NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
597809 | 2mz8 | 25476 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.399 -0.142 -2.057 3 HB2 MET 1 HB2 MET 1 3.081 1.724 -0.454 4 HB3 MET 1 HB3 MET 1 3.708 1.176 -2.003 5 HG2 MET 1 HG2 MET 1 0.997 2.428 -1.668 6 HG3 MET 1 HG3 MET 1 2.455 3.345 -2.039 7 HE1 MET 1 HE1 MET 1 3.210 2.678 -5.651 8 HE2 MET 1 HE2 MET 1 3.312 3.777 -4.276 9 HE3 MET 1 HE3 MET 1 4.100 2.200 -4.205 10 H THR 2 H THR 2 1.779 -2.352 -2.131 11 HA THR 2 HA THR 2 4.088 -3.539 -0.914 12 HB THR 2 HB THR 2 3.447 -5.572 -2.181 13 HG1 THR 2 HG1 THR 2 1.190 -4.116 -3.096 14 HG21 THR 2 HG21 THR 2 0.817 -4.855 -1.183 15 HG22 THR 2 HG22 THR 2 2.100 -4.364 -0.078 16 HG23 THR 2 HG23 THR 2 1.964 -6.049 -0.578 17 H LEU 3 H LEU 3 5.812 -4.603 -2.072 18 HA LEU 3 HA LEU 3 6.658 -3.045 -4.397 19 HB2 LEU 3 HB2 LEU 3 8.826 -4.448 -3.894 20 HB3 LEU 3 HB3 LEU 3 8.419 -3.011 -2.960 21 HG LEU 3 HG LEU 3 7.514 -5.664 -1.952 22 HD11 LEU 3 HD11 LEU 3 10.191 -4.781 -1.085 23 HD12 LEU 3 HD12 LEU 3 10.089 -5.498 -2.693 24 HD13 LEU 3 HD13 LEU 3 9.537 -6.407 -1.286 25 HD21 LEU 3 HD21 LEU 3 8.588 -4.103 0.074 26 HD22 LEU 3 HD22 LEU 3 6.879 -4.291 -0.319 27 HD23 LEU 3 HD23 LEU 3 7.798 -2.946 -0.998 28 HA PRO 4 HA PRO 4 6.216 -6.279 -7.329 29 HB2 PRO 4 HB2 PRO 4 8.464 -6.030 -8.829 30 HB3 PRO 4 HB3 PRO 4 7.135 -4.867 -8.890 31 HG2 PRO 4 HG2 PRO 4 9.730 -4.702 -7.406 32 HG3 PRO 4 HG3 PRO 4 8.892 -3.447 -8.337 33 HD2 PRO 4 HD2 PRO 4 8.784 -3.572 -5.634 34 HD3 PRO 4 HD3 PRO 4 7.435 -2.966 -6.616 35 H SER 5 H SER 5 8.890 -6.286 -5.179 36 HA SER 5 HA SER 5 10.241 -8.605 -5.999 37 HB2 SER 5 HB2 SER 5 11.473 -8.362 -4.088 38 HB3 SER 5 HB3 SER 5 10.714 -6.770 -4.096 39 HG SER 5 HG SER 5 10.566 -7.929 -2.068 40 H GLY 6 H GLY 6 7.221 -8.163 -4.383 41 HA2 GLY 6 HA2 GLY 6 5.639 -10.000 -4.441 42 HA3 GLY 6 HA3 GLY 6 6.981 -11.093 -4.136 43 H HIS 7 H HIS 7 8.069 -9.176 -2.101 44 HA HIS 7 HA HIS 7 6.529 -10.209 0.128 45 HB2 HIS 7 HB2 HIS 7 8.967 -8.441 0.289 46 HB3 HIS 7 HB3 HIS 7 8.350 -9.550 1.510 47 HD1 HIS 7 HD1 HIS 7 8.287 -12.191 0.432 48 HD2 HIS 7 HD2 HIS 7 11.121 -9.481 -0.943 49 HE1 HIS 7 HE1 HIS 7 10.114 -13.587 -0.587 50 HA PRO 8 HA PRO 8 4.233 -6.575 1.020 51 HB2 PRO 8 HB2 PRO 8 4.060 -6.733 3.725 52 HB3 PRO 8 HB3 PRO 8 3.162 -7.802 2.641 53 HG2 PRO 8 HG2 PRO 8 5.712 -8.314 4.123 54 HG3 PRO 8 HG3 PRO 8 4.311 -9.379 3.907 55 HD2 PRO 8 HD2 PRO 8 6.571 -9.629 2.437 56 HD3 PRO 8 HD3 PRO 8 4.964 -10.017 1.790 57 H LYS 9 H LYS 9 4.781 -4.493 1.114 58 HA LYS 9 HA LYS 9 7.363 -3.621 1.819 59 HB2 LYS 9 HB2 LYS 9 5.683 -2.509 0.243 60 HB3 LYS 9 HB3 LYS 9 4.930 -1.845 1.687 61 HG2 LYS 9 HG2 LYS 9 7.350 -1.011 2.210 62 HG3 LYS 9 HG3 LYS 9 7.578 -1.225 0.472 63 HD2 LYS 9 HD2 LYS 9 6.023 0.406 -0.063 64 HD3 LYS 9 HD3 LYS 9 5.199 0.273 1.493 65 HE2 LYS 9 HE2 LYS 9 6.318 2.261 1.757 66 HE3 LYS 9 HE3 LYS 9 7.485 1.127 2.436 67 HZ1 LYS 9 HZ1 LYS 9 8.737 2.456 1.025 68 HZ2 LYS 9 HZ2 LYS 9 7.553 2.490 -0.181 69 HZ3 LYS 9 HZ3 LYS 9 8.446 1.079 0.086 70 H SER 10 H SER 10 4.482 -4.065 3.670 71 HA SER 10 HA SER 10 5.089 -2.300 5.807 72 HB2 SER 10 HB2 SER 10 3.384 -3.591 7.061 73 HB3 SER 10 HB3 SER 10 2.817 -3.118 5.460 74 HG SER 10 HG SER 10 2.316 -5.273 5.790 75 H ARG 11 H ARG 11 5.789 -5.700 5.182 76 HA ARG 11 HA ARG 11 6.993 -6.129 7.757 77 HB2 ARG 11 HB2 ARG 11 5.872 -7.863 6.179 78 HB3 ARG 11 HB3 ARG 11 7.432 -7.894 5.368 79 HG2 ARG 11 HG2 ARG 11 7.807 -9.575 6.820 80 HG3 ARG 11 HG3 ARG 11 8.255 -8.242 7.886 81 HD2 ARG 11 HD2 ARG 11 6.286 -8.370 9.088 82 HD3 ARG 11 HD3 ARG 11 5.414 -9.153 7.771 83 HE ARG 11 HE ARG 11 7.417 -10.896 8.609 84 HH11 ARG 11 HH11 ARG 11 4.512 -9.448 9.868 85 HH12 ARG 11 HH12 ARG 11 4.160 -10.768 10.933 86 HH21 ARG 11 HH21 ARG 11 6.964 -12.640 10.007 87 HH22 ARG 11 HH22 ARG 11 5.556 -12.583 11.012 88 H LEU 12 H LEU 12 8.157 -5.605 4.454 89 HA LEU 12 HA LEU 12 10.884 -5.977 4.912 90 HB2 LEU 12 HB2 LEU 12 9.229 -4.624 2.886 91 HB3 LEU 12 HB3 LEU 12 10.894 -4.061 3.005 92 HG LEU 12 HG LEU 12 10.667 -5.744 1.268 93 HD11 LEU 12 HD11 LEU 12 12.177 -7.536 2.702 94 HD12 LEU 12 HD12 LEU 12 12.387 -6.031 3.597 95 HD13 LEU 12 HD13 LEU 12 12.781 -6.098 1.880 96 HD21 LEU 12 HD21 LEU 12 10.268 -8.153 2.208 97 HD22 LEU 12 HD22 LEU 12 8.902 -7.120 1.787 98 HD23 LEU 12 HD23 LEU 12 9.390 -7.293 3.473 99 H ILE 13 H ILE 13 8.964 -2.984 5.035 100 HA ILE 13 HA ILE 13 11.075 -1.273 5.748 101 HB ILE 13 HB ILE 13 8.113 -1.041 6.273 102 HG12 ILE 13 HG12 ILE 13 8.885 -1.047 3.895 103 HG13 ILE 13 HG13 ILE 13 8.105 0.455 4.380 104 HG21 ILE 13 HG21 ILE 13 8.645 0.565 7.729 105 HG22 ILE 13 HG22 ILE 13 10.335 0.577 7.227 106 HG23 ILE 13 HG23 ILE 13 9.140 1.509 6.324 107 HD11 ILE 13 HD11 ILE 13 10.066 0.868 3.009 108 HD12 ILE 13 HD12 ILE 13 10.287 1.505 4.639 109 HD13 ILE 13 HD13 ILE 13 11.072 -0.002 4.167 110 H LYS 14 H LYS 14 8.767 -3.092 7.726 111 HA LYS 14 HA LYS 14 9.615 -2.081 10.222 112 HB2 LYS 14 HB2 LYS 14 8.186 -4.615 9.429 113 HB3 LYS 14 HB3 LYS 14 8.540 -4.220 11.105 114 HG2 LYS 14 HG2 LYS 14 7.096 -2.245 9.399 115 HG3 LYS 14 HG3 LYS 14 6.228 -3.623 10.079 116 HD2 LYS 14 HD2 LYS 14 6.672 -2.948 12.288 117 HD3 LYS 14 HD3 LYS 14 7.932 -1.821 11.778 118 HE2 LYS 14 HE2 LYS 14 6.332 -0.328 10.850 119 HE3 LYS 14 HE3 LYS 14 5.036 -1.512 11.013 120 HZ1 LYS 14 HZ1 LYS 14 4.596 -0.646 12.987 121 HZ2 LYS 14 HZ2 LYS 14 5.916 0.406 12.881 122 HZ3 LYS 14 HZ3 LYS 14 6.117 -1.137 13.543 123 H LYS 15 H LYS 15 10.654 -4.828 8.274 124 HA LYS 15 HA LYS 15 12.387 -5.931 10.249 125 HB2 LYS 15 HB2 LYS 15 11.913 -6.366 7.336 126 HB3 LYS 15 HB3 LYS 15 13.405 -6.980 8.035 127 HG2 LYS 15 HG2 LYS 15 11.788 -8.004 9.822 128 HG3 LYS 15 HG3 LYS 15 10.592 -7.810 8.538 129 HD2 LYS 15 HD2 LYS 15 13.075 -8.974 7.574 130 HD3 LYS 15 HD3 LYS 15 12.334 -9.937 8.854 131 HE2 LYS 15 HE2 LYS 15 11.607 -10.547 6.543 132 HE3 LYS 15 HE3 LYS 15 10.291 -10.118 7.635 133 HZ1 LYS 15 HZ1 LYS 15 11.417 -7.958 6.039 134 HZ2 LYS 15 HZ2 LYS 15 9.810 -8.260 6.472 135 HZ3 LYS 15 HZ3 LYS 15 10.519 -9.120 5.200 136 H PHE 16 H PHE 16 12.938 -3.924 7.366 137 HA PHE 16 HA PHE 16 15.716 -3.726 7.582 138 HB2 PHE 16 HB2 PHE 16 13.638 -1.918 6.365 139 HB3 PHE 16 HB3 PHE 16 15.352 -1.519 6.313 140 HD1 PHE 16 HD2 PHE 16 16.613 -4.086 5.820 141 HD2 PHE 16 HD1 PHE 16 13.018 -2.469 4.216 142 HE1 PHE 16 HE2 PHE 16 16.878 -5.492 3.818 143 HE2 PHE 16 HE1 PHE 16 13.277 -3.872 2.211 144 HZ PHE 16 HZ PHE 16 15.209 -5.385 2.010 145 H THR 17 H THR 17 13.206 -2.242 9.412 146 HA THR 17 HA THR 17 14.597 0.036 10.344 147 HB THR 17 HB THR 17 12.351 -1.509 11.655 148 HG1 THR 17 HG1 THR 17 11.230 -0.571 10.132 149 HG21 THR 17 HG21 THR 17 12.002 0.868 12.687 150 HG22 THR 17 HG22 THR 17 13.723 1.055 12.350 151 HG23 THR 17 HG23 THR 17 13.168 -0.242 13.408 152 H ALA 18 H ALA 18 14.807 -3.305 11.136 153 HA ALA 18 HA ALA 18 15.961 -2.924 13.748 154 HB1 ALA 18 HB1 ALA 18 14.682 -4.997 12.669 155 HB2 ALA 18 HB2 ALA 18 16.339 -5.485 12.311 156 HB3 ALA 18 HB3 ALA 18 15.851 -5.178 13.977 157 H LEU 19 H LEU 19 17.096 -2.503 10.647 158 HA LEU 19 HA LEU 19 19.852 -3.238 11.338 159 HB2 LEU 19 HB2 LEU 19 18.732 -2.391 8.672 160 HB3 LEU 19 HB3 LEU 19 20.348 -3.022 8.982 161 HG LEU 19 HG LEU 19 17.742 -4.530 9.130 162 HD11 LEU 19 HD11 LEU 19 20.075 -4.514 7.252 163 HD12 LEU 19 HD12 LEU 19 18.353 -4.407 6.891 164 HD13 LEU 19 HD13 LEU 19 19.048 -5.938 7.420 165 HD21 LEU 19 HD21 LEU 19 19.531 -6.454 9.435 166 HD22 LEU 19 HD22 LEU 19 18.858 -5.587 10.816 167 HD23 LEU 19 HD23 LEU 19 20.448 -5.150 10.189 168 H GLY 20 H GLY 20 17.948 -0.677 11.766 169 HA2 GLY 20 HA2 GLY 20 19.911 1.154 12.365 170 HA3 GLY 20 HA3 GLY 20 19.517 1.452 10.679 171 HA PRO 21 HA PRO 21 16.666 4.129 13.044 172 HB2 PRO 21 HB2 PRO 21 16.588 6.070 11.148 173 HB3 PRO 21 HB3 PRO 21 17.867 5.965 12.363 174 HG2 PRO 21 HG2 PRO 21 17.884 5.059 9.510 175 HG3 PRO 21 HG3 PRO 21 19.146 5.909 10.421 176 HD2 PRO 21 HD2 PRO 21 19.225 3.241 9.968 177 HD3 PRO 21 HD3 PRO 21 19.887 3.979 11.440 178 H TYR 22 H TYR 22 14.543 5.052 12.394 179 HA TYR 22 HA TYR 22 12.953 3.131 11.103 180 HB2 TYR 22 HB2 TYR 22 12.368 6.012 11.805 181 HB3 TYR 22 HB3 TYR 22 11.156 4.872 11.232 182 HD1 TYR 22 HD2 TYR 22 10.408 3.032 12.654 183 HD2 TYR 22 HD1 TYR 22 13.260 5.865 14.048 184 HE1 TYR 22 HE2 TYR 22 10.032 2.267 14.961 185 HE2 TYR 22 HE1 TYR 22 12.893 5.107 16.359 186 HH TYR 22 HH TYR 22 11.948 3.526 17.650 187 H ILE 23 H ILE 23 12.655 2.739 9.020 188 HA ILE 23 HA ILE 23 13.760 4.434 7.001 189 HB ILE 23 HB ILE 23 12.017 1.979 6.778 190 HG12 ILE 23 HG12 ILE 23 14.330 1.127 5.871 191 HG13 ILE 23 HG13 ILE 23 14.971 2.483 6.791 192 HG21 ILE 23 HG21 ILE 23 12.789 1.939 4.409 193 HG22 ILE 23 HG22 ILE 23 11.709 3.279 4.792 194 HG23 ILE 23 HG23 ILE 23 13.444 3.558 4.646 195 HD11 ILE 23 HD11 ILE 23 14.913 0.228 7.939 196 HD12 ILE 23 HD12 ILE 23 14.225 1.589 8.824 197 HD13 ILE 23 HD13 ILE 23 13.164 0.433 8.022 198 H ARG 24 H ARG 24 12.742 5.735 5.528 199 HA ARG 24 HA ARG 24 10.131 6.716 6.289 200 HB2 ARG 24 HB2 ARG 24 12.285 7.596 4.421 201 HB3 ARG 24 HB3 ARG 24 10.651 8.183 4.144 202 HG2 ARG 24 HG2 ARG 24 11.883 8.407 6.855 203 HG3 ARG 24 HG3 ARG 24 12.284 9.571 5.591 204 HD2 ARG 24 HD2 ARG 24 9.882 10.049 5.310 205 HD3 ARG 24 HD3 ARG 24 9.524 8.932 6.626 206 HE ARG 24 HE ARG 24 11.352 10.822 7.565 207 HH11 ARG 24 HH11 ARG 24 8.055 10.662 6.459 208 HH12 ARG 24 HH12 ARG 24 7.527 11.996 7.429 209 HH21 ARG 24 HH21 ARG 24 10.669 12.581 8.848 210 HH22 ARG 24 HH22 ARG 24 9.015 13.088 8.787 211 H GLU 25 H GLU 25 8.651 5.134 5.763 212 HA GLU 25 HA GLU 25 8.547 4.212 2.987 213 HB2 GLU 25 HB2 GLU 25 6.780 2.652 3.865 214 HB3 GLU 25 HB3 GLU 25 8.379 2.429 4.561 215 HG2 GLU 25 HG2 GLU 25 7.600 2.754 6.603 216 HG3 GLU 25 HG3 GLU 25 6.882 4.295 6.137 217 H GLY 26 H GLY 26 7.182 5.076 1.570 218 HA2 GLY 26 HA2 GLY 26 4.568 5.999 2.347 219 HA3 GLY 26 HA3 GLY 26 5.662 7.305 1.917 220 H GLN 27 H GLN 27 4.343 7.867 0.144 221 HA GLN 27 HA GLN 27 3.962 5.917 -1.972 222 HB2 GLN 27 HB2 GLN 27 2.608 7.566 -3.047 223 HB3 GLN 27 HB3 GLN 27 2.200 7.588 -1.337 224 HG2 GLN 27 HG2 GLN 27 3.976 9.497 -1.236 225 HG3 GLN 27 HG3 GLN 27 3.654 9.613 -2.965 226 HE21 GLN 27 HE21 GLN 27 3.093 11.784 -1.624 227 HE22 GLN 27 HE22 GLN 27 1.396 11.980 -1.367 228 H CYS 28 H CYS 28 4.914 5.970 -3.981 229 HA CYS 28 HA CYS 28 6.539 8.057 -4.950 230 HB2 CYS 28 HB2 CYS 28 7.933 7.099 -3.009 231 HB3 CYS 28 HB3 CYS 28 8.173 5.696 -4.043 232 HG CYS 28 HG CYS 28 9.075 7.688 -6.133 233 H GLU 29 H GLU 29 6.997 7.766 -7.081 234 HA GLU 29 HA GLU 29 5.683 5.695 -8.473 235 HB2 GLU 29 HB2 GLU 29 6.852 6.604 -10.474 236 HB3 GLU 29 HB3 GLU 29 6.015 7.830 -9.532 237 HG2 GLU 29 HG2 GLU 29 8.140 8.476 -8.500 238 HG3 GLU 29 HG3 GLU 29 8.971 7.267 -9.477 239 H ASP 30 H ASP 30 9.062 6.196 -7.586 240 HA ASP 30 HA ASP 30 9.903 3.773 -8.934 241 HB2 ASP 30 HB2 ASP 30 11.249 6.015 -7.524 242 HB3 ASP 30 HB3 ASP 30 12.079 4.462 -7.525 243 H ASN 31 H ASN 31 10.647 1.902 -7.938 244 HA ASN 31 HA ASN 31 9.709 1.542 -5.176 245 HB2 ASN 31 HB2 ASN 31 10.363 -0.654 -7.141 246 HB3 ASN 31 HB3 ASN 31 9.424 -0.773 -5.655 247 HD21 ASN 31 HD21 ASN 31 7.311 0.010 -5.615 248 HD22 ASN 31 HD22 ASN 31 6.424 0.311 -7.067 249 H ARG 32 H ARG 32 11.679 2.533 -4.371 250 HA ARG 32 HA ARG 32 13.831 0.560 -4.150 251 HB2 ARG 32 HB2 ARG 32 14.370 3.491 -4.637 252 HB3 ARG 32 HB3 ARG 32 15.556 2.198 -4.513 253 HG2 ARG 32 HG2 ARG 32 14.887 1.267 -6.588 254 HG3 ARG 32 HG3 ARG 32 13.461 2.304 -6.665 255 HD2 ARG 32 HD2 ARG 32 14.834 3.480 -8.048 256 HD3 ARG 32 HD3 ARG 32 15.302 4.205 -6.510 257 HE ARG 32 HE ARG 32 17.370 3.250 -6.729 258 HH11 ARG 32 HH11 ARG 32 15.168 1.730 -8.956 259 HH12 ARG 32 HH12 ARG 32 16.405 0.826 -9.766 260 HH21 ARG 32 HH21 ARG 32 19.008 2.066 -7.787 261 HH22 ARG 32 HH22 ARG 32 18.589 1.018 -9.100 262 H PHE 33 H PHE 33 15.147 0.807 -2.263 263 HA PHE 33 HA PHE 33 13.745 2.232 -0.108 264 HB2 PHE 33 HB2 PHE 33 15.603 -0.151 -0.040 265 HB3 PHE 33 HB3 PHE 33 15.018 0.671 1.403 266 HD1 PHE 33 HD1 PHE 33 12.535 0.731 1.833 267 HD2 PHE 33 HD2 PHE 33 14.310 -1.775 -1.115 268 HE1 PHE 33 HE1 PHE 33 10.513 -0.671 1.812 269 HE2 PHE 33 HE2 PHE 33 12.290 -3.180 -1.141 270 HZ PHE 33 HZ PHE 33 10.388 -2.628 0.322 271 H PHE 34 H PHE 34 14.619 4.140 0.341 272 HA PHE 34 HA PHE 34 17.550 4.406 0.234 273 HB2 PHE 34 HB2 PHE 34 15.327 6.346 -0.312 274 HB3 PHE 34 HB3 PHE 34 16.910 6.937 0.182 275 HD1 PHE 34 HD1 PHE 34 15.245 4.781 -2.343 276 HD2 PHE 34 HD2 PHE 34 18.586 7.240 -1.391 277 HE1 PHE 34 HE1 PHE 34 16.027 4.613 -4.670 278 HE2 PHE 34 HE2 PHE 34 19.373 7.077 -3.716 279 HZ PHE 34 HZ PHE 34 18.093 5.763 -5.359 280 H PHE 35 H PHE 35 18.614 4.788 2.065 281 HA PHE 35 HA PHE 35 17.067 5.669 4.414 282 HB2 PHE 35 HB2 PHE 35 19.523 3.924 4.547 283 HB3 PHE 35 HB3 PHE 35 18.351 4.248 5.820 284 HD1 PHE 35 HD1 PHE 35 15.844 3.868 4.194 285 HD2 PHE 35 HD2 PHE 35 19.425 1.582 4.462 286 HE1 PHE 35 HE1 PHE 35 14.596 1.845 3.559 287 HE2 PHE 35 HE2 PHE 35 18.182 -0.445 3.826 288 HZ PHE 35 HZ PHE 35 15.765 -0.315 3.373 289 H ASP 36 H ASP 36 18.036 7.121 5.830 290 HA ASP 36 HA ASP 36 20.366 8.531 4.718 291 HB2 ASP 36 HB2 ASP 36 19.512 10.382 6.329 292 HB3 ASP 36 HB3 ASP 36 18.639 10.094 4.826 293 H CYS 37 H CYS 37 22.212 8.021 5.682 294 HA CYS 37 HA CYS 37 22.182 7.361 8.547 295 HB2 CYS 37 HB2 CYS 37 23.125 5.757 6.724 296 HB3 CYS 37 HB3 CYS 37 24.512 6.839 6.727 297 HG CYS 37 HG CYS 37 23.488 4.666 9.107 298 H LEU 38 H LEU 38 23.557 8.377 9.979 299 HA LEU 38 HA LEU 38 24.835 10.827 8.963 300 HB2 LEU 38 HB2 LEU 38 23.739 10.202 11.700 301 HB3 LEU 38 HB3 LEU 38 24.589 11.685 11.274 302 HG LEU 38 HG LEU 38 21.899 10.772 10.265 303 HD11 LEU 38 HD11 LEU 38 21.218 12.961 11.304 304 HD12 LEU 38 HD12 LEU 38 22.814 13.012 12.052 305 HD13 LEU 38 HD13 LEU 38 21.702 11.698 12.436 306 HD21 LEU 38 HD21 LEU 38 23.720 12.969 9.352 307 HD22 LEU 38 HD22 LEU 38 21.969 13.116 9.198 308 HD23 LEU 38 HD23 LEU 38 22.818 11.797 8.391 309 H ALA 39 H ALA 39 26.973 10.784 8.910 310 HA ALA 39 HA ALA 39 28.406 8.936 10.687 311 HB1 ALA 39 HB1 ALA 39 28.686 9.583 7.940 312 HB2 ALA 39 HB2 ALA 39 30.152 10.100 8.775 313 HB3 ALA 39 HB3 ALA 39 29.611 8.426 8.898 314 H VAL 40 H VAL 40 29.178 12.083 9.195 315 HA VAL 40 HA VAL 40 29.878 13.129 11.840 316 HB VAL 40 HB VAL 40 31.730 13.242 9.455 317 HG11 VAL 40 HG11 VAL 40 31.577 14.792 11.953 318 HG12 VAL 40 HG12 VAL 40 33.177 14.173 11.537 319 HG13 VAL 40 HG13 VAL 40 32.306 15.205 10.402 320 HG21 VAL 40 HG21 VAL 40 33.247 12.103 11.248 321 HG22 VAL 40 HG22 VAL 40 31.709 11.641 11.977 322 HG23 VAL 40 HG23 VAL 40 32.091 11.139 10.330 323 H CYS 41 H CYS 41 29.396 15.242 12.116 324 HA CYS 41 HA CYS 41 27.831 16.546 10.104 325 HB2 CYS 41 HB2 CYS 41 28.850 17.738 12.686 326 HB3 CYS 41 HB3 CYS 41 27.464 18.266 11.739 327 HG CYS 41 HG CYS 41 27.535 15.158 13.138 328 H VAL 42 H VAL 42 28.277 18.485 9.029 329 HA VAL 42 HA VAL 42 30.891 18.790 8.058 330 HB VAL 42 HB VAL 42 28.616 20.777 7.976 331 HG11 VAL 42 HG11 VAL 42 30.333 22.115 7.326 332 HG12 VAL 42 HG12 VAL 42 31.336 20.762 6.800 333 HG13 VAL 42 HG13 VAL 42 30.015 21.331 5.779 334 HG21 VAL 42 HG21 VAL 42 27.683 19.545 6.375 335 HG22 VAL 42 HG22 VAL 42 29.214 19.393 5.512 336 HG23 VAL 42 HG23 VAL 42 28.813 18.259 6.802 337 H ASN 43 H ASN 43 29.040 20.850 10.302 338 HA ASN 43 HA ASN 43 31.601 21.815 11.380 339 HB2 ASN 43 HB2 ASN 43 29.167 23.441 10.646 340 HB3 ASN 43 HB3 ASN 43 30.402 24.038 11.750 341 HD21 ASN 43 HD21 ASN 43 30.535 25.724 10.077 342 HD22 ASN 43 HD22 ASN 43 31.587 25.459 8.733 343 H VAL 44 H VAL 44 31.359 22.791 13.576 344 HA VAL 44 HA VAL 44 29.242 21.412 15.098 345 HB VAL 44 HB VAL 44 31.375 20.373 15.572 346 HG11 VAL 44 HG11 VAL 44 32.376 23.070 16.470 347 HG12 VAL 44 HG12 VAL 44 33.282 21.558 16.392 348 HG13 VAL 44 HG13 VAL 44 32.754 22.349 14.906 349 HG21 VAL 44 HG21 VAL 44 30.831 20.170 17.722 350 HG22 VAL 44 HG22 VAL 44 31.283 21.841 18.062 351 HG23 VAL 44 HG23 VAL 44 29.664 21.468 17.472 352 H LYS 45 H LYS 45 31.146 24.317 14.684 353 HA LYS 45 HA LYS 45 30.462 25.768 16.934 354 HB2 LYS 45 HB2 LYS 45 31.424 26.360 14.248 355 HB3 LYS 45 HB3 LYS 45 30.408 27.646 14.887 356 HG2 LYS 45 HG2 LYS 45 31.847 28.071 16.663 357 HG3 LYS 45 HG3 LYS 45 32.646 26.505 16.514 358 HD2 LYS 45 HD2 LYS 45 33.108 27.639 14.062 359 HD3 LYS 45 HD3 LYS 45 33.186 29.032 15.143 360 HE2 LYS 45 HE2 LYS 45 34.999 28.201 16.297 361 HE3 LYS 45 HE3 LYS 45 34.632 26.528 15.881 362 HZ1 LYS 45 HZ1 LYS 45 35.763 28.597 14.078 363 HZ2 LYS 45 HZ2 LYS 45 35.286 27.055 13.575 364 HZ3 LYS 45 HZ3 LYS 45 36.558 27.229 14.676 365 HA PRO 46 HA PRO 46 26.510 27.386 14.672 366 HB2 PRO 46 HB2 PRO 46 25.782 26.122 12.383 367 HB3 PRO 46 HB3 PRO 46 26.864 27.519 12.406 368 HG2 PRO 46 HG2 PRO 46 27.532 24.607 12.208 369 HG3 PRO 46 HG3 PRO 46 28.216 25.976 11.311 370 HD2 PRO 46 HD2 PRO 46 29.474 24.845 13.425 371 HD3 PRO 46 HD3 PRO 46 29.617 26.572 13.042 372 H ALA 47 H ALA 47 24.297 26.227 13.845 373 HA ALA 47 HA ALA 47 23.780 24.224 15.858 374 HB1 ALA 47 HB1 ALA 47 22.266 26.196 14.550 375 HB2 ALA 47 HB2 ALA 47 21.548 24.645 14.113 376 HB3 ALA 47 HB3 ALA 47 21.735 25.083 15.811 377 HA PRO 48 HA PRO 48 23.923 20.589 13.405 378 HB2 PRO 48 HB2 PRO 48 21.801 19.176 14.338 379 HB3 PRO 48 HB3 PRO 48 23.280 19.418 15.275 380 HG2 PRO 48 HG2 PRO 48 20.669 20.872 15.447 381 HG3 PRO 48 HG3 PRO 48 21.714 20.291 16.756 382 HD2 PRO 48 HD2 PRO 48 21.680 22.878 15.959 383 HD3 PRO 48 HD3 PRO 48 23.143 22.091 16.584 384 H GLU 49 H GLU 49 20.569 21.771 13.715 385 HA GLU 49 HA GLU 49 19.718 20.615 11.258 386 HB2 GLU 49 HB2 GLU 49 17.648 21.763 11.615 387 HB3 GLU 49 HB3 GLU 49 18.212 21.186 13.176 388 HG2 GLU 49 HG2 GLU 49 19.174 23.493 13.537 389 HG3 GLU 49 HG3 GLU 49 18.265 23.992 12.111 390 H LYS 50 H LYS 50 21.363 23.511 12.083 391 HA LYS 50 HA LYS 50 20.630 24.926 9.667 392 HB2 LYS 50 HB2 LYS 50 22.274 25.506 12.077 393 HB3 LYS 50 HB3 LYS 50 22.668 26.382 10.604 394 HG2 LYS 50 HG2 LYS 50 20.410 27.242 10.472 395 HG3 LYS 50 HG3 LYS 50 19.947 26.302 11.893 396 HD2 LYS 50 HD2 LYS 50 21.206 27.630 13.333 397 HD3 LYS 50 HD3 LYS 50 22.213 28.259 12.026 398 HE2 LYS 50 HE2 LYS 50 20.277 29.496 11.154 399 HE3 LYS 50 HE3 LYS 50 19.297 28.886 12.487 400 HZ1 LYS 50 HZ1 LYS 50 19.999 30.575 13.707 401 HZ2 LYS 50 HZ2 LYS 50 20.979 31.131 12.446 402 HZ3 LYS 50 HZ3 LYS 50 21.596 30.032 13.575 403 H ARG 51 H ARG 51 22.884 22.563 10.543 404 HA ARG 51 HA ARG 51 24.501 23.162 8.153 405 HB2 ARG 51 HB2 ARG 51 25.294 22.495 10.898 406 HB3 ARG 51 HB3 ARG 51 26.098 21.526 9.670 407 HG2 ARG 51 HG2 ARG 51 25.989 24.505 9.433 408 HG3 ARG 51 HG3 ARG 51 27.197 23.717 10.450 409 HD2 ARG 51 HD2 ARG 51 28.174 22.614 8.625 410 HD3 ARG 51 HD3 ARG 51 26.779 22.913 7.589 411 HE ARG 51 HE ARG 51 28.110 25.306 8.472 412 HH11 ARG 51 HH11 ARG 51 28.022 22.790 6.066 413 HH12 ARG 51 HH12 ARG 51 28.811 23.743 4.853 414 HH21 ARG 51 HH21 ARG 51 29.149 26.570 6.883 415 HH22 ARG 51 HH22 ARG 51 29.453 25.892 5.319 416 H GLU 52 H GLU 52 25.421 21.269 7.073 417 HA GLU 52 HA GLU 52 23.483 19.091 7.024 418 HB2 GLU 52 HB2 GLU 52 25.822 19.482 5.161 419 HB3 GLU 52 HB3 GLU 52 24.378 18.516 4.892 420 HG2 GLU 52 HG2 GLU 52 23.614 20.258 3.749 421 HG3 GLU 52 HG3 GLU 52 23.351 21.020 5.316 422 H PHE 53 H PHE 53 24.328 16.850 6.707 423 HA PHE 53 HA PHE 53 26.763 16.395 8.300 424 HB2 PHE 53 HB2 PHE 53 24.351 14.582 8.344 425 HB3 PHE 53 HB3 PHE 53 25.742 14.558 9.423 426 HD1 PHE 53 HD2 PHE 53 26.008 17.374 10.155 427 HD2 PHE 53 HD1 PHE 53 22.519 14.980 9.694 428 HE1 PHE 53 HE2 PHE 53 24.806 18.827 11.736 429 HE2 PHE 53 HE1 PHE 53 21.311 16.430 11.273 430 HZ PHE 53 HZ PHE 53 22.455 18.355 12.297 431 H TRP 54 H TRP 54 27.925 14.449 7.833 432 HA TRP 54 HA TRP 54 27.781 13.749 5.015 433 HB2 TRP 54 HB2 TRP 54 29.801 13.023 7.148 434 HB3 TRP 54 HB3 TRP 54 29.935 12.590 5.446 435 HD1 TRP 54 HD1 TRP 54 31.153 15.093 7.767 436 HE1 TRP 54 HE1 TRP 54 31.983 17.199 6.542 437 HE3 TRP 54 HE3 TRP 54 29.076 14.233 3.175 438 HZ2 TRP 54 HZ2 TRP 54 31.782 18.345 3.970 439 HZ3 TRP 54 HZ3 TRP 54 29.442 15.883 1.387 440 HH2 TRP 54 HH2 TRP 54 30.767 17.896 1.779 441 H GLY 55 H GLY 55 27.486 11.678 4.210 442 HA2 GLY 55 HA2 GLY 55 27.401 9.287 5.570 443 HA3 GLY 55 HA3 GLY 55 25.797 9.976 5.766 444 H TRP 56 H TRP 56 27.196 7.693 4.131 445 HA TRP 56 HA TRP 56 26.289 8.371 1.452 446 HB2 TRP 56 HB2 TRP 56 27.300 6.288 0.763 447 HB3 TRP 56 HB3 TRP 56 28.425 7.139 1.818 448 HD1 TRP 56 HD1 TRP 56 28.921 6.060 4.214 449 HE1 TRP 56 HE1 TRP 56 28.560 3.685 5.139 450 HE3 TRP 56 HE3 TRP 56 25.719 4.277 0.649 451 HZ2 TRP 56 HZ2 TRP 56 27.111 1.364 4.449 452 HZ3 TRP 56 HZ3 TRP 56 24.892 1.968 0.855 453 HH2 TRP 56 HH2 TRP 56 25.575 0.543 2.716 454 H TRP 57 H TRP 57 24.400 7.773 0.599 455 HA TRP 57 HA TRP 57 22.504 6.350 2.253 456 HB2 TRP 57 HB2 TRP 57 20.927 6.826 0.359 457 HB3 TRP 57 HB3 TRP 57 21.674 8.260 1.059 458 HD1 TRP 57 HD1 TRP 57 22.342 5.900 -1.960 459 HE1 TRP 57 HE1 TRP 57 23.185 7.346 -3.915 460 HE3 TRP 57 HE3 TRP 57 22.424 10.449 0.372 461 HZ2 TRP 57 HZ2 TRP 57 23.803 10.057 -4.404 462 HZ3 TRP 57 HZ3 TRP 57 23.155 12.418 -0.910 463 HH2 TRP 57 HH2 TRP 57 23.830 12.224 -3.248 464 H MET 58 H MET 58 21.490 4.403 1.752 465 HA MET 58 HA MET 58 22.908 2.756 -0.236 466 HB2 MET 58 HB2 MET 58 23.065 2.162 2.256 467 HB3 MET 58 HB3 MET 58 21.380 1.677 2.123 468 HG2 MET 58 HG2 MET 58 23.347 0.572 0.186 469 HG3 MET 58 HG3 MET 58 23.321 -0.055 1.832 470 HE1 MET 58 HE1 MET 58 21.529 -2.715 1.758 471 HE2 MET 58 HE2 MET 58 22.010 -1.374 2.797 472 HE3 MET 58 HE3 MET 58 20.300 -1.689 2.497 473 H GLU 59 H GLU 59 21.736 2.471 -2.011 474 HA GLU 59 HA GLU 59 18.815 2.198 -1.738 475 HB2 GLU 59 HB2 GLU 59 18.809 2.842 -4.204 476 HB3 GLU 59 HB3 GLU 59 19.211 4.111 -3.055 477 HG2 GLU 59 HG2 GLU 59 21.349 4.279 -3.770 478 HG3 GLU 59 HG3 GLU 59 21.467 2.567 -4.173 479 H LEU 60 H LEU 60 18.181 0.156 -1.883 480 HA LEU 60 HA LEU 60 19.592 -1.625 -3.760 481 HB2 LEU 60 HB2 LEU 60 18.794 -3.483 -2.296 482 HB3 LEU 60 HB3 LEU 60 19.983 -2.411 -1.559 483 HG LEU 60 HG LEU 60 17.845 -1.242 -0.573 484 HD11 LEU 60 HD11 LEU 60 16.882 -3.983 -1.329 485 HD12 LEU 60 HD12 LEU 60 16.121 -2.424 -1.641 486 HD13 LEU 60 HD13 LEU 60 16.172 -3.067 0.001 487 HD21 LEU 60 HD21 LEU 60 18.662 -2.053 1.328 488 HD22 LEU 60 HD22 LEU 60 19.731 -3.065 0.357 489 HD23 LEU 60 HD23 LEU 60 18.179 -3.696 0.909 490 H GLU 61 H GLU 61 18.311 -3.225 -4.852 491 HA GLU 61 HA GLU 61 15.465 -2.491 -5.069 492 HB2 GLU 61 HB2 GLU 61 17.150 -1.960 -7.027 493 HB3 GLU 61 HB3 GLU 61 16.934 -3.666 -7.391 494 HG2 GLU 61 HG2 GLU 61 14.450 -3.219 -7.398 495 HG3 GLU 61 HG3 GLU 61 14.853 -1.504 -7.360 496 H ALA 62 H ALA 62 14.291 -4.070 -4.210 497 HA ALA 62 HA ALA 62 15.183 -6.710 -3.804 498 HB1 ALA 62 HB1 ALA 62 13.439 -5.668 -2.441 499 HB2 ALA 62 HB2 ALA 62 12.353 -5.666 -3.831 500 HB3 ALA 62 HB3 ALA 62 12.891 -7.194 -3.135 501 H GLN 63 H GLN 63 15.560 -8.166 -5.334 502 HA GLN 63 HA GLN 63 14.336 -8.002 -7.928 503 HB2 GLN 63 HB2 GLN 63 16.594 -9.334 -6.745 504 HB3 GLN 63 HB3 GLN 63 15.632 -10.490 -7.657 505 HG2 GLN 63 HG2 GLN 63 16.878 -7.948 -8.666 506 HG3 GLN 63 HG3 GLN 63 17.301 -9.604 -9.102 507 HE21 GLN 63 HE21 GLN 63 15.275 -10.868 -9.898 508 HE22 GLN 63 HE22 GLN 63 14.344 -10.052 -11.103 509 H GLU 64 H GLU 64 13.809 -10.482 -8.756 510 HA GLU 64 HA GLU 64 11.224 -10.991 -7.899 511 HB2 GLU 64 HB2 GLU 64 13.223 -12.422 -9.539 512 HB3 GLU 64 HB3 GLU 64 11.941 -13.420 -8.866 513 HG2 GLU 64 HG2 GLU 64 10.478 -11.389 -9.833 514 HG3 GLU 64 HG3 GLU 64 11.835 -11.349 -10.956 515 H LYS 65 H LYS 65 14.018 -13.122 -7.274 516 HA LYS 65 HA LYS 65 12.834 -13.755 -4.654 517 HB2 LYS 65 HB2 LYS 65 13.899 -16.082 -5.044 518 HB3 LYS 65 HB3 LYS 65 12.371 -15.710 -5.831 519 HG2 LYS 65 HG2 LYS 65 13.765 -16.811 -7.412 520 HG3 LYS 65 HG3 LYS 65 13.651 -15.114 -7.883 521 HD2 LYS 65 HD2 LYS 65 15.830 -14.649 -7.158 522 HD3 LYS 65 HD3 LYS 65 15.915 -16.121 -6.187 523 HE2 LYS 65 HE2 LYS 65 17.229 -16.603 -8.053 524 HE3 LYS 65 HE3 LYS 65 15.683 -17.369 -8.415 525 HZ1 LYS 65 HZ1 LYS 65 15.383 -16.059 -10.172 526 HZ2 LYS 65 HZ2 LYS 65 17.015 -15.640 -10.031 527 HZ3 LYS 65 HZ3 LYS 65 15.828 -14.657 -9.334 528 H ARG 66 H ARG 66 14.817 -11.801 -5.162 529 HA ARG 66 HA ARG 66 16.829 -12.678 -3.325 530 HB2 ARG 66 HB2 ARG 66 18.758 -12.482 -4.723 531 HB3 ARG 66 HB3 ARG 66 17.647 -13.590 -5.516 532 HG2 ARG 66 HG2 ARG 66 16.946 -11.854 -7.043 533 HG3 ARG 66 HG3 ARG 66 17.961 -10.677 -6.207 534 HD2 ARG 66 HD2 ARG 66 19.809 -12.535 -6.748 535 HD3 ARG 66 HD3 ARG 66 18.702 -12.839 -8.087 536 HE ARG 66 HE ARG 66 19.396 -10.065 -7.728 537 HH11 ARG 66 HH11 ARG 66 20.256 -13.081 -9.242 538 HH12 ARG 66 HH12 ARG 66 21.164 -12.333 -10.514 539 HH21 ARG 66 HH21 ARG 66 20.589 -9.070 -9.398 540 HH22 ARG 66 HH22 ARG 66 21.353 -10.052 -10.602 541 H PHE 67 H PHE 67 18.552 -10.881 -3.084 542 HA PHE 67 HA PHE 67 17.300 -8.253 -3.523 543 HB2 PHE 67 HB2 PHE 67 18.080 -9.544 -1.007 544 HB3 PHE 67 HB3 PHE 67 18.727 -7.917 -1.196 545 HD1 PHE 67 HD1 PHE 67 15.694 -9.929 -0.851 546 HD2 PHE 67 HD2 PHE 67 17.272 -5.996 -1.243 547 HE1 PHE 67 HE1 PHE 67 13.525 -8.995 -0.163 548 HE2 PHE 67 HE2 PHE 67 15.105 -5.055 -0.554 549 HZ PHE 67 HZ PHE 67 13.228 -6.554 -0.012 550 H THR 68 H THR 68 18.671 -6.543 -3.951 551 HA THR 68 HA THR 68 21.549 -7.068 -4.042 552 HB THR 68 HB THR 68 20.764 -7.630 -6.284 553 HG1 THR 68 HG1 THR 68 21.968 -5.798 -7.378 554 HG21 THR 68 HG21 THR 68 18.714 -6.303 -6.321 555 HG22 THR 68 HG22 THR 68 19.727 -5.923 -7.714 556 HG23 THR 68 HG23 THR 68 19.663 -4.818 -6.341 557 H TYR 69 H TYR 69 22.779 -5.330 -3.553 558 HA TYR 69 HA TYR 69 21.427 -2.720 -3.354 559 HB2 TYR 69 HB2 TYR 69 22.518 -2.257 -1.295 560 HB3 TYR 69 HB3 TYR 69 21.855 -3.880 -1.138 561 HD1 TYR 69 HD1 TYR 69 23.536 -5.812 -1.836 562 HD2 TYR 69 HD2 TYR 69 24.699 -1.903 -0.626 563 HE1 TYR 69 HE1 TYR 69 25.761 -6.668 -1.232 564 HE2 TYR 69 HE2 TYR 69 26.928 -2.747 -0.019 565 HH TYR 69 HH TYR 69 28.334 -5.084 -0.977 566 H ARG 70 H ARG 70 23.140 -0.914 -3.088 567 HA ARG 70 HA ARG 70 25.577 -1.440 -4.600 568 HB2 ARG 70 HB2 ARG 70 23.737 0.801 -5.428 569 HB3 ARG 70 HB3 ARG 70 25.179 0.225 -6.254 570 HG2 ARG 70 HG2 ARG 70 23.891 -1.993 -6.491 571 HG3 ARG 70 HG3 ARG 70 22.466 -1.024 -6.110 572 HD2 ARG 70 HD2 ARG 70 23.061 0.493 -7.979 573 HD3 ARG 70 HD3 ARG 70 24.391 -0.589 -8.389 574 HE ARG 70 HE ARG 70 22.886 -1.981 -9.395 575 HH11 ARG 70 HH11 ARG 70 21.175 0.164 -7.252 576 HH12 ARG 70 HH12 ARG 70 19.607 -0.365 -7.762 577 HH21 ARG 70 HH21 ARG 70 20.827 -2.687 -10.075 578 HH22 ARG 70 HH22 ARG 70 19.410 -1.988 -9.368 579 H TYR 71 H TYR 71 27.172 0.209 -4.390 580 HA TYR 71 HA TYR 71 26.903 1.696 -1.899 581 HB2 TYR 71 HB2 TYR 71 29.292 1.167 -3.675 582 HB3 TYR 71 HB3 TYR 71 29.355 2.088 -2.177 583 HD1 TYR 71 HD1 TYR 71 28.484 0.852 -0.048 584 HD2 TYR 71 HD2 TYR 71 29.681 -1.119 -3.623 585 HE1 TYR 71 HE1 TYR 71 28.827 -1.227 1.221 586 HE2 TYR 71 HE2 TYR 71 30.027 -3.204 -2.364 587 HH TYR 71 HH TYR 71 29.084 -3.502 0.993 588 H GLN 72 H GLN 72 26.262 3.736 -1.919 589 HA GLN 72 HA GLN 72 27.142 5.483 -4.106 590 HB2 GLN 72 HB2 GLN 72 24.329 5.402 -3.002 591 HB3 GLN 72 HB3 GLN 72 24.928 6.528 -4.212 592 HG2 GLN 72 HG2 GLN 72 25.496 4.400 -5.564 593 HG3 GLN 72 HG3 GLN 72 24.367 3.607 -4.467 594 HE21 GLN 72 HE21 GLN 72 24.077 3.909 -7.286 595 HE22 GLN 72 HE22 GLN 72 22.654 4.850 -7.560 596 H PHE 73 H PHE 73 28.256 7.104 -3.266 597 HA PHE 73 HA PHE 73 27.824 7.870 -0.484 598 HB2 PHE 73 HB2 PHE 73 30.015 8.373 -2.478 599 HB3 PHE 73 HB3 PHE 73 29.895 9.344 -1.014 600 HD1 PHE 73 HD2 PHE 73 30.194 5.855 -2.231 601 HD2 PHE 73 HD1 PHE 73 30.748 8.560 1.008 602 HE1 PHE 73 HE2 PHE 73 31.395 4.108 -0.981 603 HE2 PHE 73 HE1 PHE 73 31.951 6.818 2.262 604 HZ PHE 73 HZ PHE 73 32.274 4.588 1.268 605 H GLY 74 H GLY 74 27.720 10.147 0.115 606 HA2 GLY 74 HA2 GLY 74 27.290 12.252 -1.667 607 HA3 GLY 74 HA3 GLY 74 25.724 11.531 -1.327 608 H LEU 75 H LEU 75 24.849 13.203 -0.179 609 HA LEU 75 HA LEU 75 25.906 13.566 2.515 610 HB2 LEU 75 HB2 LEU 75 26.920 15.412 1.474 611 HB3 LEU 75 HB3 LEU 75 25.484 15.763 0.515 612 HG LEU 75 HG LEU 75 25.222 15.987 3.458 613 HD11 LEU 75 HD11 LEU 75 26.557 18.169 1.880 614 HD12 LEU 75 HD12 LEU 75 27.455 17.001 2.849 615 HD13 LEU 75 HD13 LEU 75 26.295 18.081 3.622 616 HD21 LEU 75 HD21 LEU 75 24.351 18.124 1.643 617 HD22 LEU 75 HD22 LEU 75 23.476 17.299 2.933 618 HD23 LEU 75 HD23 LEU 75 23.619 16.547 1.343 619 H PHE 76 H PHE 76 24.358 14.088 4.048 620 HA PHE 76 HA PHE 76 21.588 13.784 3.133 621 HB2 PHE 76 HB2 PHE 76 22.211 12.143 4.770 622 HB3 PHE 76 HB3 PHE 76 22.876 13.377 5.835 623 HD1 PHE 76 HD1 PHE 76 19.690 12.285 4.260 624 HD2 PHE 76 HD2 PHE 76 21.568 14.276 7.520 625 HE1 PHE 76 HE1 PHE 76 17.517 12.461 5.400 626 HE2 PHE 76 HE2 PHE 76 19.398 14.455 8.665 627 HZ PHE 76 HZ PHE 76 17.369 13.546 7.606 628 H ASP 77 H ASP 77 20.992 15.837 2.561 629 HA ASP 77 HA ASP 77 21.582 18.131 4.158 630 HB2 ASP 77 HB2 ASP 77 20.313 17.576 1.607 631 HB3 ASP 77 HB3 ASP 77 19.414 18.783 2.522 632 H LYS 78 H LYS 78 19.691 19.607 4.828 633 HA LYS 78 HA LYS 78 18.113 18.128 6.738 634 HB2 LYS 78 HB2 LYS 78 17.514 20.257 7.651 635 HB3 LYS 78 HB3 LYS 78 19.226 20.316 7.251 636 HG2 LYS 78 HG2 LYS 78 18.404 21.355 5.019 637 HG3 LYS 78 HG3 LYS 78 16.926 21.682 5.927 638 HD2 LYS 78 HD2 LYS 78 18.242 23.620 6.164 639 HD3 LYS 78 HD3 LYS 78 18.428 22.745 7.686 640 HE2 LYS 78 HE2 LYS 78 20.603 22.164 7.242 641 HE3 LYS 78 HE3 LYS 78 20.377 22.226 5.495 642 HZ1 LYS 78 HZ1 LYS 78 20.270 24.679 7.136 643 HZ2 LYS 78 HZ2 LYS 78 20.563 24.529 5.477 644 HZ3 LYS 78 HZ3 LYS 78 21.746 24.058 6.591 645 H GLU 79 H GLU 79 17.648 19.575 3.632 646 HA GLU 79 HA GLU 79 14.784 19.739 3.812 647 HB2 GLU 79 HB2 GLU 79 16.468 19.758 1.307 648 HB3 GLU 79 HB3 GLU 79 14.839 20.391 1.504 649 HG2 GLU 79 HG2 GLU 79 15.703 22.094 3.044 650 HG3 GLU 79 HG3 GLU 79 17.334 21.476 2.791 651 H GLY 80 H GLY 80 16.948 17.212 3.430 652 HA2 GLY 80 HA2 GLY 80 16.582 14.968 3.059 653 HA3 GLY 80 HA3 GLY 80 14.865 15.324 2.942 654 H ASN 81 H ASN 81 16.948 17.109 0.878 655 HA ASN 81 HA ASN 81 15.893 15.632 -1.419 656 HB2 ASN 81 HB2 ASN 81 17.017 18.395 -1.058 657 HB3 ASN 81 HB3 ASN 81 16.919 17.672 -2.661 658 HD21 ASN 81 HD21 ASN 81 15.024 18.555 0.170 659 HD22 ASN 81 HD22 ASN 81 13.535 18.792 -0.675 660 H TRP 82 H TRP 82 17.310 15.197 -3.249 661 HA TRP 82 HA TRP 82 19.699 13.897 -2.443 662 HB2 TRP 82 HB2 TRP 82 18.441 13.007 -4.293 663 HB3 TRP 82 HB3 TRP 82 18.580 14.523 -5.180 664 HD1 TRP 82 HD1 TRP 82 20.768 11.561 -4.019 665 HE1 TRP 82 HE1 TRP 82 22.783 11.382 -5.610 666 HE3 TRP 82 HE3 TRP 82 19.952 15.748 -6.838 667 HZ2 TRP 82 HZ2 TRP 82 23.882 12.824 -7.774 668 HZ3 TRP 82 HZ3 TRP 82 21.532 16.277 -8.648 669 HH2 TRP 82 HH2 TRP 82 23.456 14.845 -9.105 670 H THR 83 H THR 83 21.645 14.736 -2.140 671 HA THR 83 HA THR 83 22.555 16.952 -3.807 672 HB THR 83 HB THR 83 22.915 17.140 -0.824 673 HG1 THR 83 HG1 THR 83 20.676 17.239 -1.229 674 HG21 THR 83 HG21 THR 83 22.940 19.659 -1.756 675 HG22 THR 83 HG22 THR 83 23.516 18.810 -3.191 676 HG23 THR 83 HG23 THR 83 24.384 18.653 -1.664 677 H VAL 84 H VAL 84 24.356 16.160 -4.674 678 HA VAL 84 HA VAL 84 26.078 14.402 -3.087 679 HB VAL 84 HB VAL 84 27.260 14.005 -5.259 680 HG11 VAL 84 HG11 VAL 84 25.719 12.353 -4.626 681 HG12 VAL 84 HG12 VAL 84 24.334 13.393 -4.963 682 HG13 VAL 84 HG13 VAL 84 25.296 12.746 -6.292 683 HG21 VAL 84 HG21 VAL 84 25.733 16.243 -6.062 684 HG22 VAL 84 HG22 VAL 84 26.882 15.308 -7.018 685 HG23 VAL 84 HG23 VAL 84 25.176 14.862 -7.007 686 H VAL 85 H VAL 85 27.799 15.207 -2.100 687 HA VAL 85 HA VAL 85 29.246 17.442 -3.339 688 HB VAL 85 HB VAL 85 29.626 18.233 -0.880 689 HG11 VAL 85 HG11 VAL 85 26.889 18.820 -1.925 690 HG12 VAL 85 HG12 VAL 85 28.081 19.915 -1.222 691 HG13 VAL 85 HG13 VAL 85 28.307 19.295 -2.858 692 HG21 VAL 85 HG21 VAL 85 26.851 17.345 -0.384 693 HG22 VAL 85 HG22 VAL 85 28.109 16.117 -0.242 694 HG23 VAL 85 HG23 VAL 85 28.188 17.577 0.743 695 HA PRO 86 HA PRO 86 32.902 15.206 -2.391 696 HB2 PRO 86 HB2 PRO 86 34.654 17.208 -1.848 697 HB3 PRO 86 HB3 PRO 86 34.067 16.861 -3.479 698 HG2 PRO 86 HG2 PRO 86 33.156 18.956 -1.544 699 HG3 PRO 86 HG3 PRO 86 33.441 19.093 -3.289 700 HD2 PRO 86 HD2 PRO 86 30.963 18.814 -2.235 701 HD3 PRO 86 HD3 PRO 86 31.405 18.153 -3.822 702 H ILE 87 H ILE 87 34.130 14.395 -0.703 703 HA ILE 87 HA ILE 87 33.204 15.130 1.964 704 HB ILE 87 HB ILE 87 34.945 12.817 1.102 705 HG12 ILE 87 HG12 ILE 87 32.663 12.688 0.189 706 HG13 ILE 87 HG13 ILE 87 32.937 11.448 1.408 707 HG21 ILE 87 HG21 ILE 87 34.002 13.794 3.726 708 HG22 ILE 87 HG22 ILE 87 33.916 12.055 3.454 709 HG23 ILE 87 HG23 ILE 87 35.459 12.895 3.304 710 HD11 ILE 87 HD11 ILE 87 31.395 14.007 1.734 711 HD12 ILE 87 HD12 ILE 87 30.759 12.362 1.725 712 HD13 ILE 87 HD13 ILE 87 31.783 12.904 3.054 713 H ASN 88 H ASN 88 34.311 16.587 3.078 714 HA ASN 88 HA ASN 88 37.088 17.138 2.443 715 HB2 ASN 88 HB2 ASN 88 34.965 18.479 4.062 716 HB3 ASN 88 HB3 ASN 88 36.650 18.843 4.422 717 HD21 ASN 88 HD21 ASN 88 34.546 20.545 3.330 718 HD22 ASN 88 HD22 ASN 88 35.147 21.133 1.820 719 H GLU 89 H GLU 89 38.783 17.112 3.988 720 HA GLU 89 HA GLU 89 40.038 16.211 5.658 721 HB2 GLU 89 HB2 GLU 89 37.600 16.979 6.867 722 HB3 GLU 89 HB3 GLU 89 38.010 15.400 7.522 723 HG2 GLU 89 HG2 GLU 89 38.993 16.921 8.985 724 HG3 GLU 89 HG3 GLU 89 40.320 16.361 7.969 725 H THR 90 H THR 90 40.877 14.355 4.920 726 HA THR 90 HA THR 90 39.522 12.069 4.131 727 HB THR 90 HB THR 90 41.869 12.420 3.580 728 HG1 THR 90 HG1 THR 90 42.541 10.278 3.960 729 HG21 THR 90 HG21 THR 90 42.942 11.503 6.143 730 HG22 THR 90 HG22 THR 90 42.190 13.096 6.218 731 HG23 THR 90 HG23 THR 90 43.500 12.792 5.079 732 H GLU 91 H GLU 91 40.392 13.146 7.322 733 HA GLU 91 HA GLU 91 40.326 10.780 8.762 734 HB2 GLU 91 HB2 GLU 91 39.611 12.178 10.691 735 HB3 GLU 91 HB3 GLU 91 40.984 12.842 9.816 736 HG2 GLU 91 HG2 GLU 91 39.550 14.437 8.705 737 HG3 GLU 91 HG3 GLU 91 38.130 13.734 9.477 738 H VAL 92 H VAL 92 37.675 12.739 7.544 739 HA VAL 92 HA VAL 92 35.643 11.236 8.917 740 HB VAL 92 HB VAL 92 35.343 13.154 6.602 741 HG11 VAL 92 HG11 VAL 92 33.328 12.045 6.658 742 HG12 VAL 92 HG12 VAL 92 33.414 11.754 8.397 743 HG13 VAL 92 HG13 VAL 92 33.022 13.363 7.788 744 HG21 VAL 92 HG21 VAL 92 35.258 13.612 9.579 745 HG22 VAL 92 HG22 VAL 92 36.389 14.310 8.420 746 HG23 VAL 92 HG23 VAL 92 34.689 14.777 8.383 747 H VAL 93 H VAL 93 36.822 11.443 5.573 748 HA VAL 93 HA VAL 93 35.058 9.718 4.334 749 HB VAL 93 HB VAL 93 37.315 11.035 3.541 750 HG11 VAL 93 HG11 VAL 93 38.710 9.171 4.399 751 HG12 VAL 93 HG12 VAL 93 37.919 8.096 3.245 752 HG13 VAL 93 HG13 VAL 93 38.895 9.447 2.668 753 HG21 VAL 93 HG21 VAL 93 36.308 8.865 1.777 754 HG22 VAL 93 HG22 VAL 93 35.161 10.083 2.336 755 HG23 VAL 93 HG23 VAL 93 36.590 10.570 1.424 756 H GLU 94 H GLU 94 37.802 8.978 6.385 757 HA GLU 94 HA GLU 94 37.975 6.218 5.782 758 HB2 GLU 94 HB2 GLU 94 38.849 7.831 8.177 759 HB3 GLU 94 HB3 GLU 94 39.156 6.106 8.028 760 HG2 GLU 94 HG2 GLU 94 40.030 8.035 5.911 761 HG3 GLU 94 HG3 GLU 94 41.007 7.731 7.346 762 H ARG 95 H ARG 95 36.048 8.073 8.050 763 HA ARG 95 HA ARG 95 35.120 5.900 9.604 764 HB2 ARG 95 HB2 ARG 95 34.950 8.180 10.417 765 HB3 ARG 95 HB3 ARG 95 33.893 8.611 9.079 766 HG2 ARG 95 HG2 ARG 95 32.543 8.335 11.013 767 HG3 ARG 95 HG3 ARG 95 32.241 6.957 9.952 768 HD2 ARG 95 HD2 ARG 95 32.441 6.144 12.194 769 HD3 ARG 95 HD3 ARG 95 33.877 5.649 11.299 770 HE ARG 95 HE ARG 95 35.149 6.935 12.700 771 HH11 ARG 95 HH11 ARG 95 31.808 7.860 13.023 772 HH12 ARG 95 HH12 ARG 95 32.093 8.905 14.375 773 HH21 ARG 95 HH21 ARG 95 35.537 8.309 14.479 774 HH22 ARG 95 HH22 ARG 95 34.214 9.161 15.202 775 H LEU 96 H LEU 96 33.993 7.383 6.624 776 HA LEU 96 HA LEU 96 31.499 6.025 6.520 777 HB2 LEU 96 HB2 LEU 96 32.981 6.968 4.096 778 HB3 LEU 96 HB3 LEU 96 31.243 6.930 4.387 779 HG LEU 96 HG LEU 96 33.234 8.857 5.580 780 HD11 LEU 96 HD11 LEU 96 32.239 8.978 3.118 781 HD12 LEU 96 HD12 LEU 96 32.492 10.416 4.107 782 HD13 LEU 96 HD13 LEU 96 30.884 9.702 3.985 783 HD21 LEU 96 HD21 LEU 96 30.787 9.845 6.188 784 HD22 LEU 96 HD22 LEU 96 31.779 8.894 7.294 785 HD23 LEU 96 HD23 LEU 96 30.500 8.114 6.362 786 H GLU 97 H GLU 97 34.705 5.361 5.187 787 HA GLU 97 HA GLU 97 34.024 3.158 3.598 788 HB2 GLU 97 HB2 GLU 97 36.577 3.958 4.979 789 HB3 GLU 97 HB3 GLU 97 36.471 2.496 4.008 790 HG2 GLU 97 HG2 GLU 97 36.018 3.725 2.039 791 HG3 GLU 97 HG3 GLU 97 35.756 5.212 2.947 792 H TYR 98 H TYR 98 34.827 3.398 7.020 793 HA TYR 98 HA TYR 98 34.953 0.600 7.497 794 HB2 TYR 98 HB2 TYR 98 36.017 2.160 9.024 795 HB3 TYR 98 HB3 TYR 98 34.467 2.910 9.389 796 HD1 TYR 98 HD2 TYR 98 32.786 1.685 10.730 797 HD2 TYR 98 HD1 TYR 98 36.691 0.125 10.084 798 HE1 TYR 98 HE2 TYR 98 32.462 0.116 12.596 799 HE2 TYR 98 HE1 TYR 98 36.377 -1.450 11.947 800 HH TYR 98 HH TYR 98 33.284 -1.820 13.537 801 H THR 99 H THR 99 32.424 3.027 8.119 802 HA THR 99 HA THR 99 30.511 1.219 9.121 803 HB THR 99 HB THR 99 28.883 2.968 8.843 804 HG1 THR 99 HG1 THR 99 29.125 4.593 7.424 805 HG21 THR 99 HG21 THR 99 30.896 4.901 9.425 806 HG22 THR 99 HG22 THR 99 31.385 3.355 10.120 807 HG23 THR 99 HG23 THR 99 29.824 4.057 10.541 808 H LEU 100 H LEU 100 31.450 2.081 5.888 809 HA LEU 100 HA LEU 100 29.173 1.314 4.467 810 HB2 LEU 100 HB2 LEU 100 30.900 2.487 3.341 811 HB3 LEU 100 HB3 LEU 100 32.094 1.258 3.755 812 HG LEU 100 HG LEU 100 29.797 0.435 2.059 813 HD11 LEU 100 HD11 LEU 100 30.298 2.443 0.933 814 HD12 LEU 100 HD12 LEU 100 31.146 1.174 0.051 815 HD13 LEU 100 HD13 LEU 100 32.034 2.226 1.153 816 HD21 LEU 100 HD21 LEU 100 32.586 -0.374 2.606 817 HD22 LEU 100 HD22 LEU 100 32.005 -0.608 0.957 818 HD23 LEU 100 HD23 LEU 100 31.153 -1.359 2.308 819 H ARG 101 H ARG 101 32.014 -0.607 5.406 820 HA ARG 101 HA ARG 101 31.059 -3.028 4.273 821 HB2 ARG 101 HB2 ARG 101 33.469 -2.330 5.015 822 HB3 ARG 101 HB3 ARG 101 32.973 -2.970 6.576 823 HG2 ARG 101 HG2 ARG 101 32.515 -4.677 4.200 824 HG3 ARG 101 HG3 ARG 101 34.180 -4.455 4.741 825 HD2 ARG 101 HD2 ARG 101 33.233 -5.024 7.084 826 HD3 ARG 101 HD3 ARG 101 31.866 -5.686 6.189 827 HE ARG 101 HE ARG 101 34.489 -6.820 6.427 828 HH11 ARG 101 HH11 ARG 101 31.642 -6.629 4.433 829 HH12 ARG 101 HH12 ARG 101 31.924 -8.153 3.658 830 HH21 ARG 101 HH21 ARG 101 34.870 -8.828 5.415 831 HH22 ARG 101 HH22 ARG 101 33.760 -9.404 4.218 832 H GLU 102 H GLU 102 31.087 -1.764 7.595 833 HA GLU 102 HA GLU 102 29.923 -3.960 8.857 834 HB2 GLU 102 HB2 GLU 102 30.079 -1.040 9.474 835 HB3 GLU 102 HB3 GLU 102 29.022 -2.057 10.445 836 HG2 GLU 102 HG2 GLU 102 31.988 -2.395 10.066 837 HG3 GLU 102 HG3 GLU 102 31.164 -1.829 11.518 838 H PHE 103 H PHE 103 28.506 -1.429 6.932 839 HA PHE 103 HA PHE 103 25.823 -1.729 7.746 840 HB2 PHE 103 HB2 PHE 103 26.923 0.131 6.312 841 HB3 PHE 103 HB3 PHE 103 26.610 -0.944 4.953 842 HD1 PHE 103 HD2 PHE 103 24.115 -1.902 4.927 843 HD2 PHE 103 HD1 PHE 103 25.352 1.728 6.774 844 HE1 PHE 103 HE2 PHE 103 21.813 -1.047 4.780 845 HE2 PHE 103 HE1 PHE 103 23.051 2.588 6.632 846 HZ PHE 103 HZ PHE 103 21.278 1.201 5.633 847 H HIS 104 H HIS 104 27.701 -3.245 5.155 848 HA HIS 104 HA HIS 104 25.528 -4.746 4.099 849 HB2 HIS 104 HB2 HIS 104 27.342 -4.375 2.628 850 HB3 HIS 104 HB3 HIS 104 28.520 -4.946 3.807 851 HD1 HIS 104 HD1 HIS 104 29.028 -7.425 3.842 852 HD2 HIS 104 HD2 HIS 104 25.857 -6.451 1.340 853 HE1 HIS 104 HE1 HIS 104 28.532 -9.518 2.540 854 H GLU 105 H GLU 105 27.914 -5.316 6.596 855 HA GLU 105 HA GLU 105 27.692 -8.077 6.877 856 HB2 GLU 105 HB2 GLU 105 29.044 -6.074 8.186 857 HB3 GLU 105 HB3 GLU 105 27.913 -6.625 9.414 858 HG2 GLU 105 HG2 GLU 105 29.498 -8.641 7.905 859 HG3 GLU 105 HG3 GLU 105 30.282 -7.706 9.177 860 H LYS 106 H LYS 106 25.828 -5.505 8.476 861 HA LYS 106 HA LYS 106 24.117 -7.338 9.851 862 HB2 LYS 106 HB2 LYS 106 23.100 -5.476 10.780 863 HB3 LYS 106 HB3 LYS 106 24.711 -4.865 10.426 864 HG2 LYS 106 HG2 LYS 106 23.622 -4.124 8.173 865 HG3 LYS 106 HG3 LYS 106 22.118 -4.264 9.086 866 HD2 LYS 106 HD2 LYS 106 24.507 -2.582 9.846 867 HD3 LYS 106 HD3 LYS 106 22.989 -1.984 9.170 868 HE2 LYS 106 HE2 LYS 106 21.788 -2.812 11.128 869 HE3 LYS 106 HE3 LYS 106 23.294 -3.436 11.798 870 HZ1 LYS 106 HZ1 LYS 106 24.136 -1.115 11.766 871 HZ2 LYS 106 HZ2 LYS 106 22.835 -1.356 12.820 872 HZ3 LYS 106 HZ3 LYS 106 22.586 -0.593 11.331 873 H LEU 107 H LEU 107 24.003 -5.622 6.803 874 HA LEU 107 HA LEU 107 21.252 -6.018 6.263 875 HB2 LEU 107 HB2 LEU 107 23.196 -4.560 5.115 876 HB3 LEU 107 HB3 LEU 107 23.144 -5.921 3.996 877 HG LEU 107 HG LEU 107 21.763 -4.197 3.110 878 HD11 LEU 107 HD11 LEU 107 19.930 -6.204 4.409 879 HD12 LEU 107 HD12 LEU 107 20.921 -6.534 2.988 880 HD13 LEU 107 HD13 LEU 107 19.653 -5.311 2.914 881 HD21 LEU 107 HD21 LEU 107 19.735 -4.031 5.155 882 HD22 LEU 107 HD22 LEU 107 20.632 -2.742 4.352 883 HD23 LEU 107 HD23 LEU 107 21.308 -3.532 5.777 884 H ARG 108 H ARG 108 24.132 -7.942 5.679 885 HA ARG 108 HA ARG 108 22.949 -9.835 3.943 886 HB2 ARG 108 HB2 ARG 108 25.340 -9.662 4.029 887 HB3 ARG 108 HB3 ARG 108 25.357 -9.996 5.755 888 HG2 ARG 108 HG2 ARG 108 26.084 -11.912 4.398 889 HG3 ARG 108 HG3 ARG 108 24.654 -12.267 5.370 890 HD2 ARG 108 HD2 ARG 108 23.226 -12.133 3.494 891 HD3 ARG 108 HD3 ARG 108 24.478 -11.386 2.502 892 HE ARG 108 HE ARG 108 25.519 -13.810 3.170 893 HH11 ARG 108 HH11 ARG 108 22.558 -12.752 1.675 894 HH12 ARG 108 HH12 ARG 108 22.379 -14.183 0.715 895 HH21 ARG 108 HH21 ARG 108 25.294 -15.699 1.911 896 HH22 ARG 108 HH22 ARG 108 23.934 -15.859 0.851 897 H ASP 109 H ASP 109 23.434 -9.780 7.454 898 HA ASP 109 HA ASP 109 22.507 -12.332 8.057 899 HB2 ASP 109 HB2 ASP 109 23.531 -10.414 9.560 900 HB3 ASP 109 HB3 ASP 109 21.836 -10.061 9.881 901 H LEU 110 H LEU 110 20.693 -9.290 7.792 902 HA LEU 110 HA LEU 110 18.179 -10.290 8.495 903 HB2 LEU 110 HB2 LEU 110 18.556 -7.933 8.393 904 HB3 LEU 110 HB3 LEU 110 18.974 -8.021 6.683 905 HG LEU 110 HG LEU 110 16.522 -8.858 6.405 906 HD11 LEU 110 HD11 LEU 110 15.051 -8.566 8.080 907 HD12 LEU 110 HD12 LEU 110 15.853 -7.113 8.676 908 HD13 LEU 110 HD13 LEU 110 16.483 -8.705 9.100 909 HD21 LEU 110 HD21 LEU 110 17.704 -6.585 5.821 910 HD22 LEU 110 HD22 LEU 110 16.692 -5.973 7.129 911 HD23 LEU 110 HD23 LEU 110 15.950 -6.745 5.727 912 H LEU 111 H LEU 111 19.602 -9.845 5.259 913 HA LEU 111 HA LEU 111 17.467 -10.898 3.794 914 HB2 LEU 111 HB2 LEU 111 20.266 -10.235 3.318 915 HB3 LEU 111 HB3 LEU 111 19.695 -11.577 2.330 916 HG LEU 111 HG LEU 111 18.080 -10.233 1.258 917 HD11 LEU 111 HD11 LEU 111 17.137 -9.053 3.101 918 HD12 LEU 111 HD12 LEU 111 17.709 -7.856 1.939 919 HD13 LEU 111 HD13 LEU 111 18.646 -8.189 3.396 920 HD21 LEU 111 HD21 LEU 111 19.517 -8.137 0.647 921 HD22 LEU 111 HD22 LEU 111 20.053 -9.751 0.178 922 HD23 LEU 111 HD23 LEU 111 20.759 -8.962 1.589 923 H ILE 112 H ILE 112 20.105 -12.464 5.475 924 HA ILE 112 HA ILE 112 19.855 -15.024 4.314 925 HB ILE 112 HB ILE 112 20.989 -14.073 6.929 926 HG12 ILE 112 HG12 ILE 112 22.359 -15.478 4.639 927 HG13 ILE 112 HG13 ILE 112 22.138 -13.732 4.669 928 HG21 ILE 112 HG21 ILE 112 21.884 -16.419 7.175 929 HG22 ILE 112 HG22 ILE 112 20.162 -16.217 7.494 930 HG23 ILE 112 HG23 ILE 112 20.699 -16.906 5.963 931 HD11 ILE 112 HD11 ILE 112 23.651 -15.367 6.691 932 HD12 ILE 112 HD12 ILE 112 24.346 -14.330 5.444 933 HD13 ILE 112 HD13 ILE 112 23.408 -13.621 6.758 934 H SER 113 H SER 113 18.124 -13.399 6.870 935 HA SER 113 HA SER 113 16.912 -15.696 8.013 936 HB2 SER 113 HB2 SER 113 15.968 -14.226 9.451 937 HB3 SER 113 HB3 SER 113 17.037 -13.046 8.692 938 HG SER 113 HG SER 113 14.343 -13.191 8.639 939 H MET 114 H MET 114 16.149 -13.666 5.280 940 HA MET 114 HA MET 114 13.560 -14.978 4.925 941 HB2 MET 114 HB2 MET 114 14.751 -12.823 3.185 942 HB3 MET 114 HB3 MET 114 13.063 -13.299 3.310 943 HG2 MET 114 HG2 MET 114 12.741 -11.754 4.850 944 HG3 MET 114 HG3 MET 114 13.924 -12.542 5.892 945 HE1 MET 114 HE1 MET 114 12.716 -9.720 5.028 946 HE2 MET 114 HE2 MET 114 13.980 -8.767 5.806 947 HE3 MET 114 HE3 MET 114 13.769 -8.691 4.056 948 H GLU 115 H GLU 115 16.711 -15.527 4.104 949 HA GLU 115 HA GLU 115 17.739 -16.922 2.630 950 HB2 GLU 115 HB2 GLU 115 14.993 -17.851 1.796 951 HB3 GLU 115 HB3 GLU 115 16.507 -18.740 1.705 952 HG2 GLU 115 HG2 GLU 115 16.496 -18.423 4.303 953 HG3 GLU 115 HG3 GLU 115 14.766 -18.196 4.054 954 H LEU 116 H LEU 116 17.523 -14.386 1.759 955 HA LEU 116 HA LEU 116 16.595 -14.536 -1.022 956 HB2 LEU 116 HB2 LEU 116 17.038 -12.317 0.909 957 HB3 LEU 116 HB3 LEU 116 17.227 -11.979 -0.810 958 HG LEU 116 HG LEU 116 14.973 -11.449 0.223 959 HD11 LEU 116 HD11 LEU 116 15.119 -11.462 -2.123 960 HD12 LEU 116 HD12 LEU 116 13.740 -12.492 -1.737 961 HD13 LEU 116 HD13 LEU 116 15.284 -13.217 -2.186 962 HD21 LEU 116 HD21 LEU 116 13.507 -13.114 0.840 963 HD22 LEU 116 HD22 LEU 116 15.036 -13.755 1.442 964 HD23 LEU 116 HD23 LEU 116 14.363 -14.357 -0.074 965 H ALA 117 H ALA 117 17.978 -14.492 -2.693 966 HA ALA 117 HA ALA 117 20.716 -14.998 -2.317 967 HB1 ALA 117 HB1 ALA 117 18.932 -15.110 -4.439 968 HB2 ALA 117 HB2 ALA 117 20.131 -13.915 -4.936 969 HB3 ALA 117 HB3 ALA 117 20.643 -15.538 -4.474 970 H LEU 118 H LEU 118 22.522 -13.732 -2.451 971 HA LEU 118 HA LEU 118 22.085 -10.826 -2.671 972 HB2 LEU 118 HB2 LEU 118 22.574 -11.559 -0.366 973 HB3 LEU 118 HB3 LEU 118 24.097 -12.245 -0.929 974 HG LEU 118 HG LEU 118 24.472 -9.738 -1.743 975 HD11 LEU 118 HD11 LEU 118 23.516 -8.114 -0.334 976 HD12 LEU 118 HD12 LEU 118 22.860 -9.331 0.760 977 HD13 LEU 118 HD13 LEU 118 22.176 -9.136 -0.854 978 HD21 LEU 118 HD21 LEU 118 26.129 -9.887 -0.271 979 HD22 LEU 118 HD22 LEU 118 25.383 -11.367 0.332 980 HD23 LEU 118 HD23 LEU 118 25.006 -9.818 1.087 981 H GLU 119 H GLU 119 23.533 -9.645 -3.859 982 HA GLU 119 HA GLU 119 25.891 -10.967 -4.953 983 HB2 GLU 119 HB2 GLU 119 23.509 -10.115 -6.535 984 HB3 GLU 119 HB3 GLU 119 25.102 -9.883 -7.241 985 HG2 GLU 119 HG2 GLU 119 24.530 -12.543 -6.089 986 HG3 GLU 119 HG3 GLU 119 23.674 -12.107 -7.567 987 HA PRO 120 HA PRO 120 27.764 -7.014 -4.627 988 HB2 PRO 120 HB2 PRO 120 29.415 -6.971 -6.782 989 HB3 PRO 120 HB3 PRO 120 29.713 -7.983 -5.363 990 HG2 PRO 120 HG2 PRO 120 28.503 -8.724 -7.999 991 HG3 PRO 120 HG3 PRO 120 29.691 -9.610 -7.025 992 HD2 PRO 120 HD2 PRO 120 27.059 -10.247 -7.047 993 HD3 PRO 120 HD3 PRO 120 28.083 -10.464 -5.612 994 H SER 121 H SER 121 28.217 -4.950 -5.831 995 HA SER 121 HA SER 121 25.849 -4.186 -7.292 996 HB2 SER 121 HB2 SER 121 26.936 -2.746 -5.532 997 HB3 SER 121 HB3 SER 121 28.267 -2.483 -6.658 998 HG SER 121 HG SER 121 25.649 -2.001 -7.527 999 H ASP 122 H ASP 122 25.650 -3.955 -9.426 1000 HA ASP 122 HA ASP 122 27.598 -4.911 -11.208 1001 HB2 ASP 122 HB2 ASP 122 25.291 -3.081 -11.893 1002 HB3 ASP 122 HB3 ASP 122 26.118 -4.199 -12.974 1003 H ASP 123 H ASP 123 27.235 -1.868 -9.714 1004 HA ASP 123 HA ASP 123 28.558 -0.310 -11.728 1005 HB2 ASP 123 HB2 ASP 123 27.815 0.211 -8.854 1006 HB3 ASP 123 HB3 ASP 123 28.729 1.376 -9.809 1007 H PHE 124 H PHE 124 29.612 -2.589 -9.523 1008 HA PHE 124 HA PHE 124 32.293 -1.393 -9.340 1009 HB2 PHE 124 HB2 PHE 124 30.734 -3.217 -7.595 1010 HB3 PHE 124 HB3 PHE 124 32.466 -3.514 -7.693 1011 HD1 PHE 124 HD2 PHE 124 29.966 -0.865 -6.983 1012 HD2 PHE 124 HD1 PHE 124 33.954 -2.247 -6.434 1013 HE1 PHE 124 HE2 PHE 124 30.360 0.931 -5.348 1014 HE2 PHE 124 HE1 PHE 124 34.354 -0.453 -4.798 1015 HZ PHE 124 HZ PHE 124 32.556 1.139 -4.254 1016 H ASN 125 H ASN 125 34.025 -2.360 -10.253 1017 HA ASN 125 HA ASN 125 33.590 -4.955 -11.578 1018 HB2 ASN 125 HB2 ASN 125 35.067 -2.531 -12.618 1019 HB3 ASN 125 HB3 ASN 125 35.177 -4.127 -13.354 1020 HD21 ASN 125 HD21 ASN 125 33.969 -1.370 -14.047 1021 HD22 ASN 125 HD22 ASN 125 32.417 -1.779 -14.687 1022 H ASP 126 H ASP 126 34.504 -5.747 -9.513 1023 HA ASP 126 HA ASP 126 36.200 -6.577 -8.239 1024 HB2 ASP 126 HB2 ASP 126 36.672 -7.446 -10.663 1025 HB3 ASP 126 HB3 ASP 126 38.039 -6.336 -10.595 1026 H GLU 127 H GLU 127 35.859 -3.815 -8.018 1027 HA GLU 127 HA GLU 127 38.558 -3.042 -7.221 1028 HB2 GLU 127 HB2 GLU 127 38.050 -2.099 -9.523 1029 HB3 GLU 127 HB3 GLU 127 36.801 -1.129 -8.755 1030 HG2 GLU 127 HG2 GLU 127 38.325 0.174 -7.611 1031 HG3 GLU 127 HG3 GLU 127 39.603 -1.034 -7.734 1032 HA PRO 128 HA PRO 128 35.204 -2.127 -4.109 1033 HB2 PRO 128 HB2 PRO 128 36.427 -3.399 -2.045 1034 HB3 PRO 128 HB3 PRO 128 35.347 -4.222 -3.176 1035 HG2 PRO 128 HG2 PRO 128 38.339 -4.142 -3.131 1036 HG3 PRO 128 HG3 PRO 128 37.261 -5.519 -3.426 1037 HD2 PRO 128 HD2 PRO 128 38.496 -4.181 -5.430 1038 HD3 PRO 128 HD3 PRO 128 36.895 -4.924 -5.623 1039 H VAL 129 H VAL 129 35.296 -0.600 -2.461 1040 HA VAL 129 HA VAL 129 37.239 1.369 -2.587 1041 HB VAL 129 HB VAL 129 36.350 2.160 -0.383 1042 HG11 VAL 129 HG11 VAL 129 34.265 1.423 -2.435 1043 HG12 VAL 129 HG12 VAL 129 34.136 2.706 -1.229 1044 HG13 VAL 129 HG13 VAL 129 35.336 2.821 -2.518 1045 HG21 VAL 129 HG21 VAL 129 35.311 0.757 0.988 1046 HG22 VAL 129 HG22 VAL 129 34.071 0.459 -0.230 1047 HG23 VAL 129 HG23 VAL 129 35.523 -0.541 -0.186 1048 H LYS 130 H LYS 130 38.970 1.961 -1.268 1049 HA LYS 130 HA LYS 130 40.481 -0.231 -0.207 1050 HB2 LYS 130 HB2 LYS 130 40.940 2.700 -0.573 1051 HB3 LYS 130 HB3 LYS 130 41.992 1.807 0.518 1052 HG2 LYS 130 HG2 LYS 130 41.516 0.813 -2.259 1053 HG3 LYS 130 HG3 LYS 130 42.677 2.108 -1.956 1054 HD2 LYS 130 HD2 LYS 130 44.012 0.729 -0.588 1055 HD3 LYS 130 HD3 LYS 130 42.743 -0.490 -0.444 1056 HE2 LYS 130 HE2 LYS 130 43.009 -0.603 -3.056 1057 HE3 LYS 130 HE3 LYS 130 44.600 0.071 -2.709 1058 HZ1 LYS 130 HZ1 LYS 130 44.085 -2.057 -0.941 1059 HZ2 LYS 130 HZ2 LYS 130 45.301 -1.925 -2.108 1060 HZ3 LYS 130 HZ3 LYS 130 43.799 -2.585 -2.523 1061 H LEU 131 H LEU 131 39.563 -1.076 1.610 1062 HA LEU 131 HA LEU 131 38.517 0.532 3.724 1063 HB2 LEU 131 HB2 LEU 131 39.074 -2.375 3.341 1064 HB3 LEU 131 HB3 LEU 131 38.724 -1.763 4.957 1065 HG LEU 131 HG LEU 131 36.730 -2.694 3.931 1066 HD11 LEU 131 HD11 LEU 131 36.972 -0.146 5.063 1067 HD12 LEU 131 HD12 LEU 131 35.530 -1.158 4.987 1068 HD13 LEU 131 HD13 LEU 131 35.842 0.028 3.720 1069 HD21 LEU 131 HD21 LEU 131 35.737 -1.669 1.947 1070 HD22 LEU 131 HD22 LEU 131 37.323 -2.356 1.590 1071 HD23 LEU 131 HD23 LEU 131 37.140 -0.612 1.787 1072 H SER 132 H SER 132 41.626 -0.811 2.962 1073 HA SER 132 HA SER 132 42.648 -0.041 5.607 1074 HB2 SER 132 HB2 SER 132 44.598 -1.429 5.088 1075 HB3 SER 132 HB3 SER 132 43.113 -2.361 4.899 1076 HG SER 132 HG SER 132 45.002 -2.020 3.120 1077 H ALA 133 H ALA 133 42.190 2.174 4.385 1078 HA ALA 133 HA ALA 133 44.424 2.981 2.707 1079 HB1 ALA 133 HB1 ALA 133 41.782 3.747 2.822 1080 HB2 ALA 133 HB2 ALA 133 42.630 5.104 3.565 1081 HB3 ALA 133 HB3 ALA 133 43.065 4.575 1.940 Start of MODEL 2 1 H MET 1 H MET 1 1.511 0.033 0.810 2 HA MET 1 HA MET 1 0.900 -1.135 -1.824 3 HB2 MET 1 HB2 MET 1 2.813 1.090 -1.100 4 HB3 MET 1 HB3 MET 1 2.634 0.409 -2.711 5 HG2 MET 1 HG2 MET 1 0.439 1.768 -1.165 6 HG3 MET 1 HG3 MET 1 1.431 2.536 -2.403 7 HE1 MET 1 HE1 MET 1 -2.097 2.149 -2.637 8 HE2 MET 1 HE2 MET 1 -0.842 3.271 -3.162 9 HE3 MET 1 HE3 MET 1 -1.788 2.385 -4.358 10 H THR 2 H THR 2 1.837 -3.041 -2.110 11 HA THR 2 HA THR 2 4.237 -3.748 -0.632 12 HB THR 2 HB THR 2 3.929 -5.997 -1.588 13 HG1 THR 2 HG1 THR 2 2.419 -6.388 -3.097 14 HG21 THR 2 HG21 THR 2 2.527 -4.924 0.404 15 HG22 THR 2 HG22 THR 2 2.249 -6.574 -0.153 16 HG23 THR 2 HG23 THR 2 1.191 -5.271 -0.693 17 H LEU 3 H LEU 3 6.076 -4.758 -1.724 18 HA LEU 3 HA LEU 3 7.068 -3.142 -3.819 19 HB2 LEU 3 HB2 LEU 3 8.194 -5.828 -3.116 20 HB3 LEU 3 HB3 LEU 3 9.041 -4.387 -3.673 21 HG LEU 3 HG LEU 3 7.853 -4.836 -0.937 22 HD11 LEU 3 HD11 LEU 3 9.827 -5.964 -0.822 23 HD12 LEU 3 HD12 LEU 3 10.409 -4.337 -0.470 24 HD13 LEU 3 HD13 LEU 3 10.581 -5.003 -2.094 25 HD21 LEU 3 HD21 LEU 3 8.359 -2.406 -2.337 26 HD22 LEU 3 HD22 LEU 3 9.529 -2.562 -1.025 27 HD23 LEU 3 HD23 LEU 3 7.800 -2.635 -0.680 28 HA PRO 4 HA PRO 4 5.699 -5.169 -7.465 29 HB2 PRO 4 HB2 PRO 4 7.814 -4.757 -9.116 30 HB3 PRO 4 HB3 PRO 4 6.701 -3.469 -8.641 31 HG2 PRO 4 HG2 PRO 4 9.408 -4.132 -7.548 32 HG3 PRO 4 HG3 PRO 4 8.715 -2.546 -7.934 33 HD2 PRO 4 HD2 PRO 4 8.830 -3.510 -5.406 34 HD3 PRO 4 HD3 PRO 4 7.521 -2.449 -5.965 35 H SER 5 H SER 5 8.579 -6.184 -5.863 36 HA SER 5 HA SER 5 9.140 -8.421 -7.568 37 HB2 SER 5 HB2 SER 5 10.399 -9.016 -5.217 38 HB3 SER 5 HB3 SER 5 11.083 -7.997 -6.483 39 HG SER 5 HG SER 5 10.114 -7.316 -3.991 40 H GLY 6 H GLY 6 6.947 -7.799 -5.019 41 HA2 GLY 6 HA2 GLY 6 5.114 -9.361 -4.722 42 HA3 GLY 6 HA3 GLY 6 6.268 -10.669 -4.938 43 H HIS 7 H HIS 7 7.784 -8.399 -3.105 44 HA HIS 7 HA HIS 7 7.236 -9.904 -0.662 45 HB2 HIS 7 HB2 HIS 7 9.526 -8.477 -1.758 46 HB3 HIS 7 HB3 HIS 7 9.212 -8.038 -0.082 47 HD1 HIS 7 HD1 HIS 7 8.789 -11.478 -1.611 48 HD2 HIS 7 HD2 HIS 7 11.156 -9.492 1.166 49 HE1 HIS 7 HE1 HIS 7 10.188 -13.261 -0.522 50 HA PRO 8 HA PRO 8 4.807 -6.760 1.210 51 HB2 PRO 8 HB2 PRO 8 5.414 -7.163 3.825 52 HB3 PRO 8 HB3 PRO 8 4.394 -8.267 2.894 53 HG2 PRO 8 HG2 PRO 8 7.300 -8.494 3.580 54 HG3 PRO 8 HG3 PRO 8 6.041 -9.743 3.612 55 HD2 PRO 8 HD2 PRO 8 7.817 -9.517 1.580 56 HD3 PRO 8 HD3 PRO 8 6.156 -10.096 1.337 57 H LYS 9 H LYS 9 5.161 -4.639 1.245 58 HA LYS 9 HA LYS 9 7.749 -3.514 1.563 59 HB2 LYS 9 HB2 LYS 9 5.870 -2.558 0.178 60 HB3 LYS 9 HB3 LYS 9 5.108 -2.054 1.681 61 HG2 LYS 9 HG2 LYS 9 6.863 -0.545 2.172 62 HG3 LYS 9 HG3 LYS 9 7.883 -1.209 0.894 63 HD2 LYS 9 HD2 LYS 9 5.972 -0.483 -0.688 64 HD3 LYS 9 HD3 LYS 9 5.450 0.528 0.661 65 HE2 LYS 9 HE2 LYS 9 8.125 0.597 -0.730 66 HE3 LYS 9 HE3 LYS 9 6.855 1.817 -0.818 67 HZ1 LYS 9 HZ1 LYS 9 8.541 1.118 1.515 68 HZ2 LYS 9 HZ2 LYS 9 7.141 2.057 1.652 69 HZ3 LYS 9 HZ3 LYS 9 8.438 2.605 0.715 70 H SER 10 H SER 10 4.828 -3.426 3.596 71 HA SER 10 HA SER 10 5.817 -1.889 5.680 72 HB2 SER 10 HB2 SER 10 3.432 -2.757 5.316 73 HB3 SER 10 HB3 SER 10 3.969 -4.233 6.117 74 HG SER 10 HG SER 10 3.024 -2.706 7.566 75 H ARG 11 H ARG 11 6.213 -5.324 5.036 76 HA ARG 11 HA ARG 11 7.415 -5.960 7.536 77 HB2 ARG 11 HB2 ARG 11 6.392 -7.450 5.533 78 HB3 ARG 11 HB3 ARG 11 8.105 -7.590 5.161 79 HG2 ARG 11 HG2 ARG 11 7.751 -9.410 6.521 80 HG3 ARG 11 HG3 ARG 11 8.340 -8.206 7.668 81 HD2 ARG 11 HD2 ARG 11 6.254 -7.885 8.605 82 HD3 ARG 11 HD3 ARG 11 5.408 -8.458 7.168 83 HE ARG 11 HE ARG 11 6.795 -10.629 8.141 84 HH11 ARG 11 HH11 ARG 11 4.336 -8.461 9.313 85 HH12 ARG 11 HH12 ARG 11 3.608 -9.641 10.353 86 HH21 ARG 11 HH21 ARG 11 5.846 -12.190 9.506 87 HH22 ARG 11 HH22 ARG 11 4.468 -11.761 10.463 88 H LEU 12 H LEU 12 8.718 -5.257 4.309 89 HA LEU 12 HA LEU 12 11.422 -5.641 4.895 90 HB2 LEU 12 HB2 LEU 12 9.867 -4.245 2.821 91 HB3 LEU 12 HB3 LEU 12 11.519 -3.674 3.042 92 HG LEU 12 HG LEU 12 11.426 -5.302 1.257 93 HD11 LEU 12 HD11 LEU 12 13.033 -5.554 3.610 94 HD12 LEU 12 HD12 LEU 12 13.462 -5.863 1.928 95 HD13 LEU 12 HD13 LEU 12 12.755 -7.148 2.908 96 HD21 LEU 12 HD21 LEU 12 10.940 -7.742 2.111 97 HD22 LEU 12 HD22 LEU 12 9.633 -6.691 1.566 98 HD23 LEU 12 HD23 LEU 12 9.943 -6.892 3.291 99 H ILE 13 H ILE 13 9.478 -2.665 5.011 100 HA ILE 13 HA ILE 13 11.475 -0.898 5.789 101 HB ILE 13 HB ILE 13 8.554 -0.863 6.554 102 HG12 ILE 13 HG12 ILE 13 9.023 -0.853 4.115 103 HG13 ILE 13 HG13 ILE 13 8.281 0.644 4.670 104 HG21 ILE 13 HG21 ILE 13 9.573 0.602 8.061 105 HG22 ILE 13 HG22 ILE 13 10.734 1.172 6.863 106 HG23 ILE 13 HG23 ILE 13 9.040 1.647 6.745 107 HD11 ILE 13 HD11 ILE 13 10.489 1.710 4.681 108 HD12 ILE 13 HD12 ILE 13 11.196 0.216 4.066 109 HD13 ILE 13 HD13 ILE 13 10.035 1.111 3.086 110 H LYS 14 H LYS 14 9.298 -2.835 7.826 111 HA LYS 14 HA LYS 14 10.331 -1.936 10.296 112 HB2 LYS 14 HB2 LYS 14 8.876 -4.484 9.570 113 HB3 LYS 14 HB3 LYS 14 9.234 -3.990 11.220 114 HG2 LYS 14 HG2 LYS 14 7.766 -2.103 9.449 115 HG3 LYS 14 HG3 LYS 14 6.906 -3.489 10.126 116 HD2 LYS 14 HD2 LYS 14 6.542 -1.961 11.787 117 HD3 LYS 14 HD3 LYS 14 8.060 -2.658 12.357 118 HE2 LYS 14 HE2 LYS 14 9.303 -0.816 11.684 119 HE3 LYS 14 HE3 LYS 14 8.075 -0.282 10.537 120 HZ1 LYS 14 HZ1 LYS 14 6.654 0.080 12.621 121 HZ2 LYS 14 HZ2 LYS 14 7.874 1.202 12.283 122 HZ3 LYS 14 HZ3 LYS 14 8.115 0.021 13.471 123 H LYS 15 H LYS 15 11.022 -4.832 8.356 124 HA LYS 15 HA LYS 15 12.857 -6.031 10.077 125 HB2 LYS 15 HB2 LYS 15 12.568 -6.098 7.079 126 HB3 LYS 15 HB3 LYS 15 13.792 -7.042 7.919 127 HG2 LYS 15 HG2 LYS 15 12.098 -8.251 9.129 128 HG3 LYS 15 HG3 LYS 15 10.832 -7.234 8.437 129 HD2 LYS 15 HD2 LYS 15 10.653 -8.865 6.903 130 HD3 LYS 15 HD3 LYS 15 12.098 -8.138 6.198 131 HE2 LYS 15 HE2 LYS 15 13.374 -9.892 6.747 132 HE3 LYS 15 HE3 LYS 15 12.690 -9.991 8.368 133 HZ1 LYS 15 HZ1 LYS 15 10.852 -11.236 7.542 134 HZ2 LYS 15 HZ2 LYS 15 12.262 -11.968 6.962 135 HZ3 LYS 15 HZ3 LYS 15 11.326 -11.003 5.935 136 H PHE 16 H PHE 16 13.445 -3.783 7.382 137 HA PHE 16 HA PHE 16 16.226 -3.664 7.610 138 HB2 PHE 16 HB2 PHE 16 14.199 -1.689 6.572 139 HB3 PHE 16 HB3 PHE 16 15.928 -1.365 6.521 140 HD1 PHE 16 HD2 PHE 16 17.046 -3.958 5.809 141 HD2 PHE 16 HD1 PHE 16 13.539 -2.012 4.385 142 HE1 PHE 16 HE2 PHE 16 17.217 -5.204 3.694 143 HE2 PHE 16 HE1 PHE 16 13.704 -3.255 2.268 144 HZ PHE 16 HZ PHE 16 15.544 -4.854 1.921 145 H THR 17 H THR 17 13.698 -1.997 9.367 146 HA THR 17 HA THR 17 15.269 0.006 10.566 147 HB THR 17 HB THR 17 12.797 -1.319 11.699 148 HG1 THR 17 HG1 THR 17 11.718 0.423 10.653 149 HG21 THR 17 HG21 THR 17 14.524 0.773 12.676 150 HG22 THR 17 HG22 THR 17 13.138 0.012 13.456 151 HG23 THR 17 HG23 THR 17 12.899 1.392 12.386 152 H ALA 18 H ALA 18 15.044 -3.373 11.145 153 HA ALA 18 HA ALA 18 15.964 -3.313 13.864 154 HB1 ALA 18 HB1 ALA 18 14.677 -5.177 12.441 155 HB2 ALA 18 HB2 ALA 18 16.330 -5.767 12.256 156 HB3 ALA 18 HB3 ALA 18 15.644 -5.554 13.867 157 H LEU 19 H LEU 19 17.458 -2.757 10.929 158 HA LEU 19 HA LEU 19 20.070 -3.700 11.889 159 HB2 LEU 19 HB2 LEU 19 19.480 -2.666 9.135 160 HB3 LEU 19 HB3 LEU 19 20.833 -3.663 9.664 161 HG LEU 19 HG LEU 19 17.998 -4.669 9.659 162 HD11 LEU 19 HD11 LEU 19 19.212 -5.857 7.519 163 HD12 LEU 19 HD12 LEU 19 19.797 -4.197 7.407 164 HD13 LEU 19 HD13 LEU 19 18.064 -4.521 7.430 165 HD21 LEU 19 HD21 LEU 19 19.377 -6.029 10.993 166 HD22 LEU 19 HD22 LEU 19 20.721 -5.927 9.855 167 HD23 LEU 19 HD23 LEU 19 19.278 -6.854 9.437 168 H GLY 20 H GLY 20 18.273 -1.039 12.147 169 HA2 GLY 20 HA2 GLY 20 20.225 0.672 13.027 170 HA3 GLY 20 HA3 GLY 20 20.106 0.999 11.304 171 HA PRO 21 HA PRO 21 17.109 3.872 13.171 172 HB2 PRO 21 HB2 PRO 21 17.321 5.708 11.183 173 HB3 PRO 21 HB3 PRO 21 18.460 5.616 12.531 174 HG2 PRO 21 HG2 PRO 21 18.732 4.555 9.745 175 HG3 PRO 21 HG3 PRO 21 19.930 5.401 10.742 176 HD2 PRO 21 HD2 PRO 21 19.930 2.711 10.434 177 HD3 PRO 21 HD3 PRO 21 20.469 3.500 11.930 178 H TYR 22 H TYR 22 15.077 4.755 12.335 179 HA TYR 22 HA TYR 22 13.604 2.849 10.882 180 HB2 TYR 22 HB2 TYR 22 11.831 4.671 10.842 181 HB3 TYR 22 HB3 TYR 22 12.414 4.192 12.432 182 HD1 TYR 22 HD1 TYR 22 12.839 6.776 9.791 183 HD2 TYR 22 HD2 TYR 22 13.283 5.791 13.906 184 HE1 TYR 22 HE1 TYR 22 13.388 9.121 10.287 185 HE2 TYR 22 HE2 TYR 22 13.832 8.133 14.414 186 HH TYR 22 HH TYR 22 14.244 10.519 11.859 187 H ILE 23 H ILE 23 12.885 2.777 8.792 188 HA ILE 23 HA ILE 23 14.351 4.441 6.892 189 HB ILE 23 HB ILE 23 12.667 1.973 6.457 190 HG12 ILE 23 HG12 ILE 23 15.059 1.168 5.724 191 HG13 ILE 23 HG13 ILE 23 15.603 2.492 6.748 192 HG21 ILE 23 HG21 ILE 23 13.720 3.961 4.602 193 HG22 ILE 23 HG22 ILE 23 14.207 2.312 4.214 194 HG23 ILE 23 HG23 ILE 23 12.497 2.716 4.355 195 HD11 ILE 23 HD11 ILE 23 13.704 0.401 7.746 196 HD12 ILE 23 HD12 ILE 23 15.454 0.184 7.792 197 HD13 ILE 23 HD13 ILE 23 14.708 1.517 8.673 198 H ARG 24 H ARG 24 13.425 5.885 5.540 199 HA ARG 24 HA ARG 24 10.785 6.805 6.137 200 HB2 ARG 24 HB2 ARG 24 12.759 8.241 5.437 201 HB3 ARG 24 HB3 ARG 24 12.497 7.648 3.802 202 HG2 ARG 24 HG2 ARG 24 10.257 8.916 5.317 203 HG3 ARG 24 HG3 ARG 24 11.476 9.911 4.517 204 HD2 ARG 24 HD2 ARG 24 10.925 8.261 2.504 205 HD3 ARG 24 HD3 ARG 24 9.386 8.153 3.357 206 HE ARG 24 HE ARG 24 8.893 10.250 2.612 207 HH11 ARG 24 HH11 ARG 24 12.340 9.792 2.441 208 HH12 ARG 24 HH12 ARG 24 12.634 11.308 1.656 209 HH21 ARG 24 HH21 ARG 24 9.267 12.249 1.579 210 HH22 ARG 24 HH22 ARG 24 10.885 12.705 1.167 211 H GLU 25 H GLU 25 9.296 5.239 5.600 212 HA GLU 25 HA GLU 25 9.261 4.210 2.869 213 HB2 GLU 25 HB2 GLU 25 7.848 2.527 3.616 214 HB3 GLU 25 HB3 GLU 25 8.856 2.820 5.026 215 HG2 GLU 25 HG2 GLU 25 6.072 3.868 4.573 216 HG3 GLU 25 HG3 GLU 25 6.543 2.574 5.674 217 H GLY 26 H GLY 26 7.244 4.221 1.636 218 HA2 GLY 26 HA2 GLY 26 5.244 6.193 2.365 219 HA3 GLY 26 HA3 GLY 26 6.242 6.623 0.984 220 H GLN 27 H GLN 27 3.319 5.936 1.317 221 HA GLN 27 HA GLN 27 3.214 3.764 -0.672 222 HB2 GLN 27 HB2 GLN 27 1.163 4.562 1.399 223 HB3 GLN 27 HB3 GLN 27 0.893 3.360 0.144 224 HG2 GLN 27 HG2 GLN 27 2.455 1.877 1.076 225 HG3 GLN 27 HG3 GLN 27 3.140 3.126 2.115 226 HE21 GLN 27 HE21 GLN 27 2.099 3.681 4.007 227 HE22 GLN 27 HE22 GLN 27 0.816 2.738 4.678 228 H CYS 28 H CYS 28 3.739 6.032 -1.837 229 HA CYS 28 HA CYS 28 1.150 7.064 -2.795 230 HB2 CYS 28 HB2 CYS 28 2.453 9.139 -3.425 231 HB3 CYS 28 HB3 CYS 28 2.261 8.864 -1.698 232 HG CYS 28 HG CYS 28 4.756 8.982 -1.135 233 H GLU 29 H GLU 29 4.421 6.094 -3.672 234 HA GLU 29 HA GLU 29 3.510 5.247 -6.270 235 HB2 GLU 29 HB2 GLU 29 5.089 6.600 -7.557 236 HB3 GLU 29 HB3 GLU 29 3.942 7.618 -6.698 237 HG2 GLU 29 HG2 GLU 29 5.849 7.638 -4.880 238 HG3 GLU 29 HG3 GLU 29 6.858 7.270 -6.277 239 H ASP 30 H ASP 30 5.466 4.392 -7.571 240 HA ASP 30 HA ASP 30 6.839 2.532 -5.882 241 HB2 ASP 30 HB2 ASP 30 7.038 3.073 -8.851 242 HB3 ASP 30 HB3 ASP 30 7.870 1.757 -8.027 243 H ASN 31 H ASN 31 8.730 2.806 -4.911 244 HA ASN 31 HA ASN 31 10.842 4.341 -6.158 245 HB2 ASN 31 HB2 ASN 31 9.259 5.854 -4.667 246 HB3 ASN 31 HB3 ASN 31 10.205 5.157 -3.355 247 HD21 ASN 31 HD21 ASN 31 10.427 7.729 -3.495 248 HD22 ASN 31 HD22 ASN 31 11.905 8.239 -4.230 249 H ARG 32 H ARG 32 12.775 4.434 -4.485 250 HA ARG 32 HA ARG 32 13.109 1.682 -3.541 251 HB2 ARG 32 HB2 ARG 32 15.183 3.837 -3.987 252 HB3 ARG 32 HB3 ARG 32 15.511 2.163 -3.560 253 HG2 ARG 32 HG2 ARG 32 14.864 1.374 -5.657 254 HG3 ARG 32 HG3 ARG 32 14.005 2.865 -6.051 255 HD2 ARG 32 HD2 ARG 32 16.986 2.714 -5.650 256 HD3 ARG 32 HD3 ARG 32 16.206 2.546 -7.222 257 HE ARG 32 HE ARG 32 15.460 4.937 -5.814 258 HH11 ARG 32 HH11 ARG 32 17.795 3.483 -7.948 259 HH12 ARG 32 HH12 ARG 32 18.305 4.991 -8.630 260 HH21 ARG 32 HH21 ARG 32 16.124 6.930 -6.703 261 HH22 ARG 32 HH22 ARG 32 17.355 6.952 -7.920 262 H PHE 33 H PHE 33 14.303 1.323 -1.523 263 HA PHE 33 HA PHE 33 13.154 2.787 0.619 264 HB2 PHE 33 HB2 PHE 33 15.379 0.737 0.603 265 HB3 PHE 33 HB3 PHE 33 14.602 1.356 2.056 266 HD1 PHE 33 HD1 PHE 33 12.000 1.106 2.127 267 HD2 PHE 33 HD2 PHE 33 14.576 -1.186 -0.369 268 HE1 PHE 33 HE1 PHE 33 10.267 -0.630 1.940 269 HE2 PHE 33 HE2 PHE 33 12.846 -2.926 -0.561 270 HZ PHE 33 HZ PHE 33 10.689 -2.649 0.595 271 H PHE 34 H PHE 34 13.920 4.432 1.811 272 HA PHE 34 HA PHE 34 16.507 5.567 1.025 273 HB2 PHE 34 HB2 PHE 34 13.950 6.694 2.021 274 HB3 PHE 34 HB3 PHE 34 15.422 7.497 2.558 275 HD1 PHE 34 HD2 PHE 34 17.192 7.583 0.395 276 HD2 PHE 34 HD1 PHE 34 12.943 7.802 0.296 277 HE1 PHE 34 HE2 PHE 34 17.308 8.799 -1.740 278 HE2 PHE 34 HE1 PHE 34 13.052 9.017 -1.840 279 HZ PHE 34 HZ PHE 34 15.236 9.519 -2.861 280 H PHE 35 H PHE 35 18.195 5.350 2.323 281 HA PHE 35 HA PHE 35 17.714 4.747 5.165 282 HB2 PHE 35 HB2 PHE 35 19.801 3.807 3.231 283 HB3 PHE 35 HB3 PHE 35 20.169 3.854 4.952 284 HD1 PHE 35 HD2 PHE 35 17.188 2.839 2.945 285 HD2 PHE 35 HD1 PHE 35 20.063 1.774 5.898 286 HE1 PHE 35 HE2 PHE 35 16.079 0.662 3.235 287 HE2 PHE 35 HE1 PHE 35 18.958 -0.405 6.192 288 HZ PHE 35 HZ PHE 35 16.964 -0.964 4.859 289 H ASP 36 H ASP 36 18.609 6.006 6.698 290 HA ASP 36 HA ASP 36 20.218 8.289 5.777 291 HB2 ASP 36 HB2 ASP 36 18.187 9.028 6.808 292 HB3 ASP 36 HB3 ASP 36 18.421 7.949 8.180 293 H CYS 37 H CYS 37 22.322 8.038 6.102 294 HA CYS 37 HA CYS 37 23.226 6.517 8.450 295 HB2 CYS 37 HB2 CYS 37 24.696 7.207 5.897 296 HB3 CYS 37 HB3 CYS 37 25.377 6.298 7.241 297 HG CYS 37 HG CYS 37 24.711 4.033 6.256 298 H LEU 38 H LEU 38 23.541 7.869 10.109 299 HA LEU 38 HA LEU 38 24.950 10.402 9.595 300 HB2 LEU 38 HB2 LEU 38 23.282 9.670 11.995 301 HB3 LEU 38 HB3 LEU 38 23.970 11.250 11.624 302 HG LEU 38 HG LEU 38 21.697 9.859 10.218 303 HD11 LEU 38 HD11 LEU 38 21.966 12.085 12.147 304 HD12 LEU 38 HD12 LEU 38 20.670 10.906 11.943 305 HD13 LEU 38 HD13 LEU 38 20.787 12.285 10.850 306 HD21 LEU 38 HD21 LEU 38 22.550 10.861 8.382 307 HD22 LEU 38 HD22 LEU 38 23.504 12.012 9.317 308 HD23 LEU 38 HD23 LEU 38 21.778 12.287 9.076 309 H ALA 39 H ALA 39 27.042 9.565 9.673 310 HA ALA 39 HA ALA 39 27.906 8.114 12.037 311 HB1 ALA 39 HB1 ALA 39 29.216 8.866 9.450 312 HB2 ALA 39 HB2 ALA 39 30.167 8.276 10.814 313 HB3 ALA 39 HB3 ALA 39 28.903 7.263 10.116 314 H VAL 40 H VAL 40 28.938 11.092 10.358 315 HA VAL 40 HA VAL 40 29.501 12.292 12.975 316 HB VAL 40 HB VAL 40 31.566 13.356 11.880 317 HG11 VAL 40 HG11 VAL 40 31.191 10.766 13.141 318 HG12 VAL 40 HG12 VAL 40 32.663 10.838 12.170 319 HG13 VAL 40 HG13 VAL 40 32.396 12.014 13.457 320 HG21 VAL 40 HG21 VAL 40 32.284 12.678 9.875 321 HG22 VAL 40 HG22 VAL 40 31.997 10.979 10.251 322 HG23 VAL 40 HG23 VAL 40 30.675 11.987 9.665 323 H CYS 41 H CYS 41 29.683 14.643 12.902 324 HA CYS 41 HA CYS 41 27.742 15.761 11.077 325 HB2 CYS 41 HB2 CYS 41 27.990 17.809 12.428 326 HB3 CYS 41 HB3 CYS 41 27.666 16.399 13.430 327 HG CYS 41 HG CYS 41 29.774 18.514 14.164 328 H VAL 42 H VAL 42 28.099 17.514 9.674 329 HA VAL 42 HA VAL 42 30.685 17.477 8.403 330 HB VAL 42 HB VAL 42 28.258 19.162 7.768 331 HG11 VAL 42 HG11 VAL 42 29.480 20.178 6.217 332 HG12 VAL 42 HG12 VAL 42 30.909 19.351 6.840 333 HG13 VAL 42 HG13 VAL 42 29.967 18.626 5.536 334 HG21 VAL 42 HG21 VAL 42 27.985 16.650 7.647 335 HG22 VAL 42 HG22 VAL 42 27.652 17.537 6.159 336 HG23 VAL 42 HG23 VAL 42 29.178 16.674 6.348 337 H ASN 43 H ASN 43 28.811 19.721 10.365 338 HA ASN 43 HA ASN 43 31.054 21.077 11.347 339 HB2 ASN 43 HB2 ASN 43 30.392 23.339 10.180 340 HB3 ASN 43 HB3 ASN 43 31.479 22.211 9.376 341 HD21 ASN 43 HD21 ASN 43 27.971 22.639 9.743 342 HD22 ASN 43 HD22 ASN 43 27.603 22.438 8.067 343 H VAL 44 H VAL 44 30.504 22.787 12.814 344 HA VAL 44 HA VAL 44 27.643 22.810 13.528 345 HB VAL 44 HB VAL 44 28.470 23.346 15.866 346 HG11 VAL 44 HG11 VAL 44 27.956 21.219 16.237 347 HG12 VAL 44 HG12 VAL 44 28.156 20.888 14.515 348 HG13 VAL 44 HG13 VAL 44 29.524 20.705 15.614 349 HG21 VAL 44 HG21 VAL 44 30.865 23.740 14.769 350 HG22 VAL 44 HG22 VAL 44 30.667 23.219 16.442 351 HG23 VAL 44 HG23 VAL 44 31.042 22.036 15.189 352 H LYS 45 H LYS 45 30.242 24.667 12.474 353 HA LYS 45 HA LYS 45 29.984 27.106 13.734 354 HB2 LYS 45 HB2 LYS 45 30.984 26.164 11.146 355 HB3 LYS 45 HB3 LYS 45 30.424 27.831 11.115 356 HG2 LYS 45 HG2 LYS 45 32.048 28.550 12.565 357 HG3 LYS 45 HG3 LYS 45 32.241 26.961 13.309 358 HD2 LYS 45 HD2 LYS 45 34.141 26.970 12.066 359 HD3 LYS 45 HD3 LYS 45 33.038 26.364 10.829 360 HE2 LYS 45 HE2 LYS 45 32.732 28.657 10.003 361 HE3 LYS 45 HE3 LYS 45 33.863 29.240 11.224 362 HZ1 LYS 45 HZ1 LYS 45 35.029 27.132 9.745 363 HZ2 LYS 45 HZ2 LYS 45 35.553 28.731 9.910 364 HZ3 LYS 45 HZ3 LYS 45 34.462 28.322 8.684 365 HA PRO 46 HA PRO 46 26.568 28.391 10.567 366 HB2 PRO 46 HB2 PRO 46 25.501 26.429 9.024 367 HB3 PRO 46 HB3 PRO 46 26.914 27.373 8.537 368 HG2 PRO 46 HG2 PRO 46 26.789 24.635 9.741 369 HG3 PRO 46 HG3 PRO 46 27.797 25.225 8.407 370 HD2 PRO 46 HD2 PRO 46 28.741 24.935 10.928 371 HD3 PRO 46 HD3 PRO 46 29.328 26.199 9.828 372 H ALA 47 H ALA 47 24.253 28.316 10.715 373 HA ALA 47 HA ALA 47 23.231 27.452 13.127 374 HB1 ALA 47 HB1 ALA 47 21.069 27.471 11.318 375 HB2 ALA 47 HB2 ALA 47 21.583 28.754 12.414 376 HB3 ALA 47 HB3 ALA 47 22.212 28.697 10.767 377 HA PRO 48 HA PRO 48 22.303 23.174 12.823 378 HB2 PRO 48 HB2 PRO 48 19.915 23.004 14.103 379 HB3 PRO 48 HB3 PRO 48 21.438 23.309 14.947 380 HG2 PRO 48 HG2 PRO 48 19.320 25.248 14.102 381 HG3 PRO 48 HG3 PRO 48 20.218 25.168 15.629 382 HD2 PRO 48 HD2 PRO 48 20.850 26.914 13.658 383 HD3 PRO 48 HD3 PRO 48 22.070 26.213 14.741 384 H GLU 49 H GLU 49 19.791 25.401 11.760 385 HA GLU 49 HA GLU 49 18.127 23.528 10.475 386 HB2 GLU 49 HB2 GLU 49 17.104 25.406 9.384 387 HB3 GLU 49 HB3 GLU 49 17.496 25.878 11.031 388 HG2 GLU 49 HG2 GLU 49 19.706 26.747 9.877 389 HG3 GLU 49 HG3 GLU 49 18.655 26.801 8.463 390 H LYS 50 H LYS 50 21.133 24.980 9.568 391 HA LYS 50 HA LYS 50 20.886 23.844 6.862 392 HB2 LYS 50 HB2 LYS 50 22.654 26.064 7.899 393 HB3 LYS 50 HB3 LYS 50 22.781 25.380 6.284 394 HG2 LYS 50 HG2 LYS 50 20.845 26.357 5.563 395 HG3 LYS 50 HG3 LYS 50 20.141 26.411 7.181 396 HD2 LYS 50 HD2 LYS 50 20.626 28.636 6.817 397 HD3 LYS 50 HD3 LYS 50 22.082 28.095 7.656 398 HE2 LYS 50 HE2 LYS 50 22.719 29.434 5.761 399 HE3 LYS 50 HE3 LYS 50 23.168 27.757 5.455 400 HZ1 LYS 50 HZ1 LYS 50 21.778 29.320 3.757 401 HZ2 LYS 50 HZ2 LYS 50 20.536 28.457 4.515 402 HZ3 LYS 50 HZ3 LYS 50 21.782 27.628 3.726 403 H ARG 51 H ARG 51 21.765 22.667 9.569 404 HA ARG 51 HA ARG 51 24.534 22.048 9.281 405 HB2 ARG 51 HB2 ARG 51 23.098 22.000 11.418 406 HB3 ARG 51 HB3 ARG 51 22.563 20.418 10.866 407 HG2 ARG 51 HG2 ARG 51 24.728 19.510 11.043 408 HG3 ARG 51 HG3 ARG 51 25.465 21.105 11.205 409 HD2 ARG 51 HD2 ARG 51 23.523 19.963 13.202 410 HD3 ARG 51 HD3 ARG 51 25.271 19.774 13.333 411 HE ARG 51 HE ARG 51 24.598 22.502 13.024 412 HH11 ARG 51 HH11 ARG 51 24.518 19.911 15.348 413 HH12 ARG 51 HH12 ARG 51 24.617 20.964 16.720 414 HH21 ARG 51 HH21 ARG 51 24.729 23.899 14.823 415 HH22 ARG 51 HH22 ARG 51 24.736 23.232 16.421 416 H GLU 52 H GLU 52 25.472 20.021 8.758 417 HA GLU 52 HA GLU 52 23.760 18.166 7.261 418 HB2 GLU 52 HB2 GLU 52 26.445 19.122 6.261 419 HB3 GLU 52 HB3 GLU 52 25.332 18.040 5.436 420 HG2 GLU 52 HG2 GLU 52 23.773 19.787 5.063 421 HG3 GLU 52 HG3 GLU 52 24.649 20.881 6.132 422 H PHE 53 H PHE 53 24.607 16.028 7.054 423 HA PHE 53 HA PHE 53 26.820 15.409 8.892 424 HB2 PHE 53 HB2 PHE 53 24.382 13.657 8.614 425 HB3 PHE 53 HB3 PHE 53 25.642 13.581 9.842 426 HD1 PHE 53 HD2 PHE 53 25.865 16.333 10.733 427 HD2 PHE 53 HD1 PHE 53 22.402 14.078 9.716 428 HE1 PHE 53 HE2 PHE 53 24.509 17.755 12.213 429 HE2 PHE 53 HE1 PHE 53 21.040 15.496 11.194 430 HZ PHE 53 HZ PHE 53 22.092 17.338 12.444 431 H TRP 54 H TRP 54 28.087 13.612 8.365 432 HA TRP 54 HA TRP 54 28.176 13.018 5.545 433 HB2 TRP 54 HB2 TRP 54 29.902 12.053 7.835 434 HB3 TRP 54 HB3 TRP 54 30.217 11.734 6.132 435 HD1 TRP 54 HD1 TRP 54 31.194 14.044 8.771 436 HE1 TRP 54 HE1 TRP 54 32.268 16.173 7.804 437 HE3 TRP 54 HE3 TRP 54 29.780 13.519 3.886 438 HZ2 TRP 54 HZ2 TRP 54 32.487 17.460 5.301 439 HZ3 TRP 54 HZ3 TRP 54 30.463 15.243 2.270 440 HH2 TRP 54 HH2 TRP 54 31.787 17.173 2.964 441 H GLY 55 H GLY 55 28.212 10.865 4.660 442 HA2 GLY 55 HA2 GLY 55 27.716 8.481 5.892 443 HA3 GLY 55 HA3 GLY 55 26.127 9.221 5.762 444 H TRP 56 H TRP 56 26.129 7.004 4.503 445 HA TRP 56 HA TRP 56 26.443 7.713 1.668 446 HB2 TRP 56 HB2 TRP 56 27.095 5.324 1.231 447 HB3 TRP 56 HB3 TRP 56 28.295 6.260 2.118 448 HD1 TRP 56 HD1 TRP 56 28.666 5.640 4.710 449 HE1 TRP 56 HE1 TRP 56 28.154 3.496 6.038 450 HE3 TRP 56 HE3 TRP 56 25.447 3.404 1.428 451 HZ2 TRP 56 HZ2 TRP 56 26.592 1.164 5.734 452 HZ3 TRP 56 HZ3 TRP 56 24.488 1.217 2.022 453 HH2 TRP 56 HH2 TRP 56 25.051 0.122 4.131 454 H TRP 57 H TRP 57 24.551 7.616 0.673 455 HA TRP 57 HA TRP 57 22.338 6.185 1.883 456 HB2 TRP 57 HB2 TRP 57 20.957 7.290 0.211 457 HB3 TRP 57 HB3 TRP 57 22.025 8.465 0.974 458 HD1 TRP 57 HD1 TRP 57 21.352 6.754 -2.367 459 HE1 TRP 57 HE1 TRP 57 22.674 7.977 -4.206 460 HE3 TRP 57 HE3 TRP 57 24.156 9.857 0.574 461 HZ2 TRP 57 HZ2 TRP 57 24.645 9.989 -4.387 462 HZ3 TRP 57 HZ3 TRP 57 25.736 11.400 -0.511 463 HH2 TRP 57 HH2 TRP 57 25.974 11.463 -2.940 464 H MET 58 H MET 58 21.557 4.274 1.242 465 HA MET 58 HA MET 58 22.541 3.164 -1.305 466 HB2 MET 58 HB2 MET 58 23.645 1.919 0.366 467 HB3 MET 58 HB3 MET 58 22.210 1.848 1.380 468 HG2 MET 58 HG2 MET 58 21.842 0.622 -1.238 469 HG3 MET 58 HG3 MET 58 23.105 -0.137 -0.271 470 HE1 MET 58 HE1 MET 58 22.832 -1.390 1.801 471 HE2 MET 58 HE2 MET 58 22.146 -0.074 2.754 472 HE3 MET 58 HE3 MET 58 21.343 -1.645 2.711 473 H GLU 59 H GLU 59 20.949 2.931 -2.720 474 HA GLU 59 HA GLU 59 18.242 2.355 -1.710 475 HB2 GLU 59 HB2 GLU 59 18.905 3.582 -4.384 476 HB3 GLU 59 HB3 GLU 59 17.336 3.500 -3.596 477 HG2 GLU 59 HG2 GLU 59 19.679 5.065 -2.544 478 HG3 GLU 59 HG3 GLU 59 18.392 5.742 -3.540 479 H LEU 60 H LEU 60 17.611 0.336 -2.036 480 HA LEU 60 HA LEU 60 18.474 -1.032 -4.496 481 HB2 LEU 60 HB2 LEU 60 18.267 -3.151 -3.036 482 HB3 LEU 60 HB3 LEU 60 19.717 -2.156 -2.914 483 HG LEU 60 HG LEU 60 18.767 -1.124 -0.860 484 HD11 LEU 60 HD11 LEU 60 16.475 -1.364 -0.951 485 HD12 LEU 60 HD12 LEU 60 16.927 -2.623 0.197 486 HD13 LEU 60 HD13 LEU 60 16.564 -3.045 -1.476 487 HD21 LEU 60 HD21 LEU 60 20.375 -2.908 -0.659 488 HD22 LEU 60 HD22 LEU 60 19.112 -4.120 -0.871 489 HD23 LEU 60 HD23 LEU 60 19.130 -3.108 0.574 490 H GLU 61 H GLU 61 17.025 -2.754 -5.212 491 HA GLU 61 HA GLU 61 14.255 -2.387 -4.286 492 HB2 GLU 61 HB2 GLU 61 14.967 -1.309 -6.569 493 HB3 GLU 61 HB3 GLU 61 14.844 -2.958 -7.165 494 HG2 GLU 61 HG2 GLU 61 12.525 -3.064 -6.437 495 HG3 GLU 61 HG3 GLU 61 12.642 -1.422 -5.805 496 H ALA 62 H ALA 62 13.499 -4.227 -3.498 497 HA ALA 62 HA ALA 62 14.712 -6.701 -3.604 498 HB1 ALA 62 HB1 ALA 62 11.758 -6.170 -3.307 499 HB2 ALA 62 HB2 ALA 62 12.613 -7.632 -2.812 500 HB3 ALA 62 HB3 ALA 62 12.949 -6.099 -2.008 501 H GLN 63 H GLN 63 14.632 -8.460 -4.920 502 HA GLN 63 HA GLN 63 13.320 -8.076 -7.519 503 HB2 GLN 63 HB2 GLN 63 15.829 -9.351 -6.642 504 HB3 GLN 63 HB3 GLN 63 14.939 -10.232 -7.878 505 HG2 GLN 63 HG2 GLN 63 15.243 -7.350 -8.362 506 HG3 GLN 63 HG3 GLN 63 16.736 -8.287 -8.384 507 HE21 GLN 63 HE21 GLN 63 13.407 -8.859 -9.478 508 HE22 GLN 63 HE22 GLN 63 13.834 -9.320 -11.087 509 H GLU 64 H GLU 64 12.987 -10.459 -8.546 510 HA GLU 64 HA GLU 64 10.682 -11.483 -7.453 511 HB2 GLU 64 HB2 GLU 64 12.095 -11.981 -9.711 512 HB3 GLU 64 HB3 GLU 64 12.394 -13.466 -8.819 513 HG2 GLU 64 HG2 GLU 64 10.090 -13.977 -8.709 514 HG3 GLU 64 HG3 GLU 64 9.636 -12.369 -9.270 515 H LYS 65 H LYS 65 13.891 -13.033 -7.245 516 HA LYS 65 HA LYS 65 13.145 -14.054 -4.595 517 HB2 LYS 65 HB2 LYS 65 13.917 -16.253 -5.080 518 HB3 LYS 65 HB3 LYS 65 12.815 -15.808 -6.376 519 HG2 LYS 65 HG2 LYS 65 15.801 -15.544 -6.597 520 HG3 LYS 65 HG3 LYS 65 14.913 -16.991 -7.082 521 HD2 LYS 65 HD2 LYS 65 13.481 -15.154 -8.395 522 HD3 LYS 65 HD3 LYS 65 15.033 -14.315 -8.347 523 HE2 LYS 65 HE2 LYS 65 14.749 -17.162 -9.274 524 HE3 LYS 65 HE3 LYS 65 14.595 -15.788 -10.367 525 HZ1 LYS 65 HZ1 LYS 65 16.787 -15.642 -10.493 526 HZ2 LYS 65 HZ2 LYS 65 16.928 -17.042 -9.554 527 HZ3 LYS 65 HZ3 LYS 65 16.937 -15.522 -8.812 528 H ARG 66 H ARG 66 15.114 -12.095 -6.133 529 HA ARG 66 HA ARG 66 17.459 -12.826 -4.504 530 HB2 ARG 66 HB2 ARG 66 17.272 -11.798 -7.308 531 HB3 ARG 66 HB3 ARG 66 18.672 -11.375 -6.331 532 HG2 ARG 66 HG2 ARG 66 19.383 -13.588 -6.172 533 HG3 ARG 66 HG3 ARG 66 17.806 -14.223 -6.645 534 HD2 ARG 66 HD2 ARG 66 19.701 -12.693 -8.425 535 HD3 ARG 66 HD3 ARG 66 19.449 -14.438 -8.448 536 HE ARG 66 HE ARG 66 16.964 -13.461 -8.849 537 HH11 ARG 66 HH11 ARG 66 20.036 -12.849 -10.367 538 HH12 ARG 66 HH12 ARG 66 19.346 -12.482 -11.914 539 HH21 ARG 66 HH21 ARG 66 16.044 -12.980 -10.880 540 HH22 ARG 66 HH22 ARG 66 17.075 -12.556 -12.204 541 H PHE 67 H PHE 67 18.945 -10.738 -4.352 542 HA PHE 67 HA PHE 67 17.360 -8.327 -3.940 543 HB2 PHE 67 HB2 PHE 67 17.905 -10.054 -1.806 544 HB3 PHE 67 HB3 PHE 67 19.074 -8.748 -1.642 545 HD1 PHE 67 HD2 PHE 67 18.322 -6.443 -1.303 546 HD2 PHE 67 HD1 PHE 67 15.571 -9.687 -1.461 547 HE1 PHE 67 HE2 PHE 67 16.589 -5.019 -0.292 548 HE2 PHE 67 HE1 PHE 67 13.834 -8.268 -0.450 549 HZ PHE 67 HZ PHE 67 14.342 -5.931 0.137 550 H THR 68 H THR 68 18.468 -6.540 -4.445 551 HA THR 68 HA THR 68 21.363 -6.817 -4.903 552 HB THR 68 HB THR 68 20.077 -6.275 -6.921 553 HG1 THR 68 HG1 THR 68 22.202 -5.388 -6.643 554 HG21 THR 68 HG21 THR 68 19.001 -4.045 -7.104 555 HG22 THR 68 HG22 THR 68 19.249 -3.818 -5.373 556 HG23 THR 68 HG23 THR 68 18.196 -5.108 -5.951 557 H TYR 69 H TYR 69 22.644 -4.801 -4.601 558 HA TYR 69 HA TYR 69 21.605 -2.816 -2.786 559 HB2 TYR 69 HB2 TYR 69 22.966 -3.289 -0.907 560 HB3 TYR 69 HB3 TYR 69 22.233 -4.826 -1.353 561 HD1 TYR 69 HD1 TYR 69 23.755 -6.109 -3.240 562 HD2 TYR 69 HD2 TYR 69 25.168 -3.415 -0.266 563 HE1 TYR 69 HE1 TYR 69 25.985 -7.137 -3.377 564 HE2 TYR 69 HE2 TYR 69 27.403 -4.434 -0.396 565 HH TYR 69 HH TYR 69 28.147 -7.124 -1.321 566 H ARG 70 H ARG 70 22.832 -0.960 -2.741 567 HA ARG 70 HA ARG 70 25.472 -0.949 -3.959 568 HB2 ARG 70 HB2 ARG 70 23.073 0.419 -5.151 569 HB3 ARG 70 HB3 ARG 70 24.700 1.026 -5.428 570 HG2 ARG 70 HG2 ARG 70 25.337 -1.113 -6.413 571 HG3 ARG 70 HG3 ARG 70 23.709 -1.730 -6.126 572 HD2 ARG 70 HD2 ARG 70 22.893 0.237 -7.520 573 HD3 ARG 70 HD3 ARG 70 24.576 0.455 -7.998 574 HE ARG 70 HE ARG 70 23.890 -2.213 -8.445 575 HH11 ARG 70 HH11 ARG 70 23.068 0.954 -9.634 576 HH12 ARG 70 HH12 ARG 70 22.670 0.397 -11.225 577 HH21 ARG 70 HH21 ARG 70 23.368 -2.960 -10.536 578 HH22 ARG 70 HH22 ARG 70 22.839 -1.830 -11.737 579 H TYR 71 H TYR 71 26.761 0.408 -2.899 580 HA TYR 71 HA TYR 71 25.510 2.471 -1.210 581 HB2 TYR 71 HB2 TYR 71 27.730 2.319 0.065 582 HB3 TYR 71 HB3 TYR 71 26.613 0.969 0.229 583 HD1 TYR 71 HD2 TYR 71 29.628 2.080 -1.647 584 HD2 TYR 71 HD1 TYR 71 27.317 -1.208 -0.249 585 HE1 TYR 71 HE2 TYR 71 31.399 0.535 -2.370 586 HE2 TYR 71 HE1 TYR 71 29.082 -2.762 -0.968 587 HH TYR 71 HH TYR 71 30.959 -2.752 -2.680 588 H GLN 72 H GLN 72 26.209 4.556 -1.309 589 HA GLN 72 HA GLN 72 28.456 5.180 -3.090 590 HB2 GLN 72 HB2 GLN 72 25.670 6.320 -3.231 591 HB3 GLN 72 HB3 GLN 72 27.058 7.144 -3.928 592 HG2 GLN 72 HG2 GLN 72 27.454 4.874 -5.136 593 HG3 GLN 72 HG3 GLN 72 25.753 4.598 -4.762 594 HE21 GLN 72 HE21 GLN 72 28.023 6.474 -6.591 595 HE22 GLN 72 HE22 GLN 72 26.874 7.220 -7.644 596 H PHE 73 H PHE 73 29.612 7.024 -2.575 597 HA PHE 73 HA PHE 73 29.189 8.005 0.136 598 HB2 PHE 73 HB2 PHE 73 31.483 7.818 -1.719 599 HB3 PHE 73 HB3 PHE 73 31.463 9.238 -0.678 600 HD1 PHE 73 HD2 PHE 73 30.408 5.720 -0.058 601 HD2 PHE 73 HD1 PHE 73 33.032 8.907 0.975 602 HE1 PHE 73 HE2 PHE 73 31.314 4.370 1.789 603 HE2 PHE 73 HE1 PHE 73 33.944 7.563 2.823 604 HZ PHE 73 HZ PHE 73 33.085 5.291 3.231 605 H GLY 74 H GLY 74 29.308 10.287 0.632 606 HA2 GLY 74 HA2 GLY 74 29.396 12.454 -0.966 607 HA3 GLY 74 HA3 GLY 74 27.774 11.848 -1.265 608 H LEU 75 H LEU 75 26.474 13.268 -0.274 609 HA LEU 75 HA LEU 75 26.711 13.516 2.623 610 HB2 LEU 75 HB2 LEU 75 27.835 15.477 2.036 611 HB3 LEU 75 HB3 LEU 75 26.761 15.792 0.675 612 HG LEU 75 HG LEU 75 24.968 16.392 2.237 613 HD11 LEU 75 HD11 LEU 75 25.031 15.926 4.407 614 HD12 LEU 75 HD12 LEU 75 26.607 16.696 4.593 615 HD13 LEU 75 HD13 LEU 75 26.504 15.007 4.097 616 HD21 LEU 75 HD21 LEU 75 27.558 17.802 2.111 617 HD22 LEU 75 HD22 LEU 75 26.431 18.349 3.353 618 HD23 LEU 75 HD23 LEU 75 25.943 18.346 1.658 619 H PHE 76 H PHE 76 24.770 13.795 3.677 620 HA PHE 76 HA PHE 76 22.385 13.500 1.990 621 HB2 PHE 76 HB2 PHE 76 22.631 11.676 3.526 622 HB3 PHE 76 HB3 PHE 76 22.911 12.773 4.874 623 HD1 PHE 76 HD1 PHE 76 20.296 12.745 2.220 624 HD2 PHE 76 HD2 PHE 76 21.188 12.493 6.374 625 HE1 PHE 76 HE1 PHE 76 17.890 12.722 2.732 626 HE2 PHE 76 HE2 PHE 76 18.784 12.468 6.893 627 HZ PHE 76 HZ PHE 76 17.131 12.582 5.071 628 H ASP 77 H ASP 77 21.807 15.577 1.523 629 HA ASP 77 HA ASP 77 21.790 17.659 3.488 630 HB2 ASP 77 HB2 ASP 77 22.020 17.865 0.914 631 HB3 ASP 77 HB3 ASP 77 20.261 17.764 0.901 632 H LYS 78 H LYS 78 19.709 18.971 3.789 633 HA LYS 78 HA LYS 78 17.749 17.204 4.949 634 HB2 LYS 78 HB2 LYS 78 16.703 19.271 5.776 635 HB3 LYS 78 HB3 LYS 78 18.421 19.217 6.149 636 HG2 LYS 78 HG2 LYS 78 18.562 20.550 3.855 637 HG3 LYS 78 HG3 LYS 78 16.925 21.009 4.329 638 HD2 LYS 78 HD2 LYS 78 18.386 22.663 5.209 639 HD3 LYS 78 HD3 LYS 78 17.874 21.661 6.569 640 HE2 LYS 78 HE2 LYS 78 20.104 21.704 6.998 641 HE3 LYS 78 HE3 LYS 78 20.075 20.326 5.899 642 HZ1 LYS 78 HZ1 LYS 78 20.472 23.053 4.854 643 HZ2 LYS 78 HZ2 LYS 78 20.936 21.575 4.175 644 HZ3 LYS 78 HZ3 LYS 78 21.775 22.194 5.507 645 H GLU 79 H GLU 79 18.130 18.922 2.005 646 HA GLU 79 HA GLU 79 15.333 19.114 1.374 647 HB2 GLU 79 HB2 GLU 79 17.744 19.355 -0.435 648 HB3 GLU 79 HB3 GLU 79 16.098 19.818 -0.846 649 HG2 GLU 79 HG2 GLU 79 17.308 21.043 1.565 650 HG3 GLU 79 HG3 GLU 79 17.900 21.566 -0.010 651 H GLY 80 H GLY 80 17.530 16.589 1.440 652 HA2 GLY 80 HA2 GLY 80 17.313 14.386 0.804 653 HA3 GLY 80 HA3 GLY 80 15.687 14.766 0.256 654 H ASN 81 H ASN 81 18.225 16.685 -1.030 655 HA ASN 81 HA ASN 81 17.877 15.355 -3.620 656 HB2 ASN 81 HB2 ASN 81 18.502 18.134 -2.765 657 HB3 ASN 81 HB3 ASN 81 19.214 17.582 -4.278 658 HD21 ASN 81 HD21 ASN 81 16.526 18.925 -2.837 659 HD22 ASN 81 HD22 ASN 81 15.399 18.717 -4.130 660 H TRP 82 H TRP 82 19.545 14.466 -4.730 661 HA TRP 82 HA TRP 82 21.770 13.485 -3.425 662 HB2 TRP 82 HB2 TRP 82 21.607 14.082 -6.386 663 HB3 TRP 82 HB3 TRP 82 22.643 12.892 -5.604 664 HD1 TRP 82 HD1 TRP 82 20.307 11.669 -3.694 665 HE1 TRP 82 HE1 TRP 82 18.557 10.119 -4.769 666 HE3 TRP 82 HE3 TRP 82 20.844 13.101 -8.572 667 HZ2 TRP 82 HZ2 TRP 82 17.539 9.574 -7.345 668 HZ3 TRP 82 HZ3 TRP 82 19.444 12.016 -10.280 669 HH2 TRP 82 HH2 TRP 82 17.827 10.289 -9.678 670 H THR 83 H THR 83 23.545 14.409 -2.663 671 HA THR 83 HA THR 83 24.706 16.695 -4.079 672 HB THR 83 HB THR 83 24.613 16.812 -1.090 673 HG1 THR 83 HG1 THR 83 22.516 17.052 -1.167 674 HG21 THR 83 HG21 THR 83 25.990 18.475 -1.920 675 HG22 THR 83 HG22 THR 83 24.445 19.319 -1.811 676 HG23 THR 83 HG23 THR 83 25.010 18.710 -3.366 677 H VAL 84 H VAL 84 26.637 15.918 -4.645 678 HA VAL 84 HA VAL 84 28.115 14.211 -2.781 679 HB VAL 84 HB VAL 84 29.669 13.865 -4.714 680 HG11 VAL 84 HG11 VAL 84 26.969 13.147 -5.713 681 HG12 VAL 84 HG12 VAL 84 28.411 12.148 -5.523 682 HG13 VAL 84 HG13 VAL 84 27.433 12.565 -4.115 683 HG21 VAL 84 HG21 VAL 84 29.556 15.161 -6.513 684 HG22 VAL 84 HG22 VAL 84 27.889 14.660 -6.797 685 HG23 VAL 84 HG23 VAL 84 28.228 16.055 -5.773 686 H VAL 85 H VAL 85 29.604 15.071 -1.506 687 HA VAL 85 HA VAL 85 31.062 17.455 -2.437 688 HB VAL 85 HB VAL 85 31.197 17.943 0.143 689 HG11 VAL 85 HG11 VAL 85 29.270 19.428 -0.062 690 HG12 VAL 85 HG12 VAL 85 30.238 19.438 -1.538 691 HG13 VAL 85 HG13 VAL 85 28.724 18.534 -1.480 692 HG21 VAL 85 HG21 VAL 85 28.428 16.891 0.198 693 HG22 VAL 85 HG22 VAL 85 29.739 15.724 0.379 694 HG23 VAL 85 HG23 VAL 85 29.598 17.074 1.505 695 HA PRO 86 HA PRO 86 34.794 15.373 -1.439 696 HB2 PRO 86 HB2 PRO 86 36.344 17.408 -0.528 697 HB3 PRO 86 HB3 PRO 86 35.911 17.218 -2.231 698 HG2 PRO 86 HG2 PRO 86 34.700 19.005 -0.157 699 HG3 PRO 86 HG3 PRO 86 35.106 19.365 -1.845 700 HD2 PRO 86 HD2 PRO 86 32.582 18.801 -1.042 701 HD3 PRO 86 HD3 PRO 86 33.193 18.363 -2.650 702 H ILE 87 H ILE 87 35.766 14.316 0.228 703 HA ILE 87 HA ILE 87 34.736 14.872 2.910 704 HB ILE 87 HB ILE 87 36.260 12.469 1.895 705 HG12 ILE 87 HG12 ILE 87 33.997 12.713 0.917 706 HG13 ILE 87 HG13 ILE 87 34.123 11.306 1.968 707 HG21 ILE 87 HG21 ILE 87 35.160 13.217 4.567 708 HG22 ILE 87 HG22 ILE 87 35.212 11.522 4.086 709 HG23 ILE 87 HG23 ILE 87 36.701 12.465 4.157 710 HD11 ILE 87 HD11 ILE 87 32.027 12.416 2.340 711 HD12 ILE 87 HD12 ILE 87 33.047 12.601 3.767 712 HD13 ILE 87 HD13 ILE 87 32.850 13.946 2.643 713 H ASN 88 H ASN 88 35.931 16.093 4.201 714 HA ASN 88 HA ASN 88 38.817 16.263 3.779 715 HB2 ASN 88 HB2 ASN 88 36.821 17.942 5.275 716 HB3 ASN 88 HB3 ASN 88 38.546 18.104 5.589 717 HD21 ASN 88 HD21 ASN 88 39.749 19.297 4.254 718 HD22 ASN 88 HD22 ASN 88 39.183 20.014 2.787 719 H GLU 89 H GLU 89 40.297 16.111 5.567 720 HA GLU 89 HA GLU 89 41.200 15.099 7.394 721 HB2 GLU 89 HB2 GLU 89 38.663 16.066 8.243 722 HB3 GLU 89 HB3 GLU 89 38.897 14.480 8.964 723 HG2 GLU 89 HG2 GLU 89 39.792 15.909 10.540 724 HG3 GLU 89 HG3 GLU 89 41.212 15.365 9.647 725 H THR 90 H THR 90 41.931 13.184 6.650 726 HA THR 90 HA THR 90 40.471 11.043 5.691 727 HB THR 90 HB THR 90 42.901 11.189 5.441 728 HG1 THR 90 HG1 THR 90 43.152 9.036 5.491 729 HG21 THR 90 HG21 THR 90 42.952 11.752 8.120 730 HG22 THR 90 HG22 THR 90 44.360 11.327 7.146 731 HG23 THR 90 HG23 THR 90 43.527 10.086 8.080 732 H GLU 91 H GLU 91 41.056 12.010 8.980 733 HA GLU 91 HA GLU 91 40.596 9.653 10.361 734 HB2 GLU 91 HB2 GLU 91 39.660 11.184 12.172 735 HB3 GLU 91 HB3 GLU 91 41.297 11.515 11.623 736 HG2 GLU 91 HG2 GLU 91 40.587 13.380 10.346 737 HG3 GLU 91 HG3 GLU 91 38.888 12.959 10.558 738 H VAL 92 H VAL 92 38.310 11.846 8.848 739 HA VAL 92 HA VAL 92 35.993 10.549 9.956 740 HB VAL 92 HB VAL 92 36.192 12.505 7.662 741 HG11 VAL 92 HG11 VAL 92 34.110 11.598 7.350 742 HG12 VAL 92 HG12 VAL 92 33.900 11.215 9.060 743 HG13 VAL 92 HG13 VAL 92 33.731 12.880 8.500 744 HG21 VAL 92 HG21 VAL 92 36.220 12.818 10.579 745 HG22 VAL 92 HG22 VAL 92 36.784 13.910 9.315 746 HG23 VAL 92 HG23 VAL 92 35.073 13.858 9.736 747 H VAL 93 H VAL 93 37.588 10.630 6.784 748 HA VAL 93 HA VAL 93 35.832 9.077 5.326 749 HB VAL 93 HB VAL 93 38.283 10.173 4.823 750 HG11 VAL 93 HG11 VAL 93 38.636 7.188 4.578 751 HG12 VAL 93 HG12 VAL 93 39.801 8.438 4.134 752 HG13 VAL 93 HG13 VAL 93 39.379 8.185 5.828 753 HG21 VAL 93 HG21 VAL 93 37.780 9.772 2.631 754 HG22 VAL 93 HG22 VAL 93 37.298 8.102 2.929 755 HG23 VAL 93 HG23 VAL 93 36.211 9.424 3.358 756 H GLU 94 H GLU 94 38.222 8.088 7.690 757 HA GLU 94 HA GLU 94 38.157 5.312 7.083 758 HB2 GLU 94 HB2 GLU 94 39.020 6.837 9.539 759 HB3 GLU 94 HB3 GLU 94 39.152 5.089 9.404 760 HG2 GLU 94 HG2 GLU 94 40.502 5.518 7.291 761 HG3 GLU 94 HG3 GLU 94 40.588 7.195 7.827 762 H ARG 95 H ARG 95 36.259 7.408 9.144 763 HA ARG 95 HA ARG 95 34.952 5.297 10.564 764 HB2 ARG 95 HB2 ARG 95 35.098 7.459 11.604 765 HB3 ARG 95 HB3 ARG 95 34.306 8.228 10.236 766 HG2 ARG 95 HG2 ARG 95 32.757 8.048 12.061 767 HG3 ARG 95 HG3 ARG 95 32.251 6.969 10.759 768 HD2 ARG 95 HD2 ARG 95 32.002 5.677 12.685 769 HD3 ARG 95 HD3 ARG 95 33.551 5.156 12.024 770 HE ARG 95 HE ARG 95 33.935 7.251 13.880 771 HH11 ARG 95 HH11 ARG 95 33.130 3.869 13.705 772 HH12 ARG 95 HH12 ARG 95 33.770 3.501 15.272 773 HH21 ARG 95 HH21 ARG 95 34.782 6.780 15.945 774 HH22 ARG 95 HH22 ARG 95 34.709 5.158 16.546 775 H LEU 96 H LEU 96 34.281 7.160 7.665 776 HA LEU 96 HA LEU 96 31.594 6.277 7.347 777 HB2 LEU 96 HB2 LEU 96 33.600 7.672 5.648 778 HB3 LEU 96 HB3 LEU 96 32.186 6.964 4.869 779 HG LEU 96 HG LEU 96 31.834 9.323 5.295 780 HD11 LEU 96 HD11 LEU 96 29.684 9.097 5.967 781 HD12 LEU 96 HD12 LEU 96 30.106 8.116 7.370 782 HD13 LEU 96 HD13 LEU 96 30.061 7.386 5.766 783 HD21 LEU 96 HD21 LEU 96 31.716 10.172 7.603 784 HD22 LEU 96 HD22 LEU 96 33.338 9.634 7.167 785 HD23 LEU 96 HD23 LEU 96 32.317 8.621 8.189 786 H GLU 97 H GLU 97 34.693 5.239 5.963 787 HA GLU 97 HA GLU 97 33.651 3.249 4.269 788 HB2 GLU 97 HB2 GLU 97 35.942 2.355 4.224 789 HB3 GLU 97 HB3 GLU 97 35.917 4.099 4.006 790 HG2 GLU 97 HG2 GLU 97 36.519 4.390 6.365 791 HG3 GLU 97 HG3 GLU 97 36.581 2.639 6.553 792 H TYR 98 H TYR 98 34.678 3.184 7.640 793 HA TYR 98 HA TYR 98 34.537 0.384 7.989 794 HB2 TYR 98 HB2 TYR 98 35.736 1.847 9.550 795 HB3 TYR 98 HB3 TYR 98 34.216 2.592 10.032 796 HD1 TYR 98 HD2 TYR 98 32.471 1.127 11.163 797 HD2 TYR 98 HD1 TYR 98 36.506 -0.103 10.607 798 HE1 TYR 98 HE2 TYR 98 32.188 -0.575 12.916 799 HE2 TYR 98 HE1 TYR 98 36.234 -1.809 12.358 800 HH TYR 98 HH TYR 98 33.570 -3.005 13.361 801 H THR 99 H THR 99 32.204 2.978 8.656 802 HA THR 99 HA THR 99 30.171 1.388 9.733 803 HB THR 99 HB THR 99 28.642 3.266 8.793 804 HG1 THR 99 HG1 THR 99 29.786 4.340 7.321 805 HG21 THR 99 HG21 THR 99 30.429 4.737 10.481 806 HG22 THR 99 HG22 THR 99 30.326 3.070 11.049 807 HG23 THR 99 HG23 THR 99 28.860 4.034 10.872 808 H LEU 100 H LEU 100 31.214 1.832 6.464 809 HA LEU 100 HA LEU 100 28.802 0.927 5.219 810 HB2 LEU 100 HB2 LEU 100 30.153 2.266 3.868 811 HB3 LEU 100 HB3 LEU 100 31.614 1.376 4.291 812 HG LEU 100 HG LEU 100 29.518 -0.100 2.800 813 HD11 LEU 100 HD11 LEU 100 30.844 2.332 1.800 814 HD12 LEU 100 HD12 LEU 100 29.347 1.556 1.284 815 HD13 LEU 100 HD13 LEU 100 30.900 0.929 0.732 816 HD21 LEU 100 HD21 LEU 100 31.707 -0.801 1.609 817 HD22 LEU 100 HD22 LEU 100 31.394 -1.384 3.244 818 HD23 LEU 100 HD23 LEU 100 32.504 -0.037 2.984 819 H ARG 101 H ARG 101 31.864 -0.574 6.146 820 HA ARG 101 HA ARG 101 31.277 -3.111 4.996 821 HB2 ARG 101 HB2 ARG 101 33.550 -2.024 5.833 822 HB3 ARG 101 HB3 ARG 101 33.133 -2.871 7.317 823 HG2 ARG 101 HG2 ARG 101 32.814 -4.915 5.736 824 HG3 ARG 101 HG3 ARG 101 33.824 -3.976 4.636 825 HD2 ARG 101 HD2 ARG 101 35.211 -5.461 5.939 826 HD3 ARG 101 HD3 ARG 101 35.530 -3.791 6.407 827 HE ARG 101 HE ARG 101 33.561 -4.998 8.074 828 HH11 ARG 101 HH11 ARG 101 36.987 -4.804 7.489 829 HH12 ARG 101 HH12 ARG 101 37.420 -5.183 9.124 830 HH21 ARG 101 HH21 ARG 101 34.118 -5.498 10.229 831 HH22 ARG 101 HH22 ARG 101 35.787 -5.579 10.681 832 H GLU 102 H GLU 102 31.166 -1.878 8.334 833 HA GLU 102 HA GLU 102 30.245 -4.226 9.544 834 HB2 GLU 102 HB2 GLU 102 29.642 -2.857 11.426 835 HB3 GLU 102 HB3 GLU 102 31.139 -2.233 10.747 836 HG2 GLU 102 HG2 GLU 102 30.132 -0.250 10.870 837 HG3 GLU 102 HG3 GLU 102 29.288 -0.762 9.409 838 H PHE 103 H PHE 103 28.544 -1.674 7.852 839 HA PHE 103 HA PHE 103 25.927 -2.480 8.656 840 HB2 PHE 103 HB2 PHE 103 26.546 -0.188 7.822 841 HB3 PHE 103 HB3 PHE 103 26.683 -0.877 6.208 842 HD1 PHE 103 HD2 PHE 103 24.595 -2.104 5.301 843 HD2 PHE 103 HD1 PHE 103 24.519 0.637 8.557 844 HE1 PHE 103 HE2 PHE 103 22.185 -1.760 4.950 845 HE2 PHE 103 HE1 PHE 103 22.107 0.984 8.212 846 HZ PHE 103 HZ PHE 103 20.937 -0.214 6.406 847 H HIS 104 H HIS 104 28.057 -3.269 5.985 848 HA HIS 104 HA HIS 104 26.121 -4.604 4.394 849 HB2 HIS 104 HB2 HIS 104 27.941 -4.103 3.104 850 HB3 HIS 104 HB3 HIS 104 29.081 -4.367 4.420 851 HD1 HIS 104 HD1 HIS 104 26.656 -6.747 2.697 852 HD2 HIS 104 HD2 HIS 104 30.690 -6.378 3.617 853 HE1 HIS 104 HE1 HIS 104 27.727 -8.874 1.889 854 H GLU 105 H GLU 105 28.424 -5.686 6.850 855 HA GLU 105 HA GLU 105 28.036 -8.445 6.559 856 HB2 GLU 105 HB2 GLU 105 29.245 -6.654 8.521 857 HB3 GLU 105 HB3 GLU 105 28.535 -8.084 9.258 858 HG2 GLU 105 HG2 GLU 105 29.849 -9.502 7.753 859 HG3 GLU 105 HG3 GLU 105 30.578 -8.060 7.047 860 H LYS 106 H LYS 106 26.431 -6.112 8.704 861 HA LYS 106 HA LYS 106 24.709 -7.987 9.933 862 HB2 LYS 106 HB2 LYS 106 23.869 -6.212 11.087 863 HB3 LYS 106 HB3 LYS 106 25.337 -5.450 10.489 864 HG2 LYS 106 HG2 LYS 106 23.897 -4.698 8.503 865 HG3 LYS 106 HG3 LYS 106 22.522 -5.119 9.526 866 HD2 LYS 106 HD2 LYS 106 24.725 -3.205 10.293 867 HD3 LYS 106 HD3 LYS 106 23.143 -2.728 9.673 868 HE2 LYS 106 HE2 LYS 106 22.039 -3.623 11.581 869 HE3 LYS 106 HE3 LYS 106 23.511 -4.418 12.138 870 HZ1 LYS 106 HZ1 LYS 106 23.035 -2.395 13.387 871 HZ2 LYS 106 HZ2 LYS 106 23.110 -1.480 11.966 872 HZ3 LYS 106 HZ3 LYS 106 24.495 -2.261 12.542 873 H LEU 107 H LEU 107 24.500 -6.122 6.984 874 HA LEU 107 HA LEU 107 21.740 -6.408 6.504 875 HB2 LEU 107 HB2 LEU 107 23.716 -5.046 5.307 876 HB3 LEU 107 HB3 LEU 107 23.580 -6.402 4.189 877 HG LEU 107 HG LEU 107 22.279 -4.494 3.422 878 HD11 LEU 107 HD11 LEU 107 21.460 -7.079 3.503 879 HD12 LEU 107 HD12 LEU 107 20.626 -5.790 2.636 880 HD13 LEU 107 HD13 LEU 107 20.087 -6.259 4.247 881 HD21 LEU 107 HD21 LEU 107 20.902 -3.277 4.705 882 HD22 LEU 107 HD22 LEU 107 21.766 -4.015 6.054 883 HD23 LEU 107 HD23 LEU 107 20.233 -4.697 5.509 884 H ARG 108 H ARG 108 24.493 -8.482 5.816 885 HA ARG 108 HA ARG 108 23.255 -10.285 4.070 886 HB2 ARG 108 HB2 ARG 108 25.751 -10.047 4.838 887 HB3 ARG 108 HB3 ARG 108 25.283 -11.213 6.068 888 HG2 ARG 108 HG2 ARG 108 24.644 -12.808 4.374 889 HG3 ARG 108 HG3 ARG 108 24.974 -11.629 3.103 890 HD2 ARG 108 HD2 ARG 108 27.270 -11.750 3.411 891 HD3 ARG 108 HD3 ARG 108 27.115 -12.385 5.048 892 HE ARG 108 HE ARG 108 26.040 -14.228 3.207 893 HH11 ARG 108 HH11 ARG 108 29.087 -12.931 4.280 894 HH12 ARG 108 HH12 ARG 108 29.985 -14.357 3.878 895 HH21 ARG 108 HH21 ARG 108 27.211 -16.112 2.673 896 HH22 ARG 108 HH22 ARG 108 28.916 -16.165 2.963 897 H ASP 109 H ASP 109 23.424 -10.226 7.603 898 HA ASP 109 HA ASP 109 22.284 -12.703 8.146 899 HB2 ASP 109 HB2 ASP 109 23.313 -11.252 9.857 900 HB3 ASP 109 HB3 ASP 109 21.952 -10.142 9.722 901 H LEU 110 H LEU 110 20.702 -9.563 7.652 902 HA LEU 110 HA LEU 110 18.074 -10.378 8.127 903 HB2 LEU 110 HB2 LEU 110 18.634 -8.053 7.989 904 HB3 LEU 110 HB3 LEU 110 19.173 -8.234 6.321 905 HG LEU 110 HG LEU 110 16.806 -8.759 5.700 906 HD11 LEU 110 HD11 LEU 110 16.432 -9.085 8.388 907 HD12 LEU 110 HD12 LEU 110 15.150 -8.888 7.194 908 HD13 LEU 110 HD13 LEU 110 15.733 -7.492 8.100 909 HD21 LEU 110 HD21 LEU 110 17.990 -6.443 5.695 910 HD22 LEU 110 HD22 LEU 110 16.885 -6.079 7.021 911 HD23 LEU 110 HD23 LEU 110 16.247 -6.535 5.440 912 H LEU 111 H LEU 111 19.856 -10.186 5.052 913 HA LEU 111 HA LEU 111 17.773 -11.178 3.437 914 HB2 LEU 111 HB2 LEU 111 20.715 -10.852 3.146 915 HB3 LEU 111 HB3 LEU 111 19.870 -11.871 1.983 916 HG LEU 111 HG LEU 111 18.559 -10.036 1.212 917 HD11 LEU 111 HD11 LEU 111 17.939 -8.768 3.025 918 HD12 LEU 111 HD12 LEU 111 19.138 -7.720 2.268 919 HD13 LEU 111 HD13 LEU 111 19.578 -8.691 3.672 920 HD21 LEU 111 HD21 LEU 111 20.710 -8.312 1.054 921 HD22 LEU 111 HD22 LEU 111 20.345 -9.631 -0.059 922 HD23 LEU 111 HD23 LEU 111 21.459 -9.892 1.285 923 H ILE 112 H ILE 112 20.344 -12.768 5.237 924 HA ILE 112 HA ILE 112 20.075 -15.342 4.150 925 HB ILE 112 HB ILE 112 21.025 -14.418 6.855 926 HG12 ILE 112 HG12 ILE 112 22.707 -15.741 4.764 927 HG13 ILE 112 HG13 ILE 112 22.261 -14.051 4.554 928 HG21 ILE 112 HG21 ILE 112 20.428 -17.123 5.907 929 HG22 ILE 112 HG22 ILE 112 22.047 -16.926 6.575 930 HG23 ILE 112 HG23 ILE 112 20.635 -16.515 7.549 931 HD11 ILE 112 HD11 ILE 112 23.330 -13.462 6.619 932 HD12 ILE 112 HD12 ILE 112 23.659 -15.158 6.975 933 HD13 ILE 112 HD13 ILE 112 24.461 -14.371 5.617 934 H SER 113 H SER 113 18.359 -13.706 6.752 935 HA SER 113 HA SER 113 16.940 -16.025 7.629 936 HB2 SER 113 HB2 SER 113 16.998 -14.455 9.314 937 HB3 SER 113 HB3 SER 113 16.822 -13.098 8.201 938 HG SER 113 HG SER 113 14.809 -14.897 9.067 939 H MET 114 H MET 114 16.516 -13.724 5.100 940 HA MET 114 HA MET 114 13.722 -14.486 4.698 941 HB2 MET 114 HB2 MET 114 15.477 -12.350 3.508 942 HB3 MET 114 HB3 MET 114 13.920 -12.762 2.802 943 HG2 MET 114 HG2 MET 114 13.023 -12.374 5.206 944 HG3 MET 114 HG3 MET 114 14.528 -11.485 5.426 945 HE1 MET 114 HE1 MET 114 15.180 -9.540 4.601 946 HE2 MET 114 HE2 MET 114 14.313 -8.380 3.594 947 HE3 MET 114 HE3 MET 114 13.846 -8.607 5.280 948 H GLU 115 H GLU 115 16.712 -15.594 3.829 949 HA GLU 115 HA GLU 115 17.446 -17.102 2.291 950 HB2 GLU 115 HB2 GLU 115 14.586 -17.424 1.398 951 HB3 GLU 115 HB3 GLU 115 15.891 -18.598 1.298 952 HG2 GLU 115 HG2 GLU 115 15.899 -18.844 3.704 953 HG3 GLU 115 HG3 GLU 115 14.659 -17.600 3.856 954 H LEU 116 H LEU 116 17.568 -14.429 1.586 955 HA LEU 116 HA LEU 116 16.875 -14.433 -1.275 956 HB2 LEU 116 HB2 LEU 116 16.991 -12.332 0.796 957 HB3 LEU 116 HB3 LEU 116 17.575 -11.878 -0.804 958 HG LEU 116 HG LEU 116 15.183 -11.306 -0.342 959 HD11 LEU 116 HD11 LEU 116 15.060 -11.291 -2.553 960 HD12 LEU 116 HD12 LEU 116 14.692 -13.015 -2.548 961 HD13 LEU 116 HD13 LEU 116 16.367 -12.471 -2.646 962 HD21 LEU 116 HD21 LEU 116 13.523 -12.998 -0.265 963 HD22 LEU 116 HD22 LEU 116 14.741 -13.431 0.935 964 HD23 LEU 116 HD23 LEU 116 14.698 -14.264 -0.619 965 H ALA 117 H ALA 117 18.431 -14.171 -2.799 966 HA ALA 117 HA ALA 117 21.173 -14.536 -1.953 967 HB1 ALA 117 HB1 ALA 117 21.124 -15.764 -3.809 968 HB2 ALA 117 HB2 ALA 117 19.633 -15.001 -4.363 969 HB3 ALA 117 HB3 ALA 117 21.190 -14.246 -4.706 970 H LEU 118 H LEU 118 22.831 -13.101 -2.153 971 HA LEU 118 HA LEU 118 22.202 -10.440 -3.239 972 HB2 LEU 118 HB2 LEU 118 22.150 -10.550 -0.721 973 HB3 LEU 118 HB3 LEU 118 23.874 -10.915 -0.781 974 HG LEU 118 HG LEU 118 24.101 -8.695 -2.049 975 HD11 LEU 118 HD11 LEU 118 21.983 -7.360 -0.789 976 HD12 LEU 118 HD12 LEU 118 21.270 -8.754 -1.600 977 HD13 LEU 118 HD13 LEU 118 22.234 -7.597 -2.519 978 HD21 LEU 118 HD21 LEU 118 24.681 -7.684 -0.097 979 HD22 LEU 118 HD22 LEU 118 24.501 -9.336 0.496 980 HD23 LEU 118 HD23 LEU 118 23.198 -8.169 0.727 981 H GLU 119 H GLU 119 23.550 -9.898 -4.811 982 HA GLU 119 HA GLU 119 26.376 -10.566 -4.609 983 HB2 GLU 119 HB2 GLU 119 24.520 -11.646 -6.687 984 HB3 GLU 119 HB3 GLU 119 26.167 -11.241 -7.153 985 HG2 GLU 119 HG2 GLU 119 25.569 -13.026 -4.820 986 HG3 GLU 119 HG3 GLU 119 25.696 -13.641 -6.467 987 HA PRO 120 HA PRO 120 26.997 -6.649 -6.482 988 HB2 PRO 120 HB2 PRO 120 29.210 -7.073 -7.996 989 HB3 PRO 120 HB3 PRO 120 29.255 -6.995 -6.231 990 HG2 PRO 120 HG2 PRO 120 29.218 -9.395 -8.021 991 HG3 PRO 120 HG3 PRO 120 30.190 -9.097 -6.568 992 HD2 PRO 120 HD2 PRO 120 27.960 -10.632 -6.540 993 HD3 PRO 120 HD3 PRO 120 28.464 -9.655 -5.146 994 H SER 121 H SER 121 27.305 -5.519 -8.613 995 HA SER 121 HA SER 121 25.808 -6.947 -10.708 996 HB2 SER 121 HB2 SER 121 26.044 -3.950 -10.392 997 HB3 SER 121 HB3 SER 121 24.924 -4.837 -11.425 998 HG SER 121 HG SER 121 24.946 -5.118 -8.609 999 H ASP 122 H ASP 122 26.818 -7.386 -12.547 1000 HA ASP 122 HA ASP 122 29.520 -6.846 -12.995 1001 HB2 ASP 122 HB2 ASP 122 28.274 -8.691 -14.073 1002 HB3 ASP 122 HB3 ASP 122 27.409 -7.513 -15.057 1003 H ASP 123 H ASP 123 26.726 -4.927 -13.589 1004 HA ASP 123 HA ASP 123 28.172 -3.138 -15.394 1005 HB2 ASP 123 HB2 ASP 123 25.324 -2.824 -14.453 1006 HB3 ASP 123 HB3 ASP 123 26.080 -2.121 -15.880 1007 H PHE 124 H PHE 124 28.807 -3.438 -12.511 1008 HA PHE 124 HA PHE 124 28.030 -0.841 -11.425 1009 HB2 PHE 124 HB2 PHE 124 27.989 -3.003 -10.064 1010 HB3 PHE 124 HB3 PHE 124 29.747 -2.914 -10.067 1011 HD1 PHE 124 HD2 PHE 124 27.175 -0.249 -9.687 1012 HD2 PHE 124 HD1 PHE 124 30.396 -2.396 -7.917 1013 HE1 PHE 124 HE2 PHE 124 27.099 1.250 -7.737 1014 HE2 PHE 124 HE1 PHE 124 30.324 -0.901 -5.964 1015 HZ PHE 124 HZ PHE 124 28.675 0.926 -5.873 1016 H ASN 125 H ASN 125 29.227 0.811 -12.116 1017 HA ASN 125 HA ASN 125 32.154 0.478 -12.151 1018 HB2 ASN 125 HB2 ASN 125 31.014 0.756 -14.421 1019 HB3 ASN 125 HB3 ASN 125 30.650 2.404 -13.918 1020 HD21 ASN 125 HD21 ASN 125 31.961 2.721 -15.942 1021 HD22 ASN 125 HD22 ASN 125 33.668 2.900 -15.743 1022 H ASP 126 H ASP 126 32.994 1.538 -10.487 1023 HA ASP 126 HA ASP 126 32.698 4.321 -10.152 1024 HB2 ASP 126 HB2 ASP 126 31.515 4.435 -8.045 1025 HB3 ASP 126 HB3 ASP 126 30.500 3.610 -9.224 1026 H GLU 127 H GLU 127 33.651 4.982 -7.891 1027 HA GLU 127 HA GLU 127 35.951 3.209 -7.391 1028 HB2 GLU 127 HB2 GLU 127 35.815 6.209 -7.042 1029 HB3 GLU 127 HB3 GLU 127 37.234 5.197 -6.814 1030 HG2 GLU 127 HG2 GLU 127 37.061 4.562 -9.227 1031 HG3 GLU 127 HG3 GLU 127 35.803 5.785 -9.390 1032 HA PRO 128 HA PRO 128 33.470 3.399 -3.472 1033 HB2 PRO 128 HB2 PRO 128 33.669 0.743 -2.945 1034 HB3 PRO 128 HB3 PRO 128 32.401 1.427 -3.970 1035 HG2 PRO 128 HG2 PRO 128 34.959 0.088 -4.760 1036 HG3 PRO 128 HG3 PRO 128 33.337 -0.104 -5.449 1037 HD2 PRO 128 HD2 PRO 128 35.238 1.438 -6.606 1038 HD3 PRO 128 HD3 PRO 128 33.507 1.819 -6.708 1039 H VAL 129 