NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
619951 | 5lgm | 34024 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 16 HT1 MET 16 -7.434 0.246 10.380 2 H2 MET 16 HT2 MET 16 -5.939 1.031 10.385 3 H3 MET 16 HT3 MET 16 -6.043 -0.589 10.854 4 HA MET 16 HA MET 16 -5.125 -0.430 8.664 5 HB2 MET 16 HB2 MET 16 -6.729 -1.889 7.474 6 HB3 MET 16 HB1 MET 16 -6.462 -2.390 9.133 7 HG2 MET 16 HG2 MET 16 -8.743 -2.654 8.813 8 HG3 MET 16 HG1 MET 16 -8.612 -1.125 9.675 9 HE1 MET 16 HE1 MET 16 -11.180 -2.198 8.036 10 HE2 MET 16 HE2 MET 16 -11.709 -0.713 7.247 11 HE3 MET 16 HE3 MET 16 -11.184 -0.677 8.929 12 H SER 17 HN SER 17 -7.681 1.731 9.258 13 HA SER 17 HA SER 17 -8.644 2.309 6.715 14 HB2 SER 17 HB2 SER 17 -9.674 3.165 8.767 15 HB3 SER 17 HB1 SER 17 -8.267 4.182 9.063 16 HG SER 17 HG SER 17 -9.972 4.361 6.789 17 H ASP 18 HN ASP 18 -5.864 3.720 8.435 18 HA ASP 18 HA ASP 18 -5.205 5.547 6.350 19 HB2 ASP 18 HB2 ASP 18 -3.577 4.469 8.650 20 HB3 ASP 18 HB1 ASP 18 -2.992 5.702 7.543 21 H TYR 19 HN TYR 19 -4.141 2.322 7.213 22 HA TYR 19 HA TYR 19 -1.965 2.095 5.467 23 HB2 TYR 19 HB2 TYR 19 -1.811 0.207 6.675 24 HB3 TYR 19 HB1 TYR 19 -3.472 0.370 7.218 25 HD1 TYR 19 HD1 TYR 19 -4.970 -1.291 6.684 26 HD2 TYR 19 HD2 TYR 19 -1.550 -0.775 4.208 27 HE1 TYR 19 HE1 TYR 19 -5.629 -3.255 5.368 28 HE2 TYR 19 HE2 TYR 19 -2.207 -2.731 2.888 29 HH TYR 19 HH TYR 19 -3.658 -4.369 2.636 30 H LEU 20 HN LEU 20 -5.414 1.566 4.938 31 HA LEU 20 HA LEU 20 -5.387 -0.030 2.708 32 HB2 LEU 20 HB2 LEU 20 -7.270 2.271 3.201 33 HB3 LEU 20 HB1 LEU 20 -7.558 0.918 2.121 34 HG LEU 20 HG LEU 20 -7.289 0.727 5.124 35 HD11 LEU 20 HD11 LEU 20 -9.661 0.132 5.059 36 HD12 LEU 20 HD12 LEU 20 -9.688 0.467 3.327 37 HD13 LEU 20 HD13 LEU 20 -9.369 1.769 4.473 38 HD21 LEU 20 HD21 LEU 20 -7.879 -1.382 3.052 39 HD22 LEU 20 HD22 LEU 20 -8.030 -1.602 4.795 40 HD23 LEU 20 HD23 LEU 20 -6.450 -1.279 4.083 41 H LYS 21 HN LYS 21 -5.117 3.503 2.785 42 HA LYS 21 HA LYS 21 -5.051 3.605 -0.089 43 HB2 LYS 21 HB2 LYS 21 -4.787 5.727 2.019 44 HB3 LYS 21 HB1 LYS 21 -4.584 6.056 0.301 45 HG2 LYS 21 HG2 LYS 21 -6.870 5.055 -0.043 46 HG3 LYS 21 HG1 LYS 21 -7.050 5.073 1.715 47 HD2 LYS 21 HD2 LYS 21 -8.068 7.053 0.682 48 HD3 LYS 21 HD1 LYS 21 -6.718 7.495 1.721 49 HE2 LYS 21 HE2 LYS 21 -6.719 8.768 -0.371 50 HE3 LYS 21 HE1 LYS 21 -5.278 7.772 -0.209 51 HZ1 LYS 21 HZ1 LYS 21 -6.271 6.149 -1.697 52 HZ2 LYS 21 HZ2 LYS 21 -6.191 7.667 -2.442 53 HZ3 LYS 21 HZ3 LYS 21 -7.665 7.099 -1.839 54 H VAL 22 HN VAL 22 -2.711 3.147 2.342 55 HA VAL 22 HA VAL 22 -0.587 4.672 1.429 56 HB VAL 22 HB VAL 22 -0.840 2.296 3.154 57 HG11 VAL 22 HG11 VAL 22 0.999 1.533 1.725 58 HG12 VAL 22 HG12 VAL 22 1.573 1.952 3.339 59 HG13 VAL 22 HG13 VAL 22 1.842 3.062 1.993 60 HG21 VAL 22 HG21 VAL 22 -0.914 4.391 4.188 61 HG22 VAL 22 HG22 VAL 22 0.427 5.015 3.227 62 HG23 VAL 22 HG23 VAL 22 0.729 3.814 4.495 63 H LEU 23 HN LEU 23 -1.094 1.197 0.622 64 HA LEU 23 HA LEU 23 0.899 1.367 -1.408 65 HB2 LEU 23 HB2 LEU 23 -0.455 -0.916 -2.034 66 HB3 LEU 23 HB1 LEU 23 0.930 -0.796 -0.978 67 HG LEU 23 HG LEU 23 -0.641 -0.635 0.959 68 HD11 LEU 23 HD11 LEU 23 -2.962 -1.441 0.551 69 HD12 LEU 23 HD12 LEU 23 -2.687 -1.210 -1.175 70 HD13 LEU 23 HD13 LEU 23 -2.634 0.171 -0.080 71 HD21 LEU 23 HD21 LEU 23 -0.842 -3.071 -0.805 72 HD22 LEU 23 HD22 LEU 23 -1.246 -3.021 0.909 73 HD23 LEU 23 HD23 LEU 23 0.413 -2.733 0.388 74 H GLN 24 HN GLN 24 -2.660 1.517 -1.529 75 HA GLN 24 HA GLN 24 -2.659 1.204 -4.370 76 HB2 GLN 24 HB2 GLN 24 -5.048 1.622 -4.306 77 HB3 GLN 24 HB1 GLN 24 -4.580 0.405 -3.133 78 HG2 GLN 24 HG2 GLN 24 -6.108 1.682 -1.974 79 HG3 GLN 24 HG1 GLN 24 -4.575 2.378 -1.464 80 HE21 GLN 24 HE21 GLN 24 -5.947 2.988 -4.623 81 HE22 GLN 24 HE22 GLN 24 -6.331 4.649 -4.345 82 H ALA 25 HN ALA 25 -2.393 3.959 -2.293 83 HA ALA 25 HA ALA 25 -3.678 5.863 -3.893 84 HB1 ALA 25 HB1 ALA 25 -2.420 7.549 -2.675 85 HB2 ALA 25 HB2 ALA 25 -1.333 6.306 -2.055 86 HB3 ALA 25 HB3 ALA 25 -3.032 6.307 -1.582 87 H ILE 26 HN ILE 26 -0.390 4.621 -4.001 88 HA ILE 26 HA ILE 26 0.673 6.641 -5.644 89 HB ILE 26 HB ILE 26 2.108 5.204 -4.321 90 HG12 ILE 26 HG12 ILE 26 2.617 4.850 -7.285 91 HG13 ILE 26 HG11 ILE 26 3.054 6.264 -6.334 92 HG21 ILE 26 HG21 ILE 26 2.533 2.876 -5.012 93 HG22 ILE 26 HG22 ILE 26 1.204 3.004 -6.166 94 HG23 ILE 26 HG23 ILE 26 0.888 3.139 -4.435 95 HD11 ILE 26 HD11 ILE 26 4.971 4.825 -6.731 96 HD12 ILE 26 HD12 ILE 26 4.135 3.483 -5.947 97 HD13 ILE 26 HD13 ILE 26 4.584 4.909 -5.011 98 H LYS 27 HN LYS 27 -1.061 3.669 -6.464 99 HA LYS 27 HA LYS 27 -0.236 3.657 -9.184 100 HB2 LYS 27 HB2 LYS 27 -1.810 1.894 -9.498 101 HB3 LYS 27 HB1 LYS 27 -1.063 1.651 -7.938 102 HG2 LYS 27 HG2 LYS 27 -3.173 1.290 -7.282 103 HG3 LYS 27 HG1 LYS 27 -3.235 3.050 -7.201 104 HD2 LYS 27 HD2 LYS 27 -5.170 2.384 -8.383 105 HD3 LYS 27 HD1 LYS 27 -4.050 2.999 -9.599 106 HE2 LYS 27 HE2 LYS 27 -3.360 0.680 -10.093 107 HE3 LYS 27 HE1 LYS 27 -4.539 0.101 -8.915 108 HZ1 LYS 27 HZ1 LYS 27 -5.352 0.002 -11.215 109 HZ2 LYS 27 HZ2 LYS 27 -5.211 1.683 -11.339 110 HZ3 LYS 27 HZ3 LYS 27 -6.306 1.004 -10.247 111 H SER 28 HN SER 28 -2.762 5.215 -7.402 112 HA SER 28 HA SER 28 -4.092 6.113 -9.836 113 HB2 SER 28 HB2 SER 28 -5.389 5.359 -7.799 114 HB3 SER 28 HB1 SER 28 -4.773 6.785 -6.963 115 HG SER 28 HG SER 28 -6.650 6.583 -9.018 116 H CYS 29 HN CYS 29 -2.317 7.371 -7.062 117 HA CYS 29 HA CYS 29 -1.598 9.753 -8.623 118 HB2 CYS 29 HB2 CYS 29 -3.313 10.424 -7.001 119 HB3 CYS 29 HB1 CYS 29 -2.389 9.687 -5.696 120 HG CYS 29 HG CYS 29 -2.104 12.411 -5.405 121 HA PRO 30 HA PRO 30 2.256 7.570 -7.849 122 HB2 PRO 30 HB2 PRO 30 3.316 10.151 -8.893 123 HB3 PRO 30 HB1 PRO 30 3.705 8.496 -9.371 124 HG2 PRO 30 HG2 PRO 30 2.133 10.008 -10.892 125 HG3 PRO 30 HG1 PRO 30 1.797 8.281 -10.671 126 HD2 PRO 30 HD2 PRO 30 0.435 10.648 -9.473 127 HD3 PRO 30 HD1 PRO 30 -0.242 9.087 -9.979 128 H LYS 31 HN LYS 31 3.988 7.646 -6.481 129 HA LYS 31 HA LYS 31 5.504 8.361 -4.958 130 HB2 LYS 31 HB2 LYS 31 5.412 10.572 -6.091 131 HB3 LYS 31 HB1 LYS 31 4.123 11.042 -4.995 132 HG2 LYS 31 HG2 LYS 31 5.644 10.762 -3.096 133 HG3 LYS 31 HG1 LYS 31 6.938 10.325 -4.214 134 HD2 LYS 31 HD2 LYS 31 6.694 12.532 -5.301 135 HD3 LYS 31 HD1 LYS 31 5.473 12.960 -4.102 136 HE2 LYS 31 HE2 LYS 31 8.339 12.235 -3.509 137 HE3 LYS 31 HE1 LYS 31 7.680 13.869 -3.533 138 HZ1 LYS 31 HZ1 LYS 31 6.742 11.712 -1.724 139 HZ2 LYS 31 HZ2 LYS 31 6.270 13.334 -1.691 140 HZ3 LYS 31 HZ3 LYS 31 7.853 12.906 -1.284 141 H THR 32 HN THR 32 2.117 8.571 -4.432 142 HA THR 32 HA THR 32 2.198 9.311 -1.677 143 HB THR 32 HB THR 32 -0.112 7.833 -2.861 144 HG1 THR 32 HG1 THR 32 0.036 9.312 -4.447 145 HG21 THR 32 HG21 THR 32 -1.379 9.349 -1.448 146 HG22 THR 32 HG22 THR 32 0.096 10.205 -1.004 147 HG23 THR 32 HG23 THR 32 -0.141 8.533 -0.498 148 H PHE 33 HN PHE 33 3.474 7.994 -0.503 149 HA PHE 33 HA PHE 33 3.439 6.677 1.316 150 HB2 PHE 33 HB2 PHE 33 0.750 5.850 0.263 151 HB3 PHE 33 HB1 PHE 33 1.427 5.269 1.775 152 HD1 PHE 33 HD1 PHE 33 2.724 7.925 2.599 153 HD2 PHE 33 HD2 PHE 33 -1.148 6.936 1.133 154 HE1 PHE 33 HE1 PHE 33 1.789 9.877 3.763 155 HE2 PHE 33 HE2 PHE 33 -2.088 8.889 2.293 156 HZ PHE 33 HZ PHE 33 -0.620 10.362 3.612 157 H GLN 34 HN GLN 34 3.785 5.483 -1.730 158 HA GLN 34 HA GLN 34 4.355 2.831 -0.608 159 HB2 GLN 34 HB2 GLN 34 2.533 2.761 -2.235 160 HB3 GLN 34 HB1 GLN 34 3.587 3.462 -3.454 161 HG2 GLN 34 HG2 GLN 34 5.112 1.475 -3.034 162 HG3 GLN 34 HG1 GLN 34 3.756 0.768 -2.163 163 HE21 GLN 34 HE21 GLN 34 5.035 1.656 -5.239 164 HE22 GLN 34 HE22 GLN 34 3.831 0.879 -6.205 165 H SER 35 HN SER 35 5.439 5.269 -2.901 166 HA SER 35 HA SER 35 7.621 4.163 -4.058 167 HB2 SER 35 HB2 SER 35 7.610 6.974 -2.969 168 HB3 SER 35 HB1 SER 35 8.439 6.377 -4.408 169 HG SER 35 HG SER 35 6.637 6.488 -5.508 170 H ASN 36 HN ASN 36 7.980 6.192 -1.131 171 HA ASN 36 HA ASN 36 10.340 4.556 -0.417 172 HB2 ASN 36 HB2 ASN 36 9.917 7.520 0.057 173 HB3 ASN 36 HB1 ASN 36 11.316 6.595 0.585 174 HD21 ASN 36 HD21 ASN 36 11.632 5.034 -1.778 175 HD22 ASN 36 HD22 ASN 36 12.167 6.101 -3.029 176 H TYR 37 HN TYR 37 7.304 5.623 0.417 177 HA TYR 37 HA TYR 37 7.529 6.060 3.201 178 HB2 TYR 37 HB2 TYR 37 5.726 6.855 1.640 179 HB3 TYR 37 HB1 TYR 37 5.096 5.219 1.631 180 HD1 TYR 37 HD1 TYR 37 3.571 4.528 3.276 181 HD2 TYR 37 HD2 TYR 37 5.800 8.101 3.855 182 HE1 TYR 37 HE1 TYR 37 2.137 5.102 5.185 183 HE2 TYR 37 HE2 TYR 37 4.385 8.682 5.776 184 HH TYR 37 HH TYR 37 2.350 6.526 7.300 185 H VAL 38 HN VAL 38 7.017 3.209 1.241 186 HA VAL 38 HA VAL 38 5.992 1.434 3.113 187 HB VAL 38 HB VAL 38 7.800 0.963 0.749 188 HG11 VAL 38 HG11 VAL 38 7.231 -1.431 0.949 189 HG12 VAL 38 HG12 VAL 38 6.495 -1.104 2.515 190 HG13 VAL 38 HG13 VAL 38 8.224 -0.855 2.288 191 HG21 VAL 38 HG21 VAL 38 4.868 0.514 1.256 192 HG22 VAL 38 HG22 VAL 38 5.722 0.002 -0.199 193 HG23 VAL 38 HG23 VAL 38 5.594 1.715 0.192 194 H ARG 39 HN ARG 39 9.378 2.310 2.508 195 HA ARG 39 HA ARG 39 10.520 0.317 4.118 196 HB2 ARG 39 HB2 ARG 39 11.760 1.711 2.481 197 HB3 ARG 39 HB1 ARG 39 11.640 3.065 3.598 198 HG2 ARG 39 HG2 ARG 39 13.799 2.071 3.841 199 HG3 ARG 39 HG1 ARG 39 12.850 1.714 5.281 200 HD2 ARG 39 HD2 ARG 39 12.989 -0.220 2.996 201 HD3 ARG 39 HD1 ARG 39 14.241 -0.179 4.235 202 HE ARG 39 HE ARG 39 11.780 -0.337 5.536 203 HH11 ARG 39 HH11 ARG 39 13.769 -2.252 3.400 204 HH12 ARG 39 HH12 ARG 39 13.187 -3.774 3.999 205 HH21 ARG 39 HH21 ARG 39 10.992 -2.338 6.329 206 HH22 ARG 39 HH22 ARG 39 11.589 -3.821 5.655 207 H ASN 40 HN ASN 40 9.278 3.506 4.943 208 HA ASN 40 HA ASN 40 10.256 3.292 7.666 209 HB2 ASN 40 HB2 ASN 40 10.205 5.484 6.492 210 HB3 ASN 40 HB1 ASN 40 8.447 5.390 6.453 211 HD21 ASN 40 HD21 ASN 40 8.155 7.221 7.683 212 HD22 ASN 40 HD22 ASN 40 8.521 7.278 9.374 213 H ASN 41 HN ASN 41 7.190 3.091 5.937 214 HA ASN 41 HA ASN 41 5.883 2.357 8.471 215 HB2 ASN 41 HB2 ASN 41 4.732 3.622 5.976 216 HB3 ASN 41 HB1 ASN 41 3.738 2.947 7.262 217 HD21 ASN 41 HD21 ASN 41 6.019 5.453 6.430 218 HD22 ASN 41 HD22 ASN 41 5.649 6.499 7.757 219 H ALA 42 HN ALA 42 7.279 0.379 7.453 220 HA ALA 42 HA ALA 42 6.048 -1.176 5.446 221 HB1 ALA 42 HB1 ALA 42 8.394 -1.447 6.108 222 HB2 ALA 42 HB2 ALA 42 7.512 -2.971 6.192 223 HB3 ALA 42 HB3 ALA 42 7.878 -2.082 7.670 224 H SER 43 HN SER 43 5.517 -0.890 8.891 225 HA SER 43 HA SER 43 4.109 -3.280 9.323 226 HB2 SER 43 HB2 SER 43 3.607 -0.650 10.722 227 HB3 SER 43 HB1 SER 43 3.296 -2.271 11.344 228 HG SER 43 HG SER 43 5.611 -0.826 11.312 229 H LEU 44 HN LEU 44 3.090 -0.165 8.032 230 HA LEU 44 HA LEU 44 0.306 -0.711 8.024 231 HB2 LEU 44 HB2 LEU 44 1.983 1.128 6.313 232 HB3 LEU 44 HB1 LEU 44 0.237 1.040 6.199 233 HG LEU 44 HG LEU 44 1.794 1.888 8.645 234 HD11 LEU 44 HD11 LEU 44 1.875 3.528 6.828 235 HD12 LEU 44 HD12 LEU 44 0.903 4.104 8.181 236 HD13 LEU 44 HD13 LEU 44 0.115 3.496 6.725 237 HD21 LEU 44 HD21 LEU 44 -1.172 1.795 8.120 238 HD22 LEU 44 HD22 LEU 44 -0.408 2.532 9.528 239 HD23 LEU 44 HD23 LEU 44 -0.278 0.793 9.262 240 H VAL 45 HN VAL 45 2.870 -1.127 5.650 241 HA VAL 45 HA VAL 45 1.227 -2.149 3.585 242 HB VAL 45 HB VAL 45 4.176 -2.670 3.969 243 HG11 VAL 45 HG11 VAL 45 3.113 -4.011 2.228 244 HG12 VAL 45 HG12 VAL 45 4.218 -2.823 1.534 245 HG13 VAL 45 HG13 VAL 45 2.477 -2.545 1.482 246 HG21 VAL 45 HG21 VAL 45 3.667 -0.273 4.183 247 HG22 VAL 45 HG22 VAL 45 2.858 -0.322 2.615 248 HG23 VAL 45 HG23 VAL 45 4.589 -0.636 2.726 249 H ALA 46 HN ALA 46 2.909 -3.608 6.290 250 HA ALA 46 HA ALA 46 2.778 -6.299 5.464 251 HB1 ALA 46 HB1 ALA 46 4.252 -5.544 7.259 252 HB2 ALA 46 HB2 ALA 46 3.196 -6.843 7.816 253 HB3 ALA 46 HB3 ALA 46 2.851 -5.171 8.266 254 H GLU 47 HN GLU 47 0.440 -4.191 6.962 255 HA GLU 47 HA GLU 47 -1.425 -6.053 7.896 256 HB2 GLU 47 HB2 GLU 47 -1.928 -3.352 6.637 257 HB3 GLU 47 HB1 GLU 47 -3.084 -4.256 7.596 258 HG2 GLU 47 HG2 GLU 47 -0.440 -3.231 8.595 259 HG3 GLU 47 HG1 GLU 47 -1.991 -2.433 8.838 260 H ALA 48 HN ALA 48 -0.661 -4.937 4.718 261 HA ALA 48 HA ALA 48 -2.965 -5.607 3.310 262 HB1 ALA 48 HB1 ALA 48 -0.160 -5.744 2.253 263 HB2 ALA 48 HB2 ALA 48 -1.067 -4.248 2.467 264 HB3 ALA 48 HB3 ALA 48 -1.642 -5.472 1.334 265 H ALA 49 HN ALA 49 -0.405 -7.648 4.477 266 HA ALA 49 HA ALA 49 -0.819 -9.850 2.797 267 HB1 ALA 49 HB1 ALA 49 0.276 -11.176 4.526 268 HB2 ALA 49 HB2 ALA 49 0.082 -9.854 5.674 269 HB3 ALA 49 HB3 ALA 49 1.125 -9.651 4.268 270 H SER 50 HN SER 50 -2.547 -8.656 5.563 271 HA SER 50 HA SER 50 -4.160 -10.984 5.956 272 HB2 SER 50 HB2 SER 50 -3.668 -9.274 7.728 273 HB3 SER 50 HB1 SER 50 -4.708 -8.149 6.859 274 HG SER 50 HG SER 50 -5.754 -9.305 8.587 275 H ARG 51 HN ARG 51 -4.500 -7.940 4.153 276 HA ARG 51 HA ARG 51 -7.194 -8.377 3.365 277 HB2 ARG 51 HB2 ARG 51 -5.032 -6.510 2.627 278 HB3 ARG 51 HB1 ARG 51 -6.209 -6.826 1.363 279 HG2 ARG 51 HG2 ARG 51 -6.822 -4.854 2.608 280 HG3 ARG 51 HG1 ARG 51 -8.010 -6.127 2.872 281 HD2 ARG 51 HD2 ARG 51 -5.752 -5.850 4.793 282 HD3 ARG 51 HD1 ARG 51 -7.070 -4.682 4.867 283 HE ARG 51 HE ARG 51 -8.294 -7.135 4.834 284 HH11 ARG 51 HH11 ARG 51 -5.904 -5.584 6.857 285 HH12 ARG 51 HH12 ARG 51 -6.422 -6.378 8.309 286 HH21 ARG 51 HH21 ARG 51 -8.991 -8.178 6.747 287 HH22 ARG 51 HH22 ARG 51 -8.173 -7.856 8.243 288 H GLY 52 HN GLY 52 -4.070 -9.282 1.993 289 HA2 GLY 52 HA2 GLY 52 -4.100 -11.572 1.111 290 HA3 GLY 52 HA1 GLY 52 -5.594 -11.159 0.298 291 H HIS 53 HN HIS 53 -3.541 -8.507 -0.049 292 HA HIS 53 HA HIS 53 -2.281 -9.646 -2.421 293 HB2 HIS 53 HB2 HIS 53 -4.445 -7.618 -2.468 294 HB3 HIS 53 HB1 HIS 53 -3.125 -7.433 -3.620 295 HD1 HIS 53 HD1 HIS 53 -6.088 -9.570 -2.847 296 HD2 HIS 53 HD2 HIS 53 -2.951 -9.449 -5.578 297 HE1 HIS 53 HE1 HIS 53 -6.701 -11.204 -4.654 298 HE2 HIS 53 HE2 HIS 53 -4.758 -11.175 -6.253 299 H ILE 54 HN ILE 54 -0.307 -9.016 -2.702 300 HA ILE 54 HA ILE 54 0.567 -6.309 -2.379 301 HB ILE 54 HB ILE 54 2.597 -7.379 -0.938 302 HG12 ILE 54 HG12 ILE 54 0.074 -8.600 0.202 303 HG13 ILE 54 HG11 ILE 54 1.391 -9.486 -0.561 304 HG21 ILE 54 HG21 ILE 54 1.648 -6.162 0.999 305 HG22 ILE 54 HG22 ILE 54 0.156 -5.957 0.079 306 HG23 ILE 54 HG23 ILE 54 1.659 -5.239 -0.504 307 HD11 ILE 54 HD11 ILE 54 1.535 -9.645 1.844 308 HD12 ILE 54 HD12 ILE 54 1.563 -7.887 1.981 309 HD13 ILE 54 HD13 ILE 54 2.904 -8.732 1.210 310 H SER 55 HN SER 55 2.924 -6.119 -2.939 311 HA SER 55 HA SER 55 4.101 -8.400 -4.289 312 HB2 SER 55 HB2 SER 55 2.704 -7.325 -6.034 313 HB3 SER 55 HB1 SER 55 3.550 -5.803 -5.754 314 HG SER 55 HG SER 55 4.316 -7.991 -7.200 315 H CYS 56 HN CYS 56 6.329 -8.324 -4.184 316 HA CYS 56 HA CYS 56 7.434 -5.957 -2.822 317 HB2 CYS 56 HB2 CYS 56 9.176 -7.552 -1.966 318 HB3 CYS 56 HB1 CYS 56 7.544 -7.881 -1.393 319 HG CYS 56 HG CYS 56 8.669 -9.538 -4.133 320 H ALA 57 HN ALA 57 8.999 -4.826 -3.779 321 HA ALA 57 HA ALA 57 9.956 -5.691 -6.372 322 HB1 ALA 57 HB1 ALA 57 10.948 -3.467 -6.531 323 HB2 ALA 57 HB2 ALA 57 10.502 -3.143 -4.855 324 HB3 ALA 57 HB3 ALA 57 9.247 -3.379 -6.073 325 H THR 58 HN THR 58 11.570 -4.555 -3.362 326 HA THR 58 HA THR 58 13.466 -6.700 -3.657 327 HB THR 58 HB THR 58 14.593 -3.916 -3.520 328 HG1 THR 58 HG1 THR 58 13.701 -5.323 -5.644 329 HG21 THR 58 HG21 THR 58 15.987 -5.623 -2.475 330 HG22 THR 58 HG22 THR 58 16.715 -5.052 -3.977 331 HG23 THR 58 HG23 THR 58 15.885 -6.608 -3.934 332 H THR 59 HN THR 59 12.208 -4.088 -1.813 333 HA THR 59 HA THR 59 12.013 -3.640 0.389 334 HB THR 59 HB THR 59 12.380 -6.553 1.003 335 HG1 THR 59 HG1 THR 59 10.588 -7.050 -0.064 336 HG21 THR 59 HG21 THR 59 10.409 -4.471 1.968 337 HG22 THR 59 HG22 THR 59 11.885 -4.930 2.815 338 HG23 THR 59 HG23 THR 59 10.591 -6.111 2.594 339 H SER 60 HN SER 60 14.868 -4.030 -0.775 340 HA SER 60 HA SER 60 16.337 -4.628 1.645 341 HB2 SER 60 HB2 SER 60 17.357 -3.685 -1.041 342 HB3 SER 60 HB1 SER 60 18.340 -4.305 0.284 343 HG SER 60 HG SER 60 16.572 -6.147 -0.076 344 H GLY 61 HN GLY 61 16.503 -1.895 -0.615 345 HA2 GLY 61 HA2 GLY 61 17.106 -0.119 1.622 346 HA3 GLY 61 HA1 GLY 61 17.202 0.290 -0.085 347 H ARG 62 HN ARG 62 15.961 2.101 -0.085 348 HA ARG 62 HA ARG 62 13.124 1.689 0.586 349 HB2 ARG 62 HB2 ARG 62 13.028 4.104 1.186 350 HB3 ARG 62 HB1 ARG 62 14.043 3.150 2.254 351 HG2 ARG 62 HG2 ARG 62 16.024 3.938 0.977 352 HG3 ARG 62 HG1 ARG 62 14.951 5.011 0.073 353 HD2 ARG 62 HD2 ARG 62 16.045 6.181 1.921 354 HD3 ARG 62 HD1 ARG 62 14.296 6.114 2.142 355 HE ARG 62 HE ARG 62 15.582 3.938 3.448 356 HH11 ARG 62 HH11 ARG 62 14.993 7.376 3.744 357 HH12 ARG 62 HH12 ARG 62 15.060 7.367 5.478 358 HH21 ARG 62 HH21 ARG 62 15.643 3.914 5.736 359 HH22 ARG 62 HH22 ARG 62 15.418 5.395 6.611 360 H ASN 63 HN ASN 63 15.303 2.255 -1.845 361 HA ASN 63 HA ASN 63 13.553 4.000 -3.400 362 HB2 ASN 63 HB2 ASN 63 15.956 4.494 -3.422 363 HB3 ASN 63 HB1 ASN 63 16.296 2.878 -4.030 364 HD21 ASN 63 HD21 ASN 63 15.133 6.041 -4.794 365 HD22 ASN 63 HD22 ASN 63 15.086 5.835 -6.512 366 H GLY 64 HN GLY 64 15.419 1.083 -4.238 367 HA2 GLY 64 HA2 GLY 64 13.228 0.223 -5.968 368 HA3 GLY 64 HA1 GLY 64 14.845 -0.465 -5.921 369 H GLY 65 HN GLY 65 14.664 -0.499 -2.920 370 HA2 GLY 65 HA2 GLY 65 13.306 -3.075 -2.746 371 HA3 GLY 65 HA1 GLY 65 14.335 -2.353 -1.515 372 H ALA 66 HN ALA 66 11.307 -1.656 -3.194 373 HA ALA 66 HA ALA 66 10.041 -1.189 -0.578 374 HB1 ALA 66 HB1 ALA 66 10.321 0.931 -1.782 375 HB2 ALA 66 HB2 ALA 66 8.618 0.498 -1.632 376 HB3 ALA 66 HB3 ALA 66 9.457 0.258 -3.163 377 H TRP 67 HN TRP 67 7.569 -1.401 -0.839 378 HA TRP 67 HA TRP 67 7.015 -3.791 -2.435 379 HB2 TRP 67 HB2 TRP 67 5.556 -2.477 -0.139 380 HB3 TRP 67 HB1 TRP 67 4.825 -3.753 -1.105 381 HD1 TRP 67 HD1 TRP 67 7.951 -3.241 1.144 382 HE1 TRP 67 HE1 TRP 67 8.499 -5.493 2.260 383 HE3 TRP 67 HE3 TRP 67 4.417 -6.161 -1.123 384 HZ2 TRP 67 HZ2 TRP 67 7.563 -8.149 2.189 385 HZ3 TRP 67 HZ3 TRP 67 4.314 -8.549 -0.541 386 HH2 TRP 67 HH2 TRP 67 5.852 -9.519 1.079 387 H GLU 68 HN GLU 68 4.961 -3.856 -3.613 388 HA GLU 68 HA GLU 68 3.865 -1.239 -4.313 389 HB2 GLU 68 HB2 GLU 68 4.002 -1.616 -6.669 390 HB3 GLU 68 HB1 GLU 68 5.613 -1.872 -6.013 391 HG2 GLU 68 HG2 GLU 68 5.270 -4.280 -6.090 392 HG3 GLU 68 HG1 GLU 68 3.641 -4.028 -6.720 393 H ILE 69 HN ILE 69 1.760 -1.362 -5.221 394 HA ILE 69 HA ILE 69 0.266 -3.622 -4.191 395 HB ILE 69 HB ILE 69 -0.477 -1.284 -3.796 396 HG12 ILE 69 HG12 ILE 69 -2.355 -3.051 -5.371 397 HG13 ILE 69 HG11 ILE 69 -2.076 -3.112 -3.636 398 HG21 ILE 69 HG21 ILE 69 -1.533 -0.033 -5.615 399 HG22 ILE 69 HG22 ILE 69 -1.042 -1.288 -6.753 400 HG23 ILE 69 HG23 ILE 69 0.179 -0.321 -5.926 401 HD11 ILE 69 HD11 ILE 69 -3.317 -0.830 -5.143 402 HD12 ILE 69 HD12 ILE 69 -3.046 -0.897 -3.400 403 HD13 ILE 69 HD13 ILE 69 -4.171 -2.022 -4.163 404 H THR 70 HN THR 70 -1.053 -4.953 -5.406 405 HA THR 70 HA THR 70 -0.511 -5.114 -8.244 406 HB THR 70 HB THR 70 -1.957 -7.127 -8.163 407 HG1 THR 70 HG1 THR 70 -3.356 -7.165 -6.571 408 HG21 THR 70 HG21 THR 70 0.431 -7.371 -7.712 409 HG22 THR 70 HG22 THR 70 -0.501 -8.501 -6.729 410 HG23 THR 70 HG23 THR 70 0.156 -7.033 -6.003 411 H ALA 71 HN ALA 71 -2.345 -5.170 -9.809 412 HA ALA 71 HA ALA 71 -3.869 -2.866 -9.726 413 HB1 ALA 71 HB1 ALA 71 -4.538 -5.393 -11.229 414 HB2 ALA 71 HB2 ALA 71 -3.402 -4.154 -11.764 415 HB3 ALA 71 HB3 ALA 71 -5.116 -3.768 -11.602 416 H SER 72 HN SER 72 -4.696 -6.086 -8.646 417 HA SER 72 HA SER 72 -7.453 -5.744 -8.288 418 HB2 SER 72 HB2 SER 72 -6.982 -7.708 -6.594 419 HB3 SER 72 HB1 SER 72 -6.791 -7.955 -8.329 420 HG SER 72 HG SER 72 -4.758 -8.322 -8.000 421 H GLY 73 HN GLY 73 -4.742 -4.925 -6.177 422 HA2 GLY 73 HA2 GLY 73 -6.081 -5.141 -3.717 423 HA3 GLY 73 HA1 GLY 73 -4.642 -4.181 -4.015 424 H THR 74 HN THR 74 -5.870 -2.534 -6.022 425 HA THR 74 HA THR 74 -6.592 -0.393 -4.392 426 HB THR 74 HB THR 74 -7.211 -0.692 -7.332 427 HG1 THR 74 HG1 THR 74 -4.837 -0.682 -6.015 428 HG21 THR 74 HG21 THR 74 -6.612 1.734 -5.632 429 HG22 THR 74 HG22 THR 74 -8.184 1.298 -6.300 430 HG23 THR 74 HG23 THR 74 -6.859 1.742 -7.378 431 H ARG 75 HN ARG 75 -8.603 -2.821 -5.959 432 HA ARG 75 HA ARG 75 -10.968 -1.198 -5.945 433 HB2 ARG 75 HB2 ARG 75 -10.771 -4.192 -6.276 434 HB3 ARG 75 HB1 ARG 75 -12.107 -3.161 -6.763 435 HG2 ARG 75 HG2 ARG 75 -10.705 -2.097 -8.437 436 HG3 ARG 75 HG1 ARG 75 -9.333 -3.087 -7.929 437 HD2 ARG 75 HD2 ARG 75 -10.695 -5.109 -8.484 438 HD3 ARG 75 HD1 ARG 75 -11.911 -4.031 -9.167 439 HE ARG 75 HE ARG 75 -9.550 -3.355 -10.407 440 HH11 ARG 75 HH11 ARG 75 -11.532 -6.221 -10.112 441 HH12 ARG 75 HH12 ARG 75 -11.019 -6.887 -11.630 442 HH21 ARG 75 HH21 ARG 75 -8.868 -4.221 -12.402 443 HH22 ARG 75 HH22 ARG 75 -9.514 -5.737 -12.942 444 H PHE 76 HN PHE 76 -10.119 -4.186 -4.157 445 HA PHE 76 HA PHE 76 -12.462 -3.940 -2.541 446 HB2 PHE 76 HB2 PHE 76 -11.361 -5.882 -1.242 447 HB3 PHE 76 HB1 PHE 76 -11.946 -6.150 -2.870 448 HD1 PHE 76 HD1 PHE 76 -8.925 -5.552 -0.864 449 HD2 PHE 76 HD2 PHE 76 -10.496 -6.920 -4.571 450 HE1 PHE 76 HE1 PHE 76 -6.705 -6.388 -1.489 451 HE2 PHE 76 HE2 PHE 76 -8.274 -7.770 -5.202 452 HZ PHE 76 HZ PHE 76 -6.436 -7.626 -3.697 453 H LEU 77 HN LEU 77 -9.029 -3.449 -1.918 454 HA LEU 77 HA LEU 77 -9.379 -3.266 0.879 455 HB2 LEU 77 HB2 LEU 77 -7.212 -3.691 0.746 456 HB3 LEU 77 HB1 LEU 77 -7.213 -3.328 -0.971 457 HG LEU 77 HG LEU 77 -7.163 -0.983 0.804 458 HD11 LEU 77 HD11 LEU 77 -4.769 -1.229 1.262 459 HD12 LEU 77 HD12 LEU 77 -4.808 -2.851 0.573 460 HD13 LEU 77 HD13 LEU 77 -5.712 -2.496 2.044 461 HD21 LEU 77 HD21 LEU 77 -5.557 -1.811 -1.610 462 HD22 LEU 77 HD22 LEU 77 -5.525 -0.224 -0.841 463 HD23 LEU 77 HD23 LEU 77 -6.999 -0.795 -1.623 464 H LYS 78 HN LYS 78 -9.117 -0.784 -1.649 465 HA LYS 78 HA LYS 78 -8.871 1.383 0.170 466 HB2 LYS 78 HB2 LYS 78 -8.170 1.542 -2.181 467 HB3 LYS 78 HB1 LYS 78 -9.851 1.412 -2.684 468 HG2 LYS 78 HG2 LYS 78 -10.320 3.496 -1.393 469 HG3 LYS 78 HG1 LYS 78 -8.584 3.646 -1.118 470 HD2 LYS 78 HD2 LYS 78 -9.276 5.024 -2.994 471 HD3 LYS 78 HD1 LYS 78 -8.213 3.725 -3.534 472 HE2 LYS 78 HE2 LYS 78 -10.043 2.478 -4.406 473 HE3 LYS 78 HE1 LYS 78 -11.216 3.542 -3.634 474 HZ1 LYS 78 HZ1 LYS 78 -10.986 3.959 -6.019 475 HZ2 LYS 78 HZ2 LYS 78 -9.358 4.355 -5.799 476 HZ3 LYS 78 HZ3 LYS 78 -10.561 5.315 -5.102 477 H ARG 79 HN ARG 79 -11.582 -0.354 -1.124 478 HA ARG 79 HA ARG 79 -13.515 1.684 -0.541 479 HB2 ARG 79 HB2 ARG 79 -15.139 0.233 -1.399 480 HB3 ARG 79 HB1 ARG 79 -13.698 -0.150 -2.328 481 HG2 ARG 79 HG2 ARG 79 -13.316 -2.035 -0.684 482 HG3 ARG 79 HG1 ARG 79 -14.954 -1.726 -0.109 483 HD2 ARG 79 HD2 ARG 79 -14.124 -2.512 -2.901 484 HD3 ARG 79 HD1 ARG 79 -15.004 -3.505 -1.742 485 HE ARG 79 HE ARG 79 -16.329 -1.035 -2.413 486 HH11 ARG 79 HH11 ARG 79 -15.901 -4.408 -3.288 487 HH12 ARG 79 HH12 ARG 79 -17.385 -4.488 -4.178 488 HH21 ARG 79 HH21 ARG 79 -18.256 -1.140 -3.603 489 HH22 ARG 79 HH22 ARG 79 -18.721 -2.627 -4.366 490 H MET 80 HN MET 80 -11.870 -0.600 1.315 491 HA MET 80 HA MET 80 -13.902 -1.194 3.244 492 HB2 MET 80 HB2 MET 80 -10.892 -1.407 3.448 493 HB3 MET 80 HB1 MET 80 -12.032 -2.074 4.604 494 HG2 MET 80 HG2 MET 80 -12.889 -3.593 2.940 495 HG3 MET 80 HG1 MET 80 -11.853 -2.870 1.710 496 HE1 MET 80 HE1 MET 80 -10.234 -6.398 2.225 497 HE2 MET 80 HE2 MET 80 -10.894 -5.257 1.054 498 HE3 MET 80 HE3 MET 80 -11.949 -5.994 2.259 499 H GLY 81 HN GLY 81 -12.842 1.705 2.568 500 HA2 GLY 81 HA2 GLY 81 -13.356 3.538 4.053 501 HA3 GLY 81 HA1 GLY 81 -12.810 2.541 5.395 502 H GLY 82 HN GLY 82 -11.246 3.145 2.274 503 HA2 GLY 82 HA2 GLY 82 -8.691 3.444 3.397 504 HA3 GLY 82 HA1 GLY 82 -9.148 3.913 1.769 505 H CYS 83 HN CYS 83 -8.162 4.954 4.777 506 HA CYS 83 HA CYS 83 -7.703 6.957 5.699 507 HB2 CYS 83 HB2 CYS 83 -6.810 7.662 3.589 508 HB3 CYS 83 HB1 CYS 83 -8.417 8.004 2.957 509 HG CYS 83 HG CYS 83 -7.912 9.761 5.696 510 H VAL 84 HN VAL 84 -10.584 7.444 3.652 511 HA VAL 84 HA VAL 84 -12.645 8.256 4.077 512 HB VAL 84 HB VAL 84 -12.040 7.589 6.966 513 HG11 VAL 84 HG11 VAL 84 -13.846 9.218 6.784 514 HG12 VAL 84 HG12 VAL 84 -14.471 7.643 7.279 515 HG13 VAL 84 HG13 VAL 84 -14.670 8.188 5.613 516 HG21 VAL 84 HG21 VAL 84 -13.391 5.579 6.532 517 HG22 VAL 84 HG22 VAL 84 -11.944 5.633 5.525 518 HG23 VAL 84 HG23 VAL 84 -13.514 6.041 4.834 Start of MODEL 2 1 H1 MET 16 HT1 MET 16 -6.492 0.946 10.609 2 H2 MET 16 HT2 MET 16 -4.938 1.402 10.142 3 H3 MET 16 HT3 MET 16 -5.183 -0.074 10.926 4 HA MET 16 HA MET 16 -4.841 -0.481 8.602 5 HB2 MET 16 HB2 MET 16 -7.765 -0.784 9.329 6 HB3 MET 16 HB1 MET 16 -6.912 -1.681 8.083 7 HG2 MET 16 HG2 MET 16 -5.483 -2.692 9.779 8 HG3 MET 16 HG1 MET 16 -6.327 -1.785 11.031 9 HE1 MET 16 HE1 MET 16 -5.981 -4.861 11.309 10 HE2 MET 16 HE2 MET 16 -7.606 -5.375 11.758 11 HE3 MET 16 HE3 MET 16 -6.926 -3.899 12.443 12 H SER 17 HN SER 17 -7.244 2.004 9.257 13 HA SER 17 HA SER 17 -8.221 2.384 6.674 14 HB2 SER 17 HB2 SER 17 -7.871 4.473 8.833 15 HB3 SER 17 HB1 SER 17 -8.985 4.554 7.468 16 HG SER 17 HG SER 17 -10.006 3.842 9.396 17 H ASP 18 HN ASP 18 -5.416 3.857 8.280 18 HA ASP 18 HA ASP 18 -4.754 5.631 6.165 19 HB2 ASP 18 HB2 ASP 18 -2.937 4.403 8.253 20 HB3 ASP 18 HB1 ASP 18 -2.536 5.779 7.237 21 H TYR 19 HN TYR 19 -3.846 2.366 6.987 22 HA TYR 19 HA TYR 19 -1.755 1.999 5.170 23 HB2 TYR 19 HB2 TYR 19 -1.646 0.153 6.451 24 HB3 TYR 19 HB1 TYR 19 -3.294 0.387 7.009 25 HD1 TYR 19 HD1 TYR 19 -4.887 -1.204 6.495 26 HD2 TYR 19 HD2 TYR 19 -1.416 -0.928 4.051 27 HE1 TYR 19 HE1 TYR 19 -5.625 -3.173 5.228 28 HE2 TYR 19 HE2 TYR 19 -2.149 -2.892 2.786 29 HH TYR 19 HH TYR 19 -3.684 -4.442 2.541 30 H LEU 20 HN LEU 20 -5.228 1.638 4.812 31 HA LEU 20 HA LEU 20 -5.388 0.062 2.567 32 HB2 LEU 20 HB2 LEU 20 -7.152 2.419 3.212 33 HB3 LEU 20 HB1 LEU 20 -7.557 1.095 2.135 34 HG LEU 20 HG LEU 20 -7.088 0.835 5.109 35 HD11 LEU 20 HD11 LEU 20 -9.142 2.015 4.668 36 HD12 LEU 20 HD12 LEU 20 -9.501 0.373 5.202 37 HD13 LEU 20 HD13 LEU 20 -9.626 0.792 3.494 38 HD21 LEU 20 HD21 LEU 20 -7.987 -1.437 4.797 39 HD22 LEU 20 HD22 LEU 20 -6.458 -1.188 3.957 40 HD23 LEU 20 HD23 LEU 20 -7.973 -1.181 3.052 41 H LYS 21 HN LYS 21 -5.041 3.602 2.658 42 HA LYS 21 HA LYS 21 -4.974 3.682 -0.223 43 HB2 LYS 21 HB2 LYS 21 -4.613 5.871 1.813 44 HB3 LYS 21 HB1 LYS 21 -4.630 6.116 0.070 45 HG2 LYS 21 HG2 LYS 21 -6.919 5.018 0.089 46 HG3 LYS 21 HG1 LYS 21 -6.874 5.196 1.844 47 HD2 LYS 21 HD2 LYS 21 -8.057 7.071 0.939 48 HD3 LYS 21 HD1 LYS 21 -6.487 7.643 1.506 49 HE2 LYS 21 HE2 LYS 21 -5.633 7.585 -0.780 50 HE3 LYS 21 HE1 LYS 21 -7.181 6.972 -1.354 51 HZ1 LYS 21 HZ1 LYS 21 -8.222 9.029 -0.615 52 HZ2 LYS 21 HZ2 LYS 21 -6.985 9.346 -1.722 53 HZ3 LYS 21 HZ3 LYS 21 -6.730 9.610 -0.072 54 H VAL 22 HN VAL 22 -2.660 3.263 2.241 55 HA VAL 22 HA VAL 22 -0.442 4.653 1.356 56 HB VAL 22 HB VAL 22 -0.699 2.003 2.756 57 HG11 VAL 22 HG11 VAL 22 1.920 3.384 2.158 58 HG12 VAL 22 HG12 VAL 22 1.362 1.899 1.388 59 HG13 VAL 22 HG13 VAL 22 1.691 1.920 3.120 60 HG21 VAL 22 HG21 VAL 22 0.286 3.298 4.614 61 HG22 VAL 22 HG22 VAL 22 -1.238 3.972 4.035 62 HG23 VAL 22 HG23 VAL 22 0.289 4.728 3.579 63 H LEU 23 HN LEU 23 -1.173 1.251 0.493 64 HA LEU 23 HA LEU 23 0.885 1.239 -1.467 65 HB2 LEU 23 HB2 LEU 23 -0.768 -0.899 -2.091 66 HB3 LEU 23 HB1 LEU 23 0.712 -0.931 -1.160 67 HG LEU 23 HG LEU 23 -0.689 -0.576 0.900 68 HD11 LEU 23 HD11 LEU 23 -3.065 -1.149 0.724 69 HD12 LEU 23 HD12 LEU 23 -2.930 -1.141 -1.033 70 HD13 LEU 23 HD13 LEU 23 -2.678 0.348 -0.120 71 HD21 LEU 23 HD21 LEU 23 -1.470 -2.925 0.936 72 HD22 LEU 23 HD22 LEU 23 0.179 -2.751 0.341 73 HD23 LEU 23 HD23 LEU 23 -1.142 -3.030 -0.792 74 H GLN 24 HN GLN 24 -2.663 1.511 -1.741 75 HA GLN 24 HA GLN 24 -2.539 1.236 -4.579 76 HB2 GLN 24 HB2 GLN 24 -4.932 1.706 -4.579 77 HB3 GLN 24 HB1 GLN 24 -4.496 0.441 -3.453 78 HG2 GLN 24 HG2 GLN 24 -6.027 1.668 -2.251 79 HG3 GLN 24 HG1 GLN 24 -4.500 2.347 -1.696 80 HE21 GLN 24 HE21 GLN 24 -5.887 3.048 -4.837 81 HE22 GLN 24 HE22 GLN 24 -6.280 4.696 -4.505 82 H ALA 25 HN ALA 25 -2.404 3.984 -2.461 83 HA ALA 25 HA ALA 25 -3.513 5.922 -4.128 84 HB1 ALA 25 HB1 ALA 25 -2.357 7.566 -2.828 85 HB2 ALA 25 HB2 ALA 25 -1.228 6.352 -2.229 86 HB3 ALA 25 HB3 ALA 25 -2.929 6.281 -1.763 87 H ILE 26 HN ILE 26 -0.036 5.089 -3.813 88 HA ILE 26 HA ILE 26 0.917 6.763 -5.784 89 HB ILE 26 HB ILE 26 2.432 5.511 -4.371 90 HG12 ILE 26 HG12 ILE 26 2.787 4.812 -7.292 91 HG13 ILE 26 HG11 ILE 26 3.302 6.303 -6.513 92 HG21 ILE 26 HG21 ILE 26 1.221 3.439 -4.151 93 HG22 ILE 26 HG22 ILE 26 2.849 3.110 -4.745 94 HG23 ILE 26 HG23 ILE 26 1.481 3.070 -5.857 95 HD11 ILE 26 HD11 ILE 26 4.350 3.551 -5.911 96 HD12 ILE 26 HD12 ILE 26 4.874 5.051 -5.145 97 HD13 ILE 26 HD13 ILE 26 5.165 4.791 -6.865 98 H LYS 27 HN LYS 27 -0.825 3.764 -6.137 99 HA LYS 27 HA LYS 27 -0.325 3.487 -8.940 100 HB2 LYS 27 HB2 LYS 27 -0.880 1.417 -8.250 101 HB3 LYS 27 HB1 LYS 27 -1.776 2.020 -6.864 102 HG2 LYS 27 HG2 LYS 27 -3.745 2.294 -8.140 103 HG3 LYS 27 HG1 LYS 27 -2.878 2.053 -9.660 104 HD2 LYS 27 HD2 LYS 27 -2.457 -0.264 -9.077 105 HD3 LYS 27 HD1 LYS 27 -3.218 -0.027 -7.501 106 HE2 LYS 27 HE2 LYS 27 -4.765 -1.116 -9.014 107 HE3 LYS 27 HE1 LYS 27 -5.338 0.500 -8.618 108 HZ1 LYS 27 HZ1 LYS 27 -4.491 1.287 -10.734 109 HZ2 LYS 27 HZ2 LYS 27 -5.583 0.022 -10.973 110 HZ3 LYS 27 HZ3 LYS 27 -3.923 -0.258 -11.117 111 H SER 28 HN SER 28 -3.079 4.670 -7.007 112 HA SER 28 HA SER 28 -4.495 5.277 -9.487 113 HB2 SER 28 HB2 SER 28 -5.440 5.262 -6.619 114 HB3 SER 28 HB1 SER 28 -6.463 5.594 -8.019 115 HG SER 28 HG SER 28 -5.297 3.392 -8.643 116 H CYS 29 HN CYS 29 -3.546 7.012 -6.497 117 HA CYS 29 HA CYS 29 -3.766 9.530 -7.955 118 HB2 CYS 29 HB2 CYS 29 -6.004 9.153 -6.987 119 HB3 CYS 29 HB1 CYS 29 -5.285 9.000 -5.390 120 HG CYS 29 HG CYS 29 -5.548 11.812 -7.304 121 HA PRO 30 HA PRO 30 -0.026 9.900 -5.599 122 HB2 PRO 30 HB2 PRO 30 0.763 12.309 -6.520 123 HB3 PRO 30 HB1 PRO 30 0.827 10.846 -7.508 124 HG2 PRO 30 HG2 PRO 30 -1.227 13.026 -7.481 125 HG3 PRO 30 HG1 PRO 30 -0.477 12.215 -8.869 126 HD2 PRO 30 HD2 PRO 30 -2.945 11.566 -7.938 127 HD3 PRO 30 HD1 PRO 30 -1.867 10.389 -8.712 128 H LYS 31 HN LYS 31 -2.627 10.855 -4.366 129 HA LYS 31 HA LYS 31 -1.876 13.186 -2.847 130 HB2 LYS 31 HB2 LYS 31 -4.252 12.601 -3.281 131 HB3 LYS 31 HB1 LYS 31 -4.053 11.141 -2.325 132 HG2 LYS 31 HG2 LYS 31 -3.608 12.483 -0.342 133 HG3 LYS 31 HG1 LYS 31 -3.771 13.957 -1.294 134 HD2 LYS 31 HD2 LYS 31 -5.944 11.901 -0.890 135 HD3 LYS 31 HD1 LYS 31 -5.806 13.418 -0.001 136 HE2 LYS 31 HE2 LYS 31 -6.162 13.154 -2.985 137 HE3 LYS 31 HE1 LYS 31 -7.431 13.558 -1.835 138 HZ1 LYS 31 HZ1 LYS 31 -6.220 15.567 -1.253 139 HZ2 LYS 31 HZ2 LYS 31 -6.553 15.530 -2.911 140 HZ3 LYS 31 HZ3 LYS 31 -4.996 15.179 -2.353 141 H THR 32 HN THR 32 -1.642 9.757 -2.621 142 HA THR 32 HA THR 32 0.186 10.015 -0.349 143 HB THR 32 HB THR 32 -1.834 7.765 -0.597 144 HG1 THR 32 HG1 THR 32 -1.959 10.257 0.719 145 HG21 THR 32 HG21 THR 32 0.112 7.117 0.679 146 HG22 THR 32 HG22 THR 32 -1.231 7.379 1.792 147 HG23 THR 32 HG23 THR 32 0.029 8.602 1.628 148 H PHE 33 HN PHE 33 1.615 7.933 -0.293 149 HA PHE 33 HA PHE 33 1.816 6.662 -2.886 150 HB2 PHE 33 HB2 PHE 33 4.066 7.336 -3.315 151 HB3 PHE 33 HB1 PHE 33 3.127 8.797 -3.040 152 HD1 PHE 33 HD1 PHE 33 6.124 7.201 -2.308 153 HD2 PHE 33 HD2 PHE 33 3.096 9.562 -0.476 154 HE1 PHE 33 HE1 PHE 33 7.722 7.897 -0.575 155 HE2 PHE 33 HE2 PHE 33 4.692 10.268 1.258 156 HZ PHE 33 HZ PHE 33 7.008 9.434 1.210 157 H GLN 34 HN GLN 34 3.695 5.076 -2.852 158 HA GLN 34 HA GLN 34 3.717 3.840 -0.191 159 HB2 GLN 34 HB2 GLN 34 2.203 2.680 -1.671 160 HB3 GLN 34 HB1 GLN 34 3.458 2.514 -2.885 161 HG2 GLN 34 HG2 GLN 34 4.749 1.136 -1.306 162 HG3 GLN 34 HG1 GLN 34 3.411 1.249 -0.165 163 HE21 GLN 34 HE21 GLN 34 3.194 -1.002 -0.194 164 HE22 GLN 34 HE22 GLN 34 2.455 -1.823 -1.520 165 H SER 35 HN SER 35 5.601 4.624 -3.022 166 HA SER 35 HA SER 35 7.615 2.834 -3.106 167 HB2 SER 35 HB2 SER 35 7.842 5.827 -3.404 168 HB3 SER 35 HB1 SER 35 9.078 4.679 -3.925 169 HG SER 35 HG SER 35 7.603 5.319 -5.607 170 H ASN 36 HN ASN 36 8.396 5.913 -1.467 171 HA ASN 36 HA ASN 36 10.410 4.513 0.077 172 HB2 ASN 36 HB2 ASN 36 9.647 7.425 -0.151 173 HB3 ASN 36 HB1 ASN 36 10.844 6.854 1.006 174 HD21 ASN 36 HD21 ASN 36 12.424 8.109 -0.001 175 HD22 ASN 36 HD22 ASN 36 13.140 7.635 -1.504 176 H TYR 37 HN TYR 37 7.212 5.221 0.348 177 HA TYR 37 HA TYR 37 6.930 5.886 3.084 178 HB2 TYR 37 HB2 TYR 37 5.279 5.979 1.003 179 HB3 TYR 37 HB1 TYR 37 4.801 4.399 1.615 180 HD1 TYR 37 HD1 TYR 37 3.480 4.191 3.606 181 HD2 TYR 37 HD2 TYR 37 4.960 7.991 2.398 182 HE1 TYR 37 HE1 TYR 37 1.977 5.286 5.218 183 HE2 TYR 37 HE2 TYR 37 3.467 9.093 4.005 184 HH TYR 37 HH TYR 37 1.910 7.493 6.482 185 H VAL 38 HN VAL 38 7.171 2.884 1.319 186 HA VAL 38 HA VAL 38 6.217 1.067 3.202 187 HB VAL 38 HB VAL 38 8.339 0.771 1.080 188 HG11 VAL 38 HG11 VAL 38 7.051 -1.450 2.666 189 HG12 VAL 38 HG12 VAL 38 8.701 -0.874 2.902 190 HG13 VAL 38 HG13 VAL 38 8.238 -1.615 1.371 191 HG21 VAL 38 HG21 VAL 38 6.006 1.213 0.381 192 HG22 VAL 38 HG22 VAL 38 5.515 -0.260 1.218 193 HG23 VAL 38 HG23 VAL 38 6.612 -0.351 -0.157 194 H ARG 39 HN ARG 39 9.525 2.312 2.779 195 HA ARG 39 HA ARG 39 10.656 0.637 4.756 196 HB2 ARG 39 HB2 ARG 39 11.630 2.389 2.866 197 HB3 ARG 39 HB1 ARG 39 12.016 3.193 4.377 198 HG2 ARG 39 HG2 ARG 39 13.897 1.892 3.813 199 HG3 ARG 39 HG1 ARG 39 13.085 1.045 5.128 200 HD2 ARG 39 HD2 ARG 39 12.692 0.371 2.212 201 HD3 ARG 39 HD1 ARG 39 13.897 -0.405 3.236 202 HE ARG 39 HE ARG 39 10.985 -0.579 3.670 203 HH11 ARG 39 HH11 ARG 39 14.209 -1.945 3.907 204 HH12 ARG 39 HH12 ARG 39 13.653 -3.457 4.543 205 HH21 ARG 39 HH21 ARG 39 10.266 -2.589 4.519 206 HH22 ARG 39 HH22 ARG 39 11.427 -3.822 4.886 207 H ASN 40 HN ASN 40 8.968 3.661 4.928 208 HA ASN 40 HA ASN 40 9.772 4.166 7.667 209 HB2 ASN 40 HB2 ASN 40 7.794 5.546 5.849 210 HB3 ASN 40 HB1 ASN 40 8.102 6.044 7.510 211 HD21 ASN 40 HD21 ASN 40 10.065 6.982 8.031 212 HD22 ASN 40 HD22 ASN 40 11.129 7.615 6.822 213 H ASN 41 HN ASN 41 6.940 3.002 5.930 214 HA ASN 41 HA ASN 41 5.647 2.434 8.513 215 HB2 ASN 41 HB2 ASN 41 4.343 3.370 5.949 216 HB3 ASN 41 HB1 ASN 41 3.466 2.823 7.374 217 HD21 ASN 41 HD21 ASN 41 5.405 5.338 5.996 218 HD22 ASN 41 HD22 ASN 41 5.091 6.528 7.209 219 H ALA 42 HN ALA 42 7.179 0.503 7.611 220 HA ALA 42 HA ALA 42 6.130 -1.214 5.652 221 HB1 ALA 42 HB1 ALA 42 7.882 -1.899 8.011 222 HB2 ALA 42 HB2 ALA 42 8.438 -1.354 6.429 223 HB3 ALA 42 HB3 ALA 42 7.620 -2.908 6.589 224 H SER 43 HN SER 43 5.400 -0.842 9.062 225 HA SER 43 HA SER 43 4.056 -3.302 9.422 226 HB2 SER 43 HB2 SER 43 3.386 -0.771 10.914 227 HB3 SER 43 HB1 SER 43 3.305 -2.434 11.485 228 HG SER 43 HG SER 43 5.242 -0.856 11.943 229 H LEU 44 HN LEU 44 3.049 -0.166 8.194 230 HA LEU 44 HA LEU 44 0.268 -0.707 8.113 231 HB2 LEU 44 HB2 LEU 44 1.941 1.135 6.400 232 HB3 LEU 44 HB1 LEU 44 0.191 1.092 6.384 233 HG LEU 44 HG LEU 44 1.979 1.992 8.633 234 HD11 LEU 44 HD11 LEU 44 -0.151 3.403 7.041 235 HD12 LEU 44 HD12 LEU 44 1.589 3.622 6.866 236 HD13 LEU 44 HD13 LEU 44 0.786 4.099 8.362 237 HD21 LEU 44 HD21 LEU 44 0.198 0.709 9.621 238 HD22 LEU 44 HD22 LEU 44 -0.998 1.555 8.641 239 HD23 LEU 44 HD23 LEU 44 -0.103 2.426 9.884 240 H VAL 45 HN VAL 45 2.848 -1.016 5.703 241 HA VAL 45 HA VAL 45 1.173 -1.990 3.636 242 HB VAL 45 HB VAL 45 4.131 -2.540 3.902 243 HG11 VAL 45 HG11 VAL 45 2.349 -2.231 1.493 244 HG12 VAL 45 HG12 VAL 45 2.996 -3.748 2.116 245 HG13 VAL 45 HG13 VAL 45 4.087 -2.527 1.461 246 HG21 VAL 45 HG21 VAL 45 4.555 -0.435 2.804 247 HG22 VAL 45 HG22 VAL 45 3.648 -0.146 4.285 248 HG23 VAL 45 HG23 VAL 45 2.830 -0.089 2.724 249 H ALA 46 HN ALA 46 2.935 -3.534 6.249 250 HA ALA 46 HA ALA 46 2.817 -6.195 5.352 251 HB1 ALA 46 HB1 ALA 46 4.278 -5.501 7.165 252 HB2 ALA 46 HB2 ALA 46 3.214 -6.804 7.697 253 HB3 ALA 46 HB3 ALA 46 2.880 -5.140 8.180 254 H GLU 47 HN GLU 47 0.438 -4.163 6.867 255 HA GLU 47 HA GLU 47 -1.381 -6.052 7.807 256 HB2 GLU 47 HB2 GLU 47 -1.872 -3.341 6.577 257 HB3 GLU 47 HB1 GLU 47 -3.105 -4.289 7.389 258 HG2 GLU 47 HG2 GLU 47 -0.563 -3.314 8.667 259 HG3 GLU 47 HG1 GLU 47 -2.135 -2.531 8.808 260 H ALA 48 HN ALA 48 -0.628 -5.026 4.607 261 HA ALA 48 HA ALA 48 -2.950 -5.634 3.226 262 HB1 ALA 48 HB1 ALA 48 -0.933 -4.414 2.378 263 HB2 ALA 48 HB2 ALA 48 -1.655 -5.568 1.253 264 HB3 ALA 48 HB3 ALA 48 -0.183 -5.993 2.132 265 H ALA 49 HN ALA 49 -0.577 -7.794 4.518 266 HA ALA 49 HA ALA 49 -0.969 -9.996 2.847 267 HB1 ALA 49 HB1 ALA 49 -0.289 -10.002 5.782 268 HB2 ALA 49 HB2 ALA 49 0.861 -9.842 4.456 269 HB3 ALA 49 HB3 ALA 49 -0.050 -11.338 4.657 270 H SER 50 HN SER 50 -2.873 -8.803 5.564 271 HA SER 50 HA SER 50 -4.541 -11.130 5.700 272 HB2 SER 50 HB2 SER 50 -5.992 -9.725 7.158 273 HB3 SER 50 HB1 SER 50 -4.311 -9.761 7.683 274 HG SER 50 HG SER 50 -4.091 -7.703 7.191 275 H ARG 51 HN ARG 51 -4.700 -8.012 4.060 276 HA ARG 51 HA ARG 51 -7.339 -8.328 3.060 277 HB2 ARG 51 HB2 ARG 51 -5.055 -6.528 2.505 278 HB3 ARG 51 HB1 ARG 51 -6.213 -6.724 1.202 279 HG2 ARG 51 HG2 ARG 51 -6.744 -4.777 2.538 280 HG3 ARG 51 HG1 ARG 51 -8.014 -5.988 2.681 281 HD2 ARG 51 HD2 ARG 51 -5.843 -6.016 4.707 282 HD3 ARG 51 HD1 ARG 51 -7.018 -4.701 4.787 283 HE ARG 51 HE ARG 51 -8.356 -7.180 4.534 284 HH11 ARG 51 HH11 ARG 51 -6.531 -5.323 6.870 285 HH12 ARG 51 HH12 ARG 51 -7.353 -5.993 8.238 286 HH21 ARG 51 HH21 ARG 51 -9.440 -8.063 6.320 287 HH22 ARG 51 HH22 ARG 51 -9.010 -7.562 7.924 288 H GLY 52 HN GLY 52 -4.156 -9.298 1.879 289 HA2 GLY 52 HA2 GLY 52 -4.141 -11.545 0.950 290 HA3 GLY 52 HA1 GLY 52 -5.624 -11.145 0.112 291 H HIS 53 HN HIS 53 -3.536 -8.495 -0.166 292 HA HIS 53 HA HIS 53 -2.204 -9.625 -2.499 293 HB2 HIS 53 HB2 HIS 53 -4.466 -7.739 -2.651 294 HB3 HIS 53 HB1 HIS 53 -3.087 -7.358 -3.677 295 HD1 HIS 53 HD1 HIS 53 -5.977 -9.638 -3.383 296 HD2 HIS 53 HD2 HIS 53 -2.479 -9.375 -5.619 297 HE1 HIS 53 HE1 HIS 53 -6.281 -11.226 -5.306 298 HE2 HIS 53 HE2 HIS 53 -4.080 -11.187 -6.532 299 H ILE 54 HN ILE 54 -0.235 -8.975 -2.653 300 HA ILE 54 HA ILE 54 0.513 -6.225 -2.518 301 HB ILE 54 HB ILE 54 2.556 -7.153 -0.960 302 HG12 ILE 54 HG12 ILE 54 0.011 -8.159 0.330 303 HG13 ILE 54 HG11 ILE 54 1.257 -9.186 -0.373 304 HG21 ILE 54 HG21 ILE 54 1.657 -4.966 -0.794 305 HG22 ILE 54 HG22 ILE 54 1.597 -5.706 0.807 306 HG23 ILE 54 HG23 ILE 54 0.128 -5.580 -0.163 307 HD11 ILE 54 HD11 ILE 54 1.570 -7.343 1.982 308 HD12 ILE 54 HD12 ILE 54 2.869 -8.285 1.250 309 HD13 ILE 54 HD13 ILE 54 1.506 -9.105 2.016 310 H SER 55 HN SER 55 2.894 -6.007 -2.956 311 HA SER 55 HA SER 55 4.016 -8.232 -4.435 312 HB2 SER 55 HB2 SER 55 4.242 -6.068 -6.206 313 HB3 SER 55 HB1 SER 55 3.205 -7.485 -6.389 314 HG SER 55 HG SER 55 2.439 -5.188 -4.924 315 H CYS 56 HN CYS 56 6.171 -8.294 -4.100 316 HA CYS 56 HA CYS 56 7.415 -5.906 -2.921 317 HB2 CYS 56 HB2 CYS 56 9.168 -7.544 -2.153 318 HB3 CYS 56 HB1 CYS 56 7.564 -7.805 -1.476 319 HG CYS 56 HG CYS 56 8.613 -10.309 -1.929 320 H ALA 57 HN ALA 57 9.317 -5.054 -3.700 321 HA ALA 57 HA ALA 57 10.172 -6.037 -6.332 322 HB1 ALA 57 HB1 ALA 57 10.705 -3.377 -5.015 323 HB2 ALA 57 HB2 ALA 57 9.504 -3.696 -6.268 324 HB3 ALA 57 HB3 ALA 57 11.222 -3.850 -6.633 325 H THR 58 HN THR 58 12.001 -4.244 -3.845 326 HA THR 58 HA THR 58 13.829 -6.528 -3.737 327 HB THR 58 HB THR 58 14.910 -3.777 -3.342 328 HG1 THR 58 HG1 THR 58 14.116 -4.997 -5.736 329 HG21 THR 58 HG21 THR 58 16.298 -5.685 -2.720 330 HG22 THR 58 HG22 THR 58 16.972 -4.845 -4.116 331 HG23 THR 58 HG23 THR 58 16.102 -6.362 -4.335 332 H THR 59 HN THR 59 12.264 -3.981 -2.049 333 HA THR 59 HA THR 59 11.939 -3.468 0.128 334 HB THR 59 HB THR 59 12.226 -6.400 0.731 335 HG1 THR 59 HG1 THR 59 10.367 -6.795 -0.334 336 HG21 THR 59 HG21 THR 59 10.271 -4.292 1.666 337 HG22 THR 59 HG22 THR 59 11.678 -4.842 2.570 338 HG23 THR 59 HG23 THR 59 10.356 -5.959 2.233 339 H SER 60 HN SER 60 14.776 -3.615 -0.780 340 HA SER 60 HA SER 60 16.293 -4.611 1.422 341 HB2 SER 60 HB2 SER 60 18.151 -3.296 0.177 342 HB3 SER 60 HB1 SER 60 17.427 -4.697 -0.615 343 HG SER 60 HG SER 60 17.513 -2.947 -2.047 344 H GLY 61 HN GLY 61 16.547 -1.338 0.135 345 HA2 GLY 61 HA2 GLY 61 15.864 -0.165 2.708 346 HA3 GLY 61 HA1 GLY 61 17.544 0.007 2.216 347 H ARG 62 HN ARG 62 14.260 0.469 0.969 348 HA ARG 62 HA ARG 62 13.325 2.025 -0.372 349 HB2 ARG 62 HB2 ARG 62 15.674 3.607 0.636 350 HB3 ARG 62 HB1 ARG 62 14.592 4.279 -0.565 351 HG2 ARG 62 HG2 ARG 62 12.716 4.015 0.993 352 HG3 ARG 62 HG1 ARG 62 13.831 3.374 2.204 353 HD2 ARG 62 HD2 ARG 62 15.022 5.442 2.302 354 HD3 ARG 62 HD1 ARG 62 14.140 6.078 0.916 355 HE ARG 62 HE ARG 62 12.577 5.398 3.281 356 HH11 ARG 62 HH11 ARG 62 14.192 7.877 1.411 357 HH12 ARG 62 HH12 ARG 62 13.237 9.171 2.066 358 HH21 ARG 62 HH21 ARG 62 11.311 7.108 4.139 359 HH22 ARG 62 HH22 ARG 62 11.603 8.737 3.597 360 H ASN 63 HN ASN 63 14.178 3.678 -2.314 361 HA ASN 63 HA ASN 63 14.934 3.744 -4.453 362 HB2 ASN 63 HB2 ASN 63 16.987 4.301 -3.246 363 HB3 ASN 63 HB1 ASN 63 17.386 2.595 -3.112 364 HD21 ASN 63 HD21 ASN 63 16.048 4.154 -5.970 365 HD22 ASN 63 HD22 ASN 63 17.447 3.932 -6.962 366 H GLY 64 HN GLY 64 13.294 1.979 -4.821 367 HA2 GLY 64 HA2 GLY 64 12.928 0.229 -6.345 368 HA3 GLY 64 HA1 GLY 64 14.623 -0.219 -6.209 369 H GLY 65 HN GLY 65 14.765 -0.357 -3.389 370 HA2 GLY 65 HA2 GLY 65 13.467 -2.914 -2.965 371 HA3 GLY 65 HA1 GLY 65 14.567 -2.100 -1.853 372 H ALA 66 HN ALA 66 11.357 -1.855 -3.245 373 HA ALA 66 HA ALA 66 10.268 -1.153 -0.615 374 HB1 ALA 66 HB1 ALA 66 8.806 0.505 -1.659 375 HB2 ALA 66 HB2 ALA 66 9.566 0.199 -3.221 376 HB3 ALA 66 HB3 ALA 66 10.503 0.913 -1.910 377 H TRP 67 HN TRP 67 7.806 -1.358 -0.702 378 HA TRP 67 HA TRP 67 7.059 -3.718 -2.264 379 HB2 TRP 67 HB2 TRP 67 5.853 -2.370 0.144 380 HB3 TRP 67 HB1 TRP 67 4.894 -3.470 -0.837 381 HD1 TRP 67 HD1 TRP 67 7.963 -3.461 1.489 382 HE1 TRP 67 HE1 TRP 67 8.322 -5.850 2.364 383 HE3 TRP 67 HE3 TRP 67 4.445 -5.899 -1.313 384 HZ2 TRP 67 HZ2 TRP 67 7.266 -8.419 1.927 385 HZ3 TRP 67 HZ3 TRP 67 4.191 -8.325 -1.020 386 HH2 TRP 67 HH2 TRP 67 5.570 -9.557 0.565 387 H GLU 68 HN GLU 68 5.146 -3.729 -3.474 388 HA GLU 68 HA GLU 68 4.006 -1.132 -4.202 389 HB2 GLU 68 HB2 GLU 68 4.131 -1.661 -6.565 390 HB3 GLU 68 HB1 GLU 68 5.747 -1.732 -5.876 391 HG2 GLU 68 HG2 GLU 68 5.498 -4.193 -5.706 392 HG3 GLU 68 HG1 GLU 68 3.958 -4.042 -6.554 393 H ILE 69 HN ILE 69 1.998 -1.594 -5.649 394 HA ILE 69 HA ILE 69 0.530 -3.771 -4.315 395 HB ILE 69 HB ILE 69 -0.177 -1.479 -3.754 396 HG12 ILE 69 HG12 ILE 69 -2.172 -3.147 -5.299 397 HG13 ILE 69 HG11 ILE 69 -1.803 -3.275 -3.583 398 HG21 ILE 69 HG21 ILE 69 -1.301 -0.097 -5.419 399 HG22 ILE 69 HG22 ILE 69 -0.955 -1.304 -6.656 400 HG23 ILE 69 HG23 ILE 69 0.367 -0.426 -5.888 401 HD11 ILE 69 HD11 ILE 69 -3.129 -0.944 -4.948 402 HD12 ILE 69 HD12 ILE 69 -2.738 -1.041 -3.230 403 HD13 ILE 69 HD13 ILE 69 -3.912 -2.155 -3.931 404 H THR 70 HN THR 70 -0.976 -4.973 -5.500 405 HA THR 70 HA THR 70 -0.544 -5.125 -8.358 406 HB THR 70 HB THR 70 -2.044 -7.071 -8.275 407 HG1 THR 70 HG1 THR 70 -3.490 -7.035 -6.728 408 HG21 THR 70 HG21 THR 70 -0.036 -7.125 -6.017 409 HG22 THR 70 HG22 THR 70 0.331 -7.404 -7.718 410 HG23 THR 70 HG23 THR 70 -0.707 -8.531 -6.845 411 H ALA 71 HN ALA 71 -2.424 -5.048 -9.857 412 HA ALA 71 HA ALA 71 -3.869 -2.694 -9.609 413 HB1 ALA 71 HB1 ALA 71 -3.464 -3.833 -11.738 414 HB2 ALA 71 HB2 ALA 71 -5.169 -3.441 -11.517 415 HB3 ALA 71 HB3 ALA 71 -4.606 -5.095 -11.275 416 H SER 72 HN SER 72 -4.830 -5.996 -8.875 417 HA SER 72 HA SER 72 -7.540 -5.596 -8.391 418 HB2 SER 72 HB2 SER 72 -7.238 -7.712 -6.951 419 HB3 SER 72 HB1 SER 72 -6.820 -7.816 -8.659 420 HG SER 72 HG SER 72 -4.828 -8.202 -8.129 421 H GLY 73 HN GLY 73 -4.797 -4.955 -6.302 422 HA2 GLY 73 HA2 GLY 73 -6.037 -5.412 -3.828 423 HA3 GLY 73 HA1 GLY 73 -4.622 -4.405 -4.089 424 H THR 74 HN THR 74 -6.005 -2.590 -5.888 425 HA THR 74 HA THR 74 -6.695 -0.687 -3.948 426 HB THR 74 HB THR 74 -7.268 -0.632 -6.912 427 HG1 THR 74 HG1 THR 74 -4.964 -0.595 -5.524 428 HG21 THR 74 HG21 THR 74 -7.170 1.821 -6.622 429 HG22 THR 74 HG22 THR 74 -7.048 1.590 -4.877 430 HG23 THR 74 HG23 THR 74 -8.507 1.092 -5.733 431 H ARG 75 HN ARG 75 -8.704 -2.945 -5.763 432 HA ARG 75 HA ARG 75 -11.056 -1.326 -5.584 433 HB2 ARG 75 HB2 ARG 75 -10.688 -4.225 -6.332 434 HB3 ARG 75 HB1 ARG 75 -12.240 -3.406 -6.368 435 HG2 ARG 75 HG2 ARG 75 -11.486 -3.351 -8.576 436 HG3 ARG 75 HG1 ARG 75 -11.141 -1.738 -7.951 437 HD2 ARG 75 HD2 ARG 75 -8.816 -2.407 -7.549 438 HD3 ARG 75 HD1 ARG 75 -9.167 -4.005 -8.199 439 HE ARG 75 HE ARG 75 -9.234 -1.504 -9.763 440 HH11 ARG 75 HH11 ARG 75 -8.869 -4.980 -9.577 441 HH12 ARG 75 HH12 ARG 75 -8.280 -5.128 -11.201 442 HH21 ARG 75 HH21 ARG 75 -8.477 -1.704 -11.910 443 HH22 ARG 75 HH22 ARG 75 -8.056 -3.272 -12.527 444 H PHE 76 HN PHE 76 -10.196 -4.418 -3.985 445 HA PHE 76 HA PHE 76 -12.507 -4.254 -2.308 446 HB2 PHE 76 HB2 PHE 76 -11.246 -6.181 -1.072 447 HB3 PHE 76 HB1 PHE 76 -11.980 -6.443 -2.638 448 HD1 PHE 76 HD1 PHE 76 -8.768 -5.885 -0.908 449 HD2 PHE 76 HD2 PHE 76 -10.713 -7.080 -4.499 450 HE1 PHE 76 HE1 PHE 76 -6.632 -6.746 -1.777 451 HE2 PHE 76 HE2 PHE 76 -8.584 -7.938 -5.373 452 HZ PHE 76 HZ PHE 76 -6.540 -7.774 -4.017 453 H LEU 77 HN LEU 77 -9.113 -3.576 -1.867 454 HA LEU 77 HA LEU 77 -9.262 -3.376 0.948 455 HB2 LEU 77 HB2 LEU 77 -7.110 -3.707 0.601 456 HB3 LEU 77 HB1 LEU 77 -7.245 -3.249 -1.082 457 HG LEU 77 HG LEU 77 -7.262 -0.959 0.714 458 HD11 LEU 77 HD11 LEU 77 -5.817 -2.367 2.049 459 HD12 LEU 77 HD12 LEU 77 -4.863 -1.122 1.245 460 HD13 LEU 77 HD13 LEU 77 -4.856 -2.773 0.628 461 HD21 LEU 77 HD21 LEU 77 -7.003 -0.771 -1.698 462 HD22 LEU 77 HD22 LEU 77 -5.546 -1.763 -1.634 463 HD23 LEU 77 HD23 LEU 77 -5.564 -0.171 -0.874 464 H LYS 78 HN LYS 78 -9.187 -0.801 -1.569 465 HA LYS 78 HA LYS 78 -8.895 1.254 0.375 466 HB2 LYS 78 HB2 LYS 78 -8.191 1.519 -1.987 467 HB3 LYS 78 HB1 LYS 78 -9.885 1.541 -2.465 468 HG2 LYS 78 HG2 LYS 78 -10.209 3.537 -1.024 469 HG3 LYS 78 HG1 LYS 78 -8.475 3.538 -0.709 470 HD2 LYS 78 HD2 LYS 78 -8.585 5.046 -2.430 471 HD3 LYS 78 HD1 LYS 78 -8.328 3.555 -3.334 472 HE2 LYS 78 HE2 LYS 78 -11.066 4.663 -2.768 473 HE3 LYS 78 HE1 LYS 78 -10.134 5.122 -4.190 474 HZ1 LYS 78 HZ1 LYS 78 -11.719 3.323 -4.611 475 HZ2 LYS 78 HZ2 LYS 78 -10.907 2.340 -3.507 476 HZ3 LYS 78 HZ3 LYS 78 -10.124 2.853 -4.917 477 H ARG 79 HN ARG 79 -11.664 -0.308 -1.024 478 HA ARG 79 HA ARG 79 -13.592 1.681 -0.416 479 HB2 ARG 79 HB2 ARG 79 -15.261 -0.018 -0.836 480 HB3 ARG 79 HB1 ARG 79 -13.983 -0.153 -2.039 481 HG2 ARG 79 HG2 ARG 79 -13.022 -2.025 -0.852 482 HG3 ARG 79 HG1 ARG 79 -14.230 -1.862 0.424 483 HD2 ARG 79 HD2 ARG 79 -14.893 -2.400 -2.464 484 HD3 ARG 79 HD1 ARG 79 -14.700 -3.664 -1.252 485 HE ARG 79 HE ARG 79 -16.537 -2.088 -0.107 486 HH11 ARG 79 HH11 ARG 79 -16.314 -3.357 -3.363 487 HH12 ARG 79 HH12 ARG 79 -18.031 -3.477 -3.568 488 HH21 ARG 79 HH21 ARG 79 -18.786 -2.248 -0.369 489 HH22 ARG 79 HH22 ARG 79 -19.443 -2.850 -1.858 490 H MET 80 HN MET 80 -11.870 -0.487 1.548 491 HA MET 80 HA MET 80 -13.809 -0.979 3.566 492 HB2 MET 80 HB2 MET 80 -10.791 -1.037 3.704 493 HB3 MET 80 HB1 MET 80 -11.866 -1.652 4.951 494 HG2 MET 80 HG2 MET 80 -12.713 -3.333 3.451 495 HG3 MET 80 HG1 MET 80 -11.769 -2.666 2.122 496 HE1 MET 80 HE1 MET 80 -10.592 -3.087 5.873 497 HE2 MET 80 HE2 MET 80 -9.900 -4.708 5.820 498 HE3 MET 80 HE3 MET 80 -11.635 -4.482 5.597 499 H GLY 81 HN GLY 81 -12.520 1.880 2.650 500 HA2 GLY 81 HA2 GLY 81 -13.239 3.839 3.914 501 HA3 GLY 81 HA1 GLY 81 -12.815 2.969 5.378 502 H GLY 82 HN GLY 82 -10.973 3.331 2.374 503 HA2 GLY 82 HA2 GLY 82 -8.500 3.685 3.559 504 HA3 GLY 82 HA1 GLY 82 -8.916 4.248 1.950 505 H CYS 83 HN CYS 83 -7.981 5.107 5.019 506 HA CYS 83 HA CYS 83 -7.658 7.028 6.153 507 HB2 CYS 83 HB2 CYS 83 -7.778 8.191 3.372 508 HB3 CYS 83 HB1 CYS 83 -7.189 9.050 4.790 509 HG CYS 83 HG CYS 83 -5.002 7.403 5.206 510 H VAL 84 HN VAL 84 -10.512 6.199 5.523 511 HA VAL 84 HA VAL 84 -11.681 8.731 6.417 512 HB VAL 84 HB VAL 84 -13.821 8.084 5.178 513 HG11 VAL 84 HG11 VAL 84 -13.046 9.154 3.091 514 HG12 VAL 84 HG12 VAL 84 -11.382 8.972 3.646 515 HG13 VAL 84 HG13 VAL 84 -12.505 9.997 4.542 516 HG21 VAL 84 HG21 VAL 84 -13.541 6.785 3.129 517 HG22 VAL 84 HG22 VAL 84 -13.188 5.809 4.554 518 HG23 VAL 84 HG23 VAL 84 -11.869 6.439 3.569 Start of MODEL 3 1 H1 MET 16 HT1 MET 16 -6.257 0.803 10.827 2 H2 MET 16 HT2 MET 16 -4.745 1.392 10.355 3 H3 MET 16 HT3 MET 16 -4.878 -0.157 11.018 4 HA MET 16 HA MET 16 -4.582 -0.300 8.644 5 HB2 MET 16 HB2 MET 16 -7.379 -1.000 9.557 6 HB3 MET 16 HB1 MET 16 -6.618 -1.609 8.096 7 HG2 MET 16 HG2 MET 16 -6.456 -3.304 9.735 8 HG3 MET 16 HG1 MET 16 -4.845 -2.618 9.538 9 HE1 MET 16 HE1 MET 16 -5.652 -4.457 11.997 10 HE2 MET 16 HE2 MET 16 -4.910 -3.575 13.332 11 HE3 MET 16 HE3 MET 16 -4.052 -3.745 11.799 12 H SER 17 HN SER 17 -6.663 2.191 9.659 13 HA SER 17 HA SER 17 -8.262 2.532 7.377 14 HB2 SER 17 HB2 SER 17 -7.377 4.639 9.358 15 HB3 SER 17 HB1 SER 17 -8.799 4.706 8.312 16 HG SER 17 HG SER 17 -9.839 3.428 9.635 17 H ASP 18 HN ASP 18 -5.247 4.228 8.321 18 HA ASP 18 HA ASP 18 -5.127 5.703 5.878 19 HB2 ASP 18 HB2 ASP 18 -3.221 5.265 8.144 20 HB3 ASP 18 HB1 ASP 18 -2.640 5.991 6.649 21 H TYR 19 HN TYR 19 -3.737 2.712 7.040 22 HA TYR 19 HA TYR 19 -1.831 2.187 5.132 23 HB2 TYR 19 HB2 TYR 19 -1.721 0.419 6.521 24 HB3 TYR 19 HB1 TYR 19 -3.394 0.619 7.024 25 HD1 TYR 19 HD1 TYR 19 -4.989 -0.979 6.388 26 HD2 TYR 19 HD2 TYR 19 -1.326 -0.721 4.235 27 HE1 TYR 19 HE1 TYR 19 -5.551 -3.035 5.190 28 HE2 TYR 19 HE2 TYR 19 -1.892 -2.781 3.027 29 HH TYR 19 HH TYR 19 -4.909 -4.516 3.713 30 H LEU 20 HN LEU 20 -5.325 1.901 4.848 31 HA LEU 20 HA LEU 20 -5.571 0.233 2.679 32 HB2 LEU 20 HB2 LEU 20 -7.237 2.688 3.202 33 HB3 LEU 20 HB1 LEU 20 -7.691 1.320 2.202 34 HG LEU 20 HG LEU 20 -7.232 1.210 5.184 35 HD11 LEU 20 HD11 LEU 20 -9.218 2.480 4.624 36 HD12 LEU 20 HD12 LEU 20 -9.659 0.917 5.310 37 HD13 LEU 20 HD13 LEU 20 -9.773 1.182 3.570 38 HD21 LEU 20 HD21 LEU 20 -6.709 -0.903 4.103 39 HD22 LEU 20 HD22 LEU 20 -8.251 -0.868 3.249 40 HD23 LEU 20 HD23 LEU 20 -8.219 -1.030 5.004 41 H LYS 21 HN LYS 21 -5.059 3.746 2.628 42 HA LYS 21 HA LYS 21 -5.078 3.743 -0.257 43 HB2 LYS 21 HB2 LYS 21 -4.569 5.949 1.726 44 HB3 LYS 21 HB1 LYS 21 -4.575 6.164 -0.019 45 HG2 LYS 21 HG2 LYS 21 -6.922 5.348 -0.063 46 HG3 LYS 21 HG1 LYS 21 -6.890 5.297 1.702 47 HD2 LYS 21 HD2 LYS 21 -7.921 7.361 0.927 48 HD3 LYS 21 HD1 LYS 21 -6.403 7.704 1.757 49 HE2 LYS 21 HE2 LYS 21 -5.277 7.859 -0.443 50 HE3 LYS 21 HE1 LYS 21 -6.833 7.604 -1.230 51 HZ1 LYS 21 HZ1 LYS 21 -6.151 9.873 0.560 52 HZ2 LYS 21 HZ2 LYS 21 -7.638 9.635 -0.210 53 HZ3 LYS 21 HZ3 LYS 21 -6.253 9.941 -1.127 54 H VAL 22 HN VAL 22 -2.720 3.262 2.155 55 HA VAL 22 HA VAL 22 -0.496 4.647 1.294 56 HB VAL 22 HB VAL 22 -0.752 1.957 2.623 57 HG11 VAL 22 HG11 VAL 22 1.833 3.395 2.026 58 HG12 VAL 22 HG12 VAL 22 1.313 1.862 1.325 59 HG13 VAL 22 HG13 VAL 22 1.655 1.970 3.052 60 HG21 VAL 22 HG21 VAL 22 -1.331 3.878 3.967 61 HG22 VAL 22 HG22 VAL 22 0.196 4.661 3.558 62 HG23 VAL 22 HG23 VAL 22 0.193 3.195 4.539 63 H LEU 23 HN LEU 23 -1.233 1.264 0.377 64 HA LEU 23 HA LEU 23 0.895 1.223 -1.503 65 HB2 LEU 23 HB2 LEU 23 -0.766 -0.883 -2.196 66 HB3 LEU 23 HB1 LEU 23 0.655 -0.944 -1.180 67 HG LEU 23 HG LEU 23 -0.832 -0.564 0.798 68 HD11 LEU 23 HD11 LEU 23 -2.745 0.453 -0.215 69 HD12 LEU 23 HD12 LEU 23 -3.236 -1.099 0.457 70 HD13 LEU 23 HD13 LEU 23 -2.982 -0.934 -1.277 71 HD21 LEU 23 HD21 LEU 23 -1.354 -2.978 -0.927 72 HD22 LEU 23 HD22 LEU 23 -1.714 -2.863 0.794 73 HD23 LEU 23 HD23 LEU 23 -0.044 -2.775 0.238 74 H GLN 24 HN GLN 24 -2.631 1.495 -1.907 75 HA GLN 24 HA GLN 24 -2.394 1.360 -4.744 76 HB2 GLN 24 HB2 GLN 24 -4.802 1.870 -4.785 77 HB3 GLN 24 HB1 GLN 24 -4.375 0.481 -3.815 78 HG2 GLN 24 HG2 GLN 24 -5.739 1.393 -2.305 79 HG3 GLN 24 HG1 GLN 24 -4.383 2.468 -1.954 80 HE21 GLN 24 HE21 GLN 24 -4.501 4.599 -2.557 81 HE22 GLN 24 HE22 GLN 24 -5.930 5.316 -3.221 82 H ALA 25 HN ALA 25 -2.290 4.002 -2.511 83 HA ALA 25 HA ALA 25 -3.325 6.051 -4.092 84 HB1 ALA 25 HB1 ALA 25 -2.036 7.594 -2.762 85 HB2 ALA 25 HB2 ALA 25 -1.021 6.276 -2.175 86 HB3 ALA 25 HB3 ALA 25 -2.732 6.336 -1.738 87 H ILE 26 HN ILE 26 0.125 5.092 -3.832 88 HA ILE 26 HA ILE 26 1.159 6.784 -5.733 89 HB ILE 26 HB ILE 26 2.647 5.394 -4.460 90 HG12 ILE 26 HG12 ILE 26 2.798 4.743 -7.410 91 HG13 ILE 26 HG11 ILE 26 3.519 6.129 -6.601 92 HG21 ILE 26 HG21 ILE 26 2.858 2.976 -4.849 93 HG22 ILE 26 HG22 ILE 26 1.458 3.044 -5.919 94 HG23 ILE 26 HG23 ILE 26 1.278 3.421 -4.205 95 HD11 ILE 26 HD11 ILE 26 4.276 3.248 -6.190 96 HD12 ILE 26 HD12 ILE 26 4.994 4.629 -5.361 97 HD13 ILE 26 HD13 ILE 26 5.186 4.450 -7.106 98 H LYS 27 HN LYS 27 -0.695 3.865 -6.225 99 HA LYS 27 HA LYS 27 -0.325 3.770 -9.061 100 HB2 LYS 27 HB2 LYS 27 -0.846 1.674 -8.353 101 HB3 LYS 27 HB1 LYS 27 -1.819 2.253 -7.012 102 HG2 LYS 27 HG2 LYS 27 -3.698 2.604 -8.446 103 HG3 LYS 27 HG1 LYS 27 -2.731 2.246 -9.880 104 HD2 LYS 27 HD2 LYS 27 -2.436 -0.044 -9.139 105 HD3 LYS 27 HD1 LYS 27 -3.293 0.309 -7.639 106 HE2 LYS 27 HE2 LYS 27 -4.772 -0.831 -9.165 107 HE3 LYS 27 HE1 LYS 27 -5.316 0.828 -8.939 108 HZ1 LYS 27 HZ1 LYS 27 -4.218 1.395 -11.048 109 HZ2 LYS 27 HZ2 LYS 27 -5.442 0.248 -11.246 110 HZ3 LYS 27 HZ3 LYS 27 -3.822 -0.232 -11.273 111 H SER 28 HN SER 28 -3.007 4.850 -6.947 112 HA SER 28 HA SER 28 -4.502 5.604 -9.340 113 HB2 SER 28 HB2 SER 28 -5.632 4.208 -7.681 114 HB3 SER 28 HB1 SER 28 -5.393 5.455 -6.457 115 HG SER 28 HG SER 28 -6.733 6.044 -8.872 116 H CYS 29 HN CYS 29 -3.456 7.165 -6.279 117 HA CYS 29 HA CYS 29 -4.091 9.762 -7.485 118 HB2 CYS 29 HB2 CYS 29 -5.353 10.437 -5.482 119 HB3 CYS 29 HB1 CYS 29 -6.110 9.067 -6.287 120 HG CYS 29 HG CYS 29 -4.053 8.687 -3.590 121 HA PRO 30 HA PRO 30 -0.259 10.835 -5.498 122 HB2 PRO 30 HB2 PRO 30 -0.481 13.542 -5.721 123 HB3 PRO 30 HB1 PRO 30 -0.026 12.491 -7.066 124 HG2 PRO 30 HG2 PRO 30 -2.691 13.679 -6.405 125 HG3 PRO 30 HG1 PRO 30 -1.889 13.538 -7.982 126 HD2 PRO 30 HD2 PRO 30 -3.841 11.846 -7.201 127 HD3 PRO 30 HD1 PRO 30 -2.492 11.321 -8.227 128 H LYS 31 HN LYS 31 0.311 12.901 -3.957 129 HA LYS 31 HA LYS 31 0.166 13.852 -1.902 130 HB2 LYS 31 HB2 LYS 31 -2.724 12.975 -1.919 131 HB3 LYS 31 HB1 LYS 31 -1.988 14.005 -0.702 132 HG2 LYS 31 HG2 LYS 31 -1.495 15.669 -2.464 133 HG3 LYS 31 HG1 LYS 31 -2.356 14.649 -3.618 134 HD2 LYS 31 HD2 LYS 31 -3.535 15.858 -1.117 135 HD3 LYS 31 HD1 LYS 31 -3.775 16.456 -2.757 136 HE2 LYS 31 HE2 LYS 31 -4.881 14.391 -3.379 137 HE3 LYS 31 HE1 LYS 31 -4.576 13.717 -1.780 138 HZ1 LYS 31 HZ1 LYS 31 -6.831 14.553 -1.975 139 HZ2 LYS 31 HZ2 LYS 31 -6.256 16.095 -2.357 140 HZ3 LYS 31 HZ3 LYS 31 -5.966 15.442 -0.827 141 H THR 32 HN THR 32 -0.539 10.634 -2.555 142 HA THR 32 HA THR 32 0.719 9.839 -0.059 143 HB THR 32 HB THR 32 -1.804 8.469 -1.026 144 HG1 THR 32 HG1 THR 32 -1.390 10.548 0.837 145 HG21 THR 32 HG21 THR 32 -0.267 7.033 0.235 146 HG22 THR 32 HG22 THR 32 -1.736 7.356 1.157 147 HG23 THR 32 HG23 THR 32 -0.242 8.209 1.549 148 H PHE 33 HN PHE 33 1.702 7.683 -0.261 149 HA PHE 33 HA PHE 33 1.921 6.578 -2.904 150 HB2 PHE 33 HB2 PHE 33 4.243 7.145 -3.276 151 HB3 PHE 33 HB1 PHE 33 3.328 8.631 -3.052 152 HD1 PHE 33 HD1 PHE 33 6.271 7.004 -2.224 153 HD2 PHE 33 HD2 PHE 33 3.226 9.408 -0.476 154 HE1 PHE 33 HE1 PHE 33 7.831 7.683 -0.447 155 HE2 PHE 33 HE2 PHE 33 4.783 10.095 1.300 156 HZ PHE 33 HZ PHE 33 7.090 9.231 1.318 157 H GLN 34 HN GLN 34 3.645 4.882 -2.943 158 HA GLN 34 HA GLN 34 3.909 3.650 -0.290 159 HB2 GLN 34 HB2 GLN 34 2.264 2.533 -1.736 160 HB3 GLN 34 HB1 GLN 34 3.496 2.301 -2.963 161 HG2 GLN 34 HG2 GLN 34 4.765 0.913 -1.384 162 HG3 GLN 34 HG1 GLN 34 3.468 1.110 -0.208 163 HE21 GLN 34 HE21 GLN 34 3.153 -1.129 -0.162 164 HE22 GLN 34 HE22 GLN 34 2.344 -1.956 -1.444 165 H SER 35 HN SER 35 5.544 5.017 -2.829 166 HA SER 35 HA SER 35 7.604 3.373 -3.565 167 HB2 SER 35 HB2 SER 35 7.974 6.322 -3.076 168 HB3 SER 35 HB1 SER 35 8.710 5.322 -4.327 169 HG SER 35 HG SER 35 7.109 6.107 -5.465 170 H ASN 36 HN ASN 36 8.217 6.037 -1.284 171 HA ASN 36 HA ASN 36 10.313 4.396 -0.046 172 HB2 ASN 36 HB2 ASN 36 9.801 7.371 0.229 173 HB3 ASN 36 HB1 ASN 36 11.204 6.494 0.826 174 HD21 ASN 36 HD21 ASN 36 12.804 5.875 -0.606 175 HD22 ASN 36 HD22 ASN 36 12.890 6.478 -2.223 176 H TYR 37 HN TYR 37 7.196 4.951 0.333 177 HA TYR 37 HA TYR 37 6.980 5.758 3.065 178 HB2 TYR 37 HB2 TYR 37 5.282 6.073 1.176 179 HB3 TYR 37 HB1 TYR 37 4.871 4.380 1.411 180 HD1 TYR 37 HD1 TYR 37 3.713 3.646 3.437 181 HD2 TYR 37 HD2 TYR 37 4.615 7.751 2.785 182 HE1 TYR 37 HE1 TYR 37 2.149 4.268 5.231 183 HE2 TYR 37 HE2 TYR 37 3.054 8.384 4.574 184 HH TYR 37 HH TYR 37 1.834 6.214 6.810 185 H VAL 38 HN VAL 38 7.149 2.728 1.340 186 HA VAL 38 HA VAL 38 6.092 0.982 3.243 187 HB VAL 38 HB VAL 38 8.149 0.570 1.084 188 HG11 VAL 38 HG11 VAL 38 8.536 -1.049 2.932 189 HG12 VAL 38 HG12 VAL 38 8.019 -1.805 1.429 190 HG13 VAL 38 HG13 VAL 38 6.869 -1.597 2.751 191 HG21 VAL 38 HG21 VAL 38 5.318 -0.415 1.344 192 HG22 VAL 38 HG22 VAL 38 6.353 -0.502 -0.079 193 HG23 VAL 38 HG23 VAL 38 5.781 1.061 0.499 194 H ARG 39 HN ARG 39 9.499 1.904 2.740 195 HA ARG 39 HA ARG 39 10.556 0.208 4.701 196 HB2 ARG 39 HB2 ARG 39 11.828 1.391 2.881 197 HB3 ARG 39 HB1 ARG 39 11.726 2.855 3.851 198 HG2 ARG 39 HG2 ARG 39 13.855 1.876 4.235 199 HG3 ARG 39 HG1 ARG 39 12.881 1.630 5.684 200 HD2 ARG 39 HD2 ARG 39 12.386 -0.661 4.959 201 HD3 ARG 39 HD1 ARG 39 13.376 -0.412 3.520 202 HE ARG 39 HE ARG 39 15.046 0.176 5.592 203 HH11 ARG 39 HH11 ARG 39 13.095 -2.610 4.752 204 HH12 ARG 39 HH12 ARG 39 14.164 -3.738 5.520 205 HH21 ARG 39 HH21 ARG 39 16.457 -1.314 6.581 206 HH22 ARG 39 HH22 ARG 39 16.076 -3.008 6.550 207 H ASN 40 HN ASN 40 9.048 3.319 4.957 208 HA ASN 40 HA ASN 40 9.936 3.737 7.682 209 HB2 ASN 40 HB2 ASN 40 8.044 5.283 5.904 210 HB3 ASN 40 HB1 ASN 40 8.401 5.732 7.568 211 HD21 ASN 40 HD21 ASN 40 9.277 7.686 6.980 212 HD22 ASN 40 HD22 ASN 40 10.823 7.820 6.213 213 H ASN 41 HN ASN 41 6.877 3.047 6.005 214 HA ASN 41 HA ASN 41 5.655 2.466 8.625 215 HB2 ASN 41 HB2 ASN 41 4.295 3.331 6.053 216 HB3 ASN 41 HB1 ASN 41 3.485 2.977 7.573 217 HD21 ASN 41 HD21 ASN 41 5.520 5.215 5.866 218 HD22 ASN 41 HD22 ASN 41 5.340 6.537 6.967 219 H ALA 42 HN ALA 42 7.089 0.442 7.721 220 HA ALA 42 HA ALA 42 5.965 -1.255 5.798 221 HB1 ALA 42 HB1 ALA 42 8.267 -1.457 6.596 222 HB2 ALA 42 HB2 ALA 42 7.398 -2.985 6.727 223 HB3 ALA 42 HB3 ALA 42 7.675 -2.005 8.165 224 H SER 43 HN SER 43 5.414 -1.023 9.281 225 HA SER 43 HA SER 43 3.950 -3.379 9.620 226 HB2 SER 43 HB2 SER 43 2.911 -2.021 11.574 227 HB3 SER 43 HB1 SER 43 4.641 -2.364 11.597 228 HG SER 43 HG SER 43 4.805 -0.277 11.817 229 H LEU 44 HN LEU 44 2.976 -0.236 8.419 230 HA LEU 44 HA LEU 44 0.178 -0.747 8.415 231 HB2 LEU 44 HB2 LEU 44 1.854 1.142 6.765 232 HB3 LEU 44 HB1 LEU 44 0.105 1.093 6.705 233 HG LEU 44 HG LEU 44 1.822 1.887 9.052 234 HD11 LEU 44 HD11 LEU 44 -0.206 3.414 7.424 235 HD12 LEU 44 HD12 LEU 44 1.545 3.585 7.312 236 HD13 LEU 44 HD13 LEU 44 0.711 4.036 8.798 237 HD21 LEU 44 HD21 LEU 44 -0.053 0.605 9.881 238 HD22 LEU 44 HD22 LEU 44 -1.169 1.546 8.892 239 HD23 LEU 44 HD23 LEU 44 -0.303 2.315 10.220 240 H VAL 45 HN VAL 45 2.647 -0.886 5.873 241 HA VAL 45 HA VAL 45 0.964 -1.815 3.822 242 HB VAL 45 HB VAL 45 3.907 -2.437 4.021 243 HG11 VAL 45 HG11 VAL 45 2.730 -3.499 2.183 244 HG12 VAL 45 HG12 VAL 45 3.830 -2.257 1.585 245 HG13 VAL 45 HG13 VAL 45 2.099 -1.935 1.667 246 HG21 VAL 45 HG21 VAL 45 2.663 0.123 3.033 247 HG22 VAL 45 HG22 VAL 45 4.379 -0.284 3.027 248 HG23 VAL 45 HG23 VAL 45 3.532 -0.061 4.556 249 H ALA 46 HN ALA 46 2.716 -3.472 6.357 250 HA ALA 46 HA ALA 46 2.654 -6.086 5.375 251 HB1 ALA 46 HB1 ALA 46 4.018 -5.460 7.272 252 HB2 ALA 46 HB2 ALA 46 2.930 -6.771 7.730 253 HB3 ALA 46 HB3 ALA 46 2.579 -5.116 8.231 254 H GLU 47 HN GLU 47 0.135 -4.168 6.838 255 HA GLU 47 HA GLU 47 -1.686 -6.167 7.546 256 HB2 GLU 47 HB2 GLU 47 -2.046 -3.333 6.612 257 HB3 GLU 47 HB1 GLU 47 -3.431 -4.359 6.956 258 HG2 GLU 47 HG2 GLU 47 -1.244 -3.647 8.896 259 HG3 GLU 47 HG1 GLU 47 -2.863 -2.946 8.852 260 H ALA 48 HN ALA 48 -0.744 -4.925 4.465 261 HA ALA 48 HA ALA 48 -2.957 -5.614 2.907 262 HB1 ALA 48 