H VAL 129 34.191 3.017 -1.307 1040 HA VAL 129 HA VAL 129 36.841 3.631 -0.793 1041 HB VAL 129 HB VAL 129 36.373 2.749 1.547 1042 HG11 VAL 129 HG11 VAL 129 35.150 4.650 2.121 1043 HG12 VAL 129 HG12 VAL 129 35.938 5.103 0.609 1044 HG13 VAL 129 HG13 VAL 129 34.237 4.635 0.613 1045 HG21 VAL 129 HG21 VAL 129 33.563 2.440 0.513 1046 HG22 VAL 129 HG22 VAL 129 34.667 1.080 0.721 1047 HG23 VAL 129 HG23 VAL 129 34.181 2.043 2.116 1048 H LYS 130 H LYS 130 38.543 2.393 0.187 1049 HA LYS 130 HA LYS 130 38.690 -0.311 -0.914 1050 HB2 LYS 130 HB2 LYS 130 41.128 -0.106 -0.318 1051 HB3 LYS 130 HB3 LYS 130 40.553 1.051 -1.510 1052 HG2 LYS 130 HG2 LYS 130 41.083 2.786 -0.225 1053 HG3 LYS 130 HG3 LYS 130 40.338 2.063 1.202 1054 HD2 LYS 130 HD2 LYS 130 42.337 0.692 1.548 1055 HD3 LYS 130 HD3 LYS 130 43.081 1.415 0.119 1056 HE2 LYS 130 HE2 LYS 130 43.077 3.588 1.166 1057 HE3 LYS 130 HE3 LYS 130 42.190 2.958 2.553 1058 HZ1 LYS 130 HZ1 LYS 130 44.852 1.921 1.777 1059 HZ2 LYS 130 HZ2 LYS 130 44.039 1.718 3.246 1060 HZ3 LYS 130 HZ3 LYS 130 44.667 3.233 2.830 1061 H LEU 131 H LEU 131 37.666 -1.658 0.488 1062 HA LEU 131 HA LEU 131 37.805 -1.451 3.308 1063 HB2 LEU 131 HB2 LEU 131 36.942 -3.603 1.411 1064 HB3 LEU 131 HB3 LEU 131 37.012 -3.905 3.146 1065 HG LEU 131 HG LEU 131 34.751 -3.378 2.505 1066 HD11 LEU 131 HD11 LEU 131 34.295 -1.583 4.031 1067 HD12 LEU 131 HD12 LEU 131 35.955 -1.001 3.912 1068 HD13 LEU 131 HD13 LEU 131 35.618 -2.554 4.677 1069 HD21 LEU 131 HD21 LEU 131 35.678 -0.676 1.573 1070 HD22 LEU 131 HD22 LEU 131 34.094 -1.425 1.371 1071 HD23 LEU 131 HD23 LEU 131 35.482 -2.039 0.471 1072 H SER 132 H SER 132 39.762 -3.076 0.917 1073 HA SER 132 HA SER 132 41.246 -4.552 2.939 1074 HB2 SER 132 HB2 SER 132 40.707 -5.594 0.741 1075 HB3 SER 132 HB3 SER 132 41.726 -4.390 -0.047 1076 HG SER 132 HG SER 132 42.663 -6.120 1.991 1077 H ALA 133 H ALA 133 41.736 -2.273 3.838 1078 HA ALA 133 HA ALA 133 43.600 -0.599 2.555 1079 HB1 ALA 133 HB1 ALA 133 44.003 0.328 4.816 1080 HB2 ALA 133 HB2 ALA 133 42.291 0.213 4.405 1081 HB3 ALA 133 HB3 ALA 133 43.019 -0.972 5.490 Start of MODEL 3 1 H MET 1 H MET 1 -0.550 -1.478 -0.770 2 HA MET 1 HA MET 1 2.066 -0.504 -1.120 3 HB2 MET 1 HB2 MET 1 0.735 -1.667 1.332 4 HB3 MET 1 HB3 MET 1 2.272 -0.812 1.342 5 HG2 MET 1 HG2 MET 1 -0.214 0.462 0.266 6 HG3 MET 1 HG3 MET 1 0.160 0.474 1.987 7 HE1 MET 1 HE1 MET 1 1.277 3.406 -1.009 8 HE2 MET 1 HE2 MET 1 1.876 1.864 -1.620 9 HE3 MET 1 HE3 MET 1 0.192 2.019 -1.117 10 H THR 2 H THR 2 2.437 -2.498 -2.663 11 HA THR 2 HA THR 2 4.038 -4.419 -1.120 12 HB THR 2 HB THR 2 3.396 -6.213 -2.719 13 HG1 THR 2 HG1 THR 2 1.252 -4.518 -3.491 14 HG21 THR 2 HG21 THR 2 2.296 -5.988 -0.513 15 HG22 THR 2 HG22 THR 2 1.232 -6.689 -1.733 16 HG23 THR 2 HG23 THR 2 1.044 -5.000 -1.264 17 H LEU 3 H LEU 3 5.827 -5.328 -2.258 18 HA LEU 3 HA LEU 3 7.081 -3.473 -4.036 19 HB2 LEU 3 HB2 LEU 3 7.824 -6.026 -2.720 20 HB3 LEU 3 HB3 LEU 3 8.741 -5.548 -4.147 21 HG LEU 3 HG LEU 3 9.219 -3.370 -2.973 22 HD11 LEU 3 HD11 LEU 3 8.915 -4.344 -0.317 23 HD12 LEU 3 HD12 LEU 3 7.352 -4.420 -1.130 24 HD13 LEU 3 HD13 LEU 3 8.231 -2.893 -1.050 25 HD21 LEU 3 HD21 LEU 3 10.881 -4.454 -1.391 26 HD22 LEU 3 HD22 LEU 3 10.970 -4.940 -3.084 27 HD23 LEU 3 HD23 LEU 3 10.203 -6.000 -1.902 28 HA PRO 4 HA PRO 4 6.110 -5.122 -7.984 29 HB2 PRO 4 HB2 PRO 4 8.475 -4.930 -9.303 30 HB3 PRO 4 HB3 PRO 4 7.489 -3.523 -8.890 31 HG2 PRO 4 HG2 PRO 4 9.898 -4.623 -7.495 32 HG3 PRO 4 HG3 PRO 4 9.487 -2.936 -7.855 33 HD2 PRO 4 HD2 PRO 4 9.110 -4.037 -5.410 34 HD3 PRO 4 HD3 PRO 4 8.048 -2.772 -6.062 35 H SER 5 H SER 5 8.815 -6.535 -6.270 36 HA SER 5 HA SER 5 9.055 -8.812 -8.005 37 HB2 SER 5 HB2 SER 5 11.064 -8.649 -6.974 38 HB3 SER 5 HB3 SER 5 10.387 -7.806 -5.581 39 HG SER 5 HG SER 5 10.376 -9.629 -4.556 40 H GLY 6 H GLY 6 7.043 -7.936 -5.375 41 HA2 GLY 6 HA2 GLY 6 5.033 -9.250 -5.027 42 HA3 GLY 6 HA3 GLY 6 5.998 -10.694 -5.295 43 H HIS 7 H HIS 7 7.712 -8.479 -3.461 44 HA HIS 7 HA HIS 7 7.276 -10.070 -1.061 45 HB2 HIS 7 HB2 HIS 7 9.479 -8.600 -2.186 46 HB3 HIS 7 HB3 HIS 7 9.166 -8.037 -0.546 47 HD1 HIS 7 HD1 HIS 7 8.974 -11.582 -1.906 48 HD2 HIS 7 HD2 HIS 7 11.048 -9.338 0.910 49 HE1 HIS 7 HE1 HIS 7 10.414 -13.227 -0.663 50 HA PRO 8 HA PRO 8 4.776 -7.146 1.052 51 HB2 PRO 8 HB2 PRO 8 5.576 -7.539 3.616 52 HB3 PRO 8 HB3 PRO 8 4.587 -8.705 2.729 53 HG2 PRO 8 HG2 PRO 8 7.539 -8.718 3.228 54 HG3 PRO 8 HG3 PRO 8 6.384 -10.060 3.315 55 HD2 PRO 8 HD2 PRO 8 8.004 -9.668 1.181 56 HD3 PRO 8 HD3 PRO 8 6.381 -10.370 1.031 57 H LYS 9 H LYS 9 4.983 -5.007 1.073 58 HA LYS 9 HA LYS 9 7.504 -3.705 1.301 59 HB2 LYS 9 HB2 LYS 9 5.380 -2.951 0.025 60 HB3 LYS 9 HB3 LYS 9 4.855 -2.310 1.576 61 HG2 LYS 9 HG2 LYS 9 6.544 -0.721 1.636 62 HG3 LYS 9 HG3 LYS 9 7.533 -1.587 0.458 63 HD2 LYS 9 HD2 LYS 9 6.708 0.109 -0.850 64 HD3 LYS 9 HD3 LYS 9 5.481 -1.131 -1.120 65 HE2 LYS 9 HE2 LYS 9 4.284 0.849 -0.696 66 HE3 LYS 9 HE3 LYS 9 4.204 -0.074 0.804 67 HZ1 LYS 9 HZ1 LYS 9 5.478 2.464 0.265 68 HZ2 LYS 9 HZ2 LYS 9 6.415 1.394 1.180 69 HZ3 LYS 9 HZ3 LYS 9 4.875 1.841 1.718 70 H SER 10 H SER 10 4.593 -3.571 3.362 71 HA SER 10 HA SER 10 5.659 -2.067 5.431 72 HB2 SER 10 HB2 SER 10 3.593 -4.274 5.597 73 HB3 SER 10 HB3 SER 10 3.894 -3.072 6.851 74 HG SER 10 HG SER 10 3.095 -2.491 4.189 75 H ARG 11 H ARG 11 5.654 -5.593 5.022 76 HA ARG 11 HA ARG 11 6.905 -6.226 7.455 77 HB2 ARG 11 HB2 ARG 11 5.761 -7.720 5.589 78 HB3 ARG 11 HB3 ARG 11 7.421 -7.892 5.035 79 HG2 ARG 11 HG2 ARG 11 7.312 -9.681 6.423 80 HG3 ARG 11 HG3 ARG 11 7.829 -8.458 7.586 81 HD2 ARG 11 HD2 ARG 11 5.388 -8.082 8.095 82 HD3 ARG 11 HD3 ARG 11 5.049 -9.517 7.129 83 HE ARG 11 HE ARG 11 6.900 -10.371 8.921 84 HH11 ARG 11 HH11 ARG 11 3.837 -8.740 9.196 85 HH12 ARG 11 HH12 ARG 11 3.460 -9.429 10.740 86 HH21 ARG 11 HH21 ARG 11 6.416 -11.285 10.954 87 HH22 ARG 11 HH22 ARG 11 4.929 -10.876 11.740 88 H LEU 12 H LEU 12 8.194 -5.293 4.326 89 HA LEU 12 HA LEU 12 10.911 -5.921 4.943 90 HB2 LEU 12 HB2 LEU 12 9.418 -4.792 2.724 91 HB3 LEU 12 HB3 LEU 12 10.960 -3.977 2.971 92 HG LEU 12 HG LEU 12 12.143 -6.083 2.712 93 HD11 LEU 12 HD11 LEU 12 9.602 -7.204 3.275 94 HD12 LEU 12 HD12 LEU 12 11.147 -8.028 3.067 95 HD13 LEU 12 HD13 LEU 12 10.099 -7.755 1.675 96 HD21 LEU 12 HD21 LEU 12 10.194 -5.926 0.438 97 HD22 LEU 12 HD22 LEU 12 11.920 -6.287 0.398 98 HD23 LEU 12 HD23 LEU 12 11.369 -4.645 0.734 99 H ILE 13 H ILE 13 9.061 -2.884 4.814 100 HA ILE 13 HA ILE 13 11.110 -1.145 5.543 101 HB ILE 13 HB ILE 13 8.160 -0.937 6.156 102 HG12 ILE 13 HG12 ILE 13 8.729 -1.096 3.754 103 HG13 ILE 13 HG13 ILE 13 8.068 0.480 4.175 104 HG21 ILE 13 HG21 ILE 13 8.938 0.666 7.566 105 HG22 ILE 13 HG22 ILE 13 10.438 0.885 6.666 106 HG23 ILE 13 HG23 ILE 13 8.942 1.605 6.074 107 HD11 ILE 13 HD11 ILE 13 10.365 1.376 4.249 108 HD12 ILE 13 HD12 ILE 13 10.961 -0.194 3.710 109 HD13 ILE 13 HD13 ILE 13 9.907 0.756 2.663 110 H LYS 14 H LYS 14 8.892 -3.019 7.563 111 HA LYS 14 HA LYS 14 9.745 -1.931 10.037 112 HB2 LYS 14 HB2 LYS 14 8.355 -4.519 9.343 113 HB3 LYS 14 HB3 LYS 14 8.669 -4.006 10.996 114 HG2 LYS 14 HG2 LYS 14 7.238 -2.142 9.173 115 HG3 LYS 14 HG3 LYS 14 6.367 -3.528 9.833 116 HD2 LYS 14 HD2 LYS 14 5.948 -2.011 11.484 117 HD3 LYS 14 HD3 LYS 14 7.469 -2.671 12.088 118 HE2 LYS 14 HE2 LYS 14 8.671 -0.798 11.496 119 HE3 LYS 14 HE3 LYS 14 7.531 -0.338 10.232 120 HZ1 LYS 14 HZ1 LYS 14 7.563 0.375 13.013 121 HZ2 LYS 14 HZ2 LYS 14 6.050 -0.172 12.493 122 HZ3 LYS 14 HZ3 LYS 14 6.791 1.133 11.713 123 H LYS 15 H LYS 15 10.728 -4.760 8.164 124 HA LYS 15 HA LYS 15 12.494 -5.819 10.114 125 HB2 LYS 15 HB2 LYS 15 11.946 -6.287 7.235 126 HB3 LYS 15 HB3 LYS 15 13.515 -6.809 7.834 127 HG2 LYS 15 HG2 LYS 15 11.978 -7.865 9.739 128 HG3 LYS 15 HG3 LYS 15 10.813 -7.859 8.413 129 HD2 LYS 15 HD2 LYS 15 13.574 -9.075 8.310 130 HD3 LYS 15 HD3 LYS 15 12.070 -9.971 8.540 131 HE2 LYS 15 HE2 LYS 15 12.909 -8.383 6.120 132 HE3 LYS 15 HE3 LYS 15 12.698 -10.130 6.234 133 HZ1 LYS 15 HZ1 LYS 15 10.689 -9.658 5.388 134 HZ2 LYS 15 HZ2 LYS 15 10.714 -8.046 5.898 135 HZ3 LYS 15 HZ3 LYS 15 10.288 -9.270 6.985 136 H PHE 16 H PHE 16 12.975 -3.700 7.314 137 HA PHE 16 HA PHE 16 15.760 -3.528 7.420 138 HB2 PHE 16 HB2 PHE 16 13.675 -1.570 6.456 139 HB3 PHE 16 HB3 PHE 16 15.403 -1.285 6.277 140 HD1 PHE 16 HD2 PHE 16 16.391 -3.951 5.577 141 HD2 PHE 16 HD1 PHE 16 12.882 -1.903 4.310 142 HE1 PHE 16 HE2 PHE 16 16.389 -5.253 3.490 143 HE2 PHE 16 HE1 PHE 16 12.873 -3.203 2.221 144 HZ PHE 16 HZ PHE 16 14.629 -4.880 1.809 145 H THR 17 H THR 17 13.318 -2.061 9.390 146 HA THR 17 HA THR 17 14.780 0.107 10.426 147 HB THR 17 HB THR 17 12.612 -1.489 11.805 148 HG1 THR 17 HG1 THR 17 11.208 -0.024 10.861 149 HG21 THR 17 HG21 THR 17 12.228 0.632 13.042 150 HG22 THR 17 HG22 THR 17 13.685 1.290 12.298 151 HG23 THR 17 HG23 THR 17 13.798 -0.096 13.382 152 H ALA 18 H ALA 18 15.001 -3.274 10.994 153 HA ALA 18 HA ALA 18 16.253 -3.070 13.579 154 HB1 ALA 18 HB1 ALA 18 14.972 -5.084 12.276 155 HB2 ALA 18 HB2 ALA 18 16.661 -5.550 12.072 156 HB3 ALA 18 HB3 ALA 18 16.005 -5.296 13.690 157 H LEU 19 H LEU 19 17.274 -2.444 10.474 158 HA LEU 19 HA LEU 19 20.055 -3.207 11.030 159 HB2 LEU 19 HB2 LEU 19 18.896 -2.219 8.433 160 HB3 LEU 19 HB3 LEU 19 20.477 -2.955 8.688 161 HG LEU 19 HG LEU 19 17.824 -4.368 8.957 162 HD11 LEU 19 HD11 LEU 19 19.304 -5.540 6.935 163 HD12 LEU 19 HD12 LEU 19 19.523 -3.809 6.678 164 HD13 LEU 19 HD13 LEU 19 17.899 -4.493 6.738 165 HD21 LEU 19 HD21 LEU 19 19.065 -5.718 10.259 166 HD22 LEU 19 HD22 LEU 19 20.592 -5.077 9.651 167 HD23 LEU 19 HD23 LEU 19 19.712 -6.292 8.722 168 H GLY 20 H GLY 20 18.153 -0.682 11.632 169 HA2 GLY 20 HA2 GLY 20 20.076 1.141 12.289 170 HA3 GLY 20 HA3 GLY 20 19.733 1.486 10.600 171 HA PRO 21 HA PRO 21 16.818 4.101 12.960 172 HB2 PRO 21 HB2 PRO 21 16.814 6.106 11.130 173 HB3 PRO 21 HB3 PRO 21 18.050 5.953 12.385 174 HG2 PRO 21 HG2 PRO 21 18.163 5.145 9.504 175 HG3 PRO 21 HG3 PRO 21 19.395 5.957 10.488 176 HD2 PRO 21 HD2 PRO 21 19.479 3.305 9.946 177 HD3 PRO 21 HD3 PRO 21 20.093 3.989 11.465 178 H TYR 22 H TYR 22 14.728 5.075 12.254 179 HA TYR 22 HA TYR 22 13.162 3.205 10.868 180 HB2 TYR 22 HB2 TYR 22 12.607 6.080 11.611 181 HB3 TYR 22 HB3 TYR 22 11.396 4.995 10.938 182 HD1 TYR 22 HD2 TYR 22 10.839 2.875 12.234 183 HD2 TYR 22 HD1 TYR 22 13.058 6.093 13.914 184 HE1 TYR 22 HE2 TYR 22 10.320 2.047 14.491 185 HE2 TYR 22 HE1 TYR 22 12.546 5.273 16.176 186 HH TYR 22 HH TYR 22 10.619 3.817 17.213 187 H ILE 23 H ILE 23 12.602 2.978 8.788 188 HA ILE 23 HA ILE 23 13.959 4.564 6.806 189 HB ILE 23 HB ILE 23 11.948 2.336 6.467 190 HG12 ILE 23 HG12 ILE 23 14.199 1.203 5.691 191 HG13 ILE 23 HG13 ILE 23 14.928 2.430 6.721 192 HG21 ILE 23 HG21 ILE 23 11.835 3.171 4.381 193 HG22 ILE 23 HG22 ILE 23 13.326 4.095 4.560 194 HG23 ILE 23 HG23 ILE 23 13.395 2.374 4.181 195 HD11 ILE 23 HD11 ILE 23 13.938 1.565 8.644 196 HD12 ILE 23 HD12 ILE 23 12.757 0.630 7.725 197 HD13 ILE 23 HD13 ILE 23 14.452 0.144 7.736 198 H ARG 24 H ARG 24 13.062 5.937 5.298 199 HA ARG 24 HA ARG 24 10.598 7.218 6.091 200 HB2 ARG 24 HB2 ARG 24 12.594 7.789 3.900 201 HB3 ARG 24 HB3 ARG 24 11.134 8.739 4.143 202 HG2 ARG 24 HG2 ARG 24 11.874 9.493 6.267 203 HG3 ARG 24 HG3 ARG 24 13.211 8.342 6.278 204 HD2 ARG 24 HD2 ARG 24 14.056 10.533 5.746 205 HD3 ARG 24 HD3 ARG 24 14.174 9.505 4.319 206 HE ARG 24 HE ARG 24 12.777 10.946 3.242 207 HH11 ARG 24 HH11 ARG 24 12.365 11.363 6.674 208 HH12 ARG 24 HH12 ARG 24 11.282 12.705 6.513 209 HH21 ARG 24 HH21 ARG 24 11.352 12.713 3.017 210 HH22 ARG 24 HH22 ARG 24 10.705 13.472 4.433 211 H GLU 25 H GLU 25 8.923 5.823 5.640 212 HA GLU 25 HA GLU 25 8.567 4.234 3.413 213 HB2 GLU 25 HB2 GLU 25 6.630 5.603 5.253 214 HB3 GLU 25 HB3 GLU 25 6.046 4.671 3.882 215 HG2 GLU 25 HG2 GLU 25 6.024 3.016 5.404 216 HG3 GLU 25 HG3 GLU 25 7.715 2.872 4.928 217 H GLY 26 H GLY 26 8.068 7.678 3.770 218 HA2 GLY 26 HA2 GLY 26 7.756 9.315 2.186 219 HA3 GLY 26 HA3 GLY 26 8.113 8.104 0.963 220 H GLN 27 H GLN 27 6.140 10.190 0.810 221 HA GLN 27 HA GLN 27 3.572 8.893 1.158 222 HB2 GLN 27 HB2 GLN 27 4.424 11.605 0.168 223 HB3 GLN 27 HB3 GLN 27 2.759 11.054 0.033 224 HG2 GLN 27 HG2 GLN 27 2.923 12.373 1.995 225 HG3 GLN 27 HG3 GLN 27 2.756 10.692 2.498 226 HE21 GLN 27 HE21 GLN 27 3.970 10.232 4.173 227 HE22 GLN 27 HE22 GLN 27 5.546 10.859 4.500 228 H CYS 28 H CYS 28 5.518 10.122 -1.554 229 HA CYS 28 HA CYS 28 3.805 9.359 -3.619 230 HB2 CYS 28 HB2 CYS 28 6.004 10.775 -3.641 231 HB3 CYS 28 HB3 CYS 28 6.782 9.228 -3.953 232 HG CYS 28 HG CYS 28 6.534 9.531 -6.487 233 H GLU 29 H GLU 29 4.095 7.608 -5.188 234 HA GLU 29 HA GLU 29 4.541 5.086 -3.803 235 HB2 GLU 29 HB2 GLU 29 2.508 5.674 -5.303 236 HB3 GLU 29 HB3 GLU 29 3.599 5.348 -6.643 237 HG2 GLU 29 HG2 GLU 29 4.018 3.095 -5.620 238 HG3 GLU 29 HG3 GLU 29 2.706 3.446 -4.496 239 H ASP 30 H ASP 30 6.804 5.043 -3.690 240 HA ASP 30 HA ASP 30 8.178 4.730 -6.278 241 HB2 ASP 30 HB2 ASP 30 10.271 5.162 -4.808 242 HB3 ASP 30 HB3 ASP 30 9.247 6.528 -5.240 243 H ASN 31 H ASN 31 9.733 3.058 -6.485 244 HA ASN 31 HA ASN 31 9.213 0.787 -4.695 245 HB2 ASN 31 HB2 ASN 31 10.509 0.624 -7.412 246 HB3 ASN 31 HB3 ASN 31 9.733 -0.664 -6.494 247 HD21 ASN 31 HD21 ASN 31 7.363 -0.099 -5.936 248 HD22 ASN 31 HD22 ASN 31 6.419 0.484 -7.261 249 H ARG 32 H ARG 32 10.974 2.728 -3.775 250 HA ARG 32 HA ARG 32 13.472 1.195 -3.726 251 HB2 ARG 32 HB2 ARG 32 13.315 4.196 -4.070 252 HB3 ARG 32 HB3 ARG 32 14.792 3.270 -3.837 253 HG2 ARG 32 HG2 ARG 32 12.923 2.862 -6.157 254 HG3 ARG 32 HG3 ARG 32 14.317 3.943 -6.195 255 HD2 ARG 32 HD2 ARG 32 15.833 2.152 -5.909 256 HD3 ARG 32 HD3 ARG 32 14.543 1.037 -5.459 257 HE ARG 32 HE ARG 32 14.178 0.639 -7.677 258 HH11 ARG 32 HH11 ARG 32 15.981 3.599 -7.349 259 HH12 ARG 32 HH12 ARG 32 16.237 3.784 -9.053 260 HH21 ARG 32 HH21 ARG 32 14.508 0.872 -9.922 261 HH22 ARG 32 HH22 ARG 32 15.398 2.234 -10.515 262 H PHE 33 H PHE 33 14.794 1.609 -1.844 263 HA PHE 33 HA PHE 33 13.200 2.583 0.432 264 HB2 PHE 33 HB2 PHE 33 15.383 0.490 0.372 265 HB3 PHE 33 HB3 PHE 33 14.575 1.059 1.829 266 HD1 PHE 33 HD1 PHE 33 11.930 0.908 1.719 267 HD2 PHE 33 HD2 PHE 33 14.619 -1.437 -0.602 268 HE1 PHE 33 HE1 PHE 33 10.176 -0.790 1.410 269 HE2 PHE 33 HE2 PHE 33 12.869 -3.139 -0.915 270 HZ PHE 33 HZ PHE 33 10.645 -2.817 0.092 271 H PHE 34 H PHE 34 13.891 4.374 1.380 272 HA PHE 34 HA PHE 34 16.575 5.356 0.794 273 HB2 PHE 34 HB2 PHE 34 14.082 6.620 1.902 274 HB3 PHE 34 HB3 PHE 34 15.643 7.421 2.053 275 HD1 PHE 34 HD2 PHE 34 17.001 7.218 -0.351 276 HD2 PHE 34 HD1 PHE 34 12.789 7.459 0.218 277 HE1 PHE 34 HE2 PHE 34 16.750 8.136 -2.620 278 HE2 PHE 34 HE1 PHE 34 12.532 8.376 -2.050 279 HZ PHE 34 HZ PHE 34 14.513 8.715 -3.473 280 H PHE 35 H PHE 35 18.043 5.999 2.400 281 HA PHE 35 HA PHE 35 17.459 5.334 5.170 282 HB2 PHE 35 HB2 PHE 35 19.746 4.039 3.670 283 HB3 PHE 35 HB3 PHE 35 19.441 3.895 5.398 284 HD1 PHE 35 HD2 PHE 35 18.347 2.896 2.055 285 HD2 PHE 35 HD1 PHE 35 17.668 2.498 6.238 286 HE1 PHE 35 HE2 PHE 35 16.913 0.942 1.633 287 HE2 PHE 35 HE1 PHE 35 16.234 0.542 5.822 288 HZ PHE 35 HZ PHE 35 15.854 -0.238 3.517 289 H ASP 36 H ASP 36 18.094 7.045 6.285 290 HA ASP 36 HA ASP 36 20.416 8.579 5.332 291 HB2 ASP 36 HB2 ASP 36 18.412 9.568 7.349 292 HB3 ASP 36 HB3 ASP 36 19.493 10.506 6.321 293 H CYS 37 H CYS 37 22.231 8.076 6.358 294 HA CYS 37 HA CYS 37 22.096 7.338 9.201 295 HB2 CYS 37 HB2 CYS 37 24.347 6.335 8.832 296 HB3 CYS 37 HB3 CYS 37 23.087 5.604 7.845 297 HG CYS 37 HG CYS 37 23.838 6.807 5.485 298 H LEU 38 H LEU 38 22.975 8.622 10.695 299 HA LEU 38 HA LEU 38 24.515 10.947 9.770 300 HB2 LEU 38 HB2 LEU 38 23.211 10.620 12.458 301 HB3 LEU 38 HB3 LEU 38 23.791 12.104 11.705 302 HG LEU 38 HG LEU 38 21.338 10.512 10.976 303 HD11 LEU 38 HD11 LEU 38 20.808 11.872 12.787 304 HD12 LEU 38 HD12 LEU 38 20.336 12.842 11.393 305 HD13 LEU 38 HD13 LEU 38 21.848 13.184 12.232 306 HD21 LEU 38 HD21 LEU 38 21.347 12.876 9.517 307 HD22 LEU 38 HD22 LEU 38 21.591 11.245 8.891 308 HD23 LEU 38 HD23 LEU 38 22.981 12.236 9.336 309 H ALA 39 H ALA 39 26.555 10.006 9.697 310 HA ALA 39 HA ALA 39 27.624 8.640 12.008 311 HB1 ALA 39 HB1 ALA 39 28.197 8.046 9.637 312 HB2 ALA 39 HB2 ALA 39 29.130 9.541 9.562 313 HB3 ALA 39 HB3 ALA 39 29.580 8.277 10.707 314 H VAL 40 H VAL 40 28.943 11.385 10.155 315 HA VAL 40 HA VAL 40 29.610 12.681 12.716 316 HB VAL 40 HB VAL 40 31.616 13.644 11.411 317 HG11 VAL 40 HG11 VAL 40 31.360 10.871 12.499 318 HG12 VAL 40 HG12 VAL 40 32.901 11.428 11.842 319 HG13 VAL 40 HG13 VAL 40 32.160 12.279 13.197 320 HG21 VAL 40 HG21 VAL 40 30.603 12.499 9.268 321 HG22 VAL 40 HG22 VAL 40 32.348 12.632 9.489 322 HG23 VAL 40 HG23 VAL 40 31.527 11.112 9.846 323 H CYS 41 H CYS 41 29.827 15.010 12.618 324 HA CYS 41 HA CYS 41 27.886 16.168 10.788 325 HB2 CYS 41 HB2 CYS 41 27.880 16.625 13.276 326 HB3 CYS 41 HB3 CYS 41 29.359 17.548 13.035 327 HG CYS 41 HG CYS 41 26.805 19.040 13.270 328 H VAL 42 H VAL 42 28.332 17.590 9.193 329 HA VAL 42 HA VAL 42 30.851 17.679 8.017 330 HB VAL 42 HB VAL 42 29.977 19.615 6.697 331 HG11 VAL 42 HG11 VAL 42 27.695 17.959 6.358 332 HG12 VAL 42 HG12 VAL 42 29.168 18.016 5.388 333 HG13 VAL 42 HG13 VAL 42 29.064 16.929 6.774 334 HG21 VAL 42 HG21 VAL 42 28.619 20.722 8.322 335 HG22 VAL 42 HG22 VAL 42 27.560 20.172 7.024 336 HG23 VAL 42 HG23 VAL 42 27.620 19.286 8.547 337 H ASN 43 H ASN 43 29.309 19.937 10.251 338 HA ASN 43 HA ASN 43 31.718 20.860 11.335 339 HB2 ASN 43 HB2 ASN 43 31.468 21.940 8.876 340 HB3 ASN 43 HB3 ASN 43 30.576 23.134 9.815 341 HD21 ASN 43 HD21 ASN 43 32.586 24.236 8.751 342 HD22 ASN 43 HD22 ASN 43 33.948 24.399 9.802 343 H VAL 44 H VAL 44 31.351 22.939 12.649 344 HA VAL 44 HA VAL 44 28.540 23.190 13.466 345 HB VAL 44 HB VAL 44 29.326 23.303 15.858 346 HG11 VAL 44 HG11 VAL 44 30.017 20.570 15.206 347 HG12 VAL 44 HG12 VAL 44 28.598 21.206 16.041 348 HG13 VAL 44 HG13 VAL 44 28.625 21.130 14.279 349 HG21 VAL 44 HG21 VAL 44 31.803 23.465 14.906 350 HG22 VAL 44 HG22 VAL 44 31.450 22.784 16.494 351 HG23 VAL 44 HG23 VAL 44 31.719 21.716 15.116 352 H LYS 45 H LYS 45 30.847 24.782 12.087 353 HA LYS 45 HA LYS 45 31.347 27.037 13.726 354 HB2 LYS 45 HB2 LYS 45 31.963 26.180 11.038 355 HB3 LYS 45 HB3 LYS 45 31.484 27.873 11.046 356 HG2 LYS 45 HG2 LYS 45 33.169 27.957 13.086 357 HG3 LYS 45 HG3 LYS 45 33.853 26.561 12.250 358 HD2 LYS 45 HD2 LYS 45 34.981 28.081 11.047 359 HD3 LYS 45 HD3 LYS 45 33.454 28.316 10.193 360 HE2 LYS 45 HE2 LYS 45 33.717 29.840 12.688 361 HE3 LYS 45 HE3 LYS 45 34.867 30.287 11.429 362 HZ1 LYS 45 HZ1 LYS 45 33.235 31.511 10.587 363 HZ2 LYS 45 HZ2 LYS 45 32.066 30.813 11.591 364 HZ3 LYS 45 HZ3 LYS 45 32.475 30.071 10.126 365 HA PRO 46 HA PRO 46 27.827 29.183 11.205 366 HB2 PRO 46 HB2 PRO 46 26.261 27.596 9.655 367 HB3 PRO 46 HB3 PRO 46 27.741 28.360 9.061 368 HG2 PRO 46 HG2 PRO 46 27.308 25.556 10.016 369 HG3 PRO 46 HG3 PRO 46 28.226 26.130 8.613 370 HD2 PRO 46 HD2 PRO 46 29.415 25.414 10.938 371 HD3 PRO 46 HD3 PRO 46 30.065 26.688 9.886 372 H ALA 47 H ALA 47 25.237 28.810 11.039 373 HA ALA 47 HA ALA 47 24.440 28.164 13.701 374 HB1 ALA 47 HB1 ALA 47 22.929 29.685 13.107 375 HB2 ALA 47 HB2 ALA 47 23.276 29.460 11.392 376 HB3 ALA 47 HB3 ALA 47 22.118 28.406 12.202 377 HA PRO 48 HA PRO 48 23.179 23.975 13.367 378 HB2 PRO 48 HB2 PRO 48 20.895 23.938 14.834 379 HB3 PRO 48 HB3 PRO 48 22.498 24.106 15.558 380 HG2 PRO 48 HG2 PRO 48 20.468 26.217 14.938 381 HG3 PRO 48 HG3 PRO 48 21.477 26.025 16.384 382 HD2 PRO 48 HD2 PRO 48 22.076 27.782 14.412 383 HD3 PRO 48 HD3 PRO 48 23.324 26.963 15.373 384 H GLU 49 H GLU 49 20.922 26.454 12.402 385 HA GLU 49 HA GLU 49 18.904 24.817 11.319 386 HB2 GLU 49 HB2 GLU 49 18.203 26.807 10.080 387 HB3 GLU 49 HB3 GLU 49 18.572 27.202 11.753 388 HG2 GLU 49 HG2 GLU 49 20.944 27.747 10.724 389 HG3 GLU 49 HG3 GLU 49 19.984 27.973 9.263 390 H LYS 50 H LYS 50 22.058 25.623 10.209 391 HA LYS 50 HA LYS 50 21.453 24.458 7.571 392 HB2 LYS 50 HB2 LYS 50 23.613 26.400 8.399 393 HB3 LYS 50 HB3 LYS 50 23.563 25.611 6.828 394 HG2 LYS 50 HG2 LYS 50 21.634 26.760 6.182 395 HG3 LYS 50 HG3 LYS 50 21.257 27.237 7.839 396 HD2 LYS 50 HD2 LYS 50 23.361 28.604 7.822 397 HD3 LYS 50 HD3 LYS 50 23.499 28.254 6.098 398 HE2 LYS 50 HE2 LYS 50 21.473 29.396 5.619 399 HE3 LYS 50 HE3 LYS 50 21.055 29.508 7.328 400 HZ1 LYS 50 HZ1 LYS 50 23.321 30.891 5.996 401 HZ2 LYS 50 HZ2 LYS 50 22.960 30.977 7.646 402 HZ3 LYS 50 HZ3 LYS 50 21.880 31.612 6.510 403 H ARG 51 H ARG 51 22.279 23.270 10.289 404 HA ARG 51 HA ARG 51 24.881 22.177 9.913 405 HB2 ARG 51 HB2 ARG 51 24.477 20.914 11.870 406 HB3 ARG 51 HB3 ARG 51 23.640 22.441 12.114 407 HG2 ARG 51 HG2 ARG 51 21.580 21.172 11.182 408 HG3 ARG 51 HG3 ARG 51 22.510 19.729 11.591 409 HD2 ARG 51 HD2 ARG 51 22.075 21.940 13.574 410 HD3 ARG 51 HD3 ARG 51 20.887 20.657 13.347 411 HE ARG 51 HE ARG 51 23.330 19.415 13.736 412 HH11 ARG 51 HH11 ARG 51 21.208 21.526 15.513 413 HH12 ARG 51 HH12 ARG 51 21.689 20.919 17.063 414 HH21 ARG 51 HH21 ARG 51 23.970 18.606 15.770 415 HH22 ARG 51 HH22 ARG 51 23.260 19.258 17.208 416 H GLU 52 H GLU 52 25.504 20.148 9.216 417 HA GLU 52 HA GLU 52 23.436 18.416 8.065 418 HB2 GLU 52 HB2 GLU 52 25.987 19.026 6.583 419 HB3 GLU 52 HB3 GLU 52 24.558 18.193 5.987 420 HG2 GLU 52 HG2 GLU 52 23.289 20.261 6.076 421 HG3 GLU 52 HG3 GLU 52 24.692 21.107 6.726 422 H PHE 53 H PHE 53 24.359 16.249 7.441 423 HA PHE 53 HA PHE 53 26.658 15.491 9.098 424 HB2 PHE 53 HB2 PHE 53 24.152 13.817 9.009 425 HB3 PHE 53 HB3 PHE 53 25.528 13.658 10.096 426 HD1 PHE 53 HD2 PHE 53 25.996 16.011 11.405 427 HD2 PHE 53 HD1 PHE 53 22.242 14.602 9.979 428 HE1 PHE 53 HE2 PHE 53 24.844 17.408 13.070 429 HE2 PHE 53 HE1 PHE 53 21.083 15.998 11.641 430 HZ PHE 53 HZ PHE 53 22.384 17.403 13.191 431 H TRP 54 H TRP 54 27.846 13.737 8.354 432 HA TRP 54 HA TRP 54 27.592 13.218 5.529 433 HB2 TRP 54 HB2 TRP 54 29.578 12.229 7.585 434 HB3 TRP 54 HB3 TRP 54 29.676 11.879 5.861 435 HD1 TRP 54 HD1 TRP 54 31.027 14.200 8.307 436 HE1 TRP 54 HE1 TRP 54 31.978 16.310 7.181 437 HE3 TRP 54 HE3 TRP 54 28.933 13.662 3.674 438 HZ2 TRP 54 HZ2 TRP 54 31.856 17.578 4.662 439 HZ3 TRP 54 HZ3 TRP 54 29.400 15.368 1.963 440 HH2 TRP 54 HH2 TRP 54 30.831 17.285 2.449 441 H GLY 55 H GLY 55 27.517 11.086 4.592 442 HA2 GLY 55 HA2 GLY 55 27.157 8.672 5.809 443 HA3 GLY 55 HA3 GLY 55 25.568 9.418 5.892 444 H TRP 56 H TRP 56 26.434 7.025 4.442 445 HA TRP 56 HA TRP 56 25.861 7.905 1.689 446 HB2 TRP 56 HB2 TRP 56 27.034 5.963 0.880 447 HB3 TRP 56 HB3 TRP 56 28.076 6.795 2.032 448 HD1 TRP 56 HD1 TRP 56 28.300 5.624 4.508 449 HE1 TRP 56 HE1 TRP 56 28.180 3.140 5.171 450 HE3 TRP 56 HE3 TRP 56 25.980 3.783 0.341 451 HZ2 TRP 56 HZ2 TRP 56 27.229 0.720 4.072 452 HZ3 TRP 56 HZ3 TRP 56 25.502 1.373 0.225 453 HH2 TRP 56 HH2 TRP 56 26.115 -0.126 2.053 454 H TRP 57 H TRP 57 24.030 7.229 0.767 455 HA TRP 57 HA TRP 57 22.295 5.450 2.288 456 HB2 TRP 57 HB2 TRP 57 20.557 6.152 0.653 457 HB3 TRP 57 HB3 TRP 57 21.300 7.510 1.493 458 HD1 TRP 57 HD1 TRP 57 21.269 5.798 -1.955 459 HE1 TRP 57 HE1 TRP 57 22.060 7.505 -3.712 460 HE3 TRP 57 HE3 TRP 57 22.602 9.619 1.168 461 HZ2 TRP 57 HZ2 TRP 57 23.110 10.124 -3.766 462 HZ3 TRP 57 HZ3 TRP 57 23.492 11.691 0.184 463 HH2 TRP 57 HH2 TRP 57 23.741 11.936 -2.233 464 H MET 58 H MET 58 20.839 4.016 0.777 465 HA MET 58 HA MET 58 22.382 2.776 -1.363 466 HB2 MET 58 HB2 MET 58 21.243 0.721 0.336 467 HB3 MET 58 HB3 MET 58 22.877 0.870 -0.297 468 HG2 MET 58 HG2 MET 58 23.465 2.358 1.536 469 HG3 MET 58 HG3 MET 58 21.822 2.246 2.163 470 HE1 MET 58 HE1 MET 58 20.754 -0.088 2.097 471 HE2 MET 58 HE2 MET 58 21.714 -1.527 1.750 472 HE3 MET 58 HE3 MET 58 21.310 -1.116 3.418 473 H GLU 59 H GLU 59 21.044 2.636 -3.030 474 HA GLU 59 HA GLU 59 18.170 2.305 -2.523 475 HB2 GLU 59 HB2 GLU 59 17.965 3.031 -4.945 476 HB3 GLU 59 HB3 GLU 59 18.552 4.247 -3.819 477 HG2 GLU 59 HG2 GLU 59 20.630 2.640 -5.135 478 HG3 GLU 59 HG3 GLU 59 19.696 3.694 -6.194 479 H LEU 60 H LEU 60 17.485 0.276 -2.639 480 HA LEU 60 HA LEU 60 18.413 -1.392 -4.869 481 HB2 LEU 60 HB2 LEU 60 18.218 -3.344 -3.207 482 HB3 LEU 60 HB3 LEU 60 19.662 -2.333 -3.167 483 HG LEU 60 HG LEU 60 17.443 -1.631 -1.322 484 HD11 LEU 60 HD11 LEU 60 18.256 -4.261 -1.433 485 HD12 LEU 60 HD12 LEU 60 17.508 -3.459 -0.052 486 HD13 LEU 60 HD13 LEU 60 19.265 -3.572 -0.161 487 HD21 LEU 60 HD21 LEU 60 20.303 -1.842 -0.556 488 HD22 LEU 60 HD22 LEU 60 19.092 -0.641 -0.103 489 HD23 LEU 60 HD23 LEU 60 19.847 -0.576 -1.697 490 H GLU 61 H GLU 61 16.949 -3.185 -5.370 491 HA GLU 61 HA GLU 61 14.209 -2.811 -4.391 492 HB2 GLU 61 HB2 GLU 61 14.428 -1.555 -6.503 493 HB3 GLU 61 HB3 GLU 61 14.967 -3.021 -7.311 494 HG2 GLU 61 HG2 GLU 61 12.741 -4.032 -6.580 495 HG3 GLU 61 HG3 GLU 61 12.250 -2.376 -6.227 496 H ALA 62 H ALA 62 13.284 -4.672 -3.848 497 HA ALA 62 HA ALA 62 14.543 -7.114 -3.814 498 HB1 ALA 62 HB1 ALA 62 12.483 -6.478 -2.548 499 HB2 ALA 62 HB2 ALA 62 11.558 -6.770 -4.021 500 HB3 ALA 62 HB3 ALA 62 12.440 -8.092 -3.256 501 H GLN 63 H GLN 63 15.194 -8.423 -5.379 502 HA GLN 63 HA GLN 63 14.246 -8.134 -8.072 503 HB2 GLN 63 HB2 GLN 63 16.607 -8.926 -7.030 504 HB3 GLN 63 HB3 GLN 63 15.881 -10.495 -7.354 505 HG2 GLN 63 HG2 GLN 63 17.322 -9.584 -9.180 506 HG3 GLN 63 HG3 GLN 63 15.687 -10.030 -9.665 507 HE21 GLN 63 HE21 GLN 63 14.385 -8.527 -10.535 508 HE22 GLN 63 HE22 GLN 63 14.814 -6.868 -10.760 509 H GLU 64 H GLU 64 13.839 -10.319 -9.299 510 HA GLU 64 HA GLU 64 11.332 -11.245 -8.622 511 HB2 GLU 64 HB2 GLU 64 13.028 -11.625 -10.729 512 HB3 GLU 64 HB3 GLU 64 13.011 -13.227 -10.005 513 HG2 GLU 64 HG2 GLU 64 10.359 -12.594 -10.030 514 HG3 GLU 64 HG3 GLU 64 10.939 -11.816 -11.501 515 H LYS 65 H LYS 65 14.315 -13.181 -8.331 516 HA LYS 65 HA LYS 65 13.157 -14.437 -5.933 517 HB2 LYS 65 HB2 LYS 65 14.058 -16.582 -6.604 518 HB3 LYS 65 HB3 LYS 65 13.022 -15.959 -7.882 519 HG2 LYS 65 HG2 LYS 65 14.673 -16.199 -9.330 520 HG3 LYS 65 HG3 LYS 65 15.655 -15.062 -8.404 521 HD2 LYS 65 HD2 LYS 65 16.724 -16.751 -7.226 522 HD3 LYS 65 HD3 LYS 65 15.438 -17.919 -7.537 523 HE2 LYS 65 HE2 LYS 65 17.217 -16.810 -9.698 524 HE3 LYS 65 HE3 LYS 65 17.594 -18.281 -8.802 525 HZ1 LYS 65 HZ1 LYS 65 15.176 -18.905 -9.541 526 HZ2 LYS 65 HZ2 LYS 65 16.490 -19.146 -10.578 527 HZ3 LYS 65 HZ3 LYS 65 15.489 -17.797 -10.781 528 H ARG 66 H ARG 66 14.943 -12.220 -6.008 529 HA ARG 66 HA ARG 66 16.932 -13.150 -4.206 530 HB2 ARG 66 HB2 ARG 66 18.920 -12.521 -5.513 531 HB3 ARG 66 HB3 ARG 66 18.046 -13.856 -6.253 532 HG2 ARG 66 HG2 ARG 66 16.948 -12.138 -7.747 533 HG3 ARG 66 HG3 ARG 66 18.136 -10.987 -7.132 534 HD2 ARG 66 HD2 ARG 66 19.331 -11.708 -8.907 535 HD3 ARG 66 HD3 ARG 66 19.768 -13.009 -7.800 536 HE ARG 66 HE ARG 66 17.459 -13.826 -9.070 537 HH11 ARG 66 HH11 ARG 66 20.698 -12.943 -9.994 538 HH12 ARG 66 HH12 ARG 66 20.723 -13.977 -11.384 539 HH21 ARG 66 HH21 ARG 66 17.480 -15.192 -10.897 540 HH22 ARG 66 HH22 ARG 66 18.892 -15.255 -11.897 541 H PHE 67 H PHE 67 18.649 -11.218 -3.939 542 HA PHE 67 HA PHE 67 17.234 -8.658 -4.151 543 HB2 PHE 67 HB2 PHE 67 17.477 -10.106 -1.758 544 HB3 PHE 67 HB3 PHE 67 18.673 -8.818 -1.650 545 HD1 PHE 67 HD2 PHE 67 17.901 -6.435 -2.024 546 HD2 PHE 67 HD1 PHE 67 15.213 -9.676 -1.401 547 HE1 PHE 67 HE2 PHE 67 16.131 -4.843 -1.405 548 HE2 PHE 67 HE1 PHE 67 13.438 -8.089 -0.781 549 HZ PHE 67 HZ PHE 67 13.896 -5.669 -0.782 550 H THR 68 H THR 68 18.543 -6.852 -4.325 551 HA THR 68 HA THR 68 21.441 -7.360 -4.489 552 HB THR 68 HB THR 68 20.437 -7.180 -6.754 553 HG1 THR 68 HG1 THR 68 22.443 -6.486 -6.959 554 HG21 THR 68 HG21 THR 68 19.151 -5.449 -7.442 555 HG22 THR 68 HG22 THR 68 20.039 -4.269 -6.479 556 HG23 THR 68 HG23 THR 68 18.815 -5.286 -5.719 557 H TYR 69 H TYR 69 22.750 -5.340 -4.366 558 HA TYR 69 HA TYR 69 21.493 -3.074 -3.063 559 HB2 TYR 69 HB2 TYR 69 22.606 -3.207 -1.008 560 HB3 TYR 69 HB3 TYR 69 22.090 -4.865 -1.300 561 HD1 TYR 69 HD1 TYR 69 24.008 -6.075 -2.963 562 HD2 TYR 69 HD2 TYR 69 24.657 -3.122 0.031 563 HE1 TYR 69 HE1 TYR 69 26.331 -6.846 -2.714 564 HE2 TYR 69 HE2 TYR 69 26.981 -3.884 0.288 565 HH TYR 69 HH TYR 69 28.605 -5.579 -1.826 566 H ARG 70 H ARG 70 22.677 -1.195 -3.221 567 HA ARG 70 HA ARG 70 25.286 -1.396 -4.570 568 HB2 ARG 70 HB2 ARG 70 23.135 0.651 -5.141 569 HB3 ARG 70 HB3 ARG 70 24.714 0.568 -5.910 570 HG2 ARG 70 HG2 ARG 70 22.995 -1.839 -6.070 571 HG3 ARG 70 HG3 ARG 70 22.528 -0.432 -7.028 572 HD2 ARG 70 HD2 ARG 70 25.113 -0.486 -7.646 573 HD3 ARG 70 HD3 ARG 70 24.904 -2.194 -7.261 574 HE ARG 70 HE ARG 70 23.967 -0.841 -9.584 575 HH11 ARG 70 HH11 ARG 70 23.226 -3.421 -7.368 576 HH12 ARG 70 HH12 ARG 70 22.298 -4.321 -8.522 577 HH21 ARG 70 HH21 ARG 70 22.748 -2.016 -11.112 578 HH22 ARG 70 HH22 ARG 70 22.028 -3.521 -10.652 579 H TYR 71 H TYR 71 26.652 0.530 -4.313 580 HA TYR 71 HA TYR 71 26.208 1.782 -1.686 581 HB2 TYR 71 HB2 TYR 71 28.725 2.129 -1.740 582 HB3 TYR 71 HB3 TYR 71 28.177 0.464 -1.577 583 HD1 TYR 71 HD1 TYR 71 28.378 -1.099 -3.469 584 HD2 TYR 71 HD2 TYR 71 29.911 2.864 -3.694 585 HE1 TYR 71 HE1 TYR 71 29.724 -1.737 -5.425 586 HE2 TYR 71 HE2 TYR 71 31.261 2.236 -5.652 587 HH TYR 71 HH TYR 71 30.790 -0.078 -7.545 588 H GLN 72 H GLN 72 25.759 3.875 -1.686 589 HA GLN 72 HA GLN 72 26.893 5.581 -3.787 590 HB2 GLN 72 HB2 GLN 72 24.466 4.921 -4.235 591 HB3 GLN 72 HB3 GLN 72 24.052 5.898 -2.833 592 HG2 GLN 72 HG2 GLN 72 23.772 7.086 -4.972 593 HG3 GLN 72 HG3 GLN 72 24.910 7.874 -3.881 594 HE21 GLN 72 HE21 GLN 72 26.440 8.783 -5.049 595 HE22 GLN 72 HE22 GLN 72 27.277 8.056 -6.373 596 H PHE 73 H PHE 73 28.031 7.149 -2.881 597 HA PHE 73 HA PHE 73 27.535 7.877 -0.104 598 HB2 PHE 73 HB2 PHE 73 29.794 8.313 -2.026 599 HB3 PHE 73 HB3 PHE 73 29.659 9.324 -0.591 600 HD1 PHE 73 HD2 PHE 73 29.262 5.685 -1.336 601 HD2 PHE 73 HD1 PHE 73 31.054 8.680 1.101 602 HE1 PHE 73 HE2 PHE 73 30.370 3.936 -0.007 603 HE2 PHE 73 HE1 PHE 73 32.165 6.935 2.433 604 HZ PHE 73 HZ PHE 73 31.824 4.560 1.880 605 H GLY 74 H GLY 74 27.657 10.212 0.497 606 HA2 GLY 74 HA2 GLY 74 27.351 12.389 -1.106 607 HA3 GLY 74 HA3 GLY 74 25.742 11.683 -1.075 608 H LEU 75 H LEU 75 25.210 13.802 -0.108 609 HA LEU 75 HA LEU 75 25.688 13.759 2.799 610 HB2 LEU 75 HB2 LEU 75 26.871 15.629 2.008 611 HB3 LEU 75 HB3 LEU 75 25.583 16.073 0.890 612 HG LEU 75 HG LEU 75 24.187 16.775 2.771 613 HD11 LEU 75 HD11 LEU 75 24.583 16.136 4.855 614 HD12 LEU 75 HD12 LEU 75 26.186 16.870 4.818 615 HD13 LEU 75 HD13 LEU 75 25.966 15.206 4.276 616 HD21 LEU 75 HD21 LEU 75 25.213 18.664 2.096 617 HD22 LEU 75 HD22 LEU 75 26.824 17.950 2.181 618 HD23 LEU 75 HD23 LEU 75 26.036 18.529 3.650 619 H PHE 76 H PHE 76 23.957 14.172 4.137 620 HA PHE 76 HA PHE 76 21.328 14.196 2.816 621 HB2 PHE 76 HB2 PHE 76 21.619 12.190 4.102 622 HB3 PHE 76 HB3 PHE 76 22.189 13.102 5.496 623 HD1 PHE 76 HD1 PHE 76 19.202 12.912 3.268 624 HD2 PHE 76 HD2 PHE 76 20.710 13.464 7.209 625 HE1 PHE 76 HE1 PHE 76 16.900 13.022 4.130 626 HE2 PHE 76 HE2 PHE 76 18.411 13.574 8.078 627 HZ PHE 76 HZ PHE 76 16.502 13.354 6.537 628 H ASP 77 H ASP 77 20.754 16.297 2.695 629 HA ASP 77 HA ASP 77 21.285 18.150 4.835 630 HB2 ASP 77 HB2 ASP 77 21.151 18.626 2.279 631 HB3 ASP 77 HB3 ASP 77 19.412 18.705 2.554 632 H LYS 78 H LYS 78 19.387 19.590 5.559 633 HA LYS 78 HA LYS 78 17.644 18.064 7.117 634 HB2 LYS 78 HB2 LYS 78 16.427 20.230 7.475 635 HB3 LYS 78 HB3 LYS 78 18.156 20.301 7.786 636 HG2 LYS 78 HG2 LYS 78 18.557 21.690 6.039 637 HG3 LYS 78 HG3 LYS 78 17.241 21.028 5.066 638 HD2 LYS 78 HD2 LYS 78 16.745 23.314 5.744 639 HD3 LYS 78 HD3 LYS 78 15.616 22.184 6.495 640 HE2 LYS 78 HE2 LYS 78 16.491 22.492 8.592 641 HE3 LYS 78 HE3 LYS 78 18.089 22.918 7.980 642 HZ1 LYS 78 HZ1 LYS 78 15.765 24.608 8.434 643 HZ2 LYS 78 HZ2 LYS 78 16.676 24.954 7.052 644 HZ3 LYS 78 HZ3 LYS 78 17.412 24.969 8.575 645 H GLU 79 H GLU 79 17.324 19.294 3.875 646 HA GLU 79 HA GLU 79 14.483 18.691 3.762 647 HB2 GLU 79 HB2 GLU 79 16.451 20.031 1.977 648 HB3 GLU 79 HB3 GLU 79 15.053 19.279 1.221 649 HG2 GLU 79 HG2 GLU 79 15.027 21.424 3.331 650 HG3 GLU 79 HG3 GLU 79 14.603 21.602 1.629 651 H GLY 80 H GLY 80 17.358 17.010 3.406 652 HA2 GLY 80 HA2 GLY 80 17.741 14.821 2.793 653 HA3 GLY 80 HA3 GLY 80 16.020 14.665 2.474 654 H ASN 81 H ASN 81 17.623 17.247 0.889 655 HA ASN 81 HA ASN 81 17.086 16.078 -1.680 656 HB2 ASN 81 HB2 ASN 81 18.539 18.652 -1.028 657 HB3 ASN 81 HB3 ASN 81 17.866 18.196 -2.591 658 HD21 ASN 81 HD21 ASN 81 15.438 17.156 -1.832 659 HD22 ASN 81 HD22 ASN 81 14.461 18.414 -1.163 660 H TRP 82 H TRP 82 18.408 14.806 -2.782 661 HA TRP 82 HA TRP 82 20.968 14.075 -1.916 662 HB2 TRP 82 HB2 TRP 82 21.185 12.961 -4.115 663 HB3 TRP 82 HB3 TRP 82 19.635 12.626 -3.347 664 HD1 TRP 82 HD1 TRP 82 17.451 13.788 -4.442 665 HE1 TRP 82 HE1 TRP 82 17.014 14.649 -6.828 666 HE3 TRP 82 HE3 TRP 82 22.278 14.062 -6.102 667 HZ2 TRP 82 HZ2 TRP 82 18.517 15.351 -9.112 668 HZ3 TRP 82 HZ3 TRP 82 22.693 14.838 -8.400 669 HH2 TRP 82 HH2 TRP 82 20.849 15.469 -9.872 670 H THR 83 H THR 83 22.837 15.114 -2.021 671 HA THR 83 HA THR 83 23.441 16.805 -4.321 672 HB THR 83 HB THR 83 23.673 17.821 -1.482 673 HG1 THR 83 HG1 THR 83 21.918 19.005 -1.917 674 HG21 THR 83 HG21 THR 83 25.460 18.809 -2.586 675 HG22 THR 83 HG22 THR 83 24.172 19.987 -2.835 676 HG23 THR 83 HG23 THR 83 24.607 18.868 -4.127 677 H VAL 84 H VAL 84 25.298 16.031 -5.064 678 HA VAL 84 HA VAL 84 27.106 14.505 -3.482 679 HB VAL 84 HB VAL 84 28.601 14.645 -5.493 680 HG11 VAL 84 HG11 VAL 84 27.501 12.907 -6.386 681 HG12 VAL 84 HG12 VAL 84 26.346 13.165 -5.077 682 HG13 VAL 84 HG13 VAL 84 26.041 13.853 -6.672 683 HG21 VAL 84 HG21 VAL 84 26.692 15.613 -7.360 684 HG22 VAL 84 HG22 VAL 84 26.903 16.835 -6.106 685 HG23 VAL 84 HG23 VAL 84 28.300 16.244 -7.004 686 H VAL 85 H VAL 85 28.548 15.257 -2.091 687 HA VAL 85 HA VAL 85 29.891 17.808 -2.673 688 HB VAL 85 HB VAL 85 29.903 18.076 -0.075 689 HG11 VAL 85 HG11 VAL 85 28.893 19.820 -1.137 690 HG12 VAL 85 HG12 VAL 85 27.806 18.777 -2.057 691 HG13 VAL 85 HG13 VAL 85 27.480 19.112 -0.356 692 HG21 VAL 85 HG21 VAL 85 28.398 16.944 1.172 693 HG22 VAL 85 HG22 VAL 85 27.206 16.880 -0.126 694 HG23 VAL 85 HG23 VAL 85 28.556 15.746 -0.113 695 HA PRO 86 HA PRO 86 33.655 15.761 -1.722 696 HB2 PRO 86 HB2 PRO 86 35.088 17.743 -0.544 697 HB3 PRO 86 HB3 PRO 86 34.733 17.713 -2.275 698 HG2 PRO 86 HG2 PRO 86 33.371 19.238 -0.088 699 HG3 PRO 86 HG3 PRO 86 33.832 19.782 -1.712 700 HD2 PRO 86 HD2 PRO 86 31.301 19.054 -1.083 701 HD3 PRO 86 HD3 PRO 86 31.993 18.803 -2.698 702 H ILE 87 H ILE 87 34.689 14.641 -0.109 703 HA ILE 87 HA ILE 87 33.468 14.812 2.545 704 HB ILE 87 HB ILE 87 35.250 12.681 1.359 705 HG12 ILE 87 HG12 ILE 87 32.993 12.814 0.350 706 HG13 ILE 87 HG13 ILE 87 33.229 11.325 1.259 707 HG21 ILE 87 HG21 ILE 87 34.306 11.400 3.399 708 HG22 ILE 87 HG22 ILE 87 35.644 12.523 3.636 709 HG23 ILE 87 HG23 ILE 87 34.001 13.008 4.057 710 HD11 ILE 87 HD11 ILE 87 31.039 12.170 1.699 711 HD12 ILE 87 HD12 ILE 87 32.017 12.359 3.155 712 HD13 ILE 87 HD13 ILE 87 31.686 13.754 2.128 713 H ASN 88 H ASN 88 34.666 15.018 4.434 714 HA ASN 88 HA ASN 88 36.858 16.737 4.384 715 HB2 ASN 88 HB2 ASN 88 35.690 14.957 6.504 716 HB3 ASN 88 HB3 ASN 88 37.161 15.873 6.819 717 HD21 ASN 88 HD21 ASN 88 36.623 17.513 8.066 718 HD22 ASN 88 HD22 ASN 88 35.303 18.596 7.802 719 H GLU 89 H GLU 89 38.879 15.963 5.890 720 HA GLU 89 HA GLU 89 40.589 14.578 4.234 721 HB2 GLU 89 HB2 GLU 89 40.661 15.617 6.916 722 HB3 GLU 89 HB3 GLU 89 41.480 14.063 6.860 723 HG2 GLU 89 HG2 GLU 89 42.969 16.006 6.489 724 HG3 GLU 89 HG3 GLU 89 42.981 14.833 5.173 725 H THR 90 H THR 90 41.758 12.494 4.827 726 HA THR 90 HA THR 90 40.067 10.325 4.529 727 HB THR 90 HB THR 90 42.336 10.001 3.949 728 HG1 THR 90 HG1 THR 90 41.605 8.077 4.727 729 HG21 THR 90 HG21 THR 90 43.896 11.155 5.055 730 HG22 THR 90 HG22 THR 90 43.821 9.913 6.306 731 HG23 THR 90 HG23 THR 90 42.837 11.369 6.448 732 H GLU 91 H GLU 91 41.075 11.951 7.431 733 HA GLU 91 HA GLU 91 40.659 10.013 9.362 734 HB2 GLU 91 HB2 GLU 91 40.142 11.890 10.899 735 HB3 GLU 91 HB3 GLU 91 41.583 12.170 9.933 736 HG2 GLU 91 HG2 GLU 91 40.117 13.498 8.364 737 HG3 GLU 91 HG3 GLU 91 38.866 13.401 9.602 738 H VAL 92 H VAL 92 38.298 12.121 7.780 739 HA VAL 92 HA VAL 92 36.090 11.080 9.307 740 HB VAL 92 HB VAL 92 36.120 12.825 6.841 741 HG11 VAL 92 HG11 VAL 92 33.740 13.320 7.965 742 HG12 VAL 92 HG12 VAL 92 33.980 12.096 6.717 743 HG13 VAL 92 HG13 VAL 92 33.926 11.625 8.417 744 HG21 VAL 92 HG21 VAL 92 35.364 14.533 8.621 745 HG22 VAL 92 HG22 VAL 92 36.042 13.393 9.783 746 HG23 VAL 92 HG23 VAL 92 37.072 14.102 8.539 747 H VAL 93 H VAL 93 37.185 10.818 5.933 748 HA VAL 93 HA VAL 93 35.198 9.201 4.914 749 HB VAL 93 HB VAL 93 37.536 10.167 3.924 750 HG11 VAL 93 HG11 VAL 93 38.950 8.353 3.227 751 HG12 VAL 93 HG12 VAL 93 38.781 8.295 4.983 752 HG13 VAL 93 HG13 VAL 93 37.873 7.171 3.971 753 HG21 VAL 93 HG21 VAL 93 36.026 7.905 2.630 754 HG22 VAL 93 HG22 VAL 93 35.393 9.547 2.754 755 HG23 VAL 93 HG23 VAL 93 36.869 9.238 1.840 756 H GLU 94 H GLU 94 37.903 8.335 6.967 757 HA GLU 94 HA GLU 94 37.790 5.542 6.638 758 HB2 GLU 94 HB2 GLU 94 38.868 7.366 8.752 759 HB3 GLU 94 HB3 GLU 94 38.789 5.638 9.066 760 HG2 GLU 94 HG2 GLU 94 39.972 5.572 6.677 761 HG3 GLU 94 HG3 GLU 94 40.522 7.157 7.219 762 H ARG 95 H ARG 95 36.043 7.749 8.747 763 HA ARG 95 HA ARG 95 34.872 5.835 10.442 764 HB2 ARG 95 HB2 ARG 95 34.819 8.135 11.088 765 HB3 ARG 95 HB3 ARG 95 33.985 8.595 9.610 766 HG2 ARG 95 HG2 ARG 95 32.456 8.620 11.476 767 HG3 ARG 95 HG3 ARG 95 32.011 7.341 10.345 768 HD2 ARG 95 HD2 ARG 95 31.827 6.409 12.513 769 HD3 ARG 95 HD3 ARG 95 33.307 5.754 11.814 770 HE ARG 95 HE ARG 95 34.088 7.985 13.210 771 HH11 ARG 95 HH11 ARG 95 32.437 5.011 13.953 772 HH12 ARG 95 HH12 ARG 95 33.015 4.946 15.585 773 HH21 ARG 95 HH21 ARG 95 34.855 7.910 15.357 774 HH22 ARG 95 HH22 ARG 95 34.390 6.596 16.383 775 H LEU 96 H LEU 96 33.710 7.313 7.430 776 HA LEU 96 HA LEU 96 31.248 5.886 7.398 777 HB2 LEU 96 HB2 LEU 96 32.753 7.611 5.511 778 HB3 LEU 96 HB3 LEU 96 31.519 6.549 4.836 779 HG LEU 96 HG LEU 96 30.690 8.826 5.251 780 HD11 LEU 96 HD11 LEU 96 28.864 7.507 5.293 781 HD12 LEU 96 HD12 LEU 96 28.851 7.943 7.002 782 HD13 LEU 96 HD13 LEU 96 29.550 6.407 6.489 783 HD21 LEU 96 HD21 LEU 96 30.756 8.351 8.188 784 HD22 LEU 96 HD22 LEU 96 30.710 9.867 7.288 785 HD23 LEU 96 HD23 LEU 96 32.213 8.950 7.396 786 H GLU 97 H GLU 97 34.433 5.333 6.003 787 HA GLU 97 HA GLU 97 33.791 3.226 4.281 788 HB2 GLU 97 HB2 GLU 97 36.258 4.198 5.615 789 HB3 GLU 97 HB3 GLU 97 36.289 2.552 4.999 790 HG2 GLU 97 HG2 GLU 97 35.619 3.404 2.783 791 HG3 GLU 97 HG3 GLU 97 35.704 5.046 3.420 792 H TYR 98 H TYR 98 34.628 3.227 7.716 793 HA TYR 98 HA TYR 98 34.736 0.428 8.040 794 HB2 TYR 98 HB2 TYR 98 35.704 1.913 9.697 795 HB3 TYR 98 HB3 TYR 98 34.126 2.612 10.042 796 HD1 TYR 98 HD2 TYR 98 32.412 1.267 11.227 797 HD2 TYR 98 HD1 TYR 98 36.386 -0.153 10.681 798 HE1 TYR 98 HE2 TYR 98 32.047 -0.414 12.986 799 HE2 TYR 98 HE1 TYR 98 36.032 -1.838 12.437 800 HH TYR 98 HH TYR 98 32.958 -2.581 13.677 801 H THR 99 H THR 99 32.101 2.755 8.258 802 HA THR 99 HA THR 99 30.181 0.897 9.263 803 HB THR 99 HB THR 99 28.544 2.594 8.941 804 HG1 THR 99 HG1 THR 99 29.044 4.464 7.652 805 HG21 THR 99 HG21 THR 99 30.942 3.084 10.295 806 HG22 THR 99 HG22 THR 99 29.393 3.890 10.547 807 HG23 THR 99 HG23 THR 99 30.577 4.581 9.438 808 H LEU 100 H LEU 100 31.304 1.803 6.097 809 HA LEU 100 HA LEU 100 29.145 0.928 4.544 810 HB2 LEU 100 HB2 LEU 100 30.800 2.208 3.475 811 HB3 LEU 100 HB3 LEU 100 32.092 1.139 4.018 812 HG LEU 100 HG LEU 100 30.053 -0.011 2.195 813 HD11 LEU 100 HD11 LEU 100 32.275 1.421 0.879 814 HD12 LEU 100 HD12 LEU 100 30.940 2.408 1.472 815 HD13 LEU 100 HD13 LEU 100 30.632 1.109 0.320 816 HD21 LEU 100 HD21 LEU 100 31.675 -1.549 2.746 817 HD22 LEU 100 HD22 LEU 100 32.958 -0.339 2.803 818 HD23 LEU 100 HD23 LEU 100 32.325 -0.882 1.248 819 H ARG 101 H ARG 101 32.056 -0.815 5.612 820 HA ARG 101 HA ARG 101 31.320 -3.279 4.406 821 HB2 ARG 101 HB2 ARG 101 33.615 -2.326 5.471 822 HB3 ARG 101 HB3 ARG 101 33.066 -3.346 6.793 823 HG2 ARG 101 HG2 ARG 101 34.345 -4.822 5.605 824 HG3 ARG 101 HG3 ARG 101 32.755 -5.121 4.899 825 HD2 ARG 101 HD2 ARG 101 33.270 -3.998 2.940 826 HD3 ARG 101 HD3 ARG 101 34.565 -3.070 3.695 827 HE ARG 101 HE ARG 101 36.007 -4.739 3.127 828 HH11 ARG 101 HH11 ARG 101 32.774 -6.030 3.146 829 HH12 ARG 101 HH12 ARG 101 33.251 -7.584 2.547 830 HH21 ARG 101 HH21 ARG 101 36.647 -6.781 2.338 831 HH22 ARG 101 HH22 ARG 101 35.454 -8.011 2.089 832 H GLU 102 H GLU 102 30.765 -1.843 7.562 833 HA GLU 102 HA GLU 102 29.769 -4.212 8.793 834 HB2 GLU 102 HB2 GLU 102 29.820 -1.309 9.480 835 HB3 GLU 102 HB3 GLU 102 28.702 -2.351 10.349 836 HG2 GLU 102 HG2 GLU 102 31.688 -2.685 10.182 837 HG3 GLU 102 HG3 GLU 102 30.771 -2.110 11.574 838 H PHE 103 H PHE 103 28.376 -1.689 6.842 839 HA PHE 103 HA PHE 103 25.664 -2.082 7.493 840 HB2 PHE 103 HB2 PHE 103 26.994 -0.292 5.958 841 HB3 PHE 103 HB3 PHE 103 26.298 -1.315 4.707 842 HD1 PHE 103 HD2 PHE 103 23.706 -2.011 5.547 843 HD2 PHE 103 HD1 PHE 103 25.794 1.635 6.228 844 HE1 PHE 103 HE2 PHE 103 21.561 -0.828 5.775 845 HE2 PHE 103 HE1 PHE 103 23.652 2.823 6.458 846 HZ PHE 103 HZ PHE 103 21.532 1.592 6.230 847 H HIS 104 H HIS 104 27.700 -3.477 4.944 848 HA HIS 104 HA HIS 104 25.630 -5.057 3.803 849 HB2 HIS 104 HB2 HIS 104 27.473 -4.571 2.398 850 HB3 HIS 104 HB3 HIS 104 28.636 -5.128 3.599 851 HD1 HIS 104 HD1 HIS 104 29.204 -7.601 3.623 852 HD2 HIS 104 HD2 HIS 104 26.140 -6.653 0.983 853 HE1 HIS 104 HE1 HIS 104 28.836 -9.674 2.249 854 H GLU 105 H GLU 105 27.952 -5.557 6.371 855 HA GLU 105 HA GLU 105 27.672 -8.370 6.569 856 HB2 GLU 105 HB2 GLU 105 28.950 -6.227 8.095 857 HB3 GLU 105 HB3 GLU 105 28.337 -7.526 9.109 858 HG2 GLU 105 HG2 GLU 105 30.110 -7.989 6.729 859 HG3 GLU 105 HG3 GLU 105 30.720 -7.752 8.365 860 H LYS 106 H LYS 106 26.160 -5.681 8.332 861 HA LYS 106 HA LYS 106 24.545 -7.313 9.990 862 HB2 LYS 106 HB2 LYS 106 23.678 -5.353 10.824 863 HB3 LYS 106 HB3 LYS 106 25.188 -4.762 10.143 864 HG2 LYS 106 HG2 LYS 106 23.798 -4.286 8.030 865 HG3 LYS 106 HG3 LYS 106 22.402 -4.454 9.096 866 HD2 LYS 106 HD2 LYS 106 24.708 -2.571 9.582 867 HD3 LYS 106 HD3 LYS 106 23.180 -2.107 8.828 868 HE2 LYS 106 HE2 LYS 106 21.967 -2.668 10.830 869 HE3 LYS 106 HE3 LYS 106 23.424 -3.320 11.578 870 HZ1 LYS 106 HZ1 LYS 106 23.210 -1.206 12.481 871 HZ2 LYS 106 HZ2 LYS 106 22.749 -0.501 11.015 872 HZ3 LYS 106 HZ3 LYS 106 24.354 -0.981 11.255 873 H LEU 107 H LEU 107 24.112 -5.951 6.793 874 HA LEU 107 HA LEU 107 21.317 -6.468 6.609 875 HB2 LEU 107 HB2 LEU 107 23.040 -4.995 5.163 876 HB3 LEU 107 HB3 LEU 107 22.936 -6.425 4.139 877 HG LEU 107 HG LEU 107 20.291 -5.798 4.712 878 HD11 LEU 107 HD11 LEU 107 21.325 -3.594 5.548 879 HD12 LEU 107 HD12 LEU 107 19.964 -3.516 4.429 880 HD13 LEU 107 HD13 LEU 107 21.606 -3.253 3.840 881 HD21 LEU 107 HD21 LEU 107 22.030 -5.207 2.324 882 HD22 LEU 107 HD22 LEU 107 20.272 -5.058 2.324 883 HD23 LEU 107 HD23 LEU 107 21.025 -6.631 2.598 884 H ARG 108 H ARG 108 24.217 -8.293 5.868 885 HA ARG 108 HA ARG 108 23.217 -10.298 4.256 886 HB2 ARG 108 HB2 ARG 108 25.446 -10.086 6.198 887 HB3 ARG 108 HB3 ARG 108 24.955 -11.714 5.750 888 HG2 ARG 108 HG2 ARG 108 25.380 -9.761 3.562 889 HG3 ARG 108 HG3 ARG 108 26.801 -10.373 4.411 890 HD2 ARG 108 HD2 ARG 108 24.666 -12.144 3.240 891 HD3 ARG 108 HD3 ARG 108 26.124 -11.671 2.369 892 HE ARG 108 HE ARG 108 25.912 -13.669 4.387 893 HH11 ARG 108 HH11 ARG 108 28.049 -11.272 3.043 894 HH12 ARG 108 HH12 ARG 108 29.492 -12.095 3.534 895 HH21 ARG 108 HH21 ARG 108 27.805 -14.762 5.039 896 HH22 ARG 108 HH22 ARG 108 29.352 -14.080 4.669 897 H ASP 109 H ASP 109 23.113 -10.049 7.786 898 HA ASP 109 HA ASP 109 21.984 -12.575 8.288 899 HB2 ASP 109 HB2 ASP 109 23.018 -10.855 9.933 900 HB3 ASP 109 HB3 ASP 109 21.397 -10.168 9.990 901 H LEU 110 H LEU 110 20.536 -9.455 7.530 902 HA LEU 110 HA LEU 110 17.851 -10.230 8.029 903 HB2 LEU 110 HB2 LEU 110 18.396 -7.912 8.018 904 HB3 LEU 110 HB3 LEU 110 19.061 -8.016 6.390 905 HG LEU 110 HG LEU 110 16.552 -8.731 5.843 906 HD11 LEU 110 HD11 LEU 110 16.253 -8.219 8.481 907 HD12 LEU 110 HD12 LEU 110 14.964 -8.071 7.287 908 HD13 LEU 110 HD13 LEU 110 15.866 -6.642 7.791 909 HD21 LEU 110 HD21 LEU 110 18.150 -6.462 5.518 910 HD22 LEU 110 HD22 LEU 110 16.595 -5.864 6.096 911 HD23 LEU 110 HD23 LEU 110 16.671 -6.865 4.645 912 H LEU 111 H LEU 111 19.723 -9.900 5.018 913 HA LEU 111 HA LEU 111 17.689 -10.815 3.300 914 HB2 LEU 111 HB2 LEU 111 20.685 -10.765 3.033 915 HB3 LEU 111 HB3 LEU 111 19.617 -11.297 1.736 916 HG LEU 111 HG LEU 111 19.756 -8.536 2.943 917 HD11 LEU 111 HD11 LEU 111 20.375 -9.477 0.149 918 HD12 LEU 111 HD12 LEU 111 21.588 -9.180 1.394 919 HD13 LEU 111 HD13 LEU 111 20.588 -7.853 0.803 920 HD21 LEU 111 HD21 LEU 111 18.223 -8.363 0.684 921 HD22 LEU 111 HD22 LEU 111 17.607 -8.392 2.337 922 HD23 LEU 111 HD23 LEU 111 17.676 -9.882 1.394 923 H ILE 112 H ILE 112 20.256 -12.499 5.038 924 HA ILE 112 HA ILE 112 19.899 -15.026 3.836 925 HB ILE 112 HB ILE 112 21.074 -14.183 6.473 926 HG12 ILE 112 HG12 ILE 112 22.499 -15.597 4.247 927 HG13 ILE 112 HG13 ILE 112 22.156 -13.877 4.101 928 HG21 ILE 112 HG21 ILE 112 20.474 -16.267 7.154 929 HG22 ILE 112 HG22 ILE 112 20.400 -16.904 5.512 930 HG23 ILE 112 HG23 ILE 112 21.961 -16.683 6.302 931 HD11 ILE 112 HD11 ILE 112 24.110 -13.599 5.129 932 HD12 ILE 112 HD12 ILE 112 23.245 -14.044 6.600 933 HD13 ILE 112 HD13 ILE 112 24.149 -15.265 5.706 934 H SER 113 H SER 113 18.274 -13.396 6.466 935 HA SER 113 HA SER 113 16.943 -15.712 7.479 936 HB2 SER 113 HB2 SER 113 17.226 -13.857 8.968 937 HB3 SER 113 HB3 SER 113 16.444 -12.752 7.838 938 HG SER 113 HG SER 113 15.162 -13.634 9.684 939 H MET 114 H MET 114 16.370 -13.507 4.886 940 HA MET 114 HA MET 114 13.583 -14.315 4.605 941 HB2 MET 114 HB2 MET 114 15.319 -12.274 3.246 942 HB3 MET 114 HB3 MET 114 13.779 -12.755 2.545 943 HG2 MET 114 HG2 MET 114 12.906 -12.220 4.975 944 HG3 MET 114 HG3 MET 114 14.346 -11.205 5.009 945 HE1 MET 114 HE1 MET 114 14.107 -8.827 4.583 946 HE2 MET 114 HE2 MET 114 14.822 -9.326 3.050 947 HE3 MET 114 HE3 MET 114 13.483 -8.178 3.067 948 H GLU 115 H GLU 115 16.511 -15.561 3.768 949 HA GLU 115 HA GLU 115 17.175 -17.204 2.341 950 HB2 GLU 115 HB2 GLU 115 14.290 -17.481 1.508 951 HB3 GLU 115 HB3 GLU 115 15.552 -18.704 1.453 952 HG2 GLU 115 HG2 GLU 115 15.607 -18.322 4.043 953 HG3 GLU 115 HG3 GLU 115 13.978 -17.707 3.771 954 H LEU 116 H LEU 116 17.474 -14.649 1.430 955 HA LEU 116 HA LEU 116 16.634 -14.735 -1.386 956 HB2 LEU 116 HB2 LEU 116 17.318 -12.539 0.504 957 HB3 LEU 116 HB3 LEU 116 17.622 -12.294 -1.215 958 HG LEU 116 HG LEU 116 15.448 -11.379 -0.365 959 HD11 LEU 116 HD11 LEU 116 15.430 -11.547 -2.643 960 HD12 LEU 116 HD12 LEU 116 14.118 -12.656 -2.243 961 HD13 LEU 116 HD13 LEU 116 15.718 -13.288 -2.630 962 HD21 LEU 116 HD21 LEU 116 13.702 -12.756 0.302 963 HD22 LEU 116 HD22 LEU 116 15.100 -13.467 1.110 964 HD23 LEU 116 HD23 LEU 116 14.459 -14.206 -0.358 965 H ALA 117 H ALA 117 18.313 -13.607 -2.870 966 HA ALA 117 HA ALA 117 20.842 -15.015 -2.473 967 HB1 ALA 117 HB1 ALA 117 19.234 -14.712 -4.679 968 HB2 ALA 117 HB2 ALA 117 20.538 -13.562 -4.979 969 HB3 ALA 117 HB3 ALA 117 20.910 -15.261 -4.691 970 H LEU 118 H LEU 118 22.871 -13.979 -2.758 971 HA LEU 118 HA LEU 118 22.808 -11.061 -2.361 972 HB2 LEU 118 HB2 LEU 118 24.159 -13.194 -0.838 973 HB3 LEU 118 HB3 LEU 118 25.127 -11.760 -1.172 974 HG LEU 118 HG LEU 118 23.973 -11.772 1.049 975 HD11 LEU 118 HD11 LEU 118 24.662 -9.718 -0.357 976 HD12 LEU 118 HD12 LEU 118 23.590 -9.487 1.023 977 HD13 LEU 118 HD13 LEU 118 22.929 -9.512 -0.611 978 HD21 LEU 118 HD21 LEU 118 21.688 -11.688 1.272 979 HD22 LEU 118 HD22 LEU 118 21.850 -12.790 -0.096 980 HD23 LEU 118 HD23 LEU 118 21.439 -11.097 -0.371 981 H GLU 119 H GLU 119 23.605 -10.110 -4.111 982 HA GLU 119 HA GLU 119 26.011 -11.267 -5.354 983 HB2 GLU 119 HB2 GLU 119 23.554 -10.136 -6.674 984 HB3 GLU 119 HB3 GLU 119 25.095 -10.213 -7.515 985 HG2 GLU 119 HG2 GLU 119 24.330 -12.204 -8.197 986 HG3 GLU 119 HG3 GLU 119 24.919 -12.746 -6.626 987 HA PRO 120 HA PRO 120 27.929 -7.344 -4.933 988 HB2 PRO 120 HB2 PRO 120 29.451 -7.228 -7.177 989 HB3 PRO 120 HB3 PRO 120 29.823 -8.296 -5.819 990 HG2 PRO 120 HG2 PRO 120 28.453 -8.927 -8.405 991 HG3 PRO 120 HG3 PRO 120 29.688 -9.857 -7.537 992 HD2 PRO 120 HD2 PRO 120 27.054 -10.475 -7.428 993 HD3 PRO 120 HD3 PRO 120 28.158 -10.755 -6.066 994 H SER 121 H SER 121 28.317 -5.234 -6.065 995 HA SER 121 HA SER 121 25.877 -4.353 -7.284 996 HB2 SER 121 HB2 SER 121 28.471 -2.880 -6.763 997 HB3 SER 121 HB3 SER 121 26.971 -2.125 -7.299 998 HG SER 121 HG SER 121 27.602 -2.340 -4.885 999 H ASP 122 H ASP 122 25.519 -3.672 -9.362 1000 HA ASP 122 HA ASP 122 26.851 -4.941 -11.447 1001 HB2 ASP 122 HB2 ASP 122 24.952 -2.626 -11.315 1002 HB3 ASP 122 HB3 ASP 122 25.704 -3.049 -12.850 1003 H ASP 123 H ASP 123 27.564 -1.970 -9.823 1004 HA ASP 123 HA ASP 123 29.481 -1.171 -11.881 1005 HB2 ASP 123 HB2 ASP 123 29.772 0.850 -10.366 1006 HB3 ASP 123 HB3 ASP 123 28.184 0.659 -11.105 1007 H PHE 124 H PHE 124 29.823 -3.539 -10.113 1008 HA PHE 124 HA PHE 124 32.282 -2.725 -8.713 1009 HB2 PHE 124 HB2 PHE 124 30.501 -3.737 -7.293 1010 HB3 PHE 124 HB3 PHE 124 30.623 -5.210 -8.249 1011 HD1 PHE 124 HD2 PHE 124 32.858 -2.887 -6.368 1012 HD2 PHE 124 HD1 PHE 124 31.908 -6.905 -7.403 1013 HE1 PHE 124 HE2 PHE 124 34.658 -3.688 -4.895 1014 HE2 PHE 124 HE1 PHE 124 33.706 -7.712 -5.930 1015 HZ PHE 124 HZ PHE 124 35.085 -6.103 -4.675 1016 H ASN 125 H ASN 125 33.996 -3.080 -9.966 1017 HA ASN 125 HA ASN 125 34.112 -5.603 -11.484 1018 HB2 ASN 125 HB2 ASN 125 35.689 -3.134 -12.184 1019 HB3 ASN 125 HB3 ASN 125 35.342 -4.534 -13.194 1020 HD21 ASN 125 HD21 ASN 125 34.207 -1.511 -12.006 1021 HD22 ASN 125 HD22 ASN 125 32.776 -1.423 -12.971 1022 H ASP 126 H ASP 126 36.425 -3.137 -10.348 1023 HA ASP 126 HA ASP 126 37.786 -5.044 -8.673 1024 HB2 ASP 126 HB2 ASP 126 38.581 -5.270 -11.187 1025 HB3 ASP 126 HB3 ASP 126 39.536 -3.848 -10.778 1026 H GLU 127 H GLU 127 39.972 -3.947 -7.915 1027 HA GLU 127 HA GLU 127 40.887 -2.283 -6.661 1028 HB2 GLU 127 HB2 GLU 127 40.822 -1.291 -9.085 1029 HB3 GLU 127 HB3 GLU 127 39.583 -0.238 -8.417 1030 HG2 GLU 127 HG2 GLU 127 41.070 0.753 -6.911 1031 HG3 GLU 127 HG3 GLU 127 42.262 -0.529 -7.111 1032 HA PRO 128 HA PRO 128 36.765 -1.566 -4.596 1033 HB2 PRO 128 HB2 PRO 128 37.402 -2.875 -2.304 1034 HB3 PRO 128 HB3 PRO 128 36.712 -3.687 -3.714 1035 HG2 PRO 128 HG2 PRO 128 39.567 -3.531 -2.827 1036 HG3 PRO 128 HG3 PRO 128 38.663 -4.924 -3.448 1037 HD2 PRO 128 HD2 PRO 128 40.364 -3.487 -4.989 1038 HD3 PRO 128 HD3 PRO 128 38.908 -4.264 -5.643 1039 H VAL 129 H VAL 129 36.338 -0.255 -2.744 1040 HA VAL 129 HA VAL 129 38.108 1.859 -2.343 1041 HB VAL 129 HB VAL 129 35.742 2.109 -1.888 1042 HG11 VAL 129 HG11 VAL 129 36.012 -0.319 -0.542 1043 HG12 VAL 129 HG12 VAL 129 35.610 0.861 0.707 1044 HG13 VAL 129 HG13 VAL 129 34.553 0.661 -0.691 1045 HG21 VAL 129 HG21 VAL 129 37.484 3.485 -0.664 1046 HG22 VAL 129 HG22 VAL 129 35.874 3.444 0.055 1047 HG23 VAL 129 HG23 VAL 129 37.170 2.460 0.736 1048 H LYS 130 H LYS 130 39.902 2.051 -1.186 1049 HA LYS 130 HA LYS 130 40.962 -0.056 0.359 1050 HB2 LYS 130 HB2 LYS 130 41.725 2.762 -0.212 1051 HB3 LYS 130 HB3 LYS 130 42.475 1.987 1.177 1052 HG2 LYS 130 HG2 LYS 130 43.995 1.462 -0.429 1053 HG3 LYS 130 HG3 LYS 130 42.925 0.065 -0.567 1054 HD2 LYS 130 HD2 LYS 130 41.677 1.547 -2.314 1055 HD3 LYS 130 HD3 LYS 130 43.204 2.430 -2.376 1056 HE2 LYS 130 HE2 LYS 130 44.373 0.330 -2.898 1057 HE3 LYS 130 HE3 LYS 130 42.831 -0.523 -2.873 1058 HZ1 LYS 130 HZ1 LYS 130 43.232 1.788 -4.659 1059 HZ2 LYS 130 HZ2 LYS 130 42.132 0.511 -4.803 1060 HZ3 LYS 130 HZ3 LYS 130 43.775 0.251 -5.113 1061 H LEU 131 H LEU 131 39.734 -0.683 2.074 1062 HA LEU 131 HA LEU 131 38.352 1.006 3.827 1063 HB2 LEU 131 HB2 LEU 131 39.273 -1.815 3.889 1064 HB3 LEU 131 HB3 LEU 131 38.768 -1.085 5.411 1065 HG LEU 131 HG LEU 131 36.974 -2.375 4.329 1066 HD11 LEU 131 HD11 LEU 131 36.786 0.027 5.569 1067 HD12 LEU 131 HD12 LEU 131 35.407 -0.967 5.099 1068 HD13 LEU 131 HD13 LEU 131 35.936 0.356 4.059 1069 HD21 LEU 131 HD21 LEU 131 36.763 -0.273 2.218 1070 HD22 LEU 131 HD22 LEU 131 36.124 -1.917 2.236 1071 HD23 LEU 131 HD23 LEU 131 37.849 -1.643 1.983 1072 H SER 132 H SER 132 41.656 -0.196 3.876 1073 HA SER 132 HA SER 132 42.154 1.220 6.395 1074 HB2 SER 132 HB2 SER 132 43.732 -0.863 4.882 1075 HB3 SER 132 HB3 SER 132 44.398 0.022 6.255 1076 HG SER 132 HG SER 132 43.449 -1.441 7.416 1077 H ALA 133 H ALA 133 41.803 3.182 4.891 1078 HA ALA 133 HA ALA 133 44.462 4.115 4.089 1079 HB1 ALA 133 HB1 ALA 133 42.192 3.690 2.307 1080 HB2 ALA 133 HB2 ALA 133 42.864 5.318 2.214 1081 HB3 ALA 133 HB3 ALA 133 43.901 3.919 1.935 Start of MODEL 4 1 H MET 1 H MET 1 0.654 -0.283 -3.308 2 HA MET 1 HA MET 1 2.604 0.802 -1.707 3 HB2 MET 1 HB2 MET 1 0.353 -1.066 -1.279 4 HB3 MET 1 HB3 MET 1 1.584 -1.055 -0.023 5 HG2 MET 1 HG2 MET 1 -0.002 0.498 0.684 6 HG3 MET 1 HG3 MET 1 1.304 1.469 0.010 7 HE1 MET 1 HE1 MET 1 -2.960 0.983 -1.440 8 HE2 MET 1 HE2 MET 1 -2.087 -0.002 -0.266 9 HE3 MET 1 HE3 MET 1 -2.524 1.661 0.129 10 H THR 2 H THR 2 2.207 -2.626 -2.564 11 HA THR 2 HA THR 2 4.574 -3.433 -1.166 12 HB THR 2 HB THR 2 4.234 -5.620 -2.266 13 HG1 THR 2 HG1 THR 2 3.186 -5.600 -4.096 14 HG21 THR 2 HG21 THR 2 2.268 -6.210 -1.100 15 HG22 THR 2 HG22 THR 2 1.579 -4.597 -1.284 16 HG23 THR 2 HG23 THR 2 2.948 -4.854 -0.203 17 H LEU 3 H LEU 3 6.426 -4.466 -2.214 18 HA LEU 3 HA LEU 3 7.612 -2.795 -4.145 19 HB2 LEU 3 HB2 LEU 3 8.517 -5.598 -3.584 20 HB3 LEU 3 HB3 LEU 3 9.489 -4.194 -4.022 21 HG LEU 3 HG LEU 3 8.169 -4.727 -1.363 22 HD11 LEU 3 HD11 LEU 3 10.063 -5.820 -0.962 23 HD12 LEU 3 HD12 LEU 3 10.877 -4.258 -1.033 24 HD13 LEU 3 HD13 LEU 3 10.786 -5.270 -2.474 25 HD21 LEU 3 HD21 LEU 3 9.470 -2.285 -2.497 26 HD22 LEU 3 HD22 LEU 3 9.579 -2.631 -0.771 27 HD23 LEU 3 HD23 LEU 3 8.000 -2.427 -1.532 28 HA PRO 4 HA PRO 4 6.308 -4.446 -7.998 29 HB2 PRO 4 HB2 PRO 4 8.531 -4.067 -9.510 30 HB3 PRO 4 HB3 PRO 4 7.485 -2.740 -8.991 31 HG2 PRO 4 HG2 PRO 4 10.079 -3.676 -7.825 32 HG3 PRO 4 HG3 PRO 4 9.517 -2.020 -8.120 33 HD2 PRO 4 HD2 PRO 4 9.432 -3.173 -5.671 34 HD3 PRO 4 HD3 PRO 4 8.230 -1.982 -6.208 35 H SER 5 H SER 5 9.021 -5.782 -6.342 36 HA SER 5 HA SER 5 9.458 -7.947 -8.193 37 HB2 SER 5 HB2 SER 5 11.369 -8.223 -7.046 38 HB3 SER 5 HB3 SER 5 10.919 -6.800 -6.107 39 HG SER 5 HG SER 5 10.375 -8.036 -4.471 40 H GLY 6 H GLY 6 7.308 -7.299 -5.621 41 HA2 GLY 6 HA2 GLY 6 5.379 -8.754 -5.393 42 HA3 GLY 6 HA3 GLY 6 6.451 -10.122 -5.656 43 H HIS 7 H HIS 7 7.963 -7.878 -3.701 44 HA HIS 7 HA HIS 7 7.440 -9.523 -1.345 45 HB2 HIS 7 HB2 HIS 7 9.685 -7.921 -2.321 46 HB3 HIS 7 HB3 HIS 7 9.348 -7.667 -0.612 47 HD1 HIS 7 HD1 HIS 7 9.099 -10.939 -2.510 48 HD2 HIS 7 HD2 HIS 7 11.318 -9.169 0.523 49 HE1 HIS 7 HE1 HIS 7 10.559 -12.768 -1.590 50 HA PRO 8 HA PRO 8 4.879 -6.555 0.637 51 HB2 PRO 8 HB2 PRO 8 5.435 -7.099 3.238 52 HB3 PRO 8 HB3 PRO 8 4.465 -8.169 2.219 53 HG2 PRO 8 HG2 PRO 8 7.358 -8.369 2.961 54 HG3 PRO 8 HG3 PRO 8 6.131 -9.647 2.889 55 HD2 PRO 8 HD2 PRO 8 7.947 -9.258 0.918 56 HD3 PRO 8 HD3 PRO 8 6.308 -9.861 0.601 57 H LYS 9 H LYS 9 5.148 -4.434 0.867 58 HA LYS 9 HA LYS 9 7.703 -3.256 1.273 59 HB2 LYS 9 HB2 LYS 9 6.614 -1.164 1.036 60 HB3 LYS 9 HB3 LYS 9 5.771 -2.271 -0.039 61 HG2 LYS 9 HG2 LYS 9 3.966 -1.311 0.916 62 HG3 LYS 9 HG3 LYS 9 4.245 -2.565 2.126 63 HD2 LYS 9 HD2 LYS 9 5.842 -0.667 3.116 64 HD3 LYS 9 HD3 LYS 9 4.677 0.363 2.281 65 HE2 LYS 9 HE2 LYS 9 3.598 -1.836 3.950 66 HE3 LYS 9 HE3 LYS 9 4.332 -0.472 4.793 67 HZ1 LYS 9 HZ1 LYS 9 1.830 -0.625 3.398 68 HZ2 LYS 9 HZ2 LYS 9 2.756 0.709 2.926 69 HZ3 LYS 9 HZ3 LYS 9 2.354 0.493 4.555 70 H SER 10 H SER 10 4.981 -3.965 3.357 71 HA SER 10 HA SER 10 5.792 -2.365 5.553 72 HB2 SER 10 HB2 SER 10 4.282 -4.045 6.837 73 HB3 SER 10 HB3 SER 10 3.541 -3.004 5.621 74 HG SER 10 HG SER 10 2.820 -5.037 5.196 75 H ARG 11 H ARG 11 6.221 -5.810 4.799 76 HA ARG 11 HA ARG 11 7.610 -6.495 7.144 77 HB2 ARG 11 HB2 ARG 11 6.626 -7.909 5.072 78 HB3 ARG 11 HB3 ARG 11 8.331 -7.909 4.641 79 HG2 ARG 11 HG2 ARG 11 8.384 -9.753 5.916 80 HG3 ARG 11 HG3 ARG 11 8.497 -8.592 7.241 81 HD2 ARG 11 HD2 ARG 11 6.800 -10.287 7.693 82 HD3 ARG 11 HD3 ARG 11 6.078 -8.686 7.539 83 HE ARG 11 HE ARG 11 6.075 -10.195 5.093 84 HH11 ARG 11 HH11 ARG 11 4.378 -9.555 8.065 85 HH12 ARG 11 HH12 ARG 11 2.837 -10.045 7.443 86 HH21 ARG 11 HH21 ARG 11 4.051 -10.842 4.263 87 HH22 ARG 11 HH22 ARG 11 2.652 -10.778 5.280 88 H LEU 12 H LEU 12 8.739 -5.341 3.998 89 HA LEU 12 HA LEU 12 11.487 -5.659 4.418 90 HB2 LEU 12 HB2 LEU 12 9.768 -4.110 2.601 91 HB3 LEU 12 HB3 LEU 12 11.390 -3.462 2.837 92 HG LEU 12 HG LEU 12 11.294 -4.862 0.855 93 HD11 LEU 12 HD11 LEU 12 12.904 -6.759 2.023 94 HD12 LEU 12 HD12 LEU 12 13.007 -5.402 3.144 95 HD13 LEU 12 HD13 LEU 12 13.421 -5.175 1.445 96 HD21 LEU 12 HD21 LEU 12 10.061 -6.791 2.755 97 HD22 LEU 12 HD22 LEU 12 11.059 -7.422 1.444 98 HD23 LEU 12 HD23 LEU 12 9.646 -6.430 1.079 99 H ILE 13 H ILE 13 9.406 -2.831 4.985 100 HA ILE 13 HA ILE 13 11.424 -1.149 5.989 101 HB ILE 13 HB ILE 13 8.451 -1.133 6.507 102 HG12 ILE 13 HG12 ILE 13 9.173 -0.783 4.155 103 HG13 ILE 13 HG13 ILE 13 8.391 0.635 4.845 104 HG21 ILE 13 HG21 ILE 13 10.631 0.561 7.548 105 HG22 ILE 13 HG22 ILE 13 9.198 1.404 6.962 106 HG23 ILE 13 HG23 ILE 13 9.048 0.194 8.235 107 HD11 ILE 13 HD11 ILE 13 11.359 0.241 4.550 108 HD12 ILE 13 HD12 ILE 13 10.335 1.232 3.510 109 HD13 ILE 13 HD13 ILE 13 10.559 1.670 5.203 110 H LYS 14 H LYS 14 9.076 -3.224 7.670 111 HA LYS 14 HA LYS 14 9.899 -2.612 10.284 112 HB2 LYS 14 HB2 LYS 14 8.444 -4.925 9.045 113 HB3 LYS 14 HB3 LYS 14 8.914 -4.986 10.739 114 HG2 LYS 14 HG2 LYS 14 7.536 -2.527 9.911 115 HG3 LYS 14 HG3 LYS 14 6.569 -4.002 9.841 116 HD2 LYS 14 HD2 LYS 14 6.183 -3.429 12.011 117 HD3 LYS 14 HD3 LYS 14 7.661 -4.367 12.237 118 HE2 LYS 14 HE2 LYS 14 7.946 -2.369 13.470 119 HE3 LYS 14 HE3 LYS 14 8.927 -2.195 12.015 120 HZ1 LYS 14 HZ1 LYS 14 7.802 -0.383 11.479 121 HZ2 LYS 14 HZ2 LYS 14 6.942 -0.488 12.932 122 HZ3 LYS 14 HZ3 LYS 14 6.328 -1.213 11.532 123 H LYS 15 H LYS 15 11.080 -4.941 7.938 124 HA LYS 15 HA LYS 15 12.780 -6.339 9.757 125 HB2 LYS 15 HB2 LYS 15 12.442 -6.263 6.786 126 HB3 LYS 15 HB3 LYS 15 13.887 -7.005 7.460 127 HG2 LYS 15 HG2 LYS 15 12.758 -8.781 8.292 128 HG3 LYS 15 HG3 LYS 15 11.297 -7.845 8.613 129 HD2 LYS 15 HD2 LYS 15 10.401 -8.385 6.636 130 HD3 LYS 15 HD3 LYS 15 11.902 -8.041 5.773 131 HE2 LYS 15 HE2 LYS 15 11.349 -10.361 5.479 132 HE3 LYS 15 HE3 LYS 15 12.772 -10.242 6.512 133 HZ1 LYS 15 HZ1 LYS 15 11.286 -10.509 8.443 134 HZ2 LYS 15 HZ2 LYS 15 11.276 -11.854 7.418 135 HZ3 LYS 15 HZ3 LYS 15 9.985 -10.761 7.391 136 H PHE 16 H PHE 16 13.385 -3.905 7.230 137 HA PHE 16 HA PHE 16 16.141 -3.667 7.620 138 HB2 PHE 16 HB2 PHE 16 14.063 -1.767 6.553 139 HB3 PHE 16 HB3 PHE 16 15.760 -1.308 6.658 140 HD1 PHE 16 HD2 PHE 16 17.186 -3.678 5.862 141 HD2 PHE 16 HD1 PHE 16 13.545 -2.085 4.337 142 HE1 PHE 16 HE2 PHE 16 17.615 -4.773 3.701 143 HE2 PHE 16 HE1 PHE 16 13.968 -3.179 2.174 144 HZ PHE 16 HZ PHE 16 16.006 -4.524 1.854 145 H THR 17 H THR 17 13.453 -2.325 9.382 146 HA THR 17 HA THR 17 14.734 -0.233 10.725 147 HB THR 17 HB THR 17 12.479 -1.998 11.699 148 HG1 THR 17 HG1 THR 17 12.318 0.621 10.610 149 HG21 THR 17 HG21 THR 17 11.949 -0.003 13.139 150 HG22 THR 17 HG22 THR 17 13.541 0.633 12.723 151 HG23 THR 17 HG23 THR 17 13.401 -0.890 13.601 152 H ALA 18 H ALA 18 15.017 -3.642 11.093 153 HA ALA 18 HA ALA 18 16.031 -3.568 13.789 154 HB1 ALA 18 HB1 ALA 18 16.018 -5.844 13.722 155 HB2 ALA 18 HB2 ALA 18 14.855 -5.517 12.436 156 HB3 ALA 18 HB3 ALA 18 16.527 -5.909 12.034 157 H LEU 19 H LEU 19 17.299 -2.749 10.817 158 HA LEU 19 HA LEU 19 20.043 -3.455 11.593 159 HB2 LEU 19 HB2 LEU 19 19.030 -2.459 8.936 160 HB3 LEU 19 HB3 LEU 19 20.657 -3.035 9.291 161 HG LEU 19 HG LEU 19 18.125 -4.663 9.159 162 HD11 LEU 19 HD11 LEU 19 20.514 -4.293 7.428 163 HD12 LEU 19 HD12 LEU 19 18.818 -4.498 6.990 164 HD13 LEU 19 HD13 LEU 19 19.769 -5.889 7.508 165 HD21 LEU 19 HD21 LEU 19 19.864 -6.561 9.513 166 HD22 LEU 19 HD22 LEU 19 19.218 -5.700 10.910 167 HD23 LEU 19 HD23 LEU 19 20.819 -5.297 10.288 168 H GLY 20 H GLY 20 18.006 -1.013 12.096 169 HA2 GLY 20 HA2 GLY 20 19.828 0.846 12.959 170 HA3 GLY 20 HA3 GLY 20 19.562 1.247 11.269 171 HA PRO 21 HA PRO 21 16.420 3.640 13.577 172 HB2 PRO 21 HB2 PRO 21 16.439 5.730 11.844 173 HB3 PRO 21 HB3 PRO 21 17.607 5.562 13.160 174 HG2 PRO 21 HG2 PRO 21 17.916 4.898 10.258 175 HG3 PRO 21 HG3 PRO 21 19.056 5.707 11.347 176 HD2 PRO 21 HD2 PRO 21 19.276 3.090 10.690 177 HD3 PRO 21 HD3 PRO 21 19.775 3.722 12.272 178 H TYR 22 H TYR 22 14.329 4.545 12.812 179 HA TYR 22 HA TYR 22 12.938 2.693 11.226 180 HB2 TYR 22 HB2 TYR 22 12.155 5.496 12.050 181 HB3 TYR 22 HB3 TYR 22 11.056 4.307 11.359 182 HD1 TYR 22 HD2 TYR 22 10.441 2.291 12.651 183 HD2 TYR 22 HD1 TYR 22 12.817 5.386 14.348 184 HE1 TYR 22 HE2 TYR 22 9.974 1.409 14.899 185 HE2 TYR 22 HE1 TYR 22 12.358 4.512 16.601 186 HH TYR 22 HH TYR 22 9.931 2.332 17.267 187 H ILE 23 H ILE 23 12.790 2.484 9.099 188 HA ILE 23 HA ILE 23 14.053 4.323 7.324 189 HB ILE 23 HB ILE 23 12.293 1.934 6.770 190 HG12 ILE 23 HG12 ILE 23 14.644 1.121 5.938 191 HG13 ILE 23 HG13 ILE 23 15.247 2.388 7.000 192 HG21 ILE 23 HG21 ILE 23 12.128 3.418 4.893 193 HG22 ILE 23 HG22 ILE 23 13.875 3.656 4.871 194 HG23 ILE 23 HG23 ILE 23 13.195 2.083 4.458 195 HD11 ILE 23 HD11 ILE 23 14.363 1.349 8.908 196 HD12 ILE 23 HD12 ILE 23 13.354 0.266 7.949 197 HD13 ILE 23 HD13 ILE 23 15.105 0.058 7.963 198 H ARG 24 H ARG 24 13.196 5.841 5.992 199 HA ARG 24 HA ARG 24 10.519 6.753 6.589 200 HB2 ARG 24 HB2 ARG 24 12.618 7.859 4.713 201 HB3 ARG 24 HB3 ARG 24 11.095 8.648 5.103 202 HG2 ARG 24 HG2 ARG 24 12.946 7.895 7.313 203 HG3 ARG 24 HG3 ARG 24 13.301 9.317 6.329 204 HD2 ARG 24 HD2 ARG 24 10.540 9.007 7.379 205 HD3 ARG 24 HD3 ARG 24 11.809 9.448 8.521 206 HE ARG 24 HE ARG 24 12.182 11.197 6.499 207 HH11 ARG 24 HH11 ARG 24 9.390 10.276 8.364 208 HH12 ARG 24 HH12 ARG 24 8.629 11.827 8.232 209 HH21 ARG 24 HH21 ARG 24 11.190 13.242 6.318 210 HH22 ARG 24 HH22 ARG 24 9.653 13.513 7.067 211 H GLU 25 H GLU 25 8.954 5.550 5.669 212 HA GLU 25 HA GLU 25 9.075 4.144 3.284 213 HB2 GLU 25 HB2 GLU 25 7.190 4.508 5.246 214 HB3 GLU 25 HB3 GLU 25 6.434 5.284 3.861 215 HG2 GLU 25 HG2 GLU 25 7.621 2.586 3.496 216 HG3 GLU 25 HG3 GLU 25 6.094 2.728 4.365 217 H GLY 26 H GLY 26 9.453 4.870 1.302 218 HA2 GLY 26 HA2 GLY 26 9.414 7.514 0.471 219 HA3 GLY 26 HA3 GLY 26 9.318 6.133 -0.611 220 H GLN 27 H GLN 27 8.053 8.244 -1.505 221 HA GLN 27 HA GLN 27 5.460 8.766 -0.627 222 HB2 GLN 27 HB2 GLN 27 5.048 9.565 -2.952 223 HB3 GLN 27 HB3 GLN 27 6.512 10.217 -2.228 224 HG2 GLN 27 HG2 GLN 27 7.895 9.035 -3.619 225 HG3 GLN 27 HG3 GLN 27 6.705 7.764 -3.900 226 HE21 GLN 27 HE21 GLN 27 8.087 8.825 -5.989 227 HE22 GLN 27 HE22 GLN 27 7.033 9.773 -6.976 228 H CYS 28 H CYS 28 3.549 8.319 -2.319 229 HA CYS 28 HA CYS 28 2.711 5.721 -1.927 230 HB2 CYS 28 HB2 CYS 28 1.328 7.736 -2.647 231 HB3 CYS 28 HB3 CYS 28 1.855 7.390 -4.290 232 HG CYS 28 HG CYS 28 -0.081 5.790 -4.774 233 H GLU 29 H GLU 29 4.266 7.106 -4.801 234 HA GLU 29 HA GLU 29 4.446 4.445 -5.995 235 HB2 GLU 29 HB2 GLU 29 5.046 7.200 -7.072 236 HB3 GLU 29 HB3 GLU 29 5.374 5.723 -7.966 237 HG2 GLU 29 HG2 GLU 29 3.053 5.171 -8.044 238 HG3 GLU 29 HG3 GLU 29 2.651 6.493 -6.950 239 H ASP 30 H ASP 30 5.953 4.055 -4.040 240 HA ASP 30 HA ASP 30 8.617 5.117 -4.261 241 HB2 ASP 30 HB2 ASP 30 9.143 3.779 -2.358 242 HB3 ASP 30 HB3 ASP 30 7.517 4.406 -2.099 243 H ASN 31 H ASN 31 10.467 4.060 -4.945 244 HA ASN 31 HA ASN 31 10.062 1.515 -6.367 245 HB2 ASN 31 HB2 ASN 31 11.563 3.960 -7.313 246 HB3 ASN 31 HB3 ASN 31 11.752 2.372 -8.049 247 HD21 ASN 31 HD21 ASN 31 9.492 1.324 -8.486 248 HD22 ASN 31 HD22 ASN 31 8.388 2.346 -9.336 249 H ARG 32 H ARG 32 12.610 3.733 -5.220 250 HA ARG 32 HA ARG 32 14.168 1.369 -4.408 251 HB2 ARG 32 HB2 ARG 32 15.235 4.138 -4.971 252 HB3 ARG 32 HB3 ARG 32 16.171 2.676 -4.689 253 HG2 ARG 32 HG2 ARG 32 14.381 3.204 -7.053 254 HG3 ARG 32 HG3 ARG 32 16.145 3.260 -7.045 255 HD2 ARG 32 HD2 ARG 32 16.030 0.837 -6.227 256 HD3 ARG 32 HD3 ARG 32 14.340 0.882 -6.728 257 HE ARG 32 HE ARG 32 15.017 0.806 -8.919 258 HH11 ARG 32 HH11 ARG 32 17.749 1.526 -6.886 259 HH12 ARG 32 HH12 ARG 32 18.910 1.342 -8.159 260 HH21 ARG 32 HH21 ARG 32 16.536 0.560 -10.603 261 HH22 ARG 32 HH22 ARG 32 18.219 0.794 -10.273 262 H PHE 33 H PHE 33 15.450 1.574 -2.452 263 HA PHE 33 HA PHE 33 13.998 3.068 -0.409 264 HB2 PHE 33 HB2 PHE 33 16.010 0.824 -0.281 265 HB3 PHE 33 HB3 PHE 33 15.463 1.684 1.155 266 HD1 PHE 33 HD2 PHE 33 14.491 -0.611 -1.529 267 HD2 PHE 33 HD1 PHE 33 13.255 1.360 2.035 268 HE1 PHE 33 HE2 PHE 33 12.541 -2.104 -1.384 269 HE2 PHE 33 HE1 PHE 33 11.303 -0.130 2.186 270 HZ PHE 33 HZ PHE 33 10.943 -1.864 0.475 271 H PHE 34 H PHE 34 15.083 4.345 1.172 272 HA PHE 34 HA PHE 34 17.814 5.174 0.555 273 HB2 PHE 34 HB2 PHE 34 16.211 6.680 -0.682 274 HB3 PHE 34 HB3 PHE 34 15.600 7.203 0.884 275 HD1 PHE 34 HD2 PHE 34 17.333 8.171 2.533 276 HD2 PHE 34 HD1 PHE 34 18.001 7.773 -1.652 277 HE1 PHE 34 HE2 PHE 34 19.109 9.869 2.659 278 HE2 PHE 34 HE1 PHE 34 19.779 9.470 -1.533 279 HZ PHE 34 HZ PHE 34 20.334 10.521 0.624 280 H PHE 35 H PHE 35 18.928 5.103 2.380 281 HA PHE 35 HA PHE 35 17.518 5.616 4.914 282 HB2 PHE 35 HB2 PHE 35 20.060 4.023 4.540 283 HB3 PHE 35 HB3 PHE 35 19.094 4.156 6.007 284 HD1 PHE 35 HD1 PHE 35 16.389 3.913 4.549 285 HD2 PHE 35 HD2 PHE 35 19.988 1.646 4.401 286 HE1 PHE 35 HE1 PHE 35 15.105 1.924 3.882 287 HE2 PHE 35 HE2 PHE 35 18.710 -0.347 3.733 288 HZ PHE 35 HZ PHE 35 16.264 -0.210 3.474 289 H ASP 36 H ASP 36 18.398 7.002 6.408 290 HA ASP 36 HA ASP 36 20.609 8.674 5.425 291 HB2 ASP 36 HB2 ASP 36 18.753 10.073 5.729 292 HB3 ASP 36 HB3 ASP 36 18.252 9.244 7.200 293 H CYS 37 H CYS 37 22.505 8.189 6.300 294 HA CYS 37 HA CYS 37 22.581 7.217 9.073 295 HB2 CYS 37 HB2 CYS 37 23.557 5.717 7.369 296 HB3 CYS 37 HB3 CYS 37 24.684 6.987 6.910 297 HG CYS 37 HG CYS 37 25.556 4.711 8.708 298 H LEU 38 H LEU 38 23.458 8.433 10.620 299 HA LEU 38 HA LEU 38 24.923 10.853 9.806 300 HB2 LEU 38 HB2 LEU 38 23.440 10.345 12.379 301 HB3 LEU 38 HB3 LEU 38 24.202 11.856 11.888 302 HG LEU 38 HG LEU 38 21.740 10.578 10.709 303 HD11 LEU 38 HD11 LEU 38 22.067 13.298 11.947 304 HD12 LEU 38 HD12 LEU 38 21.591 11.874 12.872 305 HD13 LEU 38 HD13 LEU 38 20.573 12.448 11.551 306 HD21 LEU 38 HD21 LEU 38 21.748 12.789 9.372 307 HD22 LEU 38 HD22 LEU 38 22.766 11.457 8.822 308 HD23 LEU 38 HD23 LEU 38 23.479 12.803 9.713 309 H ALA 39 H ALA 39 27.044 10.515 9.973 310 HA ALA 39 HA ALA 39 28.060 8.952 12.246 311 HB1 ALA 39 HB1 ALA 39 29.102 7.934 10.529 312 HB2 ALA 39 HB2 ALA 39 28.948 9.333 9.465 313 HB3 ALA 39 HB3 ALA 39 30.229 9.283 10.677 314 H VAL 40 H VAL 40 29.354 11.635 10.286 315 HA VAL 40 HA VAL 40 29.892 13.111 12.770 316 HB VAL 40 HB VAL 40 31.872 12.737 10.519 317 HG11 VAL 40 HG11 VAL 40 32.350 14.868 11.213 318 HG12 VAL 40 HG12 VAL 40 31.773 14.581 12.856 319 HG13 VAL 40 HG13 VAL 40 33.334 13.939 12.343 320 HG21 VAL 40 HG21 VAL 40 31.734 10.776 11.939 321 HG22 VAL 40 HG22 VAL 40 33.249 11.630 12.235 322 HG23 VAL 40 HG23 VAL 40 31.914 11.778 13.379 323 H CYS 41 H CYS 41 29.773 15.331 12.623 324 HA CYS 41 HA CYS 41 28.220 16.366 10.454 325 HB2 CYS 41 HB2 CYS 41 28.211 18.447 11.689 326 HB3 CYS 41 HB3 CYS 41 27.947 17.116 12.809 327 HG CYS 41 HG CYS 41 30.318 17.236 14.066 328 H VAL 42 H VAL 42 28.796 18.186 9.123 329 HA VAL 42 HA VAL 42 31.474 17.949 8.082 330 HB VAL 42 HB VAL 42 29.281 19.842 7.228 331 HG11 VAL 42 HG11 VAL 42 31.416 20.583 6.431 332 HG12 VAL 42 HG12 VAL 42 31.833 18.955 5.891 333 HG13 VAL 42 HG13 VAL 42 30.546 19.851 5.083 334 HG21 VAL 42 HG21 VAL 42 28.217 18.060 6.430 335 HG22 VAL 42 HG22 VAL 42 29.584 17.786 5.350 336 HG23 VAL 42 HG23 VAL 42 29.531 16.993 6.925 337 H ASN 43 H ASN 43 29.520 20.600 9.442 338 HA ASN 43 HA ASN 43 31.904 21.769 10.605 339 HB2 ASN 43 HB2 ASN 43 30.443 22.975 8.302 340 HB3 ASN 43 HB3 ASN 43 31.022 24.055 9.566 341 HD21 ASN 43 HD21 ASN 43 33.373 23.347 10.277 342 HD22 ASN 43 HD22 ASN 43 34.481 23.203 8.958 343 H VAL 44 H VAL 44 31.310 23.774 11.898 344 HA VAL 44 HA VAL 44 28.606 23.453 13.031 345 HB VAL 44 HB VAL 44 30.428 22.656 14.539 346 HG11 VAL 44 HG11 VAL 44 31.209 25.563 14.687 347 HG12 VAL 44 HG12 VAL 44 31.948 24.213 15.550 348 HG13 VAL 44 HG13 VAL 44 32.108 24.335 13.798 349 HG21 VAL 44 HG21 VAL 44 28.212 24.241 15.115 350 HG22 VAL 44 HG22 VAL 44 29.085 23.193 16.233 351 HG23 VAL 44 HG23 VAL 44 29.511 24.899 16.109 352 H LYS 45 H LYS 45 30.697 25.508 11.429 353 HA LYS 45 HA LYS 45 30.330 28.008 12.534 354 HB2 LYS 45 HB2 LYS 45 31.115 26.938 9.967 355 HB3 LYS 45 HB3 LYS 45 30.149 28.393 9.758 356 HG2 LYS 45 HG2 LYS 45 31.662 29.636 11.187 357 HG3 LYS 45 HG3 LYS 45 32.608 28.176 11.485 358 HD2 LYS 45 HD2 LYS 45 33.861 29.027 9.796 359 HD3 LYS 45 HD3 LYS 45 32.665 28.182 8.810 360 HE2 LYS 45 HE2 LYS 45 32.903 30.376 7.916 361 HE3 LYS 45 HE3 LYS 45 31.348 30.312 8.745 362 HZ1 LYS 45 HZ1 LYS 45 31.972 31.982 10.034 363 HZ2 LYS 45 HZ2 LYS 45 33.415 32.115 9.161 364 HZ3 LYS 45 HZ3 LYS 45 33.351 31.146 10.546 365 HA PRO 46 HA PRO 46 26.269 28.555 9.973 366 HB2 PRO 46 HB2 PRO 46 25.229 26.337 8.802 367 HB3 PRO 46 HB3 PRO 46 26.391 27.396 7.993 368 HG2 PRO 46 HG2 PRO 46 26.857 24.792 9.394 369 HG3 PRO 46 HG3 PRO 46 27.525 25.370 7.857 370 HD2 PRO 46 HD2 PRO 46 28.926 25.441 10.173 371 HD3 PRO 46 HD3 PRO 46 29.133 26.655 8.895 372 H ALA 47 H ALA 47 24.048 28.212 10.554 373 HA ALA 47 HA ALA 47 23.591 27.466 13.169 374 HB1 ALA 47 HB1 ALA 47 22.038 28.407 10.998 375 HB2 ALA 47 HB2 ALA 47 21.183 27.041 11.716 376 HB3 ALA 47 HB3 ALA 47 21.641 28.419 12.717 377 HA PRO 48 HA PRO 48 23.227 23.097 13.358 378 HB2 PRO 48 HB2 PRO 48 21.144 22.761 15.067 379 HB3 PRO 48 HB3 PRO 48 22.733 23.332 15.590 380 HG2 PRO 48 HG2 PRO 48 20.252 24.904 15.010 381 HG3 PRO 48 HG3 PRO 48 21.404 25.083 16.347 382 HD2 PRO 48 HD2 PRO 48 21.436 26.693 14.170 383 HD3 PRO 48 HD3 PRO 48 22.910 26.257 15.057 384 H GLU 49 H GLU 49 20.180 24.813 12.780 385 HA GLU 49 HA GLU 49 18.705 22.598 11.856 386 HB2 GLU 49 HB2 GLU 49 17.168 24.252 10.903 387 HB3 GLU 49 HB3 GLU 49 17.633 24.682 12.543 388 HG2 GLU 49 HG2 GLU 49 19.487 26.061 11.218 389 HG3 GLU 49 HG3 GLU 49 18.229 26.031 9.984 390 H LYS 50 H LYS 50 21.099 24.593 10.359 391 HA LYS 50 HA LYS 50 20.532 23.352 7.749 392 HB2 LYS 50 HB2 LYS 50 22.264 25.776 8.208 393 HB3 LYS 50 HB3 LYS 50 21.580 25.205 6.692 394 HG2 LYS 50 HG2 LYS 50 19.344 25.773 7.470 395 HG3 LYS 50 HG3 LYS 50 20.011 26.316 9.011 396 HD2 LYS 50 HD2 LYS 50 21.450 27.907 7.596 397 HD3 LYS 50 HD3 LYS 50 20.322 27.543 6.288 398 HE2 LYS 50 HE2 LYS 50 18.520 28.507 7.417 399 HE3 LYS 50 HE3 LYS 50 19.338 28.433 8.977 400 HZ1 LYS 50 HZ1 LYS 50 19.743 30.584 8.573 401 HZ2 LYS 50 HZ2 LYS 50 19.493 30.444 6.906 402 HZ3 LYS 50 HZ3 LYS 50 20.985 30.013 7.576 403 H ARG 51 H ARG 51 22.165 22.447 10.199 404 HA ARG 51 HA ARG 51 24.863 22.318 9.193 405 HB2 ARG 51 HB2 ARG 51 23.949 22.290 11.680 406 HB3 ARG 51 HB3 ARG 51 23.909 20.554 11.402 407 HG2 ARG 51 HG2 ARG 51 26.186 20.379 11.281 408 HG3 ARG 51 HG3 ARG 51 26.394 22.045 10.735 409 HD2 ARG 51 HD2 ARG 51 27.219 21.908 12.968 410 HD3 ARG 51 HD3 ARG 51 25.694 22.792 13.015 411 HE ARG 51 HE ARG 51 25.308 20.012 13.483 412 HH11 ARG 51 HH11 ARG 51 26.360 22.971 14.986 413 HH12 ARG 51 HH12 ARG 51 25.945 22.457 16.588 414 HH21 ARG 51 HH21 ARG 51 24.758 19.324 15.587 415 HH22 ARG 51 HH22 ARG 51 25.034 20.383 16.929 416 H GLU 52 H GLU 52 25.558 20.903 7.743 417 HA GLU 52 HA GLU 52 23.934 18.570 7.111 418 HB2 GLU 52 HB2 GLU 52 26.469 19.431 5.726 419 HB3 GLU 52 HB3 GLU 52 25.189 18.401 5.099 420 HG2 GLU 52 HG2 GLU 52 24.747 20.363 4.017 421 HG3 GLU 52 HG3 GLU 52 23.707 20.517 5.432 422 H PHE 53 H PHE 53 24.613 16.463 7.275 423 HA PHE 53 HA PHE 53 27.120 16.030 8.762 424 HB2 PHE 53 HB2 PHE 53 24.704 14.231 8.902 425 HB3 PHE 53 HB3 PHE 53 26.102 14.256 9.972 426 HD1 PHE 53 HD2 PHE 53 26.367 17.101 10.581 427 HD2 PHE 53 HD1 PHE 53 22.880 14.683 10.247 428 HE1 PHE 53 HE2 PHE 53 25.173 18.618 12.106 429 HE2 PHE 53 HE1 PHE 53 21.680 16.197 11.770 430 HZ PHE 53 HZ PHE 53 22.826 18.168 12.702 431 H TRP 54 H TRP 54 28.252 14.051 8.348 432 HA TRP 54 HA TRP 54 28.181 13.326 5.556 433 HB2 TRP 54 HB2 TRP 54 29.965 12.451 7.835 434 HB3 TRP 54 HB3 TRP 54 30.158 11.904 6.172 435 HD1 TRP 54 HD1 TRP 54 31.794 14.165 8.318 436 HE1 TRP 54 HE1 TRP 54 32.808 16.185 7.086 437 HE3 TRP 54 HE3 TRP 54 29.212 13.812 3.920 438 HZ2 TRP 54 HZ2 TRP 54 32.546 17.461 4.581 439 HZ3 TRP 54 HZ3 TRP 54 29.652 15.472 2.158 440 HH2 TRP 54 HH2 TRP 54 31.284 17.258 2.484 441 H GLY 55 H GLY 55 27.475 11.455 4.669 442 HA2 GLY 55 HA2 GLY 55 27.054 9.056 6.136 443 HA3 GLY 55 HA3 GLY 55 25.536 9.912 5.910 444 H TRP 56 H TRP 56 25.802 7.419 4.866 445 HA TRP 56 HA TRP 56 25.857 7.984 1.983 446 HB2 TRP 56 HB2 TRP 56 26.915 5.839 1.535 447 HB3 TRP 56 HB3 TRP 56 27.932 6.791 2.614 448 HD1 TRP 56 HD1 TRP 56 28.223 5.917 5.122 449 HE1 TRP 56 HE1 TRP 56 27.797 3.622 6.206 450 HE3 TRP 56 HE3 TRP 56 25.359 3.804 1.452 451 HZ2 TRP 56 HZ2 TRP 56 26.429 1.232 5.588 452 HZ3 TRP 56 HZ3 TRP 56 24.531 1.510 1.776 453 HH2 TRP 56 HH2 TRP 56 25.057 0.252 3.801 454 H TRP 57 H TRP 57 24.069 7.363 0.953 455 HA TRP 57 HA TRP 57 22.072 5.841 2.433 456 HB2 TRP 57 HB2 TRP 57 20.549 6.518 0.585 457 HB3 TRP 57 HB3 TRP 57 21.304 7.888 1.394 458 HD1 TRP 57 HD1 TRP 57 21.418 5.945 -1.919 459 HE1 TRP 57 HE1 TRP 57 22.514 7.443 -3.702 460 HE3 TRP 57 HE3 TRP 57 22.861 9.836 1.066 461 HZ2 TRP 57 HZ2 TRP 57 23.819 9.943 -3.826 462 HZ3 TRP 57 HZ3 TRP 57 24.029 11.742 0.037 463 HH2 TRP 57 HH2 TRP 57 24.497 11.792 -2.358 464 H MET 58 H MET 58 20.740 4.248 1.137 465 HA MET 58 HA MET 58 22.389 2.751 -0.778 466 HB2 MET 58 HB2 MET 58 22.161 1.918 1.784 467 HB3 MET 58 HB3 MET 58 20.750 1.137 1.082 468 HG2 MET 58 HG2 MET 58 22.102 -0.023 -0.510 469 HG3 MET 58 HG3 MET 58 23.534 0.881 -0.024 470 HE1 MET 58 HE1 MET 58 20.961 -1.585 0.562 471 HE2 MET 58 HE2 MET 58 21.792 -2.871 1.437 472 HE3 MET 58 HE3 MET 58 20.888 -1.642 2.323 473 H GLU 59 H GLU 59 21.297 2.583 -2.614 474 HA GLU 59 HA GLU 59 18.360 2.400 -2.494 475 HB2 GLU 59 HB2 GLU 59 18.503 3.227 -4.906 476 HB3 GLU 59 HB3 GLU 59 18.872 4.390 -3.640 477 HG2 GLU 59 HG2 GLU 59 21.237 4.120 -4.023 478 HG3 GLU 59 HG3 GLU 59 20.929 2.855 -5.211 479 H LEU 60 H LEU 60 17.664 0.400 -2.825 480 HA LEU 60 HA LEU 60 18.891 -1.178 -4.976 481 HB2 LEU 60 HB2 LEU 60 18.441 -3.205 -3.479 482 HB3 LEU 60 HB3 LEU 60 19.852 -2.207 -3.133 483 HG LEU 60 HG LEU 60 18.473 -1.077 -1.350 484 HD11 LEU 60 HD11 LEU 60 16.258 -1.521 -1.832 485 HD12 LEU 60 HD12 LEU 60 16.594 -2.663 -0.531 486 HD13 LEU 60 HD13 LEU 60 16.570 -3.217 -2.205 487 HD21 LEU 60 HD21 LEU 60 18.821 -2.851 0.264 488 HD22 LEU 60 HD22 LEU 60 20.170 -2.792 -0.871 489 HD23 LEU 60 HD23 LEU 60 18.934 -4.041 -1.033 490 H GLU 61 H GLU 61 17.494 -2.895 -5.799 491 HA GLU 61 HA GLU 61 14.636 -2.379 -5.314 492 HB2 GLU 61 HB2 GLU 61 15.614 -1.433 -7.501 493 HB3 GLU 61 HB3 GLU 61 15.719 -3.108 -8.024 494 HG2 GLU 61 HG2 GLU 61 13.243 -3.270 -7.472 495 HG3 GLU 61 HG3 GLU 61 13.268 -1.510 -7.373 496 H ALA 62 H ALA 62 13.830 -4.137 -4.384 497 HA ALA 62 HA ALA 62 14.935 -6.661 -4.282 498 HB1 ALA 62 HB1 ALA 62 11.972 -6.480 -4.296 499 HB2 ALA 62 HB2 ALA 62 13.054 -7.305 -3.172 500 HB3 ALA 62 HB3 ALA 62 12.850 -5.556 -3.077 501 H GLN 63 H GLN 63 14.779 -8.525 -5.463 502 HA GLN 63 HA GLN 63 13.610 -8.243 -8.147 503 HB2 GLN 63 HB2 GLN 63 16.123 -9.304 -7.180 504 HB3 GLN 63 HB3 GLN 63 15.255 -10.507 -8.124 505 HG2 GLN 63 HG2 GLN 63 16.047 -7.744 -9.009 506 HG3 GLN 63 HG3 GLN 63 16.729 -9.274 -9.557 507 HE21 GLN 63 HE21 GLN 63 15.298 -10.729 -10.717 508 HE22 GLN 63 HE22 GLN 63 14.037 -10.067 -11.695 509 H GLU 64 H GLU 64 13.226 -10.644 -9.063 510 HA GLU 64 HA GLU 64 10.895 -11.576 -7.903 511 HB2 GLU 64 HB2 GLU 64 12.720 -12.476 -9.997 512 HB3 GLU 64 HB3 GLU 64 11.915 -13.808 -9.180 513 HG2 GLU 64 HG2 GLU 64 10.182 -11.562 -9.956 514 HG3 GLU 64 HG3 GLU 64 10.890 -12.481 -11.283 515 H LYS 65 H LYS 65 14.001 -13.333 -7.867 516 HA LYS 65 HA LYS 65 13.336 -14.284 -5.163 517 HB2 LYS 65 HB2 LYS 65 13.449 -15.862 -7.509 518 HB3 LYS 65 HB3 LYS 65 14.886 -16.250 -6.571 519 HG2 LYS 65 HG2 LYS 65 12.409 -16.132 -5.010 520 HG3 LYS 65 HG3 LYS 65 12.455 -17.401 -6.235 521 HD2 LYS 65 HD2 LYS 65 14.362 -18.396 -5.287 522 HD3 LYS 65 HD3 LYS 65 14.724 -16.969 -4.313 523 HE2 LYS 65 HE2 LYS 65 13.798 -18.313 -2.713 524 HE3 LYS 65 HE3 LYS 65 12.350 -17.489 -3.291 525 HZ1 LYS 65 HZ1 LYS 65 11.648 -19.346 -4.439 526 HZ2 LYS 65 HZ2 LYS 65 12.325 -20.035 -3.051 527 HZ3 LYS 65 HZ3 LYS 65 13.190 -20.039 -4.505 528 H ARG 66 H ARG 66 14.970 -12.097 -5.705 529 HA ARG 66 HA ARG 66 17.411 -12.962 -4.447 530 HB2 ARG 66 HB2 ARG 66 17.324 -12.183 -7.307 531 HB3 ARG 66 HB3 ARG 66 18.631 -11.502 -6.348 532 HG2 ARG 66 HG2 ARG 66 19.206 -13.831 -5.636 533 HG3 ARG 66 HG3 ARG 66 18.026 -14.410 -6.814 534 HD2 ARG 66 HD2 ARG 66 19.265 -13.247 -8.593 535 HD3 ARG 66 HD3 ARG 66 20.458 -12.726 -7.404 536 HE ARG 66 HE ARG 66 20.421 -15.429 -7.142 537 HH11 ARG 66 HH11 ARG 66 20.861 -13.258 -9.828 538 HH12 ARG 66 HH12 ARG 66 21.895 -14.339 -10.701 539 HH21 ARG 66 HH21 ARG 66 21.783 -16.861 -8.281 540 HH22 ARG 66 HH22 ARG 66 22.419 -16.389 -9.821 541 H PHE 67 H PHE 67 18.948 -10.882 -4.364 542 HA PHE 67 HA PHE 67 17.404 -8.433 -4.077 543 HB2 PHE 67 HB2 PHE 67 17.782 -10.074 -1.866 544 HB3 PHE 67 HB3 PHE 67 19.045 -8.857 -1.708 545 HD1 PHE 67 HD2 PHE 67 18.420 -6.448 -1.630 546 HD2 PHE 67 HD1 PHE 67 15.522 -9.560 -1.445 547 HE1 PHE 67 HE2 PHE 67 16.776 -4.859 -0.721 548 HE2 PHE 67 HE1 PHE 67 13.874 -7.976 -0.536 549 HZ PHE 67 HZ PHE 67 14.499 -5.622 -0.173 550 H THR 68 H THR 68 18.573 -6.675 -4.568 551 HA THR 68 HA THR 68 21.477 -7.032 -4.908 552 HB THR 68 HB THR 68 20.336 -6.584 -7.016 553 HG1 THR 68 HG1 THR 68 22.166 -5.562 -7.327 554 HG21 THR 68 HG21 THR 68 19.062 -4.452 -5.415 555 HG22 THR 68 HG22 THR 68 18.422 -5.396 -6.760 556 HG23 THR 68 HG23 THR 68 19.491 -4.028 -7.072 557 H TYR 69 H TYR 69 22.780 -5.026 -4.648 558 HA TYR 69 HA TYR 69 21.678 -2.953 -2.961 559 HB2 TYR 69 HB2 TYR 69 22.999 -3.336 -1.039 560 HB3 TYR 69 HB3 TYR 69 22.312 -4.905 -1.442 561 HD1 TYR 69 HD1 TYR 69 23.912 -6.198 -3.274 562 HD2 TYR 69 HD2 TYR 69 25.180 -3.411 -0.320 563 HE1 TYR 69 HE1 TYR 69 26.168 -7.177 -3.328 564 HE2 TYR 69 HE2 TYR 69 27.440 -4.381 -0.366 565 HH TYR 69 HH TYR 69 28.258 -7.030 -2.584 566 H ARG 70 H ARG 70 22.883 -1.083 -2.979 567 HA ARG 70 HA ARG 70 25.341 -1.143 -4.605 568 HB2 ARG 70 HB2 ARG 70 22.949 0.616 -4.738 569 HB3 ARG 70 HB3 ARG 70 24.514 1.370 -5.011 570 HG2 ARG 70 HG2 ARG 70 24.940 0.065 -6.907 571 HG3 ARG 70 HG3 ARG 70 23.671 -1.093 -6.498 572 HD2 ARG 70 HD2 ARG 70 22.790 0.204 -8.251 573 HD3 ARG 70 HD3 ARG 70 22.035 0.828 -6.785 574 HE ARG 70 HE ARG 70 24.351 2.318 -7.322 575 HH11 ARG 70 HH11 ARG 70 21.162 1.772 -8.608 576 HH12 ARG 70 HH12 ARG 70 21.036 3.348 -9.316 577 HH21 ARG 70 HH21 ARG 70 24.196 4.396 -8.249 578 HH22 ARG 70 HH22 ARG 70 22.763 4.840 -9.112 579 H TYR 71 H TYR 71 27.081 0.002 -3.891 580 HA TYR 71 HA TYR 71 26.784 1.336 -1.280 581 HB2 TYR 71 HB2 TYR 71 28.800 -0.555 -2.339 582 HB3 TYR 71 HB3 TYR 71 29.428 0.780 -1.380 583 HD1 TYR 71 HD2 TYR 71 26.151 -0.849 -0.853 584 HD2 TYR 71 HD1 TYR 71 30.162 -0.456 0.511 585 HE1 TYR 71 HE2 TYR 71 25.563 -2.059 1.206 586 HE2 TYR 71 HE1 TYR 71 29.586 -1.666 2.573 587 HH TYR 71 HH TYR 71 26.673 -3.374 2.949 588 H GLN 72 H GLN 72 26.671 3.459 -1.709 589 HA GLN 72 HA GLN 72 28.899 4.651 -3.200 590 HB2 GLN 72 HB2 GLN 72 26.788 4.481 -4.605 591 HB3 GLN 72 HB3 GLN 72 26.059 5.627 -3.487 592 HG2 GLN 72 HG2 GLN 72 27.360 7.371 -4.206 593 HG3 GLN 72 HG3 GLN 72 28.654 6.315 -4.770 594 HE21 GLN 72 HE21 GLN 72 28.671 7.476 -6.737 595 HE22 GLN 72 HE22 GLN 72 27.472 7.193 -7.948 596 H PHE 73 H PHE 73 29.542 6.693 -2.508 597 HA PHE 73 HA PHE 73 28.655 7.372 0.188 598 HB2 PHE 73 HB2 PHE 73 31.073 8.062 -1.455 599 HB3 PHE 73 HB3 PHE 73 30.667 9.003 -0.024 600 HD1 PHE 73 HD2 PHE 73 31.232 5.497 -1.133 601 HD2 PHE 73 HD1 PHE 73 31.431 8.320 2.045 602 HE1 PHE 73 HE2 PHE 73 32.359 3.824 0.277 603 HE2 PHE 73 HE1 PHE 73 32.559 6.653 3.460 604 HZ PHE 73 HZ PHE 73 33.025 4.402 2.577 605 H GLY 74 H GLY 74 28.362 9.659 0.771 606 HA2 GLY 74 HA2 GLY 74 27.976 11.701 -1.120 607 HA3 GLY 74 HA3 GLY 74 26.433 10.906 -0.847 608 H LEU 75 H LEU 75 25.727 12.992 -0.043 609 HA LEU 75 HA LEU 75 26.428 13.324 2.791 610 HB2 LEU 75 HB2 LEU 75 27.573 15.108 1.793 611 HB3 LEU 75 HB3 LEU 75 26.260 15.430 0.662 612 HG LEU 75 HG LEU 75 25.704 15.812 3.554 613 HD11 LEU 75 HD11 LEU 75 27.301 17.788 1.931 614 HD12 LEU 75 HD12 LEU 75 27.933 16.812 3.257 615 HD13 LEU 75 HD13 LEU 75 26.687 18.021 3.569 616 HD21 LEU 75 HD21 LEU 75 23.852 16.421 2.414 617 HD22 LEU 75 HD22 LEU 75 24.744 16.781 0.936 618 HD23 LEU 75 HD23 LEU 75 24.720 17.948 2.259 619 H PHE 76 H PHE 76 24.756 13.952 4.147 620 HA PHE 76 HA PHE 76 22.074 13.764 2.955 621 HB2 PHE 76 HB2 PHE 76 22.443 11.992 4.530 622 HB3 PHE 76 HB3 PHE 76 23.065 13.116 5.733 623 HD1 PHE 76 HD1 PHE 76 20.017 12.107 3.899 624 HD2 PHE 76 HD2 PHE 76 21.628 14.195 7.240 625 HE1 PHE 76 HE1 PHE 76 17.755 12.342 4.839 626 HE2 PHE 76 HE2 PHE 76 19.369 14.432 8.186 627 HZ PHE 76 HZ PHE 76 17.429 13.505 6.985 628 H ASP 77 H ASP 77 21.350 15.768 2.574 629 HA ASP 77 HA ASP 77 21.968 17.953 4.373 630 HB2 ASP 77 HB2 ASP 77 20.890 17.665 1.653 631 HB3 ASP 77 HB3 ASP 77 20.154 18.964 2.587 632 H LYS 78 H LYS 78 19.929 19.506 4.679 633 HA LYS 78 HA LYS 78 18.188 18.082 6.458 634 HB2 LYS 78 HB2 LYS 78 17.176 20.327 6.846 635 HB3 LYS 78 HB3 LYS 78 18.916 20.284 7.094 636 HG2 LYS 78 HG2 LYS 78 19.322 21.391 5.032 637 HG3 LYS 78 HG3 LYS 78 17.636 21.221 4.540 638 HD2 LYS 78 HD2 LYS 78 18.423 22.733 7.014 639 HD3 LYS 78 HD3 LYS 78 18.387 23.501 5.425 640 HE2 LYS 78 HE2 LYS 78 16.053 22.054 6.668 641 HE3 LYS 78 HE3 LYS 78 16.300 23.797 6.759 642 HZ1 LYS 78 HZ1 LYS 78 14.976 22.463 4.785 643 HZ2 LYS 78 HZ2 LYS 78 16.474 22.809 4.081 644 HZ3 LYS 78 HZ3 LYS 78 15.525 24.062 4.707 645 H GLU 79 H GLU 79 17.987 19.327 3.212 646 HA GLU 79 HA GLU 79 15.115 19.092 3.060 647 HB2 GLU 79 HB2 GLU 79 17.157 19.517 0.871 648 HB3 GLU 79 HB3 GLU 79 15.415 19.663 0.688 649 HG2 GLU 79 HG2 GLU 79 15.396 21.524 2.261 650 HG3 GLU 79 HG3 GLU 79 17.140 21.372 2.466 651 H GLY 80 H GLY 80 17.674 16.935 2.939 652 HA2 GLY 80 HA2 GLY 80 17.725 14.675 2.505 653 HA3 GLY 80 HA3 GLY 80 15.991 14.752 2.229 654 H ASN 81 H ASN 81 17.957 16.882 0.382 655 HA ASN 81 HA ASN 81 17.260 15.421 -2.034 656 HB2 ASN 81 HB2 ASN 81 17.672 17.396 -3.213 657 HB3 ASN 81 HB3 ASN 81 17.049 17.981 -1.673 658 HD21 ASN 81 HD21 ASN 81 18.644 18.626 -0.058 659 HD22 ASN 81 HD22 ASN 81 20.124 19.339 -0.593 660 H TRP 82 H TRP 82 18.740 14.682 -3.557 661 HA TRP 82 HA TRP 82 21.181 13.674 -2.512 662 HB2 TRP 82 HB2 TRP 82 20.377 13.808 -5.422 663 HB3 TRP 82 HB3 TRP 82 21.516 12.689 -4.677 664 HD1 TRP 82 HD1 TRP 82 20.031 11.366 -2.410 665 HE1 TRP 82 HE1 TRP 82 17.878 9.998 -2.757 666 HE3 TRP 82 HE3 TRP 82 18.536 13.326 -6.889 667 HZ2 TRP 82 HZ2 TRP 82 15.819 9.779 -4.675 668 HZ3 TRP 82 HZ3 TRP 82 16.464 12.483 -7.912 669 HH2 TRP 82 HH2 TRP 82 15.135 10.745 -6.827 670 H THR 83 H THR 83 23.072 14.665 -2.344 671 HA THR 83 HA THR 83 23.837 16.670 -4.333 672 HB THR 83 HB THR 83 24.198 17.200 -1.384 673 HG1 THR 83 HG1 THR 83 22.257 18.370 -3.112 674 HG21 THR 83 HG21 THR 83 24.137 19.474 -3.176 675 HG22 THR 83 HG22 THR 83 25.383 18.316 -3.643 676 HG23 THR 83 HG23 THR 83 25.373 18.991 -2.014 677 H VAL 84 H VAL 84 25.834 16.313 -5.041 678 HA VAL 84 HA VAL 84 27.526 14.414 -3.628 679 HB VAL 84 HB VAL 84 28.984 14.585 -5.647 680 HG11 VAL 84 HG11 VAL 84 26.256 14.019 -6.677 681 HG12 VAL 84 HG12 VAL 84 27.736 13.067 -6.807 682 HG13 VAL 84 HG13 VAL 84 26.829 13.087 -5.294 683 HG21 VAL 84 HG21 VAL 84 28.763 16.282 -7.061 684 HG22 VAL 84 HG22 VAL 84 27.120 15.764 -7.440 685 HG23 VAL 84 HG23 VAL 84 27.405 16.896 -6.118 686 H VAL 85 H VAL 85 29.104 15.013 -2.308 687 HA VAL 85 HA VAL 85 30.539 17.514 -2.798 688 HB VAL 85 HB VAL 85 30.469 17.892 -0.242 689 HG11 VAL 85 HG11 VAL 85 28.694 19.415 -0.476 690 HG12 VAL 85 HG12 VAL 85 29.378 19.256 -2.095 691 HG13 VAL 85 HG13 VAL 85 27.885 18.414 -1.682 692 HG21 VAL 85 HG21 VAL 85 28.850 16.908 1.030 693 HG22 VAL 85 HG22 VAL 85 27.769 16.654 -0.340 694 HG23 VAL 85 HG23 VAL 85 29.159 15.594 -0.105 695 HA PRO 86 HA PRO 86 34.107 15.218 -1.673 696 HB2 PRO 86 HB2 PRO 86 35.649 17.133 -0.521 697 HB3 PRO 86 HB3 PRO 86 35.343 17.064 -2.261 698 HG2 PRO 86 HG2 PRO 86 34.037 18.766 -0.173 699 HG3 PRO 86 HG3 PRO 86 34.583 19.213 -1.799 700 HD2 PRO 86 HD2 PRO 86 31.988 18.698 -1.225 701 HD3 PRO 86 HD3 PRO 86 32.705 18.336 -2.808 702 H ILE 87 H ILE 87 35.148 14.194 0.042 703 HA ILE 87 HA ILE 87 33.779 14.443 2.616 704 HB ILE 87 HB ILE 87 35.650 12.294 1.615 705 HG12 ILE 87 HG12 ILE 87 33.461 12.365 0.461 706 HG13 ILE 87 HG13 ILE 87 33.655 10.910 1.432 707 HG21 ILE 87 HG21 ILE 87 34.679 11.052 3.621 708 HG22 ILE 87 HG22 ILE 87 35.876 12.304 3.948 709 HG23 ILE 87 HG23 ILE 87 34.162 12.636 4.199 710 HD11 ILE 87 HD11 ILE 87 32.439 12.849 3.076 711 HD12 ILE 87 HD12 ILE 87 31.595 12.862 1.527 712 HD13 ILE 87 HD13 ILE 87 31.745 11.359 2.438 713 H ASN 88 H ASN 88 34.856 14.763 4.553 714 HA ASN 88 HA ASN 88 37.050 16.484 4.548 715 HB2 ASN 88 HB2 ASN 88 35.803 14.794 6.708 716 HB3 ASN 88 HB3 ASN 88 37.188 15.833 7.033 717 HD21 ASN 88 HD21 ASN 88 35.021 16.335 8.447 718 HD22 ASN 88 HD22 ASN 88 34.210 17.758 7.896 719 H GLU 89 H GLU 89 38.958 15.784 6.241 720 HA GLU 89 HA GLU 89 40.779 14.325 4.782 721 HB2 GLU 89 HB2 GLU 89 40.588 15.016 7.690 722 HB3 GLU 89 HB3 GLU 89 41.875 13.955 7.134 723 HG2 GLU 89 HG2 GLU 89 41.436 16.541 5.731 724 HG3 GLU 89 HG3 GLU 89 42.231 16.541 7.304 725 H THR 90 H THR 90 41.878 12.262 5.498 726 HA THR 90 HA THR 90 40.191 10.092 5.193 727 HB THR 90 HB THR 90 42.484 9.733 4.745 728 HG1 THR 90 HG1 THR 90 42.962 7.957 6.205 729 HG21 THR 90 HG21 THR 90 43.894 11.057 5.900 730 HG22 THR 90 HG22 THR 90 43.948 9.717 7.046 731 HG23 THR 90 HG23 THR 90 42.860 11.076 7.328 732 H GLU 91 H GLU 91 41.061 11.817 8.083 733 HA GLU 91 HA GLU 91 40.526 9.952 10.057 734 HB2 GLU 91 HB2 GLU 91 39.917 11.907 11.486 735 HB3 GLU 91 HB3 GLU 91 41.444 12.094 10.635 736 HG2 GLU 91 HG2 GLU 91 40.194 13.411 8.899 737 HG3 GLU 91 HG3 GLU 91 38.809 13.383 9.989 738 H VAL 92 H VAL 92 38.275 12.023 8.279 739 HA VAL 92 HA VAL 92 35.978 11.065 9.728 740 HB VAL 92 HB VAL 92 36.135 12.693 7.187 741 HG11 VAL 92 HG11 VAL 92 33.976 12.082 7.021 742 HG12 VAL 92 HG12 VAL 92 33.885 11.567 8.707 743 HG13 VAL 92 HG13 VAL 92 33.733 13.276 8.296 744 HG21 VAL 92 HG21 VAL 92 35.219 14.375 9.091 745 HG22 VAL 92 HG22 VAL 92 36.298 13.362 10.051 746 HG23 VAL 92 HG23 VAL 92 36.919 14.226 8.644 747 H VAL 93 H VAL 93 37.243 10.658 6.427 748 HA VAL 93 HA VAL 93 35.291 9.021 5.373 749 HB VAL 93 HB VAL 93 37.685 9.927 4.464 750 HG11 VAL 93 HG11 VAL 93 38.857 8.089 5.656 751 HG12 VAL 93 HG12 VAL 93 37.990 6.933 4.642 752 HG13 VAL 93 HG13 VAL 93 39.115 8.079 3.911 753 HG21 VAL 93 HG21 VAL 93 35.557 9.217 3.251 754 HG22 VAL 93 HG22 VAL 93 37.081 9.002 2.390 755 HG23 VAL 93 HG23 VAL 93 36.290 7.617 3.143 756 H GLU 94 H GLU 94 37.880 8.214 7.593 757 HA GLU 94 HA GLU 94 37.748 5.410 7.366 758 HB2 GLU 94 HB2 GLU 94 38.671 7.241 9.572 759 HB3 GLU 94 HB3 GLU 94 38.730 5.491 9.732 760 HG2 GLU 94 HG2 GLU 94 39.968 6.749 7.340 761 HG3 GLU 94 HG3 GLU 94 40.803 6.855 8.889 762 H ARG 95 H ARG 95 35.959 7.719 9.332 763 HA ARG 95 HA ARG 95 34.665 5.825 10.988 764 HB2 ARG 95 HB2 ARG 95 34.728 8.108 11.696 765 HB3 ARG 95 HB3 ARG 95 33.962 8.654 10.210 766 HG2 ARG 95 HG2 ARG 95 32.397 8.713 12.057 767 HG3 ARG 95 HG3 ARG 95 31.896 7.518 10.858 768 HD2 ARG 95 HD2 ARG 95 32.677 5.720 12.212 769 HD3 ARG 95 HD3 ARG 95 33.478 6.828 13.325 770 HE ARG 95 HE ARG 95 30.747 7.438 13.277 771 HH11 ARG 95 HH11 ARG 95 32.883 4.890 14.309 772 HH12 ARG 95 HH12 ARG 95 31.844 4.360 15.590 773 HH21 ARG 95 HH21 ARG 95 29.370 6.749 14.960 774 HH22 ARG 95 HH22 ARG 95 29.845 5.418 15.959 775 H LEU 96 H LEU 96 33.668 7.455 7.994 776 HA LEU 96 HA LEU 96 31.133 6.168 7.858 777 HB2 LEU 96 HB2 LEU 96 32.799 7.762 5.954 778 HB3 LEU 96 HB3 LEU 96 31.364 6.918 5.377 779 HG LEU 96 HG LEU 96 30.852 9.240 5.822 780 HD11 LEU 96 HD11 LEU 96 29.594 7.776 8.100 781 HD12 LEU 96 HD12 LEU 96 29.278 7.268 6.441 782 HD13 LEU 96 HD13 LEU 96 28.872 8.906 6.954 783 HD21 LEU 96 HD21 LEU 96 32.643 9.569 7.525 784 HD22 LEU 96 HD22 LEU 96 31.624 8.722 8.689 785 HD23 LEU 96 HD23 LEU 96 31.079 10.244 7.982 786 H GLU 97 H GLU 97 34.330 5.449 6.596 787 HA GLU 97 HA GLU 97 33.632 3.455 4.756 788 HB2 GLU 97 HB2 GLU 97 35.889 4.544 5.015 789 HB3 GLU 97 HB3 GLU 97 36.149 3.523 6.423 790 HG2 GLU 97 HG2 GLU 97 36.304 1.595 5.165 791 HG3 GLU 97 HG3 GLU 97 35.429 2.291 3.802 792 H TYR 98 H TYR 98 34.541 3.195 8.184 793 HA TYR 98 HA TYR 98 34.351 0.410 8.389 794 HB2 TYR 98 HB2 TYR 98 35.427 1.750 10.112 795 HB3 TYR 98 HB3 TYR 98 33.898 2.532 10.497 796 HD1 TYR 98 HD2 TYR 98 32.076 1.205 11.571 797 HD2 TYR 98 HD1 TYR 98 35.993 -0.367 11.029 798 HE1 TYR 98 HE2 TYR 98 31.600 -0.539 13.238 799 HE2 TYR 98 HE1 TYR 98 35.527 -2.117 12.693 800 HH TYR 98 HH TYR 98 34.071 -2.602 14.495 801 H THR 99 H THR 99 31.940 2.913 9.159 802 HA THR 99 HA THR 99 29.877 1.184 9.927 803 HB THR 99 HB THR 99 28.352 3.040 9.579 804 HG1 THR 99 HG1 THR 99 28.739 4.392 8.009 805 HG21 THR 99 HG21 THR 99 31.046 3.739 10.720 806 HG22 THR 99 HG22 THR 99 29.570 3.293 11.576 807 HG23 THR 99 HG23 THR 99 29.688 4.862 10.782 808 H LEU 100 H LEU 100 30.985 2.198 6.776 809 HA LEU 100 HA LEU 100 28.675 1.319 5.343 810 HB2 LEU 100 HB2 LEU 100 29.995 2.966 4.299 811 HB3 LEU 100 HB3 LEU 100 31.476 2.040 4.538 812 HG LEU 100 HG LEU 100 29.376 0.852 2.806 813 HD11 LEU 100 HD11 LEU 100 29.354 2.445 1.267 814 HD12 LEU 100 HD12 LEU 100 31.117 2.478 1.220 815 HD13 LEU 100 HD13 LEU 100 30.247 3.488 2.374 816 HD21 LEU 100 HD21 LEU 100 31.194 -0.531 2.913 817 HD22 LEU 100 HD22 LEU 100 32.337 0.799 3.102 818 HD23 LEU 100 HD23 LEU 100 31.639 0.453 1.519 819 H ARG 101 H ARG 101 31.880 -0.064 5.974 820 HA ARG 101 HA ARG 101 31.432 -2.444 4.489 821 HB2 ARG 101 HB2 ARG 101 33.664 -1.392 5.287 822 HB3 ARG 101 HB3 ARG 101 33.353 -2.251 6.790 823 HG2 ARG 101 HG2 ARG 101 33.216 -4.362 5.486 824 HG3 ARG 101 HG3 ARG 101 33.698 -3.452 4.053 825 HD2 ARG 101 HD2 ARG 101 35.845 -3.223 4.753 826 HD3 ARG 101 HD3 ARG 101 35.395 -3.151 6.457 827 HE ARG 101 HE ARG 101 34.990 -5.744 5.323 828 HH11 ARG 101 HH11 ARG 101 37.370 -3.601 6.688 829 HH12 ARG 101 HH12 ARG 101 38.412 -4.881 7.212 830 HH21 ARG 101 HH21 ARG 101 36.354 -7.439 6.008 831 HH22 ARG 101 HH22 ARG 101 37.834 -7.064 6.824 832 H GLU 102 H GLU 102 31.335 -1.727 7.974 833 HA GLU 102 HA GLU 102 30.646 -4.283 8.858 834 HB2 GLU 102 HB2 GLU 102 30.058 -3.281 10.922 835 HB3 GLU 102 HB3 GLU 102 31.358 -2.298 10.263 836 HG2 GLU 102 HG2 GLU 102 29.914 -0.679 10.965 837 HG3 GLU 102 HG3 GLU 102 29.392 -0.877 9.293 838 H PHE 103 H PHE 103 28.716 -1.773 7.412 839 HA PHE 103 HA PHE 103 26.167 -2.672 8.202 840 HB2 PHE 103 HB2 PHE 103 26.599 -0.444 7.214 841 HB3 PHE 103 HB3 PHE 103 26.934 -1.211 5.666 842 HD1 PHE 103 HD2 PHE 103 25.090 -2.458 4.506 843 HD2 PHE 103 HD1 PHE 103 24.406 0.041 7.883 844 HE1 PHE 103 HE2 PHE 103 22.701 -2.342 3.932 845 HE2 PHE 103 HE1 PHE 103 22.015 0.161 7.314 846 HZ PHE 103 HZ PHE 103 21.160 -1.031 5.336 847 H HIS 104 H HIS 104 28.299 -3.602 5.574 848 HA HIS 104 HA HIS 104 26.449 -5.098 4.068 849 HB2 HIS 104 HB2 HIS 104 28.534 -4.486 3.061 850 HB3 HIS 104 HB3 HIS 104 29.452 -5.296 4.328 851 HD1 HIS 104 HD1 HIS 104 29.407 -7.946 4.285 852 HD2 HIS 104 HD2 HIS 104 27.799 -6.076 0.942 853 HE1 HIS 104 HE1 HIS 104 29.270 -9.730 2.519 854 H GLU 105 H GLU 105 28.360 -5.864 6.899 855 HA GLU 105 HA GLU 105 27.948 -8.682 6.796 856 HB2 GLU 105 HB2 GLU 105 29.543 -6.979 8.276 857 HB3 GLU 105 HB3 GLU 105 28.387 -7.569 9.461 858 HG2 GLU 105 HG2 GLU 105 28.971 -9.902 8.506 859 HG3 GLU 105 HG3 GLU 105 30.401 -9.091 7.870 860 H LYS 106 H LYS 106 26.434 -6.052 8.642 861 HA LYS 106 HA LYS 106 24.595 -7.684 10.032 862 HB2 LYS 106 HB2 LYS 106 23.825 -5.747 10.949 863 HB3 LYS 106 HB3 LYS 106 25.334 -5.127 10.294 864 HG2 LYS 106 HG2 LYS 106 23.997 -4.520 8.216 865 HG3 LYS 106 HG3 LYS 106 22.560 -4.823 9.196 866 HD2 LYS 106 HD2 LYS 106 24.751 -2.843 9.817 867 HD3 LYS 106 HD3 LYS 106 23.141 -2.454 9.208 868 HE2 LYS 106 HE2 LYS 106 22.776 -2.120 11.431 869 HE3 LYS 106 HE3 LYS 106 22.410 -3.842 11.346 870 HZ1 LYS 106 HZ1 LYS 106 24.270 -2.634 12.966 871 HZ2 LYS 106 HZ2 LYS 106 25.187 -3.395 11.766 872 HZ3 LYS 106 HZ3 LYS 106 24.096 -4.295 12.694 873 H LEU 107 H LEU 107 24.524 -6.158 6.884 874 HA LEU 107 HA LEU 107 21.754 -6.426 6.390 875 HB2 LEU 107 HB2 LEU 107 23.762 -5.185 5.120 876 HB3 LEU 107 HB3 LEU 107 23.636 -6.628 4.117 877 HG LEU 107 HG LEU 107 22.368 -4.752 3.190 878 HD11 LEU 107 HD11 LEU 107 21.587 -7.320 3.331 879 HD12 LEU 107 HD12 LEU 107 20.702 -6.076 2.448 880 HD13 LEU 107 HD13 LEU 107 20.193 -6.535 4.073 881 HD21 LEU 107 HD21 LEU 107 21.709 -4.223 5.825 882 HD22 LEU 107 HD22 LEU 107 20.203 -4.810 5.120 883 HD23 LEU 107 HD23 LEU 107 21.038 -3.434 4.398 884 H ARG 108 H ARG 108 24.512 -8.552 5.831 885 HA ARG 108 HA ARG 108 23.306 -10.483 4.239 886 HB2 ARG 108 HB2 ARG 108 25.698 -10.476 4.664 887 HB3 ARG 108 HB3 ARG 108 25.425 -10.817 6.368 888 HG2 ARG 108 HG2 ARG 108 25.023 -13.016 6.007 889 HG3 ARG 108 HG3 ARG 108 24.302 -12.738 4.421 890 HD2 ARG 108 HD2 ARG 108 26.665 -12.126 3.659 891 HD3 ARG 108 HD3 ARG 108 27.208 -12.863 5.165 892 HE ARG 108 HE ARG 108 25.505 -14.648 3.815 893 HH11 ARG 108 HH11 ARG 108 28.684 -13.250 3.572 894 HH12 ARG 108 HH12 ARG 108 29.355 -14.601 2.720 895 HH21 ARG 108 HH21 ARG 108 26.377 -16.433 2.694 896 HH22 ARG 108 HH22 ARG 108 28.042 -16.411 2.220 897 H ASP 109 H ASP 109 23.471 -10.299 7.785 898 HA ASP 109 HA ASP 109 22.138 -12.675 8.368 899 HB2 ASP 109 HB2 ASP 109 23.317 -11.343 10.062 900 HB3 ASP 109 HB3 ASP 109 22.098 -10.079 9.923 901 H LEU 110 H LEU 110 20.838 -9.420 7.829 902 HA LEU 110 HA LEU 110 18.157 -9.973 8.390 903 HB2 LEU 110 HB2 LEU 110 18.916 -7.714 8.171 904 HB3 LEU 110 HB3 LEU 110 19.412 -7.990 6.502 905 HG LEU 110 HG LEU 110 16.856 -8.477 6.152 906 HD11 LEU 110 HD11 LEU 110 15.649 -8.221 8.006 907 HD12 LEU 110 HD12 LEU 110 15.917 -6.489 7.813 908 HD13 LEU 110 HD13 LEU 110 16.976 -7.433 8.860 909 HD21 LEU 110 HD21 LEU 110 18.529 -6.378 5.623 910 HD22 LEU 110 HD22 LEU 110 17.214 -5.599 6.505 911 HD23 LEU 110 HD23 LEU 110 16.869 -6.532 5.048 912 H LEU 111 H LEU 111 19.842 -9.979 5.250 913 HA LEU 111 HA LEU 111 17.656 -10.822 3.711 914 HB2 LEU 111 HB2 LEU 111 20.616 -11.189 3.286 915 HB3 LEU 111 HB3 LEU 111 19.392 -11.567 2.075 916 HG LEU 111 HG LEU 111 20.065 -8.845 3.186 917 HD11 LEU 111 HD11 LEU 111 20.415 -8.537 0.615 918 HD12 LEU 111 HD12 LEU 111 20.629 -10.287 0.637 919 HD13 LEU 111 HD13 LEU 111 21.682 -9.258 1.608 920 HD21 LEU 111 HD21 LEU 111 17.697 -8.919 2.858 921 HD22 LEU 111 HD22 LEU 111 17.885 -9.711 1.293 922 HD23 LEU 111 HD23 LEU 111 18.408 -8.040 1.504 923 H ILE 112 H ILE 112 19.987 -12.605 5.620 924 HA ILE 112 HA ILE 112 19.508 -15.177 4.597 925 HB ILE 112 HB ILE 112 20.460 -14.235 7.292 926 HG12 ILE 112 HG12 ILE 112 22.019 -15.882 5.336 927 HG13 ILE 112 HG13 ILE 112 21.807 -14.161 5.033 928 HG21 ILE 112 HG21 ILE 112 20.045 -17.057 6.331 929 HG22 ILE 112 HG22 ILE 112 21.099 -16.636 7.680 930 HG23 ILE 112 HG23 ILE 112 19.372 -16.292 7.770 931 HD11 ILE 112 HD11 ILE 112 22.787 -15.056 7.696 932 HD12 ILE 112 HD12 ILE 112 23.892 -15.033 6.321 933 HD13 ILE 112 HD13 ILE 112 23.087 -13.549 6.831 934 H SER 113 H SER 113 17.791 -13.236 6.953 935 HA SER 113 HA SER 113 16.196 -15.290 8.056 936 HB2 SER 113 HB2 SER 113 15.306 -13.632 9.313 937 HB3 SER 113 HB3 SER 113 16.568 -12.630 8.597 938 HG SER 113 HG SER 113 15.128 -11.677 7.346 939 H MET 114 H MET 114 15.931 -13.363 5.158 940 HA MET 114 HA MET 114 13.257 -14.416 4.613 941 HB2 MET 114 HB2 MET 114 14.826 -12.480 2.915 942 HB3 MET 114 HB3 MET 114 13.094 -12.784 2.883 943 HG2 MET 114 HG2 MET 114 12.785 -11.130 4.308 944 HG3 MET 114 HG3 MET 114 13.750 -11.988 5.507 945 HE1 MET 114 HE1 MET 114 14.180 -8.348 5.450 946 HE2 MET 114 HE2 MET 114 14.302 -8.147 3.703 947 HE3 MET 114 HE3 MET 114 12.977 -9.085 4.392 948 H GLU 115 H GLU 115 16.361 -15.381 4.170 949 HA GLU 115 HA GLU 115 17.362 -16.955 2.868 950 HB2 GLU 115 HB2 GLU 115 14.621 -17.553 1.757 951 HB3 GLU 115 HB3 GLU 115 16.009 -18.630 1.826 952 HG2 GLU 115 HG2 GLU 115 15.864 -18.600 4.290 953 HG3 GLU 115 HG3 GLU 115 14.410 -17.612 4.163 954 H LEU 116 H LEU 116 17.526 -14.419 1.912 955 HA LEU 116 HA LEU 116 16.963 -14.605 -0.963 956 HB2 LEU 116 HB2 LEU 116 17.348 -12.356 0.943 957 HB3 LEU 116 HB3 LEU 116 17.816 -12.109 -0.738 958 HG LEU 116 HG LEU 116 15.519 -11.305 -0.121 959 HD11 LEU 116 HD11 LEU 116 15.174 -11.458 -2.303 960 HD12 LEU 116 HD12 LEU 116 14.747 -13.160 -2.134 961 HD13 LEU 116 HD13 LEU 116 16.425 -12.697 -2.411 962 HD21 LEU 116 HD21 LEU 116 13.836 -12.714 0.502 963 HD22 LEU 116 HD22 LEU 116 15.202 -13.538 1.256 964 HD23 LEU 116 HD23 LEU 116 14.564 -14.115 -0.285 965 H ALA 117 H ALA 117 18.602 -14.043 -2.489 966 HA ALA 117 HA ALA 117 21.262 -14.856 -1.600 967 HB1 ALA 117 HB1 ALA 117 21.462 -15.827 -3.591 968 HB2 ALA 117 HB2 ALA 117 19.764 -15.436 -3.864 969 HB3 ALA 117 HB3 ALA 117 21.024 -14.342 -4.436 970 H LEU 118 H LEU 118 23.163 -13.707 -2.403 971 HA LEU 118 HA LEU 118 22.667 -10.813 -2.657 972 HB2 LEU 118 HB2 LEU 118 24.646 -12.366 -1.071 973 HB3 LEU 118 HB3 LEU 118 25.140 -10.802 -1.717 974 HG LEU 118 HG LEU 118 22.668 -11.110 -0.037 975 HD11 LEU 118 HD11 LEU 118 25.338 -10.300 1.061 976 HD12 LEU 118 HD12 LEU 118 24.796 -11.978 1.087 977 HD13 LEU 118 HD13 LEU 118 23.868 -10.739 1.931 978 HD21 LEU 118 HD21 LEU 118 22.534 -9.010 -0.871 979 HD22 LEU 118 HD22 LEU 118 24.270 -8.894 -1.163 980 HD23 LEU 118 HD23 LEU 118 23.632 -8.668 0.467 981 H GLU 119 H GLU 119 23.547 -9.770 -4.342 982 HA GLU 119 HA GLU 119 25.842 -10.820 -5.743 983 HB2 GLU 119 HB2 GLU 119 24.526 -10.704 -7.963 984 HB3 GLU 119 HB3 GLU 119 24.342 -12.131 -6.954 985 HG2 GLU 119 HG2 GLU 119 22.196 -11.599 -6.347 986 HG3 GLU 119 HG3 GLU 119 22.429 -9.875 -6.628 987 HA PRO 120 HA PRO 120 26.541 -6.582 -6.636 988 HB2 PRO 120 HB2 PRO 120 27.822 -6.719 -9.026 989 HB3 PRO 120 HB3 PRO 120 28.574 -7.211 -7.503 990 HG2 PRO 120 HG2 PRO 120 27.296 -8.901 -9.618 991 HG3 PRO 120 HG3 PRO 120 28.801 -9.178 -8.722 992 HD2 PRO 120 HD2 PRO 120 26.478 -10.415 -8.086 993 HD3 PRO 120 HD3 PRO 120 27.696 -9.986 -6.867 994 H SER 121 H SER 121 26.201 -4.858 -8.294 995 HA SER 121 HA SER 121 23.748 -5.406 -9.827 996 HB2 SER 121 HB2 SER 121 23.729 -3.710 -7.886 997 HB3 SER 121 HB3 SER 121 24.654 -2.665 -8.964 998 HG SER 121 HG SER 121 22.869 -2.210 -9.954 999 H ASP 122 H ASP 122 23.540 -3.453 -11.555 1000 HA ASP 122 HA ASP 122 25.663 -3.970 -13.432 1001 HB2 ASP 122 HB2 ASP 122 23.356 -3.916 -14.215 1002 HB3 ASP 122 HB3 ASP 122 23.182 -2.254 -13.658 1003 H ASP 123 H ASP 123 24.828 -1.478 -11.208 1004 HA ASP 123 HA ASP 123 26.310 0.618 -12.486 1005 HB2 ASP 123 HB2 ASP 123 24.919 0.277 -9.864 1006 HB3 ASP 123 HB3 ASP 123 26.092 1.580 -10.032 1007 H PHE 124 H PHE 124 27.207 -2.130 -10.812 1008 HA PHE 124 HA PHE 124 29.599 -0.972 -9.621 1009 HB2 PHE 124 HB2 PHE 124 28.125 -2.844 -8.588 1010 HB3 PHE 124 HB3 PHE 124 28.974 -3.911 -9.702 1011 HD1 PHE 124 HD1 PHE 124 31.644 -3.457 -9.678 1012 HD2 PHE 124 HD2 PHE 124 28.947 -2.761 -6.459 1013 HE1 PHE 124 HE1 PHE 124 33.507 -3.643 -8.081 1014 HE2 PHE 124 HE2 PHE 124 30.805 -2.944 -4.858 1015 HZ PHE 124 HZ PHE 124 33.089 -3.385 -5.667 1016 H ASN 125 H ASN 125 31.192 -0.535 -11.007 1017 HA ASN 125 HA ASN 125 31.662 -2.295 -13.289 1018 HB2 ASN 125 HB2 ASN 125 32.811 0.400 -12.541 1019 HB3 ASN 125 HB3 ASN 125 33.305 -0.515 -13.963 1020 HD21 ASN 125 HD21 ASN 125 32.272 -0.104 -15.775 1021 HD22 ASN 125 HD22 ASN 125 30.723 0.650 -15.913 1022 H ASP 126 H ASP 126 33.941 -0.552 -11.189 1023 HA ASP 126 HA ASP 126 35.129 -2.832 -10.048 1024 HB2 ASP 126 HB2 ASP 126 35.781 -2.852 -12.622 1025 HB3 ASP 126 HB3 ASP 126 36.998 -1.700 -12.079 1026 H GLU 127 H GLU 127 37.531 -2.203 -9.341 1027 HA GLU 127 HA GLU 127 38.805 -0.867 -8.012 1028 HB2 GLU 127 HB2 GLU 127 38.626 0.508 -10.237 1029 HB3 GLU 127 HB3 GLU 127 37.615 1.575 -9.272 1030 HG2 GLU 127 HG2 GLU 127 40.364 0.762 -8.392 1031 HG3 GLU 127 HG3 GLU 127 40.083 2.142 -9.452 1032 HA PRO 128 HA PRO 128 35.040 -0.023 -5.386 1033 HB2 PRO 128 HB2 PRO 128 35.719 -1.757 -3.410 1034 HB3 PRO 128 HB3 PRO 128 34.789 -2.239 -4.834 1035 HG2 PRO 128 HG2 PRO 128 37.713 -2.568 -4.280 1036 HG3 PRO 128 HG3 PRO 128 36.572 -3.724 -4.992 1037 HD2 PRO 128 HD2 PRO 128 38.290 -2.263 -6.490 1038 HD3 PRO 128 HD3 PRO 128 36.685 -2.745 -7.076 1039 H VAL 129 H VAL 129 34.981 0.998 -3.313 1040 HA VAL 129 HA VAL 129 36.996 2.832 -2.813 1041 HB VAL 129 HB VAL 129 34.744 3.143 -1.953 1042 HG11 VAL 129 HG11 VAL 129 33.662 1.474 -0.968 1043 HG12 VAL 129 HG12 VAL 129 35.143 0.515 -0.911 1044 HG13 VAL 129 HG13 VAL 129 34.748 1.609 0.415 1045 HG21 VAL 129 HG21 VAL 129 36.119 3.050 0.623 1046 HG22 VAL 129 HG22 VAL 129 37.066 3.803 -0.660 1047 HG23 VAL 129 HG23 VAL 129 35.465 4.427 -0.264 1048 H LYS 130 H LYS 130 38.756 2.921 -1.495 1049 HA LYS 130 HA LYS 130 40.041 0.495 -0.803 1050 HB2 LYS 130 HB2 LYS 130 40.686 3.326 0.045 1051 HB3 LYS 130 HB3 LYS 130 41.757 1.942 0.222 1052 HG2 LYS 130 HG2 LYS 130 41.568 1.690 -2.310 1053 HG3 LYS 130 HG3 LYS 130 40.873 3.313 -2.294 1054 HD2 LYS 130 HD2 LYS 130 43.075 3.844 -2.589 1055 HD3 LYS 130 HD3 LYS 130 43.015 3.823 -0.825 1056 HE2 LYS 130 HE2 LYS 130 44.168 1.845 -0.676 1057 HE3 LYS 130 HE3 LYS 130 43.633 1.289 -2.261 1058 HZ1 LYS 130 HZ1 LYS 130 45.195 2.632 -3.334 1059 HZ2 LYS 130 HZ2 LYS 130 46.046 1.969 -2.032 1060 HZ3 LYS 130 HZ3 LYS 130 45.494 3.567 -1.955 1061 H LEU 131 H LEU 131 38.950 -0.723 0.675 1062 HA LEU 131 HA LEU 131 37.792 0.368 3.046 1063 HB2 LEU 131 HB2 LEU 131 38.184 -2.331 1.887 1064 HB3 LEU 131 HB3 LEU 131 37.934 -2.233 3.629 1065 HG LEU 131 HG LEU 131 35.844 -2.690 2.493 1066 HD11 LEU 131 HD11 LEU 131 35.815 0.165 3.444 1067 HD12 LEU 131 HD12 LEU 131 35.921 -1.224 4.525 1068 HD13 LEU 131 HD13 LEU 131 34.501 -1.010 3.502 1069 HD21 LEU 131 HD21 LEU 131 34.857 -0.973 0.996 1070 HD22 LEU 131 HD22 LEU 131 36.286 -1.758 0.323 1071 HD23 LEU 131 HD23 LEU 131 36.408 -0.132 0.999 1072 H SER 132 H SER 132 40.847 -1.162 2.241 1073 HA SER 132 HA SER 132 41.699 -0.960 5.043 1074 HB2 SER 132 HB2 SER 132 42.017 -3.154 3.979 1075 HB3 SER 132 HB3 SER 132 43.000 -2.405 2.720 1076 HG SER 132 HG SER 132 43.730 -3.226 5.172 1077 H ALA 133 H ALA 133 41.462 1.456 3.805 1078 HA ALA 133 HA ALA 133 42.567 3.365 3.219 1079 HB1 ALA 133 HB1 ALA 133 44.183 3.949 4.699 1080 HB2 ALA 133 HB2 ALA 133 43.613 2.488 5.507 1081 HB3 ALA 133 HB3 ALA 133 45.065 2.433 4.507 Start of MODEL 5 1 H MET 1 H MET 1 0.650 0.557 -1.121 2 HA MET 1 HA MET 1 1.275 -0.474 -3.649 3 HB2 MET 1 HB2 MET 1 2.381 1.703 -1.932 4 HB3 MET 1 HB3 MET 1 3.296 1.207 -3.349 5 HG2 MET 1 HG2 MET 1 2.045 2.872 -4.254 6 HG3 MET 1 HG3 MET 1 0.976 1.501 -4.543 7 HE1 MET 1 HE1 MET 1 -1.082 1.715 -4.494 8 HE2 MET 1 HE2 MET 1 -2.142 2.319 -3.220 9 HE3 MET 1 HE3 MET 1 -1.553 3.415 -4.471 10 H THR 2 H THR 2 1.838 -2.690 -3.105 11 HA THR 2 HA THR 2 4.251 -3.242 -1.658 12 HB THR 2 HB THR 2 3.943 -5.569 -2.438 13 HG1 THR 2 HG1 THR 2 2.027 -6.004 -3.680 14 HG21 THR 2 HG21 THR 2 1.265 -4.545 -1.549 15 HG22 THR 2 HG22 THR 2 2.664 -4.486 -0.477 16 HG23 THR 2 HG23 THR 2 2.090 -6.035 -1.093 17 H LEU 3 H LEU 3 6.110 -4.361 -2.592 18 HA LEU 3 HA LEU 3 7.204 -2.958 -4.776 19 HB2 LEU 3 HB2 LEU 3 8.203 -5.622 -3.826 20 HB3 LEU 3 HB3 LEU 3 9.124 -4.279 -4.500 21 HG LEU 3 HG LEU 3 7.864 -4.397 -1.761 22 HD11 LEU 3 HD11 LEU 3 10.644 -4.730 -2.802 23 HD12 LEU 3 HD12 LEU 3 9.775 -5.680 -1.598 24 HD13 LEU 3 HD13 LEU 3 10.375 -4.074 -1.187 25 HD21 LEU 3 HD21 LEU 3 7.710 -2.152 -2.309 26 HD22 LEU 3 HD22 LEU 3 9.175 -2.184 -3.291 27 HD23 LEU 3 HD23 LEU 3 9.290 -2.248 -1.531 28 HA PRO 4 HA PRO 4 5.871 -5.194 -8.312 29 HB2 PRO 4 HB2 PRO 4 8.050 -4.982 -9.918 30 HB3 PRO 4 HB3 PRO 4 6.975 -3.622 -9.573 31 HG2 PRO 4 HG2 PRO 4 9.619 -4.304 -8.347 32 HG3 PRO 4 HG3 PRO 4 9.002 -2.726 -8.867 33 HD2 PRO 4 HD2 PRO 4 9.003 -3.507 -6.275 34 HD3 PRO 4 HD3 PRO 4 7.754 -2.441 -6.950 35 H SER 5 H SER 5 8.660 -6.197 -6.548 36 HA SER 5 HA SER 5 9.177 -8.574 -8.069 37 HB2 SER 5 HB2 SER 5 10.358 -9.041 -5.655 38 HB3 SER 5 HB3 SER 5 11.108 -8.133 -6.968 39 HG SER 5 HG SER 5 10.014 -7.236 -4.574 40 H GLY 6 H GLY 6 6.978 -7.680 -5.593 41 HA2 GLY 6 HA2 GLY 6 5.068 -9.128 -5.221 42 HA3 GLY 6 HA3 GLY 6 6.154 -10.503 -5.353 43 H HIS 7 H HIS 7 7.757 -8.190 -3.638 44 HA HIS 7 HA HIS 7 7.133 -9.533 -1.119 45 HB2 HIS 7 HB2 HIS 7 9.498 -8.344 -2.286 46 HB3 HIS 7 HB3 HIS 7 9.192 -7.681 -0.683 47 HD1 HIS 7 HD1 HIS 7 8.384 -11.246 -1.552 48 HD2 HIS 7 HD2 HIS 7 11.247 -9.083 0.543 49 HE1 HIS 7 HE1 HIS 7 9.722 -12.955 -0.282 50 HA PRO 8 HA PRO 8 4.731 -6.159 0.385 51 HB2 PRO 8 HB2 PRO 8 4.917 -6.683 3.043 52 HB3 PRO 8 HB3 PRO 8 3.916 -7.638 1.943 53 HG2 PRO 8 HG2 PRO 8 6.650 -8.227 3.009 54 HG3 PRO 8 HG3 PRO 8 5.263 -9.316 2.825 55 HD2 PRO 8 HD2 PRO 8 7.318 -9.265 1.063 56 HD3 PRO 8 HD3 PRO 8 5.652 -9.636 0.576 57 H LYS 9 H LYS 9 5.329 -4.099 0.534 58 HA LYS 9 HA LYS 9 7.960 -3.306 1.258 59 HB2 LYS 9 HB2 LYS 9 7.010 -0.983 1.085 60 HB3 LYS 9 HB3 LYS 9 6.797 -1.980 -0.348 61 HG2 LYS 9 HG2 LYS 9 4.569 -1.910 -0.209 62 HG3 LYS 9 HG3 LYS 9 4.574 -2.139 1.542 63 HD2 LYS 9 HD2 LYS 9 5.291 0.266 1.743 64 HD3 LYS 9 HD3 LYS 9 4.975 0.427 0.013 65 HE2 LYS 9 HE2 LYS 9 2.645 -0.355 0.443 66 HE3 LYS 9 HE3 LYS 9 2.998 -0.303 2.170 67 HZ1 LYS 9 HZ1 LYS 9 2.826 1.913 2.215 68 HZ2 LYS 9 HZ2 LYS 9 1.988 1.744 0.756 69 HZ3 LYS 9 HZ3 LYS 9 3.636 2.126 0.746 70 H SER 10 H SER 10 4.896 -3.444 2.949 71 HA SER 10 HA SER 10 5.621 -1.849 5.168 72 HB2 SER 10 HB2 SER 10 3.688 -2.884 6.289 73 HB3 SER 10 HB3 SER 10 3.282 -2.384 4.647 74 HG SER 10 HG SER 10 3.117 -4.428 4.042 75 H ARG 11 H ARG 11 6.065 -5.238 4.400 76 HA ARG 11 HA ARG 11 6.932 -5.968 7.040 77 HB2 ARG 11 HB2 ARG 11 5.920 -7.437 5.087 78 HB3 ARG 11 HB3 ARG 11 7.611 -7.604 4.637 79 HG2 ARG 11 HG2 ARG 11 7.387 -9.419 5.986 80 HG3 ARG 11 HG3 ARG 11 7.873 -8.220 7.186 81 HD2 ARG 11 HD2 ARG 11 5.728 -8.017 8.040 82 HD3 ARG 11 HD3 ARG 11 4.978 -8.644 6.573 83 HE ARG 11 HE ARG 11 6.576 -10.637 7.778 84 HH11 ARG 11 HH11 ARG 11 3.563 -8.941 8.181 85 HH12 ARG 11 HH12 ARG 11 2.794 -10.240 9.031 86 HH21 ARG 11 HH21 ARG 11 5.575 -12.355 8.897 87 HH22 ARG 11 HH22 ARG 11 3.940 -12.181 9.439 88 H LEU 12 H LEU 12 8.457 -4.981 4.041 89 HA LEU 12 HA LEU 12 11.117 -5.647 4.844 90 HB2 LEU 12 HB2 LEU 12 9.812 -4.354 2.561 91 HB3 LEU 12 HB3 LEU 12 11.420 -3.731 2.925 92 HG LEU 12 HG LEU 12 12.217 -6.141 2.824 93 HD11 LEU 12 HD11 LEU 12 9.897 -6.767 1.106 94 HD12 LEU 12 HD12 LEU 12 9.627 -6.812 2.848 95 HD13 LEU 12 HD13 LEU 12 10.878 -7.822 2.123 96 HD21 LEU 12 HD21 LEU 12 12.866 -5.751 0.711 97 HD22 LEU 12 HD22 LEU 12 12.045 -4.205 0.927 98 HD23 LEU 12 HD23 LEU 12 11.214 -5.543 0.132 99 H ILE 13 H ILE 13 9.298 -2.597 4.643 100 HA ILE 13 HA ILE 13 11.278 -0.866 5.526 101 HB ILE 13 HB ILE 13 8.290 -0.750 5.902 102 HG12 ILE 13 HG12 ILE 13 9.197 -0.607 3.588 103 HG13 ILE 13 HG13 ILE 13 8.366 0.860 4.094 104 HG21 ILE 13 HG21 ILE 13 9.110 1.822 6.171 105 HG22 ILE 13 HG22 ILE 13 8.723 0.750 7.516 106 HG23 ILE 13 HG23 ILE 13 10.399 0.961 7.011 107 HD11 ILE 13 HD11 ILE 13 11.342 0.438 3.996 108 HD12 ILE 13 HD12 ILE 13 10.376 1.411 2.887 109 HD13 ILE 13 HD13 ILE 13 10.538 1.896 4.574 110 H LYS 14 H LYS 14 8.967 -2.777 7.413 111 HA LYS 14 HA LYS 14 9.747 -1.762 9.942 112 HB2 LYS 14 HB2 LYS 14 8.251 -4.212 9.049 113 HB3 LYS 14 HB3 LYS 14 8.661 -3.971 10.743 114 HG2 LYS 14 HG2 LYS 14 7.264 -1.798 9.256 115 HG3 LYS 14 HG3 LYS 14 6.351 -3.201 9.815 116 HD2 LYS 14 HD2 LYS 14 6.738 -2.723 12.049 117 HD3 LYS 14 HD3 LYS 14 8.169 -1.751 11.697 118 HE2 LYS 14 HE2 LYS 14 6.393 -0.248 10.441 119 HE3 LYS 14 HE3 LYS 14 5.288 -1.019 11.578 120 HZ1 LYS 14 HZ1 LYS 14 6.264 1.118 12.355 121 HZ2 LYS 14 HZ2 LYS 14 7.778 0.365 12.401 122 HZ3 LYS 14 HZ3 LYS 14 6.530 -0.185 13.402 123 H LYS 15 H LYS 15 10.873 -4.414 7.943 124 HA LYS 15 HA LYS 15 12.491 -5.640 9.941 125 HB2 LYS 15 HB2 LYS 15 12.279 -5.858 6.960 126 HB3 LYS 15 HB3 LYS 15 13.636 -6.604 7.792 127 HG2 LYS 15 HG2 LYS 15 12.312 -8.153 8.854 128 HG3 LYS 15 HG3 LYS 15 10.864 -7.149 8.743 129 HD2 LYS 15 HD2 LYS 15 10.265 -8.357 6.971 130 HD3 LYS 15 HD3 LYS 15 11.619 -7.635 6.100 131 HE2 LYS 15 HE2 LYS 15 11.670 -10.076 5.971 132 HE3 LYS 15 HE3 LYS 15 13.073 -9.447 6.834 133 HZ1 LYS 15 HZ1 LYS 15 10.652 -10.377 8.256 134 HZ2 LYS 15 HZ2 LYS 15 12.206 -10.137 8.877 135 HZ3 LYS 15 HZ3 LYS 15 11.903 -11.436 7.837 136 H PHE 16 H PHE 16 13.222 -3.474 7.215 137 HA PHE 16 HA PHE 16 15.976 -3.282 7.629 138 HB2 PHE 16 HB2 PHE 16 14.007 -1.335 6.425 139 HB3 PHE 16 HB3 PHE 16 15.747 -1.063 6.420 140 HD1 PHE 16 HD2 PHE 16 17.063 -3.327 5.617 141 HD2 PHE 16 HD1 PHE 16 13.154 -2.108 4.455 142 HE1 PHE 16 HE2 PHE 16 17.265 -4.656 3.557 143 HE2 PHE 16 HE1 PHE 16 13.349 -3.436 2.393 144 HZ PHE 16 HZ PHE 16 15.407 -4.711 1.941 145 H THR 17 H THR 17 13.322 -1.806 9.296 146 HA THR 17 HA THR 17 14.623 0.391 10.457 147 HB THR 17 HB THR 17 12.362 -1.262 11.601 148 HG1 THR 17 HG1 THR 17 11.057 0.310 10.607 149 HG21 THR 17 HG21 THR 17 13.404 1.481 12.304 150 HG22 THR 17 HG22 THR 17 13.305 0.066 13.353 151 HG23 THR 17 HG23 THR 17 11.831 0.870 12.814 152 H ALA 18 H ALA 18 14.873 -2.980 11.086 153 HA ALA 18 HA ALA 18 15.882 -2.710 13.771 154 HB1 ALA 18 HB1 ALA 18 14.715 -4.755 12.493 155 HB2 ALA 18 HB2 ALA 18 16.408 -5.193 12.261 156 HB3 ALA 18 HB3 ALA 18 15.771 -4.965 13.890 157 H LEU 19 H LEU 19 17.163 -2.117 10.756 158 HA LEU 19 HA LEU 19 19.896 -2.816 11.569 159 HB2 LEU 19 HB2 LEU 19 18.905 -1.920 8.868 160 HB3 LEU 19 HB3 LEU 19 20.513 -2.531 9.252 161 HG LEU 19 HG LEU 19 17.932 -4.088 9.208 162 HD11 LEU 19 HD11 LEU 19 19.382 -5.426 7.548 163 HD12 LEU 19 HD12 LEU 19 20.364 -3.964 7.468 164 HD13 LEU 19 HD13 LEU 19 18.661 -3.908 7.014 165 HD21 LEU 19 HD21 LEU 19 19.002 -5.118 10.961 166 HD22 LEU 19 HD22 LEU 19 20.611 -4.722 10.357 167 HD23 LEU 19 HD23 LEU 19 19.672 -6.006 9.592 168 H GLY 20 H GLY 20 17.898 -0.316 11.948 169 HA2 GLY 20 HA2 GLY 20 19.731 1.552 12.743 170 HA3 GLY 20 HA3 GLY 20 19.520 1.867 11.027 171 HA PRO 21 HA PRO 21 16.372 4.455 13.100 172 HB2 PRO 21 HB2 PRO 21 16.471 6.428 11.238 173 HB3 PRO 21 HB3 PRO 21 17.607 6.323 12.588 174 HG2 PRO 21 HG2 PRO 21 17.963 5.469 9.741 175 HG3 PRO 21 HG3 PRO 21 19.097 6.324 10.802 176 HD2 PRO 21 HD2 PRO 21 19.278 3.666 10.318 177 HD3 PRO 21 HD3 PRO 21 19.756 4.389 11.868 178 H TYR 22 H TYR 22 14.321 5.362 12.221 179 HA TYR 22 HA TYR 22 12.916 3.436 10.741 180 HB2 TYR 22 HB2 TYR 22 12.131 6.321 11.198 181 HB3 TYR 22 HB3 TYR 22 11.050 4.993 10.792 182 HD1 TYR 22 HD2 TYR 22 11.024 2.998 12.482 183 HD2 TYR 22 HD1 TYR 22 12.431 6.901 13.424 184 HE1 TYR 22 HE2 TYR 22 10.684 2.537 14.874 185 HE2 TYR 22 HE1 TYR 22 12.095 6.451 15.818 186 HH TYR 22 HH TYR 22 10.276 3.926 16.976 187 H ILE 23 H ILE 23 12.615 3.137 8.628 188 HA ILE 23 HA ILE 23 14.047 4.758 6.743 189 HB ILE 23 HB ILE 23 12.148 2.452 6.296 190 HG12 ILE 23 HG12 ILE 23 14.484 1.416 5.653 191 HG13 ILE 23 HG13 ILE 23 15.105 2.688 6.698 192 HG21 ILE 23 HG21 ILE 23 12.112 3.497 4.248 193 HG22 ILE 23 HG22 ILE 23 13.746 4.135 4.425 194 HG23 ILE 23 HG23 ILE 23 13.501 2.427 4.060 195 HD11 ILE 23 HD11 ILE 23 12.977 0.790 7.615 196 HD12 ILE 23 HD12 ILE 23 14.695 0.409 7.737 197 HD13 ILE 23 HD13 ILE 23 14.040 1.810 8.583 198 H ARG 24 H ARG 24 13.272 6.196 5.270 199 HA ARG 24 HA ARG 24 10.645 7.292 5.780 200 HB2 ARG 24 HB2 ARG 24 12.899 8.540 5.240 201 HB3 ARG 24 HB3 ARG 24 12.416 8.258 3.573 202 HG2 ARG 24 HG2 ARG 24 10.427 9.524 3.845 203 HG3 ARG 24 HG3 ARG 24 10.646 9.605 5.594 204 HD2 ARG 24 HD2 ARG 24 12.549 10.802 3.587 205 HD3 ARG 24 HD3 ARG 24 11.253 11.698 4.379 206 HE ARG 24 HE ARG 24 12.858 10.446 6.323 207 HH11 ARG 24 HH11 ARG 24 12.943 13.052 4.017 208 HH12 ARG 24 HH12 ARG 24 14.078 13.994 4.927 209 HH21 ARG 24 HH21 ARG 24 14.353 11.676 7.530 210 HH22 ARG 24 HH22 ARG 24 14.880 13.210 6.924 211 H GLU 25 H GLU 25 8.914 6.441 4.841 212 HA GLU 25 HA GLU 25 8.858 4.634 2.755 213 HB2 GLU 25 HB2 GLU 25 6.802 6.551 3.816 214 HB3 GLU 25 HB3 GLU 25 6.438 5.510 2.447 215 HG2 GLU 25 HG2 GLU 25 6.638 3.564 3.721 216 HG3 GLU 25 HG3 GLU 25 7.491 4.396 5.019 217 H GLY 26 H GLY 26 8.223 8.140 2.564 218 HA2 GLY 26 HA2 GLY 26 8.966 9.554 0.830 219 HA3 GLY 26 HA3 GLY 26 9.293 8.136 -0.155 220 H GLN 27 H GLN 27 8.158 8.556 -1.966 221 HA GLN 27 HA GLN 27 5.331 8.253 -1.909 222 HB2 GLN 27 HB2 GLN 27 4.743 10.445 -2.881 223 HB3 GLN 27 HB3 GLN 27 5.371 10.586 -1.244 224 HG2 GLN 27 HG2 GLN 27 7.610 11.110 -2.285 225 HG3 GLN 27 HG3 GLN 27 6.757 11.251 -3.821 226 HE21 GLN 27 HE21 GLN 27 5.092 12.862 -3.993 227 HE22 GLN 27 HE22 GLN 27 5.182 14.298 -3.036 228 H CYS 28 H CYS 28 4.502 9.051 -4.282 229 HA CYS 28 HA CYS 28 4.519 8.577 -6.505 230 HB2 CYS 28 HB2 CYS 28 6.613 10.098 -6.262 231 HB3 CYS 28 HB3 CYS 28 7.523 8.608 -6.476 232 HG CYS 28 HG CYS 28 7.628 9.547 -8.966 233 H GLU 29 H GLU 29 4.656 6.434 -4.528 234 HA GLU 29 HA GLU 29 5.163 4.200 -4.315 235 HB2 GLU 29 HB2 GLU 29 4.370 2.889 -6.208 236 HB3 GLU 29 HB3 GLU 29 3.294 4.247 -5.911 237 HG2 GLU 29 HG2 GLU 29 4.024 5.397 -7.803 238 HG3 GLU 29 HG3 GLU 29 5.480 4.414 -7.949 239 H ASP 30 H ASP 30 7.515 5.644 -4.633 240 HA ASP 30 HA ASP 30 9.236 4.905 -6.663 241 HB2 ASP 30 HB2 ASP 30 11.062 5.199 -4.923 242 HB3 ASP 30 HB3 ASP 30 9.963 6.561 -5.123 243 H ASN 31 H ASN 31 10.978 3.337 -6.704 244 HA ASN 31 HA ASN 31 10.191 0.807 -5.420 245 HB2 ASN 31 HB2 ASN 31 11.813 1.171 -7.947 246 HB3 ASN 31 HB3 ASN 31 11.217 -0.350 -7.290 247 HD21 ASN 31 HD21 ASN 31 8.660 0.240 -6.627 248 HD22 ASN 31 HD22 ASN 31 7.756 0.650 -8.041 249 H ARG 32 H ARG 32 11.927 2.950 -4.325 250 HA ARG 32 HA ARG 32 14.267 1.263 -3.779 251 HB2 ARG 32 HB2 ARG 32 15.748 3.191 -3.857 252 HB3 ARG 32 HB3 ARG 32 14.935 2.990 -5.402 253 HG2 ARG 32 HG2 ARG 32 13.276 4.727 -4.597 254 HG3 ARG 32 HG3 ARG 32 14.407 5.045 -3.281 255 HD2 ARG 32 HD2 ARG 32 14.840 6.620 -5.026 256 HD3 ARG 32 HD3 ARG 32 16.170 5.463 -4.993 257 HE ARG 32 HE ARG 32 14.289 4.548 -6.835 258 HH11 ARG 32 HH11 ARG 32 16.468 7.231 -6.419 259 HH12 ARG 32 HH12 ARG 32 16.692 7.481 -8.119 260 HH21 ARG 32 HH21 ARG 32 14.576 4.867 -9.075 261 HH22 ARG 32 HH22 ARG 32 15.615 6.137 -9.629 262 H PHE 33 H PHE 33 15.387 1.854 -1.766 263 HA PHE 33 HA PHE 33 13.483 2.924 0.208 264 HB2 PHE 33 HB2 PHE 33 15.655 0.845 0.461 265 HB3 PHE 33 HB3 PHE 33 14.884 1.585 1.860 266 HD1 PHE 33 HD1 PHE 33 12.197 1.578 1.664 267 HD2 PHE 33 HD2 PHE 33 14.845 -1.190 -0.191 268 HE1 PHE 33 HE1 PHE 33 10.377 -0.073 1.537 269 HE2 PHE 33 HE2 PHE 33 13.030 -2.845 -0.322 270 HZ PHE 33 HZ PHE 33 10.792 -2.288 0.542 271 H PHE 34 H PHE 34 14.064 4.577 1.506 272 HA PHE 34 HA PHE 34 16.615 5.872 0.937 273 HB2 PHE 34 HB2 PHE 34 14.351 7.079 0.927 274 HB3 PHE 34 HB3 PHE 34 14.418 6.969 2.683 275 HD1 PHE 34 HD1 PHE 34 17.048 7.711 0.150 276 HD2 PHE 34 HD2 PHE 34 14.820 9.077 3.510 277 HE1 PHE 34 HE1 PHE 34 18.416 9.755 0.222 278 HE2 PHE 34 HE2 PHE 34 16.184 11.124 3.586 279 HZ PHE 34 HZ PHE 34 17.985 11.465 1.941 280 H PHE 35 H PHE 35 18.100 6.463 2.528 281 HA PHE 35 HA PHE 35 17.679 5.534 5.254 282 HB2 PHE 35 HB2 PHE 35 19.897 4.501 3.480 283 HB3 PHE 35 HB3 PHE 35 19.891 4.335 5.232 284 HD1 PHE 35 HD1 PHE 35 17.952 3.081 6.299 285 HD2 PHE 35 HD2 PHE 35 18.809 2.949 2.132 286 HE1 PHE 35 HE1 PHE 35 16.641 1.009 6.099 287 HE2 PHE 35 HE2 PHE 35 17.498 0.877 1.925 288 HZ PHE 35 HZ PHE 35 16.413 -0.097 3.910 289 H ASP 36 H ASP 36 18.773 6.713 6.752 290 HA ASP 36 HA ASP 36 20.434 8.908 5.715 291 HB2 ASP 36 HB2 ASP 36 19.881 10.053 7.862 292 HB3 ASP 36 HB3 ASP 36 18.469 9.708 6.868 293 H CYS 37 H CYS 37 22.540 8.581 5.933 294 HA CYS 37 HA CYS 37 23.507 7.003 8.215 295 HB2 CYS 37 HB2 CYS 37 24.690 7.589 5.506 296 HB3 CYS 37 HB3 CYS 37 25.656 6.931 6.821 297 HG CYS 37 HG CYS 37 25.194 4.645 5.601 298 H LEU 38 H LEU 38 23.869 8.369 9.867 299 HA LEU 38 HA LEU 38 25.315 10.868 9.328 300 HB2 LEU 38 HB2 LEU 38 24.072 10.184 11.959 301 HB3 LEU 38 HB3 LEU 38 24.398 11.769 11.260 302 HG LEU 38 HG LEU 38 22.172 9.868 10.547 303 HD11 LEU 38 HD11 LEU 38 21.495 11.051 12.416 304 HD12 LEU 38 HD12 LEU 38 20.884 12.045 11.094 305 HD13 LEU 38 HD13 LEU 38 22.362 12.510 11.936 306 HD21 LEU 38 HD21 LEU 38 23.120 12.366 9.164 307 HD22 LEU 38 HD22 LEU 38 21.487 11.727 8.978 308 HD23 LEU 38 HD23 LEU 38 22.875 10.762 8.473 309 H ALA 39 H ALA 39 27.404 10.045 9.195 310 HA ALA 39 HA ALA 39 28.465 8.518 11.435 311 HB1 ALA 39 HB1 ALA 39 29.194 8.928 8.660 312 HB2 ALA 39 HB2 ALA 39 30.578 9.089 9.742 313 HB3 ALA 39 HB3 ALA 39 29.615 7.612 9.757 314 H VAL 40 H VAL 40 29.813 11.282 9.635 315 HA VAL 40 HA VAL 40 30.532 12.496 12.224 316 HB VAL 40 HB VAL 40 32.137 12.597 9.666 317 HG11 VAL 40 HG11 VAL 40 33.776 13.489 11.639 318 HG12 VAL 40 HG12 VAL 40 32.850 14.533 10.559 319 HG13 VAL 40 HG13 VAL 40 32.224 14.142 12.161 320 HG21 VAL 40 HG21 VAL 40 32.805 10.570 10.374 321 HG22 VAL 40 HG22 VAL 40 33.757 11.488 11.541 322 HG23 VAL 40 HG23 VAL 40 32.191 10.825 12.007 323 H CYS 41 H CYS 41 30.345 14.716 12.422 324 HA CYS 41 HA CYS 41 28.448 15.956 10.648 325 HB2 CYS 41 HB2 CYS 41 28.560 17.852 12.216 326 HB3 CYS 41 HB3 CYS 41 28.292 16.330 13.056 327 HG CYS 41 HG CYS 41 30.634 16.180 14.306 328 H VAL 42 H VAL 42 28.817 17.424 9.092 329 HA VAL 42 HA VAL 42 31.347 17.736 7.955 330 HB VAL 42 HB VAL 42 30.330 19.599 6.641 331 HG11 VAL 42 HG11 VAL 42 28.199 17.726 6.293 332 HG12 VAL 42 HG12 VAL 42 29.628 17.984 5.289 333 HG13 VAL 42 HG13 VAL 42 29.691 16.853 6.642 334 HG21 VAL 42 HG21 VAL 42 28.860 20.570 8.257 335 HG22 VAL 42 HG22 VAL 42 27.873 19.954 6.931 336 HG23 VAL 42 HG23 VAL 42 27.978 19.054 8.444 337 H ASN 43 H ASN 43 29.564 19.799 10.197 338 HA ASN 43 HA ASN 43 31.843 20.912 11.364 339 HB2 ASN 43 HB2 ASN 43 31.052 22.177 8.883 340 HB3 ASN 43 HB3 ASN 43 30.938 23.310 10.226 341 HD21 ASN 43 HD21 ASN 43 32.892 22.415 7.865 342 HD22 ASN 43 HD22 ASN 43 34.437 22.682 8.592 343 H VAL 44 H VAL 44 31.132 23.219 12.398 344 HA VAL 44 HA VAL 44 28.382 22.879 13.400 345 HB VAL 44 HB VAL 44 29.142 23.615 15.626 346 HG11 VAL 44 HG11 VAL 44 30.624 21.189 14.618 347 HG12 VAL 44 HG12 VAL 44 30.193 21.530 16.295 348 HG13 VAL 44 HG13 VAL 44 28.929 21.223 15.103 349 HG21 VAL 44 HG21 VAL 44 31.763 23.743 14.219 350 HG22 VAL 44 HG22 VAL 44 31.068 24.841 15.412 351 HG23 VAL 44 HG23 VAL 44 31.737 23.291 15.923 352 H LYS 45 H LYS 45 29.702 24.675 11.365 353 HA LYS 45 HA LYS 45 29.811 27.301 12.415 354 HB2 LYS 45 HB2 LYS 45 29.955 26.030 9.794 355 HB3 LYS 45 HB3 LYS 45 29.132 27.583 9.742 356 HG2 LYS 45 HG2 LYS 45 31.042 28.673 10.739 357 HG3 LYS 45 HG3 LYS 45 31.863 27.122 10.923 358 HD2 LYS 45 HD2 LYS 45 31.683 26.874 8.412 359 HD3 LYS 45 HD3 LYS 45 31.171 28.563 8.371 360 HE2 LYS 45 HE2 LYS 45 33.783 27.506 9.448 361 HE3 LYS 45 HE3 LYS 45 33.554 28.383 7.936 362 HZ1 LYS 45 HZ1 LYS 45 34.336 29.924 9.526 363 HZ2 LYS 45 HZ2 LYS 45 33.222 29.419 10.694 364 HZ3 LYS 45 HZ3 LYS 45 32.690 30.258 9.325 365 HA PRO 46 HA PRO 46 25.332 27.792 10.669 366 HB2 PRO 46 HB2 PRO 46 24.044 25.531 9.894 367 HB3 PRO 46 HB3 PRO 46 25.040 26.493 8.796 368 HG2 PRO 46 HG2 PRO 46 25.731 23.981 10.270 369 HG3 PRO 46 HG3 PRO 46 26.091 24.429 8.593 370 HD2 PRO 46 HD2 PRO 46 27.924 24.619 10.576 371 HD3 PRO 46 HD3 PRO 46 27.893 25.733 9.195 372 H ALA 47 H ALA 47 23.054 27.002 11.402 373 HA ALA 47 HA ALA 47 23.121 26.701 14.212 374 HB1 ALA 47 HB1 ALA 47 20.587 26.038 12.887 375 HB2 ALA 47 HB2 ALA 47 20.941 27.236 14.133 376 HB3 ALA 47 HB3 ALA 47 21.275 27.600 12.439 377 HA PRO 48 HA PRO 48 23.059 22.364 14.878 378 HB2 PRO 48 HB2 PRO 48 21.314 22.123 16.943 379 HB3 PRO 48 HB3 PRO 48 22.931 22.811 17.128 380 HG2 PRO 48 HG2 PRO 48 20.300 24.208 16.834 381 HG3 PRO 48 HG3 PRO 48 21.646 24.575 17.929 382 HD2 PRO 48 HD2 PRO 48 21.219 25.947 15.634 383 HD3 PRO 48 HD3 PRO 48 22.845 25.669 16.292 384 H GLU 49 H GLU 49 20.031 23.983 14.267 385 HA GLU 49 HA GLU 49 18.469 21.603 13.972 386 HB2 GLU 49 HB2 GLU 49 17.012 23.291 14.370 387 HB3 GLU 49 HB3 GLU 49 18.058 24.503 13.644 388 HG2 GLU 49 HG2 GLU 49 17.280 24.045 11.484 389 HG3 GLU 49 HG3 GLU 49 16.548 22.521 11.980 390 H LYS 50 H LYS 50 20.541 23.468 11.921 391 HA LYS 50 HA LYS 50 19.634 21.967 9.562 392 HB2 LYS 50 HB2 LYS 50 21.010 23.673 8.298 393 HB3 LYS 50 HB3 LYS 50 19.584 24.298 9.117 394 HG2 LYS 50 HG2 LYS 50 20.944 25.168 10.910 395 HG3 LYS 50 HG3 LYS 50 22.391 24.451 10.197 396 HD2 LYS 50 HD2 LYS 50 22.430 26.729 9.576 397 HD3 LYS 50 HD3 LYS 50 21.898 25.851 8.139 398 HE2 LYS 50 HE2 LYS 50 20.310 27.467 8.128 399 HE3 LYS 50 HE3 LYS 50 19.514 26.349 9.235 400 HZ1 LYS 50 HZ1 LYS 50 21.317 28.137 10.564 401 HZ2 LYS 50 HZ2 LYS 50 19.699 27.785 10.907 402 HZ3 LYS 50 HZ3 LYS 50 20.082 28.956 9.747 403 H ARG 51 H ARG 51 21.534 21.196 11.849 404 HA ARG 51 HA ARG 51 24.158 21.022 11.037 405 HB2 ARG 51 HB2 ARG 51 24.442 19.367 12.645 406 HB3 ARG 51 HB3 ARG 51 23.007 20.207 13.215 407 HG2 ARG 51 HG2 ARG 51 23.036 17.631 11.656 408 HG3 ARG 51 HG3 ARG 51 22.759 17.793 13.392 409 HD2 ARG 51 HD2 ARG 51 20.772 19.173 12.916 410 HD3 ARG 51 HD3 ARG 51 21.038 18.927 11.190 411 HE ARG 51 HE ARG 51 20.124 16.839 11.384 412 HH11 ARG 51 HH11 ARG 51 20.939 18.024 14.554 413 HH12 ARG 51 HH12 ARG 51 20.165 16.715 15.385 414 HH21 ARG 51 HH21 ARG 51 19.102 15.111 12.466 415 HH22 ARG 51 HH22 ARG 51 19.121 15.058 14.196 416 H GLU 52 H GLU 52 25.372 19.193 10.157 417 HA GLU 52 HA GLU 52 23.841 17.520 8.294 418 HB2 GLU 52 HB2 GLU 52 25.919 19.532 7.635 419 HB3 GLU 52 HB3 GLU 52 26.005 18.001 6.776 420 HG2 GLU 52 HG2 GLU 52 23.745 18.290 5.965 421 HG3 GLU 52 HG3 GLU 52 23.582 19.781 6.889 422 H PHE 53 H PHE 53 24.986 15.626 7.555 423 HA PHE 53 HA PHE 53 27.403 14.916 9.030 424 HB2 PHE 53 HB2 PHE 53 24.958 13.137 9.048 425 HB3 PHE 53 HB3 PHE 53 26.488 12.842 9.867 426 HD1 PHE 53 HD2 PHE 53 27.203 14.698 11.580 427 HD2 PHE 53 HD1 PHE 53 23.216 14.043 10.241 428 HE1 PHE 53 HE2 PHE 53 26.345 15.828 13.590 429 HE2 PHE 53 HE1 PHE 53 22.352 15.173 12.248 430 HZ PHE 53 HZ PHE 53 23.917 16.068 13.926 431 H TRP 54 H TRP 54 28.650 13.319 8.053 432 HA TRP 54 HA TRP 54 28.187 12.995 5.225 433 HB2 TRP 54 HB2 TRP 54 30.421 12.050 7.030 434 HB3 TRP 54 HB3 TRP 54 30.390 11.799 5.287 435 HD1 TRP 54 HD1 TRP 54 31.603 14.183 7.812 436 HE1 TRP 54 HE1 TRP 54 32.345 16.385 6.707 437 HE3 TRP 54 HE3 TRP 54 29.547 13.501 3.181 438 HZ2 TRP 54 HZ2 TRP 54 32.093 17.665 4.203 439 HZ3 TRP 54 HZ3 TRP 54 29.843 15.262 1.488 440 HH2 TRP 54 HH2 TRP 54 31.089 17.301 1.991 441 H GLY 55 H GLY 55 27.642 11.158 4.141 442 HA2 GLY 55 HA2 GLY 55 27.651 8.572 5.381 443 HA3 GLY 55 HA3 GLY 55 26.032 9.245 5.262 444 H TRP 56 H TRP 56 26.618 6.900 3.992 445 HA TRP 56 HA TRP 56 26.785 7.694 1.158 446 HB2 TRP 56 HB2 TRP 56 27.529 5.364 0.710 447 HB3 TRP 56 HB3 TRP 56 28.640 6.253 1.749 448 HD1 TRP 56 HD1 TRP 56 28.651 5.564 4.386 449 HE1 TRP 56 HE1 TRP 56 28.081 3.328 5.527 450 HE3 TRP 56 HE3 TRP 56 26.057 3.347 0.579 451 HZ2 TRP 56 HZ2 TRP 56 26.713 0.941 4.896 452 HZ3 TRP 56 HZ3 TRP 56 25.151 1.086 0.928 453 HH2 TRP 56 HH2 TRP 56 25.474 -0.091 3.043 454 H TRP 57 H TRP 57 25.007 7.437 -0.018 455 HA TRP 57 HA TRP 57 22.641 6.313 1.130 456 HB2 TRP 57 HB2 TRP 57 23.031 7.095 -1.759 457 HB3 TRP 57 HB3 TRP 57 21.524 7.033 -0.850 458 HD1 TRP 57 HD1 TRP 57 22.635 8.677 1.722 459 HE1 TRP 57 HE1 TRP 57 22.940 11.223 1.494 460 HE3 TRP 57 HE3 TRP 57 22.896 9.011 -3.373 461 HZ2 TRP 57 HZ2 TRP 57 23.250 13.121 -0.572 462 HZ3 TRP 57 HZ3 TRP 57 23.197 11.228 -4.396 463 HH2 TRP 57 HH2 TRP 57 23.369 13.240 -3.023 464 H MET 58 H MET 58 21.421 4.540 0.335 465 HA MET 58 HA MET 58 22.819 2.667 -1.425 466 HB2 MET 58 HB2 MET 58 23.265 2.195 1.065 467 HB3 MET 58 HB3 MET 58 21.580 1.698 1.141 468 HG2 MET 58 HG2 MET 58 22.032 0.043 -0.639 469 HG3 MET 58 HG3 MET 58 23.734 0.497 -0.581 470 HE1 MET 58 HE1 MET 58 21.109 -0.650 2.652 471 HE2 MET 58 HE2 MET 58 20.747 -0.901 0.944 472 HE3 MET 58 HE3 MET 58 21.328 -2.244 1.930 473 H GLU 59 H GLU 59 21.439 2.311 -3.029 474 HA GLU 59 HA GLU 59 18.572 2.077 -2.392 475 HB2 GLU 59 HB2 GLU 59 18.286 2.595 -4.882 476 HB3 GLU 59 HB3 GLU 59 18.785 3.916 -3.835 477 HG2 GLU 59 HG2 GLU 59 20.947 3.931 -4.663 478 HG3 GLU 59 HG3 GLU 59 20.825 2.287 -5.287 479 H LEU 60 H LEU 60 17.915 0.038 -2.367 480 HA LEU 60 HA LEU 60 19.062 -1.832 -4.335 481 HB2 LEU 60 HB2 LEU 60 18.469 -3.619 -2.674 482 HB3 LEU 60 HB3 LEU 60 19.786 -2.546 -2.207 483 HG LEU 60 HG LEU 60 17.958 -1.268 -0.890 484 HD11 LEU 60 HD11 LEU 60 16.272 -3.058 -0.042 485 HD12 LEU 60 HD12 LEU 60 16.591 -3.827 -1.597 486 HD13 LEU 60 HD13 LEU 60 15.947 -2.186 -1.541 487 HD21 LEU 60 HD21 LEU 60 18.913 -3.997 -0.028 488 HD22 LEU 60 HD22 LEU 60 18.301 -2.736 1.043 489 HD23 LEU 60 HD23 LEU 60 19.797 -2.480 0.144 490 H GLU 61 H GLU 61 17.636 -3.508 -5.116 491 HA GLU 61 HA GLU 61 14.776 -2.872 -4.857 492 HB2 GLU 61 HB2 GLU 61 16.065 -2.125 -7.051 493 HB3 GLU 61 HB3 GLU 61 15.821 -3.811 -7.488 494 HG2 GLU 61 HG2 GLU 61 13.403 -3.528 -7.140 495 HG3 GLU 61 HG3 GLU 61 13.674 -1.824 -6.778 496 H ALA 62 H ALA 62 13.871 -4.578 -3.921 497 HA ALA 62 HA ALA 62 14.908 -7.123 -3.679 498 HB1 ALA 62 HB1 ALA 62 12.799 -5.930 -2.613 499 HB2 ALA 62 HB2 ALA 62 11.955 -6.865 -3.848 500 HB3 ALA 62 HB3 ALA 62 12.955 -7.686 -2.650 501 H GLN 63 H GLN 63 15.170 -8.786 -5.016 502 HA GLN 63 HA GLN 63 14.064 -8.623 -7.703 503 HB2 GLN 63 HB2 GLN 63 16.489 -9.518 -6.666 504 HB3 GLN 63 HB3 GLN 63 15.653 -10.989 -7.145 505 HG2 GLN 63 HG2 GLN 63 15.212 -9.540 -9.334 506 HG3 GLN 63 HG3 GLN 63 16.708 -8.778 -8.797 507 HE21 GLN 63 HE21 GLN 63 15.361 -12.051 -9.095 508 HE22 GLN 63 HE22 GLN 63 16.775 -12.752 -9.798 509 H GLU 64 H GLU 64 13.655 -11.047 -8.588 510 HA GLU 64 HA GLU 64 11.163 -11.806 -7.663 511 HB2 GLU 64 HB2 GLU 64 12.608 -12.482 -9.806 512 HB3 GLU 64 HB3 GLU 64 12.890 -13.924 -8.839 513 HG2 GLU 64 HG2 GLU 64 10.632 -14.505 -8.829 514 HG3 GLU 64 HG3 GLU 64 10.121 -12.891 -9.318 515 H LYS 65 H LYS 65 14.301 -13.327 -6.957 516 HA LYS 65 HA LYS 65 13.238 -14.246 -4.400 517 HB2 LYS 65 HB2 LYS 65 14.141 -16.525 -4.755 518 HB3 LYS 65 HB3 LYS 65 12.821 -16.138 -5.850 519 HG2 LYS 65 HG2 LYS 65 14.214 -17.023 -7.377 520 HG3 LYS 65 HG3 LYS 65 14.894 -15.395 -7.376 521 HD2 LYS 65 HD2 LYS 65 16.734 -16.023 -6.125 522 HD3 LYS 65 HD3 LYS 65 15.915 -17.427 -5.437 523 HE2 LYS 65 HE2 LYS 65 15.919 -18.381 -7.798 524 HE3 LYS 65 HE3 LYS 65 17.059 -17.097 -8.197 525 HZ1 LYS 65 HZ1 LYS 65 18.061 -18.218 -5.916 526 HZ2 LYS 65 HZ2 LYS 65 18.628 -18.478 -7.488 527 HZ3 LYS 65 HZ3 LYS 65 17.509 -19.547 -6.805 528 H ARG 66 H ARG 66 15.231 -12.268 -5.393 529 HA ARG 66 HA ARG 66 17.412 -13.099 -3.640 530 HB2 ARG 66 HB2 ARG 66 17.644 -12.570 -6.558 531 HB3 ARG 66 HB3 ARG 66 18.918 -11.942 -5.521 532 HG2 ARG 66 HG2 ARG 66 19.672 -14.024 -4.946 533 HG3 ARG 66 HG3 ARG 66 18.102 -14.785 -5.213 534 HD2 ARG 66 HD2 ARG 66 19.491 -15.534 -6.967 535 HD3 ARG 66 HD3 ARG 66 18.439 -14.308 -7.673 536 HE ARG 66 HE ARG 66 20.868 -13.154 -6.783 537 HH11 ARG 66 HH11 ARG 66 19.522 -15.121 -9.321 538 HH12 ARG 66 HH12 ARG 66 20.698 -14.637 -10.497 539 HH21 ARG 66 HH21 ARG 66 22.422 -12.509 -8.323 540 HH22 ARG 66 HH22 ARG 66 22.348 -13.152 -9.929 541 H PHE 67 H PHE 67 19.053 -11.135 -3.540 542 HA PHE 67 HA PHE 67 17.574 -8.604 -3.551 543 HB2 PHE 67 HB2 PHE 67 18.042 -10.060 -1.222 544 HB3 PHE 67 HB3 PHE 67 19.297 -8.826 -1.221 545 HD1 PHE 67 HD1 PHE 67 15.629 -9.283 -1.571 546 HD2 PHE 67 HD2 PHE 67 18.817 -6.667 -0.518 547 HE1 PHE 67 HE1 PHE 67 13.999 -7.636 -0.742 548 HE2 PHE 67 HE2 PHE 67 17.193 -5.016 0.313 549 HZ PHE 67 HZ PHE 67 14.780 -5.500 0.203 550 H THR 68 H THR 68 18.744 -6.905 -4.225 551 HA THR 68 HA THR 68 21.671 -7.101 -4.230 552 HB THR 68 HB THR 68 20.990 -7.814 -6.458 553 HG1 THR 68 HG1 THR 68 22.300 -6.391 -7.546 554 HG21 THR 68 HG21 THR 68 18.810 -6.799 -6.624 555 HG22 THR 68 HG22 THR 68 19.810 -6.210 -7.952 556 HG23 THR 68 HG23 THR 68 19.513 -5.184 -6.550 557 H TYR 69 H TYR 69 22.721 -5.203 -3.874 558 HA TYR 69 HA TYR 69 21.081 -2.761 -3.727 559 HB2 TYR 69 HB2 TYR 69 22.155 -2.102 -1.702 560 HB3 TYR 69 HB3 TYR 69 21.632 -3.767 -1.476 561 HD1 TYR 69 HD1 TYR 69 23.466 -5.577 -2.116 562 HD2 TYR 69 HD2 TYR 69 24.301 -1.540 -1.063 563 HE1 TYR 69 HE1 TYR 69 25.759 -6.218 -1.499 564 HE2 TYR 69 HE2 TYR 69 26.596 -2.170 -0.444 565 HH TYR 69 HH TYR 69 28.198 -3.867 -0.795 566 H ARG 70 H ARG 70 22.566 -0.764 -3.557 567 HA ARG 70 HA ARG 70 24.909 -1.103 -5.306 568 HB2 ARG 70 HB2 ARG 70 22.872 -0.216 -6.517 569 HB3 ARG 70 HB3 ARG 70 22.981 1.211 -5.495 570 HG2 ARG 70 HG2 ARG 70 25.103 1.797 -6.410 571 HG3 ARG 70 HG3 ARG 70 25.209 0.264 -7.278 572 HD2 ARG 70 HD2 ARG 70 23.431 0.875 -8.736 573 HD3 ARG 70 HD3 ARG 70 23.030 2.284 -7.755 574 HE ARG 70 HE ARG 70 25.620 2.688 -8.541 575 HH11 ARG 70 HH11 ARG 70 22.590 2.128 -10.161 576 HH12 ARG 70 HH12 ARG 70 23.026 3.036 -11.571 577 HH21 ARG 70 HH21 ARG 70 26.206 3.886 -10.391 578 HH22 ARG 70 HH22 ARG 70 25.084 4.035 -11.701 579 H TYR 71 H TYR 71 26.448 0.702 -5.193 580 HA TYR 71 HA TYR 71 26.519 1.828 -2.477 581 HB2 TYR 71 HB2 TYR 71 29.007 2.091 -2.993 582 HB3 TYR 71 HB3 TYR 71 28.412 0.448 -2.775 583 HD1 TYR 71 HD1 TYR 71 28.217 -1.068 -4.689 584 HD2 TYR 71 HD2 TYR 71 29.794 2.858 -5.141 585 HE1 TYR 71 HE1 TYR 71 29.136 -1.695 -6.883 586 HE2 TYR 71 HE2 TYR 71 30.716 2.242 -7.336 587 HH TYR 71 HH TYR 71 31.274 0.419 -8.654 588 H GLN 72 H GLN 72 26.154 3.927 -2.282 589 HA GLN 72 HA GLN 72 27.012 5.733 -4.430 590 HB2 GLN 72 HB2 GLN 72 24.279 5.577 -3.178 591 HB3 GLN 72 HB3 GLN 72 24.861 7.049 -3.945 592 HG2 GLN 72 HG2 GLN 72 25.342 5.484 -5.964 593 HG3 GLN 72 HG3 GLN 72 24.186 4.416 -5.169 594 HE21 GLN 72 HE21 GLN 72 23.801 5.565 -7.696 595 HE22 GLN 72 HE22 GLN 72 22.456 6.645 -7.602 596 H PHE 73 H PHE 73 27.660 7.772 -3.774 597 HA PHE 73 HA PHE 73 27.861 8.149 -0.858 598 HB2 PHE 73 HB2 PHE 73 29.829 8.611 -3.062 599 HB3 PHE 73 HB3 PHE 73 29.894 9.640 -1.635 600 HD1 PHE 73 HD2 PHE 73 30.263 6.211 -2.889 601 HD2 PHE 73 HD1 PHE 73 30.647 8.796 0.471 602 HE1 PHE 73 HE2 PHE 73 31.547 4.477 -1.706 603 HE2 PHE 73 HE1 PHE 73 31.933 7.067 1.658 604 HZ PHE 73 HZ PHE 73 32.385 4.904 0.570 605 H GLY 74 H GLY 74 27.817 10.340 -0.076 606 HA2 GLY 74 HA2 GLY 74 27.401 12.642 -1.531 607 HA3 GLY 74 HA3 GLY 74 25.811 11.910 -1.367 608 H LEU 75 H LEU 75 25.078 13.666 -0.120 609 HA LEU 75 HA LEU 75 25.892 13.498 2.685 610 HB2 LEU 75 HB2 LEU 75 27.135 15.368 2.060 611 HB3 LEU 75 HB3 LEU 75 25.875 15.959 0.979 612 HG LEU 75 HG LEU 75 24.513 16.582 2.925 613 HD11 LEU 75 HD11 LEU 75 26.538 16.498 4.939 614 HD12 LEU 75 HD12 LEU 75 26.278 14.875 4.300 615 HD13 LEU 75 HD13 LEU 75 24.922 15.792 4.954 616 HD21 LEU 75 HD21 LEU 75 25.560 18.494 2.409 617 HD22 LEU 75 HD22 LEU 75 27.136 17.713 2.283 618 HD23 LEU 75 HD23 LEU 75 26.509 18.183 3.863 619 H PHE 76 H PHE 76 24.262 13.881 4.154 620 HA PHE 76 HA PHE 76 21.568 14.084 2.999 621 HB2 PHE 76 HB2 PHE 76 21.907 12.050 4.259 622 HB3 PHE 76 HB3 PHE 76 22.517 12.957 5.639 623 HD1 PHE 76 HD1 PHE 76 19.495 13.235 3.463 624 HD2 PHE 76 HD2 PHE 76 21.064 12.887 7.404 625 HE1 PHE 76 HE1 PHE 76 17.215 13.365 4.378 626 HE2 PHE 76 HE2 PHE 76 18.786 13.015 8.326 627 HZ PHE 76 HZ PHE 76 16.858 13.254 6.812 628 H ASP 77 H ASP 77 20.710 16.044 3.091 629 HA ASP 77 HA ASP 77 21.495 17.868 5.241 630 HB2 ASP 77 HB2 ASP 77 21.494 18.487 2.729 631 HB3 ASP 77 HB3 ASP 77 19.745 18.597 2.906 632 H LYS 78 H LYS 78 19.677 19.359 6.012 633 HA LYS 78 HA LYS 78 17.691 17.744 7.256 634 HB2 LYS 78 HB2 LYS 78 16.893 19.842 8.240 635 HB3 LYS 78 HB3 LYS 78 18.641 19.701 8.374 636 HG2 LYS 78 HG2 LYS 78 19.033 21.401 6.896 637 HG3 LYS 78 HG3 LYS 78 17.506 21.158 6.043 638 HD2 LYS 78 HD2 LYS 78 17.606 22.160 8.875 639 HD3 LYS 78 HD3 LYS 78 17.725 23.252 7.493 640 HE2 LYS 78 HE2 LYS 78 15.569 22.543 6.689 641 HE3 LYS 78 HE3 LYS 78 15.466 21.304 7.939 642 HZ1 LYS 78 HZ1 LYS 78 15.887 23.625 9.314 643 HZ2 LYS 78 HZ2 LYS 78 14.408 22.824 9.140 644 HZ3 LYS 78 HZ3 LYS 78 14.818 24.081 8.084 645 H GLU 79 H GLU 79 17.844 19.357 4.266 646 HA GLU 79 HA GLU 79 15.026 19.837 3.971 647 HB2 GLU 79 HB2 GLU 79 17.153 19.727 1.827 648 HB3 GLU 79 HB3 GLU 79 15.556 20.449 1.687 649 HG2 GLU 79 HG2 GLU 79 17.550 21.411 3.705 650 HG3 GLU 79 HG3 GLU 79 17.537 22.006 2.047 651 H GLY 80 H GLY 80 16.938 17.089 3.874 652 HA2 GLY 80 HA2 GLY 80 16.426 14.908 3.351 653 HA3 GLY 80 HA3 GLY 80 14.784 15.439 3.020 654 H ASN 81 H ASN 81 17.220 17.103 1.300 655 HA ASN 81 HA ASN 81 16.450 15.664 -1.141 656 HB2 ASN 81 HB2 ASN 81 17.759 18.380 -0.868 657 HB3 ASN 81 HB3 ASN 81 17.161 17.654 -2.357 658 HD21 ASN 81 HD21 ASN 81 16.443 20.151 -0.950 659 HD22 ASN 81 HD22 ASN 81 14.732 20.069 -0.722 660 H TRP 82 H TRP 82 17.852 14.304 -2.016 661 HA TRP 82 HA TRP 82 20.392 13.773 -1.022 662 HB2 TRP 82 HB2 TRP 82 20.748 12.569 -3.219 663 HB3 TRP 82 HB3 TRP 82 19.301 12.104 -2.329 664 HD1 TRP 82 HD1 TRP 82 20.406 13.919 -5.509 665 HE1 TRP 82 HE1 TRP 82 18.371 14.161 -7.067 666 HE3 TRP 82 HE3 TRP 82 16.754 12.260 -2.340 667 HZ2 TRP 82 HZ2 TRP 82 15.587 13.709 -6.966 668 HZ3 TRP 82 HZ3 TRP 82 14.431 12.196 -3.147 669 HH2 TRP 82 HH2 TRP 82 13.861 12.906 -5.413 670 H THR 83 H THR 83 22.279 14.778 -1.191 671 HA THR 83 HA THR 83 22.813 16.451 -3.541 672 HB THR 83 HB THR 83 23.397 17.362 -0.718 673 HG1 THR 83 HG1 THR 83 21.276 17.943 -2.504 674 HG21 THR 83 HG21 THR 83 23.400 19.487 -2.571 675 HG22 THR 83 HG22 THR 83 24.351 18.189 -3.293 676 HG23 THR 83 HG23 THR 83 24.776 18.812 -1.698 677 H VAL 84 H VAL 84 24.542 15.562 -4.455 678 HA VAL 84 HA VAL 84 26.465 14.043 -2.955 679 HB VAL 84 HB VAL 84 27.619 13.739 -5.094 680 HG11 VAL 84 HG11 VAL 84 25.328 13.016 -6.358 681 HG12 VAL 84 HG12 VAL 84 26.108 12.075 -5.086 682 HG13 VAL 84 HG13 VAL 84 24.771 13.155 -4.691 683 HG21 VAL 84 HG21 VAL 84 25.681 15.835 -6.012 684 HG22 VAL 84 HG22 VAL 84 27.432 15.778 -6.217 685 HG23 VAL 84 HG23 VAL 84 26.400 14.691 -7.146 686 H VAL 85 H VAL 85 28.366 14.688 -2.154 687 HA VAL 85 HA VAL 85 29.640 17.112 -3.145 688 HB VAL 85 HB VAL 85 29.996 17.764 -0.638 689 HG11 VAL 85 HG11 VAL 85 28.777 19.518 -1.251 690 HG12 VAL 85 HG12 VAL 85 28.259 18.602 -2.668 691 HG13 VAL 85 HG13 VAL 85 27.292 18.568 -1.193 692 HG21 VAL 85 HG21 VAL 85 27.242 16.699 -0.278 693 HG22 VAL 85 HG22 VAL 85 28.601 15.594 -0.070 694 HG23 VAL 85 HG23 VAL 85 28.486 17.046 0.924 695 HA PRO 86 HA PRO 86 33.365 14.942 -2.321 696 HB2 PRO 86 HB2 PRO 86 35.053 16.963 -1.658 697 HB3 PRO 86 HB3 PRO 86 34.478 16.693 -3.308 698 HG2 PRO 86 HG2 PRO 86 33.501 18.642 -1.256 699 HG3 PRO 86 HG3 PRO 86 33.781 18.889 -2.989 700 HD2 PRO 86 HD2 PRO 86 31.313 18.472 -1.958 701 HD3 PRO 86 HD3 PRO 86 31.776 17.919 -3.581 702 H ILE 87 H ILE 87 34.688 14.131 -0.681 703 HA ILE 87 HA ILE 87 33.719 14.668 2.026 704 HB ILE 87 HB ILE 87 35.526 12.453 1.049 705 HG12 ILE 87 HG12 ILE 87 33.251 12.327 0.100 706 HG13 ILE 87 HG13 ILE 87 33.562 11.013 1.229 707 HG21 ILE 87 HG21 ILE 87 34.484 11.532 3.340 708 HG22 ILE 87 HG22 ILE 87 36.007 12.417 3.259 709 HG23 ILE 87 HG23 ILE 87 34.523 13.257 3.708 710 HD11 ILE 87 HD11 ILE 87 32.018 13.519 1.851 711 HD12 ILE 87 HD12 ILE 87 31.322 11.938 1.493 712 HD13 ILE 87 HD13 ILE 87 32.295 12.165 2.946 713 H ASN 88 H ASN 88 34.794 16.093 3.210 714 HA ASN 88 HA ASN 88 37.584 16.682 2.621 715 HB2 ASN 88 HB2 ASN 88 35.746 17.993 4.635 716 HB3 ASN 88 HB3 ASN 88 37.307 18.597 4.087 717 HD21 ASN 88 HD21 ASN 88 34.271 19.339 3.892 718 HD22 ASN 88 HD22 ASN 88 34.137 19.892 2.260 719 H GLU 89 H GLU 89 39.241 16.611 4.184 720 HA GLU 89 HA GLU 89 40.439 15.720 5.901 721 HB2 GLU 89 HB2 GLU 89 37.836 15.298 7.360 722 HB3 GLU 89 HB3 GLU 89 39.436 15.539 8.047 723 HG2 GLU 89 HG2 GLU 89 38.876 17.667 8.295 724 HG3 GLU 89 HG3 GLU 89 39.032 17.816 6.545 725 H THR 90 H THR 90 41.268 13.852 5.171 726 HA THR 90 HA THR 90 39.900 11.575 4.381 727 HB THR 90 HB THR 90 42.276 11.935 3.885 728 HG1 THR 90 HG1 THR 90 41.246 9.742 4.081 729 HG21 THR 90 HG21 THR 90 43.995 11.689 5.505 730 HG22 THR 90 HG22 THR 90 42.857 11.128 6.730 731 HG23 THR 90 HG23 THR 90 42.822 12.809 6.196 732 H GLU 91 H GLU 91 40.732 12.667 7.576 733 HA GLU 91 HA GLU 91 40.632 10.318 9.037 734 HB2 GLU 91 HB2 GLU 91 39.749 11.797 10.910 735 HB3 GLU 91 HB3 GLU 91 41.275 12.279 10.181 736 HG2 GLU 91 HG2 GLU 91 40.343 14.101 9.110 737 HG3 GLU 91 HG3 GLU 91 38.711 13.440 9.188 738 H VAL 92 H VAL 92 38.008 12.253 7.733 739 HA VAL 92 HA VAL 92 35.945 10.779 9.090 740 HB VAL 92 HB VAL 92 35.730 12.675 6.747 741 HG11 VAL 92 HG11 VAL 92 33.707 11.638 6.649 742 HG12 VAL 92 HG12 VAL 92 33.736 11.175 8.352 743 HG13 VAL 92 HG13 VAL 92 33.341 12.832 7.894 744 HG21 VAL 92 HG21 VAL 92 35.553 13.100 9.720 745 HG22 VAL 92 HG22 VAL 92 36.623 13.895 8.565 746 HG23 VAL 92 HG23 VAL 92 34.895 14.245 8.551 747 H VAL 93 H VAL 93 37.210 10.908 5.775 748 HA VAL 93 HA VAL 93 35.471 9.156 4.535 749 HB VAL 93 HB VAL 93 37.744 10.460 3.763 750 HG11 VAL 93 HG11 VAL 93 39.123 8.616 4.682 751 HG12 VAL 93 HG12 VAL 93 38.349 7.514 3.542 752 HG13 VAL 93 HG13 VAL 93 39.337 8.849 2.947 753 HG21 VAL 93 HG21 VAL 93 37.019 9.998 1.661 754 HG22 VAL 93 HG22 VAL 93 36.823 8.276 1.986 755 HG23 VAL 93 HG23 VAL 93 35.606 9.423 2.546 756 H GLU 94 H GLU 94 38.172 8.467 6.659 757 HA GLU 94 HA GLU 94 38.390 5.704 6.121 758 HB2 GLU 94 HB2 GLU 94 39.134 7.364 8.527 759 HB3 GLU 94 HB3 GLU 94 39.467 5.641 8.422 760 HG2 GLU 94 HG2 GLU 94 40.635 6.267 6.191 761 HG3 GLU 94 HG3 GLU 94 40.656 7.893 6.870 762 H ARG 95 H ARG 95 36.380 7.560 8.330 763 HA ARG 95 HA ARG 95 35.371 5.307 9.756 764 HB2 ARG 95 HB2 ARG 95 35.329 7.507 10.771 765 HB3 ARG 95 HB3 ARG 95 34.317 8.124 9.473 766 HG2 ARG 95 HG2 ARG 95 32.922 7.766 11.356 767 HG3 ARG 95 HG3 ARG 95 32.557 6.496 10.186 768 HD2 ARG 95 HD2 ARG 95 32.679 5.398 12.257 769 HD3 ARG 95 HD3 ARG 95 34.219 5.059 11.469 770 HE ARG 95 HE ARG 95 34.613 7.322 13.003 771 HH11 ARG 95 HH11 ARG 95 33.703 4.004 13.531 772 HH12 ARG 95 HH12 ARG 95 34.391 3.931 15.119 773 HH21 ARG 95 HH21 ARG 95 35.523 7.239 15.093 774 HH22 ARG 95 HH22 ARG 95 35.426 5.773 16.007 775 H LEU 96 H LEU 96 34.368 7.082 6.899 776 HA LEU 96 HA LEU 96 31.781 5.944 6.680 777 HB2 LEU 96 HB2 LEU 96 33.583 7.537 4.968 778 HB3 LEU 96 HB3 LEU 96 32.364 6.577 4.132 779 HG LEU 96 HG LEU 96 31.678 8.920 4.530 780 HD11 LEU 96 HD11 LEU 96 29.716 7.886 4.302 781 HD12 LEU 96 HD12 LEU 96 29.589 7.999 6.057 782 HD13 LEU 96 HD13 LEU 96 30.214 6.528 5.311 783 HD21 LEU 96 HD21 LEU 96 32.831 9.245 6.669 784 HD22 LEU 96 HD22 LEU 96 31.712 8.120 7.439 785 HD23 LEU 96 HD23 LEU 96 31.117 9.645 6.782 786 H GLU 97 H GLU 97 34.959 4.998 5.508 787 HA GLU 97 HA GLU 97 34.055 2.928 3.786 788 HB2 GLU 97 HB2 GLU 97 36.727 3.431 5.099 789 HB3 GLU 97 HB3 GLU 97 36.441 2.134 3.947 790 HG2 GLU 97 HG2 GLU 97 35.888 3.735 2.225 791 HG3 GLU 97 HG3 GLU 97 36.054 5.063 3.373 792 H TYR 98 H TYR 98 35.044 3.038 7.168 793 HA TYR 98 HA TYR 98 34.985 0.217 7.563 794 HB2 TYR 98 HB2 TYR 98 36.297 1.612 9.044 795 HB3 TYR 98 HB3 TYR 98 34.864 2.512 9.530 796 HD1 TYR 98 HD2 TYR 98 33.148 1.424 10.953 797 HD2 TYR 98 HD1 TYR 98 36.837 -0.488 10.039 798 HE1 TYR 98 HE2 TYR 98 32.790 -0.144 12.814 799 HE2 TYR 98 HE1 TYR 98 36.489 -2.062 11.897 800 HH TYR 98 HH TYR 98 35.267 -2.312 13.894 801 H THR 99 H THR 99 32.648 2.816 7.944 802 HA THR 99 HA THR 99 30.680 1.347 9.337 803 HB THR 99 HB THR 99 29.101 3.106 8.272 804 HG1 THR 99 HG1 THR 99 30.489 3.716 6.562 805 HG21 THR 99 HG21 THR 99 30.919 3.186 10.443 806 HG22 THR 99 HG22 THR 99 29.406 4.071 10.255 807 HG23 THR 99 HG23 THR 99 30.920 4.782 9.695 808 H LEU 100 H LEU 100 31.133 2.006 5.875 809 HA LEU 100 HA LEU 100 28.833 0.671 4.973 810 HB2 LEU 100 HB2 LEU 100 29.611 1.047 2.864 811 HB3 LEU 100 HB3 LEU 100 30.551 2.238 3.760 812 HG LEU 100 HG LEU 100 32.316 0.271 3.834 813 HD11 LEU 100 HD11 LEU 100 32.162 -1.345 2.264 814 HD12 LEU 100 HD12 LEU 100 31.313 -0.309 1.119 815 HD13 LEU 100 HD13 LEU 100 30.435 -1.048 2.457 816 HD21 LEU 100 HD21 LEU 100 32.258 1.500 1.170 817 HD22 LEU 100 HD22 LEU 100 33.495 1.563 2.426 818 HD23 LEU 100 HD23 LEU 100 32.094 2.632 2.512 819 H ARG 101 H ARG 101 32.051 -0.471 5.766 820 HA ARG 101 HA ARG 101 31.781 -3.054 4.617 821 HB2 ARG 101 HB2 ARG 101 33.673 -1.725 6.485 822 HB3 ARG 101 HB3 ARG 101 33.634 -3.483 6.500 823 HG2 ARG 101 HG2 ARG 101 33.910 -1.988 3.925 824 HG3 ARG 101 HG3 ARG 101 35.309 -2.281 4.960 825 HD2 ARG 101 HD2 ARG 101 35.228 -4.564 4.649 826 HD3 ARG 101 HD3 ARG 101 33.509 -4.553 4.256 827 HE ARG 101 HE ARG 101 35.002 -3.168 2.285 828 HH11 ARG 101 HH11 ARG 101 34.245 -6.369 3.424 829 HH12 ARG 101 HH12 ARG 101 34.481 -7.117 1.878 830 HH21 ARG 101 HH21 ARG 101 35.317 -4.140 0.245 831 HH22 ARG 101 HH22 ARG 101 35.092 -5.848 0.071 832 H GLU 102 H GLU 102 31.313 -1.795 7.902 833 HA GLU 102 HA GLU 102 30.590 -4.324 9.008 834 HB2 GLU 102 HB2 GLU 102 30.508 -1.487 9.953 835 HB3 GLU 102 HB3 GLU 102 29.612 -2.711 10.843 836 HG2 GLU 102 HG2 GLU 102 32.568 -2.727 10.280 837 HG3 GLU 102 HG3 GLU 102 31.797 -2.361 11.822 838 H PHE 103 H PHE 103 28.868 -1.739 7.439 839 HA PHE 103 HA PHE 103 26.269 -2.250 8.313 840 HB2 PHE 103 HB2 PHE 103 27.248 -0.360 6.775 841 HB3 PHE 103 HB3 PHE 103 26.784 -1.451 5.473 842 HD1 PHE 103 HD1 PHE 103 25.475 0.387 8.411 843 HD2 PHE 103 HD2 PHE 103 24.567 -1.574 4.743 844 HE1 PHE 103 HE1 PHE 103 23.168 1.232 8.534 845 HE2 PHE 103 HE2 PHE 103 22.259 -0.731 4.860 846 HZ PHE 103 HZ PHE 103 21.556 0.674 6.757 847 H HIS 104 H HIS 104 28.208 -3.815 5.842 848 HA HIS 104 HA HIS 104 26.097 -5.339 4.699 849 HB2 HIS 104 HB2 HIS 104 28.086 -4.981 3.403 850 HB3 HIS 104 HB3 HIS 104 29.097 -5.691 4.658 851 HD1 HIS 104 HD1 HIS 104 28.799 -8.331 5.009 852 HD2 HIS 104 HD2 HIS 104 27.132 -6.749 1.548 853 HE1 HIS 104 HE1 HIS 104 28.390 -10.300 3.500 854 H GLU 105 H GLU 105 28.282 -5.819 7.389 855 HA GLU 105 HA GLU 105 27.991 -8.569 7.764 856 HB2 GLU 105 HB2 GLU 105 29.342 -6.574 9.048 857 HB3 GLU 105 HB3 GLU 105 28.100 -6.964 10.229 858 HG2 GLU 105 HG2 GLU 105 29.903 -9.017 8.976 859 HG3 GLU 105 HG3 GLU 105 30.256 -8.197 10.496 860 H LYS 106 H LYS 106 26.097 -5.890 9.135 861 HA LYS 106 HA LYS 106 24.264 -7.622 10.483 862 HB2 LYS 106 HB2 LYS 106 23.241 -5.700 11.268 863 HB3 LYS 106 HB3 LYS 106 24.881 -5.134 10.976 864 HG2 LYS 106 HG2 LYS 106 23.961 -4.455 8.649 865 HG3 LYS 106 HG3 LYS 106 22.385 -4.578 9.434 866 HD2 LYS 106 HD2 LYS 106 24.691 -2.864 10.360 867 HD3 LYS 106 HD3 LYS 106 23.254 -2.289 9.511 868 HE2 LYS 106 HE2 LYS 106 21.863 -3.114 11.374 869 HE3 LYS 106 HE3 LYS 106 23.326 -3.607 12.225 870 HZ1 LYS 106 HZ1 LYS 106 24.008 -1.375 12.443 871 HZ2 LYS 106 HZ2 LYS 106 22.376 -1.401 12.886 872 HZ3 LYS 106 HZ3 LYS 106 22.830 -0.815 11.365 873 H LEU 107 H LEU 107 24.371 -6.045 7.361 874 HA LEU 107 HA LEU 107 21.686 -6.277 6.623 875 HB2 LEU 107 HB2 LEU 107 23.942 -5.308 5.453 876 HB3 LEU 107 HB3 LEU 107 23.645 -6.752 4.487 877 HG LEU 107 HG LEU 107 22.674 -4.806 3.423 878 HD11 LEU 107 HD11 LEU 107 20.442 -6.450 4.593 879 HD12 LEU 107 HD12 LEU 107 21.533 -7.044 3.341 880 HD13 LEU 107 HD13 LEU 107 20.497 -5.653 3.020 881 HD21 LEU 107 HD21 LEU 107 20.512 -4.269 5.227 882 HD22 LEU 107 HD22 LEU 107 21.712 -3.161 4.561 883 HD23 LEU 107 HD23 LEU 107 22.053 -4.039 6.053 884 H ARG 108 H ARG 108 24.314 -8.606 6.539 885 HA ARG 108 HA ARG 108 23.123 -10.564 4.935 886 HB2 ARG 108 HB2 ARG 108 25.530 -10.356 6.035 887 HB3 ARG 108 HB3 ARG 108 24.803 -11.393 7.255 888 HG2 ARG 108 HG2 ARG 108 24.274 -13.052 5.564 889 HG3 ARG 108 HG3 ARG 108 24.938 -12.003 4.310 890 HD2 ARG 108 HD2 ARG 108 26.612 -13.603 4.828 891 HD3 ARG 108 HD3 ARG 108 27.122 -12.078 5.550 892 HE ARG 108 HE ARG 108 25.812 -13.299 7.571 893 HH11 ARG 108 HH11 ARG 108 28.356 -14.318 5.425 894 HH12 ARG 108 HH12 ARG 108 29.079 -15.389 6.579 895 HH21 ARG 108 HH21 ARG 108 26.754 -14.706 9.099 896 HH22 ARG 108 HH22 ARG 108 28.166 -15.610 8.668 897 H ASP 109 H ASP 109 23.069 -10.174 8.470 898 HA ASP 109 HA ASP 109 21.543 -12.415 9.096 899 HB2 ASP 109 HB2 ASP 109 22.744 -10.772 10.669 900 HB3 ASP 109 HB3 ASP 109 21.278 -9.801 10.568 901 H LEU 110 H LEU 110 20.485 -9.120 8.306 902 HA LEU 110 HA LEU 110 17.745 -9.488 8.691 903 HB2 LEU 110 HB2 LEU 110 18.619 -7.290 8.424 904 HB3 LEU 110 HB3 LEU 110 19.270 -7.678 6.833 905 HG LEU 110 HG LEU 110 16.681 -8.086 6.326 906 HD11 LEU 110 HD11 LEU 110 15.816 -5.817 7.602 907 HD12 LEU 110 HD12 LEU 110 16.749 -6.637 8.853 908 HD13 LEU 110 HD13 LEU 110 15.415 -7.473 8.059 909 HD21 LEU 110 HD21 LEU 110 17.336 -5.229 6.311 910 HD22 LEU 110 HD22 LEU 110 16.919 -6.308 4.980 911 HD23 LEU 110 HD23 LEU 110 18.570 -6.268 5.599 912 H LEU 111 H LEU 111 19.646 -9.767 5.691 913 HA LEU 111 HA LEU 111 17.513 -10.574 4.050 914 HB2 LEU 111 HB2 LEU 111 20.439 -10.504 3.886 915 HB3 LEU 111 HB3 LEU 111 19.684 -11.755 2.900 916 HG LEU 111 HG LEU 111 18.459 -10.131 1.649 917 HD11 LEU 111 HD11 LEU 111 19.366 -8.251 3.792 918 HD12 LEU 111 HD12 LEU 111 17.746 -8.516 3.148 919 HD13 LEU 111 HD13 LEU 111 18.946 -7.651 2.188 920 HD21 LEU 111 HD21 LEU 111 20.695 -8.495 1.346 921 HD22 LEU 111 HD22 LEU 111 20.314 -9.958 0.438 922 HD23 LEU 111 HD23 LEU 111 21.333 -10.052 1.875 923 H ILE 112 H ILE 112 19.626 -12.353 6.195 924 HA ILE 112 HA ILE 112 19.013 -14.950 5.240 925 HB ILE 112 HB ILE 112 20.071 -13.978 7.888 926 HG12 ILE 112 HG12 ILE 112 21.532 -15.723 5.944 927 HG13 ILE 112 HG13 ILE 112 21.378 -14.004 5.599 928 HG21 ILE 112 HG21 ILE 112 19.532 -16.797 6.981 929 HG22 ILE 112 HG22 ILE 112 20.613 -16.391 8.313 930 HG23 ILE 112 HG23 ILE 112 18.901 -15.980 8.410 931 HD11 ILE 112 HD11 ILE 112 23.480 -14.558 6.724 932 HD12 ILE 112 HD12 ILE 112 22.482 -13.459 7.677 933 HD13 ILE 112 HD13 ILE 112 22.568 -15.168 8.105 934 H SER 113 H SER 113 17.443 -12.770 7.463 935 HA SER 113 HA SER 113 15.731 -14.718 8.658 936 HB2 SER 113 HB2 SER 113 16.109 -12.735 9.915 937 HB3 SER 113 HB3 SER 113 15.668 -11.701 8.556 938 HG SER 113 HG SER 113 13.978 -13.327 10.141 939 H MET 114 H MET 114 15.664 -12.872 5.738 940 HA MET 114 HA MET 114 12.853 -13.594 5.278 941 HB2 MET 114 HB2 MET 114 13.117 -11.993 3.300 942 HB3 MET 114 HB3 MET 114 13.114 -11.286 4.910 943 HG2 MET 114 HG2 MET 114 15.469 -10.990 4.874 944 HG3 MET 114 HG3 MET 114 15.627 -11.948 3.404 945 HE1 MET 114 HE1 MET 114 14.679 -8.363 4.871 946 HE2 MET 114 HE2 MET 114 13.617 -7.806 3.579 947 HE3 MET 114 HE3 MET 114 13.162 -9.205 4.553 948 H GLU 115 H GLU 115 15.836 -14.814 4.730 949 HA GLU 115 HA GLU 115 16.668 -16.416 3.346 950 HB2 GLU 115 HB2 GLU 115 13.890 -16.719 2.216 951 HB3 GLU 115 HB3 GLU 115 15.164 -17.928 2.297 952 HG2 GLU 115 HG2 GLU 115 14.974 -17.853 4.782 953 HG3 GLU 115 HG3 GLU 115 13.568 -16.808 4.584 954 H LEU 116 H LEU 116 16.681 -13.674 2.510 955 HA LEU 116 HA LEU 116 16.349 -13.884 -0.400 956 HB2 LEU 116 HB2 LEU 116 16.276 -11.666 1.549 957 HB3 LEU 116 HB3 LEU 116 17.000 -11.303 -0.016 958 HG LEU 116 HG LEU 116 14.577 -10.718 0.195 959 HD11 LEU 116 HD11 LEU 116 15.976 -11.693 -1.936 960 HD12 LEU 116 HD12 LEU 116 14.364 -10.982 -2.015 961 HD13 LEU 116 HD13 LEU 116 14.551 -12.733 -1.923 962 HD21 LEU 116 HD21 LEU 116 13.852 -12.598 1.551 963 HD22 LEU 116 HD22 LEU 116 14.254 -13.718 0.248 964 HD23 LEU 116 HD23 LEU 116 12.949 -12.550 0.036 965 H ALA 117 H ALA 117 18.101 -14.453 -1.492 966 HA ALA 117 HA ALA 117 20.705 -14.513 -0.457 967 HB1 ALA 117 HB1 ALA 117 20.905 -14.372 -3.263 968 HB2 ALA 117 HB2 ALA 117 20.933 -15.810 -2.242 969 HB3 ALA 117 HB3 ALA 117 19.405 -15.226 -2.900 970 H LEU 118 H LEU 118 22.592 -13.322 -1.227 971 HA LEU 118 HA LEU 118 21.960 -10.542 -1.965 972 HB2 LEU 118 HB2 LEU 118 22.565 -10.738 0.411 973 HB3 LEU 118 HB3 LEU 118 24.099 -11.471 -0.054 974 HG LEU 118 HG LEU 118 24.751 -9.367 -1.150 975 HD11 LEU 118 HD11 LEU 118 21.963 -8.689 -0.535 976 HD12 LEU 118 HD12 LEU 118 23.029 -8.086 -1.803 977 HD13 LEU 118 HD13 LEU 118 23.136 -7.422 -0.173 978 HD21 LEU 118 HD21 LEU 118 23.903 -9.105 1.732 979 HD22 LEU 118 HD22 LEU 118 25.049 -8.047 0.909 980 HD23 LEU 118 HD23 LEU 118 25.432 -9.754 1.140 981 H GLU 119 H GLU 119 23.152 -9.649 -3.558 982 HA GLU 119 HA GLU 119 25.644 -10.917 -4.388 983 HB2 GLU 119 HB2 GLU 119 23.136 -10.827 -6.005 984 HB3 GLU 119 HB3 GLU 119 24.673 -10.622 -6.833 985 HG2 GLU 119 HG2 GLU 119 24.403 -12.906 -4.963 986 HG3 GLU 119 HG3 GLU 119 23.555 -12.991 -6.506 987 HA PRO 120 HA PRO 120 26.971 -6.827 -5.255 988 HB2 PRO 120 HB2 PRO 120 28.555 -7.176 -7.432 989 HB3 PRO 120 HB3 PRO 120 29.017 -7.711 -5.811 990 HG2 PRO 120 HG2 PRO 120 27.863 -9.297 -8.073 991 HG3 PRO 120 HG3 PRO 120 29.180 -9.724 -6.965 992 HD2 PRO 120 HD2 PRO 120 26.659 -10.664 -6.661 993 HD3 PRO 120 HD3 PRO 120 27.733 -10.347 -5.283 994 H SER 121 H SER 121 27.107 -5.133 -6.989 995 HA SER 121 HA SER 121 24.646 -5.162 -8.520 996 HB2 SER 121 HB2 SER 121 26.539 -3.114 -7.554 997 HB3 SER 121 HB3 SER 121 25.803 -2.770 -9.120 998 HG SER 121 HG SER 121 24.693 -2.163 -6.988 999 H ASP 122 H ASP 122 24.516 -4.734 -10.765 1000 HA ASP 122 HA ASP 122 26.393 -6.148 -12.334 1001 HB2 ASP 122 HB2 ASP 122 23.942 -5.813 -12.856 1002 HB3 ASP 122 HB3 ASP 122 24.347 -4.173 -13.353 1003 H ASP 123 H ASP 123 26.165 -2.844 -11.357 1004 HA ASP 123 HA ASP 123 28.116 -1.990 -13.361 1005 HB2 ASP 123 HB2 ASP 123 26.011 -0.644 -12.683 1006 HB3 ASP 123 HB3 ASP 123 26.928 -0.219 -11.241 1007 H PHE 124 H PHE 124 28.753 -3.818 -11.111 1008 HA PHE 124 HA PHE 124 30.491 -2.207 -9.419 1009 HB2 PHE 124 HB2 PHE 124 29.257 -3.940 -8.290 1010 HB3 PHE 124 HB3 PHE 124 29.830 -5.155 -9.429 1011 HD1 PHE 124 HD2 PHE 124 31.353 -2.566 -7.208 1012 HD2 PHE 124 HD1 PHE 124 31.403 -6.589 -8.599 1013 HE1 PHE 124 HE2 PHE 124 33.255 -3.051 -5.724 1014 HE2 PHE 124 HE1 PHE 124 33.305 -7.081 -7.117 1015 HZ PHE 124 HZ PHE 124 34.232 -5.311 -5.677 1016 H ASN 125 H ASN 125 32.400 -1.649 -10.229 1017 HA ASN 125 HA ASN 125 33.702 -3.228 -12.262 1018 HB2 ASN 125 HB2 ASN 125 34.850 -0.831 -10.831 1019 HB3 ASN 125 HB3 ASN 125 35.274 -1.445 -12.427 1020 HD21 ASN 125 HD21 ASN 125 34.274 1.191 -11.457 1021 HD22 ASN 125 HD22 ASN 125 32.899 1.533 -12.445 1022 H ASP 126 H ASP 126 36.324 -3.134 -11.797 1023 HA ASP 126 HA ASP 126 36.636 -4.916 -9.493 1024 HB2 ASP 126 HB2 ASP 126 38.236 -4.490 -12.007 1025 HB3 ASP 126 HB3 ASP 126 38.904 -5.365 -10.632 1026 H GLU 127 H GLU 127 36.412 -2.136 -8.997 1027 HA GLU 127 HA GLU 127 39.078 -1.625 -7.870 1028 HB2 GLU 127 HB2 GLU 127 37.388 0.194 -9.533 1029 HB3 GLU 127 HB3 GLU 127 38.368 0.889 -8.249 1030 HG2 GLU 127 HG2 GLU 127 39.806 1.049 -10.010 1031 HG3 GLU 127 HG3 GLU 127 40.275 -0.519 -9.354 1032 HA PRO 128 HA PRO 128 35.686 -1.441 -4.677 1033 HB2 PRO 128 HB2 PRO 128 36.925 -3.084 -2.907 1034 HB3 PRO 128 HB3 PRO 128 35.874 -3.680 -4.197 1035 HG2 PRO 128 HG2 PRO 128 38.863 -3.541 -4.100 1036 HG3 PRO 128 HG3 PRO 128 37.822 -4.851 -4.687 1037 HD2 PRO 128 HD2 PRO 128 39.038 -3.098 -6.355 1038 HD3 PRO 128 HD3 PRO 128 37.458 -3.822 -6.717 1039 H VAL 129 H VAL 129 35.768 -0.434 -2.618 1040 HA VAL 129 HA VAL 129 37.663 1.610 -2.346 1041 HB VAL 129 HB VAL 129 35.835 0.470 -0.227 1042 HG11 VAL 129 HG11 VAL 129 36.906 1.835 1.166 1043 HG12 VAL 129 HG12 VAL 129 37.837 2.556 -0.148 1044 HG13 VAL 129 HG13 VAL 129 36.234 3.178 0.243 1045 HG21 VAL 129 HG21 VAL 129 35.148 1.701 -2.595 1046 HG22 VAL 129 HG22 VAL 129 34.134 1.581 -1.158 1047 HG23 VAL 129 HG23 VAL 129 35.115 3.021 -1.426 1048 H LYS 130 H LYS 130 39.556 1.786 -1.290 1049 HA LYS 130 HA LYS 130 40.779 -0.637 -0.285 1050 HB2 LYS 130 HB2 LYS 130 41.841 1.295 -1.724 1051 HB3 LYS 130 HB3 LYS 130 42.105 2.042 -0.154 1052 HG2 LYS 130 HG2 LYS 130 43.471 0.236 0.568 1053 HG3 LYS 130 HG3 LYS 130 43.035 -0.734 -0.841 1054 HD2 LYS 130 HD2 LYS 130 44.216 0.751 -2.306 1055 HD3 LYS 130 HD3 LYS 130 44.496 1.900 -0.996 1056 HE2 LYS 130 HE2 LYS 130 45.790 0.085 0.171 1057 HE3 LYS 130 HE3 LYS 130 45.663 -0.860 -1.312 1058 HZ1 LYS 130 HZ1 LYS 130 46.615 1.384 -2.307 1059 HZ2 LYS 130 HZ2 LYS 130 47.624 0.164 -1.711 1060 HZ3 LYS 130 HZ3 LYS 130 47.266 1.510 -0.750 1061 H LEU 131 H LEU 131 39.940 -1.168 1.678 1062 HA LEU 131 HA LEU 131 39.291 0.660 3.721 1063 HB2 LEU 131 HB2 LEU 131 39.662 -2.278 3.528 1064 HB3 LEU 131 HB3 LEU 131 39.682 -1.557 5.136 1065 HG LEU 131 HG LEU 131 37.473 -2.431 4.548 1066 HD11 LEU 131 HD11 LEU 131 36.183 -0.471 5.133 1067 HD12 LEU 131 HD12 LEU 131 37.520 0.580 4.668 1068 HD13 LEU 131 HD13 LEU 131 37.688 -0.497 6.053 1069 HD21 LEU 131 HD21 LEU 131 36.164 -1.510 2.773 1070 HD22 LEU 131 HD22 LEU 131 37.702 -2.044 2.094 1071 HD23 LEU 131 HD23 LEU 131 37.417 -0.328 2.391 1072 H SER 132 H SER 132 42.261 -0.957 2.853 1073 HA SER 132 HA SER 132 43.584 -0.009 5.280 1074 HB2 SER 132 HB2 SER 132 44.943 -1.549 3.084 1075 HB3 SER 132 HB3 SER 132 45.324 -1.506 4.806 1076 HG SER 132 HG SER 132 43.236 -2.859 3.481 1077 H ALA 133 H ALA 133 42.855 2.135 3.919 1078 HA ALA 133 HA ALA 133 43.538 4.020 2.829 1079 HB1 ALA 133 HB1 ALA 133 45.423 4.919 3.710 1080 HB2 ALA 133 HB2 ALA 133 45.272 3.539 4.799 1081 HB3 ALA 133 HB3 ALA 133 46.382 3.466 3.430 Start of MODEL 6 1 H MET 1 H MET 1 1.466 -0.440 -0.343 2 HA MET 1 HA MET 1 0.256 -2.065 -2.358 3 HB2 MET 1 HB2 MET 1 0.501 0.383 -3.291 4 HB3 MET 1 HB3 MET 1 2.186 -0.079 -3.489 5 HG2 MET 1 HG2 MET 1 1.506 -1.969 -4.876 6 HG3 MET 1 HG3 MET 1 -0.183 -1.508 -4.675 7 HE1 MET 1 HE1 MET 1 -1.179 -0.292 -7.153 8 HE2 MET 1 HE2 MET 1 0.120 -0.657 -8.288 9 HE3 MET 1 HE3 MET 1 -0.319 -1.829 -7.045 10 H THR 2 H THR 2 1.429 -3.858 -2.488 11 HA THR 2 HA THR 2 3.982 -4.033 -1.199 12 HB THR 2 HB THR 2 3.945 -6.401 -1.864 13 HG1 THR 2 HG1 THR 2 2.340 -7.183 -3.176 14 HG21 THR 2 HG21 THR 2 2.602 -5.447 0.104 15 HG22 THR 2 HG22 THR 2 2.183 -7.064 -0.461 16 HG23 THR 2 HG23 THR 2 1.184 -5.685 -0.917 17 H LEU 3 H LEU 3 5.905 -4.955 -2.238 18 HA LEU 3 HA LEU 3 6.686 -3.473 -4.499 19 HB2 LEU 3 HB2 LEU 3 8.032 -5.996 -3.586 20 HB3 LEU 3 HB3 LEU 3 8.755 -4.586 -4.357 21 HG LEU 3 HG LEU 3 7.700 -4.733 -1.533 22 HD11 LEU 3 HD11 LEU 3 10.421 -4.886 -2.750 23 HD12 LEU 3 HD12 LEU 3 9.717 -5.840 -1.445 24 HD13 LEU 3 HD13 LEU 3 10.213 -4.174 -1.150 25 HD21 LEU 3 HD21 LEU 3 8.741 -2.473 -3.201 26 HD22 LEU 3 HD22 LEU 3 8.932 -2.467 -1.448 27 HD23 LEU 3 HD23 LEU 3 7.319 -2.528 -2.159 28 HA PRO 4 HA PRO 4 5.380 -5.884 -7.928 29 HB2 PRO 4 HB2 PRO 4 7.404 -5.437 -9.681 30 HB3 PRO 4 HB3 PRO 4 6.204 -4.208 -9.265 31 HG2 PRO 4 HG2 PRO 4 8.988 -4.566 -8.224 32 HG3 PRO 4 HG3 PRO 4 8.156 -3.075 -8.704 33 HD2 PRO 4 HD2 PRO 4 8.425 -3.825 -6.116 34 HD3 PRO 4 HD3 PRO 4 7.017 -2.918 -6.706 35 H SER 5 H SER 5 8.384 -6.536 -6.362 36 HA SER 5 HA SER 5 9.064 -8.856 -7.909 37 HB2 SER 5 HB2 SER 5 10.159 -7.453 -5.540 38 HB3 SER 5 HB3 SER 5 10.494 -9.181 -5.637 39 HG SER 5 HG SER 5 11.306 -7.105 -7.328 40 H GLY 6 H GLY 6 6.963 -8.192 -5.280 41 HA2 GLY 6 HA2 GLY 6 5.265 -9.847 -4.763 42 HA3 GLY 6 HA3 GLY 6 6.492 -11.088 -4.970 43 H HIS 7 H HIS 7 7.979 -8.627 -3.393 44 HA HIS 7 HA HIS 7 7.662 -9.981 -0.824 45 HB2 HIS 7 HB2 HIS 7 9.830 -8.673 -2.178 46 HB3 HIS 7 HB3 HIS 7 9.566 -7.897 -0.620 47 HD1 HIS 7 HD1 HIS 7 9.078 -11.587 -1.214 48 HD2 HIS 7 HD2 HIS 7 11.741 -9.006 0.660 49 HE1 HIS 7 HE1 HIS 7 10.616 -13.061 0.122 50 HA PRO 8 HA PRO 8 5.068 -6.818 0.816 51 HB2 PRO 8 HB2 PRO 8 5.471 -7.300 3.458 52 HB3 PRO 8 HB3 PRO 8 4.488 -8.349 2.429 53 HG2 PRO 8 HG2 PRO 8 7.327 -8.686 3.316 54 HG3 PRO 8 HG3 PRO 8 6.032 -9.894 3.226 55 HD2 PRO 8 HD2 PRO 8 7.957 -9.680 1.334 56 HD3 PRO 8 HD3 PRO 8 6.301 -10.199 0.958 57 H LYS 9 H LYS 9 5.496 -4.714 0.909 58 HA LYS 9 HA LYS 9 8.090 -3.693 1.477 59 HB2 LYS 9 HB2 LYS 9 7.017 -1.474 1.248 60 HB3 LYS 9 HB3 LYS 9 6.647 -2.548 -0.095 61 HG2 LYS 9 HG2 LYS 9 4.549 -1.835 0.256 62 HG3 LYS 9 HG3 LYS 9 4.554 -3.068 1.519 63 HD2 LYS 9 HD2 LYS 9 3.824 -1.276 2.735 64 HD3 LYS 9 HD3 LYS 9 5.566 -1.086 2.950 65 HE2 LYS 9 HE2 LYS 9 5.681 0.706 1.507 66 HE3 LYS 9 HE3 LYS 9 4.231 0.226 0.626 67 HZ1 LYS 9 HZ1 LYS 9 3.723 2.144 1.913 68 HZ2 LYS 9 HZ2 LYS 9 4.360 1.459 3.322 69 HZ3 LYS 9 HZ3 LYS 9 2.944 0.832 2.643 70 H SER 10 H SER 10 5.036 -3.757 3.264 71 HA SER 10 HA SER 10 5.844 -2.185 5.442 72 HB2 SER 10 HB2 SER 10 4.016 -3.561 6.666 73 HB3 SER 10 HB3 SER 10 3.534 -2.556 5.299 74 HG SER 10 HG SER 10 3.204 -4.307 4.101 75 H ARG 11 H ARG 11 6.367 -5.550 4.678 76 HA ARG 11 HA ARG 11 7.279 -6.271 7.304 77 HB2 ARG 11 HB2 ARG 11 6.365 -7.714 5.209 78 HB3 ARG 11 HB3 ARG 11 8.097 -7.917 4.986 79 HG2 ARG 11 HG2 ARG 11 7.626 -9.714 6.313 80 HG3 ARG 11 HG3 ARG 11 8.043 -8.512 7.537 81 HD2 ARG 11 HD2 ARG 11 6.078 -9.441 8.356 82 HD3 ARG 11 HD3 ARG 11 5.523 -7.975 7.549 83 HE ARG 11 HE ARG 11 5.400 -10.030 5.687 84 HH11 ARG 11 HH11 ARG 11 3.933 -9.196 8.732 85 HH12 ARG 11 HH12 ARG 11 2.446 -10.017 8.389 86 HH21 ARG 11 HH21 ARG 11 3.447 -11.114 5.224 87 HH22 ARG 11 HH22 ARG 11 2.171 -11.108 6.394 88 H LEU 12 H LEU 12 8.817 -5.513 4.203 89 HA LEU 12 HA LEU 12 11.473 -5.963 5.084 90 HB2 LEU 12 HB2 LEU 12 10.138 -5.010 2.702 91 HB3 LEU 12 HB3 LEU 12 11.596 -4.078 3.039 92 HG LEU 12 HG LEU 12 12.954 -6.059 2.932 93 HD11 LEU 12 HD11 LEU 12 11.333 -7.604 3.957 94 HD12 LEU 12 HD12 LEU 12 12.045 -8.252 2.480 95 HD13 LEU 12 HD13 LEU 12 10.407 -7.600 2.456 96 HD21 LEU 12 HD21 LEU 12 11.007 -5.984 0.628 97 HD22 LEU 12 HD22 LEU 12 12.624 -6.687 0.599 98 HD23 LEU 12 HD23 LEU 12 12.422 -4.949 0.819 99 H ILE 13 H ILE 13 9.552 -2.996 4.693 100 HA ILE 13 HA ILE 13 11.465 -1.145 5.473 101 HB ILE 13 HB ILE 13 8.475 -1.107 5.860 102 HG12 ILE 13 HG12 ILE 13 9.368 -1.110 3.529 103 HG13 ILE 13 HG13 ILE 13 8.471 0.350 3.932 104 HG21 ILE 13 HG21 ILE 13 9.014 1.461 6.010 105 HG22 ILE 13 HG22 ILE 13 9.056 0.439 7.446 106 HG23 ILE 13 HG23 ILE 13 10.558 0.876 6.630 107 HD11 ILE 13 HD11 ILE 13 10.576 1.536 4.289 108 HD12 ILE 13 HD12 ILE 13 11.466 0.073 3.865 109 HD13 ILE 13 HD13 ILE 13 10.461 0.874 2.658 110 H LYS 14 H LYS 14 9.163 -2.951 7.483 111 HA LYS 14 HA LYS 14 9.969 -1.782 9.938 112 HB2 LYS 14 HB2 LYS 14 8.475 -4.307 9.252 113 HB3 LYS 14 HB3 LYS 14 8.835 -3.861 10.914 114 HG2 LYS 14 HG2 LYS 14 7.515 -1.834 9.199 115 HG3 LYS 14 HG3 LYS 14 6.556 -3.212 9.742 116 HD2 LYS 14 HD2 LYS 14 6.190 -1.805 11.497 117 HD3 LYS 14 HD3 LYS 14 7.668 -2.581 12.070 118 HE2 LYS 14 HE2 LYS 14 8.963 -0.730 11.646 119 HE3 LYS 14 HE3 LYS 14 7.887 -0.134 10.383 120 HZ1 LYS 14 HZ1 LYS 14 7.825 0.339 13.233 121 HZ2 LYS 14 HZ2 LYS 14 6.316 0.003 12.549 122 HZ3 LYS 14 HZ3 LYS 14 7.241 1.293 11.963 123 H LYS 15 H LYS 15 11.053 -4.568 8.107 124 HA LYS 15 HA LYS 15 12.643 -5.721 10.157 125 HB2 LYS 15 HB2 LYS 15 12.348 -6.071 7.220 126 HB3 LYS 15 HB3 LYS 15 13.837 -6.654 7.951 127 HG2 LYS 15 HG2 LYS 15 12.297 -7.861 9.619 128 HG3 LYS 15 HG3 LYS 15 11.025 -7.555 8.434 129 HD2 LYS 15 HD2 LYS 15 13.626 -8.848 7.665 130 HD3 LYS 15 HD3 LYS 15 12.272 -9.789 8.295 131 HE2 LYS 15 HE2 LYS 15 12.153 -7.975 5.887 132 HE3 LYS 15 HE3 LYS 15 12.346 -9.726 5.824 133 HZ1 LYS 15 HZ1 LYS 15 9.975 -8.202 6.124 134 HZ2 LYS 15 HZ2 LYS 15 10.150 -9.269 7.425 135 HZ3 LYS 15 HZ3 LYS 15 10.148 -9.861 5.840 136 H PHE 16 H PHE 16 13.413 -3.595 7.415 137 HA PHE 16 HA PHE 16 16.168 -3.423 7.838 138 HB2 PHE 16 HB2 PHE 16 14.238 -1.435 6.633 139 HB3 PHE 16 HB3 PHE 16 15.987 -1.241 6.592 140 HD1 PHE 16 HD2 PHE 16 17.045 -3.789 5.928 141 HD2 PHE 16 HD1 PHE 16 13.453 -1.970 4.549 142 HE1 PHE 16 HE2 PHE 16 17.148 -5.147 3.879 143 HE2 PHE 16 HE1 PHE 16 13.549 -3.326 2.499 144 HZ PHE 16 HZ PHE 16 15.399 -4.916 2.161 145 H THR 17 H THR 17 13.503 -1.812 9.404 146 HA THR 17 HA THR 17 14.874 0.325 10.592 147 HB THR 17 HB THR 17 12.546 -1.152 11.826 148 HG1 THR 17 HG1 THR 17 11.377 0.596 10.605 149 HG21 THR 17 HG21 THR 17 12.006 1.006 12.804 150 HG22 THR 17 HG22 THR 17 13.378 1.748 11.979 151 HG23 THR 17 HG23 THR 17 13.651 0.544 13.239 152 H ALA 18 H ALA 18 14.919 -3.044 11.272 153 HA ALA 18 HA ALA 18 15.806 -2.808 13.998 154 HB1 ALA 18 HB1 ALA 18 15.860 -5.176 12.130 155 HB2 ALA 18 HB2 ALA 18 16.168 -5.224 13.867 156 HB3 ALA 18 HB3 ALA 18 14.571 -4.776 13.266 157 H LEU 19 H LEU 19 17.271 -2.303 11.036 158 HA LEU 19 HA LEU 19 19.934 -3.033 12.039 159 HB2 LEU 19 HB2 LEU 19 19.262 -2.174 9.240 160 HB3 LEU 19 HB3 LEU 19 20.701 -3.021 9.805 161 HG LEU 19 HG LEU 19 17.949 -4.247 9.821 162 HD11 LEU 19 HD11 LEU 19 19.312 -5.507 7.832 163 HD12 LEU 19 HD12 LEU 19 19.834 -3.837 7.619 164 HD13 LEU 19 HD13 LEU 19 18.116 -4.234 7.588 165 HD21 LEU 19 HD21 LEU 19 20.671 -5.114 10.554 166 HD22 LEU 19 HD22 LEU 19 19.708 -6.274 9.638 167 HD23 LEU 19 HD23 LEU 19 19.104 -5.640 11.170 168 H GLY 20 H GLY 20 17.976 -0.480 12.182 169 HA2 GLY 20 HA2 GLY 20 19.809 1.386 12.987 170 HA3 GLY 20 HA3 GLY 20 19.688 1.626 11.250 171 HA PRO 21 HA PRO 21 16.502 4.378 13.010 172 HB2 PRO 21 HB2 PRO 21 16.682 6.204 11.009 173 HB3 PRO 21 HB3 PRO 21 17.778 6.187 12.395 174 HG2 PRO 21 HG2 PRO 21 18.202 5.116 9.632 175 HG3 PRO 21 HG3 PRO 21 19.318 6.035 10.659 176 HD2 PRO 21 HD2 PRO 21 19.473 3.346 10.382 177 HD3 PRO 21 HD3 PRO 21 19.918 4.178 11.886 178 H TYR 22 H TYR 22 14.474 5.197 12.047 179 HA TYR 22 HA TYR 22 13.119 3.188 10.621 180 HB2 TYR 22 HB2 TYR 22 11.309 4.969 10.406 181 HB3 TYR 22 HB3 TYR 22 11.817 4.563 12.041 182 HD1 TYR 22 HD1 TYR 22 12.190 7.079 9.346 183 HD2 TYR 22 HD2 TYR 22 12.713 6.209 13.478 184 HE1 TYR 22 HE1 TYR 22 12.666 9.453 9.780 185 HE2 TYR 22 HE2 TYR 22 13.189 8.580 13.923 186 HH TYR 22 HH TYR 22 13.611 10.579 12.998 187 H ILE 23 H ILE 23 12.352 3.096 8.512 188 HA ILE 23 HA ILE 23 13.924 4.644 6.590 189 HB ILE 23 HB ILE 23 12.210 2.195 6.156 190 HG12 ILE 23 HG12 ILE 23 14.638 1.294 5.650 191 HG13 ILE 23 HG13 ILE 23 15.121 2.619 6.702 192 HG21 ILE 23 HG21 ILE 23 12.223 2.959 4.039 193 HG22 ILE 23 HG22 ILE 23 13.590 4.035 4.326 194 HG23 ILE 23 HG23 ILE 23 13.866 2.319 4.023 195 HD11 ILE 23 HD11 ILE 23 14.010 1.705 8.544 196 HD12 ILE 23 HD12 ILE 23 13.070 0.602 7.538 197 HD13 ILE 23 HD13 ILE 23 14.799 0.336 7.761 198 H ARG 24 H ARG 24 13.010 5.838 4.938 199 HA ARG 24 HA ARG 24 10.412 6.933 5.488 200 HB2 ARG 24 HB2 ARG 24 12.455 7.449 3.330 201 HB3 ARG 24 HB3 ARG 24 10.898 8.266 3.375 202 HG2 ARG 24 HG2 ARG 24 12.699 8.325 5.759 203 HG3 ARG 24 HG3 ARG 24 12.970 9.417 4.400 204 HD2 ARG 24 HD2 ARG 24 10.351 9.807 4.733 205 HD3 ARG 24 HD3 ARG 24 10.771 9.351 6.384 206 HE ARG 24 HE ARG 24 11.336 11.822 5.114 207 HH11 ARG 24 HH11 ARG 24 12.653 9.512 7.361 208 HH12 ARG 24 HH12 ARG 24 13.610 10.684 8.206 209 HH21 ARG 24 HH21 ARG 24 12.591 13.374 6.218 210 HH22 ARG 24 HH22 ARG 24 13.573 12.880 7.556 211 H GLU 25 H GLU 25 8.874 5.360 5.144 212 HA GLU 25 HA GLU 25 8.754 4.108 2.498 213 HB2 GLU 25 HB2 GLU 25 7.092 2.609 3.473 214 HB3 GLU 25 HB3 GLU 25 8.559 2.626 4.443 215 HG2 GLU 25 HG2 GLU 25 6.908 2.709 6.041 216 HG3 GLU 25 HG3 GLU 25 7.327 4.410 5.847 217 H GLY 26 H GLY 26 6.646 3.977 1.410 218 HA2 GLY 26 HA2 GLY 26 4.620 5.906 2.130 219 HA3 GLY 26 HA3 GLY 26 5.554 6.353 0.710 220 H GLN 27 H GLN 27 2.998 6.127 0.221 221 HA GLN 27 HA GLN 27 2.663 3.458 -0.983 222 HB2 GLN 27 HB2 GLN 27 0.712 5.273 0.372 223 HB3 GLN 27 HB3 GLN 27 0.141 4.218 -0.915 224 HG2 GLN 27 HG2 GLN 27 0.703 2.278 0.277 225 HG3 GLN 27 HG3 GLN 27 1.704 3.172 1.419 226 HE21 GLN 27 HE21 GLN 27 0.380 1.959 2.974 227 HE22 GLN 27 HE22 GLN 27 -1.135 2.631 3.462 228 H CYS 28 H CYS 28 2.697 3.431 -3.124 229 HA CYS 28 HA CYS 28 2.675 4.108 -5.296 230 HB2 CYS 28 HB2 CYS 28 0.432 5.837 -4.236 231 HB3 CYS 28 HB3 CYS 28 0.797 5.632 -5.945 232 HG CYS 28 HG CYS 28 -1.086 3.850 -6.007 233 H GLU 29 H GLU 29 4.381 5.539 -3.346 234 HA GLU 29 HA GLU 29 4.549 8.196 -4.575 235 HB2 GLU 29 HB2 GLU 29 4.526 8.249 -2.170 236 HB3 GLU 29 HB3 GLU 29 5.809 7.051 -2.082 237 HG2 GLU 29 HG2 GLU 29 7.335 8.669 -3.163 238 HG3 GLU 29 HG3 GLU 29 6.047 9.870 -3.103 239 H ASP 30 H ASP 30 6.409 5.257 -4.011 240 HA ASP 30 HA ASP 30 7.960 5.627 -6.357 241 HB2 ASP 30 HB2 ASP 30 10.091 6.138 -5.498 242 HB3 ASP 30 HB3 ASP 30 9.009 7.256 -4.672 243 H ASN 31 H ASN 31 9.558 3.886 -6.656 244 HA ASN 31 HA ASN 31 8.781 1.492 -5.127 245 HB2 ASN 31 HB2 ASN 31 9.414 0.197 -7.137 246 HB3 ASN 31 HB3 ASN 31 8.131 1.356 -7.472 247 HD21 ASN 31 HD21 ASN 31 8.636 3.254 -8.635 248 HD22 ASN 31 HD22 ASN 31 10.021 3.321 -9.666 249 H ARG 32 H ARG 32 10.892 3.428 -4.444 250 HA ARG 32 HA ARG 32 13.201 1.599 -4.546 251 HB2 ARG 32 HB2 ARG 32 13.250 3.939 -5.777 252 HB3 ARG 32 HB3 ARG 32 13.587 4.535 -4.158 253 HG2 ARG 32 HG2 ARG 32 15.653 4.182 -5.326 254 HG3 ARG 32 HG3 ARG 32 15.511 2.995 -4.028 255 HD2 ARG 32 HD2 ARG 32 16.346 2.096 -6.220 256 HD3 ARG 32 HD3 ARG 32 14.939 1.269 -5.553 257 HE ARG 32 HE ARG 32 13.718 1.962 -7.361 258 HH11 ARG 32 HH11 ARG 32 16.659 3.817 -7.189 259 HH12 ARG 32 HH12 ARG 32 16.420 4.581 -8.726 260 HH21 ARG 32 HH21 ARG 32 13.393 2.960 -9.386 261 HH22 ARG 32 HH22 ARG 32 14.562 4.093 -9.974 262 H PHE 33 H PHE 33 14.687 1.790 -2.702 263 HA PHE 33 HA PHE 33 13.182 2.281 -0.229 264 HB2 PHE 33 HB2 PHE 33 15.417 0.427 -0.958 265 HB3 PHE 33 HB3 PHE 33 15.217 0.916 0.722 266 HD1 PHE 33 HD1 PHE 33 12.448 0.918 1.249 267 HD2 PHE 33 HD2 PHE 33 14.641 -1.699 -1.292 268 HE1 PHE 33 HE1 PHE 33 10.724 -0.812 1.549 269 HE2 PHE 33 HE2 PHE 33 12.921 -3.433 -0.997 270 HZ PHE 33 HZ PHE 33 10.959 -2.991 0.424 271 H PHE 34 H PHE 34 13.672 3.983 0.976 272 HA PHE 34 HA PHE 34 16.103 5.486 0.395 273 HB2 PHE 34 HB2 PHE 34 13.764 6.530 0.577 274 HB3 PHE 34 HB3 PHE 34 13.932 6.306 2.315 275 HD1 PHE 34 HD1 PHE 34 16.362 7.401 -0.288 276 HD2 PHE 34 HD2 PHE 34 14.246 8.372 3.275 277 HE1 PHE 34 HE1 PHE 34 17.596 9.525 -0.139 278 HE2 PHE 34 HE2 PHE 34 15.476 10.498 3.430 279 HZ PHE 34 HZ PHE 34 17.152 11.077 1.721 280 H PHE 35 H PHE 35 17.590 6.113 1.992 281 HA PHE 35 HA PHE 35 17.373 4.967 4.649 282 HB2 PHE 35 HB2 PHE 35 19.291 3.993 2.578 283 HB3 PHE 35 HB3 PHE 35 19.838 4.086 4.249 284 HD1 PHE 35 HD1 PHE 35 17.921 3.126 5.943 285 HD2 PHE 35 HD2 PHE 35 18.570 1.935 1.909 286 HE1 PHE 35 HE1 PHE 35 16.849 0.962 6.413 287 HE2 PHE 35 HE2 PHE 35 17.497 -0.231 2.372 288 HZ PHE 35 HZ PHE 35 16.636 -0.720 4.627 289 H ASP 36 H ASP 36 18.478 6.109 6.167 290 HA ASP 36 HA ASP 36 19.968 8.452 5.196 291 HB2 ASP 36 HB2 ASP 36 18.933 8.198 8.000 292 HB3 ASP 36 HB3 ASP 36 19.234 9.652 7.053 293 H CYS 37 H CYS 37 22.096 8.215 5.287 294 HA CYS 37 HA CYS 37 23.260 6.523 7.381 295 HB2 CYS 37 HB2 CYS 37 24.320 7.504 4.733 296 HB3 CYS 37 HB3 CYS 37 25.351 6.737 5.935 297 HG CYS 37 HG CYS 37 24.692 4.899 3.900 298 H LEU 38 H LEU 38 23.455 7.802 9.154 299 HA LEU 38 HA LEU 38 24.906 10.345 8.835 300 HB2 LEU 38 HB2 LEU 38 23.047 9.428 11.023 301 HB3 LEU 38 HB3 LEU 38 23.948 10.943 11.043 302 HG LEU 38 HG LEU 38 21.709 10.169 9.180 303 HD11 LEU 38 HD11 LEU 38 20.381 11.320 10.536 304 HD12 LEU 38 HD12 LEU 38 21.494 12.687 10.566 305 HD13 LEU 38 HD13 LEU 38 21.706 11.353 11.700 306 HD21 LEU 38 HD21 LEU 38 23.766 12.311 9.004 307 HD22 LEU 38 HD22 LEU 38 22.112 12.688 8.519 308 HD23 LEU 38 HD23 LEU 38 22.990 11.380 7.723 309 H ALA 39 H ALA 39 27.008 9.998 9.180 310 HA ALA 39 HA ALA 39 27.802 8.229 11.393 311 HB1 ALA 39 HB1 ALA 39 30.113 8.591 10.125 312 HB2 ALA 39 HB2 ALA 39 28.951 7.355 9.641 313 HB3 ALA 39 HB3 ALA 39 29.018 8.889 8.774 314 H VAL 40 H VAL 40 29.078 11.153 9.786 315 HA VAL 40 HA VAL 40 29.510 12.336 12.441 316 HB VAL 40 HB VAL 40 31.665 13.329 11.446 317 HG11 VAL 40 HG11 VAL 40 31.799 11.821 13.271 318 HG12 VAL 40 HG12 VAL 40 31.400 10.440 12.248 319 HG13 VAL 40 HG13 VAL 40 32.954 11.254 12.066 320 HG21 VAL 40 HG21 VAL 40 30.883 12.125 9.168 321 HG22 VAL 40 HG22 VAL 40 32.564 12.504 9.543 322 HG23 VAL 40 HG23 VAL 40 31.942 10.878 9.828 323 H CYS 41 H CYS 41 29.628 14.645 12.460 324 HA CYS 41 HA CYS 41 28.018 15.841 10.350 325 HB2 CYS 41 HB2 CYS 41 27.805 17.750 11.875 326 HB3 CYS 41 HB3 CYS 41 27.378 16.246 12.682 327 HG CYS 41 HG CYS 41 30.344 17.916 13.047 328 H VAL 42 H VAL 42 28.638 17.600 9.114 329 HA VAL 42 HA VAL 42 31.475 17.823 8.635 330 HB VAL 42 HB VAL 42 30.007 17.786 6.717 331 HG11 VAL 42 HG11 VAL 42 28.807 20.382 6.892 332 HG12 VAL 42 HG12 VAL 42 28.036 18.809 6.679 333 HG13 VAL 42 HG13 VAL 42 28.360 19.421 8.301 334 HG21 VAL 42 HG21 VAL 42 31.061 20.594 6.959 335 HG22 VAL 42 HG22 VAL 42 32.103 19.193 6.716 336 HG23 VAL 42 HG23 VAL 42 30.897 19.616 5.501 337 H ASN 43 H ASN 43 28.958 19.724 10.137 338 HA ASN 43 HA ASN 43 30.743 21.312 11.600 339 HB2 ASN 43 HB2 ASN 43 30.136 22.285 8.923 340 HB3 ASN 43 HB3 ASN 43 29.670 23.441 10.167 341 HD21 ASN 43 HD21 ASN 43 31.923 23.162 8.106 342 HD22 ASN 43 HD22 ASN 43 33.341 23.552 9.013 343 H VAL 44 H VAL 44 29.691 22.668 13.084 344 HA VAL 44 HA VAL 44 26.747 22.569 13.024 345 HB VAL 44 HB VAL 44 27.755 20.938 14.661 346 HG11 VAL 44 HG11 VAL 44 29.618 22.546 15.292 347 HG12 VAL 44 HG12 VAL 44 28.425 23.369 16.298 348 HG13 VAL 44 HG13 VAL 44 28.835 21.683 16.616 349 HG21 VAL 44 HG21 VAL 44 25.803 21.130 15.703 350 HG22 VAL 44 HG22 VAL 44 26.338 22.599 16.518 351 HG23 VAL 44 HG23 VAL 44 25.579 22.699 14.929 352 H LYS 45 H LYS 45 29.340 24.524 12.878 353 HA LYS 45 HA LYS 45 29.015 26.549 14.720 354 HB2 LYS 45 HB2 LYS 45 30.151 26.322 12.017 355 HB3 LYS 45 HB3 LYS 45 29.657 27.951 12.460 356 HG2 LYS 45 HG2 LYS 45 31.627 28.153 13.458 357 HG3 LYS 45 HG3 LYS 45 31.023 27.039 14.687 358 HD2 LYS 45 HD2 LYS 45 32.069 25.199 13.704 359 HD3 LYS 45 HD3 LYS 45 32.257 26.018 12.152 360 HE2 LYS 45 HE2 LYS 45 33.932 27.488 13.093 361 HE3 LYS 45 HE3 LYS 45 33.689 26.788 14.693 362 HZ1 LYS 45 HZ1 LYS 45 35.535 25.980 12.877 363 HZ2 LYS 45 HZ2 LYS 45 34.310 24.829 12.691 364 HZ3 LYS 45 HZ3 LYS 45 35.012 25.080 14.210 365 HA PRO 46 HA PRO 46 25.835 28.713 11.794 366 HB2 PRO 46 HB2 PRO 46 24.859 27.255 9.723 367 HB3 PRO 46 HB3 PRO 46 26.310 28.256 9.593 368 HG2 PRO 46 HG2 PRO 46 26.079 25.302 10.021 369 HG3 PRO 46 HG3 PRO 46 27.181 26.197 8.957 370 HD2 PRO 46 HD2 PRO 46 27.948 25.228 11.366 371 HD3 PRO 46 HD3 PRO 46 28.620 26.721 10.679 372 H ALA 47 H ALA 47 23.454 28.525 11.507 373 HA ALA 47 HA ALA 47 22.216 27.269 13.627 374 HB1 ALA 47 HB1 ALA 47 20.801 28.818 12.811 375 HB2 ALA 47 HB2 ALA 47 21.310 28.559 11.142 376 HB3 ALA 47 HB3 ALA 47 20.156 27.457 11.892 377 HA PRO 48 HA PRO 48 21.607 23.043 12.617 378 HB2 PRO 48 HB2 PRO 48 19.102 22.577 13.554 379 HB3 PRO 48 HB3 PRO 48 20.494 22.826 14.615 380 HG2 PRO 48 HG2 PRO 48 18.368 24.766 13.791 381 HG3 PRO 48 HG3 PRO 48 19.086 24.505 15.392 382 HD2 PRO 48 HD2 PRO 48 19.829 26.548 13.778 383 HD3 PRO 48 HD3 PRO 48 20.957 25.755 14.895 384 H GLU 49 H GLU 49 19.279 25.364 11.448 385 HA GLU 49 HA GLU 49 17.752 23.666 9.802 386 HB2 GLU 49 HB2 GLU 49 17.092 25.727 8.621 387 HB3 GLU 49 HB3 GLU 49 16.989 25.901 10.368 388 HG2 GLU 49 HG2 GLU 49 19.431 26.853 10.062 389 HG3 GLU 49 HG3 GLU 49 18.836 27.187 8.437 390 H LYS 50 H LYS 50 20.905 25.040 9.438 391 HA LYS 50 HA LYS 50 21.007 24.103 6.647 392 HB2 LYS 50 HB2 LYS 50 22.748 26.145 8.042 393 HB3 LYS 50 HB3 LYS 50 22.932 25.627 6.372 394 HG2 LYS 50 HG2 LYS 50 21.222 26.896 5.650 395 HG3 LYS 50 HG3 LYS 50 20.259 26.616 7.102 396 HD2 LYS 50 HD2 LYS 50 20.912 28.957 6.937 397 HD3 LYS 50 HD3 LYS 50 21.672 28.195 8.336 398 HE2 LYS 50 HE2 LYS 50 23.759 28.359 7.460 399 HE3 LYS 50 HE3 LYS 50 23.197 28.143 5.803 400 HZ1 LYS 50 HZ1 LYS 50 24.058 30.456 6.714 401 HZ2 LYS 50 HZ2 LYS 50 22.431 30.613 7.150 402 HZ3 LYS 50 HZ3 LYS 50 22.851 30.348 5.533 403 H ARG 51 H ARG 51 21.471 22.723 9.359 404 HA ARG 51 HA ARG 51 24.223 22.050 9.482 405 HB2 ARG 51 HB2 ARG 51 22.323 21.771 11.256 406 HB3 ARG 51 HB3 ARG 51 22.068 20.217 10.472 407 HG2 ARG 51 HG2 ARG 51 23.536 19.545 12.048 408 HG3 ARG 51 HG3 ARG 51 24.704 20.066 10.833 409 HD2 ARG 51 HD2 ARG 51 25.446 21.045 12.828 410 HD3 ARG 51 HD3 ARG 51 24.616 22.345 11.974 411 HE ARG 51 HE ARG 51 23.132 22.450 13.699 412 HH11 ARG 51 HH11 ARG 51 24.681 19.333 13.757 413 HH12 ARG 51 HH12 ARG 51 23.930 18.842 15.239 414 HH21 ARG 51 HH21 ARG 51 22.137 21.816 15.651 415 HH22 ARG 51 HH22 ARG 51 22.483 20.255 16.316 416 H GLU 52 H GLU 52 25.321 20.242 8.748 417 HA GLU 52 HA GLU 52 23.896 18.446 6.920 418 HB2 GLU 52 HB2 GLU 52 26.388 20.024 6.290 419 HB3 GLU 52 HB3 GLU 52 25.907 18.601 5.376 420 HG2 GLU 52 HG2 GLU 52 24.018 19.642 4.508 421 HG3 GLU 52 HG3 GLU 52 24.027 20.898 5.745 422 H PHE 53 H PHE 53 24.733 16.374 6.766 423 HA PHE 53 HA PHE 53 27.021 15.755 8.509 424 HB2 PHE 53 HB2 PHE 53 24.591 13.981 8.283 425 HB3 PHE 53 HB3 PHE 53 25.912 13.867 9.442 426 HD1 PHE 53 HD2 PHE 53 26.167 16.591 10.416 427 HD2 PHE 53 HD1 PHE 53 22.670 14.342 9.505 428 HE1 PHE 53 HE2 PHE 53 24.881 17.949 12.015 429 HE2 PHE 53 HE1 PHE 53 21.379 15.697 11.102 430 HZ PHE 53 HZ PHE 53 22.484 17.502 12.360 431 H TRP 54 H TRP 54 28.222 13.881 7.944 432 HA TRP 54 HA TRP 54 28.307 13.424 5.098 433 HB2 TRP 54 HB2 TRP 54 29.983 12.272 7.340 434 HB3 TRP 54 HB3 TRP 54 30.301 12.052 5.621 435 HD1 TRP 54 HD1 TRP 54 31.548 14.018 8.334 436 HE1 TRP 54 HE1 TRP 54 32.614 16.222 7.540 437 HE3 TRP 54 HE3 TRP 54 29.639 14.181 3.595 438 HZ2 TRP 54 HZ2 TRP 54 32.641 17.819 5.212 439 HZ3 TRP 54 HZ3 TRP 54 30.233 16.081 2.149 440 HH2 TRP 54 HH2 TRP 54 31.703 17.861 2.943 441 H GLY 55 H GLY 55 28.127 11.397 4.059 442 HA2 GLY 55 HA2 GLY 55 27.465 8.984 5.337 443 HA3 GLY 55 HA3 GLY 55 25.973 9.806 4.905 444 H TRP 56 H TRP 56 26.334 7.416 3.799 445 HA TRP 56 HA TRP 56 27.086 8.042 1.020 446 HB2 TRP 56 HB2 TRP 56 27.700 5.611 0.797 447 HB3 TRP 56 HB3 TRP 56 28.762 6.546 1.846 448 HD1 TRP 56 HD1 TRP 56 28.484 6.126 4.533 449 HE1 TRP 56 HE1 TRP 56 27.717 4.030 5.814 450 HE3 TRP 56 HE3 TRP 56 26.185 3.634 0.707 451 HZ2 TRP 56 HZ2 TRP 56 26.322 1.636 5.274 452 HZ3 TRP 56 HZ3 TRP 56 25.159 1.446 1.173 453 HH2 TRP 56 HH2 TRP 56 25.228 0.469 3.409 454 H TRP 57 H TRP 57 25.255 8.201 -0.096 455 HA TRP 57 HA TRP 57 22.762 7.242 0.600 456 HB2 TRP 57 HB2 TRP 57 23.741 7.585 -2.239 457 HB3 TRP 57 HB3 TRP 57 22.078 7.690 -1.667 458 HD1 TRP 57 HD1 TRP 57 22.339 9.667 0.721 459 HE1 TRP 57 HE1 TRP 57 22.991 12.127 0.333 460 HE3 TRP 57 HE3 TRP 57 24.605 9.198 -3.838 461 HZ2 TRP 57 HZ2 TRP 57 24.293 13.665 -1.643 462 HZ3 TRP 57 HZ3 TRP 57 25.527 11.212 -4.910 463 HH2 TRP 57 HH2 TRP 57 25.373 13.398 -3.834 464 H MET 58 H MET 58 21.528 5.447 0.028 465 HA MET 58 HA MET 58 23.013 3.185 -1.130 466 HB2 MET 58 HB2 MET 58 22.453 3.273 1.484 467 HB3 MET 58 HB3 MET 58 20.924 2.622 0.909 468 HG2 MET 58 HG2 MET 58 23.199 1.268 -0.266 469 HG3 MET 58 HG3 MET 58 23.210 1.196 1.495 470 HE1 MET 58 HE1 MET 58 21.995 -1.785 1.971 471 HE2 MET 58 HE2 MET 58 22.399 -0.228 2.695 472 HE3 MET 58 HE3 MET 58 20.732 -0.806 2.716 473 H GLU 59 H GLU 59 22.103 2.741 -3.025 474 HA GLU 59 HA GLU 59 19.169 2.897 -3.242 475 HB2 GLU 59 HB2 GLU 59 20.871 4.334 -4.716 476 HB3 GLU 59 HB3 GLU 59 20.864 2.868 -5.686 477 HG2 GLU 59 HG2 GLU 59 19.188 4.076 -6.671 478 HG3 GLU 59 HG3 GLU 59 18.280 3.094 -5.523 479 H LEU 60 H LEU 60 18.271 0.952 -3.157 480 HA LEU 60 HA LEU 60 19.479 -1.222 -4.717 481 HB2 LEU 60 HB2 LEU 60 19.117 -2.814 -2.978 482 HB3 LEU 60 HB3 LEU 60 20.056 -1.476 -2.319 483 HG LEU 60 HG LEU 60 17.081 -1.667 -1.936 484 HD11 LEU 60 HD11 LEU 60 18.035 -3.731 -1.080 485 HD12 LEU 60 HD12 LEU 60 17.528 -2.684 0.246 486 HD13 LEU 60 HD13 LEU 60 19.237 -2.816 -0.169 487 HD21 LEU 60 HD21 LEU 60 17.418 0.318 -0.999 488 HD22 LEU 60 HD22 LEU 60 19.166 0.172 -1.187 489 HD23 LEU 60 HD23 LEU 60 18.373 -0.491 0.243 490 H GLU 61 H GLU 61 17.966 -2.937 -5.275 491 HA GLU 61 HA GLU 61 15.138 -2.191 -5.079 492 HB2 GLU 61 HB2 GLU 61 16.133 -1.387 -7.260 493 HB3 GLU 61 HB3 GLU 61 16.400 -3.074 -7.674 494 HG2 GLU 61 HG2 GLU 61 13.861 -3.321 -7.184 495 HG3 GLU 61 HG3 GLU 61 13.837 -1.573 -7.414 496 H ALA 62 H ALA 62 14.230 -3.848 -4.061 497 HA ALA 62 HA ALA 62 15.236 -6.408 -3.775 498 HB1 ALA 62 HB1 ALA 62 13.471 -6.669 -2.448 499 HB2 ALA 62 HB2 ALA 62 12.985 -5.036 -2.906 500 HB3 ALA 62 HB3 ALA 62 12.344 -6.426 -3.783 501 H GLN 63 H GLN 63 15.680 -7.852 -5.299 502 HA GLN 63 HA GLN 63 14.388 -7.815 -7.861 503 HB2 GLN 63 HB2 GLN 63 16.838 -8.629 -7.010 504 HB3 GLN 63 HB3 GLN 63 16.007 -10.173 -7.141 505 HG2 GLN 63 HG2 GLN 63 17.270 -9.468 -9.175 506 HG3 GLN 63 HG3 GLN 63 15.569 -9.846 -9.443 507 HE21 GLN 63 HE21 GLN 63 14.268 -8.334 -10.291 508 HE22 GLN 63 HE22 GLN 63 14.750 -6.719 -10.668 509 H GLU 64 H GLU 64 13.812 -10.159 -8.742 510 HA GLU 64 HA GLU 64 11.359 -10.868 -7.727 511 HB2 GLU 64 HB2 GLU 64 12.570 -11.565 -9.929 512 HB3 GLU 64 HB3 GLU 64 13.106 -12.952 -8.991 513 HG2 GLU 64 HG2 GLU 64 10.784 -13.545 -8.532 514 HG3 GLU 64 HG3 GLU 64 10.244 -12.152 -9.468 515 H LYS 65 H LYS 65 14.477 -12.448 -7.073 516 HA LYS 65 HA LYS 65 13.446 -13.332 -4.492 517 HB2 LYS 65 HB2 LYS 65 14.014 -15.619 -4.788 518 HB3 LYS 65 HB3 LYS 65 13.060 -15.162 -6.194 519 HG2 LYS 65 HG2 LYS 65 16.067 -15.250 -6.161 520 HG3 LYS 65 HG3 LYS 65 15.040 -16.581 -6.700 521 HD2 LYS 65 HD2 LYS 65 14.005 -14.555 -8.150 522 HD3 LYS 65 HD3 LYS 65 15.682 -14.019 -8.017 523 HE2 LYS 65 HE2 LYS 65 14.866 -16.772 -8.931 524 HE3 LYS 65 HE3 LYS 65 15.171 -15.428 -10.029 525 HZ1 LYS 65 HZ1 LYS 65 17.399 -15.468 -9.611 526 HZ2 LYS 65 HZ2 LYS 65 17.051 -17.112 -9.419 527 HZ3 LYS 65 HZ3 LYS 65 17.229 -16.122 -8.060 528 H ARG 66 H ARG 66 15.578 -11.531 -5.823 529 HA ARG 66 HA ARG 66 17.742 -12.342 -4.011 530 HB2 ARG 66 HB2 ARG 66 17.937 -11.701 -6.932 531 HB3 ARG 66 HB3 ARG 66 19.289 -11.344 -5.866 532 HG2 ARG 66 HG2 ARG 66 19.759 -13.550 -5.490 533 HG3 ARG 66 HG3 ARG 66 18.097 -14.066 -5.785 534 HD2 ARG 66 HD2 ARG 66 18.354 -13.805 -8.141 535 HD3 ARG 66 HD3 ARG 66 19.914 -13.007 -7.939 536 HE ARG 66 HE ARG 66 19.914 -15.638 -6.841 537 HH11 ARG 66 HH11 ARG 66 20.148 -13.847 -9.818 538 HH12 ARG 66 HH12 ARG 66 21.061 -15.072 -10.635 539 HH21 ARG 66 HH21 ARG 66 21.115 -17.258 -7.907 540 HH22 ARG 66 HH22 ARG 66 21.610 -17.012 -9.547 541 H PHE 67 H PHE 67 19.347 -10.492 -3.723 542 HA PHE 67 HA PHE 67 17.959 -7.898 -3.794 543 HB2 PHE 67 HB2 PHE 67 18.783 -9.412 -1.478 544 HB3 PHE 67 HB3 PHE 67 19.630 -7.870 -1.533 545 HD1 PHE 67 HD1 PHE 67 16.302 -9.454 -1.455 546 HD2 PHE 67 HD2 PHE 67 18.515 -5.838 -1.072 547 HE1 PHE 67 HE1 PHE 67 14.307 -8.332 -0.552 548 HE2 PHE 67 HE2 PHE 67 16.524 -4.711 -0.168 549 HZ PHE 67 HZ PHE 67 14.416 -5.958 0.094 550 H THR 68 H THR 68 19.284 -6.059 -3.965 551 HA THR 68 HA THR 68 22.087 -6.608 -4.693 552 HB THR 68 HB THR 68 20.686 -6.148 -6.699 553 HG1 THR 68 HG1 THR 68 22.128 -4.520 -7.503 554 HG21 THR 68 HG21 THR 68 19.141 -4.556 -5.510 555 HG22 THR 68 HG22 THR 68 19.725 -3.995 -7.077 556 HG23 THR 68 HG23 THR 68 20.428 -3.355 -5.592 557 H TYR 69 H TYR 69 23.515 -4.710 -4.531 558 HA TYR 69 HA TYR 69 22.615 -2.522 -2.857 559 HB2 TYR 69 HB2 TYR 69 24.707 -4.489 -1.909 560 HB3 TYR 69 HB3 TYR 69 24.409 -2.922 -1.164 561 HD1 TYR 69 HD2 TYR 69 23.117 -6.314 -1.660 562 HD2 TYR 69 HD1 TYR 69 22.413 -2.535 0.164 563 HE1 TYR 69 HE2 TYR 69 21.375 -7.326 -0.249 564 HE2 TYR 69 HE1 TYR 69 20.671 -3.536 1.581 565 HH TYR 69 HH TYR 69 19.090 -5.672 1.321 566 H ARG 70 H ARG 70 23.936 -0.720 -2.963 567 HA ARG 70 HA ARG 70 26.400 -0.935 -4.539 568 HB2 ARG 70 HB2 ARG 70 24.199 1.072 -5.064 569 HB3 ARG 70 HB3 ARG 70 25.768 1.045 -5.859 570 HG2 ARG 70 HG2 ARG 70 24.474 -1.513 -6.093 571 HG3 ARG 70 HG3 ARG 70 23.426 -0.221 -6.682 572 HD2 ARG 70 HD2 ARG 70 24.581 -0.316 -8.584 573 HD3 ARG 70 HD3 ARG 70 25.914 0.427 -7.700 574 HE ARG 70 HE ARG 70 25.697 -2.330 -8.536 575 HH11 ARG 70 HH11 ARG 70 27.274 -0.047 -6.434 576 HH12 ARG 70 HH12 ARG 70 28.676 -1.037 -6.196 577 HH21 ARG 70 HH21 ARG 70 27.537 -3.642 -8.231 578 HH22 ARG 70 HH22 ARG 70 28.825 -3.081 -7.219 579 H TYR 71 H TYR 71 27.775 0.994 -4.366 580 HA TYR 71 HA TYR 71 27.401 2.331 -1.768 581 HB2 TYR 71 HB2 TYR 71 29.913 2.567 -1.790 582 HB3 TYR 71 HB3 TYR 71 29.320 0.917 -1.638 583 HD1 TYR 71 HD1 TYR 71 29.449 -0.625 -3.577 584 HD2 TYR 71 HD2 TYR 71 31.206 3.249 -3.676 585 HE1 TYR 71 HE1 TYR 71 30.806 -1.297 -5.516 586 HE2 TYR 71 HE2 TYR 71 32.567 2.588 -5.616 587 HH TYR 71 HH TYR 71 31.953 0.038 -7.510 588 H GLN 72 H GLN 72 26.995 4.429 -1.874 589 HA GLN 72 HA GLN 72 28.220 6.015 -4.018 590 HB2 GLN 72 HB2 GLN 72 25.348 6.353 -3.149 591 HB3 GLN 72 HB3 GLN 72 26.171 7.196 -4.455 592 HG2 GLN 72 HG2 GLN 72 26.509 4.777 -5.393 593 HG3 GLN 72 HG3 GLN 72 25.135 4.409 -4.351 594 HE21 GLN 72 HE21 GLN 72 23.127 5.106 -4.908 595 HE22 GLN 72 HE22 GLN 72 22.767 5.901 -6.399 596 H PHE 73 H PHE 73 29.204 7.780 -3.282 597 HA PHE 73 HA PHE 73 28.770 8.553 -0.495 598 HB2 PHE 73 HB2 PHE 73 30.983 9.118 -2.465 599 HB3 PHE 73 HB3 PHE 73 30.867 9.949 -0.918 600 HD1 PHE 73 HD2 PHE 73 30.940 6.515 -2.355 601 HD2 PHE 73 HD1 PHE 73 31.909 9.045 0.928 602 HE1 PHE 73 HE2 PHE 73 32.123 4.650 -1.271 603 HE2 PHE 73 HE1 PHE 73 33.093 7.184 2.017 604 HZ PHE 73 HZ PHE 73 33.201 4.982 0.918 605 H GLY 74 H GLY 74 28.792 10.885 0.040 606 HA2 GLY 74 HA2 GLY 74 28.456 13.013 -1.627 607 HA3 GLY 74 HA3 GLY 74 26.866 12.268 -1.592 608 H LEU 75 H LEU 75 25.890 14.008 -0.564 609 HA LEU 75 HA LEU 75 26.621 14.314 2.271 610 HB2 LEU 75 HB2 LEU 75 27.280 16.281 0.905 611 HB3 LEU 75 HB3 LEU 75 25.586 16.499 0.471 612 HG LEU 75 HG LEU 75 25.484 16.503 3.206 613 HD11 LEU 75 HD11 LEU 75 27.781 18.304 2.652 614 HD12 LEU 75 HD12 LEU 75 28.105 16.592 2.924 615 HD13 LEU 75 HD13 LEU 75 27.277 17.540 4.160 616 HD21 LEU 75 HD21 LEU 75 25.714 18.726 1.197 617 HD22 LEU 75 HD22 LEU 75 25.378 19.024 2.902 618 HD23 LEU 75 HD23 LEU 75 24.259 18.060 1.937 619 H PHE 76 H PHE 76 24.935 14.535 3.731 620 HA PHE 76 HA PHE 76 22.246 14.033 2.635 621 HB2 PHE 76 HB2 PHE 76 23.352 12.125 3.906 622 HB3 PHE 76 HB3 PHE 76 23.207 13.126 5.347 623 HD1 PHE 76 HD1 PHE 76 21.341 11.289 2.767 624 HD2 PHE 76 HD2 PHE 76 21.115 13.423 6.443 625 HE1 PHE 76 HE1 PHE 76 19.046 10.466 3.101 626 HE2 PHE 76 HE2 PHE 76 18.821 12.603 6.782 627 HZ PHE 76 HZ PHE 76 17.783 11.122 5.111 628 H ASP 77 H ASP 77 21.061 15.813 2.821 629 HA ASP 77 HA ASP 77 21.598 17.807 4.822 630 HB2 ASP 77 HB2 ASP 77 20.425 17.831 2.318 631 HB3 ASP 77 HB3 ASP 77 19.056 18.063 3.402 632 H LYS 78 H LYS 78 19.306 18.760 5.735 633 HA LYS 78 HA LYS 78 18.519 16.814 7.691 634 HB2 LYS 78 HB2 LYS 78 17.173 18.617 8.643 635 HB3 LYS 78 HB3 LYS 78 18.801 19.177 8.287 636 HG2 LYS 78 HG2 LYS 78 18.039 20.317 6.318 637 HG3 LYS 78 HG3 LYS 78 16.420 19.639 6.504 638 HD2 LYS 78 HD2 LYS 78 17.654 21.295 8.677 639 HD3 LYS 78 HD3 LYS 78 16.856 22.058 7.300 640 HE2 LYS 78 HE2 LYS 78 15.458 19.898 8.818 641 HE3 LYS 78 HE3 LYS 78 15.511 21.533 9.475 642 HZ1 LYS 78 HZ1 LYS 78 14.567 20.936 6.731 643 HZ2 LYS 78 HZ2 LYS 78 14.382 22.374 7.602 644 HZ3 LYS 78 HZ3 LYS 78 13.529 20.989 8.066 645 H GLU 79 H GLU 79 17.178 18.111 4.748 646 HA GLU 79 HA GLU 79 14.674 16.647 5.222 647 HB2 GLU 79 HB2 GLU 79 13.592 18.091 3.746 648 HB3 GLU 79 HB3 GLU 79 14.716 19.150 4.586 649 HG2 GLU 79 HG2 GLU 79 15.293 19.838 2.549 650 HG3 GLU 79 HG3 GLU 79 16.209 18.335 2.460 651 H GLY 80 H GLY 80 17.608 16.270 3.752 652 HA2 GLY 80 HA2 GLY 80 18.185 14.303 2.557 653 HA3 GLY 80 HA3 GLY 80 16.523 14.189 1.996 654 H ASN 81 H ASN 81 18.217 17.220 1.861 655 HA ASN 81 HA ASN 81 17.789 17.457 -0.938 656 HB2 ASN 81 HB2 ASN 81 19.402 19.113 1.008 657 HB3 ASN 81 HB3 ASN 81 19.190 19.544 -0.686 658 HD21 ASN 81 HD21 ASN 81 18.294 20.694 1.984 659 HD22 ASN 81 HD22 ASN 81 16.610 21.002 1.753 660 H TRP 82 H TRP 82 19.052 16.928 -2.607 661 HA TRP 82 HA TRP 82 21.453 15.435 -2.152 662 HB2 TRP 82 HB2 TRP 82 20.047 14.751 -3.968 663 HB3 TRP 82 HB3 TRP 82 20.074 16.365 -4.673 664 HD1 TRP 82 HD1 TRP 82 23.303 14.688 -3.483 665 HE1 TRP 82 HE1 TRP 82 24.792 14.228 -5.532 666 HE3 TRP 82 HE3 TRP 82 20.006 15.948 -7.181 667 HZ2 TRP 82 HZ2 TRP 82 24.594 14.379 -8.344 668 HZ3 TRP 82 HZ3 TRP 82 20.734 15.762 -9.524 669 HH2 TRP 82 HH2 TRP 82 22.981 14.995 -10.091 670 H THR 83 H THR 83 23.427 16.232 -1.919 671 HA THR 83 HA THR 83 24.229 18.605 -3.413 672 HB THR 83 HB THR 83 24.503 18.417 -0.406 673 HG1 THR 83 HG1 THR 83 22.915 19.999 -2.144 674 HG21 THR 83 HG21 THR 83 25.234 20.956 -1.153 675 HG22 THR 83 HG22 THR 83 25.943 19.963 -2.428 676 HG23 THR 83 HG23 THR 83 26.348 19.652 -0.740 677 H VAL 84 H VAL 84 26.228 18.398 -4.202 678 HA VAL 84 HA VAL 84 27.844 16.134 -3.286 679 HB VAL 84 HB VAL 84 29.183 16.581 -5.364 680 HG11 VAL 84 HG11 VAL 84 27.872 15.149 -6.496 681 HG12 VAL 84 HG12 VAL 84 26.890 15.167 -5.029 682 HG13 VAL 84 HG13 VAL 84 26.460 16.201 -6.393 683 HG21 VAL 84 HG21 VAL 84 27.694 18.967 -5.364 684 HG22 VAL 84 HG22 VAL 84 28.868 18.425 -6.564 685 HG23 VAL 84 HG23 VAL 84 27.158 18.043 -6.767 686 H VAL 85 H VAL 85 29.402 16.518 -1.867 687 HA VAL 85 HA VAL 85 31.042 18.925 -2.160 688 HB VAL 85 HB VAL 85 31.055 19.042 0.421 689 HG11 VAL 85 HG11 VAL 85 29.105 20.093 -1.519 690 HG12 VAL 85 HG12 VAL 85 28.657 20.253 0.180 691 HG13 VAL 85 HG13 VAL 85 30.171 20.945 -0.404 692 HG21 VAL 85 HG21 VAL 85 29.430 16.863 0.211 693 HG22 VAL 85 HG22 VAL 85 29.537 17.911 1.626 694 HG23 VAL 85 HG23 VAL 85 28.261 18.165 0.435 695 HA PRO 86 HA PRO 86 34.435 16.251 -1.382 696 HB2 PRO 86 HB2 PRO 86 36.156 17.912 -0.099 697 HB3 PRO 86 HB3 PRO 86 35.804 18.042 -1.826 698 HG2 PRO 86 HG2 PRO 86 34.691 19.626 0.457 699 HG3 PRO 86 HG3 PRO 86 35.234 20.188 -1.134 700 HD2 PRO 86 HD2 PRO 86 32.619 19.825 -0.531 701 HD3 PRO 86 HD3 PRO 86 33.267 19.567 -2.164 702 H ILE 87 H ILE 87 35.557 15.076 0.231 703 HA ILE 87 HA ILE 87 34.189 15.072 2.816 704 HB ILE 87 HB ILE 87 36.075 13.035 1.626 705 HG12 ILE 87 HG12 ILE 87 33.922 13.192 0.437 706 HG13 ILE 87 HG13 ILE 87 34.071 11.668 1.306 707 HG21 ILE 87 HG21 ILE 87 36.309 12.597 3.850 708 HG22 ILE 87 HG22 ILE 87 34.733 13.271 4.262 709 HG23 ILE 87 HG23 ILE 87 34.843 11.670 3.532 710 HD11 ILE 87 HD11 ILE 87 32.829 13.536 3.032 711 HD12 ILE 87 HD12 ILE 87 32.018 13.605 1.467 712 HD13 ILE 87 HD13 ILE 87 32.156 12.069 2.323 713 H ASN 88 H ASN 88 35.259 15.219 4.775 714 HA ASN 88 HA ASN 88 37.454 16.930 4.936 715 HB2 ASN 88 HB2 ASN 88 36.025 15.159 6.867 716 HB3 ASN 88 HB3 ASN 88 37.576 15.837 7.353 717 HD21 ASN 88 HD21 ASN 88 36.628 17.094 8.948 718 HD22 ASN 88 HD22 ASN 88 35.699 18.504 8.578 719 H GLU 89 H GLU 89 39.376 16.108 6.525 720 HA GLU 89 HA GLU 89 41.176 14.752 4.942 721 HB2 GLU 89 HB2 GLU 89 41.028 15.311 7.871 722 HB3 GLU 89 HB3 GLU 89 42.271 14.214 7.287 723 HG2 GLU 89 HG2 GLU 89 43.317 16.287 7.335 724 HG3 GLU 89 HG3 GLU 89 42.884 16.064 5.641 725 H THR 90 H THR 90 42.302 12.650 5.561 726 HA THR 90 HA THR 90 40.635 10.495 5.105 727 HB THR 90 HB THR 90 42.945 10.185 4.686 728 HG1 THR 90 HG1 THR 90 42.096 8.253 5.366 729 HG21 THR 90 HG21 THR 90 44.602 10.151 6.595 730 HG22 THR 90 HG22 THR 90 43.348 10.893 7.587 731 HG23 THR 90 HG23 THR 90 43.965 11.738 6.168 732 H GLU 91 H GLU 91 41.435 12.055 8.106 733 HA GLU 91 HA GLU 91 40.875 10.078 9.959 734 HB2 GLU 91 HB2 GLU 91 40.194 11.962 11.472 735 HB3 GLU 91 HB3 GLU 91 41.761 12.167 10.704 736 HG2 GLU 91 HG2 GLU 91 40.718 13.641 9.030 737 HG3 GLU 91 HG3 GLU 91 39.182 13.479 9.879 738 H VAL 92 H VAL 92 38.645 12.227 8.250 739 HA VAL 92 HA VAL 92 36.326 11.184 9.599 740 HB VAL 92 HB VAL 92 36.548 12.950 7.157 741 HG11 VAL 92 HG11 VAL 92 34.074 13.368 8.306 742 HG12 VAL 92 HG12 VAL 92 34.397 12.447 6.835 743 HG13 VAL 92 HG13 VAL 92 34.276 11.618 8.387 744 HG21 VAL 92 HG21 VAL 92 36.192 13.509 10.086 745 HG22 VAL 92 HG22 VAL 92 37.399 14.162 8.978 746 HG23 VAL 92 HG23 VAL 92 35.716 14.673 8.849 747 H VAL 93 H VAL 93 37.661 10.944 6.309 748 HA VAL 93 HA VAL 93 35.746 9.350 5.134 749 HB VAL 93 HB VAL 93 38.164 10.303 4.333 750 HG11 VAL 93 HG11 VAL 93 39.599 8.477 3.714 751 HG12 VAL 93 HG12 VAL 93 39.304 8.401 5.452 752 HG13 VAL 93 HG13 VAL 93 38.455 7.303 4.363 753 HG21 VAL 93 HG21 VAL 93 37.628 9.444 2.196 754 HG22 VAL 93 HG22 VAL 93 36.751 8.076 2.882 755 HG23 VAL 93 HG23 VAL 93 36.087 9.705 3.014 756 H GLU 94 H GLU 94 38.285 8.448 7.375 757 HA GLU 94 HA GLU 94 38.184 5.660 7.015 758 HB2 GLU 94 HB2 GLU 94 39.098 7.458 9.226 759 HB3 GLU 94 HB3 GLU 94 38.993 5.726 9.511 760 HG2 GLU 94 HG2 GLU 94 40.356 5.700 7.213 761 HG3 GLU 94 HG3 GLU 94 40.873 7.264 7.838 762 H ARG 95 H ARG 95 36.285 7.856 8.998 763 HA ARG 95 HA ARG 95 34.971 5.910 10.559 764 HB2 ARG 95 HB2 ARG 95 34.925 8.199 11.266 765 HB3 ARG 95 HB3 ARG 95 34.182 8.709 9.756 766 HG2 ARG 95 HG2 ARG 95 32.527 8.715 11.488 767 HG3 ARG 95 HG3 ARG 95 32.165 7.411 10.356 768 HD2 ARG 95 HD2 ARG 95 31.883 6.353 12.383 769 HD3 ARG 95 HD3 ARG 95 33.561 5.963 12.012 770 HE ARG 95 HE ARG 95 33.510 8.332 13.500 771 HH11 ARG 95 HH11 ARG 95 32.825 4.940 13.881 772 HH12 ARG 95 HH12 ARG 95 33.198 4.921 15.573 773 HH21 ARG 95 HH21 ARG 95 34.003 8.320 15.727 774 HH22 ARG 95 HH22 ARG 95 33.867 6.845 16.622 775 H LEU 96 H LEU 96 34.141 7.438 7.474 776 HA LEU 96 HA LEU 96 31.597 6.266 7.185 777 HB2 LEU 96 HB2 LEU 96 33.523 7.151 5.042 778 HB3 LEU 96 HB3 LEU 96 31.801 6.847 4.821 779 HG LEU 96 HG LEU 96 33.071 9.077 6.403 780 HD11 LEU 96 HD11 LEU 96 32.669 8.961 3.747 781 HD12 LEU 96 HD12 LEU 96 32.574 10.449 4.688 782 HD13 LEU 96 HD13 LEU 96 31.101 9.576 4.271 783 HD21 LEU 96 HD21 LEU 96 31.194 8.539 7.676 784 HD22 LEU 96 HD22 LEU 96 30.236 8.111 6.259 785 HD23 LEU 96 HD23 LEU 96 30.613 9.802 6.590 786 H GLU 97 H GLU 97 34.827 5.155 6.369 787 HA GLU 97 HA GLU 97 34.102 2.973 4.747 788 HB2 GLU 97 HB2 GLU 97 36.526 3.520 6.452 789 HB3 GLU 97 HB3 GLU 97 36.372 2.061 5.484 790 HG2 GLU 97 HG2 GLU 97 36.166 3.416 3.465 791 HG3 GLU 97 HG3 GLU 97 36.319 4.881 4.434 792 H TYR 98 H TYR 98 34.625 3.237 8.240 793 HA TYR 98 HA TYR 98 34.203 0.471 8.766 794 HB2 TYR 98 HB2 TYR 98 35.467 1.769 10.346 795 HB3 TYR 98 HB3 TYR 98 34.136 2.901 10.561 796 HD1 TYR 98 HD2 TYR 98 32.138 2.239 11.839 797 HD2 TYR 98 HD1 TYR 98 35.509 -0.335 11.500 798 HE1 TYR 98 HE2 TYR 98 31.302 0.904 13.729 799 HE2 TYR 98 HE1 TYR 98 34.682 -1.677 13.388 800 HH TYR 98 HH TYR 98 33.154 -1.840 15.001 801 H THR 99 H THR 99 32.138 3.314 8.705 802 HA THR 99 HA THR 99 29.862 2.120 9.894 803 HB THR 99 HB THR 99 28.593 4.002 8.966 804 HG1 THR 99 HG1 THR 99 29.495 4.311 6.963 805 HG21 THR 99 HG21 THR 99 30.688 5.715 9.702 806 HG22 THR 99 HG22 THR 99 30.947 4.225 10.608 807 HG23 THR 99 HG23 THR 99 29.410 5.080 10.737 808 H LEU 100 H LEU 100 30.814 2.608 6.505 809 HA LEU 100 HA LEU 100 28.485 1.350 5.442 810 HB2 LEU 100 HB2 LEU 100 29.417 1.697 3.344 811 HB3 LEU 100 HB3 LEU 100 30.050 3.029 4.309 812 HG LEU 100 HG LEU 100 32.084 1.349 4.610 813 HD11 LEU 100 HD11 LEU 100 30.509 0.248 2.396 814 HD12 LEU 100 HD12 LEU 100 31.738 -0.511 3.407 815 HD13 LEU 100 HD13 LEU 100 32.218 0.493 2.039 816 HD21 LEU 100 HD21 LEU 100 32.068 3.652 3.636 817 HD22 LEU 100 HD22 LEU 100 31.707 2.926 2.070 818 HD23 LEU 100 HD23 LEU 100 33.223 2.547 2.889 819 H ARG 101 H ARG 101 31.722 0.276 6.281 820 HA ARG 101 HA ARG 101 31.567 -2.267 5.038 821 HB2 ARG 101 HB2 ARG 101 33.691 -1.183 5.724 822 HB3 ARG 101 HB3 ARG 101 33.246 -1.428 7.407 823 HG2 ARG 101 HG2 ARG 101 33.241 -3.826 5.686 824 HG3 ARG 101 HG3 ARG 101 34.813 -3.105 6.041 825 HD2 ARG 101 HD2 ARG 101 32.760 -3.881 8.109 826 HD3 ARG 101 HD3 ARG 101 34.154 -4.860 7.657 827 HE ARG 101 HE ARG 101 34.139 -2.574 9.377 828 HH11 ARG 101 HH11 ARG 101 36.070 -4.422 7.146 829 HH12 ARG 101 HH12 ARG 101 37.579 -3.930 7.841 830 HH21 ARG 101 HH21 ARG 101 36.119 -1.919 10.301 831 HH22 ARG 101 HH22 ARG 101 37.605 -2.507 9.636 832 H GLU 102 H GLU 102 30.886 -1.133 8.325 833 HA GLU 102 HA GLU 102 30.237 -3.723 9.332 834 HB2 GLU 102 HB2 GLU 102 29.979 -0.921 10.337 835 HB3 GLU 102 HB3 GLU 102 29.076 -2.196 11.144 836 HG2 GLU 102 HG2 GLU 102 32.059 -2.044 10.787 837 HG3 GLU 102 HG3 GLU 102 31.155 -1.835 12.286 838 H PHE 103 H PHE 103 28.477 -1.201 7.713 839 HA PHE 103 HA PHE 103 25.862 -1.832 8.440 840 HB2 PHE 103 HB2 PHE 103 26.723 0.143 7.040 841 HB3 PHE 103 HB3 PHE 103 26.627 -0.950 5.663 842 HD1 PHE 103 HD2 PHE 103 24.450 -1.819 4.921 843 HD2 PHE 103 HD1 PHE 103 24.770 1.087 8.015 844 HE1 PHE 103 HE2 PHE 103 22.062 -1.285 4.662 845 HE2 PHE 103 HE1 PHE 103 22.383 1.625 7.761 846 HZ PHE 103 HZ PHE 103 21.025 0.439 6.084 847 H HIS 104 H HIS 104 27.914 -3.186 5.899 848 HA HIS 104 HA HIS 104 25.906 -4.879 4.804 849 HB2 HIS 104 HB2 HIS 104 27.788 -4.279 3.434 850 HB3 HIS 104 HB3 HIS 104 28.921 -4.938 4.610 851 HD1 HIS 104 HD1 HIS 104 28.867 -7.609 4.873 852 HD2 HIS 104 HD2 HIS 104 26.922 -6.054 1.546 853 HE1 HIS 104 HE1 HIS 104 28.567 -9.549 3.301 854 H GLU 105 H GLU 105 28.264 -5.214 7.368 855 HA GLU 105 HA GLU 105 28.252 -7.992 7.662 856 HB2 GLU 105 HB2 GLU 105 29.438 -5.868 8.966 857 HB3 GLU 105 HB3 GLU 105 28.369 -6.532 10.193 858 HG2 GLU 105 HG2 GLU 105 29.454 -8.586 10.208 859 HG3 GLU 105 HG3 GLU 105 30.207 -8.307 8.638 860 H LYS 106 H LYS 106 26.206 -5.535 9.216 861 HA LYS 106 HA LYS 106 24.627 -7.457 10.623 862 HB2 LYS 106 HB2 LYS 106 23.461 -5.654 11.499 863 HB3 LYS 106 HB3 LYS 106 25.030 -4.939 11.150 864 HG2 LYS 106 HG2 LYS 106 23.917 -4.328 8.868 865 HG3 LYS 106 HG3 LYS 106 22.418 -4.546 9.773 866 HD2 LYS 106 HD2 LYS 106 24.684 -2.710 10.553 867 HD3 LYS 106 HD3 LYS 106 23.177 -2.206 9.784 868 HE2 LYS 106 HE2 LYS 106 21.905 -2.952 11.694 869 HE3 LYS 106 HE3 LYS 106 23.355 -3.618 12.443 870 HZ1 LYS 106 HZ1 LYS 106 22.617 -0.785 12.060 871 HZ2 LYS 106 HZ2 LYS 106 24.227 -1.238 12.315 872 HZ3 LYS 106 HZ3 LYS 106 23.056 -1.581 13.487 873 H LEU 107 H LEU 107 24.407 -5.836 7.532 874 HA LEU 107 HA LEU 107 21.708 -6.341 6.957 875 HB2 LEU 107 HB2 LEU 107 23.727 -5.040 5.705 876 HB3 LEU 107 HB3 LEU 107 23.592 -6.482 4.701 877 HG LEU 107 HG LEU 107 22.279 -4.780 3.689 878 HD11 LEU 107 HD11 LEU 107 20.522 -6.712 5.193 879 HD12 LEU 107 HD12 LEU 107 21.262 -6.960 3.612 880 HD13 LEU 107 HD13 LEU 107 20.004 -5.741 3.814 881 HD21 LEU 107 HD21 LEU 107 21.320 -3.142 4.837 882 HD22 LEU 107 HD22 LEU 107 21.880 -3.899 6.328 883 HD23 LEU 107 HD23 LEU 107 20.284 -4.290 5.686 884 H ARG 108 H ARG 108 24.589 -8.322 6.605 885 HA ARG 108 HA ARG 108 23.624 -10.339 4.966 886 HB2 ARG 108 HB2 ARG 108 25.909 -9.906 6.542 887 HB3 ARG 108 HB3 ARG 108 25.248 -11.443 7.083 888 HG2 ARG 108 HG2 ARG 108 25.373 -11.117 4.171 889 HG3 ARG 108 HG3 ARG 108 26.936 -11.141 4.990 890 HD2 ARG 108 HD2 ARG 108 26.051 -13.224 6.195 891 HD3 ARG 108 HD3 ARG 108 24.799 -13.248 4.953 892 HE ARG 108 HE ARG 108 27.056 -13.109 3.498 893 HH11 ARG 108 HH11 ARG 108 26.076 -15.174 6.123 894 HH12 ARG 108 HH12 ARG 108 27.015 -16.526 5.583 895 HH21 ARG 108 HH21 ARG 108 28.297 -14.882 2.776 896 HH22 ARG 108 HH22 ARG 108 28.278 -16.358 3.679 897 H ASP 109 H ASP 109 23.471 -10.116 8.513 898 HA ASP 109 HA ASP 109 22.177 -12.530 9.006 899 HB2 ASP 109 HB2 ASP 109 23.176 -10.794 10.656 900 HB3 ASP 109 HB3 ASP 109 21.575 -10.061 10.609 901 H LEU 110 H LEU 110 20.791 -9.322 8.376 902 HA LEU 110 HA LEU 110 18.100 -9.998 8.679 903 HB2 LEU 110 HB2 LEU 110 18.757 -7.707 8.556 904 HB3 LEU 110 HB3 LEU 110 19.442 -7.933 6.948 905 HG LEU 110 HG LEU 110 16.943 -8.548 6.351 906 HD11 LEU 110 HD11 LEU 110 16.763 -7.507 9.038 907 HD12 LEU 110 HD12 LEU 110 15.523 -8.260 8.034 908 HD13 LEU 110 HD13 LEU 110 15.834 -6.529 7.902 909 HD21 LEU 110 HD21 LEU 110 18.598 -6.360 6.001 910 HD22 LEU 110 HD22 LEU 110 17.104 -5.666 6.630 911 HD23 LEU 110 HD23 LEU 110 17.071 -6.662 5.174 912 H LEU 111 H LEU 111 20.071 -9.905 5.713 913 HA LEU 111 HA LEU 111 18.068 -10.815 3.971 914 HB2 LEU 111 HB2 LEU 111 20.925 -10.343 3.884 915 HB3 LEU 111 HB3 LEU 111 20.465 -11.750 2.927 916 HG LEU 111 HG LEU 111 19.092 -10.452 1.505 917 HD11 LEU 111 HD11 LEU 111 17.935 -9.061 3.038 918 HD12 LEU 111 HD12 LEU 111 18.784 -7.993 1.922 919 HD13 LEU 111 HD13 LEU 111 19.424 -8.262 3.543 920 HD21 LEU 111 HD21 LEU 111 20.963 -8.337 1.439 921 HD22 LEU 111 HD22 LEU 111 20.910 -9.781 0.427 922 HD23 LEU 111 HD23 LEU 111 21.833 -9.791 1.930 923 H ILE 112 H ILE 112 20.265 -12.512 6.094 924 HA ILE 112 HA ILE 112 19.935 -15.097 4.981 925 HB ILE 112 HB ILE 112 20.788 -14.182 7.722 926 HG12 ILE 112 HG12 ILE 112 22.508 -15.680 5.797 927 HG13 ILE 112 HG13 ILE 112 22.171 -13.985 5.466 928 HG21 ILE 112 HG21 ILE 112 21.537 -16.551 8.051 929 HG22 ILE 112 HG22 ILE 112 19.790 -16.314 8.075 930 HG23 ILE 112 HG23 ILE 112 20.569 -16.984 6.642 931 HD11 ILE 112 HD11 ILE 112 24.102 -15.084 7.198 932 HD12 ILE 112 HD12 ILE 112 23.740 -13.385 6.896 933 HD13 ILE 112 HD13 ILE 112 22.916 -14.244 8.196 934 H SER 113 H SER 113 18.077 -13.198 7.240 935 HA SER 113 HA SER 113 16.508 -15.365 8.245 936 HB2 SER 113 HB2 SER 113 16.683 -13.419 9.622 937 HB3 SER 113 HB3 SER 113 16.142 -12.366 8.314 938 HG SER 113 HG SER 113 14.118 -12.946 8.657 939 H MET 114 H MET 114 16.383 -13.339 5.447 940 HA MET 114 HA MET 114 13.672 -14.282 4.818 941 HB2 MET 114 HB2 MET 114 13.858 -12.528 2.964 942 HB3 MET 114 HB3 MET 114 13.723 -11.941 4.616 943 HG2 MET 114 HG2 MET 114 16.013 -11.384 4.709 944 HG3 MET 114 HG3 MET 114 16.362 -12.271 3.227 945 HE1 MET 114 HE1 MET 114 14.095 -9.689 4.731 946 HE2 MET 114 HE2 MET 114 15.407 -8.530 4.516 947 HE3 MET 114 HE3 MET 114 13.948 -8.403 3.533 948 H GLU 115 H GLU 115 16.795 -15.144 4.302 949 HA GLU 115 HA GLU 115 17.824 -16.566 2.855 950 HB2 GLU 115 HB2 GLU 115 15.088 -17.044 1.671 951 HB3 GLU 115 HB3 GLU 115 16.488 -18.102 1.574 952 HG2 GLU 115 HG2 GLU 115 16.375 -18.334 4.062 953 HG3 GLU 115 HG3 GLU 115 14.843 -17.464 4.006 954 H LEU 116 H LEU 116 17.650 -13.803 2.206 955 HA LEU 116 HA LEU 116 17.377 -13.807 -0.715 956 HB2 LEU 116 HB2 LEU 116 17.209 -11.732 1.395 957 HB3 LEU 116 HB3 LEU 116 17.843 -11.239 -0.173 958 HG LEU 116 HG LEU 116 15.458 -10.761 0.026 959 HD11 LEU 116 HD11 LEU 116 15.260 -12.927 -1.901 960 HD12 LEU 116 HD12 LEU 116 16.738 -11.983 -2.083 961 HD13 LEU 116 HD13 LEU 116 15.168 -11.182 -2.142 962 HD21 LEU 116 HD21 LEU 116 15.228 -12.967 1.503 963 HD22 LEU 116 HD22 LEU 116 14.738 -13.633 -0.055 964 HD23 LEU 116 HD23 LEU 116 13.867 -12.261 0.631 965 H ALA 117 H ALA 117 19.168 -14.177 -1.828 966 HA ALA 117 HA ALA 117 21.759 -14.203 -0.776 967 HB1 ALA 117 HB1 ALA 117 20.517 -14.649 -3.333 968 HB2 ALA 117 HB2 ALA 117 22.036 -13.772 -3.523 969 HB3 ALA 117 HB3 ALA 117 22.012 -15.320 -2.679 970 H LEU 118 H LEU 118 23.559 -12.821 -1.177 971 HA LEU 118 HA LEU 118 22.859 -10.049 -1.870 972 HB2 LEU 118 HB2 LEU 118 23.131 -10.567 0.634 973 HB3 LEU 118 HB3 LEU 118 24.849 -10.717 0.272 974 HG LEU 118 HG LEU 118 23.302 -8.225 -0.385 975 HD11 LEU 118 HD11 LEU 118 23.950 -9.247 2.225 976 HD12 LEU 118 HD12 LEU 118 23.070 -7.786 1.777 977 HD13 LEU 118 HD13 LEU 118 24.829 -7.752 1.904 978 HD21 LEU 118 HD21 LEU 118 25.619 -7.260 -0.102 979 HD22 LEU 118 HD22 LEU 118 25.387 -8.316 -1.496 980 HD23 LEU 118 HD23 LEU 118 26.211 -8.921 -0.058 981 H GLU 119 H GLU 119 23.948 -9.527 -3.641 982 HA GLU 119 HA GLU 119 26.812 -9.879 -3.744 983 HB2 GLU 119 HB2 GLU 119 24.951 -11.483 -5.428 984 HB3 GLU 119 HB3 GLU 119 26.415 -10.868 -6.182 985 HG2 GLU 119 HG2 GLU 119 27.571 -11.905 -4.078 986 HG3 GLU 119 HG3 GLU 119 26.101 -12.874 -4.009 987 HA PRO 120 HA PRO 120 26.659 -6.174 -6.086 988 HB2 PRO 120 HB2 PRO 120 28.748 -6.476 -7.794 989 HB3 PRO 120 HB3 PRO 120 28.957 -6.178 -6.064 990 HG2 PRO 120 HG2 PRO 120 29.097 -8.761 -7.571 991 HG3 PRO 120 HG3 PRO 120 30.154 -8.159 -6.281 992 HD2 PRO 120 HD2 PRO 120 28.190 -9.967 -5.830 993 HD3 PRO 120 HD3 PRO 120 28.680 -8.768 -4.617 994 H SER 121 H SER 121 26.589 -5.282 -8.350 995 HA SER 121 HA SER 121 24.740 -6.859 -9.910 996 HB2 SER 121 HB2 SER 121 25.742 -4.034 -10.024 997 HB3 SER 121 HB3 SER 121 24.906 -4.722 -11.415 998 HG SER 121 HG SER 121 23.327 -3.839 -10.191 999 H ASP 122 H ASP 122 25.212 -8.055 -11.630 1000 HA ASP 122 HA ASP 122 27.879 -8.495 -12.453 1001 HB2 ASP 122 HB2 ASP 122 25.196 -9.444 -13.287 1002 HB3 ASP 122 HB3 ASP 122 26.481 -9.579 -14.485 1003 H ASP 123 H ASP 123 25.655 -6.079 -13.264 1004 HA ASP 123 HA ASP 123 27.112 -5.453 -15.746 1005 HB2 ASP 123 HB2 ASP 123 24.538 -5.824 -15.730 1006 HB3 ASP 123 HB3 ASP 123 24.475 -4.220 -15.005 1007 H PHE 124 H PHE 124 27.887 -4.837 -12.944 1008 HA PHE 124 HA PHE 124 28.228 -1.947 -13.312 1009 HB2 PHE 124 HB2 PHE 124 26.386 -2.538 -11.620 1010 HB3 PHE 124 HB3 PHE 124 27.690 -3.113 -10.587 1011 HD1 PHE 124 HD1 PHE 124 29.378 -1.537 -9.731 1012 HD2 PHE 124 HD2 PHE 124 25.982 -0.218 -11.932 1013 HE1 PHE 124 HE1 PHE 124 29.743 0.755 -8.914 1014 HE2 PHE 124 HE2 PHE 124 26.342 2.076 -11.119 1015 HZ PHE 124 HZ PHE 124 28.223 2.565 -9.607 1016 H ASN 125 H ASN 125 30.188 -1.133 -12.654 1017 HA ASN 125 HA ASN 125 32.015 -2.376 -10.945 1018 HB2 ASN 125 HB2 ASN 125 33.697 -3.040 -12.791 1019 HB3 ASN 125 HB3 ASN 125 32.374 -4.147 -12.438 1020 HD21 ASN 125 HD21 ASN 125 33.736 -1.943 -14.725 1021 HD22 ASN 125 HD22 ASN 125 32.697 -2.343 -16.047 1022 H ASP 126 H ASP 126 32.987 -0.612 -10.214 1023 HA ASP 126 HA ASP 126 34.053 1.315 -12.164 1024 HB2 ASP 126 HB2 ASP 126 32.085 2.357 -11.252 1025 HB3 ASP 126 HB3 ASP 126 32.564 1.938 -9.609 1026 H GLU 127 H GLU 127 34.108 1.136 -8.614 1027 HA GLU 127 HA GLU 127 36.724 0.135 -8.380 1028 HB2 GLU 127 HB2 GLU 127 36.997 2.530 -9.418 1029 HB3 GLU 127 HB3 GLU 127 36.701 3.065 -7.769 1030 HG2 GLU 127 HG2 GLU 127 38.592 1.696 -7.005 1031 HG3 GLU 127 HG3 GLU 127 38.904 1.225 -8.675 1032 HA PRO 128 HA PRO 128 34.095 0.314 -4.561 1033 HB2 PRO 128 HB2 PRO 128 34.340 -2.329 -3.991 1034 HB3 PRO 128 HB3 PRO 128 33.097 -1.691 -5.074 1035 HG2 PRO 128 HG2 PRO 128 35.718 -2.973 -5.745 1036 HG3 PRO 128 HG3 PRO 128 34.129 -3.216 -6.495 1037 HD2 PRO 128 HD2 PRO 128 36.035 -1.640 -7.598 1038 HD3 PRO 128 HD3 PRO 128 34.301 -1.305 -7.772 1039 H VAL 129 H VAL 129 34.913 0.638 -2.567 1040 HA VAL 129 HA VAL 129 37.638 0.840 -2.090 1041 HB VAL 129 HB VAL 129 37.103 1.051 0.276 1042 HG11 VAL 129 HG11 VAL 129 36.676 2.976 -1.110 1043 HG12 VAL 129 HG12 VAL 129 35.079 2.359 -1.538 1044 HG13 VAL 129 HG13 VAL 129 35.418 2.858 0.119 1045 HG21 VAL 129 HG21 VAL 129 35.521 -0.275 1.114 1046 HG22 VAL 129 HG22 VAL 129 34.340 0.847 0.437 1047 HG23 VAL 129 HG23 VAL 129 34.830 -0.578 -0.480 1048 H LYS 130 H LYS 130 39.196 -0.496 -1.361 1049 HA LYS 130 HA LYS 130 38.506 -3.327 -1.096 1050 HB2 LYS 130 HB2 LYS 130 41.157 -1.924 -1.471 1051 HB3 LYS 130 HB3 LYS 130 40.988 -3.662 -1.260 1052 HG2 LYS 130 HG2 LYS 130 39.373 -2.426 -3.402 1053 HG3 LYS 130 HG3 LYS 130 41.119 -2.489 -3.650 1054 HD2 LYS 130 HD2 LYS 130 40.956 -4.952 -3.020 1055 HD3 LYS 130 HD3 LYS 130 39.210 -4.770 -3.207 1056 HE2 LYS 130 HE2 LYS 130 40.156 -5.621 -5.257 1057 HE3 LYS 130 HE3 LYS 130 39.574 -3.977 -5.517 1058 HZ1 LYS 130 HZ1 LYS 130 42.049 -4.904 -6.145 1059 HZ2 LYS 130 HZ2 LYS 130 42.319 -4.074 -4.696 1060 HZ3 LYS 130 HZ3 LYS 130 41.614 -3.275 -6.010 1061 H LEU 131 H LEU 131 37.797 -3.617 0.969 1062 HA LEU 131 HA LEU 131 38.859 -2.378 3.257 1063 HB2 LEU 131 HB2 LEU 131 37.190 -4.815 2.789 1064 HB3 LEU 131 HB3 LEU 131 37.792 -4.451 4.405 1065 HG LEU 131 HG LEU 131 35.516 -3.671 4.163 1066 HD11 LEU 131 HD11 LEU 131 35.805 -1.397 4.873 1067 HD12 LEU 131 HD12 LEU 131 37.399 -1.318 4.124 1068 HD13 LEU 131 HD13 LEU 131 37.131 -2.363 5.519 1069 HD21 LEU 131 HD21 LEU 131 36.527 -1.935 1.913 1070 HD22 LEU 131 HD22 LEU 131 34.882 -1.993 2.547 1071 HD23 LEU 131 HD23 LEU 131 35.554 -3.392 1.708 1072 H SER 132 H SER 132 39.867 -5.153 1.437 1073 HA SER 132 HA SER 132 41.598 -6.165 3.522 1074 HB2 SER 132 HB2 SER 132 40.465 -7.659 1.857 1075 HB3 SER 132 HB3 SER 132 41.497 -6.968 0.605 1076 HG SER 132 HG SER 132 42.516 -8.789 1.307 1077 H ALA 133 H ALA 133 42.429 -3.732 3.407 1078 HA ALA 133 HA ALA 133 44.985 -3.879 1.982 1079 HB1 ALA 133 HB1 ALA 133 43.133 -1.501 1.903 1080 HB2 ALA 133 HB2 ALA 133 44.796 -1.511 1.315 1081 HB3 ALA 133 HB3 ALA 133 43.583 -2.535 0.547 Start of MODEL 7 1 H MET 1 H MET 1 -0.240 -0.037 -1.156 2 HA MET 1 HA MET 1 2.059 0.290 -0.386 3 HB2 MET 1 HB2 MET 1 1.806 -0.328 1.978 4 HB3 MET 1 HB3 MET 1 0.345 0.418 1.345 5 HG2 MET 1 HG2 MET 1 0.536 -2.540 1.281 6 HG3 MET 1 HG3 MET 1 0.281 -1.756 2.838 7 HE1 MET 1 HE1 MET 1 -2.978 -0.939 3.253 8 HE2 MET 1 HE2 MET 1 -1.328 -0.355 3.472 9 HE3 MET 1 HE3 MET 1 -2.432 0.503 2.396 10 H THR 2 H THR 2 2.344 -1.810 -2.191 11 HA THR 2 HA THR 2 4.212 -3.527 -0.715 12 HB THR 2 HB THR 2 3.553 -5.491 -2.005 13 HG1 THR 2 HG1 THR 2 1.558 -5.310 -3.251 14 HG21 THR 2 HG21 THR 2 2.008 -6.024 -0.477 15 HG22 THR 2 HG22 THR 2 0.882 -4.810 -1.087 16 HG23 THR 2 HG23 THR 2 2.124 -4.355 0.079 17 H LEU 3 H LEU 3 5.856 -4.519 -2.089 18 HA LEU 3 HA LEU 3 6.862 -2.650 -4.007 19 HB2 LEU 3 HB2 LEU 3 7.982 -5.396 -3.652 20 HB3 LEU 3 HB3 LEU 3 8.821 -3.883 -3.991 21 HG LEU 3 HG LEU 3 7.643 -4.729 -1.345 22 HD11 LEU 3 HD11 LEU 3 9.591 -5.867 -1.314 23 HD12 LEU 3 HD12 LEU 3 10.250 -4.288 -0.888 24 HD13 LEU 3 HD13 LEU 3 10.330 -4.856 -2.556 25 HD21 LEU 3 HD21 LEU 3 9.025 -2.185 -2.183 26 HD22 LEU 3 HD22 LEU 3 8.766 -2.666 -0.506 27 HD23 LEU 3 HD23 LEU 3 7.384 -2.360 -1.559 28 HA PRO 4 HA PRO 4 5.325 -4.330 -7.760 29 HB2 PRO 4 HB2 PRO 4 7.397 -3.841 -9.445 30 HB3 PRO 4 HB3 PRO 4 6.341 -2.566 -8.827 31 HG2 PRO 4 HG2 PRO 4 9.060 -3.394 -7.887 32 HG3 PRO 4 HG3 PRO 4 8.404 -1.762 -8.117 33 HD2 PRO 4 HD2 PRO 4 8.570 -2.936 -5.682 34 HD3 PRO 4 HD3 PRO 4 7.277 -1.796 -6.106 35 H SER 5 H SER 5 8.224 -5.554 -6.349 36 HA SER 5 HA SER 5 8.639 -7.666 -8.251 37 HB2 SER 5 HB2 SER 5 10.650 -7.427 -7.252 38 HB3 SER 5 HB3 SER 5 9.945 -6.684 -5.816 39 HG SER 5 HG SER 5 10.748 -8.609 -5.144 40 H GLY 6 H GLY 6 6.551 -7.167 -5.612 41 HA2 GLY 6 HA2 GLY 6 4.706 -8.721 -5.346 42 HA3 GLY 6 HA3 GLY 6 5.838 -10.030 -5.652 43 H HIS 7 H HIS 7 7.709 -8.277 -3.837 44 HA HIS 7 HA HIS 7 7.105 -9.758 -1.440 45 HB2 HIS 7 HB2 HIS 7 9.395 -8.430 -2.562 46 HB3 HIS 7 HB3 HIS 7 9.141 -7.872 -0.911 47 HD1 HIS 7 HD1 HIS 7 8.745 -11.361 -2.377 48 HD2 HIS 7 HD2 HIS 7 10.875 -9.337 0.560 49 HE1 HIS 7 HE1 HIS 7 10.059 -13.128 -1.163 50 HA PRO 8 HA PRO 8 4.839 -6.712 0.764 51 HB2 PRO 8 HB2 PRO 8 5.627 -7.228 3.310 52 HB3 PRO 8 HB3 PRO 8 4.548 -8.295 2.404 53 HG2 PRO 8 HG2 PRO 8 7.494 -8.538 2.876 54 HG3 PRO 8 HG3 PRO 8 6.243 -9.794 2.939 55 HD2 PRO 8 HD2 PRO 8 7.873 -9.468 0.802 56 HD3 PRO 8 HD3 PRO 8 6.201 -10.044 0.648 57 H LYS 9 H LYS 9 5.203 -4.595 0.843 58 HA LYS 9 HA LYS 9 7.810 -3.482 1.063 59 HB2 LYS 9 HB2 LYS 9 5.894 -2.470 -0.209 60 HB3 LYS 9 HB3 LYS 9 5.167 -2.043 1.334 61 HG2 LYS 9 HG2 LYS 9 6.977 -0.573 1.858 62 HG3 LYS 9 HG3 LYS 9 7.889 -1.116 0.448 63 HD2 LYS 9 HD2 LYS 9 6.974 0.903 -0.257 64 HD3 LYS 9 HD3 LYS 9 5.851 -0.294 -0.907 65 HE2 LYS 9 HE2 LYS 9 4.195 0.251 0.587 66 HE3 LYS 9 HE3 LYS 9 5.333 0.838 1.799 67 HZ1 LYS 9 HZ1 LYS 9 4.935 2.878 1.084 68 HZ2 LYS 9 HZ2 LYS 9 3.928 2.306 -0.149 69 HZ3 LYS 9 HZ3 LYS 9 5.587 2.482 -0.426 70 H SER 10 H SER 10 4.987 -3.441 3.233 71 HA SER 10 HA SER 10 6.091 -1.979 5.315 72 HB2 SER 10 HB2 SER 10 4.292 -4.295 5.926 73 HB3 SER 10 HB3 SER 10 4.279 -2.663 6.594 74 HG SER 10 HG SER 10 3.322 -1.917 4.754 75 H ARG 11 H ARG 11 6.266 -5.455 4.676 76 HA ARG 11 HA ARG 11 7.574 -6.200 7.046 77 HB2 ARG 11 HB2 ARG 11 6.511 -7.605 5.058 78 HB3 ARG 11 HB3 ARG 11 8.181 -7.639 4.507 79 HG2 ARG 11 HG2 ARG 11 7.995 -9.580 5.750 80 HG3 ARG 11 HG3 ARG 11 8.722 -8.447 6.892 81 HD2 ARG 11 HD2 ARG 11 6.254 -7.955 7.555 82 HD3 ARG 11 HD3 ARG 11 5.929 -9.510 6.789 83 HE ARG 11 HE ARG 11 8.002 -9.996 8.506 84 HH11 ARG 11 HH11 ARG 11 4.784 -8.701 8.807 85 HH12 ARG 11 HH12 ARG 11 4.567 -9.270 10.429 86 HH21 ARG 11 HH21 ARG 11 7.727 -10.750 10.641 87 HH22 ARG 11 HH22 ARG 11 6.242 -10.435 11.471 88 H LEU 12 H LEU 12 8.855 -5.280 3.867 89 HA LEU 12 HA LEU 12 11.563 -5.706 4.395 90 HB2 LEU 12 HB2 LEU 12 9.986 -4.168 2.446 91 HB3 LEU 12 HB3 LEU 12 11.632 -3.592 2.701 92 HG LEU 12 HG LEU 12 11.544 -5.083 0.797 93 HD11 LEU 12 HD11 LEU 12 13.158 -5.525 3.136 94 HD12 LEU 12 HD12 LEU 12 13.603 -5.606 1.432 95 HD13 LEU 12 HD13 LEU 12 12.936 -7.026 2.238 96 HD21 LEU 12 HD21 LEU 12 9.793 -6.533 1.002 97 HD22 LEU 12 HD22 LEU 12 10.090 -6.828 2.715 98 HD23 LEU 12 HD23 LEU 12 11.113 -7.593 1.497 99 H ILE 13 H ILE 13 9.628 -2.742 4.753 100 HA ILE 13 HA ILE 13 11.683 -1.091 5.696 101 HB ILE 13 HB ILE 13 8.731 -0.957 6.321 102 HG12 ILE 13 HG12 ILE 13 9.325 -0.867 3.903 103 HG13 ILE 13 HG13 ILE 13 8.596 0.623 4.493 104 HG21 ILE 13 HG21 ILE 13 11.015 0.842 6.946 105 HG22 ILE 13 HG22 ILE 13 9.461 1.566 6.534 106 HG23 ILE 13 HG23 ILE 13 9.583 0.459 7.902 107 HD11 ILE 13 HD11 ILE 13 10.408 1.825 4.014 108 HD12 ILE 13 HD12 ILE 13 11.506 0.601 4.654 109 HD13 ILE 13 HD13 ILE 13 10.875 0.449 3.014 110 H LYS 14 H LYS 14 9.345 -3.092 7.468 111 HA LYS 14 HA LYS 14 10.160 -2.374 10.056 112 HB2 LYS 14 HB2 LYS 14 8.849 -4.872 8.986 113 HB3 LYS 14 HB3 LYS 14 9.137 -4.606 10.700 114 HG2 LYS 14 HG2 LYS 14 7.669 -2.538 9.138 115 HG3 LYS 14 HG3 LYS 14 6.833 -4.014 9.626 116 HD2 LYS 14 HD2 LYS 14 6.393 -2.665 11.430 117 HD3 LYS 14 HD3 LYS 14 7.880 -3.448 11.970 118 HE2 LYS 14 HE2 LYS 14 9.132 -1.552 11.717 119 HE3 LYS 14 HE3 LYS 14 8.115 -0.923 10.421 120 HZ1 LYS 14 HZ1 LYS 14 7.126 0.352 11.916 121 HZ2 LYS 14 HZ2 LYS 14 8.019 -0.338 13.175 122 HZ3 LYS 14 HZ3 LYS 14 6.545 -1.025 12.709 123 H LYS 15 H LYS 15 11.257 -4.941 7.886 124 HA LYS 15 HA LYS 15 13.015 -6.172 9.736 125 HB2 LYS 15 HB2 LYS 15 12.671 -6.257 6.764 126 HB3 LYS 15 HB3 LYS 15 14.107 -6.974 7.483 127 HG2 LYS 15 HG2 LYS 15 12.669 -8.395 8.884 128 HG3 LYS 15 HG3 LYS 15 11.250 -7.706 8.093 129 HD2 LYS 15 HD2 LYS 15 13.468 -9.154 6.650 130 HD3 LYS 15 HD3 LYS 15 11.958 -9.908 7.167 131 HE2 LYS 15 HE2 LYS 15 10.824 -8.009 5.836 132 HE3 LYS 15 HE3 LYS 15 12.403 -7.801 5.081 133 HZ1 LYS 15 HZ1 LYS 15 11.803 -9.406 3.694 134 HZ2 LYS 15 HZ2 LYS 15 10.425 -9.788 4.596 135 HZ3 LYS 15 HZ3 LYS 15 11.910 -10.498 4.981 136 H PHE 16 H PHE 16 13.582 -3.862 7.088 137 HA PHE 16 HA PHE 16 16.343 -3.600 7.425 138 HB2 PHE 16 HB2 PHE 16 14.258 -1.716 6.332 139 HB3 PHE 16 HB3 PHE 16 15.971 -1.313 6.342 140 HD1 PHE 16 HD2 PHE 16 17.244 -3.826 5.636 141 HD2 PHE 16 HD1 PHE 16 13.673 -2.066 4.130 142 HE1 PHE 16 HE2 PHE 16 17.542 -5.041 3.518 143 HE2 PHE 16 HE1 PHE 16 13.965 -3.279 2.010 144 HZ PHE 16 HZ PHE 16 15.902 -4.768 1.701 145 H THR 17 H THR 17 13.712 -2.338 9.269 146 HA THR 17 HA THR 17 15.027 -0.145 10.479 147 HB THR 17 HB THR 17 12.727 -1.815 11.513 148 HG1 THR 17 HG1 THR 17 11.483 -0.489 10.373 149 HG21 THR 17 HG21 THR 17 12.246 0.245 12.877 150 HG22 THR 17 HG22 THR 17 13.853 0.825 12.439 151 HG23 THR 17 HG23 THR 17 13.675 -0.660 13.374 152 H ALA 18 H ALA 18 15.231 -3.543 10.965 153 HA ALA 18 HA ALA 18 16.225 -3.412 13.663 154 HB1 ALA 18 HB1 ALA 18 16.925 -5.858 12.346 155 HB2 ALA 18 HB2 ALA 18 15.767 -5.583 13.648 156 HB3 ALA 18 HB3 ALA 18 15.257 -5.430 11.967 157 H LEU 19 H LEU 19 17.537 -2.649 10.704 158 HA LEU 19 HA LEU 19 20.260 -3.415 11.487 159 HB2 LEU 19 HB2 LEU 19 19.289 -2.315 8.855 160 HB3 LEU 19 HB3 LEU 19 20.895 -2.952 9.202 161 HG LEU 19 HG LEU 19 18.351 -4.574 9.208 162 HD11 LEU 19 HD11 LEU 19 18.545 -4.469 6.987 163 HD12 LEU 19 HD12 LEU 19 19.951 -5.513 7.191 164 HD13 LEU 19 HD13 LEU 19 20.161 -3.766 7.070 165 HD21 LEU 19 HD21 LEU 19 19.783 -5.709 10.624 166 HD22 LEU 19 HD22 LEU 19 21.225 -5.198 9.746 167 HD23 LEU 19 HD23 LEU 19 20.162 -6.427 9.058 168 H GLY 20 H GLY 20 18.277 -0.937 12.044 169 HA2 GLY 20 HA2 GLY 20 20.111 0.852 12.993 170 HA3 GLY 20 HA3 GLY 20 19.924 1.296 11.303 171 HA PRO 21 HA PRO 21 16.771 3.756 13.510 172 HB2 PRO 21 HB2 PRO 21 16.887 5.841 11.776 173 HB3 PRO 21 HB3 PRO 21 18.017 5.647 13.121 174 HG2 PRO 21 HG2 PRO 21 18.381 4.969 10.228 175 HG3 PRO 21 HG3 PRO 21 19.515 5.751 11.345 176 HD2 PRO 21 HD2 PRO 21 19.685 3.128 10.697 177 HD3 PRO 21 HD3 PRO 21 20.160 3.751 12.290 178 H TYR 22 H TYR 22 14.727 4.721 12.685 179 HA TYR 22 HA TYR 22 13.322 2.899 11.077 180 HB2 TYR 22 HB2 TYR 22 12.589 5.739 11.816 181 HB3 TYR 22 HB3 TYR 22 11.480 4.538 11.164 182 HD1 TYR 22 HD2 TYR 22 11.236 2.341 12.537 183 HD2 TYR 22 HD1 TYR 22 12.821 5.960 14.117 184 HE1 TYR 22 HE2 TYR 22 10.740 1.557 14.815 185 HE2 TYR 22 HE1 TYR 22 12.331 5.185 16.400 186 HH TYR 22 HH TYR 22 10.296 2.677 17.092 187 H ILE 23 H ILE 23 12.875 2.811 8.951 188 HA ILE 23 HA ILE 23 14.382 4.492 7.168 189 HB ILE 23 HB ILE 23 12.381 2.311 6.567 190 HG12 ILE 23 HG12 ILE 23 14.662 1.204 5.858 191 HG13 ILE 23 HG13 ILE 23 15.346 2.370 6.984 192 HG21 ILE 23 HG21 ILE 23 13.872 4.175 4.854 193 HG22 ILE 23 HG22 ILE 23 13.962 2.480 4.376 194 HG23 ILE 23 HG23 ILE 23 12.393 3.269 4.532 195 HD11 ILE 23 HD11 ILE 23 14.795 0.031 7.846 196 HD12 ILE 23 HD12 ILE 23 14.269 1.412 8.810 197 HD13 ILE 23 HD13 ILE 23 13.111 0.553 7.794 198 H ARG 24 H ARG 24 13.614 5.981 5.705 199 HA ARG 24 HA ARG 24 11.160 7.295 6.412 200 HB2 ARG 24 HB2 ARG 24 13.427 7.835 4.559 201 HB3 ARG 24 HB3 ARG 24 11.896 8.633 4.229 202 HG2 ARG 24 HG2 ARG 24 13.406 10.021 5.567 203 HG3 ARG 24 HG3 ARG 24 11.908 9.647 6.423 204 HD2 ARG 24 HD2 ARG 24 12.970 8.103 7.832 205 HD3 ARG 24 HD3 ARG 24 14.385 7.992 6.786 206 HE ARG 24 HE ARG 24 14.365 10.590 7.575 207 HH11 ARG 24 HH11 ARG 24 14.282 7.545 9.259 208 HH12 ARG 24 HH12 ARG 24 15.105 8.148 10.659 209 HH21 ARG 24 HH21 ARG 24 15.449 11.397 9.413 210 HH22 ARG 24 HH22 ARG 24 15.767 10.339 10.746 211 H GLU 25 H GLU 25 9.407 6.062 5.886 212 HA GLU 25 HA GLU 25 9.034 4.464 3.668 213 HB2 GLU 25 HB2 GLU 25 6.925 6.103 5.085 214 HB3 GLU 25 HB3 GLU 25 6.627 4.704 4.063 215 HG2 GLU 25 HG2 GLU 25 7.498 3.221 5.620 216 HG3 GLU 25 HG3 GLU 25 8.377 4.486 6.477 217 H GLY 26 H GLY 26 7.937 4.757 1.676 218 HA2 GLY 26 HA2 GLY 26 8.496 7.331 0.462 219 HA3 GLY 26 HA3 GLY 26 7.953 5.880 -0.367 220 H GLN 27 H GLN 27 6.941 8.454 -0.881 221 HA GLN 27 HA GLN 27 4.337 8.562 0.422 222 HB2 GLN 27 HB2 GLN 27 5.949 10.414 -1.256 223 HB3 GLN 27 HB3 GLN 27 4.200 10.577 -1.325 224 HG2 GLN 27 HG2 GLN 27 4.196 10.768 1.162 225 HG3 GLN 27 HG3 GLN 27 5.958 10.806 1.103 226 HE21 GLN 27 HE21 GLN 27 3.276 12.673 1.274 227 HE22 GLN 27 HE22 GLN 27 3.905 14.154 0.645 228 H CYS 28 H CYS 28 5.472 8.712 -2.959 229 HA CYS 28 HA CYS 28 3.455 6.783 -3.745 230 HB2 CYS 28 HB2 CYS 28 2.579 8.313 -5.542 231 HB3 CYS 28 HB3 CYS 28 2.131 8.770 -3.903 232 HG CYS 28 HG CYS 28 4.888 10.337 -4.497 233 H GLU 29 H GLU 29 3.742 6.001 -5.920 234 HA GLU 29 HA GLU 29 5.198 5.006 -7.399 235 HB2 GLU 29 HB2 GLU 29 6.055 6.581 -9.050 236 HB3 GLU 29 HB3 GLU 29 4.418 7.016 -8.578 237 HG2 GLU 29 HG2 GLU 29 5.134 8.863 -7.348 238 HG3 GLU 29 HG3 GLU 29 6.800 8.290 -7.289 239 H ASP 30 H ASP 30 6.345 5.030 -4.870 240 HA ASP 30 HA ASP 30 9.159 5.711 -5.405 241 HB2 ASP 30 HB2 ASP 30 8.270 6.834 -3.436 242 HB3 ASP 30 HB3 ASP 30 7.731 5.295 -2.771 243 H ASN 31 H ASN 31 9.891 3.902 -6.434 244 HA ASN 31 HA ASN 31 9.432 1.300 -5.167 245 HB2 ASN 31 HB2 ASN 31 10.647 1.941 -7.864 246 HB3 ASN 31 HB3 ASN 31 10.265 0.333 -7.257 247 HD21 ASN 31 HD21 ASN 31 9.305 1.754 -9.629 248 HD22 ASN 31 HD22 ASN 31 7.582 1.779 -9.497 249 H ARG 32 H ARG 32 11.281 3.369 -4.131 250 HA ARG 32 HA ARG 32 13.710 1.713 -4.109 251 HB2 ARG 32 HB2 ARG 32 13.687 4.039 -5.437 252 HB3 ARG 32 HB3 ARG 32 14.026 4.654 -3.825 253 HG2 ARG 32 HG2 ARG 32 16.097 4.314 -4.961 254 HG3 ARG 32 HG3 ARG 32 15.952 3.094 -3.694 255 HD2 ARG 32 HD2 ARG 32 15.677 1.380 -5.187 256 HD3 ARG 32 HD3 ARG 32 14.966 2.423 -6.418 257 HE ARG 32 HE ARG 32 17.727 1.775 -6.106 258 HH11 ARG 32 HH11 ARG 32 15.528 4.254 -7.171 259 HH12 ARG 32 HH12 ARG 32 16.658 4.965 -8.275 260 HH21 ARG 32 HH21 ARG 32 19.224 2.702 -7.556 261 HH22 ARG 32 HH22 ARG 32 18.760 4.081 -8.494 262 H PHE 33 H PHE 33 15.068 2.057 -2.195 263 HA PHE 33 HA PHE 33 13.431 2.786 0.142 264 HB2 PHE 33 HB2 PHE 33 15.648 0.754 -0.151 265 HB3 PHE 33 HB3 PHE 33 14.983 1.243 1.404 266 HD1 PHE 33 HD2 PHE 33 14.277 -0.496 -1.753 267 HD2 PHE 33 HD1 PHE 33 12.849 0.469 2.139 268 HE1 PHE 33 HE2 PHE 33 12.500 -2.180 -1.991 269 HE2 PHE 33 HE1 PHE 33 11.071 -1.215 1.907 270 HZ PHE 33 HZ PHE 33 10.894 -2.543 -0.159 271 H PHE 34 H PHE 34 14.104 4.385 1.422 272 HA PHE 34 HA PHE 34 16.651 5.668 0.806 273 HB2 PHE 34 HB2 PHE 34 14.357 6.869 1.057 274 HB3 PHE 34 HB3 PHE 34 14.649 6.714 2.786 275 HD1 PHE 34 HD1 PHE 34 16.852 7.553 -0.105 276 HD2 PHE 34 HD2 PHE 34 15.268 8.739 3.663 277 HE1 PHE 34 HE1 PHE 34 18.243 9.582 -0.163 278 HE2 PHE 34 HE2 PHE 34 16.655 10.770 3.611 279 HZ PHE 34 HZ PHE 34 18.145 11.195 1.696 280 H PHE 35 H PHE 35 18.216 6.147 2.370 281 HA PHE 35 HA PHE 35 17.929 5.053 5.042 282 HB2 PHE 35 HB2 PHE 35 19.803 3.927 2.984 283 HB3 PHE 35 HB3 PHE 35 20.227 3.876 4.692 284 HD1 PHE 35 HD1 PHE 35 18.331 2.919 6.258 285 HD2 PHE 35 HD2 PHE 35 18.666 2.150 2.085 286 HE1 PHE 35 HE1 PHE 35 16.988 0.876 6.530 287 HE2 PHE 35 HE2 PHE 35 17.323 0.106 2.350 288 HZ PHE 35 HZ PHE 35 16.483 -0.534 4.575 289 H ASP 36 H ASP 36 18.655 6.579 6.352 290 HA ASP 36 HA ASP 36 20.797 8.359 5.407 291 HB2 ASP 36 HB2 ASP 36 19.964 9.816 7.360 292 HB3 ASP 36 HB3 ASP 36 18.939 9.695 5.933 293 H CYS 37 H CYS 37 22.740 7.808 6.130 294 HA CYS 37 HA CYS 37 22.970 6.609 8.804 295 HB2 CYS 37 HB2 CYS 37 24.387 6.203 6.253 296 HB3 CYS 37 HB3 CYS 37 25.428 6.261 7.670 297 HG CYS 37 HG CYS 37 24.285 4.128 8.964 298 H LEU 38 H LEU 38 22.954 8.530 9.991 299 HA LEU 38 HA LEU 38 24.740 10.689 9.398 300 HB2 LEU 38 HB2 LEU 38 23.044 10.028 11.793 301 HB3 LEU 38 HB3 LEU 38 24.056 11.468 11.702 302 HG LEU 38 HG LEU 38 22.718 12.022 9.575 303 HD11 LEU 38 HD11 LEU 38 21.306 9.646 10.584 304 HD12 LEU 38 HD12 LEU 38 21.392 10.313 8.955 305 HD13 LEU 38 HD13 LEU 38 20.282 11.010 10.135 306 HD21 LEU 38 HD21 LEU 38 21.197 12.077 12.172 307 HD22 LEU 38 HD22 LEU 38 21.114 13.228 10.838 308 HD23 LEU 38 HD23 LEU 38 22.568 13.132 11.832 309 H ALA 39 H ALA 39 26.816 9.825 9.331 310 HA ALA 39 HA ALA 39 27.886 8.356 11.566 311 HB1 ALA 39 HB1 ALA 39 29.504 9.564 9.345 312 HB2 ALA 39 HB2 ALA 39 29.850 8.128 10.310 313 HB3 ALA 39 HB3 ALA 39 28.553 8.097 9.116 314 H VAL 40 H VAL 40 28.585 11.535 10.105 315 HA VAL 40 HA VAL 40 29.047 12.676 12.720 316 HB VAL 40 HB VAL 40 31.315 13.610 11.876 317 HG11 VAL 40 HG11 VAL 40 31.730 10.778 12.512 318 HG12 VAL 40 HG12 VAL 40 32.269 12.226 13.364 319 HG13 VAL 40 HG13 VAL 40 30.629 11.621 13.601 320 HG21 VAL 40 HG21 VAL 40 32.362 12.651 10.129 321 HG22 VAL 40 HG22 VAL 40 31.742 11.043 10.505 322 HG23 VAL 40 HG23 VAL 40 30.729 12.198 9.639 323 H CYS 41 H CYS 41 28.706 14.849 12.759 324 HA CYS 41 HA CYS 41 27.412 16.042 10.538 325 HB2 CYS 41 HB2 CYS 41 27.396 18.092 11.940 326 HB3 CYS 41 HB3 CYS 41 26.798 16.675 12.794 327 HG CYS 41 HG CYS 41 29.936 16.710 13.452 328 H VAL 42 H VAL 42 28.194 17.205 8.901 329 HA VAL 42 HA VAL 42 30.964 17.406 8.421 330 HB VAL 42 HB VAL 42 29.409 17.331 6.570 331 HG11 VAL 42 HG11 VAL 42 27.535 18.494 7.604 332 HG12 VAL 42 HG12 VAL 42 28.427 20.015 7.538 333 HG13 VAL 42 HG13 VAL 42 27.935 19.215 6.045 334 HG21 VAL 42 HG21 VAL 42 31.610 18.600 6.419 335 HG22 VAL 42 HG22 VAL 42 30.409 18.941 5.174 336 HG23 VAL 42 HG23 VAL 42 30.643 20.072 6.507 337 H ASN 43 H ASN 43 28.619 19.643 9.769 338 HA ASN 43 HA ASN 43 30.558 21.183 11.093 339 HB2 ASN 43 HB2 ASN 43 30.730 21.854 8.538 340 HB3 ASN 43 HB3 ASN 43 29.326 22.842 8.934 341 HD21 ASN 43 HD21 ASN 43 31.468 24.150 8.113 342 HD22 ASN 43 HD22 ASN 43 32.268 24.949 9.420 343 H VAL 44 H VAL 44 29.645 22.680 12.506 344 HA VAL 44 HA VAL 44 26.702 22.836 12.470 345 HB VAL 44 HB VAL 44 26.693 22.766 14.915 346 HG11 VAL 44 HG11 VAL 44 27.832 20.512 13.338 347 HG12 VAL 44 HG12 VAL 44 27.709 20.344 15.091 348 HG13 VAL 44 HG13 VAL 44 26.263 20.657 14.130 349 HG21 VAL 44 HG21 VAL 44 29.518 23.143 14.567 350 HG22 VAL 44 HG22 VAL 44 28.548 23.264 16.035 351 HG23 VAL 44 HG23 VAL 44 29.214 21.706 15.543 352 H LYS 45 H LYS 45 28.858 24.692 11.542 353 HA LYS 45 HA LYS 45 29.056 26.869 13.336 354 HB2 LYS 45 HB2 LYS 45 29.829 26.275 10.598 355 HB3 LYS 45 HB3 LYS 45 29.281 27.936 10.773 356 HG2 LYS 45 HG2 LYS 45 30.878 28.005 12.801 357 HG3 LYS 45 HG3 LYS 45 31.599 26.568 12.071 358 HD2 LYS 45 HD2 LYS 45 32.849 28.034 10.917 359 HD3 LYS 45 HD3 LYS 45 31.403 28.243 9.926 360 HE2 LYS 45 HE2 LYS 45 31.568 29.868 12.391 361 HE3 LYS 45 HE3 LYS 45 32.697 30.279 11.101 362 HZ1 LYS 45 HZ1 LYS 45 31.063 31.348 10.091 363 HZ2 LYS 45 HZ2 LYS 45 29.962 30.892 11.292 364 HZ3 LYS 45 HZ3 LYS 45 30.193 29.905 9.938 365 HA PRO 46 HA PRO 46 25.486 28.860 10.759 366 HB2 PRO 46 HB2 PRO 46 24.148 27.246 9.034 367 HB3 PRO 46 HB3 PRO 46 25.580 28.172 8.569 368 HG2 PRO 46 HG2 PRO 46 25.356 25.285 9.329 369 HG3 PRO 46 HG3 PRO 46 26.287 26.027 8.014 370 HD2 PRO 46 HD2 PRO 46 27.420 25.269 10.354 371 HD3 PRO 46 HD3 PRO 46 28.002 26.660 9.417 372 H ALA 47 H ALA 47 23.003 28.527 10.647 373 HA ALA 47 HA ALA 47 22.103 27.639 13.136 374 HB1 ALA 47 HB1 ALA 47 19.870 27.587 11.475 375 HB2 ALA 47 HB2 ALA 47 20.442 28.945 12.445 376 HB3 ALA 47 HB3 ALA 47 20.940 28.793 10.760 377 HA PRO 48 HA PRO 48 21.382 23.326 12.776 378 HB2 PRO 48 HB2 PRO 48 19.039 23.016 14.111 379 HB3 PRO 48 HB3 PRO 48 20.566 23.382 14.923 380 HG2 PRO 48 HG2 PRO 48 18.334 25.228 14.166 381 HG3 PRO 48 HG3 PRO 48 19.274 25.165 15.669 382 HD2 PRO 48 HD2 PRO 48 19.769 26.974 13.715 383 HD3 PRO 48 HD3 PRO 48 21.049 26.317 14.754 384 H GLU 49 H GLU 49 18.860 25.495 11.696 385 HA GLU 49 HA GLU 49 17.156 23.604 10.494 386 HB2 GLU 49 HB2 GLU 49 16.361 25.556 9.128 387 HB3 GLU 49 HB3 GLU 49 16.332 25.813 10.867 388 HG2 GLU 49 HG2 GLU 49 17.998 27.364 10.812 389 HG3 GLU 49 HG3 GLU 49 18.745 26.674 9.372 390 H LYS 50 H LYS 50 20.232 24.808 9.587 391 HA LYS 50 HA LYS 50 19.940 23.592 6.917 392 HB2 LYS 50 HB2 LYS 50 21.918 25.100 6.319 393 HB3 LYS 50 HB3 LYS 50 20.352 25.874 6.524 394 HG2 LYS 50 HG2 LYS 50 21.025 26.471 8.845 395 HG3 LYS 50 HG3 LYS 50 22.633 25.838 8.486 396 HD2 LYS 50 HD2 LYS 50 22.629 28.234 8.188 397 HD3 LYS 50 HD3 LYS 50 22.808 27.450 6.617 398 HE2 LYS 50 HE2 LYS 50 20.748 28.110 5.900 399 HE3 LYS 50 HE3 LYS 50 20.057 28.088 7.522 400 HZ1 LYS 50 HZ1 LYS 50 21.799 30.174 6.337 401 HZ2 LYS 50 HZ2 LYS 50 21.408 30.116 7.981 402 HZ3 LYS 50 HZ3 LYS 50 20.189 30.335 6.829 403 H ARG 51 H ARG 51 20.843 22.588 9.682 404 HA ARG 51 HA ARG 51 23.610 21.988 9.466 405 HB2 ARG 51 HB2 ARG 51 23.306 20.598 11.371 406 HB3 ARG 51 HB3 ARG 51 22.241 21.980 11.587 407 HG2 ARG 51 HG2 ARG 51 20.421 20.487 10.571 408 HG3 ARG 51 HG3 ARG 51 21.533 19.155 10.894 409 HD2 ARG 51 HD2 ARG 51 21.640 19.976 13.274 410 HD3 ARG 51 HD3 ARG 51 20.312 21.065 12.875 411 HE ARG 51 HE ARG 51 20.128 18.281 13.420 412 HH11 ARG 51 HH11 ARG 51 18.744 20.835 11.502 413 HH12 ARG 51 HH12 ARG 51 17.197 20.069 11.362 414 HH21 ARG 51 HH21 ARG 51 18.094 17.262 13.244 415 HH22 ARG 51 HH22 ARG 51 16.828 18.038 12.354 416 H GLU 52 H GLU 52 24.650 20.133 8.792 417 HA GLU 52 HA GLU 52 23.002 18.170 7.340 418 HB2 GLU 52 HB2 GLU 52 25.748 19.062 6.466 419 HB3 GLU 52 HB3 GLU 52 24.610 18.061 5.576 420 HG2 GLU 52 HG2 GLU 52 23.084 20.191 5.783 421 HG3 GLU 52 HG3 GLU 52 24.635 21.002 5.985 422 H PHE 53 H PHE 53 24.219 16.099 6.923 423 HA PHE 53 HA PHE 53 26.196 15.492 8.995 424 HB2 PHE 53 HB2 PHE 53 23.782 13.737 8.525 425 HB3 PHE 53 HB3 PHE 53 25.016 13.548 9.766 426 HD1 PHE 53 HD2 PHE 53 25.212 15.393 11.523 427 HD2 PHE 53 HD1 PHE 53 21.848 14.944 8.955 428 HE1 PHE 53 HE2 PHE 53 23.851 16.728 13.078 429 HE2 PHE 53 HE1 PHE 53 20.481 16.279 10.506 430 HZ PHE 53 HZ PHE 53 21.482 17.172 12.571 431 H TRP 54 H TRP 54 27.488 13.651 8.563 432 HA TRP 54 HA TRP 54 27.862 13.170 5.745 433 HB2 TRP 54 HB2 TRP 54 29.342 12.325 8.228 434 HB3 TRP 54 HB3 TRP 54 29.749 11.665 6.646 435 HD1 TRP 54 HD1 TRP 54 31.083 14.094 8.821 436 HE1 TRP 54 HE1 TRP 54 32.240 16.035 7.589 437 HE3 TRP 54 HE3 TRP 54 29.099 13.396 4.161 438 HZ2 TRP 54 HZ2 TRP 54 32.304 17.126 4.987 439 HZ3 TRP 54 HZ3 TRP 54 29.760 14.933 2.356 440 HH2 TRP 54 HH2 TRP 54 31.329 16.759 2.762 441 H GLY 55 H GLY 55 28.085 10.991 4.845 442 HA2 GLY 55 HA2 GLY 55 27.425 8.587 5.876 443 HA3 GLY 55 HA3 GLY 55 25.851 9.341 5.662 444 H TRP 56 H TRP 56 26.166 7.096 4.323 445 HA TRP 56 HA TRP 56 26.757 7.937 1.560 446 HB2 TRP 56 HB2 TRP 56 26.975 5.330 1.260 447 HB3 TRP 56 HB3 TRP 56 28.326 6.275 1.881 448 HD1 TRP 56 HD1 TRP 56 29.236 5.640 4.222 449 HE1 TRP 56 HE1 TRP 56 28.566 3.920 6.017 450 HE3 TRP 56 HE3 TRP 56 24.751 4.144 2.278 451 HZ2 TRP 56 HZ2 TRP 56 26.420 2.162 6.539 452 HZ3 TRP 56 HZ3 TRP 56 23.452 2.439 3.486 453 HH2 TRP 56 HH2 TRP 56 24.271 1.469 5.572 454 H TRP 57 H TRP 57 25.361 7.223 -0.087 455 HA TRP 57 HA TRP 57 22.636 6.774 0.827 456 HB2 TRP 57 HB2 TRP 57 23.586 7.160 -2.015 457 HB3 TRP 57 HB3 TRP 57 21.952 7.365 -1.392 458 HD1 TRP 57 HD1 TRP 57 22.803 9.154 1.179 459 HE1 TRP 57 HE1 TRP 57 23.467 11.609 0.784 460 HE3 TRP 57 HE3 TRP 57 23.983 8.886 -3.788 461 HZ2 TRP 57 HZ2 TRP 57 24.370 13.219 -1.351 462 HZ3 TRP 57 HZ3 TRP 57 24.739 10.929 -4.932 463 HH2 TRP 57 HH2 TRP 57 24.927 13.050 -3.737 464 H MET 58 H MET 58 21.517 4.924 0.603 465 HA MET 58 HA MET 58 22.852 2.698 -0.792 466 HB2 MET 58 HB2 MET 58 22.733 2.351 1.626 467 HB3 MET 58 HB3 MET 58 20.993 2.603 1.591 468 HG2 MET 58 HG2 MET 58 20.956 0.620 -0.046 469 HG3 MET 58 HG3 MET 58 22.581 0.293 0.551 470 HE1 MET 58 HE1 MET 58 21.166 -2.468 2.082 471 HE2 MET 58 HE2 MET 58 19.553 -1.942 1.600 472 HE3 MET 58 HE3 MET 58 20.913 -1.742 0.495 473 H GLU 59 H GLU 59 21.894 2.290 -2.670 474 HA GLU 59 HA GLU 59 18.964 2.545 -2.835 475 HB2 GLU 59 HB2 GLU 59 19.419 2.711 -5.347 476 HB3 GLU 59 HB3 GLU 59 19.854 4.098 -4.357 477 HG2 GLU 59 HG2 GLU 59 21.892 2.008 -4.978 478 HG3 GLU 59 HG3 GLU 59 21.489 3.241 -6.173 479 H LEU 60 H LEU 60 17.990 0.638 -2.760 480 HA LEU 60 HA LEU 60 19.160 -1.595 -4.276 481 HB2 LEU 60 HB2 LEU 60 18.499 -3.148 -2.548 482 HB3 LEU 60 HB3 LEU 60 19.577 -1.921 -1.886 483 HG LEU 60 HG LEU 60 16.661 -1.462 -1.598 484 HD11 LEU 60 HD11 LEU 60 18.081 -3.797 -0.501 485 HD12 LEU 60 HD12 LEU 60 16.361 -3.544 -0.794 486 HD13 LEU 60 HD13 LEU 60 17.118 -2.868 0.648 487 HD21 LEU 60 HD21 LEU 60 17.629 0.185 -0.435 488 HD22 LEU 60 HD22 LEU 60 19.179 -0.652 -0.359 489 HD23 LEU 60 HD23 LEU 60 17.908 -1.041 0.801 490 H GLU 61 H GLU 61 17.644 -3.154 -5.063 491 HA GLU 61 HA GLU 61 14.830 -2.335 -4.997 492 HB2 GLU 61 HB2 GLU 61 16.229 -1.576 -7.101 493 HB3 GLU 61 HB3 GLU 61 15.989 -3.246 -7.597 494 HG2 GLU 61 HG2 GLU 61 13.537 -2.904 -7.300 495 HG3 GLU 61 HG3 GLU 61 13.867 -1.195 -7.020 496 H ALA 62 H ALA 62 13.816 -4.020 -4.136 497 HA ALA 62 HA ALA 62 14.762 -6.641 -4.022 498 HB1 ALA 62 HB1 ALA 62 12.889 -7.099 -2.842 499 HB2 ALA 62 HB2 ALA 62 12.751 -5.340 -2.818 500 HB3 ALA 62 HB3 ALA 62 11.831 -6.281 -3.993 501 H GLN 63 H GLN 63 15.122 -7.969 -5.669 502 HA GLN 63 HA GLN 63 13.723 -7.686 -8.172 503 HB2 GLN 63 HB2 GLN 63 16.167 -8.881 -7.269 504 HB3 GLN 63 HB3 GLN 63 15.232 -10.082 -8.152 505 HG2 GLN 63 HG2 GLN 63 16.154 -7.396 -9.138 506 HG3 GLN 63 HG3 GLN 63 16.683 -8.986 -9.687 507 HE21 GLN 63 HE21 GLN 63 14.737 -10.401 -10.392 508 HE22 GLN 63 HE22 GLN 63 13.626 -9.628 -11.465 509 H GLU 64 H GLU 64 13.307 -10.115 -9.166 510 HA GLU 64 HA GLU 64 10.842 -10.898 -8.210 511 HB2 GLU 64 HB2 GLU 64 12.784 -11.926 -10.117 512 HB3 GLU 64 HB3 GLU 64 11.888 -13.218 -9.331 513 HG2 GLU 64 HG2 GLU 64 9.842 -11.634 -9.927 514 HG3 GLU 64 HG3 GLU 64 10.954 -11.116 -11.193 515 H LYS 65 H LYS 65 13.949 -12.557 -7.657 516 HA LYS 65 HA LYS 65 12.978 -13.427 -5.046 517 HB2 LYS 65 HB2 LYS 65 13.073 -15.152 -7.298 518 HB3 LYS 65 HB3 LYS 65 14.381 -15.627 -6.223 519 HG2 LYS 65 HG2 LYS 65 11.798 -15.144 -4.909 520 HG3 LYS 65 HG3 LYS 65 11.840 -16.514 -6.021 521 HD2 LYS 65 HD2 LYS 65 13.535 -17.590 -4.807 522 HD3 LYS 65 HD3 LYS 65 13.958 -16.118 -3.928 523 HE2 LYS 65 HE2 LYS 65 12.780 -17.414 -2.374 524 HE3 LYS 65 HE3 LYS 65 11.602 -16.236 -2.951 525 HZ1 LYS 65 HZ1 LYS 65 10.616 -17.865 -4.351 526 HZ2 LYS 65 HZ2 LYS 65 10.757 -18.551 -2.812 527 HZ3 LYS 65 HZ3 LYS 65 11.842 -18.987 -4.035 528 H ARG 66 H ARG 66 14.849 -11.450 -5.617 529 HA ARG 66 HA ARG 66 17.128 -12.477 -4.185 530 HB2 ARG 66 HB2 ARG 66 17.257 -11.852 -7.082 531 HB3 ARG 66 HB3 ARG 66 18.579 -11.254 -6.089 532 HG2 ARG 66 HG2 ARG 66 18.881 -13.585 -5.235 533 HG3 ARG 66 HG3 ARG 66 17.701 -14.108 -6.439 534 HD2 ARG 66 HD2 ARG 66 19.108 -13.305 -8.228 535 HD3 ARG 66 HD3 ARG 66 20.250 -12.626 -7.068 536 HE ARG 66 HE ARG 66 21.160 -14.708 -6.802 537 HH11 ARG 66 HH11 ARG 66 18.050 -15.014 -8.336 538 HH12 ARG 66 HH12 ARG 66 18.229 -16.707 -8.656 539 HH21 ARG 66 HH21 ARG 66 21.407 -16.937 -7.217 540 HH22 ARG 66 HH22 ARG 66 20.139 -17.800 -8.019 541 H PHE 67 H PHE 67 18.861 -10.553 -4.132 542 HA PHE 67 HA PHE 67 17.508 -7.969 -3.989 543 HB2 PHE 67 HB2 PHE 67 18.315 -9.579 -1.680 544 HB3 PHE 67 HB3 PHE 67 18.977 -7.948 -1.657 545 HD1 PHE 67 HD1 PHE 67 15.824 -9.871 -1.903 546 HD2 PHE 67 HD2 PHE 67 17.645 -6.115 -1.070 547 HE1 PHE 67 HE1 PHE 67 13.673 -9.017 -1.067 548 HE2 PHE 67 HE2 PHE 67 15.497 -5.256 -0.232 549 HZ PHE 67 HZ PHE 67 13.508 -6.707 -0.229 550 H THR 68 H THR 68 18.860 -6.206 -4.208 551 HA THR 68 HA THR 68 21.741 -6.689 -4.404 552 HB THR 68 HB THR 68 20.945 -6.955 -6.690 553 HG1 THR 68 HG1 THR 68 22.133 -5.071 -7.584 554 HG21 THR 68 HG21 THR 68 19.892 -5.020 -7.855 555 HG22 THR 68 HG22 THR 68 19.724 -4.223 -6.291 556 HG23 THR 68 HG23 THR 68 18.870 -5.733 -6.608 557 H TYR 69 H TYR 69 22.995 -4.970 -3.826 558 HA TYR 69 HA TYR 69 21.627 -2.431 -3.243 559 HB2 TYR 69 HB2 TYR 69 22.667 -2.236 -1.131 560 HB3 TYR 69 HB3 TYR 69 22.074 -3.892 -1.194 561 HD1 TYR 69 HD1 TYR 69 23.861 -5.618 -2.192 562 HD2 TYR 69 HD2 TYR 69 24.805 -1.906 -0.338 563 HE1 TYR 69 HE1 TYR 69 26.120 -6.451 -1.688 564 HE2 TYR 69 HE2 TYR 69 27.066 -2.729 0.171 565 HH TYR 69 HH TYR 69 28.398 -4.541 0.222 566 H ARG 70 H ARG 70 23.340 -0.674 -2.748 567 HA ARG 70 HA ARG 70 25.778 -1.012 -4.317 568 HB2 ARG 70 HB2 ARG 70 23.595 0.968 -4.934 569 HB3 ARG 70 HB3 ARG 70 25.261 1.250 -5.421 570 HG2 ARG 70 HG2 ARG 70 24.592 0.229 -7.305 571 HG3 ARG 70 HG3 ARG 70 24.916 -1.237 -6.377 572 HD2 ARG 70 HD2 ARG 70 22.711 -1.720 -6.110 573 HD3 ARG 70 HD3 ARG 70 22.232 -0.024 -6.085 574 HE ARG 70 HE ARG 70 23.136 -0.754 -8.663 575 HH11 ARG 70 HH11 ARG 70 20.443 -1.149 -6.492 576 HH12 ARG 70 HH12 ARG 70 19.283 -1.364 -7.760 577 HH21 ARG 70 HH21 ARG 70 21.618 -1.036 -10.343 578 HH22 ARG 70 HH22 ARG 70 19.953 -1.301 -9.950 579 H TYR 71 H TYR 71 27.306 0.770 -4.014 580 HA TYR 71 HA TYR 71 26.903 2.113 -1.422 581 HB2 TYR 71 HB2 TYR 71 29.444 2.066 -1.295 582 HB3 TYR 71 HB3 TYR 71 28.628 0.518 -1.112 583 HD1 TYR 71 HD1 TYR 71 28.659 -1.122 -2.974 584 HD2 TYR 71 HD2 TYR 71 30.916 2.482 -3.127 585 HE1 TYR 71 HE1 TYR 71 30.019 -2.058 -4.797 586 HE2 TYR 71 HE2 TYR 71 32.280 1.557 -4.952 587 HH TYR 71 HH TYR 71 32.732 -1.318 -5.634 588 H GLN 72 H GLN 72 26.785 4.247 -1.521 589 HA GLN 72 HA GLN 72 28.330 5.672 -3.568 590 HB2 GLN 72 HB2 GLN 72 25.384 5.787 -3.095 591 HB3 GLN 72 HB3 GLN 72 26.217 7.259 -3.576 592 HG2 GLN 72 HG2 GLN 72 27.203 5.653 -5.434 593 HG3 GLN 72 HG3 GLN 72 25.710 4.774 -5.107 594 HE21 GLN 72 HE21 GLN 72 27.126 7.322 -6.774 595 HE22 GLN 72 HE22 GLN 72 25.686 8.085 -7.347 596 H PHE 73 H PHE 73 29.374 7.422 -2.832 597 HA PHE 73 HA PHE 73 28.969 8.153 -0.028 598 HB2 PHE 73 HB2 PHE 73 31.242 8.398 -1.956 599 HB3 PHE 73 HB3 PHE 73 31.156 9.518 -0.600 600 HD1 PHE 73 HD2 PHE 73 30.708 5.853 -1.163 601 HD2 PHE 73 HD1 PHE 73 32.400 8.941 1.227 602 HE1 PHE 73 HE2 PHE 73 31.734 4.157 0.294 603 HE2 PHE 73 HE1 PHE 73 33.430 7.250 2.688 604 HZ PHE 73 HZ PHE 73 33.098 4.854 2.222 605 H GLY 74 H GLY 74 28.983 10.411 0.604 606 HA2 GLY 74 HA2 GLY 74 28.924 12.675 -0.839 607 HA3 GLY 74 HA3 GLY 74 27.342 11.994 -1.191 608 H LEU 75 H LEU 75 26.941 14.240 -0.149 609 HA LEU 75 HA LEU 75 26.785 13.955 2.774 610 HB2 LEU 75 HB2 LEU 75 27.956 15.918 2.285 611 HB3 LEU 75 HB3 LEU 75 26.877 16.335 0.955 612 HG LEU 75 HG LEU 75 25.114 16.892 2.561 613 HD11 LEU 75 HD11 LEU 75 26.717 15.404 4.342 614 HD12 LEU 75 HD12 LEU 75 25.167 16.183 4.658 615 HD13 LEU 75 HD13 LEU 75 26.669 17.061 4.946 616 HD21 LEU 75 HD21 LEU 75 26.130 18.855 2.112 617 HD22 LEU 75 HD22 LEU 75 27.738 18.235 2.490 618 HD23 LEU 75 HD23 LEU 75 26.653 18.728 3.792 619 H PHE 76 H PHE 76 24.853 14.216 3.847 620 HA PHE 76 HA PHE 76 22.454 14.188 2.143 621 HB2 PHE 76 HB2 PHE 76 22.662 12.123 3.353 622 HB3 PHE 76 HB3 PHE 76 22.960 12.977 4.864 623 HD1 PHE 76 HD1 PHE 76 20.355 13.108 2.189 624 HD2 PHE 76 HD2 PHE 76 21.227 12.832 6.345 625 HE1 PHE 76 HE1 PHE 76 17.946 13.056 2.687 626 HE2 PHE 76 HE2 PHE 76 18.820 12.779 6.851 627 HZ PHE 76 HZ PHE 76 17.176 12.892 5.020 628 H ASP 77 H ASP 77 21.755 16.246 2.049 629 HA ASP 77 HA ASP 77 21.891 18.018 4.311 630 HB2 ASP 77 HB2 ASP 77 22.039 18.633 1.803 631 HB3 ASP 77 HB3 ASP 77 20.280 18.531 1.823 632 H LYS 78 H LYS 78 19.848 19.280 4.904 633 HA LYS 78 HA LYS 78 17.970 17.446 5.997 634 HB2 LYS 78 HB2 LYS 78 16.953 19.327 7.026 635 HB3 LYS 78 HB3 LYS 78 18.681 19.656 7.006 636 HG2 LYS 78 HG2 LYS 78 17.995 21.660 6.250 637 HG3 LYS 78 HG3 LYS 78 17.979 20.823 4.696 638 HD2 LYS 78 HD2 LYS 78 15.887 21.761 4.682 639 HD3 LYS 78 HD3 LYS 78 15.529 20.202 5.429 640 HE2 LYS 78 HE2 LYS 78 14.502 21.512 6.961 641 HE3 LYS 78 HE3 LYS 78 16.132 21.615 7.624 642 HZ1 LYS 78 HZ1 LYS 78 16.458 23.693 6.485 643 HZ2 LYS 78 HZ2 LYS 78 15.051 23.791 7.418 644 HZ3 LYS 78 HZ3 LYS 78 14.941 23.581 5.743 645 H GLU 79 H GLU 79 18.087 19.339 3.096 646 HA GLU 79 HA GLU 79 15.269 19.195 2.552 647 HB2 GLU 79 HB2 GLU 79 17.678 20.220 1.141 648 HB3 GLU 79 HB3 GLU 79 16.280 19.810 0.156 649 HG2 GLU 79 HG2 GLU 79 16.177 21.668 2.517 650 HG3 GLU 79 HG3 GLU 79 16.413 22.198 0.853 651 H GLY 80 H GLY 80 17.783 16.989 2.390 652 HA2 GLY 80 HA2 GLY 80 17.851 14.828 1.603 653 HA3 GLY 80 HA3 GLY 80 16.162 15.006 1.151 654 H ASN 81 H ASN 81 18.232 17.390 -0.132 655 HA ASN 81 HA ASN 81 17.839 16.329 -2.799 656 HB2 ASN 81 HB2 ASN 81 18.826 18.931 -1.678 657 HB3 ASN 81 HB3 ASN 81 19.129 18.531 -3.366 658 HD21 ASN 81 HD21 ASN 81 17.301 20.432 -1.740 659 HD22 ASN 81 HD22 ASN 81 15.782 20.285 -2.551 660 H TRP 82 H TRP 82 19.292 15.211 -3.918 661 HA TRP 82 HA TRP 82 21.649 14.222 -2.871 662 HB2 TRP 82 HB2 TRP 82 20.991 14.650 -5.794 663 HB3 TRP 82 HB3 TRP 82 22.229 13.565 -5.169 664 HD1 TRP 82 HD1 TRP 82 21.331 11.374 -3.795 665 HE1 TRP 82 HE1 TRP 82 19.139 10.048 -4.042 666 HE3 TRP 82 HE3 TRP 82 18.569 14.842 -6.341 667 HZ2 TRP 82 HZ2 TRP 82 16.578 10.423 -5.168 668 HZ3 TRP 82 HZ3 TRP 82 16.257 14.279 -6.966 669 HH2 TRP 82 HH2 TRP 82 15.283 12.115 -6.391 670 H THR 83 H THR 83 23.537 15.122 -2.415 671 HA THR 83 HA THR 83 24.602 17.229 -4.132 672 HB THR 83 HB THR 83 24.649 17.644 -1.153 673 HG1 THR 83 HG1 THR 83 22.545 17.939 -1.374 674 HG21 THR 83 HG21 THR 83 25.930 19.373 -1.730 675 HG22 THR 83 HG22 THR 83 24.582 20.043 -2.649 676 HG23 THR 83 HG23 THR 83 25.742 18.973 -3.436 677 H VAL 84 H VAL 84 26.435 16.270 -4.767 678 HA VAL 84 HA VAL 84 27.966 14.599 -2.967 679 HB VAL 84 HB VAL 84 29.511 14.346 -4.912 680 HG11 VAL 84 HG11 VAL 84 26.585 13.733 -5.187 681 HG12 VAL 84 HG12 VAL 84 27.765 13.187 -6.381 682 HG13 VAL 84 HG13 VAL 84 27.898 12.661 -4.703 683 HG21 VAL 84 HG21 VAL 84 28.070 16.626 -5.837 684 HG22 VAL 84 HG22 VAL 84 29.468 15.833 -6.562 685 HG23 VAL 84 HG23 VAL 84 27.839 15.304 -6.981 686 H VAL 85 H VAL 85 29.509 15.321 -1.669 687 HA VAL 85 HA VAL 85 31.002 17.737 -2.439 688 HB VAL 85 HB VAL 85 31.063 18.421 -0.060 689 HG11 VAL 85 HG11 VAL 85 28.908 18.637 -1.889 690 HG12 VAL 85 HG12 VAL 85 28.230 18.504 -0.265 691 HG13 VAL 85 HG13 VAL 85 29.399 19.773 -0.632 692 HG21 VAL 85 HG21 VAL 85 28.954 16.300 0.329 693 HG22 VAL 85 HG22 VAL 85 30.618 16.194 0.905 694 HG23 VAL 85 HG23 VAL 85 29.540 17.435 1.545 695 HA PRO 86 HA PRO 86 34.640 15.449 -1.532 696 HB2 PRO 86 HB2 PRO 86 36.300 17.431 -0.703 697 HB3 PRO 86 HB3 PRO 86 35.820 17.223 -2.391 698 HG2 PRO 86 HG2 PRO 86 34.739 19.109 -0.333 699 HG3 PRO 86 HG3 PRO 86 35.121 19.413 -2.037 700 HD2 PRO 86 HD2 PRO 86 32.594 18.982 -1.165 701 HD3 PRO 86 HD3 PRO 86 33.147 18.481 -2.777 702 H ILE 87 H ILE 87 35.574 14.370 0.137 703 HA ILE 87 HA ILE 87 34.611 14.995 2.819 704 HB ILE 87 HB ILE 87 36.111 12.579 1.804 705 HG12 ILE 87 HG12 ILE 87 33.810 12.813 0.916 706 HG13 ILE 87 HG13 ILE 87 33.979 11.420 1.977 707 HG21 ILE 87 HG21 ILE 87 34.924 13.206 4.498 708 HG22 ILE 87 HG22 ILE 87 35.384 11.582 3.987 709 HG23 ILE 87 HG23 ILE 87 36.607 12.846 4.116 710 HD11 ILE 87 HD11 ILE 87 31.899 12.539 2.418 711 HD12 ILE 87 HD12 ILE 87 32.975 12.733 3.802 712 HD13 ILE 87 HD13 ILE 87 32.738 14.069 2.676 713 H ASN 88 H ASN 88 35.812 16.232 4.089 714 HA ASN 88 HA ASN 88 38.700 16.383 3.649 715 HB2 ASN 88 HB2 ASN 88 37.197 18.449 3.842 716 HB3 ASN 88 HB3 ASN 88 37.098 18.078 5.560 717 HD21 ASN 88 HD21 ASN 88 38.316 19.497 6.579 718 HD22 ASN 88 HD22 ASN 88 39.938 19.924 6.163 719 H GLU 89 H GLU 89 40.166 16.328 5.474 720 HA GLU 89 HA GLU 89 41.059 15.370 7.335 721 HB2 GLU 89 HB2 GLU 89 38.256 15.199 8.434 722 HB3 GLU 89 HB3 GLU 89 39.764 15.294 9.333 723 HG2 GLU 89 HG2 GLU 89 39.980 17.586 8.046 724 HG3 GLU 89 HG3 GLU 89 38.226 17.433 7.971 725 H THR 90 H THR 90 41.819 13.430 6.723 726 HA THR 90 HA THR 90 40.382 11.251 5.793 727 HB THR 90 HB THR 90 42.825 11.422 5.595 728 HG1 THR 90 HG1 THR 90 42.302 9.073 7.082 729 HG21 THR 90 HG21 THR 90 44.200 11.677 7.340 730 HG22 THR 90 HG22 THR 90 43.468 10.325 8.204 731 HG23 THR 90 HG23 THR 90 42.757 11.934 8.320 732 H GLU 91 H GLU 91 40.906 12.335 9.056 733 HA GLU 91 HA GLU 91 40.438 10.028 10.513 734 HB2 GLU 91 HB2 GLU 91 39.467 11.605 12.255 735 HB3 GLU 91 HB3 GLU 91 41.101 11.955 11.707 736 HG2 GLU 91 HG2 GLU 91 40.449 13.827 10.526 737 HG3 GLU 91 HG3 GLU 91 38.774 13.293 10.403 738 H VAL 92 H VAL 92 38.162 12.140 8.876 739 HA VAL 92 HA VAL 92 35.835 10.867 9.989 740 HB VAL 92 HB VAL 92 36.074 12.734 7.625 741 HG11 VAL 92 HG11 VAL 92 34.007 11.850 7.260 742 HG12 VAL 92 HG12 VAL 92 33.770 11.416 8.954 743 HG13 VAL 92 HG13 VAL 92 33.572 13.091 8.435 744 HG21 VAL 92 HG21 VAL 92 35.686 13.175 10.558 745 HG22 VAL 92 HG22 VAL 92 36.760 14.009 9.435 746 HG23 VAL 92 HG23 VAL 92 35.025 14.319 9.390 747 H VAL 93 H VAL 93 37.500 10.821 6.854 748 HA VAL 93 HA VAL 93 35.782 9.190 5.430 749 HB VAL 93 HB VAL 93 38.231 10.292 4.925 750 HG11 VAL 93 HG11 VAL 93 39.333 8.363 6.026 751 HG12 VAL 93 HG12 VAL 93 38.616 7.303 4.810 752 HG13 VAL 93 HG13 VAL 93 39.774 8.544 4.329 753 HG21 VAL 93 HG21 VAL 93 36.184 9.432 3.465 754 HG22 VAL 93 HG22 VAL 93 37.746 9.826 2.749 755 HG23 VAL 93 HG23 VAL 93 37.330 8.146 3.086 756 H GLU 94 H GLU 94 38.145 8.332 7.872 757 HA GLU 94 HA GLU 94 38.203 5.551 7.396 758 HB2 GLU 94 HB2 GLU 94 38.733 7.144 9.907 759 HB3 GLU 94 HB3 GLU 94 39.032 5.418 9.762 760 HG2 GLU 94 HG2 GLU 94 40.250 7.187 7.725 761 HG3 GLU 94 HG3 GLU 94 40.918 7.237 9.355 762 H ARG 95 H ARG 95 36.097 7.600 9.329 763 HA ARG 95 HA ARG 95 34.748 5.487 10.666 764 HB2 ARG 95 HB2 ARG 95 34.702 7.722 11.584 765 HB3 ARG 95 HB3 ARG 95 33.940 8.348 10.128 766 HG2 ARG 95 HG2 ARG 95 32.320 8.135 11.909 767 HG3 ARG 95 HG3 ARG 95 31.946 7.007 10.604 768 HD2 ARG 95 HD2 ARG 95 31.681 5.930 12.767 769 HD3 ARG 95 HD3 ARG 95 33.012 5.201 11.870 770 HE ARG 95 HE ARG 95 33.818 7.289 13.681 771 HH11 ARG 95 HH11 ARG 95 33.161 3.889 13.319 772 HH12 ARG 95 HH12 ARG 95 34.151 3.422 14.661 773 HH21 ARG 95 HH21 ARG 95 35.125 6.686 15.450 774 HH22 ARG 95 HH22 ARG 95 35.268 5.013 15.873 775 H LEU 96 H LEU 96 34.276 7.140 7.613 776 HA LEU 96 HA LEU 96 31.666 6.131 7.101 777 HB2 LEU 96 HB2 LEU 96 33.786 7.474 5.496 778 HB3 LEU 96 HB3 LEU 96 32.459 6.678 4.652 779 HG LEU 96 HG LEU 96 32.059 9.072 4.907 780 HD11 LEU 96 HD11 LEU 96 30.006 8.300 6.741 781 HD12 LEU 96 HD12 LEU 96 30.309 6.986 5.605 782 HD13 LEU 96 HD13 LEU 96 29.898 8.592 5.005 783 HD21 LEU 96 HD21 LEU 96 33.338 9.410 6.973 784 HD22 LEU 96 HD22 LEU 96 32.105 8.526 7.874 785 HD23 LEU 96 HD23 LEU 96 31.702 10.059 7.098 786 H GLU 97 H GLU 97 34.918 4.991 6.429 787 HA GLU 97 HA GLU 97 34.176 2.918 4.638 788 HB2 GLU 97 HB2 GLU 97 36.545 4.026 5.406 789 HB3 GLU 97 HB3 GLU 97 36.596 2.491 6.262 790 HG2 GLU 97 HG2 GLU 97 36.686 1.258 4.339 791 HG3 GLU 97 HG3 GLU 97 35.863 2.488 3.382 792 H TYR 98 H TYR 98 34.531 3.115 8.128 793 HA TYR 98 HA TYR 98 34.313 0.314 8.604 794 HB2 TYR 98 HB2 TYR 98 35.356 1.730 10.263 795 HB3 TYR 98 HB3 TYR 98 33.890 2.692 10.424 796 HD1 TYR 98 HD2 TYR 98 31.918 1.768 11.573 797 HD2 TYR 98 HD1 TYR 98 35.582 -0.386 11.374 798 HE1 TYR 98 HE2 TYR 98 31.144 0.295 13.384 799 HE2 TYR 98 HE1 TYR 98 34.818 -1.865 13.184 800 HH TYR 98 HH TYR 98 32.796 -1.348 15.252 801 H THR 99 H THR 99 32.026 2.976 8.421 802 HA THR 99 HA THR 99 29.783 1.600 9.454 803 HB THR 99 HB THR 99 28.569 3.386 7.893 804 HG1 THR 99 HG1 THR 99 29.911 5.130 7.464 805 HG21 THR 99 HG21 THR 99 29.684 5.004 9.902 806 HG22 THR 99 HG22 THR 99 29.630 3.371 10.565 807 HG23 THR 99 HG23 THR 99 28.157 4.125 9.955 808 H LEU 100 H LEU 100 30.909 2.154 6.129 809 HA LEU 100 HA LEU 100 28.775 0.720 4.913 810 HB2 LEU 100 HB2 LEU 100 29.823 1.129 2.897 811 HB3 LEU 100 HB3 LEU 100 30.364 2.476 3.897 812 HG LEU 100 HG LEU 100 32.418 0.856 4.323 813 HD11 LEU 100 HD11 LEU 100 32.828 -0.742 2.782 814 HD12 LEU 100 HD12 LEU 100 32.021 0.143 1.487 815 HD13 LEU 100 HD13 LEU 100 31.068 -0.759 2.665 816 HD21 LEU 100 HD21 LEU 100 32.226 3.173 3.194 817 HD22 LEU 100 HD22 LEU 100 32.311 2.266 1.684 818 HD23 LEU 100 HD23 LEU 100 33.634 2.169 2.847 819 H ARG 101 H ARG 101 31.981 -0.143 6.048 820 HA ARG 101 HA ARG 101 32.119 -2.694 4.833 821 HB2 ARG 101 HB2 ARG 101 33.586 -1.251 6.965 822 HB3 ARG 101 HB3 ARG 101 33.687 -3.006 7.003 823 HG2 ARG 101 HG2 ARG 101 34.368 -1.297 4.620 824 HG3 ARG 101 HG3 ARG 101 35.538 -1.953 5.767 825 HD2 ARG 101 HD2 ARG 101 33.719 -3.488 3.920 826 HD3 ARG 101 HD3 ARG 101 35.478 -3.384 3.848 827 HE ARG 101 HE ARG 101 34.876 -4.420 6.332 828 HH11 ARG 101 HH11 ARG 101 34.349 -5.313 3.009 829 HH12 ARG 101 HH12 ARG 101 34.356 -7.016 3.329 830 HH21 ARG 101 HH21 ARG 101 34.887 -6.659 6.767 831 HH22 ARG 101 HH22 ARG 101 34.661 -7.780 5.467 832 H GLU 102 H GLU 102 31.168 -1.676 8.108 833 HA GLU 102 HA GLU 102 30.455 -4.315 8.932 834 HB2 GLU 102 HB2 GLU 102 30.110 -1.570 10.082 835 HB3 GLU 102 HB3 GLU 102 29.232 -2.922 10.782 836 HG2 GLU 102 HG2 GLU 102 32.219 -2.702 10.498 837 HG3 GLU 102 HG3 GLU 102 31.293 -2.507 11.985 838 H PHE 103 H PHE 103 28.797 -1.685 7.374 839 HA PHE 103 HA PHE 103 26.144 -2.341 7.922 840 HB2 PHE 103 HB2 PHE 103 26.242 -0.330 6.841 841 HB3 PHE 103 HB3 PHE 103 27.555 -0.840 5.785 842 HD1 PHE 103 HD1 PHE 103 23.930 -0.779 6.264 843 HD2 PHE 103 HD2 PHE 103 27.114 -1.932 3.686 844 HE1 PHE 103 HE1 PHE 103 22.322 -1.109 4.432 845 HE2 PHE 103 HE2 PHE 103 25.511 -2.263 1.849 846 HZ PHE 103 HZ PHE 103 23.111 -1.853 2.221 847 H HIS 104 H HIS 104 28.349 -3.589 5.467 848 HA HIS 104 HA HIS 104 26.416 -5.157 4.099 849 HB2 HIS 104 HB2 HIS 104 28.403 -4.608 2.913 850 HB3 HIS 104 HB3 HIS 104 29.430 -5.242 4.195 851 HD1 HIS 104 HD1 HIS 104 29.854 -7.769 4.232 852 HD2 HIS 104 HD2 HIS 104 27.293 -6.551 1.196 853 HE1 HIS 104 HE1 HIS 104 29.623 -9.757 2.709 854 H GLU 105 H GLU 105 28.489 -5.712 6.864 855 HA GLU 105 HA GLU 105 28.257 -8.520 6.979 856 HB2 GLU 105 HB2 GLU 105 29.250 -6.381 8.697 857 HB3 GLU 105 HB3 GLU 105 28.525 -7.697 9.609 858 HG2 GLU 105 HG2 GLU 105 30.030 -9.132 7.942 859 HG3 GLU 105 HG3 GLU 105 30.981 -7.649 7.970 860 H LYS 106 H LYS 106 26.408 -5.938 8.572 861 HA LYS 106 HA LYS 106 24.640 -7.698 9.930 862 HB2 LYS 106 HB2 LYS 106 23.275 -5.658 10.305 863 HB3 LYS 106 HB3 LYS 106 24.964 -5.450 10.750 864 HG2 LYS 106 HG2 LYS 106 25.404 -4.074 8.927 865 HG3 LYS 106 HG3 LYS 106 23.967 -4.613 8.054 866 HD2 LYS 106 HD2 LYS 106 22.633 -3.556 9.963 867 HD3 LYS 106 HD3 LYS 106 24.143 -2.765 10.418 868 HE2 LYS 106 HE2 LYS 106 22.758 -1.328 8.999 869 HE3 LYS 106 HE3 LYS 106 24.286 -1.736 8.219 870 HZ1 LYS 106 HZ1 LYS 106 21.983 -3.450 7.669 871 HZ2 LYS 106 HZ2 LYS 106 23.259 -2.997 6.655 872 HZ3 LYS 106 HZ3 LYS 106 21.996 -1.914 6.961 873 H LEU 107 H LEU 107 24.614 -6.167 6.782 874 HA LEU 107 HA LEU 107 21.897 -6.614 6.156 875 HB2 LEU 107 HB2 LEU 107 24.051 -5.388 4.941 876 HB3 LEU 107 HB3 LEU 107 23.707 -6.753 3.880 877 HG LEU 107 HG LEU 107 22.596 -4.692 3.146 878 HD11 LEU 107 HD11 LEU 107 20.485 -6.575 4.140 879 HD12 LEU 107 HD12 LEU 107 21.622 -7.043 2.876 880 HD13 LEU 107 HD13 LEU 107 20.543 -5.671 2.626 881 HD21 LEU 107 HD21 LEU 107 20.462 -4.433 4.912 882 HD22 LEU 107 HD22 LEU 107 21.801 -3.307 4.693 883 HD23 LEU 107 HD23 LEU 107 21.889 -4.550 5.942 884 H ARG 108 H ARG 108 24.782 -8.595 5.842 885 HA ARG 108 HA ARG 108 23.780 -10.596 4.172 886 HB2 ARG 108 HB2 ARG 108 26.138 -10.138 5.604 887 HB3 ARG 108 HB3 ARG 108 25.527 -11.669 6.218 888 HG2 ARG 108 HG2 ARG 108 25.519 -11.354 3.288 889 HG3 ARG 108 HG3 ARG 108 27.102 -11.453 4.062 890 HD2 ARG 108 HD2 ARG 108 25.929 -13.474 5.323 891 HD3 ARG 108 HD3 ARG 108 24.947 -13.486 3.858 892 HE ARG 108 HE ARG 108 26.714 -14.418 2.769 893 HH11 ARG 108 HH11 ARG 108 27.913 -12.738 5.573 894 HH12 ARG 108 HH12 ARG 108 29.552 -13.249 5.340 895 HH21 ARG 108 HH21 ARG 108 28.868 -15.098 2.452 896 HH22 ARG 108 HH22 ARG 108 30.094 -14.591 3.563 897 H ASP 109 H ASP 109 23.652 -10.269 7.697 898 HA ASP 109 HA ASP 109 22.428 -12.760 8.210 899 HB2 ASP 109 HB2 ASP 109 23.566 -11.070 9.838 900 HB3 ASP 109 HB3 ASP 109 21.961 -10.352 9.940 901 H LEU 110 H LEU 110 21.091 -9.517 7.699 902 HA LEU 110 HA LEU 110 18.409 -10.101 8.199 903 HB2 LEU 110 HB2 LEU 110 19.132 -7.835 8.003 904 HB3 LEU 110 HB3 LEU 110 19.687 -8.098 6.351 905 HG LEU 110 HG LEU 110 17.153 -8.616 5.910 906 HD11 LEU 110 HD11 LEU 110 16.083 -6.686 7.525 907 HD12 LEU 110 HD12 LEU 110 17.169 -7.537 8.623 908 HD13 LEU 110 HD13 LEU 110 15.914 -8.426 7.760 909 HD21 LEU 110 HD21 LEU 110 17.256 -5.772 6.201 910 HD22 LEU 110 HD22 LEU 110 17.358 -6.746 4.735 911 HD23 LEU 110 HD23 LEU 110 18.821 -6.365 5.645 912 H LEU 111 H LEU 111 20.164 -10.104 5.099 913 HA LEU 111 HA LEU 111 18.011 -10.960 3.515 914 HB2 LEU 111 HB2 LEU 111 20.981 -11.299 3.142 915 HB3 LEU 111 HB3 LEU 111 19.781 -11.677 1.908 916 HG LEU 111 HG LEU 111 20.382 -8.953 3.057 917 HD11 LEU 111 HD11 LEU 111 20.848 -10.140 0.326 918 HD12 LEU 111 HD12 LEU 111 22.082 -9.726 1.515 919 HD13 LEU 111 HD13 LEU 111 21.116 -8.454 0.768 920 HD21 LEU 111 HD21 LEU 111 18.827 -8.302 1.090 921 HD22 LEU 111 HD22 LEU 111 18.113 -8.833 2.613 922 HD23 LEU 111 HD23 LEU 111 18.215 -9.949 1.251 923 H ILE 112 H ILE 112 20.306 -12.715 5.486 924 HA ILE 112 HA ILE 112 19.755 -15.296 4.430 925 HB ILE 112 HB ILE 112 20.992 -14.380 7.017 926 HG12 ILE 112 HG12 ILE 112 22.297 -16.018 4.867 927 HG13 ILE 112 HG13 ILE 112 22.124 -14.278 4.664 928 HG21 ILE 112 HG21 ILE 112 19.930 -16.423 7.594 929 HG22 ILE 112 HG22 ILE 112 20.436 -17.188 6.089 930 HG23 ILE 112 HG23 ILE 112 21.633 -16.794 7.323 931 HD11 ILE 112 HD11 ILE 112 23.573 -15.684 6.894 932 HD12 ILE 112 HD12 ILE 112 24.300 -14.801 5.551 933 HD13 ILE 112 HD13 ILE 112 23.354 -13.939 6.764 934 H SER 113 H SER 113 18.269 -13.297 6.869 935 HA SER 113 HA SER 113 16.750 -15.366 8.110 936 HB2 SER 113 HB2 SER 113 17.209 -13.298 9.308 937 HB3 SER 113 HB3 SER 113 16.353 -12.364 8.081 938 HG SER 113 HG SER 113 15.366 -13.641 10.231 939 H MET 114 H MET 114 16.346 -13.405 5.284 940 HA MET 114 HA MET 114 13.554 -14.263 5.006 941 HB2 MET 114 HB2 MET 114 13.587 -12.622 3.056 942 HB3 MET 114 HB3 MET 114 13.719 -11.935 4.669 943 HG2 MET 114 HG2 MET 114 16.040 -11.549 4.412 944 HG3 MET 114 HG3 MET 114 16.102 -12.509 2.936 945 HE1 MET 114 HE1 MET 114 13.871 -8.647 3.564 946 HE2 MET 114 HE2 MET 114 14.623 -9.699 4.763 947 HE3 MET 114 HE3 MET 114 15.583 -8.464 3.948 948 H GLU 115 H GLU 115 16.532 -15.355 4.215 949 HA GLU 115 HA GLU 115 17.306 -16.922 2.757 950 HB2 GLU 115 HB2 GLU 115 14.470 -17.262 1.791 951 HB3 GLU 115 HB3 GLU 115 15.774 -18.442 1.756 952 HG2 GLU 115 HG2 GLU 115 15.740 -18.392 4.269 953 HG3 GLU 115 HG3 GLU 115 14.261 -17.440 4.150 954 H LEU 116 H LEU 116 17.201 -14.159 1.988 955 HA LEU 116 HA LEU 116 16.694 -14.304 -0.899 956 HB2 LEU 116 HB2 LEU 116 16.769 -12.120 1.102 957 HB3 LEU 116 HB3 LEU 116 17.312 -11.732 -0.530 958 HG LEU 116 HG LEU 116 14.947 -11.156 -0.130 959 HD11 LEU 116 HD11 LEU 116 16.067 -12.460 -2.318 960 HD12 LEU 116 HD12 LEU 116 14.588 -11.499 -2.293 961 HD13 LEU 116 HD13 LEU 116 14.508 -13.247 -2.067 962 HD21 LEU 116 HD21 LEU 116 14.601 -13.154 1.421 963 HD22 LEU 116 HD22 LEU 116 14.380 -14.105 -0.048 964 HD23 LEU 116 HD23 LEU 116 13.294 -12.760 0.305 965 H ALA 117 H ALA 117 18.304 -14.253 -2.349 966 HA ALA 117 HA ALA 117 21.006 -14.543 -1.451 967 HB1 ALA 117 HB1 ALA 117 21.211 -15.600 -3.389 968 HB2 ALA 117 HB2 ALA 117 19.549 -15.160 -3.787 969 HB3 ALA 117 HB3 ALA 117 20.880 -14.106 -4.267 970 H LEU 118 H LEU 118 22.808 -13.237 -2.207 971 HA LEU 118 HA LEU 118 22.089 -10.436 -2.745 972 HB2 LEU 118 HB2 LEU 118 22.714 -10.869 -0.348 973 HB3 LEU 118 HB3 LEU 118 24.323 -11.302 -0.922 974 HG LEU 118 HG LEU 118 24.676 -9.044 -1.729 975 HD11 LEU 118 HD11 LEU 118 22.653 -7.509 -0.662 976 HD12 LEU 118 HD12 LEU 118 21.798 -8.875 -1.377 977 HD13 LEU 118 HD13 LEU 118 22.878 -7.896 -2.368 978 HD21 LEU 118 HD21 LEU 118 23.708 -8.241 0.868 979 HD22 LEU 118 HD22 LEU 118 25.365 -8.430 0.293 980 HD23 LEU 118 HD23 LEU 118 24.491 -9.820 0.938 981 H GLU 119 H GLU 119 23.324 -9.386 -4.223 982 HA GLU 119 HA GLU 119 25.894 -10.418 -5.039 983 HB2 GLU 119 HB2 GLU 119 23.438 -10.761 -6.692 984 HB3 GLU 119 HB3 GLU 119 24.933 -10.340 -7.516 985 HG2 GLU 119 HG2 GLU 119 25.939 -12.317 -6.191 986 HG3 GLU 119 HG3 GLU 119 24.260 -12.805 -5.972 987 HA PRO 120 HA PRO 120 26.679 -6.226 -6.060 988 HB2 PRO 120 HB2 PRO 120 28.343 -6.443 -8.194 989 HB3 PRO 120 HB3 PRO 120 28.837 -6.847 -6.546 990 HG2 PRO 120 HG2 PRO 120 27.956 -8.662 -8.757 991 HG3 PRO 120 HG3 PRO 120 29.294 -8.863 -7.611 992 HD2 PRO 120 HD2 PRO 120 26.916 -10.122 -7.308 993 HD3 PRO 120 HD3 PRO 120 27.908 -9.609 -5.928 994 H SER 121 H SER 121 26.632 -4.601 -7.868 995 HA SER 121 HA SER 121 24.275 -5.102 -9.513 996 HB2 SER 121 HB2 SER 121 25.783 -2.508 -9.117 997 HB3 SER 121 HB3 SER 121 24.178 -2.703 -9.820 998 HG SER 121 HG SER 121 24.930 -3.271 -7.141 999 H ASP 122 H ASP 122 24.283 -5.230 -11.685 1000 HA ASP 122 HA ASP 122 26.633 -5.841 -13.074 1001 HB2 ASP 122 HB2 ASP 122 25.272 -5.809 -15.085 1002 HB3 ASP 122 HB3 ASP 122 24.362 -6.553 -13.773 1003 H ASP 123 H ASP 123 25.165 -2.812 -12.346 1004 HA ASP 123 HA ASP 123 26.530 -1.350 -14.429 1005 HB2 ASP 123 HB2 ASP 123 25.268 -0.068 -12.026 1006 HB3 ASP 123 HB3 ASP 123 25.387 0.542 -13.674 1007 H PHE 124 H PHE 124 27.413 -2.635 -11.474 1008 HA PHE 124 HA PHE 124 29.471 -0.590 -11.013 1009 HB2 PHE 124 HB2 PHE 124 28.026 -2.496 -9.259 1010 HB3 PHE 124 HB3 PHE 124 29.716 -2.197 -8.867 1011 HD1 PHE 124 HD2 PHE 124 26.491 -0.473 -9.499 1012 HD2 PHE 124 HD1 PHE 124 30.332 -0.301 -7.674 1013 HE1 PHE 124 HE2 PHE 124 25.851 1.610 -8.356 1014 HE2 PHE 124 HE1 PHE 124 29.698 1.782 -6.528 1015 HZ PHE 124 HZ PHE 124 27.456 2.741 -6.869 1016 H ASN 125 H ASN 125 31.651 -1.196 -10.724 1017 HA ASN 125 HA ASN 125 32.360 -3.655 -12.151 1018 HB2 ASN 125 HB2 ASN 125 33.912 -1.136 -11.544 1019 HB3 ASN 125 HB3 ASN 125 34.654 -2.572 -12.242 1020 HD21 ASN 125 HD21 ASN 125 34.721 -2.681 -14.364 1021 HD22 ASN 125 HD22 ASN 125 33.726 -1.788 -15.459 1022 H ASP 126 H ASP 126 34.790 -4.289 -11.330 1023 HA ASP 126 HA ASP 126 34.381 -5.049 -8.527 1024 HB2 ASP 126 HB2 ASP 126 36.131 -6.207 -10.701 1025 HB3 ASP 126 HB3 ASP 126 36.199 -6.734 -9.021 1026 H GLU 127 H GLU 127 35.058 -2.999 -7.692 1027 HA GLU 127 HA GLU 127 37.882 -2.906 -7.177 1028 HB2 GLU 127 HB2 GLU 127 37.549 -1.699 -9.399 1029 HB3 GLU 127 HB3 GLU 127 36.683 -0.471 -8.488 1030 HG2 GLU 127 HG2 GLU 127 38.674 -0.063 -7.137 1031 HG3 GLU 127 HG3 GLU 127 39.544 -1.296 -8.047 1032 HA PRO 128 HA PRO 128 34.999 -1.335 -3.862 1033 HB2 PRO 128 HB2 PRO 128 35.887 -3.028 -1.935 1034 HB3 PRO 128 HB3 PRO 128 34.590 -3.449 -3.060 1035 HG2 PRO 128 HG2 PRO 128 37.490 -4.186 -3.152 1036 HG3 PRO 128 HG3 PRO 128 36.068 -5.195 -3.475 1037 HD2 PRO 128 HD2 PRO 128 37.563 -4.108 -5.454 1038 HD3 PRO 128 HD3 PRO 128 35.815 -4.374 -5.613 1039 H VAL 129 H VAL 129 35.570 -0.191 -1.936 1040 HA VAL 129 HA VAL 129 37.873 1.340 -2.079 1041 HB VAL 129 HB VAL 129 37.402 2.088 0.184 1042 HG11 VAL 129 HG11 VAL 129 34.966 2.662 -0.109 1043 HG12 VAL 129 HG12 VAL 129 36.013 3.069 -1.470 1044 HG13 VAL 129 HG13 VAL 129 34.981 1.641 -1.547 1045 HG21 VAL 129 HG21 VAL 129 36.006 -0.504 0.332 1046 HG22 VAL 129 HG22 VAL 129 36.847 0.406 1.587 1047 HG23 VAL 129 HG23 VAL 129 35.203 0.849 1.128 1048 H LYS 130 H LYS 130 39.918 1.151 -1.367 1049 HA LYS 130 HA LYS 130 40.734 -1.421 -0.277 1050 HB2 LYS 130 HB2 LYS 130 42.090 0.834 -1.662 1051 HB3 LYS 130 HB3 LYS 130 43.059 -0.126 -0.552 1052 HG2 LYS 130 HG2 LYS 130 43.325 -1.025 -2.740 1053 HG3 LYS 130 HG3 LYS 130 42.356 -2.161 -1.800 1054 HD2 LYS 130 HD2 LYS 130 40.440 -1.718 -2.986 1055 HD3 LYS 130 HD3 LYS 130 40.956 -0.085 -3.415 1056 HE2 LYS 130 HE2 LYS 130 41.095 -1.257 -5.425 1057 HE3 LYS 130 HE3 LYS 130 42.755 -1.245 -4.833 1058 HZ1 LYS 130 HZ1 LYS 130 40.840 -3.493 -4.514 1059 HZ2 LYS 130 HZ2 LYS 130 42.451 -3.480 -3.998 1060 HZ3 LYS 130 HZ3 LYS 130 42.092 -3.430 -5.650 1061 H LEU 131 H LEU 131 40.249 -1.450 1.873 1062 HA LEU 131 HA LEU 131 40.714 0.771 3.607 1063 HB2 LEU 131 HB2 LEU 131 40.064 -2.123 4.098 1064 HB3 LEU 131 HB3 LEU 131 40.305 -0.968 5.407 1065 HG LEU 131 HG LEU 131 38.426 0.320 3.941 1066 HD11 LEU 131 HD11 LEU 131 36.699 -1.514 3.508 1067 HD12 LEU 131 HD12 LEU 131 38.067 -2.625 3.498 1068 HD13 LEU 131 HD13 LEU 131 37.991 -1.311 2.325 1069 HD21 LEU 131 HD21 LEU 131 36.852 -0.389 5.630 1070 HD22 LEU 131 HD22 LEU 131 38.432 -0.126 6.369 1071 HD23 LEU 131 HD23 LEU 131 37.870 -1.767 6.046 1072 H SER 132 H SER 132 42.520 -2.073 2.668 1073 HA SER 132 HA SER 132 44.639 -1.382 4.581 1074 HB2 SER 132 HB2 SER 132 45.560 -3.638 4.018 1075 HB3 SER 132 HB3 SER 132 43.943 -3.696 4.719 1076 HG SER 132 HG SER 132 43.604 -4.901 3.006 1077 H ALA 133 H ALA 133 44.870 0.495 2.942 1078 HA ALA 133 HA ALA 133 46.563 -0.305 0.679 1079 HB1 ALA 133 HB1 ALA 133 44.471 1.455 0.762 1080 HB2 ALA 133 HB2 ALA 133 45.870 2.525 0.880 1081 HB3 ALA 133 HB3 ALA 133 45.722 1.413 -0.480 Start of MODEL 8 1 H MET 1 H MET 1 1.708 0.545 -0.981 2 HA MET 1 HA MET 1 1.191 -0.511 -3.665 3 HB2 MET 1 HB2 MET 1 1.691 1.977 -3.726 4 HB3 MET 1 HB3 MET 1 3.304 1.579 -3.149 5 HG2 MET 1 HG2 MET 1 3.728 0.259 -5.123 6 HG3 MET 1 HG3 MET 1 2.080 0.526 -5.687 7 HE1 MET 1 HE1 MET 1 2.028 3.018 -7.816 8 HE2 MET 1 HE2 MET 1 1.121 2.280 -6.496 9 HE3 MET 1 HE3 MET 1 1.636 3.963 -6.379 10 H THR 2 H THR 2 1.944 -2.530 -3.393 11 HA THR 2 HA THR 2 4.231 -3.133 -1.774 12 HB THR 2 HB THR 2 3.954 -5.441 -2.573 13 HG1 THR 2 HG1 THR 2 2.258 -5.882 -4.056 14 HG21 THR 2 HG21 THR 2 2.221 -5.800 -1.182 15 HG22 THR 2 HG22 THR 2 1.138 -4.762 -2.111 16 HG23 THR 2 HG23 THR 2 2.256 -4.053 -0.946 17 H LEU 3 H LEU 3 6.136 -4.284 -2.586 18 HA LEU 3 HA LEU 3 7.435 -2.851 -4.631 19 HB2 LEU 3 HB2 LEU 3 8.278 -5.569 -3.679 20 HB3 LEU 3 HB3 LEU 3 9.290 -4.248 -4.259 21 HG LEU 3 HG LEU 3 7.826 -4.356 -1.623 22 HD11 LEU 3 HD11 LEU 3 9.940 -4.613 -0.609 23 HD12 LEU 3 HD12 LEU 3 10.790 -4.285 -2.119 24 HD13 LEU 3 HD13 LEU 3 9.887 -5.788 -1.924 25 HD21 LEU 3 HD21 LEU 3 9.411 -2.283 -1.304 26 HD22 LEU 3 HD22 LEU 3 7.818 -2.104 -2.040 27 HD23 LEU 3 HD23 LEU 3 9.258 -2.175 -3.058 28 HA PRO 4 HA PRO 4 6.326 -4.935 -8.333 29 HB2 PRO 4 HB2 PRO 4 8.625 -4.720 -9.761 30 HB3 PRO 4 HB3 PRO 4 7.555 -3.347 -9.451 31 HG2 PRO 4 HG2 PRO 4 10.083 -4.131 -8.053 32 HG3 PRO 4 HG3 PRO 4 9.539 -2.522 -8.563 33 HD2 PRO 4 HD2 PRO 4 9.326 -3.389 -6.007 34 HD3 PRO 4 HD3 PRO 4 8.154 -2.273 -6.738 35 H SER 5 H SER 5 8.953 -6.058 -6.400 36 HA SER 5 HA SER 5 9.516 -8.403 -7.962 37 HB2 SER 5 HB2 SER 5 11.342 -8.476 -6.665 38 HB3 SER 5 HB3 SER 5 10.749 -7.049 -5.817 39 HG SER 5 HG SER 5 10.616 -8.329 -4.162 40 H GLY 6 H GLY 6 7.177 -7.519 -5.628 41 HA2 GLY 6 HA2 GLY 6 5.224 -8.943 -5.413 42 HA3 GLY 6 HA3 GLY 6 6.299 -10.332 -5.482 43 H HIS 7 H HIS 7 7.873 -8.148 -3.633 44 HA HIS 7 HA HIS 7 6.984 -9.458 -1.178 45 HB2 HIS 7 HB2 HIS 7 9.500 -8.532 -2.171 46 HB3 HIS 7 HB3 HIS 7 9.141 -7.676 -0.675 47 HD1 HIS 7 HD1 HIS 7 8.222 -11.274 -1.371 48 HD2 HIS 7 HD2 HIS 7 10.830 -9.059 0.986 49 HE1 HIS 7 HE1 HIS 7 9.273 -12.928 0.206 50 HA PRO 8 HA PRO 8 4.786 -5.977 0.354 51 HB2 PRO 8 HB2 PRO 8 5.143 -6.311 3.025 52 HB3 PRO 8 HB3 PRO 8 4.080 -7.344 2.062 53 HG2 PRO 8 HG2 PRO 8 6.880 -7.850 2.990 54 HG3 PRO 8 HG3 PRO 8 5.491 -8.952 2.972 55 HD2 PRO 8 HD2 PRO 8 7.430 -9.023 1.084 56 HD3 PRO 8 HD3 PRO 8 5.739 -9.430 0.731 57 H LYS 9 H LYS 9 5.361 -3.906 0.349 58 HA LYS 9 HA LYS 9 8.029 -3.050 0.813 59 HB2 LYS 9 HB2 LYS 9 7.278 -0.879 0.257 60 HB3 LYS 9 HB3 LYS 9 6.313 -1.973 -0.725 61 HG2 LYS 9 HG2 LYS 9 4.647 -0.640 0.012 62 HG3 LYS 9 HG3 LYS 9 4.682 -1.766 1.371 63 HD2 LYS 9 HD2 LYS 9 5.680 -0.251 2.776 64 HD3 LYS 9 HD3 LYS 9 6.461 0.621 1.455 65 HE2 LYS 9 HE2 LYS 9 4.808 2.091 2.191 66 HE3 LYS 9 HE3 LYS 9 4.084 1.319 0.781 67 HZ1 LYS 9 HZ1 LYS 9 2.534 1.442 2.634 68 HZ2 LYS 9 HZ2 LYS 9 3.590 0.548 3.606 69 HZ3 LYS 9 HZ3 LYS 9 2.881 -0.168 2.247 70 H SER 10 H SER 10 5.136 -3.166 2.771 71 HA SER 10 HA SER 10 6.024 -1.431 4.830 72 HB2 SER 10 HB2 SER 10 4.250 -2.750 6.187 73 HB3 SER 10 HB3 SER 10 3.708 -1.795 4.807 74 HG SER 10 HG SER 10 3.304 -3.586 3.700 75 H ARG 11 H ARG 11 6.070 -4.965 4.477 76 HA ARG 11 HA ARG 11 7.227 -5.542 6.969 77 HB2 ARG 11 HB2 ARG 11 6.177 -7.075 5.068 78 HB3 ARG 11 HB3 ARG 11 7.867 -7.256 4.616 79 HG2 ARG 11 HG2 ARG 11 7.536 -9.045 6.027 80 HG3 ARG 11 HG3 ARG 11 8.217 -7.834 7.115 81 HD2 ARG 11 HD2 ARG 11 6.041 -7.285 7.962 82 HD3 ARG 11 HD3 ARG 11 5.264 -8.311 6.756 83 HE ARG 11 HE ARG 11 6.415 -9.140 9.242 84 HH11 ARG 11 HH11 ARG 11 5.674 -10.140 5.991 85 HH12 ARG 11 HH12 ARG 11 5.597 -11.825 6.387 86 HH21 ARG 11 HH21 ARG 11 6.316 -11.356 9.776 87 HH22 ARG 11 HH22 ARG 11 5.962 -12.515 8.541 88 H LEU 12 H LEU 12 8.619 -4.563 3.915 89 HA LEU 12 HA LEU 12 11.309 -5.234 4.524 90 HB2 LEU 12 HB2 LEU 12 9.878 -3.735 2.444 91 HB3 LEU 12 HB3 LEU 12 11.525 -3.187 2.748 92 HG LEU 12 HG LEU 12 11.405 -4.787 0.895 93 HD11 LEU 12 HD11 LEU 12 13.502 -5.021 1.655 94 HD12 LEU 12 HD12 LEU 12 12.928 -6.582 2.240 95 HD13 LEU 12 HD13 LEU 12 12.985 -5.198 3.332 96 HD21 LEU 12 HD21 LEU 12 9.644 -6.155 2.639 97 HD22 LEU 12 HD22 LEU 12 11.031 -7.206 2.346 98 HD23 LEU 12 HD23 LEU 12 10.098 -6.575 0.987 99 H ILE 13 H ILE 13 9.453 -2.218 4.763 100 HA ILE 13 HA ILE 13 11.529 -0.567 5.653 101 HB ILE 13 HB ILE 13 8.566 -0.416 6.203 102 HG12 ILE 13 HG12 ILE 13 9.288 -0.214 3.833 103 HG13 ILE 13 HG13 ILE 13 8.553 1.261 4.450 104 HG21 ILE 13 HG21 ILE 13 9.186 2.055 6.644 105 HG22 ILE 13 HG22 ILE 13 9.437 0.870 7.924 106 HG23 ILE 13 HG23 ILE 13 10.802 1.424 6.955 107 HD11 ILE 13 HD11 ILE 13 10.495 1.754 3.089 108 HD12 ILE 13 HD12 ILE 13 10.772 2.229 4.765 109 HD13 ILE 13 HD13 ILE 13 11.501 0.752 4.134 110 H LYS 14 H LYS 14 9.136 -2.423 7.521 111 HA LYS 14 HA LYS 14 10.118 -1.675 10.062 112 HB2 LYS 14 HB2 LYS 14 8.357 -3.883 9.056 113 HB3 LYS 14 HB3 LYS 14 8.910 -3.898 10.725 114 HG2 LYS 14 HG2 LYS 14 6.863 -2.841 10.870 115 HG3 LYS 14 HG3 LYS 14 7.993 -1.486 10.810 116 HD2 LYS 14 HD2 LYS 14 7.590 -1.326 8.365 117 HD3 LYS 14 HD3 LYS 14 6.370 -2.593 8.519 118 HE2 LYS 14 HE2 LYS 14 6.191 -0.163 10.243 119 HE3 LYS 14 HE3 LYS 14 5.683 -0.065 8.558 120 HZ1 LYS 14 HZ1 LYS 14 3.781 -0.613 9.808 121 HZ2 LYS 14 HZ2 LYS 14 4.587 -1.816 10.681 122 HZ3 LYS 14 HZ3 LYS 14 4.246 -2.047 9.040 123 H LYS 15 H LYS 15 10.913 -4.295 7.861 124 HA LYS 15 HA LYS 15 12.500 -5.789 9.675 125 HB2 LYS 15 HB2 LYS 15 12.055 -5.755 6.738 126 HB3 LYS 15 HB3 LYS 15 13.539 -6.507 7.308 127 HG2 LYS 15 HG2 LYS 15 11.785 -7.673 8.966 128 HG3 LYS 15 HG3 LYS 15 10.740 -7.391 7.572 129 HD2 LYS 15 HD2 LYS 15 13.346 -8.446 6.823 130 HD3 LYS 15 HD3 LYS 15 12.468 -9.519 7.916 131 HE2 LYS 15 HE2 LYS 15 11.149 -8.317 5.504 132 HE3 LYS 15 HE3 LYS 15 12.105 -9.794 5.387 133 HZ1 LYS 15 HZ1 LYS 15 10.022 -9.635 7.443 134 HZ2 LYS 15 HZ2 LYS 15 10.592 -10.980 6.589 135 HZ3 LYS 15 HZ3 LYS 15 9.547 -9.882 5.838 136 H PHE 16 H PHE 16 13.347 -3.446 7.133 137 HA PHE 16 HA PHE 16 16.123 -3.506 7.561 138 HB2 PHE 16 HB2 PHE 16 14.270 -1.481 6.331 139 HB3 PHE 16 HB3 PHE 16 15.994 -1.159 6.486 140 HD1 PHE 16 HD2 PHE 16 17.203 -3.727 5.884 141 HD2 PHE 16 HD1 PHE 16 13.851 -1.813 4.090 142 HE1 PHE 16 HE2 PHE 16 17.620 -4.961 3.797 143 HE2 PHE 16 HE1 PHE 16 14.262 -3.045 2.000 144 HZ PHE 16 HZ PHE 16 16.149 -4.620 1.851 145 H THR 17 H THR 17 13.557 -1.951 9.273 146 HA THR 17 HA THR 17 14.954 0.140 10.511 147 HB THR 17 HB THR 17 12.619 -1.464 11.571 148 HG1 THR 17 HG1 THR 17 12.870 0.816 9.921 149 HG21 THR 17 HG21 THR 17 13.368 -0.380 13.470 150 HG22 THR 17 HG22 THR 17 12.267 0.821 12.795 151 HG23 THR 17 HG23 THR 17 14.007 0.990 12.563 152 H ALA 18 H ALA 18 15.062 -3.262 11.015 153 HA ALA 18 HA ALA 18 16.101 -3.134 13.699 154 HB1 ALA 18 HB1 ALA 18 15.120 -5.165 11.948 155 HB2 ALA 18 HB2 ALA 18 16.709 -5.636 12.553 156 HB3 ALA 18 HB3 ALA 18 15.416 -5.242 13.686 157 H LEU 19 H LEU 19 17.386 -2.493 10.693 158 HA LEU 19 HA LEU 19 20.095 -3.315 11.476 159 HB2 LEU 19 HB2 LEU 19 19.073 -2.389 8.795 160 HB3 LEU 19 HB3 LEU 19 20.704 -2.960 9.142 161 HG LEU 19 HG LEU 19 18.160 -4.575 9.119 162 HD11 LEU 19 HD11 LEU 19 19.780 -5.881 7.502 163 HD12 LEU 19 HD12 LEU 19 20.527 -4.292 7.342 164 HD13 LEU 19 HD13 LEU 19 18.824 -4.511 6.936 165 HD21 LEU 19 HD21 LEU 19 20.070 -6.414 9.470 166 HD22 LEU 19 HD22 LEU 19 19.174 -5.692 10.806 167 HD23 LEU 19 HD23 LEU 19 20.779 -5.088 10.392 168 H GLY 20 H GLY 20 18.192 -0.752 11.902 169 HA2 GLY 20 HA2 GLY 20 20.109 1.037 12.696 170 HA3 GLY 20 HA3 GLY 20 19.867 1.390 10.991 171 HA PRO 21 HA PRO 21 16.858 4.037 13.193 172 HB2 PRO 21 HB2 PRO 21 16.985 6.049 11.375 173 HB3 PRO 21 HB3 PRO 21 18.145 5.875 12.697 174 HG2 PRO 21 HG2 PRO 21 18.412 5.075 9.825 175 HG3 PRO 21 HG3 PRO 21 19.596 5.867 10.880 176 HD2 PRO 21 HD2 PRO 21 19.676 3.216 10.333 177 HD3 PRO 21 HD3 PRO 21 20.211 3.887 11.887 178 H TYR 22 H TYR 22 14.818 5.025 12.386 179 HA TYR 22 HA TYR 22 13.324 3.184 10.884 180 HB2 TYR 22 HB2 TYR 22 12.665 6.070 11.506 181 HB3 TYR 22 HB3 TYR 22 11.518 4.842 10.984 182 HD1 TYR 22 HD2 TYR 22 11.213 2.794 12.501 183 HD2 TYR 22 HD1 TYR 22 13.110 6.382 13.779 184 HE1 TYR 22 HE2 TYR 22 10.817 2.161 14.845 185 HE2 TYR 22 HE1 TYR 22 12.720 5.759 16.126 186 HH TYR 22 HH TYR 22 10.601 3.714 17.157 187 H ILE 23 H ILE 23 13.188 2.878 8.769 188 HA ILE 23 HA ILE 23 14.554 4.533 6.909 189 HB ILE 23 HB ILE 23 12.614 2.260 6.499 190 HG12 ILE 23 HG12 ILE 23 14.850 1.237 5.633 191 HG13 ILE 23 HG13 ILE 23 15.605 2.536 6.550 192 HG21 ILE 23 HG21 ILE 23 13.505 2.262 4.146 193 HG22 ILE 23 HG22 ILE 23 12.430 3.599 4.550 194 HG23 ILE 23 HG23 ILE 23 14.173 3.858 4.482 195 HD11 ILE 23 HD11 ILE 23 15.373 0.303 7.707 196 HD12 ILE 23 HD12 ILE 23 14.778 1.711 8.587 197 HD13 ILE 23 HD13 ILE 23 13.642 0.631 7.779 198 H ARG 24 H ARG 24 13.806 6.018 5.461 199 HA ARG 24 HA ARG 24 11.323 7.310 6.084 200 HB2 ARG 24 HB2 ARG 24 13.638 7.843 4.303 201 HB3 ARG 24 HB3 ARG 24 12.106 8.580 3.853 202 HG2 ARG 24 HG2 ARG 24 13.061 10.220 5.147 203 HG3 ARG 24 HG3 ARG 24 12.061 9.370 6.327 204 HD2 ARG 24 HD2 ARG 24 14.273 7.951 6.634 205 HD3 ARG 24 HD3 ARG 24 15.018 9.426 6.020 206 HE ARG 24 HE ARG 24 13.870 9.027 8.608 207 HH11 ARG 24 HH11 ARG 24 14.523 11.399 6.145 208 HH12 ARG 24 HH12 ARG 24 14.548 12.732 7.251 209 HH21 ARG 24 HH21 ARG 24 13.901 10.774 10.074 210 HH22 ARG 24 HH22 ARG 24 14.195 12.375 9.486 211 H GLU 25 H GLU 25 9.408 6.745 5.312 212 HA GLU 25 HA GLU 25 9.126 4.860 3.183 213 HB2 GLU 25 HB2 GLU 25 6.959 6.540 4.449 214 HB3 GLU 25 HB3 GLU 25 6.756 5.030 3.571 215 HG2 GLU 25 HG2 GLU 25 8.250 4.016 5.405 216 HG3 GLU 25 HG3 GLU 25 7.865 5.479 6.310 217 H GLY 26 H GLY 26 8.221 8.290 3.546 218 HA2 GLY 26 HA2 GLY 26 8.453 9.930 1.869 219 HA3 GLY 26 HA3 GLY 26 8.640 8.652 0.677 220 H GLN 27 H GLN 27 7.083 10.465 -0.236 221 HA GLN 27 HA GLN 27 4.324 9.613 0.349 222 HB2 GLN 27 HB2 GLN 27 3.674 11.851 -0.631 223 HB3 GLN 27 HB3 GLN 27 4.504 11.910 0.918 224 HG2 GLN 27 HG2 GLN 27 6.114 12.141 -1.570 225 HG3 GLN 27 HG3 GLN 27 5.152 13.522 -1.046 226 HE21 GLN 27 HE21 GLN 27 8.129 12.768 -1.123 227 HE22 GLN 27 HE22 GLN 27 8.697 13.241 0.438 228 H CYS 28 H CYS 28 6.711 10.243 -2.123 229 HA CYS 28 HA CYS 28 4.853 9.673 -4.277 230 HB2 CYS 28 HB2 CYS 28 7.845 10.094 -4.413 231 HB3 CYS 28 HB3 CYS 28 6.716 10.126 -5.763 232 HG CYS 28 HG CYS 28 5.705 12.539 -5.347 233 H GLU 29 H GLU 29 6.004 8.167 -6.059 234 HA GLU 29 HA GLU 29 5.699 5.556 -5.208 235 HB2 GLU 29 HB2 GLU 29 7.203 6.697 -7.558 236 HB3 GLU 29 HB3 GLU 29 7.014 4.967 -7.311 237 HG2 GLU 29 HG2 GLU 29 4.726 5.033 -7.678 238 HG3 GLU 29 HG3 GLU 29 4.626 6.764 -7.359 239 H ASP 30 H ASP 30 6.924 4.141 -4.143 240 HA ASP 30 HA ASP 30 9.642 4.936 -3.414 241 HB2 ASP 30 HB2 ASP 30 7.781 4.133 -1.762 242 HB3 ASP 30 HB3 ASP 30 8.249 2.524 -2.304 243 H ASN 31 H ASN 31 10.458 4.439 -5.567 244 HA ASN 31 HA ASN 31 10.426 1.726 -6.502 245 HB2 ASN 31 HB2 ASN 31 11.768 4.259 -7.391 246 HB3 ASN 31 HB3 ASN 31 12.269 2.713 -8.070 247 HD21 ASN 31 HD21 ASN 31 11.200 4.723 -9.623 248 HD22 ASN 31 HD22 ASN 31 9.655 4.225 -10.213 249 H ARG 32 H ARG 32 12.999 3.872 -5.278 250 HA ARG 32 HA ARG 32 14.525 1.460 -4.544 251 HB2 ARG 32 HB2 ARG 32 16.520 3.050 -4.600 252 HB3 ARG 32 HB3 ARG 32 15.809 2.614 -6.148 253 HG2 ARG 32 HG2 ARG 32 14.553 4.748 -6.120 254 HG3 ARG 32 HG3 ARG 32 15.407 5.186 -4.639 255 HD2 ARG 32 HD2 ARG 32 17.496 5.241 -5.751 256 HD3 ARG 32 HD3 ARG 32 16.834 4.451 -7.182 257 HE ARG 32 HE ARG 32 15.524 6.919 -6.668 258 HH11 ARG 32 HH11 ARG 32 18.456 5.549 -7.951 259 HH12 ARG 32 HH12 ARG 32 18.777 6.889 -9.001 260 HH21 ARG 32 HH21 ARG 32 15.936 8.689 -8.046 261 HH22 ARG 32 HH22 ARG 32 17.343 8.675 -9.053 262 H PHE 33 H PHE 33 15.879 1.653 -2.610 263 HA PHE 33 HA PHE 33 14.464 3.142 -0.527 264 HB2 PHE 33 HB2 PHE 33 16.358 0.797 -0.453 265 HB3 PHE 33 HB3 PHE 33 15.887 1.666 1.004 266 HD1 PHE 33 HD1 PHE 33 13.547 1.630 1.765 267 HD2 PHE 33 HD2 PHE 33 14.872 -0.709 -1.535 268 HE1 PHE 33 HE1 PHE 33 11.517 0.249 1.933 269 HE2 PHE 33 HE2 PHE 33 12.844 -2.092 -1.373 270 HZ PHE 33 HZ PHE 33 11.164 -1.615 0.363 271 H PHE 34 H PHE 34 15.622 4.329 1.081 272 HA PHE 34 HA PHE 34 18.380 5.053 0.450 273 HB2 PHE 34 HB2 PHE 34 16.025 6.870 0.288 274 HB3 PHE 34 HB3 PHE 34 17.515 7.521 0.960 275 HD1 PHE 34 HD2 PHE 34 19.530 7.688 -0.416 276 HD2 PHE 34 HD1 PHE 34 15.830 6.347 -2.035 277 HE1 PHE 34 HE2 PHE 34 20.392 8.067 -2.689 278 HE2 PHE 34 HE1 PHE 34 16.685 6.722 -4.311 279 HZ PHE 34 HZ PHE 34 18.969 7.583 -4.641 280 H PHE 35 H PHE 35 19.532 4.947 2.250 281 HA PHE 35 HA PHE 35 18.186 5.490 4.815 282 HB2 PHE 35 HB2 PHE 35 20.562 3.667 4.417 283 HB3 PHE 35 HB3 PHE 35 19.586 3.852 5.871 284 HD1 PHE 35 HD1 PHE 35 16.891 3.882 4.406 285 HD2 PHE 35 HD2 PHE 35 20.283 1.321 4.175 286 HE1 PHE 35 HE1 PHE 35 15.442 2.035 3.668 287 HE2 PHE 35 HE2 PHE 35 18.840 -0.530 3.436 288 HZ PHE 35 HZ PHE 35 16.417 -0.174 3.181 289 H ASP 36 H ASP 36 19.198 6.789 6.293 290 HA ASP 36 HA ASP 36 21.580 8.212 5.317 291 HB2 ASP 36 HB2 ASP 36 20.838 9.947 7.059 292 HB3 ASP 36 HB3 ASP 36 19.855 9.787 5.606 293 H CYS 37 H CYS 37 23.406 7.518 6.202 294 HA CYS 37 HA CYS 37 23.363 6.566 8.983 295 HB2 CYS 37 HB2 CYS 37 25.141 5.946 6.640 296 HB3 CYS 37 HB3 CYS 37 25.680 5.633 8.285 297 HG CYS 37 HG CYS 37 22.690 4.361 7.957 298 H LEU 38 H LEU 38 23.751 8.280 10.263 299 HA LEU 38 HA LEU 38 25.501 10.417 9.535 300 HB2 LEU 38 HB2 LEU 38 24.530 9.770 12.306 301 HB3 LEU 38 HB3 LEU 38 25.023 11.337 11.668 302 HG LEU 38 HG LEU 38 22.498 9.814 11.048 303 HD11 LEU 38 HD11 LEU 38 21.526 12.021 11.870 304 HD12 LEU 38 HD12 LEU 38 23.135 12.359 12.507 305 HD13 LEU 38 HD13 LEU 38 22.238 10.952 13.079 306 HD21 LEU 38 HD21 LEU 38 23.885 11.958 9.568 307 HD22 LEU 38 HD22 LEU 38 22.153 12.175 9.818 308 HD23 LEU 38 HD23 LEU 38 22.752 10.732 8.999 309 H ALA 39 H ALA 39 27.515 9.502 9.102 310 HA ALA 39 HA ALA 39 28.870 7.920 11.099 311 HB1 ALA 39 HB1 ALA 39 30.191 9.121 8.692 312 HB2 ALA 39 HB2 ALA 39 30.565 7.615 9.532 313 HB3 ALA 39 HB3 ALA 39 29.108 7.735 8.546 314 H VAL 40 H VAL 40 29.583 11.052 9.537 315 HA VAL 40 HA VAL 40 30.795 11.933 12.071 316 HB VAL 40 HB VAL 40 31.883 12.492 9.308 317 HG11 VAL 40 HG11 VAL 40 32.375 13.691 11.955 318 HG12 VAL 40 HG12 VAL 40 33.810 13.302 11.006 319 HG13 VAL 40 HG13 VAL 40 32.577 14.374 10.342 320 HG21 VAL 40 HG21 VAL 40 32.807 10.698 11.536 321 HG22 VAL 40 HG22 VAL 40 32.479 10.277 9.855 322 HG23 VAL 40 HG23 VAL 40 33.889 11.255 10.260 323 H CYS 41 H CYS 41 30.498 14.075 12.626 324 HA CYS 41 HA CYS 41 28.310 15.409 11.258 325 HB2 CYS 41 HB2 CYS 41 28.414 15.168 13.765 326 HB3 CYS 41 HB3 CYS 41 29.762 16.298 13.753 327 HG CYS 41 HG CYS 41 27.985 18.101 14.385 328 H VAL 42 H VAL 42 28.594 16.955 9.803 329 HA VAL 42 HA VAL 42 31.081 17.845 8.916 330 HB VAL 42 HB VAL 42 28.387 19.174 8.601 331 HG11 VAL 42 HG11 VAL 42 30.147 20.779 8.183 332 HG12 VAL 42 HG12 VAL 42 30.972 19.639 7.118 333 HG13 VAL 42 HG13 VAL 42 29.404 20.302 6.656 334 HG21 VAL 42 HG21 VAL 42 28.308 16.997 7.661 335 HG22 VAL 42 HG22 VAL 42 28.533 18.117 6.318 336 HG23 VAL 42 HG23 VAL 42 29.900 17.183 6.925 337 H ASN 43 H ASN 43 29.138 18.928 11.550 338 HA ASN 43 HA ASN 43 29.508 20.465 13.188 339 HB2 ASN 43 HB2 ASN 43 31.906 19.576 12.890 340 HB3 ASN 43 HB3 ASN 43 32.202 21.053 11.978 341 HD21 ASN 43 HD21 ASN 43 33.066 19.921 14.677 342 HD22 ASN 43 HD22 ASN 43 32.834 21.246 15.763 343 H VAL 44 H VAL 44 28.699 22.459 13.336 344 HA VAL 44 HA VAL 44 29.406 24.497 11.385 345 HB VAL 44 HB VAL 44 27.297 23.109 10.650 346 HG11 VAL 44 HG11 VAL 44 25.281 23.592 11.620 347 HG12 VAL 44 HG12 VAL 44 26.332 23.679 13.036 348 HG13 VAL 44 HG13 VAL 44 25.821 25.159 12.223 349 HG21 VAL 44 HG21 VAL 44 26.310 25.593 10.093 350 HG22 VAL 44 HG22 VAL 44 28.004 25.941 10.439 351 HG23 VAL 44 HG23 VAL 44 27.582 24.779 9.181 352 H LYS 45 H LYS 45 28.877 26.625 12.048 353 HA LYS 45 HA LYS 45 29.165 27.149 14.765 354 HB2 LYS 45 HB2 LYS 45 28.554 28.720 12.350 355 HB3 LYS 45 HB3 LYS 45 27.990 29.437 13.854 356 HG2 LYS 45 HG2 LYS 45 30.226 29.387 14.763 357 HG3 LYS 45 HG3 LYS 45 30.820 28.555 13.324 358 HD2 LYS 45 HD2 LYS 45 31.396 30.723 12.831 359 HD3 LYS 45 HD3 LYS 45 29.797 30.634 12.088 360 HE2 LYS 45 HE2 LYS 45 28.810 31.665 14.064 361 HE3 LYS 45 HE3 LYS 45 30.392 31.716 14.841 362 HZ1 LYS 45 HZ1 LYS 45 30.303 33.805 13.992 363 HZ2 LYS 45 HZ2 LYS 45 29.329 33.373 12.679 364 HZ3 LYS 45 HZ3 LYS 45 30.984 33.024 12.655 365 HA PRO 46 HA PRO 46 24.437 28.111 14.984 366 HB2 PRO 46 HB2 PRO 46 22.916 27.394 12.853 367 HB3 PRO 46 HB3 PRO 46 23.689 28.977 12.992 368 HG2 PRO 46 HG2 PRO 46 24.578 26.565 11.459 369 HG3 PRO 46 HG3 PRO 46 24.581 28.268 10.965 370 HD2 PRO 46 HD2 PRO 46 26.810 26.998 11.834 371 HD3 PRO 46 HD3 PRO 46 26.525 28.727 12.116 372 H ALA 47 H ALA 47 22.261 26.627 14.612 373 HA ALA 47 HA ALA 47 22.683 24.311 16.085 374 HB1 ALA 47 HB1 ALA 47 20.425 25.385 14.484 375 HB2 ALA 47 HB2 ALA 47 20.356 23.693 14.978 376 HB3 ALA 47 HB3 ALA 47 20.503 24.961 16.195 377 HA PRO 48 HA PRO 48 24.020 21.196 13.297 378 HB2 PRO 48 HB2 PRO 48 22.711 19.011 14.236 379 HB3 PRO 48 HB3 PRO 48 24.064 19.762 15.091 380 HG2 PRO 48 HG2 PRO 48 21.124 20.058 15.568 381 HG3 PRO 48 HG3 PRO 48 22.434 19.860 16.746 382 HD2 PRO 48 HD2 PRO 48 21.324 22.267 16.192 383 HD3 PRO 48 HD3 PRO 48 23.031 22.084 16.644 384 H GLU 49 H GLU 49 20.536 21.466 13.795 385 HA GLU 49 HA GLU 49 19.718 19.871 11.625 386 HB2 GLU 49 HB2 GLU 49 17.566 21.126 11.812 387 HB3 GLU 49 HB3 GLU 49 18.132 20.444 13.330 388 HG2 GLU 49 HG2 GLU 49 18.961 22.614 14.026 389 HG3 GLU 49 HG3 GLU 49 18.466 23.313 12.485 390 H LYS 50 H LYS 50 21.118 22.984 11.750 391 HA LYS 50 HA LYS 50 20.076 23.863 9.199 392 HB2 LYS 50 HB2 LYS 50 21.857 25.002 11.293 393 HB3 LYS 50 HB3 LYS 50 22.034 25.619 9.656 394 HG2 LYS 50 HG2 LYS 50 19.559 26.064 9.672 395 HG3 LYS 50 HG3 LYS 50 19.585 25.688 11.396 396 HD2 LYS 50 HD2 LYS 50 21.292 27.466 11.702 397 HD3 LYS 50 HD3 LYS 50 21.110 27.884 9.997 398 HE2 LYS 50 HE2 LYS 50 19.750 29.400 11.197 399 HE3 LYS 50 HE3 LYS 50 18.654 28.225 10.472 400 HZ1 LYS 50 HZ1 LYS 50 17.969 27.549 12.464 401 HZ2 LYS 50 HZ2 LYS 50 18.709 28.935 13.092 402 HZ3 LYS 50 HZ3 LYS 50 19.539 27.461 13.090 403 H ARG 51 H ARG 51 22.578 21.862 10.262 404 HA ARG 51 HA ARG 51 23.954 22.131 7.669 405 HB2 ARG 51 HB2 ARG 51 25.240 22.811 9.791 406 HB3 ARG 51 HB3 ARG 51 25.276 21.093 10.165 407 HG2 ARG 51 HG2 ARG 51 27.319 21.567 9.110 408 HG3 ARG 51 HG3 ARG 51 26.332 20.754 7.894 409 HD2 ARG 51 HD2 ARG 51 26.220 23.720 8.028 410 HD3 ARG 51 HD3 ARG 51 27.677 22.979 7.366 411 HE ARG 51 HE ARG 51 25.725 21.720 6.014 412 HH11 ARG 51 HH11 ARG 51 26.348 25.086 6.645 413 HH12 ARG 51 HH12 ARG 51 25.626 25.631 5.167 414 HH21 ARG 51 HH21 ARG 51 24.772 22.425 4.065 415 HH22 ARG 51 HH22 ARG 51 24.729 24.117 3.701 416 H GLU 52 H GLU 52 24.815 20.179 6.757 417 HA GLU 52 HA GLU 52 23.155 17.863 7.395 418 HB2 GLU 52 HB2 GLU 52 25.055 18.119 5.071 419 HB3 GLU 52 HB3 GLU 52 23.680 17.036 5.234 420 HG2 GLU 52 HG2 GLU 52 22.554 18.520 4.029 421 HG3 GLU 52 HG3 GLU 52 22.533 19.517 5.483 422 H PHE 53 H PHE 53 24.229 15.681 7.167 423 HA PHE 53 HA PHE 53 26.897 15.733 8.417 424 HB2 PHE 53 HB2 PHE 53 24.794 13.624 8.914 425 HB3 PHE 53 HB3 PHE 53 26.303 13.866 9.788 426 HD1 PHE 53 HD2 PHE 53 26.349 16.666 10.405 427 HD2 PHE 53 HD1 PHE 53 23.044 13.984 10.354 428 HE1 PHE 53 HE2 PHE 53 25.176 18.087 12.035 429 HE2 PHE 53 HE1 PHE 53 21.865 15.402 11.984 430 HZ PHE 53 HZ PHE 53 22.931 17.455 12.827 431 H TRP 54 H TRP 54 28.097 13.638 8.146 432 HA TRP 54 HA TRP 54 28.070 12.923 5.349 433 HB2 TRP 54 HB2 TRP 54 29.871 12.192 7.656 434 HB3 TRP 54 HB3 TRP 54 30.062 11.495 6.050 435 HD1 TRP 54 HD1 TRP 54 31.686 13.961 7.965 436 HE1 TRP 54 HE1 TRP 54 32.665 15.872 6.545 437 HE3 TRP 54 HE3 TRP 54 29.074 13.180 3.640 438 HZ2 TRP 54 HZ2 TRP 54 32.369 16.911 3.937 439 HZ3 TRP 54 HZ3 TRP 54 29.480 14.677 1.730 440 HH2 TRP 54 HH2 TRP 54 31.094 16.504 1.878 441 H GLY 55 H GLY 55 27.434 11.028 4.454 442 HA2 GLY 55 HA2 GLY 55 27.147 8.578 5.782 443 HA3 GLY 55 HA3 GLY 55 25.592 9.396 5.823 444 H TRP 56 H TRP 56 27.129 7.075 4.254 445 HA TRP 56 HA TRP 56 26.426 7.829 1.536 446 HB2 TRP 56 HB2 TRP 56 27.425 5.690 0.897 447 HB3 TRP 56 HB3 TRP 56 28.513 6.591 1.950 448 HD1 TRP 56 HD1 TRP 56 28.836 5.649 4.467 449 HE1 TRP 56 HE1 TRP 56 28.529 3.285 5.436 450 HE3 TRP 56 HE3 TRP 56 26.045 3.589 0.711 451 HZ2 TRP 56 HZ2 TRP 56 27.271 0.866 4.704 452 HZ3 TRP 56 HZ3 TRP 56 25.331 1.244 0.923 453 HH2 TRP 56 HH2 TRP 56 25.933 -0.088 2.879 454 H TRP 57 H TRP 57 24.552 7.362 0.597 455 HA TRP 57 HA TRP 57 22.581 5.807 2.037 456 HB2 TRP 57 HB2 TRP 57 21.077 6.490 0.151 457 HB3 TRP 57 HB3 TRP 57 21.810 7.840 1.013 458 HD1 TRP 57 HD1 TRP 57 22.821 5.742 -2.110 459 HE1 TRP 57 HE1 TRP 57 23.641 7.380 -3.919 460 HE3 TRP 57 HE3 TRP 57 22.242 10.131 0.447 461 HZ2 TRP 57 HZ2 TRP 57 23.996 10.164 -4.221 462 HZ3 TRP 57 HZ3 TRP 57 22.845 12.237 -0.673 463 HH2 TRP 57 HH2 TRP 57 23.704 12.251 -2.958 464 H MET 58 H MET 58 21.369 4.068 1.053 465 HA MET 58 HA MET 58 22.867 2.609 -1.018 466 HB2 MET 58 HB2 MET 58 22.954 1.806 1.516 467 HB3 MET 58 HB3 MET 58 21.416 1.072 1.082 468 HG2 MET 58 HG2 MET 58 23.586 0.610 -0.835 469 HG3 MET 58 HG3 MET 58 23.833 -0.097 0.760 470 HE1 MET 58 HE1 MET 58 20.714 -1.684 1.549 471 HE2 MET 58 HE2 MET 58 21.926 -2.908 1.169 472 HE3 MET 58 HE3 MET 58 22.408 -1.402 1.952 473 H GLU 59 H GLU 59 21.663 2.221 -2.748 474 HA GLU 59 HA GLU 59 18.738 2.097 -2.424 475 HB2 GLU 59 HB2 GLU 59 18.730 2.702 -4.903 476 HB3 GLU 59 HB3 GLU 59 19.201 3.967 -3.777 477 HG2 GLU 59 HG2 GLU 59 21.306 2.266 -5.019 478 HG3 GLU 59 HG3 GLU 59 20.560 3.554 -5.964 479 H LEU 60 H LEU 60 17.926 0.127 -2.617 480 HA LEU 60 HA LEU 60 19.121 -1.709 -4.579 481 HB2 LEU 60 HB2 LEU 60 18.731 -3.573 -3.051 482 HB3 LEU 60 HB3 LEU 60 19.854 -2.394 -2.376 483 HG LEU 60 HG LEU 60 17.374 -1.623 -1.389 484 HD11 LEU 60 HD11 LEU 60 16.094 -3.459 -1.682 485 HD12 LEU 60 HD12 LEU 60 16.949 -4.007 -0.240 486 HD13 LEU 60 HD13 LEU 60 17.481 -4.538 -1.835 487 HD21 LEU 60 HD21 LEU 60 18.391 -2.900 0.698 488 HD22 LEU 60 HD22 LEU 60 19.093 -1.401 0.088 489 HD23 LEU 60 HD23 LEU 60 19.813 -2.953 -0.344 490 H GLU 61 H GLU 61 17.650 -3.413 -5.310 491 HA GLU 61 HA GLU 61 14.811 -2.704 -5.019 492 HB2 GLU 61 HB2 GLU 61 15.923 -1.911 -7.200 493 HB3 GLU 61 HB3 GLU 61 15.976 -3.612 -7.640 494 HG2 GLU 61 HG2 GLU 61 13.444 -3.575 -7.104 495 HG3 GLU 61 HG3 GLU 61 13.610 -1.829 -7.279 496 H ALA 62 H ALA 62 13.865 -4.373 -4.059 497 HA ALA 62 HA ALA 62 14.834 -6.935 -3.771 498 HB1 ALA 62 HB1 ALA 62 12.953 -7.307 -2.614 499 HB2 ALA 62 HB2 ALA 62 12.620 -5.599 -2.902 500 HB3 ALA 62 HB3 ALA 62 11.916 -6.825 -3.957 501 H GLN 63 H GLN 63 14.817 -8.780 -4.938 502 HA GLN 63 HA GLN 63 13.810 -8.598 -7.685 503 HB2 GLN 63 HB2 GLN 63 16.177 -9.681 -6.507 504 HB3 GLN 63 HB3 GLN 63 15.293 -10.988 -7.282 505 HG2 GLN 63 HG2 GLN 63 16.296 -8.452 -8.542 506 HG3 GLN 63 HG3 GLN 63 16.824 -10.103 -8.864 507 HE21 GLN 63 HE21 GLN 63 15.207 -11.564 -9.792 508 HE22 GLN 63 HE22 GLN 63 14.045 -10.917 -10.894 509 H GLU 64 H GLU 64 13.454 -11.132 -8.440 510 HA GLU 64 HA GLU 64 10.913 -11.794 -7.572 511 HB2 GLU 64 HB2 GLU 64 12.534 -12.676 -9.557 512 HB3 GLU 64 HB3 GLU 64 12.579 -14.060 -8.475 513 HG2 GLU 64 HG2 GLU 64 10.138 -14.176 -8.523 514 HG3 GLU 64 HG3 GLU 64 10.098 -12.796 -9.619 515 H LYS 65 H LYS 65 13.934 -13.503 -6.744 516 HA LYS 65 HA LYS 65 12.808 -14.108 -4.111 517 HB2 LYS 65 HB2 LYS 65 13.597 -16.456 -4.282 518 HB3 LYS 65 HB3 LYS 65 12.298 -16.081 -5.407 519 HG2 LYS 65 HG2 LYS 65 13.604 -17.074 -6.920 520 HG3 LYS 65 HG3 LYS 65 14.493 -15.549 -6.922 521 HD2 LYS 65 HD2 LYS 65 16.165 -16.388 -5.521 522 HD3 LYS 65 HD3 LYS 65 15.160 -17.732 -4.974 523 HE2 LYS 65 HE2 LYS 65 15.853 -17.543 -7.865 524 HE3 LYS 65 HE3 LYS 65 17.091 -18.086 -6.733 525 HZ1 LYS 65 HZ1 LYS 65 15.138 -19.626 -5.938 526 HZ2 LYS 65 HZ2 LYS 65 16.121 -20.062 -7.243 527 HZ3 LYS 65 HZ3 LYS 65 14.594 -19.390 -7.523 528 H ARG 66 H ARG 66 14.907 -12.310 -5.181 529 HA ARG 66 HA ARG 66 17.009 -13.110 -3.331 530 HB2 ARG 66 HB2 ARG 66 17.332 -12.904 -6.279 531 HB3 ARG 66 HB3 ARG 66 18.621 -12.243 -5.283 532 HG2 ARG 66 HG2 ARG 66 19.263 -14.285 -4.506 533 HG3 ARG 66 HG3 ARG 66 17.645 -14.974 -4.658 534 HD2 ARG 66 HD2 ARG 66 19.524 -14.339 -6.931 535 HD3 ARG 66 HD3 ARG 66 19.185 -15.945 -6.288 536 HE ARG 66 HE ARG 66 16.753 -14.824 -7.024 537 HH11 ARG 66 HH11 ARG 66 19.723 -15.819 -8.543 538 HH12 ARG 66 HH12 ARG 66 18.972 -16.208 -10.055 539 HH21 ARG 66 HH21 ARG 66 15.752 -15.333 -9.010 540 HH22 ARG 66 HH22 ARG 66 16.713 -15.931 -10.320 541 H PHE 67 H PHE 67 18.678 -11.294 -3.144 542 HA PHE 67 HA PHE 67 17.364 -8.680 -3.476 543 HB2 PHE 67 HB2 PHE 67 18.307 -9.993 -1.037 544 HB3 PHE 67 HB3 PHE 67 18.955 -8.369 -1.243 545 HD1 PHE 67 HD2 PHE 67 17.497 -6.435 -1.223 546 HD2 PHE 67 HD1 PHE 67 15.953 -10.364 -0.680 547 HE1 PHE 67 HE2 PHE 67 15.387 -5.486 -0.384 548 HE2 PHE 67 HE1 PHE 67 13.841 -9.422 0.159 549 HZ PHE 67 HZ PHE 67 13.555 -6.980 0.307 550 H THR 68 H THR 68 18.895 -6.837 -3.377 551 HA THR 68 HA THR 68 21.635 -7.519 -4.160 552 HB THR 68 HB THR 68 20.400 -7.266 -6.264 553 HG1 THR 68 HG1 THR 68 22.474 -6.558 -6.446 554 HG21 THR 68 HG21 THR 68 18.665 -5.709 -5.315 555 HG22 THR 68 HG22 THR 68 19.308 -5.236 -6.888 556 HG23 THR 68 HG23 THR 68 19.862 -4.420 -5.426 557 H TYR 69 H TYR 69 23.054 -5.569 -4.222 558 HA TYR 69 HA TYR 69 22.161 -3.216 -2.823 559 HB2 TYR 69 HB2 TYR 69 23.448 -3.431 -0.853 560 HB3 TYR 69 HB3 TYR 69 22.623 -4.976 -1.031 561 HD1 TYR 69 HD1 TYR 69 24.099 -6.655 -2.642 562 HD2 TYR 69 HD2 TYR 69 25.614 -3.593 -0.106 563 HE1 TYR 69 HE1 TYR 69 26.259 -7.825 -2.530 564 HE2 TYR 69 HE2 TYR 69 27.779 -4.754 0.012 565 HH TYR 69 HH TYR 69 28.269 -7.893 -1.559 566 H ARG 70 H ARG 70 23.531 -1.482 -3.093 567 HA ARG 70 HA ARG 70 26.060 -1.983 -4.507 568 HB2 ARG 70 HB2 ARG 70 24.076 -1.239 -5.990 569 HB3 ARG 70 HB3 ARG 70 24.282 0.332 -5.227 570 HG2 ARG 70 HG2 ARG 70 26.756 -0.832 -6.273 571 HG3 ARG 70 HG3 ARG 70 25.533 -0.479 -7.496 572 HD2 ARG 70 HD2 ARG 70 25.584 1.781 -7.091 573 HD3 ARG 70 HD3 ARG 70 26.128 1.578 -5.426 574 HE ARG 70 HE ARG 70 28.301 1.591 -6.164 575 HH11 ARG 70 HH11 ARG 70 26.156 1.195 -8.878 576 HH12 ARG 70 HH12 ARG 70 27.404 1.403 -10.061 577 HH21 ARG 70 HH21 ARG 70 29.953 1.866 -7.713 578 HH22 ARG 70 HH22 ARG 70 29.563 1.783 -9.398 579 H TYR 71 H TYR 71 27.567 -0.153 -4.419 580 HA TYR 71 HA TYR 71 27.356 1.213 -1.834 581 HB2 TYR 71 HB2 TYR 71 29.774 0.799 -3.604 582 HB3 TYR 71 HB3 TYR 71 29.783 1.520 -1.999 583 HD1 TYR 71 HD1 TYR 71 27.990 -0.306 -0.529 584 HD2 TYR 71 HD2 TYR 71 31.033 -1.150 -3.380 585 HE1 TYR 71 HE1 TYR 71 28.302 -2.531 0.472 586 HE2 TYR 71 HE2 TYR 71 31.353 -3.378 -2.388 587 HH TYR 71 HH TYR 71 29.693 -4.331 0.561 588 H GLN 72 H GLN 72 26.614 3.221 -1.901 589 HA GLN 72 HA GLN 72 27.598 5.016 -4.004 590 HB2 GLN 72 HB2 GLN 72 25.100 4.054 -4.169 591 HB3 GLN 72 HB3 GLN 72 24.801 5.411 -3.092 592 HG2 GLN 72 HG2 GLN 72 24.430 5.996 -5.432 593 HG3 GLN 72 HG3 GLN 72 25.729 6.946 -4.712 594 HE21 GLN 72 HE21 GLN 72 25.122 4.060 -6.659 595 HE22 GLN 72 HE22 GLN 72 26.564 4.176 -7.603 596 H PHE 73 H PHE 73 28.648 6.624 -3.063 597 HA PHE 73 HA PHE 73 28.035 7.345 -0.306 598 HB2 PHE 73 HB2 PHE 73 30.325 7.891 -2.165 599 HB3 PHE 73 HB3 PHE 73 30.097 8.890 -0.734 600 HD1 PHE 73 HD2 PHE 73 30.394 5.335 -1.786 601 HD2 PHE 73 HD1 PHE 73 30.989 8.217 1.289 602 HE1 PHE 73 HE2 PHE 73 31.553 3.642 -0.428 603 HE2 PHE 73 HE1 PHE 73 32.150 6.529 2.651 604 HZ PHE 73 HZ PHE 73 32.434 4.238 1.793 605 H GLY 74 H GLY 74 27.627 9.500 0.358 606 HA2 GLY 74 HA2 GLY 74 27.303 11.661 -1.441 607 HA3 GLY 74 HA3 GLY 74 25.749 10.891 -1.158 608 H LEU 75 H LEU 75 24.841 12.617 -0.075 609 HA LEU 75 HA LEU 75 25.730 12.926 2.685 610 HB2 LEU 75 HB2 LEU 75 26.854 14.753 1.692 611 HB3 LEU 75 HB3 LEU 75 25.452 15.173 0.710 612 HG LEU 75 HG LEU 75 25.124 15.323 3.651 613 HD11 LEU 75 HD11 LEU 75 26.455 17.111 4.041 614 HD12 LEU 75 HD12 LEU 75 26.343 17.699 2.383 615 HD13 LEU 75 HD13 LEU 75 27.422 16.359 2.772 616 HD21 LEU 75 HD21 LEU 75 23.283 16.347 2.957 617 HD22 LEU 75 HD22 LEU 75 23.825 16.248 1.282 618 HD23 LEU 75 HD23 LEU 75 24.278 17.634 2.275 619 H PHE 76 H PHE 76 24.095 13.400 4.120 620 HA PHE 76 HA PHE 76 21.382 13.294 2.997 621 HB2 PHE 76 HB2 PHE 76 21.787 11.455 4.475 622 HB3 PHE 76 HB3 PHE 76 22.466 12.516 5.705 623 HD1 PHE 76 HD1 PHE 76 19.337 12.816 3.714 624 HD2 PHE 76 HD2 PHE 76 21.102 12.327 7.556 625 HE1 PHE 76 HE1 PHE 76 17.117 13.020 4.756 626 HE2 PHE 76 HE2 PHE 76 18.885 12.529 8.604 627 HZ PHE 76 HZ PHE 76 16.889 12.877 7.204 628 H ASP 77 H ASP 77 20.357 15.170 2.900 629 HA ASP 77 HA ASP 77 21.100 17.324 4.731 630 HB2 ASP 77 HB2 ASP 77 19.770 18.765 3.218 631 HB3 ASP 77 HB3 ASP 77 21.046 17.898 2.369 632 H LYS 78 H LYS 78 19.009 18.824 5.118 633 HA LYS 78 HA LYS 78 17.315 17.233 6.828 634 HB2 LYS 78 HB2 LYS 78 16.363 19.411 7.509 635 HB3 LYS 78 HB3 LYS 78 18.116 19.371 7.643 636 HG2 LYS 78 HG2 LYS 78 18.408 20.953 6.069 637 HG3 LYS 78 HG3 LYS 78 17.057 20.381 5.089 638 HD2 LYS 78 HD2 LYS 78 16.408 22.504 5.883 639 HD3 LYS 78 HD3 LYS 78 15.539 21.340 6.887 640 HE2 LYS 78 HE2 LYS 78 16.807 21.794 8.747 641 HE3 LYS 78 HE3 LYS 78 18.200 22.317 7.802 642 HZ1 LYS 78 HZ1 LYS 78 17.251 24.392 7.415 643 HZ2 LYS 78 HZ2 LYS 78 16.880 24.086 9.037 644 HZ3 LYS 78 HZ3 LYS 78 15.695 23.884 7.847 645 H GLU 79 H GLU 79 17.130 18.658 3.688 646 HA GLU 79 HA GLU 79 14.228 18.457 3.579 647 HB2 GLU 79 HB2 GLU 79 16.346 19.610 1.826 648 HB3 GLU 79 HB3 GLU 79 14.830 19.124 1.079 649 HG2 GLU 79 HG2 GLU 79 13.794 20.528 3.045 650 HG3 GLU 79 HG3 GLU 79 15.377 21.303 3.022 651 H GLY 80 H GLY 80 16.867 16.449 3.086 652 HA2 GLY 80 HA2 GLY 80 17.000 14.289 2.305 653 HA3 GLY 80 HA3 GLY 80 15.255 14.325 2.097 654 H ASN 81 H ASN 81 16.864 16.863 0.516 655 HA ASN 81 HA ASN 81 16.227 15.700 -2.061 656 HB2 ASN 81 HB2 ASN 81 16.410 17.852 -2.941 657 HB3 ASN 81 HB3 ASN 81 15.844 18.158 -1.302 658 HD21 ASN 81 HD21 ASN 81 17.015 19.428 -0.018 659 HD22 ASN 81 HD22 ASN 81 18.587 20.041 -0.392 660 H TRP 82 H TRP 82 17.700 15.393 -3.755 661 HA TRP 82 HA TRP 82 20.125 14.210 -3.109 662 HB2 TRP 82 HB2 TRP 82 19.365 15.484 -5.747 663 HB3 TRP 82 HB3 TRP 82 20.633 14.286 -5.504 664 HD1 TRP 82 HD1 TRP 82 19.495 11.911 -4.205 665 HE1 TRP 82 HE1 TRP 82 17.436 10.619 -5.051 666 HE3 TRP 82 HE3 TRP 82 17.352 15.577 -7.051 667 HZ2 TRP 82 HZ2 TRP 82 15.199 11.092 -6.706 668 HZ3 TRP 82 HZ3 TRP 82 15.253 15.076 -8.234 669 HH2 TRP 82 HH2 TRP 82 14.201 12.879 -8.064 670 H THR 83 H THR 83 22.107 14.943 -2.677 671 HA THR 83 HA THR 83 22.901 17.616 -3.544 672 HB THR 83 HB THR 83 23.507 16.935 -0.703 673 HG1 THR 83 HG1 THR 83 21.489 18.087 -0.179 674 HG21 THR 83 HG21 THR 83 23.902 19.124 -2.420 675 HG22 THR 83 HG22 THR 83 24.248 19.036 -0.693 676 HG23 THR 83 HG23 THR 83 22.686 19.634 -1.250 677 H VAL 84 H VAL 84 24.668 17.152 -4.690 678 HA VAL 84 HA VAL 84 26.439 14.994 -3.919 679 HB VAL 84 HB VAL 84 27.729 15.664 -5.955 680 HG11 VAL 84 HG11 VAL 84 25.593 14.116 -5.793 681 HG12 VAL 84 HG12 VAL 84 24.905 15.365 -6.833 682 HG13 VAL 84 HG13 VAL 84 26.349 14.488 -7.342 683 HG21 VAL 84 HG21 VAL 84 27.414 17.647 -6.901 684 HG22 VAL 84 HG22 VAL 84 25.722 17.254 -7.206 685 HG23 VAL 84 HG23 VAL 84 26.190 18.023 -5.689 686 H VAL 85 H VAL 85 28.078 15.246 -2.565 687 HA VAL 85 HA VAL 85 29.671 17.682 -2.635 688 HB VAL 85 HB VAL 85 28.031 18.224 -0.934 689 HG11 VAL 85 HG11 VAL 85 27.098 16.633 0.301 690 HG12 VAL 85 HG12 VAL 85 28.268 15.453 -0.294 691 HG13 VAL 85 HG13 VAL 85 28.630 16.408 1.144 692 HG21 VAL 85 HG21 VAL 85 29.561 18.516 1.014 693 HG22 VAL 85 HG22 VAL 85 30.740 17.505 0.178 694 HG23 VAL 85 HG23 VAL 85 30.245 19.046 -0.523 695 HA PRO 86 HA PRO 86 32.837 14.624 -2.195 696 HB2 PRO 86 HB2 PRO 86 34.913 16.327 -1.789 697 HB3 PRO 86 HB3 PRO 86 34.173 16.074 -3.375 698 HG2 PRO 86 HG2 PRO 86 33.731 18.288 -1.409 699 HG3 PRO 86 HG3 PRO 86 33.918 18.376 -3.170 700 HD2 PRO 86 HD2 PRO 86 31.501 18.492 -1.955 701 HD3 PRO 86 HD3 PRO 86 31.729 17.768 -3.559 702 H ILE 87 H ILE 87 33.776 13.524 -0.546 703 HA ILE 87 HA ILE 87 33.122 14.260 2.136 704 HB ILE 87 HB ILE 87 34.992 12.063 1.249 705 HG12 ILE 87 HG12 ILE 87 32.794 11.898 0.123 706 HG13 ILE 87 HG13 ILE 87 33.060 10.581 1.259 707 HG21 ILE 87 HG21 ILE 87 35.279 12.191 3.522 708 HG22 ILE 87 HG22 ILE 87 33.640 12.775 3.805 709 HG23 ILE 87 HG23 ILE 87 33.916 11.075 3.429 710 HD11 ILE 87 HD11 ILE 87 30.918 12.445 1.146 711 HD12 ILE 87 HD12 ILE 87 31.135 11.066 2.223 712 HD13 ILE 87 HD13 ILE 87 31.771 12.647 2.676 713 H ASN 88 H ASN 88 34.560 14.679 3.860 714 HA ASN 88 HA ASN 88 36.582 16.529 3.324 715 HB2 ASN 88 HB2 ASN 88 35.313 15.461 5.618 716 HB3 ASN 88 HB3 ASN 88 37.047 15.272 5.865 717 HD21 ASN 88 HD21 ASN 88 38.248 17.007 6.359 718 HD22 ASN 88 HD22 ASN 88 37.640 18.620 6.478 719 H GLU 89 H GLU 89 38.812 16.013 4.702 720 HA GLU 89 HA GLU 89 40.432 14.601 2.979 721 HB2 GLU 89 HB2 GLU 89 40.712 15.874 5.536 722 HB3 GLU 89 HB3 GLU 89 41.601 14.357 5.544 723 HG2 GLU 89 HG2 GLU 89 42.965 16.290 4.855 724 HG3 GLU 89 HG3 GLU 89 42.879 15.024 3.631 725 H THR 90 H THR 90 41.800 12.647 3.617 726 HA THR 90 HA THR 90 40.251 10.361 3.637 727 HB THR 90 HB THR 90 42.485 10.130 2.902 728 HG1 THR 90 HG1 THR 90 41.529 8.436 4.434 729 HG21 THR 90 HG21 THR 90 43.085 11.698 5.278 730 HG22 THR 90 HG22 THR 90 44.004 11.518 3.784 731 HG23 THR 90 HG23 THR 90 44.181 10.332 5.077 732 H GLU 91 H GLU 91 41.362 12.279 6.314 733 HA GLU 91 HA GLU 91 41.226 10.484 8.415 734 HB2 GLU 91 HB2 GLU 91 40.695 12.448 9.839 735 HB3 GLU 91 HB3 GLU 91 42.047 12.726 8.750 736 HG2 GLU 91 HG2 GLU 91 40.424 13.852 7.196 737 HG3 GLU 91 HG3 GLU 91 39.237 13.756 8.496 738 H VAL 92 H VAL 92 38.615 12.313 6.879 739 HA VAL 92 HA VAL 92 36.607 11.258 8.654 740 HB VAL 92 HB VAL 92 36.337 12.821 6.083 741 HG11 VAL 92 HG11 VAL 92 34.297 11.853 8.062 742 HG12 VAL 92 HG12 VAL 92 34.003 13.254 7.030 743 HG13 VAL 92 HG13 VAL 92 34.305 11.673 6.308 744 HG21 VAL 92 HG21 VAL 92 35.595 14.599 7.793 745 HG22 VAL 92 HG22 VAL 92 36.417 13.587 8.980 746 HG23 VAL 92 HG23 VAL 92 37.318 14.265 7.625 747 H VAL 93 H VAL 93 37.452 10.813 5.227 748 HA VAL 93 HA VAL 93 35.504 9.009 4.488 749 HB VAL 93 HB VAL 93 37.682 10.039 3.242 750 HG11 VAL 93 HG11 VAL 93 38.240 7.086 3.478 751 HG12 VAL 93 HG12 VAL 93 39.172 8.280 2.571 752 HG13 VAL 93 HG13 VAL 93 39.134 8.342 4.334 753 HG21 VAL 93 HG21 VAL 93 36.927 8.910 1.294 754 HG22 VAL 93 HG22 VAL 93 36.251 7.585 2.241 755 HG23 VAL 93 HG23 VAL 93 35.506 9.182 2.302 756 H GLU 94 H GLU 94 38.406 8.464 6.374 757 HA GLU 94 HA GLU 94 38.479 5.659 6.246 758 HB2 GLU 94 HB2 GLU 94 39.475 7.651 8.268 759 HB3 GLU 94 HB3 GLU 94 39.659 5.922 8.526 760 HG2 GLU 94 HG2 GLU 94 40.580 7.070 5.947 761 HG3 GLU 94 HG3 GLU 94 41.546 7.357 7.393 762 H ARG 95 H ARG 95 36.661 7.870 8.282 763 HA ARG 95 HA ARG 95 35.719 5.921 10.119 764 HB2 ARG 95 HB2 ARG 95 35.661 8.211 10.787 765 HB3 ARG 95 HB3 ARG 95 34.725 8.669 9.371 766 HG2 ARG 95 HG2 ARG 95 33.380 8.624 11.422 767 HG3 ARG 95 HG3 ARG 95 32.799 7.482 10.209 768 HD2 ARG 95 HD2 ARG 95 33.198 5.715 11.524 769 HD3 ARG 95 HD3 ARG 95 34.771 6.335 12.025 770 HE ARG 95 HE ARG 95 32.337 6.502 13.479 771 HH11 ARG 95 HH11 ARG 95 35.283 8.228 12.797 772 HH12 ARG 95 HH12 ARG 95 35.272 9.100 14.293 773 HH21 ARG 95 HH21 ARG 95 32.312 7.645 15.453 774 HH22 ARG 95 HH22 ARG 95 33.582 8.768 15.804 775 H LEU 96 H LEU 96 34.468 7.229 7.091 776 HA LEU 96 HA LEU 96 31.946 5.919 7.239 777 HB2 LEU 96 HB2 LEU 96 33.490 7.339 5.123 778 HB3 LEU 96 HB3 LEU 96 32.110 6.350 4.649 779 HG LEU 96 HG LEU 96 31.586 8.763 4.893 780 HD11 LEU 96 HD11 LEU 96 29.612 8.374 6.466 781 HD12 LEU 96 HD12 LEU 96 30.220 6.726 6.621 782 HD13 LEU 96 HD13 LEU 96 29.736 7.342 5.041 783 HD21 LEU 96 HD21 LEU 96 33.124 9.206 6.773 784 HD22 LEU 96 HD22 LEU 96 32.066 8.270 7.830 785 HD23 LEU 96 HD23 LEU 96 31.480 9.761 7.089 786 H GLU 97 H GLU 97 35.085 5.073 5.913 787 HA GLU 97 HA GLU 97 34.374 2.900 4.327 788 HB2 GLU 97 HB2 GLU 97 36.845 3.682 5.809 789 HB3 GLU 97 HB3 GLU 97 36.751 2.063 5.131 790 HG2 GLU 97 HG2 GLU 97 36.764 2.814 2.969 791 HG3 GLU 97 HG3 GLU 97 36.091 4.386 3.395 792 H TYR 98 H TYR 98 34.866 3.118 7.804 793 HA TYR 98 HA TYR 98 34.793 0.331 8.321 794 HB2 TYR 98 HB2 TYR 98 35.736 1.623 10.035 795 HB3 TYR 98 HB3 TYR 98 34.413 2.784 10.017 796 HD1 TYR 98 HD1 TYR 98 34.853 -0.894 10.566 797 HD2 TYR 98 HD2 TYR 98 33.006 2.723 11.835 798 HE1 TYR 98 HE1 TYR 98 33.779 -2.101 12.420 799 HE2 TYR 98 HE2 TYR 98 31.927 1.527 13.693 800 HH TYR 98 HH TYR 98 32.809 -1.650 14.594 801 H THR 99 H THR 99 32.318 2.872 8.629 802 HA THR 99 HA THR 99 30.224 1.166 9.419 803 HB THR 99 HB THR 99 28.729 2.973 8.995 804 HG1 THR 99 HG1 THR 99 29.740 4.871 7.804 805 HG21 THR 99 HG21 THR 99 30.453 3.275 10.811 806 HG22 THR 99 HG22 THR 99 29.736 4.766 10.199 807 HG23 THR 99 HG23 THR 99 31.353 4.288 9.683 808 H LEU 100 H LEU 100 31.607 1.863 6.321 809 HA LEU 100 HA LEU 100 29.454 1.162 4.660 810 HB2 LEU 100 HB2 LEU 100 31.290 2.281 3.687 811 HB3 LEU 100 HB3 LEU 100 32.433 1.079 4.283 812 HG LEU 100 HG LEU 100 31.827 1.121 1.769 813 HD11 LEU 100 HD11 LEU 100 32.751 -0.911 1.702 814 HD12 LEU 100 HD12 LEU 100 31.459 -1.633 2.660 815 HD13 LEU 100 HD13 LEU 100 32.793 -0.803 3.462 816 HD21 LEU 100 HD21 LEU 100 29.290 0.969 2.622 817 HD22 LEU 100 HD22 LEU 100 29.642 -0.750 2.442 818 HD23 LEU 100 HD23 LEU 100 29.826 0.337 1.065 819 H ARG 101 H ARG 101 32.232 -0.808 5.721 820 HA ARG 101 HA ARG 101 31.188 -3.219 4.624 821 HB2 ARG 101 HB2 ARG 101 33.626 -2.692 5.135 822 HB3 ARG 101 HB3 ARG 101 33.243 -3.014 6.821 823 HG2 ARG 101 HG2 ARG 101 34.253 -4.946 5.706 824 HG3 ARG 101 HG3 ARG 101 32.620 -5.287 6.281 825 HD2 ARG 101 HD2 ARG 101 33.187 -6.127 3.964 826 HD3 ARG 101 HD3 ARG 101 31.722 -5.157 4.102 827 HE ARG 101 HE ARG 101 33.984 -3.562 3.434 828 HH11 ARG 101 HH11 ARG 101 31.631 -5.762 2.114 829 HH12 ARG 101 HH12 ARG 101 31.729 -5.111 0.511 830 HH21 ARG 101 HH21 ARG 101 34.122 -2.696 1.328 831 HH22 ARG 101 HH22 ARG 101 33.147 -3.367 0.065 832 H GLU 102 H GLU 102 31.229 -1.807 7.869 833 HA GLU 102 HA GLU 102 30.174 -3.956 9.290 834 HB2 GLU 102 HB2 GLU 102 30.691 -1.184 9.763 835 HB3 GLU 102 HB3 GLU 102 29.089 -1.568 10.378 836 HG2 GLU 102 HG2 GLU 102 31.553 -3.148 11.060 837 HG3 GLU 102 HG3 GLU 102 30.950 -1.803 12.026 838 H PHE 103 H PHE 103 28.628 -1.658 7.183 839 HA PHE 103 HA PHE 103 25.958 -2.113 8.031 840 HB2 PHE 103 HB2 PHE 103 26.849 -0.159 6.639 841 HB3 PHE 103 HB3 PHE 103 26.773 -1.251 5.260 842 HD1 PHE 103 HD1 PHE 103 24.798 0.547 7.781 843 HD2 PHE 103 HD2 PHE 103 24.690 -1.846 4.263 844 HE1 PHE 103 HE1 PHE 103 22.421 1.108 7.477 845 HE2 PHE 103 HE2 PHE 103 22.314 -1.289 3.952 846 HZ PHE 103 HZ PHE 103 21.177 0.190 5.560 847 H HIS 104 H HIS 104 28.006 -3.558 5.546 848 HA HIS 104 HA HIS 104 25.967 -5.184 4.410 849 HB2 HIS 104 HB2 HIS 104 27.869 -4.717 3.056 850 HB3 HIS 104 HB3 HIS 104 28.980 -5.295 4.294 851 HD1 HIS 104 HD1 HIS 104 29.334 -7.839 4.474 852 HD2 HIS 104 HD2 HIS 104 26.666 -6.716 1.494 853 HE1 HIS 104 HE1 HIS 104 28.985 -9.898 3.073 854 H GLU 105 H GLU 105 28.238 -5.584 7.043 855 HA GLU 105 HA GLU 105 28.091 -8.359 7.364 856 HB2 GLU 105 HB2 GLU 105 29.024 -6.084 8.911 857 HB3 GLU 105 HB3 GLU 105 28.318 -7.322 9.940 858 HG2 GLU 105 HG2 GLU 105 29.862 -8.846 8.343 859 HG3 GLU 105 HG3 GLU 105 30.800 -7.354 8.368 860 H LYS 106 H LYS 106 26.141 -5.785 8.850 861 HA LYS 106 HA LYS 106 24.444 -7.609 10.252 862 HB2 LYS 106 HB2 LYS 106 23.342 -5.737 11.073 863 HB3 LYS 106 HB3 LYS 106 24.957 -5.112 10.762 864 HG2 LYS 106 HG2 LYS 106 23.913 -4.495 8.430 865 HG3 LYS 106 HG3 LYS 106 22.403 -4.569 9.342 866 HD2 LYS 106 HD2 LYS 106 24.810 -2.889 10.049 867 HD3 LYS 106 HD3 LYS 106 23.327 -2.298 9.296 868 HE2 LYS 106 HE2 LYS 106 22.046 -2.914 11.250 869 HE3 LYS 106 HE3 LYS 106 23.468 -3.645 11.990 870 HZ1 LYS 106 HZ1 LYS 106 22.685 -1.179 12.516 871 HZ2 LYS 106 HZ2 LYS 106 23.698 -0.851 11.202 872 HZ3 LYS 106 HZ3 LYS 106 24.311 -1.646 12.564 873 H LEU 107 H LEU 107 24.369 -6.038 7.131 874 HA LEU 107 HA LEU 107 21.671 -6.359 6.489 875 HB2 LEU 107 HB2 LEU 107 23.857 -5.343 5.230 876 HB3 LEU 107 HB3 LEU 107 23.566 -6.806 4.290 877 HG LEU 107 HG LEU 107 22.499 -4.921 3.229 878 HD11 LEU 107 HD11 LEU 107 21.372 -7.078 3.090 879 HD12 LEU 107 HD12 LEU 107 20.209 -5.753 3.110 880 HD13 LEU 107 HD13 LEU 107 20.476 -6.713 4.565 881 HD21 LEU 107 HD21 LEU 107 20.429 -4.384 5.156 882 HD22 LEU 107 HD22 LEU 107 21.526 -3.266 4.346 883 HD23 LEU 107 HD23 LEU 107 22.022 -4.059 5.842 884 H ARG 108 H ARG 108 24.359 -8.616 6.335 885 HA ARG 108 HA ARG 108 23.120 -10.626 4.812 886 HB2 ARG 108 HB2 ARG 108 25.356 -10.623 6.816 887 HB3 ARG 108 HB3 ARG 108 24.771 -12.134 6.132 888 HG2 ARG 108 HG2 ARG 108 25.532 -9.894 4.316 889 HG3 ARG 108 HG3 ARG 108 26.785 -10.898 5.050 890 HD2 ARG 108 HD2 ARG 108 25.982 -12.846 4.008 891 HD3 ARG 108 HD3 ARG 108 24.443 -12.091 3.598 892 HE ARG 108 HE ARG 108 26.327 -10.616 2.269 893 HH11 ARG 108 HH11 ARG 108 25.414 -13.974 2.363 894 HH12 ARG 108 HH12 ARG 108 25.882 -14.282 0.724 895 HH21 ARG 108 HH21 ARG 108 26.947 -11.009 0.110 896 HH22 ARG 108 HH22 ARG 108 26.755 -12.595 -0.557 897 H ASP 109 H ASP 109 23.285 -10.134 8.325 898 HA ASP 109 HA ASP 109 21.945 -12.437 9.127 899 HB2 ASP 109 HB2 ASP 109 23.124 -10.543 10.508 900 HB3 ASP 109 HB3 ASP 109 21.505 -9.851 10.574 901 H LEU 110 H LEU 110 20.634 -9.241 8.309 902 HA LEU 110 HA LEU 110 17.952 -9.764 8.878 903 HB2 LEU 110 HB2 LEU 110 18.689 -7.526 8.487 904 HB3 LEU 110 HB3 LEU 110 19.226 -7.931 6.858 905 HG LEU 110 HG LEU 110 16.691 -8.463 6.475 906 HD11 LEU 110 HD11 LEU 110 16.131 -6.255 8.322 907 HD12 LEU 110 HD12 LEU 110 16.507 -7.794 9.097 908 HD13 LEU 110 HD13 LEU 110 15.180 -7.690 7.940 909 HD21 LEU 110 HD21 LEU 110 17.024 -5.560 6.658 910 HD22 LEU 110 HD22 LEU 110 16.689 -6.580 5.259 911 HD23 LEU 110 HD23 LEU 110 18.345 -6.391 5.837 912 H LEU 111 H LEU 111 19.680 -10.031 5.775 913 HA LEU 111 HA LEU 111 17.510 -11.007 4.286 914 HB2 LEU 111 HB2 LEU 111 20.434 -10.860 3.966 915 HB3 LEU 111 HB3 LEU 111 19.631 -12.114 3.024 916 HG LEU 111 HG LEU 111 18.328 -10.503 1.845 917 HD11 LEU 111 HD11 LEU 111 17.696 -8.939 3.470 918 HD12 LEU 111 HD12 LEU 111 18.712 -8.035 2.349 919 HD13 LEU 111 HD13 LEU 111 19.368 -8.572 3.895 920 HD21 LEU 111 HD21 LEU 111 20.020 -10.007 0.494 921 HD22 LEU 111 HD22 LEU 111 21.114 -10.599 1.745 922 HD23 LEU 111 HD23 LEU 111 20.707 -8.884 1.668 923 H ILE 112 H ILE 112 19.812 -12.601 6.380 924 HA ILE 112 HA ILE 112 19.274 -15.259 5.547 925 HB ILE 112 HB ILE 112 20.436 -14.142 8.092 926 HG12 ILE 112 HG12 ILE 112 21.860 -15.884 6.116 927 HG13 ILE 112 HG13 ILE 112 21.613 -14.183 5.739 928 HG21 ILE 112 HG21 ILE 112 19.982 -17.014 7.314 929 HG22 ILE 112 HG22 ILE 112 21.118 -16.512 8.565 930 HG23 ILE 112 HG23 ILE 112 19.396 -16.177 8.751 931 HD11 ILE 112 HD11 ILE 112 22.849 -13.513 7.669 932 HD12 ILE 112 HD12 ILE 112 22.953 -15.180 8.238 933 HD13 ILE 112 HD13 ILE 112 23.805 -14.693 6.773 934 H SER 113 H SER 113 17.736 -13.071 7.785 935 HA SER 113 HA SER 113 16.188 -15.051 9.143 936 HB2 SER 113 HB2 SER 113 16.569 -12.994 10.296 937 HB3 SER 113 HB3 SER 113 15.953 -12.045 8.944 938 HG SER 113 HG SER 113 14.596 -13.328 10.961 939 H MET 114 H MET 114 15.869 -13.316 6.174 940 HA MET 114 HA MET 114 13.069 -14.164 5.909 941 HB2 MET 114 HB2 MET 114 13.149 -12.636 3.861 942 HB3 MET 114 HB3 MET 114 13.224 -11.863 5.439 943 HG2 MET 114 HG2 MET 114 15.565 -11.499 5.238 944 HG3 MET 114 HG3 MET 114 15.653 -12.499 3.790 945 HE1 MET 114 HE1 MET 114 13.572 -8.558 4.362 946 HE2 MET 114 HE2 MET 114 14.393 -9.575 5.546 947 HE3 MET 114 HE3 MET 114 15.315 -8.413 4.592 948 H GLU 115 H GLU 115 16.075 -15.272 5.213 949 HA GLU 115 HA GLU 115 16.883 -16.904 3.849 950 HB2 GLU 115 HB2 GLU 115 14.048 -17.354 2.925 951 HB3 GLU 115 HB3 GLU 115 15.375 -18.507 2.932 952 HG2 GLU 115 HG2 GLU 115 15.374 -18.387 5.419 953 HG3 GLU 115 HG3 GLU 115 13.924 -17.391 5.318 954 H LEU 116 H LEU 116 16.734 -14.201 2.910 955 HA LEU 116 HA LEU 116 16.230 -14.536 0.038 956 HB2 LEU 116 HB2 LEU 116 16.217 -12.243 1.903 957 HB3 LEU 116 HB3 LEU 116 16.809 -11.925 0.274 958 HG LEU 116 HG LEU 116 14.398 -11.401 0.624 959 HD11 LEU 116 HD11 LEU 116 13.941 -11.880 -1.530 960 HD12 LEU 116 HD12 LEU 116 14.367 -13.582 -1.357 961 HD13 LEU 116 HD13 LEU 116 15.634 -12.372 -1.557 962 HD21 LEU 116 HD21 LEU 116 13.933 -13.295 2.152 963 HD22 LEU 116 HD22 LEU 116 14.081 -14.396 0.782 964 HD23 LEU 116 HD23 LEU 116 12.796 -13.188 0.808 965 H ALA 117 H ALA 117 17.891 -14.896 -1.264 966 HA ALA 117 HA ALA 117 20.581 -14.861 -0.351 967 HB1 ALA 117 HB1 ALA 117 20.711 -16.296 -2.040 968 HB2 ALA 117 HB2 ALA 117 19.152 -15.768 -2.673 969 HB3 ALA 117 HB3 ALA 117 20.627 -14.926 -3.148 970 H LEU 118 H LEU 118 22.343 -13.638 -1.338 971 HA LEU 118 HA LEU 118 21.522 -10.972 -2.276 972 HB2 LEU 118 HB2 LEU 118 22.231 -11.072 0.155 973 HB3 LEU 118 HB3 LEU 118 23.847 -11.458 -0.433 974 HG LEU 118 HG LEU 118 23.860 -9.284 -1.644 975 HD11 LEU 118 HD11 LEU 118 21.747 -8.100 -0.050 976 HD12 LEU 118 HD12 LEU 118 21.141 -9.320 -1.170 977 HD13 LEU 118 HD13 LEU 118 22.080 -7.956 -1.776 978 HD21 LEU 118 HD21 LEU 118 23.572 -9.409 1.337 979 HD22 LEU 118 HD22 LEU 118 23.939 -7.893 0.514 980 HD23 LEU 118 HD23 LEU 118 25.038 -9.265 0.367 981 H GLU 119 H GLU 119 22.736 -10.076 -3.884 982 HA GLU 119 HA GLU 119 25.234 -11.358 -4.674 983 HB2 GLU 119 HB2 GLU 119 22.708 -11.400 -6.248 984 HB3 GLU 119 HB3 GLU 119 24.208 -11.136 -7.126 985 HG2 GLU 119 HG2 GLU 119 25.034 -13.226 -5.834 986 HG3 GLU 119 HG3 GLU 119 23.316 -13.531 -5.587 987 HA PRO 120 HA PRO 120 26.527 -7.302 -5.725 988 HB2 PRO 120 HB2 PRO 120 28.087 -7.729 -7.905 989 HB3 PRO 120 HB3 PRO 120 28.572 -8.196 -6.271 990 HG2 PRO 120 HG2 PRO 120 27.400 -9.878 -8.453 991 HG3 PRO 120 HG3 PRO 120 28.733 -10.252 -7.345 992 HD2 PRO 120 HD2 PRO 120 26.222 -11.194 -6.973 993 HD3 PRO 120 HD3 PRO 120 27.310 -10.816 -5.622 994 H SER 121 H SER 121 26.641 -5.682 -7.536 995 HA SER 121 HA SER 121 24.240 -5.948 -9.197 996 HB2 SER 121 HB2 SER 121 25.817 -3.558 -8.242 997 HB3 SER 121 HB3 SER 121 24.581 -3.430 -9.494 998 HG SER 121 HG SER 121 23.111 -4.366 -7.953 999 H ASP 122 H ASP 122 24.257 -5.495 -11.407 1000 HA ASP 122 HA ASP 122 26.587 -6.310 -12.802 1001 HB2 ASP 122 HB2 ASP 122 24.550 -6.842 -13.851 1002 HB3 ASP 122 HB3 ASP 122 23.925 -5.206 -13.664 1003 H ASP 123 H ASP 123 25.409 -3.249 -11.757 1004 HA ASP 123 HA ASP 123 27.191 -1.796 -13.564 1005 HB2 ASP 123 HB2 ASP 123 25.333 -0.623 -11.492 1006 HB3 ASP 123 HB3 ASP 123 26.067 0.197 -12.867 1007 H PHE 124 H PHE 124 28.144 -3.515 -11.342 1008 HA PHE 124 HA PHE 124 29.266 -1.602 -9.455 1009 HB2 PHE 124 HB2 PHE 124 28.364 -3.952 -8.862 1010 HB3 PHE 124 HB3 PHE 124 29.886 -4.544 -9.520 1011 HD1 PHE 124 HD2 PHE 124 28.863 -1.740 -7.274 1012 HD2 PHE 124 HD1 PHE 124 31.415 -5.086 -7.911 1013 HE1 PHE 124 HE2 PHE 124 29.957 -1.313 -5.112 1014 HE2 PHE 124 HE1 PHE 124 32.512 -4.665 -5.749 1015 HZ PHE 124 HZ PHE 124 31.783 -2.777 -4.346 1016 H ASN 125 H ASN 125 31.159 -0.655 -9.775 1017 HA ASN 125 HA ASN 125 32.832 -1.343 -11.981 1018 HB2 ASN 125 HB2 ASN 125 32.428 0.956 -10.669 1019 HB3 ASN 125 HB3 ASN 125 33.871 0.415 -9.817 1020 HD21 ASN 125 HD21 ASN 125 32.548 1.186 -12.974 1021 HD22 ASN 125 HD22 ASN 125 34.059 1.563 -13.721 1022 H ASP 126 H ASP 126 35.372 -1.233 -11.319 1023 HA ASP 126 HA ASP 126 35.756 -3.523 -9.509 1024 HB2 ASP 126 HB2 ASP 126 37.845 -3.945 -10.796 1025 HB3 ASP 126 HB3 ASP 126 36.391 -4.053 -11.784 1026 H GLU 127 H GLU 127 35.653 -0.627 -8.823 1027 HA GLU 127 HA GLU 127 38.256 -0.503 -7.467 1028 HB2 GLU 127 HB2 GLU 127 37.899 1.082 -9.538 1029 HB3 GLU 127 HB3 GLU 127 36.962 2.029 -8.392 1030 HG2 GLU 127 HG2 GLU 127 38.896 2.202 -6.929 1031 HG3 GLU 127 HG3 GLU 127 39.840 1.218 -8.046 1032 HA PRO 128 HA PRO 128 34.649 -0.030 -4.555 1033 HB2 PRO 128 HB2 PRO 128 35.528 -1.881 -2.775 1034 HB3 PRO 128 HB3 PRO 128 34.530 -2.292 -4.175 1035 HG2 PRO 128 HG2 PRO 128 37.495 -2.522 -3.828 1036 HG3 PRO 128 HG3 PRO 128 36.362 -3.671 -4.564 1037 HD2 PRO 128 HD2 PRO 128 37.916 -2.013 -6.036 1038 HD3 PRO 128 HD3 PRO 128 36.299 -2.524 -6.562 1039 H VAL 129 H VAL 129 34.679 0.816 -2.404 1040 HA VAL 129 HA VAL 129 36.642 2.699 -1.876 1041 HB VAL 129 HB VAL 129 35.724 2.674 0.499 1042 HG11 VAL 129 HG11 VAL 129 33.940 3.977 -0.128 1043 HG12 VAL 129 HG12 VAL 129 34.869 3.950 -1.628 1044 HG13 VAL 129 HG13 VAL 129 33.469 2.894 -1.437 1045 HG21 VAL 129 HG21 VAL 129 34.366 1.053 1.198 1046 HG22 VAL 129 HG22 VAL 129 33.366 1.170 -0.250 1047 HG23 VAL 129 HG23 VAL 129 34.814 0.163 -0.257 1048 H LYS 130 H LYS 130 38.451 2.781 -0.607 1049 HA LYS 130 HA LYS 130 39.833 0.319 -0.156 1050 HB2 LYS 130 HB2 LYS 130 40.499 3.191 0.483 1051 HB3 LYS 130 HB3 LYS 130 41.575 1.855 0.871 1052 HG2 LYS 130 HG2 LYS 130 41.285 1.288 -1.670 1053 HG3 LYS 130 HG3 LYS 130 40.839 2.992 -1.779 1054 HD2 LYS 130 HD2 LYS 130 43.329 2.166 -0.335 1055 HD3 LYS 130 HD3 LYS 130 43.321 2.305 -2.094 1056 HE2 LYS 130 HE2 LYS 130 43.886 4.444 -1.652 1057 HE3 LYS 130 HE3 LYS 130 42.147 4.634 -1.437 1058 HZ1 LYS 130 HZ1 LYS 130 42.380 4.972 0.745 1059 HZ2 LYS 130 HZ2 LYS 130 44.005 5.288 0.397 1060 HZ3 LYS 130 HZ3 LYS 130 43.537 3.752 0.929 1061 H LEU 131 H LEU 131 38.878 -0.915 1.403 1062 HA LEU 131 HA LEU 131 37.957 0.155 3.887 1063 HB2 LEU 131 HB2 LEU 131 38.280 -2.570 2.724 1064 HB3 LEU 131 HB3 LEU 131 38.043 -2.409 4.463 1065 HG LEU 131 HG LEU 131 35.962 -2.891 3.200 1066 HD11 LEU 131 HD11 LEU 131 34.639 -1.017 4.232 1067 HD12 LEU 131 HD12 LEU 131 36.176 -0.297 4.709 1068 HD13 LEU 131 HD13 LEU 131 35.715 -1.882 5.330 1069 HD21 LEU 131 HD21 LEU 131 36.407 -1.696 1.157 1070 HD22 LEU 131 HD22 LEU 131 36.482 -0.162 2.025 1071 HD23 LEU 131 HD23 LEU 131 34.954 -1.035 1.907 1072 H SER 132 H SER 132 40.896 -1.422 2.781 1073 HA SER 132 HA SER 132 42.017 -1.253 5.489 1074 HB2 SER 132 HB2 SER 132 42.168 -3.436 4.302 1075 HB3 SER 132 HB3 SER 132 43.144 -2.660 3.055 1076 HG SER 132 HG SER 132 44.812 -2.757 4.329 1077 H ALA 133 H ALA 133 41.953 1.171 4.931 1078 HA ALA 133 HA ALA 133 44.340 1.958 3.408 1079 HB1 ALA 133 HB1 ALA 133 42.585 3.180 2.539 1080 HB2 ALA 133 HB2 ALA 133 41.801 3.369 4.107 1081 HB3 ALA 133 HB3 ALA 133 43.252 4.297 3.730 Start of MODEL 9 1 H MET 1 H MET 1 0.200 -0.548 -2.253 2 HA MET 1 HA MET 1 1.145 -0.208 0.440 3 HB2 MET 1 HB2 MET 1 -0.734 -2.292 -0.685 4 HB3 MET 1 HB3 MET 1 -0.499 -1.919 1.017 5 HG2 MET 1 HG2 MET 1 -1.360 0.238 -0.849 6 HG3 MET 1 HG3 MET 1 -2.534 -0.951 -0.288 7 HE1 MET 1 HE1 MET 1 -2.597 -0.719 3.385 8 HE2 MET 1 HE2 MET 1 -3.917 -0.151 2.363 9 HE3 MET 1 HE3 MET 1 -2.976 -1.565 1.884 10 H THR 2 H THR 2 1.819 -2.334 -2.207 11 HA THR 2 HA THR 2 3.784 -3.737 -0.537 12 HB THR 2 HB THR 2 3.273 -5.877 -1.608 13 HG1 THR 2 HG1 THR 2 1.526 -6.065 -3.000 14 HG21 THR 2 HG21 THR 2 1.332 -6.407 -0.375 15 HG22 THR 2 HG22 THR 2 0.692 -4.770 -0.526 16 HG23 THR 2 HG23 THR 2 2.088 -5.079 0.505 17 H LEU 3 H LEU 3 5.507 -4.761 -1.779 18 HA LEU 3 HA LEU 3 6.467 -3.057 -3.841 19 HB2 LEU 3 HB2 LEU 3 7.588 -5.777 -3.293 20 HB3 LEU 3 HB3 LEU 3 8.429 -4.307 -3.782 21 HG LEU 3 HG LEU 3 7.300 -4.912 -1.050 22 HD11 LEU 3 HD11 LEU 3 9.257 -5.998 -0.892 23 HD12 LEU 3 HD12 LEU 3 9.940 -4.380 -0.742 24 HD13 LEU 3 HD13 LEU 3 9.937 -5.194 -2.306 25 HD21 LEU 3 HD21 LEU 3 8.697 -2.451 -2.092 26 HD22 LEU 3 HD22 LEU 3 8.356 -2.780 -0.393 27 HD23 LEU 3 HD23 LEU 3 7.028 -2.560 -1.534 28 HA PRO 4 HA PRO 4 4.929 -4.957 -7.487 29 HB2 PRO 4 HB2 PRO 4 6.990 -4.540 -9.204 30 HB3 PRO 4 HB3 PRO 4 5.921 -3.244 -8.654 31 HG2 PRO 4 HG2 PRO 4 8.653 -3.988 -7.681 32 HG3 PRO 4 HG3 PRO 4 7.977 -2.379 -7.997 33 HD2 PRO 4 HD2 PRO 4 8.166 -3.414 -5.502 34 HD3 PRO 4 HD3 PRO 4 6.859 -2.314 -5.983 35 H SER 5 H SER 5 7.996 -5.990 -6.184 36 HA SER 5 HA SER 5 8.377 -8.218 -7.917 37 HB2 SER 5 HB2 SER 5 9.877 -8.955 -5.880 38 HB3 SER 5 HB3 SER 5 10.357 -7.591 -6.890 39 HG SER 5 HG SER 5 9.751 -6.201 -5.329 40 H GLY 6 H GLY 6 6.297 -7.632 -5.289 41 HA2 GLY 6 HA2 GLY 6 4.483 -9.207 -4.938 42 HA3 GLY 6 HA3 GLY 6 5.639 -10.507 -5.188 43 H HIS 7 H HIS 7 7.392 -8.477 -3.447 44 HA HIS 7 HA HIS 7 6.876 -9.908 -0.984 45 HB2 HIS 7 HB2 HIS 7 9.114 -8.549 -2.176 46 HB3 HIS 7 HB3 HIS 7 8.841 -7.928 -0.551 47 HD1 HIS 7 HD1 HIS 7 8.492 -11.504 -1.785 48 HD2 HIS 7 HD2 HIS 7 10.713 -9.248 0.904 49 HE1 HIS 7 HE1 HIS 7 9.894 -13.161 -0.515 50 HA PRO 8 HA PRO 8 4.505 -6.838 1.070 51 HB2 PRO 8 HB2 PRO 8 5.325 -7.182 3.635 52 HB3 PRO 8 HB3 PRO 8 4.285 -8.339 2.796 53 HG2 PRO 8 HG2 PRO 8 7.241 -8.438 3.260 54 HG3 PRO 8 HG3 PRO 8 6.042 -9.738 3.400 55 HD2 PRO 8 HD2 PRO 8 7.647 -9.464 1.237 56 HD3 PRO 8 HD3 PRO 8 5.999 -10.115 1.127 57 H LYS 9 H LYS 9 4.791 -4.709 1.009 58 HA LYS 9 HA LYS 9 7.361 -3.493 1.188 59 HB2 LYS 9 HB2 LYS 9 5.473 -2.630 -0.203 60 HB3 LYS 9 HB3 LYS 9 4.652 -2.155 1.278 61 HG2 LYS 9 HG2 LYS 9 6.878 -0.854 1.732 62 HG3 LYS 9 HG3 LYS 9 7.060 -0.980 -0.019 63 HD2 LYS 9 HD2 LYS 9 4.526 0.028 1.241 64 HD3 LYS 9 HD3 LYS 9 5.889 1.100 0.911 65 HE2 LYS 9 HE2 LYS 9 5.743 0.740 -1.410 66 HE3 LYS 9 HE3 LYS 9 4.704 -0.670 -1.208 67 HZ1 LYS 9 HZ1 LYS 9 3.319 1.357 -0.022 68 HZ2 LYS 9 HZ2 LYS 9 3.024 0.720 -1.561 69 HZ3 LYS 9 HZ3 LYS 9 3.996 2.093 -1.387 70 H SER 10 H SER 10 4.465 -3.272 3.258 71 HA SER 10 HA SER 10 5.529 -1.683 5.262 72 HB2 SER 10 HB2 SER 10 3.457 -3.879 5.435 73 HB3 SER 10 HB3 SER 10 3.809 -2.759 6.750 74 HG SER 10 HG SER 10 2.100 -1.941 5.575 75 H ARG 11 H ARG 11 5.635 -5.205 4.914 76 HA ARG 11 HA ARG 11 6.863 -5.777 7.374 77 HB2 ARG 11 HB2 ARG 11 5.796 -7.345 5.561 78 HB3 ARG 11 HB3 ARG 11 7.437 -7.410 4.931 79 HG2 ARG 11 HG2 ARG 11 7.366 -9.250 6.311 80 HG3 ARG 11 HG3 ARG 11 8.081 -8.027 7.363 81 HD2 ARG 11 HD2 ARG 11 5.589 -7.574 8.022 82 HD3 ARG 11 HD3 ARG 11 5.340 -9.207 7.407 83 HE ARG 11 HE ARG 11 7.511 -9.051 9.262 84 HH11 ARG 11 HH11 ARG 11 4.049 -9.285 8.980 85 HH12 ARG 11 HH12 ARG 11 3.843 -10.040 10.526 86 HH21 ARG 11 HH21 ARG 11 7.253 -10.045 11.298 87 HH22 ARG 11 HH22 ARG 11 5.667 -10.471 11.844 88 H LEU 12 H LEU 12 8.265 -5.224 4.155 89 HA LEU 12 HA LEU 12 10.943 -5.631 4.837 90 HB2 LEU 12 HB2 LEU 12 9.465 -4.355 2.649 91 HB3 LEU 12 HB3 LEU 12 11.089 -3.719 2.902 92 HG LEU 12 HG LEU 12 11.121 -5.433 1.199 93 HD11 LEU 12 HD11 LEU 12 13.129 -5.991 1.947 94 HD12 LEU 12 HD12 LEU 12 12.407 -7.129 3.084 95 HD13 LEU 12 HD13 LEU 12 12.675 -5.454 3.565 96 HD21 LEU 12 HD21 LEU 12 9.490 -6.968 1.395 97 HD22 LEU 12 HD22 LEU 12 9.457 -6.863 3.156 98 HD23 LEU 12 HD23 LEU 12 10.684 -7.845 2.353 99 H ILE 13 H ILE 13 8.982 -2.680 4.905 100 HA ILE 13 HA ILE 13 11.004 -0.881 5.605 101 HB ILE 13 HB ILE 13 8.062 -0.816 6.277 102 HG12 ILE 13 HG12 ILE 13 8.654 -0.799 3.862 103 HG13 ILE 13 HG13 ILE 13 7.882 0.693 4.386 104 HG21 ILE 13 HG21 ILE 13 10.207 1.261 6.631 105 HG22 ILE 13 HG22 ILE 13 8.492 1.661 6.556 106 HG23 ILE 13 HG23 ILE 13 9.097 0.618 7.842 107 HD11 ILE 13 HD11 ILE 13 10.034 1.803 4.462 108 HD12 ILE 13 HD12 ILE 13 10.839 0.304 3.999 109 HD13 ILE 13 HD13 ILE 13 9.747 1.103 2.869 110 H LYS 14 H LYS 14 8.774 -2.720 7.677 111 HA LYS 14 HA LYS 14 9.831 -1.750 10.122 112 HB2 LYS 14 HB2 LYS 14 8.254 -4.257 9.515 113 HB3 LYS 14 HB3 LYS 14 8.603 -3.667 11.135 114 HG2 LYS 14 HG2 LYS 14 7.336 -1.723 9.327 115 HG3 LYS 14 HG3 LYS 14 6.346 -3.113 9.776 116 HD2 LYS 14 HD2 LYS 14 5.840 -1.868 11.582 117 HD3 LYS 14 HD3 LYS 14 7.402 -2.432 12.180 118 HE2 LYS 14 HE2 LYS 14 7.206 -0.024 12.441 119 HE3 LYS 14 HE3 LYS 14 8.467 -0.419 11.274 120 HZ1 LYS 14 HZ1 LYS 14 7.371 0.605 9.641 121 HZ2 LYS 14 HZ2 LYS 14 6.465 1.344 10.863 122 HZ3 LYS 14 HZ3 LYS 14 5.872 -0.040 10.090 123 H LYS 15 H LYS 15 10.614 -4.471 8.054 124 HA LYS 15 HA LYS 15 12.281 -5.837 9.896 125 HB2 LYS 15 HB2 LYS 15 11.899 -5.923 6.926 126 HB3 LYS 15 HB3 LYS 15 13.257 -6.775 7.651 127 HG2 LYS 15 HG2 LYS 15 11.552 -7.894 9.164 128 HG3 LYS 15 HG3 LYS 15 10.323 -7.243 8.076 129 HD2 LYS 15 HD2 LYS 15 10.666 -9.298 7.122 130 HD3 LYS 15 HD3 LYS 15 11.852 -8.340 6.233 131 HE2 LYS 15 HE2 LYS 15 13.364 -9.844 6.883 132 HE3 LYS 15 HE3 LYS 15 13.221 -9.145 8.495 133 HZ1 LYS 15 HZ1 LYS 15 12.334 -11.018 9.233 134 HZ2 LYS 15 HZ2 LYS 15 12.610 -11.731 7.724 135 HZ3 LYS 15 HZ3 LYS 15 11.126 -10.987 8.048 136 H PHE 16 H PHE 16 13.043 -3.688 7.157 137 HA PHE 16 HA PHE 16 15.814 -3.649 7.513 138 HB2 PHE 16 HB2 PHE 16 13.900 -1.673 6.283 139 HB3 PHE 16 HB3 PHE 16 15.636 -1.385 6.316 140 HD1 PHE 16 HD2 PHE 16 16.732 -4.031 5.782 141 HD2 PHE 16 HD1 PHE 16 13.358 -2.076 4.076 142 HE1 PHE 16 HE2 PHE 16 16.993 -5.373 3.737 143 HE2 PHE 16 HE1 PHE 16 13.613 -3.416 2.028 144 HZ PHE 16 HZ PHE 16 15.432 -5.068 1.857 145 H THR 17 H THR 17 13.281 -2.028 9.225 146 HA THR 17 HA THR 17 14.700 0.125 10.322 147 HB THR 17 HB THR 17 12.413 -1.438 11.537 148 HG1 THR 17 HG1 THR 17 11.245 0.457 10.691 149 HG21 THR 17 HG21 THR 17 13.742 1.141 12.304 150 HG22 THR 17 HG22 THR 17 13.293 -0.224 13.327 151 HG23 THR 17 HG23 THR 17 12.046 0.845 12.685 152 H ALA 18 H ALA 18 14.848 -3.248 10.985 153 HA ALA 18 HA ALA 18 15.963 -2.984 13.628 154 HB1 ALA 18 HB1 ALA 18 15.543 -5.164 13.791 155 HB2 ALA 18 HB2 ALA 18 14.780 -5.043 12.205 156 HB3 ALA 18 HB3 ALA 18 16.471 -5.526 12.336 157 H LEU 19 H LEU 19 17.154 -2.496 10.551 158 HA LEU 19 HA LEU 19 19.893 -3.250 11.302 159 HB2 LEU 19 HB2 LEU 19 18.945 -2.389 8.582 160 HB3 LEU 19 HB3 LEU 19 20.450 -3.208 8.997 161 HG LEU 19 HG LEU 19 17.673 -4.383 8.986 162 HD11 LEU 19 HD11 LEU 19 18.956 -5.977 7.394 163 HD12 LEU 19 HD12 LEU 19 20.095 -4.638 7.253 164 HD13 LEU 19 HD13 LEU 19 18.407 -4.411 6.796 165 HD21 LEU 19 HD21 LEU 19 18.521 -5.557 10.740 166 HD22 LEU 19 HD22 LEU 19 20.196 -5.299 10.251 167 HD23 LEU 19 HD23 LEU 19 19.209 -6.504 9.421 168 H GLY 20 H GLY 20 17.973 -0.680 11.622 169 HA2 GLY 20 HA2 GLY 20 19.922 1.164 12.233 170 HA3 GLY 20 HA3 GLY 20 19.568 1.426 10.531 171 HA PRO 21 HA PRO 21 16.661 4.147 12.778 172 HB2 PRO 21 HB2 PRO 21 16.635 6.057 10.849 173 HB3 PRO 21 HB3 PRO 21 17.882 5.971 12.099 174 HG2 PRO 21 HG2 PRO 21 17.974 5.018 9.263 175 HG3 PRO 21 HG3 PRO 21 19.212 5.883 10.194 176 HD2 PRO 21 HD2 PRO 21 19.300 3.207 9.787 177 HD3 PRO 21 HD3 PRO 21 19.924 3.969 11.264 178 H TYR 22 H TYR 22 14.552 5.043 12.072 179 HA TYR 22 HA TYR 22 13.010 3.104 10.744 180 HB2 TYR 22 HB2 TYR 22 12.364 5.980 11.418 181 HB3 TYR 22 HB3 TYR 22 11.185 4.799 10.859 182 HD1 TYR 22 HD2 TYR 22 10.501 2.943 12.306 183 HD2 TYR 22 HD1 TYR 22 13.218 5.918 13.672 184 HE1 TYR 22 HE2 TYR 22 10.129 2.209 14.624 185 HE2 TYR 22 HE1 TYR 22 12.855 5.191 15.994 186 HH TYR 22 HH TYR 22 10.617 3.820 17.164 187 H ILE 23 H ILE 23 12.791 2.712 8.653 188 HA ILE 23 HA ILE 23 13.960 4.339 6.652 189 HB ILE 23 HB ILE 23 12.052 2.012 6.462 190 HG12 ILE 23 HG12 ILE 23 14.247 1.038 5.426 191 HG13 ILE 23 HG13 ILE 23 15.024 2.372 6.272 192 HG21 ILE 23 HG21 ILE 23 11.686 3.338 4.505 193 HG22 ILE 23 HG22 ILE 23 13.420 3.544 4.259 194 HG23 ILE 23 HG23 ILE 23 12.683 1.956 4.049 195 HD11 ILE 23 HD11 ILE 23 13.230 0.394 7.643 196 HD12 ILE 23 HD12 ILE 23 14.973 0.175 7.483 197 HD13 ILE 23 HD13 ILE 23 14.336 1.556 8.376 198 H ARG 24 H ARG 24 13.076 5.747 5.197 199 HA ARG 24 HA ARG 24 10.612 7.012 5.957 200 HB2 ARG 24 HB2 ARG 24 12.703 7.521 3.870 201 HB3 ARG 24 HB3 ARG 24 11.156 8.351 3.779 202 HG2 ARG 24 HG2 ARG 24 11.508 9.344 5.945 203 HG3 ARG 24 HG3 ARG 24 12.998 8.423 6.158 204 HD2 ARG 24 HD2 ARG 24 14.071 9.610 4.391 205 HD3 ARG 24 HD3 ARG 24 12.557 10.374 3.908 206 HE ARG 24 HE ARG 24 14.318 11.204 6.013 207 HH11 ARG 24 HH11 ARG 24 11.027 11.233 4.878 208 HH12 ARG 24 HH12 ARG 24 10.600 12.666 5.753 209 HH21 ARG 24 HH21 ARG 24 13.768 13.091 7.171 210 HH22 ARG 24 HH22 ARG 24 12.160 13.723 7.056 211 H GLU 25 H GLU 25 8.932 5.597 5.586 212 HA GLU 25 HA GLU 25 8.601 4.473 2.914 213 HB2 GLU 25 HB2 GLU 25 6.750 3.207 3.879 214 HB3 GLU 25 HB3 GLU 25 8.207 3.012 4.844 215 HG2 GLU 25 HG2 GLU 25 6.645 3.325 6.478 216 HG3 GLU 25 HG3 GLU 25 7.200 4.980 6.232 217 H GLY 26 H GLY 26 6.960 5.003 1.520 218 HA2 GLY 26 HA2 GLY 26 4.659 6.062 1.430 219 HA3 GLY 26 HA3 GLY 26 5.425 7.419 2.243 220 H GLN 27 H GLN 27 5.007 8.892 0.614 221 HA GLN 27 HA GLN 27 5.372 8.548 -2.108 222 HB2 GLN 27 HB2 GLN 27 4.261 10.502 -1.115 223 HB3 GLN 27 HB3 GLN 27 5.806 11.069 -0.496 224 HG2 GLN 27 HG2 GLN 27 5.073 12.240 -2.538 225 HG3 GLN 27 HG3 GLN 27 6.632 11.435 -2.712 226 HE21 GLN 27 HE21 GLN 27 3.211 10.533 -3.047 227 HE22 GLN 27 HE22 GLN 27 3.388 9.773 -4.588 228 H CYS 28 H CYS 28 7.725 9.252 0.390 229 HA CYS 28 HA CYS 28 9.876 10.124 -1.106 230 HB2 CYS 28 HB2 CYS 28 9.921 8.288 1.299 231 HB3 CYS 28 HB3 CYS 28 11.304 9.183 0.681 232 HG CYS 28 HG CYS 28 8.460 10.626 1.925 233 H GLU 29 H GLU 29 8.948 6.772 -0.366 234 HA GLU 29 HA GLU 29 11.029 5.730 -2.089 235 HB2 GLU 29 HB2 GLU 29 10.229 4.658 0.089 236 HB3 GLU 29 HB3 GLU 29 8.804 4.152 -0.809 237 HG2 GLU 29 HG2 GLU 29 11.522 3.499 -1.849 238 HG3 GLU 29 HG3 GLU 29 10.819 2.540 -0.547 239 H ASP 30 H ASP 30 10.785 5.599 -4.209 240 HA ASP 30 HA ASP 30 8.086 5.502 -5.344 241 HB2 ASP 30 HB2 ASP 30 10.016 7.157 -6.039 242 HB3 ASP 30 HB3 ASP 30 10.546 5.794 -7.020 243 H ASN 31 H ASN 31 11.248 4.061 -6.163 244 HA ASN 31 HA ASN 31 9.850 1.522 -6.680 245 HB2 ASN 31 HB2 ASN 31 10.635 2.906 -8.743 246 HB3 ASN 31 HB3 ASN 31 12.244 2.349 -8.294 247 HD21 ASN 31 HD21 ASN 31 12.090 1.379 -10.461 248 HD22 ASN 31 HD22 ASN 31 11.376 -0.188 -10.604 249 H ARG 32 H ARG 32 13.108 2.923 -6.287 250 HA ARG 32 HA ARG 32 13.964 0.459 -4.956 251 HB2 ARG 32 HB2 ARG 32 15.392 2.729 -6.284 252 HB3 ARG 32 HB3 ARG 32 16.240 1.770 -5.077 253 HG2 ARG 32 HG2 ARG 32 15.439 -0.253 -6.484 254 HG3 ARG 32 HG3 ARG 32 15.201 0.951 -7.753 255 HD2 ARG 32 HD2 ARG 32 17.585 1.678 -7.329 256 HD3 ARG 32 HD3 ARG 32 17.754 0.234 -6.332 257 HE ARG 32 HE ARG 32 17.905 -1.011 -8.241 258 HH11 ARG 32 HH11 ARG 32 16.518 2.086 -9.022 259 HH12 ARG 32 HH12 ARG 32 16.545 1.812 -10.733 260 HH21 ARG 32 HH21 ARG 32 17.945 -1.383 -10.491 261 HH22 ARG 32 HH22 ARG 32 17.355 -0.162 -11.567 262 H PHE 33 H PHE 33 14.587 0.376 -2.853 263 HA PHE 33 HA PHE 33 13.581 2.269 -1.045 264 HB2 PHE 33 HB2 PHE 33 15.530 -0.008 -0.746 265 HB3 PHE 33 HB3 PHE 33 15.086 1.012 0.619 266 HD1 PHE 33 HD1 PHE 33 12.624 1.180 1.228 267 HD2 PHE 33 HD2 PHE 33 14.183 -1.793 -1.389 268 HE1 PHE 33 HE1 PHE 33 10.622 -0.199 1.607 269 HE2 PHE 33 HE2 PHE 33 12.182 -3.176 -1.015 270 HZ PHE 33 HZ PHE 33 10.399 -2.380 0.486 271 H PHE 34 H PHE 34 14.566 3.828 0.229 272 HA PHE 34 HA PHE 34 17.324 4.557 -0.485 273 HB2 PHE 34 HB2 PHE 34 15.956 6.082 -1.725 274 HB3 PHE 34 HB3 PHE 34 14.924 6.383 -0.331 275 HD1 PHE 34 HD2 PHE 34 15.682 7.801 1.496 276 HD2 PHE 34 HD1 PHE 34 18.084 7.164 -1.960 277 HE1 PHE 34 HE2 PHE 34 17.079 9.730 2.116 278 HE2 PHE 34 HE1 PHE 34 19.485 9.091 -1.345 279 HZ PHE 34 HZ PHE 34 18.984 10.376 0.695 280 H PHE 35 H PHE 35 18.513 4.394 1.289 281 HA PHE 35 HA PHE 35 17.313 5.176 3.864 282 HB2 PHE 35 HB2 PHE 35 19.633 3.282 3.461 283 HB3 PHE 35 HB3 PHE 35 18.766 3.600 4.960 284 HD1 PHE 35 HD1 PHE 35 15.979 3.592 3.652 285 HD2 PHE 35 HD2 PHE 35 19.290 0.925 3.457 286 HE1 PHE 35 HE1 PHE 35 14.446 1.731 3.160 287 HE2 PHE 35 HE2 PHE 35 17.763 -0.940 2.963 288 HZ PHE 35 HZ PHE 35 15.338 -0.538 2.814 289 H ASP 36 H ASP 36 18.263 6.741 5.027 290 HA ASP 36 HA ASP 36 20.749 7.895 3.958 291 HB2 ASP 36 HB2 ASP 36 19.957 9.902 5.420 292 HB3 ASP 36 HB3 ASP 36 19.165 9.597 3.876 293 H CYS 37 H CYS 37 22.496 7.299 5.049 294 HA CYS 37 HA CYS 37 22.275 6.849 7.946 295 HB2 CYS 37 HB2 CYS 37 24.396 5.574 7.705 296 HB3 CYS 37 HB3 CYS 37 23.078 4.904 6.752 297 HG CYS 37 HG CYS 37 24.298 4.954 4.496 298 H LEU 38 H LEU 38 23.302 8.146 9.334 299 HA LEU 38 HA LEU 38 24.757 10.420 8.294 300 HB2 LEU 38 HB2 LEU 38 23.733 9.614 10.988 301 HB3 LEU 38 HB3 LEU 38 24.896 10.929 10.833 302 HG LEU 38 HG LEU 38 22.969 11.638 9.018 303 HD11 LEU 38 HD11 LEU 38 21.709 10.111 11.260 304 HD12 LEU 38 HD12 LEU 38 21.327 10.091 9.539 305 HD13 LEU 38 HD13 LEU 38 20.877 11.482 10.525 306 HD21 LEU 38 HD21 LEU 38 24.091 13.087 10.643 307 HD22 LEU 38 HD22 LEU 38 23.117 12.388 11.937 308 HD23 LEU 38 HD23 LEU 38 22.343 13.325 10.658 309 H ALA 39 H ALA 39 26.902 10.703 8.313 310 HA ALA 39 HA ALA 39 28.542 8.600 9.554 311 HB1 ALA 39 HB1 ALA 39 29.982 8.711 7.814 312 HB2 ALA 39 HB2 ALA 39 28.560 9.334 6.978 313 HB3 ALA 39 HB3 ALA 39 29.772 10.450 7.607 314 H VAL 40 H VAL 40 28.949 12.044 8.703 315 HA VAL 40 HA VAL 40 29.734 12.648 11.436 316 HB VAL 40 HB VAL 40 31.621 13.122 9.123 317 HG11 VAL 40 HG11 VAL 40 31.714 14.998 10.607 318 HG12 VAL 40 HG12 VAL 40 31.777 13.941 12.020 319 HG13 VAL 40 HG13 VAL 40 33.137 13.998 10.898 320 HG21 VAL 40 HG21 VAL 40 31.815 10.857 9.763 321 HG22 VAL 40 HG22 VAL 40 33.147 11.695 10.560 322 HG23 VAL 40 HG23 VAL 40 31.708 11.253 11.479 323 H CYS 41 H CYS 41 29.140 14.654 12.018 324 HA CYS 41 HA CYS 41 27.573 16.231 10.264 325 HB2 CYS 41 HB2 CYS 41 28.765 17.067 12.914 326 HB3 CYS 41 HB3 CYS 41 27.372 17.782 12.110 327 HG CYS 41 HG CYS 41 27.108 15.823 14.463 328 H VAL 42 H VAL 42 28.259 17.559 8.733 329 HA VAL 42 HA VAL 42 30.892 18.205 8.188 330 HB VAL 42 HB VAL 42 28.486 19.883 7.464 331 HG11 VAL 42 HG11 VAL 42 30.603 19.711 5.505 332 HG12 VAL 42 HG12 VAL 42 29.844 21.135 6.221 333 HG13 VAL 42 HG13 VAL 42 31.196 20.350 7.038 334 HG21 VAL 42 HG21 VAL 42 27.788 18.089 6.339 335 HG22 VAL 42 HG22 VAL 42 29.175 18.331 5.277 336 HG23 VAL 42 HG23 VAL 42 29.294 17.221 6.642 337 H ASN 43 H ASN 43 28.540 19.920 10.168 338 HA ASN 43 HA ASN 43 30.676 21.397 11.443 339 HB2 ASN 43 HB2 ASN 43 28.413 22.887 10.094 340 HB3 ASN 43 HB3 ASN 43 29.708 23.601 11.050 341 HD21 ASN 43 HD21 ASN 43 31.886 23.404 10.232 342 HD22 ASN 43 HD22 ASN 43 32.148 23.337 8.525 343 H VAL 44 H VAL 44 30.200 21.962 13.523 344 HA VAL 44 HA VAL 44 27.491 21.282 14.471 345 HB VAL 44 HB VAL 44 29.182 19.721 15.310 346 HG11 VAL 44 HG11 VAL 44 30.469 22.177 16.496 347 HG12 VAL 44 HG12 VAL 44 30.926 20.513 16.863 348 HG13 VAL 44 HG13 VAL 44 31.137 21.147 15.231 349 HG21 VAL 44 HG21 VAL 44 27.194 20.648 16.698 350 HG22 VAL 44 HG22 VAL 44 28.431 19.680 17.500 351 HG23 VAL 44 HG23 VAL 44 28.452 21.437 17.649 352 H LYS 45 H LYS 45 29.962 23.666 14.328 353 HA LYS 45 HA LYS 45 29.211 25.250 16.548 354 HB2 LYS 45 HB2 LYS 45 30.364 26.474 14.074 355 HB3 LYS 45 HB3 LYS 45 30.720 26.824 15.760 356 HG2 LYS 45 HG2 LYS 45 31.630 24.329 15.680 357 HG3 LYS 45 HG3 LYS 45 31.831 24.742 13.975 358 HD2 LYS 45 HD2 LYS 45 33.870 25.322 14.999 359 HD3 LYS 45 HD3 LYS 45 33.008 26.848 14.785 360 HE2 LYS 45 HE2 LYS 45 32.322 26.829 17.100 361 HE3 LYS 45 HE3 LYS 45 33.038 25.235 17.333 362 HZ1 LYS 45 HZ1 LYS 45 35.180 26.449 16.541 363 HZ2 LYS 45 HZ2 LYS 45 34.670 26.594 18.147 364 HZ3 LYS 45 HZ3 LYS 45 34.361 27.841 17.046 365 HA PRO 46 HA PRO 46 26.627 27.755 13.298 366 HB2 PRO 46 HB2 PRO 46 26.066 26.486 10.965 367 HB3 PRO 46 HB3 PRO 46 27.498 27.498 11.188 368 HG2 PRO 46 HG2 PRO 46 27.248 24.517 11.305 369 HG3 PRO 46 HG3 PRO 46 28.507 25.506 10.541 370 HD2 PRO 46 HD2 PRO 46 28.846 24.327 12.954 371 HD3 PRO 46 HD3 PRO 46 29.603 25.876 12.534 372 H ALA 47 H ALA 47 24.343 27.659 12.731 373 HA ALA 47 HA ALA 47 22.808 26.109 14.420 374 HB1 ALA 47 HB1 ALA 47 21.441 26.833 11.934 375 HB2 ALA 47 HB2 ALA 47 21.077 27.274 13.603 376 HB3 ALA 47 HB3 ALA 47 22.306 28.163 12.703 377 HA PRO 48 HA PRO 48 22.324 22.128 12.640 378 HB2 PRO 48 HB2 PRO 48 19.708 21.588 13.126 379 HB3 PRO 48 HB3 PRO 48 20.935 21.617 14.398 380 HG2 PRO 48 HG2 PRO 48 18.961 23.729 13.622 381 HG3 PRO 48 HG3 PRO 48 19.441 23.186 15.241 382 HD2 PRO 48 HD2 PRO 48 20.419 25.445 14.112 383 HD3 PRO 48 HD3 PRO 48 21.372 24.444 15.228 384 H GLU 49 H GLU 49 20.064 24.615 11.620 385 HA GLU 49 HA GLU 49 19.131 23.126 9.336 386 HB2 GLU 49 HB2 GLU 49 17.933 25.188 8.754 387 HB3 GLU 49 HB3 GLU 49 17.652 24.728 10.427 388 HG2 GLU 49 HG2 GLU 49 19.080 26.432 11.233 389 HG3 GLU 49 HG3 GLU 49 19.710 26.761 9.620 390 H LYS 50 H LYS 50 21.988 24.578 9.999 391 HA LYS 50 HA LYS 50 22.439 25.339 7.187 392 HB2 LYS 50 HB2 LYS 50 23.752 26.351 9.712 393 HB3 LYS 50 HB3 LYS 50 24.362 26.696 8.099 394 HG2 LYS 50 HG2 LYS 50 22.531 28.025 7.555 395 HG3 LYS 50 HG3 LYS 50 21.540 27.353 8.852 396 HD2 LYS 50 HD2 LYS 50 22.226 29.582 9.458 397 HD3 LYS 50 HD3 LYS 50 23.055 28.422 10.499 398 HE2 LYS 50 HE2 LYS 50 25.076 28.636 9.227 399 HE3 LYS 50 HE3 LYS 50 24.264 29.622 8.012 400 HZ1 LYS 50 HZ1 LYS 50 25.579 30.493 10.292 401 HZ2 LYS 50 HZ2 LYS 50 23.935 30.784 10.562 402 HZ3 LYS 50 HZ3 LYS 50 24.694 31.428 9.194 403 H ARG 51 H ARG 51 23.201 23.135 9.637 404 HA ARG 51 HA ARG 51 25.795 22.421 8.520 405 HB2 ARG 51 HB2 ARG 51 26.084 21.016 10.397 406 HB3 ARG 51 HB3 ARG 51 25.294 22.461 11.013 407 HG2 ARG 51 HG2 ARG 51 23.151 21.305 11.018 408 HG3 ARG 51 HG3 ARG 51 23.924 19.859 10.365 409 HD2 ARG 51 HD2 ARG 51 23.618 19.647 12.764 410 HD3 ARG 51 HD3 ARG 51 25.334 19.721 12.366 411 HE ARG 51 HE ARG 51 24.656 22.304 12.913 412 HH11 ARG 51 HH11 ARG 51 24.388 19.283 14.622 413 HH12 ARG 51 HH12 ARG 51 24.530 20.007 16.189 414 HH21 ARG 51 HH21 ARG 51 24.844 23.269 14.971 415 HH22 ARG 51 HH22 ARG 51 24.788 22.275 16.387 416 H GLU 52 H GLU 52 26.257 20.178 7.933 417 HA GLU 52 HA GLU 52 23.905 18.734 6.916 418 HB2 GLU 52 HB2 GLU 52 26.470 19.338 5.445 419 HB3 GLU 52 HB3 GLU 52 25.322 18.115 4.918 420 HG2 GLU 52 HG2 GLU 52 23.633 19.747 4.543 421 HG3 GLU 52 HG3 GLU 52 24.598 21.005 5.313 422 H PHE 53 H PHE 53 24.465 16.440 6.304 423 HA PHE 53 HA PHE 53 26.537 15.357 8.095 424 HB2 PHE 53 HB2 PHE 53 23.911 13.973 7.565 425 HB3 PHE 53 HB3 PHE 53 25.103 13.606 8.808 426 HD1 PHE 53 HD2 PHE 53 25.621 15.810 10.332 427 HD2 PHE 53 HD1 PHE 53 21.976 14.914 8.325 428 HE1 PHE 53 HE2 PHE 53 24.398 17.232 11.925 429 HE2 PHE 53 HE1 PHE 53 20.747 16.334 9.915 430 HZ PHE 53 HZ PHE 53 21.958 17.496 11.717 431 H TRP 54 H TRP 54 27.755 13.688 7.325 432 HA TRP 54 HA TRP 54 27.697 13.261 4.474 433 HB2 TRP 54 HB2 TRP 54 29.512 12.199 6.646 434 HB3 TRP 54 HB3 TRP 54 29.719 11.844 4.934 435 HD1 TRP 54 HD1 TRP 54 31.286 13.907 7.319 436 HE1 TRP 54 HE1 TRP 54 32.235 16.080 6.318 437 HE3 TRP 54 HE3 TRP 54 28.712 13.956 2.903 438 HZ2 TRP 54 HZ2 TRP 54 31.931 17.613 3.967 439 HZ3 TRP 54 HZ3 TRP 54 29.098 15.811 1.333 440 HH2 TRP 54 HH2 TRP 54 30.675 17.601 1.856 441 H GLY 55 H GLY 55 27.716 11.124 3.491 442 HA2 GLY 55 HA2 GLY 55 27.145 8.716 4.682 443 HA3 GLY 55 HA3 GLY 55 25.583 9.500 4.496 444 H TRP 56 H TRP 56 25.691 7.248 3.217 445 HA TRP 56 HA TRP 56 26.103 8.006 0.404 446 HB2 TRP 56 HB2 TRP 56 26.674 5.551 0.012 447 HB3 TRP 56 HB3 TRP 56 27.899 6.524 0.822 448 HD1 TRP 56 HD1 TRP 56 28.254 6.077 3.474 449 HE1 TRP 56 HE1 TRP 56 27.793 3.986 4.903 450 HE3 TRP 56 HE3 TRP 56 25.126 3.589 0.286 451 HZ2 TRP 56 HZ2 TRP 56 26.301 1.599 4.704 452 HZ3 TRP 56 HZ3 TRP 56 24.225 1.408 0.981 453 HH2 TRP 56 HH2 TRP 56 24.802 0.434 3.145 454 H TRP 57 H TRP 57 24.202 8.052 -0.580 455 HA TRP 57 HA TRP 57 21.822 7.011 0.450 456 HB2 TRP 57 HB2 TRP 57 22.353 7.546 -2.475 457 HB3 TRP 57 HB3 TRP 57 20.809 7.620 -1.631 458 HD1 TRP 57 HD1 TRP 57 22.060 9.365 0.877 459 HE1 TRP 57 HE1 TRP 57 22.433 11.881 0.483 460 HE3 TRP 57 HE3 TRP 57 22.146 9.382 -4.234 461 HZ2 TRP 57 HZ2 TRP 57 22.725 13.640 -1.704 462 HZ3 TRP 57 HZ3 TRP 57 22.477 11.523 -5.401 463 HH2 TRP 57 HH2 TRP 57 22.759 13.607 -4.160 464 H MET 58 H MET 58 21.122 4.993 0.601 465 HA MET 58 HA MET 58 22.401 2.909 -0.990 466 HB2 MET 58 HB2 MET 58 22.005 2.798 1.555 467 HB3 MET 58 HB3 MET 58 20.329 2.461 1.144 468 HG2 MET 58 HG2 MET 58 20.850 0.422 0.159 469 HG3 MET 58 HG3 MET 58 22.552 0.839 -0.025 470 HE1 MET 58 HE1 MET 58 21.449 -2.187 2.472 471 HE2 MET 58 HE2 MET 58 20.072 -1.108 2.696 472 HE3 MET 58 HE3 MET 58 20.653 -1.470 1.070 473 H GLU 59 H GLU 59 21.529 2.463 -2.901 474 HA GLU 59 HA GLU 59 18.596 2.570 -3.164 475 HB2 GLU 59 HB2 GLU 59 19.124 2.767 -5.658 476 HB3 GLU 59 HB3 GLU 59 19.459 4.170 -4.653 477 HG2 GLU 59 HG2 GLU 59 21.630 2.198 -5.167 478 HG3 GLU 59 HG3 GLU 59 21.189 3.350 -6.426 479 H LEU 60 H LEU 60 17.717 0.616 -3.128 480 HA LEU 60 HA LEU 60 19.001 -1.534 -4.661 481 HB2 LEU 60 HB2 LEU 60 18.270 -3.126 -2.868 482 HB3 LEU 60 HB3 LEU 60 19.596 -2.049 -2.434 483 HG LEU 60 HG LEU 60 16.909 -1.107 -1.680 484 HD11 LEU 60 HD11 LEU 60 16.241 -3.018 -0.752 485 HD12 LEU 60 HD12 LEU 60 17.522 -2.764 0.433 486 HD13 LEU 60 HD13 LEU 60 17.817 -3.777 -0.981 487 HD21 LEU 60 HD21 LEU 60 18.527 0.238 -0.804 488 HD22 LEU 60 HD22 LEU 60 19.691 -1.077 -0.639 489 HD23 LEU 60 HD23 LEU 60 18.369 -0.918 0.519 490 H GLU 61 H GLU 61 17.522 -3.276 -5.260 491 HA GLU 61 HA GLU 61 14.692 -2.486 -5.241 492 HB2 GLU 61 HB2 GLU 61 15.981 -1.954 -7.424 493 HB3 GLU 61 HB3 GLU 61 15.953 -3.692 -7.687 494 HG2 GLU 61 HG2 GLU 61 14.134 -2.496 -8.840 495 HG3 GLU 61 HG3 GLU 61 13.557 -3.712 -7.702 496 H ALA 62 H ALA 62 13.669 -4.038 -4.168 497 HA ALA 62 HA ALA 62 14.666 -6.678 -3.864 498 HB1 ALA 62 HB1 ALA 62 12.781 -7.096 -2.533 499 HB2 ALA 62 HB2 ALA 62 13.143 -5.388 -2.278 500 HB3 ALA 62 HB3 ALA 62 11.824 -5.859 -3.349 501 H GLN 63 H GLN 63 14.647 -8.215 -5.356 502 HA GLN 63 HA GLN 63 12.780 -8.083 -7.578 503 HB2 GLN 63 HB2 GLN 63 15.413 -9.088 -7.193 504 HB3 GLN 63 HB3 GLN 63 14.390 -10.439 -7.665 505 HG2 GLN 63 HG2 GLN 63 14.914 -7.896 -9.167 506 HG3 GLN 63 HG3 GLN 63 15.280 -9.550 -9.652 507 HE21 GLN 63 HE21 GLN 63 13.378 -10.986 -9.929 508 HE22 GLN 63 HE22 GLN 63 11.952 -10.306 -10.627 509 H GLU 64 H GLU 64 12.319 -10.637 -8.274 510 HA GLU 64 HA GLU 64 10.124 -11.393 -6.776 511 HB2 GLU 64 HB2 GLU 64 11.811 -12.708 -8.831 512 HB3 GLU 64 HB3 GLU 64 10.781 -13.760 -7.871 513 HG2 GLU 64 HG2 GLU 64 8.929 -12.030 -8.486 514 HG3 GLU 64 HG3 GLU 64 10.029 -11.622 -9.801 515 H LYS 65 H LYS 65 13.379 -12.839 -6.708 516 HA LYS 65 HA LYS 65 12.976 -13.536 -3.906 517 HB2 LYS 65 HB2 LYS 65 14.034 -15.844 -4.507 518 HB3 LYS 65 HB3 LYS 65 12.306 -15.598 -4.719 519 HG2 LYS 65 HG2 LYS 65 13.202 -16.761 -6.624 520 HG3 LYS 65 HG3 LYS 65 12.687 -15.144 -7.108 521 HD2 LYS 65 HD2 LYS 65 14.909 -14.362 -7.226 522 HD3 LYS 65 HD3 LYS 65 15.530 -15.763 -6.350 523 HE2 LYS 65 HE2 LYS 65 16.102 -16.245 -8.542 524 HE3 LYS 65 HE3 LYS 65 14.585 -17.120 -8.343 525 HZ1 LYS 65 HZ1 LYS 65 14.469 -14.372 -9.345 526 HZ2 LYS 65 HZ2 LYS 65 13.474 -15.693 -9.701 527 HZ3 LYS 65 HZ3 LYS 65 15.009 -15.577 -10.403 528 H ARG 66 H ARG 66 14.654 -11.676 -5.520 529 HA ARG 66 HA ARG 66 17.223 -12.449 -4.345 530 HB2 ARG 66 HB2 ARG 66 17.725 -13.075 -6.516 531 HB3 ARG 66 HB3 ARG 66 16.681 -11.849 -7.222 532 HG2 ARG 66 HG2 ARG 66 18.264 -10.129 -6.768 533 HG3 ARG 66 HG3 ARG 66 19.256 -11.223 -5.801 534 HD2 ARG 66 HD2 ARG 66 18.690 -11.600 -8.737 535 HD3 ARG 66 HD3 ARG 66 20.124 -10.792 -8.105 536 HE ARG 66 HE ARG 66 20.177 -13.172 -6.841 537 HH11 ARG 66 HH11 ARG 66 19.829 -12.277 -10.187 538 HH12 ARG 66 HH12 ARG 66 20.589 -13.715 -10.786 539 HH21 ARG 66 HH21 ARG 66 21.179 -15.069 -7.617 540 HH22 ARG 66 HH22 ARG 66 21.355 -15.302 -9.323 541 H PHE 67 H PHE 67 18.515 -10.736 -3.686 542 HA PHE 67 HA PHE 67 17.263 -8.074 -3.855 543 HB2 PHE 67 HB2 PHE 67 18.075 -9.631 -1.549 544 HB3 PHE 67 HB3 PHE 67 18.902 -8.077 -1.588 545 HD1 PHE 67 HD1 PHE 67 15.676 -9.763 -1.285 546 HD2 PHE 67 HD2 PHE 67 17.678 -6.008 -1.360 547 HE1 PHE 67 HE1 PHE 67 13.664 -8.676 -0.378 548 HE2 PHE 67 HE2 PHE 67 15.669 -4.915 -0.453 549 HZ PHE 67 HZ PHE 67 13.658 -6.249 0.039 550 H THR 68 H THR 68 18.532 -6.364 -4.382 551 HA THR 68 HA THR 68 21.392 -6.913 -4.844 552 HB THR 68 HB THR 68 20.079 -6.722 -6.959 553 HG1 THR 68 HG1 THR 68 22.314 -6.113 -6.855 554 HG21 THR 68 HG21 THR 68 19.259 -4.522 -7.643 555 HG22 THR 68 HG22 THR 68 19.693 -3.862 -6.066 556 HG23 THR 68 HG23 THR 68 18.425 -5.080 -6.193 557 H TYR 69 H TYR 69 22.746 -4.921 -4.907 558 HA TYR 69 HA TYR 69 21.710 -2.619 -3.479 559 HB2 TYR 69 HB2 TYR 69 23.954 -4.292 -2.331 560 HB3 TYR 69 HB3 TYR 69 23.426 -2.732 -1.712 561 HD1 TYR 69 HD1 TYR 69 21.336 -2.521 -0.485 562 HD2 TYR 69 HD2 TYR 69 22.624 -6.293 -1.974 563 HE1 TYR 69 HE1 TYR 69 19.688 -3.645 0.954 564 HE2 TYR 69 HE2 TYR 69 20.979 -7.427 -0.540 565 HH TYR 69 HH TYR 69 18.441 -5.871 0.933 566 H ARG 70 H ARG 70 23.303 -0.858 -3.353 567 HA ARG 70 HA ARG 70 25.616 -1.094 -5.103 568 HB2 ARG 70 HB2 ARG 70 23.296 -0.269 -6.242 569 HB3 ARG 70 HB3 ARG 70 23.945 1.269 -5.690 570 HG2 ARG 70 HG2 ARG 70 25.202 1.335 -7.508 571 HG3 ARG 70 HG3 ARG 70 26.081 -0.074 -6.910 572 HD2 ARG 70 HD2 ARG 70 23.586 -0.128 -8.606 573 HD3 ARG 70 HD3 ARG 70 25.226 -0.444 -9.171 574 HE ARG 70 HE ARG 70 24.758 -2.211 -7.097 575 HH11 ARG 70 HH11 ARG 70 23.413 -1.529 -10.235 576 HH12 ARG 70 HH12 ARG 70 22.906 -3.161 -10.517 577 HH21 ARG 70 HH21 ARG 70 24.095 -4.364 -7.456 578 HH22 ARG 70 HH22 ARG 70 23.293 -4.773 -8.935 579 H TYR 71 H TYR 71 27.001 0.835 -5.023 580 HA TYR 71 HA TYR 71 26.743 2.196 -2.425 581 HB2 TYR 71 HB2 TYR 71 29.268 2.550 -2.734 582 HB3 TYR 71 HB3 TYR 71 28.718 0.923 -2.351 583 HD1 TYR 71 HD1 TYR 71 28.716 -0.827 -4.090 584 HD2 TYR 71 HD2 TYR 71 30.298 3.051 -4.840 585 HE1 TYR 71 HE1 TYR 71 29.873 -1.691 -6.081 586 HE2 TYR 71 HE2 TYR 71 31.459 2.198 -6.833 587 HH TYR 71 HH TYR 71 32.325 -0.100 -7.616 588 H GLN 72 H GLN 72 26.100 4.232 -2.585 589 HA GLN 72 HA GLN 72 27.230 5.909 -4.711 590 HB2 GLN 72 HB2 GLN 72 24.851 5.103 -5.212 591 HB3 GLN 72 HB3 GLN 72 24.343 6.135 -3.882 592 HG2 GLN 72 HG2 GLN 72 24.976 8.087 -5.000 593 HG3 GLN 72 HG3 GLN 72 25.963 7.204 -6.163 594 HE21 GLN 72 HE21 GLN 72 23.499 9.058 -6.224 595 HE22 GLN 72 HE22 GLN 72 22.437 8.258 -7.328 596 H PHE 73 H PHE 73 27.990 7.802 -4.004 597 HA PHE 73 HA PHE 73 27.614 8.470 -1.193 598 HB2 PHE 73 HB2 PHE 73 29.548 9.373 -3.313 599 HB3 PHE 73 HB3 PHE 73 29.390 10.246 -1.792 600 HD1 PHE 73 HD1 PHE 73 29.734 8.927 0.366 601 HD2 PHE 73 HD2 PHE 73 30.912 7.500 -3.467 602 HE1 PHE 73 HE1 PHE 73 31.286 7.345 1.435 603 HE2 PHE 73 HE2 PHE 73 32.464 5.915 -2.404 604 HZ PHE 73 HZ PHE 73 32.653 5.836 0.050 605 H GLY 74 H GLY 74 27.348 10.799 -0.609 606 HA2 GLY 74 HA2 GLY 74 26.445 12.807 -2.258 607 HA3 GLY 74 HA3 GLY 74 25.022 11.837 -1.908 608 H LEU 75 H LEU 75 24.503 14.113 -1.041 609 HA LEU 75 HA LEU 75 25.454 14.360 1.733 610 HB2 LEU 75 HB2 LEU 75 25.668 16.262 -0.026 611 HB3 LEU 75 HB3 LEU 75 23.950 16.503 0.285 612 HG LEU 75 HG LEU 75 25.367 18.049 1.564 613 HD11 LEU 75 HD11 LEU 75 24.310 16.340 3.709 614 HD12 LEU 75 HD12 LEU 75 23.171 16.725 2.420 615 HD13 LEU 75 HD13 LEU 75 23.960 18.023 3.315 616 HD21 LEU 75 HD21 LEU 75 26.288 16.051 3.479 617 HD22 LEU 75 HD22 LEU 75 27.141 17.422 2.769 618 HD23 LEU 75 HD23 LEU 75 27.037 15.896 1.889 619 H PHE 76 H PHE 76 24.072 14.097 3.376 620 HA PHE 76 HA PHE 76 21.239 13.669 2.714 621 HB2 PHE 76 HB2 PHE 76 22.175 11.699 3.682 622 HB3 PHE 76 HB3 PHE 76 22.957 12.620 4.963 623 HD1 PHE 76 HD1 PHE 76 19.461 12.692 3.681 624 HD2 PHE 76 HD2 PHE 76 22.058 11.909 6.962 625 HE1 PHE 76 HE1 PHE 76 17.510 12.320 5.133 626 HE2 PHE 76 HE2 PHE 76 20.111 11.535 8.418 627 HZ PHE 76 HZ PHE 76 17.833 11.739 7.504 628 H ASP 77 H ASP 77 20.413 15.717 2.872 629 HA ASP 77 HA ASP 77 21.048 17.501 5.004 630 HB2 ASP 77 HB2 ASP 77 20.074 17.970 2.604 631 HB3 ASP 77 HB3 ASP 77 18.525 17.758 3.416 632 H LYS 78 H LYS 78 19.065 18.501 6.236 633 HA LYS 78 HA LYS 78 18.079 16.420 7.943 634 HB2 LYS 78 HB2 LYS 78 16.961 18.318 9.142 635 HB3 LYS 78 HB3 LYS 78 18.703 18.490 8.969 636 HG2 LYS 78 HG2 LYS 78 18.528 20.244 7.520 637 HG3 LYS 78 HG3 LYS 78 16.957 19.723 6.905 638 HD2 LYS 78 HD2 LYS 78 16.736 21.754 8.232 639 HD3 LYS 78 HD3 LYS 78 15.912 20.404 9.016 640 HE2 LYS 78 HE2 LYS 78 17.621 20.168 10.625 641 HE3 LYS 78 HE3 LYS 78 18.728 21.193 9.713 642 HZ1 LYS 78 HZ1 LYS 78 16.792 22.921 10.109 643 HZ2 LYS 78 HZ2 LYS 78 18.020 22.681 11.247 644 HZ3 LYS 78 HZ3 LYS 78 16.513 21.943 11.462 645 H GLU 79 H GLU 79 16.806 18.316 5.314 646 HA GLU 79 HA GLU 79 14.079 17.427 5.829 647 HB2 GLU 79 HB2 GLU 79 13.378 18.990 4.237 648 HB3 GLU 79 HB3 GLU 79 14.741 19.778 5.020 649 HG2 GLU 79 HG2 GLU 79 15.380 20.186 2.913 650 HG3 GLU 79 HG3 GLU 79 16.013 18.543 2.999 651 H GLY 80 H GLY 80 16.800 16.304 4.229 652 HA2 GLY 80 HA2 GLY 80 16.870 14.187 3.170 653 HA3 GLY 80 HA3 GLY 80 15.168 14.359 2.767 654 H ASN 81 H ASN 81 17.176 17.083 2.184 655 HA ASN 81 HA ASN 81 16.615 17.043 -0.602 656 HB2 ASN 81 HB2 ASN 81 17.879 18.853 1.305 657 HB3 ASN 81 HB3 ASN 81 18.686 18.856 -0.260 658 HD21 ASN 81 HD21 ASN 81 16.556 20.505 1.423 659 HD22 ASN 81 HD22 ASN 81 15.484 21.044 0.181 660 H TRP 82 H TRP 82 17.885 16.525 -2.330 661 HA TRP 82 HA TRP 82 20.241 14.900 -1.738 662 HB2 TRP 82 HB2 TRP 82 20.035 14.166 -4.103 663 HB3 TRP 82 HB3 TRP 82 18.577 13.863 -3.162 664 HD1 TRP 82 HD1 TRP 82 19.868 15.875 -6.113 665 HE1 TRP 82 HE1 TRP 82 17.877 16.992 -7.302 666 HE3 TRP 82 HE3 TRP 82 16.200 14.833 -2.708 667 HZ2 TRP 82 HZ2 TRP 82 15.117 17.380 -6.856 668 HZ3 TRP 82 HZ3 TRP 82 13.911 15.613 -3.164 669 HH2 TRP 82 HH2 TRP 82 13.383 16.860 -5.195 670 H THR 83 H THR 83 22.220 15.684 -1.969 671 HA THR 83 HA THR 83 22.778 17.655 -4.048 672 HB THR 83 HB THR 83 23.462 18.126 -1.139 673 HG1 THR 83 HG1 THR 83 21.418 18.847 -1.426 674 HG21 THR 83 HG21 THR 83 24.634 19.127 -3.608 675 HG22 THR 83 HG22 THR 83 25.214 19.262 -1.948 676 HG23 THR 83 HG23 THR 83 24.039 20.421 -2.568 677 H VAL 84 H VAL 84 24.769 17.443 -4.931 678 HA VAL 84 HA VAL 84 26.441 15.272 -3.900 679 HB VAL 84 HB VAL 84 27.615 15.474 -6.115 680 HG11 VAL 84 HG11 VAL 84 26.258 13.719 -6.390 681 HG12 VAL 84 HG12 VAL 84 24.907 14.527 -5.594 682 HG13 VAL 84 HG13 VAL 84 25.227 14.820 -7.303 683 HG21 VAL 84 HG21 VAL 84 27.196 17.164 -7.494 684 HG22 VAL 84 HG22 VAL 84 25.472 16.793 -7.495 685 HG23 VAL 84 HG23 VAL 84 26.144 17.861 -6.263 686 H VAL 85 H VAL 85 28.096 15.796 -2.646 687 HA VAL 85 HA VAL 85 29.721 18.136 -3.334 688 HB VAL 85 HB VAL 85 29.942 18.462 -0.752 689 HG11 VAL 85 HG11 VAL 85 29.152 20.303 -1.869 690 HG12 VAL 85 HG12 VAL 85 27.807 19.422 -2.595 691 HG13 VAL 85 HG13 VAL 85 27.741 19.890 -0.896 692 HG21 VAL 85 HG21 VAL 85 28.282 17.699 0.618 693 HG22 VAL 85 HG22 VAL 85 27.091 17.621 -0.681 694 HG23 VAL 85 HG23 VAL 85 28.331 16.373 -0.545 695 HA PRO 86 HA PRO 86 33.172 15.544 -2.539 696 HB2 PRO 86 HB2 PRO 86 34.969 17.302 -1.514 697 HB3 PRO 86 HB3 PRO 86 34.504 17.288 -3.219 698 HG2 PRO 86 HG2 PRO 86 33.539 19.060 -1.007 699 HG3 PRO 86 HG3 PRO 86 33.975 19.486 -2.673 700 HD2 PRO 86 HD2 PRO 86 31.406 19.182 -1.871 701 HD3 PRO 86 HD3 PRO 86 31.947 18.787 -3.516 702 H ILE 87 H ILE 87 34.431 14.530 -0.904 703 HA ILE 87 HA ILE 87 33.184 14.653 1.729 704 HB ILE 87 HB ILE 87 35.221 12.701 0.649 705 HG12 ILE 87 HG12 ILE 87 33.045 12.588 -0.511 706 HG13 ILE 87 HG13 ILE 87 33.347 11.146 0.453 707 HG21 ILE 87 HG21 ILE 87 33.946 13.062 3.290 708 HG22 ILE 87 HG22 ILE 87 34.062 11.409 2.687 709 HG23 ILE 87 HG23 ILE 87 35.519 12.385 2.870 710 HD11 ILE 87 HD11 ILE 87 31.950 13.052 2.045 711 HD12 ILE 87 HD12 ILE 87 31.108 12.841 0.509 712 HD13 ILE 87 HD13 ILE 87 31.444 11.443 1.530 713 H ASN 88 H ASN 88 34.312 14.991 3.644 714 HA ASN 88 HA ASN 88 36.331 16.918 3.613 715 HB2 ASN 88 HB2 ASN 88 34.718 15.729 5.546 716 HB3 ASN 88 HB3 ASN 88 36.356 15.317 6.042 717 HD21 ASN 88 HD21 ASN 88 36.219 16.640 7.851 718 HD22 ASN 88 HD22 ASN 88 36.288 18.362 7.735 719 H GLU 89 H GLU 89 38.345 16.320 5.250 720 HA GLU 89 HA GLU 89 40.254 15.114 3.678 721 HB2 GLU 89 HB2 GLU 89 40.061 15.715 6.591 722 HB3 GLU 89 HB3 GLU 89 41.382 14.691 6.045 723 HG2 GLU 89 HG2 GLU 89 42.168 16.417 4.562 724 HG3 GLU 89 HG3 GLU 89 40.784 17.434 4.961 725 H THR 90 H THR 90 41.555 13.126 4.257 726 HA THR 90 HA THR 90 40.061 10.829 3.875 727 HB THR 90 HB THR 90 42.363 10.714 3.345 728 HG1 THR 90 HG1 THR 90 42.204 9.174 5.726 729 HG21 THR 90 HG21 THR 90 42.700 11.902 6.017 730 HG22 THR 90 HG22 THR 90 43.659 12.114 4.552 731 HG23 THR 90 HG23 THR 90 43.911 10.699 5.575 732 H GLU 91 H GLU 91 40.863 12.474 6.830 733 HA GLU 91 HA GLU 91 40.565 10.468 8.713 734 HB2 GLU 91 HB2 GLU 91 39.862 12.266 10.273 735 HB3 GLU 91 HB3 GLU 91 41.300 12.678 9.350 736 HG2 GLU 91 HG2 GLU 91 39.790 13.929 7.772 737 HG3 GLU 91 HG3 GLU 91 38.501 13.690 8.951 738 H VAL 92 H VAL 92 38.076 12.413 7.119 739 HA VAL 92 HA VAL 92 35.927 11.165 8.573 740 HB VAL 92 HB VAL 92 35.864 12.954 6.139 741 HG11 VAL 92 HG11 VAL 92 33.762 11.510 7.602 742 HG12 VAL 92 HG12 VAL 92 33.434 13.218 7.304 743 HG13 VAL 92 HG13 VAL 92 33.775 12.136 5.953 744 HG21 VAL 92 HG21 VAL 92 34.878 14.498 8.035 745 HG22 VAL 92 HG22 VAL 92 35.841 13.447 9.075 746 HG23 VAL 92 HG23 VAL 92 36.618 14.360 7.782 747 H VAL 93 H VAL 93 37.113 11.064 5.220 748 HA VAL 93 HA VAL 93 35.286 9.316 4.123 749 HB VAL 93 HB VAL 93 37.562 10.484 3.209 750 HG11 VAL 93 HG11 VAL 93 38.929 8.698 4.262 751 HG12 VAL 93 HG12 VAL 93 38.136 7.524 3.209 752 HG13 VAL 93 HG13 VAL 93 39.132 8.803 2.513 753 HG21 VAL 93 HG21 VAL 93 37.003 9.586 1.097 754 HG22 VAL 93 HG22 VAL 93 36.302 8.135 1.814 755 HG23 VAL 93 HG23 VAL 93 35.486 9.688 1.992 756 H GLU 94 H GLU 94 38.000 8.625 6.229 757 HA GLU 94 HA GLU 94 38.141 5.846 5.845 758 HB2 GLU 94 HB2 GLU 94 38.957 7.700 8.049 759 HB3 GLU 94 HB3 GLU 94 39.025 5.964 8.314 760 HG2 GLU 94 HG2 GLU 94 40.288 6.154 5.934 761 HG3 GLU 94 HG3 GLU 94 40.728 7.696 6.667 762 H ARG 95 H ARG 95 36.110 7.833 7.916 763 HA ARG 95 HA ARG 95 35.010 5.652 9.393 764 HB2 ARG 95 HB2 ARG 95 34.964 7.815 10.406 765 HB3 ARG 95 HB3 ARG 95 34.141 8.516 9.019 766 HG2 ARG 95 HG2 ARG 95 32.593 8.253 10.843 767 HG3 ARG 95 HG3 ARG 95 32.160 7.152 9.533 768 HD2 ARG 95 HD2 ARG 95 31.964 5.879 11.499 769 HD3 ARG 95 HD3 ARG 95 33.498 5.388 10.782 770 HE ARG 95 HE ARG 95 34.140 7.403 12.522 771 HH11 ARG 95 HH11 ARG 95 32.531 4.324 12.760 772 HH12 ARG 95 HH12 ARG 95 33.030 4.043 14.395 773 HH21 ARG 95 HH21 ARG 95 34.803 7.043 14.675 774 HH22 ARG 95 HH22 ARG 95 34.321 5.590 15.484 775 H LEU 96 H LEU 96 34.186 7.301 6.423 776 HA LEU 96 HA LEU 96 31.549 6.269 6.180 777 HB2 LEU 96 HB2 LEU 96 33.488 7.623 4.375 778 HB3 LEU 96 HB3 LEU 96 32.113 6.790 3.653 779 HG LEU 96 HG LEU 96 31.706 9.192 3.932 780 HD11 LEU 96 HD11 LEU 96 29.881 7.468 4.083 781 HD12 LEU 96 HD12 LEU 96 29.527 9.018 4.845 782 HD13 LEU 96 HD13 LEU 96 29.978 7.631 5.836 783 HD21 LEU 96 HD21 LEU 96 33.103 9.537 5.921 784 HD22 LEU 96 HD22 LEU 96 31.940 8.629 6.887 785 HD23 LEU 96 HD23 LEU 96 31.469 10.160 6.147 786 H GLU 97 H GLU 97 34.723 5.136 5.200 787 HA GLU 97 HA GLU 97 33.823 3.046 3.505 788 HB2 GLU 97 HB2 GLU 97 36.365 3.967 4.612 789 HB3 GLU 97 HB3 GLU 97 36.278 2.217 4.466 790 HG2 GLU 97 HG2 GLU 97 37.144 2.792 2.431 791 HG3 GLU 97 HG3 GLU 97 35.421 2.739 2.063 792 H TYR 98 H TYR 98 34.657 3.206 6.934 793 HA TYR 98 HA TYR 98 34.363 0.412 7.405 794 HB2 TYR 98 HB2 TYR 98 35.726 1.718 8.904 795 HB3 TYR 98 HB3 TYR 98 34.374 2.778 9.286 796 HD1 TYR 98 HD2 TYR 98 32.523 1.961 10.701 797 HD2 TYR 98 HD1 TYR 98 35.978 -0.412 9.972 798 HE1 TYR 98 HE2 TYR 98 31.927 0.520 12.603 799 HE2 TYR 98 HE1 TYR 98 35.391 -1.861 11.871 800 HH TYR 98 HH TYR 98 33.552 -2.470 13.222 801 H THR 99 H THR 99 32.226 3.194 7.614 802 HA THR 99 HA THR 99 30.098 1.927 8.971 803 HB THR 99 HB THR 99 28.684 3.764 7.975 804 HG1 THR 99 HG1 THR 99 29.863 4.117 6.061 805 HG21 THR 99 HG21 THR 99 30.858 3.937 9.840 806 HG22 THR 99 HG22 THR 99 29.307 4.777 9.859 807 HG23 THR 99 HG23 THR 99 30.677 5.473 8.993 808 H LEU 100 H LEU 100 30.729 2.446 5.513 809 HA LEU 100 HA LEU 100 28.357 1.196 4.605 810 HB2 LEU 100 HB2 LEU 100 29.152 1.534 2.484 811 HB3 LEU 100 HB3 LEU 100 30.046 2.758 3.384 812 HG LEU 100 HG LEU 100 31.857 0.829 3.501 813 HD11 LEU 100 HD11 LEU 100 31.577 -0.015 0.910 814 HD12 LEU 100 HD12 LEU 100 29.927 -0.103 1.525 815 HD13 LEU 100 HD13 LEU 100 31.221 -0.973 2.348 816 HD21 LEU 100 HD21 LEU 100 31.629 2.220 0.873 817 HD22 LEU 100 HD22 LEU 100 33.037 1.997 1.912 818 HD23 LEU 100 HD23 LEU 100 31.798 3.176 2.345 819 H ARG 101 H ARG 101 31.565 0.010 5.377 820 HA ARG 101 HA ARG 101 31.267 -2.560 4.212 821 HB2 ARG 101 HB2 ARG 101 33.439 -1.444 4.884 822 HB3 ARG 101 HB3 ARG 101 33.040 -1.850 6.548 823 HG2 ARG 101 HG2 ARG 101 32.993 -4.045 4.558 824 HG3 ARG 101 HG3 ARG 101 34.564 -3.397 5.033 825 HD2 ARG 101 HD2 ARG 101 34.044 -3.817 7.375 826 HD3 ARG 101 HD3 ARG 101 32.448 -4.418 6.925 827 HE ARG 101 HE ARG 101 34.574 -5.835 5.634 828 HH11 ARG 101 HH11 ARG 101 32.712 -5.576 8.565 829 HH12 ARG 101 HH12 ARG 101 32.979 -7.222 9.034 830 HH21 ARG 101 HH21 ARG 101 34.932 -8.005 6.241 831 HH22 ARG 101 HH22 ARG 101 34.242 -8.603 7.712 832 H GLU 102 H GLU 102 30.766 -1.313 7.493 833 HA GLU 102 HA GLU 102 30.025 -3.843 8.587 834 HB2 GLU 102 HB2 GLU 102 29.998 -1.014 9.529 835 HB3 GLU 102 HB3 GLU 102 28.997 -2.179 10.385 836 HG2 GLU 102 HG2 GLU 102 31.965 -2.407 9.939 837 HG3 GLU 102 HG3 GLU 102 31.179 -1.909 11.436 838 H PHE 103 H PHE 103 28.328 -1.252 6.998 839 HA PHE 103 HA PHE 103 25.717 -1.763 7.837 840 HB2 PHE 103 HB2 PHE 103 26.706 0.139 6.332 841 HB3 PHE 103 HB3 PHE 103 26.289 -0.947 5.010 842 HD1 PHE 103 HD2 PHE 103 23.844 -1.855 5.029 843 HD2 PHE 103 HD1 PHE 103 25.132 1.626 7.112 844 HE1 PHE 103 HE2 PHE 103 21.524 -1.037 5.089 845 HE2 PHE 103 HE1 PHE 103 22.814 2.449 7.176 846 HZ PHE 103 HZ PHE 103 21.007 1.118 6.162 847 H HIS 104 H HIS 104 27.615 -3.211 5.233 848 HA HIS 104 HA HIS 104 25.495 -4.797 4.193 849 HB2 HIS 104 HB2 HIS 104 27.368 -4.299 2.772 850 HB3 HIS 104 HB3 HIS 104 28.497 -5.009 3.921 851 HD1 HIS 104 HD1 HIS 104 28.336 -7.670 4.188 852 HD2 HIS 104 HD2 HIS 104 26.350 -6.039 0.924 853 HE1 HIS 104 HE1 HIS 104 27.896 -9.599 2.636 854 H GLU 105 H GLU 105 27.896 -5.256 6.696 855 HA GLU 105 HA GLU 105 27.766 -8.024 6.997 856 HB2 GLU 105 HB2 GLU 105 29.051 -5.953 8.289 857 HB3 GLU 105 HB3 GLU 105 27.966 -6.570 9.527 858 HG2 GLU 105 HG2 GLU 105 28.917 -8.885 8.823 859 HG3 GLU 105 HG3 GLU 105 30.237 -7.927 8.155 860 H LYS 106 H LYS 106 25.838 -5.493 8.583 861 HA LYS 106 HA LYS 106 24.195 -7.360 9.994 862 HB2 LYS 106 HB2 LYS 106 23.108 -5.515 10.892 863 HB3 LYS 106 HB3 LYS 106 24.710 -4.875 10.551 864 HG2 LYS 106 HG2 LYS 106 23.601 -4.203 8.267 865 HG3 LYS 106 HG3 LYS 106 22.115 -4.313 9.213 866 HD2 LYS 106 HD2 LYS 106 24.525 -2.622 9.881 867 HD3 LYS 106 HD3 LYS 106 22.997 -2.035 9.220 868 HE2 LYS 106 HE2 LYS 106 21.832 -2.809 11.222 869 HE3 LYS 106 HE3 LYS 106 23.350 -3.418 11.878 870 HZ1 LYS 106 HZ1 LYS 106 23.861 -0.804 11.255 871 HZ2 LYS 106 HZ2 LYS 106 23.582 -1.428 12.802 872 HZ3 LYS 106 HZ3 LYS 106 22.303 -0.766 11.913 873 H LEU 107 H LEU 107 24.011 -5.700 6.921 874 HA LEU 107 HA LEU 107 21.274 -6.141 6.394 875 HB2 LEU 107 HB2 LEU 107 23.252 -4.764 5.171 876 HB3 LEU 107 HB3 LEU 107 23.126 -6.160 4.103 877 HG LEU 107 HG LEU 107 21.769 -4.472 3.164 878 HD11 LEU 107 HD11 LEU 107 19.539 -5.440 3.249 879 HD12 LEU 107 HD12 LEU 107 19.969 -6.338 4.704 880 HD13 LEU 107 HD13 LEU 107 20.768 -6.704 3.175 881 HD21 LEU 107 HD21 LEU 107 21.414 -3.666 5.854 882 HD22 LEU 107 HD22 LEU 107 19.816 -3.968 5.173 883 HD23 LEU 107 HD23 LEU 107 20.910 -2.831 4.384 884 H ARG 108 H ARG 108 24.150 -8.094 5.884 885 HA ARG 108 HA ARG 108 23.017 -10.050 4.212 886 HB2 ARG 108 HB2 ARG 108 25.509 -9.586 5.021 887 HB3 ARG 108 HB3 ARG 108 25.100 -10.833 6.192 888 HG2 ARG 108 HG2 ARG 108 24.582 -12.384 4.408 889 HG3 ARG 108 HG3 ARG 108 24.888 -11.131 3.204 890 HD2 ARG 108 HD2 ARG 108 26.843 -12.454 3.280 891 HD3 ARG 108 HD3 ARG 108 27.225 -10.970 4.153 892 HE ARG 108 HE ARG 108 26.335 -12.786 6.039 893 HH11 ARG 108 HH11 ARG 108 28.947 -12.537 3.751 894 HH12 ARG 108 HH12 ARG 108 30.045 -13.482 4.703 895 HH21 ARG 108 HH21 ARG 108 27.771 -14.032 7.301 896 HH22 ARG 108 HH22 ARG 108 29.374 -14.332 6.722 897 H ASP 109 H ASP 109 23.288 -9.850 7.739 898 HA ASP 109 HA ASP 109 22.286 -12.357 8.399 899 HB2 ASP 109 HB2 ASP 109 23.262 -10.468 9.904 900 HB3 ASP 109 HB3 ASP 109 21.589 -9.932 10.026 901 H LEU 110 H LEU 110 20.532 -9.315 7.869 902 HA LEU 110 HA LEU 110 17.965 -10.249 8.452 903 HB2 LEU 110 HB2 LEU 110 18.379 -7.906 8.244 904 HB3 LEU 110 HB3 LEU 110 18.909 -8.094 6.573 905 HG LEU 110 HG LEU 110 16.539 -8.815 6.044 906 HD11 LEU 110 HD11 LEU 110 15.254 -9.242 7.816 907 HD12 LEU 110 HD12 LEU 110 15.104 -7.493 7.976 908 HD13 LEU 110 HD13 LEU 110 16.320 -8.363 8.912 909 HD21 LEU 110 HD21 LEU 110 16.630 -6.017 7.109 910 HD22 LEU 110 HD22 LEU 110 15.869 -6.627 5.639 911 HD23 LEU 110 HD23 LEU 110 17.626 -6.498 5.735 912 H LEU 111 H LEU 111 19.636 -10.045 5.315 913 HA LEU 111 HA LEU 111 17.559 -11.182 3.793 914 HB2 LEU 111 HB2 LEU 111 20.468 -10.711 3.403 915 HB3 LEU 111 HB3 LEU 111 19.652 -11.815 2.298 916 HG LEU 111 HG LEU 111 18.226 -10.088 1.496 917 HD11 LEU 111 HD11 LEU 111 19.395 -8.329 3.647 918 HD12 LEU 111 HD12 LEU 111 17.758 -8.982 3.612 919 HD13 LEU 111 HD13 LEU 111 18.267 -7.814 2.392 920 HD21 LEU 111 HD21 LEU 111 20.559 -8.365 1.550 921 HD22 LEU 111 HD22 LEU 111 19.797 -9.196 0.193 922 HD23 LEU 111 HD23 LEU 111 20.974 -10.043 1.198 923 H ILE 112 H ILE 112 20.246 -12.596 5.565 924 HA ILE 112 HA ILE 112 20.099 -15.205 4.550 925 HB ILE 112 HB ILE 112 21.021 -14.165 7.223 926 HG12 ILE 112 HG12 ILE 112 22.772 -15.466 5.185 927 HG13 ILE 112 HG13 ILE 112 22.208 -13.828 4.874 928 HG21 ILE 112 HG21 ILE 112 20.325 -16.395 7.662 929 HG22 ILE 112 HG22 ILE 112 21.057 -16.984 6.170 930 HG23 ILE 112 HG23 ILE 112 22.080 -16.427 7.494 931 HD11 ILE 112 HD11 ILE 112 23.811 -13.037 6.167 932 HD12 ILE 112 HD12 ILE 112 23.160 -13.935 7.539 933 HD13 ILE 112 HD13 ILE 112 24.365 -14.680 6.489 934 H SER 113 H SER 113 18.360 -13.625 7.183 935 HA SER 113 HA SER 113 17.051 -15.998 8.082 936 HB2 SER 113 HB2 SER 113 15.461 -14.016 9.022 937 HB3 SER 113 HB3 SER 113 16.968 -14.505 9.797 938 HG SER 113 HG SER 113 17.407 -12.452 9.523 939 H MET 114 H MET 114 16.500 -13.747 5.543 940 HA MET 114 HA MET 114 13.718 -14.578 5.213 941 HB2 MET 114 HB2 MET 114 15.414 -12.420 3.994 942 HB3 MET 114 HB3 MET 114 13.907 -12.909 3.231 943 HG2 MET 114 HG2 MET 114 12.920 -12.523 5.620 944 HG3 MET 114 HG3 MET 114 14.357 -11.523 5.825 945 HE1 MET 114 HE1 MET 114 14.617 -9.443 5.345 946 HE2 MET 114 HE2 MET 114 14.725 -9.272 3.593 947 HE3 MET 114 HE3 MET 114 13.542 -8.328 4.501 948 H GLU 115 H GLU 115 16.747 -15.583 4.258 949 HA GLU 115 HA GLU 115 17.490 -17.098 2.732 950 HB2 GLU 115 HB2 GLU 115 14.595 -17.619 2.062 951 HB3 GLU 115 HB3 GLU 115 15.959 -18.708 1.852 952 HG2 GLU 115 HG2 GLU 115 16.146 -18.384 4.472 953 HG3 GLU 115 HG3 GLU 115 14.428 -18.030 4.295 954 H LEU 116 H LEU 116 17.371 -14.439 1.929 955 HA LEU 116 HA LEU 116 16.455 -14.555 -0.859 956 HB2 LEU 116 HB2 LEU 116 16.706 -12.439 1.146 957 HB3 LEU 116 HB3 LEU 116 17.312 -11.988 -0.447 958 HG LEU 116 HG LEU 116 14.924 -11.361 0.040 959 HD11 LEU 116 HD11 LEU 116 14.572 -13.073 -2.259 960 HD12 LEU 116 HD12 LEU 116 16.139 -12.263 -2.290 961 HD13 LEU 116 HD13 LEU 116 14.658 -11.313 -2.165 962 HD21 LEU 116 HD21 LEU 116 14.593 -13.741 1.113 963 HD22 LEU 116 HD22 LEU 116 14.172 -14.183 -0.542 964 HD23 LEU 116 HD23 LEU 116 13.266 -12.919 0.291 965 H ALA 117 H ALA 117 17.841 -14.380 -2.547 966 HA ALA 117 HA ALA 117 20.570 -15.003 -2.149 967 HB1 ALA 117 HB1 ALA 117 19.117 -14.056 -4.616 968 HB2 ALA 117 HB2 ALA 117 20.772 -14.669 -4.595 969 HB3 ALA 117 HB3 ALA 117 19.434 -15.726 -4.145 970 H LEU 118 H LEU 118 22.384 -13.767 -2.171 971 HA LEU 118 HA LEU 118 22.059 -10.869 -2.561 972 HB2 LEU 118 HB2 LEU 118 22.141 -11.274 -0.187 973 HB3 LEU 118 HB3 LEU 118 23.587 -12.266 -0.371 974 HG LEU 118 HG LEU 118 24.534 -9.980 -1.369 975 HD11 LEU 118 HD11 LEU 118 22.721 -8.952 0.782 976 HD12 LEU 118 HD12 LEU 118 22.219 -8.959 -0.908 977 HD13 LEU 118 HD13 LEU 118 23.650 -8.052 -0.418 978 HD21 LEU 118 HD21 LEU 118 24.596 -9.765 1.500 979 HD22 LEU 118 HD22 LEU 118 25.885 -10.205 0.379 980 HD23 LEU 118 HD23 LEU 118 24.791 -11.444 0.997 981 H GLU 119 H GLU 119 23.562 -9.920 -3.809 982 HA GLU 119 HA GLU 119 26.132 -11.221 -4.246 983 HB2 GLU 119 HB2 GLU 119 24.012 -10.881 -6.325 984 HB3 GLU 119 HB3 GLU 119 25.696 -10.698 -6.797 985 HG2 GLU 119 HG2 GLU 119 24.731 -13.114 -5.311 986 HG3 GLU 119 HG3 GLU 119 24.624 -12.993 -7.066 987 HA PRO 120 HA PRO 120 27.698 -7.130 -4.455 988 HB2 PRO 120 HB2 PRO 120 29.689 -7.362 -6.286 989 HB3 PRO 120 HB3 PRO 120 29.795 -8.046 -4.660 990 HG2 PRO 120 HG2 PRO 120 29.097 -9.394 -7.240 991 HG3 PRO 120 HG3 PRO 120 30.148 -9.962 -5.930 992 HD2 PRO 120 HD2 PRO 120 27.598 -10.823 -6.230 993 HD3 PRO 120 HD3 PRO 120 28.371 -10.663 -4.640 994 H SER 121 H SER 121 28.233 -5.308 -5.973 995 HA SER 121 HA SER 121 26.081 -4.955 -7.818 996 HB2 SER 121 HB2 SER 121 28.434 -3.101 -7.716 997 HB3 SER 121 HB3 SER 121 26.723 -2.723 -7.922 998 HG SER 121 HG SER 121 28.175 -3.226 -5.591 999 H ASP 122 H ASP 122 26.077 -4.977 -10.011 1000 HA ASP 122 HA ASP 122 27.921 -6.559 -11.389 1001 HB2 ASP 122 HB2 ASP 122 25.648 -6.213 -12.202 1002 HB3 ASP 122 HB3 ASP 122 25.982 -4.504 -12.473 1003 H ASP 123 H ASP 123 28.010 -3.221 -10.564 1004 HA ASP 123 HA ASP 123 30.107 -2.650 -12.520 1005 HB2 ASP 123 HB2 ASP 123 28.464 -0.942 -10.668 1006 HB3 ASP 123 HB3 ASP 123 29.927 -0.313 -11.420 1007 H PHE 124 H PHE 124 30.458 -4.459 -10.185 1008 HA PHE 124 HA PHE 124 32.346 -2.985 -8.520 1009 HB2 PHE 124 HB2 PHE 124 30.867 -4.443 -7.313 1010 HB3 PHE 124 HB3 PHE 124 31.260 -5.800 -8.363 1011 HD1 PHE 124 HD2 PHE 124 33.486 -3.341 -6.679 1012 HD2 PHE 124 HD1 PHE 124 32.235 -7.396 -7.008 1013 HE1 PHE 124 HE2 PHE 124 35.276 -4.015 -5.131 1014 HE2 PHE 124 HE1 PHE 124 34.022 -8.076 -5.459 1015 HZ PHE 124 HZ PHE 124 35.546 -6.385 -4.519 1016 H ASN 125 H ASN 125 34.296 -2.718 -9.403 1017 HA ASN 125 HA ASN 125 35.439 -4.811 -11.082 1018 HB2 ASN 125 HB2 ASN 125 37.256 -3.088 -11.455 1019 HB3 ASN 125 HB3 ASN 125 35.651 -2.624 -12.012 1020 HD21 ASN 125 HD21 ASN 125 34.609 -0.931 -11.064 1021 HD22 ASN 125 HD22 ASN 125 35.345 0.106 -9.896 1022 H ASP 126 H ASP 126 38.058 -4.713 -10.739 1023 HA ASP 126 HA ASP 126 38.420 -5.917 -8.127 1024 HB2 ASP 126 HB2 ASP 126 40.055 -5.773 -10.638 1025 HB3 ASP 126 HB3 ASP 126 40.814 -6.249 -9.121 1026 H GLU 127 H GLU 127 37.916 -3.400 -7.569 1027 HA GLU 127 HA GLU 127 40.334 -2.473 -6.356 1028 HB2 GLU 127 HB2 GLU 127 40.232 -1.600 -8.845 1029 HB3 GLU 127 HB3 GLU 127 39.110 -0.431 -8.163 1030 HG2 GLU 127 HG2 GLU 127 41.027 -0.108 -6.397 1031 HG3 GLU 127 HG3 GLU 127 42.026 -0.761 -7.695 1032 HA PRO 128 HA PRO 128 36.278 -1.460 -4.282 1033 HB2 PRO 128 HB2 PRO 128 36.882 -2.687 -1.937 1034 HB3 PRO 128 HB3 PRO 128 36.134 -3.531 -3.298 1035 HG2 PRO 128 HG2 PRO 128 39.005 -3.473 -2.451 1036 HG3 PRO 128 HG3 PRO 128 38.027 -4.848 -2.994 1037 HD2 PRO 128 HD2 PRO 128 39.774 -3.572 -4.622 1038 HD3 PRO 128 HD3 PRO 128 38.273 -4.307 -5.221 1039 H VAL 129 H VAL 129 35.942 -0.052 -2.477 1040 HA VAL 129 HA VAL 129 37.754 2.025 -2.215 1041 HB VAL 129 HB VAL 129 36.471 2.616 -0.111 1042 HG11 VAL 129 HG11 VAL 129 34.469 3.236 -1.322 1043 HG12 VAL 129 HG12 VAL 129 35.882 3.442 -2.359 1044 HG13 VAL 129 HG13 VAL 129 34.825 2.045 -2.573 1045 HG21 VAL 129 HG21 VAL 129 35.134 1.138 0.877 1046 HG22 VAL 129 HG22 VAL 129 34.293 0.806 -0.637 1047 HG23 VAL 129 HG23 VAL 129 35.759 -0.085 -0.230 1048 H LYS 130 H LYS 130 39.618 2.240 -1.180 1049 HA LYS 130 HA LYS 130 40.735 0.160 0.382 1050 HB2 LYS 130 HB2 LYS 130 41.665 3.031 0.238 1051 HB3 LYS 130 HB3 LYS 130 42.626 1.628 0.688 1052 HG2 LYS 130 HG2 LYS 130 42.089 0.763 -1.672 1053 HG3 LYS 130 HG3 LYS 130 41.619 2.430 -2.014 1054 HD2 LYS 130 HD2 LYS 130 43.783 3.237 -1.653 1055 HD3 LYS 130 HD3 LYS 130 44.274 1.788 -0.773 1056 HE2 LYS 130 HE2 LYS 130 45.308 1.686 -2.908 1057 HE3 LYS 130 HE3 LYS 130 43.991 0.514 -2.920 1058 HZ1 LYS 130 HZ1 LYS 130 44.419 2.520 -4.743 1059 HZ2 LYS 130 HZ2 LYS 130 43.116 3.069 -3.815 1060 HZ3 LYS 130 HZ3 LYS 130 43.025 1.571 -4.597 1061 H LEU 131 H LEU 131 39.597 -0.315 2.209 1062 HA LEU 131 HA LEU 131 38.606 1.687 3.991 1063 HB2 LEU 131 HB2 LEU 131 39.058 -1.157 4.792 1064 HB3 LEU 131 HB3 LEU 131 37.771 -0.054 5.276 1065 HG LEU 131 HG LEU 131 38.047 -1.488 2.639 1066 HD11 LEU 131 HD11 LEU 131 36.764 -3.041 3.559 1067 HD12 LEU 131 HD12 LEU 131 35.544 -1.828 3.946 1068 HD13 LEU 131 HD13 LEU 131 36.832 -2.181 5.097 1069 HD21 LEU 131 HD21 LEU 131 37.216 0.800 2.313 1070 HD22 LEU 131 HD22 LEU 131 35.946 0.499 3.499 1071 HD23 LEU 131 HD23 LEU 131 35.974 -0.409 1.987 1072 H SER 132 H SER 132 41.537 -0.192 3.746 1073 HA SER 132 HA SER 132 42.476 0.905 6.306 1074 HB2 SER 132 HB2 SER 132 43.262 -1.502 4.691 1075 HB3 SER 132 HB3 SER 132 44.389 -0.811 5.857 1076 HG SER 132 HG SER 132 43.193 -2.351 6.918 1077 H ALA 133 H ALA 133 42.348 2.721 4.266 1078 HA ALA 133 HA ALA 133 44.684 2.943 2.702 1079 HB1 ALA 133 HB1 ALA 133 43.732 5.540 3.228 1080 HB2 ALA 133 HB2 ALA 133 43.432 4.540 1.806 1081 HB3 ALA 133 HB3 ALA 133 42.322 4.481 3.175 Start of MODEL 10 1 H MET 1 H MET 1 -0.276 -2.180 -1.260 2 HA MET 1 HA MET 1 1.578 -0.397 -2.691 3 HB2 MET 1 HB2 MET 1 2.284 0.486 -0.465 4 HB3 MET 1 HB3 MET 1 0.634 0.904 -0.906 5 HG2 MET 1 HG2 MET 1 1.023 -1.551 0.697 6 HG3 MET 1 HG3 MET 1 1.300 -0.007 1.498 7 HE1 MET 1 HE1 MET 1 -2.028 0.856 2.705 8 HE2 MET 1 HE2 MET 1 -0.834 -0.311 3.275 9 HE3 MET 1 HE3 MET 1 -0.308 1.230 2.596 10 H THR 2 H THR 2 2.135 -2.772 -3.307 11 HA THR 2 HA THR 2 4.132 -3.766 -1.378 12 HB THR 2 HB THR 2 3.830 -6.012 -2.395 13 HG1 THR 2 HG1 THR 2 2.650 -6.189 -4.135 14 HG21 THR 2 HG21 THR 2 1.131 -5.823 -1.629 15 HG22 THR 2 HG22 THR 2 1.996 -4.609 -0.686 16 HG23 THR 2 HG23 THR 2 2.503 -6.297 -0.628 17 H LEU 3 H LEU 3 6.013 -4.829 -2.335 18 HA LEU 3 HA LEU 3 7.181 -3.259 -4.375 19 HB2 LEU 3 HB2 LEU 3 8.194 -5.961 -3.566 20 HB3 LEU 3 HB3 LEU 3 9.111 -4.547 -4.084 21 HG LEU 3 HG LEU 3 7.734 -4.932 -1.427 22 HD11 LEU 3 HD11 LEU 3 10.207 -4.547 -0.722 23 HD12 LEU 3 HD12 LEU 3 10.565 -5.066 -2.369 24 HD13 LEU 3 HD13 LEU 3 9.691 -6.140 -1.276 25 HD21 LEU 3 HD21 LEU 3 7.502 -2.661 -1.759 26 HD22 LEU 3 HD22 LEU 3 8.975 -2.542 -2.723 27 HD23 LEU 3 HD23 LEU 3 9.080 -2.750 -0.974 28 HA PRO 4 HA PRO 4 6.015 -5.302 -8.083 29 HB2 PRO 4 HB2 PRO 4 8.247 -4.961 -9.591 30 HB3 PRO 4 HB3 PRO 4 7.135 -3.641 -9.207 31 HG2 PRO 4 HG2 PRO 4 9.745 -4.353 -7.925 32 HG3 PRO 4 HG3 PRO 4 9.119 -2.756 -8.375 33 HD2 PRO 4 HD2 PRO 4 9.039 -3.689 -5.835 34 HD3 PRO 4 HD3 PRO 4 7.797 -2.605 -6.493 35 H SER 5 H SER 5 8.889 -6.304 -6.394 36 HA SER 5 HA SER 5 9.451 -8.595 -7.996 37 HB2 SER 5 HB2 SER 5 10.495 -9.094 -5.455 38 HB3 SER 5 HB3 SER 5 11.345 -8.356 -6.813 39 HG SER 5 HG SER 5 10.132 -7.144 -4.593 40 H GLY 6 H GLY 6 7.132 -7.900 -5.584 41 HA2 GLY 6 HA2 GLY 6 5.261 -9.431 -5.367 42 HA3 GLY 6 HA3 GLY 6 6.406 -10.758 -5.493 43 H HIS 7 H HIS 7 7.853 -8.481 -3.617 44 HA HIS 7 HA HIS 7 7.142 -9.932 -1.183 45 HB2 HIS 7 HB2 HIS 7 9.524 -8.632 -2.186 46 HB3 HIS 7 HB3 HIS 7 9.119 -8.036 -0.579 47 HD1 HIS 7 HD1 HIS 7 8.860 -11.569 -1.964 48 HD2 HIS 7 HD2 HIS 7 10.756 -9.441 1.058 49 HE1 HIS 7 HE1 HIS 7 10.085 -13.289 -0.597 50 HA PRO 8 HA PRO 8 4.694 -6.721 0.538 51 HB2 PRO 8 HB2 PRO 8 5.248 -7.009 3.180 52 HB3 PRO 8 HB3 PRO 8 4.254 -8.158 2.277 53 HG2 PRO 8 HG2 PRO 8 7.145 -8.339 3.031 54 HG3 PRO 8 HG3 PRO 8 5.892 -9.593 3.091 55 HD2 PRO 8 HD2 PRO 8 7.709 -9.443 1.088 56 HD3 PRO 8 HD3 PRO 8 6.056 -10.042 0.836 57 H LYS 9 H LYS 9 5.042 -4.600 0.481 58 HA LYS 9 HA LYS 9 7.618 -3.450 0.816 59 HB2 LYS 9 HB2 LYS 9 5.756 -2.576 -0.658 60 HB3 LYS 9 HB3 LYS 9 4.979 -1.983 0.804 61 HG2 LYS 9 HG2 LYS 9 6.947 -0.592 1.269 62 HG3 LYS 9 HG3 LYS 9 7.688 -1.164 -0.227 63 HD2 LYS 9 HD2 LYS 9 6.718 0.938 -0.726 64 HD3 LYS 9 HD3 LYS 9 5.650 -0.278 -1.430 65 HE2 LYS 9 HE2 LYS 9 4.360 1.452 -0.309 66 HE3 LYS 9 HE3 LYS 9 4.172 -0.094 0.516 67 HZ1 LYS 9 HZ1 LYS 9 4.575 1.970 1.930 68 HZ2 LYS 9 HZ2 LYS 9 6.180 1.882 1.404 69 HZ3 LYS 9 HZ3 LYS 9 5.504 0.598 2.275 70 H SER 10 H SER 10 4.639 -3.264 2.756 71 HA SER 10 HA SER 10 5.578 -1.635 4.795 72 HB2 SER 10 HB2 SER 10 3.875 -3.122 6.198 73 HB3 SER 10 HB3 SER 10 3.311 -1.979 4.979 74 HG SER 10 HG SER 10 2.547 -4.314 4.968 75 H ARG 11 H ARG 11 5.776 -5.158 4.474 76 HA ARG 11 HA ARG 11 6.928 -5.683 6.980 77 HB2 ARG 11 HB2 ARG 11 6.004 -7.245 5.004 78 HB3 ARG 11 HB3 ARG 11 7.727 -7.376 4.676 79 HG2 ARG 11 HG2 ARG 11 7.180 -9.190 6.072 80 HG3 ARG 11 HG3 ARG 11 8.016 -8.022 7.097 81 HD2 ARG 11 HD2 ARG 11 5.956 -7.276 8.047 82 HD3 ARG 11 HD3 ARG 11 5.018 -8.206 6.879 83 HE ARG 11 HE ARG 11 5.292 -10.057 8.194 84 HH11 ARG 11 HH11 ARG 11 7.620 -7.645 9.132 85 HH12 ARG 11 HH12 ARG 11 8.169 -8.526 10.519 86 HH21 ARG 11 HH21 ARG 11 6.005 -11.227 10.017 87 HH22 ARG 11 HH22 ARG 11 7.250 -10.564 11.021 88 H LEU 12 H LEU 12 8.414 -5.069 3.816 89 HA LEU 12 HA LEU 12 11.079 -5.448 4.556 90 HB2 LEU 12 HB2 LEU 12 9.639 -4.120 2.367 91 HB3 LEU 12 HB3 LEU 12 11.259 -3.497 2.673 92 HG LEU 12 HG LEU 12 11.323 -5.164 0.926 93 HD11 LEU 12 HD11 LEU 12 12.592 -6.940 2.694 94 HD12 LEU 12 HD12 LEU 12 12.781 -5.328 3.382 95 HD13 LEU 12 HD13 LEU 12 13.326 -5.652 1.737 96 HD21 LEU 12 HD21 LEU 12 9.658 -6.675 2.839 97 HD22 LEU 12 HD22 LEU 12 10.854 -7.606 1.937 98 HD23 LEU 12 HD23 LEU 12 9.637 -6.662 1.075 99 H ILE 13 H ILE 13 9.135 -2.472 4.526 100 HA ILE 13 HA ILE 13 11.123 -0.716 5.400 101 HB ILE 13 HB ILE 13 8.147 -0.586 5.902 102 HG12 ILE 13 HG12 ILE 13 8.808 -0.666 3.515 103 HG13 ILE 13 HG13 ILE 13 8.089 0.878 3.959 104 HG21 ILE 13 HG21 ILE 13 8.541 1.842 6.207 105 HG22 ILE 13 HG22 ILE 13 9.285 0.850 7.460 106 HG23 ILE 13 HG23 ILE 13 10.276 1.531 6.170 107 HD11 ILE 13 HD11 ILE 13 10.352 1.837 4.137 108 HD12 ILE 13 HD12 ILE 13 11.015 0.299 3.584 109 HD13 ILE 13 HD13 ILE 13 9.973 1.244 2.520 110 H LYS 14 H LYS 14 8.814 -2.669 7.246 111 HA LYS 14 HA LYS 14 9.579 -1.688 9.794 112 HB2 LYS 14 HB2 LYS 14 8.108 -4.144 8.870 113 HB3 LYS 14 HB3 LYS 14 8.489 -3.893 10.569 114 HG2 LYS 14 HG2 LYS 14 6.985 -1.876 8.927 115 HG3 LYS 14 HG3 LYS 14 6.192 -3.178 9.816 116 HD2 LYS 14 HD2 LYS 14 6.724 -2.284 11.867 117 HD3 LYS 14 HD3 LYS 14 8.140 -1.432 11.247 118 HE2 LYS 14 HE2 LYS 14 6.706 0.172 10.119 119 HE3 LYS 14 HE3 LYS 14 5.273 -0.702 10.658 120 HZ1 LYS 14 HZ1 LYS 14 6.683 1.305 12.003 121 HZ2 LYS 14 HZ2 LYS 14 6.842 -0.120 12.900 122 HZ3 LYS 14 HZ3 LYS 14 5.304 0.471 12.517 123 H LYS 15 H LYS 15 10.577 -4.485 7.874 124 HA LYS 15 HA LYS 15 12.240 -5.655 9.834 125 HB2 LYS 15 HB2 LYS 15 11.940 -5.911 6.875 126 HB3 LYS 15 HB3 LYS 15 13.375 -6.592 7.631 127 HG2 LYS 15 HG2 LYS 15 11.359 -7.518 9.239 128 HG3 LYS 15 HG3 LYS 15 10.624 -7.544 7.635 129 HD2 LYS 15 HD2 LYS 15 12.970 -8.626 7.006 130 HD3 LYS 15 HD3 LYS 15 12.918 -9.096 8.707 131 HE2 LYS 15 HE2 LYS 15 10.908 -9.740 6.557 132 HE3 LYS 15 HE3 LYS 15 11.958 -10.866 7.417 133 HZ1 LYS 15 HZ1 LYS 15 9.426 -9.752 8.207 134 HZ2 LYS 15 HZ2 LYS 15 10.603 -9.657 9.417 135 HZ3 LYS 15 HZ3 LYS 15 10.204 -11.156 8.743 136 H PHE 16 H PHE 16 12.961 -3.478 7.118 137 HA PHE 16 HA PHE 16 15.725 -3.324 7.486 138 HB2 PHE 16 HB2 PHE 16 13.732 -1.394 6.308 139 HB3 PHE 16 HB3 PHE 16 15.457 -1.044 6.345 140 HD1 PHE 16 HD2 PHE 16 16.650 -3.631 5.740 141 HD2 PHE 16 HD1 PHE 16 13.198 -1.763 4.093 142 HE1 PHE 16 HE2 PHE 16 16.955 -4.909 3.660 143 HE2 PHE 16 HE1 PHE 16 13.497 -3.038 2.011 144 HZ PHE 16 HZ PHE 16 15.377 -4.614 1.792 145 H THR 17 H THR 17 13.120 -1.859 9.231 146 HA THR 17 HA THR 17 14.477 0.309 10.398 147 HB THR 17 HB THR 17 12.220 -1.302 11.607 148 HG1 THR 17 HG1 THR 17 10.888 0.223 10.567 149 HG21 THR 17 HG21 THR 17 13.225 0.129 13.258 150 HG22 THR 17 HG22 THR 17 11.705 0.861 12.744 151 HG23 THR 17 HG23 THR 17 13.236 1.490 12.138 152 H ALA 18 H ALA 18 14.668 -3.074 10.971 153 HA ALA 18 HA ALA 18 15.688 -2.880 13.656 154 HB1 ALA 18 HB1 ALA 18 15.852 -5.213 13.625 155 HB2 ALA 18 HB2 ALA 18 14.443 -4.862 12.623 156 HB3 ALA 18 HB3 ALA 18 15.983 -5.272 11.867 157 H LEU 19 H LEU 19 16.976 -2.212 10.659 158 HA LEU 19 HA LEU 19 19.705 -2.939 11.464 159 HB2 LEU 19 HB2 LEU 19 18.732 -1.999 8.773 160 HB3 LEU 19 HB3 LEU 19 20.331 -2.633 9.156 161 HG LEU 19 HG LEU 19 17.751 -4.197 9.190 162 HD11 LEU 19 HD11 LEU 19 19.832 -3.723 7.156 163 HD12 LEU 19 HD12 LEU 19 18.129 -4.136 6.968 164 HD13 LEU 19 HD13 LEU 19 19.303 -5.394 7.356 165 HD21 LEU 19 HD21 LEU 19 18.857 -5.554 10.572 166 HD22 LEU 19 HD22 LEU 19 20.383 -4.706 10.318 167 HD23 LEU 19 HD23 LEU 19 19.869 -5.959 9.187 168 H GLY 20 H GLY 20 17.715 -0.442 11.881 169 HA2 GLY 20 HA2 GLY 20 19.544 1.411 12.707 170 HA3 GLY 20 HA3 GLY 20 19.346 1.749 10.993 171 HA PRO 21 HA PRO 21 16.192 4.328 13.056 172 HB2 PRO 21 HB2 PRO 21 16.281 6.294 11.186 173 HB3 PRO 21 HB3 PRO 21 17.423 6.196 12.532 174 HG2 PRO 21 HG2 PRO 21 17.769 5.330 9.687 175 HG3 PRO 21 HG3 PRO 21 18.906 6.192 10.740 176 HD2 PRO 21 HD2 PRO 21 19.088 3.532 10.266 177 HD3 PRO 21 HD3 PRO 21 19.571 4.262 11.811 178 H TYR 22 H TYR 22 14.135 5.224 12.186 179 HA TYR 22 HA TYR 22 12.732 3.291 10.711 180 HB2 TYR 22 HB2 TYR 22 11.993 6.164 11.301 181 HB3 TYR 22 HB3 TYR 22 10.883 4.942 10.694 182 HD1 TYR 22 HD2 TYR 22 10.310 2.981 12.139 183 HD2 TYR 22 HD1 TYR 22 12.525 6.303 13.609 184 HE1 TYR 22 HE2 TYR 22 9.798 2.294 14.444 185 HE2 TYR 22 HE1 TYR 22 12.021 5.624 15.919 186 HH TYR 22 HH TYR 22 10.708 2.586 16.697 187 H ILE 23 H ILE 23 12.672 2.915 8.605 188 HA ILE 23 HA ILE 23 14.011 4.556 6.721 189 HB ILE 23 HB ILE 23 12.142 2.218 6.362 190 HG12 ILE 23 HG12 ILE 23 14.399 1.244 5.514 191 HG13 ILE 23 HG13 ILE 23 15.122 2.601 6.369 192 HG21 ILE 23 HG21 ILE 23 11.884 3.466 4.375 193 HG22 ILE 23 HG22 ILE 23 13.604 3.846 4.302 194 HG23 ILE 23 HG23 ILE 23 13.052 2.199 4.001 195 HD11 ILE 23 HD11 ILE 23 14.339 1.831 8.450 196 HD12 ILE 23 HD12 ILE 23 13.252 0.666 7.693 197 HD13 ILE 23 HD13 ILE 23 14.996 0.420 7.620 198 H ARG 24 H ARG 24 13.252 5.971 5.206 199 HA ARG 24 HA ARG 24 10.632 7.106 5.716 200 HB2 ARG 24 HB2 ARG 24 12.771 7.971 3.762 201 HB3 ARG 24 HB3 ARG 24 11.335 8.888 4.196 202 HG2 ARG 24 HG2 ARG 24 13.267 8.061 6.316 203 HG3 ARG 24 HG3 ARG 24 13.616 9.454 5.291 204 HD2 ARG 24 HD2 ARG 24 11.109 9.079 6.925 205 HD3 ARG 24 HD3 ARG 24 12.487 10.072 7.397 206 HE ARG 24 HE ARG 24 11.454 10.806 4.839 207 HH11 ARG 24 HH11 ARG 24 10.969 11.149 8.270 208 HH12 ARG 24 HH12 ARG 24 10.143 12.666 8.133 209 HH21 ARG 24 HH21 ARG 24 10.369 12.803 4.647 210 HH22 ARG 24 HH22 ARG 24 9.802 13.606 6.072 211 H GLU 25 H GLU 25 8.873 6.520 4.645 212 HA GLU 25 HA GLU 25 8.738 4.615 2.659 213 HB2 GLU 25 HB2 GLU 25 6.873 6.798 3.515 214 HB3 GLU 25 HB3 GLU 25 6.477 5.815 2.113 215 HG2 GLU 25 HG2 GLU 25 6.537 3.808 3.454 216 HG3 GLU 25 HG3 GLU 25 7.045 4.736 4.864 217 H GLY 26 H GLY 26 8.151 8.094 2.096 218 HA2 GLY 26 HA2 GLY 26 9.295 9.331 0.384 219 HA3 GLY 26 HA3 GLY 26 9.547 7.823 -0.482 220 H GLN 27 H GLN 27 6.434 8.268 0.872 221 HA GLN 27 HA GLN 27 4.400 8.229 -0.202 222 HB2 GLN 27 HB2 GLN 27 3.869 10.369 -1.243 223 HB3 GLN 27 HB3 GLN 27 4.821 10.614 0.215 224 HG2 GLN 27 HG2 GLN 27 6.731 11.202 -0.986 225 HG3 GLN 27 HG3 GLN 27 6.108 10.517 -2.486 226 HE21 GLN 27 HE21 GLN 27 5.837 12.108 -3.874 227 HE22 GLN 27 HE22 GLN 27 5.075 13.624 -3.547 228 H CYS 28 H CYS 28 6.158 6.544 -1.534 229 HA CYS 28 HA CYS 28 5.113 6.751 -4.255 230 HB2 CYS 28 HB2 CYS 28 7.547 7.659 -3.997 231 HB3 CYS 28 HB3 CYS 28 7.983 5.959 -3.879 232 HG CYS 28 HG CYS 28 8.455 6.928 -6.492 233 H GLU 29 H GLU 29 5.177 4.722 -5.429 234 HA GLU 29 HA GLU 29 5.168 2.411 -3.604 235 HB2 GLU 29 HB2 GLU 29 3.539 1.382 -5.100 236 HB3 GLU 29 HB3 GLU 29 2.966 2.949 -4.545 237 HG2 GLU 29 HG2 GLU 29 4.004 3.820 -6.759 238 HG3 GLU 29 HG3 GLU 29 3.907 2.131 -7.255 239 H ASP 30 H ASP 30 6.141 3.566 -6.783 240 HA ASP 30 HA ASP 30 7.776 1.137 -7.113 241 HB2 ASP 30 HB2 ASP 30 7.805 1.792 -9.559 242 HB3 ASP 30 HB3 ASP 30 6.242 1.279 -8.930 243 H ASN 31 H ASN 31 9.543 1.883 -5.924 244 HA ASN 31 HA ASN 31 11.381 3.509 -7.396 245 HB2 ASN 31 HB2 ASN 31 11.604 5.354 -5.949 246 HB3 ASN 31 HB3 ASN 31 9.865 5.157 -6.141 247 HD21 ASN 31 HD21 ASN 31 11.658 6.271 -3.980 248 HD22 ASN 31 HD22 ASN 31 11.095 5.511 -2.534 249 H ARG 32 H ARG 32 13.330 4.031 -5.713 250 HA ARG 32 HA ARG 32 14.030 1.400 -4.636 251 HB2 ARG 32 HB2 ARG 32 15.759 3.805 -5.249 252 HB3 ARG 32 HB3 ARG 32 16.351 2.265 -4.640 253 HG2 ARG 32 HG2 ARG 32 15.869 1.155 -6.639 254 HG3 ARG 32 HG3 ARG 32 14.804 2.446 -7.199 255 HD2 ARG 32 HD2 ARG 32 17.000 3.882 -7.026 256 HD3 ARG 32 HD3 ARG 32 17.780 2.308 -7.173 257 HE ARG 32 HE ARG 32 17.169 2.252 -9.377 258 HH11 ARG 32 HH11 ARG 32 15.306 4.696 -7.740 259 HH12 ARG 32 HH12 ARG 32 14.604 5.321 -9.196 260 HH21 ARG 32 HH21 ARG 32 16.252 3.067 -11.300 261 HH22 ARG 32 HH22 ARG 32 15.142 4.393 -11.220 262 H PHE 33 H PHE 33 15.247 1.297 -2.605 263 HA PHE 33 HA PHE 33 13.949 2.870 -0.575 264 HB2 PHE 33 HB2 PHE 33 16.013 0.669 -0.449 265 HB3 PHE 33 HB3 PHE 33 15.366 1.467 0.980 266 HD1 PHE 33 HD1 PHE 33 12.824 1.406 1.305 267 HD2 PHE 33 HD2 PHE 33 14.921 -1.157 -1.369 268 HE1 PHE 33 HE1 PHE 33 10.926 -0.159 1.322 269 HE2 PHE 33 HE2 PHE 33 13.026 -2.726 -1.357 270 HZ PHE 33 HZ PHE 33 11.024 -2.227 -0.011 271 H PHE 34 H PHE 34 14.775 4.497 0.622 272 HA PHE 34 HA PHE 34 17.556 5.301 0.065 273 HB2 PHE 34 HB2 PHE 34 16.026 6.872 -0.974 274 HB3 PHE 34 HB3 PHE 34 15.139 7.058 0.535 275 HD1 PHE 34 HD2 PHE 34 16.046 8.366 2.360 276 HD2 PHE 34 HD1 PHE 34 18.163 7.938 -1.308 277 HE1 PHE 34 HE2 PHE 34 17.508 10.242 2.989 278 HE2 PHE 34 HE1 PHE 34 19.628 9.814 -0.684 279 HZ PHE 34 HZ PHE 34 19.301 10.969 1.466 280 H PHE 35 H PHE 35 18.848 5.308 1.774 281 HA PHE 35 HA PHE 35 17.639 5.580 4.448 282 HB2 PHE 35 HB2 PHE 35 20.098 3.977 3.718 283 HB3 PHE 35 HB3 PHE 35 19.368 4.098 5.316 284 HD1 PHE 35 HD1 PHE 35 16.469 3.949 4.278 285 HD2 PHE 35 HD2 PHE 35 19.947 1.606 3.547 286 HE1 PHE 35 HE1 PHE 35 15.049 2.005 3.775 287 HE2 PHE 35 HE2 PHE 35 18.531 -0.343 3.042 288 HZ PHE 35 HZ PHE 35 16.079 -0.145 3.156 289 H ASP 36 H ASP 36 18.449 7.099 5.768 290 HA ASP 36 HA ASP 36 20.756 8.640 4.793 291 HB2 ASP 36 HB2 ASP 36 19.841 10.418 6.382 292 HB3 ASP 36 HB3 ASP 36 18.883 10.075 4.943 293 H CYS 37 H CYS 37 22.595 8.128 5.771 294 HA CYS 37 HA CYS 37 22.521 7.323 8.598 295 HB2 CYS 37 HB2 CYS 37 24.265 6.596 6.296 296 HB3 CYS 37 HB3 CYS 37 25.002 6.638 7.893 297 HG CYS 37 HG CYS 37 22.862 4.420 6.584 298 H LEU 38 H LEU 38 23.546 8.488 10.120 299 HA LEU 38 HA LEU 38 25.022 10.871 9.219 300 HB2 LEU 38 HB2 LEU 38 23.823 10.533 11.945 301 HB3 LEU 38 HB3 LEU 38 24.284 12.020 11.119 302 HG LEU 38 HG LEU 38 21.873 10.292 10.588 303 HD11 LEU 38 HD11 LEU 38 20.963 12.792 10.908 304 HD12 LEU 38 HD12 LEU 38 22.392 12.864 11.939 305 HD13 LEU 38 HD13 LEU 38 21.148 11.650 12.239 306 HD21 LEU 38 HD21 LEU 38 21.680 12.596 9.050 307 HD22 LEU 38 HD22 LEU 38 21.970 10.957 8.467 308 HD23 LEU 38 HD23 LEU 38 23.331 12.031 8.794 309 H ALA 39 H ALA 39 27.105 10.169 9.169 310 HA ALA 39 HA ALA 39 28.194 8.646 11.392 311 HB1 ALA 39 HB1 ALA 39 30.329 9.193 9.804 312 HB2 ALA 39 HB2 ALA 39 29.267 7.798 9.614 313 HB3 ALA 39 HB3 ALA 39 29.006 9.244 8.639 314 H VAL 40 H VAL 40 29.485 11.479 9.658 315 HA VAL 40 HA VAL 40 30.112 12.685 12.273 316 HB VAL 40 HB VAL 40 32.100 13.738 10.968 317 HG11 VAL 40 HG11 VAL 40 31.820 11.125 12.290 318 HG12 VAL 40 HG12 VAL 40 33.295 11.343 11.347 319 HG13 VAL 40 HG13 VAL 40 32.903 12.469 12.647 320 HG21 VAL 40 HG21 VAL 40 31.063 12.385 8.873 321 HG22 VAL 40 HG22 VAL 40 32.759 12.853 9.001 322 HG23 VAL 40 HG23 VAL 40 32.258 11.222 9.447 323 H CYS 41 H CYS 41 29.881 14.895 12.456 324 HA CYS 41 HA CYS 41 28.162 16.129 10.481 325 HB2 CYS 41 HB2 CYS 41 28.012 17.980 12.122 326 HB3 CYS 41 HB3 CYS 41 27.605 16.420 12.826 327 HG CYS 41 HG CYS 41 29.139 16.780 14.843 328 H VAL 42 H VAL 42 28.776 17.526 8.963 329 HA VAL 42 HA VAL 42 31.571 18.200 8.701 330 HB VAL 42 HB VAL 42 30.298 17.578 6.713 331 HG11 VAL 42 HG11 VAL 42 28.114 18.423 7.374 332 HG12 VAL 42 HG12 VAL 42 28.701 20.082 7.244 333 HG13 VAL 42 HG13 VAL 42 28.581 19.072 5.803 334 HG21 VAL 42 HG21 VAL 42 31.732 18.841 5.583 335 HG22 VAL 42 HG22 VAL 42 30.691 20.246 5.808 336 HG23 VAL 42 HG23 VAL 42 31.937 19.873 6.999 337 H ASN 43 H ASN 43 28.585 19.824 9.555 338 HA ASN 43 HA ASN 43 30.153 22.224 10.214 339 HB2 ASN 43 HB2 ASN 43 27.572 22.023 8.699 340 HB3 ASN 43 HB3 ASN 43 27.910 23.456 9.666 341 HD21 ASN 43 HD21 ASN 43 27.698 24.372 7.435 342 HD22 ASN 43 HD22 ASN 43 29.142 24.491 6.494 343 H VAL 44 H VAL 44 30.194 22.269 12.368 344 HA VAL 44 HA VAL 44 27.664 21.820 13.813 345 HB VAL 44 HB VAL 44 29.364 20.035 14.213 346 HG11 VAL 44 HG11 VAL 44 31.188 22.031 14.227 347 HG12 VAL 44 HG12 VAL 44 30.964 21.779 15.959 348 HG13 VAL 44 HG13 VAL 44 31.460 20.436 14.929 349 HG21 VAL 44 HG21 VAL 44 27.763 21.418 16.045 350 HG22 VAL 44 HG22 VAL 44 28.387 19.775 16.194 351 HG23 VAL 44 HG23 VAL 44 29.294 21.127 16.872 352 H LYS 45 H LYS 45 30.001 24.042 12.983 353 HA LYS 45 HA LYS 45 30.263 25.542 15.367 354 HB2 LYS 45 HB2 LYS 45 30.914 25.895 12.520 355 HB3 LYS 45 HB3 LYS 45 30.584 27.394 13.378 356 HG2 LYS 45 HG2 LYS 45 32.340 27.011 14.915 357 HG3 LYS 45 HG3 LYS 45 32.539 25.342 14.376 358 HD2 LYS 45 HD2 LYS 45 32.948 27.683 12.534 359 HD3 LYS 45 HD3 LYS 45 34.246 27.043 13.544 360 HE2 LYS 45 HE2 LYS 45 32.668 25.209 11.787 361 HE3 LYS 45 HE3 LYS 45 33.961 26.191 11.100 362 HZ1 LYS 45 HZ1 LYS 45 34.380 24.449 13.457 363 HZ2 LYS 45 HZ2 LYS 45 35.549 25.152 12.458 364 HZ3 LYS 45 HZ3 LYS 45 34.585 23.890 11.874 365 HA PRO 46 HA PRO 46 26.747 28.331 13.573 366 HB2 PRO 46 HB2 PRO 46 25.358 27.367 11.449 367 HB3 PRO 46 HB3 PRO 46 26.815 28.354 11.277 368 HG2 PRO 46 HG2 PRO 46 26.510 25.380 11.108 369 HG3 PRO 46 HG3 PRO 46 27.458 26.468 10.077 370 HD2 PRO 46 HD2 PRO 46 28.575 24.992 12.054 371 HD3 PRO 46 HD3 PRO 46 29.195 26.589 11.588 372 H ALA 47 H ALA 47 24.261 28.127 13.415 373 HA ALA 47 HA ALA 47 23.299 26.636 15.524 374 HB1 ALA 47 HB1 ALA 47 21.064 26.901 14.006 375 HB2 ALA 47 HB2 ALA 47 21.735 28.170 15.031 376 HB3 ALA 47 HB3 ALA 47 22.105 28.141 13.307 377 HA PRO 48 HA PRO 48 22.694 22.500 14.189 378 HB2 PRO 48 HB2 PRO 48 20.315 21.860 15.331 379 HB3 PRO 48 HB3 PRO 48 21.804 22.062 16.262 380 HG2 PRO 48 HG2 PRO 48 19.553 23.991 15.848 381 HG3 PRO 48 HG3 PRO 48 20.442 23.612 17.334 382 HD2 PRO 48 HD2 PRO 48 20.956 25.819 15.852 383 HD3 PRO 48 HD3 PRO 48 22.217 24.969 16.768 384 H GLU 49 H GLU 49 20.210 24.840 13.477 385 HA GLU 49 HA GLU 49 18.542 23.256 11.861 386 HB2 GLU 49 HB2 GLU 49 17.608 25.306 11.058 387 HB3 GLU 49 HB3 GLU 49 17.992 25.531 12.758 388 HG2 GLU 49 HG2 GLU 49 20.258 26.449 11.723 389 HG3 GLU 49 HG3 GLU 49 19.192 26.775 10.357 390 H LYS 50 H LYS 50 21.636 24.681 11.291 391 HA LYS 50 HA LYS 50 21.444 24.025 8.427 392 HB2 LYS 50 HB2 LYS 50 23.344 25.881 9.871 393 HB3 LYS 50 HB3 LYS 50 23.418 25.512 8.153 394 HG2 LYS 50 HG2 LYS 50 21.613 26.798 7.655 395 HG3 LYS 50 HG3 LYS 50 20.848 26.529 9.223 396 HD2 LYS 50 HD2 LYS 50 21.582 28.842 9.003 397 HD3 LYS 50 HD3 LYS 50 22.491 28.017 10.271 398 HE2 LYS 50 HE2 LYS 50 23.987 29.366 8.931 399 HE3 LYS 50 HE3 LYS 50 24.335 27.656 8.679 400 HZ1 LYS 50 HZ1 LYS 50 23.286 27.699 6.586 401 HZ2 LYS 50 HZ2 LYS 50 24.267 29.077 6.628 402 HZ3 LYS 50 HZ3 LYS 50 22.597 29.220 6.859 403 H ARG 51 H ARG 51 22.123 22.346 10.918 404 HA ARG 51 HA ARG 51 24.854 21.594 10.644 405 HB2 ARG 51 HB2 ARG 51 23.187 21.235 12.629 406 HB3 ARG 51 HB3 ARG 51 22.770 19.758 11.770 407 HG2 ARG 51 HG2 ARG 51 24.528 18.738 12.637 408 HG3 ARG 51 HG3 ARG 51 25.603 19.938 11.916 409 HD2 ARG 51 HD2 ARG 51 25.786 21.130 13.840 410 HD3 ARG 51 HD3 ARG 51 24.145 20.748 14.359 411 HE ARG 51 HE ARG 51 25.812 18.449 14.436 412 HH11 ARG 51 HH11 ARG 51 25.070 21.395 16.135 413 HH12 ARG 51 HH12 ARG 51 25.561 20.783 17.680 414 HH21 ARG 51 HH21 ARG 51 26.462 17.630 16.464 415 HH22 ARG 51 HH22 ARG 51 26.353 18.641 17.865 416 H GLU 52 H GLU 52 25.758 19.788 9.660 417 HA GLU 52 HA GLU 52 24.028 18.218 7.887 418 HB2 GLU 52 HB2 GLU 52 26.349 19.927 7.105 419 HB3 GLU 52 HB3 GLU 52 26.085 18.419 6.240 420 HG2 GLU 52 HG2 GLU 52 23.782 19.167 5.731 421 HG3 GLU 52 HG3 GLU 52 24.154 20.712 6.494 422 H PHE 53 H PHE 53 24.605 16.108 7.651 423 HA PHE 53 HA PHE 53 27.066 15.245 9.023 424 HB2 PHE 53 HB2 PHE 53 24.520 13.630 8.869 425 HB3 PHE 53 HB3 PHE 53 25.939 13.313 9.862 426 HD1 PHE 53 HD2 PHE 53 26.557 15.385 11.459 427 HD2 PHE 53 HD1 PHE 53 22.686 14.480 9.936 428 HE1 PHE 53 HE2 PHE 53 25.537 16.635 13.317 429 HE2 PHE 53 HE1 PHE 53 21.661 15.730 11.791 430 HZ PHE 53 HZ PHE 53 23.086 16.810 13.484 431 H TRP 54 H TRP 54 28.232 13.555 8.115 432 HA TRP 54 HA TRP 54 27.896 13.249 5.266 433 HB2 TRP 54 HB2 TRP 54 29.960 12.213 7.212 434 HB3 TRP 54 HB3 TRP 54 29.989 11.841 5.491 435 HD1 TRP 54 HD1 TRP 54 31.424 14.201 7.853 436 HE1 TRP 54 HE1 TRP 54 32.326 16.296 6.661 437 HE3 TRP 54 HE3 TRP 54 29.164 13.586 3.308 438 HZ2 TRP 54 HZ2 TRP 54 32.108 17.526 4.130 439 HZ3 TRP 54 HZ3 TRP 54 29.562 15.268 1.556 440 HH2 TRP 54 HH2 TRP 54 31.003 17.197 1.961 441 H GLY 55 H GLY 55 26.966 11.595 4.234 442 HA2 GLY 55 HA2 GLY 55 26.785 8.980 5.495 443 HA3 GLY 55 HA3 GLY 55 25.253 9.794 5.212 444 H TRP 56 H TRP 56 25.646 7.390 4.048 445 HA TRP 56 HA TRP 56 26.218 8.050 1.233 446 HB2 TRP 56 HB2 TRP 56 26.458 5.471 1.052 447 HB3 TRP 56 HB3 TRP 56 27.773 6.396 1.770 448 HD1 TRP 56 HD1 TRP 56 28.506 5.731 4.157 449 HE1 TRP 56 HE1 TRP 56 27.646 4.066 5.922 450 HE3 TRP 56 HE3 TRP 56 24.096 4.403 1.939 451 HZ2 TRP 56 HZ2 TRP 56 25.395 2.409 6.321 452 HZ3 TRP 56 HZ3 TRP 56 22.647 2.772 3.077 453 HH2 TRP 56 HH2 TRP 56 23.285 1.797 5.222 454 H TRP 57 H TRP 57 24.871 7.066 -0.380 455 HA TRP 57 HA TRP 57 22.139 6.605 0.600 456 HB2 TRP 57 HB2 TRP 57 22.952 7.285 -2.227 457 HB3 TRP 57 HB3 TRP 57 21.342 7.369 -1.518 458 HD1 TRP 57 HD1 TRP 57 22.372 8.940 1.179 459 HE1 TRP 57 HE1 TRP 57 22.876 11.455 0.963 460 HE3 TRP 57 HE3 TRP 57 23.027 9.206 -3.885 461 HZ2 TRP 57 HZ2 TRP 57 23.472 13.307 -1.083 462 HZ3 TRP 57 HZ3 TRP 57 23.561 11.387 -4.892 463 HH2 TRP 57 HH2 TRP 57 23.778 13.393 -3.518 464 H MET 58 H MET 58 21.500 4.561 0.661 465 HA MET 58 HA MET 58 22.677 2.654 -1.245 466 HB2 MET 58 HB2 MET 58 23.138 1.978 0.994 467 HB3 MET 58 HB3 MET 58 21.477 2.267 1.495 468 HG2 MET 58 HG2 MET 58 20.703 0.331 0.531 469 HG3 MET 58 HG3 MET 58 22.030 0.251 -0.625 470 HE1 MET 58 HE1 MET 58 20.569 -1.651 2.137 471 HE2 MET 58 HE2 MET 58 21.159 -2.322 0.616 472 HE3 MET 58 HE3 MET 58 21.882 -2.830 2.143 473 H GLU 59 H GLU 59 21.412 2.262 -2.934 474 HA GLU 59 HA GLU 59 18.495 2.202 -2.522 475 HB2 GLU 59 HB2 GLU 59 18.412 2.576 -5.037 476 HB3 GLU 59 HB3 GLU 59 18.961 3.931 -4.060 477 HG2 GLU 59 HG2 GLU 59 21.273 3.408 -4.608 478 HG3 GLU 59 HG3 GLU 59 20.741 2.025 -5.563 479 H LEU 60 H LEU 60 17.628 0.247 -2.544 480 HA LEU 60 HA LEU 60 18.778 -1.795 -4.320 481 HB2 LEU 60 HB2 LEU 60 18.192 -3.478 -2.551 482 HB3 LEU 60 HB3 LEU 60 19.549 -2.416 -2.179 483 HG LEU 60 HG LEU 60 16.840 -1.695 -1.162 484 HD11 LEU 60 HD11 LEU 60 16.658 -3.373 0.289 485 HD12 LEU 60 HD12 LEU 60 18.368 -3.300 0.711 486 HD13 LEU 60 HD13 LEU 60 17.848 -4.223 -0.699 487 HD21 LEU 60 HD21 LEU 60 18.505 -1.148 0.814 488 HD22 LEU 60 HD22 LEU 60 18.316 -0.061 -0.562 489 HD23 LEU 60 HD23 LEU 60 19.688 -1.168 -0.494 490 H GLU 61 H GLU 61 17.293 -3.452 -4.997 491 HA GLU 61 HA GLU 61 14.455 -2.836 -4.594 492 HB2 GLU 61 HB2 GLU 61 15.457 -1.845 -6.767 493 HB3 GLU 61 HB3 GLU 61 15.487 -3.509 -7.334 494 HG2 GLU 61 HG2 GLU 61 13.147 -3.697 -7.237 495 HG3 GLU 61 HG3 GLU 61 12.990 -2.226 -6.279 496 H ALA 62 H ALA 62 13.535 -4.608 -3.826 497 HA ALA 62 HA ALA 62 14.629 -7.135 -3.696 498 HB1 ALA 62 HB1 ALA 62 12.837 -6.758 -2.268 499 HB2 ALA 62 HB2 ALA 62 11.800 -6.161 -3.564 500 HB3 ALA 62 HB3 ALA 62 12.170 -7.881 -3.453 501 H GLN 63 H GLN 63 14.562 -8.973 -4.923 502 HA GLN 63 HA GLN 63 13.575 -8.640 -7.675 503 HB2 GLN 63 HB2 GLN 63 16.082 -9.459 -6.695 504 HB3 GLN 63 HB3 GLN 63 15.323 -10.907 -7.343 505 HG2 GLN 63 HG2 GLN 63 14.804 -9.256 -9.359 506 HG3 GLN 63 HG3 GLN 63 16.246 -8.461 -8.727 507 HE21 GLN 63 HE21 GLN 63 15.000 -11.584 -9.802 508 HE22 GLN 63 HE22 GLN 63 16.505 -12.177 -10.409 509 H GLU 64 H GLU 64 13.531 -11.210 -8.548 510 HA GLU 64 HA GLU 64 11.054 -12.149 -7.643 511 HB2 GLU 64 HB2 GLU 64 13.203 -13.221 -9.406 512 HB3 GLU 64 HB3 GLU 64 11.978 -14.344 -8.833 513 HG2 GLU 64 HG2 GLU 64 10.281 -12.631 -9.695 514 HG3 GLU 64 HG3 GLU 64 11.642 -11.928 -10.567 515 H LYS 65 H LYS 65 14.319 -13.444 -7.058 516 HA LYS 65 HA LYS 65 13.390 -14.513 -4.504 517 HB2 LYS 65 HB2 LYS 65 14.488 -16.689 -4.942 518 HB3 LYS 65 HB3 LYS 65 13.120 -16.391 -6.006 519 HG2 LYS 65 HG2 LYS 65 14.569 -17.109 -7.573 520 HG3 LYS 65 HG3 LYS 65 15.084 -15.421 -7.543 521 HD2 LYS 65 HD2 LYS 65 16.972 -15.898 -6.250 522 HD3 LYS 65 HD3 LYS 65 16.331 -17.457 -5.727 523 HE2 LYS 65 HE2 LYS 65 18.161 -17.632 -7.401 524 HE3 LYS 65 HE3 LYS 65 16.654 -18.391 -7.911 525 HZ1 LYS 65 HZ1 LYS 65 18.108 -16.512 -9.296 526 HZ2 LYS 65 HZ2 LYS 65 16.754 -15.673 -8.728 527 HZ3 LYS 65 HZ3 LYS 65 16.553 -17.065 -9.668 528 H ARG 66 H ARG 66 15.185 -12.336 -5.472 529 HA ARG 66 HA ARG 66 17.437 -12.988 -3.744 530 HB2 ARG 66 HB2 ARG 66 17.621 -12.520 -6.667 531 HB3 ARG 66 HB3 ARG 66 18.823 -11.715 -5.666 532 HG2 ARG 66 HG2 ARG 66 19.794 -13.682 -5.005 533 HG3 ARG 66 HG3 ARG 66 18.319 -14.618 -5.249 534 HD2 ARG 66 HD2 ARG 66 18.591 -14.557 -7.623 535 HD3 ARG 66 HD3 ARG 66 19.921 -13.407 -7.493 536 HE ARG 66 HE ARG 66 20.529 -15.779 -6.078 537 HH11 ARG 66 HH11 ARG 66 20.254 -14.512 -9.309 538 HH12 ARG 66 HH12 ARG 66 21.400 -15.623 -9.983 539 HH21 ARG 66 HH21 ARG 66 22.040 -17.247 -6.953 540 HH22 ARG 66 HH22 ARG 66 22.415 -17.179 -8.642 541 H PHE 67 H PHE 67 18.860 -10.966 -3.468 542 HA PHE 67 HA PHE 67 17.267 -8.509 -3.643 543 HB2 PHE 67 HB2 PHE 67 17.636 -9.939 -1.264 544 HB3 PHE 67 HB3 PHE 67 18.774 -8.599 -1.171 545 HD1 PHE 67 HD2 PHE 67 17.690 -6.278 -1.994 546 HD2 PHE 67 HD1 PHE 67 15.560 -9.589 -0.376 547 HE1 PHE 67 HE2 PHE 67 15.861 -4.772 -1.329 548 HE2 PHE 67 HE1 PHE 67 13.728 -8.089 0.291 549 HZ PHE 67 HZ PHE 67 13.877 -5.677 -0.184 550 H THR 68 H THR 68 18.410 -6.712 -4.123 551 HA THR 68 HA THR 68 21.309 -7.047 -4.478 552 HB THR 68 HB THR 68 21.245 -5.353 -6.153 553 HG1 THR 68 HG1 THR 68 19.596 -3.961 -6.383 554 HG21 THR 68 HG21 THR 68 18.727 -6.949 -6.596 555 HG22 THR 68 HG22 THR 68 20.343 -7.641 -6.739 556 HG23 THR 68 HG23 THR 68 19.847 -6.329 -7.809 557 H TYR 69 H TYR 69 22.628 -5.048 -4.184 558 HA TYR 69 HA TYR 69 21.601 -3.032 -2.394 559 HB2 TYR 69 HB2 TYR 69 22.969 -3.506 -0.510 560 HB3 TYR 69 HB3 TYR 69 22.181 -5.023 -0.930 561 HD1 TYR 69 HD1 TYR 69 23.627 -6.435 -2.745 562 HD2 TYR 69 HD2 TYR 69 25.189 -3.652 0.068 563 HE1 TYR 69 HE1 TYR 69 25.820 -7.541 -2.877 564 HE2 TYR 69 HE2 TYR 69 27.386 -4.749 -0.057 565 HH TYR 69 HH TYR 69 27.853 -7.775 -1.430 566 H ARG 70 H ARG 70 22.850 -1.191 -2.356 567 HA ARG 70 HA ARG 70 25.490 -1.230 -3.584 568 HB2 ARG 70 HB2 ARG 70 23.142 0.298 -4.703 569 HB3 ARG 70 HB3 ARG 70 24.810 0.721 -5.064 570 HG2 ARG 70 HG2 ARG 70 25.171 -1.463 -6.063 571 HG3 ARG 70 HG3 ARG 70 23.520 -1.935 -5.654 572 HD2 ARG 70 HD2 ARG 70 22.891 0.214 -7.007 573 HD3 ARG 70 HD3 ARG 70 24.492 -0.003 -7.712 574 HE ARG 70 HE ARG 70 23.086 -2.440 -7.805 575 HH11 ARG 70 HH11 ARG 70 23.113 0.722 -9.262 576 HH12 ARG 70 HH12 ARG 70 22.435 0.180 -10.761 577 HH21 ARG 70 HH21 ARG 70 22.193 -3.165 -9.775 578 HH22 ARG 70 HH22 ARG 70 21.911 -2.031 -11.052 579 H TYR 71 H TYR 71 26.622 0.842 -3.346 580 HA TYR 71 HA TYR 71 25.530 2.532 -1.204 581 HB2 TYR 71 HB2 TYR 71 27.707 2.576 -0.093 582 HB3 TYR 71 HB3 TYR 71 27.100 0.927 -0.197 583 HD1 TYR 71 HD1 TYR 71 28.116 -0.669 -1.786 584 HD2 TYR 71 HD2 TYR 71 29.715 3.232 -1.219 585 HE1 TYR 71 HE1 TYR 71 30.211 -1.378 -2.863 586 HE2 TYR 71 HE2 TYR 71 31.814 2.535 -2.295 587 HH TYR 71 HH TYR 71 33.022 0.154 -2.599 588 H GLN 72 H GLN 72 25.800 4.666 -1.499 589 HA GLN 72 HA GLN 72 27.697 5.559 -3.561 590 HB2 GLN 72 HB2 GLN 72 24.861 6.536 -3.190 591 HB3 GLN 72 HB3 GLN 72 26.035 7.241 -4.294 592 HG2 GLN 72 HG2 GLN 72 25.413 4.341 -4.521 593 HG3 GLN 72 HG3 GLN 72 24.248 5.518 -5.126 594 HE21 GLN 72 HE21 GLN 72 24.445 5.859 -7.208 595 HE22 GLN 72 HE22 GLN 72 25.917 5.866 -8.112 596 H PHE 73 H PHE 73 28.669 7.552 -3.226 597 HA PHE 73 HA PHE 73 28.595 8.478 -0.464 598 HB2 PHE 73 HB2 PHE 73 30.507 8.775 -2.744 599 HB3 PHE 73 HB3 PHE 73 30.544 9.961 -1.444 600 HD1 PHE 73 HD2 PHE 73 30.503 6.264 -1.930 601 HD2 PHE 73 HD1 PHE 73 31.922 9.567 0.348 602 HE1 PHE 73 HE2 PHE 73 31.884 4.737 -0.584 603 HE2 PHE 73 HE1 PHE 73 33.307 8.046 1.698 604 HZ PHE 73 HZ PHE 73 33.288 5.627 1.233 605 H GLY 74 H GLY 74 28.189 10.606 0.150 606 HA2 GLY 74 HA2 GLY 74 27.752 12.779 -1.538 607 HA3 GLY 74 HA3 GLY 74 26.206 11.966 -1.344 608 H LEU 75 H LEU 75 25.186 13.547 -0.178 609 HA LEU 75 HA LEU 75 26.031 13.789 2.603 610 HB2 LEU 75 HB2 LEU 75 27.036 15.710 1.497 611 HB3 LEU 75 HB3 LEU 75 25.469 16.159 0.826 612 HG LEU 75 HG LEU 75 25.763 16.000 3.788 613 HD11 LEU 75 HD11 LEU 75 26.666 18.195 3.949 614 HD12 LEU 75 HD12 LEU 75 26.615 18.411 2.200 615 HD13 LEU 75 HD13 LEU 75 27.742 17.258 2.912 616 HD21 LEU 75 HD21 LEU 75 24.370 18.269 3.010 617 HD22 LEU 75 HD22 LEU 75 23.677 16.742 3.557 618 HD23 LEU 75 HD23 LEU 75 23.900 17.042 1.833 619 H PHE 76 H PHE 76 24.356 14.183 4.042 620 HA PHE 76 HA PHE 76 21.652 14.184 2.871 621 HB2 PHE 76 HB2 PHE 76 22.020 12.010 3.801 622 HB3 PHE 76 HB3 PHE 76 22.696 12.689 5.278 623 HD1 PHE 76 HD1 PHE 76 19.563 12.505 3.293 624 HD2 PHE 76 HD2 PHE 76 21.337 13.082 7.119 625 HE1 PHE 76 HE1 PHE 76 17.333 12.450 4.332 626 HE2 PHE 76 HE2 PHE 76 19.110 13.027 8.164 627 HZ PHE 76 HZ PHE 76 17.105 12.710 6.770 628 H ASP 77 H ASP 77 20.520 15.933 3.356 629 HA ASP 77 HA ASP 77 21.328 17.570 5.644 630 HB2 ASP 77 HB2 ASP 77 19.728 19.248 4.561 631 HB3 ASP 77 HB3 ASP 77 21.209 18.876 3.683 632 H LYS 78 H LYS 78 19.184 18.898 6.405 633 HA LYS 78 HA LYS 78 17.640 16.924 7.809 634 HB2 LYS 78 HB2 LYS 78 16.661 18.779 8.989 635 HB3 LYS 78 HB3 LYS 78 18.389 19.068 8.837 636 HG2 LYS 78 HG2 LYS 78 17.916 20.547 6.901 637 HG3 LYS 78 HG3 LYS 78 16.192 20.335 7.216 638 HD2 LYS 78 HD2 LYS 78 18.023 21.266 9.394 639 HD3 LYS 78 HD3 LYS 78 17.425 22.406 8.186 640 HE2 LYS 78 HE2 LYS 78 15.585 20.598 9.726 641 HE3 LYS 78 HE3 LYS 78 16.088 22.168 10.350 642 HZ1 LYS 78 HZ1 LYS 78 14.618 23.173 9.055 643 HZ2 LYS 78 HZ2 LYS 78 14.004 21.659 8.620 644 HZ3 LYS 78 HZ3 LYS 78 15.195 22.394 7.669 645 H GLU 79 H GLU 79 17.250 18.818 4.952 646 HA GLU 79 HA GLU 79 14.383 18.644 4.863 647 HB2 GLU 79 HB2 GLU 79 16.395 19.375 2.729 648 HB3 GLU 79 HB3 GLU 79 14.652 19.515 2.552 649 HG2 GLU 79 HG2 GLU 79 14.510 21.315 3.958 650 HG3 GLU 79 HG3 GLU 79 15.973 20.881 4.839 651 H GLY 80 H GLY 80 16.861 16.459 4.318 652 HA2 GLY 80 HA2 GLY 80 16.815 14.288 3.553 653 HA3 GLY 80 HA3 GLY 80 15.078 14.460 3.349 654 H ASN 81 H ASN 81 17.113 16.759 1.784 655 HA ASN 81 HA ASN 81 16.289 15.701 -0.803 656 HB2 ASN 81 HB2 ASN 81 17.344 18.325 0.174 657 HB3 ASN 81 HB3 ASN 81 17.525 17.916 -1.530 658 HD21 ASN 81 HD21 ASN 81 15.777 19.775 0.245 659 HD22 ASN 81 HD22 ASN 81 14.208 19.596 -0.456 660 H TRP 82 H TRP 82 17.572 14.455 -1.979 661 HA TRP 82 HA TRP 82 20.191 13.765 -1.218 662 HB2 TRP 82 HB2 TRP 82 20.298 12.586 -3.384 663 HB3 TRP 82 HB3 TRP 82 18.792 12.259 -2.531 664 HD1 TRP 82 HD1 TRP 82 16.544 13.379 -3.545 665 HE1 TRP 82 HE1 TRP 82 15.980 14.160 -5.932 666 HE3 TRP 82 HE3 TRP 82 21.278 13.620 -5.461 667 HZ2 TRP 82 HZ2 TRP 82 17.359 14.793 -8.312 668 HZ3 TRP 82 HZ3 TRP 82 21.569 14.322 -7.801 669 HH2 TRP 82 HH2 TRP 82 19.648 14.895 -9.196 670 H THR 83 H THR 83 22.042 14.811 -1.486 671 HA THR 83 HA THR 83 22.419 16.515 -3.833 672 HB THR 83 HB THR 83 22.984 17.466 -1.018 673 HG1 THR 83 HG1 THR 83 20.954 18.068 -2.902 674 HG21 THR 83 HG21 THR 83 23.107 19.590 -2.833 675 HG22 THR 83 HG22 THR 83 24.005 18.275 -3.593 676 HG23 THR 83 HG23 THR 83 24.456 18.836 -1.983 677 H VAL 84 H VAL 84 24.265 15.977 -4.780 678 HA VAL 84 HA VAL 84 26.159 14.243 -3.570 679 HB VAL 84 HB VAL 84 27.508 14.603 -5.605 680 HG11 VAL 84 HG11 VAL 84 25.003 13.405 -5.395 681 HG12 VAL 84 HG12 VAL 84 24.959 14.288 -6.922 682 HG13 VAL 84 HG13 VAL 84 26.227 13.098 -6.626 683 HG21 VAL 84 HG21 VAL 84 25.544 16.813 -5.998 684 HG22 VAL 84 HG22 VAL 84 27.288 16.797 -6.262 685 HG23 VAL 84 HG23 VAL 84 26.215 15.996 -7.410 686 H VAL 85 H VAL 85 27.975 14.662 -2.472 687 HA VAL 85 HA VAL 85 29.188 17.314 -2.609 688 HB VAL 85 HB VAL 85 28.516 16.063 0.054 689 HG11 VAL 85 HG11 VAL 85 29.410 18.872 -0.555 690 HG12 VAL 85 HG12 VAL 85 29.307 18.080 1.019 691 HG13 VAL 85 HG13 VAL 85 30.527 17.570 -0.149 692 HG21 VAL 85 HG21 VAL 85 26.471 16.767 -1.117 693 HG22 VAL 85 HG22 VAL 85 26.800 17.766 0.299 694 HG23 VAL 85 HG23 VAL 85 27.153 18.381 -1.315 695 HA PRO 86 HA PRO 86 32.811 14.774 -2.626 696 HB2 PRO 86 HB2 PRO 86 34.632 16.770 -2.364 697 HB3 PRO 86 HB3 PRO 86 33.776 16.443 -3.875 698 HG2 PRO 86 HG2 PRO 86 33.211 18.513 -1.788 699 HG3 PRO 86 HG3 PRO 86 33.194 18.671 -3.554 700 HD2 PRO 86 HD2 PRO 86 30.931 18.377 -2.096 701 HD3 PRO 86 HD3 PRO 86 31.096 17.737 -3.744 702 H ILE 87 H ILE 87 34.103 13.810 -1.133 703 HA ILE 87 HA ILE 87 33.772 14.652 1.639 704 HB ILE 87 HB ILE 87 35.097 12.164 0.556 705 HG12 ILE 87 HG12 ILE 87 32.728 12.221 -0.039 706 HG13 ILE 87 HG13 ILE 87 33.011 11.019 1.215 707 HG21 ILE 87 HG21 ILE 87 35.906 12.628 2.748 708 HG22 ILE 87 HG22 ILE 87 34.284 12.992 3.334 709 HG23 ILE 87 HG23 ILE 87 34.711 11.340 2.891 710 HD11 ILE 87 HD11 ILE 87 31.919 13.786 1.665 711 HD12 ILE 87 HD12 ILE 87 30.974 12.298 1.611 712 HD13 ILE 87 HD13 ILE 87 32.158 12.545 2.895 713 H ASN 88 H ASN 88 35.234 15.898 2.582 714 HA ASN 88 HA ASN 88 37.926 16.067 1.450 715 HB2 ASN 88 HB2 ASN 88 36.332 18.075 2.104 716 HB3 ASN 88 HB3 ASN 88 37.017 17.806 3.704 717 HD21 ASN 88 HD21 ASN 88 37.406 19.345 0.774 718 HD22 ASN 88 HD22 ASN 88 39.060 19.814 0.938 719 H GLU 89 H GLU 89 39.799 15.949 2.780 720 HA GLU 89 HA GLU 89 41.138 15.039 4.379 721 HB2 GLU 89 HB2 GLU 89 38.759 15.017 6.227 722 HB3 GLU 89 HB3 GLU 89 40.461 15.138 6.649 723 HG2 GLU 89 HG2 GLU 89 40.352 17.348 5.269 724 HG3 GLU 89 HG3 GLU 89 38.621 17.222 5.579 725 H THR 90 H THR 90 41.676 13.035 3.776 726 HA THR 90 HA THR 90 40.004 10.884 3.309 727 HB THR 90 HB THR 90 42.316 10.858 2.573 728 HG1 THR 90 HG1 THR 90 42.165 8.739 4.435 729 HG21 THR 90 HG21 THR 90 43.147 11.976 4.725 730 HG22 THR 90 HG22 THR 90 44.179 10.743 4.000 731 HG23 THR 90 HG23 THR 90 43.188 10.349 5.404 732 H GLU 91 H GLU 91 41.255 12.091 6.328 733 HA GLU 91 HA GLU 91 40.986 9.883 7.977 734 HB2 GLU 91 HB2 GLU 91 40.465 11.614 9.785 735 HB3 GLU 91 HB3 GLU 91 41.987 11.788 8.923 736 HG2 GLU 91 HG2 GLU 91 41.232 13.626 7.709 737 HG3 GLU 91 HG3 GLU 91 39.539 13.274 8.053 738 H VAL 92 H VAL 92 38.529 12.126 6.820 739 HA VAL 92 HA VAL 92 36.435 10.986 8.429 740 HB VAL 92 HB VAL 92 36.271 12.861 6.065 741 HG11 VAL 92 HG11 VAL 92 34.219 11.643 7.828 742 HG12 VAL 92 HG12 VAL 92 34.010 13.335 7.372 743 HG13 VAL 92 HG13 VAL 92 34.128 12.092 6.126 744 HG21 VAL 92 HG21 VAL 92 36.727 13.244 8.959 745 HG22 VAL 92 HG22 VAL 92 37.255 14.219 7.588 746 HG23 VAL 92 HG23 VAL 92 35.601 14.359 8.185 747 H VAL 93 H VAL 93 37.323 10.890 4.989 748 HA VAL 93 HA VAL 93 35.250 9.359 4.003 749 HB VAL 93 HB VAL 93 37.571 10.332 2.947 750 HG11 VAL 93 HG11 VAL 93 37.772 7.330 2.763 751 HG12 VAL 93 HG12 VAL 93 38.857 8.517 2.038 752 HG13 VAL 93 HG13 VAL 93 38.789 8.338 3.791 753 HG21 VAL 93 HG21 VAL 93 36.132 8.231 1.409 754 HG22 VAL 93 HG22 VAL 93 35.218 9.627 1.981 755 HG23 VAL 93 HG23 VAL 93 36.611 9.858 0.924 756 H GLU 94 H GLU 94 38.047 8.354 5.857 757 HA GLU 94 HA GLU 94 37.888 5.586 5.388 758 HB2 GLU 94 HB2 GLU 94 39.019 7.229 7.640 759 HB3 GLU 94 HB3 GLU 94 39.053 5.472 7.686 760 HG2 GLU 94 HG2 GLU 94 40.081 5.929 5.229 761 HG3 GLU 94 HG3 GLU 94 40.647 7.355 6.098 762 H ARG 95 H ARG 95 36.214 7.696 7.635 763 HA ARG 95 HA ARG 95 35.057 5.583 9.176 764 HB2 ARG 95 HB2 ARG 95 35.305 7.712 10.233 765 HB3 ARG 95 HB3 ARG 95 34.435 8.525 8.939 766 HG2 ARG 95 HG2 ARG 95 33.084 8.306 10.964 767 HG3 ARG 95 HG3 ARG 95 32.374 7.439 9.601 768 HD2 ARG 95 HD2 ARG 95 32.576 5.452 10.615 769 HD3 ARG 95 HD3 ARG 95 34.201 5.813 11.194 770 HE ARG 95 HE ARG 95 31.775 6.037 12.667 771 HH11 ARG 95 HH11 ARG 95 34.936 7.440 12.266 772 HH12 ARG 95 HH12 ARG 95 35.014 8.049 13.887 773 HH21 ARG 95 HH21 ARG 95 31.866 6.833 14.803 774 HH22 ARG 95 HH22 ARG 95 33.268 7.702 15.329 775 H LEU 96 H LEU 96 34.095 7.453 6.368 776 HA LEU 96 HA LEU 96 31.381 6.600 6.336 777 HB2 LEU 96 HB2 LEU 96 33.210 8.027 4.497 778 HB3 LEU 96 HB3 LEU 96 31.807 7.243 3.774 779 HG LEU 96 HG LEU 96 31.375 9.597 4.219 780 HD11 LEU 96 HD11 LEU 96 29.720 7.529 4.754 781 HD12 LEU 96 HD12 LEU 96 29.244 9.226 4.824 782 HD13 LEU 96 HD13 LEU 96 29.699 8.376 6.301 783 HD21 LEU 96 HD21 LEU 96 31.715 8.955 7.142 784 HD22 LEU 96 HD22 LEU 96 31.382 10.527 6.414 785 HD23 LEU 96 HD23 LEU 96 32.947 9.751 6.163 786 H GLU 97 H GLU 97 34.335 5.454 4.766 787 HA GLU 97 HA GLU 97 33.066 3.470 3.181 788 HB2 GLU 97 HB2 GLU 97 35.335 2.576 2.854 789 HB3 GLU 97 HB3 GLU 97 35.275 4.316 2.609 790 HG2 GLU 97 HG2 GLU 97 36.206 4.674 4.829 791 HG3 GLU 97 HG3 GLU 97 36.244 2.933 5.100 792 H TYR 98 H TYR 98 34.335 3.536 6.441 793 HA TYR 98 HA TYR 98 34.313 0.716 6.845 794 HB2 TYR 98 HB2 TYR 98 35.711 2.118 8.237 795 HB3 TYR 98 HB3 TYR 98 34.309 3.016 8.809 796 HD1 TYR 98 HD2 TYR 98 32.676 1.914 10.327 797 HD2 TYR 98 HD1 TYR 98 36.330 0.037 9.218 798 HE1 TYR 98 HE2 TYR 98 32.439 0.351 12.211 799 HE2 TYR 98 HE1 TYR 98 36.102 -1.532 11.098 800 HH TYR 98 HH TYR 98 34.202 -2.462 12.499 801 H THR 99 H THR 99 31.995 3.306 7.363 802 HA THR 99 HA THR 99 30.124 1.834 8.881 803 HB THR 99 HB THR 99 28.550 3.643 7.597 804 HG1 THR 99 HG1 THR 99 29.911 5.536 7.381 805 HG21 THR 99 HG21 THR 99 29.817 5.153 9.568 806 HG22 THR 99 HG22 THR 99 30.000 3.480 10.095 807 HG23 THR 99 HG23 THR 99 28.394 4.132 9.769 808 H LEU 100 H LEU 100 30.357 2.486 5.396 809 HA LEU 100 HA LEU 100 28.011 1.188 4.610 810 HB2 LEU 100 HB2 LEU 100 28.727 1.482 2.467 811 HB3 LEU 100 HB3 LEU 100 29.744 2.657 3.299 812 HG LEU 100 HG LEU 100 31.429 0.617 3.361 813 HD11 LEU 100 HD11 LEU 100 29.340 -0.447 1.832 814 HD12 LEU 100 HD12 LEU 100 30.950 -1.122 2.072 815 HD13 LEU 100 HD13 LEU 100 30.632 -0.072 0.692 816 HD21 LEU 100 HD21 LEU 100 31.219 1.900 0.696 817 HD22 LEU 100 HD22 LEU 100 32.609 1.731 1.768 818 HD23 LEU 100 HD23 LEU 100 31.381 2.954 2.101 819 H ARG 101 H ARG 101 31.212 -0.059 5.314 820 HA ARG 101 HA ARG 101 30.790 -2.659 4.249 821 HB2 ARG 101 HB2 ARG 101 33.014 -1.501 4.842 822 HB3 ARG 101 HB3 ARG 101 32.693 -2.023 6.490 823 HG2 ARG 101 HG2 ARG 101 33.194 -4.169 6.051 824 HG3 ARG 101 HG3 ARG 101 32.470 -4.119 4.442 825 HD2 ARG 101 HD2 ARG 101 34.570 -2.508 4.030 826 HD3 ARG 101 HD3 ARG 101 35.236 -3.526 5.306 827 HE ARG 101 HE ARG 101 34.817 -4.259 2.598 828 HH11 ARG 101 HH11 ARG 101 34.694 -5.504 5.847 829 HH12 ARG 101 HH12 ARG 101 35.005 -7.141 5.370 830 HH21 ARG 101 HH21 ARG 101 35.227 -6.410 1.958 831 HH22 ARG 101 HH22 ARG 101 35.309 -7.655 3.159 832 H GLU 102 H GLU 102 30.643 -1.352 7.555 833 HA GLU 102 HA GLU 102 29.883 -3.776 8.786 834 HB2 GLU 102 HB2 GLU 102 29.852 -0.897 9.567 835 HB3 GLU 102 HB3 GLU 102 28.918 -2.030 10.534 836 HG2 GLU 102 HG2 GLU 102 31.861 -2.258 9.947 837 HG3 GLU 102 HG3 GLU 102 31.159 -1.642 11.442 838 H PHE 103 H PHE 103 28.091 -1.290 7.133 839 HA PHE 103 HA PHE 103 25.518 -1.931 8.117 840 HB2 PHE 103 HB2 PHE 103 26.194 0.181 6.888 841 HB3 PHE 103 HB3 PHE 103 26.135 -0.762 5.403 842 HD1 PHE 103 HD1 PHE 103 24.133 0.575 8.188 843 HD2 PHE 103 HD2 PHE 103 24.070 -1.323 4.378 844 HE1 PHE 103 HE1 PHE 103 21.718 1.010 8.015 845 HE2 PHE 103 HE2 PHE 103 21.655 -0.889 4.199 846 HZ PHE 103 HZ PHE 103 20.476 0.278 6.019 847 H HIS 104 H HIS 104 27.467 -3.181 5.484 848 HA HIS 104 HA HIS 104 25.405 -4.675 4.226 849 HB2 HIS 104 HB2 HIS 104 27.174 -4.385 2.788 850 HB3 HIS 104 HB3 HIS 104 28.378 -4.574 4.060 851 HD1 HIS 104 HD1 HIS 104 25.705 -7.007 2.868 852 HD2 HIS 104 HD2 HIS 104 29.828 -6.724 3.291 853 HE1 HIS 104 HE1 HIS 104 26.604 -9.265 2.221 854 H GLU 105 H GLU 105 27.938 -5.534 6.562 855 HA GLU 105 HA GLU 105 27.399 -8.264 6.740 856 HB2 GLU 105 HB2 GLU 105 28.831 -6.267 8.338 857 HB3 GLU 105 HB3 GLU 105 28.189 -7.600 9.289 858 HG2 GLU 105 HG2 GLU 105 29.467 -9.183 8.161 859 HG3 GLU 105 HG3 GLU 105 29.773 -8.104 6.801 860 H LYS 106 H LYS 106 26.105 -5.574 8.668 861 HA LYS 106 HA LYS 106 24.468 -7.135 10.342 862 HB2 LYS 106 HB2 LYS 106 23.808 -5.159 11.241 863 HB3 LYS 106 HB3 LYS 106 25.167 -4.536 10.315 864 HG2 LYS 106 HG2 LYS 106 23.484 -4.137 8.440 865 HG3 LYS 106 HG3 LYS 106 22.243 -4.398 9.668 866 HD2 LYS 106 HD2 LYS 106 24.470 -2.426 10.079 867 HD3 LYS 106 HD3 LYS 106 22.999 -1.987 9.208 868 HE2 LYS 106 HE2 LYS 106 22.585 -1.339 11.418 869 HE3 LYS 106 HE3 LYS 106 21.741 -2.877 11.246 870 HZ1 LYS 106 HZ1 LYS 106 23.158 -3.918 12.645 871 HZ2 LYS 106 HZ2 LYS 106 23.340 -2.358 13.271 872 HZ3 LYS 