HB1 ALA 48 -1.553 -5.325 1.033 263 HB2 ALA 48 HB2 ALA 48 -0.108 -5.679 1.981 264 HB3 ALA 48 HB3 ALA 48 -0.998 -4.180 2.260 265 H ALA 49 HN ALA 49 -0.348 -7.581 4.134 266 HA ALA 49 HA ALA 49 -0.679 -9.789 2.424 267 HB1 ALA 49 HB1 ALA 49 1.268 -9.526 3.888 268 HB2 ALA 49 HB2 ALA 49 0.472 -11.078 4.154 269 HB3 ALA 49 HB3 ALA 49 0.238 -9.759 5.300 270 H SER 50 HN SER 50 -2.301 -8.769 5.358 271 HA SER 50 HA SER 50 -3.882 -11.128 5.630 272 HB2 SER 50 HB2 SER 50 -4.275 -8.376 6.827 273 HB3 SER 50 HB1 SER 50 -5.087 -9.855 7.346 274 HG SER 50 HG SER 50 -2.913 -8.987 8.338 275 H ARG 51 HN ARG 51 -4.290 -8.015 4.002 276 HA ARG 51 HA ARG 51 -7.018 -8.452 3.308 277 HB2 ARG 51 HB2 ARG 51 -4.901 -6.546 2.463 278 HB3 ARG 51 HB1 ARG 51 -6.232 -6.802 1.348 279 HG2 ARG 51 HG2 ARG 51 -6.741 -4.898 2.681 280 HG3 ARG 51 HG1 ARG 51 -7.805 -6.208 3.184 281 HD2 ARG 51 HD2 ARG 51 -5.233 -5.748 4.630 282 HD3 ARG 51 HD1 ARG 51 -6.611 -4.703 4.963 283 HE ARG 51 HE ARG 51 -7.504 -7.334 5.142 284 HH11 ARG 51 HH11 ARG 51 -5.230 -5.233 6.752 285 HH12 ARG 51 HH12 ARG 51 -5.404 -5.991 8.302 286 HH21 ARG 51 HH21 ARG 51 -7.756 -8.352 7.182 287 HH22 ARG 51 HH22 ARG 51 -6.844 -7.776 8.544 288 H GLY 52 HN GLY 52 -3.926 -9.321 1.850 289 HA2 GLY 52 HA2 GLY 52 -4.040 -11.627 0.984 290 HA3 GLY 52 HA1 GLY 52 -5.495 -11.146 0.139 291 H HIS 53 HN HIS 53 -3.526 -8.527 -0.261 292 HA HIS 53 HA HIS 53 -2.194 -9.725 -2.574 293 HB2 HIS 53 HB2 HIS 53 -4.396 -7.740 -2.690 294 HB3 HIS 53 HB1 HIS 53 -3.070 -7.555 -3.836 295 HD1 HIS 53 HD1 HIS 53 -6.030 -9.674 -3.075 296 HD2 HIS 53 HD2 HIS 53 -2.796 -9.683 -5.691 297 HE1 HIS 53 HE1 HIS 53 -6.583 -11.384 -4.828 298 HE2 HIS 53 HE2 HIS 53 -4.548 -11.486 -6.303 299 H ILE 54 HN ILE 54 -0.253 -9.060 -2.892 300 HA ILE 54 HA ILE 54 0.602 -6.351 -2.629 301 HB ILE 54 HB ILE 54 2.627 -7.329 -1.141 302 HG12 ILE 54 HG12 ILE 54 0.142 -8.624 -0.001 303 HG13 ILE 54 HG11 ILE 54 1.489 -9.476 -0.750 304 HG21 ILE 54 HG21 ILE 54 1.671 -6.092 0.742 305 HG22 ILE 54 HG22 ILE 54 0.124 -6.035 -0.101 306 HG23 ILE 54 HG23 ILE 54 1.530 -5.219 -0.783 307 HD11 ILE 54 HD11 ILE 54 1.616 -7.832 1.766 308 HD12 ILE 54 HD12 ILE 54 2.972 -8.677 1.016 309 HD13 ILE 54 HD13 ILE 54 1.611 -9.592 1.667 310 H SER 55 HN SER 55 2.960 -6.173 -3.184 311 HA SER 55 HA SER 55 4.078 -8.503 -4.515 312 HB2 SER 55 HB2 SER 55 2.729 -7.262 -6.222 313 HB3 SER 55 HB1 SER 55 3.753 -5.854 -5.942 314 HG SER 55 HG SER 55 4.244 -7.492 -7.728 315 H CYS 56 HN CYS 56 6.302 -8.550 -4.320 316 HA CYS 56 HA CYS 56 7.410 -6.342 -2.718 317 HB2 CYS 56 HB2 CYS 56 7.277 -8.394 -1.465 318 HB3 CYS 56 HB1 CYS 56 8.085 -9.284 -2.751 319 HG CYS 56 HG CYS 56 9.404 -7.251 -0.390 320 H ALA 57 HN ALA 57 9.126 -5.253 -3.393 321 HA ALA 57 HA ALA 57 10.511 -6.105 -5.809 322 HB1 ALA 57 HB1 ALA 57 11.585 -3.910 -5.737 323 HB2 ALA 57 HB2 ALA 57 10.817 -3.581 -4.183 324 HB3 ALA 57 HB3 ALA 57 9.830 -3.766 -5.634 325 H THR 58 HN THR 58 11.555 -4.916 -2.581 326 HA THR 58 HA THR 58 13.404 -7.126 -2.417 327 HB THR 58 HB THR 58 14.569 -4.372 -2.100 328 HG1 THR 58 HG1 THR 58 14.125 -5.897 -4.377 329 HG21 THR 58 HG21 THR 58 16.696 -5.559 -2.242 330 HG22 THR 58 HG22 THR 58 15.839 -7.090 -2.422 331 HG23 THR 58 HG23 THR 58 15.718 -6.184 -0.914 332 H THR 59 HN THR 59 11.823 -4.444 -0.926 333 HA THR 59 HA THR 59 11.108 -4.028 1.178 334 HB THR 59 HB THR 59 12.130 -6.752 1.987 335 HG1 THR 59 HG1 THR 59 10.291 -7.590 1.210 336 HG21 THR 59 HG21 THR 59 10.394 -6.581 3.710 337 HG22 THR 59 HG22 THR 59 9.963 -4.975 3.122 338 HG23 THR 59 HG23 THR 59 11.550 -5.256 3.841 339 H SER 60 HN SER 60 14.246 -5.728 1.282 340 HA SER 60 HA SER 60 15.161 -4.236 3.552 341 HB2 SER 60 HB2 SER 60 15.894 -6.574 2.973 342 HB3 SER 60 HB1 SER 60 16.793 -5.898 1.616 343 HG SER 60 HG SER 60 18.328 -5.583 2.996 344 H GLY 61 HN GLY 61 16.115 -2.294 3.546 345 HA2 GLY 61 HA2 GLY 61 17.257 -0.438 2.823 346 HA3 GLY 61 HA1 GLY 61 17.617 -1.292 1.327 347 H ARG 62 HN ARG 62 16.158 1.379 2.416 348 HA ARG 62 HA ARG 62 13.669 1.450 1.121 349 HB2 ARG 62 HB2 ARG 62 13.795 3.834 1.294 350 HB3 ARG 62 HB1 ARG 62 14.584 3.179 2.721 351 HG2 ARG 62 HG2 ARG 62 16.768 3.476 1.458 352 HG3 ARG 62 HG1 ARG 62 15.841 4.439 0.308 353 HD2 ARG 62 HD2 ARG 62 16.318 4.977 3.226 354 HD3 ARG 62 HD1 ARG 62 16.807 5.956 1.848 355 HE ARG 62 HE ARG 62 14.198 5.867 3.105 356 HH11 ARG 62 HH11 ARG 62 16.051 6.868 0.303 357 HH12 ARG 62 HH12 ARG 62 14.922 8.102 -0.158 358 HH21 ARG 62 HH21 ARG 62 12.728 7.514 2.512 359 HH22 ARG 62 HH22 ARG 62 13.042 8.471 1.098 360 H ASN 63 HN ASN 63 16.861 1.475 -0.023 361 HA ASN 63 HA ASN 63 16.494 2.441 -2.663 362 HB2 ASN 63 HB2 ASN 63 18.682 2.324 -1.579 363 HB3 ASN 63 HB1 ASN 63 18.536 0.571 -1.434 364 HD21 ASN 63 HD21 ASN 63 19.027 -0.695 -3.187 365 HD22 ASN 63 HD22 ASN 63 19.683 -0.073 -4.661 366 H GLY 64 HN GLY 64 14.620 1.394 -3.477 367 HA2 GLY 64 HA2 GLY 64 13.775 -0.156 -4.987 368 HA3 GLY 64 HA1 GLY 64 15.207 -1.139 -4.742 369 H GLY 65 HN GLY 65 14.844 -1.154 -1.819 370 HA2 GLY 65 HA2 GLY 65 13.138 -3.469 -1.725 371 HA3 GLY 65 HA1 GLY 65 14.029 -2.765 -0.379 372 H ALA 66 HN ALA 66 11.244 -2.285 -2.450 373 HA ALA 66 HA ALA 66 9.713 -1.496 -0.079 374 HB1 ALA 66 HB1 ALA 66 10.218 0.544 -1.325 375 HB2 ALA 66 HB2 ALA 66 8.499 0.161 -1.427 376 HB3 ALA 66 HB3 ALA 66 9.560 -0.180 -2.793 377 H TRP 67 HN TRP 67 7.337 -1.702 -0.550 378 HA TRP 67 HA TRP 67 6.822 -4.037 -2.234 379 HB2 TRP 67 HB2 TRP 67 5.223 -2.709 -0.039 380 HB3 TRP 67 HB1 TRP 67 4.550 -3.958 -1.079 381 HD1 TRP 67 HD1 TRP 67 7.193 -3.484 1.678 382 HE1 TRP 67 HE1 TRP 67 7.696 -5.777 2.725 383 HE3 TRP 67 HE3 TRP 67 4.474 -6.422 -1.483 384 HZ2 TRP 67 HZ2 TRP 67 7.027 -8.477 2.268 385 HZ3 TRP 67 HZ3 TRP 67 4.453 -8.853 -1.110 386 HH2 TRP 67 HH2 TRP 67 5.703 -9.858 0.726 387 H GLU 68 HN GLU 68 5.106 -3.994 -3.750 388 HA GLU 68 HA GLU 68 3.964 -1.347 -4.299 389 HB2 GLU 68 HB2 GLU 68 4.106 -1.662 -6.661 390 HB3 GLU 68 HB1 GLU 68 5.706 -1.966 -6.006 391 HG2 GLU 68 HG2 GLU 68 5.378 -4.344 -6.215 392 HG3 GLU 68 HG1 GLU 68 3.714 -4.088 -6.748 393 H ILE 69 HN ILE 69 1.927 -1.629 -5.695 394 HA ILE 69 HA ILE 69 0.391 -3.750 -4.370 395 HB ILE 69 HB ILE 69 -0.266 -1.400 -3.906 396 HG12 ILE 69 HG12 ILE 69 -2.267 -3.128 -5.376 397 HG13 ILE 69 HG11 ILE 69 -1.904 -3.169 -3.655 398 HG21 ILE 69 HG21 ILE 69 0.280 -0.411 -6.053 399 HG22 ILE 69 HG22 ILE 69 -1.412 -0.110 -5.657 400 HG23 ILE 69 HG23 ILE 69 -0.988 -1.355 -6.832 401 HD11 ILE 69 HD11 ILE 69 -3.208 -0.910 -5.148 402 HD12 ILE 69 HD12 ILE 69 -2.812 -0.909 -3.428 403 HD13 ILE 69 HD13 ILE 69 -3.998 -2.051 -4.060 404 H THR 70 HN THR 70 -0.951 -5.087 -5.502 405 HA THR 70 HA THR 70 -0.665 -5.222 -8.372 406 HB THR 70 HB THR 70 -2.150 -7.187 -8.186 407 HG1 THR 70 HG1 THR 70 -3.457 -7.223 -6.525 408 HG21 THR 70 HG21 THR 70 0.251 -7.500 -7.836 409 HG22 THR 70 HG22 THR 70 -0.680 -8.603 -6.824 410 HG23 THR 70 HG23 THR 70 0.051 -7.164 -6.116 411 H ALA 71 HN ALA 71 -2.602 -5.195 -9.779 412 HA ALA 71 HA ALA 71 -4.006 -2.782 -9.394 413 HB1 ALA 71 HB1 ALA 71 -4.523 -4.995 -11.370 414 HB2 ALA 71 HB2 ALA 71 -3.453 -3.613 -11.600 415 HB3 ALA 71 HB3 ALA 71 -5.192 -3.366 -11.452 416 H SER 72 HN SER 72 -4.730 -6.031 -8.515 417 HA SER 72 HA SER 72 -7.545 -5.760 -8.244 418 HB2 SER 72 HB2 SER 72 -7.179 -7.818 -6.718 419 HB3 SER 72 HB1 SER 72 -6.764 -7.967 -8.422 420 HG SER 72 HG SER 72 -4.790 -8.345 -7.856 421 H GLY 73 HN GLY 73 -4.826 -5.083 -6.133 422 HA2 GLY 73 HA2 GLY 73 -6.122 -5.347 -3.660 423 HA3 GLY 73 HA1 GLY 73 -4.673 -4.400 -3.952 424 H THR 74 HN THR 74 -5.956 -2.667 -5.877 425 HA THR 74 HA THR 74 -6.631 -0.590 -4.137 426 HB THR 74 HB THR 74 -7.248 -0.796 -7.087 427 HG1 THR 74 HG1 THR 74 -4.896 -0.601 -5.676 428 HG21 THR 74 HG21 THR 74 -6.806 1.595 -5.292 429 HG22 THR 74 HG22 THR 74 -8.334 1.112 -6.025 430 HG23 THR 74 HG23 THR 74 -7.001 1.655 -7.045 431 H ARG 75 HN ARG 75 -8.673 -2.986 -5.709 432 HA ARG 75 HA ARG 75 -11.047 -1.379 -5.593 433 HB2 ARG 75 HB2 ARG 75 -10.689 -4.342 -6.053 434 HB3 ARG 75 HB1 ARG 75 -12.205 -3.475 -6.243 435 HG2 ARG 75 HG2 ARG 75 -11.240 -2.147 -8.037 436 HG3 ARG 75 HG1 ARG 75 -9.696 -2.978 -7.830 437 HD2 ARG 75 HD2 ARG 75 -10.735 -5.095 -8.420 438 HD3 ARG 75 HD1 ARG 75 -12.302 -4.303 -8.566 439 HE ARG 75 HE ARG 75 -10.386 -3.090 -10.272 440 HH11 ARG 75 HH11 ARG 75 -12.416 -5.920 -9.955 441 HH12 ARG 75 HH12 ARG 75 -12.542 -6.181 -11.664 442 HH21 ARG 75 HH21 ARG 75 -10.538 -3.433 -12.525 443 HH22 ARG 75 HH22 ARG 75 -11.473 -4.764 -13.129 444 H PHE 76 HN PHE 76 -10.101 -4.360 -3.846 445 HA PHE 76 HA PHE 76 -12.414 -4.184 -2.185 446 HB2 PHE 76 HB2 PHE 76 -11.153 -6.080 -0.911 447 HB3 PHE 76 HB1 PHE 76 -11.876 -6.369 -2.477 448 HD1 PHE 76 HD1 PHE 76 -8.659 -5.701 -0.772 449 HD2 PHE 76 HD2 PHE 76 -10.615 -7.114 -4.276 450 HE1 PHE 76 HE1 PHE 76 -6.520 -6.587 -1.608 451 HE2 PHE 76 HE2 PHE 76 -8.483 -7.994 -5.120 452 HZ PHE 76 HZ PHE 76 -6.432 -7.733 -3.790 453 H LEU 77 HN LEU 77 -9.026 -3.474 -1.696 454 HA LEU 77 HA LEU 77 -9.228 -3.342 1.121 455 HB2 LEU 77 HB2 LEU 77 -7.041 -3.541 0.888 456 HB3 LEU 77 HB1 LEU 77 -7.174 -3.215 -0.830 457 HG LEU 77 HG LEU 77 -7.279 -0.796 0.800 458 HD11 LEU 77 HD11 LEU 77 -5.793 -2.053 2.222 459 HD12 LEU 77 HD12 LEU 77 -4.881 -0.837 1.328 460 HD13 LEU 77 HD13 LEU 77 -4.818 -2.527 0.830 461 HD21 LEU 77 HD21 LEU 77 -7.039 -0.735 -1.608 462 HD22 LEU 77 HD22 LEU 77 -5.575 -1.715 -1.514 463 HD23 LEU 77 HD23 LEU 77 -5.587 -0.082 -0.848 464 H LYS 78 HN LYS 78 -9.040 -0.691 -1.305 465 HA LYS 78 HA LYS 78 -9.128 1.329 0.693 466 HB2 LYS 78 HB2 LYS 78 -8.187 1.837 -1.505 467 HB3 LYS 78 HB1 LYS 78 -9.760 1.575 -2.252 468 HG2 LYS 78 HG2 LYS 78 -10.659 3.441 -0.857 469 HG3 LYS 78 HG1 LYS 78 -9.014 3.748 -0.302 470 HD2 LYS 78 HD2 LYS 78 -9.566 5.290 -2.060 471 HD3 LYS 78 HD1 LYS 78 -8.340 4.166 -2.635 472 HE2 LYS 78 HE2 LYS 78 -11.253 3.685 -3.167 473 HE3 LYS 78 HE1 LYS 78 -10.314 4.771 -4.187 474 HZ1 LYS 78 HZ1 LYS 78 -8.716 2.803 -4.386 475 HZ2 LYS 78 HZ2 LYS 78 -10.165 2.741 -5.253 476 HZ3 LYS 78 HZ3 LYS 78 -10.005 1.858 -3.824 477 H ARG 79 HN ARG 79 -11.564 -0.531 -0.872 478 HA ARG 79 HA ARG 79 -13.754 1.175 -0.798 479 HB2 ARG 79 HB2 ARG 79 -15.025 -0.630 -1.357 480 HB3 ARG 79 HB1 ARG 79 -13.439 -1.288 -1.716 481 HG2 ARG 79 HG2 ARG 79 -13.429 -2.368 0.510 482 HG3 ARG 79 HG1 ARG 79 -15.073 -1.779 0.763 483 HD2 ARG 79 HD2 ARG 79 -14.110 -3.726 -1.320 484 HD3 ARG 79 HD1 ARG 79 -15.230 -4.034 0.003 485 HE ARG 79 HE ARG 79 -16.578 -2.192 -1.328 486 HH11 ARG 79 HH11 ARG 79 -14.845 -4.987 -2.517 487 HH12 ARG 79 HH12 ARG 79 -15.826 -5.150 -3.939 488 HH21 ARG 79 HH21 ARG 79 -17.880 -2.410 -3.209 489 HH22 ARG 79 HH22 ARG 79 -17.547 -3.690 -4.329 490 H MET 80 HN MET 80 -12.064 -0.178 1.834 491 HA MET 80 HA MET 80 -14.207 -0.118 3.742 492 HB2 MET 80 HB2 MET 80 -11.212 -0.142 4.131 493 HB3 MET 80 HB1 MET 80 -12.393 -0.353 5.413 494 HG2 MET 80 HG2 MET 80 -13.191 -2.395 4.354 495 HG3 MET 80 HG1 MET 80 -12.032 -2.175 3.044 496 HE1 MET 80 HE1 MET 80 -12.495 -2.752 6.870 497 HE2 MET 80 HE2 MET 80 -11.353 -1.408 6.871 498 HE3 MET 80 HE3 MET 80 -10.840 -3.003 7.421 499 H GLY 81 HN GLY 81 -13.278 2.345 2.075 500 HA2 GLY 81 HA2 GLY 81 -14.208 4.481 2.747 501 HA3 GLY 81 HA1 GLY 81 -13.531 4.207 4.345 502 H GLY 82 HN GLY 82 -10.962 3.330 3.523 503 HA2 GLY 82 HA2 GLY 82 -8.913 4.107 2.837 504 HA3 GLY 82 HA1 GLY 82 -9.756 5.166 1.719 505 H CYS 83 HN CYS 83 -8.188 4.889 4.772 506 HA CYS 83 HA CYS 83 -7.267 6.432 6.151 507 HB2 CYS 83 HB2 CYS 83 -6.641 7.512 3.969 508 HB3 CYS 83 HB1 CYS 83 -8.086 8.503 4.114 509 HG CYS 83 HG CYS 83 -5.410 8.546 6.260 510 H VAL 84 HN VAL 84 -10.182 5.781 6.211 511 HA VAL 84 HA VAL 84 -10.849 7.912 8.106 512 HB VAL 84 HB VAL 84 -13.303 7.577 7.505 513 HG11 VAL 84 HG11 VAL 84 -12.116 9.616 6.975 514 HG12 VAL 84 HG12 VAL 84 -13.192 9.185 5.645 515 HG13 VAL 84 HG13 VAL 84 -11.459 8.884 5.511 516 HG21 VAL 84 HG21 VAL 84 -13.064 5.561 6.147 517 HG22 VAL 84 HG22 VAL 84 -12.091 6.453 4.980 518 HG23 VAL 84 HG23 VAL 84 -13.788 6.869 5.214 Start of MODEL 4 1 H1 MET 16 HT1 MET 16 -5.698 -0.489 10.919 2 H2 MET 16 HT2 MET 16 -7.013 0.512 10.584 3 H3 MET 16 HT3 MET 16 -5.442 1.065 10.305 4 HA MET 16 HA MET 16 -5.121 -0.616 8.604 5 HB2 MET 16 HB2 MET 16 -7.024 -1.922 7.814 6 HB3 MET 16 HB1 MET 16 -6.690 -2.273 9.502 7 HG2 MET 16 HG2 MET 16 -8.545 -0.845 10.176 8 HG3 MET 16 HG1 MET 16 -8.868 -0.458 8.488 9 HE1 MET 16 HE1 MET 16 -7.782 -3.999 9.871 10 HE2 MET 16 HE2 MET 16 -9.353 -4.686 10.282 11 HE3 MET 16 HE3 MET 16 -8.736 -3.296 11.177 12 H SER 17 HN SER 17 -7.370 1.875 9.371 13 HA SER 17 HA SER 17 -8.555 2.305 6.874 14 HB2 SER 17 HB2 SER 17 -7.955 4.349 9.020 15 HB3 SER 17 HB1 SER 17 -9.161 4.501 7.741 16 HG SER 17 HG SER 17 -10.326 2.837 8.660 17 H ASP 18 HN ASP 18 -5.636 3.755 8.301 18 HA ASP 18 HA ASP 18 -5.123 5.440 6.053 19 HB2 ASP 18 HB2 ASP 18 -3.335 4.558 8.328 20 HB3 ASP 18 HB1 ASP 18 -2.878 5.758 7.123 21 H TYR 19 HN TYR 19 -4.008 2.289 7.109 22 HA TYR 19 HA TYR 19 -1.940 1.861 5.308 23 HB2 TYR 19 HB2 TYR 19 -1.859 0.024 6.595 24 HB3 TYR 19 HB1 TYR 19 -3.506 0.287 7.146 25 HD1 TYR 19 HD1 TYR 19 -5.195 -1.226 6.535 26 HD2 TYR 19 HD2 TYR 19 -1.557 -1.170 4.333 27 HE1 TYR 19 HE1 TYR 19 -5.900 -3.236 5.319 28 HE2 TYR 19 HE2 TYR 19 -2.259 -3.177 3.111 29 HH TYR 19 HH TYR 19 -3.837 -5.135 3.578 30 H LEU 20 HN LEU 20 -5.408 1.514 4.880 31 HA LEU 20 HA LEU 20 -5.519 -0.048 2.616 32 HB2 LEU 20 HB2 LEU 20 -7.294 2.293 3.287 33 HB3 LEU 20 HB1 LEU 20 -7.682 1.018 2.149 34 HG LEU 20 HG LEU 20 -7.279 0.639 5.119 35 HD11 LEU 20 HD11 LEU 20 -9.331 1.827 4.651 36 HD12 LEU 20 HD12 LEU 20 -9.680 0.175 5.158 37 HD13 LEU 20 HD13 LEU 20 -9.784 0.615 3.455 38 HD21 LEU 20 HD21 LEU 20 -8.112 -1.306 2.974 39 HD22 LEU 20 HD22 LEU 20 -8.149 -1.622 4.709 40 HD23 LEU 20 HD23 LEU 20 -6.609 -1.335 3.899 41 H LYS 21 HN LYS 21 -5.245 3.502 2.756 42 HA LYS 21 HA LYS 21 -5.081 3.601 -0.121 43 HB2 LYS 21 HB2 LYS 21 -4.946 5.761 1.963 44 HB3 LYS 21 HB1 LYS 21 -4.779 6.055 0.236 45 HG2 LYS 21 HG2 LYS 21 -7.014 4.960 -0.074 46 HG3 LYS 21 HG1 LYS 21 -7.173 4.952 1.686 47 HD2 LYS 21 HD2 LYS 21 -8.311 6.880 0.700 48 HD3 LYS 21 HD1 LYS 21 -6.964 7.387 1.718 49 HE2 LYS 21 HE2 LYS 21 -7.064 8.670 -0.369 50 HE3 LYS 21 HE1 LYS 21 -5.577 7.736 -0.248 51 HZ1 LYS 21 HZ1 LYS 21 -6.536 7.606 -2.459 52 HZ2 LYS 21 HZ2 LYS 21 -7.970 6.969 -1.829 53 HZ3 LYS 21 HZ3 LYS 21 -6.534 6.080 -1.723 54 H VAL 22 HN VAL 22 -2.823 3.246 2.411 55 HA VAL 22 HA VAL 22 -0.608 4.674 1.578 56 HB VAL 22 HB VAL 22 -0.842 1.988 2.924 57 HG11 VAL 22 HG11 VAL 22 1.564 1.947 3.298 58 HG12 VAL 22 HG12 VAL 22 1.759 3.395 2.307 59 HG13 VAL 22 HG13 VAL 22 1.207 1.889 1.571 60 HG21 VAL 22 HG21 VAL 22 0.185 3.248 4.804 61 HG22 VAL 22 HG22 VAL 22 -1.374 3.895 4.287 62 HG23 VAL 22 HG23 VAL 22 0.119 4.705 3.811 63 H LEU 23 HN LEU 23 -1.312 1.300 0.677 64 HA LEU 23 HA LEU 23 0.767 1.270 -1.263 65 HB2 LEU 23 HB2 LEU 23 -1.027 -0.860 -1.761 66 HB3 LEU 23 HB1 LEU 23 0.565 -0.912 -1.032 67 HG LEU 23 HG LEU 23 -0.659 -0.308 1.163 68 HD11 LEU 23 HD11 LEU 23 -2.806 0.249 0.119 69 HD12 LEU 23 HD12 LEU 23 -2.954 -1.062 1.291 70 HD13 LEU 23 HD13 LEU 23 -2.958 -1.420 -0.436 71 HD21 LEU 23 HD21 LEU 23 -1.048 -3.009 -0.111 72 HD22 LEU 23 HD22 LEU 23 -1.059 -2.646 1.615 73 HD23 LEU 23 HD23 LEU 23 0.423 -2.445 0.683 74 H GLN 24 HN GLN 24 -2.789 1.459 -1.550 75 HA GLN 24 HA GLN 24 -2.653 1.123 -4.377 76 HB2 GLN 24 HB2 GLN 24 -5.051 1.517 -4.403 77 HB3 GLN 24 HB1 GLN 24 -4.597 0.316 -3.207 78 HG2 GLN 24 HG2 GLN 24 -6.163 1.570 -2.078 79 HG3 GLN 24 HG1 GLN 24 -4.654 2.311 -1.554 80 HE21 GLN 24 HE21 GLN 24 -6.023 2.828 -4.726 81 HE22 GLN 24 HE22 GLN 24 -6.458 4.480 -4.486 82 H ALA 25 HN ALA 25 -2.596 3.937 -2.340 83 HA ALA 25 HA ALA 25 -3.648 5.801 -4.120 84 HB1 ALA 25 HB1 ALA 25 -3.193 6.322 -1.785 85 HB2 ALA 25 HB2 ALA 25 -2.449 7.500 -2.867 86 HB3 ALA 25 HB3 ALA 25 -1.460 6.254 -2.105 87 H ILE 26 HN ILE 26 -0.208 4.884 -3.700 88 HA ILE 26 HA ILE 26 0.909 6.660 -5.467 89 HB ILE 26 HB ILE 26 2.288 5.259 -4.058 90 HG12 ILE 26 HG12 ILE 26 2.911 4.803 -6.973 91 HG13 ILE 26 HG11 ILE 26 3.297 6.259 -6.064 92 HG21 ILE 26 HG21 ILE 26 1.535 2.971 -5.856 93 HG22 ILE 26 HG22 ILE 26 1.044 3.183 -4.175 94 HG23 ILE 26 HG23 ILE 26 2.744 2.925 -4.571 95 HD11 ILE 26 HD11 ILE 26 5.240 4.829 -6.327 96 HD12 ILE 26 HD12 ILE 26 4.389 3.506 -5.530 97 HD13 ILE 26 HD13 ILE 26 4.785 4.970 -4.630 98 H LYS 27 HN LYS 27 -0.611 3.561 -6.319 99 HA LYS 27 HA LYS 27 0.265 3.703 -9.036 100 HB2 LYS 27 HB2 LYS 27 -1.094 1.718 -9.366 101 HB3 LYS 27 HB1 LYS 27 -0.123 1.565 -7.923 102 HG2 LYS 27 HG2 LYS 27 -2.061 0.752 -7.118 103 HG3 LYS 27 HG1 LYS 27 -2.325 2.461 -6.779 104 HD2 LYS 27 HD2 LYS 27 -4.325 1.835 -7.765 105 HD3 LYS 27 HD1 LYS 27 -3.427 2.499 -9.129 106 HE2 LYS 27 HE2 LYS 27 -3.459 -0.437 -8.465 107 HE3 LYS 27 HE1 LYS 27 -4.648 0.309 -9.528 108 HZ1 LYS 27 HZ1 LYS 27 -2.779 1.052 -10.938 109 HZ2 LYS 27 HZ2 LYS 27 -2.909 -0.626 -10.839 110 HZ3 LYS 27 HZ3 LYS 27 -1.713 0.176 -9.959 111 H SER 28 HN SER 28 -2.492 4.805 -7.262 112 HA SER 28 HA SER 28 -4.045 5.230 -9.703 113 HB2 SER 28 HB2 SER 28 -5.177 4.140 -7.837 114 HB3 SER 28 HB1 SER 28 -4.813 5.512 -6.793 115 HG SER 28 HG SER 28 -6.303 5.759 -9.192 116 H CYS 29 HN CYS 29 -2.870 7.114 -6.911 117 HA CYS 29 HA CYS 29 -3.179 9.582 -8.444 118 HB2 CYS 29 HB2 CYS 29 -4.482 9.140 -5.745 119 HB3 CYS 29 HB1 CYS 29 -4.461 10.656 -6.641 120 HG CYS 29 HG CYS 29 -5.913 7.840 -7.924 121 HA PRO 30 HA PRO 30 0.645 10.359 -6.298 122 HB2 PRO 30 HB2 PRO 30 0.936 12.976 -6.909 123 HB3 PRO 30 HB1 PRO 30 1.183 11.686 -8.090 124 HG2 PRO 30 HG2 PRO 30 -1.213 13.432 -7.669 125 HG3 PRO 30 HG1 PRO 30 -0.433 12.952 -9.187 126 HD2 PRO 30 HD2 PRO 30 -2.677 11.754 -8.257 127 HD3 PRO 30 HD1 PRO 30 -1.452 10.887 -9.204 128 H LYS 31 HN LYS 31 -1.553 10.299 -4.586 129 HA LYS 31 HA LYS 31 -0.796 12.373 -2.648 130 HB2 LYS 31 HB2 LYS 31 -3.631 11.445 -3.195 131 HB3 LYS 31 HB1 LYS 31 -3.148 12.531 -1.899 132 HG2 LYS 31 HG2 LYS 31 -2.433 14.182 -3.543 133 HG3 LYS 31 HG1 LYS 31 -2.891 13.090 -4.849 134 HD2 LYS 31 HD2 LYS 31 -4.785 14.168 -2.765 135 HD3 LYS 31 HD1 LYS 31 -4.584 14.841 -4.383 136 HE2 LYS 31 HE2 LYS 31 -5.277 12.693 -5.349 137 HE3 LYS 31 HE1 LYS 31 -5.493 12.041 -3.725 138 HZ1 LYS 31 HZ1 LYS 31 -7.203 13.683 -3.317 139 HZ2 LYS 31 HZ2 LYS 31 -7.586 12.770 -4.686 140 HZ3 LYS 31 HZ3 LYS 31 -6.986 14.341 -4.861 141 H THR 32 HN THR 32 0.257 11.161 -1.185 142 HA THR 32 HA THR 32 0.838 9.447 0.196 143 HB THR 32 HB THR 32 -1.849 8.193 -0.425 144 HG1 THR 32 HG1 THR 32 -1.317 10.410 0.908 145 HG21 THR 32 HG21 THR 32 -0.206 6.621 0.504 146 HG22 THR 32 HG22 THR 32 -1.493 6.959 1.662 147 HG23 THR 32 HG23 THR 32 0.086 7.721 1.851 148 H PHE 33 HN PHE 33 2.021 7.549 -0.150 149 HA PHE 33 HA PHE 33 1.746 6.252 -2.709 150 HB2 PHE 33 HB2 PHE 33 3.960 6.870 -3.526 151 HB3 PHE 33 HB1 PHE 33 2.970 8.301 -3.280 152 HD1 PHE 33 HD1 PHE 33 6.178 7.289 -3.087 153 HD2 PHE 33 HD2 PHE 33 3.210 9.032 -0.587 154 HE1 PHE 33 HE1 PHE 33 7.943 8.251 -1.668 155 HE2 PHE 33 HE2 PHE 33 4.968 10.005 0.826 156 HZ PHE 33 HZ PHE 33 7.369 9.657 0.218 157 H GLN 34 HN GLN 34 3.499 4.606 -3.055 158 HA GLN 34 HA GLN 34 4.208 3.383 -0.473 159 HB2 GLN 34 HB2 GLN 34 2.339 2.409 -2.073 160 HB3 GLN 34 HB1 GLN 34 3.725 1.750 -2.923 161 HG2 GLN 34 HG2 GLN 34 4.435 0.802 -0.664 162 HG3 GLN 34 HG1 GLN 34 2.794 1.177 -0.138 163 HE21 GLN 34 HE21 GLN 34 3.964 -1.404 -0.295 164 HE22 GLN 34 HE22 GLN 34 3.053 -2.318 -1.442 165 H SER 35 HN SER 35 5.764 5.075 -2.525 166 HA SER 35 HA SER 35 7.593 3.316 -3.800 167 HB2 SER 35 HB2 SER 35 7.104 5.677 -4.519 168 HB3 SER 35 HB1 SER 35 8.060 6.227 -3.143 169 HG SER 35 HG SER 35 8.876 4.941 -5.495 170 H ASN 36 HN ASN 36 8.932 5.826 -1.729 171 HA ASN 36 HA ASN 36 10.606 3.812 -0.444 172 HB2 ASN 36 HB2 ASN 36 11.986 5.644 0.317 173 HB3 ASN 36 HB1 ASN 36 11.647 5.879 -1.393 174 HD21 ASN 36 HD21 ASN 36 12.451 7.806 0.618 175 HD22 ASN 36 HD22 ASN 36 11.224 9.022 0.635 176 H TYR 37 HN TYR 37 7.742 5.333 0.037 177 HA TYR 37 HA TYR 37 7.647 5.953 2.752 178 HB2 TYR 37 HB2 TYR 37 5.904 6.531 1.080 179 HB3 TYR 37 HB1 TYR 37 5.433 4.838 1.015 180 HD1 TYR 37 HD1 TYR 37 4.007 3.897 2.665 181 HD2 TYR 37 HD2 TYR 37 5.517 7.842 3.164 182 HE1 TYR 37 HE1 TYR 37 2.420 4.267 4.504 183 HE2 TYR 37 HE2 TYR 37 3.934 8.223 5.007 184 HH TYR 37 HH TYR 37 1.784 7.341 5.805 185 H VAL 38 HN VAL 38 7.500 2.903 1.073 186 HA VAL 38 HA VAL 38 6.481 1.205 3.001 187 HB VAL 38 HB VAL 38 8.709 0.683 1.029 188 HG11 VAL 38 HG11 VAL 38 8.246 -1.679 1.324 189 HG12 VAL 38 HG12 VAL 38 7.027 -1.311 2.545 190 HG13 VAL 38 HG13 VAL 38 8.727 -0.961 2.861 191 HG21 VAL 38 HG21 VAL 38 6.942 -0.324 -0.317 192 HG22 VAL 38 HG22 VAL 38 6.602 1.371 0.020 193 HG23 VAL 38 HG23 VAL 38 5.756 0.108 0.913 194 H ARG 39 HN ARG 39 9.864 2.256 2.581 195 HA ARG 39 HA ARG 39 10.873 0.818 4.780 196 HB2 ARG 39 HB2 ARG 39 11.865 3.196 3.266 197 HB3 ARG 39 HB1 ARG 39 12.674 2.715 4.750 198 HG2 ARG 39 HG2 ARG 39 13.892 1.643 3.101 199 HG3 ARG 39 HG1 ARG 39 12.806 0.384 3.685 200 HD2 ARG 39 HD2 ARG 39 12.801 0.247 1.319 201 HD3 ARG 39 HD1 ARG 39 11.266 0.982 1.785 202 HE ARG 39 HE ARG 39 12.647 3.163 1.318 203 HH11 ARG 39 HH11 ARG 39 12.716 0.167 -0.493 204 HH12 ARG 39 HH12 ARG 39 13.082 0.947 -2.003 205 HH21 ARG 39 HH21 ARG 39 13.167 4.179 -0.676 206 HH22 ARG 39 HH22 ARG 39 13.337 3.212 -2.105 207 H ASN 40 HN ASN 40 8.934 3.643 4.726 208 HA ASN 40 HA ASN 40 9.674 4.444 7.418 209 HB2 ASN 40 HB2 ASN 40 7.681 5.486 5.419 210 HB3 ASN 40 HB1 ASN 40 7.636 6.010 7.098 211 HD21 ASN 40 HD21 ASN 40 8.192 7.517 4.653 212 HD22 ASN 40 HD22 ASN 40 9.747 8.236 4.889 213 H ASN 41 HN ASN 41 6.727 3.230 5.812 214 HA ASN 41 HA ASN 41 5.828 2.264 8.445 215 HB2 ASN 41 HB2 ASN 41 4.269 3.679 6.305 216 HB3 ASN 41 HB1 ASN 41 3.459 2.550 7.386 217 HD21 ASN 41 HD21 ASN 41 3.152 5.458 7.139 218 HD22 ASN 41 HD22 ASN 41 3.490 6.092 8.714 219 H ALA 42 HN ALA 42 7.303 0.538 7.158 220 HA ALA 42 HA ALA 42 6.127 -1.122 5.247 221 HB1 ALA 42 HB1 ALA 42 7.728 -2.810 5.946 222 HB2 ALA 42 HB2 ALA 42 8.043 -1.924 7.437 223 HB3 ALA 42 HB3 ALA 42 8.499 -1.224 5.883 224 H SER 43 HN SER 43 5.658 -0.932 8.696 225 HA SER 43 HA SER 43 4.391 -3.410 9.091 226 HB2 SER 43 HB2 SER 43 3.818 -0.884 10.638 227 HB3 SER 43 HB1 SER 43 3.727 -2.550 11.208 228 HG SER 43 HG SER 43 5.957 -2.694 11.086 229 H LEU 44 HN LEU 44 3.195 -0.275 8.011 230 HA LEU 44 HA LEU 44 0.438 -0.974 8.115 231 HB2 LEU 44 HB2 LEU 44 1.879 1.105 6.463 232 HB3 LEU 44 HB1 LEU 44 0.136 0.934 6.520 233 HG LEU 44 HG LEU 44 1.952 1.734 8.795 234 HD11 LEU 44 HD11 LEU 44 -0.254 3.224 7.377 235 HD12 LEU 44 HD12 LEU 44 1.473 3.486 7.144 236 HD13 LEU 44 HD13 LEU 44 0.733 3.830 8.706 237 HD21 LEU 44 HD21 LEU 44 -0.128 2.003 10.097 238 HD22 LEU 44 HD22 LEU 44 0.209 0.322 9.683 239 HD23 LEU 44 HD23 LEU 44 -1.019 1.221 8.792 240 H VAL 45 HN VAL 45 2.916 -1.091 5.598 241 HA VAL 45 HA VAL 45 1.245 -2.025 3.524 242 HB VAL 45 HB VAL 45 4.202 -2.580 3.856 243 HG11 VAL 45 HG11 VAL 45 4.214 -2.751 1.424 244 HG12 VAL 45 HG12 VAL 45 2.470 -2.503 1.395 245 HG13 VAL 45 HG13 VAL 45 3.143 -3.950 2.147 246 HG21 VAL 45 HG21 VAL 45 2.843 -0.244 2.521 247 HG22 VAL 45 HG22 VAL 45 4.577 -0.572 2.526 248 HG23 VAL 45 HG23 VAL 45 3.748 -0.189 4.035 249 H ALA 46 HN ALA 46 2.901 -3.645 6.152 250 HA ALA 46 HA ALA 46 2.749 -6.290 5.215 251 HB1 ALA 46 HB1 ALA 46 4.168 -5.630 7.085 252 HB2 ALA 46 HB2 ALA 46 3.087 -6.945 7.547 253 HB3 ALA 46 HB3 ALA 46 2.739 -5.294 8.063 254 H GLU 47 HN GLU 47 0.400 -4.250 6.807 255 HA GLU 47 HA GLU 47 -1.506 -6.110 7.594 256 HB2 GLU 47 HB2 GLU 47 -1.717 -3.274 6.633 257 HB3 GLU 47 HB1 GLU 47 -3.153 -4.195 7.056 258 HG2 GLU 47 HG2 GLU 47 -0.837 -3.806 8.927 259 HG3 GLU 47 HG1 GLU 47 -2.229 -2.726 8.863 260 H ALA 48 HN ALA 48 -0.672 -4.978 4.427 261 HA ALA 48 HA ALA 48 -2.975 -5.587 2.980 262 HB1 ALA 48 HB1 ALA 48 -0.200 -5.983 1.931 263 HB2 ALA 48 HB2 ALA 48 -0.877 -4.386 2.225 264 HB3 ALA 48 HB3 ALA 48 -1.644 -5.466 1.059 265 H ALA 49 HN ALA 49 -0.534 -7.699 4.289 266 HA ALA 49 HA ALA 49 -1.068 -9.961 2.681 267 HB1 ALA 49 HB1 ALA 49 0.038 -11.243 4.453 268 HB2 ALA 49 HB2 ALA 49 -0.029 -9.835 5.512 269 HB3 ALA 49 HB3 ALA 49 0.948 -9.790 4.046 270 H SER 50 HN SER 50 -2.688 -8.506 5.366 271 HA SER 50 HA SER 50 -4.360 -10.736 6.008 272 HB2 SER 50 HB2 SER 50 -3.926 -8.952 7.644 273 HB3 SER 50 HB1 SER 50 -4.707 -7.780 6.586 274 HG SER 50 HG SER 50 -5.886 -9.984 7.918 275 H ARG 51 HN ARG 51 -4.706 -7.801 4.031 276 HA ARG 51 HA ARG 51 -7.343 -8.469 3.169 277 HB2 ARG 51 HB2 ARG 51 -5.391 -6.342 2.606 278 HB3 ARG 51 HB1 ARG 51 -6.457 -6.731 1.267 279 HG2 ARG 51 HG2 ARG 51 -7.427 -4.951 2.553 280 HG3 ARG 51 HG1 ARG 51 -8.400 -6.406 2.762 281 HD2 ARG 51 HD2 ARG 51 -6.945 -6.779 4.877 282 HD3 ARG 51 HD1 ARG 51 -6.547 -5.067 4.699 283 HE ARG 51 HE ARG 51 -9.168 -4.906 4.637 284 HH11 ARG 51 HH11 ARG 51 -7.167 -6.883 6.741 285 HH12 ARG 51 HH12 ARG 51 -8.310 -6.867 8.044 286 HH21 ARG 51 HH21 ARG 51 -10.658 -4.883 6.370 287 HH22 ARG 51 HH22 ARG 51 -10.291 -5.745 7.830 288 H GLY 52 HN GLY 52 -4.104 -9.037 1.902 289 HA2 GLY 52 HA2 GLY 52 -3.819 -11.301 1.090 290 HA3 GLY 52 HA1 GLY 52 -5.376 -11.159 0.305 291 H HIS 53 HN HIS 53 -3.254 -8.398 -0.053 292 HA HIS 53 HA HIS 53 -2.041 -9.525 -2.430 293 HB2 HIS 53 HB2 HIS 53 -4.273 -7.572 -2.591 294 HB3 HIS 53 HB1 HIS 53 -2.938 -7.387 -3.725 295 HD1 HIS 53 HD1 HIS 53 -5.982 -9.339 -3.124 296 HD2 HIS 53 HD2 HIS 53 -2.513 -9.742 -5.377 297 HE1 HIS 53 HE1 HIS 53 -6.477 -11.131 -4.809 298 HE2 HIS 53 HE2 HIS 53 -4.418 -11.259 -6.249 299 H ILE 54 HN ILE 54 -0.074 -8.898 -2.579 300 HA ILE 54 HA ILE 54 0.684 -6.153 -2.671 301 HB ILE 54 HB ILE 54 2.676 -6.886 -0.968 302 HG12 ILE 54 HG12 ILE 54 0.113 -7.882 0.293 303 HG13 ILE 54 HG11 ILE 54 1.430 -8.909 -0.261 304 HG21 ILE 54 HG21 ILE 54 0.165 -5.372 -0.305 305 HG22 ILE 54 HG22 ILE 54 1.630 -4.726 -1.045 306 HG23 ILE 54 HG23 ILE 54 1.666 -5.311 0.617 307 HD11 ILE 54 HD11 ILE 54 2.913 -7.931 1.388 308 HD12 ILE 54 HD12 ILE 54 1.465 -8.578 2.159 309 HD13 ILE 54 HD13 ILE 54 1.633 -6.840 1.916 310 H SER 55 HN SER 55 2.968 -5.924 -3.319 311 HA SER 55 HA SER 55 4.179 -8.405 -4.309 312 HB2 SER 55 HB2 SER 55 2.941 -7.333 -6.173 313 HB3 SER 55 HB1 SER 55 3.882 -5.862 -5.930 314 HG SER 55 HG SER 55 4.627 -8.302 -7.052 315 H CYS 56 HN CYS 56 6.368 -8.490 -3.981 316 HA CYS 56 HA CYS 56 7.584 -6.078 -2.801 317 HB2 CYS 56 HB2 CYS 56 9.091 -7.669 -1.608 318 HB3 CYS 56 HB1 CYS 56 7.394 -7.842 -1.172 319 HG CYS 56 HG CYS 56 8.330 -9.857 -3.666 320 H ALA 57 HN ALA 57 9.374 -5.247 -3.674 321 HA ALA 57 HA ALA 57 10.520 -6.516 -6.021 322 HB1 ALA 57 HB1 ALA 57 10.057 -4.109 -6.042 323 HB2 ALA 57 HB2 ALA 57 11.770 -4.444 -6.290 324 HB3 ALA 57 HB3 ALA 57 11.201 -3.881 -4.720 325 H THR 58 HN THR 58 11.730 -5.294 -2.896 326 HA THR 58 HA THR 58 13.436 -7.606 -2.701 327 HB THR 58 HB THR 58 14.698 -4.868 -2.533 328 HG1 THR 58 HG1 THR 58 14.304 -6.577 -4.610 329 HG21 THR 58 HG21 THR 58 15.939 -7.611 -2.305 330 HG22 THR 58 HG22 THR 58 15.669 -6.499 -0.963 331 HG23 THR 58 HG23 THR 58 16.797 -6.071 -2.249 332 H THR 59 HN THR 59 11.852 -4.907 -1.294 333 HA THR 59 HA THR 59 11.031 -4.488 0.770 334 HB THR 59 HB THR 59 11.952 -7.282 1.467 335 HG1 THR 59 HG1 THR 59 10.042 -7.942 0.683 336 HG21 THR 59 HG21 THR 59 11.521 -5.949 3.459 337 HG22 THR 59 HG22 THR 59 10.231 -7.132 3.233 338 HG23 THR 59 HG23 THR 59 9.962 -5.441 2.806 339 H SER 60 HN SER 60 14.143 -6.223 1.092 340 HA SER 60 HA SER 60 14.777 -4.559 3.404 341 HB2 SER 60 HB2 SER 60 16.308 -6.904 2.267 342 HB3 SER 60 HB1 SER 60 16.544 -6.152 3.843 343 HG SER 60 HG SER 60 14.290 -6.759 4.259 344 H GLY 61 HN GLY 61 15.112 -2.607 2.167 345 HA2 GLY 61 HA2 GLY 61 17.627 -1.742 2.051 346 HA3 GLY 61 HA1 GLY 61 17.442 -2.488 0.469 347 H ARG 62 HN ARG 62 17.679 0.394 1.550 348 HA ARG 62 HA ARG 62 15.245 1.627 0.640 349 HB2 ARG 62 HB2 ARG 62 16.374 3.737 0.995 350 HB3 ARG 62 HB1 ARG 62 16.687 2.678 2.359 351 HG2 ARG 62 HG2 ARG 62 18.905 2.202 1.533 352 HG3 ARG 62 HG1 ARG 62 18.594 3.144 0.073 353 HD2 ARG 62 HD2 ARG 62 18.692 4.188 2.902 354 HD3 ARG 62 HD1 ARG 62 19.903 4.447 1.649 355 HE ARG 62 HE ARG 62 17.223 5.367 1.025 356 HH11 ARG 62 HH11 ARG 62 20.391 6.208 2.239 357 HH12 ARG 62 HH12 ARG 62 20.194 7.904 1.941 358 HH21 ARG 62 HH21 ARG 62 16.947 7.588 0.638 359 HH22 ARG 62 HH22 ARG 62 18.226 8.695 1.036 360 H ASN 63 HN ASN 63 17.529 0.038 -0.960 361 HA ASN 63 HA ASN 63 17.894 1.818 -3.211 362 HB2 ASN 63 HB2 ASN 63 18.851 -0.925 -2.472 363 HB3 ASN 63 HB1 ASN 63 19.008 -0.355 -4.138 364 HD21 ASN 63 HD21 ASN 63 20.099 -0.003 -0.874 365 HD22 ASN 63 HD22 ASN 63 21.437 1.036 -1.209 366 H GLY 64 HN GLY 64 16.885 -1.593 -3.154 367 HA2 GLY 64 HA2 GLY 64 14.701 -0.864 -5.007 368 HA3 GLY 64 HA1 GLY 64 15.652 -2.332 -5.188 369 H GLY 65 HN GLY 65 15.403 -2.004 -1.988 370 HA2 GLY 65 HA2 GLY 65 13.383 -4.042 -1.794 371 HA3 GLY 65 HA1 GLY 65 14.284 -3.333 -0.463 372 H ALA 66 HN ALA 66 11.730 -2.651 -2.779 373 HA ALA 66 HA ALA 66 10.253 -1.315 -0.614 374 HB1 ALA 66 HB1 ALA 66 10.233 -0.592 -3.544 375 HB2 ALA 66 HB2 ALA 66 11.002 0.336 -2.257 376 HB3 ALA 66 HB3 ALA 66 9.247 0.158 -2.289 377 H TRP 67 HN TRP 67 7.960 -1.550 -0.743 378 HA TRP 67 HA TRP 67 7.093 -3.937 -2.206 379 HB2 TRP 67 HB2 TRP 67 5.964 -2.425 0.139 380 HB3 TRP 67 HB1 TRP 67 4.954 -3.521 -0.792 381 HD1 TRP 67 HD1 TRP 67 7.930 -3.526 1.629 382 HE1 TRP 67 HE1 TRP 67 8.191 -5.897 2.584 383 HE3 TRP 67 HE3 TRP 67 4.515 -5.963 -1.289 384 HZ2 TRP 67 HZ2 TRP 67 7.101 -8.461 2.161 385 HZ3 TRP 67 HZ3 TRP 67 4.185 -8.377 -0.949 386 HH2 TRP 67 HH2 TRP 67 5.452 -9.598 0.740 387 H GLU 68 HN GLU 68 5.137 -3.864 -3.431 388 HA GLU 68 HA GLU 68 4.005 -1.225 -3.974 389 HB2 GLU 68 HB2 GLU 68 4.054 -1.525 -6.365 390 HB3 GLU 68 HB1 GLU 68 5.691 -1.696 -5.752 391 HG2 GLU 68 HG2 GLU 68 5.422 -4.152 -5.854 392 HG3 GLU 68 HG1 GLU 68 3.836 -3.904 -6.591 393 H ILE 69 HN ILE 69 1.921 -1.536 -5.282 394 HA ILE 69 HA ILE 69 0.515 -3.802 -4.053 395 HB ILE 69 HB ILE 69 -0.213 -1.517 -3.403 396 HG12 ILE 69 HG12 ILE 69 -2.208 -3.194 -4.945 397 HG13 ILE 69 HG11 ILE 69 -1.793 -3.360 -3.245 398 HG21 ILE 69 HG21 ILE 69 0.263 -0.413 -5.529 399 HG22 ILE 69 HG22 ILE 69 -1.399 -0.128 -5.015 400 HG23 ILE 69 HG23 ILE 69 -1.060 -1.299 -6.288 401 HD11 ILE 69 HD11 ILE 69 -3.926 -2.282 -3.487 402 HD12 ILE 69 HD12 ILE 69 -3.217 -1.042 -4.521 403 HD13 ILE 69 HD13 ILE 69 -2.757 -1.143 -2.821 404 H THR 70 HN THR 70 -1.058 -4.932 -5.239 405 HA THR 70 HA THR 70 -0.601 -4.997 -8.108 406 HB THR 70 HB THR 70 -1.952 -7.047 -8.068 407 HG1 THR 70 HG1 THR 70 -3.381 -7.143 -6.500 408 HG21 THR 70 HG21 THR 70 0.425 -7.256 -7.595 409 HG22 THR 70 HG22 THR 70 -0.486 -8.420 -6.636 410 HG23 THR 70 HG23 THR 70 0.134 -6.952 -5.884 411 H ALA 71 HN ALA 71 -2.499 -5.021 -9.588 412 HA ALA 71 HA ALA 71 -4.061 -2.745 -9.319 413 HB1 ALA 71 HB1 ALA 71 -4.723 -5.174 -10.976 414 HB2 ALA 71 HB2 ALA 71 -3.613 -3.890 -11.453 415 HB3 ALA 71 HB3 ALA 71 -5.325 -3.535 -11.224 416 H SER 72 HN SER 72 -4.850 -6.091 -8.561 417 HA SER 72 HA SER 72 -7.579 -5.821 -8.102 418 HB2 SER 72 HB2 SER 72 -7.183 -7.887 -6.609 419 HB3 SER 72 HB1 SER 72 -6.747 -8.010 -8.313 420 HG SER 72 HG SER 72 -4.885 -8.608 -7.537 421 H GLY 73 HN GLY 73 -4.851 -5.174 -5.952 422 HA2 GLY 73 HA2 GLY 73 -6.246 -5.357 -3.511 423 HA3 GLY 73 HA1 GLY 73 -4.737 -4.491 -3.769 424 H THR 74 HN THR 74 -5.863 -2.796 -5.820 425 HA THR 74 HA THR 74 -6.448 -0.594 -4.203 426 HB THR 74 HB THR 74 -6.901 -0.981 -7.166 427 HG1 THR 74 HG1 THR 74 -4.684 -1.034 -5.855 428 HG21 THR 74 HG21 THR 74 -6.708 1.487 -7.288 429 HG22 THR 74 HG22 THR 74 -6.724 1.549 -5.526 430 HG23 THR 74 HG23 THR 74 -8.136 0.958 -6.397 431 H ARG 75 HN ARG 75 -8.593 -2.850 -5.861 432 HA ARG 75 HA ARG 75 -10.823 -1.050 -5.825 433 HB2 ARG 75 HB2 ARG 75 -10.653 -3.996 -6.454 434 HB3 ARG 75 HB1 ARG 75 -12.087 -3.004 -6.691 435 HG2 ARG 75 HG2 ARG 75 -10.946 -1.649 -8.315 436 HG3 ARG 75 HG1 ARG 75 -9.429 -2.495 -8.007 437 HD2 ARG 75 HD2 ARG 75 -10.367 -4.554 -8.861 438 HD3 ARG 75 HD1 ARG 75 -11.936 -3.778 -9.078 439 HE ARG 75 HE ARG 75 -10.331 -2.231 -10.576 440 HH11 ARG 75 HH11 ARG 75 -10.688 -5.707 -10.399 441 HH12 ARG 75 HH12 ARG 75 -10.332 -5.955 -12.078 442 HH21 ARG 75 HH21 ARG 75 -9.849 -2.565 -12.791 443 HH22 ARG 75 HH22 ARG 75 -9.859 -4.174 -13.437 444 H PHE 76 HN PHE 76 -10.238 -4.165 -4.137 445 HA PHE 76 HA PHE 76 -12.621 -3.817 -2.600 446 HB2 PHE 76 HB2 PHE 76 -11.646 -5.826 -1.288 447 HB3 PHE 76 HB1 PHE 76 -12.229 -6.044 -2.923 448 HD1 PHE 76 HD1 PHE 76 -9.136 -5.454 -0.979 449 HD2 PHE 76 HD2 PHE 76 -10.862 -7.080 -4.515 450 HE1 PHE 76 HE1 PHE 76 -6.958 -6.408 -1.597 451 HE2 PHE 76 HE2 PHE 76 -8.684 -8.042 -5.134 452 HZ PHE 76 HZ PHE 76 -6.805 -7.860 -3.683 453 H LEU 77 HN LEU 77 -9.206 -3.436 -1.909 454 HA LEU 77 HA LEU 77 -9.561 -3.248 0.881 455 HB2 LEU 77 HB2 LEU 77 -7.411 -3.720 0.706 456 HB3 LEU 77 HB1 LEU 77 -7.394 -3.275 -0.987 457 HG LEU 77 HG LEU 77 -7.328 -1.035 0.918 458 HD11 LEU 77 HD11 LEU 77 -5.021 -2.947 0.584 459 HD12 LEU 77 HD12 LEU 77 -5.883 -2.587 2.081 460 HD13 LEU 77 HD13 LEU 77 -4.905 -1.342 1.304 461 HD21 LEU 77 HD21 LEU 77 -7.170 -0.676 -1.480 462 HD22 LEU 77 HD22 LEU 77 -5.760 -1.732 -1.561 463 HD23 LEU 77 HD23 LEU 77 -5.669 -0.203 -0.685 464 H LYS 78 HN LYS 78 -9.334 -0.763 -1.643 465 HA LYS 78 HA LYS 78 -9.032 1.405 0.161 466 HB2 LYS 78 HB2 LYS 78 -8.397 1.589 -2.188 467 HB3 LYS 78 HB1 LYS 78 -10.076 1.392 -2.671 468 HG2 LYS 78 HG2 LYS 78 -10.660 3.491 -1.607 469 HG3 LYS 78 HG1 LYS 78 -9.003 3.681 -1.028 470 HD2 LYS 78 HD2 LYS 78 -9.374 5.041 -3.008 471 HD3 LYS 78 HD1 LYS 78 -8.213 3.759 -3.347 472 HE2 LYS 78 HE2 LYS 78 -9.752 3.968 -5.198 473 HE3 LYS 78 HE1 LYS 78 -10.022 2.433 -4.379 474 HZ1 LYS 78 HZ1 LYS 78 -11.901 3.483 -3.212 475 HZ2 LYS 78 HZ2 LYS 78 -12.112 3.459 -4.886 476 HZ3 LYS 78 HZ3 LYS 78 -11.663 4.895 -4.114 477 H ARG 79 HN ARG 79 -11.818 -0.295 -1.074 478 HA ARG 79 HA ARG 79 -13.714 1.734 -0.378 479 HB2 ARG 79 HB2 ARG 79 -15.408 0.234 -1.048 480 HB3 ARG 79 HB1 ARG 79 -14.059 -0.085 -2.127 481 HG2 ARG 79 HG2 ARG 79 -13.452 -2.038 -0.811 482 HG3 ARG 79 HG1 ARG 79 -14.781 -1.707 0.301 483 HD2 ARG 79 HD2 ARG 79 -15.379 -3.449 -1.301 484 HD3 ARG 79 HD1 ARG 79 -16.385 -2.018 -1.513 485 HE ARG 79 HE ARG 79 -14.716 -1.474 -3.372 486 HH11 ARG 79 HH11 ARG 79 -15.677 -4.719 -2.476 487 HH12 ARG 79 HH12 ARG 79 -15.379 -5.376 -4.056 488 HH21 ARG 79 HH21 ARG 79 -14.352 -2.327 -5.449 489 HH22 ARG 79 HH22 ARG 79 -14.637 -4.014 -5.748 490 H MET 80 HN MET 80 -11.976 -0.545 1.402 491 HA MET 80 HA MET 80 -13.930 -1.163 3.397 492 HB2 MET 80 HB2 MET 80 -10.917 -1.405 3.491 493 HB3 MET 80 HB1 MET 80 -12.026 -2.092 4.666 494 HG2 MET 80 HG2 MET 80 -13.006 -3.480 2.878 495 HG3 MET 80 HG1 MET 80 -11.813 -2.826 1.759 496 HE1 MET 80 HE1 MET 80 -11.054 -5.280 1.112 497 HE2 MET 80 HE2 MET 80 -12.255 -5.934 2.226 498 HE3 MET 80 HE3 MET 80 -10.588 -6.501 2.295 499 H GLY 81 HN GLY 81 -12.817 1.743 2.726 500 HA2 GLY 81 HA2 GLY 81 -13.413 3.534 4.244 501 HA3 GLY 81 HA1 GLY 81 -12.835 2.535 5.567 502 H GLY 82 HN GLY 82 -11.291 3.275 2.462 503 HA2 GLY 82 HA2 GLY 82 -8.734 3.536 3.554 504 HA3 GLY 82 HA1 GLY 82 -9.222 4.128 1.977 505 H CYS 83 HN CYS 83 -8.295 4.917 5.112 506 HA CYS 83 HA CYS 83 -7.851 6.840 6.209 507 HB2 CYS 83 HB2 CYS 83 -8.016 8.022 3.441 508 HB3 CYS 83 HB1 CYS 83 -7.313 8.820 4.843 509 HG CYS 83 HG CYS 83 -5.042 7.476 4.945 510 H VAL 84 HN VAL 84 -10.680 6.066 5.774 511 HA VAL 84 HA VAL 84 -11.773 8.660 6.590 512 HB VAL 84 HB VAL 84 -12.726 8.421 4.441 513 HG11 VAL 84 HG11 VAL 84 -13.423 5.580 5.153 514 HG12 VAL 84 HG12 VAL 84 -12.206 6.105 3.991 515 HG13 VAL 84 HG13 VAL 84 -13.914 6.412 3.678 516 HG21 VAL 84 HG21 VAL 84 -15.118 8.151 4.890 517 HG22 VAL 84 HG22 VAL 84 -14.322 9.093 6.151 518 HG23 VAL 84 HG23 VAL 84 -14.740 7.405 6.442 Start of MODEL 5 1 H1 MET 16 HT1 MET 16 -7.625 0.598 10.239 2 H2 MET 16 HT2 MET 16 -6.053 1.214 10.235 3 H3 MET 16 HT3 MET 16 -6.332 -0.390 10.692 4 HA MET 16 HA MET 16 -5.429 -0.352 8.497 5 HB2 MET 16 HB2 MET 16 -7.094 -1.651 7.350 6 HB3 MET 16 HB1 MET 16 -7.210 -2.021 9.064 7 HG2 MET 16 HG2 MET 16 -9.169 -0.664 9.289 8 HG3 MET 16 HG1 MET 16 -9.000 -0.066 7.642 9 HE1 MET 16 HE1 MET 16 -10.086 -4.425 8.695 10 HE2 MET 16 HE2 MET 16 -9.806 -3.170 9.900 11 HE3 MET 16 HE3 MET 16 -8.468 -3.760 8.915 12 H SER 17 HN SER 17 -7.857 2.035 9.063 13 HA SER 17 HA SER 17 -8.662 2.701 6.501 14 HB2 SER 17 HB2 SER 17 -9.653 3.602 8.593 15 HB3 SER 17 HB1 SER 17 -8.219 4.604 8.814 16 HG SER 17 HG SER 17 -10.102 4.722 6.689 17 H ASP 18 HN ASP 18 -5.895 3.944 8.339 18 HA ASP 18 HA ASP 18 -4.967 5.714 6.335 19 HB2 ASP 18 HB2 ASP 18 -3.453 4.367 8.580 20 HB3 ASP 18 HB1 ASP 18 -2.847 5.715 7.624 21 H TYR 19 HN TYR 19 -4.095 2.414 7.222 22 HA TYR 19 HA TYR 19 -1.989 2.017 5.442 23 HB2 TYR 19 HB2 TYR 19 -1.960 0.183 6.746 24 HB3 TYR 19 HB1 TYR 19 -3.644 0.398 7.192 25 HD1 TYR 19 HD1 TYR 19 -5.268 -1.064 6.407 26 HD2 TYR 19 HD2 TYR 19 -1.466 -1.002 4.499 27 HE1 TYR 19 HE1 TYR 19 -5.911 -3.019 5.071 28 HE2 TYR 19 HE2 TYR 19 -2.107 -2.951 3.160 29 HH TYR 19 HH TYR 19 -5.278 -4.021 2.891 30 H LEU 20 HN LEU 20 -5.460 1.772 4.923 31 HA LEU 20 HA LEU 20 -5.554 0.138 2.707 32 HB2 LEU 20 HB2 LEU 20 -7.295 2.534 3.262 33 HB3 LEU 20 HB1 LEU 20 -7.665 1.256 2.120 34 HG LEU 20 HG LEU 20 -7.421 0.915 5.112 35 HD11 LEU 20 HD11 LEU 20 -9.827 0.484 5.023 36 HD12 LEU 20 HD12 LEU 20 -9.828 0.887 3.305 37 HD13 LEU 20 HD13 LEU 20 -9.427 2.120 4.501 38 HD21 LEU 20 HD21 LEU 20 -6.709 -1.091 3.969 39 HD22 LEU 20 HD22 LEU 20 -8.153 -1.062 2.957 40 HD23 LEU 20 HD23 LEU 20 -8.296 -1.347 4.692 41 H LYS 21 HN LYS 21 -5.253 3.690 2.699 42 HA LYS 21 HA LYS 21 -5.038 3.673 -0.171 43 HB2 LYS 21 HB2 LYS 21 -4.854 5.922 1.817 44 HB3 LYS 21 HB1 LYS 21 -4.747 6.130 0.073 45 HG2 LYS 21 HG2 LYS 21 -7.011 4.946 -0.026 46 HG3 LYS 21 HG1 LYS 21 -7.095 5.245 1.713 47 HD2 LYS 21 HD2 LYS 21 -8.237 7.024 0.562 48 HD3 LYS 21 HD1 LYS 21 -6.743 7.664 1.250 49 HE2 LYS 21 HE2 LYS 21 -5.653 7.490 -0.925 50 HE3 LYS 21 HE1 LYS 21 -7.119 6.801 -1.618 51 HZ1 LYS 21 HZ1 LYS 21 -8.266 8.876 -1.121 52 HZ2 LYS 21 HZ2 LYS 21 -6.934 9.142 -2.125 53 HZ3 LYS 21 HZ3 LYS 21 -6.843 9.530 -0.482 54 H VAL 22 HN VAL 22 -2.835 3.267 2.351 55 HA VAL 22 HA VAL 22 -0.584 4.675 1.580 56 HB VAL 22 HB VAL 22 -0.910 1.992 2.904 57 HG11 VAL 22 HG11 VAL 22 1.178 1.869 1.590 58 HG12 VAL 22 HG12 VAL 22 1.470 1.861 3.327 59 HG13 VAL 22 HG13 VAL 22 1.747 3.334 2.394 60 HG21 VAL 22 HG21 VAL 22 0.082 3.234 4.810 61 HG22 VAL 22 HG22 VAL 22 -1.439 3.918 4.235 62 HG23 VAL 22 HG23 VAL 22 0.090 4.687 3.807 63 H LEU 23 HN LEU 23 -1.218 1.270 0.659 64 HA LEU 23 HA LEU 23 0.814 1.387 -1.325 65 HB2 LEU 23 HB2 LEU 23 -0.648 -0.844 -1.980 66 HB3 LEU 23 HB1 LEU 23 0.769 -0.785 -0.960 67 HG LEU 23 HG LEU 23 -0.745 -0.574 1.021 68 HD11 LEU 23 HD11 LEU 23 -2.874 -1.123 -1.041 69 HD12 LEU 23 HD12 LEU 23 -2.734 0.302 -0.010 70 HD13 LEU 23 HD13 LEU 23 -3.097 -1.268 0.701 71 HD21 LEU 23 HD21 LEU 23 0.216 -2.702 0.454 72 HD22 LEU 23 HD22 LEU 23 -1.036 -2.991 -0.754 73 HD23 LEU 23 HD23 LEU 23 -1.458 -2.944 0.956 74 H GLN 24 HN GLN 24 -2.744 1.576 -1.536 75 HA GLN 24 HA GLN 24 -2.645 1.209 -4.368 76 HB2 GLN 24 HB2 GLN 24 -5.047 1.542 -4.375 77 HB3 GLN 24 HB1 GLN 24 -4.558 0.379 -3.158 78 HG2 GLN 24 HG2 GLN 24 -6.170 1.627 -2.078 79 HG3 GLN 24 HG1 GLN 24 -4.671 2.372 -1.531 80 HE21 GLN 24 HE21 GLN 24 -5.973 2.886 -4.737 81 HE22 GLN 24 HE22 GLN 24 -6.414 4.537 -4.505 82 H ALA 25 HN ALA 25 -2.585 4.047 -2.344 83 HA ALA 25 HA ALA 25 -3.768 5.849 -4.129 84 HB1 ALA 25 HB1 ALA 25 -2.705 7.616 -2.876 85 HB2 ALA 25 HB2 ALA 25 -1.596 6.460 -2.137 86 HB3 ALA 25 HB3 ALA 25 -3.322 6.379 -1.780 87 H ILE 26 HN ILE 26 -0.318 5.081 -3.689 88 HA ILE 26 HA ILE 26 0.780 6.873 -5.433 89 HB ILE 26 HB ILE 26 2.180 5.561 -4.032 90 HG12 ILE 26 HG12 ILE 26 2.952 6.251 -6.458 91 HG13 ILE 26 HG11 ILE 26 4.004 5.327 -5.397 92 HG21 ILE 26 HG21 ILE 26 1.428 3.126 -5.619 93 HG22 ILE 26 HG22 ILE 26 0.849 3.520 -4.000 94 HG23 ILE 26 HG23 ILE 26 2.560 3.192 -4.265 95 HD11 ILE 26 HD11 ILE 26 3.388 3.277 -6.558 96 HD12 ILE 26 HD12 ILE 26 4.030 4.476 -7.680 97 HD13 ILE 26 HD13 ILE 26 2.293 4.185 -7.599 98 H LYS 27 HN LYS 27 -0.696 3.750 -6.339 99 HA LYS 27 HA LYS 27 0.211 3.958 -9.044 100 HB2 LYS 27 HB2 LYS 27 -1.080 1.970 -9.443 101 HB3 LYS 27 HB1 LYS 27 -0.209 1.792 -7.938 102 HG2 LYS 27 HG2 LYS 27 -2.233 2.282 -6.691 103 HG3 LYS 27 HG1 LYS 27 -3.118 2.508 -8.199 104 HD2 LYS 27 HD2 LYS 27 -1.678 -0.057 -7.758 105 HD3 LYS 27 HD1 LYS 27 -3.185 0.220 -6.889 106 HE2 LYS 27 HE2 LYS 27 -3.681 -0.959 -8.909 107 HE3 LYS 27 HE1 LYS 27 -4.289 0.686 -9.061 108 HZ1 LYS 27 HZ1 LYS 27 -3.156 -0.140 -11.066 109 HZ2 LYS 27 HZ2 LYS 27 -1.713 -0.264 -10.195 110 HZ3 LYS 27 HZ3 LYS 27 -2.427 1.249 -10.439 111 H SER 28 HN SER 28 -2.651 4.915 -7.300 112 HA SER 28 HA SER 28 -4.141 5.323 -9.776 113 HB2 SER 28 HB2 SER 28 -5.045 5.528 -6.897 114 HB3 SER 28 HB1 SER 28 -6.089 5.606 -8.315 115 HG SER 28 HG SER 28 -5.057 3.445 -8.798 116 H CYS 29 HN CYS 29 -2.898 7.213 -7.039 117 HA CYS 29 HA CYS 29 -3.468 9.677 -8.502 118 HB2 CYS 29 HB2 CYS 29 -5.471 9.195 -7.110 119 HB3 CYS 29 HB1 CYS 29 -4.449 9.191 -5.678 120 HG CYS 29 HG CYS 29 -5.354 11.838 -7.625 121 HA PRO 30 HA PRO 30 0.553 10.627 -6.884 122 HB2 PRO 30 HB2 PRO 30 0.526 13.324 -7.302 123 HB3 PRO 30 HB1 PRO 30 0.797 12.135 -8.581 124 HG2 PRO 30 HG2 PRO 30 -1.713 13.585 -7.842 125 HG3 PRO 30 HG1 PRO 30 -1.047 13.253 -9.450 126 HD2 PRO 30 HD2 PRO 30 -3.058 11.796 -8.408 127 HD3 PRO 30 HD1 PRO 30 -1.822 11.073 -9.459 128 H LYS 31 HN LYS 31 -2.319 11.503 -5.386 129 HA LYS 31 HA LYS 31 -0.967 12.859 -3.166 130 HB2 LYS 31 HB2 LYS 31 -3.901 12.218 -3.557 131 HB3 LYS 31 HB1 LYS 31 -3.227 13.145 -2.225 132 HG2 LYS 31 HG2 LYS 31 -2.383 14.781 -3.942 133 HG3 LYS 31 HG1 LYS 31 -3.356 13.908 -5.126 134 HD2 LYS 31 HD2 LYS 31 -4.417 15.179 -2.604 135 HD3 LYS 31 HD1 LYS 31 -4.505 15.896 -4.210 136 HE2 LYS 31 HE2 LYS 31 -5.728 13.250 -3.440 137 HE3 LYS 31 HE1 LYS 31 -6.603 14.779 -3.500 138 HZ1 LYS 31 HZ1 LYS 31 -6.045 14.931 -5.863 139 HZ2 LYS 31 HZ2 LYS 31 -6.946 13.544 -5.519 140 HZ3 LYS 31 HZ3 LYS 31 -5.280 13.425 -5.788 141 H THR 32 HN THR 32 -0.291 11.733 -1.448 142 HA THR 32 HA THR 32 0.212 9.972 -0.097 143 HB THR 32 HB THR 32 -2.362 8.683 -1.039 144 HG1 THR 32 HG1 THR 32 -1.815 10.689 0.867 145 HG21 THR 32 HG21 THR 32 -0.816 7.161 0.120 146 HG22 THR 32 HG22 THR 32 -2.255 7.482 1.090 147 HG23 THR 32 HG23 THR 32 -0.732 8.285 1.476 148 H PHE 33 HN PHE 33 1.389 8.037 -0.297 149 HA PHE 33 HA PHE 33 1.453 6.743 -2.859 150 HB2 PHE 33 HB2 PHE 33 3.691 7.395 -3.462 151 HB3 PHE 33 HB1 PHE 33 2.743 8.856 -3.212 152 HD1 PHE 33 HD1 PHE 33 5.871 7.612 -2.767 153 HD2 PHE 33 HD2 PHE 33 2.791 9.501 -0.521 154 HE1 PHE 33 HE1 PHE 33 7.546 8.419 -1.155 155 HE2 PHE 33 HE2 PHE 33 4.461 10.317 1.088 156 HZ PHE 33 HZ PHE 33 6.876 9.799 0.725 157 H GLN 34 HN GLN 34 3.277 5.143 -2.918 158 HA GLN 34 HA GLN 34 3.668 4.023 -0.238 159 HB2 GLN 34 HB2 GLN 34 2.686 2.128 -0.917 160 HB3 GLN 34 HB1 GLN 34 2.163 3.006 -2.330 161 HG2 GLN 34 HG2 GLN 34 4.202 2.283 -3.494 162 HG3 GLN 34 HG1 GLN 34 4.635 1.325 -2.080 163 HE21 GLN 34 HE21 GLN 34 3.273 -0.428 -1.490 164 HE22 GLN 34 HE22 GLN 34 2.287 -1.211 -2.671 165 H SER 35 HN SER 35 5.110 5.170 -3.051 166 HA SER 35 HA SER 35 7.078 3.558 -3.878 167 HB2 SER 35 HB2 SER 35 7.525 6.499 -3.394 168 HB3 SER 35 HB1 SER 35 8.236 5.494 -4.660 169 HG SER 35 HG SER 35 6.391 6.814 -5.310 170 H ASN 36 HN ASN 36 8.118 6.164 -1.662 171 HA ASN 36 HA ASN 36 9.977 4.220 -0.483 172 HB2 ASN 36 HB2 ASN 36 11.283 6.145 0.309 173 HB3 ASN 36 HB1 ASN 36 11.069 6.194 -1.434 174 HD21 ASN 36 HD21 ASN 36 11.349 8.344 -1.685 175 HD22 ASN 36 HD22 ASN 36 10.259 9.539 -1.068 176 H TYR 37 HN TYR 37 7.037 5.320 0.006 177 HA TYR 37 HA TYR 37 7.039 6.088 2.748 178 HB2 TYR 37 HB2 TYR 37 5.271 6.695 1.084 179 HB3 TYR 37 HB1 TYR 37 4.767 5.011 1.068 180 HD1 TYR 37 HD1 TYR 37 3.637 4.032 3.008 181 HD2 TYR 37 HD2 TYR 37 4.722 8.142 2.933 182 HE1 TYR 37 HE1 TYR 37 2.140 4.456 4.911 183 HE2 TYR 37 HE2 TYR 37 3.228 8.578 4.836 184 HH TYR 37 HH TYR 37 1.953 6.157 6.762 185 H VAL 38 HN VAL 38 6.620 3.094 0.966 186 HA VAL 38 HA VAL 38 5.813 1.400 3.041 187 HB VAL 38 HB VAL 38 7.491 0.832 0.593 188 HG11 VAL 38 HG11 VAL 38 6.308 -1.120 2.564 189 HG12 VAL 38 HG12 VAL 38 8.017 -0.869 2.214 190 HG13 VAL 38 HG13 VAL 38 6.957 -1.553 0.985 191 HG21 VAL 38 HG21 VAL 38 5.397 -0.208 -0.220 192 HG22 VAL 38 HG22 VAL 38 5.246 1.524 0.076 193 HG23 VAL 38 HG23 VAL 38 4.582 0.372 1.232 194 H ARG 39 HN ARG 39 8.949 2.688 2.200 195 HA ARG 39 HA ARG 39 10.537 0.924 3.696 196 HB2 ARG 39 HB2 ARG 39 10.995 3.788 2.879 197 HB3 ARG 39 HB1 ARG 39 12.222 2.775 3.630 198 HG2 ARG 39 HG2 ARG 39 10.825 2.139 1.045 199 HG3 ARG 39 HG1 ARG 39 12.417 2.892 1.171 200 HD2 ARG 39 HD2 ARG 39 11.617 0.146 2.138 201 HD3 ARG 39 HD1 ARG 39 12.671 0.524 0.776 202 HE ARG 39 HE ARG 39 13.671 1.678 3.166 203 HH11 ARG 39 HH11 ARG 39 13.422 -1.348 1.442 204 HH12 ARG 39 HH12 ARG 39 14.809 -2.050 2.216 205 HH21 ARG 39 HH21 ARG 39 15.480 0.772 4.198 206 HH22 ARG 39 HH22 ARG 39 15.982 -0.839 3.793 207 H ASN 40 HN ASN 40 8.823 3.864 4.556 208 HA ASN 40 HA ASN 40 9.900 3.874 7.244 209 HB2 ASN 40 HB2 ASN 40 7.755 5.576 5.958 210 HB3 ASN 40 HB1 ASN 40 8.383 5.812 7.584 211 HD21 ASN 40 HD21 ASN 40 10.467 6.603 7.857 212 HD22 ASN 40 HD22 ASN 40 11.331 7.374 6.575 213 H ASN 41 HN ASN 41 6.821 3.143 5.649 214 HA ASN 41 HA ASN 41 5.786 2.225 8.253 215 HB2 ASN 41 HB2 ASN 41 4.279 3.352 5.885 216 HB3 ASN 41 HB1 ASN 41 3.509 2.619 7.288 217 HD21 ASN 41 HD21 ASN 41 5.282 5.356 6.099 218 HD22 ASN 41 HD22 ASN 41 4.992 6.380 7.460 219 H ALA 42 HN ALA 42 7.305 0.422 7.026 220 HA ALA 42 HA ALA 42 6.026 -1.265 5.169 221 HB1 ALA 42 HB1 ALA 42 8.104 -2.023 7.222 222 HB2 ALA 42 HB2 ALA 42 8.444 -1.330 5.637 223 HB3 ALA 42 HB3 ALA 42 7.694 -2.922 5.762 224 H SER 43 HN SER 43 5.774 -0.965 8.625 225 HA SER 43 HA SER 43 4.558 -3.440 9.180 226 HB2 SER 43 HB2 SER 43 3.674 -2.149 11.211 227 HB3 SER 43 HB1 SER 43 5.425 -2.251 11.017 228 HG SER 43 HG SER 43 4.495 -0.104 11.491 229 H LEU 44 HN LEU 44 3.242 -0.311 8.190 230 HA LEU 44 HA LEU 44 0.511 -1.027 8.430 231 HB2 LEU 44 HB2 LEU 44 1.826 1.005 6.622 232 HB3 LEU 44 HB1 LEU 44 0.097 0.852 6.848 233 HG LEU 44 HG LEU 44 2.126 1.712 8.908 234 HD11 LEU 44 HD11 LEU 44 1.496 3.423 7.282 235 HD12 LEU 44 HD12 LEU 44 0.861 3.799 8.885 236 HD13 LEU 44 HD13 LEU 44 -0.209 3.145 7.644 237 HD21 LEU 44 HD21 LEU 44 0.466 0.312 9.993 238 HD22 LEU 44 HD22 LEU 44 -0.833 1.228 9.228 239 HD23 LEU 44 HD23 LEU 44 0.209 2.004 10.419 240 H VAL 45 HN VAL 45 2.832 -1.170 5.785 241 HA VAL 45 HA VAL 45 1.090 -2.059 3.770 242 HB VAL 45 HB VAL 45 4.022 -2.735 4.021 243 HG11 VAL 45 HG11 VAL 45 2.854 -3.983 2.280 244 HG12 VAL 45 HG12 VAL 45 3.978 -2.818 1.582 245 HG13 VAL 45 HG13 VAL 45 2.248 -2.473 1.599 246 HG21 VAL 45 HG21 VAL 45 3.654 -0.332 4.307 247 HG22 VAL 45 HG22 VAL 45 2.757 -0.295 2.789 248 HG23 VAL 45 HG23 VAL 45 4.473 -0.696 2.791 249 H ALA 46 HN ALA 46 2.780 -3.745 6.331 250 HA ALA 46 HA ALA 46 2.589 -6.370 5.370 251 HB1 ALA 46 HB1 ALA 46 2.932 -7.051 7.708 252 HB2 ALA 46 HB2 ALA 46 2.660 -5.383 8.220 253 HB3 ALA 46 HB3 ALA 46 4.048 -5.782 7.208 254 H GLU 47 HN GLU 47 0.213 -4.325 6.875 255 HA GLU 47 HA GLU 47 -1.683 -6.239 7.650 256 HB2 GLU 47 HB2 GLU 47 -1.917 -3.381 6.752 257 HB3 GLU 47 HB1 GLU 47 -3.342 -4.329 7.153 258 HG2 GLU 47 HG2 GLU 47 -1.034 -3.947 9.038 259 HG3 GLU 47 HG1 GLU 47 -2.440 -2.883 8.991 260 H ALA 48 HN ALA 48 -0.773 -5.030 4.545 261 HA ALA 48 HA ALA 48 -3.059 -5.592 3.037 262 HB1 ALA 48 HB1 ALA 48 -1.088 -4.270 2.304 263 HB2 ALA 48 HB2 ALA 48 -1.639 -5.461 1.123 264 HB3 ALA 48 HB3 ALA 48 -0.211 -5.785 2.107 265 H ALA 49 HN ALA 49 -0.588 -7.704 4.282 266 HA ALA 49 HA ALA 49 -1.019 -9.891 2.554 267 HB1 ALA 49 HB1 ALA 49 0.960 -9.717 3.978 268 HB2 ALA 49 HB2 ALA 49 0.106 -11.233 4.260 269 HB3 ALA 49 HB3 ALA 49 -0.048 -9.907 5.412 270 H SER 50 HN SER 50 -2.645 -8.727 5.408 271 HA SER 50 HA SER 50 -4.263 -11.049 5.818 272 HB2 SER 50 HB2 SER 50 -4.764 -8.217 6.764 273 HB3 SER 50 HB1 SER 50 -5.441 -9.699 7.443 274 HG SER 50 HG SER 50 -2.866 -10.066 7.466 275 H ARG 51 HN ARG 51 -4.598 -8.022 4.029 276 HA ARG 51 HA ARG 51 -7.285 -8.539 3.202 277 HB2 ARG 51 HB2 ARG 51 -5.162 -6.591 2.465 278 HB3 ARG 51 HB1 ARG 51 -6.438 -6.870 1.294 279 HG2 ARG 51 HG2 ARG 51 -6.969 -4.954 2.655 280 HG3 ARG 51 HG1 ARG 51 -8.111 -6.253 2.985 281 HD2 ARG 51 HD2 ARG 51 -5.683 -5.921 4.703 282 HD3 ARG 51 HD1 ARG 51 -7.085 -4.882 4.949 283 HE ARG 51 HE ARG 51 -7.911 -7.574 4.863 284 HH11 ARG 51 HH11 ARG 51 -6.149 -5.372 6.948 285 HH12 ARG 51 HH12 ARG 51 -6.617 -6.184 8.407 286 HH21 ARG 51 HH21 ARG 51 -8.509 -8.647 6.779 287 HH22 ARG 51 HH22 ARG 51 -7.947 -8.047 8.312 288 H GLY 52 HN GLY 52 -4.107 -9.388 2.063 289 HA2 GLY 52 HA2 GLY 52 -3.844 -11.520 1.023 290 HA3 GLY 52 HA1 GLY 52 -5.425 -11.322 0.291 291 H HIS 53 HN HIS 53 -2.971 -8.765 0.239 292 HA HIS 53 HA HIS 53 -2.052 -9.597 -2.369 293 HB2 HIS 53 HB2 HIS 53 -2.908 -7.855 -3.671 294 HB3 HIS 53 HB1 HIS 53 -4.271 -8.313 -2.661 295 HD1 HIS 53 HD1 HIS 53 -5.012 -6.619 -0.835 296 HD2 HIS 53 HD2 HIS 53 -1.882 -5.309 -3.242 297 HE1 HIS 53 HE1 HIS 53 -4.801 -4.157 -0.376 298 HE2 HIS 53 HE2 HIS 53 -2.792 -3.423 -1.710 299 H ILE 54 HN ILE 54 0.013 -9.088 -2.573 300 HA ILE 54 HA ILE 54 0.959 -6.453 -2.065 301 HB ILE 54 HB ILE 54 3.038 -7.538 -0.795 302 HG12 ILE 54 HG12 ILE 54 0.673 -9.069 0.297 303 HG13 ILE 54 HG11 ILE 54 2.020 -9.760 -0.602 304 HG21 ILE 54 HG21 ILE 54 1.958 -5.543 -0.077 305 HG22 ILE 54 HG22 ILE 54 2.102 -6.626 1.308 306 HG23 ILE 54 HG23 ILE 54 0.552 -6.446 0.484 307 HD11 ILE 54 HD11 ILE 54 2.155 -8.435 2.093 308 HD12 ILE 54 HD12 ILE 54 3.546 -9.027 1.184 309 HD13 ILE 54 HD13 ILE 54 2.314 -10.158 1.750 310 H SER 55 HN SER 55 3.211 -6.214 -2.781 311 HA SER 55 HA SER 55 4.144 -8.275 -4.582 312 HB2 SER 55 HB2 SER 55 4.055 -6.021 -6.234 313 HB3 SER 55 HB1 SER 55 2.991 -7.425 -6.318 314 HG SER 55 HG SER 55 2.537 -5.120 -4.739 315 H CYS 56 HN CYS 56 6.291 -8.332 -4.302 316 HA CYS 56 HA CYS 56 7.582 -6.031 -3.067 317 HB2 CYS 56 HB2 CYS 56 9.497 -7.687 -2.808 318 HB3 CYS 56 HB1 CYS 56 8.018 -8.051 -1.928 319 HG CYS 56 HG CYS 56 8.707 -10.499 -2.732 320 H ALA 57 HN ALA 57 9.049 -4.757 -4.006 321 HA ALA 57 HA ALA 57 9.732 -5.251 -6.801 322 HB1 ALA 57 HB1 ALA 57 10.563 -2.949 -6.804 323 HB2 ALA 57 HB2 ALA 57 10.238 -2.827 -5.076 324 HB3 ALA 57 HB3 ALA 57 8.904 -3.032 -6.212 325 H THR 58 HN THR 58 11.539 -4.168 -3.896 326 HA THR 58 HA THR 58 13.574 -6.140 -4.529 327 HB THR 58 HB THR 58 14.712 -3.546 -3.705 328 HG1 THR 58 HG1 THR 58 13.444 -4.008 -6.188 329 HG21 THR 58 HG21 THR 58 16.516 -4.261 -5.169 330 HG22 THR 58 HG22 THR 58 15.546 -5.625 -5.721 331 HG23 THR 58 HG23 THR 58 16.085 -5.549 -4.043 332 H THR 59 HN THR 59 12.245 -3.851 -2.321 333 HA THR 59 HA THR 59 12.112 -3.654 -0.087 334 HB THR 59 HB THR 59 12.505 -6.605 0.230 335 HG1 THR 59 HG1 THR 59 10.367 -6.885 -0.561 336 HG21 THR 59 HG21 THR 59 10.534 -4.602 1.362 337 HG22 THR 59 HG22 THR 59 11.956 -5.236 2.193 338 HG23 THR 59 HG23 THR 59 10.620 -6.313 1.787 339 H SER 60 HN SER 60 14.905 -3.823 -1.351 340 HA SER 60 HA SER 60 16.468 -4.683 0.948 341 HB2 SER 60 HB2 SER 60 18.405 -4.131 -0.640 342 HB3 SER 60 HB1 SER 60 17.372 -5.492 -1.077 343 HG SER 60 HG SER 60 17.701 -4.166 -2.874 344 H GLY 61 HN GLY 61 16.877 -1.927 -1.242 345 HA2 GLY 61 HA2 GLY 61 17.298 -0.216 1.130 346 HA3 GLY 61 HA1 GLY 61 17.987 0.089 -0.462 347 H ARG 62 HN ARG 62 16.911 2.274 0.114 348 HA ARG 62 HA ARG 62 14.035 2.264 -0.262 349 HB2 ARG 62 HB2 ARG 62 14.197 4.723 -0.035 350 HB3 ARG 62 HB1 ARG 62 14.897 3.859 1.323 351 HG2 ARG 62 HG2 ARG 62 17.117 4.301 0.541 352 HG3 ARG 62 HG1 ARG 62 16.494 4.999 -0.956 353 HD2 ARG 62 HD2 ARG 62 15.953 6.089 1.800 354 HD3 ARG 62 HD1 ARG 62 17.203 6.694 0.715 355 HE ARG 62 HE ARG 62 15.151 7.016 -0.855 356 HH11 ARG 62 HH11 ARG 62 15.210 7.510 2.607 357 HH12 ARG 62 HH12 ARG 62 14.033 8.783 2.577 358 HH21 ARG 62 HH21 ARG 62 13.604 8.696 -0.907 359 HH22 ARG 62 HH22 ARG 62 13.119 9.458 0.574 360 H ASN 63 HN ASN 63 16.738 2.264 -2.222 361 HA ASN 63 HA ASN 63 15.582 3.790 -4.392 362 HB2 ASN 63 HB2 ASN 63 18.060 3.683 -3.946 363 HB3 ASN 63 HB1 ASN 63 18.020 1.997 -4.450 364 HD21 ASN 63 HD21 ASN 63 17.744 1.498 -6.619 365 HD22 ASN 63 HD22 ASN 63 17.892 2.689 -7.870 366 H GLY 64 HN GLY 64 13.611 2.410 -4.290 367 HA2 GLY 64 HA2 GLY 64 12.382 1.130 -5.845 368 HA3 GLY 64 HA1 GLY 64 13.867 0.333 -6.332 369 H GLY 65 HN GLY 65 14.489 -0.057 -3.368 370 HA2 GLY 65 HA2 GLY 65 13.275 -2.669 -3.233 371 HA3 GLY 65 HA1 GLY 65 14.416 -1.988 -2.078 372 H ALA 66 HN ALA 66 11.143 -1.503 -3.234 373 HA ALA 66 HA ALA 66 10.178 -1.373 -0.465 374 HB1 ALA 66 HB1 ALA 66 9.345 0.431 -2.739 375 HB2 ALA 66 HB2 ALA 66 10.285 0.907 -1.326 376 HB3 ALA 66 HB3 ALA 66 8.609 0.395 -1.138 377 H TRP 67 HN TRP 67 7.653 -1.547 -0.586 378 HA TRP 67 HA TRP 67 7.047 -3.806 -2.336 379 HB2 TRP 67 HB2 TRP 67 5.577 -2.611 0.024 380 HB3 TRP 67 HB1 TRP 67 4.902 -3.883 -0.982 381 HD1 TRP 67 HD1 TRP 67 7.804 -3.301 1.506 382 HE1 TRP 67 HE1 TRP 67 8.432 -5.572 2.546 383 HE3 TRP 67 HE3 TRP 67 4.792 -6.348 -1.296 384 HZ2 TRP 67 HZ2 TRP 67 7.740 -8.281 2.223 385 HZ3 TRP 67 HZ3 TRP 67 4.844 -8.765 -0.867 386 HH2 TRP 67 HH2 TRP 67 6.286 -9.713 0.854 387 H GLU 68 HN GLU 68 5.577 -3.697 -3.908 388 HA GLU 68 HA GLU 68 4.248 -1.121 -4.403 389 HB2 GLU 68 HB2 GLU 68 4.260 -1.644 -6.753 390 HB3 GLU 68 HB1 GLU 68 5.897 -1.852 -6.149 391 HG2 GLU 68 HG2 GLU 68 5.503 -4.281 -6.022 392 HG3 GLU 68 HG1 GLU 68 3.905 -4.027 -6.723 393 H ILE 69 HN ILE 69 2.128 -1.575 -5.737 394 HA ILE 69 HA ILE 69 0.740 -3.707 -4.252 395 HB ILE 69 HB ILE 69 0.046 -1.486 -3.601 396 HG12 ILE 69 HG12 ILE 69 -2.002 -3.008 -5.220 397 HG13 ILE 69 HG11 ILE 69 -1.644 -3.209 -3.510 398 HG21 ILE 69 HG21 ILE 69 -1.123 -0.016 -5.223 399 HG22 ILE 69 HG22 ILE 69 -0.618 -1.114 -6.507 400 HG23 ILE 69 HG23 ILE 69 0.592 -0.241 -5.571 401 HD11 ILE 69 HD11 ILE 69 -2.488 -0.926 -3.115 402 HD12 ILE 69 HD12 ILE 69 -3.702 -2.030 -3.758 403 HD13 ILE 69 HD13 ILE 69 -2.945 -0.840 -4.816 404 H THR 70 HN THR 70 -0.786 -4.959 -5.273 405 HA THR 70 HA THR 70 -0.560 -5.250 -8.130 406 HB THR 70 HB THR 70 -2.198 -7.136 -7.728 407 HG1 THR 70 HG1 THR 70 -2.729 -7.641 -5.628 408 HG21 THR 70 HG21 THR 70 -0.569 -8.585 -6.622 409 HG22 THR 70 HG22 THR 70 0.313 -7.170 -6.046 410 HG23 THR 70 HG23 THR 70 0.230 -7.515 -7.775 411 H ALA 71 HN ALA 71 -2.487 -5.327 -9.503 412 HA ALA 71 HA ALA 71 -3.951 -2.932 -9.314 413 HB1 ALA 71 HB1 ALA 71 -5.133 -3.702 -11.297 414 HB2 ALA 71 HB2 ALA 71 -4.492 -5.327 -11.060 415 HB3 ALA 71 HB3 ALA 71 -3.401 -3.995 -11.442 416 H SER 72 HN SER 72 -4.654 -6.172 -8.270 417 HA SER 72 HA SER 72 -7.466 -5.882 -8.040 418 HB2 SER 72 HB2 SER 72 -7.194 -7.894 -6.490 419 HB3 SER 72 HB1 SER 72 -6.627 -8.098 -8.144 420 HG SER 72 HG SER 72 -4.919 -8.786 -7.049 421 H GLY 73 HN GLY 73 -4.781 -5.039 -5.979 422 HA2 GLY 73 HA2 GLY 73 -6.062 -5.194 -3.488 423 HA3 GLY 73 HA1 GLY 73 -4.647 -4.215 -3.853 424 H THR 74 HN THR 74 -5.872 -2.620 -5.849 425 HA THR 74 HA THR 74 -6.622 -0.472 -4.261 426 HB THR 74 HB THR 74 -7.145 -0.860 -7.210 427 HG1 THR 74 HG1 THR 74 -4.971 0.609 -6.535 428 HG21 THR 74 HG21 THR 74 -8.305 1.096 -6.378 429 HG22 THR 74 HG22 THR 74 -6.885 1.609 -7.297 430 HG23 THR 74 HG23 THR 74 -6.854 1.635 -5.534 431 H ARG 75 HN ARG 75 -8.693 -2.841 -5.928 432 HA ARG 75 HA ARG 75 -10.973 -1.124 -5.712 433 HB2 ARG 75 HB2 ARG 75 -12.260 -3.119 -6.540 434 HB3 ARG 75 HB1 ARG 75 -10.989 -2.527 -7.593 435 HG2 ARG 75 HG2 ARG 75 -9.525 -4.345 -6.774 436 HG3 ARG 75 HG1 ARG 75 -10.889 -4.967 -5.839 437 HD2 ARG 75 HD2 ARG 75 -12.165 -5.342 -7.830 438 HD3 ARG 75 HD1 ARG 75 -10.959 -4.528 -8.816 439 HE ARG 75 HE ARG 75 -10.478 -7.095 -7.441 440 HH11 ARG 75 HH11 ARG 75 -10.041 -4.942 -10.172 441 HH12 ARG 75 HH12 ARG 75 -9.182 -6.112 -11.120 442 HH21 ARG 75 HH21 ARG 75 -9.343 -8.638 -8.688 443 HH22 ARG 75 HH22 ARG 75 -8.785 -8.210 -10.276 444 H PHE 76 HN PHE 76 -10.185 -4.238 -4.076 445 HA PHE 76 HA PHE 76 -12.545 -3.999 -2.482 446 HB2 PHE 76 HB2 PHE 76 -11.473 -5.932 -1.164 447 HB3 PHE 76 HB1 PHE 76 -12.028 -6.207 -2.799 448 HD1 PHE 76 HD1 PHE 76 -8.956 -5.511 -0.817 449 HD2 PHE 76 HD2 PHE 76 -10.634 -7.145 -4.368 450 HE1 PHE 76 HE1 PHE 76 -6.775 -6.495 -1.394 451 HE2 PHE 76 HE2 PHE 76 -8.459 -8.125 -4.950 452 HZ PHE 76 HZ PHE 76 -6.525 -7.803 -3.472 453 H LEU 77 HN LEU 77 -9.130 -3.449 -1.834 454 HA LEU 77 HA LEU 77 -9.505 -3.196 0.958 455 HB2 LEU 77 HB2 LEU 77 -7.325 -3.557 0.875 456 HB3 LEU 77 HB1 LEU 77 -7.314 -3.265 -0.855 457 HG LEU 77 HG LEU 77 -7.366 -0.833 0.784 458 HD11 LEU 77 HD11 LEU 77 -5.937 -2.166 2.202 459 HD12 LEU 77 HD12 LEU 77 -4.960 -0.997 1.315 460 HD13 LEU 77 HD13 LEU 77 -4.989 -2.682 0.810 461 HD21 LEU 77 HD21 LEU 77 -5.626 -0.168 -0.827 462 HD22 LEU 77 HD22 LEU 77 -7.099 -0.733 -1.614 463 HD23 LEU 77 HD23 LEU 77 -5.686 -1.785 -1.528 464 H LYS 78 HN LYS 78 -9.295 -0.759 -1.632 465 HA LYS 78 HA LYS 78 -9.029 1.437 0.152 466 HB2 LYS 78 HB2 LYS 78 -8.315 1.604 -2.170 467 HB3 LYS 78 HB1 LYS 78 -9.975 1.393 -2.712 468 HG2 LYS 78 HG2 LYS 78 -10.601 3.492 -1.628 469 HG3 LYS 78 HG1 LYS 78 -8.938 3.703 -1.077 470 HD2 LYS 78 HD2 LYS 78 -9.322 5.044 -3.049 471 HD3 LYS 78 HD1 LYS 78 -8.191 3.743 -3.421 472 HE2 LYS 78 HE2 LYS 78 -9.777 3.976 -5.228 473 HE3 LYS 78 HE1 LYS 78 -10.056 2.448 -4.398 474 HZ1 LYS 78 HZ1 LYS 78 -11.905 3.461 -3.223 475 HZ2 LYS 78 HZ2 LYS 78 -12.125 3.594 -4.890 476 HZ3 LYS 78 HZ3 LYS 78 -11.626 4.938 -3.996 477 H ARG 79 HN ARG 79 -11.788 -0.192 -1.241 478 HA ARG 79 HA ARG 79 -13.682 1.859 -0.730 479 HB2 ARG 79 HB2 ARG 79 -15.369 0.248 -1.290 480 HB3 ARG 79 HB1 ARG 79 -14.013 0.023 -2.385 481 HG2 ARG 79 HG2 ARG 79 -13.250 -1.871 -1.057 482 HG3 ARG 79 HG1 ARG 79 -14.602 -1.638 0.050 483 HD2 ARG 79 HD2 ARG 79 -14.872 -2.228 -2.897 484 HD3 ARG 79 HD1 ARG 79 -14.980 -3.437 -1.619 485 HE ARG 79 HE ARG 79 -16.819 -1.435 -1.022 486 HH11 ARG 79 HH11 ARG 79 -16.283 -3.798 -3.545 487 HH12 ARG 79 HH12 ARG 79 -17.969 -3.998 -3.898 488 HH21 ARG 79 HH21 ARG 79 -19.042 -1.697 -1.471 489 HH22 ARG 79 HH22 ARG 79 -19.539 -2.803 -2.713 490 H MET 80 HN MET 80 -12.104 -0.335 1.306 491 HA MET 80 HA MET 80 -14.201 -0.700 3.220 492 HB2 MET 80 HB2 MET 80 -11.221 -1.120 3.498 493 HB3 MET 80 HB1 MET 80 -12.436 -1.663 4.646 494 HG2 MET 80 HG2 MET 80 -12.133 -2.583 1.798 495 HG3 MET 80 HG1 MET 80 -11.699 -3.490 3.245 496 HE1 MET 80 HE1 MET 80 -15.197 -4.190 4.856 497 HE2 MET 80 HE2 MET 80 -14.161 -2.804 5.195 498 HE3 MET 80 HE3 MET 80 -13.452 -4.407 4.997 499 H GLY 81 HN GLY 81 -12.806 2.055 2.394 500 HA2 GLY 81 HA2 GLY 81 -13.420 3.995 3.734 501 HA3 GLY 81 HA1 GLY 81 -12.977 3.075 5.161 502 H GLY 82 HN GLY 82 -11.188 3.500 2.121 503 HA2 GLY 82 HA2 GLY 82 -8.692 3.761 3.296 504 HA3 GLY 82 HA1 GLY 82 -9.103 4.350 1.697 505 H CYS 83 HN CYS 83 -8.065 5.163 4.743 506 HA CYS 83 HA CYS 83 -7.653 7.073 5.874 507 HB2 CYS 83 HB2 CYS 83 -7.861 8.245 3.104 508 HB3 CYS 83 HB1 CYS 83 -7.255 9.121 4.506 509 HG CYS 83 HG CYS 83 -5.444 6.575 4.664 510 H VAL 84 HN VAL 84 -10.508 6.276 5.371 511 HA VAL 84 HA VAL 84 -11.883 8.835 5.522 512 HB VAL 84 HB VAL 84 -13.025 6.036 5.662 513 HG11 VAL 84 HG11 VAL 84 -15.177 7.132 5.216 514 HG12 VAL 84 HG12 VAL 84 -14.387 8.706 5.316 515 HG13 VAL 84 HG13 VAL 84 -14.469 7.668 6.740 516 HG21 VAL 84 HG21 VAL 84 -13.743 6.428 3.353 517 HG22 VAL 84 HG22 VAL 84 -11.986 6.474 3.505 518 