106 HZ3 LYS 106 24.494 -2.979 12.202 873 H LEU 107 H LEU 107 23.990 -5.825 7.135 874 HA LEU 107 HA LEU 107 21.176 -6.238 7.029 875 HB2 LEU 107 HB2 LEU 107 22.918 -4.880 5.500 876 HB3 LEU 107 HB3 LEU 107 22.740 -6.336 4.524 877 HG LEU 107 HG LEU 107 20.132 -5.560 5.161 878 HD11 LEU 107 HD11 LEU 107 19.924 -3.284 4.693 879 HD12 LEU 107 HD12 LEU 107 21.576 -3.160 4.090 880 HD13 LEU 107 HD13 LEU 107 21.282 -3.369 5.816 881 HD21 LEU 107 HD21 LEU 107 20.058 -4.990 2.731 882 HD22 LEU 107 HD22 LEU 107 20.741 -6.577 3.087 883 HD23 LEU 107 HD23 LEU 107 21.804 -5.230 2.676 884 H ARG 108 H ARG 108 23.981 -8.201 6.267 885 HA ARG 108 HA ARG 108 22.846 -10.213 4.752 886 HB2 ARG 108 HB2 ARG 108 25.237 -9.862 6.329 887 HB3 ARG 108 HB3 ARG 108 24.622 -11.499 6.510 888 HG2 ARG 108 HG2 ARG 108 24.439 -11.233 3.843 889 HG3 ARG 108 HG3 ARG 108 25.807 -10.167 4.169 890 HD2 ARG 108 HD2 ARG 108 26.974 -11.957 5.304 891 HD3 ARG 108 HD3 ARG 108 25.583 -13.023 5.110 892 HE ARG 108 HE ARG 108 26.186 -12.341 2.567 893 HH11 ARG 108 HH11 ARG 108 28.074 -13.599 5.208 894 HH12 ARG 108 HH12 ARG 108 29.179 -14.452 4.183 895 HH21 ARG 108 HH21 ARG 108 27.635 -13.459 1.207 896 HH22 ARG 108 HH22 ARG 108 28.930 -14.371 1.907 897 H ASP 109 H ASP 109 22.890 -9.851 8.273 898 HA ASP 109 HA ASP 109 21.691 -12.316 8.900 899 HB2 ASP 109 HB2 ASP 109 22.850 -10.569 10.441 900 HB3 ASP 109 HB3 ASP 109 21.247 -9.849 10.553 901 H LEU 110 H LEU 110 20.341 -9.190 8.034 902 HA LEU 110 HA LEU 110 17.646 -9.833 8.685 903 HB2 LEU 110 HB2 LEU 110 18.288 -7.539 8.563 904 HB3 LEU 110 HB3 LEU 110 18.867 -7.732 6.910 905 HG LEU 110 HG LEU 110 16.323 -8.352 6.485 906 HD11 LEU 110 HD11 LEU 110 14.893 -7.854 8.104 907 HD12 LEU 110 HD12 LEU 110 15.569 -6.234 8.270 908 HD13 LEU 110 HD13 LEU 110 16.267 -7.577 9.175 909 HD21 LEU 110 HD21 LEU 110 17.949 -6.246 5.909 910 HD22 LEU 110 HD22 LEU 110 16.639 -5.454 6.785 911 HD23 LEU 110 HD23 LEU 110 16.286 -6.419 5.350 912 H LEU 111 H LEU 111 19.412 -9.688 5.596 913 HA LEU 111 HA LEU 111 17.277 -10.592 3.996 914 HB2 LEU 111 HB2 LEU 111 20.258 -10.677 3.592 915 HB3 LEU 111 HB3 LEU 111 19.099 -11.168 2.359 916 HG LEU 111 HG LEU 111 19.433 -8.403 3.518 917 HD11 LEU 111 HD11 LEU 111 19.868 -8.000 0.986 918 HD12 LEU 111 HD12 LEU 111 20.246 -9.722 0.966 919 HD13 LEU 111 HD13 LEU 111 21.159 -8.630 2.009 920 HD21 LEU 111 HD21 LEU 111 17.244 -8.232 3.028 921 HD22 LEU 111 HD22 LEU 111 17.256 -9.660 1.993 922 HD23 LEU 111 HD23 LEU 111 17.822 -8.111 1.365 923 H ILE 112 H ILE 112 19.909 -12.301 5.625 924 HA ILE 112 HA ILE 112 19.439 -14.849 4.551 925 HB ILE 112 HB ILE 112 20.675 -13.956 7.143 926 HG12 ILE 112 HG12 ILE 112 22.019 -15.458 4.921 927 HG13 ILE 112 HG13 ILE 112 21.736 -13.728 4.764 928 HG21 ILE 112 HG21 ILE 112 20.111 -15.996 7.927 929 HG22 ILE 112 HG22 ILE 112 19.859 -16.664 6.315 930 HG23 ILE 112 HG23 ILE 112 21.493 -16.510 6.960 931 HD11 ILE 112 HD11 ILE 112 23.665 -15.186 6.418 932 HD12 ILE 112 HD12 ILE 112 23.753 -13.570 5.717 933 HD13 ILE 112 HD13 ILE 112 22.862 -13.833 7.216 934 H SER 113 H SER 113 17.991 -13.158 7.273 935 HA SER 113 HA SER 113 16.604 -15.382 8.350 936 HB2 SER 113 HB2 SER 113 17.064 -13.232 9.565 937 HB3 SER 113 HB3 SER 113 15.824 -12.467 8.571 938 HG SER 113 HG SER 113 14.555 -14.448 9.441 939 H MET 114 H MET 114 16.026 -13.320 5.653 940 HA MET 114 HA MET 114 13.226 -14.134 5.457 941 HB2 MET 114 HB2 MET 114 14.901 -12.119 3.973 942 HB3 MET 114 HB3 MET 114 13.304 -12.593 3.409 943 HG2 MET 114 HG2 MET 114 12.524 -11.963 5.781 944 HG3 MET 114 HG3 MET 114 14.061 -11.109 5.889 945 HE1 MET 114 HE1 MET 114 14.793 -9.357 4.852 946 HE2 MET 114 HE2 MET 114 14.108 -8.444 3.508 947 HE3 MET 114 HE3 MET 114 13.604 -8.092 5.161 948 H GLU 115 H GLU 115 16.062 -15.491 4.705 949 HA GLU 115 HA GLU 115 16.711 -17.162 3.304 950 HB2 GLU 115 HB2 GLU 115 13.864 -17.306 2.329 951 HB3 GLU 115 HB3 GLU 115 15.063 -18.591 2.366 952 HG2 GLU 115 HG2 GLU 115 15.004 -18.254 4.925 953 HG3 GLU 115 HG3 GLU 115 13.479 -17.427 4.614 954 H LEU 116 H LEU 116 17.106 -14.580 2.412 955 HA LEU 116 HA LEU 116 16.495 -14.733 -0.464 956 HB2 LEU 116 HB2 LEU 116 16.788 -12.490 1.447 957 HB3 LEU 116 HB3 LEU 116 17.383 -12.227 -0.191 958 HG LEU 116 HG LEU 116 15.051 -11.419 0.250 959 HD11 LEU 116 HD11 LEU 116 16.097 -12.878 -1.964 960 HD12 LEU 116 HD12 LEU 116 14.937 -11.550 -1.958 961 HD13 LEU 116 HD13 LEU 116 14.371 -13.214 -1.818 962 HD21 LEU 116 HD21 LEU 116 14.338 -13.261 1.698 963 HD22 LEU 116 HD22 LEU 116 14.442 -14.374 0.333 964 HD23 LEU 116 HD23 LEU 116 13.259 -13.065 0.316 965 H ALA 117 H ALA 117 18.185 -13.922 -1.931 966 HA ALA 117 HA ALA 117 20.863 -14.646 -0.939 967 HB1 ALA 117 HB1 ALA 117 21.033 -14.768 -3.675 968 HB2 ALA 117 HB2 ALA 117 20.776 -16.141 -2.597 969 HB3 ALA 117 HB3 ALA 117 19.397 -15.347 -3.359 970 H LEU 118 H LEU 118 22.689 -13.517 -1.923 971 HA LEU 118 HA LEU 118 21.998 -10.766 -2.722 972 HB2 LEU 118 HB2 LEU 118 23.957 -11.809 -0.749 973 HB3 LEU 118 HB3 LEU 118 24.410 -10.384 -1.682 974 HG LEU 118 HG LEU 118 21.835 -10.482 -0.144 975 HD11 LEU 118 HD11 LEU 118 24.298 -9.268 1.018 976 HD12 LEU 118 HD12 LEU 118 23.994 -10.992 1.228 977 HD13 LEU 118 HD13 LEU 118 22.824 -9.812 1.819 978 HD21 LEU 118 HD21 LEU 118 21.921 -8.129 -0.285 979 HD22 LEU 118 HD22 LEU 118 22.338 -8.721 -1.894 980 HD23 LEU 118 HD23 LEU 118 23.605 -8.144 -0.809 981 H GLU 119 H GLU 119 23.159 -9.830 -4.368 982 HA GLU 119 HA GLU 119 25.290 -11.414 -5.613 983 HB2 GLU 119 HB2 GLU 119 22.699 -10.593 -6.835 984 HB3 GLU 119 HB3 GLU 119 24.137 -10.536 -7.844 985 HG2 GLU 119 HG2 GLU 119 24.551 -12.936 -7.135 986 HG3 GLU 119 HG3 GLU 119 22.909 -12.914 -6.493 987 HA PRO 120 HA PRO 120 27.409 -7.614 -6.164 988 HB2 PRO 120 HB2 PRO 120 28.612 -7.954 -8.574 989 HB3 PRO 120 HB3 PRO 120 29.121 -8.814 -7.116 990 HG2 PRO 120 HG2 PRO 120 27.385 -9.760 -9.363 991 HG3 PRO 120 HG3 PRO 120 28.688 -10.617 -8.518 992 HD2 PRO 120 HD2 PRO 120 26.070 -11.041 -7.970 993 HD3 PRO 120 HD3 PRO 120 27.338 -11.169 -6.734 994 H SER 121 H SER 121 27.735 -5.747 -7.688 995 HA SER 121 HA SER 121 25.205 -5.186 -9.064 996 HB2 SER 121 HB2 SER 121 27.266 -3.468 -7.729 997 HB3 SER 121 HB3 SER 121 26.225 -2.769 -8.968 998 HG SER 121 HG SER 121 25.643 -3.484 -6.396 999 H ASP 122 H ASP 122 25.264 -3.966 -11.070 1000 HA ASP 122 HA ASP 122 27.267 -5.014 -12.862 1001 HB2 ASP 122 HB2 ASP 122 24.753 -3.406 -13.211 1002 HB3 ASP 122 HB3 ASP 122 25.887 -3.592 -14.546 1003 H ASP 123 H ASP 123 26.849 -2.179 -11.035 1004 HA ASP 123 HA ASP 123 28.568 -0.582 -12.778 1005 HB2 ASP 123 HB2 ASP 123 28.116 1.209 -11.022 1006 HB3 ASP 123 HB3 ASP 123 26.729 0.669 -11.964 1007 H PHE 124 H PHE 124 29.492 -2.954 -11.230 1008 HA PHE 124 HA PHE 124 31.477 -1.637 -9.500 1009 HB2 PHE 124 HB2 PHE 124 30.173 -3.220 -8.244 1010 HB3 PHE 124 HB3 PHE 124 30.407 -4.462 -9.470 1011 HD1 PHE 124 HD2 PHE 124 32.800 -2.156 -7.783 1012 HD2 PHE 124 HD1 PHE 124 31.620 -6.176 -8.534 1013 HE1 PHE 124 HE2 PHE 124 34.790 -2.961 -6.581 1014 HE2 PHE 124 HE1 PHE 124 33.608 -6.988 -7.332 1015 HZ PHE 124 HZ PHE 124 35.196 -5.380 -6.355 1016 H ASN 125 H ASN 125 33.276 -1.270 -10.632 1017 HA ASN 125 HA ASN 125 34.123 -3.127 -12.703 1018 HB2 ASN 125 HB2 ASN 125 35.190 -0.445 -11.807 1019 HB3 ASN 125 HB3 ASN 125 35.937 -1.413 -13.074 1020 HD21 ASN 125 HD21 ASN 125 33.654 0.927 -12.368 1021 HD22 ASN 125 HD22 ASN 125 32.825 0.947 -13.884 1022 H ASP 126 H ASP 126 36.053 -1.405 -10.265 1023 HA ASP 126 HA ASP 126 36.913 -3.658 -8.839 1024 HB2 ASP 126 HB2 ASP 126 37.986 -3.813 -11.300 1025 HB3 ASP 126 HB3 ASP 126 39.199 -2.798 -10.525 1026 H GLU 127 H GLU 127 39.382 -3.045 -7.994 1027 HA GLU 127 HA GLU 127 40.501 -1.701 -6.538 1028 HB2 GLU 127 HB2 GLU 127 40.663 -0.424 -8.790 1029 HB3 GLU 127 HB3 GLU 127 39.498 0.679 -8.072 1030 HG2 GLU 127 HG2 GLU 127 41.018 1.181 -6.270 1031 HG3 GLU 127 HG3 GLU 127 42.169 -0.012 -6.870 1032 HA PRO 128 HA PRO 128 36.495 -0.675 -4.374 1033 HB2 PRO 128 HB2 PRO 128 36.912 -2.343 -2.272 1034 HB3 PRO 128 HB3 PRO 128 36.131 -2.862 -3.771 1035 HG2 PRO 128 HG2 PRO 128 38.968 -3.229 -2.888 1036 HG3 PRO 128 HG3 PRO 128 37.882 -4.388 -3.677 1037 HD2 PRO 128 HD2 PRO 128 39.789 -3.024 -5.031 1038 HD3 PRO 128 HD3 PRO 128 38.246 -3.496 -5.771 1039 H VAL 129 H VAL 129 36.237 0.426 -2.357 1040 HA VAL 129 HA VAL 129 38.235 2.234 -1.708 1041 HB VAL 129 HB VAL 129 36.943 2.729 0.338 1042 HG11 VAL 129 HG11 VAL 129 34.846 3.359 -0.788 1043 HG12 VAL 129 HG12 VAL 129 36.268 3.738 -1.762 1044 HG13 VAL 129 HG13 VAL 129 35.284 2.326 -2.149 1045 HG21 VAL 129 HG21 VAL 129 35.798 1.102 1.327 1046 HG22 VAL 129 HG22 VAL 129 34.651 1.145 -0.012 1047 HG23 VAL 129 HG23 VAL 129 36.024 0.040 -0.063 1048 H LYS 130 H LYS 130 40.016 2.155 -0.501 1049 HA LYS 130 HA LYS 130 40.768 -0.314 0.777 1050 HB2 LYS 130 HB2 LYS 130 42.099 2.264 0.127 1051 HB3 LYS 130 HB3 LYS 130 42.766 1.333 1.462 1052 HG2 LYS 130 HG2 LYS 130 42.723 -0.640 -0.212 1053 HG3 LYS 130 HG3 LYS 130 42.598 0.626 -1.435 1054 HD2 LYS 130 HD2 LYS 130 44.721 0.713 0.684 1055 HD3 LYS 130 HD3 LYS 130 44.941 -0.230 -0.792 1056 HE2 LYS 130 HE2 LYS 130 44.296 1.939 -2.018 1057 HE3 LYS 130 HE3 LYS 130 44.618 2.736 -0.479 1058 HZ1 LYS 130 HZ1 LYS 130 46.595 2.825 -1.749 1059 HZ2 LYS 130 HZ2 LYS 130 46.522 1.180 -2.134 1060 HZ3 LYS 130 HZ3 LYS 130 46.856 1.662 -0.548 1061 H LEU 131 H LEU 131 39.561 -0.673 2.587 1062 HA LEU 131 HA LEU 131 38.983 1.366 4.503 1063 HB2 LEU 131 HB2 LEU 131 38.637 -1.604 4.408 1064 HB3 LEU 131 HB3 LEU 131 38.371 -0.725 5.912 1065 HG LEU 131 HG LEU 131 36.807 0.709 4.255 1066 HD11 LEU 131 HD11 LEU 131 37.061 -0.511 2.277 1067 HD12 LEU 131 HD12 LEU 131 35.528 -1.072 2.945 1068 HD13 LEU 131 HD13 LEU 131 36.979 -2.061 3.115 1069 HD21 LEU 131 HD21 LEU 131 36.141 -1.807 5.771 1070 HD22 LEU 131 HD22 LEU 131 34.929 -0.710 5.110 1071 HD23 LEU 131 HD23 LEU 131 36.050 -0.143 6.348 1072 H SER 132 H SER 132 41.420 -1.142 4.181 1073 HA SER 132 HA SER 132 42.565 -0.413 6.777 1074 HB2 SER 132 HB2 SER 132 43.156 -2.700 4.887 1075 HB3 SER 132 HB3 SER 132 44.058 -2.396 6.371 1076 HG SER 132 HG SER 132 42.379 -3.019 7.544 1077 H ALA 133 H ALA 133 42.832 1.642 5.097 1078 HA ALA 133 HA ALA 133 44.294 3.034 4.032 1079 HB1 ALA 133 HB1 ALA 133 46.626 1.703 5.279 1080 HB2 ALA 133 HB2 ALA 133 46.192 3.411 5.216 1081 HB3 ALA 133 HB3 ALA 133 45.386 2.338 6.360 Start of MODEL 11 1 H MET 1 H MET 1 2.023 1.726 0.725 2 HA MET 1 HA MET 1 1.195 -0.099 -1.318 3 HB2 MET 1 HB2 MET 1 2.976 2.280 -1.159 4 HB3 MET 1 HB3 MET 1 3.216 1.174 -2.505 5 HG2 MET 1 HG2 MET 1 1.736 2.658 -3.412 6 HG3 MET 1 HG3 MET 1 0.641 1.421 -2.800 7 HE1 MET 1 HE1 MET 1 -1.382 2.695 -2.788 8 HE2 MET 1 HE2 MET 1 -1.404 2.057 -1.144 9 HE3 MET 1 HE3 MET 1 -1.858 3.735 -1.445 10 H THR 2 H THR 2 2.074 -1.985 -1.847 11 HA THR 2 HA THR 2 4.592 -2.767 -0.582 12 HB THR 2 HB THR 2 4.013 -5.061 -1.269 13 HG1 THR 2 HG1 THR 2 1.551 -3.973 -2.194 14 HG21 THR 2 HG21 THR 2 3.207 -4.154 0.889 15 HG22 THR 2 HG22 THR 2 2.128 -5.379 0.221 16 HG23 THR 2 HG23 THR 2 1.707 -3.671 0.099 17 H LEU 3 H LEU 3 6.161 -4.024 -1.850 18 HA LEU 3 HA LEU 3 6.966 -2.647 -4.168 19 HB2 LEU 3 HB2 LEU 3 7.867 -5.413 -3.418 20 HB3 LEU 3 HB3 LEU 3 8.764 -4.174 -4.294 21 HG LEU 3 HG LEU 3 8.038 -4.076 -1.366 22 HD11 LEU 3 HD11 LEU 3 10.466 -4.362 -1.026 23 HD12 LEU 3 HD12 LEU 3 10.651 -4.646 -2.756 24 HD13 LEU 3 HD13 LEU 3 9.707 -5.767 -1.775 25 HD21 LEU 3 HD21 LEU 3 9.770 -2.193 -1.454 26 HD22 LEU 3 HD22 LEU 3 8.156 -1.852 -2.078 27 HD23 LEU 3 HD23 LEU 3 9.482 -2.183 -3.194 28 HA PRO 4 HA PRO 4 4.825 -4.633 -7.447 29 HB2 PRO 4 HB2 PRO 4 6.684 -4.524 -9.422 30 HB3 PRO 4 HB3 PRO 4 5.804 -3.101 -8.851 31 HG2 PRO 4 HG2 PRO 4 8.564 -4.028 -8.153 32 HG3 PRO 4 HG3 PRO 4 7.992 -2.389 -8.511 33 HD2 PRO 4 HD2 PRO 4 8.402 -3.268 -5.983 34 HD3 PRO 4 HD3 PRO 4 7.141 -2.086 -6.390 35 H SER 5 H SER 5 7.797 -5.911 -6.253 36 HA SER 5 HA SER 5 7.887 -8.240 -7.906 37 HB2 SER 5 HB2 SER 5 9.377 -8.985 -5.807 38 HB3 SER 5 HB3 SER 5 9.977 -7.879 -7.042 39 HG SER 5 HG SER 5 10.339 -6.717 -5.293 40 H GLY 6 H GLY 6 6.070 -7.324 -5.161 41 HA2 GLY 6 HA2 GLY 6 4.122 -8.667 -4.618 42 HA3 GLY 6 HA3 GLY 6 5.099 -10.099 -4.908 43 H HIS 7 H HIS 7 6.977 -7.884 -3.309 44 HA HIS 7 HA HIS 7 6.605 -9.312 -0.788 45 HB2 HIS 7 HB2 HIS 7 8.850 -8.099 -2.162 46 HB3 HIS 7 HB3 HIS 7 8.737 -7.521 -0.502 47 HD1 HIS 7 HD1 HIS 7 8.173 -11.000 -1.946 48 HD2 HIS 7 HD2 HIS 7 10.483 -9.037 0.894 49 HE1 HIS 7 HE1 HIS 7 9.508 -12.800 -0.805 50 HA PRO 8 HA PRO 8 4.428 -5.951 1.061 51 HB2 PRO 8 HB2 PRO 8 4.800 -6.634 3.662 52 HB3 PRO 8 HB3 PRO 8 3.679 -7.489 2.595 53 HG2 PRO 8 HG2 PRO 8 6.464 -8.232 3.405 54 HG3 PRO 8 HG3 PRO 8 5.025 -9.260 3.273 55 HD2 PRO 8 HD2 PRO 8 6.938 -9.178 1.358 56 HD3 PRO 8 HD3 PRO 8 5.225 -9.462 0.986 57 H LYS 9 H LYS 9 5.099 -3.923 1.303 58 HA LYS 9 HA LYS 9 7.807 -3.249 1.822 59 HB2 LYS 9 HB2 LYS 9 5.304 -1.813 1.238 60 HB3 LYS 9 HB3 LYS 9 6.451 -0.911 2.220 61 HG2 LYS 9 HG2 LYS 9 7.366 -2.255 -0.284 62 HG3 LYS 9 HG3 LYS 9 6.521 -0.708 -0.362 63 HD2 LYS 9 HD2 LYS 9 8.823 -1.043 1.515 64 HD3 LYS 9 HD3 LYS 9 9.129 -0.776 -0.203 65 HE2 LYS 9 HE2 LYS 9 7.303 1.001 1.388 66 HE3 LYS 9 HE3 LYS 9 9.043 1.277 1.316 67 HZ1 LYS 9 HZ1 LYS 9 7.188 2.185 -0.470 68 HZ2 LYS 9 HZ2 LYS 9 7.905 0.881 -1.274 69 HZ3 LYS 9 HZ3 LYS 9 8.864 2.153 -0.703 70 H SER 10 H SER 10 4.861 -3.172 3.774 71 HA SER 10 HA SER 10 5.867 -1.852 6.015 72 HB2 SER 10 HB2 SER 10 3.447 -2.520 5.513 73 HB3 SER 10 HB3 SER 10 3.863 -4.103 6.171 74 HG SER 10 HG SER 10 4.613 -2.845 8.069 75 H ARG 11 H ARG 11 6.249 -5.150 4.950 76 HA ARG 11 HA ARG 11 7.287 -6.112 7.450 77 HB2 ARG 11 HB2 ARG 11 6.153 -7.422 5.474 78 HB3 ARG 11 HB3 ARG 11 7.792 -7.490 4.843 79 HG2 ARG 11 HG2 ARG 11 7.602 -9.470 6.018 80 HG3 ARG 11 HG3 ARG 11 8.412 -8.407 7.171 81 HD2 ARG 11 HD2 ARG 11 6.747 -9.446 8.434 82 HD3 ARG 11 HD3 ARG 11 6.060 -7.872 8.035 83 HE ARG 11 HE ARG 11 5.333 -9.845 6.119 84 HH11 ARG 11 HH11 ARG 11 4.615 -8.674 9.317 85 HH12 ARG 11 HH12 ARG 11 2.977 -9.236 9.297 86 HH21 ARG 11 HH21 ARG 11 3.178 -10.590 6.079 87 HH22 ARG 11 HH22 ARG 11 2.160 -10.327 7.455 88 H LEU 12 H LEU 12 8.699 -5.312 4.284 89 HA LEU 12 HA LEU 12 11.361 -5.868 4.912 90 HB2 LEU 12 HB2 LEU 12 9.951 -4.244 2.885 91 HB3 LEU 12 HB3 LEU 12 11.652 -3.867 3.148 92 HG LEU 12 HG LEU 12 11.403 -5.388 1.283 93 HD11 LEU 12 HD11 LEU 12 13.379 -6.128 1.971 94 HD12 LEU 12 HD12 LEU 12 12.534 -7.447 2.779 95 HD13 LEU 12 HD13 LEU 12 12.916 -5.971 3.665 96 HD21 LEU 12 HD21 LEU 12 9.864 -6.983 1.248 97 HD22 LEU 12 HD22 LEU 12 9.387 -6.540 2.887 98 HD23 LEU 12 HD23 LEU 12 10.618 -7.777 2.630 99 H ILE 13 H ILE 13 9.545 -2.828 5.186 100 HA ILE 13 HA ILE 13 11.667 -1.239 6.110 101 HB ILE 13 HB ILE 13 8.702 -0.972 6.612 102 HG12 ILE 13 HG12 ILE 13 9.423 -0.860 4.240 103 HG13 ILE 13 HG13 ILE 13 8.766 0.667 4.818 104 HG21 ILE 13 HG21 ILE 13 9.606 1.530 6.877 105 HG22 ILE 13 HG22 ILE 13 9.426 0.425 8.239 106 HG23 ILE 13 HG23 ILE 13 11.008 0.654 7.493 107 HD11 ILE 13 HD11 ILE 13 10.730 1.014 3.438 108 HD12 ILE 13 HD12 ILE 13 11.027 1.533 5.097 109 HD13 ILE 13 HD13 ILE 13 11.685 0.002 4.521 110 H LYS 14 H LYS 14 9.487 -3.423 7.767 111 HA LYS 14 HA LYS 14 10.092 -2.579 10.408 112 HB2 LYS 14 HB2 LYS 14 8.846 -5.033 9.216 113 HB3 LYS 14 HB3 LYS 14 9.248 -4.993 10.927 114 HG2 LYS 14 HG2 LYS 14 7.641 -2.777 9.743 115 HG3 LYS 14 HG3 LYS 14 6.869 -4.320 10.117 116 HD2 LYS 14 HD2 LYS 14 6.962 -3.962 12.336 117 HD3 LYS 14 HD3 LYS 14 8.583 -3.269 12.254 118 HE2 LYS 14 HE2 LYS 14 6.288 -1.702 11.177 119 HE3 LYS 14 HE3 LYS 14 6.502 -1.802 12.924 120 HZ1 LYS 14 HZ1 LYS 14 8.889 -1.100 12.441 121 HZ2 LYS 14 HZ2 LYS 14 7.687 0.081 12.301 122 HZ3 LYS 14 HZ3 LYS 14 8.328 -0.642 10.912 123 H LYS 15 H LYS 15 11.272 -5.288 8.426 124 HA LYS 15 HA LYS 15 13.110 -6.249 10.351 125 HB2 LYS 15 HB2 LYS 15 14.111 -7.482 8.429 126 HB3 LYS 15 HB3 LYS 15 12.373 -7.703 8.582 127 HG2 LYS 15 HG2 LYS 15 12.017 -6.047 6.808 128 HG3 LYS 15 HG3 LYS 15 13.765 -5.867 6.642 129 HD2 LYS 15 HD2 LYS 15 13.363 -7.398 4.988 130 HD3 LYS 15 HD3 LYS 15 13.659 -8.488 6.345 131 HE2 LYS 15 HE2 LYS 15 11.033 -8.150 6.656 132 HE3 LYS 15 HE3 LYS 15 11.136 -7.854 4.921 133 HZ1 LYS 15 HZ1 LYS 15 12.479 -10.215 6.029 134 HZ2 LYS 15 HZ2 LYS 15 11.791 -9.987 4.501 135 HZ3 LYS 15 HZ3 LYS 15 10.798 -10.255 5.843 136 H PHE 16 H PHE 16 13.433 -4.030 7.614 137 HA PHE 16 HA PHE 16 16.221 -3.709 7.732 138 HB2 PHE 16 HB2 PHE 16 14.030 -1.897 6.718 139 HB3 PHE 16 HB3 PHE 16 15.740 -1.510 6.557 140 HD1 PHE 16 HD2 PHE 16 16.665 -4.381 6.057 141 HD2 PHE 16 HD1 PHE 16 13.520 -2.035 4.408 142 HE1 PHE 16 HE2 PHE 16 16.769 -5.704 3.985 143 HE2 PHE 16 HE1 PHE 16 13.619 -3.354 2.334 144 HZ PHE 16 HZ PHE 16 15.244 -5.192 2.120 145 H THR 17 H THR 17 13.708 -2.532 9.749 146 HA THR 17 HA THR 17 15.098 -0.253 10.781 147 HB THR 17 HB THR 17 12.724 -1.783 11.860 148 HG1 THR 17 HG1 THR 17 11.766 0.356 11.152 149 HG21 THR 17 HG21 THR 17 14.068 0.731 12.831 150 HG22 THR 17 HG22 THR 17 13.684 -0.727 13.746 151 HG23 THR 17 HG23 THR 17 12.391 0.345 13.212 152 H ALA 18 H ALA 18 15.171 -3.633 11.404 153 HA ALA 18 HA ALA 18 16.216 -3.428 14.080 154 HB1 ALA 18 HB1 ALA 18 15.133 -5.424 13.859 155 HB2 ALA 18 HB2 ALA 18 15.638 -5.642 12.183 156 HB3 ALA 18 HB3 ALA 18 16.779 -5.941 13.494 157 H LEU 19 H LEU 19 17.503 -2.879 11.058 158 HA LEU 19 HA LEU 19 20.207 -3.703 11.857 159 HB2 LEU 19 HB2 LEU 19 19.405 -2.697 9.146 160 HB3 LEU 19 HB3 LEU 19 20.825 -3.642 9.588 161 HG LEU 19 HG LEU 19 18.032 -4.750 9.753 162 HD11 LEU 19 HD11 LEU 19 17.942 -4.714 7.533 163 HD12 LEU 19 HD12 LEU 19 19.268 -5.876 7.544 164 HD13 LEU 19 HD13 LEU 19 19.609 -4.152 7.401 165 HD21 LEU 19 HD21 LEU 19 20.778 -5.764 10.133 166 HD22 LEU 19 HD22 LEU 19 19.670 -6.821 9.258 167 HD23 LEU 19 HD23 LEU 19 19.264 -6.269 10.884 168 H GLY 20 H GLY 20 18.327 -1.116 12.235 169 HA2 GLY 20 HA2 GLY 20 20.322 0.666 12.932 170 HA3 GLY 20 HA3 GLY 20 19.941 1.015 11.252 171 HA PRO 21 HA PRO 21 17.109 3.632 13.728 172 HB2 PRO 21 HB2 PRO 21 17.144 5.699 11.968 173 HB3 PRO 21 HB3 PRO 21 18.378 5.477 13.214 174 HG2 PRO 21 HG2 PRO 21 18.472 4.766 10.308 175 HG3 PRO 21 HG3 PRO 21 19.721 5.519 11.316 176 HD2 PRO 21 HD2 PRO 21 19.750 2.886 10.684 177 HD3 PRO 21 HD3 PRO 21 20.379 3.505 12.225 178 H TYR 22 H TYR 22 15.034 4.658 13.070 179 HA TYR 22 HA TYR 22 13.440 2.871 11.604 180 HB2 TYR 22 HB2 TYR 22 13.006 5.630 12.701 181 HB3 TYR 22 HB3 TYR 22 11.781 4.884 11.682 182 HD1 TYR 22 HD1 TYR 22 13.887 4.015 14.649 183 HD2 TYR 22 HD2 TYR 22 10.096 3.722 12.740 184 HE1 TYR 22 HE1 TYR 22 13.002 2.814 16.604 185 HE2 TYR 22 HE2 TYR 22 9.200 2.521 14.690 186 HH TYR 22 HH TYR 22 10.169 2.554 17.475 187 H ILE 23 H ILE 23 12.805 2.788 9.526 188 HA ILE 23 HA ILE 23 14.202 4.424 7.609 189 HB ILE 23 HB ILE 23 12.118 2.280 7.183 190 HG12 ILE 23 HG12 ILE 23 14.315 1.112 6.323 191 HG13 ILE 23 HG13 ILE 23 15.105 2.270 7.388 192 HG21 ILE 23 HG21 ILE 23 13.887 3.761 5.251 193 HG22 ILE 23 HG22 ILE 23 13.061 2.255 4.856 194 HG23 ILE 23 HG23 ILE 23 12.125 3.691 5.270 195 HD11 ILE 23 HD11 ILE 23 14.511 -0.079 8.274 196 HD12 ILE 23 HD12 ILE 23 14.203 1.329 9.290 197 HD13 ILE 23 HD13 ILE 23 12.877 0.569 8.410 198 H ARG 24 H ARG 24 13.333 5.901 6.185 199 HA ARG 24 HA ARG 24 10.934 7.230 7.077 200 HB2 ARG 24 HB2 ARG 24 13.000 8.432 6.297 201 HB3 ARG 24 HB3 ARG 24 12.640 7.874 4.669 202 HG2 ARG 24 HG2 ARG 24 10.517 9.079 4.722 203 HG3 ARG 24 HG3 ARG 24 10.877 9.637 6.357 204 HD2 ARG 24 HD2 ARG 24 12.526 11.077 5.648 205 HD3 ARG 24 HD3 ARG 24 12.849 10.153 4.182 206 HE ARG 24 HE ARG 24 11.043 12.319 4.451 207 HH11 ARG 24 HH11 ARG 24 11.438 9.247 2.861 208 HH12 ARG 24 HH12 ARG 24 10.429 9.667 1.516 209 HH21 ARG 24 HH21 ARG 24 9.713 12.883 2.686 210 HH22 ARG 24 HH22 ARG 24 9.449 11.735 1.417 211 H GLU 25 H GLU 25 9.200 5.913 6.617 212 HA GLU 25 HA GLU 25 8.737 4.440 4.323 213 HB2 GLU 25 HB2 GLU 25 6.714 5.856 6.066 214 HB3 GLU 25 HB3 GLU 25 6.332 4.599 4.899 215 HG2 GLU 25 HG2 GLU 25 7.460 2.953 6.150 216 HG3 GLU 25 HG3 GLU 25 8.238 4.158 7.174 217 H GLY 26 H GLY 26 6.876 4.924 2.740 218 HA2 GLY 26 HA2 GLY 26 6.678 7.720 1.962 219 HA3 GLY 26 HA3 GLY 26 7.536 6.677 0.837 220 H GLN 27 H GLN 27 4.946 8.179 0.655 221 HA GLN 27 HA GLN 27 3.241 5.889 -0.076 222 HB2 GLN 27 HB2 GLN 27 2.442 7.349 1.855 223 HB3 GLN 27 HB3 GLN 27 2.211 8.623 0.666 224 HG2 GLN 27 HG2 GLN 27 0.753 6.954 -0.590 225 HG3 GLN 27 HG3 GLN 27 0.784 5.999 0.892 226 HE21 GLN 27 HE21 GLN 27 -0.289 8.955 -0.596 227 HE22 GLN 27 HE22 GLN 27 -1.434 9.389 0.622 228 H CYS 28 H CYS 28 5.005 6.619 -1.931 229 HA CYS 28 HA CYS 28 3.396 8.157 -3.860 230 HB2 CYS 28 HB2 CYS 28 6.402 8.170 -3.530 231 HB3 CYS 28 HB3 CYS 28 5.551 8.906 -4.882 232 HG CYS 28 HG CYS 28 4.689 11.058 -3.657 233 H GLU 29 H GLU 29 4.654 7.739 -6.160 234 HA GLU 29 HA GLU 29 3.880 5.203 -6.964 235 HB2 GLU 29 HB2 GLU 29 5.911 7.065 -8.204 236 HB3 GLU 29 HB3 GLU 29 5.277 5.631 -8.998 237 HG2 GLU 29 HG2 GLU 29 2.971 6.667 -8.623 238 HG3 GLU 29 HG3 GLU 29 3.844 8.159 -8.277 239 H ASP 30 H ASP 30 5.476 3.639 -8.111 240 HA ASP 30 HA ASP 30 6.932 2.275 -6.199 241 HB2 ASP 30 HB2 ASP 30 6.287 1.122 -8.181 242 HB3 ASP 30 HB3 ASP 30 7.145 2.267 -9.209 243 H ASN 31 H ASN 31 8.761 2.718 -5.181 244 HA ASN 31 HA ASN 31 10.920 4.074 -6.614 245 HB2 ASN 31 HB2 ASN 31 11.316 5.595 -4.704 246 HB3 ASN 31 HB3 ASN 31 9.748 5.872 -5.458 247 HD21 ASN 31 HD21 ASN 31 8.154 6.161 -4.095 248 HD22 ASN 31 HD22 ASN 31 8.040 5.508 -2.500 249 H ARG 32 H ARG 32 12.839 4.276 -4.835 250 HA ARG 32 HA ARG 32 13.234 1.518 -3.915 251 HB2 ARG 32 HB2 ARG 32 15.132 3.727 -4.671 252 HB3 ARG 32 HB3 ARG 32 15.676 2.327 -3.757 253 HG2 ARG 32 HG2 ARG 32 15.126 0.848 -5.532 254 HG3 ARG 32 HG3 ARG 32 14.278 2.123 -6.410 255 HD2 ARG 32 HD2 ARG 32 17.236 2.022 -5.825 256 HD3 ARG 32 HD3 ARG 32 16.472 1.705 -7.382 257 HE ARG 32 HE ARG 32 16.976 4.276 -6.182 258 HH11 ARG 32 HH11 ARG 32 15.097 2.499 -8.512 259 HH12 ARG 32 HH12 ARG 32 14.730 3.893 -9.474 260 HH21 ARG 32 HH21 ARG 32 16.500 6.119 -7.439 261 HH22 ARG 32 HH22 ARG 32 15.529 5.951 -8.863 262 H PHE 33 H PHE 33 14.427 1.190 -1.891 263 HA PHE 33 HA PHE 33 13.244 2.635 0.242 264 HB2 PHE 33 HB2 PHE 33 15.456 0.583 0.162 265 HB3 PHE 33 HB3 PHE 33 14.841 1.269 1.662 266 HD1 PHE 33 HD1 PHE 33 12.433 0.918 2.260 267 HD2 PHE 33 HD2 PHE 33 14.331 -1.160 -0.933 268 HE1 PHE 33 HE1 PHE 33 10.642 -0.768 2.299 269 HE2 PHE 33 HE2 PHE 33 12.542 -2.850 -0.900 270 HZ PHE 33 HZ PHE 33 10.696 -2.656 0.718 271 H PHE 34 H PHE 34 14.341 3.822 1.919 272 HA PHE 34 HA PHE 34 16.822 5.128 1.023 273 HB2 PHE 34 HB2 PHE 34 14.492 6.504 2.377 274 HB3 PHE 34 HB3 PHE 34 15.996 7.265 1.866 275 HD1 PHE 34 HD2 PHE 34 16.560 6.900 -0.703 276 HD2 PHE 34 HD1 PHE 34 12.667 6.709 1.008 277 HE1 PHE 34 HE2 PHE 34 15.573 7.376 -2.906 278 HE2 PHE 34 HE1 PHE 34 11.674 7.183 -1.192 279 HZ PHE 34 HZ PHE 34 13.126 7.516 -3.153 280 H PHE 35 H PHE 35 18.293 5.695 2.615 281 HA PHE 35 HA PHE 35 17.644 5.160 5.400 282 HB2 PHE 35 HB2 PHE 35 19.872 3.710 3.954 283 HB3 PHE 35 HB3 PHE 35 19.596 3.669 5.693 284 HD1 PHE 35 HD2 PHE 35 18.344 2.585 2.423 285 HD2 PHE 35 HD1 PHE 35 17.837 2.350 6.642 286 HE1 PHE 35 HE2 PHE 35 16.823 0.672 2.131 287 HE2 PHE 35 HE1 PHE 35 16.317 0.437 6.357 288 HZ PHE 35 HZ PHE 35 15.809 -0.405 4.099 289 H ASP 36 H ASP 36 18.701 6.482 6.764 290 HA ASP 36 HA ASP 36 20.756 8.236 5.603 291 HB2 ASP 36 HB2 ASP 36 19.293 8.823 8.160 292 HB3 ASP 36 HB3 ASP 36 20.057 9.946 7.039 293 H CYS 37 H CYS 37 22.760 7.678 6.118 294 HA CYS 37 HA CYS 37 23.266 6.323 8.665 295 HB2 CYS 37 HB2 CYS 37 24.089 5.465 6.359 296 HB3 CYS 37 HB3 CYS 37 25.309 6.725 6.497 297 HG CYS 37 HG CYS 37 25.203 4.968 9.282 298 H LEU 38 H LEU 38 24.158 7.360 10.319 299 HA LEU 38 HA LEU 38 25.408 9.976 9.813 300 HB2 LEU 38 HB2 LEU 38 23.870 8.871 12.133 301 HB3 LEU 38 HB3 LEU 38 24.966 10.234 12.348 302 HG LEU 38 HG LEU 38 22.555 10.170 10.534 303 HD11 LEU 38 HD11 LEU 38 22.431 12.181 12.523 304 HD12 LEU 38 HD12 LEU 38 22.806 10.655 13.322 305 HD13 LEU 38 HD13 LEU 38 21.374 10.787 12.302 306 HD21 LEU 38 HD21 LEU 38 24.549 12.348 11.140 307 HD22 LEU 38 HD22 LEU 38 23.013 12.602 10.313 308 HD23 LEU 38 HD23 LEU 38 24.250 11.579 9.581 309 H ALA 39 H ALA 39 27.487 10.286 10.316 310 HA ALA 39 HA ALA 39 28.816 8.378 12.109 311 HB1 ALA 39 HB1 ALA 39 30.798 8.453 10.533 312 HB2 ALA 39 HB2 ALA 39 29.400 7.526 9.989 313 HB3 ALA 39 HB3 ALA 39 29.697 9.137 9.337 314 H VAL 40 H VAL 40 29.192 11.417 10.293 315 HA VAL 40 HA VAL 40 30.144 12.745 12.685 316 HB VAL 40 HB VAL 40 32.144 13.681 11.380 317 HG11 VAL 40 HG11 VAL 40 32.691 10.828 11.903 318 HG12 VAL 40 HG12 VAL 40 33.481 12.273 12.538 319 HG13 VAL 40 HG13 VAL 40 31.947 11.733 13.221 320 HG21 VAL 40 HG21 VAL 40 32.451 11.181 9.921 321 HG22 VAL 40 HG22 VAL 40 31.096 12.151 9.343 322 HG23 VAL 40 HG23 VAL 40 32.718 12.842 9.390 323 H CYS 41 H CYS 41 30.153 15.038 12.506 324 HA CYS 41 HA CYS 41 28.301 16.004 10.479 325 HB2 CYS 41 HB2 CYS 41 27.990 16.540 12.908 326 HB3 CYS 41 HB3 CYS 41 29.465 17.496 12.837 327 HG CYS 41 HG CYS 41 26.767 18.838 12.674 328 H VAL 42 H VAL 42 28.742 17.609 9.006 329 HA VAL 42 HA VAL 42 31.514 17.910 8.269 330 HB VAL 42 HB VAL 42 29.892 17.594 6.502 331 HG11 VAL 42 HG11 VAL 42 28.270 19.252 8.029 332 HG12 VAL 42 HG12 VAL 42 28.619 20.191 6.576 333 HG13 VAL 42 HG13 VAL 42 27.899 18.586 6.439 334 HG21 VAL 42 HG21 VAL 42 31.911 19.040 6.140 335 HG22 VAL 42 HG22 VAL 42 30.579 19.330 5.022 336 HG23 VAL 42 HG23 VAL 42 30.864 20.442 6.361 337 H ASN 43 H ASN 43 29.001 19.871 9.720 338 HA ASN 43 HA ASN 43 30.854 21.707 10.812 339 HB2 ASN 43 HB2 ASN 43 30.538 22.328 8.248 340 HB3 ASN 43 HB3 ASN 43 29.087 23.114 8.862 341 HD21 ASN 43 HD21 ASN 43 31.149 24.516 7.672 342 HD22 ASN 43 HD22 ASN 43 31.909 25.516 8.858 343 H VAL 44 H VAL 44 29.957 22.826 12.478 344 HA VAL 44 HA VAL 44 27.046 22.535 12.837 345 HB VAL 44 HB VAL 44 27.393 22.544 15.226 346 HG11 VAL 44 HG11 VAL 44 27.672 20.423 13.876 347 HG12 VAL 44 HG12 VAL 44 29.413 20.633 14.078 348 HG13 VAL 44 HG13 VAL 44 28.380 20.413 15.491 349 HG21 VAL 44 HG21 VAL 44 29.671 22.552 16.182 350 HG22 VAL 44 HG22 VAL 44 30.319 22.896 14.579 351 HG23 VAL 44 HG23 VAL 44 29.266 24.066 15.374 352 H LYS 45 H LYS 45 28.709 24.728 11.561 353 HA LYS 45 HA LYS 45 28.634 26.998 13.248 354 HB2 LYS 45 HB2 LYS 45 29.236 26.420 10.456 355 HB3 LYS 45 HB3 LYS 45 28.423 27.966 10.656 356 HG2 LYS 45 HG2 LYS 45 30.744 27.290 12.402 357 HG3 LYS 45 HG3 LYS 45 31.020 27.823 10.742 358 HD2 LYS 45 HD2 LYS 45 29.114 29.435 12.314 359 HD3 LYS 45 HD3 LYS 45 30.797 29.502 12.841 360 HE2 LYS 45 HE2 LYS 45 30.862 31.167 11.298 361 HE3 LYS 45 HE3 LYS 45 31.181 29.806 10.223 362 HZ1 LYS 45 HZ1 LYS 45 28.381 30.392 10.639 363 HZ2 LYS 45 HZ2 LYS 45 29.214 30.044 9.209 364 HZ3 LYS 45 HZ3 LYS 45 29.241 31.612 9.842 365 HA PRO 46 HA PRO 46 24.524 28.112 10.963 366 HB2 PRO 46 HB2 PRO 46 23.389 26.178 9.433 367 HB3 PRO 46 HB3 PRO 46 24.560 27.340 8.799 368 HG2 PRO 46 HG2 PRO 46 24.985 24.510 9.677 369 HG3 PRO 46 HG3 PRO 46 25.629 25.349 8.253 370 HD2 PRO 46 HD2 PRO 46 27.092 24.951 10.497 371 HD3 PRO 46 HD3 PRO 46 27.301 26.378 9.461 372 H ALA 47 H ALA 47 22.141 27.133 10.978 373 HA ALA 47 HA ALA 47 21.659 26.267 13.617 374 HB1 ALA 47 HB1 ALA 47 19.340 25.699 12.234 375 HB2 ALA 47 HB2 ALA 47 19.743 27.230 13.011 376 HB3 ALA 47 HB3 ALA 47 20.076 26.997 11.295 377 HA PRO 48 HA PRO 48 21.802 21.885 13.447 378 HB2 PRO 48 HB2 PRO 48 19.686 21.174 14.992 379 HB3 PRO 48 HB3 PRO 48 21.167 21.875 15.655 380 HG2 PRO 48 HG2 PRO 48 18.553 23.200 15.045 381 HG3 PRO 48 HG3 PRO 48 19.604 23.396 16.460 382 HD2 PRO 48 HD2 PRO 48 19.561 25.176 14.420 383 HD3 PRO 48 HD3 PRO 48 21.028 24.836 15.360 384 H GLU 49 H GLU 49 18.634 23.313 12.778 385 HA GLU 49 HA GLU 49 17.504 21.006 11.581 386 HB2 GLU 49 HB2 GLU 49 15.725 22.434 10.863 387 HB3 GLU 49 HB3 GLU 49 16.214 22.964 12.466 388 HG2 GLU 49 HG2 GLU 49 17.604 24.727 11.363 389 HG3 GLU 49 HG3 GLU 49 16.858 24.264 9.834 390 H LYS 50 H LYS 50 19.637 23.479 10.442 391 HA LYS 50 HA LYS 50 19.355 22.483 7.685 392 HB2 LYS 50 HB2 LYS 50 20.182 24.575 6.902 393 HB3 LYS 50 HB3 LYS 50 18.955 24.936 8.108 394 HG2 LYS 50 HG2 LYS 50 20.745 25.294 9.770 395 HG3 LYS 50 HG3 LYS 50 21.939 25.030 8.497 396 HD2 LYS 50 HD2 LYS 50 19.798 27.144 8.342 397 HD3 LYS 50 HD3 LYS 50 21.404 27.441 9.013 398 HE2 LYS 50 HE2 LYS 50 22.285 26.512 6.789 399 HE3 LYS 50 HE3 LYS 50 20.641 26.740 6.195 400 HZ1 LYS 50 HZ1 LYS 50 22.533 28.800 7.164 401 HZ2 LYS 50 HZ2 LYS 50 20.877 29.106 7.000 402 HZ3 LYS 50 HZ3 LYS 50 21.797 28.686 5.644 403 H ARG 51 H ARG 51 21.003 21.525 10.103 404 HA ARG 51 HA ARG 51 23.731 21.895 9.272 405 HB2 ARG 51 HB2 ARG 51 22.633 21.308 11.651 406 HB3 ARG 51 HB3 ARG 51 23.017 19.679 11.112 407 HG2 ARG 51 HG2 ARG 51 25.289 20.061 11.134 408 HG3 ARG 51 HG3 ARG 51 25.102 21.809 10.980 409 HD2 ARG 51 HD2 ARG 51 24.215 20.287 13.418 410 HD3 ARG 51 HD3 ARG 51 25.846 20.934 13.244 411 HE ARG 51 HE ARG 51 23.983 22.978 12.746 412 HH11 ARG 51 HH11 ARG 51 25.200 21.030 15.362 413 HH12 ARG 51 HH12 ARG 51 24.890 22.230 16.573 414 HH21 ARG 51 HH21 ARG 51 23.570 24.566 14.330 415 HH22 ARG 51 HH22 ARG 51 23.962 24.241 15.985 416 H GLU 52 H GLU 52 25.121 20.326 8.411 417 HA GLU 52 HA GLU 52 23.738 18.155 6.982 418 HB2 GLU 52 HB2 GLU 52 26.127 19.833 6.278 419 HB3 GLU 52 HB3 GLU 52 25.877 18.266 5.522 420 HG2 GLU 52 HG2 GLU 52 24.023 18.962 4.366 421 HG3 GLU 52 HG3 GLU 52 23.653 20.244 5.518 422 H PHE 53 H PHE 53 24.641 16.095 6.929 423 HA PHE 53 HA PHE 53 26.927 15.616 8.711 424 HB2 PHE 53 HB2 PHE 53 24.510 13.814 8.665 425 HB3 PHE 53 HB3 PHE 53 25.844 13.811 9.814 426 HD1 PHE 53 HD2 PHE 53 26.129 16.443 10.763 427 HD2 PHE 53 HD1 PHE 53 22.547 14.424 9.665 428 HE1 PHE 53 HE2 PHE 53 24.845 17.916 12.257 429 HE2 PHE 53 HE1 PHE 53 21.256 15.895 11.156 430 HZ PHE 53 HZ PHE 53 22.405 17.643 12.456 431 H TRP 54 H TRP 54 28.196 13.806 8.217 432 HA TRP 54 HA TRP 54 28.155 13.071 5.430 433 HB2 TRP 54 HB2 TRP 54 30.001 12.242 7.679 434 HB3 TRP 54 HB3 TRP 54 30.238 11.836 5.982 435 HD1 TRP 54 HD1 TRP 54 31.431 14.218 8.412 436 HE1 TRP 54 HE1 TRP 54 32.385 16.333 7.296 437 HE3 TRP 54 HE3 TRP 54 29.506 13.597 3.717 438 HZ2 TRP 54 HZ2 TRP 54 32.328 17.573 4.761 439 HZ3 TRP 54 HZ3 TRP 54 30.002 15.293 2.005 440 HH2 TRP 54 HH2 TRP 54 31.384 17.240 2.518 441 H GLY 55 H GLY 55 27.897 11.005 4.572 442 HA2 GLY 55 HA2 GLY 55 27.521 8.652 6.052 443 HA3 GLY 55 HA3 GLY 55 25.945 9.381 5.782 444 H TRP 56 H TRP 56 25.073 7.969 4.356 445 HA TRP 56 HA TRP 56 25.768 8.155 1.639 446 HB2 TRP 56 HB2 TRP 56 26.453 5.744 1.308 447 HB3 TRP 56 HB3 TRP 56 27.657 6.769 2.086 448 HD1 TRP 56 HD1 TRP 56 28.224 6.274 4.647 449 HE1 TRP 56 HE1 TRP 56 27.794 4.226 6.145 450 HE3 TRP 56 HE3 TRP 56 24.760 3.868 1.757 451 HZ2 TRP 56 HZ2 TRP 56 26.199 1.897 6.106 452 HZ3 TRP 56 HZ3 TRP 56 23.832 1.735 2.560 453 HH2 TRP 56 HH2 TRP 56 24.538 0.771 4.689 454 H TRP 57 H TRP 57 23.950 7.806 0.548 455 HA TRP 57 HA TRP 57 21.709 6.551 1.886 456 HB2 TRP 57 HB2 TRP 57 20.443 7.273 -0.147 457 HB3 TRP 57 HB3 TRP 57 21.257 8.592 0.690 458 HD1 TRP 57 HD1 TRP 57 21.733 6.363 -2.438 459 HE1 TRP 57 HE1 TRP 57 23.066 7.710 -4.180 460 HE3 TRP 57 HE3 TRP 57 22.708 10.541 0.341 461 HZ2 TRP 57 HZ2 TRP 57 24.361 10.213 -4.352 462 HZ3 TRP 57 HZ3 TRP 57 24.001 12.366 -0.686 463 HH2 TRP 57 HH2 TRP 57 24.809 12.203 -2.984 464 H MET 58 H MET 58 20.632 4.710 1.225 465 HA MET 58 HA MET 58 21.956 3.110 -0.863 466 HB2 MET 58 HB2 MET 58 22.148 2.494 1.744 467 HB3 MET 58 HB3 MET 58 20.628 1.688 1.377 468 HG2 MET 58 HG2 MET 58 22.680 1.155 -0.606 469 HG3 MET 58 HG3 MET 58 23.154 0.661 1.018 470 HE1 MET 58 HE1 MET 58 21.896 -0.539 2.521 471 HE2 MET 58 HE2 MET 58 20.219 -1.038 2.293 472 HE3 MET 58 HE3 MET 58 21.529 -2.178 1.983 473 H GLU 59 H GLU 59 20.603 2.905 -2.516 474 HA GLU 59 HA GLU 59 17.728 2.604 -1.949 475 HB2 GLU 59 HB2 GLU 59 17.447 3.374 -4.354 476 HB3 GLU 59 HB3 GLU 59 18.004 4.585 -3.207 477 HG2 GLU 59 HG2 GLU 59 20.323 4.173 -3.976 478 HG3 GLU 59 HG3 GLU 59 19.680 3.083 -5.203 479 H LEU 60 H LEU 60 17.010 0.603 -2.192 480 HA LEU 60 HA LEU 60 18.100 -1.034 -4.380 481 HB2 LEU 60 HB2 LEU 60 17.993 -3.006 -2.961 482 HB3 LEU 60 HB3 LEU 60 19.084 -1.794 -2.293 483 HG LEU 60 HG LEU 60 16.296 -1.820 -1.279 484 HD11 LEU 60 HD11 LEU 60 17.130 -3.562 0.427 485 HD12 LEU 60 HD12 LEU 60 18.286 -4.010 -0.827 486 HD13 LEU 60 HD13 LEU 60 16.555 -4.122 -1.143 487 HD21 LEU 60 HD21 LEU 60 17.197 -0.671 0.415 488 HD22 LEU 60 HD22 LEU 60 18.596 -0.481 -0.643 489 HD23 LEU 60 HD23 LEU 60 18.567 -1.773 0.559 490 H GLU 61 H GLU 61 16.658 -2.765 -5.089 491 HA GLU 61 HA GLU 61 13.834 -2.327 -4.416 492 HB2 GLU 61 HB2 GLU 61 14.809 -1.255 -6.667 493 HB3 GLU 61 HB3 GLU 61 14.485 -2.877 -7.262 494 HG2 GLU 61 HG2 GLU 61 12.571 -1.599 -7.744 495 HG3 GLU 61 HG3 GLU 61 12.149 -2.622 -6.371 496 H ALA 62 H ALA 62 13.161 -4.198 -3.608 497 HA ALA 62 HA ALA 62 14.359 -6.674 -3.860 498 HB1 ALA 62 HB1 ALA 62 12.355 -5.763 -2.367 499 HB2 ALA 62 HB2 ALA 62 11.410 -6.637 -3.574 500 HB3 ALA 62 HB3 ALA 62 12.632 -7.486 -2.628 501 H GLN 63 H GLN 63 14.667 -7.917 -5.578 502 HA GLN 63 HA GLN 63 13.169 -7.538 -8.000 503 HB2 GLN 63 HB2 GLN 63 15.692 -8.535 -7.355 504 HB3 GLN 63 HB3 GLN 63 14.806 -9.934 -7.946 505 HG2 GLN 63 HG2 GLN 63 14.141 -8.199 -9.852 506 HG3 GLN 63 HG3 GLN 63 15.687 -7.501 -9.372 507 HE21 GLN 63 HE21 GLN 63 14.543 -9.183 -11.714 508 HE22 GLN 63 HE22 GLN 63 15.783 -10.354 -11.982 509 H GLU 64 H GLU 64 12.883 -10.018 -9.076 510 HA GLU 64 HA GLU 64 10.409 -10.863 -8.200 511 HB2 GLU 64 HB2 GLU 64 11.788 -11.440 -10.357 512 HB3 GLU 64 HB3 GLU 64 12.290 -12.843 -9.424 513 HG2 GLU 64 HG2 GLU 64 9.904 -13.420 -9.098 514 HG3 GLU 64 HG3 GLU 64 9.475 -12.079 -10.159 515 H LYS 65 H LYS 65 13.542 -12.432 -7.546 516 HA LYS 65 HA LYS 65 12.536 -13.316 -4.960 517 HB2 LYS 65 HB2 LYS 65 13.304 -15.643 -5.357 518 HB3 LYS 65 HB3 LYS 65 11.944 -15.183 -6.373 519 HG2 LYS 65 HG2 LYS 65 13.203 -16.148 -7.971 520 HG3 LYS 65 HG3 LYS 65 13.948 -14.549 -8.027 521 HD2 LYS 65 HD2 LYS 65 15.809 -15.247 -6.793 522 HD3 LYS 65 HD3 LYS 65 14.984 -16.689 -6.195 523 HE2 LYS 65 HE2 LYS 65 15.425 -16.365 -9.128 524 HE3 LYS 65 HE3 LYS 65 16.773 -16.860 -8.105 525 HZ1 LYS 65 HZ1 LYS 65 15.081 -18.578 -9.186 526 HZ2 LYS 65 HZ2 LYS 65 14.265 -18.291 -7.733 527 HZ3 LYS 65 HZ3 LYS 65 15.855 -18.868 -7.711 528 H ARG 66 H ARG 66 14.585 -11.446 -6.020 529 HA ARG 66 HA ARG 66 16.794 -12.408 -4.375 530 HB2 ARG 66 HB2 ARG 66 16.914 -11.927 -7.298 531 HB3 ARG 66 HB3 ARG 66 18.251 -11.298 -6.346 532 HG2 ARG 66 HG2 ARG 66 19.006 -13.374 -5.775 533 HG3 ARG 66 HG3 ARG 66 17.406 -14.109 -5.894 534 HD2 ARG 66 HD2 ARG 66 17.510 -14.213 -8.237 535 HD3 ARG 66 HD3 ARG 66 18.860 -13.081 -8.311 536 HE ARG 66 HE ARG 66 19.507 -15.479 -6.892 537 HH11 ARG 66 HH11 ARG 66 19.217 -14.057 -10.056 538 HH12 ARG 66 HH12 ARG 66 20.345 -15.146 -10.792 539 HH21 ARG 66 HH21 ARG 66 20.994 -16.919 -7.849 540 HH22 ARG 66 HH22 ARG 66 21.355 -16.775 -9.536 541 H PHE 67 H PHE 67 18.336 -10.678 -3.836 542 HA PHE 67 HA PHE 67 17.063 -8.022 -3.929 543 HB2 PHE 67 HB2 PHE 67 18.050 -9.600 -1.667 544 HB3 PHE 67 HB3 PHE 67 18.683 -7.958 -1.700 545 HD1 PHE 67 HD1 PHE 67 15.603 -9.977 -1.578 546 HD2 PHE 67 HD2 PHE 67 17.314 -6.100 -1.179 547 HE1 PHE 67 HE1 PHE 67 13.499 -9.153 -0.606 548 HE2 PHE 67 HE2 PHE 67 15.213 -5.270 -0.205 549 HZ PHE 67 HZ PHE 67 13.302 -6.796 0.081 550 H THR 68 H THR 68 18.514 -6.193 -3.847 551 HA THR 68 HA THR 68 21.299 -6.750 -4.560 552 HB THR 68 HB THR 68 20.240 -6.554 -6.716 553 HG1 THR 68 HG1 THR 68 22.089 -5.509 -6.985 554 HG21 THR 68 HG21 THR 68 18.946 -4.612 -7.381 555 HG22 THR 68 HG22 THR 68 19.166 -3.887 -5.788 556 HG23 THR 68 HG23 THR 68 18.211 -5.359 -5.963 557 H TYR 69 H TYR 69 22.689 -4.856 -4.415 558 HA TYR 69 HA TYR 69 21.669 -2.466 -3.175 559 HB2 TYR 69 HB2 TYR 69 22.707 -2.652 -1.065 560 HB3 TYR 69 HB3 TYR 69 21.908 -4.200 -1.311 561 HD1 TYR 69 HD1 TYR 69 23.570 -5.895 -2.724 562 HD2 TYR 69 HD2 TYR 69 24.762 -2.808 -0.049 563 HE1 TYR 69 HE1 TYR 69 25.701 -7.061 -2.337 564 HE2 TYR 69 HE2 TYR 69 26.897 -3.965 0.345 565 HH TYR 69 HH TYR 69 27.599 -7.093 -1.180 566 H ARG 70 H ARG 70 23.531 -0.965 -2.590 567 HA ARG 70 HA ARG 70 26.022 -1.466 -3.975 568 HB2 ARG 70 HB2 ARG 70 25.877 0.317 -5.540 569 HB3 ARG 70 HB3 ARG 70 24.401 -0.622 -5.720 570 HG2 ARG 70 HG2 ARG 70 23.350 1.337 -5.598 571 HG3 ARG 70 HG3 ARG 70 23.675 1.252 -3.865 572 HD2 ARG 70 HD2 ARG 70 24.896 3.099 -4.025 573 HD3 ARG 70 HD3 ARG 70 26.009 2.251 -5.098 574 HE ARG 70 HE ARG 70 25.118 3.398 -6.864 575 HH11 ARG 70 HH11 ARG 70 22.957 3.642 -4.146 576 HH12 ARG 70 HH12 ARG 70 21.914 4.795 -4.913 577 HH21 ARG 70 HH21 ARG 70 23.753 4.915 -7.884 578 HH22 ARG 70 HH22 ARG 70 22.368 5.517 -7.039 579 H TYR 71 H TYR 71 27.666 0.044 -3.454 580 HA TYR 71 HA TYR 71 27.031 1.692 -1.097 581 HB2 TYR 71 HB2 TYR 71 29.533 1.416 -0.615 582 HB3 TYR 71 HB3 TYR 71 28.509 0.005 -0.375 583 HD1 TYR 71 HD1 TYR 71 28.580 -1.865 -1.986 584 HD2 TYR 71 HD2 TYR 71 31.234 1.446 -2.303 585 HE1 TYR 71 HE1 TYR 71 30.021 -3.172 -3.491 586 HE2 TYR 71 HE2 TYR 71 32.682 0.149 -3.810 587 HH TYR 71 HH TYR 71 31.745 -3.047 -4.957 588 H GLN 72 H GLN 72 27.040 3.795 -1.491 589 HA GLN 72 HA GLN 72 29.064 4.882 -3.324 590 HB2 GLN 72 HB2 GLN 72 26.813 4.747 -4.420 591 HB3 GLN 72 HB3 GLN 72 26.203 5.844 -3.188 592 HG2 GLN 72 HG2 GLN 72 26.714 7.020 -5.252 593 HG3 GLN 72 HG3 GLN 72 27.744 7.567 -3.930 594 HE21 GLN 72 HE21 GLN 72 27.621 5.585 -6.821 595 HE22 GLN 72 HE22 GLN 72 29.319 5.608 -7.138 596 H PHE 73 H PHE 73 29.860 6.923 -2.818 597 HA PHE 73 HA PHE 73 29.419 7.723 -0.043 598 HB2 PHE 73 HB2 PHE 73 31.610 8.116 -2.031 599 HB3 PHE 73 HB3 PHE 73 31.425 9.310 -0.750 600 HD1 PHE 73 HD2 PHE 73 31.898 5.689 -1.377 601 HD2 PHE 73 HD1 PHE 73 32.237 8.898 1.399 602 HE1 PHE 73 HE2 PHE 73 33.133 4.222 0.163 603 HE2 PHE 73 HE1 PHE 73 33.473 7.435 2.944 604 HZ PHE 73 HZ PHE 73 33.921 5.094 2.327 605 H GLY 74 H GLY 74 28.916 9.845 0.569 606 HA2 GLY 74 HA2 GLY 74 28.518 11.966 -1.267 607 HA3 GLY 74 HA3 GLY 74 26.988 11.165 -0.943 608 H LEU 75 H LEU 75 26.050 12.879 0.127 609 HA LEU 75 HA LEU 75 26.993 13.276 2.859 610 HB2 LEU 75 HB2 LEU 75 28.017 15.122 1.785 611 HB3 LEU 75 HB3 LEU 75 26.565 15.471 0.849 612 HG LEU 75 HG LEU 75 25.440 16.108 2.995 613 HD11 LEU 75 HD11 LEU 75 27.525 14.853 4.204 614 HD12 LEU 75 HD12 LEU 75 26.457 16.015 4.990 615 HD13 LEU 75 HD13 LEU 75 28.008 16.544 4.338 616 HD21 LEU 75 HD21 LEU 75 26.574 18.285 3.160 617 HD22 LEU 75 HD22 LEU 75 26.301 17.798 1.487 618 HD23 LEU 75 HD23 LEU 75 27.908 17.648 2.199 619 H PHE 76 H PHE 76 25.378 13.799 4.326 620 HA PHE 76 HA PHE 76 22.654 13.409 3.318 621 HB2 PHE 76 HB2 PHE 76 23.406 11.868 5.075 622 HB3 PHE 76 HB3 PHE 76 23.736 13.233 6.138 623 HD1 PHE 76 HD1 PHE 76 20.831 12.483 3.931 624 HD2 PHE 76 HD2 PHE 76 22.250 13.120 7.892 625 HE1 PHE 76 HE1 PHE 76 18.521 12.380 4.771 626 HE2 PHE 76 HE2 PHE 76 19.942 13.017 8.739 627 HZ PHE 76 HZ PHE 76 18.073 12.648 7.178 628 H ASP 77 H ASP 77 21.927 15.380 2.691 629 HA ASP 77 HA ASP 77 22.414 17.753 4.241 630 HB2 ASP 77 HB2 ASP 77 20.989 18.868 2.571 631 HB3 ASP 77 HB3 ASP 77 22.239 17.891 1.807 632 H LYS 78 H LYS 78 20.357 19.198 4.614 633 HA LYS 78 HA LYS 78 18.768 17.797 6.559 634 HB2 LYS 78 HB2 LYS 78 17.768 20.023 6.985 635 HB3 LYS 78 HB3 LYS 78 19.525 20.040 7.063 636 HG2 LYS 78 HG2 LYS 78 18.453 20.664 4.417 637 HG3 LYS 78 HG3 LYS 78 17.986 21.810 5.676 638 HD2 LYS 78 HD2 LYS 78 20.026 22.704 5.708 639 HD3 LYS 78 HD3 LYS 78 20.775 21.118 5.907 640 HE2 LYS 78 HE2 LYS 78 21.661 21.620 3.886 641 HE3 LYS 78 HE3 LYS 78 20.125 20.972 3.313 642 HZ1 LYS 78 HZ1 LYS 78 20.829 23.178 2.364 643 HZ2 LYS 78 HZ2 LYS 78 20.519 23.851 3.884 644 HZ3 LYS 78 HZ3 LYS 78 19.267 23.123 3.010 645 H GLU 79 H GLU 79 18.393 18.831 3.278 646 HA GLU 79 HA GLU 79 15.503 18.563 3.319 647 HB2 GLU 79 HB2 GLU 79 17.535 19.408 1.302 648 HB3 GLU 79 HB3 GLU 79 15.972 18.842 0.730 649 HG2 GLU 79 HG2 GLU 79 14.824 20.573 1.838 650 HG3 GLU 79 HG3 GLU 79 16.243 21.006 2.791 651 H GLY 80 H GLY 80 18.130 16.504 3.051 652 HA2 GLY 80 HA2 GLY 80 18.243 14.246 2.621 653 HA3 GLY 80 HA3 GLY 80 16.493 14.252 2.460 654 H ASN 81 H ASN 81 18.206 16.459 0.472 655 HA ASN 81 HA ASN 81 17.516 14.854 -1.871 656 HB2 ASN 81 HB2 ASN 81 18.139 17.764 -1.444 657 HB3 ASN 81 HB3 ASN 81 18.191 17.061 -3.058 658 HD21 ASN 81 HD21 ASN 81 16.368 18.970 -1.445 659 HD22 ASN 81 HD22 ASN 81 14.782 18.418 -1.852 660 H TRP 82 H TRP 82 18.983 14.007 -3.240 661 HA TRP 82 HA TRP 82 21.578 13.475 -2.454 662 HB2 TRP 82 HB2 TRP 82 21.984 12.756 -4.762 663 HB3 TRP 82 HB3 TRP 82 20.404 12.213 -4.204 664 HD1 TRP 82 HD1 TRP 82 18.262 13.774 -5.103 665 HE1 TRP 82 HE1 TRP 82 17.951 14.882 -7.405 666 HE3 TRP 82 HE3 TRP 82 23.128 13.770 -6.669 667 HZ2 TRP 82 HZ2 TRP 82 19.557 15.653 -9.595 668 HZ3 TRP 82 HZ3 TRP 82 23.656 14.711 -8.880 669 HH2 TRP 82 HH2 TRP 82 21.906 15.632 -10.312 670 H THR 83 H THR 83 23.396 14.617 -2.386 671 HA THR 83 HA THR 83 23.718 16.914 -4.184 672 HB THR 83 HB THR 83 24.486 17.086 -1.274 673 HG1 THR 83 HG1 THR 83 22.468 17.520 -0.842 674 HG21 THR 83 HG21 THR 83 25.655 18.776 -2.250 675 HG22 THR 83 HG22 THR 83 24.110 19.610 -2.088 676 HG23 THR 83 HG23 THR 83 24.562 18.881 -3.629 677 H VAL 84 H VAL 84 25.396 16.273 -5.390 678 HA VAL 84 HA VAL 84 27.449 14.539 -4.535 679 HB VAL 84 HB VAL 84 28.663 15.349 -6.592 680 HG11 VAL 84 HG11 VAL 84 25.951 14.692 -7.538 681 HG12 VAL 84 HG12 VAL 84 27.492 13.889 -7.851 682 HG13 VAL 84 HG13 VAL 84 26.633 13.593 -6.339 683 HG21 VAL 84 HG21 VAL 84 26.401 16.645 -7.789 684 HG22 VAL 84 HG22 VAL 84 26.889 17.510 -6.331 685 HG23 VAL 84 HG23 VAL 84 28.058 17.225 -7.620 686 H VAL 85 H VAL 85 28.966 14.971 -3.085 687 HA VAL 85 HA VAL 85 30.456 17.467 -3.259 688 HB VAL 85 HB VAL 85 28.723 18.026 -1.650 689 HG11 VAL 85 HG11 VAL 85 29.707 15.781 0.092 690 HG12 VAL 85 HG12 VAL 85 28.281 16.796 0.317 691 HG13 VAL 85 HG13 VAL 85 28.325 15.612 -0.990 692 HG21 VAL 85 HG21 VAL 85 30.174 18.547 0.307 693 HG22 VAL 85 HG22 VAL 85 31.433 17.546 -0.417 694 HG23 VAL 85 HG23 VAL 85 30.877 19.000 -1.245 695 HA PRO 86 HA PRO 86 33.731 14.585 -2.524 696 HB2 PRO 86 HB2 PRO 86 35.718 16.401 -2.172 697 HB3 PRO 86 HB3 PRO 86 35.042 16.012 -3.758 698 HG2 PRO 86 HG2 PRO 86 34.443 18.329 -1.960 699 HG3 PRO 86 HG3 PRO 86 34.684 18.309 -3.717 700 HD2 PRO 86 HD2 PRO 86 32.226 18.397 -2.585 701 HD3 PRO 86 HD3 PRO 86 32.537 17.580 -4.130 702 H ILE 87 H ILE 87 34.946 13.775 -0.816 703 HA ILE 87 HA ILE 87 34.214 14.827 1.814 704 HB ILE 87 HB ILE 87 35.512 12.203 1.071 705 HG12 ILE 87 HG12 ILE 87 33.164 12.419 0.324 706 HG13 ILE 87 HG13 ILE 87 33.348 11.208 1.588 707 HG21 ILE 87 HG21 ILE 87 36.206 12.395 3.224 708 HG22 ILE 87 HG22 ILE 87 34.908 13.504 3.661 709 HG23 ILE 87 HG23 ILE 87 34.584 11.776 3.531 710 HD11 ILE 87 HD11 ILE 87 31.360 12.524 1.956 711 HD12 ILE 87 HD12 ILE 87 32.535 12.833 3.234 712 HD13 ILE 87 HD13 ILE 87 32.310 14.009 1.941 713 H ASN 88 H ASN 88 35.594 16.013 2.945 714 HA ASN 88 HA ASN 88 38.405 16.081 2.143 715 HB2 ASN 88 HB2 ASN 88 36.957 17.894 4.083 716 HB3 ASN 88 HB3 ASN 88 38.550 18.155 3.378 717 HD21 ASN 88 HD21 ASN 88 38.496 18.057 0.889 718 HD22 ASN 88 HD22 ASN 88 37.236 18.975 0.144 719 H GLU 89 H GLU 89 40.095 16.021 3.737 720 HA GLU 89 HA GLU 89 41.204 15.115 5.505 721 HB2 GLU 89 HB2 GLU 89 38.599 15.123 7.017 722 HB3 GLU 89 HB3 GLU 89 40.229 15.244 7.662 723 HG2 GLU 89 HG2 GLU 89 40.320 17.437 6.261 724 HG3 GLU 89 HG3 GLU 89 38.563 17.320 6.325 725 H THR 90 H THR 90 41.806 13.102 4.996 726 HA THR 90 HA THR 90 40.204 10.952 4.334 727 HB THR 90 HB THR 90 42.626 10.963 3.954 728 HG1 THR 90 HG1 THR 90 42.207 8.755 5.646 729 HG21 THR 90 HG21 THR 90 44.196 10.535 5.747 730 HG22 THR 90 HG22 THR 90 42.882 10.464 6.922 731 HG23 THR 90 HG23 THR 90 43.267 11.986 6.119 732 H GLU 91 H GLU 91 41.034 12.191 7.481 733 HA GLU 91 HA GLU 91 40.533 10.004 9.104 734 HB2 GLU 91 HB2 GLU 91 39.794 11.745 10.811 735 HB3 GLU 91 HB3 GLU 91 41.408 11.932 10.139 736 HG2 GLU 91 HG2 GLU 91 40.821 13.780 8.889 737 HG3 GLU 91 HG3 GLU 91 39.106 13.375 8.906 738 H VAL 92 H VAL 92 38.281 12.174 7.513 739 HA VAL 92 HA VAL 92 35.970 11.113 8.865 740 HB VAL 92 HB VAL 92 36.162 12.887 6.427 741 HG11 VAL 92 HG11 VAL 92 34.018 12.277 6.155 742 HG12 VAL 92 HG12 VAL 92 33.893 11.619 7.788 743 HG13 VAL 92 HG13 VAL 92 33.717 13.354 7.519 744 HG21 VAL 92 HG21 VAL 92 36.937 14.273 8.057 745 HG22 VAL 92 HG22 VAL 92 35.207 14.495 8.318 746 HG23 VAL 92 HG23 VAL 92 36.120 13.394 9.350 747 H VAL 93 H VAL 93 37.633 10.584 5.825 748 HA VAL 93 HA VAL 93 35.584 9.012 4.618 749 HB VAL 93 HB VAL 93 37.915 10.144 3.712 750 HG11 VAL 93 HG11 VAL 93 39.334 8.366 2.890 751 HG12 VAL 93 HG12 VAL 93 39.211 8.265 4.647 752 HG13 VAL 93 HG13 VAL 93 38.292 7.153 3.632 753 HG21 VAL 93 HG21 VAL 93 37.089 9.636 1.654 754 HG22 VAL 93 HG22 VAL 93 36.750 7.958 2.080 755 HG23 VAL 93 HG23 VAL 93 35.664 9.241 2.616 756 H GLU 94 H GLU 94 38.355 8.314 6.658 757 HA GLU 94 HA GLU 94 38.289 5.489 6.304 758 HB2 GLU 94 HB2 GLU 94 39.803 5.412 8.223 759 HB3 GLU 94 HB3 GLU 94 40.305 6.643 7.074 760 HG2 GLU 94 HG2 GLU 94 39.543 8.391 8.459 761 HG3 GLU 94 HG3 GLU 94 38.655 7.278 9.499 762 H ARG 95 H ARG 95 36.635 7.731 8.391 763 HA ARG 95 HA ARG 95 35.725 5.780 10.275 764 HB2 ARG 95 HB2 ARG 95 35.915 8.144 10.884 765 HB3 ARG 95 HB3 ARG 95 34.703 8.562 9.680 766 HG2 ARG 95 HG2 ARG 95 33.506 8.562 11.657 767 HG3 ARG 95 HG3 ARG 95 33.166 6.965 10.989 768 HD2 ARG 95 HD2 ARG 95 33.641 6.606 13.267 769 HD3 ARG 95 HD3 ARG 95 35.099 6.124 12.400 770 HE ARG 95 HE ARG 95 35.433 8.782 13.089 771 HH11 ARG 95 HH11 ARG 95 34.981 5.743 14.726 772 HH12 ARG 95 HH12 ARG 95 35.874 6.219 16.133 773 HH21 ARG 95 HH21 ARG 95 36.611 9.420 14.936 774 HH22 ARG 95 HH22 ARG 95 36.799 8.311 16.251 775 H LEU 96 H LEU 96 34.318 7.367 7.439 776 HA LEU 96 HA LEU 96 31.764 6.152 7.678 777 HB2 LEU 96 HB2 LEU 96 33.217 7.714 5.624 778 HB3 LEU 96 HB3 LEU 96 31.866 6.726 5.069 779 HG LEU 96 HG LEU 96 31.248 9.078 5.506 780 HD11 LEU 96 HD11 LEU 96 29.293 8.552 6.986 781 HD12 LEU 96 HD12 LEU 96 29.988 6.948 7.219 782 HD13 LEU 96 HD13 LEU 96 29.501 7.472 5.607 783 HD21 LEU 96 HD21 LEU 96 31.051 9.773 7.897 784 HD22 LEU 96 HD22 LEU 96 32.709 9.639 7.311 785 HD23 LEU 96 HD23 LEU 96 32.028 8.370 8.329 786 H GLU 97 H GLU 97 34.752 5.248 6.073 787 HA GLU 97 HA GLU 97 33.818 3.219 4.412 788 HB2 GLU 97 HB2 GLU 97 36.426 3.785 5.752 789 HB3 GLU 97 HB3 GLU 97 36.200 2.220 4.983 790 HG2 GLU 97 HG2 GLU 97 35.889 3.193 2.861 791 HG3 GLU 97 HG3 GLU 97 35.699 4.806 3.547 792 H TYR 98 H TYR 98 34.713 3.125 7.831 793 HA TYR 98 HA TYR 98 34.362 0.311 8.110 794 HB2 TYR 98 HB2 TYR 98 35.783 1.428 9.680 795 HB3 TYR 98 HB3 TYR 98 34.506 2.554 10.127 796 HD1 TYR 98 HD2 TYR 98 32.633 1.808 11.540 797 HD2 TYR 98 HD1 TYR 98 35.885 -0.778 10.625 798 HE1 TYR 98 HE2 TYR 98 31.958 0.319 13.377 799 HE2 TYR 98 HE1 TYR 98 35.218 -2.275 12.459 800 HH TYR 98 HH TYR 98 33.837 -1.880 14.747 801 H THR 99 H THR 99 32.302 3.122 8.597 802 HA THR 99 HA THR 99 30.168 1.782 9.878 803 HB THR 99 HB THR 99 28.849 3.729 9.471 804 HG1 THR 99 HG1 THR 99 29.193 5.076 7.810 805 HG21 THR 99 HG21 THR 99 31.440 3.866 10.562 806 HG22 THR 99 HG22 THR 99 30.073 4.930 10.894 807 HG23 THR 99 HG23 THR 99 31.221 5.339 9.619 808 H LEU 100 H LEU 100 30.739 2.634 6.475 809 HA LEU 100 HA LEU 100 28.314 1.462 5.543 810 HB2 LEU 100 HB2 LEU 100 29.021 2.023 3.402 811 HB3 LEU 100 HB3 LEU 100 29.742 3.264 4.426 812 HG LEU 100 HG LEU 100 31.808 1.600 4.347 813 HD11 LEU 100 HD11 LEU 100 31.753 0.010 2.802 814 HD12 LEU 100 HD12 LEU 100 31.250 1.158 1.561 815 HD13 LEU 100 HD13 LEU 100 30.041 0.365 2.570 816 HD21 LEU 100 HD21 LEU 100 31.613 3.998 3.578 817 HD22 LEU 100 HD22 LEU 100 31.195 3.364 1.987 818 HD23 LEU 100 HD23 LEU 100 32.768 2.998 2.698 819 H ARG 101 H ARG 101 31.623 0.342 5.915 820 HA ARG 101 HA ARG 101 31.338 -2.061 4.442 821 HB2 ARG 101 HB2 ARG 101 33.523 -1.042 5.008 822 HB3 ARG 101 HB3 ARG 101 33.252 -1.443 6.698 823 HG2 ARG 101 HG2 ARG 101 33.117 -3.638 4.703 824 HG3 ARG 101 HG3 ARG 101 34.700 -2.976 5.119 825 HD2 ARG 101 HD2 ARG 101 33.765 -3.268 7.579 826 HD3 ARG 101 HD3 ARG 101 32.765 -4.489 6.793 827 HE ARG 101 HE ARG 101 35.434 -4.866 6.019 828 HH11 ARG 101 HH11 ARG 101 33.401 -5.145 8.831 829 HH12 ARG 101 HH12 ARG 101 34.345 -6.409 9.549 830 HH21 ARG 101 HH21 ARG 101 36.685 -6.529 6.953 831 HH22 ARG 101 HH22 ARG 101 36.213 -7.195 8.480 832 H GLU 102 H GLU 102 30.970 -1.270 7.872 833 HA GLU 102 HA GLU 102 30.447 -3.956 8.681 834 HB2 GLU 102 HB2 GLU 102 30.395 -1.279 9.951 835 HB3 GLU 102 HB3 GLU 102 29.378 -2.510 10.687 836 HG2 GLU 102 HG2 GLU 102 32.326 -2.809 10.160 837 HG3 GLU 102 HG3 GLU 102 31.616 -2.346 11.706 838 H PHE 103 H PHE 103 28.488 -1.264 7.607 839 HA PHE 103 HA PHE 103 25.975 -2.170 8.459 840 HB2 PHE 103 HB2 PHE 103 26.631 0.110 7.455 841 HB3 PHE 103 HB3 PHE 103 26.405 -0.662 5.889 842 HD1 PHE 103 HD2 PHE 103 24.110 -1.925 5.611 843 HD2 PHE 103 HD1 PHE 103 24.849 1.187 8.418 844 HE1 PHE 103 HE2 PHE 103 21.696 -1.469 5.734 845 HE2 PHE 103 HE1 PHE 103 22.435 1.648 8.547 846 HZ PHE 103 HZ PHE 103 20.855 0.320 7.203 847 H HIS 104 H HIS 104 27.904 -2.956 5.633 848 HA HIS 104 HA HIS 104 25.869 -4.360 4.234 849 HB2 HIS 104 HB2 HIS 104 27.531 -3.863 2.759 850 HB3 HIS 104 HB3 HIS 104 28.797 -3.997 3.976 851 HD1 HIS 104 HD1 HIS 104 26.392 -6.548 2.472 852 HD2 HIS 104 HD2 HIS 104 30.440 -5.994 3.226 853 HE1 HIS 104 HE1 HIS 104 27.517 -8.657 1.690 854 H GLU 105 H GLU 105 28.366 -5.321 6.534 855 HA GLU 105 HA GLU 105 28.157 -8.086 6.305 856 HB2 GLU 105 HB2 GLU 105 29.278 -6.197 8.189 857 HB3 GLU 105 HB3 GLU 105 28.584 -7.578 9.026 858 HG2 GLU 105 HG2 GLU 105 29.927 -8.892 7.147 859 HG3 GLU 105 HG3 GLU 105 30.912 -7.432 7.208 860 H LYS 106 H LYS 106 26.363 -5.868 8.423 861 HA LYS 106 HA LYS 106 24.763 -7.910 9.595 862 HB2 LYS 106 HB2 LYS 106 23.856 -6.248 10.865 863 HB3 LYS 106 HB3 LYS 106 25.296 -5.398 10.321 864 HG2 LYS 106 HG2 LYS 106 23.870 -4.515 8.414 865 HG3 LYS 106 HG3 LYS 106 22.482 -5.125 9.317 866 HD2 LYS 106 HD2 LYS 106 24.511 -3.128 10.319 867 HD3 LYS 106 HD3 LYS 106 22.872 -2.757 9.782 868 HE2 LYS 106 HE2 LYS 106 22.498 -2.886 12.025 869 HE3 LYS 106 HE3 LYS 106 22.263 -4.582 11.604 870 HZ1 LYS 106 HZ1 LYS 106 24.059 -3.550 13.427 871 HZ2 LYS 106 HZ2 LYS 106 24.999 -4.054 12.115 872 HZ3 LYS 106 HZ3 LYS 106 23.963 -5.150 12.883 873 H LEU 107 H LEU 107 24.443 -5.844 6.788 874 HA LEU 107 HA LEU 107 21.696 -6.219 6.305 875 HB2 LEU 107 HB2 LEU 107 23.620 -4.706 5.188 876 HB3 LEU 107 HB3 LEU 107 23.491 -5.976 3.973 877 HG LEU 107 HG LEU 107 22.127 -4.025 3.408 878 HD11 LEU 107 HD11 LEU 107 21.466 -6.487 2.952 879 HD12 LEU 107 HD12 LEU 107 20.281 -5.211 2.683 880 HD13 LEU 107 HD13 LEU 107 20.203 -6.190 4.147 881 HD21 LEU 107 HD21 LEU 107 20.095 -4.512 5.450 882 HD22 LEU 107 HD22 LEU 107 20.738 -2.993 4.827 883 HD23 LEU 107 HD23 LEU 107 21.607 -3.867 6.089 884 H ARG 108 H ARG 108 24.526 -8.123 5.466 885 HA ARG 108 HA ARG 108 23.264 -9.868 3.638 886 HB2 ARG 108 HB2 ARG 108 25.843 -9.494 4.575 887 HB3 ARG 108 HB3 ARG 108 25.416 -11.087 5.186 888 HG2 ARG 108 HG2 ARG 108 24.694 -10.669 2.387 889 HG3 ARG 108 HG3 ARG 108 26.426 -10.558 2.709 890 HD2 ARG 108 HD2 ARG 108 26.253 -12.739 3.922 891 HD3 ARG 108 HD3 ARG 108 24.586 -12.854 3.359 892 HE ARG 108 HE ARG 108 25.986 -12.480 1.075 893 HH11 ARG 108 HH11 ARG 108 26.281 -14.719 3.725 894 HH12 ARG 108 HH12 ARG 108 26.944 -15.988 2.749 895 HH21 ARG 108 HH21 ARG 108 26.859 -14.143 -0.220 896 HH22 ARG 108 HH22 ARG 108 27.274 -15.659 0.506 897 H ASP 109 H ASP 109 23.701 -9.968 7.137 898 HA ASP 109 HA ASP 109 22.833 -12.576 7.616 899 HB2 ASP 109 HB2 ASP 109 23.828 -10.769 9.227 900 HB3 ASP 109 HB3 ASP 109 22.139 -10.352 9.504 901 H LEU 110 H LEU 110 20.967 -9.558 7.465 902 HA LEU 110 HA LEU 110 18.464 -10.625 8.093 903 HB2 LEU 110 HB2 LEU 110 18.811 -8.258 8.075 904 HB3 LEU 110 HB3 LEU 110 19.233 -8.282 6.364 905 HG LEU 110 HG LEU 110 16.881 -8.959 5.869 906 HD11 LEU 110 HD11 LEU 110 15.278 -9.184 7.456 907 HD12 LEU 110 HD12 LEU 110 16.035 -8.024 8.547 908 HD13 LEU 110 HD13 LEU 110 16.669 -9.665 8.428 909 HD21 LEU 110 HD21 LEU 110 16.096 -6.780 5.864 910 HD22 LEU 110 HD22 LEU 110 17.844 -6.558 5.951 911 HD23 LEU 110 HD23 LEU 110 16.860 -6.392 7.406 912 H LEU 111 H LEU 111 19.927 -10.055 4.896 913 HA LEU 111 HA LEU 111 17.823 -11.088 3.367 914 HB2 LEU 111 HB2 LEU 111 20.697 -10.538 2.935 915 HB3 LEU 111 HB3 LEU 111 19.922 -11.639 1.797 916 HG LEU 111 HG LEU 111 18.414 -9.954 1.065 917 HD11 LEU 111 HD11 LEU 111 17.797 -8.893 3.093 918 HD12 LEU 111 HD12 LEU 111 18.512 -7.652 2.064 919 HD13 LEU 111 HD13 LEU 111 19.448 -8.345 3.388 920 HD21 LEU 111 HD21 LEU 111 20.554 -8.059 1.088 921 HD22 LEU 111 HD22 LEU 111 19.982 -9.076 -0.235 922 HD23 LEU 111 HD23 LEU 111 21.211 -9.683 0.876 923 H ILE 112 H ILE 112 20.443 -12.666 5.054 924 HA ILE 112 HA ILE 112 20.174 -15.202 3.790 925 HB ILE 112 HB ILE 112 21.449 -14.353 6.383 926 HG12 ILE 112 HG12 ILE 112 22.853 -15.589 4.045 927 HG13 ILE 112 HG13 ILE 112 22.375 -13.897 3.961 928 HG21 ILE 112 HG21 ILE 112 22.432 -16.656 6.428 929 HG22 ILE 112 HG22 ILE 112 20.706 -16.581 6.782 930 HG23 ILE 112 HG23 ILE 112 21.258 -17.113 5.194 931 HD11 ILE 112 HD11 ILE 112 23.723 -14.538 6.445 932 HD12 ILE 112 HD12 ILE 112 24.710 -14.884 5.023 933 HD13 ILE 112 HD13 ILE 112 24.052 -13.266 5.269 934 H SER 113 H SER 113 18.607 -13.635 6.481 935 HA SER 113 HA SER 113 17.456 -16.002 7.593 936 HB2 SER 113 HB2 SER 113 17.604 -14.246 9.129 937 HB3 SER 113 HB3 SER 113 17.007 -13.055 7.974 938 HG SER 113 HG SER 113 15.144 -13.394 8.868 939 H MET 114 H MET 114 16.605 -13.818 5.041 940 HA MET 114 HA MET 114 13.906 -14.940 4.861 941 HB2 MET 114 HB2 MET 114 13.649 -13.176 3.045 942 HB3 MET 114 HB3 MET 114 13.855 -12.585 4.688 943 HG2 MET 114 HG2 MET 114 16.117 -11.995 4.281 944 HG3 MET 114 HG3 MET 114 16.120 -12.832 2.731 945 HE1 MET 114 HE1 MET 114 13.578 -9.296 3.841 946 HE2 MET 114 HE2 MET 114 14.541 -10.331 4.894 947 HE3 MET 114 HE3 MET 114 15.278 -8.925 4.126 948 H GLU 115 H GLU 115 16.904 -15.697 3.795 949 HA GLU 115 HA GLU 115 17.707 -17.078 2.174 950 HB2 GLU 115 HB2 GLU 115 14.852 -17.639 1.388 951 HB3 GLU 115 HB3 GLU 115 16.255 -18.680 1.190 952 HG2 GLU 115 HG2 GLU 115 16.404 -18.842 3.667 953 HG3 GLU 115 HG3 GLU 115 14.890 -17.944 3.767 954 H LEU 116 H LEU 116 17.303 -14.302 1.608 955 HA LEU 116 HA LEU 116 16.564 -14.305 -1.231 956 HB2 LEU 116 HB2 LEU 116 16.631 -12.258 0.908 957 HB3 LEU 116 HB3 LEU 116 17.005 -11.718 -0.727 958 HG LEU 116 HG LEU 116 14.640 -11.381 -0.093 959 HD11 LEU 116 HD11 LEU 116 15.484 -11.836 -2.460 960 HD12 LEU 116 HD12 LEU 116 13.757 -12.030 -2.159 961 HD13 LEU 116 HD13 LEU 116 14.800 -13.449 -2.261 962 HD21 LEU 116 HD21 LEU 116 14.572 -13.504 1.305 963 HD22 LEU 116 HD22 LEU 116 14.348 -14.370 -0.215 964 HD23 LEU 116 HD23 LEU 116 13.163 -13.168 0.299 965 H ALA 117 H ALA 117 18.178 -14.623 -2.604 966 HA ALA 117 HA ALA 117 20.901 -14.499 -1.977 967 HB1 ALA 117 HB1 ALA 117 19.291 -14.909 -4.381 968 HB2 ALA 117 HB2 ALA 117 20.865 -14.175 -4.691 969 HB3 ALA 117 HB3 ALA 117 20.763 -15.720 -3.847 970 H LEU 118 H LEU 118 22.524 -13.013 -2.515 971 HA LEU 118 HA LEU 118 21.602 -10.315 -3.243 972 HB2 LEU 118 HB2 LEU 118 21.937 -10.157 -0.927 973 HB3 LEU 118 HB3 LEU 118 23.394 -11.147 -0.985 974 HG LEU 118 HG LEU 118 23.475 -8.559 -2.425 975 HD11 LEU 118 HD11 LEU 118 22.514 -7.587 -0.585 976 HD12 LEU 118 HD12 LEU 118 24.211 -7.595 -0.104 977 HD13 LEU 118 HD13 LEU 118 23.112 -8.825 0.520 978 HD21 LEU 118 HD21 LEU 118 25.298 -10.461 -1.117 979 HD22 LEU 118 HD22 LEU 118 25.711 -8.758 -0.915 980 HD23 LEU 118 HD23 LEU 118 25.543 -9.440 -2.534 981 H GLU 119 H GLU 119 22.936 -9.140 -4.566 982 HA GLU 119 HA GLU 119 25.579 -10.169 -5.220 983 HB2 GLU 119 HB2 GLU 119 23.242 -10.213 -7.062 984 HB3 GLU 119 HB3 GLU 119 24.800 -9.759 -7.736 985 HG2 GLU 119 HG2 GLU 119 25.763 -11.854 -6.958 986 HG3 GLU 119 HG3 GLU 119 24.214 -12.310 -6.251 987 HA PRO 120 HA PRO 120 26.640 -5.941 -5.708 988 HB2 PRO 120 HB2 PRO 120 28.455 -6.023 -7.726 989 HB3 PRO 120 HB3 PRO 120 28.798 -6.626 -6.100 990 HG2 PRO 120 HG2 PRO 120 28.009 -8.144 -8.557 991 HG3 PRO 120 HG3 PRO 120 29.241 -8.539 -7.345 992 HD2 PRO 120 HD2 PRO 120 26.790 -9.690 -7.359 993 HD3 PRO 120 HD3 PRO 120 27.692 -9.382 -5.861 994 H SER 121 H SER 121 26.813 -4.133 -7.325 995 HA SER 121 HA SER 121 24.469 -4.118 -8.970 996 HB2 SER 121 HB2 SER 121 26.515 -2.138 -8.124 997 HB3 SER 121 HB3 SER 121 25.665 -1.801 -9.632 998 HG SER 121 HG SER 121 24.000 -1.248 -8.493 999 H ASP 122 H ASP 122 24.335 -3.885 -11.209 1000 HA ASP 122 HA ASP 122 26.271 -5.331 -12.702 1001 HB2 ASP 122 HB2 ASP 122 23.862 -3.708 -13.527 1002 HB3 ASP 122 HB3 ASP 122 24.867 -4.584 -14.678 1003 H ASP 123 H ASP 123 25.966 -2.042 -11.837 1004 HA ASP 123 HA ASP 123 27.832 -1.220 -13.955 1005 HB2 ASP 123 HB2 ASP 123 27.210 1.128 -13.036 1006 HB3 ASP 123 HB3 ASP 123 26.035 0.266 -14.025 1007 H PHE 124 H PHE 124 28.512 -2.730 -11.494 1008 HA PHE 124 HA PHE 124 30.327 -0.771 -10.249 1009 HB2 PHE 124 HB2 PHE 124 28.702 -2.971 -9.133 1010 HB3 PHE 124 HB3 PHE 124 30.342 -2.853 -8.503 1011 HD1 PHE 124 HD2 PHE 124 27.948 -0.197 -9.536 1012 HD2 PHE 124 HD1 PHE 124 30.167 -1.983 -6.374 1013 HE1 PHE 124 HE2 PHE 124 27.231 1.604 -8.021 1014 HE2 PHE 124 HE1 PHE 124 29.452 -0.186 -4.853 1015 HZ PHE 124 HZ PHE 124 27.983 1.612 -5.676 1016 H ASN 125 H ASN 125 32.482 -1.196 -10.168 1017 HA ASN 125 HA ASN 125 33.405 -3.484 -11.743 1018 HB2 ASN 125 HB2 ASN 125 34.106 -0.927 -12.011 1019 HB3 ASN 125 HB3 ASN 125 35.288 -1.381 -10.787 1020 HD21 ASN 125 HD21 ASN 125 37.084 -1.303 -12.027 1021 HD22 ASN 125 HD22 ASN 125 37.377 -2.346 -13.372 1022 H ASP 126 H ASP 126 35.800 -4.101 -10.941 1023 HA ASP 126 HA ASP 126 35.404 -5.113 -8.230 1024 HB2 ASP 126 HB2 ASP 126 37.410 -6.546 -8.803 1025 HB3 ASP 126 HB3 ASP 126 35.978 -6.819 -9.792 1026 H GLU 127 H GLU 127 35.802 -2.735 -7.614 1027 HA GLU 127 HA GLU 127 38.549 -2.556 -6.693 1028 HB2 GLU 127 HB2 GLU 127 37.278 -0.472 -8.466 1029 HB3 GLU 127 HB3 GLU 127 38.664 -0.132 -7.439 1030 HG2 GLU 127 HG2 GLU 127 38.593 -2.230 -9.595 1031 HG3 GLU 127 HG3 GLU 127 39.276 -0.615 -9.773 1032 HA PRO 128 HA PRO 128 35.240 -1.171 -3.705 1033 HB2 PRO 128 HB2 PRO 128 36.006 -2.829 -1.695 1034 HB3 PRO 128 HB3 PRO 128 34.862 -3.310 -2.954 1035 HG2 PRO 128 HG2 PRO 128 37.791 -3.891 -2.734 1036 HG3 PRO 128 HG3 PRO 128 36.468 -4.972 -3.209 1037 HD2 PRO 128 HD2 PRO 128 38.106 -3.793 -5.014 1038 HD3 PRO 128 HD3 PRO 128 36.402 -4.151 -5.362 1039 H VAL 129 H VAL 129 35.539 -0.009 -1.731 1040 HA VAL 129 HA VAL 129 37.875 1.549 -1.629 1041 HB VAL 129 HB VAL 129 35.873 1.169 0.600 1042 HG11 VAL 129 HG11 VAL 129 36.638 3.741 0.738 1043 HG12 VAL 129 HG12 VAL 129 37.431 2.442 1.631 1044 HG13 VAL 129 HG13 VAL 129 38.120 3.019 0.114 1045 HG21 VAL 129 HG21 VAL 129 34.716 3.119 -0.362 1046 HG22 VAL 129 HG22 VAL 129 35.817 3.075 -1.739 1047 HG23 VAL 129 HG23 VAL 129 34.709 1.733 -1.452 1048 H LYS 130 H LYS 130 39.823 0.992 -0.942 1049 HA LYS 130 HA LYS 130 40.326 -1.374 0.550 1050 HB2 LYS 130 HB2 LYS 130 42.043 0.945 -0.310 1051 HB3 LYS 130 HB3 LYS 130 42.682 -0.346 0.699 1052 HG2 LYS 130 HG2 LYS 130 42.035 -1.974 -1.049 1053 HG3 LYS 130 HG3 LYS 130 41.530 -0.624 -2.069 1054 HD2 LYS 130 HD2 LYS 130 44.308 -0.883 -0.933 1055 HD3 LYS 130 HD3 LYS 130 43.846 -1.531 -2.508 1056 HE2 LYS 130 HE2 LYS 130 43.449 0.595 -3.394 1057 HE3 LYS 130 HE3 LYS 130 43.345 1.340 -1.800 1058 HZ1 LYS 130 HZ1 LYS 130 45.452 1.923 -2.131 1059 HZ2 LYS 130 HZ2 LYS 130 45.642 0.877 -3.446 1060 HZ3 LYS 130 HZ3 LYS 130 45.858 0.302 -1.869 1061 H LEU 131 H LEU 131 39.396 -1.374 2.549 1062 HA LEU 131 HA LEU 131 39.512 0.865 4.320 1063 HB2 LEU 131 HB2 LEU 131 38.690 -2.003 4.635 1064 HB3 LEU 131 HB3 LEU 131 38.745 -0.902 6.010 1065 HG LEU 131 HG LEU 131 37.206 0.548 4.372 1066 HD11 LEU 131 HD11 LEU 131 36.014 -2.075 3.763 1067 HD12 LEU 131 HD12 LEU 131 37.449 -1.648 2.833 1068 HD13 LEU 131 HD13 LEU 131 36.040 -0.587 2.816 1069 HD21 LEU 131 HD21 LEU 131 36.219 -1.734 6.081 1070 HD22 LEU 131 HD22 LEU 131 35.291 -0.314 5.599 1071 HD23 LEU 131 HD23 LEU 131 36.684 -0.137 6.668 1072 H SER 132 H SER 132 41.502 -1.921 3.722 1073 HA SER 132 HA SER 132 43.008 -1.611 6.179 1074 HB2 SER 132 HB2 SER 132 42.518 -3.833 4.965 1075 HB3 SER 132 HB3 SER 132 43.800 -3.355 3.853 1076 HG SER 132 HG SER 132 44.168 -4.617 6.035 1077 H ALA 133 H ALA 133 43.318 0.742 5.304 1078 HA ALA 133 HA ALA 133 45.471 1.015 3.387 1079 HB1 ALA 133 HB1 ALA 133 43.421 2.696 4.408 1080 HB2 ALA 133 HB2 ALA 133 44.977 3.467 4.721 1081 HB3 ALA 133 HB3 ALA 133 44.538 3.002 3.077 Start of MODEL 12 1 H MET 1 H MET 1 2.016 0.658 1.266 2 HA MET 1 HA MET 1 0.377 -0.715 -0.677 3 HB2 MET 1 HB2 MET 1 2.307 1.453 -1.454 4 HB3 MET 1 HB3 MET 1 1.951 0.126 -2.551 5 HG2 MET 1 HG2 MET 1 0.457 1.716 -3.246 6 HG3 MET 1 HG3 MET 1 -0.522 0.778 -2.120 7 HE1 MET 1 HE1 MET 1 1.677 4.531 -1.776 8 HE2 MET 1 HE2 MET 1 1.060 3.738 -3.226 9 HE3 MET 1 HE3 MET 1 0.112 5.001 -2.440 10 H THR 2 H THR 2 1.542 -2.372 -1.828 11 HA THR 2 HA THR 2 3.879 -3.296 -0.316 12 HB THR 2 HB THR 2 3.412 -5.504 -1.439 13 HG1 THR 2 HG1 THR 2 1.883 -5.587 -2.895 14 HG21 THR 2 HG21 THR 2 2.413 -4.508 0.836 15 HG22 THR 2 HG22 THR 2 2.016 -6.123 0.248 16 HG23 THR 2 HG23 THR 2 0.905 -4.784 -0.033 17 H LEU 3 H LEU 3 5.625 -4.364 -1.492 18 HA LEU 3 HA LEU 3 6.613 -2.771 -3.600 19 HB2 LEU 3 HB2 LEU 3 7.607 -5.533 -2.994 20 HB3 LEU 3 HB3 LEU 3 8.514 -4.137 -3.572 21 HG LEU 3 HG LEU 3 7.433 -4.566 -0.789 22 HD11 LEU 3 HD11 LEU 3 9.347 -5.772 -0.734 23 HD12 LEU 3 HD12 LEU 3 10.056 -4.177 -0.485 24 HD13 LEU 3 HD13 LEU 3 10.066 -4.905 -2.091 25 HD21 LEU 3 HD21 LEU 3 8.629 -2.452 -0.269 26 HD22 LEU 3 HD22 LEU 3 7.231 -2.233 -1.323 27 HD23 LEU 3 HD23 LEU 3 8.860 -2.202 -2.000 28 HA PRO 4 HA PRO 4 4.972 -4.629 -7.224 29 HB2 PRO 4 HB2 PRO 4 7.031 -4.286 -8.960 30 HB3 PRO 4 HB3 PRO 4 6.011 -2.954 -8.405 31 HG2 PRO 4 HG2 PRO 4 8.724 -3.786 -7.452 32 HG3 PRO 4 HG3 PRO 4 8.101 -2.156 -7.769 33 HD2 PRO 4 HD2 PRO 4 8.276 -3.189 -5.272 34 HD3 PRO 4 HD3 PRO 4 7.002 -2.047 -5.746 35 H SER 5 H SER 5 7.998 -5.768 -5.925 36 HA SER 5 HA SER 5 8.305 -8.006 -7.659 37 HB2 SER 5 HB2 SER 5 9.658 -6.909 -5.313 38 HB3 SER 5 HB3 SER 5 9.625 -8.672 -5.315 39 HG SER 5 HG SER 5 10.441 -8.511 -7.519 40 H GLY 6 H GLY 6 6.263 -7.352 -5.008 41 HA2 GLY 6 HA2 GLY 6 4.388 -8.851 -4.653 42 HA3 GLY 6 HA3 GLY 6 5.483 -10.196 -4.932 43 H HIS 7 H HIS 7 7.280 -8.169 -3.171 44 HA HIS 7 HA HIS 7 6.722 -9.624 -0.714 45 HB2 HIS 7 HB2 HIS 7 9.037 -8.354 -1.910 46 HB3 HIS 7 HB3 HIS 7 8.826 -7.845 -0.238 47 HD1 HIS 7 HD1 HIS 7 8.251 -11.282 -1.755 48 HD2 HIS 7 HD2 HIS 7 10.606 -9.393 1.098 49 HE1 HIS 7 HE1 HIS 7 9.554 -13.119 -0.636 50 HA PRO 8 HA PRO 8 4.566 -6.385 1.322 51 HB2 PRO 8 HB2 PRO 8 5.286 -6.855 3.897 52 HB3 PRO 8 HB3 PRO 8 4.163 -7.892 3.009 53 HG2 PRO 8 HG2 PRO 8 7.084 -8.279 3.539 54 HG3 PRO 8 HG3 PRO 8 5.765 -9.461 3.623 55 HD2 PRO 8 HD2 PRO 8 7.442 -9.299 1.504 56 HD3 PRO 8 HD3 PRO 8 5.744 -9.788 1.342 57 H LYS 9 H LYS 9 5.049 -4.290 1.325 58 HA LYS 9 HA LYS 9 7.713 -3.321 1.571 59 HB2 LYS 9 HB2 LYS 9 5.927 -2.248 0.189 60 HB3 LYS 9 HB3 LYS 9 5.138 -1.741 1.677 61 HG2 LYS 9 HG2 LYS 9 7.332 -0.573 2.243 62 HG3 LYS 9 HG3 LYS 9 7.764 -0.833 0.551 63 HD2 LYS 9 HD2 LYS 9 6.764 1.169 0.262 64 HD3 LYS 9 HD3 LYS 9 5.286 0.204 0.269 65 HE2 LYS 9 HE2 LYS 9 6.307 1.054 2.907 66 HE3 LYS 9 HE3 LYS 9 5.687 2.334 1.864 67 HZ1 LYS 9 HZ1 LYS 9 3.665 1.751 2.505 68 HZ2 LYS 9 HZ2 LYS 9 4.250 0.418 3.366 69 HZ3 LYS 9 HZ3 LYS 9 3.860 0.262 1.727 70 H SER 10 H SER 10 4.855 -3.156 3.673 71 HA SER 10 HA SER 10 5.893 -1.600 5.715 72 HB2 SER 10 HB2 SER 10 3.799 -3.736 5.603 73 HB3 SER 10 HB3 SER 10 4.300 -3.113 7.175 74 HG SER 10 HG SER 10 2.955 -1.559 6.758 75 H ARG 11 H ARG 11 6.052 -5.127 5.325 76 HA ARG 11 HA ARG 11 7.429 -5.668 7.713 77 HB2 ARG 11 HB2 ARG 11 7.609 -7.232 5.134 78 HB3 ARG 11 HB3 ARG 11 7.925 -7.830 6.757 79 HG2 ARG 11 HG2 ARG 11 5.242 -6.788 5.895 80 HG3 ARG 11 HG3 ARG 11 5.716 -8.481 5.742 81 HD2 ARG 11 HD2 ARG 11 6.337 -8.205 8.277 82 HD3 ARG 11 HD3 ARG 11 5.198 -6.862 8.193 83 HE ARG 11 HE ARG 11 3.493 -8.377 8.113 84 HH11 ARG 11 HH11 ARG 11 6.461 -9.985 7.264 85 HH12 ARG 11 HH12 ARG 11 5.747 -11.563 7.221 86 HH21 ARG 11 HH21 ARG 11 2.540 -10.449 8.060 87 HH22 ARG 11 HH22 ARG 11 3.516 -11.826 7.673 88 H LEU 12 H LEU 12 8.636 -5.170 4.405 89 HA LEU 12 HA LEU 12 11.354 -5.530 4.947 90 HB2 LEU 12 HB2 LEU 12 9.758 -4.251 2.818 91 HB3 LEU 12 HB3 LEU 12 11.438 -3.734 2.945 92 HG LEU 12 HG LEU 12 11.235 -5.481 1.293 93 HD11 LEU 12 HD11 LEU 12 13.255 -6.103 1.957 94 HD12 LEU 12 HD12 LEU 12 12.514 -7.263 3.059 95 HD13 LEU 12 HD13 LEU 12 12.889 -5.633 3.617 96 HD21 LEU 12 HD21 LEU 12 10.660 -7.830 2.338 97 HD22 LEU 12 HD22 LEU 12 9.393 -6.764 1.731 98 HD23 LEU 12 HD23 LEU 12 9.722 -6.846 3.462 99 H ILE 13 H ILE 13 9.428 -2.540 4.882 100 HA ILE 13 HA ILE 13 11.472 -0.747 5.492 101 HB ILE 13 HB ILE 13 8.535 -0.621 6.169 102 HG12 ILE 13 HG12 ILE 13 9.165 -0.666 3.757 103 HG13 ILE 13 HG13 ILE 13 8.375 0.831 4.241 104 HG21 ILE 13 HG21 ILE 13 9.059 1.890 6.327 105 HG22 ILE 13 HG22 ILE 13 9.470 0.863 7.700 106 HG23 ILE 13 HG23 ILE 13 10.728 1.379 6.576 107 HD11 ILE 13 HD11 ILE 13 10.227 1.284 2.759 108 HD12 ILE 13 HD12 ILE 13 10.563 1.925 4.368 109 HD13 ILE 13 HD13 ILE 13 11.329 0.428 3.837 110 H LYS 14 H LYS 14 9.306 -2.536 7.661 111 HA LYS 14 HA LYS 14 10.345 -1.434 10.058 112 HB2 LYS 14 HB2 LYS 14 8.802 -3.972 9.513 113 HB3 LYS 14 HB3 LYS 14 9.219 -3.420 11.130 114 HG2 LYS 14 HG2 LYS 14 7.773 -1.568 9.302 115 HG3 LYS 14 HG3 LYS 14 6.886 -2.877 10.085 116 HD2 LYS 14 HD2 LYS 14 6.647 -1.386 11.757 117 HD3 LYS 14 HD3 LYS 14 8.286 -1.885 12.182 118 HE2 LYS 14 HE2 LYS 14 8.505 0.406 12.144 119 HE3 LYS 14 HE3 LYS 14 8.981 -0.013 10.499 120 HZ1 LYS 14 HZ1 LYS 14 7.264 1.099 9.665 121 HZ2 LYS 14 HZ2 LYS 14 7.053 1.777 11.201 122 HZ3 LYS 14 HZ3 LYS 14 6.162 0.411 10.750 123 H LYS 15 H LYS 15 11.140 -4.285 8.150 124 HA LYS 15 HA LYS 15 12.905 -5.463 10.026 125 HB2 LYS 15 HB2 LYS 15 12.472 -5.764 7.072 126 HB3 LYS 15 HB3 LYS 15 13.836 -6.556 7.849 127 HG2 LYS 15 HG2 LYS 15 12.200 -7.620 9.422 128 HG3 LYS 15 HG3 LYS 15 10.911 -6.976 8.402 129 HD2 LYS 15 HD2 LYS 15 11.179 -9.094 7.527 130 HD3 LYS 15 HD3 LYS 15 12.235 -8.143 6.480 131 HE2 LYS 15 HE2 LYS 15 13.940 -9.447 7.046 132 HE3 LYS 15 HE3 LYS 15 13.766 -8.926 8.722 133 HZ1 LYS 15 HZ1 LYS 15 12.384 -10.739 9.204 134 HZ2 LYS 15 HZ2 LYS 15 13.646 -11.393 8.288 135 HZ3 LYS 15 HZ3 LYS 15 12.138 -11.115 7.573 136 H PHE 16 H PHE 16 13.515 -3.468 7.138 137 HA PHE 16 HA PHE 16 16.293 -3.345 7.370 138 HB2 PHE 16 HB2 PHE 16 14.315 -1.404 6.173 139 HB3 PHE 16 HB3 PHE 16 16.058 -1.199 6.041 140 HD1 PHE 16 HD2 PHE 16 17.077 -3.812 5.487 141 HD2 PHE 16 HD1 PHE 16 13.472 -2.005 4.127 142 HE1 PHE 16 HE2 PHE 16 17.098 -5.270 3.506 143 HE2 PHE 16 HE1 PHE 16 13.486 -3.461 2.143 144 HZ PHE 16 HZ PHE 16 15.301 -5.095 1.830 145 H THR 17 H THR 17 13.798 -1.682 9.104 146 HA THR 17 HA THR 17 15.265 0.524 10.050 147 HB THR 17 HB THR 17 12.957 -0.928 11.359 148 HG1 THR 17 HG1 THR 17 11.985 1.186 10.453 149 HG21 THR 17 HG21 THR 17 12.625 1.305 12.496 150 HG22 THR 17 HG22 THR 17 14.248 1.730 11.952 151 HG23 THR 17 HG23 THR 17 14.014 0.368 13.048 152 H ALA 18 H ALA 18 15.367 -2.811 10.876 153 HA ALA 18 HA ALA 18 16.498 -2.443 13.499 154 HB1 ALA 18 HB1 ALA 18 16.567 -4.967 11.865 155 HB2 ALA 18 HB2 ALA 18 16.630 -4.798 13.620 156 HB3 ALA 18 HB3 ALA 18 15.136 -4.441 12.753 157 H LEU 19 H LEU 19 17.684 -2.092 10.402 158 HA LEU 19 HA LEU 19 20.418 -2.841 11.175 159 HB2 LEU 19 HB2 LEU 19 19.446 -2.099 8.427 160 HB3 LEU 19 HB3 LEU 19 20.967 -2.876 8.860 161 HG LEU 19 HG LEU 19 18.260 -4.162 9.195 162 HD11 LEU 19 HD11 LEU 19 19.933 -3.820 6.839 163 HD12 LEU 19 HD12 LEU 19 18.264 -4.372 6.976 164 HD13 LEU 19 HD13 LEU 19 19.591 -5.511 7.203 165 HD21 LEU 19 HD21 LEU 19 20.083 -6.152 9.016 166 HD22 LEU 19 HD22 LEU 19 19.510 -5.466 10.536 167 HD23 LEU 19 HD23 LEU 19 21.031 -4.912 9.835 168 H GLY 20 H GLY 20 18.527 -0.245 11.406 169 HA2 GLY 20 HA2 GLY 20 20.479 1.609 11.941 170 HA3 GLY 20 HA3 GLY 20 20.153 1.796 10.224 171 HA PRO 21 HA PRO 21 17.244 4.640 12.318 172 HB2 PRO 21 HB2 PRO 21 17.293 6.487 10.329 173 HB3 PRO 21 HB3 PRO 21 18.507 6.424 11.611 174 HG2 PRO 21 HG2 PRO 21 18.655 5.378 8.811 175 HG3 PRO 21 HG3 PRO 21 19.882 6.255 9.743 176 HD2 PRO 21 HD2 PRO 21 19.940 3.567 9.425 177 HD3 PRO 21 HD3 PRO 21 20.539 4.368 10.891 178 H TYR 22 H TYR 22 15.173 5.565 11.510 179 HA TYR 22 HA TYR 22 13.614 3.605 10.244 180 HB2 TYR 22 HB2 TYR 22 12.988 6.540 10.624 181 HB3 TYR 22 HB3 TYR 22 11.818 5.276 10.265 182 HD1 TYR 22 HD2 TYR 22 11.237 3.601 11.972 183 HD2 TYR 22 HD1 TYR 22 13.866 6.831 12.842 184 HE1 TYR 22 HE2 TYR 22 10.935 3.191 14.378 185 HE2 TYR 22 HE1 TYR 22 13.573 6.429 15.251 186 HH TYR 22 HH TYR 22 11.321 3.973 16.442 187 H ILE 23 H ILE 23 13.255 3.155 8.173 188 HA ILE 23 HA ILE 23 14.583 4.631 6.112 189 HB ILE 23 HB ILE 23 12.638 2.328 5.948 190 HG12 ILE 23 HG12 ILE 23 14.899 1.231 5.179 191 HG13 ILE 23 HG13 ILE 23 15.622 2.571 6.062 192 HG21 ILE 23 HG21 ILE 23 13.968 2.245 3.612 193 HG22 ILE 23 HG22 ILE 23 12.413 3.048 3.822 194 HG23 ILE 23 HG23 ILE 23 13.904 3.988 3.868 195 HD11 ILE 23 HD11 ILE 23 14.711 1.852 8.100 196 HD12 ILE 23 HD12 ILE 23 13.598 0.740 7.303 197 HD13 ILE 23 HD13 ILE 23 15.328 0.398 7.315 198 H ARG 24 H ARG 24 13.729 5.924 4.529 199 HA ARG 24 HA ARG 24 11.150 7.116 5.127 200 HB2 ARG 24 HB2 ARG 24 13.351 8.345 4.466 201 HB3 ARG 24 HB3 ARG 24 12.895 7.917 2.822 202 HG2 ARG 24 HG2 ARG 24 11.953 9.985 2.981 203 HG3 ARG 24 HG3 ARG 24 10.602 8.990 3.528 204 HD2 ARG 24 HD2 ARG 24 11.457 9.362 5.880 205 HD3 ARG 24 HD3 ARG 24 12.534 10.580 5.199 206 HE ARG 24 HE ARG 24 9.792 10.979 4.474 207 HH11 ARG 24 HH11 ARG 24 12.182 11.522 6.947 208 HH12 ARG 24 HH12 ARG 24 11.374 12.905 7.607 209 HH21 ARG 24 HH21 ARG 24 8.719 12.799 5.335 210 HH22 ARG 24 HH22 ARG 24 9.404 13.630 6.690 211 H GLU 25 H GLU 25 9.354 6.325 4.271 212 HA GLU 25 HA GLU 25 9.154 4.361 2.347 213 HB2 GLU 25 HB2 GLU 25 7.141 6.532 2.960 214 HB3 GLU 25 HB3 GLU 25 6.794 5.038 2.102 215 HG2 GLU 25 HG2 GLU 25 6.244 4.187 4.073 216 HG3 GLU 25 HG3 GLU 25 7.969 4.169 4.436 217 H GLY 26 H GLY 26 8.541 7.843 1.827 218 HA2 GLY 26 HA2 GLY 26 9.424 9.052 -0.031 219 HA3 GLY 26 HA3 GLY 26 9.581 7.534 -0.903 220 H GLN 27 H GLN 27 8.354 7.743 -2.666 221 HA GLN 27 HA GLN 27 5.507 8.307 -2.278 222 HB2 GLN 27 HB2 GLN 27 7.310 9.664 -4.281 223 HB3 GLN 27 HB3 GLN 27 5.557 9.658 -4.417 224 HG2 GLN 27 HG2 GLN 27 5.856 11.645 -3.361 225 HG3 GLN 27 HG3 GLN 27 5.699 10.586 -1.960 226 HE21 GLN 27 HE21 GLN 27 7.015 11.316 -0.451 227 HE22 GLN 27 HE22 GLN 27 8.669 11.760 -0.675 228 H CYS 28 H CYS 28 4.486 8.045 -4.693 229 HA CYS 28 HA CYS 28 4.696 5.278 -5.235 230 HB2 CYS 28 HB2 CYS 28 3.453 7.374 -7.022 231 HB3 CYS 28 HB3 CYS 28 3.075 5.657 -6.973 232 HG CYS 28 HG CYS 28 1.289 7.798 -5.672 233 H GLU 29 H GLU 29 4.673 4.917 -7.915 234 HA GLU 29 HA GLU 29 6.038 4.554 -9.698 235 HB2 GLU 29 HB2 GLU 29 7.152 7.263 -8.948 236 HB3 GLU 29 HB3 GLU 29 7.414 6.439 -10.478 237 HG2 GLU 29 HG2 GLU 29 4.873 6.458 -10.720 238 HG3 GLU 29 HG3 GLU 29 4.886 7.636 -9.409 239 H ASP 30 H ASP 30 7.198 2.810 -8.978 240 HA ASP 30 HA ASP 30 8.987 1.595 -8.270 241 HB2 ASP 30 HB2 ASP 30 10.645 4.066 -8.762 242 HB3 ASP 30 HB3 ASP 30 11.144 2.381 -8.885 243 H ASN 31 H ASN 31 8.179 1.541 -6.106 244 HA ASN 31 HA ASN 31 8.849 3.474 -4.154 245 HB2 ASN 31 HB2 ASN 31 8.052 0.568 -3.891 246 HB3 ASN 31 HB3 ASN 31 8.230 1.664 -2.524 247 HD21 ASN 31 HD21 ASN 31 6.593 2.976 -2.001 248 HD22 ASN 31 HD22 ASN 31 5.121 3.120 -2.894 249 H ARG 32 H ARG 32 10.983 3.965 -4.002 250 HA ARG 32 HA ARG 32 12.909 1.785 -3.659 251 HB2 ARG 32 HB2 ARG 32 13.460 4.742 -3.953 252 HB3 ARG 32 HB3 ARG 32 14.628 3.432 -4.059 253 HG2 ARG 32 HG2 ARG 32 13.218 2.602 -6.036 254 HG3 ARG 32 HG3 ARG 32 12.503 4.215 -6.015 255 HD2 ARG 32 HD2 ARG 32 15.475 3.902 -6.013 256 HD3 ARG 32 HD3 ARG 32 14.576 3.719 -7.519 257 HE ARG 32 HE ARG 32 13.929 6.119 -6.081 258 HH11 ARG 32 HH11 ARG 32 16.116 4.655 -8.360 259 HH12 ARG 32 HH12 ARG 32 16.573 6.160 -9.087 260 HH21 ARG 32 HH21 ARG 32 14.522 8.107 -7.030 261 HH22 ARG 32 HH22 ARG 32 15.667 8.123 -8.329 262 H PHE 33 H PHE 33 14.390 1.772 -1.907 263 HA PHE 33 HA PHE 33 13.260 2.926 0.531 264 HB2 PHE 33 HB2 PHE 33 15.348 0.775 0.132 265 HB3 PHE 33 HB3 PHE 33 14.779 1.337 1.700 266 HD1 PHE 33 HD1 PHE 33 11.908 1.567 1.308 267 HD2 PHE 33 HD2 PHE 33 14.620 -1.401 -0.090 268 HE1 PHE 33 HE1 PHE 33 10.071 -0.068 1.227 269 HE2 PHE 33 HE2 PHE 33 12.787 -3.041 -0.173 270 HZ PHE 33 HZ PHE 33 10.509 -2.376 0.487 271 H PHE 34 H PHE 34 14.346 4.318 1.846 272 HA PHE 34 HA PHE 34 16.946 5.293 0.858 273 HB2 PHE 34 HB2 PHE 34 14.861 6.829 0.741 274 HB3 PHE 34 HB3 PHE 34 15.054 6.970 2.485 275 HD1 PHE 34 HD2 PHE 34 17.223 7.869 3.392 276 HD2 PHE 34 HD1 PHE 34 16.181 8.084 -0.729 277 HE1 PHE 34 HE2 PHE 34 18.897 9.642 3.065 278 HE2 PHE 34 HE1 PHE 34 17.853 9.857 -1.063 279 HZ PHE 34 HZ PHE 34 19.215 10.638 0.835 280 H PHE 35 H PHE 35 18.590 5.615 2.301 281 HA PHE 35 HA PHE 35 18.054 5.041 5.131 282 HB2 PHE 35 HB2 PHE 35 20.210 3.789 3.423 283 HB3 PHE 35 HB3 PHE 35 20.193 3.716 5.182 284 HD1 PHE 35 HD2 PHE 35 18.112 2.891 2.211 285 HD2 PHE 35 HD1 PHE 35 19.105 1.978 6.249 286 HE1 PHE 35 HE2 PHE 35 16.681 0.892 2.108 287 HE2 PHE 35 HE1 PHE 35 17.676 -0.022 6.151 288 HZ PHE 35 HZ PHE 35 16.462 -0.568 4.079 289 H ASP 36 H ASP 36 19.148 6.286 6.554 290 HA ASP 36 HA ASP 36 20.990 8.279 5.421 291 HB2 ASP 36 HB2 ASP 36 20.456 9.568 7.533 292 HB3 ASP 36 HB3 ASP 36 19.113 9.361 6.412 293 H CYS 37 H CYS 37 23.058 7.807 5.733 294 HA CYS 37 HA CYS 37 23.855 6.218 8.049 295 HB2 CYS 37 HB2 CYS 37 24.631 5.757 5.644 296 HB3 CYS 37 HB3 CYS 37 25.671 7.162 5.840 297 HG CYS 37 HG CYS 37 25.829 4.207 7.542 298 H LEU 38 H LEU 38 24.574 7.160 9.831 299 HA LEU 38 HA LEU 38 25.649 9.893 9.645 300 HB2 LEU 38 HB2 LEU 38 24.413 8.468 11.997 301 HB3 LEU 38 HB3 LEU 38 25.050 10.112 12.018 302 HG LEU 38 HG LEU 38 22.621 9.112 10.538 303 HD11 LEU 38 HD11 LEU 38 22.599 9.649 13.060 304 HD12 LEU 38 HD12 LEU 38 21.356 10.358 12.030 305 HD13 LEU 38 HD13 LEU 38 22.735 11.330 12.545 306 HD21 LEU 38 HD21 LEU 38 24.353 11.371 9.996 307 HD22 LEU 38 HD22 LEU 38 22.701 11.876 10.355 308 HD23 LEU 38 HD23 LEU 38 23.009 10.725 9.053 309 H ALA 39 H ALA 39 27.745 10.159 9.999 310 HA ALA 39 HA ALA 39 29.153 8.227 11.715 311 HB1 ALA 39 HB1 ALA 39 30.737 9.334 9.505 312 HB2 ALA 39 HB2 ALA 39 30.687 7.698 10.162 313 HB3 ALA 39 HB3 ALA 39 29.451 8.229 9.021 314 H VAL 40 H VAL 40 29.319 11.413 10.147 315 HA VAL 40 HA VAL 40 30.229 12.615 12.609 316 HB VAL 40 HB VAL 40 32.177 13.734 11.286 317 HG11 VAL 40 HG11 VAL 40 32.306 12.197 13.280 318 HG12 VAL 40 HG12 VAL 40 32.543 10.871 12.140 319 HG13 VAL 40 HG13 VAL 40 33.713 12.189 12.218 320 HG21 VAL 40 HG21 VAL 40 31.342 12.371 9.201 321 HG22 VAL 40 HG22 VAL 40 33.063 12.654 9.464 322 HG23 VAL 40 HG23 VAL 40 32.348 11.102 9.899 323 H CYS 41 H CYS 41 30.253 14.947 12.518 324 HA CYS 41 HA CYS 41 28.253 15.955 10.678 325 HB2 CYS 41 HB2 CYS 41 28.315 17.984 12.066 326 HB3 CYS 41 HB3 CYS 41 28.090 16.541 13.047 327 HG CYS 41 HG CYS 41 29.776 17.666 14.694 328 H VAL 42 H VAL 42 28.595 17.289 8.999 329 HA VAL 42 HA VAL 42 31.201 17.597 7.942 330 HB VAL 42 HB VAL 42 28.754 19.165 7.129 331 HG11 VAL 42 HG11 VAL 42 30.317 20.113 5.817 332 HG12 VAL 42 HG12 VAL 42 31.457 18.784 6.037 333 HG13 VAL 42 HG13 VAL 42 30.145 18.637 4.867 334 HG21 VAL 42 HG21 VAL 42 27.832 17.167 6.705 335 HG22 VAL 42 HG22 VAL 42 28.954 17.103 5.347 336 HG23 VAL 42 HG23 VAL 42 29.368 16.316 6.870 337 H ASN 43 H ASN 43 28.946 19.925 9.411 338 HA ASN 43 HA ASN 43 31.059 21.438 10.570 339 HB2 ASN 43 HB2 ASN 43 29.987 22.272 7.945 340 HB3 ASN 43 HB3 ASN 43 30.083 23.544 9.159 341 HD21 ASN 43 HD21 ASN 43 31.590 23.148 6.677 342 HD22 ASN 43 HD22 ASN 43 33.255 23.136 7.137 343 H VAL 44 H VAL 44 30.302 22.463 12.319 344 HA VAL 44 HA VAL 44 27.404 22.552 12.702 345 HB VAL 44 HB VAL 44 27.926 22.966 15.078 346 HG11 VAL 44 HG11 VAL 44 29.372 20.587 13.917 347 HG12 VAL 44 HG12 VAL 44 28.808 20.749 15.581 348 HG13 VAL 44 HG13 VAL 44 27.644 20.678 14.257 349 HG21 VAL 44 HG21 VAL 44 30.812 22.525 14.345 350 HG22 VAL 44 HG22 VAL 44 30.110 24.123 14.596 351 HG23 VAL 44 HG23 VAL 44 30.148 22.959 15.920 352 H LYS 45 H LYS 45 28.914 24.497 11.036 353 HA LYS 45 HA LYS 45 29.108 26.967 12.405 354 HB2 LYS 45 HB2 LYS 45 29.296 26.019 9.643 355 HB3 LYS 45 HB3 LYS 45 28.609 27.633 9.773 356 HG2 LYS 45 HG2 LYS 45 30.537 28.527 10.673 357 HG3 LYS 45 HG3 LYS 45 31.123 26.961 11.237 358 HD2 LYS 45 HD2 LYS 45 32.484 27.253 9.424 359 HD3 LYS 45 HD3 LYS 45 31.129 26.431 8.646 360 HE2 LYS 45 HE2 LYS 45 31.270 29.424 8.823 361 HE3 LYS 45 HE3 LYS 45 32.065 28.538 7.524 362 HZ1 LYS 45 HZ1 LYS 45 29.188 28.808 8.090 363 HZ2 LYS 45 HZ2 LYS 45 29.754 27.465 7.232 364 HZ3 LYS 45 HZ3 LYS 45 30.014 29.024 6.629 365 HA PRO 46 HA PRO 46 24.765 27.936 10.521 366 HB2 PRO 46 HB2 PRO 46 23.400 25.868 9.414 367 HB3 PRO 46 HB3 PRO 46 24.506 26.892 8.491 368 HG2 PRO 46 HG2 PRO 46 24.976 24.184 9.676 369 HG3 PRO 46 HG3 PRO 46 25.451 24.807 8.085 370 HD2 PRO 46 HD2 PRO 46 27.181 24.645 10.162 371 HD3 PRO 46 HD3 PRO 46 27.286 25.917 8.928 372 H ALA 47 H ALA 47 22.410 27.203 11.042 373 HA ALA 47 HA ALA 47 22.170 26.762 13.757 374 HB1 ALA 47 HB1 ALA 47 20.438 27.336 11.703 375 HB2 ALA 47 HB2 ALA 47 19.879 25.760 12.264 376 HB3 ALA 47 HB3 ALA 47 19.995 27.108 13.395 377 HA PRO 48 HA PRO 48 22.559 22.459 14.522 378 HB2 PRO 48 HB2 PRO 48 20.620 22.021 16.371 379 HB3 PRO 48 HB3 PRO 48 22.106 22.909 16.729 380 HG2 PRO 48 HG2 PRO 48 19.377 23.961 16.091 381 HG3 PRO 48 HG3 PRO 48 20.525 24.506 17.328 382 HD2 PRO 48 HD2 PRO 48 20.213 25.790 14.965 383 HD3 PRO 48 HD3 PRO 48 21.768 25.725 15.818 384 H GLU 49 H GLU 49 19.327 23.620 13.733 385 HA GLU 49 HA GLU 49 18.209 21.053 13.215 386 HB2 GLU 49 HB2 GLU 49 16.389 22.336 12.108 387 HB3 GLU 49 HB3 GLU 49 16.746 22.894 13.737 388 HG2 GLU 49 HG2 GLU 49 17.660 24.871 13.010 389 HG3 GLU 49 HG3 GLU 49 18.063 24.225 11.420 390 H LYS 50 H LYS 50 20.130 23.274 11.386 391 HA LYS 50 HA LYS 50 19.593 21.835 8.892 392 HB2 LYS 50 HB2 LYS 50 20.983 24.438 9.503 393 HB3 LYS 50 HB3 LYS 50 21.081 23.675 7.921 394 HG2 LYS 50 HG2 LYS 50 18.765 23.927 7.547 395 HG3 LYS 50 HG3 LYS 50 18.464 24.345 9.235 396 HD2 LYS 50 HD2 LYS 50 19.938 26.370 8.854 397 HD3 LYS 50 HD3 LYS 50 19.860 25.988 7.133 398 HE2 LYS 50 HE2 LYS 50 17.422 26.165 7.205 399 HE3 LYS 50 HE3 LYS 50 17.495 26.531 8.928 400 HZ1 LYS 50 HZ1 LYS 50 19.151 28.374 7.897 401 HZ2 LYS 50 HZ2 LYS 50 17.514 28.641 8.226 402 HZ3 LYS 50 HZ3 LYS 50 18.006 28.241 6.658 403 H ARG 51 H ARG 51 21.294 20.993 11.317 404 HA ARG 51 HA ARG 51 23.993 20.943 10.642 405 HB2 ARG 51 HB2 ARG 51 24.239 19.196 12.236 406 HB3 ARG 51 HB3 ARG 51 22.951 20.236 12.829 407 HG2 ARG 51 HG2 ARG 51 21.312 18.625 11.838 408 HG3 ARG 51 HG3 ARG 51 22.673 17.551 11.506 409 HD2 ARG 51 HD2 ARG 51 23.224 17.761 13.986 410 HD3 ARG 51 HD3 ARG 51 21.621 18.471 14.166 411 HE ARG 51 HE ARG 51 22.249 15.705 13.756 412 HH11 ARG 51 HH11 ARG 51 19.832 18.169 13.301 413 HH12 ARG 51 HH12 ARG 51 18.510 17.050 13.262 414 HH21 ARG 51 HH21 ARG 51 20.517 14.221 13.705 415 HH22 ARG 51 HH22 ARG 51 18.901 14.804 13.492 416 H GLU 52 H GLU 52 25.284 19.566 9.471 417 HA GLU 52 HA GLU 52 23.874 17.646 7.735 418 HB2 GLU 52 HB2 GLU 52 26.425 19.079 7.012 419 HB3 GLU 52 HB3 GLU 52 25.360 18.167 5.952 420 HG2 GLU 52 HG2 GLU 52 23.593 19.919 6.498 421 HG3 GLU 52 HG3 GLU 52 24.920 20.873 7.160 422 H PHE 53 H PHE 53 24.589 15.600 7.692 423 HA PHE 53 HA PHE 53 27.090 15.002 9.131 424 HB2 PHE 53 HB2 PHE 53 24.403 13.758 9.217 425 HB3 PHE 53 HB3 PHE 53 25.769 12.648 9.239 426 HD1 PHE 53 HD1 PHE 53 25.450 16.027 10.754 427 HD2 PHE 53 HD2 PHE 53 25.844 11.839 11.409 428 HE1 PHE 53 HE1 PHE 53 25.736 16.434 13.163 429 HE2 PHE 53 HE2 PHE 53 26.129 12.240 13.819 430 HZ PHE 53 HZ PHE 53 26.077 14.540 14.699 431 H TRP 54 H TRP 54 28.233 13.055 8.420 432 HA TRP 54 HA TRP 54 28.203 12.876 5.507 433 HB2 TRP 54 HB2 TRP 54 30.198 12.037 7.607 434 HB3 TRP 54 HB3 TRP 54 30.361 11.570 5.916 435 HD1 TRP 54 HD1 TRP 54 31.680 14.037 8.146 436 HE1 TRP 54 HE1 TRP 54 32.453 16.160 6.913 437 HE3 TRP 54 HE3 TRP 54 29.311 13.287 3.678 438 HZ2 TRP 54 HZ2 TRP 54 32.103 17.358 4.381 439 HZ3 TRP 54 HZ3 TRP 54 29.581 14.970 1.903 440 HH2 TRP 54 HH2 TRP 54 30.948 16.962 2.249 441 H GLY 55 H GLY 55 28.143 10.893 4.384 442 HA2 GLY 55 HA2 GLY 55 27.932 8.356 5.533 443 HA3 GLY 55 HA3 GLY 55 26.304 9.005 5.401 444 H TRP 56 H TRP 56 25.593 7.560 3.865 445 HA TRP 56 HA TRP 56 26.205 8.205 1.157 446 HB2 TRP 56 HB2 TRP 56 26.937 5.866 0.534 447 HB3 TRP 56 HB3 TRP 56 28.122 6.814 1.428 448 HD1 TRP 56 HD1 TRP 56 28.625 6.074 3.967 449 HE1 TRP 56 HE1 TRP 56 28.279 3.833 5.186 450 HE3 TRP 56 HE3 TRP 56 25.406 3.849 0.678 451 HZ2 TRP 56 HZ2 TRP 56 26.834 1.439 4.803 452 HZ3 TRP 56 HZ3 TRP 56 24.589 1.582 1.178 453 HH2 TRP 56 HH2 TRP 56 25.290 0.404 3.198 454 H TRP 57 H TRP 57 24.301 8.104 0.184 455 HA TRP 57 HA TRP 57 22.104 6.664 1.320 456 HB2 TRP 57 HB2 TRP 57 20.867 7.508 -0.693 457 HB3 TRP 57 HB3 TRP 57 21.649 8.769 0.255 458 HD1 TRP 57 HD1 TRP 57 22.652 6.610 -2.827 459 HE1 TRP 57 HE1 TRP 57 23.840 8.154 -4.509 460 HE3 TRP 57 HE3 TRP 57 22.484 10.979 -0.177 461 HZ2 TRP 57 HZ2 TRP 57 24.606 10.865 -4.688 462 HZ3 TRP 57 HZ3 TRP 57 23.468 13.002 -1.175 463 HH2 TRP 57 HH2 TRP 57 24.506 12.944 -3.384 464 H MET 58 H MET 58 20.904 4.974 0.353 465 HA MET 58 HA MET 58 22.119 3.560 -1.888 466 HB2 MET 58 HB2 MET 58 23.240 2.508 -0.058 467 HB3 MET 58 HB3 MET 58 21.746 2.372 0.860 468 HG2 MET 58 HG2 MET 58 20.889 0.747 -0.711 469 HG3 MET 58 HG3 MET 58 22.324 0.930 -1.717 470 HE1 MET 58 HE1 MET 58 20.741 -0.172 1.468 471 HE2 MET 58 HE2 MET 58 20.878 -1.718 0.630 472 HE3 MET 58 HE3 MET 58 21.790 -1.435 2.113 473 H GLU 59 H GLU 59 20.527 3.190 -3.273 474 HA GLU 59 HA GLU 59 17.821 2.715 -2.217 475 HB2 GLU 59 HB2 GLU 59 17.111 3.371 -4.578 476 HB3 GLU 59 HB3 GLU 59 17.739 4.653 -3.552 477 HG2 GLU 59 HG2 GLU 59 19.905 4.488 -4.658 478 HG3 GLU 59 HG3 GLU 59 19.289 3.190 -5.678 479 H LEU 60 H LEU 60 17.258 0.648 -2.235 480 HA LEU 60 HA LEU 60 18.184 -1.042 -4.464 481 HB2 LEU 60 HB2 LEU 60 17.880 -2.949 -2.846 482 HB3 LEU 60 HB3 LEU 60 19.227 -1.860 -2.523 483 HG LEU 60 HG LEU 60 16.683 -1.300 -1.111 484 HD11 LEU 60 HD11 LEU 60 17.135 -3.845 -1.104 485 HD12 LEU 60 HD12 LEU 60 16.824 -3.026 0.426 486 HD13 LEU 60 HD13 LEU 60 18.476 -3.438 -0.033 487 HD21 LEU 60 HD21 LEU 60 18.814 -1.313 0.648 488 HD22 LEU 60 HD22 LEU 60 18.142 0.098 -0.170 489 HD23 LEU 60 HD23 LEU 60 19.523 -0.750 -0.866 490 H GLU 61 H GLU 61 16.729 -2.798 -5.077 491 HA GLU 61 HA GLU 61 13.917 -2.336 -4.384 492 HB2 GLU 61 HB2 GLU 61 14.751 -1.261 -6.630 493 HB3 GLU 61 HB3 GLU 61 14.641 -2.909 -7.231 494 HG2 GLU 61 HG2 GLU 61 12.240 -2.707 -6.068 495 HG3 GLU 61 HG3 GLU 61 12.510 -1.015 -6.483 496 H ALA 62 H ALA 62 13.096 -4.173 -3.657 497 HA ALA 62 HA ALA 62 14.307 -6.650 -3.687 498 HB1 ALA 62 HB1 ALA 62 11.367 -6.725 -3.734 499 HB2 ALA 62 HB2 ALA 62 12.503 -7.358 -2.542 500 HB3 ALA 62 HB3 ALA 62 12.079 -5.647 -2.533 501 H GLN 63 H GLN 63 14.028 -8.545 -4.891 502 HA GLN 63 HA GLN 63 13.006 -8.104 -7.617 503 HB2 GLN 63 HB2 GLN 63 15.486 -9.153 -6.655 504 HB3 GLN 63 HB3 GLN 63 14.635 -10.427 -7.519 505 HG2 GLN 63 HG2 GLN 63 14.718 -7.786 -8.830 506 HG3 GLN 63 HG3 GLN 63 16.247 -8.654 -8.705 507 HE21 GLN 63 HE21 GLN 63 12.924 -8.911 -9.834 508 HE22 GLN 63 HE22 GLN 63 13.243 -10.061 -11.083 509 H GLU 64 H GLU 64 12.675 -10.511 -8.626 510 HA GLU 64 HA GLU 64 10.252 -11.420 -7.666 511 HB2 GLU 64 HB2 GLU 64 12.319 -12.510 -9.494 512 HB3 GLU 64 HB3 GLU 64 11.133 -13.652 -8.877 513 HG2 GLU 64 HG2 GLU 64 9.372 -11.983 -9.658 514 HG3 GLU 64 HG3 GLU 64 10.678 -11.214 -10.557 515 H LYS 65 H LYS 65 13.460 -12.872 -7.129 516 HA LYS 65 HA LYS 65 12.544 -13.879 -4.554 517 HB2 LYS 65 HB2 LYS 65 13.705 -16.123 -5.194 518 HB3 LYS 65 HB3 LYS 65 12.048 -15.828 -5.706 519 HG2 LYS 65 HG2 LYS 65 13.291 -16.791 -7.521 520 HG3 LYS 65 HG3 LYS 65 12.888 -15.117 -7.912 521 HD2 LYS 65 HD2 LYS 65 15.081 -14.390 -7.603 522 HD3 LYS 65 HD3 LYS 65 15.516 -15.808 -6.645 523 HE2 LYS 65 HE2 LYS 65 14.767 -15.985 -9.552 524 HE3 LYS 65 HE3 LYS 65 16.423 -15.700 -9.017 525 HZ1 LYS 65 HZ1 LYS 65 16.509 -17.781 -7.975 526 HZ2 LYS 65 HZ2 LYS 65 15.769 -18.082 -9.466 527 HZ3 LYS 65 HZ3 LYS 65 14.835 -18.005 -8.058 528 H ARG 66 H ARG 66 14.420 -11.834 -5.447 529 HA ARG 66 HA ARG 66 16.677 -12.660 -3.841 530 HB2 ARG 66 HB2 ARG 66 16.840 -12.357 -6.788 531 HB3 ARG 66 HB3 ARG 66 18.142 -11.638 -5.850 532 HG2 ARG 66 HG2 ARG 66 18.521 -13.827 -4.768 533 HG3 ARG 66 HG3 ARG 66 17.285 -14.523 -5.818 534 HD2 ARG 66 HD2 ARG 66 18.662 -13.648 -7.764 535 HD3 ARG 66 HD3 ARG 66 19.943 -13.349 -6.591 536 HE ARG 66 HE ARG 66 19.214 -15.966 -6.212 537 HH11 ARG 66 HH11 ARG 66 20.386 -14.056 -8.876 538 HH12 ARG 66 HH12 ARG 66 21.198 -15.382 -9.640 539 HH21 ARG 66 HH21 ARG 66 20.279 -17.720 -7.208 540 HH22 ARG 66 HH22 ARG 66 21.136 -17.466 -8.691 541 H PHE 67 H PHE 67 18.364 -10.742 -3.884 542 HA PHE 67 HA PHE 67 16.923 -8.184 -3.977 543 HB2 PHE 67 HB2 PHE 67 17.912 -9.551 -1.620 544 HB3 PHE 67 HB3 PHE 67 18.672 -7.974 -1.804 545 HD1 PHE 67 HD1 PHE 67 15.424 -9.706 -1.518 546 HD2 PHE 67 HD2 PHE 67 17.491 -5.989 -1.352 547 HE1 PHE 67 HE1 PHE 67 13.417 -8.635 -0.580 548 HE2 PHE 67 HE2 PHE 67 15.488 -4.912 -0.413 549 HZ PHE 67 HZ PHE 67 13.447 -6.235 -0.026 550 H THR 68 H THR 68 18.227 -6.339 -4.286 551 HA THR 68 HA THR 68 21.057 -6.796 -4.880 552 HB THR 68 HB THR 68 19.968 -7.054 -7.037 553 HG1 THR 68 HG1 THR 68 21.759 -6.028 -7.554 554 HG21 THR 68 HG21 THR 68 18.753 -4.353 -6.450 555 HG22 THR 68 HG22 THR 68 17.898 -5.882 -6.658 556 HG23 THR 68 HG23 THR 68 18.722 -5.139 -8.028 557 H TYR 69 H TYR 69 22.313 -4.828 -5.011 558 HA TYR 69 HA TYR 69 21.073 -2.352 -4.170 559 HB2 TYR 69 HB2 TYR 69 22.260 -2.094 -2.120 560 HB3 TYR 69 HB3 TYR 69 21.496 -3.679 -2.060 561 HD1 TYR 69 HD1 TYR 69 23.092 -5.603 -3.123 562 HD2 TYR 69 HD2 TYR 69 24.412 -1.983 -1.319 563 HE1 TYR 69 HE1 TYR 69 25.272 -6.640 -2.652 564 HE2 TYR 69 HE2 TYR 69 26.596 -3.009 -0.845 565 HH TYR 69 HH TYR 69 27.647 -5.835 -2.263 566 H ARG 70 H ARG 70 22.747 -0.589 -3.958 567 HA ARG 70 HA ARG 70 25.092 -1.108 -5.654 568 HB2 ARG 70 HB2 ARG 70 23.066 0.035 -6.814 569 HB3 ARG 70 HB3 ARG 70 23.545 1.454 -5.892 570 HG2 ARG 70 HG2 ARG 70 25.466 1.758 -7.088 571 HG3 ARG 70 HG3 ARG 70 25.617 0.046 -7.489 572 HD2 ARG 70 HD2 ARG 70 23.795 0.226 -9.075 573 HD3 ARG 70 HD3 ARG 70 23.537 1.911 -8.624 574 HE ARG 70 HE ARG 70 26.193 1.570 -9.486 575 HH11 ARG 70 HH11 ARG 70 22.939 1.608 -10.724 576 HH12 ARG 70 HH12 ARG 70 23.407 2.150 -12.302 577 HH21 ARG 70 HH21 ARG 70 26.821 2.284 -11.560 578 HH22 ARG 70 HH22 ARG 70 25.615 2.533 -12.777 579 H TYR 71 H TYR 71 26.782 0.545 -5.453 580 HA TYR 71 HA TYR 71 26.858 1.613 -2.715 581 HB2 TYR 71 HB2 TYR 71 28.947 0.557 -4.573 582 HB3 TYR 71 HB3 TYR 71 29.412 1.762 -3.377 583 HD1 TYR 71 HD1 TYR 71 28.035 1.105 -0.987 584 HD2 TYR 71 HD2 TYR 71 29.619 -1.545 -3.915 585 HE1 TYR 71 HE1 TYR 71 28.224 -0.657 0.719 586 HE2 TYR 71 HE2 TYR 71 29.811 -3.314 -2.217 587 HH TYR 71 HH TYR 71 29.053 -3.940 -0.115 588 H GLN 72 H GLN 72 26.221 3.676 -2.709 589 HA GLN 72 HA GLN 72 27.562 5.525 -4.553 590 HB2 GLN 72 HB2 GLN 72 24.623 5.252 -4.041 591 HB3 GLN 72 HB3 GLN 72 25.296 6.824 -4.452 592 HG2 GLN 72 HG2 GLN 72 25.783 4.396 -6.143 593 HG3 GLN 72 HG3 GLN 72 24.358 5.414 -6.346 594 HE21 GLN 72 HE21 GLN 72 24.728 7.689 -6.805 595 HE22 GLN 72 HE22 GLN 72 26.121 8.145 -7.719 596 H PHE 73 H PHE 73 28.527 7.145 -3.527 597 HA PHE 73 HA PHE 73 27.982 7.539 -0.692 598 HB2 PHE 73 HB2 PHE 73 30.213 8.320 -2.538 599 HB3 PHE 73 HB3 PHE 73 30.012 9.160 -1.004 600 HD1 PHE 73 HD2 PHE 73 30.368 5.756 -2.450 601 HD2 PHE 73 HD1 PHE 73 30.923 8.277 0.933 602 HE1 PHE 73 HE2 PHE 73 31.584 3.948 -1.307 603 HE2 PHE 73 HE1 PHE 73 32.141 6.474 2.082 604 HZ PHE 73 HZ PHE 73 32.472 4.306 0.962 605 H GLY 74 H GLY 74 27.979 9.812 0.147 606 HA2 GLY 74 HA2 GLY 74 27.403 12.048 -1.416 607 HA3 GLY 74 HA3 GLY 74 25.871 11.270 -1.049 608 H LEU 75 H LEU 75 25.046 12.828 0.285 609 HA LEU 75 HA LEU 75 26.248 12.973 2.937 610 HB2 LEU 75 HB2 LEU 75 27.189 14.910 1.969 611 HB3 LEU 75 HB3 LEU 75 25.674 15.341 1.180 612 HG LEU 75 HG LEU 75 25.609 15.267 4.129 613 HD11 LEU 75 HD11 LEU 75 27.116 17.415 2.646 614 HD12 LEU 75 HD12 LEU 75 27.816 16.237 3.756 615 HD13 LEU 75 HD13 LEU 75 26.679 17.445 4.355 616 HD21 LEU 75 HD21 LEU 75 23.670 16.170 3.450 617 HD22 LEU 75 HD22 LEU 75 24.321 16.642 1.880 618 HD23 LEU 75 HD23 LEU 75 24.612 17.653 3.297 619 H PHE 76 H PHE 76 24.783 13.346 4.591 620 HA PHE 76 HA PHE 76 21.961 13.169 3.789 621 HB2 PHE 76 HB2 PHE 76 22.625 11.278 5.108 622 HB3 PHE 76 HB3 PHE 76 23.379 12.315 6.315 623 HD1 PHE 76 HD1 PHE 76 20.054 11.760 4.718 624 HD2 PHE 76 HD2 PHE 76 22.219 12.743 8.248 625 HE1 PHE 76 HE1 PHE 76 17.951 11.792 5.994 626 HE2 PHE 76 HE2 PHE 76 20.120 12.777 9.530 627 HZ PHE 76 HZ PHE 76 17.982 12.300 8.404 628 H ASP 77 H ASP 77 21.101 15.152 3.730 629 HA ASP 77 HA ASP 77 21.901 17.184 5.640 630 HB2 ASP 77 HB2 ASP 77 20.570 17.124 3.045 631 HB3 ASP 77 HB3 ASP 77 19.777 18.211 4.182 632 H LYS 78 H LYS 78 19.893 18.598 6.397 633 HA LYS 78 HA LYS 78 18.593 17.146 8.391 634 HB2 LYS 78 HB2 LYS 78 17.457 19.134 8.932 635 HB3 LYS 78 HB3 LYS 78 18.985 19.668 8.245 636 HG2 LYS 78 HG2 LYS 78 16.451 19.468 6.641 637 HG3 LYS 78 HG3 LYS 78 16.939 20.928 7.504 638 HD2 LYS 78 HD2 LYS 78 18.537 19.527 5.360 639 HD3 LYS 78 HD3 LYS 78 17.603 21.010 5.147 640 HE2 LYS 78 HE2 LYS 78 19.036 22.012 6.977 641 HE3 LYS 78 HE3 LYS 78 20.064 20.587 6.829 642 HZ1 LYS 78 HZ1 LYS 78 19.622 21.623 4.268 643 HZ2 LYS 78 HZ2 LYS 78 21.076 21.541 5.127 644 HZ3 LYS 78 HZ3 LYS 78 20.089 22.907 5.267 645 H GLU 79 H GLU 79 17.675 17.818 5.095 646 HA GLU 79 HA GLU 79 15.056 16.564 5.548 647 HB2 GLU 79 HB2 GLU 79 16.101 18.433 3.446 648 HB3 GLU 79 HB3 GLU 79 14.694 17.430 3.119 649 HG2 GLU 79 HG2 GLU 79 14.774 19.108 5.583 650 HG3 GLU 79 HG3 GLU 79 14.398 19.845 4.026 651 H GLY 80 H GLY 80 18.140 15.884 4.434 652 HA2 GLY 80 HA2 GLY 80 18.997 13.954 3.509 653 HA3 GLY 80 HA3 GLY 80 17.371 13.289 3.513 654 H ASN 81 H ASN 81 17.765 16.321 1.962 655 HA ASN 81 HA ASN 81 16.974 15.234 -0.557 656 HB2 ASN 81 HB2 ASN 81 17.540 17.948 0.527 657 HB3 ASN 81 HB3 ASN 81 17.620 17.741 -1.220 658 HD21 ASN 81 HD21 ASN 81 15.518 16.506 1.362 659 HD22 ASN 81 HD22 ASN 81 14.035 16.965 0.604 660 H TRP 82 H TRP 82 18.141 14.952 -2.413 661 HA TRP 82 HA TRP 82 20.791 14.188 -2.278 662 HB2 TRP 82 HB2 TRP 82 20.773 14.516 -4.806 663 HB3 TRP 82 HB3 TRP 82 19.529 13.460 -4.144 664 HD1 TRP 82 HD1 TRP 82 19.981 16.886 -5.790 665 HE1 TRP 82 HE1 TRP 82 17.684 17.719 -6.598 666 HE3 TRP 82 HE3 TRP 82 17.028 13.272 -3.703 667 HZ2 TRP 82 HZ2 TRP 82 14.978 16.946 -6.379 668 HZ3 TRP 82 HZ3 TRP 82 14.595 13.392 -4.050 669 HH2 TRP 82 HH2 TRP 82 13.593 15.192 -5.360 670 H THR 83 H THR 83 22.623 15.269 -2.027 671 HA THR 83 HA THR 83 22.919 17.930 -3.190 672 HB THR 83 HB THR 83 23.708 17.476 -0.317 673 HG1 THR 83 HG1 THR 83 21.528 17.410 -0.176 674 HG21 THR 83 HG21 THR 83 24.879 19.280 -1.410 675 HG22 THR 83 HG22 THR 83 23.697 19.963 -0.294 676 HG23 THR 83 HG23 THR 83 23.365 19.941 -2.026 677 H VAL 84 H VAL 84 24.588 17.544 -4.514 678 HA VAL 84 HA VAL 84 26.638 15.657 -4.020 679 HB VAL 84 HB VAL 84 27.824 16.816 -5.918 680 HG11 VAL 84 HG11 VAL 84 25.064 16.327 -6.869 681 HG12 VAL 84 HG12 VAL 84 26.596 15.661 -7.437 682 HG13 VAL 84 HG13 VAL 84 25.845 15.025 -5.973 683 HG21 VAL 84 HG21 VAL 84 27.226 18.855 -6.563 684 HG22 VAL 84 HG22 VAL 84 25.572 18.316 -6.850 685 HG23 VAL 84 HG23 VAL 84 26.045 18.896 -5.253 686 H VAL 85 H VAL 85 28.158 15.828 -2.519 687 HA VAL 85 HA VAL 85 29.669 18.306 -2.280 688 HB VAL 85 HB VAL 85 27.953 18.605 -0.589 689 HG11 VAL 85 HG11 VAL 85 28.597 16.597 1.302 690 HG12 VAL 85 HG12 VAL 85 27.063 16.871 0.473 691 HG13 VAL 85 HG13 VAL 85 28.273 15.800 -0.237 692 HG21 VAL 85 HG21 VAL 85 30.667 17.896 0.511 693 HG22 VAL 85 HG22 VAL 85 30.105 19.480 -0.023 694 HG23 VAL 85 HG23 VAL 85 29.424 18.747 1.429 695 HA PRO 86 HA PRO 86 32.926 15.322 -2.054 696 HB2 PRO 86 HB2 PRO 86 34.925 17.035 -1.393 697 HB3 PRO 86 HB3 PRO 86 34.247 16.934 -3.022 698 HG2 PRO 86 HG2 PRO 86 33.663 18.906 -0.847 699 HG3 PRO 86 HG3 PRO 86 33.904 19.191 -2.580 700 HD2 PRO 86 HD2 PRO 86 31.446 19.096 -1.447 701 HD3 PRO 86 HD3 PRO 86 31.752 18.559 -3.112 702 H ILE 87 H ILE 87 34.091 14.194 -0.514 703 HA ILE 87 HA ILE 87 33.271 14.617 2.228 704 HB ILE 87 HB ILE 87 35.087 12.488 1.094 705 HG12 ILE 87 HG12 ILE 87 32.809 12.463 0.111 706 HG13 ILE 87 HG13 ILE 87 33.136 11.039 1.092 707 HG21 ILE 87 HG21 ILE 87 33.781 12.865 3.770 708 HG22 ILE 87 HG22 ILE 87 34.313 11.283 3.203 709 HG23 ILE 87 HG23 ILE 87 35.483 12.587 3.404 710 HD11 ILE 87 HD11 ILE 87 31.979 12.985 2.780 711 HD12 ILE 87 HD12 ILE 87 31.010 12.898 1.309 712 HD13 ILE 87 HD13 ILE 87 31.307 11.441 2.256 713 H ASN 88 H ASN 88 34.655 14.942 3.988 714 HA ASN 88 HA ASN 88 36.733 16.770 3.620 715 HB2 ASN 88 HB2 ASN 88 35.377 15.591 5.811 716 HB3 ASN 88 HB3 ASN 88 37.101 15.366 6.095 717 HD21 ASN 88 HD21 ASN 88 34.856 17.874 4.971 718 HD22 ASN 88 HD22 ASN 88 35.600 19.168 5.842 719 H GLU 89 H GLU 89 38.912 16.131 5.019 720 HA GLU 89 HA GLU 89 40.555 14.787 3.269 721 HB2 GLU 89 HB2 GLU 89 40.758 15.457 6.172 722 HB3 GLU 89 HB3 GLU 89 41.967 14.391 5.470 723 HG2 GLU 89 HG2 GLU 89 42.808 16.616 5.413 724 HG3 GLU 89 HG3 GLU 89 42.429 16.130 3.762 725 H THR 90 H THR 90 41.833 12.758 3.762 726 HA THR 90 HA THR 90 40.213 10.523 3.636 727 HB THR 90 HB THR 90 42.435 10.281 2.864 728 HG1 THR 90 HG1 THR 90 42.668 8.324 3.656 729 HG21 THR 90 HG21 THR 90 44.281 10.292 4.778 730 HG22 THR 90 HG22 THR 90 43.148 11.429 5.511 731 HG23 THR 90 HG23 THR 90 43.822 11.760 3.916 732 H GLU 91 H GLU 91 41.410 12.218 6.425 733 HA GLU 91 HA GLU 91 41.230 10.286 8.399 734 HB2 GLU 91 HB2 GLU 91 40.772 12.170 9.959 735 HB3 GLU 91 HB3 GLU 91 42.136 12.461 8.890 736 HG2 GLU 91 HG2 GLU 91 40.528 13.734 7.409 737 HG3 GLU 91 HG3 GLU 91 39.384 13.645 8.746 738 H VAL 92 H VAL 92 38.674 12.302 7.016 739 HA VAL 92 HA VAL 92 36.643 11.215 8.742 740 HB VAL 92 HB VAL 92 36.382 12.908 6.254 741 HG11 VAL 92 HG11 VAL 92 34.401 11.711 8.095 742 HG12 VAL 92 HG12 VAL 92 34.124 13.383 7.603 743 HG13 VAL 92 HG13 VAL 92 34.263 12.115 6.385 744 HG21 VAL 92 HG21 VAL 92 36.689 13.535 9.156 745 HG22 VAL 92 HG22 VAL 92 37.439 14.302 7.756 746 HG23 VAL 92 HG23 VAL 92 35.743 14.613 8.128 747 H VAL 93 H VAL 93 37.447 10.935 5.288 748 HA VAL 93 HA VAL 93 35.431 9.244 4.467 749 HB VAL 93 HB VAL 93 37.642 10.265 3.264 750 HG11 VAL 93 HG11 VAL 93 38.075 7.282 3.314 751 HG12 VAL 93 HG12 VAL 93 39.049 8.488 2.471 752 HG13 VAL 93 HG13 VAL 93 39.029 8.444 4.235 753 HG21 VAL 93 HG21 VAL 93 36.131 7.936 2.109 754 HG22 VAL 93 HG22 VAL 93 35.407 9.531 2.317 755 HG23 VAL 93 HG23 VAL 93 36.807 9.328 1.263 756 H GLU 94 H GLU 94 38.329 8.493 6.288 757 HA GLU 94 HA GLU 94 38.284 5.695 6.004 758 HB2 GLU 94 HB2 GLU 94 39.464 7.580 8.008 759 HB3 GLU 94 HB3 GLU 94 39.478 5.853 8.335 760 HG2 GLU 94 HG2 GLU 94 40.450 5.848 5.835 761 HG3 GLU 94 HG3 GLU 94 41.017 7.426 6.379 762 H ARG 95 H ARG 95 36.626 7.871 8.209 763 HA ARG 95 HA ARG 95 35.642 5.875 9.966 764 HB2 ARG 95 HB2 ARG 95 35.696 8.132 10.743 765 HB3 ARG 95 HB3 ARG 95 34.742 8.692 9.376 766 HG2 ARG 95 HG2 ARG 95 33.406 8.630 11.397 767 HG3 ARG 95 HG3 ARG 95 32.807 7.461 10.218 768 HD2 ARG 95 HD2 ARG 95 32.799 6.391 12.343 769 HD3 ARG 95 HD3 ARG 95 34.136 5.709 11.418 770 HE ARG 95 HE ARG 95 34.994 7.891 13.026 771 HH11 ARG 95 HH11 ARG 95 34.119 4.523 13.150 772 HH12 ARG 95 HH12 ARG 95 35.091 4.188 14.544 773 HH21 ARG 95 HH21 ARG 95 36.278 7.461 14.862 774 HH22 ARG 95 HH22 ARG 95 36.318 5.860 15.518 775 H LEU 96 H LEU 96 34.350 7.403 7.056 776 HA LEU 96 HA LEU 96 31.793 6.165 7.206 777 HB2 LEU 96 HB2 LEU 96 33.284 7.810 5.277 778 HB3 LEU 96 HB3 LEU 96 32.089 6.725 4.570 779 HG LEU 96 HG LEU 96 30.422 7.769 6.193 780 HD11 LEU 96 HD11 LEU 96 30.936 9.949 7.061 781 HD12 LEU 96 HD12 LEU 96 32.541 9.906 6.335 782 HD13 LEU 96 HD13 LEU 96 32.139 8.801 7.649 783 HD21 LEU 96 HD21 LEU 96 29.944 8.456 4.096 784 HD22 LEU 96 HD22 LEU 96 31.607 8.934 3.754 785 HD23 LEU 96 HD23 LEU 96 30.560 9.995 4.697 786 H GLU 97 H GLU 97 34.859 5.305 5.727 787 HA GLU 97 HA GLU 97 33.990 3.232 4.063 788 HB2 GLU 97 HB2 GLU 97 36.285 4.260 4.106 789 HB3 GLU 97 HB3 GLU 97 36.614 3.321 5.556 790 HG2 GLU 97 HG2 GLU 97 35.732 2.009 3.013 791 HG3 GLU 97 HG3 GLU 97 37.423 2.408 3.311 792 H TYR 98 H TYR 98 34.775 3.269 7.496 793 HA TYR 98 HA TYR 98 34.632 0.448 7.854 794 HB2 TYR 98 HB2 TYR 98 35.860 1.798 9.441 795 HB3 TYR 98 HB3 TYR 98 34.416 2.727 9.831 796 HD1 TYR 98 HD2 TYR 98 32.579 1.672 11.121 797 HD2 TYR 98 HD1 TYR 98 36.277 -0.324 10.452 798 HE1 TYR 98 HE2 TYR 98 32.051 0.099 12.936 799 HE2 TYR 98 HE1 TYR 98 35.759 -1.904 12.264 800 HH TYR 98 HH TYR 98 32.663 -2.151 13.658 801 H THR 99 H THR 99 32.311 3.068 8.008 802 HA THR 99 HA THR 99 30.224 1.526 9.210 803 HB THR 99 HB THR 99 28.776 3.389 8.778 804 HG1 THR 99 HG1 THR 99 29.629 5.164 7.461 805 HG21 THR 99 HG21 THR 99 29.765 4.716 10.290 806 HG22 THR 99 HG22 THR 99 31.132 5.047 9.226 807 HG23 THR 99 HG23 THR 99 31.118 3.589 10.219 808 H LEU 100 H LEU 100 31.280 2.169 5.944 809 HA LEU 100 HA LEU 100 28.908 1.230 4.662 810 HB2 LEU 100 HB2 LEU 100 29.921 1.794 2.729 811 HB3 LEU 100 HB3 LEU 100 30.978 2.688 3.820 812 HG LEU 100 HG LEU 100 32.422 0.520 3.760 813 HD11 LEU 100 HD11 LEU 100 30.374 -0.029 1.779 814 HD12 LEU 100 HD12 LEU 100 31.565 -1.107 2.505 815 HD13 LEU 100 HD13 LEU 100 32.003 -0.122 1.110 816 HD21 LEU 100 HD21 LEU 100 32.482 2.947 2.432 817 HD22 LEU 100 HD22 LEU 100 32.721 1.756 1.153 818 HD23 LEU 100 HD23 LEU 100 33.801 1.781 2.548 819 H ARG 101 H ARG 101 31.975 -0.224 5.604 820 HA ARG 101 HA ARG 101 31.509 -2.713 4.290 821 HB2 ARG 101 HB2 ARG 101 33.400 -3.522 5.694 822 HB3 ARG 101 HB3 ARG 101 33.771 -2.060 4.791 823 HG2 ARG 101 HG2 ARG 101 33.440 -0.717 6.787 824 HG3 ARG 101 HG3 ARG 101 33.006 -2.162 7.701 825 HD2 ARG 101 HD2 ARG 101 35.670 -1.572 6.418 826 HD3 ARG 101 HD3 ARG 101 35.309 -1.562 8.144 827 HE ARG 101 HE ARG 101 34.642 -4.080 7.216 828 HH11 ARG 101 HH11 ARG 101 37.498 -2.101 7.438 829 HH12 ARG 101 HH12 ARG 101 38.578 -3.447 7.585 830 HH21 ARG 101 HH21 ARG 101 36.055 -5.861 7.408 831 HH22 ARG 101 HH22 ARG 101 37.756 -5.586 7.567 832 H GLU 102 H GLU 102 30.937 -1.475 7.540 833 HA GLU 102 HA GLU 102 30.145 -3.984 8.644 834 HB2 GLU 102 HB2 GLU 102 30.115 -1.145 9.529 835 HB3 GLU 102 HB3 GLU 102 29.015 -2.251 10.338 836 HG2 GLU 102 HG2 GLU 102 32.003 -2.540 10.131 837 HG3 GLU 102 HG3 GLU 102 31.089 -2.069 11.562 838 H PHE 103 H PHE 103 28.448 -1.265 7.182 839 HA PHE 103 HA PHE 103 25.828 -2.021 7.827 840 HB2 PHE 103 HB2 PHE 103 26.608 0.187 6.839 841 HB3 PHE 103 HB3 PHE 103 26.639 -0.626 5.278 842 HD1 PHE 103 HD2 PHE 103 24.510 -1.570 4.356 843 HD2 PHE 103 HD1 PHE 103 24.603 0.990 7.755 844 HE1 PHE 103 HE2 PHE 103 22.114 -1.095 4.059 845 HE2 PHE 103 HE1 PHE 103 22.207 1.469 7.464 846 HZ PHE 103 HZ PHE 103 20.959 0.425 5.615 847 H HIS 104 H HIS 104 27.967 -3.012 5.224 848 HA HIS 104 HA HIS 104 25.996 -4.410 3.721 849 HB2 HIS 104 HB2 HIS 104 27.802 -3.971 2.383 850 HB3 HIS 104 HB3 HIS 104 28.961 -4.190 3.691 851 HD1 HIS 104 HD1 HIS 104 26.481 -6.627 2.134 852 HD2 HIS 104 HD2 HIS 104 30.541 -6.240 2.927 853 HE1 HIS 104 HE1 HIS 104 27.520 -8.795 1.396 854 H GLU 105 H GLU 105 28.327 -5.361 6.203 855 HA GLU 105 HA GLU 105 27.786 -8.145 6.048 856 HB2 GLU 105 HB2 GLU 105 29.675 -6.602 7.303 857 HB3 GLU 105 HB3 GLU 105 28.684 -7.135 8.654 858 HG2 GLU 105 HG2 GLU 105 29.475 -9.207 6.708 859 HG3 GLU 105 HG3 GLU 105 30.759 -8.525 7.705 860 H LYS 106 H LYS 106 26.660 -5.579 8.230 861 HA LYS 106 HA LYS 106 25.070 -7.164 9.894 862 HB2 LYS 106 HB2 LYS 106 24.356 -5.204 10.819 863 HB3 LYS 106 HB3 LYS 106 25.749 -4.589 9.939 864 HG2 LYS 106 HG2 LYS 106 24.131 -4.106 8.035 865 HG3 LYS 106 HG3 LYS 106 22.846 -4.387 9.213 866 HD2 LYS 106 HD2 LYS 106 25.085 -2.418 9.648 867 HD3 LYS 106 HD3 LYS 106 23.544 -1.981 8.906 868 HE2 LYS 106 HE2 LYS 106 23.183 -1.445 11.123 869 HE3 LYS 106 HE3 LYS 106 22.513 -3.073 11.025 870 HZ1 LYS 106 HZ1 LYS 106 25.258 -3.218 11.643 871 HZ2 LYS 106 HZ2 LYS 106 23.938 -3.745 12.560 872 HZ3 LYS 106 HZ3 LYS 106 24.506 -2.160 12.728 873 H LEU 107 H LEU 107 24.440 -5.789 6.735 874 HA LEU 107 HA LEU 107 21.633 -6.271 6.740 875 HB2 LEU 107 HB2 LEU 107 23.279 -4.816 5.183 876 HB3 LEU 107 HB3 LEU 107 23.073 -6.239 4.164 877 HG LEU 107 HG LEU 107 20.492 -5.515 4.978 878 HD11 LEU 107 HD11 LEU 107 21.886 -3.089 3.890 879 HD12 LEU 107 HD12 LEU 107 21.620 -3.329 5.617 880 HD13 LEU 107 HD13 LEU 107 20.244 -3.227 4.519 881 HD21 LEU 107 HD21 LEU 107 20.382 -4.779 2.522 882 HD22 LEU 107 HD22 LEU 107 20.808 -6.455 2.866 883 HD23 LEU 107 HD23 LEU 107 22.066 -5.295 2.435 884 H ARG 108 H ARG 108 24.454 -8.119 5.769 885 HA ARG 108 HA ARG 108 23.295 -10.111 4.243 886 HB2 ARG 108 HB2 ARG 108 25.788 -9.662 5.452 887 HB3 ARG 108 HB3 ARG 108 25.262 -11.236 6.034 888 HG2 ARG 108 HG2 ARG 108 24.708 -11.503 3.418 889 HG3 ARG 108 HG3 ARG 108 26.071 -10.385 3.336 890 HD2 ARG 108 HD2 ARG 108 26.073 -13.001 4.837 891 HD3 ARG 108 HD3 ARG 108 26.741 -12.769 3.222 892 HE ARG 108 HE ARG 108 27.810 -10.979 5.208 893 HH11 ARG 108 HH11 ARG 108 28.108 -14.093 3.680 894 HH12 ARG 108 HH12 ARG 108 29.788 -14.266 4.064 895 HH21 ARG 108 HH21 ARG 108 30.022 -11.196 5.720 896 HH22 ARG 108 HH22 ARG 108 30.876 -12.618 5.226 897 H ASP 109 H ASP 109 23.426 -9.786 7.752 898 HA ASP 109 HA ASP 109 22.379 -12.339 8.368 899 HB2 ASP 109 HB2 ASP 109 23.551 -10.569 9.895 900 HB3 ASP 109 HB3 ASP 109 21.917 -9.953 10.125 901 H LEU 110 H LEU 110 20.886 -9.232 7.679 902 HA LEU 110 HA LEU 110 18.258 -9.925 8.463 903 HB2 LEU 110 HB2 LEU 110 18.837 -7.625 8.225 904 HB3 LEU 110 HB3 LEU 110 19.322 -7.862 6.548 905 HG LEU 110 HG LEU 110 16.767 -8.551 6.306 906 HD11 LEU 110 HD11 LEU 110 15.357 -7.843 7.891 907 HD12 LEU 110 HD12 LEU 110 16.251 -6.347 8.157 908 HD13 LEU 110 HD13 LEU 110 16.775 -7.838 8.939 909 HD21 LEU 110 HD21 LEU 110 18.345 -6.315 5.711 910 HD22 LEU 110 HD22 LEU 110 16.844 -5.680 6.385 911 HD23 LEU 110 HD23 LEU 110 16.798 -6.763 4.992 912 H LEU 111 H LEU 111 19.818 -9.848 5.262 913 HA LEU 111 HA LEU 111 17.613 -10.835 3.824 914 HB2 LEU 111 HB2 LEU 111 20.525 -10.562 3.333 915 HB3 LEU 111 HB3 LEU 111 19.621 -11.646 2.278 916 HG LEU 111 HG LEU 111 18.267 -9.863 1.471 917 HD11 LEU 111 HD11 LEU 111 17.719 -8.505 3.242 918 HD12 LEU 111 HD12 LEU 111 18.869 -7.489 2.374 919 HD13 LEU 111 HD13 LEU 111 19.385 -8.380 3.806 920 HD21 LEU 111 HD21 LEU 111 20.537 -8.177 1.275 921 HD22 LEU 111 HD22 LEU 111 19.903 -9.311 0.082 922 HD23 LEU 111 HD23 LEU 111 21.101 -9.848 1.261 923 H ILE 112 H ILE 112 20.221 -12.442 5.539 924 HA ILE 112 HA ILE 112 19.761 -15.047 4.536 925 HB ILE 112 HB ILE 112 21.095 -14.046 7.040 926 HG12 ILE 112 HG12 ILE 112 22.331 -15.589 4.775 927 HG13 ILE 112 HG13 ILE 112 22.084 -13.851 4.651 928 HG21 ILE 112 HG21 ILE 112 21.944 -16.561 6.988 929 HG22 ILE 112 HG22 ILE 112 20.503 -16.074 7.880 930 HG23 ILE 112 HG23 ILE 112 20.345 -16.814 6.287 931 HD11 ILE 112 HD11 ILE 112 23.953 -15.387 6.369 932 HD12 ILE 112 HD12 ILE 112 24.218 -13.913 5.437 933 HD13 ILE 112 HD13 ILE 112 23.333 -13.846 6.961 934 H SER 113 H SER 113 18.302 -13.177 7.096 935 HA SER 113 HA SER 113 17.000 -15.375 8.375 936 HB2 SER 113 HB2 SER 113 17.391 -13.395 9.674 937 HB3 SER 113 HB3 SER 113 16.543 -12.389 8.500 938 HG SER 113 HG SER 113 14.656 -13.080 9.238 939 H MET 114 H MET 114 16.322 -13.402 5.628 940 HA MET 114 HA MET 114 13.535 -14.300 5.545 941 HB2 MET 114 HB2 MET 114 15.036 -12.229 3.941 942 HB3 MET 114 HB3 MET 114 13.377 -12.704 3.602 943 HG2 MET 114 HG2 MET 114 12.950 -12.088 6.075 944 HG3 MET 114 HG3 MET 114 14.471 -11.208 5.942 945 HE1 MET 114 HE1 MET 114 14.000 -8.288 5.275 946 HE2 MET 114 HE2 MET 114 15.033 -9.523 4.556 947 HE3 MET 114 HE3 MET 114 14.014 -8.516 3.526 948 H GLU 115 H GLU 115 16.414 -15.486 4.645 949 HA GLU 115 HA GLU 115 17.091 -17.093 3.183 950 HB2 GLU 115 HB2 GLU 115 14.191 -17.371 2.394 951 HB3 GLU 115 HB3 GLU 115 15.462 -18.577 2.249 952 HG2 GLU 115 HG2 GLU 115 15.611 -18.373 4.824 953 HG3 GLU 115 HG3 GLU 115 14.010 -17.648 4.686 954 H LEU 116 H LEU 116 16.982 -14.333 2.358 955 HA LEU 116 HA LEU 116 16.397 -14.564 -0.511 956 HB2 LEU 116 HB2 LEU 116 16.356 -12.365 1.438 957 HB3 LEU 116 HB3 LEU 116 17.031 -11.952 -0.137 958 HG LEU 116 HG LEU 116 14.600 -11.438 0.143 959 HD11 LEU 116 HD11 LEU 116 14.945 -13.489 -2.007 960 HD12 LEU 116 HD12 LEU 116 15.854 -11.979 -2.050 961 HD13 LEU 116 HD13 LEU 116 14.091 -11.947 -2.058 962 HD21 LEU 116 HD21 LEU 116 13.017 -13.304 -0.005 963 HD22 LEU 116 HD22 LEU 116 13.965 -13.366 1.481 964 HD23 LEU 116 HD23 LEU 116 14.354 -14.445 0.140 965 H ALA 117 H ALA 117 17.966 -14.407 -2.021 966 HA ALA 117 HA ALA 117 20.708 -14.579 -1.127 967 HB1 ALA 117 HB1 ALA 117 19.230 -15.435 -3.405 968 HB2 ALA 117 HB2 ALA 117 20.588 -14.450 -3.949 969 HB3 ALA 117 HB3 ALA 117 20.875 -15.860 -2.929 970 H LEU 118 H LEU 118 22.416 -13.229 -1.887 971 HA LEU 118 HA LEU 118 21.566 -10.571 -2.817 972 HB2 LEU 118 HB2 LEU 118 21.978 -10.430 -0.437 973 HB3 LEU 118 HB3 LEU 118 23.555 -11.191 -0.639 974 HG LEU 118 HG LEU 118 23.093 -8.662 -2.112 975 HD11 LEU 118 HD11 LEU 118 22.133 -7.885 -0.143 976 HD12 LEU 118 HD12 LEU 118 23.835 -7.460 0.038 977 HD13 LEU 118 HD13 LEU 118 23.184 -8.870 0.875 978 HD21 LEU 118 HD21 LEU 118 25.248 -10.321 -1.477 979 HD22 LEU 118 HD22 LEU 118 25.471 -8.869 -0.501 980 HD23 LEU 118 HD23 LEU 118 25.308 -8.738 -2.253 981 H GLU 119 H GLU 119 22.904 -9.558 -4.263 982 HA GLU 119 HA GLU 119 25.405 -10.919 -4.985 983 HB2 GLU 119 HB2 GLU 119 23.033 -10.419 -6.691 984 HB3 GLU 119 HB3 GLU 119 24.600 -10.097 -7.420 985 HG2 GLU 119 HG2 GLU 119 25.313 -12.367 -6.951 986 HG3 GLU 119 HG3 GLU 119 23.777 -12.700 -6.153 987 HA PRO 120 HA PRO 120 27.241 -6.941 -5.176 988 HB2 PRO 120 HB2 PRO 120 28.944 -7.181 -7.276 989 HB3 PRO 120 HB3 PRO 120 29.215 -7.982 -5.723 990 HG2 PRO 120 HG2 PRO 120 28.075 -9.098 -8.257 991 HG3 PRO 120 HG3 PRO 120 29.245 -9.825 -7.141 992 HD2 PRO 120 HD2 PRO 120 26.620 -10.487 -7.134 993 HD3 PRO 120 HD3 PRO 120 27.609 -10.491 -5.660 994 H SER 121 H SER 121 27.695 -5.054 -6.632 995 HA SER 121 HA SER 121 25.381 -4.596 -8.321 996 HB2 SER 121 HB2 SER 121 26.851 -2.286 -8.448 997 HB3 SER 121 HB3 SER 121 25.624 -2.630 -7.229 998 HG SER 121 HG SER 121 27.632 -1.980 -6.314 999 H ASP 122 H ASP 122 26.017 -3.006 -10.276 1000 HA ASP 122 HA ASP 122 27.422 -4.679 -12.127 1001 HB2 ASP 122 HB2 ASP 122 26.894 -2.897 -13.769 1002 HB3 ASP 122 HB3 ASP 122 25.476 -3.434 -12.872 1003 H ASP 123 H ASP 123 28.130 -1.737 -10.363 1004 HA ASP 123 HA ASP 123 30.694 -1.452 -11.741 1005 HB2 ASP 123 HB2 ASP 123 30.849 0.641 -10.278 1006 HB3 ASP 123 HB3 ASP 123 29.606 0.632 -11.526 1007 H PHE 124 H PHE 124 30.069 -3.654 -9.854 1008 HA PHE 124 HA PHE 124 31.797 -3.063 -7.580 1009 HB2 PHE 124 HB2 PHE 124 29.642 -4.304 -7.278 1010 HB3 PHE 124 HB3 PHE 124 30.326 -5.627 -8.215 1011 HD1 PHE 124 HD2 PHE 124 30.701 -3.674 -5.101 1012 HD2 PHE 124 HD1 PHE 124 31.754 -7.209 -7.225 1013 HE1 PHE 124 HE2 PHE 124 31.691 -4.607 -3.051 1014 HE2 PHE 124 HE1 PHE 124 32.745 -8.148 -5.178 1015 HZ PHE 124 HZ PHE 124 32.716 -6.846 -3.088 1016 H ASN 125 H ASN 125 33.631 -4.344 -7.060 1017 HA ASN 125 HA ASN 125 35.592 -5.408 -7.500 1018 HB2 ASN 125 HB2 ASN 125 33.869 -7.221 -8.178 1019 HB3 ASN 125 HB3 ASN 125 34.294 -6.793 -9.832 1020 HD21 ASN 125 HD21 ASN 125 35.780 -7.674 -6.741 1021 HD22 ASN 125 HD22 ASN 125 37.060 -8.611 -7.427 1022 H ASP 126 H ASP 126 35.242 -2.873 -8.597 1023 HA ASP 126 HA ASP 126 36.839 -3.100 -11.061 1024 HB2 ASP 126 HB2 ASP 126 34.438 -2.304 -11.400 1025 HB3 ASP 126 HB3 ASP 126 34.907 -0.846 -10.530 1026 H GLU 127 H GLU 127 36.084 -1.210 -8.179 1027 HA GLU 127 HA GLU 127 38.796 -0.513 -7.752 1028 HB2 GLU 127 HB2 GLU 127 38.468 1.981 -7.987 1029 HB3 GLU 127 HB3 GLU 127 38.562 1.082 -9.495 1030 HG2 GLU 127 HG2 GLU 127 36.246 1.267 -9.870 1031 HG3 GLU 127 HG3 GLU 127 35.946 1.813 -8.221 1032 HA PRO 128 HA PRO 128 35.820 -0.323 -4.162 1033 HB2 PRO 128 HB2 PRO 128 37.132 -2.159 -2.653 1034 HB3 PRO 128 HB3 PRO 128 35.894 -2.596 -3.836 1035 HG2 PRO 128 HG2 PRO 128 38.875 -2.669 -4.099 1036 HG3 PRO 128 HG3 PRO 128 37.676 -3.864 -4.626 1037 HD2 PRO 128 HD2 PRO 128 38.815 -2.093 -6.329 1038 HD3 PRO 128 HD3 PRO 128 37.153 -2.682 -6.535 1039 H VAL 129 H VAL 129 36.198 0.615 -2.128 1040 HA VAL 129 HA VAL 129 38.433 2.361 -1.989 1041 HB VAL 129 HB VAL 129 37.562 3.009 0.218 1042 HG11 VAL 129 HG11 VAL 129 36.609 4.029 -1.771 1043 HG12 VAL 129 HG12 VAL 129 35.435 2.718 -1.902 1044 HG13 VAL 129 HG13 VAL 129 35.372 3.826 -0.531 1045 HG21 VAL 129 HG21 VAL 129 36.774 1.104 1.258 1046 HG22 VAL 129 HG22 VAL 129 35.274 1.902 0.787 1047 HG23 VAL 129 HG23 VAL 129 35.896 0.558 -0.171 1048 H LYS 130 H LYS 130 39.735 2.523 0.109 1049 HA LYS 130 HA LYS 130 41.215 0.089 0.405 1050 HB2 LYS 130 HB2 LYS 130 41.437 2.843 1.590 1051 HB3 LYS 130 HB3 LYS 130 42.437 1.522 2.182 1052 HG2 LYS 130 HG2 LYS 130 43.448 1.237 0.032 1053 HG3 LYS 130 HG3 LYS 130 42.332 2.395 -0.696 1054 HD2 LYS 130 HD2 LYS 130 44.384 3.542 -0.359 1055 HD3 LYS 130 HD3 LYS 130 43.272 4.120 0.884 1056 HE2 LYS 130 HE2 LYS 130 45.417 3.722 1.889 1057 HE3 LYS 130 HE3 LYS 130 44.285 2.500 2.467 1058 HZ1 LYS 130 HZ1 LYS 130 46.712 1.954 1.496 1059 HZ2 LYS 130 HZ2 LYS 130 45.781 1.775 0.096 1060 HZ3 LYS 130 HZ3 LYS 130 45.422 0.860 1.473 1061 H LEU 131 H LEU 131 40.080 -1.488 1.434 1062 HA LEU 131 HA LEU 131 38.437 -1.042 3.707 1063 HB2 LEU 131 HB2 LEU 131 39.463 -3.391 2.224 1064 HB3 LEU 131 HB3 LEU 131 38.938 -3.662 3.885 1065 HG LEU 131 HG LEU 131 37.207 -4.152 2.165 1066 HD11 LEU 131 HD11 LEU 131 36.908 -2.343 4.460 1067 HD12 LEU 131 HD12 LEU 131 36.083 -3.856 4.087 1068 HD13 LEU 131 HD13 LEU 131 35.555 -2.354 3.328 1069 HD21 LEU 131 HD21 LEU 131 36.131 -2.370 0.981 1070 HD22 LEU 131 HD22 LEU 131 37.859 -2.301 0.632 1071 HD23 LEU 131 HD23 LEU 131 37.143 -1.164 1.776 1072 H SER 132 H SER 132 41.820 -1.628 3.269 1073 HA SER 132 HA SER 132 42.203 -2.207 6.109 1074 HB2 SER 132 HB2 SER 132 43.390 -3.495 4.236 1075 HB3 SER 132 HB3 SER 132 44.374 -2.047 4.021 1076 HG SER 132 HG SER 132 44.075 -3.395 6.498 1077 H ALA 133 H ALA 133 41.350 0.433 5.119 1078 HA ALA 133 HA ALA 133 43.637 2.168 5.445 1079 HB1 ALA 133 HB1 ALA 133 40.797 3.112 5.457 1080 HB2 ALA 133 HB2 ALA 133 42.241 3.924 4.852 1081 HB3 ALA 133 HB3 ALA 133 41.557 2.563 3.963 Start of MODEL 13 1 H MET 1 H MET 1 1.886 -0.226 0.505 2 HA MET 1 HA MET 1 1.402 -0.620 -2.375 3 HB2 MET 1 HB2 MET 1 1.859 1.789 -1.524 4 HB3 MET 1 HB3 MET 1 3.520 1.240 -1.337 5 HG2 MET 1 HG2 MET 1 2.133 0.812 -3.936 6 HG3 MET 1 HG3 MET 1 2.734 2.418 -3.529 7 HE1 MET 1 HE1 MET 1 4.139 0.750 -6.216 8 HE2 MET 1 HE2 MET 1 4.904 -0.714 -5.600 9 HE3 MET 1 HE3 MET 1 3.180 -0.444 -5.341 10 H THR 2 H THR 2 2.100 -2.758 -2.336 11 HA THR 2 HA THR 2 4.630 -3.496 -1.195 12 HB THR 2 HB THR 2 4.230 -5.702 -2.171 13 HG1 THR 2 HG1 THR 2 2.155 -5.933 -3.332 14 HG21 THR 2 HG21 THR 2 2.516 -6.300 -0.756 15 HG22 THR 2 HG22 THR 2 1.538 -4.893 -1.171 16 HG23 THR 2 HG23 THR 2 2.931 -4.715 -0.105 17 H LEU 3 H LEU 3 6.381 -4.472 -2.444 18 HA LEU 3 HA LEU 3 7.238 -2.782 -4.545 19 HB2 LEU 3 HB2 LEU 3 8.412 -5.484 -4.004 20 HB3 LEU 3 HB3 LEU 3 9.219 -4.019 -4.561 21 HG LEU 3 HG LEU 3 8.201 -4.566 -1.774 22 HD11 LEU 3 HD11 LEU 3 10.626 -4.354 -1.222 23 HD12 LEU 3 HD12 LEU 3 10.965 -4.367 -2.952 24 HD13 LEU 3 HD13 LEU 3 10.218 -5.771 -2.191 25 HD21 LEU 3 HD21 LEU 3 9.573 -2.125 -2.896 26 HD22 LEU 3 HD22 LEU 3 9.212 -2.412 -1.194 27 HD23 LEU 3 HD23 LEU 3 7.897 -2.221 -2.354 28 HA PRO 4 HA PRO 4 5.634 -4.704 -8.152 29 HB2 PRO 4 HB2 PRO 4 7.635 -4.234 -9.926 30 HB3 PRO 4 HB3 PRO 4 6.553 -2.965 -9.340 31 HG2 PRO 4 HG2 PRO 4 9.328 -3.649 -8.449 32 HG3 PRO 4 HG3 PRO 4 8.607 -2.056 -8.740 33 HD2 PRO 4 HD2 PRO 4 8.891 -3.094 -6.255 34 HD3 PRO 4 HD3 PRO 4 7.546 -2.023 -6.694 35 H SER 5 H SER 5 8.647 -5.738 -6.807 36 HA SER 5 HA SER 5 9.070 -7.934 -8.601 37 HB2 SER 5 HB2 SER 5 10.691 -8.655 -6.729 38 HB3 SER 5 HB3 SER 5 11.034 -7.144 -7.571 39 HG SER 5 HG SER 5 10.814 -7.439 -5.016 40 H GLY 6 H GLY 6 6.994 -7.377 -5.986 41 HA2 GLY 6 HA2 GLY 6 5.232 -9.005 -5.605 42 HA3 GLY 6 HA3 GLY 6 6.434 -10.269 -5.817 43 H HIS 7 H HIS 7 8.324 -8.532 -4.162 44 HA HIS 7 HA HIS 7 7.739 -9.779 -1.659 45 HB2 HIS 7 HB2 HIS 7 9.982 -8.489 -2.886 46 HB3 HIS 7 HB3 HIS 7 9.712 -7.772 -1.301 47 HD1 HIS 7 HD1 HIS 7 9.507 -11.392 -2.471 48 HD2 HIS 7 HD2 HIS 7 11.400 -9.038 0.381 49 HE1 HIS 7 HE1 HIS 7 10.851 -12.988 -1.067 50 HA PRO 8 HA PRO 8 5.321 -6.662 0.279 51 HB2 PRO 8 HB2 PRO 8 5.967 -7.113 2.877 52 HB3 PRO 8 HB3 PRO 8 4.929 -8.197 1.943 53 HG2 PRO 8 HG2 PRO 8 7.844 -8.447 2.579 54 HG3 PRO 8 HG3 PRO 8 6.582 -9.692 2.609 55 HD2 PRO 8 HD2 PRO 8 8.326 -9.435 0.555 56 HD3 PRO 8 HD3 PRO 8 6.660 -10.005 0.327 57 H LYS 9 H LYS 9 5.710 -4.548 0.292 58 HA LYS 9 HA LYS 9 8.317 -3.462 0.671 59 HB2 LYS 9 HB2 LYS 9 6.557 -2.485 -0.820 60 HB3 LYS 9 HB3 LYS 9 5.680 -1.986 0.620 61 HG2 LYS 9 HG2 LYS 9 7.280 -0.401 1.197 62 HG3 LYS 9 HG3 LYS 9 8.518 -1.142 0.179 63 HD2 LYS 9 HD2 LYS 9 6.944 -0.545 -1.778 64 HD3 LYS 9 HD3 LYS 9 6.172 0.545 -0.625 65 HE2 LYS 9 HE2 LYS 9 8.520 1.452 -0.185 66 HE3 LYS 9 HE3 LYS 9 8.996 0.592 -1.649 67 HZ1 LYS 9 HZ1 LYS 9 7.966 3.109 -1.536 68 HZ2 LYS 9 HZ2 LYS 9 6.640 2.176 -2.018 69 HZ3 LYS 9 HZ3 LYS 9 8.070 2.144 -2.922 70 H SER 10 H SER 10 5.296 -3.104 2.534 71 HA SER 10 HA SER 10 6.316 -1.635 4.650 72 HB2 SER 10 HB2 SER 10 3.883 -2.202 4.183 73 HB3 SER 10 HB3 SER 10 4.188 -3.758 4.954 74 HG SER 10 HG SER 10 4.770 -1.302 6.228 75 H ARG 11 H ARG 11 6.190 -5.149 4.229 76 HA ARG 11 HA ARG 11 7.184 -5.862 6.752 77 HB2 ARG 11 HB2 ARG 11 6.153 -7.319 4.849 78 HB3 ARG 11 HB3 ARG 11 7.816 -7.459 4.295 79 HG2 ARG 11 HG2 ARG 11 7.790 -9.279 5.619 80 HG3 ARG 11 HG3 ARG 11 8.160 -8.093 6.872 81 HD2 ARG 11 HD2 ARG 11 5.307 -8.628 6.217 82 HD3 ARG 11 HD3 ARG 11 6.194 -9.833 7.150 83 HE ARG 11 HE ARG 11 6.720 -7.494 8.432 84 HH11 ARG 11 HH11 ARG 11 3.807 -9.144 7.477 85 HH12 ARG 11 HH12 ARG 11 2.868 -8.522 8.793 86 HH21 ARG 11 HH21 ARG 11 5.494 -6.668 10.170 87 HH22 ARG 11 HH22 ARG 11 3.828 -7.113 10.324 88 H LEU 12 H LEU 12 8.813 -4.979 3.761 89 HA LEU 12 HA LEU 12 11.427 -5.703 4.589 90 HB2 LEU 12 HB2 LEU 12 10.178 -4.430 2.320 91 HB3 LEU 12 HB3 LEU 12 11.673 -3.607 2.762 92 HG LEU 12 HG LEU 12 12.823 -5.838 2.624 93 HD11 LEU 12 HD11 LEU 12 10.630 -6.864 0.934 94 HD12 LEU 12 HD12 LEU 12 10.380 -6.928 2.679 95 HD13 LEU 12 HD13 LEU 12 11.778 -7.727 1.959 96 HD21 LEU 12 HD21 LEU 12 12.018 -4.048 0.584 97 HD22 LEU 12 HD22 LEU 12 11.952 -5.681 -0.080 98 HD23 LEU 12 HD23 LEU 12 13.448 -5.079 0.637 99 H ILE 13 H ILE 13 9.579 -2.695 4.737 100 HA ILE 13 HA ILE 13 11.584 -0.965 5.581 101 HB ILE 13 HB ILE 13 8.661 -0.955 6.337 102 HG12 ILE 13 HG12 ILE 13 9.140 -0.824 3.907 103 HG13 ILE 13 HG13 ILE 13 8.412 0.652 4.530 104 HG21 ILE 13 HG21 ILE 13 9.576 0.460 7.912 105 HG22 ILE 13 HG22 ILE 13 10.869 0.991 6.838 106 HG23 ILE 13 HG23 ILE 13 9.224 1.574 6.592 107 HD11 ILE 13 HD11 ILE 13 10.629 1.694 4.602 108 HD12 ILE 13 HD12 ILE 13 11.326 0.222 3.924 109 HD13 ILE 13 HD13 ILE 13 10.181 1.173 2.978 110 H LYS 14 H LYS 14 9.385 -2.952 7.549 111 HA LYS 14 HA LYS 14 10.464 -2.166 10.043 112 HB2 LYS 14 HB2 LYS 14 8.770 -4.477 9.137 113 HB3 LYS 14 HB3 LYS 14 9.366 -4.394 10.790 114 HG2 LYS 14 HG2 LYS 14 7.298 -3.424 10.994 115 HG3 LYS 14 HG3 LYS 14 8.325 -2.008 10.756 116 HD2 LYS 14 HD2 LYS 14 7.749 -1.983 8.382 117 HD3 LYS 14 HD3 LYS 14 6.742 -3.416 8.605 118 HE2 LYS 14 HE2 LYS 14 6.218 -1.033 10.309 119 HE3 LYS 14 HE3 LYS 14 5.715 -0.981 8.620 120 HZ1 LYS 14 HZ1 LYS 14 4.317 -2.091 10.684 121 HZ2 LYS 14 HZ2 LYS 14 4.979 -3.431 9.892 122 HZ3 LYS 14 HZ3 LYS 14 4.019 -2.333 9.036 123 H LYS 15 H LYS 15 11.269 -4.711 7.768 124 HA LYS 15 HA LYS 15 12.964 -6.206 9.465 125 HB2 LYS 15 HB2 LYS 15 12.493 -6.027 6.533 126 HB3 LYS 15 HB3 LYS 15 13.993 -6.775 7.065 127 HG2 LYS 15 HG2 LYS 15 12.932 -8.568 8.004 128 HG3 LYS 15 HG3 LYS 15 11.447 -7.666 8.313 129 HD2 LYS 15 HD2 LYS 15 10.703 -7.896 6.125 130 HD3 LYS 15 HD3 LYS 15 12.323 -8.219 5.504 131 HE2 LYS 15 HE2 LYS 15 11.122 -10.273 5.452 132 HE3 LYS 15 HE3 LYS 15 12.279 -10.377 6.777 133 HZ1 LYS 15 HZ1 LYS 15 10.003 -9.339 7.900 134 HZ2 LYS 15 HZ2 LYS 15 10.566 -10.927 8.053 135 HZ3 LYS 15 HZ3 LYS 15 9.438 -10.542 6.852 136 H PHE 16 H PHE 16 13.677 -3.711 7.029 137 HA PHE 16 HA PHE 16 16.463 -3.673 7.464 138 HB2 PHE 16 HB2 PHE 16 14.619 -1.545 6.361 139 HB3 PHE 16 HB3 PHE 16 16.377 -1.460 6.309 140 HD1 PHE 16 HD2 PHE 16 17.284 -4.006 5.488 141 HD2 PHE 16 HD1 PHE 16 13.763 -1.944 4.277 142 HE1 PHE 16 HE2 PHE 16 17.282 -5.260 3.370 143 HE2 PHE 16 HE1 PHE 16 13.755 -3.195 2.159 144 HZ PHE 16 HZ PHE 16 15.516 -4.854 1.702 145 H THR 17 H THR 17 13.824 -2.320 9.210 146 HA THR 17 HA THR 17 15.150 -0.181 10.491 147 HB THR 17 HB THR 17 12.797 -1.822 11.451 148 HG1 THR 17 HG1 THR 17 12.970 0.652 10.042 149 HG21 THR 17 HG21 THR 17 12.349 0.374 12.731 150 HG22 THR 17 HG22 THR 17 14.064 0.698 12.478 151 HG23 THR 17 HG23 THR 17 13.560 -0.736 13.373 152 H ALA 18 H ALA 18 15.258 -3.592 10.954 153 HA ALA 18 HA ALA 18 16.226 -3.481 13.668 154 HB1 ALA 18 HB1 ALA 18 16.717 -5.944 12.160 155 HB2 ALA 18 HB2 ALA 18 15.894 -5.698 13.701 156 HB3 ALA 18 HB3 ALA 18 15.030 -5.428 12.187 157 H LEU 19 H LEU 19 17.582 -2.871 10.676 158 HA LEU 19 HA LEU 19 20.270 -3.686 11.540 159 HB2 LEU 19 HB2 LEU 19 19.504 -2.701 8.807 160 HB3 LEU 19 HB3 LEU 19 20.947 -3.596 9.280 161 HG LEU 19 HG LEU 19 18.146 -4.719 9.230 162 HD11 LEU 19 HD11 LEU 19 20.276 -4.533 7.198 163 HD12 LEU 19 HD12 LEU 19 18.529 -4.668 7.007 164 HD13 LEU 19 HD13 LEU 19 19.490 -6.103 7.365 165 HD21 LEU 19 HD21 LEU 19 19.077 -6.191 10.645 166 HD22 LEU 19 HD22 LEU 19 20.721 -5.687 10.251 167 HD23 LEU 19 HD23 LEU 19 19.869 -6.820 9.200 168 H GLY 20 H GLY 20 18.360 -1.110 11.858 169 HA2 GLY 20 HA2 GLY 20 20.324 0.688 12.605 170 HA3 GLY 20 HA3 GLY 20 19.984 1.031 10.915 171 HA PRO 21 HA PRO 21 17.071 3.625 13.328 172 HB2 PRO 21 HB2 PRO 21 17.158 5.708 11.589 173 HB3 PRO 21 HB3 PRO 21 18.350 5.478 12.874 174 HG2 PRO 21 HG2 PRO 21 18.544 4.795 9.966 175 HG3 PRO 21 HG3 PRO 21 19.756 5.542 11.023 176 HD2 PRO 21 HD2 PRO 21 19.815 2.915 10.367 177 HD3 PRO 21 HD3 PRO 21 20.390 3.521 11.933 178 H TYR 22 H TYR 22 15.014 4.644 12.615 179 HA TYR 22 HA TYR 22 13.480 2.868 11.072 180 HB2 TYR 22 HB2 TYR 22 12.873 5.712 11.904 181 HB3 TYR 22 HB3 TYR 22 11.693 4.580 11.252 182 HD1 TYR 22 HD2 TYR 22 11.209 2.462 12.560 183 HD2 TYR 22 HD1 TYR 22 13.396 5.723 14.198 184 HE1 TYR 22 HE2 TYR 22 10.762 1.616 14.826 185 HE2 TYR 22 HE1 TYR 22 12.956 4.886 16.468 186 HH TYR 22 HH TYR 22 10.725 3.039 17.347 187 H ILE 23 H ILE 23 13.055 2.745 8.961 188 HA ILE 23 HA ILE 23 14.442 4.473 7.133 189 HB ILE 23 HB ILE 23 12.473 2.245 6.599 190 HG12 ILE 23 HG12 ILE 23 14.758 1.206 5.793 191 HG13 ILE 23 HG13 ILE 23 15.448 2.380 6.909 192 HG21 ILE 23 HG21 ILE 23 12.380 3.195 4.566 193 HG22 ILE 23 HG22 ILE 23 13.832 4.157 4.837 194 HG23 ILE 23 HG23 ILE 23 13.973 2.469 4.350 195 HD11 ILE 23 HD11 ILE 23 14.536 1.351 8.757 196 HD12 ILE 23 HD12 ILE 23 13.273 0.554 7.820 197 HD13 ILE 23 HD13 ILE 23 14.938 -0.018 7.722 198 H ARG 24 H ARG 24 13.605 5.977 5.740 199 HA ARG 24 HA ARG 24 11.047 7.110 6.485 200 HB2 ARG 24 HB2 ARG 24 13.419 7.995 4.951 201 HB3 ARG 24 HB3 ARG 24 11.876 8.670 4.443 202 HG2 ARG 24 HG2 ARG 24 12.243 8.741 7.327 203 HG3 ARG 24 HG3 ARG 24 13.485 9.633 6.447 204 HD2 ARG 24 HD2 ARG 24 12.061 11.265 5.913 205 HD3 ARG 24 HD3 ARG 24 10.836 10.116 5.376 206 HE ARG 24 HE ARG 24 10.979 11.431 7.924 207 HH11 ARG 24 HH11 ARG 24 9.802 8.634 6.217 208 HH12 ARG 24 HH12 ARG 24 8.519 8.327 7.340 209 HH21 ARG 24 HH21 ARG 24 9.293 11.037 9.410 210 HH22 ARG 24 HH22 ARG 24 8.230 9.695 9.155 211 H GLU 25 H GLU 25 9.414 5.849 5.711 212 HA GLU 25 HA GLU 25 9.314 4.484 3.303 213 HB2 GLU 25 HB2 GLU 25 7.043 5.742 4.852 214 HB3 GLU 25 HB3 GLU 25 6.841 4.570 3.557 215 HG2 GLU 25 HG2 GLU 25 6.725 3.179 5.343 216 HG3 GLU 25 HG3 GLU 25 8.465 3.141 5.063 217 H GLY 26 H GLY 26 7.373 7.416 3.866 218 HA2 GLY 26 HA2 GLY 26 7.494 9.381 2.504 219 HA3 GLY 26 HA3 GLY 26 8.210 8.409 1.227 220 H GLN 27 H GLN 27 6.333 9.916 0.301 221 HA GLN 27 HA GLN 27 3.868 8.307 0.260 222 HB2 GLN 27 HB2 GLN 27 3.410 10.518 1.071 223 HB3 GLN 27 HB3 GLN 27 4.308 11.248 -0.253 224 HG2 GLN 27 HG2 GLN 27 2.642 10.452 -1.839 225 HG3 GLN 27 HG3 GLN 27 1.749 9.688 -0.525 226 HE21 GLN 27 HE21 GLN 27 2.486 12.627 -2.153 227 HE22 GLN 27 HE22 GLN 27 1.383 13.638 -1.289 228 H CYS 28 H CYS 28 6.438 9.648 -1.630 229 HA CYS 28 HA CYS 28 5.365 9.617 -4.185 230 HB2 CYS 28 HB2 CYS 28 7.621 9.477 -5.003 231 HB3 CYS 28 HB3 CYS 28 7.633 10.465 -3.547 232 HG CYS 28 HG CYS 28 9.367 9.081 -2.257 233 H GLU 29 H GLU 29 5.765 8.048 -5.938 234 HA GLU 29 HA GLU 29 5.293 5.317 -4.966 235 HB2 GLU 29 HB2 GLU 29 4.280 4.886 -7.151 236 HB3 GLU 29 HB3 GLU 29 3.516 6.257 -6.360 237 HG2 GLU 29 HG2 GLU 29 5.748 6.788 -8.243 238 HG3 GLU 29 HG3 GLU 29 4.183 6.318 -8.904 239 H ASP 30 H ASP 30 7.901 6.046 -4.853 240 HA ASP 30 HA ASP 30 9.198 5.070 -7.283 241 HB2 ASP 30 HB2 ASP 30 10.181 6.471 -4.812 242 HB3 ASP 30 HB3 ASP 30 11.307 5.650 -5.890 243 H ASN 31 H ASN 31 10.691 3.336 -7.256 244 HA ASN 31 HA ASN 31 10.114 1.360 -5.161 245 HB2 ASN 31 HB2 ASN 31 11.405 0.801 -7.830 246 HB3 ASN 31 HB3 ASN 31 10.631 -0.343 -6.737 247 HD21 ASN 31 HD21 ASN 31 8.268 0.538 -6.184 248 HD22 ASN 31 HD22 ASN 31 7.316 0.848 -7.593 249 H ARG 32 H ARG 32 11.849 3.218 -4.303 250 HA ARG 32 HA ARG 32 14.419 1.785 -4.333 251 HB2 ARG 32 HB2 ARG 32 15.630 3.874 -4.298 252 HB3 ARG 32 HB3 ARG 32 14.555 3.859 -5.689 253 HG2 ARG 32 HG2 ARG 32 12.919 5.149 -4.203 254 HG3 ARG 32 HG3 ARG 32 14.304 5.417 -3.144 255 HD2 ARG 32 HD2 ARG 32 14.108 7.298 -4.611 256 HD3 ARG 32 HD3 ARG 32 15.526 6.368 -5.092 257 HE ARG 32 HE ARG 32 13.173 5.635 -6.547 258 HH11 ARG 32 HH11 ARG 32 15.789 7.925 -6.361 259 HH12 ARG 32 HH12 ARG 32 15.730 8.327 -8.045 260 HH21 ARG 32 HH21 ARG 32 13.086 6.156 -8.766 261 HH22 ARG 32 HH22 ARG 32 14.192 7.321 -9.412 262 H PHE 33 H PHE 33 15.750 2.172 -2.413 263 HA PHE 33 HA PHE 33 14.106 2.796 -0.048 264 HB2 PHE 33 HB2 PHE 33 16.087 0.593 -0.533 265 HB3 PHE 33 HB3 PHE 33 15.779 1.164 1.104 266 HD1 PHE 33 HD1 PHE 33 13.053 1.517 1.440 267 HD2 PHE 33 HD2 PHE 33 14.996 -1.348 -1.036 268 HE1 PHE 33 HE1 PHE 33 11.074 0.062 1.577 269 HE2 PHE 33 HE2 PHE 33 13.020 -2.807 -0.905 270 HZ PHE 33 HZ PHE 33 11.055 -2.103 0.402 271 H PHE 34 H PHE 34 14.756 4.607 0.888 272 HA PHE 34 HA PHE 34 17.528 5.481 0.582 273 HB2 PHE 34 HB2 PHE 34 14.944 6.828 1.170 274 HB3 PHE 34 HB3 PHE 34 16.394 7.538 1.872 275 HD1 PHE 34 HD2 PHE 34 18.430 7.406 -0.037 276 HD2 PHE 34 HD1 PHE 34 14.260 7.933 -0.708 277 HE1 PHE 34 HE2 PHE 34 18.919 8.522 -2.174 278 HE2 PHE 34 HE1 PHE 34 14.742 9.049 -2.847 279 HZ PHE 34 HZ PHE 34 17.074 9.344 -3.584 280 H PHE 35 H PHE 35 18.883 5.919 2.302 281 HA PHE 35 HA PHE 35 17.931 5.273 4.995 282 HB2 PHE 35 HB2 PHE 35 20.309 4.006 3.629 283 HB3 PHE 35 HB3 PHE 35 20.051 3.953 5.370 284 HD1 PHE 35 HD1 PHE 35 18.223 2.650 6.318 285 HD2 PHE 35 HD2 PHE 35 18.991 2.677 2.132 286 HE1 PHE 35 HE1 PHE 35 16.814 0.652 6.050 287 HE2 PHE 35 HE2 PHE 35 17.582 0.680 1.857 288 HZ PHE 35 HZ PHE 35 16.490 -0.336 3.817 289 H ASP 36 H ASP 36 18.384 6.958 6.233 290 HA ASP 36 HA ASP 36 20.763 8.574 5.618 291 HB2 ASP 36 HB2 ASP 36 18.112 9.222 6.863 292 HB3 ASP 36 HB3 ASP 36 19.515 10.229 7.214 293 H CYS 37 H CYS 37 22.456 8.059 6.833 294 HA CYS 37 HA CYS 37 22.001 7.234 9.619 295 HB2 CYS 37 HB2 CYS 37 23.284 5.770 7.872 296 HB3 CYS 37 HB3 CYS 37 24.615 6.876 8.192 297 HG CYS 37 HG CYS 37 23.050 4.965 10.563 298 H LEU 38 H LEU 38 23.605 7.945 11.216 299 HA LEU 38 HA LEU 38 24.515 10.685 10.639 300 HB2 LEU 38 HB2 LEU 38 23.531 9.372 13.149 301 HB3 LEU 38 HB3 LEU 38 24.486 10.853 13.203 302 HG LEU 38 HG LEU 38 21.794 10.511 11.884 303 HD11 LEU 38 HD11 LEU 38 22.066 12.505 13.972 304 HD12 LEU 38 HD12 LEU 38 22.400 10.874 14.552 305 HD13 LEU 38 HD13 LEU 38 20.861 11.234 13.770 306 HD21 LEU 38 HD21 LEU 38 23.620 12.900 12.089 307 HD22 LEU 38 HD22 LEU 38 21.929 12.976 11.594 308 HD23 LEU 38 HD23 LEU 38 23.095 12.081 10.618 309 H ALA 39 H ALA 39 26.591 10.390 9.982 310 HA ALA 39 HA ALA 39 28.368 8.687 11.552 311 HB1 ALA 39 HB1 ALA 39 28.628 8.355 9.236 312 HB2 ALA 39 HB2 ALA 39 28.675 10.088 8.911 313 HB3 ALA 39 HB3 ALA 39 30.025 9.309 9.735 314 H VAL 40 H VAL 40 28.835 11.891 10.062 315 HA VAL 40 HA VAL 40 29.713 12.960 12.634 316 HB VAL 40 HB VAL 40 31.450 13.225 10.181 317 HG11 VAL 40 HG11 VAL 40 31.578 14.221 12.986 318 HG12 VAL 40 HG12 VAL 40 33.082 13.851 12.140 319 HG13 VAL 40 HG13 VAL 40 31.967 15.046 11.477 320 HG21 VAL 40 HG21 VAL 40 33.005 11.688 11.305 321 HG22 VAL 40 HG22 VAL 40 31.806 11.414 12.569 322 HG23 VAL 40 HG23 VAL 40 31.473 10.908 10.913 323 H CYS 41 H CYS 41 29.705 15.243 12.747 324 HA CYS 41 HA CYS 41 27.821 16.466 10.920 325 HB2 CYS 41 HB2 CYS 41 27.761 16.776 13.428 326 HB3 CYS 41 HB3 CYS 41 29.216 17.753 13.270 327 HG CYS 41 HG CYS 41 27.016 19.449 13.608 328 H VAL 42 H VAL 42 28.461 17.413 9.112 329 HA VAL 42 HA VAL 42 31.211 18.201 8.722 330 HB VAL 42 HB VAL 42 30.064 17.158 6.869 331 HG11 VAL 42 HG11 VAL 42 28.231 18.531 5.715 332 HG12 VAL 42 HG12 VAL 42 27.798 17.640 7.175 333 HG13 VAL 42 HG13 VAL 42 28.085 19.378 7.254 334 HG21 VAL 42 HG21 VAL 42 31.709 19.168 6.597 335 HG22 VAL 42 HG22 VAL 42 30.849 18.534 5.194 336 HG23 VAL 42 HG23 VAL 42 30.280 20.002 5.988 337 H ASN 43 H ASN 43 28.213 19.728 9.534 338 HA ASN 43 HA ASN 43 29.175 22.390 8.888 339 HB2 ASN 43 HB2 ASN 43 26.717 21.469 8.742 340 HB3 ASN 43 HB3 ASN 43 26.673 21.881 10.454 341 HD21 ASN 43 HD21 ASN 43 27.150 23.147 7.222 342 HD22 ASN 43 HD22 ASN 43 26.760 24.787 7.603 343 H VAL 44 H VAL 44 30.416 23.502 10.231 344 HA VAL 44 HA VAL 44 29.885 23.468 13.087 345 HB VAL 44 HB VAL 44 32.595 22.706 11.990 346 HG11 VAL 44 HG11 VAL 44 31.674 23.305 14.794 347 HG12 VAL 44 HG12 VAL 44 33.179 22.462 14.419 348 HG13 VAL 44 HG13 VAL 44 32.937 24.122 13.873 349 HG21 VAL 44 HG21 VAL 44 31.175 20.803 11.936 350 HG22 VAL 44 HG22 VAL 44 32.189 20.638 13.369 351 HG23 VAL 44 HG23 VAL 44 30.515 21.167 13.530 352 H LYS 45 H LYS 45 31.885 24.674 10.431 353 HA LYS 45 HA LYS 45 32.854 26.965 11.779 354 HB2 LYS 45 HB2 LYS 45 32.821 25.954 9.007 355 HB3 LYS 45 HB3 LYS 45 32.919 27.703 9.161 356 HG2 LYS 45 HG2 LYS 45 34.885 27.439 10.620 357 HG3 LYS 45 HG3 LYS 45 34.804 25.692 10.375 358 HD2 LYS 45 HD2 LYS 45 34.900 26.279 7.858 359 HD3 LYS 45 HD3 LYS 45 35.490 27.849 8.409 360 HE2 LYS 45 HE2 LYS 45 37.240 26.603 9.721 361 HE3 LYS 45 HE3 LYS 45 36.723 25.141 8.882 362 HZ1 LYS 45 HZ1 LYS 45 38.666 26.300 7.875 363 HZ2 LYS 45 HZ2 LYS 45 37.644 27.588 7.482 364 HZ3 LYS 45 HZ3 LYS 45 37.373 26.059 6.810 365 HA PRO 46 HA PRO 46 29.312 29.342 9.503 366 HB2 PRO 46 HB2 PRO 46 27.364 27.849 8.343 367 HB3 PRO 46 HB3 PRO 46 28.828 28.351 7.488 368 HG2 PRO 46 HG2 PRO 46 28.196 25.727 8.782 369 HG3 PRO 46 HG3 PRO 46 28.972 26.046 7.220 370 HD2 PRO 46 HD2 PRO 46 30.378 25.385 9.438 371 HD3 PRO 46 HD3 PRO 46 31.024 26.462 8.183 372 H ALA 47 H ALA 47 26.839 29.567 9.863 373 HA ALA 47 HA ALA 47 26.286 29.320 12.573 374 HB1 ALA 47 HB1 ALA 47 24.868 30.852 11.750 375 HB2 ALA 47 HB2 ALA 47 24.777 30.070 10.172 376 HB3 ALA 47 HB3 ALA 47 23.794 29.474 11.509 377 HA PRO 48 HA PRO 48 24.827 25.243 13.280 378 HB2 PRO 48 HB2 PRO 48 22.770 25.655 15.003 379 HB3 PRO 48 HB3 PRO 48 24.464 25.856 15.465 380 HG2 PRO 48 HG2 PRO 48 22.454 27.933 14.685 381 HG3 PRO 48 HG3 PRO 48 23.646 27.967 15.998 382 HD2 PRO 48 HD2 PRO 48 24.035 29.248 13.644 383 HD3 PRO 48 HD3 PRO 48 25.371 28.555 14.586 384 H GLU 49 H GLU 49 22.594 27.622 12.071 385 HA GLU 49 HA GLU 49 20.344 25.996 11.654 386 HB2 GLU 49 HB2 GLU 49 19.544 27.706 10.200 387 HB3 GLU 49 HB3 GLU 49 20.432 28.506 11.489 388 HG2 GLU 49 HG2 GLU 49 22.420 28.330 9.777 389 HG3 GLU 49 HG3 GLU 49 21.103 28.227 8.609 390 H LYS 50 H LYS 50 23.388 26.023 10.128 391 HA LYS 50 HA LYS 50 22.369 24.651 7.747 392 HB2 LYS 50 HB2 LYS 50 25.070 25.821 8.413 393 HB3 LYS 50 HB3 LYS 50 24.769 24.862 6.970 394 HG2 LYS 50 HG2 LYS 50 23.692 26.534 5.922 395 HG3 LYS 50 HG3 LYS 50 22.917 27.106 7.402 396 HD2 LYS 50 HD2 LYS 50 24.368 28.840 6.888 397 HD3 LYS 50 HD3 LYS 50 25.301 27.894 8.051 398 HE2 LYS 50 HE2 LYS 50 26.805 28.366 6.314 399 HE3 LYS 50 HE3 LYS 50 26.296 26.702 6.030 400 HZ1 LYS 50 HZ1 LYS 50 25.275 29.115 4.633 401 HZ2 LYS 50 HZ2 LYS 50 24.689 27.546 4.399 402 HZ3 LYS 50 HZ3 LYS 50 26.282 27.925 3.976 403 H ARG 51 H ARG 51 22.717 23.589 10.603 404 HA ARG 51 HA ARG 51 24.738 21.783 10.897 405 HB2 ARG 51 HB2 ARG 51 22.322 22.256 12.157 406 HB3 ARG 51 HB3 ARG 51 22.160 20.599 11.592 407 HG2 ARG 51 HG2 ARG 51 23.063 20.319 13.691 408 HG3 ARG 51 HG3 ARG 51 24.495 20.268 12.662 409 HD2 ARG 51 HD2 ARG 51 25.020 21.673 14.501 410 HD3 ARG 51 HD3 ARG 51 24.773 22.726 13.108 411 HE ARG 51 HE ARG 51 23.042 23.695 14.227 412 HH11 ARG 51 HH11 ARG 51 23.632 20.553 15.608 413 HH12 ARG 51 HH12 ARG 51 22.475 20.752 16.882 414 HH21 ARG 51 HH21 ARG 51 21.515 23.967 15.900 415 HH22 ARG 51 HH22 ARG 51 21.270 22.694 17.046 416 H GLU 52 H GLU 52 25.489 20.161 9.716 417 HA GLU 52 HA GLU 52 23.613 18.549 8.139 418 HB2 GLU 52 HB2 GLU 52 26.076 19.951 7.137 419 HB3 GLU 52 HB3 GLU 52 25.479 18.498 6.349 420 HG2 GLU 52 HG2 GLU 52 23.450 19.541 5.746 421 HG3 GLU 52 HG3 GLU 52 23.760 20.916 6.805 422 H PHE 53 H PHE 53 23.896 16.443 8.450 423 HA PHE 53 HA PHE 53 26.448 15.541 9.613 424 HB2 PHE 53 HB2 PHE 53 23.882 13.999 9.847 425 HB3 PHE 53 HB3 PHE 53 25.306 13.940 10.880 426 HD1 PHE 53 HD2 PHE 53 25.841 16.509 11.799 427 HD2 PHE 53 HD1 PHE 53 22.038 14.813 10.919 428 HE1 PHE 53 HE2 PHE 53 24.779 18.093 13.353 429 HE2 PHE 53 HE1 PHE 53 20.969 16.395 12.471 430 HZ PHE 53 HZ PHE 53 22.340 18.037 13.691 431 H TRP 54 H TRP 54 27.355 13.589 8.897 432 HA TRP 54 HA TRP 54 26.840 13.013 6.120 433 HB2 TRP 54 HB2 TRP 54 28.850 11.944 8.104 434 HB3 TRP 54 HB3 TRP 54 28.745 11.370 6.442 435 HD1 TRP 54 HD1 TRP 54 30.722 13.650 8.375 436 HE1 TRP 54 HE1 TRP 54 31.766 15.505 6.927 437 HE3 TRP 54 HE3 TRP 54 27.845 13.123 4.181 438 HZ2 TRP 54 HZ2 TRP 54 31.416 16.600 4.349 439 HZ3 TRP 54 HZ3 TRP 54 28.264 14.613 2.269 440 HH2 TRP 54 HH2 TRP 54 30.012 16.316 2.353 441 H GLY 55 H GLY 55 26.036 11.136 5.243 442 HA2 GLY 55 HA2 GLY 55 25.192 9.006 7.076 443 HA3 GLY 55 HA3 GLY 55 23.967 9.787 6.087 444 H TRP 56 H TRP 56 23.816 7.377 5.512 445 HA TRP 56 HA TRP 56 25.812 6.501 3.591 446 HB2 TRP 56 HB2 TRP 56 23.365 5.221 4.791 447 HB3 TRP 56 HB3 TRP 56 24.209 4.493 3.427 448 HD1 TRP 56 HD1 TRP 56 27.166 5.416 4.674 449 HE1 TRP 56 HE1 TRP 56 28.134 3.933 6.541 450 HE3 TRP 56 HE3 TRP 56 22.866 3.097 6.180 451 HZ2 TRP 56 HZ2 TRP 56 27.199 2.031 8.406 452 HZ3 TRP 56 HZ3 TRP 56 22.989 1.458 8.011 453 HH2 TRP 56 HH2 TRP 56 25.112 0.938 9.100 454 H TRP 57 H TRP 57 24.520 5.203 1.670 455 HA TRP 57 HA TRP 57 22.310 6.563 0.530 456 HB2 TRP 57 HB2 TRP 57 24.490 8.094 0.267 457 HB3 TRP 57 HB3 TRP 57 24.724 7.056 -1.137 458 HD1 TRP 57 HD1 TRP 57 21.374 8.510 0.159 459 HE1 TRP 57 HE1 TRP 57 20.320 9.889 -1.742 460 HE3 TRP 57 HE3 TRP 57 25.130 8.143 -3.290 461 HZ2 TRP 57 HZ2 TRP 57 20.991 10.712 -4.357 462 HZ3 TRP 57 HZ3 TRP 57 24.845 9.254 -5.467 463 HH2 TRP 57 HH2 TRP 57 22.818 10.511 -5.987 464 H MET 58 H MET 58 22.641 3.941 0.942 465 HA MET 58 HA MET 58 23.591 2.708 -1.523 466 HB2 MET 58 HB2 MET 58 24.246 1.550 0.455 467 HB3 MET 58 HB3 MET 58 22.609 1.581 1.096 468 HG2 MET 58 HG2 MET 58 21.892 0.078 -0.708 469 HG3 MET 58 HG3 MET 58 23.552 0.021 -1.298 470 HE1 MET 58 HE1 MET 58 21.127 -0.463 1.366 471 HE2 MET 58 HE2 MET 58 21.251 -2.221 1.441 472 HE3 MET 58 HE3 MET 58 21.982 -1.230 2.705 473 H GLU 59 H GLU 59 22.254 2.546 -3.190 474 HA GLU 59 HA GLU 59 19.364 2.376 -2.681 475 HB2 GLU 59 HB2 GLU 59 21.003 3.448 -4.940 476 HB3 GLU 59 HB3 GLU 59 19.378 2.864 -5.272 477 HG2 GLU 59 HG2 GLU 59 18.955 5.067 -4.881 478 HG3 GLU 59 HG3 GLU 59 18.742 4.412 -3.259 479 H LEU 60 H LEU 60 18.570 0.386 -2.728 480 HA LEU 60 HA LEU 60 19.660 -1.514 -4.699 481 HB2 LEU 60 HB2 LEU 60 18.985 -3.306 -3.113 482 HB3 LEU 60 HB3 LEU 60 20.286 -2.269 -2.532 483 HG LEU 60 HG LEU 60 17.615 -1.429 -1.670 484 HD11 LEU 60 HD11 LEU 60 17.927 -3.350 0.168 485 HD12 LEU 60 HD12 LEU 60 18.543 -4.201 -1.249 486 HD13 LEU 60 HD13 LEU 60 16.910 -3.536 -1.261 487 HD21 LEU 60 HD21 LEU 60 18.848 -0.491 -0.080 488 HD22 LEU 60 HD22 LEU 60 20.283 -1.114 -0.895 489 HD23 LEU 60 HD23 LEU 60 19.521 -2.051 0.392 490 H GLU 61 H GLU 61 18.133 -3.141 -5.472 491 HA GLU 61 HA GLU 61 15.321 -2.307 -5.289 492 HB2 GLU 61 HB2 GLU 61 16.546 -1.530 -7.419 493 HB3 GLU 61 HB3 GLU 61 16.535 -3.226 -7.884 494 HG2 GLU 61 HG2 GLU 61 13.973 -1.967 -7.063 495 HG3 GLU 61 HG3 GLU 61 14.639 -1.576 -8.647 496 H ALA 62 H ALA 62 14.299 -3.954 -4.367 497 HA ALA 62 HA ALA 62 15.215 -6.603 -4.278 498 HB1 ALA 62 HB1 ALA 62 13.342 -5.239 -2.926 499 HB2 ALA 62 HB2 ALA 62 12.308 -6.170 -4.010 500 HB3 ALA 62 HB3 ALA 62 13.438 -7.000 -2.940 501 H GLN 63 H GLN 63 15.332 -8.029 -5.872 502 HA GLN 63 HA GLN 63 13.682 -7.711 -8.245 503 HB2 GLN 63 HB2 GLN 63 16.281 -8.469 -7.910 504 HB3 GLN 63 HB3 GLN 63 15.489 -10.030 -8.085 505 HG2 GLN 63 HG2 GLN 63 14.356 -8.762 -10.136 506 HG3 GLN 63 HG3 GLN 63 15.867 -7.859 -10.052 507 HE21 GLN 63 HE21 GLN 63 14.407 -10.400 -11.476 508 HE22 GLN 63 HE22 GLN 63 15.788 -11.363 -11.867 509 H GLU 64 H GLU 64 13.389 -10.258 -9.159 510 HA GLU 64 HA GLU 64 11.035 -11.126 -8.020 511 HB2 GLU 64 HB2 GLU 64 12.953 -12.181 -9.955 512 HB3 GLU 64 HB3 GLU 64 12.108 -13.446 -9.072 513 HG2 GLU 64 HG2 GLU 64 10.010 -12.731 -9.837 514 HG3 GLU 64 HG3 GLU 64 10.648 -11.184 -10.391 515 H LYS 65 H LYS 65 14.160 -12.819 -7.695 516 HA LYS 65 HA LYS 65 13.457 -13.479 -4.928 517 HB2 LYS 65 HB2 LYS 65 13.375 -15.330 -7.074 518 HB3 LYS 65 HB3 LYS 65 14.788 -15.727 -6.106 519 HG2 LYS 65 HG2 LYS 65 12.363 -15.198 -4.550 520 HG3 LYS 65 HG3 LYS 65 12.268 -16.603 -5.615 521 HD2 LYS 65 HD2 LYS 65 14.072 -17.664 -4.564 522 HD3 LYS 65 HD3 LYS 65 14.621 -16.170 -3.801 523 HE2 LYS 65 HE2 LYS 65 13.623 -17.305 -2.043 524 HE3 LYS 65 HE3 LYS 65 12.337 -16.231 -2.590 525 HZ1 LYS 65 HZ1 LYS 65 11.134 -17.948 -3.440 526 HZ2 LYS 65 HZ2 LYS 65 11.906 -18.768 -2.178 527 HZ3 LYS 65 HZ3 LYS 65 12.488 -18.911 -3.760 528 H ARG 66 H ARG 66 15.251 -11.523 -5.801 529 HA ARG 66 HA ARG 66 17.693 -12.517 -4.584 530 HB2 ARG 66 HB2 ARG 66 17.623 -11.345 -7.368 531 HB3 ARG 66 HB3 ARG 66 19.091 -11.499 -6.411 532 HG2 ARG 66 HG2 ARG 66 19.252 -13.416 -7.601 533 HG3 ARG 66 HG3 ARG 66 18.269 -14.019 -6.265 534 HD2 ARG 66 HD2 ARG 66 16.984 -14.777 -7.970 535 HD3 ARG 66 HD3 ARG 66 16.317 -13.148 -7.863 536 HE ARG 66 HE ARG 66 18.444 -13.011 -9.624 537 HH11 ARG 66 HH11 ARG 66 15.389 -14.667 -9.418 538 HH12 ARG 66 HH12 ARG 66 15.165 -14.741 -11.135 539 HH21 ARG 66 HH21 ARG 66 18.161 -13.102 -11.886 540 HH22 ARG 66 HH22 ARG 66 16.743 -13.851 -12.537 541 H PHE 67 H PHE 67 19.330 -10.597 -4.462 542 HA PHE 67 HA PHE 67 17.981 -8.025 -4.179 543 HB2 PHE 67 HB2 PHE 67 18.768 -9.737 -1.953 544 HB3 PHE 67 HB3 PHE 67 19.509 -8.143 -1.867 545 HD1 PHE 67 HD1 PHE 67 16.218 -9.807 -2.350 546 HD2 PHE 67 HD2 PHE 67 18.320 -6.368 -0.981 547 HE1 PHE 67 HE1 PHE 67 14.122 -8.889 -1.446 548 HE2 PHE 67 HE2 PHE 67 16.228 -5.446 -0.074 549 HZ PHE 67 HZ PHE 67 14.125 -6.707 -0.305 550 H THR 68 H THR 68 19.223 -6.435 -4.916 551 HA THR 68 HA THR 68 22.102 -6.956 -5.239 552 HB THR 68 HB THR 68 20.899 -6.574 -7.348 553 HG1 THR 68 HG1 THR 68 22.554 -5.440 -8.076 554 HG21 THR 68 HG21 THR 68 19.935 -4.390 -7.854 555 HG22 THR 68 HG22 THR 68 20.301 -3.836 -6.220 556 HG23 THR 68 HG23 THR 68 19.120 -5.120 -6.471 557 H TYR 69 H TYR 69 23.513 -5.010 -5.127 558 HA TYR 69 HA TYR 69 22.537 -2.804 -3.517 559 HB2 TYR 69 HB2 TYR 69 24.703 -4.656 -2.501 560 HB3 TYR 69 HB3 TYR 69 24.261 -3.118 -1.767 561 HD1 TYR 69 HD1 TYR 69 21.803 -2.871 -0.992 562 HD2 TYR 69 HD2 TYR 69 23.646 -6.615 -1.821 563 HE1 TYR 69 HE1 TYR 69 20.095 -4.006 0.366 564 HE2 TYR 69 HE2 TYR 69 21.942 -7.760 -0.466 565 HH TYR 69 HH TYR 69 19.256 -5.972 1.002 566 H ARG 70 H ARG 70 24.066 -1.054 -3.353 567 HA ARG 70 HA ARG 70 26.411 -1.231 -5.090 568 HB2 ARG 70 HB2 ARG 70 24.083 0.633 -5.464 569 HB3 ARG 70 HB3 ARG 70 25.692 1.073 -6.021 570 HG2 ARG 70 HG2 ARG 70 24.847 -1.593 -6.859 571 HG3 ARG 70 HG3 ARG 70 23.829 -0.289 -7.473 572 HD2 ARG 70 HD2 ARG 70 26.829 -0.474 -7.737 573 HD3 ARG 70 HD3 ARG 70 25.657 -0.798 -9.014 574 HE ARG 70 HE ARG 70 25.099 1.747 -8.183 575 HH11 ARG 70 HH11 ARG 70 27.912 0.099 -9.404 576 HH12 ARG 70 HH12 ARG 70 28.578 1.514 -10.149 577 HH21 ARG 70 HH21 ARG 70 25.966 3.617 -9.160 578 HH22 ARG 70 HH22 ARG 70 27.471 3.515 -10.009 579 H TYR 71 H TYR 71 28.085 0.101 -4.510 580 HA TYR 71 HA TYR 71 27.901 1.283 -1.874 581 HB2 TYR 71 HB2 TYR 71 30.240 1.020 -3.774 582 HB3 TYR 71 HB3 TYR 71 30.343 1.626 -2.125 583 HD1 TYR 71 HD1 TYR 71 28.722 -0.209 -0.592 584 HD2 TYR 71 HD2 TYR 71 31.325 -1.021 -3.857 585 HE1 TYR 71 HE1 TYR 71 29.032 -2.504 0.235 586 HE2 TYR 71 HE2 TYR 71 31.642 -3.319 -3.041 587 HH TYR 71 HH TYR 71 30.123 -4.952 -1.507 588 H GLN 72 H GLN 72 26.924 3.220 -1.825 589 HA GLN 72 HA GLN 72 28.071 5.348 -3.487 590 HB2 GLN 72 HB2 GLN 72 25.264 4.440 -3.408 591 HB3 GLN 72 HB3 GLN 72 25.494 6.180 -3.302 592 HG2 GLN 72 HG2 GLN 72 25.381 5.995 -5.548 593 HG3 GLN 72 HG3 GLN 72 27.108 5.701 -5.353 594 HE21 GLN 72 HE21 GLN 72 27.904 3.934 -6.243 595 HE22 GLN 72 HE22 GLN 72 26.993 2.561 -6.761 596 H PHE 73 H PHE 73 28.112 7.392 -2.548 597 HA PHE 73 HA PHE 73 27.563 7.412 0.343 598 HB2 PHE 73 HB2 PHE 73 29.596 8.893 -1.321 599 HB3 PHE 73 HB3 PHE 73 29.221 9.352 0.336 600 HD1 PHE 73 HD2 PHE 73 30.067 6.266 -1.587 601 HD2 PHE 73 HD1 PHE 73 30.602 8.542 1.970 602 HE1 PHE 73 HE2 PHE 73 31.678 4.597 -0.766 603 HE2 PHE 73 HE1 PHE 73 32.215 6.877 2.796 604 HZ PHE 73 HZ PHE 73 32.753 4.901 1.429 605 H GLY 74 H GLY 74 26.768 9.381 1.298 606 HA2 GLY 74 HA2 GLY 74 25.693 11.426 -0.453 607 HA3 GLY 74 HA3 GLY 74 24.484 10.413 0.321 608 H LEU 75 H LEU 75 23.825 12.554 1.195 609 HA LEU 75 HA LEU 75 25.179 13.002 3.755 610 HB2 LEU 75 HB2 LEU 75 26.049 14.773 2.484 611 HB3 LEU 75 HB3 LEU 75 24.505 15.068 1.687 612 HG LEU 75 HG LEU 75 24.637 15.493 4.623 613 HD11 LEU 75 HD11 LEU 75 26.733 16.489 3.592 614 HD12 LEU 75 HD12 LEU 75 25.690 17.588 4.493 615 HD13 LEU 75 HD13 LEU 75 25.657 17.590 2.730 616 HD21 LEU 75 HD21 LEU 75 23.461 17.466 2.788 617 HD22 LEU 75 HD22 LEU 75 22.809 16.754 4.264 618 HD23 LEU 75 HD23 LEU 75 22.726 15.863 2.743 619 H PHE 76 H PHE 76 23.845 13.645 5.439 620 HA PHE 76 HA PHE 76 20.984 13.271 4.928 621 HB2 PHE 76 HB2 PHE 76 21.856 11.792 6.612 622 HB3 PHE 76 HB3 PHE 76 22.613 13.131 7.469 623 HD1 PHE 76 HD1 PHE 76 19.177 12.675 6.097 624 HD2 PHE 76 HD2 PHE 76 21.609 13.340 9.526 625 HE1 PHE 76 HE1 PHE 76 17.156 12.929 7.477 626 HE2 PHE 76 HE2 PHE 76 19.592 13.593 10.912 627 HZ PHE 76 HZ PHE 76 17.362 13.387 9.888 628 H ASP 77 H ASP 77 19.919 15.100 4.554 629 HA ASP 77 HA ASP 77 20.762 17.573 5.859 630 HB2 ASP 77 HB2 ASP 77 20.055 17.191 3.317 631 HB3 ASP 77 HB3 ASP 77 18.453 17.505 3.978 632 H LYS 78 H LYS 78 18.663 19.053 6.264 633 HA LYS 78 HA LYS 78 17.443 17.992 8.573 634 HB2 LYS 78 HB2 LYS 78 16.090 20.048 8.562 635 HB3 LYS 78 HB3 LYS 78 17.795 20.386 8.294 636 HG2 LYS 78 HG2 LYS 78 17.328 20.527 5.861 637 HG3 LYS 78 HG3 LYS 78 15.611 20.339 6.222 638 HD2 LYS 78 HD2 LYS 78 17.384 22.549 7.265 639 HD3 LYS 78 HD3 LYS 78 16.252 22.698 5.918 640 HE2 LYS 78 HE2 LYS 78 14.420 22.055 7.480 641 HE3 LYS 78 HE3 LYS 78 15.588 22.101 8.799 642 HZ1 LYS 78 HZ1 LYS 78 14.572 24.339 7.163 643 HZ2 LYS 78 HZ2 LYS 78 16.031 24.472 8.009 644 HZ3 LYS 78 HZ3 LYS 78 14.590 24.182 8.847 645 H GLU 79 H GLU 79 16.543 17.966 5.227 646 HA GLU 79 HA GLU 79 13.854 16.998 5.892 647 HB2 GLU 79 HB2 GLU 79 15.020 17.858 3.238 648 HB3 GLU 79 HB3 GLU 79 13.365 17.320 3.490 649 HG2 GLU 79 HG2 GLU 79 14.677 19.816 4.516 650 HG3 GLU 79 HG3 GLU 79 13.308 19.674 3.414 651 H GLY 80 H GLY 80 16.912 15.857 5.146 652 HA2 GLY 80 HA2 GLY 80 17.679 13.720 4.773 653 HA3 GLY 80 HA3 GLY 80 16.027 13.158 4.982 654 H ASN 81 H ASN 81 16.566 15.585 2.607 655 HA ASN 81 HA ASN 81 15.756 13.767 0.519 656 HB2 ASN 81 HB2 ASN 81 16.305 16.727 0.624 657 HB3 ASN 81 HB3 ASN 81 16.019 15.899 -0.904 658 HD21 ASN 81 HD21 ASN 81 14.484 17.950 0.620 659 HD22 ASN 81 HD22 ASN 81 12.890 17.296 0.757 660 H TRP 82 H TRP 82 16.929 13.256 -1.345 661 HA TRP 82 HA TRP 82 19.671 12.747 -0.971 662 HB2 TRP 82 HB2 TRP 82 19.663 12.053 -3.340 663 HB3 TRP 82 HB3 TRP 82 18.298 11.380 -2.452 664 HD1 TRP 82 HD1 TRP 82 15.853 12.372 -3.026 665 HE1 TRP 82 HE1 TRP 82 14.958 13.557 -5.129 666 HE3 TRP 82 HE3 TRP 82 20.303 13.637 -5.202 667 HZ2 TRP 82 HZ2 TRP 82 16.000 14.855 -7.408 668 HZ3 TRP 82 HZ3 TRP 82 20.267 14.849 -7.343 669 HH2 TRP 82 HH2 TRP 82 18.159 15.444 -8.422 670 H THR 83 H THR 83 21.375 14.029 -1.179 671 HA THR 83 HA THR 83 21.302 16.231 -3.108 672 HB THR 83 HB THR 83 22.339 16.680 -0.313 673 HG1 THR 83 HG1 THR 83 19.776 17.325 -1.387 674 HG21 THR 83 HG21 THR 83 21.457 19.046 -1.560 675 HG22 THR 83 HG22 THR 83 22.386 18.161 -2.769 676 HG23 THR 83 HG23 THR 83 23.116 18.562 -1.215 677 H VAL 84 H VAL 84 22.911 15.673 -4.437 678 HA VAL 84 HA VAL 84 25.144 14.118 -3.765 679 HB VAL 84 HB VAL 84 26.139 15.033 -5.899 680 HG11 VAL 84 HG11 VAL 84 23.349 13.893 -5.970 681 HG12 VAL 84 HG12 VAL 84 24.453 13.937 -7.345 682 HG13 VAL 84 HG13 VAL 84 24.862 12.989 -5.915 683 HG21 VAL 84 HG21 VAL 84 24.288 17.075 -5.470 684 HG22 VAL 84 HG22 VAL 84 25.306 16.842 -6.892 685 HG23 VAL 84 HG23 VAL 84 23.673 16.177 -6.858 686 H VAL 85 H VAL 85 26.729 14.635 -2.418 687 HA VAL 85 HA VAL 85 28.053 17.215 -2.680 688 HB VAL 85 HB VAL 85 26.414 17.661 -0.941 689 HG11 VAL 85 HG11 VAL 85 26.015 15.374 -0.204 690 HG12 VAL 85 HG12 VAL 85 27.629 15.310 0.507 691 HG13 VAL 85 HG13 VAL 85 26.418 16.411 1.164 692 HG21 VAL 85 HG21 VAL 85 29.232 17.339 0.079 693 HG22 VAL 85 HG22 VAL 85 28.530 18.763 -0.689 694 HG23 VAL 85 HG23 VAL 85 27.976 18.259 0.908 695 HA PRO 86 HA PRO 86 31.539 14.532 -2.217 696 HB2 PRO 86 HB2 PRO 86 33.436 16.461 -1.993 697 HB3 PRO 86 HB3 PRO 86 32.669 16.042 -3.529 698 HG2 PRO 86 HG2 PRO 86 32.067 18.308 -1.668 699 HG3 PRO 86 HG3 PRO 86 32.178 18.313 -3.438 700 HD2 PRO 86 HD2 PRO 86 29.810 18.247 -2.127 701 HD3 PRO 86 HD3 PRO 86 30.053 17.459 -3.699 702 H ILE 87 H ILE 87 32.794 13.707 -0.584 703 HA ILE 87 HA ILE 87 32.147 14.560 2.096 704 HB ILE 87 HB ILE 87 34.012 12.363 1.191 705 HG12 ILE 87 HG12 ILE 87 31.687 12.041 0.415 706 HG13 ILE 87 HG13 ILE 87 32.153 10.843 1.618 707 HG21 ILE 87 HG21 ILE 87 33.068 13.305 3.843 708 HG22 ILE 87 HG22 ILE 87 33.239 11.567 3.597 709 HG23 ILE 87 HG23 ILE 87 34.627 12.630 3.369 710 HD11 ILE 87 HD11 ILE 87 31.002 13.017 3.000 711 HD12 ILE 87 HD12 ILE 87 29.949 12.627 1.639 712 HD13 ILE 87 HD13 ILE 87 30.377 11.379 2.809 713 H ASN 88 H ASN 88 33.225 16.104 3.114 714 HA ASN 88 HA ASN 88 35.899 16.845 2.244 715 HB2 ASN 88 HB2 ASN 88 33.908 18.437 2.882 716 HB3 ASN 88 HB3 ASN 88 34.481 18.171 4.526 717 HD21 ASN 88 HD21 ASN 88 34.573 20.657 3.810 718 HD22 ASN 88 HD22 ASN 88 36.167 21.177 3.392 719 H GLU 89 H GLU 89 37.695 16.992 3.657 720 HA GLU 89 HA GLU 89 39.121 16.254 5.268 721 HB2 GLU 89 HB2 GLU 89 36.712 15.698 6.991 722 HB3 GLU 89 HB3 GLU 89 38.347 16.088 7.507 723 HG2 GLU 89 HG2 GLU 89 36.294 17.908 6.297 724 HG3 GLU 89 HG3 GLU 89 37.070 18.022 7.876 725 H THR 90 H THR 90 40.045 14.422 4.585 726 HA THR 90 HA THR 90 38.800 12.019 3.976 727 HB THR 90 HB THR 90 41.066 12.461 3.246 728 HG1 THR 90 HG1 THR 90 41.891 10.414 3.669 729 HG21 THR 90 HG21 THR 90 41.744 13.669 5.348 730 HG22 THR 90 HG22 THR 90 42.947 12.546 4.713 731 HG23 THR 90 HG23 THR 90 41.960 12.090 6.102 732 H GLU 91 H GLU 91 39.789 13.299 7.056 733 HA GLU 91 HA GLU 91 39.968 11.005 8.599 734 HB2 GLU 91 HB2 GLU 91 39.124 12.503 10.483 735 HB3 GLU 91 HB3 GLU 91 40.567 13.035 9.631 736 HG2 GLU 91 HG2 GLU 91 39.419 14.723 8.497 737 HG3 GLU 91 HG3 GLU 91 37.845 14.017 8.858 738 H VAL 92 H VAL 92 37.120 12.732 7.474 739 HA VAL 92 HA VAL 92 35.284 11.157 9.031 740 HB VAL 92 HB VAL 92 34.740 12.984 6.687 741 HG11 VAL 92 HG11 VAL 92 32.552 12.783 8.483 742 HG12 VAL 92 HG12 VAL 92 32.632 12.297 6.788 743 HG13 VAL 92 HG13 VAL 92 33.060 11.149 8.057 744 HG21 VAL 92 HG21 VAL 92 34.834 13.461 9.652 745 HG22 VAL 92 HG22 VAL 92 35.694 14.319 8.375 746 HG23 VAL 92 HG23 VAL 92 33.952 14.523 8.555 747 H VAL 93 H VAL 93 36.217 11.315 5.606 748 HA VAL 93 HA VAL 93 34.507 9.429 4.549 749 HB VAL 93 HB VAL 93 36.617 10.853 3.565 750 HG11 VAL 93 HG11 VAL 93 38.247 9.337 2.656 751 HG12 VAL 93 HG12 VAL 93 38.183 9.117 4.405 752 HG13 VAL 93 HG13 VAL 93 37.399 7.950 3.339 753 HG21 VAL 93 HG21 VAL 93 34.464 9.700 2.539 754 HG22 VAL 93 HG22 VAL 93 35.790 10.262 1.521 755 HG23 VAL 93 HG23 VAL 93 35.665 8.554 1.942 756 H GLU 94 H GLU 94 37.409 8.947 6.452 757 HA GLU 94 HA GLU 94 37.763 6.196 5.937 758 HB2 GLU 94 HB2 GLU 94 38.594 7.980 8.215 759 HB3 GLU 94 HB3 GLU 94 38.971 6.264 8.201 760 HG2 GLU 94 HG2 GLU 94 39.702 7.922 5.840 761 HG3 GLU 94 HG3 GLU 94 40.679 8.026 7.304 762 H ARG 95 H ARG 95 35.814 7.953 8.279 763 HA ARG 95 HA ARG 95 35.069 5.690 9.826 764 HB2 ARG 95 HB2 ARG 95 34.879 7.884 10.791 765 HB3 ARG 95 HB3 ARG 95 33.807 8.413 9.502 766 HG2 ARG 95 HG2 ARG 95 32.528 8.010 11.492 767 HG3 ARG 95 HG3 ARG 95 32.120 6.792 10.282 768 HD2 ARG 95 HD2 ARG 95 33.719 5.244 11.394 769 HD3 ARG 95 HD3 ARG 95 33.947 6.455 12.656 770 HE ARG 95 HE ARG 95 31.242 6.047 12.546 771 HH11 ARG 95 HH11 ARG 95 34.042 4.043 13.059 772 HH12 ARG 95 HH12 ARG 95 33.209 2.914 14.076 773 HH21 ARG 95 HH21 ARG 95 30.134 4.568 13.884 774 HH22 ARG 95 HH22 ARG 95 30.986 3.214 14.544 775 H LEU 96 H LEU 96 33.469 7.459 7.194 776 HA LEU 96 HA LEU 96 31.114 5.926 7.142 777 HB2 LEU 96 HB2 LEU 96 32.505 7.735 5.233 778 HB3 LEU 96 HB3 LEU 96 31.200 6.719 4.625 779 HG LEU 96 HG LEU 96 29.861 7.767 6.619 780 HD11 LEU 96 HD11 LEU 96 32.149 9.672 6.229 781 HD12 LEU 96 HD12 LEU 96 31.532 8.986 7.732 782 HD13 LEU 96 HD13 LEU 96 30.585 10.190 6.858 783 HD21 LEU 96 HD21 LEU 96 28.760 8.734 4.950 784 HD22 LEU 96 HD22 LEU 96 30.088 8.276 3.883 785 HD23 LEU 96 HD23 LEU 96 30.082 9.863 4.655 786 H GLU 97 H GLU 97 34.257 5.463 5.650 787 HA GLU 97 HA GLU 97 33.573 3.448 3.823 788 HB2 GLU 97 HB2 GLU 97 36.046 4.467 5.054 789 HB3 GLU 97 HB3 GLU 97 36.123 2.790 4.533 790 HG2 GLU 97 HG2 GLU 97 35.474 3.432 2.286 791 HG3 GLU 97 HG3 GLU 97 35.325 5.113 2.794 792 H TYR 98 H TYR 98 34.606 3.263 7.208 793 HA TYR 98 HA TYR 98 34.580 0.414 7.309 794 HB2 TYR 98 HB2 TYR 98 35.951 1.597 8.883 795 HB3 TYR 98 HB3 TYR 98 34.575 2.522 9.474 796 HD1 TYR 98 HD2 TYR 98 32.871 1.438 10.893 797 HD2 TYR 98 HD1 TYR 98 36.389 -0.621 9.675 798 HE1 TYR 98 HE2 TYR 98 32.483 -0.248 12.642 799 HE2 TYR 98 HE1 TYR 98 36.011 -2.313 11.419 800 HH TYR 98 HH TYR 98 34.716 -2.978 13.089 801 H THR 99 H THR 99 32.274 2.945 8.168 802 HA THR 99 HA THR 99 30.367 1.339 9.450 803 HB THR 99 HB THR 99 28.762 3.120 9.010 804 HG1 THR 99 HG1 THR 99 29.484 4.913 7.686 805 HG21 THR 99 HG21 THR 99 30.883 4.969 9.479 806 HG22 THR 99 HG22 THR 99 31.273 3.448 10.283 807 HG23 THR 99 HG23 THR 99 29.754 4.269 10.638 808 H LEU 100 H LEU 100 30.657 2.300 6.041 809 HA LEU 100 HA LEU 100 28.329 1.033 5.122 810 HB2 LEU 100 HB2 LEU 100 29.023 1.586 3.026 811 HB3 LEU 100 HB3 LEU 100 30.013 2.692 3.977 812 HG LEU 100 HG LEU 100 31.752 0.699 3.811 813 HD11 LEU 100 HD11 LEU 100 30.851 0.340 1.076 814 HD12 LEU 100 HD12 LEU 100 29.713 -0.315 2.253 815 HD13 LEU 100 HD13 LEU 100 31.393 -0.853 2.257 816 HD21 LEU 100 HD21 LEU 100 32.901 2.072 2.441 817 HD22 LEU 100 HD22 LEU 100 31.563 3.175 2.766 818 HD23 LEU 100 HD23 LEU 100 31.573 2.211 1.288 819 H ARG 101 H ARG 101 31.573 -0.169 5.694 820 HA ARG 101 HA ARG 101 31.239 -2.654 4.356 821 HB2 ARG 101 HB2 ARG 101 33.436 -1.564 4.979 822 HB3 ARG 101 HB3 ARG 101 33.133 -2.077 6.633 823 HG2 ARG 101 HG2 ARG 101 33.059 -4.096 4.442 824 HG3 ARG 101 HG3 ARG 101 34.613 -3.520 5.049 825 HD2 ARG 101 HD2 ARG 101 33.626 -4.047 7.381 826 HD3 ARG 101 HD3 ARG 101 32.460 -5.023 6.489 827 HE ARG 101 HE ARG 101 34.113 -6.558 6.054 828 HH11 ARG 101 HH11 ARG 101 35.529 -3.639 7.314 829 HH12 ARG 101 HH12 ARG 101 37.103 -4.335 7.518 830 HH21 ARG 101 HH21 ARG 101 36.179 -7.487 6.318 831 HH22 ARG 101 HH22 ARG 101 37.471 -6.524 6.950 832 H GLU 102 H GLU 102 31.060 -1.714 7.783 833 HA GLU 102 HA GLU 102 30.391 -4.278 8.752 834 HB2 GLU 102 HB2 GLU 102 30.262 -1.501 9.827 835 HB3 GLU 102 HB3 GLU 102 29.356 -2.753 10.665 836 HG2 GLU 102 HG2 GLU 102 32.300 -2.892 10.062 837 HG3 GLU 102 HG3 GLU 102 31.612 -2.357 11.594 838 H PHE 103 H PHE 103 28.503 -1.706 7.360 839 HA PHE 103 HA PHE 103 25.957 -2.504 8.270 840 HB2 PHE 103 HB2 PHE 103 26.509 -0.293 7.221 841 HB3 PHE 103 HB3 PHE 103 26.595 -1.110 5.664 842 HD1 PHE 103 HD1 PHE 103 24.173 -1.615 8.433 843 HD2 PHE 103 HD2 PHE 103 24.816 -0.231 4.460 844 HE1 PHE 103 HE1 PHE 103 21.748 -1.318 8.148 845 HE2 PHE 103 HE2 PHE 103 22.392 0.069 4.169 846 HZ PHE 103 HZ PHE 103 20.854 -0.474 6.014 847 H HIS 104 H HIS 104 27.931 -3.505 5.546 848 HA HIS 104 HA HIS 104 25.906 -4.988 4.211 849 HB2 HIS 104 HB2 HIS 104 27.588 -4.623 2.725 850 HB3 HIS 104 HB3 HIS 104 28.833 -4.643 3.970 851 HD1 HIS 104 HD1 HIS 104 26.482 -7.313 2.593 852 HD2 HIS 104 HD2 HIS 104 30.496 -6.700 3.471 853 HE1 HIS 104 HE1 HIS 104 27.633 -9.475 2.023 854 H GLU 105 H GLU 105 28.330 -5.785 6.641 855 HA GLU 105 HA GLU 105 28.139 -8.560 6.598 856 HB2 GLU 105 HB2 GLU 105 29.205 -6.544 8.365 857 HB3 GLU 105 HB3 GLU 105 28.450 -7.830 9.296 858 HG2 GLU 105 HG2 GLU 105 30.565 -8.211 7.189 859 HG3 GLU 105 HG3 GLU 105 30.834 -8.225 8.931 860 H LYS 106 H LYS 106 26.260 -6.213 8.493 861 HA LYS 106 HA LYS 106 24.616 -8.194 9.721 862 HB2 LYS 106 HB2 LYS 106 23.644 -6.464 10.860 863 HB3 LYS 106 HB3 LYS 106 25.140 -5.676 10.376 864 HG2 LYS 106 HG2 LYS 106 23.843 -4.857 8.335 865 HG3 LYS 106 HG3 LYS 106 22.395 -5.352 9.217 866 HD2 LYS 106 HD2 LYS 106 24.475 -3.393 10.191 867 HD3 LYS 106 HD3 LYS 106 22.882 -2.977 9.555 868 HE2 LYS 106 HE2 LYS 106 22.406 -2.953 11.783 869 HE3 LYS 106 HE3 LYS 106 22.096 -4.656 11.445 870 HZ1 LYS 106 HZ1 LYS 106 23.660 -5.207 12.889 871 HZ2 LYS 106 HZ2 LYS 106 23.914 -3.575 13.256 872 HZ3 LYS 106 HZ3 LYS 106 24.822 -4.319 12.038 873 H LEU 107 H LEU 107 24.404 -6.261 6.811 874 HA LEU 107 HA LEU 107 21.685 -6.587 6.237 875 HB2 LEU 107 HB2 LEU 107 23.723 -5.274 5.067 876 HB3 LEU 107 HB3 LEU 107 23.567 -6.638 3.963 877 HG LEU 107 HG LEU 107 22.302 -4.832 3.069 878 HD11 LEU 107 HD11 LEU 107 20.403 -6.753 4.407 879 HD12 LEU 107 HD12 LEU 107 21.281 -7.056 2.908 880 HD13 LEU 107 HD13 LEU 107 20.071 -5.776 2.977 881 HD21 LEU 107 HD21 LEU 107 21.484 -3.253 4.393 882 HD22 LEU 107 HD22 LEU 107 21.786 -4.249 5.817 883 HD23 LEU 107 HD23 LEU 107 20.254 -4.385 4.953 884 H ARG 108 H ARG 108 24.443 -8.690 5.675 885 HA ARG 108 HA ARG 108 23.264 -10.515 3.916 886 HB2 ARG 108 HB2 ARG 108 25.666 -10.484 4.390 887 HB3 ARG 108 HB3 ARG 108 25.358 -11.011 6.039 888 HG2 ARG 108 HG2 ARG 108 24.993 -13.161 5.434 889 HG3 ARG 108 HG3 ARG 108 24.298 -12.720 3.873 890 HD2 ARG 108 HD2 ARG 108 26.550 -12.147 3.060 891 HD3 ARG 108 HD3 ARG 108 27.222 -12.653 4.609 892 HE ARG 108 HE ARG 108 25.711 -14.760 3.534 893 HH11 ARG 108 HH11 ARG 108 28.671 -13.019 2.962 894 HH12 ARG 108 HH12 ARG 108 29.468 -14.361 2.210 895 HH21 ARG 108 HH21 ARG 108 26.750 -16.535 2.547 896 HH22 ARG 108 HH22 ARG 108 28.374 -16.360 1.974 897 H ASP 109 H ASP 109 23.439 -10.568 7.468 898 HA ASP 109 HA ASP 109 22.118 -12.973 7.906 899 HB2 ASP 109 HB2 ASP 109 23.301 -11.453 9.598 900 HB3 ASP 109 HB3 ASP 109 21.781 -10.568 9.690 901 H LEU 110 H LEU 110 20.783 -9.710 7.537 902 HA LEU 110 HA LEU 110 18.108 -10.313 8.058 903 HB2 LEU 110 HB2 LEU 110 18.821 -8.041 7.950 904 HB3 LEU 110 HB3 LEU 110 19.366 -8.232 6.285 905 HG LEU 110 HG LEU 110 16.807 -8.753 5.877 906 HD11 LEU 110 HD11 LEU 110 16.876 -7.822 8.601 907 HD12 LEU 110 HD12 LEU 110 15.523 -8.454 7.662 908 HD13 LEU 110 HD13 LEU 110 15.921 -6.737 7.589 909 HD21 LEU 110 HD21 LEU 110 17.114 -5.883 6.237 910 HD22 LEU 110 HD22 LEU 110 16.875 -6.822 4.762 911 HD23 LEU 110 HD23 LEU 110 18.497 -6.623 5.428 912 H LEU 111 H LEU 111 19.822 -10.199 4.939 913 HA LEU 111 HA LEU 111 17.634 -10.993 3.360 914 HB2 LEU 111 HB2 LEU 111 20.530 -10.695 3.023 915 HB3 LEU 111 HB3 LEU 111 19.798 -11.908 1.974 916 HG LEU 111 HG LEU 111 18.436 -10.300 0.905 917 HD11 LEU 111 HD11 LEU 111 17.705 -9.060 2.855 918 HD12 LEU 111 HD12 LEU 111 18.321 -7.956 1.625 919 HD13 LEU 111 HD13 LEU 111 19.310 -8.349 3.031 920 HD21 LEU 111 HD21 LEU 111 20.030 -8.799 -0.051 921 HD22 LEU 111 HD22 LEU 111 20.856 -10.318 0.294 922 HD23 LEU 111 HD23 LEU 111 21.081 -8.930 1.360 923 H ILE 112 H ILE 112 20.028 -12.810 5.160 924 HA ILE 112 HA ILE 112 19.618 -15.338 4.023 925 HB ILE 112 HB ILE 112 20.504 -14.517 6.782 926 HG12 ILE 112 HG12 ILE 112 22.160 -15.965 4.750 927 HG13 ILE 112 HG13 ILE 112 21.878 -14.238 4.555 928 HG21 ILE 112 HG21 ILE 112 21.239 -16.908 7.027 929 HG22 ILE 112 HG22 ILE 112 19.498 -16.644 7.106 930 HG23 ILE 112 HG23 ILE 112 20.226 -17.285 5.634 931 HD11 ILE 112 HD11 ILE 112 22.762 -15.078 7.227 932 HD12 ILE 112 HD12 ILE 112 23.935 -15.287 5.927 933 HD13 ILE 112 HD13 ILE 112 23.246 -13.695 6.246 934 H SER 113 H SER 113 17.873 -13.602 6.532 935 HA SER 113 HA SER 113 16.259 -15.823 7.323 936 HB2 SER 113 HB2 SER 113 16.730 -13.833 8.772 937 HB3 SER 113 HB3 SER 113 15.688 -12.877 7.718 938 HG SER 113 HG SER 113 14.011 -13.709 8.666 939 H MET 114 H MET 114 16.123 -13.486 4.789 940 HA MET 114 HA MET 114 13.312 -14.029 4.232 941 HB2 MET 114 HB2 MET 114 15.312 -12.152 2.970 942 HB3 MET 114 HB3 MET 114 13.673 -12.366 2.369 943 HG2 MET 114 HG2 MET 114 13.067 -11.821 4.882 944 HG3 MET 114 HG3 MET 114 14.636 -11.019 4.827 945 HE1 MET 114 HE1 MET 114 14.568 -8.502 4.546 946 HE2 MET 114 HE2 MET 114 15.269 -9.173 3.074 947 HE3 MET 114 HE3 MET 114 14.099 -7.857 2.973 948 H GLU 115 H GLU 115 16.176 -15.503 3.602 949 HA GLU 115 HA GLU 115 16.827 -17.137 2.158 950 HB2 GLU 115 HB2 GLU 115 14.026 -17.099 1.042 951 HB3 GLU 115 HB3 GLU 115 15.171 -18.433 1.041 952 HG2 GLU 115 HG2 GLU 115 15.020 -18.348 3.581 953 HG3 GLU 115 HG3 GLU 115 13.610 -17.317 3.343 954 H LEU 116 H LEU 116 17.520 -14.643 1.407 955 HA LEU 116 HA LEU 116 16.974 -14.544 -1.485 956 HB2 LEU 116 HB2 LEU 116 17.486 -12.451 0.562 957 HB3 LEU 116 HB3 LEU 116 18.058 -12.162 -1.080 958 HG LEU 116 HG LEU 116 15.873 -11.126 -0.642 959 HD11 LEU 116 HD11 LEU 116 15.189 -11.489 -2.751 960 HD12 LEU 116 HD12 LEU 116 15.128 -13.238 -2.543 961 HD13 LEU 116 HD13 LEU 116 16.668 -12.442 -2.867 962 HD21 LEU 116 HD21 LEU 116 14.011 -12.258 0.043 963 HD22 LEU 116 HD22 LEU 116 15.253 -13.182 0.888 964 HD23 LEU 116 HD23 LEU 116 14.565 -13.797 -0.616 965 H ALA 117 H ALA 117 18.784 -13.820 -2.852 966 HA ALA 117 HA ALA 117 21.277 -15.071 -1.959 967 HB1 ALA 117 HB1 ALA 117 21.796 -14.681 -4.508 968 HB2 ALA 117 HB2 ALA 117 20.779 -16.022 -3.981 969 HB3 ALA 117 HB3 ALA 117 20.041 -14.552 -4.616 970 H LEU 118 H LEU 118 23.330 -14.052 -2.523 971 HA LEU 118 HA LEU 118 23.155 -11.111 -2.527 972 HB2 LEU 118 HB2 LEU 118 24.841 -12.973 -0.912 973 HB3 LEU 118 HB3 LEU 118 25.449 -11.365 -1.302 974 HG LEU 118 HG LEU 118 24.470 -11.387 0.912 975 HD11 LEU 118 HD11 LEU 118 24.192 -9.428 -0.716 976 HD12 LEU 118 HD12 LEU 118 23.176 -9.457 0.725 977 HD13 LEU 118 HD13 LEU 118 22.509 -9.941 -0.834 978 HD21 LEU 118 HD21 LEU 118 22.276 -12.032 1.396 979 HD22 LEU 118 HD22 LEU 118 22.865 -13.288 0.307 980 HD23 LEU 118 HD23 LEU 118 21.800 -12.020 -0.302 981 H GLU 119 H GLU 119 24.406 -10.024 -3.947 982 HA GLU 119 HA GLU 119 26.680 -11.272 -5.217 983 HB2 GLU 119 HB2 GLU 119 24.061 -11.035 -6.560 984 HB3 GLU 119 HB3 GLU 119 25.439 -10.472 -7.494 985 HG2 GLU 119 HG2 GLU 119 26.448 -12.788 -6.704 986 HG3 GLU 119 HG3 GLU 119 24.739 -13.207 -6.600 987 HA PRO 120 HA PRO 120 28.102 -7.137 -5.562 988 HB2 PRO 120 HB2 PRO 120 29.531 -7.203 -7.870 989 HB3 PRO 120 HB3 PRO 120 30.074 -7.986 -6.381 990 HG2 PRO 120 HG2 PRO 120 28.720 -9.185 -8.767 991 HG3 PRO 120 HG3 PRO 120 30.088 -9.808 -7.826 992 HD2 PRO 120 HD2 PRO 120 27.558 -10.712 -7.492 993 HD3 PRO 120 HD3 PRO 120 28.727 -10.634 -6.159 994 H SER 121 H SER 121 28.200 -5.212 -7.045 995 HA SER 121 HA SER 121 25.632 -4.744 -8.166 996 HB2 SER 121 HB2 SER 121 26.373 -2.712 -7.510 997 HB3 SER 121 HB3 SER 121 28.066 -3.187 -7.644 998 HG SER 121 HG SER 121 28.011 -2.731 -9.816 999 H ASP 122 H ASP 122 24.956 -4.648 -10.256 1000 HA ASP 122 HA ASP 122 26.223 -6.231 -12.184 1001 HB2 ASP 122 HB2 ASP 122 24.061 -4.138 -12.435 1002 HB3 ASP 122 HB3 ASP 122 24.586 -5.144 -13.783 1003 H ASP 123 H ASP 123 26.709 -2.949 -11.305 1004 HA ASP 123 HA ASP 123 28.296 -2.486 -13.742 1005 HB2 ASP 123 HB2 ASP 123 26.386 -0.894 -13.166 1006 HB3 ASP 123 HB3 ASP 123 27.375 -0.361 -11.810 1007 H PHE 124 H PHE 124 29.093 -3.977 -11.304 1008 HA PHE 124 HA PHE 124 31.411 -2.317 -10.559 1009 HB2 PHE 124 HB2 PHE 124 29.693 -2.755 -8.719 1010 HB3 PHE 124 HB3 PHE 124 30.207 -4.437 -8.783 1011 HD1 PHE 124 HD2 PHE 124 31.949 -1.133 -8.776 1012 HD2 PHE 124 HD1 PHE 124 31.586 -5.007 -7.053 1013 HE1 PHE 124 HE2 PHE 124 33.801 -0.619 -7.240 1014 HE2 PHE 124 HE1 PHE 124 33.437 -4.500 -5.513 1015 HZ PHE 124 HZ PHE 124 34.548 -2.304 -5.606 1016 H ASN 125 H ASN 125 33.316 -3.133 -11.115 1017 HA ASN 125 HA ASN 125 33.447 -5.908 -12.024 1018 HB2 ASN 125 HB2 ASN 125 35.072 -3.449 -12.526 1019 HB3 ASN 125 HB3 ASN 125 35.838 -5.023 -12.722 1020 HD21 ASN 125 HD21 ASN 125 34.931 -6.498 -14.248 1021 HD22 ASN 125 HD22 ASN 125 34.042 -5.904 -15.606 1022 H ASP 126 H ASP 126 35.756 -3.775 -10.343 1023 HA ASP 126 HA ASP 126 35.958 -5.312 -8.007 1024 HB2 ASP 126 HB2 ASP 126 38.388 -6.134 -8.587 1025 HB3 ASP 126 HB3 ASP 126 36.989 -7.101 -9.044 1026 H GLU 127 H GLU 127 36.229 -3.514 -6.820 1027 HA GLU 127 HA GLU 127 38.754 -2.277 -6.659 1028 HB2 GLU 127 HB2 GLU 127 37.698 -1.251 -8.789 1029 HB3 GLU 127 HB3 GLU 127 36.666 -0.369 -7.672 1030 HG2 GLU 127 HG2 GLU 127 38.416 0.871 -6.822 1031 HG3 GLU 127 HG3 GLU 127 39.629 -0.302 -7.330 1032 HA PRO 128 HA PRO 128 35.820 -1.938 -3.047 1033 HB2 PRO 128 HB2 PRO 128 37.438 -3.226 -1.288 1034 HB3 PRO 128 HB3 PRO 128 36.283 -4.070 -2.327 1035 HG2 PRO 128 HG2 PRO 128 39.231 -3.692 -2.688 1036 HG3 PRO 128 HG3 PRO 128 38.249 -5.146 -2.949 1037 HD2 PRO 128 HD2 PRO 128 39.055 -3.548 -4.981 1038 HD3 PRO 128 HD3 PRO 128 37.516 -4.433 -5.015 1039 H VAL 129 H VAL 129 35.927 -0.331 -1.560 1040 HA VAL 129 HA VAL 129 37.986 1.588 -1.707 1041 HB VAL 129 HB VAL 129 36.885 2.579 0.333 1042 HG11 VAL 129 HG11 VAL 129 35.124 1.902 -2.021 1043 HG12 VAL 129 HG12 VAL 129 34.828 3.200 -0.862 1044 HG13 VAL 129 HG13 VAL 129 36.247 3.257 -1.909 1045 HG21 VAL 129 HG21 VAL 129 35.222 1.546 1.460 1046 HG22 VAL 129 HG22 VAL 129 34.588 0.754 0.018 1047 HG23 VAL 129 HG23 VAL 129 35.999 0.089 0.840 1048 H LYS 130 H LYS 130 39.741 1.992 -0.458 1049 HA LYS 130 HA LYS 130 40.739 -0.157 1.169 1050 HB2 LYS 130 HB2 LYS 130 42.091 1.376 -0.386 1051 HB3 LYS 130 HB3 LYS 130 41.988 2.570 0.901 1052 HG2 LYS 130 HG2 LYS 130 43.277 1.283 2.360 1053 HG3 LYS 130 HG3 LYS 130 43.042 -0.188 1.413 1054 HD2 LYS 130 HD2 LYS 130 44.438 2.175 0.217 1055 HD3 LYS 130 HD3 LYS 130 45.311 1.067 1.279 1056 HE2 LYS 130 HE2 LYS 130 43.776 0.232 -1.179 1057 HE3 LYS 130 HE3 LYS 130 45.515 0.520 -1.139 1058 HZ1 LYS 130 HZ1 LYS 130 45.510 -1.197 0.735 1059 HZ2 LYS 130 HZ2 LYS 130 45.318 -1.757 -0.849 1060 HZ3 LYS 130 HZ3 LYS 130 43.974 -1.629 0.170 1061 H LEU 131 H LEU 131 39.589 -0.359 3.039 1062 HA LEU 131 HA LEU 131 38.815 1.874 4.642 1063 HB2 LEU 131 HB2 LEU 131 39.019 -0.912 5.702 1064 HB3 LEU 131 HB3 LEU 131 37.837 0.340 6.077 1065 HG LEU 131 HG LEU 131 37.969 -1.325 3.565 1066 HD11 LEU 131 HD11 LEU 131 35.475 -1.462 4.868 1067 HD12 LEU 131 HD12 LEU 131 36.713 -1.704 6.099 1068 HD13 LEU 131 HD13 LEU 131 36.675 -2.740 4.672 1069 HD21 LEU 131 HD21 LEU 131 35.991 -0.162 2.838 1070 HD22 LEU 131 HD22 LEU 131 37.273 1.013 3.133 1071 HD23 LEU 131 HD23 LEU 131 35.974 0.810 4.309 1072 H SER 132 H SER 132 41.562 -0.273 4.538 1073 HA SER 132 HA SER 132 42.630 0.934 6.995 1074 HB2 SER 132 HB2 SER 132 43.292 -1.612 5.522 1075 HB3 SER 132 HB3 SER 132 44.365 -0.945 6.752 1076 HG SER 132 HG SER 132 42.494 -0.997 8.174 1077 H ALA 133 H ALA 133 42.854 2.859 5.427 1078 HA ALA 133 HA ALA 133 45.443 2.680 4.029 1079 HB1 ALA 133 HB1 ALA 133 43.173 3.335 2.839 1080 HB2 ALA 133 HB2 ALA 133 43.582 4.928 3.479 1081 HB3 ALA 133 HB3 ALA 133 44.704 4.095 2.402 Start of MODEL 14 1 H MET 1 H MET 1 -0.499 -2.054 -1.972 2 HA MET 1 HA MET 1 1.536 -0.453 -0.867 3 HB2 MET 1 HB2 MET 1 -0.332 -2.526 0.203 4 HB3 MET 1 HB3 MET 1 0.996 -1.978 1.216 5 HG2 MET 1 HG2 MET 1 -0.718 -0.584 1.851 6 HG3 MET 1 HG3 MET 1 0.135 0.390 0.656 7 HE1 MET 1 HE1 MET 1 -2.397 1.795 0.855 8 HE2 MET 1 HE2 MET 1 -3.898 0.945 0.490 9 HE3 MET 1 HE3 MET 1 -2.935 0.471 1.889 10 H THR 2 H THR 2 1.486 -3.746 -1.950 11 HA THR 2 HA THR 2 4.002 -4.382 -0.626 12 HB THR 2 HB THR 2 3.743 -6.619 -1.598 13 HG1 THR 2 HG1 THR 2 1.588 -6.938 -2.676 14 HG21 THR 2 HG21 THR 2 2.679 -6.656 0.425 15 HG22 THR 2 HG22 THR 2 1.298 -6.994 -0.619 16 HG23 THR 2 HG23 THR 2 1.567 -5.360 -0.013 17 H LEU 3 H LEU 3 5.810 -5.260 -1.869 18 HA LEU 3 HA LEU 3 6.515 -3.548 -4.027 19 HB2 LEU 3 HB2 LEU 3 7.972 -6.082 -3.391 20 HB3 LEU 3 HB3 LEU 3 8.615 -4.543 -3.960 21 HG LEU 3 HG LEU 3 7.619 -5.159 -1.179 22 HD11 LEU 3 HD11 LEU 3 9.703 -6.060 -1.153 23 HD12 LEU 3 HD12 LEU 3 10.134 -4.379 -0.839 24 HD13 LEU 3 HD13 LEU 3 10.286 -5.039 -2.467 25 HD21 LEU 3 HD21 LEU 3 8.496 -2.876 -0.668 26 HD22 LEU 3 HD22 LEU 3 7.048 -2.894 -1.676 27 HD23 LEU 3 HD23 LEU 3 8.627 -2.598 -2.405 28 HA PRO 4 HA PRO 4 5.145 -5.792 -7.543 29 HB2 PRO 4 HB2 PRO 4 7.101 -5.204 -9.331 30 HB3 PRO 4 HB3 PRO 4 5.890 -4.027 -8.809 31 HG2 PRO 4 HG2 PRO 4 8.714 -4.381 -7.879 32 HG3 PRO 4 HG3 PRO 4 7.837 -2.884 -8.248 33 HD2 PRO 4 HD2 PRO 4 8.206 -3.770 -5.716 34 HD3 PRO 4 HD3 PRO 4 6.762 -2.864 -6.209 35 H SER 5 H SER 5 8.214 -6.463 -6.116 36 HA SER 5 HA SER 5 8.926 -8.654 -7.811 37 HB2 SER 5 HB2 SER 5 10.338 -9.112 -5.535 38 HB3 SER 5 HB3 SER 5 10.843 -7.985 -6.794 39 HG SER 5 HG SER 5 10.439 -7.399 -4.316 40 H GLY 6 H GLY 6 6.790 -8.244 -5.163 41 HA2 GLY 6 HA2 GLY 6 5.133 -9.980 -4.795 42 HA3 GLY 6 HA3 GLY 6 6.399 -11.167 -5.066 43 H HIS 7 H HIS 7 7.825 -8.816 -3.307 44 HA HIS 7 HA HIS 7 7.483 -10.335 -0.837 45 HB2 HIS 7 HB2 HIS 7 9.654 -8.923 -2.069 46 HB3 HIS 7 HB3 HIS 7 9.355 -8.241 -0.473 47 HD1 HIS 7 HD1 HIS 7 8.897 -11.895 -1.255 48 HD2 HIS 7 HD2 HIS 7 11.547 -9.399 0.747 49 HE1 HIS 7 HE1 HIS 7 10.438 -13.427 0.011 50 HA PRO 8 HA PRO 8 4.935 -7.344 1.126 51 HB2 PRO 8 HB2 PRO 8 5.658 -7.717 3.716 52 HB3 PRO 8 HB3 PRO 8 4.672 -8.876 2.818 53 HG2 PRO 8 HG2 PRO 8 7.608 -8.937 3.397 54 HG3 PRO 8 HG3 PRO 8 6.426 -10.257 3.469 55 HD2 PRO 8 HD2 PRO 8 8.110 -9.922 1.376 56 HD3 PRO 8 HD3 PRO 8 6.479 -10.597 1.190 57 H LYS 9 H LYS 9 5.186 -5.208 1.117 58 HA LYS 9 HA LYS 9 7.726 -3.954 1.409 59 HB2 LYS 9 HB2 LYS 9 5.879 -3.092 -0.032 60 HB3 LYS 9 HB3 LYS 9 4.990 -2.668 1.425 61 HG2 LYS 9 HG2 LYS 9 7.048 -1.272 2.042 62 HG3 LYS 9 HG3 LYS 9 7.514 -1.466 0.350 63 HD2 LYS 9 HD2 LYS 9 6.328 0.582 0.490 64 HD3 LYS 9 HD3 LYS 9 5.229 -0.580 -0.256 65 HE2 LYS 9 HE2 LYS 9 3.844 -0.638 1.552 66 HE3 LYS 9 HE3 LYS 9 5.146 -0.321 2.697 67 HZ1 LYS 9 HZ1 LYS 9 3.298 1.482 1.873 68 HZ2 LYS 9 HZ2 LYS 9 4.640 1.879 0.925 69 HZ3 LYS 9 HZ3 LYS 9 4.773 1.860 2.611 70 H SER 10 H SER 10 4.746 -3.733 3.361 71 HA SER 10 HA SER 10 5.761 -2.208 5.439 72 HB2 SER 10 HB2 SER 10 3.333 -3.073 4.955 73 HB3 SER 10 HB3 SER 10 3.800 -4.403 6.015 74 HG SER 10 HG SER 10 2.850 -2.738 7.215 75 H ARG 11 H ARG 11 5.729 -5.737 5.083 76 HA ARG 11 HA ARG 11 6.867 -6.356 7.572 77 HB2 ARG 11 HB2 ARG 11 5.781 -7.879 5.732 78 HB3 ARG 11 HB3 ARG 11 7.435 -8.021 5.150 79 HG2 ARG 11 HG2 ARG 11 7.159 -9.864 6.539 80 HG3 ARG 11 HG3 ARG 11 8.022 -8.700 7.545 81 HD2 ARG 11 HD2 ARG 11 5.917 -8.039 8.592 82 HD3 ARG 11 HD3 ARG 11 5.044 -9.181 7.571 83 HE ARG 11 HE ARG 11 7.042 -10.558 8.983 84 HH11 ARG 11 HH11 ARG 11 4.018 -8.921 9.529 85 HH12 ARG 11 HH12 ARG 11 3.599 -9.879 10.910 86 HH21 ARG 11 HH21 ARG 11 6.502 -11.826 10.801 87 HH22 ARG 11 HH22 ARG 11 5.013 -11.530 11.634 88 H LEU 12 H LEU 12 8.304 -5.447 4.503 89 HA LEU 12 HA LEU 12 10.985 -6.093 5.243 90 HB2 LEU 12 HB2 LEU 12 9.602 -5.072 2.940 91 HB3 LEU 12 HB3 LEU 12 11.039 -4.103 3.263 92 HG LEU 12 HG LEU 12 12.423 -6.119 3.147 93 HD11 LEU 12 HD11 LEU 12 11.534 -8.242 2.504 94 HD12 LEU 12 HD12 LEU 12 9.915 -7.568 2.321 95 HD13 LEU 12 HD13 LEU 12 10.646 -7.684 3.922 96 HD21 LEU 12 HD21 LEU 12 11.995 -4.782 1.126 97 HD22 LEU 12 HD22 LEU 12 10.619 -5.819 0.748 98 HD23 LEU 12 HD23 LEU 12 12.252 -6.488 0.759 99 H ILE 13 H ILE 13 9.090 -3.097 5.154 100 HA ILE 13 HA ILE 13 11.080 -1.293 5.854 101 HB ILE 13 HB ILE 13 8.147 -1.253 6.568 102 HG12 ILE 13 HG12 ILE 13 8.695 -1.244 4.148 103 HG13 ILE 13 HG13 ILE 13 7.934 0.254 4.673 104 HG21 ILE 13 HG21 ILE 13 8.794 1.326 6.625 105 HG22 ILE 13 HG22 ILE 13 8.876 0.301 8.057 106 HG23 ILE 13 HG23 ILE 13 10.341 0.655 7.141 107 HD11 ILE 13 HD11 ILE 13 10.128 1.331 4.742 108 HD12 ILE 13 HD12 ILE 13 10.872 -0.168 4.186 109 HD13 ILE 13 HD13 ILE 13 9.748 0.700 3.140 110 H LYS 14 H LYS 14 8.982 -3.238 7.950 111 HA LYS 14 HA LYS 14 9.980 -2.195 10.390 112 HB2 LYS 14 HB2 LYS 14 8.559 -4.788 9.762 113 HB3 LYS 14 HB3 LYS 14 8.920 -4.236 11.393 114 HG2 LYS 14 HG2 LYS 14 7.358 -2.520 9.503 115 HG3 LYS 14 HG3 LYS 14 6.578 -3.805 10.427 116 HD2 LYS 14 HD2 LYS 14 7.017 -2.775 12.465 117 HD3 LYS 14 HD3 LYS 14 8.320 -1.789 11.797 118 HE2 LYS 14 HE2 LYS 14 6.501 -0.671 10.388 119 HE3 LYS 14 HE3 LYS 14 5.352 -1.446 11.477 120 HZ1 LYS 14 HZ1 LYS 14 6.006 -0.158 13.234 121 HZ2 LYS 14 HZ2 LYS 14 6.224 0.940 11.966 122 HZ3 LYS 14 HZ3 LYS 14 7.556 0.124 12.616 123 H LYS 15 H LYS 15 10.943 -4.851 8.313 124 HA LYS 15 HA LYS 15 12.714 -6.102 10.136 125 HB2 LYS 15 HB2 LYS 15 12.468 -6.151 7.135 126 HB3 LYS 15 HB3 LYS 15 13.732 -7.041 7.974 127 HG2 LYS 15 HG2 LYS 15 12.246 -8.521 8.926 128 HG3 LYS 15 HG3 LYS 15 10.883 -7.409 8.781 129 HD2 LYS 15 HD2 LYS 15 10.313 -8.667 7.011 130 HD3 LYS 15 HD3 LYS 15 11.581 -7.772 6.170 131 HE2 LYS 15 HE2 LYS 15 11.896 -10.123 5.779 132 HE3 LYS 15 HE3 LYS 15 13.193 -9.539 6.821 133 HZ1 LYS 15 HZ1 LYS 15 12.513 -10.811 8.518 134 HZ2 LYS 15 HZ2 LYS 15 11.720 -11.713 7.327 135 HZ3 LYS 15 HZ3 LYS 15 10.868 -10.552 8.215 136 H PHE 16 H PHE 16 13.290 -3.837 7.450 137 HA PHE 16 HA PHE 16 16.056 -3.608 7.770 138 HB2 PHE 16 HB2 PHE 16 14.056 -1.599 6.716 139 HB3 PHE 16 HB3 PHE 16 15.802 -1.434 6.562 140 HD1 PHE 16 HD2 PHE 16 16.782 -3.963 5.765 141 HD2 PHE 16 HD1 PHE 16 13.110 -2.097 4.693 142 HE1 PHE 16 HE2 PHE 16 16.724 -5.279 3.687 143 HE2 PHE 16 HE1 PHE 16 13.045 -3.411 2.613 144 HZ PHE 16 HZ PHE 16 14.854 -5.003 2.107 145 H THR 17 H THR 17 13.450 -2.272 9.597 146 HA THR 17 HA THR 17 14.754 -0.055 10.745 147 HB THR 17 HB THR 17 12.561 -1.756 11.948 148 HG1 THR 17 HG1 THR 17 11.371 0.239 11.098 149 HG21 THR 17 HG21 THR 17 13.522 -0.404 13.666 150 HG22 THR 17 HG22 THR 17 12.025 0.381 13.162 151 HG23 THR 17 HG23 THR 17 13.579 1.005 12.607 152 H ALA 18 H ALA 18 15.040 -3.441 11.307 153 HA ALA 18 HA ALA 18 16.154 -3.198 13.956 154 HB1 ALA 18 HB1 ALA 18 16.549 -5.662 12.348 155 HB2 ALA 18 HB2 ALA 18 16.109 -5.474 14.046 156 HB3 ALA 18 HB3 ALA 18 14.900 -5.218 12.789 157 H LEU 19 H LEU 19 17.311 -2.605 10.886 158 HA LEU 19 HA LEU 19 20.074 -3.301 11.598 159 HB2 LEU 19 HB2 LEU 19 19.066 -2.398 8.913 160 HB3 LEU 19 HB3 LEU 19 20.612 -3.157 9.286 161 HG LEU 19 HG LEU 19 17.909 -4.496 9.396 162 HD11 LEU 19 HD11 LEU 19 18.237 -4.545 7.172 163 HD12 LEU 19 HD12 LEU 19 19.355 -5.850 7.566 164 HD13 LEU 19 HD13 LEU 19 19.965 -4.215 7.310 165 HD21 LEU 19 HD21 LEU 19 20.624 -5.301 10.276 166 HD22 LEU 19 HD22 LEU 19 19.636 -6.516 9.465 167 HD23 LEU 19 HD23 LEU 19 19.044 -5.731 10.931 168 H GLY 20 H GLY 20 18.090 -0.797 12.012 169 HA2 GLY 20 HA2 GLY 20 19.993 1.082 12.660 170 HA3 GLY 20 HA3 GLY 20 19.616 1.384 10.970 171 HA PRO 21 HA PRO 21 16.659 3.938 13.363 172 HB2 PRO 21 HB2 PRO 21 16.621 5.961 11.554 173 HB3 PRO 21 HB3 PRO 21 17.855 5.821 12.812 174 HG2 PRO 21 HG2 PRO 21 17.996 5.044 9.924 175 HG3 PRO 21 HG3 PRO 21 19.207 5.871 10.921 176 HD2 PRO 21 HD2 PRO 21 19.348 3.228 10.353 177 HD3 PRO 21 HD3 PRO 21 19.941 3.909 11.881 178 H TYR 22 H TYR 22 14.551 4.871 12.662 179 HA TYR 22 HA TYR 22 13.033 2.985 11.245 180 HB2 TYR 22 HB2 TYR 22 12.446 5.814 12.108 181 HB3 TYR 22 HB3 TYR 22 11.251 4.811 11.292 182 HD1 TYR 22 HD2 TYR 22 10.263 2.888 12.416 183 HD2 TYR 22 HD1 TYR 22 13.110 5.355 14.393 184 HE1 TYR 22 HE2 TYR 22 9.617 1.895 14.572 185 HE2 TYR 22 HE1 TYR 22 12.474 4.368 16.554 186 HH TYR 22 HH TYR 22 9.782 2.845 17.157 187 H ILE 23 H ILE 23 12.456 2.788 9.162 188 HA ILE 23 HA ILE 23 13.797 4.417 7.204 189 HB ILE 23 HB ILE 23 11.816 2.166 6.838 190 HG12 ILE 23 HG12 ILE 23 14.074 1.076 6.032 191 HG13 ILE 23 HG13 ILE 23 14.798 2.305 7.064 192 HG21 ILE 23 HG21 ILE 23 13.082 2.177 4.528 193 HG22 ILE 23 HG22 ILE 23 11.683 3.212 4.809 194 HG23 ILE 23 HG23 ILE 23 13.311 3.880 4.921 195 HD11 ILE 23 HD11 ILE 23 12.638 0.556 8.141 196 HD12 ILE 23 HD12 ILE 23 14.289 -0.051 8.011 197 HD13 ILE 23 HD13 ILE 23 13.949 1.377 8.988 198 H ARG 24 H ARG 24 12.883 5.802 5.716 199 HA ARG 24 HA ARG 24 10.388 7.021 6.523 200 HB2 ARG 24 HB2 ARG 24 12.572 8.186 5.681 201 HB3 ARG 24 HB3 ARG 24 11.931 7.827 4.083 202 HG2 ARG 24 HG2 ARG 24 9.909 9.084 4.597 203 HG3 ARG 24 HG3 ARG 24 10.528 9.425 6.215 204 HD2 ARG 24 HD2 ARG 24 12.587 10.350 4.840 205 HD3 ARG 24 HD3 ARG 24 11.365 10.526 3.582 206 HE ARG 24 HE ARG 24 10.194 11.685 5.715 207 HH11 ARG 24 HH11 ARG 24 13.318 12.070 4.228 208 HH12 ARG 24 HH12 ARG 24 13.469 13.738 4.671 209 HH21 ARG 24 HH21 ARG 24 10.380 13.881 6.304 210 HH22 ARG 24 HH22 ARG 24 11.797 14.767 5.853 211 H GLU 25 H GLU 25 8.752 5.605 6.000 212 HA GLU 25 HA GLU 25 8.465 4.086 3.714 213 HB2 GLU 25 HB2 GLU 25 6.410 5.389 5.491 214 HB3 GLU 25 HB3 GLU 25 5.957 4.345 4.151 215 HG2 GLU 25 HG2 GLU 25 5.997 2.769 5.752 216 HG3 GLU 25 HG3 GLU 25 7.716 2.742 5.366 217 H GLY 26 H GLY 26 8.176 4.536 1.633 218 HA2 GLY 26 HA2 GLY 26 8.241 7.077 0.544 219 HA3 GLY 26 HA3 GLY 26 7.634 5.659 -0.297 220 H GLN 27 H GLN 27 6.720 8.453 -0.385 221 HA GLN 27 HA GLN 27 4.045 8.229 0.792 222 HB2 GLN 27 HB2 GLN 27 5.276 10.292 1.268 223 HB3 GLN 27 HB3 GLN 27 5.442 10.602 -0.455 224 HG2 GLN 27 HG2 GLN 27 2.884 10.576 -0.512 225 HG3 GLN 27 HG3 GLN 27 2.979 10.721 1.242 226 HE21 GLN 27 HE21 GLN 27 2.293 12.490 -1.250 227 HE22 GLN 27 HE22 GLN 27 3.019 14.001 -0.836 228 H CYS 28 H CYS 28 5.677 8.831 -2.292 229 HA CYS 28 HA CYS 28 3.116 8.434 -3.677 230 HB2 CYS 28 HB2 CYS 28 5.705 9.670 -4.631 231 HB3 CYS 28 HB3 CYS 28 4.298 9.408 -5.655 232 HG CYS 28 HG CYS 28 4.990 11.995 -3.852 233 H GLU 29 H GLU 29 6.560 7.700 -4.267 234 HA GLU 29 HA GLU 29 5.812 5.358 -5.807 235 HB2 GLU 29 HB2 GLU 29 8.547 6.450 -5.122 236 HB3 GLU 29 HB3 GLU 29 8.216 5.154 -6.263 237 HG2 GLU 29 HG2 GLU 29 6.797 6.836 -7.528 238 HG3 GLU 29 HG3 GLU 29 7.543 8.065 -6.509 239 H ASP 30 H ASP 30 5.261 3.597 -4.699 240 HA ASP 30 HA ASP 30 6.586 2.995 -2.166 241 HB2 ASP 30 HB2 ASP 30 4.165 1.803 -3.526 242 HB3 ASP 30 HB3 ASP 30 4.843 1.177 -2.025 243 H ASN 31 H ASN 31 8.168 2.752 -4.489 244 HA ASN 31 HA ASN 31 8.680 -0.142 -4.448 245 HB2 ASN 31 HB2 ASN 31 9.055 -0.241 -6.778 246 HB3 ASN 31 HB3 ASN 31 7.566 0.683 -6.600 247 HD21 ASN 31 HD21 ASN 31 10.585 0.591 -8.002 248 HD22 ASN 31 HD22 ASN 31 10.699 2.241 -8.500 249 H ARG 32 H ARG 32 9.840 2.198 -3.026 250 HA ARG 32 HA ARG 32 12.632 1.667 -3.730 251 HB2 ARG 32 HB2 ARG 32 11.881 3.840 -4.766 252 HB3 ARG 32 HB3 ARG 32 11.622 4.450 -3.137 253 HG2 ARG 32 HG2 ARG 32 13.886 4.482 -2.649 254 HG3 ARG 32 HG3 ARG 32 14.279 3.333 -3.930 255 HD2 ARG 32 HD2 ARG 32 14.210 4.933 -5.573 256 HD3 ARG 32 HD3 ARG 32 13.082 5.953 -4.681 257 HE ARG 32 HE ARG 32 15.461 5.928 -3.252 258 HH11 ARG 32 HH11 ARG 32 14.326 6.963 -6.377 259 HH12 ARG 32 HH12 ARG 32 15.479 8.250 -6.514 260 HH21 ARG 32 HH21 ARG 32 16.983 7.619 -3.421 261 HH22 ARG 32 HH22 ARG 32 16.990 8.621 -4.832 262 H PHE 33 H PHE 33 14.141 2.255 -1.993 263 HA PHE 33 HA PHE 33 12.871 2.355 0.657 264 HB2 PHE 33 HB2 PHE 33 14.991 0.444 -0.309 265 HB3 PHE 33 HB3 PHE 33 14.763 0.789 1.402 266 HD1 PHE 33 HD1 PHE 33 11.941 0.868 1.793 267 HD2 PHE 33 HD2 PHE 33 14.205 -1.658 -0.778 268 HE1 PHE 33 HE1 PHE 33 10.161 -0.828 1.898 269 HE2 PHE 33 HE2 PHE 33 12.429 -3.357 -0.678 270 HZ PHE 33 HZ PHE 33 10.403 -2.943 0.661 271 H PHE 34 H PHE 34 13.498 4.188 1.575 272 HA PHE 34 HA PHE 34 16.100 5.334 0.918 273 HB2 PHE 34 HB2 PHE 34 13.681 6.516 1.194 274 HB3 PHE 34 HB3 PHE 34 14.318 6.734 2.821 275 HD1 PHE 34 HD2 PHE 34 16.591 7.844 3.070 276 HD2 PHE 34 HD1 PHE 34 14.341 7.918 -0.543 277 HE1 PHE 34 HE2 PHE 34 17.897 9.781 2.300 278 HE2 PHE 34 HE1 PHE 34 15.644 9.855 -1.319 279 HZ PHE 34 HZ PHE 34 17.425 10.789 0.102 280 H PHE 35 H PHE 35 17.635 5.911 2.484 281 HA PHE 35 HA PHE 35 17.246 5.014 5.221 282 HB2 PHE 35 HB2 PHE 35 19.360 3.860 3.398 283 HB3 PHE 35 HB3 PHE 35 19.411 3.724 5.153 284 HD1 PHE 35 HD1 PHE 35 17.538 2.520 6.326 285 HD2 PHE 35 HD2 PHE 35 18.080 2.388 2.106 286 HE1 PHE 35 HE1 PHE 35 16.132 0.504 6.212 287 HE2 PHE 35 HE2 PHE 35 16.674 0.373 1.985 288 HZ PHE 35 HZ PHE 35 15.697 -0.571 4.039 289 H ASP 36 H ASP 36 18.411 6.169 6.678 290 HA ASP 36 HA ASP 36 20.156 8.268 5.580 291 HB2 ASP 36 HB2 ASP 36 18.910 8.278 8.325 292 HB3 ASP 36 HB3 ASP 36 19.569 9.639 7.421 293 H CYS 37 H CYS 37 22.244 7.807 5.751 294 HA CYS 37 HA CYS 37 23.172 6.268 8.077 295 HB2 CYS 37 HB2 CYS 37 24.647 6.763 5.486 296 HB3 CYS 37 HB3 CYS 37 25.094 5.638 6.762 297 HG CYS 37 HG CYS 37 22.422 5.359 4.646 298 H LEU 38 H LEU 38 24.025 7.441 9.652 299 HA LEU 38 HA LEU 38 25.417 9.941 8.958 300 HB2 LEU 38 HB2 LEU 38 24.443 9.278 11.708 301 HB3 LEU 38 HB3 LEU 38 24.772 10.856 10.997 302 HG LEU 38 HG LEU 38 22.381 9.084 10.552 303 HD11 LEU 38 HD11 LEU 38 21.985 10.357 12.441 304 HD12 LEU 38 HD12 LEU 38 21.297 11.355 11.160 305 HD13 LEU 38 HD13 LEU 38 22.884 11.743 11.823 306 HD21 LEU 38 HD21 LEU 38 21.761 11.219 9.103 307 HD22 LEU 38 HD22 LEU 38 22.579 9.819 8.408 308 HD23 LEU 38 HD23 LEU 38 23.508 11.247 8.864 309 H ALA 39 H ALA 39 27.441 9.030 8.582 310 HA ALA 39 HA ALA 39 28.696 7.357 10.572 311 HB1 ALA 39 HB1 ALA 39 29.071 7.178 8.080 312 HB2 ALA 39 HB2 ALA 39 30.040 8.646 8.211 313 HB3 ALA 39 HB3 ALA 39 30.522 7.191 9.083 314 H VAL 40 H VAL 40 29.123 10.667 9.353 315 HA VAL 40 HA VAL 40 30.445 11.346 11.886 316 HB VAL 40 HB VAL 40 31.413 12.213 9.158 317 HG11 VAL 40 HG11 VAL 40 32.005 13.147 11.916 318 HG12 VAL 40 HG12 VAL 40 33.337 13.063 10.761 319 HG13 VAL 40 HG13 VAL 40 31.922 14.055 10.407 320 HG21 VAL 40 HG21 VAL 40 32.356 10.150 9.321 321 HG22 VAL 40 HG22 VAL 40 33.544 11.058 10.256 322 HG23 VAL 40 HG23 VAL 40 32.290 10.134 11.083 323 H CYS 41 H CYS 41 29.695 13.156 12.803 324 HA CYS 41 HA CYS 41 27.658 14.672 11.381 325 HB2 CYS 41 HB2 CYS 41 27.204 15.690 13.590 326 HB3 CYS 41 HB3 CYS 41 27.125 13.933 13.635 327 HG CYS 41 HG CYS 41 28.379 15.333 15.931 328 H VAL 42 H VAL 42 27.939 16.654 10.577 329 HA VAL 42 HA VAL 42 30.561 17.853 10.676 330 HB VAL 42 HB VAL 42 29.794 19.389 9.036 331 HG11 VAL 42 HG11 VAL 42 29.695 17.863 7.415 332 HG12 VAL 42 HG12 VAL 42 29.622 16.646 8.691 333 HG13 VAL 42 HG13 VAL 42 28.134 17.264 7.973 334 HG21 VAL 42 HG21 VAL 42 27.761 20.191 9.902 335 HG22 VAL 42 HG22 VAL 42 27.330 19.397 8.387 336 HG23 VAL 42 HG23 VAL 42 27.039 18.582 9.924 337 H ASN 43 H ASN 43 27.947 17.948 12.694 338 HA ASN 43 HA ASN 43 27.475 19.226 14.524 339 HB2 ASN 43 HB2 ASN 43 30.080 19.546 14.404 340 HB3 ASN 43 HB3 ASN 43 29.659 21.167 13.860 341 HD21 ASN 43 HD21 ASN 43 30.991 21.343 15.992 342 HD22 ASN 43 HD22 ASN 43 30.038 21.544 17.419 343 H VAL 44 H VAL 44 26.662 21.419 15.109 344 HA VAL 44 HA VAL 44 25.358 22.605 12.782 345 HB VAL 44 HB VAL 44 23.885 23.717 14.373 346 HG11 VAL 44 HG11 VAL 44 22.636 21.866 14.920 347 HG12 VAL 44 HG12 VAL 44 23.712 21.196 13.692 348 HG13 VAL 44 HG13 VAL 44 24.045 20.923 15.403 349 HG21 VAL 44 HG21 VAL 44 26.017 23.337 16.161 350 HG22 VAL 44 HG22 VAL 44 24.468 24.116 16.480 351 HG23 VAL 44 HG23 VAL 44 24.668 22.392 16.792 352 H LYS 45 H LYS 45 28.114 23.161 13.073 353 HA LYS 45 HA LYS 45 28.588 25.649 14.341 354 HB2 LYS 45 HB2 LYS 45 30.046 23.855 12.507 355 HB3 LYS 45 HB3 LYS 45 30.494 25.553 12.401 356 HG2 LYS 45 HG2 LYS 45 30.314 24.392 15.113 357 HG3 LYS 45 HG3 LYS 45 31.646 23.846 14.092 358 HD2 LYS 45 HD2 LYS 45 32.238 26.229 13.693 359 HD3 LYS 45 HD3 LYS 45 30.987 26.691 14.850 360 HE2 LYS 45 HE2 LYS 45 32.460 26.441 16.492 361 HE3 LYS 45 HE3 LYS 45 32.564 24.724 16.106 362 HZ1 LYS 45 HZ1 LYS 45 34.289 25.296 14.455 363 HZ2 LYS 45 HZ2 LYS 45 34.742 25.668 16.042 364 HZ3 LYS 45 HZ3 LYS 45 34.248 26.900 14.992 365 HA PRO 46 HA PRO 46 28.128 27.563 9.928 366 HB2 PRO 46 HB2 PRO 46 27.087 25.977 7.986 367 HB3 PRO 46 HB3 PRO 46 28.820 26.077 8.318 368 HG2 PRO 46 HG2 PRO 46 26.840 24.008 9.191 369 HG3 PRO 46 HG3 PRO 46 28.489 23.789 8.576 370 HD2 PRO 46 HD2 PRO 46 27.892 23.679 11.215 371 HD3 PRO 46 HD3 PRO 46 29.449 24.283 10.612 372 H ALA 47 H ALA 47 26.076 27.673 8.207 373 HA ALA 47 HA ALA 47 23.949 28.677 9.632 374 HB1 ALA 47 HB1 ALA 47 23.007 27.571 7.147 375 HB2 ALA 47 HB2 ALA 47 23.239 29.258 7.610 376 HB3 ALA 47 HB3 ALA 47 24.583 28.336 6.935 377 HA PRO 48 HA PRO 48 21.472 25.355 11.075 378 HB2 PRO 48 HB2 PRO 48 18.954 26.271 10.637 379 HB3 PRO 48 HB3 PRO 48 20.010 26.927 11.894 380 HG2 PRO 48 HG2 PRO 48 19.427 27.999 9.160 381 HG3 PRO 48 HG3 PRO 48 19.545 28.868 10.701 382 HD2 PRO 48 HD2 PRO 48 21.562 28.825 8.896 383 HD3 PRO 48 HD3 PRO 48 21.848 28.911 10.646 384 H GLU 49 H GLU 49 20.188 26.632 7.998 385 HA GLU 49 HA GLU 49 19.005 24.142 7.255 386 HB2 GLU 49 HB2 GLU 49 18.597 25.232 5.085 387 HB3 GLU 49 HB3 GLU 49 18.088 26.239 6.433 388 HG2 GLU 49 HG2 GLU 49 20.623 27.115 6.067 389 HG3 GLU 49 HG3 GLU 49 20.168 26.688 4.418 390 H LYS 50 H LYS 50 22.168 25.210 7.290 391 HA LYS 50 HA LYS 50 22.989 23.608 4.984 392 HB2 LYS 50 HB2 LYS 50 24.345 25.657 6.702 393 HB3 LYS 50 HB3 LYS 50 25.310 24.534 5.754 394 HG2 LYS 50 HG2 LYS 50 24.352 25.325 3.713 395 HG3 LYS 50 HG3 LYS 50 23.180 26.312 4.590 396 HD2 LYS 50 HD2 LYS 50 24.648 27.983 4.362 397 HD3 LYS 50 HD3 LYS 50 25.597 27.161 5.603 398 HE2 LYS 50 HE2 LYS 50 25.882 26.408 2.719 399 HE3 LYS 50 HE3 LYS 50 26.724 27.818 3.361 400 HZ1 LYS 50 HZ1 LYS 50 27.040 25.526 5.034 401 HZ2 LYS 50 HZ2 LYS 50 28.219 26.527 4.349 402 HZ3 LYS 50 HZ3 LYS 50 27.593 25.230 3.462 403 H ARG 51 H ARG 51 22.022 22.663 7.751 404 HA ARG 51 HA ARG 51 24.328 21.281 8.806 405 HB2 ARG 51 HB2 ARG 51 22.517 22.115 10.278 406 HB3 ARG 51 HB3 ARG 51 21.406 20.983 9.519 407 HG2 ARG 51 HG2 ARG 51 23.083 19.176 10.265 408 HG3 ARG 51 HG3 ARG 51 23.707 20.425 11.344 409 HD2 ARG 51 HD2 ARG 51 20.895 19.344 11.247 410 HD3 ARG 51 HD3 ARG 51 22.083 19.094 12.525 411 HE ARG 51 HE ARG 51 21.789 21.810 12.358 412 HH11 ARG 51 HH11 ARG 51 19.659 19.109 12.896 413 HH12 ARG 51 HH12 ARG 51 18.554 20.010 13.880 414 HH21 ARG 51 HH21 ARG 51 20.341 23.006 13.652 415 HH22 ARG 51 HH22 ARG 51 18.942 22.226 14.309 416 H GLU 52 H GLU 52 25.093 19.472 7.955 417 HA GLU 52 HA GLU 52 23.210 17.481 6.913 418 HB2 GLU 52 HB2 GLU 52 25.682 18.457 5.474 419 HB3 GLU 52 HB3 GLU 52 24.750 17.043 5.004 420 HG2 GLU 52 HG2 GLU 52 23.222 18.269 3.956 421 HG3 GLU 52 HG3 GLU 52 23.100 19.412 5.292 422 H PHE 53 H PHE 53 24.338 15.342 6.535 423 HA PHE 53 HA PHE 53 26.509 14.945 8.483 424 HB2 PHE 53 HB2 PHE 53 24.271 12.967 8.050 425 HB3 PHE 53 HB3 PHE 53 25.485 12.964 9.325 426 HD1 PHE 53 HD2 PHE 53 25.424 15.705 10.291 427 HD2 PHE 53 HD1 PHE 53 22.224 13.167 9.093 428 HE1 PHE 53 HE2 PHE 53 23.890 16.954 11.754 429 HE2 PHE 53 HE1 PHE 53 20.685 14.412 10.553 430 HZ PHE 53 HZ PHE 53 21.517 16.307 11.888 431 H TRP 54 H TRP 54 28.020 13.353 7.998 432 HA TRP 54 HA TRP 54 28.299 12.774 5.187 433 HB2 TRP 54 HB2 TRP 54 30.048 12.006 7.534 434 HB3 TRP 54 HB3 TRP 54 30.471 11.802 5.836 435 HD1 TRP 54 HD1 TRP 54 31.071 14.092 8.581 436 HE1 TRP 54 HE1 TRP 54 31.848 16.398 7.740 437 HE3 TRP 54 HE3 TRP 54 29.789 13.633 3.653 438 HZ2 TRP 54 HZ2 TRP 54 31.908 17.832 5.310 439 HZ3 TRP 54 HZ3 TRP 54 30.239 15.518 2.137 440 HH2 TRP 54 HH2 TRP 54 31.276 17.573 2.950 441 H GLY 55 H GLY 55 27.818 10.927 4.172 442 HA2 GLY 55 HA2 GLY 55 27.860 8.374 5.439 443 HA3 GLY 55 HA3 GLY 55 26.213 8.957 5.257 444 H TRP 56 H TRP 56 25.441 7.626 3.710 445 HA TRP 56 HA TRP 56 26.164 8.102 1.013 446 HB2 TRP 56 HB2 TRP 56 26.867 5.723 0.506 447 HB3 TRP 56 HB3 TRP 56 28.049 6.694 1.379 448 HD1 TRP 56 HD1 TRP 56 28.367 6.125 4.028 449 HE1 TRP 56 HE1 TRP 56 28.012 3.924 5.313 450 HE3 TRP 56 HE3 TRP 56 25.475 3.651 0.615 451 HZ2 TRP 56 HZ2 TRP 56 26.682 1.463 4.930 452 HZ3 TRP 56 HZ3 TRP 56 24.703 1.377 1.151 453 HH2 TRP 56 HH2 TRP 56 25.296 0.307 3.265 454 H TRP 57 H TRP 57 24.153 8.206 0.256 455 HA TRP 57 HA TRP 57 21.933 6.860 1.302 456 HB2 TRP 57 HB2 TRP 57 20.833 7.495 -0.885 457 HB3 TRP 57 HB3 TRP 57 21.564 8.827 0.006 458 HD1 TRP 57 HD1 TRP 57 22.334 6.550 -3.027 459 HE1 TRP 57 HE1 TRP 57 23.833 7.869 -4.651 460 HE3 TRP 57 HE3 TRP 57 23.052 10.768 -0.228 461 HZ2 TRP 57 HZ2 TRP 57 25.148 10.365 -4.734 462 HZ3 TRP 57 HZ3 TRP 57 24.444 12.574 -1.152 463 HH2 TRP 57 HH2 TRP 57 25.470 12.375 -3.359 464 H MET 58 H MET 58 20.949 4.954 0.846 465 HA MET 58 HA MET 58 22.321 3.189 -1.073 466 HB2 MET 58 HB2 MET 58 22.212 2.700 1.519 467 HB3 MET 58 HB3 MET 58 20.606 2.105 1.120 468 HG2 MET 58 HG2 MET 58 22.751 1.129 -0.624 469 HG3 MET 58 HG3 MET 58 22.864 0.619 1.059 470 HE1 MET 58 HE1 MET 58 20.130 -1.866 1.575 471 HE2 MET 58 HE2 MET 58 21.759 -1.319 1.972 472 HE3 MET 58 HE3 MET 58 20.374 -0.275 2.297 473 H GLU 59 H GLU 59 21.188 3.003 -2.889 474 HA GLU 59 HA GLU 59 18.250 2.887 -2.703 475 HB2 GLU 59 HB2 GLU 59 18.982 4.829 -3.955 476 HB3 GLU 59 HB3 GLU 59 20.006 3.828 -4.974 477 HG2 GLU 59 HG2 GLU 59 17.970 2.675 -5.796 478 HG3 GLU 59 HG3 GLU 59 17.001 3.819 -4.870 479 H LEU 60 H LEU 60 17.537 0.871 -2.874 480 HA LEU 60 HA LEU 60 18.669 -0.844 -4.970 481 HB2 LEU 60 HB2 LEU 60 18.801 -2.726 -3.568 482 HB3 LEU 60 HB3 LEU 60 19.571 -1.408 -2.686 483 HG LEU 60 HG LEU 60 16.733 -2.281 -2.186 484 HD11 LEU 60 HD11 LEU 60 18.612 -4.034 -1.807 485 HD12 LEU 60 HD12 LEU 60 17.415 -3.750 -0.545 486 HD13 LEU 60 HD13 LEU 60 19.019 -3.029 -0.416 487 HD21 LEU 60 HD21 LEU 60 16.711 -0.430 -0.955 488 HD22 LEU 60 HD22 LEU 60 18.432 -0.154 -1.227 489 HD23 LEU 60 HD23 LEU 60 17.903 -1.195 0.096 490 H GLU 61 H GLU 61 17.232 -2.607 -5.617 491 HA GLU 61 HA GLU 61 14.399 -2.021 -5.063 492 HB2 GLU 61 HB2 GLU 61 15.441 -1.372 -7.397 493 HB3 GLU 61 HB3 GLU 61 15.237 -3.086 -7.727 494 HG2 GLU 61 HG2 GLU 61 12.844 -2.875 -7.169 495 HG3 GLU 61 HG3 GLU 61 13.076 -1.141 -6.950 496 H ALA 62 H ALA 62 13.624 -3.676 -3.934 497 HA ALA 62 HA ALA 62 14.707 -6.205 -3.680 498 HB1 ALA 62 HB1 ALA 62 11.794 -6.185 -3.484 499 HB2 ALA 62 HB2 ALA 62 13.012 -6.561 -2.265 500 HB3 ALA 62 HB3 ALA 62 12.575 -4.883 -2.586 501 H GLN 63 H GLN 63 15.055 -7.687 -5.191 502 HA GLN 63 HA GLN 63 13.579 -7.731 -7.652 503 HB2 GLN 63 HB2 GLN 63 16.090 -8.409 -7.090 504 HB3 GLN 63 HB3 GLN 63 15.356 -9.992 -6.876 505 HG2 GLN 63 HG2 GLN 63 16.275 -9.593 -9.143 506 HG3 GLN 63 HG3 GLN 63 14.563 -10.012 -9.122 507 HE21 GLN 63 HE21 GLN 63 13.145 -8.671 -10.045 508 HE22 GLN 63 HE22 GLN 63 13.528 -7.117 -10.695 509 H GLU 64 H GLU 64 12.754 -9.903 -8.485 510 HA GLU 64 HA GLU 64 10.505 -10.679 -7.110 511 HB2 GLU 64 HB2 GLU 64 11.951 -11.586 -9.435 512 HB3 GLU 64 HB3 GLU 64 11.311 -12.960 -8.544 513 HG2 GLU 64 HG2 GLU 64 9.077 -11.910 -8.602 514 HG3 GLU 64 HG3 GLU 64 9.745 -10.614 -9.591 515 H LYS 65 H LYS 65 13.681 -12.269 -7.106 516 HA LYS 65 HA LYS 65 13.066 -13.400 -4.488 517 HB2 LYS 65 HB2 LYS 65 12.966 -14.938 -6.863 518 HB3 LYS 65 HB3 LYS 65 14.433 -15.407 -6.014 519 HG2 LYS 65 HG2 LYS 65 12.009 -15.204 -4.356 520 HG3 LYS 65 HG3 LYS 65 12.019 -16.496 -5.559 521 HD2 LYS 65 HD2 LYS 65 14.477 -16.170 -3.946 522 HD3 LYS 65 HD3 LYS 65 13.050 -16.768 -3.096 523 HE2 LYS 65 HE2 LYS 65 13.859 -18.759 -3.826 524 HE3 LYS 65 HE3 LYS 65 12.920 -18.326 -5.254 525 HZ1 LYS 65 HZ1 LYS 65 15.364 -19.080 -5.510 526 HZ2 LYS 65 HZ2 LYS 65 15.735 -17.495 -5.052 527 HZ3 LYS 65 HZ3 LYS 65 14.800 -17.778 -6.433 528 H ARG 66 H ARG 66 14.759 -11.274 -5.121 529 HA ARG 66 HA ARG 66 17.198 -12.191 -3.948 530 HB2 ARG 66 HB2 ARG 66 17.061 -11.683 -6.865 531 HB3 ARG 66 HB3 ARG 66 18.439 -10.993 -6.017 532 HG2 ARG 66 HG2 ARG 66 18.708 -13.375 -5.033 533 HG3 ARG 66 HG3 ARG 66 17.694 -13.859 -6.394 534 HD2 ARG 66 HD2 ARG 66 19.345 -12.545 -7.845 535 HD3 ARG 66 HD3 ARG 66 20.405 -12.568 -6.435 536 HE ARG 66 HE ARG 66 19.510 -15.181 -7.001 537 HH11 ARG 66 HH11 ARG 66 21.643 -12.718 -8.228 538 HH12 ARG 66 HH12 ARG 66 22.724 -13.845 -8.980 539 HH21 ARG 66 HH21 ARG 66 20.925 -16.674 -7.987 540 HH22 ARG 66 HH22 ARG 66 22.313 -16.095 -8.844 541 H PHE 67 H PHE 67 18.875 -10.216 -4.132 542 HA PHE 67 HA PHE 67 17.413 -7.690 -3.860 543 HB2 PHE 67 HB2 PHE 67 18.664 -9.197 -1.707 544 HB3 PHE 67 HB3 PHE 67 19.327 -7.572 -1.845 545 HD1 PHE 67 HD2 PHE 67 17.514 -5.674 -2.115 546 HD2 PHE 67 HD1 PHE 67 16.795 -9.508 -0.414 547 HE1 PHE 67 HE2 PHE 67 15.561 -4.773 -0.920 548 HE2 PHE 67 HE1 PHE 67 14.840 -8.615 0.782 549 HZ PHE 67 HZ PHE 67 14.220 -6.245 0.530 550 H THR 68 H THR 68 18.945 -5.807 -3.685 551 HA THR 68 HA THR 68 21.508 -6.307 -5.025 552 HB THR 68 HB THR 68 21.164 -4.449 -6.566 553 HG1 THR 68 HG1 THR 68 19.340 -3.251 -6.546 554 HG21 THR 68 HG21 THR 68 19.938 -5.621 -8.110 555 HG22 THR 68 HG22 THR 68 18.689 -6.062 -6.946 556 HG23 THR 68 HG23 THR 68 20.241 -6.899 -6.934 557 H TYR 69 H TYR 69 23.070 -4.627 -4.761 558 HA TYR 69 HA TYR 69 22.473 -2.448 -2.947 559 HB2 TYR 69 HB2 TYR 69 24.500 -4.567 -2.205 560 HB3 TYR 69 HB3 TYR 69 24.215 -3.068 -1.328 561 HD1 TYR 69 HD1 TYR 69 22.216 -2.781 0.032 562 HD2 TYR 69 HD2 TYR 69 22.935 -6.415 -2.060 563 HE1 TYR 69 HE1 TYR 69 20.493 -3.896 1.388 564 HE2 TYR 69 HE2 TYR 69 21.213 -7.540 -0.711 565 HH TYR 69 HH TYR 69 18.922 -6.053 0.954 566 H ARG 70 H ARG 70 24.319 -0.973 -2.687 567 HA ARG 70 HA ARG 70 26.539 -1.280 -4.517 568 HB2 ARG 70 HB2 ARG 70 26.095 0.724 -5.799 569 HB3 ARG 70 HB3 ARG 70 24.733 -0.377 -5.951 570 HG2 ARG 70 HG2 ARG 70 23.326 1.135 -5.148 571 HG3 ARG 70 HG3 ARG 70 24.350 1.432 -3.742 572 HD2 ARG 70 HD2 ARG 70 25.368 3.225 -4.692 573 HD3 ARG 70 HD3 ARG 70 25.268 2.554 -6.320 574 HE ARG 70 HE ARG 70 22.710 3.299 -5.283 575 HH11 ARG 70 HH11 ARG 70 25.593 4.503 -6.819 576 HH12 ARG 70 HH12 ARG 70 24.799 5.865 -7.536 577 HH21 ARG 70 HH21 ARG 70 21.653 5.088 -6.223 578 HH22 ARG 70 HH22 ARG 70 22.558 6.198 -7.196 579 H TYR 71 H TYR 71 28.119 0.479 -4.303 580 HA TYR 71 HA TYR 71 27.902 1.844 -1.700 581 HB2 TYR 71 HB2 TYR 71 30.455 1.614 -1.661 582 HB3 TYR 71 HB3 TYR 71 29.512 0.162 -1.345 583 HD1 TYR 71 HD1 TYR 71 29.316 -1.587 -3.092 584 HD2 TYR 71 HD2 TYR 71 31.876 1.777 -3.572 585 HE1 TYR 71 HE1 TYR 71 30.507 -2.759 -4.898 586 HE2 TYR 71 HE2 TYR 71 33.073 0.615 -5.380 587 HH TYR 71 HH TYR 71 33.192 -2.377 -5.881 588 H GLN 72 H GLN 72 27.746 3.959 -1.992 589 HA GLN 72 HA GLN 72 29.497 5.245 -3.964 590 HB2 GLN 72 HB2 GLN 72 26.914 4.918 -4.565 591 HB3 GLN 72 HB3 GLN 72 26.775 6.385 -3.606 592 HG2 GLN 72 HG2 GLN 72 28.765 6.197 -5.829 593 HG3 GLN 72 HG3 GLN 72 27.074 6.573 -6.155 594 HE21 GLN 72 HE21 GLN 72 26.338 8.198 -4.187 595 HE22 GLN 72 HE22 GLN 72 27.291 9.639 -4.168 596 H PHE 73 H PHE 73 30.333 7.198 -3.359 597 HA PHE 73 HA PHE 73 29.966 7.918 -0.558 598 HB2 PHE 73 HB2 PHE 73 32.023 8.593 -2.643 599 HB3 PHE 73 HB3 PHE 73 31.907 9.532 -1.158 600 HD1 PHE 73 HD2 PHE 73 32.088 5.974 -2.266 601 HD2 PHE 73 HD1 PHE 73 33.200 8.893 0.625 602 HE1 PHE 73 HE2 PHE 73 33.460 4.295 -1.105 603 HE2 PHE 73 HE1 PHE 73 34.575 7.218 1.791 604 HZ PHE 73 HZ PHE 73 34.705 4.915 0.927 605 H GLY 74 H GLY 74 29.311 9.932 0.159 606 HA2 GLY 74 HA2 GLY 74 28.894 12.197 -1.441 607 HA3 GLY 74 HA3 GLY 74 27.393 11.285 -1.393 608 H LEU 75 H LEU 75 26.376 13.025 -0.307 609 HA LEU 75 HA LEU 75 26.972 13.066 2.567 610 HB2 LEU 75 HB2 LEU 75 27.935 15.087 1.793 611 HB3 LEU 75 HB3 LEU 75 26.547 15.434 0.764 612 HG LEU 75 HG LEU 75 26.092 15.292 3.697 613 HD11 LEU 75 HD11 LEU 75 26.773 17.634 3.959 614 HD12 LEU 75 HD12 LEU 75 27.441 17.614 2.328 615 HD13 LEU 75 HD13 LEU 75 28.139 16.585 3.579 616 HD21 LEU 75 HD21 LEU 75 25.045 17.518 2.129 617 HD22 LEU 75 HD22 LEU 75 24.207 16.377 3.181 618 HD23 LEU 75 HD23 LEU 75 24.569 15.936 1.511 619 H PHE 76 H PHE 76 25.199 13.296 3.918 620 HA PHE 76 HA PHE 76 22.597 12.945 2.595 621 HB2 PHE 76 HB2 PHE 76 23.148 11.070 3.993 622 HB3 PHE 76 HB3 PHE 76 23.568 12.128 5.337 623 HD1 PHE 76 HD1 PHE 76 20.701 11.190 3.159 624 HD2 PHE 76 HD2 PHE 76 21.996 12.591 6.964 625 HE1 PHE 76 HE1 PHE 76 18.395 11.029 3.999 626 HE2 PHE 76 HE2 PHE 76 19.691 12.431 7.810 627 HZ PHE 76 HZ PHE 76 17.887 11.651 6.327 628 H ASP 77 H ASP 77 21.679 14.899 2.381 629 HA ASP 77 HA ASP 77 21.901 16.876 4.503 630 HB2 ASP 77 HB2 ASP 77 20.573 18.300 2.889 631 HB3 ASP 77 HB3 ASP 77 22.146 17.764 2.304 632 H LYS 78 H LYS 78 19.641 18.197 4.638 633 HA LYS 78 HA LYS 78 17.864 16.364 5.981 634 HB2 LYS 78 HB2 LYS 78 16.606 18.433 6.574 635 HB3 LYS 78 HB3 LYS 78 18.300 18.477 7.046 636 HG2 LYS 78 HG2 LYS 78 18.837 20.074 5.488 637 HG3 LYS 78 HG3 LYS 78 17.493 19.646 4.427 638 HD2 LYS 78 HD2 LYS 78 17.090 20.886 7.138 639 HD3 LYS 78 HD3 LYS 78 17.297 21.848 5.673 640 HE2 LYS 78 HE2 LYS 78 15.248 19.673 5.756 641 HE3 LYS 78 HE3 LYS 78 14.904 21.231 6.506 642 HZ1 LYS 78 HZ1 LYS 78 14.177 20.991 4.139 643 HZ2 LYS 78 HZ2 LYS 78 15.809 20.957 3.697 644 HZ3 LYS 78 HZ3 LYS 78 15.165 22.330 4.447 645 H GLU 79 H GLU 79 17.998 18.012 2.939 646 HA GLU 79 HA GLU 79 15.197 17.750 2.349 647 HB2 GLU 79 HB2 GLU 79 17.576 18.432 0.618 648 HB3 GLU 79 HB3 GLU 79 15.918 18.409 0.034 649 HG2 GLU 79 HG2 GLU 79 15.330 20.144 1.661 650 HG3 GLU 79 HG3 GLU 79 17.004 20.181 2.210 651 H GLY 80 H GLY 80 17.767 15.606 2.427 652 HA2 GLY 80 HA2 GLY 80 17.901 13.387 1.830 653 HA3 GLY 80 HA3 GLY 80 16.223 13.487 1.317 654 H ASN 81 H ASN 81 18.379 15.766 -0.070 655 HA ASN 81 HA ASN 81 18.160 14.376 -2.636 656 HB2 ASN 81 HB2 ASN 81 18.636 17.226 -1.833 657 HB3 ASN 81 HB3 ASN 81 19.120 16.678 -3.435 658 HD21 ASN 81 HD21 ASN 81 16.822 18.313 -1.998 659 HD22 ASN 81 HD22 ASN 81 15.438 17.851 -2.924 660 H TRP 82 H TRP 82 19.993 14.230 -4.056 661 HA TRP 82 HA TRP 82 22.414 13.560 -2.618 662 HB2 TRP 82 HB2 TRP 82 23.194 12.747 -4.846 663 HB3 TRP 82 HB3 TRP 82 21.680 12.017 -4.320 664 HD1 TRP 82 HD1 TRP 82 23.103 14.401 -6.946 665 HE1 TRP 82 HE1 TRP 82 21.346 14.733 -8.798 666 HE3 TRP 82 HE3 TRP 82 19.159 11.985 -4.766 667 HZ2 TRP 82 HZ2 TRP 82 18.646 14.059 -9.272 668 HZ3 TRP 82 HZ3 TRP 82 17.025 11.875 -5.985 669 HH2 TRP 82 HH2 TRP 82 16.775 12.891 -8.190 670 H THR 83 H THR 83 24.176 14.787 -2.462 671 HA THR 83 HA THR 83 24.689 16.869 -4.443 672 HB THR 83 HB THR 83 24.636 17.485 -1.483 673 HG1 THR 83 HG1 THR 83 22.879 18.391 -3.538 674 HG21 THR 83 HG21 THR 83 26.303 18.698 -2.969 675 HG22 THR 83 HG22 THR 83 25.176 19.714 -2.069 676 HG23 THR 83 HG23 THR 83 24.910 19.407 -3.785 677 H VAL 84 H VAL 84 26.679 16.440 -5.123 678 HA VAL 84 HA VAL 84 28.578 14.965 -3.608 679 HB VAL 84 HB VAL 84 30.171 15.601 -5.444 680 HG11 VAL 84 HG11 VAL 84 27.635 14.137 -5.744 681 HG12 VAL 84 HG12 VAL 84 28.466 14.538 -7.248 682 HG13 VAL 84 HG13 VAL 84 29.295 13.601 -6.005 683 HG21 VAL 84 HG21 VAL 84 29.732 17.294 -6.813 684 HG22 VAL 84 HG22 VAL 84 28.201 16.560 -7.289 685 HG23 VAL 84 HG23 VAL 84 28.269 17.627 -5.886 686 H VAL 85 H VAL 85 29.775 15.701 -1.992 687 HA VAL 85 HA VAL 85 30.851 18.428 -2.140 688 HB VAL 85 HB VAL 85 30.502 18.490 0.426 689 HG11 VAL 85 HG11 VAL 85 28.527 19.021 -1.732 690 HG12 VAL 85 HG12 VAL 85 28.006 19.208 -0.056 691 HG13 VAL 85 HG13 VAL 85 29.369 20.146 -0.667 692 HG21 VAL 85 HG21 VAL 85 28.016 16.978 0.051 693 HG22 VAL 85 HG22 VAL 85 29.483 15.999 0.037 694 HG23 VAL 85 HG23 VAL 85 29.121 17.024 1.425 695 HA PRO 86 HA PRO 86 34.661 16.649 -0.881 696 HB2 PRO 86 HB2 PRO 86 35.740 18.654 0.598 697 HB3 PRO 86 HB3 PRO 86 35.597 18.728 -1.162 698 HG2 PRO 86 HG2 PRO 86 33.841 19.946 0.934 699 HG3 PRO 86 HG3 PRO 86 34.434 20.656 -0.579 700 HD2 PRO 86 HD2 PRO 86 31.931 19.654 -0.323 701 HD3 PRO 86 HD3 PRO 86 32.832 19.595 -1.852 702 H ILE 87 H ILE 87 35.456 15.375 0.711 703 HA ILE 87 HA ILE 87 33.976 15.292 3.222 704 HB ILE 87 HB ILE 87 36.044 13.379 2.132 705 HG12 ILE 87 HG12 ILE 87 33.943 13.472 0.816 706 HG13 ILE 87 HG13 ILE 87 34.169 11.921 1.617 707 HG21 ILE 87 HG21 ILE 87 36.156 12.864 4.336 708 HG22 ILE 87 HG22 ILE 87 34.562 13.531 4.686 709 HG23 ILE 87 HG23 ILE 87 34.708 11.939 3.942 710 HD11 ILE 87 HD11 ILE 87 32.701 13.581 3.371 711 HD12 ILE 87 HD12 ILE 87 31.968 13.698 1.771 712 HD13 ILE 87 HD13 ILE 87 32.173 12.121 2.534 713 H ASN 88 H ASN 88 34.950 15.373 5.257 714 HA ASN 88 HA ASN 88 36.991 17.242 5.604 715 HB2 ASN 88 HB2 ASN 88 35.378 15.517 7.300 716 HB3 ASN 88 HB3 ASN 88 37.015 15.696 7.924 717 HD21 ASN 88 HD21 ASN 88 36.329 16.894 9.683 718 HD22 ASN 88 HD22 ASN 88 35.792 18.529 9.536 719 H GLU 89 H GLU 89 38.865 16.426 7.307 720 HA GLU 89 HA GLU 89 40.897 15.405 5.788 721 HB2 GLU 89 HB2 GLU 89 41.142 16.478 8.026 722 HB3 GLU 89 HB3 GLU 89 40.597 14.980 8.765 723 HG2 GLU 89 HG2 GLU 89 42.522 13.817 8.075 724 HG3 GLU 89 HG3 GLU 89 42.992 15.101 6.963 725 H THR 90 H THR 90 42.065 13.339 5.955 726 HA THR 90 HA THR 90 40.563 11.171 5.166 727 HB THR 90 HB THR 90 42.983 11.288 4.819 728 HG1 THR 90 HG1 THR 90 42.634 8.984 6.396 729 HG21 THR 90 HG21 THR 90 44.499 11.502 6.462 730 HG22 THR 90 HG22 THR 90 43.718 10.277 7.462 731 HG23 THR 90 HG23 THR 90 43.129 11.939 7.482 732 H GLU 91 H GLU 91 41.379 12.204 8.405 733 HA GLU 91 HA GLU 91 40.897 9.907 9.865 734 HB2 GLU 91 HB2 GLU 91 40.210 11.455 11.716 735 HB3 GLU 91 HB3 GLU 91 41.752 11.848 10.968 736 HG2 GLU 91 HG2 GLU 91 41.050 13.864 10.375 737 HG3 GLU 91 HG3 GLU 91 39.571 13.219 9.666 738 H VAL 92 H VAL 92 38.618 12.128 8.397 739 HA VAL 92 HA VAL 92 36.317 10.961 9.678 740 HB VAL 92 HB VAL 92 36.523 12.885 7.358 741 HG11 VAL 92 HG11 VAL 92 34.389 12.392 6.955 742 HG12 VAL 92 HG12 VAL 92 34.274 11.391 8.404 743 HG13 VAL 92 HG13 VAL 92 34.012 13.132 8.511 744 HG21 VAL 92 HG21 VAL 92 37.241 14.107 9.167 745 HG22 VAL 92 HG22 VAL 92 35.501 14.385 9.248 746 HG23 VAL 92 HG23 VAL 92 36.255 13.197 10.312 747 H VAL 93 H VAL 93 37.755 10.873 6.433 748 HA VAL 93 HA VAL 93 35.855 9.344 5.124 749 HB VAL 93 HB VAL 93 38.298 10.350 4.438 750 HG11 VAL 93 HG11 VAL 93 38.559 7.351 4.275 751 HG12 VAL 93 HG12 VAL 93 39.726 8.553 3.719 752 HG13 VAL 93 HG13 VAL 93 39.402 8.368 5.443 753 HG21 VAL 93 HG21 VAL 93 37.699 9.829 2.276 754 HG22 VAL 93 HG22 VAL 93 37.077 8.238 2.716 755 HG23 VAL 93 HG23 VAL 93 36.149 9.686 3.106 756 H GLU 94 H GLU 94 38.359 8.350 7.366 757 HA GLU 94 HA GLU 94 38.308 5.587 6.863 758 HB2 GLU 94 HB2 GLU 94 38.995 7.169 9.337 759 HB3 GLU 94 HB3 GLU 94 39.158 5.420 9.253 760 HG2 GLU 94 HG2 GLU 94 40.473 7.162 7.213 761 HG3 GLU 94 HG3 GLU 94 41.212 6.911 8.793 762 H ARG 95 H ARG 95 36.322 7.639 8.922 763 HA ARG 95 HA ARG 95 34.968 5.535 10.260 764 HB2 ARG 95 HB2 ARG 95 34.959 7.718 11.245 765 HB3 ARG 95 HB3 ARG 95 34.258 8.432 9.799 766 HG2 ARG 95 HG2 ARG 95 32.612 8.227 11.577 767 HG3 ARG 95 HG3 ARG 95 32.183 7.221 10.192 768 HD2 ARG 95 HD2 ARG 95 31.797 5.950 12.180 769 HD3 ARG 95 HD3 ARG 95 33.213 5.282 11.370 770 HE ARG 95 HE ARG 95 33.827 7.237 13.392 771 HH11 ARG 95 HH11 ARG 95 33.225 3.873 12.731 772 HH12 ARG 95 HH12 ARG 95 34.082 3.310 14.128 773 HH21 ARG 95 HH21 ARG 95 34.957 6.510 15.235 774 HH22 ARG 95 HH22 ARG 95 35.066 4.811 15.552 775 H LEU 96 H LEU 96 34.389 7.285 7.269 776 HA LEU 96 HA LEU 96 31.764 6.281 6.828 777 HB2 LEU 96 HB2 LEU 96 33.811 7.693 5.189 778 HB3 LEU 96 HB3 LEU 96 32.456 6.919 4.370 779 HG LEU 96 HG LEU 96 32.128 9.341 4.777 780 HD11 LEU 96 HD11 LEU 96 30.237 7.476 6.202 781 HD12 LEU 96 HD12 LEU 96 30.204 7.911 4.493 782 HD13 LEU 96 HD13 LEU 96 29.861 9.131 5.719 783 HD21 LEU 96 HD21 LEU 96 31.671 10.115 7.045 784 HD22 LEU 96 HD22 LEU 96 33.320 9.506 6.903 785 HD23 LEU 96 HD23 LEU 96 32.079 8.521 7.680 786 H GLU 97 H GLU 97 34.991 5.194 5.960 787 HA GLU 97 HA GLU 97 34.167 3.170 4.145 788 HB2 GLU 