HG23 VAL 84 HG23 VAL 84 -12.898 7.975 3.356 Start of MODEL 6 1 H1 MET 16 HT1 MET 16 -5.748 -0.399 10.927 2 H2 MET 16 HT2 MET 16 -6.981 0.715 10.624 3 H3 MET 16 HT3 MET 16 -5.374 1.132 10.319 4 HA MET 16 HA MET 16 -5.240 -0.581 8.610 5 HB2 MET 16 HB2 MET 16 -8.160 -0.894 9.306 6 HB3 MET 16 HB1 MET 16 -7.474 -1.459 7.791 7 HG2 MET 16 HG2 MET 16 -5.994 -2.957 8.989 8 HG3 MET 16 HG1 MET 16 -6.605 -2.354 10.528 9 HE1 MET 16 HE1 MET 16 -7.609 -4.157 7.177 10 HE2 MET 16 HE2 MET 16 -8.861 -2.927 7.357 11 HE3 MET 16 HE3 MET 16 -9.270 -4.634 7.525 12 H SER 17 HN SER 17 -7.533 1.978 9.331 13 HA SER 17 HA SER 17 -8.459 2.543 6.780 14 HB2 SER 17 HB2 SER 17 -7.994 4.439 9.089 15 HB3 SER 17 HB1 SER 17 -8.973 4.798 7.666 16 HG SER 17 HG SER 17 -10.512 3.960 8.844 17 H ASP 18 HN ASP 18 -5.652 4.010 8.438 18 HA ASP 18 HA ASP 18 -4.895 5.671 6.287 19 HB2 ASP 18 HB2 ASP 18 -3.245 4.507 8.539 20 HB3 ASP 18 HB1 ASP 18 -2.641 5.698 7.397 21 H TYR 19 HN TYR 19 -3.843 2.460 7.277 22 HA TYR 19 HA TYR 19 -1.863 1.970 5.415 23 HB2 TYR 19 HB2 TYR 19 -1.852 0.175 6.788 24 HB3 TYR 19 HB1 TYR 19 -3.545 0.387 7.202 25 HD1 TYR 19 HD1 TYR 19 -5.059 -1.265 6.553 26 HD2 TYR 19 HD2 TYR 19 -1.415 -0.835 4.394 27 HE1 TYR 19 HE1 TYR 19 -5.579 -3.282 5.275 28 HE2 TYR 19 HE2 TYR 19 -1.940 -2.856 3.106 29 HH TYR 19 HH TYR 19 -4.943 -4.658 3.686 30 H LEU 20 HN LEU 20 -5.365 1.625 5.048 31 HA LEU 20 HA LEU 20 -5.489 0.029 2.817 32 HB2 LEU 20 HB2 LEU 20 -7.285 2.342 3.522 33 HB3 LEU 20 HB1 LEU 20 -7.664 1.117 2.327 34 HG LEU 20 HG LEU 20 -7.285 0.628 5.285 35 HD11 LEU 20 HD11 LEU 20 -9.678 0.116 5.262 36 HD12 LEU 20 HD12 LEU 20 -9.760 0.606 3.571 37 HD13 LEU 20 HD13 LEU 20 -9.355 1.790 4.815 38 HD21 LEU 20 HD21 LEU 20 -6.554 -1.293 4.015 39 HD22 LEU 20 HD22 LEU 20 -8.033 -1.257 3.057 40 HD23 LEU 20 HD23 LEU 20 -8.107 -1.638 4.777 41 H LYS 21 HN LYS 21 -5.116 3.558 2.889 42 HA LYS 21 HA LYS 21 -5.145 3.641 0.009 43 HB2 LYS 21 HB2 LYS 21 -4.727 5.822 2.041 44 HB3 LYS 21 HB1 LYS 21 -4.797 6.076 0.300 45 HG2 LYS 21 HG2 LYS 21 -7.083 5.090 0.305 46 HG3 LYS 21 HG1 LYS 21 -6.997 5.018 2.068 47 HD2 LYS 21 HD2 LYS 21 -8.197 7.004 1.405 48 HD3 LYS 21 HD1 LYS 21 -6.650 7.469 2.111 49 HE2 LYS 21 HE2 LYS 21 -5.719 7.716 -0.160 50 HE3 LYS 21 HE1 LYS 21 -7.296 7.311 -0.830 51 HZ1 LYS 21 HZ1 LYS 21 -8.220 9.270 0.212 52 HZ2 LYS 21 HZ2 LYS 21 -6.908 9.701 -0.767 53 HZ3 LYS 21 HZ3 LYS 21 -6.726 9.642 0.913 54 H VAL 22 HN VAL 22 -2.765 3.204 2.396 55 HA VAL 22 HA VAL 22 -0.547 4.569 1.464 56 HB VAL 22 HB VAL 22 -0.803 1.899 2.842 57 HG11 VAL 22 HG11 VAL 22 1.798 3.297 2.220 58 HG12 VAL 22 HG12 VAL 22 1.237 1.801 1.473 59 HG13 VAL 22 HG13 VAL 22 1.592 1.842 3.200 60 HG21 VAL 22 HG21 VAL 22 0.214 3.159 4.715 61 HG22 VAL 22 HG22 VAL 22 -1.329 3.831 4.182 62 HG23 VAL 22 HG23 VAL 22 0.182 4.611 3.715 63 H LEU 23 HN LEU 23 -1.289 1.155 0.643 64 HA LEU 23 HA LEU 23 0.743 1.119 -1.341 65 HB2 LEU 23 HB2 LEU 23 -0.856 -1.046 -1.927 66 HB3 LEU 23 HB1 LEU 23 0.580 -1.037 -0.931 67 HG LEU 23 HG LEU 23 -0.886 -0.670 1.062 68 HD11 LEU 23 HD11 LEU 23 -2.840 0.276 0.038 69 HD12 LEU 23 HD12 LEU 23 -3.275 -1.256 0.792 70 HD13 LEU 23 HD13 LEU 23 -3.067 -1.163 -0.955 71 HD21 LEU 23 HD21 LEU 23 -0.047 -2.856 0.580 72 HD22 LEU 23 HD22 LEU 23 -1.296 -3.119 -0.636 73 HD23 LEU 23 HD23 LEU 23 -1.736 -3.007 1.066 74 H GLN 24 HN GLN 24 -2.772 1.482 -1.535 75 HA GLN 24 HA GLN 24 -2.793 0.999 -4.344 76 HB2 GLN 24 HB2 GLN 24 -5.155 1.515 -4.260 77 HB3 GLN 24 HB1 GLN 24 -4.708 0.407 -2.979 78 HG2 GLN 24 HG2 GLN 24 -6.082 1.831 -1.840 79 HG3 GLN 24 HG1 GLN 24 -4.531 2.631 -1.581 80 HE21 GLN 24 HE21 GLN 24 -5.496 4.655 -1.308 81 HE22 GLN 24 HE22 GLN 24 -6.188 5.535 -2.623 82 H ALA 25 HN ALA 25 -2.662 3.903 -2.385 83 HA ALA 25 HA ALA 25 -3.707 5.685 -4.267 84 HB1 ALA 25 HB1 ALA 25 -1.652 6.293 -2.158 85 HB2 ALA 25 HB2 ALA 25 -3.399 6.242 -1.904 86 HB3 ALA 25 HB3 ALA 25 -2.697 7.454 -2.978 87 H ILE 26 HN ILE 26 -0.336 4.672 -3.737 88 HA ILE 26 HA ILE 26 0.943 6.451 -5.368 89 HB ILE 26 HB ILE 26 2.173 4.814 -4.047 90 HG12 ILE 26 HG12 ILE 26 2.805 4.652 -6.999 91 HG13 ILE 26 HG11 ILE 26 3.319 5.929 -5.903 92 HG21 ILE 26 HG21 ILE 26 2.470 2.506 -4.843 93 HG22 ILE 26 HG22 ILE 26 1.246 2.796 -6.081 94 HG23 ILE 26 HG23 ILE 26 0.806 2.854 -4.373 95 HD11 ILE 26 HD11 ILE 26 4.136 3.039 -5.753 96 HD12 ILE 26 HD12 ILE 26 4.649 4.315 -4.651 97 HD13 ILE 26 HD13 ILE 26 5.121 4.375 -6.348 98 H LYS 27 HN LYS 27 -0.805 3.515 -6.426 99 HA LYS 27 HA LYS 27 -0.045 3.950 -9.156 100 HB2 LYS 27 HB2 LYS 27 -1.043 1.950 -9.643 101 HB3 LYS 27 HB1 LYS 27 -0.666 1.710 -7.952 102 HG2 LYS 27 HG2 LYS 27 -2.913 2.028 -7.304 103 HG3 LYS 27 HG1 LYS 27 -3.356 2.660 -8.891 104 HD2 LYS 27 HD2 LYS 27 -2.601 0.344 -9.765 105 HD3 LYS 27 HD1 LYS 27 -2.750 -0.163 -8.082 106 HE2 LYS 27 HE2 LYS 27 -4.785 -0.617 -9.384 107 HE3 LYS 27 HE1 LYS 27 -5.071 0.494 -8.046 108 HZ1 LYS 27 HZ1 LYS 27 -6.157 1.171 -10.130 109 HZ2 LYS 27 HZ2 LYS 27 -4.643 1.334 -10.860 110 HZ3 LYS 27 HZ3 LYS 27 -5.067 2.331 -9.561 111 H SER 28 HN SER 28 -2.890 4.685 -7.180 112 HA SER 28 HA SER 28 -4.387 5.386 -9.586 113 HB2 SER 28 HB2 SER 28 -5.243 4.941 -6.733 114 HB3 SER 28 HB1 SER 28 -6.338 5.515 -7.990 115 HG SER 28 HG SER 28 -6.551 3.527 -8.573 116 H CYS 29 HN CYS 29 -3.488 6.951 -6.486 117 HA CYS 29 HA CYS 29 -4.259 9.523 -7.639 118 HB2 CYS 29 HB2 CYS 29 -6.315 8.649 -6.635 119 HB3 CYS 29 HB1 CYS 29 -5.478 8.402 -5.108 120 HG CYS 29 HG CYS 29 -6.318 10.633 -4.182 121 HA PRO 30 HA PRO 30 -0.653 10.855 -5.354 122 HB2 PRO 30 HB2 PRO 30 -1.959 13.507 -5.516 123 HB3 PRO 30 HB1 PRO 30 -0.354 13.008 -6.059 124 HG2 PRO 30 HG2 PRO 30 -2.314 13.477 -7.807 125 HG3 PRO 30 HG1 PRO 30 -1.148 12.164 -8.062 126 HD2 PRO 30 HD2 PRO 30 -3.975 12.032 -7.088 127 HD3 PRO 30 HD1 PRO 30 -3.105 10.943 -8.190 128 H LYS 31 HN LYS 31 -0.417 12.780 -3.589 129 HA LYS 31 HA LYS 31 -0.783 13.510 -1.472 130 HB2 LYS 31 HB2 LYS 31 -3.540 12.318 -1.796 131 HB3 LYS 31 HB1 LYS 31 -3.012 13.241 -0.399 132 HG2 LYS 31 HG2 LYS 31 -2.675 15.199 -1.801 133 HG3 LYS 31 HG1 LYS 31 -3.157 14.272 -3.224 134 HD2 LYS 31 HD2 LYS 31 -5.371 13.936 -2.280 135 HD3 LYS 31 HD1 LYS 31 -4.893 14.789 -0.812 136 HE2 LYS 31 HE2 LYS 31 -4.514 16.821 -2.131 137 HE3 LYS 31 HE1 LYS 31 -5.025 15.964 -3.585 138 HZ1 LYS 31 HZ1 LYS 31 -6.799 17.314 -2.611 139 HZ2 LYS 31 HZ2 LYS 31 -6.720 16.406 -1.191 140 HZ3 LYS 31 HZ3 LYS 31 -7.202 15.674 -2.636 141 H THR 32 HN THR 32 -0.944 10.306 -2.450 142 HA THR 32 HA THR 32 0.263 9.440 0.022 143 HB THR 32 HB THR 32 -2.156 7.926 -0.977 144 HG1 THR 32 HG1 THR 32 -1.970 10.105 0.730 145 HG21 THR 32 HG21 THR 32 -2.003 6.770 1.171 146 HG22 THR 32 HG22 THR 32 -0.602 7.748 1.608 147 HG23 THR 32 HG23 THR 32 -0.497 6.608 0.268 148 H PHE 33 HN PHE 33 1.481 7.516 -0.258 149 HA PHE 33 HA PHE 33 1.540 6.183 -2.795 150 HB2 PHE 33 HB2 PHE 33 3.774 6.849 -3.453 151 HB3 PHE 33 HB1 PHE 33 2.774 8.287 -3.296 152 HD1 PHE 33 HD1 PHE 33 5.889 6.926 -2.568 153 HD2 PHE 33 HD2 PHE 33 2.857 9.378 -0.867 154 HE1 PHE 33 HE1 PHE 33 7.543 7.894 -1.025 155 HE2 PHE 33 HE2 PHE 33 4.504 10.355 0.675 156 HZ PHE 33 HZ PHE 33 6.868 9.646 0.560 157 H GLN 34 HN GLN 34 3.442 4.599 -2.816 158 HA GLN 34 HA GLN 34 3.840 3.621 -0.070 159 HB2 GLN 34 HB2 GLN 34 2.195 2.332 -1.399 160 HB3 GLN 34 HB1 GLN 34 3.456 1.975 -2.569 161 HG2 GLN 34 HG2 GLN 34 4.724 0.808 -0.823 162 HG3 GLN 34 HG1 GLN 34 3.422 1.135 0.320 163 HE21 GLN 34 HE21 GLN 34 2.830 0.379 -3.026 164 HE22 GLN 34 HE22 GLN 34 2.151 -1.185 -2.755 165 H SER 35 HN SER 35 5.375 4.577 -2.941 166 HA SER 35 HA SER 35 7.296 2.718 -3.472 167 HB2 SER 35 HB2 SER 35 6.849 4.703 -4.858 168 HB3 SER 35 HB1 SER 35 7.651 5.711 -3.655 169 HG SER 35 HG SER 35 8.935 3.524 -4.918 170 H ASN 36 HN ASN 36 8.473 5.710 -1.954 171 HA ASN 36 HA ASN 36 10.419 4.100 -0.485 172 HB2 ASN 36 HB2 ASN 36 10.865 6.340 -1.807 173 HB3 ASN 36 HB1 ASN 36 10.293 7.094 -0.323 174 HD21 ASN 36 HD21 ASN 36 12.920 7.160 -1.568 175 HD22 ASN 36 HD22 ASN 36 14.031 6.558 -0.390 176 H TYR 37 HN TYR 37 7.391 5.164 -0.110 177 HA TYR 37 HA TYR 37 7.364 6.147 2.556 178 HB2 TYR 37 HB2 TYR 37 5.588 6.624 0.902 179 HB3 TYR 37 HB1 TYR 37 5.145 4.923 0.904 180 HD1 TYR 37 HD1 TYR 37 3.917 3.954 2.748 181 HD2 TYR 37 HD2 TYR 37 5.031 8.059 2.792 182 HE1 TYR 37 HE1 TYR 37 2.354 4.351 4.600 183 HE2 TYR 37 HE2 TYR 37 3.466 8.467 4.643 184 HH TYR 37 HH TYR 37 1.496 7.493 5.649 185 H VAL 38 HN VAL 38 7.034 2.981 1.061 186 HA VAL 38 HA VAL 38 6.133 1.582 3.322 187 HB VAL 38 HB VAL 38 6.033 0.656 1.041 188 HG11 VAL 38 HG11 VAL 38 8.026 -0.312 0.054 189 HG12 VAL 38 HG12 VAL 38 8.987 0.275 1.408 190 HG13 VAL 38 HG13 VAL 38 8.224 1.420 0.307 191 HG21 VAL 38 HG21 VAL 38 6.557 -1.630 1.631 192 HG22 VAL 38 HG22 VAL 38 5.866 -0.808 3.028 193 HG23 VAL 38 HG23 VAL 38 7.604 -1.084 2.940 194 H ARG 39 HN ARG 39 9.351 2.513 2.279 195 HA ARG 39 HA ARG 39 10.833 0.945 4.060 196 HB2 ARG 39 HB2 ARG 39 11.802 2.323 2.215 197 HB3 ARG 39 HB1 ARG 39 11.504 3.757 3.191 198 HG2 ARG 39 HG2 ARG 39 13.792 3.141 3.456 199 HG3 ARG 39 HG1 ARG 39 12.944 2.775 4.960 200 HD2 ARG 39 HD2 ARG 39 12.718 0.416 4.151 201 HD3 ARG 39 HD1 ARG 39 13.781 0.839 2.812 202 HE ARG 39 HE ARG 39 15.050 1.566 5.192 203 HH11 ARG 39 HH11 ARG 39 14.057 -1.309 3.473 204 HH12 ARG 39 HH12 ARG 39 15.259 -2.321 4.209 205 HH21 ARG 39 HH21 ARG 39 16.626 0.232 6.174 206 HH22 ARG 39 HH22 ARG 39 16.705 -1.451 5.756 207 H ASN 40 HN ASN 40 8.953 3.821 4.532 208 HA ASN 40 HA ASN 40 9.902 4.224 7.242 209 HB2 ASN 40 HB2 ASN 40 7.642 5.569 5.745 210 HB3 ASN 40 HB1 ASN 40 8.266 6.060 7.315 211 HD21 ASN 40 HD21 ASN 40 8.103 7.561 4.848 212 HD22 ASN 40 HD22 ASN 40 9.719 8.045 4.461 213 H ASN 41 HN ASN 41 6.805 3.399 5.679 214 HA ASN 41 HA ASN 41 5.898 2.357 8.276 215 HB2 ASN 41 HB2 ASN 41 4.356 3.726 6.081 216 HB3 ASN 41 HB1 ASN 41 3.554 2.731 7.294 217 HD21 ASN 41 HD21 ASN 41 3.302 5.598 6.844 218 HD22 ASN 41 HD22 ASN 41 3.778 6.358 8.322 219 H ALA 42 HN ALA 42 7.349 0.582 6.973 220 HA ALA 42 HA ALA 42 6.039 -1.081 5.129 221 HB1 ALA 42 HB1 ALA 42 8.082 -1.871 7.204 222 HB2 ALA 42 HB2 ALA 42 8.440 -1.226 5.603 223 HB3 ALA 42 HB3 ALA 42 7.644 -2.791 5.765 224 H SER 43 HN SER 43 5.784 -0.775 8.584 225 HA SER 43 HA SER 43 4.530 -3.208 9.191 226 HB2 SER 43 HB2 SER 43 3.696 -1.963 11.218 227 HB3 SER 43 HB1 SER 43 5.439 -1.867 10.965 228 HG SER 43 HG SER 43 5.275 0.213 10.694 229 H LEU 44 HN LEU 44 3.236 -0.097 8.120 230 HA LEU 44 HA LEU 44 0.502 -0.773 8.362 231 HB2 LEU 44 HB2 LEU 44 1.859 1.159 6.480 232 HB3 LEU 44 HB1 LEU 44 0.125 1.041 6.697 233 HG LEU 44 HG LEU 44 2.144 1.930 8.756 234 HD11 LEU 44 HD11 LEU 44 1.626 3.598 7.057 235 HD12 LEU 44 HD12 LEU 44 0.949 4.053 8.619 236 HD13 LEU 44 HD13 LEU 44 -0.098 3.389 7.366 237 HD21 LEU 44 HD21 LEU 44 0.202 2.349 10.203 238 HD22 LEU 44 HD22 LEU 44 0.408 0.635 9.848 239 HD23 LEU 44 HD23 LEU 44 -0.837 1.565 9.014 240 H VAL 45 HN VAL 45 2.785 -0.973 5.668 241 HA VAL 45 HA VAL 45 1.015 -2.028 3.770 242 HB VAL 45 HB VAL 45 4.009 -2.447 3.969 243 HG11 VAL 45 HG11 VAL 45 2.153 -2.760 1.613 244 HG12 VAL 45 HG12 VAL 45 2.964 -4.068 2.476 245 HG13 VAL 45 HG13 VAL 45 3.911 -2.889 1.570 246 HG21 VAL 45 HG21 VAL 45 4.076 -0.590 2.312 247 HG22 VAL 45 HG22 VAL 45 3.509 -0.107 3.910 248 HG23 VAL 45 HG23 VAL 45 2.353 -0.336 2.595 249 H ALA 46 HN ALA 46 2.821 -3.537 6.357 250 HA ALA 46 HA ALA 46 2.695 -6.208 5.511 251 HB1 ALA 46 HB1 ALA 46 4.159 -5.427 7.312 252 HB2 ALA 46 HB2 ALA 46 3.172 -6.798 7.818 253 HB3 ALA 46 HB3 ALA 46 2.751 -5.166 8.339 254 H GLU 47 HN GLU 47 0.276 -4.179 6.968 255 HA GLU 47 HA GLU 47 -1.514 -6.114 7.928 256 HB2 GLU 47 HB2 GLU 47 -2.050 -3.408 6.695 257 HB3 GLU 47 HB1 GLU 47 -3.260 -4.371 7.523 258 HG2 GLU 47 HG2 GLU 47 -0.719 -3.383 8.798 259 HG3 GLU 47 HG1 GLU 47 -2.272 -2.556 8.897 260 H ALA 48 HN ALA 48 -0.764 -5.035 4.741 261 HA ALA 48 HA ALA 48 -3.053 -5.719 3.316 262 HB1 ALA 48 HB1 ALA 48 -1.123 -4.365 2.510 263 HB2 ALA 48 HB2 ALA 48 -1.722 -5.565 1.361 264 HB3 ALA 48 HB3 ALA 48 -0.245 -5.878 2.276 265 H ALA 49 HN ALA 49 -0.555 -7.784 4.562 266 HA ALA 49 HA ALA 49 -0.859 -9.962 2.839 267 HB1 ALA 49 HB1 ALA 49 0.073 -11.317 4.651 268 HB2 ALA 49 HB2 ALA 49 -0.195 -9.989 5.782 269 HB3 ALA 49 HB3 ALA 49 0.956 -9.803 4.460 270 H SER 50 HN SER 50 -2.789 -8.855 5.541 271 HA SER 50 HA SER 50 -4.412 -11.206 5.686 272 HB2 SER 50 HB2 SER 50 -4.092 -9.606 7.587 273 HB3 SER 50 HB1 SER 50 -5.068 -8.434 6.705 274 HG SER 50 HG SER 50 -6.249 -10.896 6.905 275 H ARG 51 HN ARG 51 -4.599 -8.119 3.964 276 HA ARG 51 HA ARG 51 -7.232 -8.499 2.966 277 HB2 ARG 51 HB2 ARG 51 -4.951 -6.705 2.334 278 HB3 ARG 51 HB1 ARG 51 -6.148 -6.933 1.073 279 HG2 ARG 51 HG2 ARG 51 -6.665 -4.958 2.341 280 HG3 ARG 51 HG1 ARG 51 -7.900 -6.181 2.632 281 HD2 ARG 51 HD2 ARG 51 -5.573 -5.961 4.488 282 HD3 ARG 51 HD1 ARG 51 -6.893 -4.799 4.614 283 HE ARG 51 HE ARG 51 -8.095 -7.278 4.598 284 HH11 ARG 51 HH11 ARG 51 -5.666 -5.697 6.551 285 HH12 ARG 51 HH12 ARG 51 -6.151 -6.471 8.024 286 HH21 ARG 51 HH21 ARG 51 -8.751 -8.297 6.536 287 HH22 ARG 51 HH22 ARG 51 -7.904 -7.963 8.013 288 H GLY 52 HN GLY 52 -4.028 -9.461 1.874 289 HA2 GLY 52 HA2 GLY 52 -3.873 -11.670 0.918 290 HA3 GLY 52 HA1 GLY 52 -5.405 -11.380 0.116 291 H HIS 53 HN HIS 53 -3.493 -8.609 -0.176 292 HA HIS 53 HA HIS 53 -2.164 -9.623 -2.568 293 HB2 HIS 53 HB2 HIS 53 -4.377 -7.647 -2.569 294 HB3 HIS 53 HB1 HIS 53 -3.040 -7.382 -3.685 295 HD1 HIS 53 HD1 HIS 53 -6.093 -9.371 -3.230 296 HD2 HIS 53 HD2 HIS 53 -2.651 -9.567 -5.550 297 HE1 HIS 53 HE1 HIS 53 -6.621 -10.981 -5.081 298 HE2 HIS 53 HE2 HIS 53 -4.461 -11.228 -6.353 299 H ILE 54 HN ILE 54 -0.216 -8.950 -2.749 300 HA ILE 54 HA ILE 54 0.622 -6.257 -2.387 301 HB ILE 54 HB ILE 54 2.583 -7.291 -0.821 302 HG12 ILE 54 HG12 ILE 54 0.003 -8.498 0.203 303 HG13 ILE 54 HG11 ILE 54 1.374 -9.396 -0.440 304 HG21 ILE 54 HG21 ILE 54 0.085 -5.886 0.085 305 HG22 ILE 54 HG22 ILE 54 1.565 -5.141 -0.521 306 HG23 ILE 54 HG23 ILE 54 1.579 -6.008 1.015 307 HD11 ILE 54 HD11 ILE 54 1.353 -9.475 1.973 308 HD12 ILE 54 HD12 ILE 54 1.354 -7.714 2.054 309 HD13 ILE 54 HD13 ILE 54 2.756 -8.566 1.408 310 H SER 55 HN SER 55 3.043 -6.097 -2.828 311 HA SER 55 HA SER 55 4.155 -8.414 -4.174 312 HB2 SER 55 HB2 SER 55 2.848 -7.176 -5.910 313 HB3 SER 55 HB1 SER 55 3.869 -5.771 -5.615 314 HG SER 55 HG SER 55 4.445 -8.158 -6.919 315 H CYS 56 HN CYS 56 6.161 -8.608 -3.427 316 HA CYS 56 HA CYS 56 7.518 -6.225 -2.401 317 HB2 CYS 56 HB2 CYS 56 9.043 -7.960 -1.332 318 HB3 CYS 56 HB1 CYS 56 7.385 -7.914 -0.746 319 HG CYS 56 HG CYS 56 8.876 -10.276 -2.692 320 H ALA 57 HN ALA 57 9.099 -5.326 -3.519 321 HA ALA 57 HA ALA 57 10.194 -6.665 -5.832 322 HB1 ALA 57 HB1 ALA 57 11.362 -4.561 -6.243 323 HB2 ALA 57 HB2 ALA 57 10.824 -3.952 -4.678 324 HB3 ALA 57 HB3 ALA 57 9.645 -4.293 -5.945 325 H THR 58 HN THR 58 11.524 -5.355 -2.777 326 HA THR 58 HA THR 58 13.256 -7.640 -2.636 327 HB THR 58 HB THR 58 14.692 -5.017 -2.399 328 HG1 THR 58 HG1 THR 58 13.859 -6.271 -4.691 329 HG21 THR 58 HG21 THR 58 16.659 -6.424 -2.754 330 HG22 THR 58 HG22 THR 58 15.621 -7.841 -2.900 331 HG23 THR 58 HG23 THR 58 15.719 -6.975 -1.367 332 H THR 59 HN THR 59 12.155 -4.658 -1.242 333 HA THR 59 HA THR 59 11.579 -4.031 0.849 334 HB THR 59 HB THR 59 12.055 -6.864 1.769 335 HG1 THR 59 HG1 THR 59 10.333 -7.423 0.672 336 HG21 THR 59 HG21 THR 59 10.299 -6.323 3.395 337 HG22 THR 59 HG22 THR 59 10.176 -4.694 2.728 338 HG23 THR 59 HG23 THR 59 11.657 -5.207 3.540 339 H SER 60 HN SER 60 14.562 -5.732 0.380 340 HA SER 60 HA SER 60 15.757 -5.373 2.870 341 HB2 SER 60 HB2 SER 60 17.168 -5.469 0.205 342 HB3 SER 60 HB1 SER 60 17.828 -5.927 1.776 343 HG SER 60 HG SER 60 17.161 -7.767 0.639 344 H GLY 61 HN GLY 61 15.961 -3.309 -0.028 345 HA2 GLY 61 HA2 GLY 61 17.409 -1.331 1.579 346 HA3 GLY 61 HA1 GLY 61 17.321 -1.359 -0.174 347 H ARG 62 HN ARG 62 16.755 0.838 -0.139 348 HA ARG 62 HA ARG 62 13.980 1.370 0.705 349 HB2 ARG 62 HB2 ARG 62 14.653 3.747 0.874 350 HB3 ARG 62 HB1 ARG 62 15.574 2.717 1.964 351 HG2 ARG 62 HG2 ARG 62 17.421 2.702 0.326 352 HG3 ARG 62 HG1 ARG 62 16.503 3.824 -0.676 353 HD2 ARG 62 HD2 ARG 62 17.410 4.338 2.152 354 HD3 ARG 62 HD1 ARG 62 18.195 4.957 0.702 355 HE ARG 62 HE ARG 62 15.606 5.795 1.785 356 HH11 ARG 62 HH11 ARG 62 18.101 6.136 -0.640 357 HH12 ARG 62 HH12 ARG 62 17.614 7.735 -1.101 358 HH21 ARG 62 HH21 ARG 62 14.958 7.911 1.186 359 HH22 ARG 62 HH22 ARG 62 15.831 8.753 -0.056 360 H ASN 63 HN ASN 63 15.965 0.859 -1.890 361 HA ASN 63 HA ASN 63 14.515 2.698 -3.658 362 HB2 ASN 63 HB2 ASN 63 17.125 1.218 -3.984 363 HB3 ASN 63 HB1 ASN 63 16.354 2.117 -5.292 364 HD21 ASN 63 HD21 ASN 63 18.925 2.556 -4.031 365 HD22 ASN 63 HD22 ASN 63 18.889 4.162 -3.395 366 H GLY 64 HN GLY 64 16.102 -0.346 -4.480 367 HA2 GLY 64 HA2 GLY 64 13.827 -1.219 -6.000 368 HA3 GLY 64 HA1 GLY 64 15.310 -2.124 -5.724 369 H GLY 65 HN GLY 65 14.936 -1.591 -2.765 370 HA2 GLY 65 HA2 GLY 65 13.298 -3.957 -2.319 371 HA3 GLY 65 HA1 GLY 65 14.316 -3.153 -1.129 372 H ALA 66 HN ALA 66 11.397 -2.602 -3.065 373 HA ALA 66 HA ALA 66 10.127 -1.506 -0.646 374 HB1 ALA 66 HB1 ALA 66 9.820 -0.458 -3.460 375 HB2 ALA 66 HB2 ALA 66 10.695 0.336 -2.151 376 HB3 ALA 66 HB3 ALA 66 8.948 0.124 -2.041 377 H TRP 67 HN TRP 67 7.719 -1.608 -0.779 378 HA TRP 67 HA TRP 67 6.840 -3.977 -2.258 379 HB2 TRP 67 HB2 TRP 67 5.589 -2.437 0.022 380 HB3 TRP 67 HB1 TRP 67 4.752 -3.715 -0.846 381 HD1 TRP 67 HD1 TRP 67 7.813 -3.218 1.458 382 HE1 TRP 67 HE1 TRP 67 8.267 -5.442 2.667 383 HE3 TRP 67 HE3 TRP 67 4.376 -6.166 -0.930 384 HZ2 TRP 67 HZ2 TRP 67 7.303 -8.090 2.621 385 HZ3 TRP 67 HZ3 TRP 67 4.211 -8.532 -0.282 386 HH2 TRP 67 HH2 TRP 67 5.641 -9.472 1.451 387 H GLU 68 HN GLU 68 5.315 -3.862 -3.822 388 HA GLU 68 HA GLU 68 4.059 -1.243 -4.299 389 HB2 GLU 68 HB2 GLU 68 4.129 -1.575 -6.653 390 HB3 GLU 68 HB1 GLU 68 5.747 -1.925 -6.065 391 HG2 GLU 68 HG2 GLU 68 5.354 -4.292 -6.253 392 HG3 GLU 68 HG1 GLU 68 3.667 -4.009 -6.682 393 H ILE 69 HN ILE 69 1.921 -1.481 -5.435 394 HA ILE 69 HA ILE 69 0.506 -3.693 -4.143 395 HB ILE 69 HB ILE 69 -0.248 -1.340 -3.727 396 HG12 ILE 69 HG12 ILE 69 -2.223 -3.191 -5.085 397 HG13 ILE 69 HG11 ILE 69 -1.756 -3.241 -3.390 398 HG21 ILE 69 HG21 ILE 69 -1.079 -1.462 -6.624 399 HG22 ILE 69 HG22 ILE 69 0.170 -0.421 -5.940 400 HG23 ILE 69 HG23 ILE 69 -1.517 -0.190 -5.482 401 HD11 ILE 69 HD11 ILE 69 -2.745 -1.013 -3.083 402 HD12 ILE 69 HD12 ILE 69 -3.915 -2.213 -3.626 403 HD13 ILE 69 HD13 ILE 69 -3.266 -1.035 -4.766 404 H THR 70 HN THR 70 -0.989 -4.974 -5.295 405 HA THR 70 HA THR 70 -0.453 -5.229 -8.124 406 HB THR 70 HB THR 70 -2.025 -7.154 -7.997 407 HG1 THR 70 HG1 THR 70 -3.408 -6.953 -6.388 408 HG21 THR 70 HG21 THR 70 -0.610 -8.585 -6.586 409 HG22 THR 70 HG22 THR 70 0.134 -7.150 -5.879 410 HG23 THR 70 HG23 THR 70 0.362 -7.510 -7.591 411 H ALA 71 HN ALA 71 -2.287 -5.236 -9.694 412 HA ALA 71 HA ALA 71 -3.596 -2.780 -9.618 413 HB1 ALA 71 HB1 ALA 71 -4.382 -5.191 -11.248 414 HB2 ALA 71 HB2 ALA 71 -3.122 -4.035 -11.678 415 HB3 ALA 71 HB3 ALA 71 -4.804 -3.513 -11.586 416 H SER 72 HN SER 72 -4.712 -5.951 -8.663 417 HA SER 72 HA SER 72 -7.459 -5.341 -8.453 418 HB2 SER 72 HB2 SER 72 -7.449 -7.488 -7.049 419 HB3 SER 72 HB1 SER 72 -6.876 -7.615 -8.711 420 HG SER 72 HG SER 72 -4.980 -8.160 -7.996 421 H GLY 73 HN GLY 73 -4.798 -4.744 -6.296 422 HA2 GLY 73 HA2 GLY 73 -6.070 -5.169 -3.825 423 HA3 GLY 73 HA1 GLY 73 -4.657 -4.160 -4.087 424 H THR 74 HN THR 74 -5.799 -2.310 -5.841 425 HA THR 74 HA THR 74 -6.650 -0.394 -4.022 426 HB THR 74 HB THR 74 -6.888 -0.456 -7.035 427 HG1 THR 74 HG1 THR 74 -5.028 1.197 -5.981 428 HG21 THR 74 HG21 THR 74 -7.044 1.988 -6.915 429 HG22 THR 74 HG22 THR 74 -7.087 1.903 -5.154 430 HG23 THR 74 HG23 THR 74 -8.411 1.226 -6.103 431 H ARG 75 HN ARG 75 -8.585 -2.666 -5.895 432 HA ARG 75 HA ARG 75 -10.928 -1.016 -5.858 433 HB2 ARG 75 HB2 ARG 75 -10.716 -3.969 -6.442 434 HB3 ARG 75 HB1 ARG 75 -12.076 -2.927 -6.831 435 HG2 ARG 75 HG2 ARG 75 -10.582 -1.627 -8.328 436 HG3 ARG 75 HG1 ARG 75 -9.312 -2.811 -8.010 437 HD2 ARG 75 HD2 ARG 75 -10.853 -4.585 -8.846 438 HD3 ARG 75 HD1 ARG 75 -11.989 -3.317 -9.296 439 HE ARG 75 HE ARG 75 -9.277 -3.260 -10.401 440 HH11 ARG 75 HH11 ARG 75 -12.719 -3.633 -10.890 441 HH12 ARG 75 HH12 ARG 75 -12.609 -3.570 -12.618 442 HH21 ARG 75 HH21 ARG 75 -9.122 -3.218 -12.676 443 HH22 ARG 75 HH22 ARG 75 -10.563 -3.331 -13.636 444 H PHE 76 HN PHE 76 -10.185 -4.122 -4.227 445 HA PHE 76 HA PHE 76 -12.571 -3.921 -2.660 446 HB2 PHE 76 HB2 PHE 76 -11.471 -5.928 -1.416 447 HB3 PHE 76 HB1 PHE 76 -12.107 -6.118 -3.035 448 HD1 PHE 76 HD1 PHE 76 -8.947 -5.554 -1.168 449 HD2 PHE 76 HD2 PHE 76 -10.797 -6.960 -4.730 450 HE1 PHE 76 HE1 PHE 76 -6.798 -6.495 -1.910 451 HE2 PHE 76 HE2 PHE 76 -8.654 -7.897 -5.481 452 HZ PHE 76 HZ PHE 76 -6.651 -7.665 -4.074 453 H LEU 77 HN LEU 77 -9.158 -3.442 -1.975 454 HA LEU 77 HA LEU 77 -9.514 -3.380 0.829 455 HB2 LEU 77 HB2 LEU 77 -7.338 -3.757 0.675 456 HB3 LEU 77 HB1 LEU 77 -7.344 -3.302 -1.020 457 HG LEU 77 HG LEU 77 -7.395 -1.011 0.788 458 HD11 LEU 77 HD11 LEU 77 -6.039 -2.518 2.144 459 HD12 LEU 77 HD12 LEU 77 -5.064 -1.219 1.462 460 HD13 LEU 77 HD13 LEU 77 -4.996 -2.833 0.756 461 HD21 LEU 77 HD21 LEU 77 -5.627 -0.244 -0.721 462 HD22 LEU 77 HD22 LEU 77 -7.039 -0.812 -1.612 463 HD23 LEU 77 HD23 LEU 77 -5.602 -1.828 -1.494 464 H LYS 78 HN LYS 78 -9.257 -0.769 -1.580 465 HA LYS 78 HA LYS 78 -8.948 1.299 0.328 466 HB2 LYS 78 HB2 LYS 78 -8.247 1.615 -1.966 467 HB3 LYS 78 HB1 LYS 78 -9.896 1.403 -2.532 468 HG2 LYS 78 HG2 LYS 78 -10.564 3.452 -1.391 469 HG3 LYS 78 HG1 LYS 78 -8.916 3.660 -0.787 470 HD2 LYS 78 HD2 LYS 78 -9.351 5.062 -2.746 471 HD3 LYS 78 HD1 LYS 78 -8.090 3.873 -3.062 472 HE2 LYS 78 HE2 LYS 78 -9.566 4.019 -4.966 473 HE3 LYS 78 HE1 LYS 78 -9.757 2.449 -4.192 474 HZ1 LYS 78 HZ1 LYS 78 -11.769 3.219 -3.151 475 HZ2 LYS 78 HZ2 LYS 78 -11.877 3.463 -4.817 476 HZ3 LYS 78 HZ3 LYS 78 -11.566 4.769 -3.792 477 H ARG 79 HN ARG 79 -11.768 -0.145 -1.175 478 HA ARG 79 HA ARG 79 -13.611 1.864 -0.399 479 HB2 ARG 79 HB2 ARG 79 -15.353 0.317 -1.028 480 HB3 ARG 79 HB1 ARG 79 -14.060 0.241 -2.215 481 HG2 ARG 79 HG2 ARG 79 -13.246 -1.813 -1.265 482 HG3 ARG 79 HG1 ARG 79 -14.430 -1.709 0.041 483 HD2 ARG 79 HD2 ARG 79 -15.098 -1.944 -2.894 484 HD3 ARG 79 HD1 ARG 79 -15.092 -3.287 -1.750 485 HE ARG 79 HE ARG 79 -16.762 -1.482 -0.603 486 HH11 ARG 79 HH11 ARG 79 -16.638 -3.007 -3.747 487 HH12 ARG 79 HH12 ARG 79 -18.351 -2.933 -3.990 488 HH21 ARG 79 HH21 ARG 79 -19.014 -1.383 -0.918 489 HH22 ARG 79 HH22 ARG 79 -19.707 -2.020 -2.376 490 H MET 80 HN MET 80 -12.012 -0.529 1.378 491 HA MET 80 HA MET 80 -14.076 -1.127 3.268 492 HB2 MET 80 HB2 MET 80 -11.089 -1.546 3.392 493 HB3 MET 80 HB1 MET 80 -12.230 -2.160 4.580 494 HG2 MET 80 HG2 MET 80 -12.183 -2.871 1.661 495 HG3 MET 80 HG1 MET 80 -11.570 -3.871 2.978 496 HE1 MET 80 HE1 MET 80 -14.792 -5.777 1.803 497 HE2 MET 80 HE2 MET 80 -13.058 -5.900 2.104 498 HE3 MET 80 HE3 MET 80 -13.654 -4.883 0.794 499 H GLY 81 HN GLY 81 -12.875 1.737 2.760 500 HA2 GLY 81 HA2 GLY 81 -13.462 3.470 4.361 501 HA3 GLY 81 HA1 GLY 81 -12.894 2.405 5.636 502 H GLY 82 HN GLY 82 -11.320 3.242 2.563 503 HA2 GLY 82 HA2 GLY 82 -8.778 3.536 3.668 504 HA3 GLY 82 HA1 GLY 82 -9.283 4.205 2.128 505 H CYS 83 HN CYS 83 -8.179 4.877 5.170 506 HA CYS 83 HA CYS 83 -7.775 6.740 6.376 507 HB2 CYS 83 HB2 CYS 83 -7.154 7.617 4.079 508 HB3 CYS 83 HB1 CYS 83 -8.750 8.351 4.017 509 HG CYS 83 HG CYS 83 -6.190 9.137 6.142 510 H VAL 84 HN VAL 84 -10.533 5.495 6.149 511 HA VAL 84 HA VAL 84 -12.138 7.766 7.088 512 HB VAL 84 HB VAL 84 -13.030 4.959 6.387 513 HG11 VAL 84 HG11 VAL 84 -15.304 5.860 6.553 514 HG12 VAL 84 HG12 VAL 84 -14.650 7.406 7.096 515 HG13 VAL 84 HG13 VAL 84 -14.453 5.966 8.093 516 HG21 VAL 84 HG21 VAL 84 -14.067 6.009 4.429 517 HG22 VAL 84 HG22 VAL 84 -12.316 6.215 4.424 518 HG23 VAL 84 HG23 VAL 84 -13.361 7.558 4.888 Start of MODEL 7 1 H1 MET 16 HT1 MET 16 -6.855 0.462 10.589 2 H2 MET 16 HT2 MET 16 -5.284 1.058 10.417 3 H3 MET 16 HT3 MET 16 -5.534 -0.523 10.953 4 HA MET 16 HA MET 16 -4.826 -0.489 8.657 5 HB2 MET 16 HB2 MET 16 -6.514 -1.951 7.771 6 HB3 MET 16 HB1 MET 16 -6.370 -2.260 9.494 7 HG2 MET 16 HG2 MET 16 -8.379 -0.971 9.917 8 HG3 MET 16 HG1 MET 16 -8.510 -0.580 8.204 9 HE1 MET 16 HE1 MET 16 -11.509 -3.025 8.702 10 HE2 MET 16 HE2 MET 16 -10.995 -1.446 8.110 11 HE3 MET 16 HE3 MET 16 -10.926 -1.807 9.835 12 H SER 17 HN SER 17 -7.102 1.892 9.461 13 HA SER 17 HA SER 17 -8.403 2.324 7.028 14 HB2 SER 17 HB2 SER 17 -7.696 4.353 9.156 15 HB3 SER 17 HB1 SER 17 -8.964 4.517 7.939 16 HG SER 17 HG SER 17 -10.222 3.477 9.245 17 H ASP 18 HN ASP 18 -5.513 3.944 8.350 18 HA ASP 18 HA ASP 18 -5.108 5.567 6.056 19 HB2 ASP 18 HB2 ASP 18 -3.293 4.786 8.326 20 HB3 ASP 18 HB1 ASP 18 -2.792 5.878 7.042 21 H TYR 19 HN TYR 19 -3.870 2.453 7.096 22 HA TYR 19 HA TYR 19 -1.862 2.065 5.224 23 HB2 TYR 19 HB2 TYR 19 -1.715 0.228 6.508 24 HB3 TYR 19 HB1 TYR 19 -3.368 0.426 7.077 25 HD1 TYR 19 HD1 TYR 19 -5.002 -1.126 6.452 26 HD2 TYR 19 HD2 TYR 19 -1.400 -0.884 4.205 27 HE1 TYR 19 HE1 TYR 19 -5.637 -3.147 5.221 28 HE2 TYR 19 HE2 TYR 19 -2.036 -2.902 2.961 29 HH TYR 19 HH TYR 19 -3.482 -4.903 3.369 30 H LEU 20 HN LEU 20 -5.340 1.742 4.884 31 HA LEU 20 HA LEU 20 -5.531 0.145 2.653 32 HB2 LEU 20 HB2 LEU 20 -7.245 2.540 3.298 33 HB3 LEU 20 HB1 LEU 20 -7.665 1.260 2.176 34 HG LEU 20 HG LEU 20 -7.313 0.964 5.160 35 HD11 LEU 20 HD11 LEU 20 -9.710 0.497 5.144 36 HD12 LEU 20 HD12 LEU 20 -9.762 0.828 3.412 37 HD13 LEU 20 HD13 LEU 20 -9.358 2.119 4.545 38 HD21 LEU 20 HD21 LEU 20 -6.577 -1.043 4.001 39 HD22 LEU 20 HD22 LEU 20 -8.081 -1.081 3.083 40 HD23 LEU 20 HD23 LEU 20 -8.107 -1.326 4.828 41 H LYS 21 HN LYS 21 -5.095 3.667 2.744 42 HA LYS 21 HA LYS 21 -5.074 3.786 -0.137 43 HB2 LYS 21 HB2 LYS 21 -4.628 5.929 1.936 44 HB3 LYS 21 HB1 LYS 21 -4.676 6.211 0.200 45 HG2 LYS 21 HG2 LYS 21 -6.984 5.358 0.138 46 HG3 LYS 21 HG1 LYS 21 -6.928 5.131 1.887 47 HD2 LYS 21 HD2 LYS 21 -8.065 7.208 1.336 48 HD3 LYS 21 HD1 LYS 21 -6.553 7.536 2.183 49 HE2 LYS 21 HE2 LYS 21 -5.463 8.059 0.074 50 HE3 LYS 21 HE1 LYS 21 -6.940 7.670 -0.806 51 HZ1 LYS 21 HZ1 LYS 21 -6.712 9.826 1.220 52 HZ2 LYS 21 HZ2 LYS 21 -8.051 9.497 0.244 53 HZ3 LYS 21 HZ3 LYS 21 -6.618 10.066 -0.450 54 H VAL 22 HN VAL 22 -2.734 3.253 2.269 55 HA VAL 22 HA VAL 22 -0.500 4.639 1.412 56 HB VAL 22 HB VAL 22 -0.765 1.922 2.691 57 HG11 VAL 22 HG11 VAL 22 1.620 1.908 3.127 58 HG12 VAL 22 HG12 VAL 22 1.819 3.411 2.223 59 HG13 VAL 22 HG13 VAL 22 1.327 1.937 1.388 60 HG21 VAL 22 HG21 VAL 22 -1.405 3.825 4.043 61 HG22 VAL 22 HG22 VAL 22 0.134 4.616 3.699 62 HG23 VAL 22 HG23 VAL 22 0.100 3.131 4.654 63 H LEU 23 HN LEU 23 -1.181 1.237 0.517 64 HA LEU 23 HA LEU 23 0.819 1.329 -1.499 65 HB2 LEU 23 HB2 LEU 23 -0.664 -0.898 -2.112 66 HB3 LEU 23 HB1 LEU 23 0.761 -0.837 -1.102 67 HG LEU 23 HG LEU 23 -0.729 -0.597 0.886 68 HD11 LEU 23 HD11 LEU 23 -2.884 -1.099 -1.161 69 HD12 LEU 23 HD12 LEU 23 -2.715 0.308 -0.111 70 HD13 LEU 23 HD13 LEU 23 -3.099 -1.266 0.579 71 HD21 LEU 23 HD21 LEU 23 -1.068 -3.015 -0.878 72 HD22 LEU 23 HD22 LEU 23 -1.489 -2.957 0.832 73 HD23 LEU 23 HD23 LEU 23 0.188 -2.742 0.331 74 H GLN 24 HN GLN 24 -2.733 1.560 -1.656 75 HA GLN 24 HA GLN 24 -2.689 1.247 -4.498 76 HB2 GLN 24 HB2 GLN 24 -5.089 1.666 -4.435 77 HB3 GLN 24 HB1 GLN 24 -4.597 0.402 -3.324 78 HG2 GLN 24 HG2 GLN 24 -6.137 1.600 -2.096 79 HG3 GLN 24 HG1 GLN 24 -4.609 2.292 -1.560 80 HE21 GLN 24 HE21 GLN 24 -6.052 3.012 -4.666 81 HE22 GLN 24 HE22 GLN 24 -6.443 4.657 -4.314 82 H ALA 25 HN ALA 25 -2.513 4.030 -2.415 83 HA ALA 25 HA ALA 25 -3.748 5.857 -4.176 84 HB1 ALA 25 HB1 ALA 25 -1.637 6.491 -2.136 85 HB2 ALA 25 HB2 ALA 25 -3.360 6.327 -1.797 86 HB3 ALA 25 HB3 ALA 25 -2.787 7.615 -2.858 87 H ILE 26 HN ILE 26 -0.308 5.058 -3.737 88 HA ILE 26 HA ILE 26 0.828 6.895 -5.403 89 HB ILE 26 HB ILE 26 2.239 5.494 -4.119 90 HG12 ILE 26 HG12 ILE 26 2.636 4.864 -7.048 91 HG13 ILE 26 HG11 ILE 26 3.242 6.279 -6.197 92 HG21 ILE 26 HG21 ILE 26 1.449 3.087 -5.734 93 HG22 ILE 26 HG22 ILE 26 0.684 3.516 -4.207 94 HG23 ILE 26 HG23 ILE 26 2.406 3.139 -4.246 95 HD11 ILE 26 HD11 ILE 26 4.641 4.812 -4.810 96 HD12 ILE 26 HD12 ILE 26 5.012 4.687 -6.528 97 HD13 ILE 26 HD13 ILE 26 4.069 3.425 -5.737 98 H LYS 27 HN LYS 27 -0.727 3.847 -6.425 99 HA LYS 27 HA LYS 27 0.080 4.168 -9.153 100 HB2 LYS 27 HB2 LYS 27 -1.231 2.214 -9.595 101 HB3 LYS 27 HB1 LYS 27 -0.368 1.967 -8.093 102 HG2 LYS 27 HG2 LYS 27 -2.381 2.457 -6.831 103 HG3 LYS 27 HG1 LYS 27 -3.259 2.754 -8.331 104 HD2 LYS 27 HD2 LYS 27 -1.882 0.137 -7.917 105 HD3 LYS 27 HD1 LYS 27 -3.432 0.439 -7.132 106 HE2 LYS 27 HE2 LYS 27 -3.761 -0.701 -9.240 107 HE3 LYS 27 HE1 LYS 27 -4.437 0.923 -9.305 108 HZ1 LYS 27 HZ1 LYS 27 -2.637 1.660 -10.629 109 HZ2 LYS 27 HZ2 LYS 27 -3.163 0.208 -11.313 110 HZ3 LYS 27 HZ3 LYS 27 -1.756 0.237 -10.377 111 H SER 28 HN SER 28 -2.547 5.279 -7.231 112 HA SER 28 HA SER 28 -4.271 5.716 -9.547 113 HB2 SER 28 HB2 SER 28 -5.191 4.689 -7.472 114 HB3 SER 28 HB1 SER 28 -4.847 6.188 -6.613 115 HG SER 28 HG SER 28 -6.258 6.657 -8.879 116 H CYS 29 HN CYS 29 -2.850 7.592 -6.872 117 HA CYS 29 HA CYS 29 -2.789 9.966 -8.529 118 HB2 CYS 29 HB2 CYS 29 -5.081 9.971 -7.557 119 HB3 CYS 29 HB1 CYS 29 -4.375 9.941 -5.946 120 HG CYS 29 HG CYS 29 -4.325 12.492 -8.213 121 HA PRO 30 HA PRO 30 0.929 10.009 -6.159 122 HB2 PRO 30 HB2 PRO 30 2.043 12.241 -7.177 123 HB3 PRO 30 HB1 PRO 30 1.891 10.746 -8.109 124 HG2 PRO 30 HG2 PRO 30 0.176 13.198 -8.168 125 HG3 PRO 30 HG1 PRO 30 0.785 12.228 -9.522 126 HD2 PRO 30 HD2 PRO 30 -1.745 11.993 -8.539 127 HD3 PRO 30 HD1 PRO 30 -0.867 10.647 -9.293 128 H LYS 31 HN LYS 31 -1.352 11.099 -4.746 129 HA LYS 31 HA LYS 31 -0.151 13.379 -3.340 130 HB2 LYS 31 HB2 LYS 31 -2.841 12.034 -2.984 131 HB3 LYS 31 HB1 LYS 31 -2.281 13.417 -2.054 132 HG2 LYS 31 HG2 LYS 31 -2.170 14.746 -4.103 133 HG3 LYS 31 HG1 LYS 31 -2.744 13.359 -5.030 134 HD2 LYS 31 HD2 LYS 31 -4.256 14.721 -2.801 135 HD3 LYS 31 HD1 LYS 31 -4.544 14.959 -4.524 136 HE2 LYS 31 HE2 LYS 31 -5.064 12.556 -4.737 137 HE3 LYS 31 HE1 LYS 31 -4.850 12.376 -2.997 138 HZ1 LYS 31 HZ1 LYS 31 -7.175 12.609 -3.580 139 HZ2 LYS 31 HZ2 LYS 31 -6.870 14.097 -4.320 140 HZ3 LYS 31 HZ3 LYS 31 -6.666 13.929 -2.653 141 H THR 32 HN THR 32 -1.966 10.586 -2.123 142 HA THR 32 HA THR 32 0.093 9.956 -0.192 143 HB THR 32 HB THR 32 -2.307 8.270 -0.942 144 HG1 THR 32 HG1 THR 32 -2.106 10.615 0.586 145 HG21 THR 32 HG21 THR 32 -0.696 8.463 1.609 146 HG22 THR 32 HG22 THR 32 -0.606 7.155 0.431 147 HG23 THR 32 HG23 THR 32 -2.090 7.416 1.345 148 H PHE 33 HN PHE 33 1.391 8.028 -0.314 149 HA PHE 33 HA PHE 33 1.435 6.685 -2.880 150 HB2 PHE 33 HB2 PHE 33 3.857 7.205 -3.188 151 HB3 PHE 33 HB1 PHE 33 2.799 8.600 -3.370 152 HD1 PHE 33 HD1 PHE 33 4.962 6.884 -0.873 153 HD2 PHE 33 HD2 PHE 33 3.202 10.534 -2.167 154 HE1 PHE 33 HE1 PHE 33 6.265 8.106 0.817 155 HE2 PHE 33 HE2 PHE 33 4.501 11.761 -0.476 156 HZ PHE 33 HZ PHE 33 6.031 10.548 1.019 157 H GLN 34 HN GLN 34 3.410 5.150 -2.899 158 HA GLN 34 HA GLN 34 3.591 3.893 -0.249 159 HB2 GLN 34 HB2 GLN 34 3.070 1.859 -1.164 160 HB3 GLN 34 HB1 GLN 34 2.241 2.870 -2.312 161 HG2 GLN 34 HG2 GLN 34 4.219 2.763 -3.784 162 HG3 GLN 34 HG1 GLN 34 4.950 1.627 -2.654 163 HE21 GLN 34 HE21 GLN 34 2.446 0.324 -2.020 164 HE22 GLN 34 HE22 GLN 34 2.038 -0.646 -3.387 165 H SER 35 HN SER 35 5.266 5.479 -2.607 166 HA SER 35 HA SER 35 7.451 4.008 -3.337 167 HB2 SER 35 HB2 SER 35 7.630 6.947 -2.696 168 HB3 SER 35 HB1 SER 35 8.450 6.052 -3.977 169 HG SER 35 HG SER 35 6.825 6.751 -5.132 170 H ASN 36 HN ASN 36 7.828 6.568 -0.873 171 HA ASN 36 HA ASN 36 9.884 4.915 0.402 172 HB2 ASN 36 HB2 ASN 36 10.528 6.943 1.626 173 HB3 ASN 36 HB1 ASN 36 10.520 7.238 -0.109 174 HD21 ASN 36 HD21 ASN 36 9.128 8.714 -0.956 175 HD22 ASN 36 HD22 ASN 36 8.108 9.726 0.006 176 H TYR 37 HN TYR 37 6.685 5.353 0.572 177 HA TYR 37 HA TYR 37 6.187 5.680 3.342 178 HB2 TYR 37 HB2 TYR 37 4.647 5.633 1.077 179 HB3 TYR 37 HB1 TYR 37 4.239 4.090 1.815 180 HD1 TYR 37 HD1 TYR 37 3.333 4.083 4.179 181 HD2 TYR 37 HD2 TYR 37 3.753 7.643 1.892 182 HE1 TYR 37 HE1 TYR 37 1.734 5.218 5.662 183 HE2 TYR 37 HE2 TYR 37 2.159 8.789 3.368 184 HH TYR 37 HH TYR 37 0.308 8.194 4.892 185 H VAL 38 HN VAL 38 6.653 2.895 1.242 186 HA VAL 38 HA VAL 38 6.082 0.868 3.105 187 HB VAL 38 HB VAL 38 7.966 0.834 0.738 188 HG11 VAL 38 HG11 VAL 38 6.830 -1.482 2.301 189 HG12 VAL 38 HG12 VAL 38 8.512 -0.953 2.312 190 HG13 VAL 38 HG13 VAL 38 7.799 -1.595 0.833 191 HG21 VAL 38 HG21 VAL 38 5.127 -0.148 1.006 192 HG22 VAL 38 HG22 VAL 38 6.134 -0.255 -0.435 193 HG23 VAL 38 HG23 VAL 38 5.631 1.321 0.174 194 H ARG 39 HN ARG 39 9.036 2.635 2.382 195 HA ARG 39 HA ARG 39 10.876 1.215 3.888 196 HB2 ARG 39 HB2 ARG 39 11.339 3.196 2.397 197 HB3 ARG 39 HB1 ARG 39 10.798 4.225 3.717 198 HG2 ARG 39 HG2 ARG 39 13.168 4.147 3.803 199 HG3 ARG 39 HG1 ARG 39 12.563 3.172 5.144 200 HD2 ARG 39 HD2 ARG 39 14.451 2.115 3.902 201 HD3 ARG 39 HD1 ARG 39 12.981 1.137 3.937 202 HE ARG 39 HE ARG 39 13.743 2.804 1.624 203 HH11 ARG 39 HH11 ARG 39 12.614 -0.207 3.006 204 HH12 ARG 39 HH12 ARG 39 12.274 -0.931 1.465 205 HH21 ARG 39 HH21 ARG 39 13.304 1.858 -0.403 206 HH22 ARG 39 HH22 ARG 39 12.676 0.240 -0.472 207 H ASN 40 HN ASN 40 8.863 3.943 4.961 208 HA ASN 40 HA ASN 40 9.803 3.665 7.678 209 HB2 ASN 40 HB2 ASN 40 9.338 5.882 6.652 210 HB3 ASN 40 HB1 ASN 40 7.632 5.458 6.575 211 HD21 ASN 40 HD21 ASN 40 10.282 6.323 8.629 212 HD22 ASN 40 HD22 ASN 40 9.343 6.662 10.041 213 H ASN 41 HN ASN 41 6.676 3.336 6.017 214 HA ASN 41 HA ASN 41 5.538 2.242 8.489 215 HB2 ASN 41 HB2 ASN 41 4.147 3.266 6.003 216 HB3 ASN 41 HB1 ASN 41 3.353 2.727 7.480 217 HD21 ASN 41 HD21 ASN 41 3.452 4.022 9.323 218 HD22 ASN 41 HD22 ASN 41 3.906 5.691 9.243 219 H ALA 42 HN ALA 42 7.144 0.451 7.352 220 HA ALA 42 HA ALA 42 6.023 -1.185 5.352 221 HB1 ALA 42 HB1 ALA 42 7.655 -2.839 6.019 222 HB2 ALA 42 HB2 ALA 42 7.937 -1.991 7.538 223 HB3 ALA 42 HB3 ALA 42 8.398 -1.240 6.010 224 H SER 43 HN SER 43 5.559 -1.022 8.807 225 HA SER 43 HA SER 43 4.276 -3.500 9.178 226 HB2 SER 43 HB2 SER 43 3.285 -2.289 11.211 227 HB3 SER 43 HB1 SER 43 5.044 -2.389 11.118 228 HG SER 43 HG SER 43 3.853 -0.248 11.549 229 H LEU 44 HN LEU 44 3.098 -0.332 8.181 230 HA LEU 44 HA LEU 44 0.343 -1.002 8.202 231 HB2 LEU 44 HB2 LEU 44 1.876 1.074 6.634 232 HB3 LEU 44 HB1 LEU 44 0.133 0.917 6.571 233 HG LEU 44 HG LEU 44 1.797 1.681 8.972 234 HD11 LEU 44 HD11 LEU 44 -0.292 3.197 7.410 235 HD12 LEU 44 HD12 LEU 44 1.450 3.461 7.325 236 HD13 LEU 44 HD13 LEU 44 0.581 3.785 8.825 237 HD21 LEU 44 HD21 LEU 44 -1.173 1.202 8.765 238 HD22 LEU 44 HD22 LEU 44 -0.358 1.946 10.139 239 HD23 LEU 44 HD23 LEU 44 -0.020 0.269 9.718 240 H VAL 45 HN VAL 45 2.833 -1.051 5.688 241 HA VAL 45 HA VAL 45 1.185 -1.974 3.598 242 HB VAL 45 HB VAL 45 4.138 -2.528 3.894 243 HG11 VAL 45 HG11 VAL 45 3.065 -3.747 2.087 244 HG12 VAL 45 HG12 VAL 45 4.130 -2.493 1.448 245 HG13 VAL 45 HG13 VAL 45 2.384 -2.243 1.461 246 HG21 VAL 45 HG21 VAL 45 4.553 -0.421 2.791 247 HG22 VAL 45 HG22 VAL 45 3.640 -0.144 4.274 248 HG23 VAL 45 HG23 VAL 45 2.824 -0.090 2.711 249 H ALA 46 HN ALA 46 2.899 -3.619 6.180 250 HA ALA 46 HA ALA 46 2.771 -6.251 5.180 251 HB1 ALA 46 HB1 ALA 46 4.238 -5.571 7.023 252 HB2 ALA 46 HB2 ALA 46 3.239 -6.958 7.454 253 HB3 ALA 46 HB3 ALA 46 2.827 -5.353 8.057 254 H GLU 47 HN GLU 47 0.423 -4.268 6.828 255 HA GLU 47 HA GLU 47 -1.406 -6.225 7.637 256 HB2 GLU 47 HB2 GLU 47 -1.774 -3.355 6.809 257 HB3 GLU 47 HB1 GLU 47 -3.119 -4.357 7.337 258 HG2 GLU 47 HG2 GLU 47 -0.663 -3.703 8.951 259 HG3 GLU 47 HG1 GLU 47 -2.261 -2.984 9.153 260 H ALA 48 HN ALA 48 -0.685 -4.920 4.524 261 HA ALA 48 HA ALA 48 -2.986 -5.509 3.078 262 HB1 ALA 48 HB1 ALA 48 -0.172 -5.771 2.072 263 HB2 ALA 48 HB2 ALA 48 -1.009 -4.236 2.267 264 HB3 ALA 48 HB3 ALA 48 -1.621 -5.435 1.125 265 H ALA 49 HN ALA 49 -0.513 -7.634 4.294 266 HA ALA 49 HA ALA 49 -1.008 -9.850 2.634 267 HB1 ALA 49 HB1 ALA 49 0.969 -9.694 4.057 268 HB2 ALA 49 HB2 ALA 49 0.069 -11.176 4.387 269 HB3 ALA 49 HB3 ALA 49 -0.048 -9.807 5.493 270 H SER 50 HN SER 50 -2.587 -8.627 5.514 271 HA SER 50 HA SER 50 -4.258 -10.893 5.948 272 HB2 SER 50 HB2 SER 50 -4.742 -8.027 6.796 273 HB3 SER 50 HB1 SER 50 -5.443 -9.479 7.513 274 HG SER 50 HG SER 50 -3.004 -10.004 7.750 275 H ARG 51 HN ARG 51 -4.512 -7.938 4.054 276 HA ARG 51 HA ARG 51 -7.223 -8.408 3.239 277 HB2 ARG 51 HB2 ARG 51 -5.077 -6.485 2.512 278 HB3 ARG 51 HB1 ARG 51 -6.336 -6.764 1.321 279 HG2 ARG 51 HG2 ARG 51 -6.849 -4.827 2.674 280 HG3 ARG 51 HG1 ARG 51 -8.031 -6.100 2.951 281 HD2 ARG 51 HD2 ARG 51 -5.679 -5.923 4.766 282 HD3 ARG 51 HD1 ARG 51 -6.973 -4.737 4.941 283 HE ARG 51 HE ARG 51 -7.940 -7.436 4.844 284 HH11 ARG 51 HH11 ARG 51 -6.546 -5.013 6.950 285 HH12 ARG 51 HH12 ARG 51 -7.285 -5.643 8.384 286 HH21 ARG 51 HH21 ARG 51 -8.911 -8.273 6.731 287 HH22 ARG 51 HH22 ARG 51 -8.636 -7.498 8.258 288 H GLY 52 HN GLY 52 -4.071 -9.381 2.155 289 HA2 GLY 52 HA2 GLY 52 -3.831 -11.486 1.088 290 HA3 GLY 52 HA1 GLY 52 -5.424 -11.282 0.384 291 H HIS 53 HN HIS 53 -3.026 -8.700 0.256 292 HA HIS 53 HA HIS 53 -2.159 -9.536 -2.371 293 HB2 HIS 53 HB2 HIS 53 -3.015 -7.704 -3.608 294 HB3 HIS 53 HB1 HIS 53 -4.362 -8.342 -2.678 295 HD1 HIS 53 HD1 HIS 53 -5.363 -6.839 -0.851 296 HD2 HIS 53 HD2 HIS 53 -2.182 -5.120 -2.904 297 HE1 HIS 53 HE1 HIS 53 -5.388 -4.411 -0.211 298 HE2 HIS 53 HE2 HIS 53 -3.362 -3.425 -1.338 299 H ILE 54 HN ILE 54 -0.108 -9.048 -2.620 300 HA ILE 54 HA ILE 54 0.953 -6.460 -2.050 301 HB ILE 54 HB ILE 54 2.942 -7.685 -0.750 302 HG12 ILE 54 HG12 ILE 54 0.456 -9.090 0.248 303 HG13 ILE 54 HG11 ILE 54 1.785 -9.847 -0.624 304 HG21 ILE 54 HG21 ILE 54 2.020 -5.646 0.000 305 HG22 ILE 54 HG22 ILE 54 1.958 -6.771 1.359 306 HG23 ILE 54 HG23 ILE 54 0.497 -6.420 0.434 307 HD11 ILE 54 HD11 ILE 54 1.929 -8.572 2.096 308 HD12 ILE 54 HD12 ILE 54 3.294 -9.265 1.221 309 HD13 ILE 54 HD13 ILE 54 1.962 -10.300 1.737 310 H SER 55 HN SER 55 3.195 -6.267 -2.769 311 HA SER 55 HA SER 55 4.241 -8.487 -4.305 312 HB2 SER 55 HB2 SER 55 2.732 -7.187 -5.839 313 HB3 SER 55 HB1 SER 55 3.771 -5.788 -5.582 314 HG SER 55 HG SER 55 4.271 -8.145 -7.003 315 H CYS 56 HN CYS 56 6.366 -8.619 -3.835 316 HA CYS 56 HA CYS 56 7.644 -6.201 -2.749 317 HB2 CYS 56 HB2 CYS 56 7.373 -8.110 -1.178 318 HB3 CYS 56 HB1 CYS 56 8.378 -9.089 -2.240 319 HG CYS 56 HG CYS 56 9.271 -6.625 -0.110 320 H ALA 57 HN ALA 57 9.168 -5.302 -3.937 321 HA ALA 57 HA ALA 57 10.566 -6.766 -5.999 322 HB1 ALA 57 HB1 ALA 57 10.017 -4.408 -6.341 323 HB2 ALA 57 HB2 ALA 57 11.763 -4.660 -6.375 324 HB3 ALA 57 HB3 ALA 57 11.001 -3.972 -4.943 325 H THR 58 HN THR 58 11.480 -5.028 -3.069 326 HA THR 58 HA THR 58 13.189 -7.110 -2.116 327 HB THR 58 HB THR 58 14.611 -4.492 -2.591 328 HG1 THR 58 HG1 THR 58 14.072 -6.500 -4.466 329 HG21 THR 58 HG21 THR 58 15.813 -5.871 -1.109 330 HG22 THR 58 HG22 THR 58 16.586 -6.127 -2.671 331 HG23 THR 58 HG23 THR 58 15.457 -7.324 -2.040 332 H THR 59 HN THR 59 14.406 -5.947 -0.057 333 HA THR 59 HA THR 59 13.090 -3.605 0.953 334 HB THR 59 HB THR 59 12.830 -6.022 2.745 335 HG1 THR 59 HG1 THR 59 11.189 -5.229 0.634 336 HG21 THR 59 HG21 THR 59 11.475 -3.316 2.720 337 HG22 THR 59 HG22 THR 59 12.772 -3.812 3.805 338 HG23 THR 59 HG23 THR 59 11.195 -4.596 3.901 339 H SER 60 HN SER 60 15.617 -5.758 0.753 340 HA SER 60 HA SER 60 16.935 -5.609 3.182 341 HB2 SER 60 HB2 SER 60 17.464 -7.090 1.186 342 HB3 SER 60 HB1 SER 60 18.308 -5.706 0.497 343 HG SER 60 HG SER 60 19.938 -6.200 1.705 344 H GLY 61 HN GLY 61 16.942 -3.372 0.471 345 HA2 GLY 61 HA2 GLY 61 18.337 -1.445 2.208 346 HA3 GLY 61 HA1 GLY 61 18.754 -1.612 0.509 347 H ARG 62 HN ARG 62 18.156 0.819 1.020 348 HA ARG 62 HA ARG 62 15.321 1.355 0.914 349 HB2 ARG 62 HB2 ARG 62 15.999 3.724 0.755 350 HB3 ARG 62 HB1 ARG 62 16.730 2.902 2.125 351 HG2 ARG 62 HG2 ARG 62 18.818 2.686 0.882 352 HG3 ARG 62 HG1 ARG 62 18.082 3.509 -0.495 353 HD2 ARG 62 HD2 ARG 62 19.447 5.039 0.835 354 HD3 ARG 62 HD1 ARG 62 17.749 5.505 0.858 355 HE ARG 62 HE ARG 62 17.864 4.108 3.090 356 HH11 ARG 62 HH11 ARG 62 20.140 6.442 1.832 357 HH12 ARG 62 HH12 ARG 62 20.699 6.933 3.400 358 HH21 ARG 62 HH21 ARG 62 18.577 4.769 5.162 359 HH22 ARG 62 HH22 ARG 62 19.796 5.997 5.294 360 H ASN 63 HN ASN 63 17.785 0.670 -1.306 361 HA ASN 63 HA ASN 63 16.255 1.823 -3.533 362 HB2 ASN 63 HB2 ASN 63 19.085 0.763 -3.405 363 HB3 ASN 63 HB1 ASN 63 18.301 1.301 -4.887 364 HD21 ASN 63 HD21 ASN 63 17.846 3.507 -5.158 365 HD22 ASN 63 HD22 ASN 63 18.629 4.718 -4.204 366 H GLY 64 HN GLY 64 14.838 0.481 -4.411 367 HA2 GLY 64 HA2 GLY 64 14.291 -1.450 -5.676 368 HA3 GLY 64 HA1 GLY 64 15.632 -2.301 -4.917 369 H GLY 65 HN GLY 65 14.768 -1.188 -2.282 370 HA2 GLY 65 HA2 GLY 65 13.234 -3.557 -1.696 371 HA3 GLY 65 HA1 GLY 65 13.979 -2.489 -0.528 372 H ALA 66 HN ALA 66 11.511 -2.133 -3.060 373 HA ALA 66 HA ALA 66 9.795 -0.890 -1.013 374 HB1 ALA 66 HB1 ALA 66 10.400 0.681 -2.766 375 HB2 ALA 66 HB2 ALA 66 8.681 0.294 -2.856 376 HB3 ALA 66 HB3 ALA 66 9.811 -0.438 -3.995 377 H TRP 67 HN TRP 67 7.659 -1.514 -0.888 378 HA TRP 67 HA TRP 67 6.943 -3.949 -2.364 379 HB2 TRP 67 HB2 TRP 67 5.759 -2.617 0.073 380 HB3 TRP 67 HB1 TRP 67 4.903 -3.878 -0.803 381 HD1 TRP 67 HD1 TRP 67 8.176 -3.399 1.218 382 HE1 TRP 67 HE1 TRP 67 8.810 -5.657 2.270 383 HE3 TRP 67 HE3 TRP 67 4.572 -6.355 -0.932 384 HZ2 TRP 67 HZ2 TRP 67 7.908 -8.319 2.211 385 HZ3 TRP 67 HZ3 TRP 67 4.542 -8.744 -0.366 386 HH2 TRP 67 HH2 TRP 67 6.170 -9.705 1.167 387 H GLU 68 HN GLU 68 5.485 -3.889 -3.960 388 HA GLU 68 HA GLU 68 4.109 -1.326 -4.399 389 HB2 GLU 68 HB2 GLU 68 4.131 -1.762 -6.758 390 HB3 GLU 68 HB1 GLU 68 5.768 -1.985 -6.158 391 HG2 GLU 68 HG2 GLU 68 5.446 -4.400 -6.168 392 HG3 GLU 68 HG1 GLU 68 3.798 -4.173 -6.755 393 H ILE 69 HN ILE 69 2.021 -1.639 -5.663 394 HA ILE 69 HA ILE 69 0.529 -3.716 -4.227 395 HB ILE 69 HB ILE 69 -0.148 -1.387 -3.820 396 HG12 ILE 69 HG12 ILE 69 -2.149 -3.084 -5.323 397 HG13 ILE 69 HG11 ILE 69 -1.825 -3.120 -3.594 398 HG21 ILE 69 HG21 ILE 69 -0.814 -1.340 -6.756 399 HG22 ILE 69 HG22 ILE 69 0.469 -0.428 -5.961 400 HG23 ILE 69 HG23 ILE 69 -1.220 -0.080 -5.590 401 HD11 ILE 69 HD11 ILE 69 -2.692 -0.830 -3.412 402 HD12 ILE 69 HD12 ILE 69 -3.888 -1.970 -4.030 403 HD13 ILE 69 HD13 ILE 69 -3.075 -0.861 -5.135 404 H THR 70 HN THR 70 -0.929 -5.042 -5.289 405 HA THR 70 HA THR 70 -0.542 -5.402 -8.122 406 HB THR 70 HB THR 70 -2.225 -7.259 -7.784 407 HG1 THR 70 HG1 THR 70 -2.851 -7.720 -5.678 408 HG21 THR 70 HG21 THR 70 -0.684 -8.703 -6.553 409 HG22 THR 70 HG22 THR 70 0.170 -7.290 -5.930 410 HG23 THR 70 HG23 THR 70 0.209 -7.653 -7.654 411 H ALA 71 HN ALA 71 -2.462 -5.430 -9.610 412 HA ALA 71 HA ALA 71 -3.619 -2.882 -9.524 413 HB1 ALA 71 HB1 ALA 71 -4.860 -3.534 -11.502 414 HB2 ALA 71 HB2 ALA 71 -4.486 -5.230 -11.200 415 HB3 ALA 71 HB3 ALA 71 -3.193 -4.100 -11.602 416 H SER 72 HN SER 72 -4.989 -6.044 -8.783 417 HA SER 72 HA SER 72 -7.655 -5.182 -8.480 418 HB2 SER 72 HB2 SER 72 -7.835 -7.419 -7.219 419 HB3 SER 72 HB1 SER 72 -7.345 -7.471 -8.909 420 HG SER 72 HG SER 72 -6.072 -8.522 -6.915 421 H GLY 73 HN GLY 73 -4.929 -4.947 -6.358 422 HA2 GLY 73 HA2 GLY 73 -6.209 -5.353 -3.878 423 HA3 GLY 73 HA1 GLY 73 -4.704 -4.482 -4.123 424 H THR 74 HN THR 74 -5.948 -2.634 -5.972 425 HA THR 74 HA THR 74 -6.467 -0.516 -4.267 426 HB THR 74 HB THR 74 -7.393 -0.795 -7.126 427 HG1 THR 74 HG1 THR 74 -5.358 -0.990 -7.579 428 HG21 THR 74 HG21 THR 74 -8.217 1.234 -6.188 429 HG22 THR 74 HG22 THR 74 -6.812 1.653 -7.173 430 HG23 THR 74 HG23 THR 74 -6.670 1.576 -5.418 431 H ARG 75 HN ARG 75 -8.725 -2.789 -5.776 432 HA ARG 75 HA ARG 75 -10.966 -1.029 -5.464 433 HB2 ARG 75 HB2 ARG 75 -10.956 -3.964 -6.158 434 HB3 ARG 75 HB1 ARG 75 -12.283 -2.837 -6.399 435 HG2 ARG 75 HG2 ARG 75 -10.821 -1.555 -7.951 436 HG3 ARG 75 HG1 ARG 75 -9.622 -2.842 -7.799 437 HD2 ARG 75 HD2 ARG 75 -10.941 -3.198 -9.789 438 HD3 ARG 75 HD1 ARG 75 -11.302 -4.456 -8.608 439 HE ARG 75 HE ARG 75 -13.146 -2.394 -8.254 440 HH11 ARG 75 HH11 ARG 75 -12.312 -4.789 -10.665 441 HH12 ARG 75 HH12 ARG 75 -13.916 -4.861 -11.325 442 HH21 ARG 75 HH21 ARG 75 -15.248 -2.495 -9.106 443 HH22 ARG 75 HH22 ARG 75 -15.590 -3.565 -10.429 444 H PHE 76 HN PHE 76 -10.203 -4.213 -3.995 445 HA PHE 76 HA PHE 76 -12.516 -4.046 -2.333 446 HB2 PHE 76 HB2 PHE 76 -11.315 -6.073 -1.172 447 HB3 PHE 76 HB1 PHE 76 -12.103 -6.229 -2.725 448 HD1 PHE 76 HD1 PHE 76 -8.779 -5.742 -1.147 449 HD2 PHE 76 HD2 PHE 76 -10.964 -7.034 -4.560 450 HE1 PHE 76 HE1 PHE 76 -6.722 -6.701 -2.099 451 HE2 PHE 76 HE2 PHE 76 -8.914 -7.987 -5.521 452 HZ PHE 76 HZ PHE 76 -6.789 -7.824 -4.294 453 H LEU 77 HN LEU 77 -9.122 -3.475 -1.796 454 HA LEU 77 HA LEU 77 -9.353 -3.342 1.018 455 HB2 LEU 77 HB2 LEU 77 -7.171 -3.576 0.807 456 HB3 LEU 77 HB1 LEU 77 -7.261 -3.217 -0.906 457 HG LEU 77 HG LEU 77 -7.356 -0.858 0.839 458 HD11 LEU 77 HD11 LEU 77 -4.916 -0.930 1.238 459 HD12 LEU 77 HD12 LEU 77 -4.903 -2.601 0.676 460 HD13 LEU 77 HD13 LEU 77 -5.799 -2.165 2.132 461 HD21 LEU 77 HD21 LEU 77 -7.213 -0.663 -1.570 462 HD22 LEU 77 HD22 LEU 77 -5.739 -1.633 -1.585 463 HD23 LEU 77 HD23 LEU 77 -5.738 -0.041 -0.827 464 H LYS 78 HN LYS 78 -9.238 -0.758 -1.462 465 HA LYS 78 HA LYS 78 -9.212 1.312 0.500 466 HB2 LYS 78 HB2 LYS 78 -8.282 1.624 -1.779 467 HB3 LYS 78 HB1 LYS 78 -9.916 1.550 -2.429 468 HG2 LYS 78 HG2 LYS 78 -10.497 3.536 -1.049 469 HG3 LYS 78 HG1 LYS 78 -8.807 3.639 -0.551 470 HD2 LYS 78 HD2 LYS 78 -9.277 5.193 -2.365 471 HD3 LYS 78 HD1 LYS 78 -8.140 3.949 -2.885 472 HE2 LYS 78 HE2 LYS 78 -9.913 2.760 -4.032 473 HE3 LYS 78 HE1 LYS 78 -11.108 3.906 -3.431 474 HZ1 LYS 78 HZ1 LYS 78 -10.049 5.647 -4.705 475 HZ2 LYS 78 HZ2 LYS 78 -10.467 4.365 -5.723 476 HZ3 LYS 78 HZ3 LYS 78 -8.860 4.578 -5.251 477 H ARG 79 HN ARG 79 -11.726 -0.462 -1.097 478 HA ARG 79 HA ARG 79 -13.820 1.396 -0.868 479 HB2 ARG 79 HB2 ARG 79 -15.322 -0.387 -1.305 480 HB3 ARG 79 HB1 ARG 79 -13.861 -0.728 -2.217 481 HG2 ARG 79 HG2 ARG 79 -13.160 -2.323 -0.521 482 HG3 ARG 79 HG1 ARG 79 -14.612 -1.970 0.416 483 HD2 ARG 79 HD2 ARG 79 -14.577 -3.094 -2.381 484 HD3 ARG 79 HD1 ARG 79 -14.807 -4.040 -0.914 485 HE ARG 79 HE ARG 79 -16.668 -1.933 -1.814 486 HH11 ARG 79 HH11 ARG 79 -16.042 -5.056 -0.348 487 HH12 ARG 79 HH12 ARG 79 -17.720 -5.409 -0.089 488 HH21 ARG 79 HH21 ARG 79 -18.874 -2.403 -1.481 489 HH22 ARG 79 HH22 ARG 79 -19.329 -3.900 -0.729 490 H MET 80 HN MET 80 -12.198 -0.391 1.549 491 HA MET 80 HA MET 80 -14.357 -0.442 3.443 492 HB2 MET 80 HB2 MET 80 -11.394 -0.919 3.735 493 HB3 MET 80 HB1 MET 80 -12.516 -1.007 5.088 494 HG2 MET 80 HG2 MET 80 -13.780 -2.749 3.841 495 HG3 MET 80 HG1 MET 80 -12.515 -2.723 2.616 496 HE1 MET 80 HE1 MET 80 -9.874 -2.365 4.310 497 HE2 MET 80 HE2 MET 80 -10.051 -3.538 3.005 498 HE3 MET 80 HE3 MET 80 -9.414 -4.048 4.569 499 H GLY 81 HN GLY 81 -13.451 2.109 2.168 500 HA2 GLY 81 HA2 GLY 81 -14.233 4.154 3.197 501 HA3 GLY 81 HA1 GLY 81 -13.372 3.677 4.653 502 H GLY 82 HN GLY 82 -10.935 2.872 3.437 503 HA2 GLY 82 HA2 GLY 82 -8.929 3.772 2.755 504 HA3 GLY 82 HA1 GLY 82 -9.865 4.833 1.715 505 H CYS 83 HN CYS 83 -8.189 4.516 4.730 506 HA CYS 83 HA CYS 83 -7.452 5.998 6.263 507 HB2 CYS 83 HB2 CYS 83 -6.813 7.284 4.199 508 HB3 CYS 83 HB1 CYS 83 -8.324 8.170 4.352 509 HG CYS 83 HG CYS 83 -5.833 8.172 6.717 510 H VAL 84 HN VAL 84 -10.341 5.168 6.049 511 HA VAL 84 HA VAL 84 -11.559 7.303 7.654 512 HB VAL 84 HB VAL 84 -12.827 4.852 6.411 513 HG11 VAL 84 HG11 VAL 84 -14.966 5.834 7.098 514 HG12 VAL 84 HG12 VAL 84 -14.098 7.112 7.950 515 HG13 VAL 84 HG13 VAL 84 -13.951 5.438 8.484 516 HG21 VAL 84 HG21 VAL 84 -13.945 6.426 4.931 517 HG22 VAL 84 HG22 VAL 84 -12.193 6.570 4.786 518 HG23 VAL 84 HG23 VAL 84 -13.104 7.770 5.706 Start of MODEL 8 1 H1 MET 16 HT1 MET 16 -4.908 0.790 10.547 2 H2 MET 16 HT2 MET 16 -5.037 -0.762 11.201 3 H3 MET 16 HT3 MET 16 -6.403 0.227 11.103 4 HA MET 16 HA MET 16 -4.889 -0.946 8.847 5 HB2 MET 16 HB2 MET 16 -6.859 -2.249 8.417 6 HB3 MET 16 HB1 MET 16 -6.416 -2.474 10.100 7 HG2 MET 16 HG2 MET 16 -8.605 -0.675 9.080 8 HG3 MET 16 HG1 MET 16 -8.826 -2.260 9.816 9 HE1 MET 16 HE1 MET 16 -10.244 0.099 12.580 10 HE2 MET 16 HE2 MET 16 -10.547 -1.310 11.564 11 HE3 MET 16 HE3 MET 16 -10.404 0.288 10.835 12 H SER 17 HN SER 17 -6.853 1.686 9.894 13 HA SER 17 HA SER 17 -8.355 2.034 7.511 14 HB2 SER 17 HB2 SER 17 -8.777 4.342 8.495 15 HB3 SER 17 HB1 SER 17 -9.243 2.971 9.503 16 HG SER 17 HG SER 17 -7.675 4.937 10.178 17 H ASP 18 HN ASP 18 -5.475 3.729 8.767 18 HA ASP 18 HA ASP 18 -5.278 5.411 6.467 19 HB2 ASP 18 HB2 ASP 18 -3.434 4.838 8.758 20 HB3 ASP 18 HB1 ASP 18 -2.955 5.896 7.436 21 H TYR 19 HN TYR 19 -3.861 2.369 7.425 22 HA TYR 19 HA TYR 19 -1.842 2.058 5.561 23 HB2 TYR 19 HB2 TYR 19 -1.783 0.145 6.769 24 HB3 TYR 19 HB1 TYR 19 -3.478 0.300 7.218 25 HD1 TYR 19 HD1 TYR 19 -5.125 -1.107 6.211 26 HD2 TYR 19 HD2 TYR 19 -1.223 -0.876 4.523 27 HE1 TYR 19 HE1 TYR 19 -5.635 -3.020 4.777 28 HE2 TYR 19 HE2 TYR 19 -1.736 -2.790 3.077 29 HH TYR 19 HH TYR 19 -3.248 -4.711 3.069 30 H LEU 20 HN LEU 20 -5.310 1.852 5.139 31 HA LEU 20 HA LEU 20 -5.500 0.225 2.944 32 HB2 LEU 20 HB2 LEU 20 -7.200 2.642 3.539 33 HB3 LEU 20 HB1 LEU 20 -7.632 1.335 2.448 34 HG LEU 20 HG LEU 20 -7.158 0.988 5.412 35 HD11 LEU 20 HD11 LEU 20 -9.114 2.379 4.994 36 HD12 LEU 20 HD12 LEU 20 -9.573 0.789 5.604 37 HD13 LEU 20 HD13 LEU 20 -9.749 1.159 3.889 38 HD21 LEU 20 HD21 LEU 20 -8.236 -1.184 5.065 39 HD22 LEU 20 HD22 LEU 20 -6.749 -1.035 4.129 40 HD23 LEU 20 HD23 LEU 20 -8.313 -0.865 3.332 41 H LYS 21 HN LYS 21 -5.221 3.791 2.856 42 HA LYS 21 HA LYS 21 -5.158 3.714 -0.021 43 HB2 LYS 21 HB2 LYS 21 -4.787 6.005 1.901 44 HB3 LYS 21 HB1 LYS 21 -4.826 6.169 0.151 45 HG2 LYS 21 HG2 LYS 21 -7.115 5.296 0.115 46 HG3 LYS 21 HG1 LYS 21 -7.071 5.128 1.873 47 HD2 LYS 21 HD2 LYS 21 -8.215 7.168 1.345 48 HD3 LYS 21 HD1 LYS 21 -6.648 7.576 2.041 49 HE2 LYS 21 HE2 LYS 21 -6.961 9.024 0.196 50 HE3 LYS 21 HE1 LYS 21 -5.787 7.813 -0.319 51 HZ1 LYS 21 HZ1 LYS 21 -7.427 8.209 -2.031 52 HZ2 LYS 21 HZ2 LYS 21 -8.684 7.821 -0.970 53 HZ3 LYS 21 HZ3 LYS 21 -7.581 6.632 -1.443 54 H VAL 22 HN VAL 22 -2.819 3.354 2.393 55 HA VAL 22 HA VAL 22 -0.590 4.715 1.480 56 HB VAL 22 HB VAL 22 -0.863 2.054 2.866 57 HG11 VAL 22 HG11 VAL 22 1.193 1.948 1.539 58 HG12 VAL 22 HG12 VAL 22 1.534 2.031 3.267 59 HG13 VAL 22 HG13 VAL 22 1.731 3.467 2.259 60 HG21 VAL 22 HG21 VAL 22 0.085 3.322 4.758 61 HG22 VAL 22 HG22 VAL 22 -1.431 4.008 4.170 62 HG23 VAL 22 HG23 VAL 22 0.104 4.768 3.749 63 H LEU 23 HN LEU 23 -1.269 1.278 0.704 64 HA LEU 23 HA LEU 23 0.769 1.266 -1.262 65 HB2 LEU 23 HB2 LEU 23 -0.748 -0.941 -1.860 66 HB3 LEU 23 HB1 LEU 23 0.663 -0.884 -0.833 67 HG LEU 23 HG LEU 23 -0.781 -0.667 1.144 68 HD11 LEU 23 HD11 LEU 23 -2.711 0.430 0.208 69 HD12 LEU 23 HD12 LEU 23 -3.200 -1.121 0.888 70 HD13 LEU 23 HD13 LEU 23 -3.018 -0.940 -0.856 71 HD21 LEU 23 HD21 LEU 23 -1.341 -2.966 -0.719 72 HD22 LEU 23 HD22 LEU 23 -1.749 -2.955 0.994 73 HD23 LEU 23 HD23 LEU 23 -0.063 -2.852 0.490 74 H GLN 24 HN GLN 24 -2.762 1.445 -1.539 75 HA GLN 24 HA GLN 24 -2.658 0.962 -4.349 76 HB2 GLN 24 HB2 GLN 24 -5.069 1.369 -4.317 77 HB3 GLN 24 HB1 GLN 24 -4.561 0.200 -3.112 78 HG2 GLN 24 HG2 GLN 24 -4.577 2.147 -1.473 79 HG3 GLN 24 HG1 GLN 24 -5.434 3.006 -2.736 80 HE21 GLN 24 HE21 GLN 24 -6.266 2.154 -0.070 81 HE22 GLN 24 HE22 GLN 24 -7.703 1.234 -0.326 82 H ALA 25 HN ALA 25 -2.765 3.849 -2.388 83 HA ALA 25 HA ALA 25 -3.779 5.640 -4.254 84 HB1 ALA 25 HB1 ALA 25 -2.631 7.400 -3.009 85 HB2 ALA 25 HB2 ALA 25 -1.703 6.175 -2.146 86 HB3 ALA 25 HB3 ALA 25 -3.455 6.262 -1.941 87 H ILE 26 HN ILE 26 -0.369 4.633 -3.801 88 HA ILE 26 HA ILE 26 0.832 6.439 -5.471 89 HB ILE 26 HB ILE 26 2.170 4.884 -4.182 90 HG12 ILE 26 HG12 ILE 26 2.691 4.558 -7.136 91 HG13 ILE 26 HG11 ILE 26 3.159 5.953 -6.171 92 HG21 ILE 26 HG21 ILE 26 2.500 2.552 -4.888 93 HG22 ILE 26 HG22 ILE 26 1.209 2.750 -6.074 94 HG23 ILE 26 HG23 ILE 26 0.850 2.870 -4.351 95 HD11 ILE 26 HD11 ILE 26 5.023 4.440 -6.567 96 HD12 ILE 26 HD12 ILE 26 4.138 3.142 -5.766 97 HD13 ILE 26 HD13 ILE 26 4.638 4.565 -4.852 98 H LYS 27 HN LYS 27 -0.739 3.394 -6.486 99 HA LYS 27 HA LYS 27 -0.020 3.815 -9.226 100 HB2 LYS 27 HB2 LYS 27 -0.824 1.726 -9.614 101 HB3 LYS 27 HB1 LYS 27 -0.606 1.594 -7.881 102 HG2 LYS 27 HG2 LYS 27 -2.952 1.973 -7.502 103 HG3 LYS 27 HG1 LYS 27 -3.213 2.285 -9.221 104 HD2 LYS 27 HD2 LYS 27 -2.190 -0.105 -9.509 105 HD3 LYS 27 HD1 LYS 27 -2.656 -0.293 -7.817 106 HE2 LYS 27 HE2 LYS 27 -4.427 -1.119 -9.213 107 HE3 LYS 27 HE1 LYS 27 -4.959 0.359 -8.418 108 HZ1 LYS 27 HZ1 LYS 27 -4.578 1.579 -10.431 109 HZ2 LYS 27 HZ2 LYS 27 -5.564 0.253 -10.781 110 HZ3 LYS 27 HZ3 LYS 27 -3.927 0.220 -11.197 111 H SER 28 HN SER 28 -2.625 4.803 -7.196 112 HA SER 28 HA SER 28 -4.472 5.099 -9.436 113 HB2 SER 28 HB2 SER 28 -5.332 4.014 -7.442 114 HB3 SER 28 HB1 SER 28 -4.864 5.393 -6.451 115 HG SER 28 HG SER 28 -6.855 5.298 -8.471 116 H CYS 29 HN CYS 29 -3.046 7.124 -6.866 117 HA CYS 29 HA CYS 29 -3.794 9.511 -8.376 118 HB2 CYS 29 HB2 CYS 29 -4.627 9.028 -5.509 119 HB3 CYS 29 HB1 CYS 29 -4.866 10.520 -6.408 120 HG CYS 29 HG CYS 29 -6.238 7.595 -7.508 121 HA PRO 30 HA PRO 30 0.213 10.779 -6.848 122 HB2 PRO 30 HB2 PRO 30 -0.595 13.524 -7.467 123 HB3 PRO 30 HB1 PRO 30 0.675 12.543 -8.197 124 HG2 PRO 30 HG2 PRO 30 -1.587 13.185 -9.518 125 HG3 PRO 30 HG1 PRO 30 -0.738 11.651 -9.777 126 HD2 PRO 30 HD2 PRO 30 -3.195 12.207 -8.159 127 HD3 PRO 30 HD1 PRO 30 -2.831 10.837 -9.230 128 H LYS 31 HN LYS 31 -1.516 10.339 -4.800 129 HA LYS 31 HA LYS 31 -0.663 12.327 -2.894 130 HB2 LYS 31 HB2 LYS 31 -2.867 13.202 -3.728 131 HB3 LYS 31 HB1 LYS 31 -3.617 11.714 -3.162 132 HG2 LYS 31 HG2 LYS 31 -2.899 12.241 -0.876 133 HG3 LYS 31 HG1 LYS 31 -2.204 13.752 -1.458 134 HD2 LYS 31 HD2 LYS 31 -4.430 14.454 -2.230 135 HD3 LYS 31 HD1 LYS 31 -5.109 12.959 -1.587 136 HE2 LYS 31 HE2 LYS 31 -3.719 15.111 0.001 137 HE3 LYS 31 HE1 LYS 31 -5.454 14.815 -0.044 138 HZ1 LYS 31 HZ1 LYS 31 -4.416 13.866 1.928 139 HZ2 LYS 31 HZ2 LYS 31 -3.411 12.911 0.961 140 HZ3 LYS 31 HZ3 LYS 31 -5.082 12.654 0.952 141 H THR 32 HN THR 32 0.268 11.042 -1.454 142 HA THR 32 HA THR 32 0.699 9.293 -0.058 143 HB THR 32 HB THR 32 -1.993 8.131 -0.814 144 HG1 THR 32 HG1 THR 32 -1.268 10.207 0.875 145 HG21 THR 32 HG21 THR 32 -1.775 6.899 1.292 146 HG22 THR 32 HG22 THR 32 -0.186 7.621 1.555 147 HG23 THR 32 HG23 THR 32 -0.443 6.521 0.199 148 H PHE 33 HN PHE 33 1.817 7.373 -0.369 149 HA PHE 33 HA PHE 33 1.625 6.044 -2.923 150 HB2 PHE 33 HB2 PHE 33 3.904 6.540 -3.607 151 HB3 PHE 33 HB1 PHE 33 3.000 8.037 -3.420 152 HD1 PHE 33 HD1 PHE 33 6.003 6.401 -2.668 153 HD2 PHE 33 HD2 PHE 33 3.193 9.148 -1.040 154 HE1 PHE 33 HE1 PHE 33 7.731 7.254 -1.138 155 HE2 PHE 33 HE2 PHE 33 4.918 10.013 0.486 156 HZ PHE 33 HZ PHE 33 7.186 9.064 0.440 157 H GLN 34 HN GLN 34 3.660 4.464 -3.058 158 HA GLN 34 HA GLN 34 3.769 3.183 -0.418 159 HB2 GLN 34 HB2 GLN 34 2.201 2.098 -1.941 160 HB3 GLN 34 HB1 GLN 34 3.493 1.854 -3.101 161 HG2 GLN 34 HG2 GLN 34 4.653 0.403 -1.564 162 HG3 GLN 34 HG1 GLN 34 3.428 0.699 -0.330 163 HE21 GLN 34 HE21 GLN 34 3.047 -1.542 -0.239 164 HE22 GLN 34 HE22 GLN 34 2.110 -2.338 -1.450 165 H SER 35 HN SER 35 5.515 3.621 -3.477 166 HA SER 35 HA SER 35 7.438 1.762 -3.447 167 HB2 SER 35 HB2 SER 35 7.725 4.665 -4.169 168 HB3 SER 35 HB1 SER 35 8.944 3.451 -4.552 169 HG SER 35 HG SER 35 7.152 2.297 -5.618 170 H ASN 36 HN ASN 36 8.491 4.968 -2.246 171 HA ASN 36 HA ASN 36 10.511 3.620 -0.641 172 HB2 ASN 36 HB2 ASN 36 9.956 6.549 -1.152 173 HB3 ASN 36 HB1 ASN 36 11.230 5.977 -0.083 174 HD21 ASN 36 HD21 ASN 36 11.379 7.538 -2.548 175 HD22 ASN 36 HD22 ASN 36 12.417 6.647 -3.608 176 H TYR 37 HN TYR 37 7.397 4.483 -0.328 177 HA TYR 37 HA TYR 37 7.290 5.586 2.286 178 HB2 TYR 37 HB2 TYR 37 5.558 5.697 0.396 179 HB3 TYR 37 HB1 TYR 37 5.089 4.079 0.897 180 HD1 TYR 37 HD1 TYR 37 3.836 3.708 2.904 181 HD2 TYR 37 HD2 TYR 37 5.158 7.617 1.883 182 HE1 TYR 37 HE1 TYR 37 2.320 4.656 4.592 183 HE2 TYR 37 HE2 TYR 37 3.651 8.576 3.572 184 HH TYR 37 HH TYR 37 1.561 7.944 4.741 185 H VAL 38 HN VAL 38 7.131 2.326 0.961 186 HA VAL 38 HA VAL 38 6.286 0.918 3.218 187 HB VAL 38 HB VAL 38 8.268 -0.008 1.128 188 HG11 VAL 38 HG11 VAL 38 7.557 -2.274 1.761 189 HG12 VAL 38 HG12 VAL 38 6.581 -1.594 3.061 190 HG13 VAL 38 HG13 VAL 38 8.336 -1.427 3.097 191 HG21 VAL 38 HG21 VAL 38 5.278 -0.365 1.252 192 HG22 VAL 38 HG22 VAL 38 6.354 -1.008 0.015 193 HG23 VAL 38 HG23 VAL 38 6.137 0.732 0.174 194 H ARG 39 HN ARG 39 9.529 1.907 2.241 195 HA ARG 39 HA ARG 39 11.065 0.749 4.202 196 HB2 ARG 39 HB2 ARG 39 11.362 3.537 3.076 197 HB3 ARG 39 HB1 ARG 39 12.585 2.721 4.038 198 HG2 ARG 39 HG2 ARG 39 12.520 0.895 2.264 199 HG3 ARG 39 HG1 ARG 39 11.625 2.052 1.280 200 HD2 ARG 39 HD2 ARG 39 14.403 2.415 2.424 201 HD3 ARG 39 HD1 ARG 39 13.979 2.154 0.733 202 HE ARG 39 HE ARG 39 13.032 4.547 2.161 203 HH11 ARG 39 HH11 ARG 39 14.732 3.061 -0.517 204 HH12 ARG 39 HH12 ARG 39 15.080 4.569 -1.297 205 HH21 ARG 39 HH21 ARG 39 13.497 6.531 1.141 206 HH22 ARG 39 HH22 ARG 39 14.385 6.542 -0.353 207 H ASN 40 HN ASN 40 9.054 3.645 4.509 208 HA ASN 40 HA ASN 40 9.955 4.049 7.239 209 HB2 ASN 40 HB2 ASN 40 9.419 5.934 5.583 210 HB3 ASN 40 HB1 ASN 40 7.726 5.561 5.894 211 HD21 ASN 40 HD21 ASN 40 6.864 5.961 7.956 212 HD22 ASN 40 HD22 ASN 40 7.661 7.010 9.081 213 H ASN 41 HN ASN 41 6.870 3.298 5.599 214 HA ASN 41 HA ASN 41 5.720 2.674 8.241 215 HB2 ASN 41 HB2 ASN 41 4.293 3.305 5.645 216 HB3 ASN 41 HB1 ASN 41 3.509 2.941 7.175 217 HD21 ASN 41 HD21 ASN 41 2.467 4.877 7.357 218 HD22 ASN 41 HD22 ASN 41 3.279 6.374 7.626 219 H ALA 42 HN ALA 42 7.274 0.682 7.443 220 HA ALA 42 HA ALA 42 6.262 -1.174 5.613 221 HB1 ALA 42 HB1 ALA 42 7.968 -1.722 8.037 222 HB2 ALA 42 HB2 ALA 42 8.560 -1.212 6.456 223 HB3 ALA 42 HB3 ALA 42 7.770 -2.778 6.638 224 H SER 43 HN SER 43 5.579 -0.744 9.048 225 HA SER 43 HA SER 43 4.290 -3.244 9.400 226 HB2 SER 43 HB2 SER 43 3.966 -0.719 11.031 227 HB3 SER 43 HB1 SER 43 3.537 -2.354 11.535 228 HG SER 43 HG SER 43 5.544 -1.925 12.371 229 H LEU 44 HN LEU 44 3.170 -0.111 8.282 230 HA LEU 44 HA LEU 44 0.391 -0.736 8.406 231 HB2 LEU 44 HB2 LEU 44 1.928 1.232 6.716 232 HB3 LEU 44 HB1 LEU 44 0.188 1.065 6.637 233 HG LEU 44 HG LEU 44 1.799 1.978 9.020 234 HD11 LEU 44 HD11 LEU 44 1.475 3.590 7.151 235 HD12 LEU 44 HD12 LEU 44 0.734 4.092 8.669 236 HD13 LEU 44 HD13 LEU 44 -0.266 3.430 7.377 237 HD21 LEU 44 HD21 LEU 44 -0.074 0.643 9.782 238 HD22 LEU 44 HD22 LEU 44 -1.170 1.543 8.737 239 HD23 LEU 44 HD23 LEU 44 -0.385 2.350 10.093 240 H VAL 45 HN VAL 45 2.827 -0.876 5.859 241 HA VAL 45 HA VAL 45 1.195 -1.839 3.792 242 HB VAL 45 HB VAL 45 4.133 -2.424 4.178 243 HG11 VAL 45 HG11 VAL 45 4.208 -2.470 1.741 244 HG12 VAL 45 HG12 VAL 45 2.462 -2.219 1.684 245 HG13 VAL 45 HG13 VAL 45 3.118 -3.700 2.382 246 HG21 VAL 45 HG21 VAL 45 2.884 -0.024 2.854 247 HG22 VAL 45 HG22 VAL 45 4.607 -0.361 3.031 248 HG23 VAL 45 HG23 VAL 45 3.624 -0.024 4.453 249 H ALA 46 HN ALA 46 2.817 -3.477 6.431 250 HA ALA 46 HA ALA 46 2.700 -6.118 5.521 251 HB1 ALA 46 HB1 ALA 46 4.009 -5.448 7.454 252 HB2 ALA 46 HB2 ALA 46 2.897 -6.748 7.882 253 HB3 ALA 46 HB3 ALA 46 2.533 -5.087 8.351 254 H GLU 47 HN GLU 47 0.198 -4.071 6.806 255 HA GLU 47 HA GLU 47 -1.711 -5.977 7.568 256 HB2 GLU 47 HB2 GLU 47 -1.955 -3.184 6.481 257 HB3 GLU 47 HB1 GLU 47 -3.369 -4.139 6.898 258 HG2 GLU 47 HG2 GLU 47 -1.146 -3.499 8.816 259 HG3 GLU 47 HG1 GLU 47 -2.634 -2.564 8.667 260 H ALA 48 HN ALA 48 -0.647 -4.910 4.469 261 HA ALA 48 HA ALA 48 -2.868 -5.439 2.864 262 HB1 ALA 48 HB1 ALA 48 -1.352 -5.360 1.037 263 HB2 ALA 48 HB2 ALA 48 0.010 -5.777 2.078 264 HB3 ALA 48 HB3 ALA 48 -0.783 -4.208 2.251 265 H ALA 49 HN ALA 49 -0.481 -7.611 4.206 266 HA ALA 49 HA ALA 49 -0.927 -9.819 2.540 267 HB1 ALA 49 HB1 ALA 49 -0.152 -9.787 5.455 268 HB2 ALA 49 HB2 ALA 49 0.956 -9.690 4.087 269 HB3 ALA 49 HB3 ALA 49 0.015 -11.157 4.359 270 H SER 50 HN SER 50 -2.634 -8.607 5.363 271 HA SER 50 HA SER 50 -4.369 -10.850 5.654 272 HB2 SER 50 HB2 SER 50 -4.813 -8.005 6.585 273 HB3 SER 50 HB1 SER 50 -5.601 -9.455 7.204 274 HG SER 50 HG SER 50 -2.968 -9.811 7.345 275 H ARG 51 HN ARG 51 -4.370 -7.977 3.685 276 HA ARG 51 HA ARG 51 -7.127 -8.376 2.863 277 HB2 ARG 51 HB2 ARG 51 -5.032 -6.327 2.213 278 HB3 ARG 51 HB1 ARG 51 -6.479 -6.460 1.229 279 HG2 ARG 51 HG2 ARG 51 -6.944 -4.787 2.813 280 HG3 ARG 51 HG1 ARG 51 -7.797 -6.220 3.390 281 HD2 ARG 51 HD2 ARG 51 -5.717 -6.671 4.802 282 HD3 ARG 51 HD1 ARG 51 -5.244 -5.019 4.405 283 HE ARG 51 HE ARG 51 -7.851 -4.955 5.404 284 HH11 ARG 51 HH11 ARG 51 -4.623 -5.722 6.510 285 HH12 ARG 51 HH12 ARG 51 -4.922 -5.239 8.157 286 HH21 ARG 51 HH21 ARG 51 -8.275 -4.361 7.578 287 HH22 ARG 51 HH22 ARG 51 -7.012 -4.499 8.761 288 H GLY 52 HN GLY 52 -4.172 -9.670 2.090 289 HA2 GLY 52 HA2 GLY 52 -3.926 -11.567 0.801 290 HA3 GLY 52 HA1 GLY 52 -5.509 -11.268 0.108 291 H HIS 53 HN HIS 53 -2.968 -8.822 0.086 292 HA HIS 53 HA HIS 53 -2.176 -9.547 -2.588 293 HB2 HIS 53 HB2 HIS 53 -3.045 -7.653 -3.725 294 HB3 HIS 53 HB1 HIS 53 -4.371 -8.337 -2.792 295 HD1 HIS 53 HD1 HIS 53 -5.308 -6.948 -0.844 296 HD2 HIS 53 HD2 HIS 53 -2.211 -5.101 -2.915 297 HE1 HIS 53 HE1 HIS 53 -5.311 -4.555 -0.066 298 HE2 HIS 53 HE2 HIS 53 -3.332 -3.502 -1.212 299 H ILE 54 HN ILE 54 -0.111 -9.114 -2.802 300 HA ILE 54 HA ILE 54 0.977 -6.549 -2.253 301 HB ILE 54 HB ILE 54 2.956 -7.791 -0.933 302 HG12 ILE 54 HG12 ILE 54 0.439 -9.085 0.135 303 HG13 ILE 54 HG11 ILE 54 1.732 -9.914 -0.730 304 HG21 ILE 54 HG21 ILE 54 2.019 -5.689 -0.283 305 HG22 ILE 54 HG22 ILE 54 2.081 -6.750 1.124 306 HG23 ILE 54 HG23 ILE 54 0.550 -6.475 0.293 307 HD11 ILE 54 HD11 ILE 54 1.953 -10.297 1.631 308 HD12 ILE 54 HD12 ILE 54 1.935 -8.561 1.949 309 HD13 ILE 54 HD13 ILE 54 3.287 -9.283 1.074 310 H SER 55 HN SER 55 3.267 -6.447 -2.922 311 HA SER 55 HA SER 55 4.235 -8.662 -4.517 312 HB2 SER 55 HB2 SER 55 2.633 -7.203 -5.931 313 HB3 SER 55 HB1 SER 55 3.895 -5.974 -5.843 314 HG SER 55 HG SER 55 5.097 -7.084 -7.184 315 H CYS 56 HN CYS 56 6.492 -8.638 -4.535 316 HA CYS 56 HA CYS 56 7.648 -6.633 -2.781 317 HB2 CYS 56 HB2 CYS 56 8.160 -9.039 -2.457 318 HB3 CYS 56 HB1 CYS 56 8.953 -9.059 -4.028 319 HG CYS 56 HG CYS 56 10.977 -9.045 -2.172 320 H ALA 57 HN ALA 57 9.104 -5.111 -3.332 321 HA ALA 57 HA ALA 57 9.965 -5.006 -6.149 322 HB1 ALA 57 HB1 ALA 57 9.693 -2.580 -6.121 323 HB2 ALA 57 HB2 ALA 57 9.068 -2.664 -4.476 324 HB3 ALA 57 HB3 ALA 57 8.160 -3.395 -5.802 325 H THR 58 HN THR 58 11.085 -5.495 -3.184 326 HA THR 58 HA THR 58 13.059 -5.178 -2.081 327 HB THR 58 HB THR 58 13.984 -3.798 -4.617 328 HG1 THR 58 HG1 THR 58 14.891 -5.869 -5.083 329 HG21 THR 58 HG21 THR 58 16.249 -4.432 -3.803 330 HG22 THR 58 HG22 THR 58 15.518 -4.935 -2.279 331 HG23 THR 58 HG23 THR 58 15.440 -3.247 -2.782 332 H THR 59 HN THR 59 13.852 -3.595 -0.642 333 HA THR 59 HA THR 59 12.138 -1.340 -0.391 334 HB THR 59 HB THR 59 13.724 -0.681 1.495 335 HG1 THR 59 HG1 THR 59 14.840 -2.947 1.997 336 HG21 THR 59 HG21 THR 59 11.623 -1.831 1.918 337 HG22 THR 59 HG22 THR 59 12.883 -2.466 2.974 338 HG23 THR 59 HG23 THR 59 12.377 -3.384 1.557 339 H SER 60 HN SER 60 14.973 -1.848 -2.077 340 HA SER 60 HA SER 60 16.161 -0.560 -3.490 341 HB2 SER 60 HB2 SER 60 13.848 -0.146 -4.322 342 HB3 SER 60 HB1 SER 60 13.763 1.278 -3.283 343 HG SER 60 HG SER 60 15.695 2.008 -4.455 344 H GLY 61 HN GLY 61 16.709 -0.274 -0.732 345 HA2 GLY 61 HA2 GLY 61 18.547 1.657 -0.542 346 HA3 GLY 61 HA1 GLY 61 17.075 2.558 -0.221 347 H ARG 62 HN ARG 62 15.849 0.168 1.173 348 HA ARG 62 HA ARG 62 17.038 0.896 3.723 349 HB2 ARG 62 HB2 ARG 62 14.485 0.826 3.225 350 HB3 ARG 62 HB1 ARG 62 14.651 -0.893 3.528 351 HG2 ARG 62 HG2 ARG 62 15.591 -0.407 5.740 352 HG3 ARG 62 HG1 ARG 62 15.386 1.315 5.438 353 HD2 ARG 62 HD2 ARG 62 13.542 0.687 6.751 354 HD3 ARG 62 HD1 ARG 62 12.922 0.815 5.108 355 HE ARG 62 HE ARG 62 13.598 -1.811 5.360 356 HH11 ARG 62 HH11 ARG 62 11.520 0.379 7.143 357 HH12 ARG 62 HH12 ARG 62 10.483 -0.884 7.726 358 HH21 ARG 62 HH21 ARG 62 12.208 -3.470 6.103 359 HH22 ARG 62 HH22 ARG 62 10.865 -3.066 7.124 360 H ASN 63 HN ASN 63 17.447 -1.527 1.524 361 HA ASN 63 HA ASN 63 18.500 -3.534 1.515 362 HB2 ASN 63 HB2 ASN 63 20.089 -2.606 3.142 363 HB3 ASN 63 HB1 ASN 63 18.998 -3.024 4.460 364 HD21 ASN 63 HD21 ASN 63 20.438 -4.379 5.473 365 HD22 ASN 63 HD22 ASN 63 20.901 -5.911 4.817 366 H GLY 64 HN GLY 64 16.480 -4.465 1.025 367 HA2 GLY 64 HA2 GLY 64 15.669 -6.692 2.283 368 HA3 GLY 64 HA1 GLY 64 14.803 -5.451 3.177 369 H GLY 65 HN GLY 65 12.871 -6.566 2.369 370 HA2 GLY 65 HA2 GLY 65 12.370 -6.073 -0.491 371 HA3 GLY 65 HA1 GLY 65 11.565 -7.297 0.474 372 H ALA 66 HN ALA 66 11.342 -4.206 -0.816 373 HA ALA 66 HA ALA 66 9.221 -3.363 1.006 374 HB1 ALA 66 HB1 ALA 66 10.548 -2.036 -1.342 375 HB2 ALA 66 HB2 ALA 66 10.500 -1.512 0.345 376 HB3 ALA 66 HB3 ALA 66 9.051 -1.420 -0.649 377 H TRP 67 HN TRP 67 7.244 -2.437 -0.267 378 HA TRP 67 HA TRP 67 6.413 -4.651 -2.022 379 HB2 TRP 67 HB2 TRP 67 4.737 -3.275 0.078 380 HB3 TRP 67 HB1 TRP 67 4.201 -4.570 -0.985 381 HD1 TRP 67 HD1 TRP 67 6.089 -3.952 2.235 382 HE1 TRP 67 HE1 TRP 67 6.715 -6.205 3.312 383 HE3 TRP 67 HE3 TRP 67 4.837 -7.068 -1.618 384 HZ2 TRP 67 HZ2 TRP 67 6.681 -8.943 2.609 385 HZ3 TRP 67 HZ3 TRP 67 5.169 -9.484 -1.341 386 HH2 TRP 67 HH2 TRP 67 6.067 -10.400 0.726 387 H GLU 68 HN GLU 68 5.064 -4.241 -3.671 388 HA GLU 68 HA GLU 68 4.020 -1.513 -3.979 389 HB2 GLU 68 HB2 GLU 68 4.253 -1.642 -6.355 390 HB3 GLU 68 HB1 GLU 68 5.810 -2.081 -5.673 391 HG2 GLU 68 HG2 GLU 68 5.430 -4.391 -6.110 392 HG3 GLU 68 HG1 GLU 68 3.757 -4.076 -6.574 393 H ILE 69 HN ILE 69 1.984 -1.640 -5.457 394 HA ILE 69 HA ILE 69 0.417 -3.815 -4.285 395 HB ILE 69 HB ILE 69 -0.257 -1.510 -3.709 396 HG12 ILE 69 HG12 ILE 69 -2.258 -3.057 -5.373 397 HG13 ILE 69 HG11 ILE 69 -1.866 -3.370 -3.688 398 HG21 ILE 69 HG21 ILE 69 0.349 -0.401 -5.786 399 HG22 ILE 69 HG22 ILE 69 -1.346 -0.109 -5.402 400 HG23 ILE 69 HG23 ILE 69 -0.912 -1.284 -6.644 401 HD11 ILE 69 HD11 ILE 69 -2.719 -1.136 -3.116 402 HD12 ILE 69 HD12 ILE 69 -3.938 -2.194 -3.828 403 HD13 ILE 69 HD13 ILE 69 -3.196 -0.924 -4.801 404 H THR 70 HN THR 70 -0.871 -5.123 -5.448 405 HA THR 70 HA THR 70 -0.513 -5.255 -8.300 406 HB THR 70 HB THR 70 -2.056 -7.234 -8.084 407 HG1 THR 70 HG1 THR 70 -2.854 -7.774 -6.124 408 HG21 THR 70 HG21 THR 70 -0.452 -8.654 -6.915 409 HG22 THR 70 HG22 THR 70 0.298 -7.236 -6.183 410 HG23 THR 70 HG23 THR 70 0.397 -7.485 -7.927 411 H ALA 71 HN ALA 71 -2.440 -5.323 -9.767 412 HA ALA 71 HA ALA 71 -3.782 -2.901 -9.649 413 HB1 ALA 71 HB1 ALA 71 -4.588 -5.353 -11.202 414 HB2 ALA 71 HB2 ALA 71 -3.422 -4.137 -11.720 415 HB3 ALA 71 HB3 ALA 71 -5.120 -3.703 -11.521 416 H SER 72 HN SER 72 -4.931 -6.110 -8.735 417 HA SER 72 HA SER 72 -7.630 -5.469 -8.367 418 HB2 SER 72 HB2 SER 72 -7.649 -7.566 -6.966 419 HB3 SER 72 HB1 SER 72 -6.970 -7.759 -8.580 420 HG SER 72 HG SER 72 -5.071 -8.159 -7.744 421 H GLY 73 HN GLY 73 -4.882 -4.888 -6.332 422 HA2 GLY 73 HA2 GLY 73 -6.066 -5.073 -3.802 423 HA3 GLY 73 HA1 GLY 73 -4.647 -4.115 -4.191 424 H THR 74 HN THR 74 -5.699 -2.267 -5.925 425 HA THR 74 HA THR 74 -6.584 -0.271 -4.176 426 HB THR 74 HB THR 74 -6.842 -0.382 -7.193 427 HG1 THR 74 HG1 THR 74 -4.723 0.000 -5.433 428 HG21 THR 74 HG21 THR 74 -6.753 2.065 -7.069 429 HG22 THR 74 HG22 THR 74 -6.730 1.981 -5.308 430 HG23 THR 74 HG23 THR 74 -8.153 1.441 -6.198 431 H ARG 75 HN ARG 75 -8.437 -2.657 -5.950 432 HA ARG 75 HA ARG 75 -10.839 -1.098 -6.074 433 HB2 ARG 75 HB2 ARG 75 -10.505 -4.077 -6.421 434 HB3 ARG 75 HB1 ARG 75 -11.856 -3.096 -6.976 435 HG2 ARG 75 HG2 ARG 75 -10.496 -1.994 -8.584 436 HG3 ARG 75 HG1 ARG 75 -9.030 -2.725 -7.927 437 HD2 ARG 75 HD2 ARG 75 -9.950 -4.953 -8.542 438 HD3 ARG 75 HD1 ARG 75 -11.294 -4.129 -9.334 439 HE ARG 75 HE ARG 75 -9.377 -2.992 -10.642 440 HH11 ARG 75 HH11 ARG 75 -9.474 -6.330 -9.591 441 HH12 ARG 75 HH12 ARG 75 -8.398 -6.883 -10.837 442 HH21 ARG 75 HH21 ARG 75 -7.969 -3.724 -12.289 443 HH22 ARG 75 HH22 ARG 75 -7.557 -5.408 -12.373 444 H PHE 76 HN PHE 76 -10.063 -4.109 -4.275 445 HA PHE 76 HA PHE 76 -12.448 -3.813 -2.717 446 HB2 PHE 76 HB2 PHE 76 -11.406 -5.798 -1.411 447 HB3 PHE 76 HB1 PHE 76 -12.045 -6.028 -3.021 448 HD1 PHE 76 HD1 PHE 76 -8.850 -5.431 -1.208 449 HD2 PHE 76 HD2 PHE 76 -10.777 -7.054 -4.636 450 HE1 PHE 76 HE1 PHE 76 -6.740 -6.492 -1.891 451 HE2 PHE 76 HE2 PHE 76 -8.671 -8.111 -5.327 452 HZ PHE 76 HZ PHE 76 -6.646 -7.832 -3.957 453 H LEU 77 HN LEU 77 -9.044 -3.348 -2.064 454 HA LEU 77 HA LEU 77 -9.327 -3.315 0.741 455 HB2 LEU 77 HB2 LEU 77 -7.134 -3.514 0.618 456 HB3 LEU 77 HB1 LEU 77 -7.247 -3.288 -1.111 457 HG LEU 77 HG LEU 77 -7.281 -0.703 -0.125 458 HD11 LEU 77 HD11 LEU 77 -6.663 -1.442 2.074 459 HD12 LEU 77 HD12 LEU 77 -5.286 -0.639 1.314 460 HD13 LEU 77 HD13 LEU 77 -5.334 -2.398 1.418 461 HD21 LEU 77 HD21 LEU 77 -5.207 -0.480 -1.233 462 HD22 LEU 77 HD22 LEU 77 -6.104 -1.718 -2.119 463 HD23 LEU 77 HD23 LEU 77 -4.820 -2.189 -1.004 464 H LYS 78 HN LYS 78 -9.401 -0.674 -1.615 465 HA LYS 78 HA LYS 78 -9.263 1.392 0.336 466 HB2 LYS 78 HB2 LYS 78 -8.765 1.684 -2.119 467 HB3 LYS 78 HB1 LYS 78 -10.507 1.681 -2.394 468 HG2 LYS 78 HG2 LYS 78 -10.763 3.648 -1.006 469 HG3 LYS 78 HG1 LYS 78 -9.043 3.618 -0.600 470 HD2 LYS 78 HD2 LYS 78 -9.418 5.279 -2.292 471 HD3 LYS 78 HD1 LYS 78 -8.520 3.936 -2.995 472 HE2 LYS 78 HE2 LYS 78 -10.502 3.089 -4.054 473 HE3 LYS 78 HE1 LYS 78 -11.507 4.273 -3.222 474 HZ1 LYS 78 HZ1 LYS 78 -10.390 6.030 -4.434 475 HZ2 LYS 78 HZ2 LYS 78 -11.063 4.916 -5.511 476 HZ3 LYS 78 HZ3 LYS 78 -9.402 4.905 -5.219 477 H ARG 79 HN ARG 79 -11.924 -0.520 -0.850 478 HA ARG 79 HA ARG 79 -14.016 1.274 -0.233 479 HB2 ARG 79 HB2 ARG 79 -15.513 -0.506 -0.566 480 HB3 ARG 79 HB1 ARG 79 -14.161 -0.861 -1.631 481 HG2 ARG 79 HG2 ARG 79 -13.277 -2.400 0.102 482 HG3 ARG 79 HG1 ARG 79 -14.745 -2.115 1.039 483 HD2 ARG 79 HD2 ARG 79 -16.106 -3.089 -0.649 484 HD3 ARG 79 HD1 ARG 79 -14.765 -3.131 -1.794 485 HE ARG 79 HE ARG 79 -14.074 -4.633 0.477 486 HH11 ARG 79 HH11 ARG 79 -16.283 -4.757 -2.235 487 HH12 ARG 79 HH12 ARG 79 -16.309 -6.492 -2.296 488 HH21 ARG 79 HH21 ARG 79 -14.081 -6.905 0.389 489 HH22 ARG 79 HH22 ARG 79 -15.048 -7.718 -0.803 490 H MET 80 HN MET 80 -11.930 -0.466 1.779 491 HA MET 80 HA MET 80 -13.711 -0.879 3.984 492 HB2 MET 80 HB2 MET 80 -10.692 -0.912 3.892 493 HB3 MET 80 HB1 MET 80 -11.680 -1.484 5.228 494 HG2 MET 80 HG2 MET 80 -11.621 -2.614 2.445 495 HG3 MET 80 HG1 MET 80 -10.894 -3.333 3.881 496 HE1 MET 80 HE1 MET 80 -14.079 -4.209 6.017 497 HE2 MET 80 HE2 MET 80 -13.151 -2.712 6.081 498 HE3 MET 80 HE3 MET 80 -12.318 -4.261 5.948 499 H GLY 81 HN GLY 81 -13.304 1.883 2.847 500 HA2 GLY 81 HA2 GLY 81 -13.983 3.754 4.246 501 HA3 GLY 81 HA1 GLY 81 -12.822 3.197 5.439 502 H GLY 82 HN GLY 82 -10.679 2.706 3.595 503 HA2 GLY 82 HA2 GLY 82 -8.891 3.809 2.656 504 HA3 GLY 82 HA1 GLY 82 -10.091 4.836 1.891 505 H CYS 83 HN CYS 83 -8.135 4.414 4.813 506 HA CYS 83 HA CYS 83 -7.169 5.890 6.214 507 HB2 CYS 83 HB2 CYS 83 -6.721 7.311 4.242 508 HB3 CYS 83 HB1 CYS 83 -8.292 8.076 4.454 509 HG CYS 83 HG CYS 83 -5.978 8.163 6.960 510 H VAL 84 HN VAL 84 -10.463 6.706 5.247 511 HA VAL 84 HA VAL 84 -12.334 7.189 6.419 512 HB VAL 84 HB VAL 84 -10.894 6.081 8.838 513 HG11 VAL 84 HG11 VAL 84 -13.832 6.335 8.204 514 HG12 VAL 84 HG12 VAL 84 -12.934 7.300 9.374 515 HG13 VAL 84 HG13 VAL 84 -13.153 5.571 9.640 516 HG21 VAL 84 HG21 VAL 84 -11.912 3.930 8.277 517 HG22 VAL 84 HG22 VAL 84 -10.829 4.474 6.995 518 HG23 VAL 84 HG23 VAL 84 -12.575 4.626 6.798 Start of MODEL 9 1 H1 MET 16 HT1 MET 16 -7.719 0.544 10.401 2 H2 MET 16 HT2 MET 16 -6.110 1.056 10.389 3 H3 MET 16 HT3 MET 16 -6.481 -0.547 10.773 4 HA MET 16 HA MET 16 -5.622 -0.453 8.562 5 HB2 MET 16 HB2 MET 16 -7.419 -1.560 7.383 6 HB3 MET 16 HB1 MET 16 -7.427 -2.069 9.063 7 HG2 MET 16 HG2 MET 16 -9.298 -0.642 9.538 8 HG3 MET 16 HG1 MET 16 -9.247 0.031 7.910 9 HE1 MET 16 HE1 MET 16 -11.803 -0.478 7.474 10 HE2 MET 16 HE2 MET 16 -11.906 -1.041 9.142 11 HE3 MET 16 HE3 MET 16 -12.557 -2.031 7.835 12 H SER 17 HN SER 17 -7.752 2.127 9.347 13 HA SER 17 HA SER 17 -8.799 2.883 6.907 14 HB2 SER 17 HB2 SER 17 -7.915 4.724 9.135 15 HB3 SER 17 HB1 SER 17 -9.097 5.097 7.881 16 HG SER 17 HG SER 17 -10.116 4.450 9.808 17 H ASP 18 HN ASP 18 -5.734 4.057 8.343 18 HA ASP 18 HA ASP 18 -5.136 5.659 6.038 19 HB2 ASP 18 HB2 ASP 18 -3.496 4.863 8.445 20 HB3 ASP 18 HB1 ASP 18 -2.862 5.878 7.153 21 H TYR 19 HN TYR 19 -4.212 2.521 7.229 22 HA TYR 19 HA TYR 19 -2.050 1.957 5.565 23 HB2 TYR 19 HB2 TYR 19 -2.104 0.240 7.000 24 HB3 TYR 19 HB1 TYR 19 -3.780 0.556 7.400 25 HD1 TYR 19 HD1 TYR 19 -5.440 -0.943 6.763 26 HD2 TYR 19 HD2 TYR 19 -1.634 -1.186 4.894 27 HE1 TYR 19 HE1 TYR 19 -6.093 -3.070 5.740 28 HE2 TYR 19 HE2 TYR 19 -2.285 -3.309 3.852 29 HH TYR 19 HH TYR 19 -3.996 -5.206 4.516 30 H LEU 20 HN LEU 20 -5.498 1.756 4.944 31 HA LEU 20 HA LEU 20 -5.529 0.020 2.796 32 HB2 LEU 20 HB2 LEU 20 -7.267 2.460 3.135 33 HB3 LEU 20 HB1 LEU 20 -7.632 1.066 2.141 34 HG LEU 20 HG LEU 20 -7.428 1.075 5.157 35 HD11 LEU 20 HD11 LEU 20 -9.806 0.843 3.328 36 HD12 LEU 20 HD12 LEU 20 -9.429 2.187 4.406 37 HD13 LEU 20 HD13 LEU 20 -9.834 0.608 5.075 38 HD21 LEU 20 HD21 LEU 20 -8.190 -1.151 3.279 39 HD22 LEU 20 HD22 LEU 20 -8.260 -1.211 5.040 40 HD23 LEU 20 HD23 LEU 20 -6.704 -1.055 4.224 41 H LYS 21 HN LYS 21 -5.265 3.583 2.637 42 HA LYS 21 HA LYS 21 -4.956 3.408 -0.221 43 HB2 LYS 21 HB2 LYS 21 -5.004 5.736 1.677 44 HB3 LYS 21 HB1 LYS 21 -4.677 5.921 -0.041 45 HG2 LYS 21 HG2 LYS 21 -6.844 4.892 -0.554 46 HG3 LYS 21 HG1 LYS 21 -7.171 4.756 1.175 47 HD2 LYS 21 HD2 LYS 21 -8.286 6.711 0.324 48 HD3 LYS 21 HD1 LYS 21 -6.958 7.219 1.363 49 HE2 LYS 21 HE2 LYS 21 -5.573 7.548 -0.685 50 HE3 LYS 21 HE1 LYS 21 -7.003 7.195 -1.652 51 HZ1 LYS 21 HZ1 LYS 21 -8.111 9.084 -0.599 52 HZ2 LYS 21 HZ2 LYS 21 -6.709 9.564 -1.408 53 HZ3 LYS 21 HZ3 LYS 21 -6.708 9.431 0.277 54 H VAL 22 HN VAL 22 -2.808 3.152 2.333 55 HA VAL 22 HA VAL 22 -0.566 4.576 1.531 56 HB VAL 22 HB VAL 22 -0.882 1.957 2.974 57 HG11 VAL 22 HG11 VAL 22 1.749 3.310 2.379 58 HG12 VAL 22 HG12 VAL 22 1.216 1.758 1.731 59 HG13 VAL 22 HG13 VAL 22 1.507 1.937 3.463 60 HG21 VAL 22 HG21 VAL 22 0.043 4.719 3.744 61 HG22 VAL 22 HG22 VAL 22 0.091 3.322 4.821 62 HG23 VAL 22 HG23 VAL 22 -1.457 3.920 4.218 63 H LEU 23 HN LEU 23 -1.219 1.147 0.690 64 HA LEU 23 HA LEU 23 0.930 1.120 -1.180 65 HB2 LEU 23 HB2 LEU 23 -1.068 -0.963 -1.581 66 HB3 LEU 23 HB1 LEU 23 0.650 -1.090 -1.270 67 HG LEU 23 HG LEU 23 -0.077 -0.484 1.189 68 HD11 LEU 23 HD11 LEU 23 -2.229 -1.494 1.759 69 HD12 LEU 23 HD12 LEU 23 -2.552 -1.788 0.049 70 HD13 LEU 23 HD13 LEU 23 -2.442 -0.134 0.656 71 HD21 LEU 23 HD21 LEU 23 0.039 -2.784 1.682 72 HD22 LEU 23 HD22 LEU 23 1.021 -2.551 0.236 73 HD23 LEU 23 HD23 LEU 23 -0.601 -3.234 0.101 74 H GLN 24 HN GLN 24 -2.596 1.280 -1.571 75 HA GLN 24 HA GLN 24 -2.393 0.934 -4.395 76 HB2 GLN 24 HB2 GLN 24 -4.856 1.408 -4.365 77 HB3 GLN 24 HB1 GLN 24 -4.310 0.019 -3.438 78 HG2 GLN 24 HG2 GLN 24 -4.443 1.310 -1.387 79 HG3 GLN 24 HG1 GLN 24 -4.924 2.704 -2.321 80 HE21 GLN 24 HE21 GLN 24 -6.649 1.629 -4.075 81 HE22 GLN 24 HE22 GLN 24 -8.043 1.039 -3.242 82 H ALA 25 HN ALA 25 -2.556 3.788 -2.371 83 HA ALA 25 HA ALA 25 -3.770 5.505 -4.216 84 HB1 ALA 25 HB1 ALA 25 -1.687 6.269 -2.194 85 HB2 ALA 25 HB2 ALA 25 -3.412 6.086 -1.865 86 HB3 ALA 25 HB3 ALA 25 -2.850 7.344 -2.971 87 H ILE 26 HN ILE 26 -0.307 4.791 -3.784 88 HA ILE 26 HA ILE 26 0.771 6.623 -5.507 89 HB ILE 26 HB ILE 26 2.225 5.262 -4.191 90 HG12 ILE 26 HG12 ILE 26 2.659 4.721 -7.132 91 HG13 ILE 26 HG11 ILE 26 3.220 6.124 -6.231 92 HG21 ILE 26 HG21 ILE 26 2.615 2.873 -4.673 93 HG22 ILE 26 HG22 ILE 26 1.262 2.912 -5.806 94 HG23 ILE 26 HG23 ILE 26 0.983 3.208 -4.088 95 HD11 ILE 26 HD11 ILE 26 4.117 3.284 -5.813 96 HD12 ILE 26 HD12 ILE 26 4.679 4.687 -4.906 97 HD13 ILE 26 HD13 ILE 26 5.025 4.556 -6.631 98 H LYS 27 HN LYS 27 -0.660 3.490 -6.414 99 HA LYS 27 HA LYS 27 0.072 3.782 -9.166 100 HB2 LYS 27 HB2 LYS 27 -1.148 1.713 -9.503 101 HB3 LYS 27 HB1 LYS 27 -0.095 1.590 -8.117 102 HG2 LYS 27 HG2 LYS 27 -1.960 0.552 -7.337 103 HG3 LYS 27 HG1 LYS 27 -2.227 2.199 -6.774 104 HD2 LYS 27 HD2 LYS 27 -4.281 1.727 -7.668 105 HD3 LYS 27 HD1 LYS 27 -3.483 2.439 -9.068 106 HE2 LYS 27 HE2 LYS 27 -3.627 -0.522 -8.517 107 HE3 LYS 27 HE1 LYS 27 -4.765 0.349 -9.542 108 HZ1 LYS 27 HZ1 LYS 27 -1.846 0.037 -10.000 109 HZ2 LYS 27 HZ2 LYS 27 -2.862 1.008 -10.940 110 HZ3 LYS 27 HZ3 LYS 27 -3.096 -0.663 -10.900 111 H SER 28 HN SER 28 -2.526 4.802 -7.215 112 HA SER 28 HA SER 28 -4.352 5.115 -9.464 113 HB2 SER 28 HB2 SER 28 -4.719 5.717 -6.519 114 HB3 SER 28 HB1 SER 28 -5.981 5.831 -7.744 115 HG SER 28 HG SER 28 -5.843 3.628 -8.065 116 H CYS 29 HN CYS 29 -2.808 7.198 -7.009 117 HA CYS 29 HA CYS 29 -2.860 9.452 -8.837 118 HB2 CYS 29 HB2 CYS 29 -4.279 9.586 -6.168 119 HB3 CYS 29 HB1 CYS 29 -4.051 10.925 -7.284 120 HG CYS 29 HG CYS 29 -5.493 8.648 -9.034 121 HA PRO 30 HA PRO 30 0.957 10.036 -6.655 122 HB2 PRO 30 HB2 PRO 30 1.658 12.420 -7.704 123 HB3 PRO 30 HB1 PRO 30 1.709 10.920 -8.639 124 HG2 PRO 30 HG2 PRO 30 -0.388 13.059 -8.601 125 HG3 PRO 30 HG1 PRO 30 0.322 12.217 -9.991 126 HD2 PRO 30 HD2 PRO 30 -2.086 11.546 -8.944 127 HD3 PRO 30 HD1 PRO 30 -1.008 10.362 -9.704 128 H LYS 31 HN LYS 31 -1.198 10.571 -5.000 129 HA LYS 31 HA LYS 31 -0.434 13.117 -3.716 130 HB2 LYS 31 HB2 LYS 31 -2.993 11.519 -3.487 131 HB3 LYS 31 HB1 LYS 31 -2.619 12.932 -2.513 132 HG2 LYS 31 HG2 LYS 31 -2.586 14.326 -4.495 133 HG3 LYS 31 HG1 LYS 31 -2.873 12.912 -5.514 134 HD2 LYS 31 HD2 LYS 31 -5.033 12.566 -4.526 135 HD3 LYS 31 HD1 LYS 31 -4.741 13.831 -3.333 136 HE2 LYS 31 HE2 LYS 31 -6.195 14.654 -5.083 137 HE3 LYS 31 HE1 LYS 31 -4.646 15.491 -5.138 138 HZ1 LYS 31 HZ1 LYS 31 -3.978 14.127 -6.986 139 HZ2 LYS 31 HZ2 LYS 31 -5.466 14.849 -7.337 140 HZ3 LYS 31 HZ3 LYS 31 -5.405 13.220 -6.896 141 H THR 32 HN THR 32 -2.066 10.238 -2.449 142 HA THR 32 HA THR 32 -0.003 9.849 -0.441 143 HB THR 32 HB THR 32 -2.390 8.088 -1.059 144 HG1 THR 32 HG1 THR 32 -2.394 10.555 -0.122 145 HG21 THR 32 HG21 THR 32 -2.096 7.321 1.256 146 HG22 THR 32 HG22 THR 32 -0.679 8.357 1.416 147 HG23 THR 32 HG23 THR 32 -0.658 7.003 0.286 148 H PHE 33 HN PHE 33 1.369 7.968 -0.422 149 HA PHE 33 HA PHE 33 1.474 6.459 -2.887 150 HB2 PHE 33 HB2 PHE 33 3.898 7.116 -3.227 151 HB3 PHE 33 HB1 PHE 33 2.704 8.350 -3.611 152 HD1 PHE 33 HD1 PHE 33 4.730 7.212 -0.679 153 HD2 PHE 33 HD2 PHE 33 3.136 10.483 -2.889 154 HE1 PHE 33 HE1 PHE 33 5.892 8.786 0.817 155 HE2 PHE 33 HE2 PHE 33 4.288 12.060 -1.392 156 HZ PHE 33 HZ PHE 33 5.667 11.212 0.464 157 H GLN 34 HN GLN 34 3.306 4.926 -2.882 158 HA GLN 34 HA GLN 34 3.906 4.016 -0.157 159 HB2 GLN 34 HB2 GLN 34 2.265 2.641 -1.550 160 HB3 GLN 34 HB1 GLN 34 3.630 2.257 -2.585 161 HG2 GLN 34 HG2 GLN 34 4.786 1.271 -0.674 162 HG3 GLN 34 HG1 GLN 34 3.387 1.620 0.337 163 HE21 GLN 34 HE21 GLN 34 3.082 0.599 -2.980 164 HE22 GLN 34 HE22 GLN 34 2.455 -0.971 -2.638 165 H SER 35 HN SER 35 5.196 5.533 -2.653 166 HA SER 35 HA SER 35 7.280 4.153 -3.758 167 HB2 SER 35 HB2 SER 35 7.543 7.046 -2.964 168 HB3 SER 35 HB1 SER 35 8.139 6.245 -4.419 169 HG SER 35 HG SER 35 6.290 7.404 -4.938 170 H ASN 36 HN ASN 36 7.911 6.548 -1.184 171 HA ASN 36 HA ASN 36 10.082 4.811 -0.221 172 HB2 ASN 36 HB2 ASN 36 10.976 6.835 0.882 173 HB3 ASN 36 HB1 ASN 36 10.804 7.067 -0.854 174 HD21 ASN 36 HD21 ASN 36 9.253 8.482 -1.630 175 HD22 ASN 36 HD22 ASN 36 8.452 9.627 -0.612 176 H TYR 37 HN TYR 37 6.995 5.242 0.298 177 HA TYR 37 HA TYR 37 6.790 5.879 3.062 178 HB2 TYR 37 HB2 TYR 37 5.026 6.039 1.146 179 HB3 TYR 37 HB1 TYR 37 4.703 4.357 1.540 180 HD1 TYR 37 HD1 TYR 37 3.566 3.752 3.566 181 HD2 TYR 37 HD2 TYR 37 4.522 7.817 2.764 182 HE1 TYR 37 HE1 TYR 37 2.082 4.454 5.398 183 HE2 TYR 37 HE2 TYR 37 3.035 8.530 4.593 184 HH TYR 37 HH TYR 37 1.816 6.370 6.908 185 H VAL 38 HN VAL 38 7.183 2.933 1.231 186 HA VAL 38 HA VAL 38 6.322 1.023 3.063 187 HB VAL 38 HB VAL 38 8.627 0.806 1.123 188 HG11 VAL 38 HG11 VAL 38 7.000 -1.361 2.451 189 HG12 VAL 38 HG12 VAL 38 8.673 -0.952 2.830 190 HG13 VAL 38 HG13 VAL 38 8.262 -1.601 1.242 191 HG21 VAL 38 HG21 VAL 38 5.752 -0.013 0.799 192 HG22 VAL 38 HG22 VAL 38 7.028 -0.095 -0.417 193 HG23 VAL 38 HG23 VAL 38 6.453 1.468 0.152 194 H ARG 39 HN ARG 39 9.619 2.295 2.627 195 HA ARG 39 HA ARG 39 10.723 0.807 4.760 196 HB2 ARG 39 HB2 ARG 39 11.992 1.833 2.856 197 HB3 ARG 39 HB1 ARG 39 11.766 3.400 3.623 198 HG2 ARG 39 HG2 ARG 39 13.933 2.621 4.186 199 HG3 ARG 39 HG1 ARG 39 12.926 2.507 5.628 200 HD2 ARG 39 HD2 ARG 39 12.605 0.101 5.192 201 HD3 ARG 39 HD1 ARG 39 13.661 0.231 3.786 202 HE ARG 39 HE ARG 39 14.973 1.234 6.078 203 HH11 ARG 39 HH11 ARG 39 14.010 -1.786 4.595 204 HH12 ARG 39 HH12 ARG 39 15.236 -2.709 5.401 205 HH21 ARG 39 HH21 ARG 39 16.590 0.017 7.123 206 HH22 ARG 39 HH22 ARG 39 16.713 -1.686 6.820 207 H ASN 40 HN ASN 40 8.809 3.623 4.688 208 HA ASN 40 HA ASN 40 9.618 4.563 7.306 209 HB2 ASN 40 HB2 ASN 40 8.969 6.184 5.595 210 HB3 ASN 40 HB1 ASN 40 7.380 5.444 5.472 211 HD21 ASN 40 HD21 ASN 40 6.336 7.331 5.994 212 HD22 ASN 40 HD22 ASN 40 6.328 7.978 7.595 213 H ASN 41 HN ASN 41 6.627 3.274 5.852 214 HA ASN 41 HA ASN 41 5.744 2.478 8.550 215 HB2 ASN 41 HB2 ASN 41 4.160 3.653 6.269 216 HB3 ASN 41 HB1 ASN 41 3.382 2.717 7.539 217 HD21 ASN 41 HD21 ASN 41 2.194 4.513 8.202 218 HD22 ASN 41 HD22 ASN 41 2.910 5.806 9.096 219 H ALA 42 HN ALA 42 7.221 0.659 7.364 220 HA ALA 42 HA ALA 42 6.114 -1.034 5.455 221 HB1 ALA 42 HB1 ALA 42 7.946 -1.794 7.729 222 HB2 ALA 42 HB2 ALA 42 8.452 -1.132 6.174 223 HB3 ALA 42 HB3 ALA 42 7.682 -2.717 6.250 224 H SER 43 HN SER 43 5.531 -0.883 8.919 225 HA SER 43 HA SER 43 4.361 -3.414 9.236 226 HB2 SER 43 HB2 SER 43 3.624 -0.951 10.819 227 HB3 SER 43 HB1 SER 43 3.570 -2.633 11.343 228 HG SER 43 HG SER 43 5.567 -2.450 11.929 229 H LEU 44 HN LEU 44 3.033 -0.321 8.180 230 HA LEU 44 HA LEU 44 0.315 -1.151 8.185 231 HB2 LEU 44 HB2 LEU 44 1.715 0.994 6.589 232 HB3 LEU 44 HB1 LEU 44 -0.018 0.739 6.567 233 HG LEU 44 HG LEU 44 1.653 1.624 8.916 234 HD11 LEU 44 HD11 LEU 44 -0.553 2.992 7.383 235 HD12 LEU 44 HD12 LEU 44 1.168 3.350 7.252 236 HD13 LEU 44 HD13 LEU 44 0.319 3.651 8.768 237 HD21 LEU 44 HD21 LEU 44 -0.466 1.768 10.145 238 HD22 LEU 44 HD22 LEU 44 -0.069 0.109 9.702 239 HD23 LEU 44 HD23 LEU 44 -1.293 0.997 8.794 240 H VAL 45 HN VAL 45 2.809 -1.050 5.664 241 HA VAL 45 HA VAL 45 1.234 -2.055 3.573 242 HB VAL 45 HB VAL 45 4.203 -2.430 3.970 243 HG11 VAL 45 HG11 VAL 45 4.317 -2.683 1.569 244 HG12 VAL 45 HG12 VAL 45 2.570 -2.502 1.451 245 HG13 VAL 45 HG13 VAL 45 3.257 -3.906 2.268 246 HG21 VAL 45 HG21 VAL 45 2.700 -0.223 2.581 247 HG22 VAL 45 HG22 VAL 45 4.451 -0.422 2.590 248 HG23 VAL 45 HG23 VAL 45 3.596 -0.080 4.094 249 H ALA 46 HN ALA 46 2.972 -3.644 6.168 250 HA ALA 46 HA ALA 46 2.832 -6.287 5.188 251 HB1 ALA 46 HB1 ALA 46 3.003 -5.289 8.033 252 HB2 ALA 46 HB2 ALA 46 4.360 -5.656 6.969 253 HB3 ALA 46 HB3 ALA 46 3.294 -6.949 7.515 254 H GLU 47 HN GLU 47 0.502 -4.257 6.766 255 HA GLU 47 HA GLU 47 -1.300 -6.233 7.660 256 HB2 GLU 47 HB2 GLU 47 -1.752 -3.384 6.788 257 HB3 GLU 47 HB1 GLU 47 -3.006 -4.396 7.483 258 HG2 GLU 47 HG2 GLU 47 -0.425 -3.657 8.843 259 HG3 GLU 47 HG1 GLU 47 -1.985 -2.883 9.124 260 H ALA 48 HN ALA 48 -0.657 -4.875 4.547 261 HA ALA 48 HA ALA 48 -3.013 -5.424 3.175 262 HB1 ALA 48 HB1 ALA 48 -1.236 -4.073 2.259 263 HB2 ALA 48 HB2 ALA 48 -1.669 -5.381 1.155 264 HB3 ALA 48 HB3 ALA 48 -0.202 -5.498 2.134 265 H ALA 49 HN ALA 49 -0.501 -7.592 4.203 266 HA ALA 49 HA ALA 49 -0.988 -9.729 2.473 267 HB1 ALA 49 HB1 ALA 49 0.932 -9.633 3.991 268 HB2 ALA 49 HB2 ALA 49 0.032 -11.137 4.182 269 HB3 ALA 49 HB3 ALA 49 -0.148 -9.845 5.368 270 H SER 50 HN SER 50 -2.754 -8.531 5.222 271 HA SER 50 HA SER 50 -4.452 -10.804 5.546 272 HB2 SER 50 HB2 SER 50 -4.990 -7.942 6.366 273 HB3 SER 50 HB1 SER 50 -5.725 -9.399 7.040 274 HG SER 50 HG SER 50 -3.709 -8.246 8.041 275 H ARG 51 HN ARG 51 -4.717 -7.699 3.808 276 HA ARG 51 HA ARG 51 -7.305 -8.197 2.777 277 HB2 ARG 51 HB2 ARG 51 -5.219 -6.195 2.437 278 HB3 ARG 51 HB1 ARG 51 -6.036 -6.560 0.923 279 HG2 ARG 51 HG2 ARG 51 -7.161 -4.734 1.948 280 HG3 ARG 51 HG1 ARG 51 -8.203 -6.147 2.060 281 HD2 ARG 51 HD2 ARG 51 -7.178 -6.450 4.407 282 HD3 ARG 51 HD1 ARG 51 -6.638 -4.772 4.230 283 HE ARG 51 HE ARG 51 -9.338 -4.837 3.592 284 HH11 ARG 51 HH11 ARG 51 -7.315 -5.399 6.396 285 HH12 ARG 51 HH12 ARG 51 -8.564 -4.988 7.527 286 HH21 ARG 51 HH21 ARG 51 -10.968 -4.298 5.080 287 HH22 ARG 51 HH22 ARG 51 -10.640 -4.354 6.779 288 H GLY 52 HN GLY 52 -4.067 -9.056 1.728 289 HA2 GLY 52 HA2 GLY 52 -3.811 -11.254 0.828 290 HA3 GLY 52 HA1 GLY 52 -5.384 -11.096 0.075 291 H HIS 53 HN HIS 53 -3.373 -8.323 -0.340 292 HA HIS 53 HA HIS 53 -2.210 -9.424 -2.773 293 HB2 HIS 53 HB2 HIS 53 -4.372 -7.391 -2.737 294 HB3 HIS 53 HB1 HIS 53 -3.063 -7.155 -3.890 295 HD1 HIS 53 HD1 HIS 53 -5.961 -9.410 -3.131 296 HD2 HIS 53 HD2 HIS 53 -2.961 -9.014 -5.985 297 HE1 HIS 53 HE1 HIS 53 -6.623 -10.924 -5.020 298 HE2 HIS 53 HE2 HIS 53 -4.746 -10.751 -6.691 299 H ILE 54 HN ILE 54 -0.244 -8.794 -3.052 300 HA ILE 54 HA ILE 54 0.720 -6.157 -2.645 301 HB ILE 54 HB ILE 54 2.617 -7.209 -1.067 302 HG12 ILE 54 HG12 ILE 54 0.064 -8.522 -0.111 303 HG13 ILE 54 HG11 ILE 54 1.456 -9.357 -0.793 304 HG21 ILE 54 HG21 ILE 54 1.557 -6.036 0.816 305 HG22 ILE 54 HG22 ILE 54 0.077 -5.903 -0.135 306 HG23 ILE 54 HG23 ILE 54 1.550 -5.102 -0.680 307 HD11 ILE 54 HD11 ILE 54 1.405 -7.785 1.772 308 HD12 ILE 54 HD12 ILE 54 2.821 -8.586 1.086 309 HD13 ILE 54 HD13 ILE 54 1.436 -9.543 1.616 310 H SER 55 HN SER 55 3.102 -6.075 -3.103 311 HA SER 55 HA SER 55 4.235 -8.452 -4.319 312 HB2 SER 55 HB2 SER 55 2.894 -7.298 -6.112 313 HB3 SER 55 HB1 SER 55 3.946 -5.895 -5.914 314 HG SER 55 HG SER 55 4.998 -8.463 -6.450 315 H CYS 56 HN CYS 56 6.437 -8.488 -4.052 316 HA CYS 56 HA CYS 56 7.510 -6.196 -2.550 317 HB2 CYS 56 HB2 CYS 56 7.338 -8.232 -1.239 318 HB3 CYS 56 HB1 CYS 56 8.240 -9.126 -2.457 319 HG CYS 56 HG CYS 56 10.065 -8.872 -0.503 320 H ALA 57 HN ALA 57 9.377 -5.241 -3.122 321 HA ALA 57 HA ALA 57 10.767 -6.234 -5.492 322 HB1 ALA 57 HB1 ALA 57 10.120 -3.862 -5.431 323 HB2 ALA 57 HB2 ALA 57 11.867 -4.076 -5.558 324 HB3 ALA 57 HB3 ALA 57 11.144 -3.633 -4.012 325 H THR 58 HN THR 58 11.810 -4.843 -2.330 326 HA THR 58 HA THR 58 13.590 -7.111 -2.024 327 HB THR 58 HB THR 58 14.777 -4.381 -1.672 328 HG1 THR 58 HG1 THR 58 14.348 -5.840 -3.986 329 HG21 THR 58 HG21 THR 58 16.881 -5.586 -1.739 330 HG22 THR 58 HG22 THR 58 16.027 -7.101 -2.017 331 HG23 THR 58 HG23 THR 58 15.840 -6.252 -0.482 332 H THR 59 HN THR 59 12.410 -4.146 -0.603 333 HA THR 59 HA THR 59 11.658 -3.591 1.456 334 HB THR 59 HB THR 59 12.041 -6.454 2.326 335 HG1 THR 59 HG1 THR 59 9.765 -5.203 1.128 336 HG21 THR 59 HG21 THR 59 10.320 -5.898 3.966 337 HG22 THR 59 HG22 THR 59 10.204 -4.262 3.314 338 HG23 THR 59 HG23 THR 59 11.685 -4.789 4.115 339 H SER 60 HN SER 60 14.405 -5.846 1.632 340 HA SER 60 HA SER 60 15.329 -5.058 4.149 341 HB2 SER 60 HB2 SER 60 16.959 -6.195 1.873 342 HB3 SER 60 HB1 SER 60 17.356 -6.264 3.590 343 HG SER 60 HG SER 60 16.026 -8.040 2.265 344 H GLY 61 HN GLY 61 15.787 -3.549 1.042 345 HA2 GLY 61 HA2 GLY 61 17.712 -1.703 2.287 346 HA3 GLY 61 HA1 GLY 61 17.643 -2.042 0.565 347 H ARG 62 HN ARG 62 17.554 0.541 1.689 348 HA ARG 62 HA ARG 62 14.781 1.405 1.623 349 HB2 ARG 62 HB2 ARG 62 15.651 3.610 2.142 350 HB3 ARG 62 HB1 ARG 62 16.398 2.423 3.203 351 HG2 ARG 62 HG2 ARG 62 18.417 2.451 1.868 352 HG3 ARG 62 HG1 ARG 62 17.665 3.556 0.716 353 HD2 ARG 62 HD2 ARG 62 17.425 5.218 2.519 354 HD3 ARG 62 HD1 ARG 62 18.264 4.120 3.613 355 HE ARG 62 HE ARG 62 19.986 4.393 1.531 356 HH11 ARG 62 HH11 ARG 62 18.345 6.645 3.642 357 HH12 ARG 62 HH12 ARG 62 19.582 7.854 3.530 358 HH21 ARG 62 HH21 ARG 62 21.632 5.981 1.390 359 HH22 ARG 62 HH22 ARG 62 21.449 7.480 2.248 360 H ASN 63 HN ASN 63 17.287 0.905 -0.579 361 HA ASN 63 HA ASN 63 16.768 3.081 -2.359 362 HB2 ASN 63 HB2 ASN 63 18.968 2.003 -2.247 363 HB3 ASN 63 HB1 ASN 63 18.263 0.489 -2.808 364 HD21 ASN 63 HD21 ASN 63 19.163 3.740 -3.688 365 HD22 ASN 63 HD22 ASN 63 19.123 3.499 -5.399 366 H GLY 64 HN GLY 64 16.546 -0.391 -3.110 367 HA2 GLY 64 HA2 GLY 64 14.127 0.224 -4.689 368 HA3 GLY 64 HA1 GLY 64 15.247 -1.082 -5.043 369 H GLY 65 HN GLY 65 14.952 -0.945 -1.794 370 HA2 GLY 65 HA2 GLY 65 13.368 -3.367 -1.795 371 HA3 GLY 65 HA1 GLY 65 14.177 -2.633 -0.410 372 H ALA 66 HN ALA 66 11.534 -1.916 -2.658 373 HA ALA 66 HA ALA 66 9.928 -1.103 -0.328 374 HB1 ALA 66 HB1 ALA 66 8.691 0.376 -1.834 375 HB2 ALA 66 HB2 ALA 66 9.716 -0.128 -3.178 376 HB3 ALA 66 HB3 ALA 66 10.409 0.771 -1.828 377 H TRP 67 HN TRP 67 7.622 -1.523 -0.558 378 HA TRP 67 HA TRP 67 7.022 -3.891 -2.165 379 HB2 TRP 67 HB2 TRP 67 5.613 -2.544 0.135 380 HB3 TRP 67 HB1 TRP 67 4.805 -3.745 -0.860 381 HD1 TRP 67 HD1 TRP 67 7.728 -3.438 1.642 382 HE1 TRP 67 HE1 TRP 67 8.142 -5.759 2.677 383 HE3 TRP 67 HE3 TRP 67 4.490 -6.190 -1.200 384 HZ2 TRP 67 HZ2 TRP 67 7.226 -8.399 2.330 385 HZ3 TRP 67 HZ3 TRP 67 4.319 -8.607 -0.782 386 HH2 TRP 67 HH2 TRP 67 5.659 -9.688 0.946 387 H GLU 68 HN GLU 68 5.345 -3.874 -3.664 388 HA GLU 68 HA GLU 68 4.020 -1.290 -4.118 389 HB2 GLU 68 HB2 GLU 68 4.076 -1.604 -6.499 390 HB3 GLU 68 HB1 GLU 68 5.720 -1.760 -5.900 391 HG2 GLU 68 HG2 GLU 68 5.556 -4.182 -6.051 392 HG3 GLU 68 HG1 GLU 68 3.889 -4.035 -6.614 393 H ILE 69 HN ILE 69 1.945 -1.689 -5.440 394 HA ILE 69 HA ILE 69 0.618 -3.958 -4.124 395 HB ILE 69 HB ILE 69 -0.172 -1.703 -3.491 396 HG12 ILE 69 HG12 ILE 69 -2.138 -3.400 -5.045 397 HG13 ILE 69 HG11 ILE 69 -1.722 -3.572 -3.344 398 HG21 ILE 69 HG21 ILE 69 0.245 -0.478 -5.494 399 HG22 ILE 69 HG22 ILE 69 -1.492 -0.428 -5.192 400 HG23 ILE 69 HG23 ILE 69 -0.843 -1.511 -6.417 401 HD11 ILE 69 HD11 ILE 69 -2.693 -1.357 -2.915 402 HD12 ILE 69 HD12 ILE 69 -3.860 -2.505 -3.566 403 HD13 ILE 69 HD13 ILE 69 -3.169 -1.264 -4.612 404 H THR 70 HN THR 70 -0.878 -5.205 -5.292 405 HA THR 70 HA THR 70 -0.465 -5.217 -8.164 406 HB THR 70 HB THR 70 -1.991 -7.299 -7.949 407 HG1 THR 70 HG1 THR 70 -1.340 -7.937 -5.503 408 HG21 THR 70 HG21 THR 70 0.468 -7.357 -8.297 409 HG22 THR 70 HG22 THR 70 -0.119 -8.695 -7.309 410 HG23 THR 70 HG23 THR 70 0.684 -7.323 -6.545 411 H ALA 71 HN ALA 71 -2.412 -5.412 -9.599 412 HA ALA 71 HA ALA 71 -3.817 -3.039 -9.436 413 HB1 ALA 71 HB1 ALA 71 -3.442 -4.320 -11.500 414 HB2 ALA 71 HB2 ALA 71 -5.121 -3.815 -11.309 415 HB3 ALA 71 HB3 ALA 71 -4.660 -5.483 -10.976 416 H SER 72 HN SER 72 -4.914 -6.268 -8.512 417 HA SER 72 HA SER 72 -7.599 -5.721 -8.115 418 HB2 SER 72 HB2 SER 72 -6.065 -7.713 -6.474 419 HB3 SER 72 HB1 SER 72 -7.674 -7.845 -7.169 420 HG SER 72 HG SER 72 -6.657 -8.898 -8.681 421 H GLY 73 HN GLY 73 -4.848 -5.057 -6.039 422 HA2 GLY 73 HA2 GLY 73 -6.119 -5.165 -3.535 423 HA3 GLY 73 HA1 GLY 73 -4.668 -4.239 -3.893 424 H THR 74 HN THR 74 -5.718 -2.483 -5.776 425 HA THR 74 HA THR 74 -6.533 -0.322 -4.248 426 HB THR 74 HB THR 74 -7.196 -0.819 -7.170 427 HG1 THR 74 HG1 THR 74 -4.806 -0.340 -5.804 428 HG21 THR 74 HG21 THR 74 -8.197 1.222 -6.121 429 HG22 THR 74 HG22 THR 74 -7.051 1.573 -7.419 430 HG23 THR 74 HG23 THR 74 -6.563 1.764 -5.737 431 H ARG 75 HN ARG 75 -8.559 -2.863 -5.705 432 HA ARG 75 HA ARG 75 -10.942 -1.266 -5.728 433 HB2 ARG 75 HB2 ARG 75 -10.616 -4.248 -6.072 434 HB3 ARG 75 HB1 ARG 75 -12.040 -3.308 -6.493 435 HG2 ARG 75 HG2 ARG 75 -10.900 -2.202 -8.249 436 HG3 ARG 75 HG1 ARG 75 -9.339 -2.829 -7.717 437 HD2 ARG 75 HD2 ARG 75 -10.104 -5.108 -8.240 438 HD3 ARG 75 HD1 ARG 75 -11.633 -4.449 -8.818 439 HE ARG 75 HE ARG 75 -10.123 -3.161 -10.436 440 HH11 ARG 75 HH11 ARG 75 -9.454 -6.393 -9.268 441 HH12 ARG 75 HH12 ARG 75 -8.540 -6.843 -10.671 442 HH21 ARG 75 HH21 ARG 75 -8.916 -3.752 -12.279 443 HH22 ARG 75 HH22 ARG 75 -8.232 -5.343 -12.381 444 H PHE 76 HN PHE 76 -10.120 -4.247 -3.910 445 HA PHE 76 HA PHE 76 -12.461 -3.978 -2.280 446 HB2 PHE 76 HB2 PHE 76 -11.371 -5.898 -0.985 447 HB3 PHE 76 HB1 PHE 76 -11.898 -6.193 -2.629 448 HD1 PHE 76 HD1 PHE 76 -8.895 -5.454 -0.563 449 HD2 PHE 76 HD2 PHE 76 -10.425 -7.033 -4.210 450 HE1 PHE 76 HE1 PHE 76 -6.675 -6.354 -1.104 451 HE2 PHE 76 HE2 PHE 76 -8.203 -7.926 -4.756 452 HZ PHE 76 HZ PHE 76 -6.328 -7.588 -3.202 453 H LEU 77 HN LEU 77 -9.108 -3.308 -1.869 454 HA LEU 77 HA LEU 77 -9.070 -3.194 0.930 455 HB2 LEU 77 HB2 LEU 77 -7.070 -3.668 -0.092 456 HB3 LEU 77 HB1 LEU 77 -7.274 -2.439 -1.317 457 HG LEU 77 HG LEU 77 -6.974 -0.823 0.709 458 HD11 LEU 77 HD11 LEU 77 -5.617 -3.356 1.616 459 HD12 LEU 77 HD12 LEU 77 -6.912 -2.490 2.444 460 HD13 LEU 77 HD13 LEU 77 -5.314 -1.761 2.299 461 HD21 LEU 77 HD21 LEU 77 -5.542 -0.783 -1.182 462 HD22 LEU 77 HD22 LEU 77 -4.823 -2.339 -0.748 463 HD23 LEU 77 HD23 LEU 77 -4.505 -0.914 0.242 464 H LYS 78 HN LYS 78 -9.342 -0.586 -1.508 465 HA LYS 78 HA LYS 78 -9.134 1.498 0.427 466 HB2 LYS 78 HB2 LYS 78 -8.516 1.838 -1.915 467 HB3 LYS 78 HB1 LYS 78 -10.190 1.605 -2.402 468 HG2 LYS 78 HG2 LYS 78 -10.864 3.626 -1.361 469 HG3 LYS 78 HG1 LYS 78 -9.310 3.794 -0.538 470 HD2 LYS 78 HD2 LYS 78 -9.535 5.295 -2.490 471 HD3 LYS 78 HD1 LYS 78 -8.186 4.169 -2.641 472 HE2 LYS 78 HE2 LYS 78 -9.505 2.749 -4.104 473 HE3 LYS 78 HE1 LYS 78 -10.902 3.804 -3.900 474 HZ1 LYS 78 HZ1 LYS 78 -9.735 5.567 -5.003 475 HZ2 LYS 78 HZ2 LYS 78 -9.689 4.195 -5.987 476 HZ3 LYS 78 HZ3 LYS 78 -8.321 4.645 -5.102 477 H ARG 79 HN ARG 79 -11.802 -0.331 -0.804 478 HA ARG 79 HA ARG 79 -13.828 1.603 -0.420 479 HB2 ARG 79 HB2 ARG 79 -15.390 -0.121 -0.862 480 HB3 ARG 79 HB1 ARG 79 -13.983 -0.470 -1.854 481 HG2 ARG 79 HG2 ARG 79 -13.239 -2.131 -0.248 482 HG3 ARG 79 HG1 ARG 79 -14.626 -1.766 0.780 483 HD2 ARG 79 HD2 ARG 79 -14.740 -2.853 -2.033 484 HD3 ARG 79 HD1 ARG 79 -14.990 -3.785 -0.560 485 HE ARG 79 HE ARG 79 -16.768 -1.558 -0.735 486 HH11 ARG 79 HH11 ARG 79 -16.233 -4.830 -1.839 487 HH12 ARG 79 HH12 ARG 79 -17.911 -5.143 -2.142 488 HH21 ARG 79 HH21 ARG 79 -18.985 -1.960 -1.129 489 HH22 ARG 79 HH22 ARG 79 -19.479 -3.512 -1.728 490 H MET 80 HN MET 80 -12.075 -0.236 1.821 491 HA MET 80 HA MET 80 -14.236 -0.541 3.724 492 HB2 MET 80 HB2 MET 80 -11.285 -1.115 4.027 493 HB3 MET 80 HB1 MET 80 -12.543 -1.580 5.164 494 HG2 MET 80 HG2 MET 80 -12.268 -2.543 2.327 495 HG3 MET 80 HG1 MET 80 -11.879 -3.455 3.782 496 HE1 MET 80 HE1 MET 80 -13.797 -4.461 1.409 497 HE2 MET 80 HE2 MET 80 -15.099 -5.214 2.329 498 HE3 MET 80 HE3 MET 80 -13.422 -5.450 2.821 499 H GLY 81 HN GLY 81 -12.910 2.134 2.803 500 HA2 GLY 81 HA2 GLY 81 -13.331 4.116 4.140 501 HA3 GLY 81 HA1 GLY 81 -12.796 3.215 5.548 502 H GLY 82 HN GLY 82 -11.265 3.487 2.356 503 HA2 GLY 82 HA2 GLY 82 -8.677 3.718 3.382 504 HA3 GLY 82 HA1 GLY 82 -9.157 4.170 1.756 505 H CYS 83 HN CYS 83 -8.123 5.228 4.783 506 HA CYS 83 HA CYS 83 -7.652 7.240 5.721 507 HB2 CYS 83 HB2 CYS 83 -6.414 7.366 3.503 508 HB3 CYS 83 HB1 CYS 83 -7.759 8.340 2.920 509 HG CYS 83 HG CYS 83 -7.035 9.875 5.573 510 H VAL 84 HN VAL 84 -10.412 6.502 5.413 511 HA VAL 84 HA VAL 84 -11.977 8.690 4.549 512 HB VAL 84 HB VAL 84 -12.879 6.419 4.637 513 HG11 VAL 84 HG11 VAL 84 -11.848 5.567 6.634 514 HG12 VAL 84 HG12 VAL 84 -13.600 5.444 6.787 515 HG13 VAL 84 HG13 VAL 84 -12.729 6.725 7.630 516 HG21 VAL 84 HG21 VAL 84 -14.365 8.375 6.381 517 HG22 VAL 84 HG22 VAL 84 -15.069 6.956 5.604 518 HG23 VAL 84 HG23 VAL 84 -14.428 8.272 4.621 Start of MODEL 10 1 H1 MET 16 HT1 MET 16 -7.014 0.488 10.687 2 H2 MET 16 HT2 MET 16 -5.443 1.087 10.521 3 H3 MET 16 HT3 MET 16 -5.689 -0.526 10.962 4 HA MET 16 HA MET 16 -5.041 -0.427 8.683 5 HB2 MET 16 HB2 MET 16 -6.871 -1.654 7.683 6 HB3 MET 16 HB1 MET 16 -6.696 -2.132 9.364 7 HG2 MET 16 HG2 MET 16 -8.599 -0.798 9.990 8 HG3 MET 16 HG1 MET 16 -8.733 -0.162 8.352 9 HE1 MET 16 HE1 MET 16 -9.548 -4.557 9.504 10 HE2 MET 16 HE2 MET 16 -9.079 -3.305 10.655 11 HE3 MET 16 HE3 MET 16 -7.925 -3.875 9.450 12 H SER 17 HN SER 17 -7.094 2.081 9.640 13 HA SER 17 HA SER 17 -8.415 2.865 7.342 14 HB2 SER 17 HB2 SER 17 -8.900 3.863 9.481 15 HB3 SER 17 HB1 SER 17 -7.269 4.512 9.605 16 HG SER 17 HG SER 17 -9.445 5.577 8.430 17 H ASP 18 HN ASP 18 -5.203 3.997 8.441 18 HA ASP 18 HA ASP 18 -4.827 5.644 6.135 19 HB2 ASP 18 HB2 ASP 18 -2.932 4.680 8.255 20 HB3 ASP 18 HB1 ASP 18 -2.456 5.790 6.981 21 H TYR 19 HN TYR 19 -3.817 2.450 7.115 22 HA TYR 19 HA TYR 19 -1.935 1.835 5.193 23 HB2 TYR 19 HB2 TYR 19 -2.036 0.085 6.627 24 HB3 TYR 19 HB1 TYR 19 -3.744 0.341 6.964 25 HD1 TYR 19 HD1 TYR 19 -5.370 -1.071 6.015 26 HD2 TYR 19 HD2 TYR 19 -1.406 -1.112 4.471 27 HE1 TYR 19 HE1 TYR 19 -5.915 -3.041 4.672 28 HE2 TYR 19 HE2 TYR 19 -1.951 -3.091 3.119 29 HH TYR 19 HH TYR 19 -3.687 -5.017 3.316 30 H LEU 20 HN LEU 20 -5.426 1.922 4.935 31 HA LEU 20 HA LEU 20 -5.899 0.354 2.740 32 HB2 LEU 20 HB2 LEU 20 -7.236 2.983 3.361 33 HB3 LEU 20 HB1 LEU 20 -7.878 1.725 2.317 34 HG LEU 20 HG LEU 20 -7.394 1.434 5.284 35 HD11 LEU 20 HD11 LEU 20 -9.832 1.419 5.459 36 HD12 LEU 20 HD12 LEU 20 -9.956 1.766 3.734 37 HD13 LEU 20 HD13 LEU 20 -9.230 2.950 4.823 38 HD21 LEU 20 HD21 LEU 20 -8.666 -0.431 3.284 39 HD22 LEU 20 HD22 LEU 20 -8.656 -0.662 5.032 40 HD23 LEU 20 HD23 LEU 20 -7.139 -0.680 4.133 41 H LYS 21 HN LYS 21 -5.062 3.819 2.707 42 HA LYS 21 HA LYS 21 -5.038 3.773 -0.169 43 HB2 LYS 21 HB2 LYS 21 -4.513 5.983 1.791 44 HB3 LYS 21 HB1 LYS 21 -4.349 6.174 0.048 45 HG2 LYS 21 HG2 LYS 21 -6.735 5.360 -0.134 46 HG3 LYS 21 HG1 LYS 21 -6.833 5.553 1.620 47 HD2 LYS 21 HD2 LYS 21 -7.704 7.538 0.578 48 HD3 LYS 21 HD1 LYS 21 -6.158 7.933 1.329 49 HE2 LYS 21 HE2 LYS 21 -5.042 7.797 -0.821 50 HE3 LYS 21 HE1 LYS 21 -6.544 7.293 -1.594 51 HZ1 LYS 21 HZ1 LYS 21 -6.140 9.908 -0.246 52 HZ2 LYS 21 HZ2 LYS 21 -7.503 9.423 -1.126 53 HZ3 LYS 21 HZ3 LYS 21 -6.029 9.658 -1.915 54 H VAL 22 HN VAL 22 -2.673 3.346 2.312 55 HA VAL 22 HA VAL 22 -0.479 4.643 1.267 56 HB VAL 22 HB VAL 22 -0.778 2.324 3.087 57 HG11 VAL 22 HG11 VAL 22 1.647 1.975 3.226 58 HG12 VAL 22 HG12 VAL 22 1.884 3.054 1.852 59 HG13 VAL 22 HG13 VAL 22 1.032 1.525 1.636 60 HG21 VAL 22 HG21 VAL 22 0.671 4.973 3.115 61 HG22 VAL 22 HG22 VAL 22 0.709 3.803 4.454 62 HG23 VAL 22 HG23 VAL 22 -0.819 4.549 3.969 63 H LEU 23 HN LEU 23 -1.240 1.189 0.660 64 HA LEU 23 HA LEU 23 0.794 0.993 -1.312 65 HB2 LEU 23 HB2 LEU 23 -0.947 -1.085 -1.854 66 HB3 LEU 23 HB1 LEU 23 0.499 -1.144 -0.871 67 HG LEU 23 HG LEU 23 -0.867 -0.719 1.139 68 HD11 LEU 23 HD11 LEU 23 -3.166 -0.862 -0.801 69 HD12 LEU 23 HD12 LEU 23 -2.724 0.505 0.221 70 HD13 LEU 23 HD13 LEU 23 -3.327 -0.982 0.949 71 HD21 LEU 23 HD21 LEU 23 -0.350 -2.980 0.560 72 HD22 LEU 23 HD22 LEU 23 -1.669 -3.032 -0.608 73 HD23 LEU 23 HD23 LEU 23 -2.022 -2.917 1.114 74 H GLN 24 HN GLN 24 -2.724 1.474 -1.567 75 HA GLN 24 HA GLN 24 -2.683 1.126 -4.386 76 HB2 GLN 24 HB2 GLN 24 -5.002 1.819 -4.377 77 HB3 GLN 24 HB1 GLN 24 -4.691 0.607 -3.161 78 HG2 GLN 24 HG2 GLN 24 -6.047 2.014 -1.998 79 HG3 GLN 24 HG1 GLN 24 -4.484 2.723 -1.599 80 HE21 GLN 24 HE21 GLN 24 -4.069 4.792 -2.231 81 HE22 GLN 24 HE22 GLN 24 -5.181 5.783 -3.113 82 H ALA 25 HN ALA 25 -2.128 3.823 -2.350 83 HA ALA 25 HA ALA 25 -3.005 5.897 -3.989 84 HB1 ALA 25 HB1 ALA 25 -2.285 6.007 -1.569 85 HB2 ALA 25 HB2 ALA 25 -1.842 7.361 -2.604 86 HB3 ALA 25 HB3 ALA 25 -0.634 6.145 -2.183 87 H ILE 26 HN ILE 26 0.140 4.245 -3.972 88 HA ILE 26 HA ILE 26 1.347 6.051 -5.785 89 HB ILE 26 HB ILE 26 2.691 4.535 -4.403 90 HG12 ILE 26 HG12 ILE 26 3.057 4.129 -7.380 91 HG13 ILE 26 HG11 ILE 26 3.698 5.461 -6.425 92 HG21 ILE 26 HG21 ILE 26 2.917 2.157 -5.074 93 HG22 ILE 26 HG22 ILE 26 1.531 2.370 -6.147 94 HG23 ILE 26 HG23 ILE 26 1.336 2.561 -4.402 95 HD11 ILE 26 HD11 ILE 26 5.072 3.855 -5.168 96 HD12 ILE 26 HD12 ILE 26 5.436 3.866 -6.893 97 HD13 ILE 26 HD13 ILE 26 4.468 2.563 -6.204 98 H LYS 27 HN LYS 27 -0.687 3.255 -6.197 99 HA LYS 27 HA LYS 27 -0.277 3.047 -9.024 100 HB2 LYS 27 HB2 LYS 27 -1.062 1.018 -8.503 101 HB3 LYS 27 HB1 LYS 27 -1.695 1.582 -6.966 102 HG2 LYS 27 HG2 LYS 27 -3.769 2.168 -7.920 103 HG3 LYS 27 HG1 LYS 27 -3.141 2.006 -9.563 104 HD2 LYS 27 HD2 LYS 27 -2.879 -0.399 -9.229 105 HD3 LYS 27 HD1 LYS 27 -3.469 -0.240 -7.574 106 HE2 LYS 27 HE2 LYS 27 -5.231 -1.030 -9.073 107 HE3 LYS 27 HE1 LYS 27 -5.617 0.551 -8.399 108 HZ1 LYS 27 HZ1 LYS 27 -6.119 0.432 -10.765 109 HZ2 LYS 27 HZ2 LYS 27 -4.507 0.067 -11.114 110 HZ3 LYS 27 HZ3 LYS 27 -4.913 1.575 -10.465 111 H SER 28 HN SER 28 -2.603 4.609 -6.905 112 HA SER 28 HA SER 28 -4.248 5.420 -9.162 113 HB2 SER 28 HB2 SER 28 -4.606 5.964 -6.204 114 HB3 SER 28 HB1 SER 28 -5.811 6.222 -7.466 115 HG SER 28 HG SER 28 -5.288 3.815 -7.859 116 H CYS 29 HN CYS 29 -1.599 6.627 -7.486 117 HA CYS 29 HA CYS 29 -1.809 9.200 -8.804 118 HB2 CYS 29 HB2 CYS 29 -2.933 9.549 -6.614 119 HB3 CYS 29 HB1 CYS 29 -1.472 9.007 -5.797 120 HG CYS 29 HG CYS 29 -0.827 11.479 -5.440 121 HA PRO 30 HA PRO 30 2.385 8.430 -9.860 122 HB2 PRO 30 HB2 PRO 30 2.729 11.248 -8.897 123 HB3 PRO 30 HB1 PRO 30 3.368 10.476 -10.352 124 HG2 PRO 30 HG2 PRO 30 1.203 12.028 -10.467 125 HG3 PRO 30 HG1 PRO 30 1.336 10.562 -11.454 126 HD2 PRO 30 HD2 PRO 30 -0.364 11.092 -9.095 127 HD3 PRO 30 HD1 PRO 30 -0.583 9.920 -10.406 128 H LYS 31 HN LYS 31 2.245 10.463 -6.885 129 HA LYS 31 HA LYS 31 4.155 8.592 -5.663 130 HB2 LYS 31 HB2 LYS 31 5.403 10.523 -6.611 131 HB3 LYS 31 HB1 LYS 31 4.461 11.600 -5.591 132 HG2 LYS 31 HG2 LYS 31 5.353 10.368 -3.606 133 HG3 LYS 31 HG1 LYS 31 6.422 9.496 -4.706 134 HD2 LYS 31 HD2 LYS 31 6.346 12.492 -4.338 135 HD3 LYS 31 HD1 LYS 31 7.545 11.406 -3.639 136 HE2 LYS 31 HE2 LYS 31 7.057 11.806 -6.588 137 HE3 LYS 31 HE1 LYS 31 8.362 12.542 -5.663 138 HZ1 LYS 31 HZ1 LYS 31 9.161 10.615 -6.816 139 HZ2 LYS 31 HZ2 LYS 31 7.962 9.638 -6.140 140 HZ3 LYS 31 HZ3 LYS 31 9.172 10.295 -5.155 141 H THR 32 HN THR 32 2.846 7.782 -4.105 142 HA THR 32 HA THR 32 2.283 9.473 -1.842 143 HB THR 32 HB THR 32 -0.104 7.975 -2.847 144 HG1 THR 32 HG1 THR 32 0.938 10.307 -3.897 145 HG21 THR 32 HG21 THR 32 -0.064 8.751 -0.528 146 HG22 THR 32 HG22 THR 32 -1.299 9.600 -1.459 147 HG23 THR 32 HG23 THR 32 0.227 10.400 -1.082 148 H PHE 33 HN PHE 33 3.262 8.336 -0.403 149 HA PHE 33 HA PHE 33 3.444 6.834 1.253 150 HB2 PHE 33 HB2 PHE 33 1.087 5.473 -0.045 151 HB3 PHE 33 HB1 PHE 33 1.751 5.070 1.530 152 HD1 PHE 33 HD1 PHE 33 2.177 7.615 2.803 153 HD2 PHE 33 HD2 PHE 33 -1.009 6.387 0.264 154 HE1 PHE 33 HE1 PHE 33 0.709 9.295 3.838 155 HE2 PHE 33 HE2 PHE 33 -2.480 8.061 1.298 156 HZ PHE 33 HZ PHE 33 -1.668 9.463 3.110 157 H GLN 34 HN GLN 34 2.374 4.640 -1.341 158 HA GLN 34 HA GLN 34 4.246 2.692 -0.507 159 HB2 GLN 34 HB2 GLN 34 2.004 2.397 -1.697 160 HB3 GLN 34 HB1 GLN 34 2.895 2.718 -3.176 161 HG2 GLN 34 HG2 GLN 34 2.895 0.424 -3.061 162 HG3 GLN 34 HG1 GLN 34 4.466 0.867 -2.388 163 HE21 GLN 34 HE21 GLN 34 2.882 -1.553 -1.996 164 HE22 GLN 34 HE22 GLN 34 2.624 -1.682 -0.293 165 H SER 35 HN SER 35 4.665 5.413 -2.414 166 HA SER 35 HA SER 35 6.639 4.633 -4.227 167 HB2 SER 35 HB2 SER 35 6.458 7.273 -2.763 168 HB3 SER 35 HB1 SER 35 7.222 6.977 -4.325 169 HG SER 35 HG SER 35 5.234 6.612 -5.229 170 H ASN 36 HN ASN 36 7.330 6.441 -1.213 171 HA ASN 36 HA ASN 36 9.833 4.881 -0.960 172 HB2 ASN 36 HB2 ASN 36 9.980 7.355 -1.722 173 HB3 ASN 36 HB1 ASN 36 9.544 7.745 -0.064 174 HD21 ASN 36 HD21 ASN 36 11.966 8.360 -1.511 175 HD22 ASN 36 HD22 ASN 36 13.263 7.651 -0.617 176 H TYR 37 HN TYR 37 7.001 6.071 0.447 177 HA TYR 37 HA TYR 37 7.753 6.381 3.141 178 HB2 TYR 37 HB2 TYR 37 5.816 7.473 2.191 179 HB3 TYR 37 HB1 TYR 37 5.075 5.928 1.835 180 HD1 TYR 37 HD1 TYR 37 3.156 5.754 3.020 181 HD2 TYR 37 HD2 TYR 37 6.595 7.288 4.990 182 HE1 TYR 37 HE1 TYR 37 1.881 5.871 5.106 183 HE2 TYR 37 HE2 TYR 37 5.335 7.403 7.102 184 HH TYR 37 HH TYR 37 3.017 7.553 7.852 185 H VAL 38 HN VAL 38 6.972 3.589 1.258 186 HA VAL 38 HA VAL 38 5.976 1.743 3.016 187 HB VAL 38 HB VAL 38 8.165 1.262 0.988 188 HG11 VAL 38 HG11 VAL 38 6.308 -0.703 2.328 189 HG12 VAL 38 HG12 VAL 38 8.048 -0.576 2.576 190 HG13 VAL 38 HG13 VAL 38 7.416 -1.076 1.010 191 HG21 VAL 38 HG21 VAL 38 5.173 1.013 0.779 192 HG22 VAL 38 HG22 VAL 38 6.329 0.538 -0.465 193 HG23 VAL 38 HG23 VAL 38 6.183 2.232 0.001 194 H ARG 39 HN ARG 39 9.428 2.554 2.617 195 HA ARG 39 HA ARG 39 10.487 0.793 4.484 196 HB2 ARG 39 HB2 ARG 39 11.365 3.430 3.415 197 HB3 ARG 39 HB1 ARG 39 12.196 2.803 4.831 198 HG2 ARG 39 HG2 ARG 39 13.458 2.117 2.973 199 HG3 ARG 39 HG1 ARG 39 12.584 0.686 3.519 200 HD2 ARG 39 HD2 ARG 39 12.421 0.703 1.167 201 HD3 ARG 39 HD1 ARG 39 10.852 1.232 1.768 202 HE ARG 39 HE ARG 39 11.787 3.574 1.325 203 HH11 ARG 39 HH11 ARG 39 12.612 0.730 -0.549 204 HH12 ARG 39 HH12 ARG 39 12.966 1.631 -1.992 205 HH21 ARG 39 HH21 ARG 39 12.287 4.756 -0.565 206 HH22 ARG 39 HH22 ARG 39 12.811 3.914 -1.996 207 H ASN 40 HN ASN 40 8.857 3.845 5.011 208 HA ASN 40 HA ASN 40 9.587 3.913 7.815 209 HB2 ASN 40 HB2 ASN 40 9.448 6.004 6.476 210 HB3 ASN 40 HB1 ASN 40 7.717 5.737 6.291 211 HD21 ASN 40 HD21 ASN 40 7.263 7.699 7.318 212 HD22 ASN 40 HD22 ASN 40 7.417 7.884 9.031 213 H ASN 41 HN ASN 41 6.804 3.030 5.848 214 HA ASN 41 HA ASN 41 5.288 2.549 8.332 215 HB2 ASN 41 HB2 ASN 41 3.282 3.091 7.277 216 HB3 ASN 41 HB1 ASN 41 4.397 4.260 6.595 217 HD21 ASN 41 HD21 ASN 41 5.257 3.766 4.443 218 HD22 ASN 41 HD22 ASN 41 4.248 2.907 3.332 219 H ALA 42 HN ALA 42 7.155 0.681 7.379 220 HA ALA 42 HA ALA 42 6.228 -1.291 5.664 221 HB1 ALA 42 HB1 ALA 42 7.825 -2.781 6.721 222 HB2 ALA 42 HB2 ALA 42 7.967 -1.682 8.095 223 HB3 ALA 42 HB3 ALA 42 8.523 -1.176 6.498 224 H SER 43 HN SER 43 5.377 -0.696 9.001 225 HA SER 43 HA SER 43 4.150 -3.225 9.472 226 HB2 SER 43 HB2 SER 43 3.699 -0.598 10.903 227 HB3 SER 43 HB1 SER 43 3.259 -2.200 11.495 228 HG SER 43 HG SER 43 5.814 -1.044 11.192 229 H LEU 44 HN LEU 44 3.012 -0.130 8.213 230 HA LEU 44 HA LEU 44 0.246 -0.814 8.275 231 HB2 LEU 44 HB2 LEU 44 1.754 1.223 6.625 232 HB3 LEU 44 HB1 LEU 44 0.015 1.027 6.553 233 HG LEU 44 HG LEU 44 1.620 1.891 8.959 234 HD11 LEU 44 HD11 LEU 44 1.337 3.601 7.216 235 HD12 LEU 44 HD12 LEU 44 0.455 4.000 8.688 236 HD13 LEU 44 HD13 LEU 44 -0.409 3.368 7.287 237 HD21 LEU 44 HD21 LEU 44 -0.588 2.222 10.023 238 HD22 LEU 44 HD22 LEU 44 -0.226 0.529 9.701 239 HD23 LEU 44 HD23 LEU 44 -1.340 1.407 8.654 240 H VAL 45 HN VAL 45 2.751 -0.932 5.773 241 HA VAL 45 HA VAL 45 1.137 -2.012 3.741 242 HB VAL 45 HB VAL 45 4.084 -2.565 4.063 243 HG11 VAL 45 HG11 VAL 45 2.972 -3.832 2.310 244 HG12 VAL 45 HG12 VAL 45 4.063 -2.632 1.619 245 HG13 VAL 45 HG13 VAL 45 2.325 -2.341 1.627 246 HG21 VAL 45 HG21 VAL 45 3.799 -0.196 4.343 247 HG22 VAL 45 HG22 VAL 45 2.730 -0.118 2.942 248 HG23 VAL 45 HG23 VAL 45 4.435 -0.503 2.728 249 H ALA 46 HN ALA 46 2.799 -3.500 6.437 250 HA ALA 46 HA ALA 46 2.767 -6.173 5.601 251 HB1 ALA 46 HB1 ALA 46 2.535 -5.112 8.416 252 HB2 ALA 46 HB2 ALA 46 4.039 -5.378 7.537 253 HB3 ALA 46 HB3 ALA 46 3.010 -6.746 7.955 254 H GLU 47 HN GLU 47 0.243 -4.160 6.908 255 HA GLU 47 HA GLU 47 -1.611 -6.101 7.691 256 HB2 GLU 47 HB2 GLU 47 -2.087 -3.369 6.497 257 HB3 GLU 47 HB1 GLU 47 -3.313 -4.344 7.289 258 HG2 GLU 47 HG2 GLU 47 -0.823 -3.230 8.559 259 HG3 GLU 47 HG1 GLU 47 -2.467 -2.636 8.784 260 H ALA 48 HN ALA 48 -0.696 -4.927 4.571 261 HA ALA 48 HA ALA 48 -2.853 -5.699 2.993 262 HB1 ALA 48 HB1 ALA 48 0.040 -5.827 2.194 263 HB2 ALA 48 HB2 ALA 48 -0.897 -4.338 2.279 264 HB3 ALA 48 HB3 ALA 48 -1.357 -5.605 1.141 265 H ALA 49 HN ALA 49 -0.230 -7.617 4.315 266 HA ALA 49 HA ALA 49 -0.574 -9.907 2.712 267 HB1 ALA 49 HB1 ALA 49 1.411 -9.561 4.083 268 HB2 ALA 49 HB2 ALA 49 0.641 -11.099 4.470 269 HB3 ALA 49 HB3 ALA 49 0.440 -9.717 5.546 270 H SER 50 HN SER 50 -2.244 -8.694 5.509 271 HA SER 50 HA SER 50 -3.751 -11.071 6.015 272 HB2 SER 50 HB2 SER 50 -4.357 -8.225 6.844 273 HB3 SER 50 HB1 SER 50 -5.013 -9.696 7.562 274 HG SER 50 HG SER 50 -2.532 -10.113 7.780 275 H ARG 51 HN ARG 51 -4.283 -8.084 4.156 276 HA ARG 51 HA ARG 51 -6.959 -8.719 3.420 277 HB2 ARG 51 HB2 ARG 51 -4.919 -6.747 2.513 278 HB3 ARG 51 HB1 ARG 51 -6.266 -7.082 1.440 279 HG2 ARG 51 HG2 ARG 51 -6.745 -5.138 2.777 280 HG3 ARG 51 HG1 ARG 51 -7.831 -6.449 3.226 281 HD2 ARG 51 HD2 ARG 51 -5.301 -6.057 4.758 282 HD3 ARG 51 HD1 ARG 51 -6.663 -4.979 5.058 283 HE ARG 51 HE ARG 51 -7.581 -7.631 5.148 284 HH11 ARG 51 HH11 ARG 51 -5.509 -5.467 6.947 285 HH12 ARG 51 HH12 ARG 51 -5.848 -6.198 8.481 286 HH21 ARG 51 HH21 ARG 51 -8.010 -8.628 7.165 287 HH22 ARG 51 HH22 ARG 51 -7.255 -8.011 8.601 288 H GLY 52 HN GLY 52 -3.795 -9.405 2.028 289 HA2 GLY 52 HA2 GLY 52 -3.507 -11.599 1.104 290 HA3 GLY 52 HA1 GLY 52 -5.154 -11.526 0.512 291 H HIS 53 HN HIS 53 -3.306 -8.658 -0.043 292 HA HIS 53 HA HIS 53 -2.311 -9.654 -2.586 293 HB2 HIS 53 HB2 HIS 53 -4.619 -7.839 -2.354 294 HB3 HIS 53 HB1 HIS 53 -3.395 -7.364 -3.528 295 HD1 HIS 53 HD1 HIS 53 -6.072 -9.872 -2.916 296 HD2 HIS 53 HD2 HIS 53 -3.069 -9.146 -5.699 297 HE1 HIS 53 HE1 HIS 53 -6.605 -11.343 -4.882 298 HE2 HIS 53 HE2 HIS 53 -4.674 -11.025 -6.466 299 H ILE 54 HN ILE 54 -0.373 -8.963 -2.921 300 HA ILE 54 HA ILE 54 0.376 -6.221 -2.748 301 HB ILE 54 HB ILE 54 2.505 -7.146 -1.315 302 HG12 ILE 54 HG12 ILE 54 0.030 -8.290 -0.002 303 HG13 ILE 54 HG11 ILE 54 1.344 -9.224 -0.709 304 HG21 ILE 54 HG21 ILE 54 0.083 -5.691 -0.295 305 HG22 ILE 54 HG22 ILE 54 1.502 -4.984 -1.065 306 HG23 ILE 54 HG23 ILE 54 1.648 -5.753 0.516 307 HD11 ILE 54 HD11 ILE 54 1.541 -9.161 1.695 308 HD12 ILE 54 HD12 ILE 54 1.545 -7.397 1.671 309 HD13 ILE 54 HD13 ILE 54 2.883 -8.293 0.951 310 H SER 55 HN SER 55 2.704 -5.946 -3.385 311 HA SER 55 HA SER 55 3.865 -8.283 -4.682 312 HB2 SER 55 HB2 SER 55 2.543 -7.035 -6.402 313 HB3 SER 55 HB1 SER 55 3.544 -5.619 -6.086 314 HG SER 55 HG SER 55 4.706 -8.090 -6.794 315 H CYS 56 HN CYS 56 6.007 -8.411 -4.291 316 HA CYS 56 HA CYS 56 7.144 -6.220 -2.705 317 HB2 CYS 56 HB2 CYS 56 7.018 -8.485 -1.694 318 HB3 CYS 56 HB1 CYS 56 8.065 -9.090 -2.973 319 HG CYS 56 HG CYS 56 9.786 -8.949 -0.921 320 H ALA 57 HN ALA 57 9.104 -5.300 -3.159 321 HA ALA 57 HA ALA 57 10.324 -6.015 -5.732 322 HB1 ALA 57 HB1 ALA 57 10.667 -3.504 -4.099 323 HB2 ALA 57 HB2 ALA 57 9.642 -3.678 -5.522 324 HB3 ALA 57 HB3 ALA 57 11.393 -3.825 -5.674 325 H THR 58 HN THR 58 11.427 -4.807 -2.542 326 HA THR 58 HA THR 58 13.172 -7.083 -2.291 327 HB THR 58 HB THR 58 14.591 -4.526 -1.811 328 HG1 THR 58 HG1 THR 58 15.270 -4.487 -3.996 329 HG21 THR 58 HG21 THR 58 15.600 -6.654 -1.167 330 HG22 THR 58 HG22 THR 58 16.523 -5.888 -2.460 331 HG23 THR 58 HG23 THR 58 15.447 -7.237 -2.825 332 H THR 59 HN THR 59 12.142 -4.041 -0.974 333 HA THR 59 HA THR 59 11.621 -3.286 1.087 334 HB THR 59 HB THR 59 11.120 -6.130 1.929 335 HG1 THR 59 HG1 THR 59 9.606 -6.279 0.445 336 HG21 THR 59 HG21 THR 59 9.260 -5.126 3.144 337 HG22 THR 59 HG22 THR 59 9.625 -3.548 2.449 338 HG23 THR 59 HG23 THR 59 10.758 -4.302 3.570 339 H SER 60 HN SER 60 14.418 -4.279 0.556 340 HA SER 60 HA SER 60 15.333 -4.947 3.228 341 HB2 SER 60 HB2 SER 60 17.596 -4.968 2.040 342 HB3 SER 60 HB1 SER 60 16.424 -6.176 1.511 343 HG SER 60 HG SER 60 17.573 -4.890 -0.167 344 H GLY 61 HN GLY 61 16.175 -2.537 0.776 345 HA2 GLY 61 HA2 GLY 61 16.339 -0.503 2.892 346 HA3 GLY 61 HA1 GLY 61 17.689 -0.704 1.780 347 H ARG 62 HN ARG 62 17.241 1.582 1.267 348 HA ARG 62 HA ARG 62 14.772 2.176 -0.100 349 HB2 ARG 62 HB2 ARG 62 17.272 3.787 0.395 350 HB3 ARG 62 HB1 ARG 62 15.908 4.400 -0.527 351 HG2 ARG 62 HG2 ARG 62 14.457 4.112 1.411 352 HG3 ARG 62 HG1 ARG 62 15.819 3.488 2.339 353 HD2 ARG 62 HD2 ARG 62 15.705 6.230 1.096 354 HD3 ARG 62 HD1 ARG 62 15.313 5.880 2.777 355 HE ARG 62 HE ARG 62 17.772 4.888 2.629 356 HH11 ARG 62 HH11 ARG 62 16.493 7.913 1.417 357 HH12 ARG 62 HH12 ARG 62 17.987 8.772 1.610 358 HH21 ARG 62 HH21 ARG 62 19.741 6.021 2.900 359 HH22 ARG 62 HH22 ARG 62 19.835 7.693 2.452 360 H ASN 63 HN ASN 63 17.540 0.615 -0.995 361 HA ASN 63 HA ASN 63 17.812 1.663 -3.663 362 HB2 ASN 63 HB2 ASN 63 19.436 -0.187 -3.977 363 HB3 ASN 63 HB1 ASN 63 19.791 0.785 -2.557 364 HD21 ASN 63 HD21 ASN 63 20.467 -2.001 -3.309 365 HD22 ASN 63 HD22 ASN 63 19.933 -2.972 -1.982 366 H GLY 64 HN GLY 64 15.277 1.169 -3.678 367 HA2 GLY 64 HA2 GLY 64 13.838 0.151 -5.229 368 HA3 GLY 64 HA1 GLY 64 15.026 -1.121 -5.465 369 H GLY 65 HN GLY 65 14.980 -1.019 -2.295 370 HA2 GLY 65 HA2 GLY 65 13.248 -3.315 -2.104 371 HA3 GLY 65 HA1 GLY 65 14.183 -2.590 -0.797 372 H ALA 66 HN ALA 66 11.269 -2.208 -2.736 373 HA ALA 66 HA ALA 66 9.911 -1.187 -0.340 374 HB1 ALA 66 HB1 ALA 66 10.394 0.731 -1.782 375 HB2 ALA 66 HB2 ALA 66 8.661 0.411 -1.709 376 HB3 ALA 66 HB3 ALA 66 9.588 -0.073 -3.129 377 H TRP 67 HN TRP 67 7.475 -1.329 -0.647 378 HA TRP 67 HA TRP 67 6.788 -3.768 -2.137 379 HB2 TRP 67 HB2 TRP 67 5.443 -2.295 0.118 380 HB3 TRP 67 HB1 TRP 67 4.548 -3.437 -0.872 381 HD1 TRP 67 HD1 TRP 67 7.190 -3.266 1.862 382 HE1 TRP 67 HE1 TRP 67 7.544 -5.629 2.825 383 HE3 TRP 67 HE3 TRP 67 4.451 -5.958 -1.526 384 HZ2 TRP 67 HZ2 TRP 67 6.772 -8.267 2.233 385 HZ3 TRP 67 HZ3 TRP 67 4.313 -8.395 -1.247 386 HH2 TRP 67 HH2 TRP 67 5.447 -9.525 0.590 387 H GLU 68 HN GLU 68 4.809 -3.752 -3.421 388 HA GLU 68 HA GLU 68 3.660 -1.134 -3.989 389 HB2 GLU 68 HB2 GLU 68 3.800 -1.356 -6.368 390 HB3 GLU 68 HB1 GLU 68 5.419 -1.547 -5.715 391 HG2 GLU 68 HG2 GLU 68 5.246 -3.962 -5.962 392 HG3 GLU 68 HG1 GLU 68 3.605 -3.776 -6.585 393 H ILE 69 HN ILE 69 1.663 -1.470 -5.437 394 HA ILE 69 HA ILE 69 0.197 -3.700 -4.207 395 HB ILE 69 HB ILE 69 -0.524 -1.348 -3.725 396 HG12 ILE 69 HG12 ILE 69 -2.496 -3.132 -5.168 397 HG13 ILE 69 HG11 ILE 69 -2.089 -3.195 -3.457 398 HG21 ILE 69 HG21 ILE 69 -1.762 -0.147 -5.489 399 HG22 ILE 69 HG22 ILE 69 -1.247 -1.370 -6.648 400 HG23 ILE 69 HG23 ILE 69 -0.050 -0.340 -5.863 401 HD11 ILE 69 HD11 ILE 69 -4.205 -2.112 -3.738 402 HD12 ILE 69 HD12 ILE 69 -3.516 -0.974 -4.894 403 HD13 ILE 69 HD13 ILE 69 -3.020 -0.922 -3.201 404 H THR 70 HN THR 70 -1.284 -4.916 -5.458 405 HA THR 70 HA THR 70 -0.755 -5.009 -8.303 406 HB THR 70 HB THR 70 -2.359 -6.915 -8.289 407 HG1 THR 70 HG1 THR 70 -3.727 -6.832 -6.659 408 HG21 THR 70 HG21 THR 70 -0.960 -8.455 -6.989 409 HG22 THR 70 HG22 THR 70 -0.196 -7.084 -6.183 410 HG23 THR 70 HG23 THR 70 0.027 -7.324 -7.916 411 H ALA 71 HN ALA 71 -2.630 -4.910 -9.860 412 HA ALA 71 HA ALA 71 -3.951 -2.464 -9.575 413 HB1 ALA 71 HB1 ALA 71 -5.205 -3.054 -11.567 414 HB2 ALA 71 HB2 ALA 71 -4.717 -4.741 -11.394 415 HB3 ALA 71 HB3 ALA 71 -3.508 -3.506 -11.745 416 H SER 72 HN SER 72 -4.969 -5.708 -8.802 417 HA SER 72 HA SER 72 -7.723 -5.204 -8.460 418 HB2 SER 72 HB2 SER 72 -7.587 -7.376 -7.123 419 HB3 SER 72 HB1 SER 72 -7.048 -7.444 -8.798 420 HG SER 72 HG SER 72 -5.280 -8.222 -7.977 421 H GLY 73 HN GLY 73 -5.000 -4.548 -6.417 422 HA2 GLY 73 HA2 GLY 73 -6.109 -5.062 -3.892 423 HA3 GLY 73 HA1 GLY 73 -4.771 -3.975 -4.217 424 H THR 74 HN THR 74 -5.928 -2.051 -5.741 425 HA THR 74 HA THR 74 -6.921 -0.292 -3.851 426 HB THR 74 HB THR 74 -7.358 -0.136 -6.839 427 HG1 THR 74 HG1 THR 74 -5.254 1.279 -6.049 428 HG21 THR 74 HG21 THR 74 -7.175 2.318 -6.434 429 HG22 THR 74 HG22 THR 74 -7.181 1.991 -4.699 430 HG23 THR 74 HG23 THR 74 -8.589 1.579 -5.677 431 H ARG 75 HN ARG 75 -8.653 -2.612 -5.787 432 HA ARG 75 HA ARG 75 -11.151 -1.218 -5.716 433 HB2 ARG 75 HB2 ARG 75 -10.589 -4.110 -6.387 434 HB3 ARG 75 HB1 ARG 75 -12.061 -3.222 -6.765 435 HG2 ARG 75 HG2 ARG 75 -10.879 -1.793 -8.286 436 HG3 ARG 75 HG1 ARG 75 -9.333 -2.498 -7.814 437 HD2 ARG 75 HD2 ARG 75 -10.139 -4.686 -8.669 438 HD3 ARG 75 HD1 ARG 75 -11.593 -3.880 -9.252 439 HE ARG 75 HE ARG 75 -9.678 -2.430 -10.423 440 HH11 ARG 75 HH11 ARG 75 -10.085 -5.898 -10.170 441 HH12 ARG 75 HH12 ARG 75 -9.317 -6.229 -11.690 442 HH21 ARG 75 HH21 ARG 75 -8.650 -2.858 -12.418 443 HH22 ARG 75 HH22 ARG 75 -8.481 -4.499 -12.960 444 H PHE 76 HN PHE 76 -10.103 -4.299 -4.173 445 HA PHE 76 HA PHE 76 -12.440 -4.284 -2.513 446 HB2 PHE 76 HB2 PHE 76 -11.182 -6.235 -1.343 447 HB3 PHE 76 HB1 PHE 76 -11.869 -6.445 -2.938 448 HD1 PHE 76 HD1 PHE 76 -8.667 -5.684 -1.207 449 HD2 PHE 76 HD2 PHE 76 -10.590 -7.232 -4.671 450 HE1 PHE 76 HE1 PHE 76 -6.501 -6.496 -2.042 451 HE2 PHE 76 HE2 PHE 76 -8.430 -8.044 -5.510 452 HZ PHE 76 HZ PHE 76 -6.383 -7.677 -4.203 453 H LEU 77 HN LEU 77 -9.015 -3.711 -1.886 454 HA LEU 77 HA LEU 77 -9.362 -3.612 0.934 455 HB2 LEU 77 HB2 LEU 77 -7.130 -3.749 0.938 456 HB3 LEU 77 HB1 LEU 77 -7.229 -3.822 -0.811 457 HG LEU 77 HG LEU 77 -7.249 -1.122 -0.379 458 HD11 LEU 77 HD11 LEU 77 -6.846 -1.356 1.985 459 HD12 LEU 77 HD12 LEU 77 -5.425 -0.673 1.192 460 HD13 LEU 77 HD13 LEU 77 -5.437 -2.369 1.673 461 HD21 LEU 77 HD21 LEU 77 -5.916 -2.429 -2.016 462 HD22 LEU 77 HD22 LEU 77 -4.774 -2.804 -0.725 463 HD23 LEU 77 HD23 LEU 77 -5.015 -1.130 -1.236 464 H LYS 78 HN LYS 78 -8.933 -1.057 -1.490 465 HA LYS 78 HA LYS 78 -8.844 1.006 0.464 466 HB2 LYS 78 HB2 LYS 78 -7.771 1.060 -1.813 467 HB3 LYS 78 HB1 LYS 78 -9.367 1.353 -2.479 468 HG2 LYS 78 HG2 LYS 78 -8.514 3.151 -0.299 469 HG3 LYS 78 HG1 LYS 78 -7.641 3.297 -1.822 470 HD2 LYS 78 HD2 LYS 78 -10.612 3.571 -1.396 471 HD3 LYS 78 HD1 LYS 78 -9.470 4.850 -1.808 472 HE2 LYS 78 HE2 LYS 78 -8.965 3.479 -3.905 473 HE3 LYS 78 HE1 LYS 78 -10.423 2.570 -3.515 474 HZ1 LYS 78 HZ1 LYS 78 -10.971 4.293 -5.044 475 HZ2 LYS 78 HZ2 LYS 78 -10.243 5.472 -4.081 476 HZ3 LYS 78 HZ3 LYS 78 -11.646 4.695 -3.548 477 H ARG 79 HN ARG 79 -11.418 -0.553 -1.236 478 HA ARG 79 HA ARG 79 -13.378 1.406 -1.301 479 HB2 ARG 79 HB2 ARG 79 -14.947 -0.293 -1.632 480 HB3 ARG 79 HB1 ARG 79 -13.448 -0.998 -2.219 481 HG2 ARG 79 HG2 ARG 79 -13.197 -2.125 -0.011 482 HG3 ARG 79 HG1 ARG 79 -14.801 -1.527 0.414 483 HD2 ARG 79 HD2 ARG 79 -14.160 -3.306 -1.934 484 HD3 ARG 79 HD1 ARG 79 -14.847 -3.845 -0.405 485 HE ARG 79 HE ARG 79 -16.436 -1.804 -1.575 486 HH11 ARG 79 HH11 ARG 79 -15.667 -5.213 -1.784 487 HH12 ARG 79 HH12 ARG 79 -17.175 -5.643 -2.523 488 HH21 ARG 79 HH21 ARG 79 -18.432 -2.367 -2.562 489 HH22 ARG 79 HH22 ARG 79 -18.740 -4.023 -2.983 490 H MET 80 HN MET 80 -11.998 -0.107 1.457 491 HA MET 80 HA MET 80 -14.187 0.283 3.257 492 HB2 MET 80 HB2 MET 80 -11.239 -0.008 3.863 493 HB3 MET 80 HB1 MET 80 -12.548 -0.163 5.024 494 HG2 MET 80 HG2 MET 80 -12.067 -1.954 2.655 495 HG3 MET 80 HG1 MET 80 -11.698 -2.334 4.336 496 HE1 MET 80 HE1 MET 80 -14.231 -1.178 5.893 497 HE2 MET 80 HE2 MET 80 -13.487 -2.749 6.190 498 HE3 MET 80 HE3 MET 80 -15.229 -2.631 5.945 499 H GLY 81 HN GLY 81 -12.973 2.585 1.581 500 HA2 GLY 81 HA2 GLY 81 -13.728 4.813 2.181 501 HA3 GLY 81 HA1 GLY 81 -13.085 4.529 3.791 502 H GLY 82 HN GLY 82 -10.607 3.382 3.001 503 HA2 GLY 82 HA2 GLY 82 -8.492 3.959 2.318 504 HA3 GLY 82 HA1 GLY 82 -9.233 5.056 1.168 505 H CYS 83 HN CYS 83 -7.592 4.758 4.176 506 HA CYS 83 HA CYS 83 -6.661 6.259 5.577 507 HB2 CYS 83 HB2 CYS 83 -5.991 7.165 3.257 508 HB3 CYS 83 HB1 CYS 83 -7.187 8.419 3.555 509 HG CYS 83 HG CYS 83 -5.781 8.919 6.152 510 H VAL 84 HN VAL 84 -9.712 5.995 5.385 511 HA VAL 84 HA VAL 84 -10.213 8.169 7.269 512 HB VAL 84 HB VAL 84 -11.249 8.955 5.232 513 HG11 VAL 84 HG11 VAL 84 -13.031 7.719 4.100 514 HG12 VAL 84 HG12 VAL 84 -12.753 6.345 5.170 515 HG13 VAL 84 HG13 VAL 84 -11.496 6.852 4.043 516 HG21 VAL 84 HG21 VAL 84 -13.563 9.205 5.980 517 HG22 VAL 84 HG22 VAL 84 -12.432 9.394 7.320 518 HG23 VAL 84 HG23 VAL 84 -13.334 7.892 7.134
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