97 HB2 GLU 97 36.718 3.422 5.747 789 HB3 GLU 97 HB3 GLU 97 36.465 2.299 4.418 790 HG2 GLU 97 HG2 GLU 97 36.081 5.227 3.991 791 HG3 GLU 97 HG3 GLU 97 37.703 4.537 4.005 792 H TYR 98 H TYR 98 34.858 3.213 7.606 793 HA TYR 98 HA TYR 98 34.594 0.398 7.964 794 HB2 TYR 98 HB2 TYR 98 35.868 1.679 9.565 795 HB3 TYR 98 HB3 TYR 98 34.475 2.692 9.930 796 HD1 TYR 98 HD2 TYR 98 32.584 1.777 11.229 797 HD2 TYR 98 HD1 TYR 98 36.129 -0.481 10.566 798 HE1 TYR 98 HE2 TYR 98 31.944 0.249 13.047 799 HE2 TYR 98 HE1 TYR 98 35.498 -2.016 12.382 800 HH TYR 98 HH TYR 98 32.384 -2.007 13.797 801 H THR 99 H THR 99 32.401 3.137 8.185 802 HA THR 99 HA THR 99 30.240 1.795 9.403 803 HB THR 99 HB THR 99 28.844 3.638 8.328 804 HG1 THR 99 HG1 THR 99 29.999 4.317 6.607 805 HG21 THR 99 HG21 THR 99 30.734 5.291 9.645 806 HG22 THR 99 HG22 THR 99 30.753 3.718 10.444 807 HG23 THR 99 HG23 THR 99 29.240 4.612 10.290 808 H LEU 100 H LEU 100 31.008 2.423 5.991 809 HA LEU 100 HA LEU 100 28.702 1.161 4.945 810 HB2 LEU 100 HB2 LEU 100 29.587 1.565 2.872 811 HB3 LEU 100 HB3 LEU 100 30.419 2.778 3.842 812 HG LEU 100 HG LEU 100 32.252 0.871 3.993 813 HD11 LEU 100 HD11 LEU 100 31.971 0.178 1.295 814 HD12 LEU 100 HD12 LEU 100 30.404 -0.132 2.041 815 HD13 LEU 100 HD13 LEU 100 31.858 -0.884 2.698 816 HD21 LEU 100 HD21 LEU 100 32.057 2.398 1.424 817 HD22 LEU 100 HD22 LEU 100 33.478 2.052 2.410 818 HD23 LEU 100 HD23 LEU 100 32.288 3.234 2.960 819 H ARG 101 H ARG 101 31.887 -0.001 5.836 820 HA ARG 101 HA ARG 101 31.684 -2.542 4.590 821 HB2 ARG 101 HB2 ARG 101 33.702 -1.174 5.782 822 HB3 ARG 101 HB3 ARG 101 33.315 -2.336 7.043 823 HG2 ARG 101 HG2 ARG 101 34.848 -3.554 5.910 824 HG3 ARG 101 HG3 ARG 101 33.415 -4.015 4.989 825 HD2 ARG 101 HD2 ARG 101 33.941 -2.544 3.233 826 HD3 ARG 101 HD3 ARG 101 35.117 -1.667 4.211 827 HE ARG 101 HE ARG 101 36.173 -4.138 4.115 828 HH11 ARG 101 HH11 ARG 101 34.944 -2.011 1.648 829 HH12 ARG 101 HH12 ARG 101 36.009 -2.608 0.419 830 HH21 ARG 101 HH21 ARG 101 37.579 -4.934 2.505 831 HH22 ARG 101 HH22 ARG 101 37.507 -4.272 0.907 832 H GLU 102 H GLU 102 31.005 -1.391 7.875 833 HA GLU 102 HA GLU 102 30.258 -3.957 8.870 834 HB2 GLU 102 HB2 GLU 102 30.133 -1.153 9.870 835 HB3 GLU 102 HB3 GLU 102 29.095 -2.344 10.641 836 HG2 GLU 102 HG2 GLU 102 32.090 -2.498 10.384 837 HG3 GLU 102 HG3 GLU 102 31.184 -2.104 11.844 838 H PHE 103 H PHE 103 28.588 -1.362 7.257 839 HA PHE 103 HA PHE 103 25.945 -2.073 7.943 840 HB2 PHE 103 HB2 PHE 103 26.788 0.093 6.852 841 HB3 PHE 103 HB3 PHE 103 26.732 -0.794 5.332 842 HD1 PHE 103 HD2 PHE 103 24.534 -1.748 4.569 843 HD2 PHE 103 HD1 PHE 103 24.853 1.022 7.785 844 HE1 PHE 103 HE2 PHE 103 22.140 -1.220 4.347 845 HE2 PHE 103 HE1 PHE 103 22.460 1.553 7.570 846 HZ PHE 103 HZ PHE 103 21.100 0.431 5.850 847 H HIS 104 H HIS 104 28.120 -3.141 5.398 848 HA HIS 104 HA HIS 104 26.178 -4.602 3.921 849 HB2 HIS 104 HB2 HIS 104 28.209 -3.932 2.822 850 HB3 HIS 104 HB3 HIS 104 29.194 -4.777 4.012 851 HD1 HIS 104 HD1 HIS 104 29.068 -7.444 3.924 852 HD2 HIS 104 HD2 HIS 104 27.432 -5.441 0.673 853 HE1 HIS 104 HE1 HIS 104 28.851 -9.172 2.110 854 H GLU 105 H GLU 105 28.258 -5.350 6.635 855 HA GLU 105 HA GLU 105 27.886 -8.176 6.535 856 HB2 GLU 105 HB2 GLU 105 29.216 -6.245 8.283 857 HB3 GLU 105 HB3 GLU 105 28.507 -7.593 9.160 858 HG2 GLU 105 HG2 GLU 105 30.392 -7.874 6.832 859 HG3 GLU 105 HG3 GLU 105 30.869 -7.946 8.527 860 H LYS 106 H LYS 106 26.452 -5.585 8.500 861 HA LYS 106 HA LYS 106 24.736 -7.227 10.006 862 HB2 LYS 106 HB2 LYS 106 23.887 -5.284 10.879 863 HB3 LYS 106 HB3 LYS 106 25.401 -4.675 10.222 864 HG2 LYS 106 HG2 LYS 106 24.040 -4.139 8.115 865 HG3 LYS 106 HG3 LYS 106 22.625 -4.359 9.146 866 HD2 LYS 106 HD2 LYS 106 24.893 -2.439 9.672 867 HD3 LYS 106 HD3 LYS 106 23.317 -2.003 9.009 868 HE2 LYS 106 HE2 LYS 106 22.225 -2.725 11.044 869 HE3 LYS 106 HE3 LYS 106 23.760 -3.292 11.700 870 HZ1 LYS 106 HZ1 LYS 106 22.693 -0.845 12.117 871 HZ2 LYS 106 HZ2 LYS 106 23.805 -0.535 10.880 872 HZ3 LYS 106 HZ3 LYS 106 24.324 -1.242 12.327 873 H LEU 107 H LEU 107 24.430 -5.802 6.826 874 HA LEU 107 HA LEU 107 21.637 -6.231 6.528 875 HB2 LEU 107 HB2 LEU 107 23.447 -4.822 5.149 876 HB3 LEU 107 HB3 LEU 107 23.382 -6.264 4.137 877 HG LEU 107 HG LEU 107 21.879 -4.732 3.173 878 HD11 LEU 107 HD11 LEU 107 20.234 -6.573 4.903 879 HD12 LEU 107 HD12 LEU 107 21.009 -7.018 3.383 880 HD13 LEU 107 HD13 LEU 107 19.722 -5.813 3.396 881 HD21 LEU 107 HD21 LEU 107 21.043 -3.053 4.354 882 HD22 LEU 107 HD22 LEU 107 21.563 -3.820 5.855 883 HD23 LEU 107 HD23 LEU 107 19.972 -4.181 5.185 884 H ARG 108 H ARG 108 24.499 -8.150 5.811 885 HA ARG 108 HA ARG 108 23.383 -10.143 4.239 886 HB2 ARG 108 HB2 ARG 108 25.753 -9.869 5.949 887 HB3 ARG 108 HB3 ARG 108 25.191 -11.526 5.769 888 HG2 ARG 108 HG2 ARG 108 25.496 -9.830 3.340 889 HG3 ARG 108 HG3 ARG 108 26.931 -10.513 4.106 890 HD2 ARG 108 HD2 ARG 108 24.653 -12.346 3.653 891 HD3 ARG 108 HD3 ARG 108 25.525 -11.795 2.224 892 HE ARG 108 HE ARG 108 26.432 -13.677 4.159 893 HH11 ARG 108 HH11 ARG 108 27.498 -11.174 1.986 894 HH12 ARG 108 HH12 ARG 108 29.093 -11.826 1.809 895 HH21 ARG 108 HH21 ARG 108 28.530 -14.545 3.934 896 HH22 ARG 108 HH22 ARG 108 29.679 -13.744 2.917 897 H ASP 109 H ASP 109 23.566 -9.939 7.778 898 HA ASP 109 HA ASP 109 22.446 -12.409 8.397 899 HB2 ASP 109 HB2 ASP 109 23.499 -10.668 9.965 900 HB3 ASP 109 HB3 ASP 109 21.905 -9.919 10.004 901 H LEU 110 H LEU 110 20.844 -9.287 7.856 902 HA LEU 110 HA LEU 110 18.227 -10.097 8.397 903 HB2 LEU 110 HB2 LEU 110 18.755 -7.776 8.195 904 HB3 LEU 110 HB3 LEU 110 19.303 -7.991 6.534 905 HG LEU 110 HG LEU 110 16.811 -8.726 6.142 906 HD11 LEU 110 HD11 LEU 110 15.722 -6.798 7.833 907 HD12 LEU 110 HD12 LEU 110 16.781 -7.765 8.859 908 HD13 LEU 110 HD13 LEU 110 15.504 -8.546 7.927 909 HD21 LEU 110 HD21 LEU 110 16.677 -6.799 5.024 910 HD22 LEU 110 HD22 LEU 110 18.286 -6.459 5.662 911 HD23 LEU 110 HD23 LEU 110 16.859 -5.833 6.488 912 H LEU 111 H LEU 111 19.930 -9.944 5.273 913 HA LEU 111 HA LEU 111 17.836 -10.982 3.719 914 HB2 LEU 111 HB2 LEU 111 20.687 -10.441 3.390 915 HB3 LEU 111 HB3 LEU 111 20.114 -11.798 2.422 916 HG LEU 111 HG LEU 111 18.619 -10.430 1.210 917 HD11 LEU 111 HD11 LEU 111 17.664 -9.138 2.993 918 HD12 LEU 111 HD12 LEU 111 18.283 -8.036 1.763 919 HD13 LEU 111 HD13 LEU 111 19.189 -8.291 3.255 920 HD21 LEU 111 HD21 LEU 111 21.172 -10.181 0.851 921 HD22 LEU 111 HD22 LEU 111 20.942 -8.572 1.534 922 HD23 LEU 111 HD23 LEU 111 20.078 -9.039 0.069 923 H ILE 112 H ILE 112 20.277 -12.529 5.677 924 HA ILE 112 HA ILE 112 20.004 -15.144 4.617 925 HB ILE 112 HB ILE 112 21.019 -14.149 7.275 926 HG12 ILE 112 HG12 ILE 112 22.669 -15.568 5.232 927 HG13 ILE 112 HG13 ILE 112 22.205 -13.901 4.912 928 HG21 ILE 112 HG21 ILE 112 20.879 -16.970 6.230 929 HG22 ILE 112 HG22 ILE 112 21.926 -16.468 7.556 930 HG23 ILE 112 HG23 ILE 112 20.176 -16.332 7.717 931 HD11 ILE 112 HD11 ILE 112 23.177 -14.079 7.578 932 HD12 ILE 112 HD12 ILE 112 24.331 -14.853 6.491 933 HD13 ILE 112 HD13 ILE 112 23.838 -13.184 6.210 934 H SER 113 H SER 113 18.235 -13.315 7.003 935 HA SER 113 HA SER 113 16.866 -15.552 8.142 936 HB2 SER 113 HB2 SER 113 17.047 -13.603 9.505 937 HB3 SER 113 HB3 SER 113 16.377 -12.573 8.241 938 HG SER 113 HG SER 113 14.903 -14.699 9.378 939 H MET 114 H MET 114 16.435 -13.593 5.340 940 HA MET 114 HA MET 114 13.738 -14.696 4.933 941 HB2 MET 114 HB2 MET 114 13.859 -12.868 3.005 942 HB3 MET 114 HB3 MET 114 13.393 -12.455 4.650 943 HG2 MET 114 HG2 MET 114 15.375 -11.393 5.095 944 HG3 MET 114 HG3 MET 114 16.264 -12.314 3.884 945 HE1 MET 114 HE1 MET 114 13.608 -9.730 4.598 946 HE2 MET 114 HE2 MET 114 15.042 -8.707 4.538 947 HE3 MET 114 HE3 MET 114 13.783 -8.533 3.315 948 H GLU 115 H GLU 115 16.815 -15.410 4.205 949 HA GLU 115 HA GLU 115 17.854 -16.658 2.612 950 HB2 GLU 115 HB2 GLU 115 15.104 -17.394 1.622 951 HB3 GLU 115 HB3 GLU 115 16.582 -18.338 1.506 952 HG2 GLU 115 HG2 GLU 115 16.484 -18.223 4.124 953 HG3 GLU 115 HG3 GLU 115 14.773 -17.923 3.827 954 H LEU 116 H LEU 116 17.582 -13.980 1.993 955 HA LEU 116 HA LEU 116 16.864 -13.924 -0.852 956 HB2 LEU 116 HB2 LEU 116 16.846 -11.973 1.323 957 HB3 LEU 116 HB3 LEU 116 17.536 -11.355 -0.176 958 HG LEU 116 HG LEU 116 15.132 -10.846 0.080 959 HD11 LEU 116 HD11 LEU 116 15.558 -10.744 -2.131 960 HD12 LEU 116 HD12 LEU 116 14.541 -12.184 -2.174 961 HD13 LEU 116 HD13 LEU 116 16.297 -12.345 -2.176 962 HD21 LEU 116 HD21 LEU 116 13.699 -12.381 0.788 963 HD22 LEU 116 HD22 LEU 116 15.005 -13.565 0.857 964 HD23 LEU 116 HD23 LEU 116 14.054 -13.386 -0.618 965 H ALA 117 H ALA 117 18.397 -13.944 -2.355 966 HA ALA 117 HA ALA 117 21.185 -13.776 -1.548 967 HB1 ALA 117 HB1 ALA 117 20.037 -15.479 -3.206 968 HB2 ALA 117 HB2 ALA 117 20.398 -14.213 -4.381 969 HB3 ALA 117 HB3 ALA 117 21.700 -14.942 -3.442 970 H LEU 118 H LEU 118 22.552 -12.150 -2.030 971 HA LEU 118 HA LEU 118 21.488 -9.918 -3.632 972 HB2 LEU 118 HB2 LEU 118 22.770 -8.404 -2.269 973 HB3 LEU 118 HB3 LEU 118 21.729 -9.392 -1.246 974 HG LEU 118 HG LEU 118 23.930 -10.845 -1.025 975 HD11 LEU 118 HD11 LEU 118 25.604 -9.885 -2.175 976 HD12 LEU 118 HD12 LEU 118 25.714 -8.830 -0.767 977 HD13 LEU 118 HD13 LEU 118 24.825 -8.302 -2.196 978 HD21 LEU 118 HD21 LEU 118 22.847 -8.547 0.450 979 HD22 LEU 118 HD22 LEU 118 24.520 -8.957 0.829 980 HD23 LEU 118 HD23 LEU 118 23.252 -10.171 1.008 981 H GLU 119 H GLU 119 22.769 -9.011 -5.187 982 HA GLU 119 HA GLU 119 25.542 -9.863 -5.443 983 HB2 GLU 119 HB2 GLU 119 23.350 -10.613 -7.331 984 HB3 GLU 119 HB3 GLU 119 24.945 -10.265 -7.983 985 HG2 GLU 119 HG2 GLU 119 24.539 -12.234 -5.760 986 HG3 GLU 119 HG3 GLU 119 24.387 -12.689 -7.456 987 HA PRO 120 HA PRO 120 26.194 -5.822 -7.018 988 HB2 PRO 120 HB2 PRO 120 28.145 -6.225 -8.862 989 HB3 PRO 120 HB3 PRO 120 28.433 -6.329 -7.121 990 HG2 PRO 120 HG2 PRO 120 27.978 -8.528 -9.101 991 HG3 PRO 120 HG3 PRO 120 29.156 -8.439 -7.778 992 HD2 PRO 120 HD2 PRO 120 26.842 -9.830 -7.576 993 HD3 PRO 120 HD3 PRO 120 27.600 -9.031 -6.184 994 H SER 121 H SER 121 26.286 -4.500 -9.053 995 HA SER 121 HA SER 121 24.235 -5.463 -10.895 996 HB2 SER 121 HB2 SER 121 24.662 -2.911 -11.678 997 HB3 SER 121 HB3 SER 121 23.555 -3.352 -10.379 998 HG SER 121 HG SER 121 24.773 -2.161 -9.162 999 H ASP 122 H ASP 122 24.628 -6.018 -12.943 1000 HA ASP 122 HA ASP 122 27.218 -6.448 -13.898 1001 HB2 ASP 122 HB2 ASP 122 24.659 -6.180 -15.490 1002 HB3 ASP 122 HB3 ASP 122 26.155 -6.908 -16.068 1003 H ASP 123 H ASP 123 25.268 -3.619 -13.911 1004 HA ASP 123 HA ASP 123 26.901 -2.331 -15.967 1005 HB2 ASP 123 HB2 ASP 123 24.337 -2.127 -15.817 1006 HB3 ASP 123 HB3 ASP 123 24.635 -1.039 -14.464 1007 H PHE 124 H PHE 124 27.912 -3.068 -13.274 1008 HA PHE 124 HA PHE 124 28.820 -0.386 -12.478 1009 HB2 PHE 124 HB2 PHE 124 27.115 -1.599 -10.905 1010 HB3 PHE 124 HB3 PHE 124 28.514 -2.559 -10.435 1011 HD1 PHE 124 HD2 PHE 124 27.989 1.068 -11.148 1012 HD2 PHE 124 HD1 PHE 124 29.317 -1.896 -8.396 1013 HE1 PHE 124 HE2 PHE 124 28.667 2.836 -9.576 1014 HE2 PHE 124 HE1 PHE 124 29.996 -0.133 -6.820 1015 HZ PHE 124 HZ PHE 124 29.671 2.236 -7.409 1016 H ASN 125 H ASN 125 30.962 -0.163 -12.420 1017 HA ASN 125 HA ASN 125 32.638 -2.433 -13.017 1018 HB2 ASN 125 HB2 ASN 125 32.809 0.110 -13.794 1019 HB3 ASN 125 HB3 ASN 125 33.808 0.226 -12.347 1020 HD21 ASN 125 HD21 ASN 125 35.840 -0.522 -12.396 1021 HD22 ASN 125 HD22 ASN 125 36.565 -1.308 -13.753 1022 H ASP 126 H ASP 126 34.912 -2.265 -11.778 1023 HA ASP 126 HA ASP 126 34.248 -2.805 -8.990 1024 HB2 ASP 126 HB2 ASP 126 36.745 -3.350 -10.606 1025 HB3 ASP 126 HB3 ASP 126 36.558 -3.762 -8.904 1026 H GLU 127 H GLU 127 34.878 -1.581 -7.314 1027 HA GLU 127 HA GLU 127 37.047 0.317 -7.572 1028 HB2 GLU 127 HB2 GLU 127 34.182 1.187 -7.239 1029 HB3 GLU 127 HB3 GLU 127 35.530 2.195 -6.732 1030 HG2 GLU 127 HG2 GLU 127 36.379 1.860 -9.150 1031 HG3 GLU 127 HG3 GLU 127 34.717 1.378 -9.487 1032 HA PRO 128 HA PRO 128 36.483 -1.600 -3.377 1033 HB2 PRO 128 HB2 PRO 128 39.075 -2.365 -3.120 1034 HB3 PRO 128 HB3 PRO 128 37.853 -3.364 -3.915 1035 HG2 PRO 128 HG2 PRO 128 39.912 -1.565 -5.132 1036 HG3 PRO 128 HG3 PRO 128 39.413 -3.192 -5.630 1037 HD2 PRO 128 HD2 PRO 128 38.528 -0.954 -6.870 1038 HD3 PRO 128 HD3 PRO 128 37.537 -2.419 -6.722 1039 H VAL 129 H VAL 129 37.218 -0.806 -1.383 1040 HA VAL 129 HA VAL 129 38.732 1.717 -1.555 1041 HB VAL 129 HB VAL 129 37.588 2.276 0.634 1042 HG11 VAL 129 HG11 VAL 129 35.549 3.044 -0.445 1043 HG12 VAL 129 HG12 VAL 129 36.934 3.261 -1.518 1044 HG13 VAL 129 HG13 VAL 129 35.814 1.923 -1.781 1045 HG21 VAL 129 HG21 VAL 129 35.297 0.593 0.112 1046 HG22 VAL 129 HG22 VAL 129 36.734 -0.366 0.463 1047 HG23 VAL 129 HG23 VAL 129 36.184 0.851 1.614 1048 H LYS 130 H LYS 130 40.313 2.161 -0.019 1049 HA LYS 130 HA LYS 130 41.571 -0.176 1.127 1050 HB2 LYS 130 HB2 LYS 130 42.338 2.675 0.699 1051 HB3 LYS 130 HB3 LYS 130 43.188 1.766 1.941 1052 HG2 LYS 130 HG2 LYS 130 42.927 0.466 -0.698 1053 HG3 LYS 130 HG3 LYS 130 43.989 1.873 -0.603 1054 HD2 LYS 130 HD2 LYS 130 45.411 0.089 -0.133 1055 HD3 LYS 130 HD3 LYS 130 44.990 0.706 1.466 1056 HE2 LYS 130 HE2 LYS 130 43.242 -1.398 0.332 1057 HE3 LYS 130 HE3 LYS 130 44.863 -1.887 0.821 1058 HZ1 LYS 130 HZ1 LYS 130 43.610 -0.240 2.784 1059 HZ2 LYS 130 HZ2 LYS 130 44.298 -1.776 2.951 1060 HZ3 LYS 130 HZ3 LYS 130 42.688 -1.620 2.455 1061 H LEU 131 H LEU 131 40.430 -0.876 2.878 1062 HA LEU 131 HA LEU 131 39.384 0.891 4.864 1063 HB2 LEU 131 HB2 LEU 131 39.627 -2.058 4.538 1064 HB3 LEU 131 HB3 LEU 131 39.295 -1.413 6.144 1065 HG LEU 131 HG LEU 131 37.277 -2.154 4.881 1066 HD11 LEU 131 HD11 LEU 131 35.923 -0.299 5.541 1067 HD12 LEU 131 HD12 LEU 131 37.303 0.798 5.480 1068 HD13 LEU 131 HD13 LEU 131 37.233 -0.463 6.711 1069 HD21 LEU 131 HD21 LEU 131 36.445 -0.658 3.101 1070 HD22 LEU 131 HD22 LEU 131 37.924 -1.505 2.647 1071 HD23 LEU 131 HD23 LEU 131 37.990 0.193 3.125 1072 H SER 132 H SER 132 42.301 -1.042 4.528 1073 HA SER 132 HA SER 132 43.205 -0.217 7.186 1074 HB2 SER 132 HB2 SER 132 43.400 -2.629 6.123 1075 HB3 SER 132 HB3 SER 132 44.852 -1.950 5.387 1076 HG SER 132 HG SER 132 45.419 -1.303 7.603 1077 H ALA 133 H ALA 133 43.159 2.012 5.971 1078 HA ALA 133 HA ALA 133 45.897 2.497 4.995 1079 HB1 ALA 133 HB1 ALA 133 44.871 2.982 3.047 1080 HB2 ALA 133 HB2 ALA 133 43.311 3.275 3.816 1081 HB3 ALA 133 HB3 ALA 133 44.555 4.525 3.840 Start of MODEL 15 1 H MET 1 H MET 1 0.151 -1.566 -3.408 2 HA MET 1 HA MET 1 2.077 0.222 -2.220 3 HB2 MET 1 HB2 MET 1 1.354 -0.779 -0.090 4 HB3 MET 1 HB3 MET 1 -0.011 -0.231 -1.054 5 HG2 MET 1 HG2 MET 1 -0.392 -2.539 -1.796 6 HG3 MET 1 HG3 MET 1 0.946 -3.070 -0.781 7 HE1 MET 1 HE1 MET 1 -2.407 -2.321 -1.374 8 HE2 MET 1 HE2 MET 1 -3.194 -3.137 -0.023 9 HE3 MET 1 HE3 MET 1 -3.007 -1.382 -0.007 10 H THR 2 H THR 2 1.841 -3.202 -2.965 11 HA THR 2 HA THR 2 4.231 -3.921 -1.549 12 HB THR 2 HB THR 2 4.001 -6.107 -2.642 13 HG1 THR 2 HG1 THR 2 1.679 -5.107 -3.933 14 HG21 THR 2 HG21 THR 2 1.307 -5.110 -1.715 15 HG22 THR 2 HG22 THR 2 2.637 -5.517 -0.631 16 HG23 THR 2 HG23 THR 2 1.916 -6.763 -1.649 17 H LEU 3 H LEU 3 6.143 -4.830 -2.594 18 HA LEU 3 HA LEU 3 7.215 -3.075 -4.536 19 HB2 LEU 3 HB2 LEU 3 8.364 -5.771 -3.912 20 HB3 LEU 3 HB3 LEU 3 9.206 -4.284 -4.342 21 HG LEU 3 HG LEU 3 7.876 -4.906 -1.707 22 HD11 LEU 3 HD11 LEU 3 9.873 -6.015 -1.587 23 HD12 LEU 3 HD12 LEU 3 10.365 -4.415 -1.033 24 HD13 LEU 3 HD13 LEU 3 10.683 -4.909 -2.696 25 HD21 LEU 3 HD21 LEU 3 7.545 -2.594 -2.084 26 HD22 LEU 3 HD22 LEU 3 9.168 -2.395 -2.747 27 HD23 LEU 3 HD23 LEU 3 8.951 -2.725 -1.027 28 HA PRO 4 HA PRO 4 6.101 -4.930 -8.356 29 HB2 PRO 4 HB2 PRO 4 8.293 -4.381 -9.860 30 HB3 PRO 4 HB3 PRO 4 7.123 -3.146 -9.381 31 HG2 PRO 4 HG2 PRO 4 9.781 -3.807 -8.173 32 HG3 PRO 4 HG3 PRO 4 9.070 -2.218 -8.512 33 HD2 PRO 4 HD2 PRO 4 9.070 -3.316 -6.037 34 HD3 PRO 4 HD3 PRO 4 7.767 -2.256 -6.612 35 H SER 5 H SER 5 8.916 -5.964 -6.652 36 HA SER 5 HA SER 5 9.608 -8.102 -8.440 37 HB2 SER 5 HB2 SER 5 11.013 -6.818 -6.545 38 HB3 SER 5 HB3 SER 5 10.472 -8.204 -5.598 39 HG SER 5 HG SER 5 12.017 -8.192 -7.968 40 H GLY 6 H GLY 6 7.305 -7.648 -5.955 41 HA2 GLY 6 HA2 GLY 6 5.502 -9.268 -5.803 42 HA3 GLY 6 HA3 GLY 6 6.700 -10.535 -6.024 43 H HIS 7 H HIS 7 8.079 -8.309 -4.038 44 HA HIS 7 HA HIS 7 7.472 -9.929 -1.684 45 HB2 HIS 7 HB2 HIS 7 9.792 -8.544 -2.655 46 HB3 HIS 7 HB3 HIS 7 9.381 -7.937 -1.054 47 HD1 HIS 7 HD1 HIS 7 9.233 -11.492 -2.405 48 HD2 HIS 7 HD2 HIS 7 11.046 -9.276 0.606 49 HE1 HIS 7 HE1 HIS 7 10.509 -13.158 -1.019 50 HA PRO 8 HA PRO 8 4.903 -6.931 0.238 51 HB2 PRO 8 HB2 PRO 8 5.469 -7.384 2.854 52 HB3 PRO 8 HB3 PRO 8 4.513 -8.500 1.871 53 HG2 PRO 8 HG2 PRO 8 7.410 -8.636 2.615 54 HG3 PRO 8 HG3 PRO 8 6.200 -9.932 2.585 55 HD2 PRO 8 HD2 PRO 8 8.009 -9.581 0.601 56 HD3 PRO 8 HD3 PRO 8 6.377 -10.217 0.305 57 H LYS 9 H LYS 9 5.182 -4.801 0.326 58 HA LYS 9 HA LYS 9 7.719 -3.594 0.751 59 HB2 LYS 9 HB2 LYS 9 6.041 -2.580 -0.710 60 HB3 LYS 9 HB3 LYS 9 4.958 -2.364 0.658 61 HG2 LYS 9 HG2 LYS 9 6.221 -0.648 1.558 62 HG3 LYS 9 HG3 LYS 9 7.679 -1.131 0.688 63 HD2 LYS 9 HD2 LYS 9 6.257 -0.559 -1.428 64 HD3 LYS 9 HD3 LYS 9 5.297 0.389 -0.289 65 HE2 LYS 9 HE2 LYS 9 7.698 1.251 0.433 66 HE3 LYS 9 HE3 LYS 9 8.093 0.783 -1.220 67 HZ1 LYS 9 HZ1 LYS 9 6.001 2.711 -0.374 68 HZ2 LYS 9 HZ2 LYS 9 6.222 2.185 -1.966 69 HZ3 LYS 9 HZ3 LYS 9 7.439 3.068 -1.191 70 H SER 10 H SER 10 4.750 -3.741 2.698 71 HA SER 10 HA SER 10 5.610 -2.186 4.844 72 HB2 SER 10 HB2 SER 10 3.763 -3.021 6.031 73 HB3 SER 10 HB3 SER 10 3.268 -3.167 4.345 74 HG SER 10 HG SER 10 2.832 -5.126 5.146 75 H ARG 11 H ARG 11 5.960 -5.662 4.266 76 HA ARG 11 HA ARG 11 7.117 -6.327 6.736 77 HB2 ARG 11 HB2 ARG 11 6.279 -7.771 4.634 78 HB3 ARG 11 HB3 ARG 11 8.008 -7.803 4.320 79 HG2 ARG 11 HG2 ARG 11 7.797 -9.680 5.589 80 HG3 ARG 11 HG3 ARG 11 8.120 -8.494 6.855 81 HD2 ARG 11 HD2 ARG 11 5.300 -9.009 6.040 82 HD3 ARG 11 HD3 ARG 11 6.122 -10.191 7.059 83 HE ARG 11 HE ARG 11 6.523 -7.682 8.194 84 HH11 ARG 11 HH11 ARG 11 3.887 -9.853 7.520 85 HH12 ARG 11 HH12 ARG 11 2.926 -9.310 8.855 86 HH21 ARG 11 HH21 ARG 11 5.268 -6.958 9.955 87 HH22 ARG 11 HH22 ARG 11 3.712 -7.663 10.240 88 H LEU 12 H LEU 12 8.539 -5.218 3.701 89 HA LEU 12 HA LEU 12 11.239 -5.594 4.414 90 HB2 LEU 12 HB2 LEU 12 9.745 -4.180 2.322 91 HB3 LEU 12 HB3 LEU 12 11.316 -3.479 2.702 92 HG LEU 12 HG LEU 12 11.507 -4.991 0.826 93 HD11 LEU 12 HD11 LEU 12 13.532 -5.389 1.636 94 HD12 LEU 12 HD12 LEU 12 12.885 -6.818 2.442 95 HD13 LEU 12 HD13 LEU 12 12.942 -5.275 3.294 96 HD21 LEU 12 HD21 LEU 12 9.949 -6.618 0.814 97 HD22 LEU 12 HD22 LEU 12 9.907 -6.743 2.573 98 HD23 LEU 12 HD23 LEU 12 11.194 -7.534 1.662 99 H ILE 13 H ILE 13 9.152 -2.720 4.587 100 HA ILE 13 HA ILE 13 11.065 -0.979 5.673 101 HB ILE 13 HB ILE 13 8.068 -0.926 6.044 102 HG12 ILE 13 HG12 ILE 13 8.759 -0.891 3.682 103 HG13 ILE 13 HG13 ILE 13 8.075 0.655 4.172 104 HG21 ILE 13 HG21 ILE 13 8.723 0.581 7.621 105 HG22 ILE 13 HG22 ILE 13 10.244 0.941 6.806 106 HG23 ILE 13 HG23 ILE 13 8.737 1.632 6.205 107 HD11 ILE 13 HD11 ILE 13 10.034 0.943 2.761 108 HD12 ILE 13 HD12 ILE 13 10.313 1.585 4.380 109 HD13 ILE 13 HD13 ILE 13 11.008 0.033 3.915 110 H LYS 14 H LYS 14 8.683 -3.087 7.237 111 HA LYS 14 HA LYS 14 9.288 -2.286 9.888 112 HB2 LYS 14 HB2 LYS 14 7.984 -4.774 8.780 113 HB3 LYS 14 HB3 LYS 14 8.132 -4.448 10.502 114 HG2 LYS 14 HG2 LYS 14 6.817 -2.487 8.659 115 HG3 LYS 14 HG3 LYS 14 5.931 -3.857 9.334 116 HD2 LYS 14 HD2 LYS 14 6.135 -3.072 11.515 117 HD3 LYS 14 HD3 LYS 14 7.504 -2.031 11.115 118 HE2 LYS 14 HE2 LYS 14 6.117 -0.462 10.028 119 HE3 LYS 14 HE3 LYS 14 4.754 -1.579 9.987 120 HZ1 LYS 14 HZ1 LYS 14 4.088 -0.854 11.955 121 HZ2 LYS 14 HZ2 LYS 14 5.292 0.332 11.908 122 HZ3 LYS 14 HZ3 LYS 14 5.599 -1.155 12.654 123 H LYS 15 H LYS 15 10.475 -4.879 7.808 124 HA LYS 15 HA LYS 15 12.017 -6.209 9.766 125 HB2 LYS 15 HB2 LYS 15 12.018 -6.154 6.769 126 HB3 LYS 15 HB3 LYS 15 13.318 -6.970 7.626 127 HG2 LYS 15 HG2 LYS 15 11.841 -8.528 8.594 128 HG3 LYS 15 HG3 LYS 15 10.423 -7.581 8.136 129 HD2 LYS 15 HD2 LYS 15 10.313 -9.029 6.415 130 HD3 LYS 15 HD3 LYS 15 11.563 -8.001 5.713 131 HE2 LYS 15 HE2 LYS 15 12.298 -10.260 5.521 132 HE3 LYS 15 HE3 LYS 15 13.267 -9.492 6.778 133 HZ1 LYS 15 HZ1 LYS 15 12.239 -10.684 8.428 134 HZ2 LYS 15 HZ2 LYS 15 12.247 -11.824 7.178 135 HZ3 LYS 15 HZ3 LYS 15 10.834 -10.962 7.527 136 H PHE 16 H PHE 16 12.919 -3.815 7.291 137 HA PHE 16 HA PHE 16 15.632 -3.641 7.934 138 HB2 PHE 16 HB2 PHE 16 13.708 -1.707 6.664 139 HB3 PHE 16 HB3 PHE 16 15.393 -1.274 6.935 140 HD1 PHE 16 HD2 PHE 16 16.883 -3.623 6.278 141 HD2 PHE 16 HD1 PHE 16 13.377 -2.076 4.425 142 HE1 PHE 16 HE2 PHE 16 17.507 -4.737 4.176 143 HE2 PHE 16 HE1 PHE 16 13.996 -3.189 2.319 144 HZ PHE 16 HZ PHE 16 16.063 -4.521 2.192 145 H THR 17 H THR 17 12.826 -2.202 9.420 146 HA THR 17 HA THR 17 14.028 -0.140 10.869 147 HB THR 17 HB THR 17 11.655 -1.843 11.654 148 HG1 THR 17 HG1 THR 17 10.568 0.135 10.831 149 HG21 THR 17 HG21 THR 17 11.115 0.424 12.867 150 HG22 THR 17 HG22 THR 17 12.868 0.618 12.832 151 HG23 THR 17 HG23 THR 17 12.151 -0.777 13.637 152 H ALA 18 H ALA 18 14.203 -3.549 11.277 153 HA ALA 18 HA ALA 18 14.953 -3.487 14.057 154 HB1 ALA 18 HB1 ALA 18 14.096 -5.453 12.270 155 HB2 ALA 18 HB2 ALA 18 15.748 -5.898 12.700 156 HB3 ALA 18 HB3 ALA 18 14.540 -5.667 13.964 157 H LEU 19 H LEU 19 16.518 -2.662 11.240 158 HA LEU 19 HA LEU 19 19.162 -3.436 12.258 159 HB2 LEU 19 HB2 LEU 19 18.344 -2.419 9.541 160 HB3 LEU 19 HB3 LEU 19 19.981 -2.869 10.011 161 HG LEU 19 HG LEU 19 17.602 -4.680 9.654 162 HD11 LEU 19 HD11 LEU 19 18.512 -4.424 7.567 163 HD12 LEU 19 HD12 LEU 19 19.458 -5.784 8.170 164 HD13 LEU 19 HD13 LEU 19 20.142 -4.159 8.187 165 HD21 LEU 19 HD21 LEU 19 20.274 -5.215 10.925 166 HD22 LEU 19 HD22 LEU 19 19.271 -6.493 10.240 167 HD23 LEU 19 HD23 LEU 19 18.667 -5.522 11.584 168 H GLY 20 H GLY 20 17.063 -0.877 12.321 169 HA2 GLY 20 HA2 GLY 20 18.845 0.903 13.516 170 HA3 GLY 20 HA3 GLY 20 18.760 1.329 11.814 171 HA PRO 21 HA PRO 21 15.439 3.754 13.816 172 HB2 PRO 21 HB2 PRO 21 15.668 5.858 12.117 173 HB3 PRO 21 HB3 PRO 21 16.694 5.659 13.542 174 HG2 PRO 21 HG2 PRO 21 17.283 5.016 10.678 175 HG3 PRO 21 HG3 PRO 21 18.321 5.795 11.886 176 HD2 PRO 21 HD2 PRO 21 18.564 3.180 11.227 177 HD3 PRO 21 HD3 PRO 21 18.911 3.789 12.858 178 H TYR 22 H TYR 22 13.456 4.714 12.846 179 HA TYR 22 HA TYR 22 12.192 2.898 11.119 180 HB2 TYR 22 HB2 TYR 22 11.443 5.680 12.015 181 HB3 TYR 22 HB3 TYR 22 10.397 4.697 10.995 182 HD1 TYR 22 HD1 TYR 22 11.919 4.989 14.338 183 HD2 TYR 22 HD2 TYR 22 9.152 2.864 11.902 184 HE1 TYR 22 HE1 TYR 22 10.995 3.905 16.343 185 HE2 TYR 22 HE2 TYR 22 8.220 1.775 13.901 186 HH TYR 22 HH TYR 22 8.595 1.350 16.111 187 H ILE 23 H ILE 23 11.979 2.794 8.967 188 HA ILE 23 HA ILE 23 13.573 4.532 7.325 189 HB ILE 23 HB ILE 23 11.690 2.301 6.551 190 HG12 ILE 23 HG12 ILE 23 14.054 1.268 6.021 191 HG13 ILE 23 HG13 ILE 23 14.608 2.443 7.209 192 HG21 ILE 23 HG21 ILE 23 13.355 4.167 4.967 193 HG22 ILE 23 HG22 ILE 23 13.345 2.477 4.469 194 HG23 ILE 23 HG23 ILE 23 11.832 3.378 4.559 195 HD11 ILE 23 HD11 ILE 23 12.378 0.535 7.808 196 HD12 ILE 23 HD12 ILE 23 14.073 0.094 8.023 197 HD13 ILE 23 HD13 ILE 23 13.391 1.444 8.930 198 H ARG 24 H ARG 24 12.893 6.008 5.806 199 HA ARG 24 HA ARG 24 10.310 7.202 6.289 200 HB2 ARG 24 HB2 ARG 24 12.556 8.410 5.830 201 HB3 ARG 24 HB3 ARG 24 12.225 8.061 4.139 202 HG2 ARG 24 HG2 ARG 24 9.890 9.152 4.765 203 HG3 ARG 24 HG3 ARG 24 10.886 9.945 5.988 204 HD2 ARG 24 HD2 ARG 24 10.844 11.355 4.066 205 HD3 ARG 24 HD3 ARG 24 12.446 10.624 4.157 206 HE ARG 24 HE ARG 24 10.917 8.993 2.523 207 HH11 ARG 24 HH11 ARG 24 12.070 12.277 2.530 208 HH12 ARG 24 HH12 ARG 24 12.139 12.395 0.803 209 HH21 ARG 24 HH21 ARG 24 11.004 9.135 0.248 210 HH22 ARG 24 HH22 ARG 24 11.531 10.607 -0.494 211 H GLU 25 H GLU 25 8.739 5.853 5.489 212 HA GLU 25 HA GLU 25 8.758 4.404 3.139 213 HB2 GLU 25 HB2 GLU 25 6.637 5.525 4.887 214 HB3 GLU 25 HB3 GLU 25 6.146 5.011 3.279 215 HG2 GLU 25 HG2 GLU 25 7.809 3.133 4.847 216 HG3 GLU 25 HG3 GLU 25 6.146 3.382 5.377 217 H GLY 26 H GLY 26 7.503 4.796 1.136 218 HA2 GLY 26 HA2 GLY 26 7.935 7.568 0.230 219 HA3 GLY 26 HA3 GLY 26 7.961 6.152 -0.810 220 H GLN 27 H GLN 27 6.486 7.801 -1.959 221 HA GLN 27 HA GLN 27 3.712 7.313 -1.092 222 HB2 GLN 27 HB2 GLN 27 4.910 9.719 -2.461 223 HB3 GLN 27 HB3 GLN 27 3.177 9.433 -2.376 224 HG2 GLN 27 HG2 GLN 27 3.067 9.877 -0.142 225 HG3 GLN 27 HG3 GLN 27 4.735 9.385 0.151 226 HE21 GLN 27 HE21 GLN 27 6.420 10.825 -0.693 227 HE22 GLN 27 HE22 GLN 27 6.128 12.527 -0.686 228 H CYS 28 H CYS 28 4.977 5.421 -2.615 229 HA CYS 28 HA CYS 28 4.772 4.188 -4.515 230 HB2 CYS 28 HB2 CYS 28 2.285 5.871 -4.601 231 HB3 CYS 28 HB3 CYS 28 2.655 4.758 -5.912 232 HG CYS 28 HG CYS 28 2.448 3.734 -2.659 233 H GLU 29 H GLU 29 6.550 6.326 -4.661 234 HA GLU 29 HA GLU 29 6.188 7.296 -7.418 235 HB2 GLU 29 HB2 GLU 29 6.351 9.126 -5.848 236 HB3 GLU 29 HB3 GLU 29 7.809 8.443 -5.141 237 HG2 GLU 29 HG2 GLU 29 9.007 8.812 -7.229 238 HG3 GLU 29 HG3 GLU 29 7.545 9.477 -7.956 239 H ASP 30 H ASP 30 8.436 5.800 -5.160 240 HA ASP 30 HA ASP 30 9.998 4.842 -7.454 241 HB2 ASP 30 HB2 ASP 30 11.040 6.221 -4.991 242 HB3 ASP 30 HB3 ASP 30 12.050 5.104 -5.905 243 H ASN 31 H ASN 31 11.204 2.890 -7.039 244 HA ASN 31 HA ASN 31 9.900 1.234 -4.997 245 HB2 ASN 31 HB2 ASN 31 11.407 0.489 -7.511 246 HB3 ASN 31 HB3 ASN 31 10.799 -0.683 -6.345 247 HD21 ASN 31 HD21 ASN 31 8.364 0.243 -5.707 248 HD22 ASN 31 HD22 ASN 31 7.340 0.281 -7.098 249 H ARG 32 H ARG 32 12.153 3.115 -4.524 250 HA ARG 32 HA ARG 32 14.211 1.194 -3.665 251 HB2 ARG 32 HB2 ARG 32 14.427 4.175 -4.125 252 HB3 ARG 32 HB3 ARG 32 15.730 3.146 -3.544 253 HG2 ARG 32 HG2 ARG 32 15.735 1.917 -5.627 254 HG3 ARG 32 HG3 ARG 32 14.358 2.855 -6.208 255 HD2 ARG 32 HD2 ARG 32 16.967 4.117 -5.402 256 HD3 ARG 32 HD3 ARG 32 16.646 3.560 -7.044 257 HE ARG 32 HE ARG 32 14.632 5.332 -6.022 258 HH11 ARG 32 HH11 ARG 32 17.723 5.134 -7.611 259 HH12 ARG 32 HH12 ARG 32 17.584 6.689 -8.361 260 HH21 ARG 32 HH21 ARG 32 14.437 7.382 -7.004 261 HH22 ARG 32 HH22 ARG 32 15.715 7.967 -8.015 262 H PHE 33 H PHE 33 15.277 1.662 -1.593 263 HA PHE 33 HA PHE 33 13.335 2.706 0.355 264 HB2 PHE 33 HB2 PHE 33 15.543 0.666 0.678 265 HB3 PHE 33 HB3 PHE 33 14.580 1.295 2.011 266 HD1 PHE 33 HD1 PHE 33 12.130 0.841 2.070 267 HD2 PHE 33 HD2 PHE 33 14.730 -1.040 -0.727 268 HE1 PHE 33 HE1 PHE 33 10.429 -0.887 1.656 269 HE2 PHE 33 HE2 PHE 33 13.032 -2.770 -1.146 270 HZ PHE 33 HZ PHE 33 10.878 -2.695 0.045 271 H PHE 34 H PHE 34 13.903 4.270 1.782 272 HA PHE 34 HA PHE 34 16.491 5.561 1.333 273 HB2 PHE 34 HB2 PHE 34 13.817 6.476 2.248 274 HB3 PHE 34 HB3 PHE 34 15.215 7.306 2.922 275 HD1 PHE 34 HD2 PHE 34 17.083 7.701 0.911 276 HD2 PHE 34 HD1 PHE 34 12.846 7.601 0.516 277 HE1 PHE 34 HE2 PHE 34 17.243 9.080 -1.121 278 HE2 PHE 34 HE1 PHE 34 12.999 8.979 -1.517 279 HZ PHE 34 HZ PHE 34 15.200 9.721 -2.337 280 H PHE 35 H PHE 35 17.862 6.150 3.040 281 HA PHE 35 HA PHE 35 17.266 5.185 5.715 282 HB2 PHE 35 HB2 PHE 35 19.545 4.109 4.051 283 HB3 PHE 35 HB3 PHE 35 19.479 3.963 5.804 284 HD1 PHE 35 HD1 PHE 35 17.468 2.764 6.815 285 HD2 PHE 35 HD2 PHE 35 18.492 2.550 2.689 286 HE1 PHE 35 HE1 PHE 35 16.129 0.712 6.593 287 HE2 PHE 35 HE2 PHE 35 17.153 0.497 2.460 288 HZ PHE 35 HZ PHE 35 15.971 -0.425 4.414 289 H ASP 36 H ASP 36 18.499 6.158 7.326 290 HA ASP 36 HA ASP 36 19.925 8.560 6.456 291 HB2 ASP 36 HB2 ASP 36 19.727 9.229 8.862 292 HB3 ASP 36 HB3 ASP 36 18.180 8.976 8.058 293 H CYS 37 H CYS 37 22.048 8.379 6.223 294 HA CYS 37 HA CYS 37 23.519 6.547 7.990 295 HB2 CYS 37 HB2 CYS 37 23.577 6.804 5.228 296 HB3 CYS 37 HB3 CYS 37 25.029 7.650 5.751 297 HG CYS 37 HG CYS 37 24.789 4.792 7.362 298 H LEU 38 H LEU 38 24.076 7.708 9.752 299 HA LEU 38 HA LEU 38 25.403 10.300 9.321 300 HB2 LEU 38 HB2 LEU 38 23.993 9.204 11.747 301 HB3 LEU 38 HB3 LEU 38 24.894 10.719 11.723 302 HG LEU 38 HG LEU 38 22.353 10.082 10.231 303 HD11 LEU 38 HD11 LEU 38 22.920 12.189 12.306 304 HD12 LEU 38 HD12 LEU 38 22.191 10.623 12.660 305 HD13 LEU 38 HD13 LEU 38 21.359 11.764 11.603 306 HD21 LEU 38 HD21 LEU 38 22.467 12.378 9.391 307 HD22 LEU 38 HD22 LEU 38 23.823 11.410 8.814 308 HD23 LEU 38 HD23 LEU 38 24.060 12.567 10.124 309 H ALA 39 H ALA 39 27.531 10.310 9.549 310 HA ALA 39 HA ALA 39 28.764 8.339 11.363 311 HB1 ALA 39 HB1 ALA 39 29.983 7.583 9.674 312 HB2 ALA 39 HB2 ALA 39 29.194 8.722 8.583 313 HB3 ALA 39 HB3 ALA 39 30.662 9.193 9.439 314 H VAL 40 H VAL 40 29.272 11.506 9.812 315 HA VAL 40 HA VAL 40 30.287 12.548 12.338 316 HB VAL 40 HB VAL 40 31.878 12.812 9.783 317 HG11 VAL 40 HG11 VAL 40 33.579 13.791 11.360 318 HG12 VAL 40 HG12 VAL 40 32.145 14.781 11.083 319 HG13 VAL 40 HG13 VAL 40 32.303 13.853 12.575 320 HG21 VAL 40 HG21 VAL 40 32.330 11.131 12.240 321 HG22 VAL 40 HG22 VAL 40 32.158 10.583 10.573 322 HG23 VAL 40 HG23 VAL 40 33.591 11.489 11.059 323 H CYS 41 H CYS 41 29.976 14.734 12.603 324 HA CYS 41 HA CYS 41 28.033 15.952 10.885 325 HB2 CYS 41 HB2 CYS 41 28.173 17.852 12.461 326 HB3 CYS 41 HB3 CYS 41 27.930 16.318 13.288 327 HG CYS 41 HG CYS 41 29.631 17.604 14.944 328 H VAL 42 H VAL 42 28.295 17.490 9.364 329 HA VAL 42 HA VAL 42 30.822 17.884 8.181 330 HB VAL 42 HB VAL 42 28.277 19.469 7.804 331 HG11 VAL 42 HG11 VAL 42 29.681 20.884 6.753 332 HG12 VAL 42 HG12 VAL 42 30.955 19.673 6.597 333 HG13 VAL 42 HG13 VAL 42 29.603 19.684 5.463 334 HG21 VAL 42 HG21 VAL 42 27.526 17.828 6.495 335 HG22 VAL 42 HG22 VAL 42 29.076 17.676 5.667 336 HG23 VAL 42 HG23 VAL 42 28.799 16.822 7.185 337 H ASN 43 H ASN 43 28.763 20.112 10.050 338 HA ASN 43 HA ASN 43 30.937 21.325 11.376 339 HB2 ASN 43 HB2 ASN 43 30.155 22.473 8.784 340 HB3 ASN 43 HB3 ASN 43 30.207 23.638 10.104 341 HD21 ASN 43 HD21 ASN 43 31.964 22.328 7.699 342 HD22 ASN 43 HD22 ASN 43 33.557 22.561 8.326 343 H VAL 44 H VAL 44 30.255 23.202 12.689 344 HA VAL 44 HA VAL 44 27.338 23.277 13.098 345 HB VAL 44 HB VAL 44 28.540 21.903 14.834 346 HG11 VAL 44 HG11 VAL 44 30.487 23.644 14.819 347 HG12 VAL 44 HG12 VAL 44 29.500 24.463 16.030 348 HG13 VAL 44 HG13 VAL 44 30.053 22.812 16.312 349 HG21 VAL 44 HG21 VAL 44 26.502 23.821 15.103 350 HG22 VAL 44 HG22 VAL 44 26.789 22.401 16.109 351 HG23 VAL 44 HG23 VAL 44 27.504 23.951 16.549 352 H LYS 45 H LYS 45 29.942 25.011 12.205 353 HA LYS 45 HA LYS 45 29.984 27.346 13.667 354 HB2 LYS 45 HB2 LYS 45 30.752 26.526 10.983 355 HB3 LYS 45 HB3 LYS 45 30.235 28.206 11.033 356 HG2 LYS 45 HG2 LYS 45 31.952 28.834 12.438 357 HG3 LYS 45 HG3 LYS 45 32.189 27.195 13.051 358 HD2 LYS 45 HD2 LYS 45 33.996 27.327 11.668 359 HD3 LYS 45 HD3 LYS 45 32.802 26.744 10.506 360 HE2 LYS 45 HE2 LYS 45 34.014 28.567 9.520 361 HE3 LYS 45 HE3 LYS 45 32.366 29.098 9.853 362 HZ1 LYS 45 HZ1 LYS 45 34.080 29.619 12.060 363 HZ2 LYS 45 HZ2 LYS 45 33.118 30.692 11.176 364 HZ3 LYS 45 HZ3 LYS 45 34.686 30.334 10.651 365 HA PRO 46 HA PRO 46 26.444 29.152 10.918 366 HB2 PRO 46 HB2 PRO 46 25.096 27.414 9.327 367 HB3 PRO 46 HB3 PRO 46 26.538 28.285 8.793 368 HG2 PRO 46 HG2 PRO 46 26.283 25.473 9.788 369 HG3 PRO 46 HG3 PRO 46 27.226 26.095 8.421 370 HD2 PRO 46 HD2 PRO 46 28.343 25.522 10.820 371 HD3 PRO 46 HD3 PRO 46 28.943 26.825 9.774 372 H ALA 47 H ALA 47 23.960 28.841 10.829 373 HA ALA 47 HA ALA 47 22.995 28.273 13.350 374 HB1 ALA 47 HB1 ALA 47 21.476 29.510 12.215 375 HB2 ALA 47 HB2 ALA 47 21.764 28.669 10.691 376 HB3 ALA 47 HB3 ALA 47 20.756 27.924 11.932 377 HA PRO 48 HA PRO 48 22.491 23.931 13.730 378 HB2 PRO 48 HB2 PRO 48 20.116 23.734 15.030 379 HB3 PRO 48 HB3 PRO 48 21.593 24.315 15.809 380 HG2 PRO 48 HG2 PRO 48 19.307 25.881 14.677 381 HG3 PRO 48 HG3 PRO 48 20.191 26.130 16.194 382 HD2 PRO 48 HD2 PRO 48 20.673 27.596 13.969 383 HD3 PRO 48 HD3 PRO 48 21.943 27.197 15.144 384 H GLU 49 H GLU 49 19.956 25.753 12.173 385 HA GLU 49 HA GLU 49 18.560 23.435 11.185 386 HB2 GLU 49 HB2 GLU 49 18.224 26.159 9.997 387 HB3 GLU 49 HB3 GLU 49 17.020 24.908 10.274 388 HG2 GLU 49 HG2 GLU 49 17.715 25.454 12.812 389 HG3 GLU 49 HG3 GLU 49 18.002 27.025 12.066 390 H LYS 50 H LYS 50 21.158 25.465 10.136 391 HA LYS 50 HA LYS 50 21.043 24.396 7.415 392 HB2 LYS 50 HB2 LYS 50 23.089 26.350 8.436 393 HB3 LYS 50 HB3 LYS 50 22.540 26.101 6.784 394 HG2 LYS 50 HG2 LYS 50 20.398 27.093 7.309 395 HG3 LYS 50 HG3 LYS 50 20.868 27.266 9.002 396 HD2 LYS 50 HD2 LYS 50 21.154 29.390 7.944 397 HD3 LYS 50 HD3 LYS 50 22.759 28.718 8.242 398 HE2 LYS 50 HE2 LYS 50 22.964 28.048 5.945 399 HE3 LYS 50 HE3 LYS 50 21.293 28.503 5.616 400 HZ1 LYS 50 HZ1 LYS 50 23.659 30.160 5.794 401 HZ2 LYS 50 HZ2 LYS 50 22.293 30.795 6.563 402 HZ3 LYS 50 HZ3 LYS 50 22.231 30.401 4.919 403 H ARG 51 H ARG 51 21.921 22.995 10.012 404 HA ARG 51 HA ARG 51 24.705 22.438 9.646 405 HB2 ARG 51 HB2 ARG 51 24.492 20.929 11.459 406 HB3 ARG 51 HB3 ARG 51 23.424 22.277 11.827 407 HG2 ARG 51 HG2 ARG 51 21.502 20.983 11.106 408 HG3 ARG 51 HG3 ARG 51 22.556 19.639 10.662 409 HD2 ARG 51 HD2 ARG 51 21.391 19.451 12.898 410 HD3 ARG 51 HD3 ARG 51 23.140 19.227 12.912 411 HE ARG 51 HE ARG 51 22.316 21.927 13.450 412 HH11 ARG 51 HH11 ARG 51 22.933 18.791 14.830 413 HH12 ARG 51 HH12 ARG 51 23.243 19.407 16.420 414 HH21 ARG 51 HH21 ARG 51 22.722 22.751 15.538 415 HH22 ARG 51 HH22 ARG 51 23.122 21.660 16.821 416 H GLU 52 H GLU 52 25.630 20.422 9.020 417 HA GLU 52 HA GLU 52 23.892 18.650 7.459 418 HB2 GLU 52 HB2 GLU 52 26.429 19.960 6.482 419 HB3 GLU 52 HB3 GLU 52 25.701 18.567 5.696 420 HG2 GLU 52 HG2 GLU 52 23.576 20.029 5.591 421 HG3 GLU 52 HG3 GLU 52 24.684 21.369 5.886 422 H PHE 53 H PHE 53 24.810 16.543 7.048 423 HA PHE 53 HA PHE 53 27.024 15.838 8.853 424 HB2 PHE 53 HB2 PHE 53 24.607 14.084 8.418 425 HB3 PHE 53 HB3 PHE 53 25.885 13.884 9.613 426 HD1 PHE 53 HD2 PHE 53 26.110 16.559 10.752 427 HD2 PHE 53 HD1 PHE 53 22.652 14.353 9.615 428 HE1 PHE 53 HE2 PHE 53 24.773 17.816 12.391 429 HE2 PHE 53 HE1 PHE 53 21.309 15.607 11.252 430 HZ PHE 53 HZ PHE 53 22.370 17.341 12.643 431 H TRP 54 H TRP 54 27.935 13.636 8.332 432 HA TRP 54 HA TRP 54 28.131 13.375 5.413 433 HB2 TRP 54 HB2 TRP 54 30.011 12.567 7.635 434 HB3 TRP 54 HB3 TRP 54 30.246 12.098 5.954 435 HD1 TRP 54 HD1 TRP 54 31.360 14.627 8.288 436 HE1 TRP 54 HE1 TRP 54 32.274 16.706 7.077 437 HE3 TRP 54 HE3 TRP 54 29.515 13.715 3.609 438 HZ2 TRP 54 HZ2 TRP 54 32.219 17.813 4.480 439 HZ3 TRP 54 HZ3 TRP 54 29.991 15.333 1.817 440 HH2 TRP 54 HH2 TRP 54 31.314 17.340 2.246 441 H GLY 55 H GLY 55 28.377 11.193 4.519 442 HA2 GLY 55 HA2 GLY 55 27.978 8.793 5.758 443 HA3 GLY 55 HA3 GLY 55 26.356 9.444 5.573 444 H TRP 56 H TRP 56 26.373 7.289 4.315 445 HA TRP 56 HA TRP 56 26.830 7.963 1.494 446 HB2 TRP 56 HB2 TRP 56 27.631 5.689 1.043 447 HB3 TRP 56 HB3 TRP 56 28.674 6.506 2.203 448 HD1 TRP 56 HD1 TRP 56 28.505 5.673 4.788 449 HE1 TRP 56 HE1 TRP 56 27.822 3.394 5.770 450 HE3 TRP 56 HE3 TRP 56 26.123 3.715 0.711 451 HZ2 TRP 56 HZ2 TRP 56 26.454 1.074 4.927 452 HZ3 TRP 56 HZ3 TRP 56 25.155 1.460 0.881 453 HH2 TRP 56 HH2 TRP 56 25.318 0.168 2.946 454 H TRP 57 H TRP 57 25.058 7.700 0.310 455 HA TRP 57 HA TRP 57 22.657 6.682 1.431 456 HB2 TRP 57 HB2 TRP 57 23.161 7.169 -1.504 457 HB3 TRP 57 HB3 TRP 57 21.627 7.243 -0.642 458 HD1 TRP 57 HD1 TRP 57 22.226 9.178 1.687 459 HE1 TRP 57 HE1 TRP 57 22.810 11.648 1.260 460 HE3 TRP 57 HE3 TRP 57 23.815 8.811 -3.158 461 HZ2 TRP 57 HZ2 TRP 57 23.812 13.232 -0.851 462 HZ3 TRP 57 HZ3 TRP 57 24.570 10.850 -4.310 463 HH2 TRP 57 HH2 TRP 57 24.567 13.014 -3.179 464 H MET 58 H MET 58 21.677 4.739 1.236 465 HA MET 58 HA MET 58 23.101 2.677 -0.315 466 HB2 MET 58 HB2 MET 58 23.025 2.533 2.266 467 HB3 MET 58 HB3 MET 58 21.340 2.080 2.047 468 HG2 MET 58 HG2 MET 58 23.260 0.587 0.403 469 HG3 MET 58 HG3 MET 58 23.395 0.336 2.141 470 HE1 MET 58 HE1 MET 58 21.100 -0.450 3.656 471 HE2 MET 58 HE2 MET 58 20.729 -2.040 2.988 472 HE3 MET 58 HE3 MET 58 22.407 -1.517 3.143 473 H GLU 59 H GLU 59 22.018 2.181 -2.101 474 HA GLU 59 HA GLU 59 19.074 2.149 -1.996 475 HB2 GLU 59 HB2 GLU 59 19.264 2.378 -4.528 476 HB3 GLU 59 HB3 GLU 59 19.689 3.790 -3.571 477 HG2 GLU 59 HG2 GLU 59 22.068 3.193 -3.802 478 HG3 GLU 59 HG3 GLU 59 21.604 1.842 -4.834 479 H LEU 60 H LEU 60 18.126 0.234 -2.160 480 HA LEU 60 HA LEU 60 19.559 -1.941 -3.533 481 HB2 LEU 60 HB2 LEU 60 18.676 -3.513 -1.884 482 HB3 LEU 60 HB3 LEU 60 19.722 -2.302 -1.147 483 HG LEU 60 HG LEU 60 16.778 -1.848 -1.110 484 HD11 LEU 60 HD11 LEU 60 17.744 -4.268 -0.259 485 HD12 LEU 60 HD12 LEU 60 16.266 -3.492 0.308 486 HD13 LEU 60 HD13 LEU 60 17.767 -3.300 1.215 487 HD21 LEU 60 HD21 LEU 60 18.443 -1.418 1.264 488 HD22 LEU 60 HD22 LEU 60 17.278 -0.349 0.483 489 HD23 LEU 60 HD23 LEU 60 18.920 -0.475 -0.148 490 H GLU 61 H GLU 61 18.302 -3.409 -4.685 491 HA GLU 61 HA GLU 61 15.456 -2.705 -4.969 492 HB2 GLU 61 HB2 GLU 61 17.205 -2.119 -6.883 493 HB3 GLU 61 HB3 GLU 61 16.945 -3.806 -7.303 494 HG2 GLU 61 HG2 GLU 61 14.519 -3.362 -7.429 495 HG3 GLU 61 HG3 GLU 61 14.847 -1.658 -7.118 496 H ALA 62 H ALA 62 14.304 -4.331 -4.173 497 HA ALA 62 HA ALA 62 15.187 -6.922 -3.693 498 HB1 ALA 62 HB1 ALA 62 13.160 -7.239 -2.792 499 HB2 ALA 62 HB2 ALA 62 12.933 -5.517 -3.101 500 HB3 ALA 62 HB3 ALA 62 12.319 -6.707 -4.249 501 H GLN 63 H GLN 63 15.886 -8.342 -5.146 502 HA GLN 63 HA GLN 63 15.033 -8.279 -7.885 503 HB2 GLN 63 HB2 GLN 63 17.309 -9.099 -6.675 504 HB3 GLN 63 HB3 GLN 63 16.501 -10.646 -6.893 505 HG2 GLN 63 HG2 GLN 63 18.048 -10.017 -8.733 506 HG3 GLN 63 HG3 GLN 63 16.395 -10.350 -9.249 507 HE21 GLN 63 HE21 GLN 63 15.279 -8.815 -10.296 508 HE22 GLN 63 HE22 GLN 63 15.865 -7.222 -10.622 509 H GLU 64 H GLU 64 14.507 -10.525 -8.913 510 HA GLU 64 HA GLU 64 11.942 -11.242 -8.254 511 HB2 GLU 64 HB2 GLU 64 13.548 -11.899 -10.272 512 HB3 GLU 64 HB3 GLU 64 13.712 -13.379 -9.338 513 HG2 GLU 64 HG2 GLU 64 11.301 -13.698 -9.391 514 HG3 GLU 64 HG3 GLU 64 11.115 -12.198 -10.298 515 H LYS 65 H LYS 65 14.935 -12.883 -7.259 516 HA LYS 65 HA LYS 65 13.542 -13.893 -4.899 517 HB2 LYS 65 HB2 LYS 65 14.175 -16.154 -5.219 518 HB3 LYS 65 HB3 LYS 65 13.468 -15.633 -6.742 519 HG2 LYS 65 HG2 LYS 65 16.424 -15.737 -6.185 520 HG3 LYS 65 HG3 LYS 65 15.509 -17.006 -7.003 521 HD2 LYS 65 HD2 LYS 65 14.758 -14.859 -8.454 522 HD3 LYS 65 HD3 LYS 65 16.384 -14.363 -7.980 523 HE2 LYS 65 HE2 LYS 65 16.489 -15.522 -10.090 524 HE3 LYS 65 HE3 LYS 65 17.248 -16.512 -8.844 525 HZ1 LYS 65 HZ1 LYS 65 15.306 -17.324 -10.572 526 HZ2 LYS 65 HZ2 LYS 65 14.456 -17.066 -9.132 527 HZ3 LYS 65 HZ3 LYS 65 15.773 -18.128 -9.159 528 H ARG 66 H ARG 66 15.730 -11.933 -5.660 529 HA ARG 66 HA ARG 66 17.610 -12.803 -3.598 530 HB2 ARG 66 HB2 ARG 66 18.297 -12.142 -6.438 531 HB3 ARG 66 HB3 ARG 66 19.443 -11.768 -5.158 532 HG2 ARG 66 HG2 ARG 66 19.763 -14.008 -4.619 533 HG3 ARG 66 HG3 ARG 66 18.276 -14.510 -5.425 534 HD2 ARG 66 HD2 ARG 66 20.771 -13.481 -6.770 535 HD3 ARG 66 HD3 ARG 66 20.236 -15.160 -6.720 536 HE ARG 66 HE ARG 66 18.210 -13.542 -7.829 537 HH11 ARG 66 HH11 ARG 66 21.346 -14.857 -8.572 538 HH12 ARG 66 HH12 ARG 66 21.072 -14.889 -10.283 539 HH21 ARG 66 HH21 ARG 66 17.837 -13.579 -10.079 540 HH22 ARG 66 HH22 ARG 66 19.076 -14.161 -11.138 541 H PHE 67 H PHE 67 19.300 -10.846 -3.352 542 HA PHE 67 HA PHE 67 17.835 -8.308 -3.480 543 HB2 PHE 67 HB2 PHE 67 18.523 -9.799 -1.075 544 HB3 PHE 67 HB3 PHE 67 19.201 -8.175 -1.062 545 HD1 PHE 67 HD1 PHE 67 15.982 -9.852 -1.937 546 HD2 PHE 67 HD2 PHE 67 17.923 -6.532 -0.113 547 HE1 PHE 67 HE1 PHE 67 13.796 -8.951 -1.259 548 HE2 PHE 67 HE2 PHE 67 15.740 -5.626 0.569 549 HZ PHE 67 HZ PHE 67 13.672 -6.835 -0.005 550 H THR 68 H THR 68 19.103 -6.480 -3.683 551 HA THR 68 HA THR 68 22.011 -6.813 -3.702 552 HB THR 68 HB THR 68 21.373 -7.194 -6.016 553 HG1 THR 68 HG1 THR 68 22.350 -4.533 -5.888 554 HG21 THR 68 HG21 THR 68 19.939 -4.551 -5.758 555 HG22 THR 68 HG22 THR 68 19.232 -6.124 -6.128 556 HG23 THR 68 HG23 THR 68 20.288 -5.334 -7.299 557 H TYR 69 H TYR 69 23.139 -5.014 -3.110 558 HA TYR 69 HA TYR 69 21.594 -2.548 -2.657 559 HB2 TYR 69 HB2 TYR 69 22.650 -2.207 -0.544 560 HB3 TYR 69 HB3 TYR 69 22.047 -3.861 -0.548 561 HD1 TYR 69 HD1 TYR 69 23.818 -5.653 -1.399 562 HD2 TYR 69 HD2 TYR 69 24.799 -1.839 0.211 563 HE1 TYR 69 HE1 TYR 69 26.065 -6.477 -0.831 564 HE2 TYR 69 HE2 TYR 69 27.048 -2.652 0.782 565 HH TYR 69 HH TYR 69 28.363 -4.467 0.950 566 H ARG 70 H ARG 70 23.151 -0.655 -2.204 567 HA ARG 70 HA ARG 70 25.645 -0.865 -3.708 568 HB2 ARG 70 HB2 ARG 70 23.551 1.221 -4.342 569 HB3 ARG 70 HB3 ARG 70 25.128 1.060 -5.102 570 HG2 ARG 70 HG2 ARG 70 24.490 -1.035 -6.099 571 HG3 ARG 70 HG3 ARG 70 22.950 -1.013 -5.237 572 HD2 ARG 70 HD2 ARG 70 22.758 1.342 -6.462 573 HD3 ARG 70 HD3 ARG 70 23.834 0.540 -7.605 574 HE ARG 70 HE ARG 70 21.735 -1.205 -7.087 575 HH11 ARG 70 HH11 ARG 70 22.211 1.940 -8.503 576 HH12 ARG 70 HH12 ARG 70 20.866 1.799 -9.586 577 HH21 ARG 70 HH21 ARG 70 19.963 -1.402 -8.508 578 HH22 ARG 70 HH22 ARG 70 19.587 -0.102 -9.588 579 H TYR 71 H TYR 71 27.025 1.048 -3.445 580 HA TYR 71 HA TYR 71 26.403 2.574 -1.005 581 HB2 TYR 71 HB2 TYR 71 28.896 2.442 -0.508 582 HB3 TYR 71 HB3 TYR 71 27.975 0.961 -0.271 583 HD1 TYR 71 HD1 TYR 71 28.188 -0.900 -1.884 584 HD2 TYR 71 HD2 TYR 71 30.609 2.586 -2.174 585 HE1 TYR 71 HE1 TYR 71 29.731 -2.104 -3.373 586 HE2 TYR 71 HE2 TYR 71 32.159 1.393 -3.666 587 HH TYR 71 HH TYR 71 32.181 -1.916 -4.026 588 H GLN 72 H GLN 72 26.490 4.694 -1.301 589 HA GLN 72 HA GLN 72 28.334 5.787 -3.305 590 HB2 GLN 72 HB2 GLN 72 25.381 6.332 -3.074 591 HB3 GLN 72 HB3 GLN 72 26.475 7.459 -3.864 592 HG2 GLN 72 HG2 GLN 72 26.253 4.576 -4.671 593 HG3 GLN 72 HG3 GLN 72 25.244 5.847 -5.360 594 HE21 GLN 72 HE21 GLN 72 26.564 7.796 -6.126 595 HE22 GLN 72 HE22 GLN 72 27.976 7.429 -7.051 596 H PHE 73 H PHE 73 29.320 7.663 -2.741 597 HA PHE 73 HA PHE 73 28.896 8.581 -0.009 598 HB2 PHE 73 HB2 PHE 73 31.080 9.021 -2.035 599 HB3 PHE 73 HB3 PHE 73 30.991 9.968 -0.554 600 HD1 PHE 73 HD2 PHE 73 30.762 6.378 -1.558 601 HD2 PHE 73 HD1 PHE 73 32.312 9.254 1.170 602 HE1 PHE 73 HE2 PHE 73 31.947 4.590 -0.352 603 HE2 PHE 73 HE1 PHE 73 33.501 7.472 2.379 604 HZ PHE 73 HZ PHE 73 33.320 5.136 1.619 605 H GLY 74 H GLY 74 28.609 10.789 0.537 606 HA2 GLY 74 HA2 GLY 74 28.401 12.957 -1.142 607 HA3 GLY 74 HA3 GLY 74 26.830 12.173 -1.225 608 H LEU 75 H LEU 75 25.976 14.145 -0.318 609 HA LEU 75 HA LEU 75 26.525 14.463 2.555 610 HB2 LEU 75 HB2 LEU 75 26.728 16.381 0.773 611 HB3 LEU 75 HB3 LEU 75 24.979 16.462 0.972 612 HG LEU 75 HG LEU 75 26.078 18.125 2.354 613 HD11 LEU 75 HD11 LEU 75 24.705 17.834 4.121 614 HD12 LEU 75 HD12 LEU 75 25.252 16.184 4.417 615 HD13 LEU 75 HD13 LEU 75 24.086 16.509 3.135 616 HD21 LEU 75 HD21 LEU 75 27.568 17.507 4.163 617 HD22 LEU 75 HD22 LEU 75 28.226 16.957 2.621 618 HD23 LEU 75 HD23 LEU 75 27.450 15.806 3.710 619 H PHE 76 H PHE 76 24.990 13.994 3.997 620 HA PHE 76 HA PHE 76 22.319 13.308 2.980 621 HB2 PHE 76 HB2 PHE 76 23.376 11.438 4.060 622 HB3 PHE 76 HB3 PHE 76 23.797 12.419 5.461 623 HD1 PHE 76 HD1 PHE 76 20.836 11.225 3.546 624 HD2 PHE 76 HD2 PHE 76 22.432 12.385 7.317 625 HE1 PHE 76 HE1 PHE 76 18.732 10.562 4.636 626 HE2 PHE 76 HE2 PHE 76 20.331 11.723 8.414 627 HZ PHE 76 HZ PHE 76 18.478 10.811 7.073 628 H ASP 77 H ASP 77 21.274 15.258 3.040 629 HA ASP 77 HA ASP 77 21.371 16.897 5.432 630 HB2 ASP 77 HB2 ASP 77 20.758 17.326 2.674 631 HB3 ASP 77 HB3 ASP 77 19.366 17.814 3.636 632 H LYS 78 H LYS 78 19.150 17.802 6.159 633 HA LYS 78 HA LYS 78 17.599 15.539 7.051 634 HB2 LYS 78 HB2 LYS 78 16.421 17.139 8.447 635 HB3 LYS 78 HB3 LYS 78 18.155 17.399 8.575 636 HG2 LYS 78 HG2 LYS 78 17.775 19.181 6.734 637 HG3 LYS 78 HG3 LYS 78 16.085 19.086 7.237 638 HD2 LYS 78 HD2 LYS 78 18.341 19.546 9.177 639 HD3 LYS 78 HD3 LYS 78 17.497 20.866 8.363 640 HE2 LYS 78 HE2 LYS 78 16.001 18.763 9.893 641 HE3 LYS 78 HE3 LYS 78 16.701 20.161 10.707 642 HZ1 LYS 78 HZ1 LYS 78 14.341 19.988 9.102 643 HZ2 LYS 78 HZ2 LYS 78 15.368 21.226 8.582 644 HZ3 LYS 78 HZ3 LYS 78 14.821 21.197 10.183 645 H GLU 79 H GLU 79 17.410 17.874 4.546 646 HA GLU 79 HA GLU 79 14.561 17.744 4.193 647 HB2 GLU 79 HB2 GLU 79 16.816 18.883 2.555 648 HB3 GLU 79 HB3 GLU 79 15.164 18.849 1.954 649 HG2 GLU 79 HG2 GLU 79 15.747 20.048 4.622 650 HG3 GLU 79 HG3 GLU 79 16.073 20.963 3.151 651 H GLY 80 H GLY 80 17.082 15.646 3.520 652 HA2 GLY 80 HA2 GLY 80 17.039 13.585 2.478 653 HA3 GLY 80 HA3 GLY 80 15.367 13.893 2.031 654 H ASN 81 H ASN 81 17.635 16.317 1.175 655 HA ASN 81 HA ASN 81 17.140 15.879 -1.618 656 HB2 ASN 81 HB2 ASN 81 18.632 17.861 -1.921 657 HB3 ASN 81 HB3 ASN 81 17.286 18.152 -0.824 658 HD21 ASN 81 HD21 ASN 81 18.220 19.775 0.324 659 HD22 ASN 81 HD22 ASN 81 19.594 19.554 1.349 660 H TRP 82 H TRP 82 18.814 15.641 -3.236 661 HA TRP 82 HA TRP 82 20.946 13.857 -2.303 662 HB2 TRP 82 HB2 TRP 82 21.112 13.239 -4.742 663 HB3 TRP 82 HB3 TRP 82 19.573 12.845 -3.980 664 HD1 TRP 82 HD1 TRP 82 21.106 15.076 -6.655 665 HE1 TRP 82 HE1 TRP 82 19.213 16.166 -8.018 666 HE3 TRP 82 HE3 TRP 82 17.119 13.657 -3.787 667 HZ2 TRP 82 HZ2 TRP 82 16.403 16.394 -7.892 668 HZ3 TRP 82 HZ3 TRP 82 14.862 14.353 -4.477 669 HH2 TRP 82 HH2 TRP 82 14.514 15.693 -6.488 670 H THR 83 H THR 83 22.954 14.587 -2.176 671 HA THR 83 HA THR 83 23.921 16.546 -4.111 672 HB THR 83 HB THR 83 24.114 16.985 -1.124 673 HG1 THR 83 HG1 THR 83 22.889 18.871 -1.644 674 HG21 THR 83 HG21 THR 83 25.510 18.218 -3.454 675 HG22 THR 83 HG22 THR 83 26.124 17.839 -1.844 676 HG23 THR 83 HG23 THR 83 25.080 19.240 -2.084 677 H VAL 84 H VAL 84 25.705 15.690 -4.932 678 HA VAL 84 HA VAL 84 27.282 13.807 -3.363 679 HB VAL 84 HB VAL 84 28.532 13.459 -5.502 680 HG11 VAL 84 HG11 VAL 84 26.123 12.458 -4.706 681 HG12 VAL 84 HG12 VAL 84 25.765 13.012 -6.343 682 HG13 VAL 84 HG13 VAL 84 27.070 11.858 -6.067 683 HG21 VAL 84 HG21 VAL 84 26.621 14.544 -7.300 684 HG22 VAL 84 HG22 VAL 84 27.163 15.837 -6.231 685 HG23 VAL 84 HG23 VAL 84 28.340 14.916 -7.167 686 H VAL 85 H VAL 85 29.012 14.429 -2.265 687 HA VAL 85 HA VAL 85 30.715 16.556 -3.326 688 HB VAL 85 HB VAL 85 30.910 17.415 -0.892 689 HG11 VAL 85 HG11 VAL 85 28.465 17.964 -2.570 690 HG12 VAL 85 HG12 VAL 85 29.046 18.991 -1.257 691 HG13 VAL 85 HG13 VAL 85 30.033 18.760 -2.701 692 HG21 VAL 85 HG21 VAL 85 29.437 15.464 -0.096 693 HG22 VAL 85 HG22 VAL 85 29.132 17.065 0.578 694 HG23 VAL 85 HG23 VAL 85 28.085 16.429 -0.690 695 HA PRO 86 HA PRO 86 33.804 13.632 -2.111 696 HB2 PRO 86 HB2 PRO 86 35.964 15.236 -2.481 697 HB3 PRO 86 HB3 PRO 86 35.068 14.506 -3.819 698 HG2 PRO 86 HG2 PRO 86 34.888 17.280 -2.710 699 HG3 PRO 86 HG3 PRO 86 34.909 16.751 -4.402 700 HD2 PRO 86 HD2 PRO 86 32.624 17.426 -3.116 701 HD3 PRO 86 HD3 PRO 86 32.675 16.186 -4.385 702 H ILE 87 H ILE 87 34.717 13.078 -0.216 703 HA ILE 87 HA ILE 87 34.731 15.073 1.926 704 HB ILE 87 HB ILE 87 35.078 12.081 2.135 705 HG12 ILE 87 HG12 ILE 87 32.680 13.832 2.042 706 HG13 ILE 87 HG13 ILE 87 32.878 12.166 1.510 707 HG21 ILE 87 HG21 ILE 87 34.371 14.037 4.307 708 HG22 ILE 87 HG22 ILE 87 34.822 12.342 4.476 709 HG23 ILE 87 HG23 ILE 87 36.024 13.528 3.969 710 HD11 ILE 87 HD11 ILE 87 31.376 12.135 3.327 711 HD12 ILE 87 HD12 ILE 87 32.911 11.516 3.938 712 HD13 ILE 87 HD13 ILE 87 32.420 13.171 4.300 713 H ASN 88 H ASN 88 36.583 16.115 2.229 714 HA ASN 88 HA ASN 88 39.112 14.762 1.635 715 HB2 ASN 88 HB2 ASN 88 38.428 17.673 2.075 716 HB3 ASN 88 HB3 ASN 88 40.077 17.083 1.887 717 HD21 ASN 88 HD21 ASN 88 40.873 16.961 -0.091 718 HD22 ASN 88 HD22 ASN 88 39.956 17.042 -1.554 719 H GLU 89 H GLU 89 39.316 13.462 3.464 720 HA GLU 89 HA GLU 89 40.729 14.455 5.613 721 HB2 GLU 89 HB2 GLU 89 37.929 14.982 5.874 722 HB3 GLU 89 HB3 GLU 89 38.397 13.807 7.094 723 HG2 GLU 89 HG2 GLU 89 39.402 15.355 8.316 724 HG3 GLU 89 HG3 GLU 89 40.319 15.947 6.932 725 H THR 90 H THR 90 41.912 12.633 5.620 726 HA THR 90 HA THR 90 41.073 10.039 5.176 727 HB THR 90 HB THR 90 43.454 10.773 5.279 728 HG1 THR 90 HG1 THR 90 42.546 8.479 5.668 729 HG21 THR 90 HG21 THR 90 44.574 10.784 7.476 730 HG22 THR 90 HG22 THR 90 43.003 10.623 8.262 731 HG23 THR 90 HG23 THR 90 43.380 12.074 7.333 732 H GLU 91 H GLU 91 40.826 11.965 8.064 733 HA GLU 91 HA GLU 91 40.407 9.865 9.914 734 HB2 GLU 91 HB2 GLU 91 39.442 11.627 11.362 735 HB3 GLU 91 HB3 GLU 91 41.000 12.080 10.685 736 HG2 GLU 91 HG2 GLU 91 39.615 13.257 8.860 737 HG3 GLU 91 HG3 GLU 91 38.278 13.108 9.999 738 H VAL 92 H VAL 92 38.202 11.817 7.951 739 HA VAL 92 HA VAL 92 35.851 10.529 9.001 740 HB VAL 92 HB VAL 92 36.061 12.240 6.523 741 HG11 VAL 92 HG11 VAL 92 33.658 12.755 7.211 742 HG12 VAL 92 HG12 VAL 92 33.976 11.162 6.522 743 HG13 VAL 92 HG13 VAL 92 33.783 11.347 8.266 744 HG21 VAL 92 HG21 VAL 92 35.493 14.140 7.926 745 HG22 VAL 92 HG22 VAL 92 35.495 13.110 9.357 746 HG23 VAL 92 HG23 VAL 92 36.997 13.402 8.479 747 H VAL 93 H VAL 93 37.945 10.160 6.223 748 HA VAL 93 HA VAL 93 36.290 8.574 4.609 749 HB VAL 93 HB VAL 93 38.822 9.573 4.358 750 HG11 VAL 93 HG11 VAL 93 39.100 6.572 4.443 751 HG12 VAL 93 HG12 VAL 93 40.356 7.743 4.038 752 HG13 VAL 93 HG13 VAL 93 39.710 7.672 5.678 753 HG21 VAL 93 HG21 VAL 93 37.272 9.183 2.538 754 HG22 VAL 93 HG22 VAL 93 38.833 8.453 2.161 755 HG23 VAL 93 HG23 VAL 93 37.490 7.440 2.692 756 H GLU 94 H GLU 94 38.310 7.781 7.362 757 HA GLU 94 HA GLU 94 38.231 4.959 7.017 758 HB2 GLU 94 HB2 GLU 94 38.820 6.694 9.415 759 HB3 GLU 94 HB3 GLU 94 38.923 4.939 9.451 760 HG2 GLU 94 HG2 GLU 94 40.410 5.717 7.223 761 HG3 GLU 94 HG3 GLU 94 40.825 6.868 8.493 762 H ARG 95 H ARG 95 36.176 7.289 8.637 763 HA ARG 95 HA ARG 95 34.632 5.385 10.088 764 HB2 ARG 95 HB2 ARG 95 34.753 7.739 10.761 765 HB3 ARG 95 HB3 ARG 95 33.963 8.216 9.265 766 HG2 ARG 95 HG2 ARG 95 32.354 8.261 11.029 767 HG3 ARG 95 HG3 ARG 95 31.972 6.910 9.959 768 HD2 ARG 95 HD2 ARG 95 31.743 6.191 12.243 769 HD3 ARG 95 HD3 ARG 95 33.144 5.395 11.528 770 HE ARG 95 HE ARG 95 33.844 7.802 12.898 771 HH11 ARG 95 HH11 ARG 95 33.105 4.428 13.333 772 HH12 ARG 95 HH12 ARG 95 34.004 4.286 14.807 773 HH21 ARG 95 HH21 ARG 95 35.031 7.629 14.838 774 HH22 ARG 95 HH22 ARG 95 35.098 6.108 15.663 775 H LEU 96 H LEU 96 34.196 7.064 6.998 776 HA LEU 96 HA LEU 96 31.629 6.040 6.432 777 HB2 LEU 96 HB2 LEU 96 33.796 7.343 4.878 778 HB3 LEU 96 HB3 LEU 96 32.543 6.490 3.979 779 HG LEU 96 HG LEU 96 32.166 8.943 4.215 780 HD11 LEU 96 HD11 LEU 96 29.919 7.736 5.690 781 HD12 LEU 96 HD12 LEU 96 30.378 6.935 4.187 782 HD13 LEU 96 HD13 LEU 96 29.934 8.642 4.177 783 HD21 LEU 96 HD21 LEU 96 33.043 9.288 6.437 784 HD22 LEU 96 HD22 LEU 96 31.821 8.217 7.122 785 HD23 LEU 96 HD23 LEU 96 31.342 9.753 6.399 786 H GLU 97 H GLU 97 34.879 4.895 5.636 787 HA GLU 97 HA GLU 97 34.030 2.728 4.012 788 HB2 GLU 97 HB2 GLU 97 36.336 3.775 4.055 789 HB3 GLU 97 HB3 GLU 97 36.618 2.899 5.553 790 HG2 GLU 97 HG2 GLU 97 35.643 1.248 3.338 791 HG3 GLU 97 HG3 GLU 97 37.226 1.980 3.079 792 H TYR 98 H TYR 98 34.819 3.039 7.440 793 HA TYR 98 HA TYR 98 34.582 0.259 8.019 794 HB2 TYR 98 HB2 TYR 98 35.892 1.680 9.475 795 HB3 TYR 98 HB3 TYR 98 34.491 2.689 9.817 796 HD1 TYR 98 HD2 TYR 98 32.650 1.812 11.223 797 HD2 TYR 98 HD1 TYR 98 36.246 -0.384 10.627 798 HE1 TYR 98 HE2 TYR 98 32.104 0.402 13.162 799 HE2 TYR 98 HE1 TYR 98 35.709 -1.801 12.564 800 HH TYR 98 HH TYR 98 32.903 -2.220 13.814 801 H THR 99 H THR 99 32.378 2.996 8.090 802 HA THR 99 HA THR 99 30.260 1.722 9.462 803 HB THR 99 HB THR 99 28.831 3.497 8.286 804 HG1 THR 99 HG1 THR 99 29.999 4.096 6.541 805 HG21 THR 99 HG21 THR 99 30.705 5.215 9.539 806 HG22 THR 99 HG22 THR 99 30.730 3.680 10.405 807 HG23 THR 99 HG23 THR 99 29.213 4.555 10.207 808 H LEU 100 H LEU 100 30.918 2.166 5.997 809 HA LEU 100 HA LEU 100 28.591 0.821 5.104 810 HB2 LEU 100 HB2 LEU 100 29.399 1.118 2.976 811 HB3 LEU 100 HB3 LEU 100 30.220 2.409 3.851 812 HG LEU 100 HG LEU 100 32.122 0.580 4.050 813 HD11 LEU 100 HD11 LEU 100 31.971 -0.401 1.526 814 HD12 LEU 100 HD12 LEU 100 30.281 -0.479 2.026 815 HD13 LEU 100 HD13 LEU 100 31.521 -1.296 2.978 816 HD21 LEU 100 HD21 LEU 100 32.015 2.874 2.851 817 HD22 LEU 100 HD22 LEU 100 31.806 1.911 1.388 818 HD23 LEU 100 HD23 LEU 100 33.254 1.712 2.376 819 H ARG 101 H ARG 101 31.834 -0.242 5.917 820 HA ARG 101 HA ARG 101 31.638 -2.842 4.811 821 HB2 ARG 101 HB2 ARG 101 33.749 -1.605 5.536 822 HB3 ARG 101 HB3 ARG 101 33.337 -2.077 7.179 823 HG2 ARG 101 HG2 ARG 101 33.479 -4.178 5.077 824 HG3 ARG 101 HG3 ARG 101 34.977 -3.513 5.731 825 HD2 ARG 101 HD2 ARG 101 33.951 -3.985 8.033 826 HD3 ARG 101 HD3 ARG 101 32.794 -4.992 7.164 827 HE ARG 101 HE ARG 101 34.443 -6.554 6.833 828 HH11 ARG 101 HH11 ARG 101 35.867 -3.577 7.941 829 HH12 ARG 101 HH12 ARG 101 37.438 -4.267 8.185 830 HH21 ARG 101 HH21 ARG 101 36.506 -7.475 7.151 831 HH22 ARG 101 HH22 ARG 101 37.800 -6.484 7.735 832 H GLU 102 H GLU 102 31.039 -1.554 8.060 833 HA GLU 102 HA GLU 102 30.354 -4.088 9.181 834 HB2 GLU 102 HB2 GLU 102 30.217 -1.247 10.082 835 HB3 GLU 102 HB3 GLU 102 29.260 -2.441 10.946 836 HG2 GLU 102 HG2 GLU 102 32.232 -2.603 10.505 837 HG3 GLU 102 HG3 GLU 102 31.452 -2.032 11.979 838 H PHE 103 H PHE 103 28.613 -1.573 7.524 839 HA PHE 103 HA PHE 103 26.003 -2.131 8.330 840 HB2 PHE 103 HB2 PHE 103 27.012 -0.265 6.754 841 HB3 PHE 103 HB3 PHE 103 26.543 -1.392 5.485 842 HD1 PHE 103 HD2 PHE 103 24.080 -2.313 5.698 843 HD2 PHE 103 HD1 PHE 103 25.488 1.309 7.436 844 HE1 PHE 103 HE2 PHE 103 21.772 -1.466 5.797 845 HE2 PHE 103 HE1 PHE 103 23.182 2.160 7.539 846 HZ PHE 103 HZ PHE 103 21.320 0.772 6.719 847 H HIS 104 H HIS 104 28.050 -3.700 5.949 848 HA HIS 104 HA HIS 104 26.006 -5.300 4.784 849 HB2 HIS 104 HB2 HIS 104 28.017 -4.915 3.530 850 HB3 HIS 104 HB3 HIS 104 29.015 -5.574 4.823 851 HD1 HIS 104 HD1 HIS 104 28.778 -8.213 5.219 852 HD2 HIS 104 HD2 HIS 104 27.152 -6.743 1.690 853 HE1 HIS 104 HE1 HIS 104 28.455 -10.221 3.740 854 H GLU 105 H GLU 105 28.132 -5.665 7.538 855 HA GLU 105 HA GLU 105 27.817 -8.433 7.943 856 HB2 GLU 105 HB2 GLU 105 28.931 -6.178 9.392 857 HB3 GLU 105 HB3 GLU 105 28.122 -7.301 10.475 858 HG2 GLU 105 HG2 GLU 105 29.475 -9.117 9.258 859 HG3 GLU 105 HG3 GLU 105 30.464 -7.778 8.679 860 H LYS 106 H LYS 106 26.067 -5.659 9.312 861 HA LYS 106 HA LYS 106 24.261 -7.241 10.834 862 HB2 LYS 106 HB2 LYS 106 23.275 -5.249 11.473 863 HB3 LYS 106 HB3 LYS 106 24.896 -4.715 11.049 864 HG2 LYS 106 HG2 LYS 106 23.831 -4.305 8.700 865 HG3 LYS 106 HG3 LYS 106 22.322 -4.283 9.615 866 HD2 LYS 106 HD2 LYS 106 24.220 -2.705 11.018 867 HD3 LYS 106 HD3 LYS 106 24.254 -2.216 9.322 868 HE2 LYS 106 HE2 LYS 106 21.824 -1.919 9.365 869 HE3 LYS 106 HE3 LYS 106 21.793 -2.407 11.059 870 HZ1 LYS 106 HZ1 LYS 106 21.942 0.123 10.262 871 HZ2 LYS 106 HZ2 LYS 106 23.591 -0.224 10.401 872 HZ3 LYS 106 HZ3 LYS 106 22.570 -0.422 11.735 873 H LEU 107 H LEU 107 24.260 -5.999 7.567 874 HA LEU 107 HA LEU 107 21.512 -6.401 7.016 875 HB2 LEU 107 HB2 LEU 107 23.675 -5.317 5.687 876 HB3 LEU 107 HB3 LEU 107 23.281 -6.745 4.732 877 HG LEU 107 HG LEU 107 22.155 -4.881 3.765 878 HD11 LEU 107 HD11 LEU 107 20.244 -6.556 5.385 879 HD12 LEU 107 HD12 LEU 107 20.869 -6.919 3.777 880 HD13 LEU 107 HD13 LEU 107 19.791 -5.544 4.014 881 HD21 LEU 107 HD21 LEU 107 21.236 -3.172 4.889 882 HD22 LEU 107 HD22 LEU 107 22.154 -3.795 6.260 883 HD23 LEU 107 HD23 LEU 107 20.456 -4.232 6.063 884 H ARG 108 H ARG 108 24.346 -8.467 6.812 885 HA ARG 108 HA ARG 108 23.354 -10.553 5.281 886 HB2 ARG 108 HB2 ARG 108 25.690 -10.110 6.526 887 HB3 ARG 108 HB3 ARG 108 24.996 -11.276 7.645 888 HG2 ARG 108 HG2 ARG 108 24.776 -12.906 5.894 889 HG3 ARG 108 HG3 ARG 108 25.298 -11.731 4.685 890 HD2 ARG 108 HD2 ARG 108 27.458 -11.549 5.986 891 HD3 ARG 108 HD3 ARG 108 26.919 -12.954 6.905 892 HE ARG 108 HE ARG 108 26.718 -13.707 4.281 893 HH11 ARG 108 HH11 ARG 108 29.261 -12.517 6.340 894 HH12 ARG 108 HH12 ARG 108 30.518 -13.358 5.493 895 HH21 ARG 108 HH21 ARG 108 28.364 -14.819 3.159 896 HH22 ARG 108 HH22 ARG 108 30.006 -14.666 3.683 897 H ASP 109 H ASP 109 23.188 -10.155 8.815 898 HA ASP 109 HA ASP 109 21.806 -12.494 9.409 899 HB2 ASP 109 HB2 ASP 109 22.857 -10.761 11.001 900 HB3 ASP 109 HB3 ASP 109 21.319 -9.911 10.877 901 H LEU 110 H LEU 110 20.533 -9.274 8.620 902 HA LEU 110 HA LEU 110 17.816 -9.863 8.928 903 HB2 LEU 110 HB2 LEU 110 18.544 -7.595 8.747 904 HB3 LEU 110 HB3 LEU 110 19.230 -7.887 7.150 905 HG LEU 110 HG LEU 110 16.745 -8.428 6.515 906 HD11 LEU 110 HD11 LEU 110 16.351 -7.874 9.159 907 HD12 LEU 110 HD12 LEU 110 15.113 -7.801 7.906 908 HD13 LEU 110 HD13 LEU 110 15.960 -6.333 8.394 909 HD21 LEU 110 HD21 LEU 110 18.420 -6.292 6.165 910 HD22 LEU 110 HD22 LEU 110 16.994 -5.540 6.883 911 HD23 LEU 110 HD23 LEU 110 16.841 -6.489 5.403 912 H LEU 111 H LEU 111 19.823 -9.916 5.987 913 HA LEU 111 HA LEU 111 17.809 -10.823 4.251 914 HB2 LEU 111 HB2 LEU 111 20.796 -11.196 4.092 915 HB3 LEU 111 HB3 LEU 111 19.668 -11.491 2.771 916 HG LEU 111 HG LEU 111 20.038 -8.796 4.067 917 HD11 LEU 111 HD11 LEU 111 21.565 -8.196 2.405 918 HD12 LEU 111 HD12 LEU 111 21.206 -9.620 1.430 919 HD13 LEU 111 HD13 LEU 111 22.107 -9.788 2.937 920 HD21 LEU 111 HD21 LEU 111 19.187 -8.540 1.438 921 HD22 LEU 111 HD22 LEU 111 18.208 -8.328 2.890 922 HD23 LEU 111 HD23 LEU 111 18.250 -9.892 2.073 923 H ILE 112 H ILE 112 19.959 -12.510 6.431 924 HA ILE 112 HA ILE 112 19.557 -15.117 5.387 925 HB ILE 112 HB ILE 112 20.475 -14.144 8.085 926 HG12 ILE 112 HG12 ILE 112 22.100 -15.758 6.162 927 HG13 ILE 112 HG13 ILE 112 21.839 -14.050 5.826 928 HG21 ILE 112 HG21 ILE 112 19.419 -16.223 8.540 929 HG22 ILE 112 HG22 ILE 112 20.130 -16.969 7.109 930 HG23 ILE 112 HG23 ILE 112 21.155 -16.531 8.476 931 HD11 ILE 112 HD11 ILE 112 23.079 -15.193 8.318 932 HD12 ILE 112 HD12 ILE 112 23.933 -14.403 6.992 933 HD13 ILE 112 HD13 ILE 112 22.810 -13.481 7.992 934 H SER 113 H SER 113 17.777 -13.106 7.611 935 HA SER 113 HA SER 113 16.166 -15.197 8.702 936 HB2 SER 113 HB2 SER 113 16.407 -13.204 10.004 937 HB3 SER 113 HB3 SER 113 15.864 -12.190 8.668 938 HG SER 113 HG SER 113 14.213 -12.556 10.222 939 H MET 114 H MET 114 16.061 -13.274 5.834 940 HA MET 114 HA MET 114 13.314 -14.147 5.272 941 HB2 MET 114 HB2 MET 114 13.535 -12.499 3.337 942 HB3 MET 114 HB3 MET 114 13.479 -11.817 4.958 943 HG2 MET 114 HG2 MET 114 15.812 -11.402 4.958 944 HG3 MET 114 HG3 MET 114 16.043 -12.345 3.488 945 HE1 MET 114 HE1 MET 114 15.333 -8.214 4.336 946 HE2 MET 114 HE2 MET 114 13.650 -8.633 4.018 947 HE3 MET 114 HE3 MET 114 14.568 -9.526 5.232 948 H GLU 115 H GLU 115 16.367 -15.208 4.800 949 HA GLU 115 HA GLU 115 17.315 -16.751 3.423 950 HB2 GLU 115 HB2 GLU 115 14.591 -17.130 2.187 951 HB3 GLU 115 HB3 GLU 115 15.913 -18.286 2.258 952 HG2 GLU 115 HG2 GLU 115 15.632 -18.141 4.805 953 HG3 GLU 115 HG3 GLU 115 14.073 -17.402 4.444 954 H LEU 116 H LEU 116 17.257 -13.994 2.650 955 HA LEU 116 HA LEU 116 17.037 -14.133 -0.273 956 HB2 LEU 116 HB2 LEU 116 16.889 -11.959 1.732 957 HB3 LEU 116 HB3 LEU 116 17.600 -11.557 0.170 958 HG LEU 116 HG LEU 116 15.248 -10.971 0.217 959 HD11 LEU 116 HD11 LEU 116 15.224 -13.376 -1.513 960 HD12 LEU 116 HD12 LEU 116 16.488 -12.181 -1.796 961 HD13 LEU 116 HD13 LEU 116 14.792 -11.706 -1.882 962 HD21 LEU 116 HD21 LEU 116 14.364 -13.793 0.341 963 HD22 LEU 116 HD22 LEU 116 13.560 -12.324 0.896 964 HD23 LEU 116 HD23 LEU 116 14.855 -13.038 1.858 965 H ALA 117 H ALA 117 18.792 -14.209 -1.518 966 HA ALA 117 HA ALA 117 21.409 -14.191 -0.272 967 HB1 ALA 117 HB1 ALA 117 21.590 -15.832 -1.781 968 HB2 ALA 117 HB2 ALA 117 20.249 -15.218 -2.749 969 HB3 ALA 117 HB3 ALA 117 21.863 -14.536 -2.946 970 H LEU 118 H LEU 118 23.208 -12.975 -1.204 971 HA LEU 118 HA LEU 118 22.353 -10.272 -1.944 972 HB2 LEU 118 HB2 LEU 118 24.756 -11.417 -0.605 973 HB3 LEU 118 HB3 LEU 118 24.909 -9.885 -1.463 974 HG LEU 118 HG LEU 118 22.950 -10.392 0.774 975 HD11 LEU 118 HD11 LEU 118 24.445 -9.634 2.299 976 HD12 LEU 118 HD12 LEU 118 25.302 -8.630 1.130 977 HD13 LEU 118 HD13 LEU 118 25.583 -10.370 1.170 978 HD21 LEU 118 HD21 LEU 118 22.089 -8.620 -0.440 979 HD22 LEU 118 HD22 LEU 118 23.684 -8.019 -0.894 980 HD23 LEU 118 HD23 LEU 118 23.097 -7.802 0.755 981 H GLU 119 H GLU 119 23.115 -9.220 -3.750 982 HA GLU 119 HA GLU 119 25.040 -10.511 -5.489 983 HB2 GLU 119 HB2 GLU 119 22.125 -10.353 -6.103 984 HB3 GLU 119 HB3 GLU 119 23.267 -10.109 -7.417 985 HG2 GLU 119 HG2 GLU 119 24.319 -12.325 -6.480 986 HG3 GLU 119 HG3 GLU 119 22.699 -12.551 -5.823 987 HA PRO 120 HA PRO 120 26.050 -6.397 -6.627 988 HB2 PRO 120 HB2 PRO 120 26.748 -6.667 -9.237 989 HB3 PRO 120 HB3 PRO 120 27.746 -7.269 -7.908 990 HG2 PRO 120 HG2 PRO 120 25.832 -8.757 -9.664 991 HG3 PRO 120 HG3 PRO 120 27.449 -9.235 -9.115 992 HD2 PRO 120 HD2 PRO 120 25.184 -10.173 -7.966 993 HD3 PRO 120 HD3 PRO 120 26.683 -9.917 -7.051 994 H SER 121 H SER 121 25.589 -4.633 -8.226 995 HA SER 121 HA SER 121 22.808 -4.845 -9.174 996 HB2 SER 121 HB2 SER 121 24.154 -2.220 -8.622 997 HB3 SER 121 HB3 SER 121 22.436 -2.618 -8.586 998 HG SER 121 HG SER 121 24.235 -3.798 -6.765 999 H ASP 122 H ASP 122 22.519 -2.783 -10.808 1000 HA ASP 122 HA ASP 122 24.069 -3.556 -13.112 1001 HB2 ASP 122 HB2 ASP 122 21.568 -2.978 -13.072 1002 HB3 ASP 122 HB3 ASP 122 22.082 -1.295 -13.008 1003 H ASP 123 H ASP 123 24.124 -1.032 -10.766 1004 HA ASP 123 HA ASP 123 25.871 0.639 -12.411 1005 HB2 ASP 123 HB2 ASP 123 24.454 1.061 -9.790 1006 HB3 ASP 123 HB3 ASP 123 25.742 2.142 -10.315 1007 H PHE 124 H PHE 124 26.669 -2.003 -11.320 1008 HA PHE 124 HA PHE 124 28.682 -1.316 -9.330 1009 HB2 PHE 124 HB2 PHE 124 27.515 -3.374 -8.925 1010 HB3 PHE 124 HB3 PHE 124 27.840 -3.944 -10.559 1011 HD1 PHE 124 HD2 PHE 124 29.834 -2.642 -7.681 1012 HD2 PHE 124 HD1 PHE 124 29.402 -5.604 -10.707 1013 HE1 PHE 124 HE2 PHE 124 31.880 -3.751 -6.882 1014 HE2 PHE 124 HE1 PHE 124 31.447 -6.718 -9.912 1015 HZ PHE 124 HZ PHE 124 32.688 -5.793 -7.997 1016 H ASN 125 H ASN 125 30.471 -0.392 -10.092 1017 HA ASN 125 HA ASN 125 31.538 -1.246 -12.684 1018 HB2 ASN 125 HB2 ASN 125 32.510 1.069 -11.010 1019 HB3 ASN 125 HB3 ASN 125 32.777 0.788 -12.728 1020 HD21 ASN 125 HD21 ASN 125 30.919 0.913 -14.141 1021 HD22 ASN 125 HD22 ASN 125 29.620 1.978 -13.738 1022 H ASP 126 H ASP 126 34.170 -0.699 -12.478 1023 HA ASP 126 HA ASP 126 35.085 -2.792 -10.649 1024 HB2 ASP 126 HB2 ASP 126 36.281 -1.534 -13.112 1025 HB3 ASP 126 HB3 ASP 126 37.235 -2.546 -12.032 1026 H GLU 127 H GLU 127 37.622 -2.277 -10.139 1027 HA GLU 127 HA GLU 127 38.974 -1.176 -8.674 1028 HB2 GLU 127 HB2 GLU 127 38.840 0.376 -10.773 1029 HB3 GLU 127 HB3 GLU 127 37.909 1.425 -9.713 1030 HG2 GLU 127 HG2 GLU 127 39.741 1.634 -8.196 1031 HG3 GLU 127 HG3 GLU 127 40.664 0.409 -9.065 1032 HA PRO 128 HA PRO 128 35.357 -0.298 -5.859 1033 HB2 PRO 128 HB2 PRO 128 35.975 -2.226 -4.049 1034 HB3 PRO 128 HB3 PRO 128 34.972 -2.530 -5.472 1035 HG2 PRO 128 HG2 PRO 128 37.881 -3.094 -5.049 1036 HG3 PRO 128 HG3 PRO 128 36.643 -4.112 -5.808 1037 HD2 PRO 128 HD2 PRO 128 38.411 -2.652 -7.248 1038 HD3 PRO 128 HD3 PRO 128 36.760 -2.979 -7.812 1039 H VAL 129 H VAL 129 35.430 0.560 -3.715 1040 HA VAL 129 HA VAL 129 37.586 2.205 -3.146 1041 HB VAL 129 HB VAL 129 35.375 2.596 -2.199 1042 HG11 VAL 129 HG11 VAL 129 34.209 1.030 -1.138 1043 HG12 VAL 129 HG12 VAL 129 35.524 -0.101 -1.462 1044 HG13 VAL 129 HG13 VAL 129 35.494 0.809 0.049 1045 HG21 VAL 129 HG21 VAL 129 36.045 3.350 -0.037 1046 HG22 VAL 129 HG22 VAL 129 37.343 2.159 0.041 1047 HG23 VAL 129 HG23 VAL 129 37.442 3.497 -1.103 1048 H LYS 130 H LYS 130 39.519 1.899 -2.256 1049 HA LYS 130 HA LYS 130 40.436 -0.680 -1.534 1050 HB2 LYS 130 HB2 LYS 130 41.631 2.070 -1.212 1051 HB3 LYS 130 HB3 LYS 130 42.473 0.607 -0.719 1052 HG2 LYS 130 HG2 LYS 130 42.127 -0.201 -3.108 1053 HG3 LYS 130 HG3 LYS 130 41.687 1.467 -3.482 1054 HD2 LYS 130 HD2 LYS 130 44.293 0.571 -2.250 1055 HD3 LYS 130 HD3 LYS 130 44.057 1.019 -3.941 1056 HE2 LYS 130 HE2 LYS 130 43.286 3.266 -3.139 1057 HE3 LYS 130 HE3 LYS 130 43.784 2.788 -1.517 1058 HZ1 LYS 130 HZ1 LYS 130 45.490 4.082 -2.657 1059 HZ2 LYS 130 HZ2 LYS 130 45.571 2.921 -3.885 1060 HZ3 LYS 130 HZ3 LYS 130 46.037 2.519 -2.309 1061 H LEU 131 H LEU 131 39.373 -1.582 0.172 1062 HA LEU 131 HA LEU 131 38.784 -0.152 2.574 1063 HB2 LEU 131 HB2 LEU 131 38.838 -3.128 2.100 1064 HB3 LEU 131 HB3 LEU 131 38.064 -2.298 3.448 1065 HG LEU 131 HG LEU 131 37.231 -2.216 0.550 1066 HD11 LEU 131 HD11 LEU 131 36.403 -3.752 2.912 1067 HD12 LEU 131 HD12 LEU 131 36.230 -4.119 1.196 1068 HD13 LEU 131 HD13 LEU 131 35.087 -3.033 1.984 1069 HD21 LEU 131 HD21 LEU 131 35.996 -0.816 2.920 1070 HD22 LEU 131 HD22 LEU 131 35.398 -0.803 1.261 1071 HD23 LEU 131 HD23 LEU 131 36.936 -0.032 1.650 1072 H SER 132 H SER 132 41.429 -2.118 1.447 1073 HA SER 132 HA SER 132 42.644 -2.127 4.114 1074 HB2 SER 132 HB2 SER 132 42.498 -4.181 2.468 1075 HB3 SER 132 HB3 SER 132 43.920 -3.433 1.740 1076 HG SER 132 HG SER 132 43.639 -4.719 4.164 1077 H ALA 133 H ALA 133 42.496 0.370 2.975 1078 HA ALA 133 HA ALA 133 45.084 0.938 1.758 1079 HB1 ALA 133 HB1 ALA 133 43.955 2.542 0.727 1080 HB2 ALA 133 HB2 ALA 133 42.509 2.135 1.652 1081 HB3 ALA 133 HB3 ALA 133 43.650 3.325 2.279 Start of MODEL 16 1 H MET 1 H MET 1 2.346 -0.374 0.273 2 HA MET 1 HA MET 1 1.030 -1.434 -2.018 3 HB2 MET 1 HB2 MET 1 1.515 1.100 -2.494 4 HB3 MET 1 HB3 MET 1 3.160 0.536 -2.754 5 HG2 MET 1 HG2 MET 1 2.184 -1.129 -4.390 6 HG3 MET 1 HG3 MET 1 0.682 -0.217 -4.265 7 HE1 MET 1 HE1 MET 1 0.214 0.426 -6.257 8 HE2 MET 1 HE2 MET 1 0.894 1.812 -7.109 9 HE3 MET 1 HE3 MET 1 1.474 0.185 -7.468 10 H THR 2 H THR 2 2.099 -3.187 -2.724 11 HA THR 2 HA THR 2 4.554 -3.920 -1.400 12 HB THR 2 HB THR 2 4.322 -6.070 -2.519 13 HG1 THR 2 HG1 THR 2 3.513 -5.731 -4.499 14 HG21 THR 2 HG21 THR 2 1.499 -5.505 -1.797 15 HG22 THR 2 HG22 THR 2 2.727 -5.183 -0.572 16 HG23 THR 2 HG23 THR 2 2.568 -6.800 -1.259 17 H LEU 3 H LEU 3 6.435 -4.737 -2.574 18 HA LEU 3 HA LEU 3 7.342 -2.876 -4.515 19 HB2 LEU 3 HB2 LEU 3 8.671 -5.509 -4.017 20 HB3 LEU 3 HB3 LEU 3 9.401 -3.950 -4.395 21 HG LEU 3 HG LEU 3 8.219 -4.817 -1.760 22 HD11 LEU 3 HD11 LEU 3 10.302 -5.667 -1.619 23 HD12 LEU 3 HD12 LEU 3 10.724 -3.997 -1.242 24 HD13 LEU 3 HD13 LEU 3 10.938 -4.611 -2.881 25 HD21 LEU 3 HD21 LEU 3 7.671 -2.478 -2.202 26 HD22 LEU 3 HD22 LEU 3 9.367 -2.141 -2.551 27 HD23 LEU 3 HD23 LEU 3 8.879 -2.620 -0.925 28 HA PRO 4 HA PRO 4 6.169 -4.738 -8.313 29 HB2 PRO 4 HB2 PRO 4 8.271 -4.066 -9.896 30 HB3 PRO 4 HB3 PRO 4 7.063 -2.894 -9.354 31 HG2 PRO 4 HG2 PRO 4 9.796 -3.440 -8.262 32 HG3 PRO 4 HG3 PRO 4 8.997 -1.884 -8.551 33 HD2 PRO 4 HD2 PRO 4 9.149 -3.009 -6.093 34 HD3 PRO 4 HD3 PRO 4 7.775 -2.006 -6.601 35 H SER 5 H SER 5 9.113 -5.645 -6.751 36 HA SER 5 HA SER 5 9.865 -7.706 -8.586 37 HB2 SER 5 HB2 SER 5 10.989 -8.317 -6.091 38 HB3 SER 5 HB3 SER 5 11.758 -7.437 -7.412 39 HG SER 5 HG SER 5 11.417 -5.591 -6.406 40 H GLY 6 H GLY 6 7.572 -7.447 -6.055 41 HA2 GLY 6 HA2 GLY 6 5.841 -9.146 -5.947 42 HA3 GLY 6 HA3 GLY 6 7.086 -10.352 -6.239 43 H HIS 7 H HIS 7 8.467 -8.217 -4.194 44 HA HIS 7 HA HIS 7 7.910 -9.927 -1.894 45 HB2 HIS 7 HB2 HIS 7 10.207 -8.521 -2.860 46 HB3 HIS 7 HB3 HIS 7 9.822 -7.929 -1.247 47 HD1 HIS 7 HD1 HIS 7 9.317 -11.504 -2.328 48 HD2 HIS 7 HD2 HIS 7 11.851 -9.249 0.072 49 HE1 HIS 7 HE1 HIS 7 10.701 -13.174 -1.055 50 HA PRO 8 HA PRO 8 5.345 -7.022 0.172 51 HB2 PRO 8 HB2 PRO 8 5.913 -7.617 2.759 52 HB3 PRO 8 HB3 PRO 8 4.949 -8.673 1.720 53 HG2 PRO 8 HG2 PRO 8 7.846 -8.866 2.450 54 HG3 PRO 8 HG3 PRO 8 6.628 -10.152 2.353 55 HD2 PRO 8 HD2 PRO 8 8.435 -9.706 0.386 56 HD3 PRO 8 HD3 PRO 8 6.800 -10.315 0.060 57 H LYS 9 H LYS 9 5.650 -4.901 0.348 58 HA LYS 9 HA LYS 9 8.201 -3.750 0.875 59 HB2 LYS 9 HB2 LYS 9 6.487 -2.710 -0.594 60 HB3 LYS 9 HB3 LYS 9 5.492 -2.407 0.823 61 HG2 LYS 9 HG2 LYS 9 7.013 -0.833 1.684 62 HG3 LYS 9 HG3 LYS 9 8.284 -1.335 0.567 63 HD2 LYS 9 HD2 LYS 9 6.815 -0.542 -1.308 64 HD3 LYS 9 HD3 LYS 9 5.738 0.141 -0.087 65 HE2 LYS 9 HE2 LYS 9 7.790 1.372 0.791 66 HE3 LYS 9 HE3 LYS 9 8.578 0.902 -0.714 67 HZ1 LYS 9 HZ1 LYS 9 7.652 3.078 -0.962 68 HZ2 LYS 9 HZ2 LYS 9 6.131 2.558 -0.436 69 HZ3 LYS 9 HZ3 LYS 9 6.746 2.011 -1.913 70 H SER 10 H SER 10 5.122 -3.583 2.673 71 HA SER 10 HA SER 10 6.061 -2.259 4.918 72 HB2 SER 10 HB2 SER 10 3.966 -4.430 5.036 73 HB3 SER 10 HB3 SER 10 4.087 -2.980 6.033 74 HG SER 10 HG SER 10 2.632 -3.196 3.951 75 H ARG 11 H ARG 11 5.956 -5.747 4.277 76 HA ARG 11 HA ARG 11 6.931 -6.596 6.768 77 HB2 ARG 11 HB2 ARG 11 5.921 -7.926 4.733 78 HB3 ARG 11 HB3 ARG 11 7.609 -8.090 4.268 79 HG2 ARG 11 HG2 ARG 11 7.229 -10.011 5.485 80 HG3 ARG 11 HG3 ARG 11 7.948 -8.936 6.686 81 HD2 ARG 11 HD2 ARG 11 6.060 -10.020 7.682 82 HD3 ARG 11 HD3 ARG 11 5.650 -8.325 7.420 83 HE ARG 11 HE ARG 11 4.764 -9.684 5.188 84 HH11 ARG 11 HH11 ARG 11 4.154 -9.743 8.615 85 HH12 ARG 11 HH12 ARG 11 2.513 -10.272 8.446 86 HH21 ARG 11 HH21 ARG 11 2.605 -10.381 4.952 87 HH22 ARG 11 HH22 ARG 11 1.633 -10.635 6.362 88 H LEU 12 H LEU 12 8.571 -5.521 3.854 89 HA LEU 12 HA LEU 12 11.185 -6.288 4.715 90 HB2 LEU 12 HB2 LEU 12 9.974 -5.070 2.401 91 HB3 LEU 12 HB3 LEU 12 11.440 -4.207 2.863 92 HG LEU 12 HG LEU 12 12.754 -6.210 2.625 93 HD11 LEU 12 HD11 LEU 12 10.213 -7.504 2.893 94 HD12 LEU 12 HD12 LEU 12 11.833 -8.196 2.966 95 HD13 LEU 12 HD13 LEU 12 11.009 -8.044 1.415 96 HD21 LEU 12 HD21 LEU 12 12.382 -6.671 0.207 97 HD22 LEU 12 HD22 LEU 12 12.458 -4.954 0.606 98 HD23 LEU 12 HD23 LEU 12 10.899 -5.721 0.300 99 H ILE 13 H ILE 13 9.314 -3.291 4.785 100 HA ILE 13 HA ILE 13 11.279 -1.527 5.634 101 HB ILE 13 HB ILE 13 8.333 -1.586 6.272 102 HG12 ILE 13 HG12 ILE 13 9.007 -1.272 3.896 103 HG13 ILE 13 HG13 ILE 13 8.166 0.123 4.563 104 HG21 ILE 13 HG21 ILE 13 10.459 0.339 7.089 105 HG22 ILE 13 HG22 ILE 13 8.840 0.936 6.731 106 HG23 ILE 13 HG23 ILE 13 9.075 -0.263 8.001 107 HD11 ILE 13 HD11 ILE 13 11.143 -0.137 4.212 108 HD12 ILE 13 HD12 ILE 13 10.050 0.795 3.189 109 HD13 ILE 13 HD13 ILE 13 10.297 1.263 4.871 110 H LYS 14 H LYS 14 9.125 -3.560 7.600 111 HA LYS 14 HA LYS 14 10.172 -2.722 10.096 112 HB2 LYS 14 HB2 LYS 14 8.728 -5.283 9.387 113 HB3 LYS 14 HB3 LYS 14 8.986 -4.671 11.015 114 HG2 LYS 14 HG2 LYS 14 7.355 -3.345 8.858 115 HG3 LYS 14 HG3 LYS 14 6.728 -4.209 10.263 116 HD2 LYS 14 HD2 LYS 14 8.435 -1.722 10.355 117 HD3 LYS 14 HD3 LYS 14 6.685 -1.771 10.579 118 HE2 LYS 14 HE2 LYS 14 8.748 -3.124 12.315 119 HE3 LYS 14 HE3 LYS 14 7.831 -1.675 12.725 120 HZ1 LYS 14 HZ1 LYS 14 6.543 -3.218 13.734 121 HZ2 LYS 14 HZ2 LYS 14 6.975 -4.464 12.675 122 HZ3 LYS 14 HZ3 LYS 14 5.837 -3.306 12.199 123 H LYS 15 H LYS 15 11.039 -5.256 7.837 124 HA LYS 15 HA LYS 15 12.736 -6.731 9.544 125 HB2 LYS 15 HB2 LYS 15 12.379 -6.506 6.587 126 HB3 LYS 15 HB3 LYS 15 13.813 -7.318 7.201 127 HG2 LYS 15 HG2 LYS 15 12.514 -8.965 8.306 128 HG3 LYS 15 HG3 LYS 15 11.021 -8.064 8.031 129 HD2 LYS 15 HD2 LYS 15 10.736 -9.066 6.066 130 HD3 LYS 15 HD3 LYS 15 12.332 -8.539 5.528 131 HE2 LYS 15 HE2 LYS 15 13.328 -10.512 6.107 132 HE3 LYS 15 HE3 LYS 15 12.184 -10.834 7.409 133 HZ1 LYS 15 HZ1 LYS 15 11.651 -11.111 4.500 134 HZ2 LYS 15 HZ2 LYS 15 10.508 -11.356 5.722 135 HZ3 LYS 15 HZ3 LYS 15 11.853 -12.376 5.605 136 H PHE 16 H PHE 16 13.497 -4.276 7.073 137 HA PHE 16 HA PHE 16 16.250 -4.170 7.536 138 HB2 PHE 16 HB2 PHE 16 14.351 -2.053 6.514 139 HB3 PHE 16 HB3 PHE 16 16.103 -1.883 6.499 140 HD1 PHE 16 HD2 PHE 16 17.279 -4.127 5.475 141 HD2 PHE 16 HD1 PHE 16 13.418 -2.619 4.510 142 HE1 PHE 16 HE2 PHE 16 17.373 -5.285 3.306 143 HE2 PHE 16 HE1 PHE 16 13.505 -3.775 2.340 144 HZ PHE 16 HZ PHE 16 15.485 -5.109 1.735 145 H THR 17 H THR 17 13.592 -2.796 9.287 146 HA THR 17 HA THR 17 14.885 -0.726 10.653 147 HB THR 17 HB THR 17 12.662 -2.483 11.712 148 HG1 THR 17 HG1 THR 17 11.880 -1.603 9.862 149 HG21 THR 17 HG21 THR 17 13.685 -1.115 13.448 150 HG22 THR 17 HG22 THR 17 12.081 -0.497 13.051 151 HG23 THR 17 HG23 THR 17 13.518 0.321 12.439 152 H ALA 18 H ALA 18 15.155 -4.139 10.979 153 HA ALA 18 HA ALA 18 16.164 -4.103 13.678 154 HB1 ALA 18 HB1 ALA 18 15.062 -6.040 12.104 155 HB2 ALA 18 HB2 ALA 18 16.774 -6.462 12.060 156 HB3 ALA 18 HB3 ALA 18 15.939 -6.330 13.607 157 H LEU 19 H LEU 19 17.439 -3.243 10.723 158 HA LEU 19 HA LEU 19 20.179 -3.980 11.485 159 HB2 LEU 19 HB2 LEU 19 19.224 -2.880 8.850 160 HB3 LEU 19 HB3 LEU 19 20.804 -3.574 9.207 161 HG LEU 19 HG LEU 19 18.170 -5.014 8.966 162 HD11 LEU 19 HD11 LEU 19 20.713 -4.937 7.385 163 HD12 LEU 19 HD12 LEU 19 19.053 -4.716 6.833 164 HD13 LEU 19 HD13 LEU 19 19.621 -6.319 7.299 165 HD21 LEU 19 HD21 LEU 19 20.829 -6.032 9.956 166 HD22 LEU 19 HD22 LEU 19 19.489 -7.066 9.457 167 HD23 LEU 19 HD23 LEU 19 19.304 -5.988 10.841 168 H GLY 20 H GLY 20 18.157 -1.537 12.042 169 HA2 GLY 20 HA2 GLY 20 20.004 0.290 12.936 170 HA3 GLY 20 HA3 GLY 20 19.711 0.736 11.262 171 HA PRO 21 HA PRO 21 16.615 3.075 13.685 172 HB2 PRO 21 HB2 PRO 21 16.616 5.213 12.012 173 HB3 PRO 21 HB3 PRO 21 17.803 5.004 13.305 174 HG2 PRO 21 HG2 PRO 21 18.066 4.422 10.381 175 HG3 PRO 21 HG3 PRO 21 19.226 5.196 11.476 176 HD2 PRO 21 HD2 PRO 21 19.426 2.597 10.742 177 HD3 PRO 21 HD3 PRO 21 19.951 3.183 12.333 178 H TYR 22 H TYR 22 14.522 4.032 12.961 179 HA TYR 22 HA TYR 22 13.081 2.224 11.375 180 HB2 TYR 22 HB2 TYR 22 12.467 4.954 12.471 181 HB3 TYR 22 HB3 TYR 22 11.320 4.127 11.423 182 HD1 TYR 22 HD1 TYR 22 13.403 3.368 14.439 183 HD2 TYR 22 HD2 TYR 22 9.663 2.913 12.461 184 HE1 TYR 22 HE1 TYR 22 12.536 2.128 16.377 185 HE2 TYR 22 HE2 TYR 22 8.785 1.672 14.395 186 HH TYR 22 HH TYR 22 9.822 0.264 16.304 187 H ILE 23 H ILE 23 12.564 2.157 9.265 188 HA ILE 23 HA ILE 23 13.955 3.942 7.468 189 HB ILE 23 HB ILE 23 12.089 1.649 6.843 190 HG12 ILE 23 HG12 ILE 23 14.446 0.665 6.174 191 HG13 ILE 23 HG13 ILE 23 15.032 1.835 7.350 192 HG21 ILE 23 HG21 ILE 23 12.109 2.592 4.808 193 HG22 ILE 23 HG22 ILE 23 13.502 3.605 5.182 194 HG23 ILE 23 HG23 ILE 23 13.738 1.926 4.698 195 HD11 ILE 23 HD11 ILE 23 14.336 -0.677 7.963 196 HD12 ILE 23 HD12 ILE 23 14.235 0.669 9.098 197 HD13 ILE 23 HD13 ILE 23 12.795 0.138 8.230 198 H ARG 24 H ARG 24 13.033 5.339 5.985 199 HA ARG 24 HA ARG 24 10.458 6.414 6.749 200 HB2 ARG 24 HB2 ARG 24 12.709 7.283 5.003 201 HB3 ARG 24 HB3 ARG 24 11.114 7.946 4.672 202 HG2 ARG 24 HG2 ARG 24 11.136 8.431 7.254 203 HG3 ARG 24 HG3 ARG 24 12.883 8.340 7.027 204 HD2 ARG 24 HD2 ARG 24 12.551 10.566 6.633 205 HD3 ARG 24 HD3 ARG 24 12.358 9.936 4.998 206 HE ARG 24 HE ARG 24 10.138 10.511 5.068 207 HH11 ARG 24 HH11 ARG 24 11.480 10.667 8.277 208 HH12 ARG 24 HH12 ARG 24 10.082 11.425 8.966 209 HH21 ARG 24 HH21 ARG 24 8.292 11.508 5.963 210 HH22 ARG 24 HH22 ARG 24 8.269 11.901 7.649 211 H GLU 25 H GLU 25 8.912 4.942 6.110 212 HA GLU 25 HA GLU 25 8.851 4.059 3.335 213 HB2 GLU 25 HB2 GLU 25 6.984 2.647 4.027 214 HB3 GLU 25 HB3 GLU 25 8.358 2.430 5.101 215 HG2 GLU 25 HG2 GLU 25 6.619 2.535 6.588 216 HG3 GLU 25 HG3 GLU 25 7.163 4.211 6.563 217 H GLY 26 H GLY 26 6.329 3.927 2.592 218 HA2 GLY 26 HA2 GLY 26 4.656 6.108 3.190 219 HA3 GLY 26 HA3 GLY 26 5.667 6.541 1.820 220 H GLN 27 H GLN 27 3.086 6.575 1.307 221 HA GLN 27 HA GLN 27 2.505 4.012 -0.024 222 HB2 GLN 27 HB2 GLN 27 0.529 6.155 0.773 223 HB3 GLN 27 HB3 GLN 27 0.150 4.575 0.100 224 HG2 GLN 27 HG2 GLN 27 -0.257 4.237 2.328 225 HG3 GLN 27 HG3 GLN 27 1.410 3.679 2.188 226 HE21 GLN 27 HE21 GLN 27 1.886 4.059 4.330 227 HE22 GLN 27 HE22 GLN 27 2.044 5.649 4.985 228 H CYS 28 H CYS 28 4.225 5.966 -1.158 229 HA CYS 28 HA CYS 28 2.620 7.265 -3.225 230 HB2 CYS 28 HB2 CYS 28 5.541 7.472 -2.486 231 HB3 CYS 28 HB3 CYS 28 4.843 8.270 -3.890 232 HG CYS 28 HG CYS 28 4.205 8.912 -0.599 233 H GLU 29 H GLU 29 4.083 7.297 -5.417 234 HA GLU 29 HA GLU 29 3.645 4.866 -6.656 235 HB2 GLU 29 HB2 GLU 29 4.264 7.261 -7.592 236 HB3 GLU 29 HB3 GLU 29 5.886 6.585 -7.626 237 HG2 GLU 29 HG2 GLU 29 5.243 4.879 -9.134 238 HG3 GLU 29 HG3 GLU 29 3.532 5.245 -8.923 239 H ASP 30 H ASP 30 5.366 3.503 -7.745 240 HA ASP 30 HA ASP 30 6.814 2.078 -5.871 241 HB2 ASP 30 HB2 ASP 30 6.321 1.069 -7.982 242 HB3 ASP 30 HB3 ASP 30 7.194 2.324 -8.857 243 H ASN 31 H ASN 31 8.666 2.396 -4.827 244 HA ASN 31 HA ASN 31 10.751 4.055 -6.008 245 HB2 ASN 31 HB2 ASN 31 9.393 4.661 -3.381 246 HB3 ASN 31 HB3 ASN 31 10.991 5.280 -3.788 247 HD21 ASN 31 HD21 ASN 31 8.078 6.340 -3.485 248 HD22 ASN 31 HD22 ASN 31 7.937 7.427 -4.820 249 H ARG 32 H ARG 32 12.674 4.128 -4.329 250 HA ARG 32 HA ARG 32 13.086 1.348 -3.468 251 HB2 ARG 32 HB2 ARG 32 14.969 3.504 -4.387 252 HB3 ARG 32 HB3 ARG 32 15.554 2.116 -3.480 253 HG2 ARG 32 HG2 ARG 32 14.615 0.628 -5.205 254 HG3 ARG 32 HG3 ARG 32 14.123 2.050 -6.128 255 HD2 ARG 32 HD2 ARG 32 16.967 1.519 -5.296 256 HD3 ARG 32 HD3 ARG 32 16.294 0.977 -6.833 257 HE ARG 32 HE ARG 32 17.058 3.656 -6.120 258 HH11 ARG 32 HH11 ARG 32 15.069 1.699 -8.201 259 HH12 ARG 32 HH12 ARG 32 14.947 2.906 -9.437 260 HH21 ARG 32 HH21 ARG 32 16.904 5.255 -7.740 261 HH22 ARG 32 HH22 ARG 32 15.991 4.928 -9.174 262 H PHE 33 H PHE 33 14.115 0.910 -1.472 263 HA PHE 33 HA PHE 33 13.209 2.423 0.695 264 HB2 PHE 33 HB2 PHE 33 15.478 0.423 0.616 265 HB3 PHE 33 HB3 PHE 33 14.674 0.996 2.073 266 HD1 PHE 33 HD1 PHE 33 12.209 0.504 2.355 267 HD2 PHE 33 HD2 PHE 33 14.626 -1.377 -0.601 268 HE1 PHE 33 HE1 PHE 33 10.544 -1.294 2.143 269 HE2 PHE 33 HE2 PHE 33 12.964 -3.178 -0.818 270 HZ PHE 33 HZ PHE 33 10.920 -3.139 0.556 271 H PHE 34 H PHE 34 14.366 3.655 2.261 272 HA PHE 34 HA PHE 34 16.912 4.790 1.336 273 HB2 PHE 34 HB2 PHE 34 14.414 6.277 2.106 274 HB3 PHE 34 HB3 PHE 34 15.999 7.026 2.262 275 HD1 PHE 34 HD2 PHE 34 17.453 6.273 -0.056 276 HD2 PHE 34 HD1 PHE 34 13.304 7.150 0.303 277 HE1 PHE 34 HE2 PHE 34 17.386 6.910 -2.432 278 HE2 PHE 34 HE1 PHE 34 13.230 7.788 -2.072 279 HZ PHE 34 HZ PHE 34 15.272 7.668 -3.443 280 H PHE 35 H PHE 35 18.328 5.447 2.946 281 HA PHE 35 HA PHE 35 17.494 5.066 5.727 282 HB2 PHE 35 HB2 PHE 35 19.976 3.814 4.532 283 HB3 PHE 35 HB3 PHE 35 19.491 3.739 6.223 284 HD1 PHE 35 HD2 PHE 35 18.744 2.568 2.827 285 HD2 PHE 35 HD1 PHE 35 17.785 2.238 6.961 286 HE1 PHE 35 HE2 PHE 35 17.463 0.519 2.363 287 HE2 PHE 35 HE1 PHE 35 16.504 0.188 6.504 288 HZ PHE 35 HZ PHE 35 16.342 -0.675 4.203 289 H ASP 36 H ASP 36 17.950 6.879 6.766 290 HA ASP 36 HA ASP 36 20.275 8.463 5.905 291 HB2 ASP 36 HB2 ASP 36 17.648 9.204 7.150 292 HB3 ASP 36 HB3 ASP 36 19.041 10.267 7.333 293 H CYS 37 H CYS 37 22.001 8.026 7.113 294 HA CYS 37 HA CYS 37 21.627 7.627 10.006 295 HB2 CYS 37 HB2 CYS 37 22.763 5.857 8.417 296 HB3 CYS 37 HB3 CYS 37 24.167 6.900 8.603 297 HG CYS 37 HG CYS 37 24.208 4.615 10.347 298 H LEU 38 H LEU 38 23.166 8.577 11.451 299 HA LEU 38 HA LEU 38 24.359 11.042 10.370 300 HB2 LEU 38 HB2 LEU 38 22.948 10.404 12.900 301 HB3 LEU 38 HB3 LEU 38 24.264 11.573 12.977 302 HG LEU 38 HG LEU 38 21.768 11.798 11.296 303 HD11 LEU 38 HD11 LEU 38 22.476 13.790 13.356 304 HD12 LEU 38 HD12 LEU 38 21.927 12.218 13.936 305 HD13 LEU 38 HD13 LEU 38 20.899 13.170 12.865 306 HD21 LEU 38 HD21 LEU 38 23.521 12.824 10.076 307 HD22 LEU 38 HD22 LEU 38 24.201 13.555 11.530 308 HD23 LEU 38 HD23 LEU 38 22.656 14.124 10.897 309 H ALA 39 H ALA 39 26.360 10.142 9.843 310 HA ALA 39 HA ALA 39 27.900 8.663 11.758 311 HB1 ALA 39 HB1 ALA 39 28.944 8.044 9.904 312 HB2 ALA 39 HB2 ALA 39 28.060 9.254 8.974 313 HB3 ALA 39 HB3 ALA 39 29.592 9.676 9.738 314 H VAL 40 H VAL 40 28.802 11.674 10.083 315 HA VAL 40 HA VAL 40 29.511 12.897 12.636 316 HB VAL 40 HB VAL 40 31.526 12.748 10.394 317 HG11 VAL 40 HG11 VAL 40 33.064 13.558 12.187 318 HG12 VAL 40 HG12 VAL 40 31.809 14.712 11.731 319 HG13 VAL 40 HG13 VAL 40 31.654 13.782 13.222 320 HG21 VAL 40 HG21 VAL 40 32.765 11.164 11.758 321 HG22 VAL 40 HG22 VAL 40 31.494 11.193 12.980 322 HG23 VAL 40 HG23 VAL 40 31.164 10.526 11.382 323 H CYS 41 H CYS 41 29.711 15.167 12.555 324 HA CYS 41 HA CYS 41 28.167 16.382 10.440 325 HB2 CYS 41 HB2 CYS 41 28.223 18.386 11.797 326 HB3 CYS 41 HB3 CYS 41 27.859 17.006 12.826 327 HG CYS 41 HG CYS 41 30.376 16.844 13.960 328 H VAL 42 H VAL 42 28.859 17.896 8.964 329 HA VAL 42 HA VAL 42 31.453 17.665 7.950 330 HB VAL 42 HB VAL 42 29.603 20.006 7.497 331 HG11 VAL 42 HG11 VAL 42 31.333 18.886 5.373 332 HG12 VAL 42 HG12 VAL 42 30.876 20.559 5.702 333 HG13 VAL 42 HG13 VAL 42 32.131 19.780 6.666 334 HG21 VAL 42 HG21 VAL 42 29.269 17.215 6.834 335 HG22 VAL 42 HG22 VAL 42 28.143 18.558 6.641 336 HG23 VAL 42 HG23 VAL 42 29.330 18.215 5.383 337 H ASN 43 H ASN 43 29.995 20.211 9.949 338 HA ASN 43 HA ASN 43 32.345 20.795 11.347 339 HB2 ASN 43 HB2 ASN 43 32.574 23.191 10.288 340 HB3 ASN 43 HB3 ASN 43 33.396 21.815 9.557 341 HD21 ASN 43 HD21 ASN 43 30.169 23.296 9.450 342 HD22 ASN 43 HD22 ASN 43 30.029 23.267 7.728 343 H VAL 44 H VAL 44 32.151 23.070 12.430 344 HA VAL 44 HA VAL 44 29.305 23.541 13.039 345 HB VAL 44 HB VAL 44 29.941 24.109 15.326 346 HG11 VAL 44 HG11 VAL 44 31.064 21.694 15.781 347 HG12 VAL 44 HG12 VAL 44 29.346 21.940 15.463 348 HG13 VAL 44 HG13 VAL 44 30.426 21.453 14.155 349 HG21 VAL 44 HG21 VAL 44 32.030 24.722 15.771 350 HG22 VAL 44 HG22 VAL 44 32.528 23.043 15.567 351 HG23 VAL 44 HG23 VAL 44 32.578 24.150 14.196 352 H LYS 45 H LYS 45 31.451 24.855 11.239 353 HA LYS 45 HA LYS 45 31.938 27.440 12.285 354 HB2 LYS 45 HB2 LYS 45 32.392 26.019 9.794 355 HB3 LYS 45 HB3 LYS 45 31.918 27.688 9.507 356 HG2 LYS 45 HG2 LYS 45 34.171 26.833 11.311 357 HG3 LYS 45 HG3 LYS 45 34.360 27.369 9.640 358 HD2 LYS 45 HD2 LYS 45 32.865 29.134 11.505 359 HD3 LYS 45 HD3 LYS 45 34.617 29.034 11.692 360 HE2 LYS 45 HE2 LYS 45 34.571 29.387 9.081 361 HE3 LYS 45 HE3 LYS 45 32.997 30.100 9.430 362 HZ1 LYS 45 HZ1 LYS 45 35.593 31.180 9.854 363 HZ2 LYS 45 HZ2 LYS 45 34.705 31.172 11.293 364 HZ3 LYS 45 HZ3 LYS 45 34.089 31.951 9.923 365 HA PRO 46 HA PRO 46 28.191 28.842 9.576 366 HB2 PRO 46 HB2 PRO 46 26.614 26.895 8.531 367 HB3 PRO 46 HB3 PRO 46 28.023 27.547 7.685 368 HG2 PRO 46 HG2 PRO 46 27.769 25.025 9.277 369 HG3 PRO 46 HG3 PRO 46 28.581 25.291 7.723 370 HD2 PRO 46 HD2 PRO 46 29.928 25.163 10.069 371 HD3 PRO 46 HD3 PRO 46 30.461 26.181 8.716 372 H ALA 47 H ALA 47 25.625 28.407 9.683 373 HA ALA 47 HA ALA 47 25.030 28.273 12.482 374 HB1 ALA 47 HB1 ALA 47 22.598 28.414 11.392 375 HB2 ALA 47 HB2 ALA 47 23.656 29.816 11.551 376 HB3 ALA 47 HB3 ALA 47 23.552 28.960 10.013 377 HA PRO 48 HA PRO 48 23.719 24.112 12.947 378 HB2 PRO 48 HB2 PRO 48 21.546 24.363 14.555 379 HB3 PRO 48 HB3 PRO 48 23.199 24.620 15.126 380 HG2 PRO 48 HG2 PRO 48 21.144 26.635 14.303 381 HG3 PRO 48 HG3 PRO 48 22.252 26.669 15.686 382 HD2 PRO 48 HD2 PRO 48 22.720 28.060 13.411 383 HD3 PRO 48 HD3 PRO 48 24.028 27.390 14.406 384 H GLU 49 H GLU 49 21.413 26.436 11.741 385 HA GLU 49 HA GLU 49 19.442 24.491 10.979 386 HB2 GLU 49 HB2 GLU 49 18.314 26.349 9.882 387 HB3 GLU 49 HB3 GLU 49 18.823 26.813 11.499 388 HG2 GLU 49 HG2 GLU 49 20.929 27.728 10.244 389 HG3 GLU 49 HG3 GLU 49 19.842 27.722 8.856 390 H LYS 50 H LYS 50 22.279 25.866 9.559 391 HA LYS 50 HA LYS 50 21.598 24.713 6.943 392 HB2 LYS 50 HB2 LYS 50 23.647 26.769 7.767 393 HB3 LYS 50 HB3 LYS 50 23.615 26.042 6.166 394 HG2 LYS 50 HG2 LYS 50 21.702 27.139 5.552 395 HG3 LYS 50 HG3 LYS 50 21.132 27.304 7.215 396 HD2 LYS 50 HD2 LYS 50 21.765 29.465 6.763 397 HD3 LYS 50 HD3 LYS 50 23.256 28.826 7.458 398 HE2 LYS 50 HE2 LYS 50 24.069 28.359 5.165 399 HE3 LYS 50 HE3 LYS 50 22.611 29.117 4.526 400 HZ1 LYS 50 HZ1 LYS 50 23.641 30.950 6.279 401 HZ2 LYS 50 HZ2 LYS 50 23.739 31.012 4.591 402 HZ3 LYS 50 HZ3 LYS 50 25.003 30.333 5.487 403 H ARG 51 H ARG 51 23.441 24.157 9.723 404 HA ARG 51 HA ARG 51 25.771 22.985 8.827 405 HB2 ARG 51 HB2 ARG 51 24.694 23.311 11.250 406 HB3 ARG 51 HB3 ARG 51 24.319 21.608 11.027 407 HG2 ARG 51 HG2 ARG 51 26.465 20.969 11.242 408 HG3 ARG 51 HG3 ARG 51 27.084 22.390 10.399 409 HD2 ARG 51 HD2 ARG 51 27.426 23.501 12.309 410 HD3 ARG 51 HD3 ARG 51 25.854 23.034 12.957 411 HE ARG 51 HE ARG 51 28.386 21.744 13.435 412 HH11 ARG 51 HH11 ARG 51 24.922 21.405 13.473 413 HH12 ARG 51 HH12 ARG 51 24.930 20.110 14.624 414 HH21 ARG 51 HH21 ARG 51 28.411 20.039 14.951 415 HH22 ARG 51 HH22 ARG 51 26.916 19.335 15.464 416 H GLU 52 H GLU 52 26.346 21.065 7.942 417 HA GLU 52 HA GLU 52 24.154 19.229 7.233 418 HB2 GLU 52 HB2 GLU 52 26.757 19.709 5.773 419 HB3 GLU 52 HB3 GLU 52 25.498 18.586 5.280 420 HG2 GLU 52 HG2 GLU 52 24.104 20.243 4.556 421 HG3 GLU 52 HG3 GLU 52 24.775 21.442 5.660 422 H PHE 53 H PHE 53 24.663 16.956 7.127 423 HA PHE 53 HA PHE 53 27.006 16.151 8.704 424 HB2 PHE 53 HB2 PHE 53 24.353 14.800 9.108 425 HB3 PHE 53 HB3 PHE 53 25.769 14.790 10.155 426 HD1 PHE 53 HD2 PHE 53 26.461 17.390 10.783 427 HD2 PHE 53 HD1 PHE 53 22.556 15.886 10.002 428 HE1 PHE 53 HE2 PHE 53 25.494 19.223 12.108 429 HE2 PHE 53 HE1 PHE 53 21.583 17.717 11.326 430 HZ PHE 53 HZ PHE 53 23.052 19.388 12.382 431 H TRP 54 H TRP 54 27.789 14.055 8.288 432 HA TRP 54 HA TRP 54 27.288 13.150 5.598 433 HB2 TRP 54 HB2 TRP 54 29.101 11.945 7.699 434 HB3 TRP 54 HB3 TRP 54 29.138 11.621 5.968 435 HD1 TRP 54 HD1 TRP 54 30.912 13.573 8.449 436 HE1 TRP 54 HE1 TRP 54 32.226 15.508 7.375 437 HE3 TRP 54 HE3 TRP 54 28.701 13.595 3.840 438 HZ2 TRP 54 HZ2 TRP 54 32.313 16.864 4.901 439 HZ3 TRP 54 HZ3 TRP 54 29.457 15.243 2.177 440 HH2 TRP 54 HH2 TRP 54 31.226 16.843 2.698 441 H GLY 55 H GLY 55 26.184 11.379 4.952 442 HA2 GLY 55 HA2 GLY 55 25.107 9.614 7.061 443 HA3 GLY 55 HA3 GLY 55 24.094 10.219 5.759 444 H TRP 56 H TRP 56 23.985 7.643 5.915 445 HA TRP 56 HA TRP 56 26.086 6.269 4.529 446 HB2 TRP 56 HB2 TRP 56 24.046 5.472 6.172 447 HB3 TRP 56 HB3 TRP 56 23.443 4.980 4.592 448 HD1 TRP 56 HD1 TRP 56 27.069 4.783 5.968 449 HE1 TRP 56 HE1 TRP 56 27.860 2.343 5.760 450 HE3 TRP 56 HE3 TRP 56 22.767 2.687 4.169 451 HZ2 TRP 56 HZ2 TRP 56 26.800 -0.142 4.941 452 HZ3 TRP 56 HZ3 TRP 56 22.739 0.272 3.698 453 HH2 TRP 56 HH2 TRP 56 24.715 -1.112 4.077 454 H TRP 57 H TRP 57 22.661 6.808 3.674 455 HA TRP 57 HA TRP 57 21.630 7.142 1.674 456 HB2 TRP 57 HB2 TRP 57 23.624 8.867 1.579 457 HB3 TRP 57 HB3 TRP 57 24.225 7.780 0.330 458 HD1 TRP 57 HD1 TRP 57 20.556 8.894 0.897 459 HE1 TRP 57 HE1 TRP 57 19.721 10.003 -1.270 460 HE3 TRP 57 HE3 TRP 57 24.892 8.756 -1.808 461 HZ2 TRP 57 HZ2 TRP 57 20.763 10.724 -3.793 462 HZ3 TRP 57 HZ3 TRP 57 24.888 9.676 -4.090 463 HH2 TRP 57 HH2 TRP 57 22.865 10.639 -5.060 464 H MET 58 H MET 58 21.236 4.864 1.574 465 HA MET 58 HA MET 58 22.825 3.519 -0.511 466 HB2 MET 58 HB2 MET 58 22.987 2.617 1.903 467 HB3 MET 58 HB3 MET 58 21.349 2.031 1.645 468 HG2 MET 58 HG2 MET 58 23.237 1.339 -0.483 469 HG3 MET 58 HG3 MET 58 23.610 0.641 1.092 470 HE1 MET 58 HE1 MET 58 21.240 -2.054 1.680 471 HE2 MET 58 HE2 MET 58 22.586 -1.038 2.196 472 HE3 MET 58 HE3 MET 58 20.926 -0.515 2.483 473 H GLU 59 H GLU 59 21.694 3.263 -2.312 474 HA GLU 59 HA GLU 59 18.769 2.990 -2.113 475 HB2 GLU 59 HB2 GLU 59 18.789 3.724 -4.527 476 HB3 GLU 59 HB3 GLU 59 19.297 4.941 -3.364 477 HG2 GLU 59 HG2 GLU 59 21.648 4.415 -3.891 478 HG3 GLU 59 HG3 GLU 59 21.091 3.279 -5.117 479 H LEU 60 H LEU 60 17.984 1.034 -2.482 480 HA LEU 60 HA LEU 60 19.319 -0.689 -4.450 481 HB2 LEU 60 HB2 LEU 60 19.122 -2.609 -3.044 482 HB3 LEU 60 HB3 LEU 60 19.980 -1.351 -2.158 483 HG LEU 60 HG LEU 60 17.039 -1.837 -1.771 484 HD11 LEU 60 HD11 LEU 60 18.080 -3.003 0.386 485 HD12 LEU 60 HD12 LEU 60 19.346 -3.400 -0.775 486 HD13 LEU 60 HD13 LEU 60 17.682 -3.897 -1.081 487 HD21 LEU 60 HD21 LEU 60 17.237 -0.088 -0.422 488 HD22 LEU 60 HD22 LEU 60 18.965 0.016 -0.759 489 HD23 LEU 60 HD23 LEU 60 18.383 -1.001 0.561 490 H GLU 61 H GLU 61 17.935 -2.398 -5.302 491 HA GLU 61 HA GLU 61 15.062 -1.831 -5.021 492 HB2 GLU 61 HB2 GLU 61 16.397 -1.011 -7.195 493 HB3 GLU 61 HB3 GLU 61 16.063 -2.665 -7.691 494 HG2 GLU 61 HG2 GLU 61 13.652 -2.240 -7.196 495 HG3 GLU 61 HG3 GLU 61 14.067 -0.546 -6.941 496 H ALA 62 H ALA 62 14.192 -3.592 -4.157 497 HA ALA 62 HA ALA 62 15.288 -6.131 -4.049 498 HB1 ALA 62 HB1 ALA 62 12.428 -6.328 -4.087 499 HB2 ALA 62 HB2 ALA 62 13.540 -6.485 -2.727 500 HB3 ALA 62 HB3 ALA 62 12.921 -4.897 -3.181 501 H GLN 63 H GLN 63 15.335 -7.869 -5.357 502 HA GLN 63 HA GLN 63 14.207 -7.553 -8.041 503 HB2 GLN 63 HB2 GLN 63 16.605 -8.785 -6.946 504 HB3 GLN 63 HB3 GLN 63 15.744 -9.867 -8.033 505 HG2 GLN 63 HG2 GLN 63 15.706 -7.873 -9.651 506 HG3 GLN 63 HG3 GLN 63 16.959 -7.196 -8.613 507 HE21 GLN 63 HE21 GLN 63 16.229 -10.411 -9.934 508 HE22 GLN 63 HE22 GLN 63 17.809 -10.693 -10.574 509 H GLU 64 H GLU 64 13.818 -9.956 -9.004 510 HA GLU 64 HA GLU 64 11.374 -10.800 -8.052 511 HB2 GLU 64 HB2 GLU 64 12.681 -11.385 -10.246 512 HB3 GLU 64 HB3 GLU 64 13.226 -12.780 -9.325 513 HG2 GLU 64 HG2 GLU 64 10.754 -13.215 -8.861 514 HG3 GLU 64 HG3 GLU 64 10.440 -12.061 -10.155 515 H LYS 65 H LYS 65 14.548 -12.283 -7.419 516 HA LYS 65 HA LYS 65 13.572 -13.215 -4.839 517 HB2 LYS 65 HB2 LYS 65 14.381 -15.512 -5.226 518 HB3 LYS 65 HB3 LYS 65 13.057 -15.087 -6.303 519 HG2 LYS 65 HG2 LYS 65 14.307 -15.750 -8.002 520 HG3 LYS 65 HG3 LYS 65 15.390 -14.394 -7.678 521 HD2 LYS 65 HD2 LYS 65 16.894 -15.700 -6.519 522 HD3 LYS 65 HD3 LYS 65 15.677 -16.901 -6.083 523 HE2 LYS 65 HE2 LYS 65 16.349 -16.542 -8.959 524 HE3 LYS 65 HE3 LYS 65 17.507 -17.382 -7.929 525 HZ1 LYS 65 HZ1 LYS 65 14.966 -18.402 -7.380 526 HZ2 LYS 65 HZ2 LYS 65 16.275 -19.195 -8.099 527 HZ3 LYS 65 HZ3 LYS 65 15.148 -18.381 -9.062 528 H ARG 66 H ARG 66 15.547 -11.264 -5.881 529 HA ARG 66 HA ARG 66 17.797 -12.165 -4.254 530 HB2 ARG 66 HB2 ARG 66 18.031 -11.219 -7.112 531 HB3 ARG 66 HB3 ARG 66 19.391 -11.272 -5.998 532 HG2 ARG 66 HG2 ARG 66 19.738 -13.332 -6.755 533 HG3 ARG 66 HG3 ARG 66 18.330 -13.800 -5.799 534 HD2 ARG 66 HD2 ARG 66 17.875 -14.638 -7.931 535 HD3 ARG 66 HD3 ARG 66 16.952 -13.138 -7.852 536 HE ARG 66 HE ARG 66 19.467 -12.583 -8.952 537 HH11 ARG 66 HH11 ARG 66 16.535 -14.290 -9.734 538 HH12 ARG 66 HH12 ARG 66 16.713 -14.077 -11.444 539 HH21 ARG 66 HH21 ARG 66 19.713 -12.297 -11.201 540 HH22 ARG 66 HH22 ARG 66 18.522 -12.944 -12.278 541 H PHE 67 H PHE 67 19.419 -10.280 -4.016 542 HA PHE 67 HA PHE 67 17.976 -7.719 -3.921 543 HB2 PHE 67 HB2 PHE 67 19.047 -9.279 -1.703 544 HB3 PHE 67 HB3 PHE 67 19.690 -7.641 -1.742 545 HD1 PHE 67 HD2 PHE 67 17.940 -5.739 -2.011 546 HD2 PHE 67 HD1 PHE 67 17.010 -9.681 -0.703 547 HE1 PHE 67 HE2 PHE 67 15.873 -4.903 -0.972 548 HE2 PHE 67 HE1 PHE 67 14.940 -8.851 0.338 549 HZ PHE 67 HZ PHE 67 14.370 -6.459 0.205 550 H THR 68 H THR 68 19.279 -5.841 -4.035 551 HA THR 68 HA THR 68 22.034 -6.317 -4.966 552 HB THR 68 HB THR 68 20.489 -5.734 -6.839 553 HG1 THR 68 HG1 THR 68 22.482 -5.122 -7.368 554 HG21 THR 68 HG21 THR 68 19.632 -3.463 -7.013 555 HG22 THR 68 HG22 THR 68 20.304 -3.068 -5.431 556 HG23 THR 68 HG23 THR 68 18.996 -4.242 -5.565 557 H TYR 69 H TYR 69 23.518 -4.547 -4.656 558 HA TYR 69 HA TYR 69 22.712 -2.409 -2.862 559 HB2 TYR 69 HB2 TYR 69 24.871 -4.377 -2.075 560 HB3 TYR 69 HB3 TYR 69 24.415 -2.930 -1.183 561 HD1 TYR 69 HD2 TYR 69 23.415 -6.342 -2.093 562 HD2 TYR 69 HD1 TYR 69 22.403 -2.874 0.154 563 HE1 TYR 69 HE2 TYR 69 21.747 -7.647 -0.843 564 HE2 TYR 69 HE1 TYR 69 20.733 -4.169 1.411 565 HH TYR 69 HH TYR 69 19.426 -6.844 0.516 566 H ARG 70 H ARG 70 24.171 -0.673 -2.799 567 HA ARG 70 HA ARG 70 26.545 -0.852 -4.500 568 HB2 ARG 70 HB2 ARG 70 24.595 1.427 -4.798 569 HB3 ARG 70 HB3 ARG 70 25.973 1.039 -5.818 570 HG2 ARG 70 HG2 ARG 70 24.695 -1.157 -6.300 571 HG3 ARG 70 HG3 ARG 70 23.295 -0.275 -5.685 572 HD2 ARG 70 HD2 ARG 70 25.054 0.927 -7.788 573 HD3 ARG 70 HD3 ARG 70 23.803 -0.236 -8.225 574 HE ARG 70 HE ARG 70 22.520 1.611 -6.673 575 HH11 ARG 70 HH11 ARG 70 24.425 1.722 -9.585 576 HH12 ARG 70 HH12 ARG 70 23.601 3.105 -10.227 577 HH21 ARG 70 HH21 ARG 70 21.428 3.432 -7.507 578 HH22 ARG 70 HH22 ARG 70 21.897 4.077 -9.044 579 H TYR 71 H TYR 71 28.006 0.993 -4.231 580 HA TYR 71 HA TYR 71 27.910 1.972 -1.472 581 HB2 TYR 71 HB2 TYR 71 30.250 2.116 -3.373 582 HB3 TYR 71 HB3 TYR 71 30.273 2.288 -1.621 583 HD1 TYR 71 HD1 TYR 71 28.628 -0.013 -0.785 584 HD2 TYR 71 HD2 TYR 71 31.613 0.275 -3.803 585 HE1 TYR 71 HE1 TYR 71 29.088 -2.418 -0.551 586 HE2 TYR 71 HE2 TYR 71 32.080 -2.130 -3.579 587 HH TYR 71 HH TYR 71 30.467 -4.093 -1.116 588 H GLN 72 H GLN 72 26.834 3.848 -1.355 589 HA GLN 72 HA GLN 72 27.765 6.049 -3.060 590 HB2 GLN 72 HB2 GLN 72 25.396 4.906 -3.577 591 HB3 GLN 72 HB3 GLN 72 24.889 6.030 -2.323 592 HG2 GLN 72 HG2 GLN 72 24.559 7.251 -4.243 593 HG3 GLN 72 HG3 GLN 72 26.155 7.792 -3.726 594 HE21 GLN 72 HE21 GLN 72 27.664 7.825 -5.222 595 HE22 GLN 72 HE22 GLN 72 27.670 6.907 -6.685 596 H PHE 73 H PHE 73 27.745 8.088 -2.111 597 HA PHE 73 HA PHE 73 27.269 8.090 0.797 598 HB2 PHE 73 HB2 PHE 73 29.190 9.888 -0.683 599 HB3 PHE 73 HB3 PHE 73 29.065 9.650 1.056 600 HD1 PHE 73 HD1 PHE 73 28.952 6.745 1.290 601 HD2 PHE 73 HD2 PHE 73 31.313 9.193 -1.269 602 HE1 PHE 73 HE1 PHE 73 30.655 4.972 1.171 603 HE2 PHE 73 HE2 PHE 73 33.019 7.425 -1.393 604 HZ PHE 73 HZ PHE 73 32.691 5.311 -0.173 605 H GLY 74 H GLY 74 26.062 9.697 1.692 606 HA2 GLY 74 HA2 GLY 74 25.099 11.824 -0.111 607 HA3 GLY 74 HA3 GLY 74 23.972 10.895 0.866 608 H LEU 75 H LEU 75 23.836 13.520 1.185 609 HA LEU 75 HA LEU 75 24.865 13.891 3.887 610 HB2 LEU 75 HB2 LEU 75 26.569 14.988 2.694 611 HB3 LEU 75 HB3 LEU 75 25.423 15.713 1.568 612 HG LEU 75 HG LEU 75 25.136 16.513 4.396 613 HD11 LEU 75 HD11 LEU 75 27.298 16.977 4.689 614 HD12 LEU 75 HD12 LEU 75 27.052 18.274 3.521 615 HD13 LEU 75 HD13 LEU 75 27.677 16.715 2.987 616 HD21 LEU 75 HD21 LEU 75 25.409 18.428 2.159 617 HD22 LEU 75 HD22 LEU 75 24.259 18.397 3.496 618 HD23 LEU 75 HD23 LEU 75 24.026 17.335 2.106 619 H PHE 76 H PHE 76 23.614 15.242 5.170 620 HA PHE 76 HA PHE 76 20.960 15.818 4.087 621 HB2 PHE 76 HB2 PHE 76 21.822 15.957 6.977 622 HB3 PHE 76 HB3 PHE 76 20.181 15.865 6.347 623 HD1 PHE 76 HD2 PHE 76 20.516 13.705 4.338 624 HD2 PHE 76 HD1 PHE 76 21.974 14.063 8.321 625 HE1 PHE 76 HE2 PHE 76 20.580 11.252 4.531 626 HE2 PHE 76 HE1 PHE 76 22.041 11.611 8.520 627 HZ PHE 76 HZ PHE 76 21.344 10.203 6.624 628 H ASP 77 H ASP 77 20.475 17.807 3.468 629 HA ASP 77 HA ASP 77 22.104 20.042 4.429 630 HB2 ASP 77 HB2 ASP 77 21.420 19.441 1.907 631 HB3 ASP 77 HB3 ASP 77 20.040 20.450 2.330 632 H LYS 78 H LYS 78 20.578 22.190 4.257 633 HA LYS 78 HA LYS 78 19.055 22.189 6.594 634 HB2 LYS 78 HB2 LYS 78 18.407 24.421 6.019 635 HB3 LYS 78 HB3 LYS 78 20.068 24.195 5.487 636 HG2 LYS 78 HG2 LYS 78 19.335 23.896 3.204 637 HG3 LYS 78 HG3 LYS 78 17.647 24.004 3.706 638 HD2 LYS 78 HD2 LYS 78 19.626 26.216 4.198 639 HD3 LYS 78 HD3 LYS 78 18.679 26.103 2.713 640 HE2 LYS 78 HE2 LYS 78 17.277 25.947 5.339 641 HE3 LYS 78 HE3 LYS 78 17.831 27.518 4.761 642 HZ1 LYS 78 HZ1 LYS 78 16.592 27.101 2.691 643 HZ2 LYS 78 HZ2 LYS 78 15.587 27.157 4.050 644 HZ3 LYS 78 HZ3 LYS 78 15.985 25.668 3.353 645 H GLU 79 H GLU 79 18.217 21.281 3.378 646 HA GLU 79 HA GLU 79 15.359 21.257 4.072 647 HB2 GLU 79 HB2 GLU 79 15.206 20.724 1.511 648 HB3 GLU 79 HB3 GLU 79 15.468 22.374 2.058 649 HG2 GLU 79 HG2 GLU 79 17.768 22.287 1.521 650 HG3 GLU 79 HG3 GLU 79 17.717 20.541 1.285 651 H GLY 80 H GLY 80 18.054 19.269 3.851 652 HA2 GLY 80 HA2 GLY 80 18.286 16.996 4.121 653 HA3 GLY 80 HA3 GLY 80 16.554 16.919 4.408 654 H ASN 81 H ASN 81 17.212 18.448 1.493 655 HA ASN 81 HA ASN 81 16.142 16.247 -0.005 656 HB2 ASN 81 HB2 ASN 81 15.862 17.744 -1.740 657 HB3 ASN 81 HB3 ASN 81 15.867 18.844 -0.364 658 HD21 ASN 81 HD21 ASN 81 18.465 19.098 0.251 659 HD22 ASN 81 HD22 ASN 81 19.341 19.792 -1.067 660 H TRP 82 H TRP 82 17.155 15.267 -1.851 661 HA TRP 82 HA TRP 82 19.659 14.199 -1.379 662 HB2 TRP 82 HB2 TRP 82 19.631 13.519 -3.779 663 HB3 TRP 82 HB3 TRP 82 18.134 13.149 -2.928 664 HD1 TRP 82 HD1 TRP 82 15.958 14.593 -3.585 665 HE1 TRP 82 HE1 TRP 82 15.386 15.938 -5.704 666 HE3 TRP 82 HE3 TRP 82 20.643 14.968 -5.598 667 HZ2 TRP 82 HZ2 TRP 82 16.741 17.014 -7.934 668 HZ3 TRP 82 HZ3 TRP 82 20.919 16.171 -7.726 669 HH2 TRP 82 HH2 TRP 82 19.007 17.172 -8.869 670 H THR 83 H THR 83 21.634 15.024 -1.442 671 HA THR 83 HA THR 83 22.278 17.082 -3.423 672 HB THR 83 HB THR 83 23.214 17.413 -0.582 673 HG1 THR 83 HG1 THR 83 21.481 19.022 -0.470 674 HG21 THR 83 HG21 THR 83 24.457 18.959 -1.626 675 HG22 THR 83 HG22 THR 83 22.961 19.879 -1.792 676 HG23 THR 83 HG23 THR 83 23.508 18.839 -3.107 677 H VAL 84 H VAL 84 23.782 16.041 -4.580 678 HA VAL 84 HA VAL 84 25.556 14.096 -3.525 679 HB VAL 84 HB VAL 84 26.750 14.347 -5.725 680 HG11 VAL 84 HG11 VAL 84 24.492 13.025 -5.131 681 HG12 VAL 84 HG12 VAL 84 23.899 14.053 -6.437 682 HG13 VAL 84 HG13 VAL 84 25.259 12.965 -6.717 683 HG21 VAL 84 HG21 VAL 84 26.438 16.147 -6.986 684 HG22 VAL 84 HG22 VAL 84 24.709 15.812 -7.080 685 HG23 VAL 84 HG23 VAL 84 25.346 16.797 -5.763 686 H VAL 85 H VAL 85 27.228 14.477 -2.241 687 HA VAL 85 HA VAL 85 29.049 16.668 -2.857 688 HB VAL 85 HB VAL 85 27.545 17.683 -1.241 689 HG11 VAL 85 HG11 VAL 85 26.706 15.645 -0.191 690 HG12 VAL 85 HG12 VAL 85 28.276 15.385 0.572 691 HG13 VAL 85 HG13 VAL 85 27.299 16.784 1.018 692 HG21 VAL 85 HG21 VAL 85 29.205 18.223 0.538 693 HG22 VAL 85 HG22 VAL 85 30.248 16.960 -0.116 694 HG23 VAL 85 HG23 VAL 85 29.840 18.365 -1.101 695 HA PRO 86 HA PRO 86 31.932 13.444 -1.926 696 HB2 PRO 86 HB2 PRO 86 34.177 14.970 -1.939 697 HB3 PRO 86 HB3 PRO 86 33.333 14.490 -3.416 698 HG2 PRO 86 HG2 PRO 86 33.207 17.080 -1.919 699 HG3 PRO 86 HG3 PRO 86 33.307 16.802 -3.667 700 HD2 PRO 86 HD2 PRO 86 30.980 17.401 -2.418 701 HD3 PRO 86 HD3 PRO 86 31.052 16.358 -3.852 702 H ILE 87 H ILE 87 32.881 12.604 -0.131 703 HA ILE 87 HA ILE 87 32.402 13.855 2.380 704 HB ILE 87 HB ILE 87 34.119 11.438 1.805 705 HG12 ILE 87 HG12 ILE 87 31.822 11.186 0.935 706 HG13 ILE 87 HG13 ILE 87 32.130 10.110 2.294 707 HG21 ILE 87 HG21 ILE 87 34.543 12.323 4.001 708 HG22 ILE 87 HG22 ILE 87 32.815 12.431 4.333 709 HG23 ILE 87 HG23 ILE 87 33.581 10.853 4.154 710 HD11 ILE 87 HD11 ILE 87 30.587 12.690 2.356 711 HD12 ILE 87 HD12 ILE 87 29.937 11.057 2.496 712 HD13 ILE 87 HD13 ILE 87 30.968 11.708 3.770 713 H ASN 88 H ASN 88 33.572 15.451 3.201 714 HA ASN 88 HA ASN 88 36.295 15.905 2.330 715 HB2 ASN 88 HB2 ASN 88 34.320 17.417 4.005 716 HB3 ASN 88 HB3 ASN 88 36.028 17.844 4.073 717 HD21 ASN 88 HD21 ASN 88 35.486 19.883 3.200 718 HD22 ASN 88 HD22 ASN 88 35.178 20.072 1.511 719 H GLU 89 H GLU 89 38.075 16.171 3.810 720 HA GLU 89 HA GLU 89 39.450 15.492 5.490 721 HB2 GLU 89 HB2 GLU 89 36.957 15.037 7.129 722 HB3 GLU 89 HB3 GLU 89 38.584 15.352 7.718 723 HG2 GLU 89 HG2 GLU 89 38.354 17.591 6.451 724 HG3 GLU 89 HG3 GLU 89 36.627 17.240 6.482 725 H THR 90 H THR 90 40.395 13.636 4.912 726 HA THR 90 HA THR 90 39.183 11.218 4.325 727 HB THR 90 HB THR 90 41.522 11.715 3.757 728 HG1 THR 90 HG1 THR 90 41.452 9.414 5.424 729 HG21 THR 90 HG21 THR 90 42.550 10.926 6.401 730 HG22 THR 90 HG22 THR 90 41.811 12.526 6.330 731 HG23 THR 90 HG23 THR 90 43.155 12.127 5.261 732 H GLU 91 H GLU 91 40.040 12.578 7.418 733 HA GLU 91 HA GLU 91 40.062 10.295 9.010 734 HB2 GLU 91 HB2 GLU 91 39.275 11.876 10.843 735 HB3 GLU 91 HB3 GLU 91 40.761 12.313 10.012 736 HG2 GLU 91 HG2 GLU 91 39.665 13.994 8.751 737 HG3 GLU 91 HG3 GLU 91 38.076 13.437 9.271 738 H VAL 92 H VAL 92 37.354 12.231 7.845 739 HA VAL 92 HA VAL 92 35.394 10.744 9.336 740 HB VAL 92 HB VAL 92 35.045 12.701 7.061 741 HG11 VAL 92 HG11 VAL 92 32.742 12.579 8.669 742 HG12 VAL 92 HG12 VAL 92 32.920 12.061 6.992 743 HG13 VAL 92 HG13 VAL 92 33.186 10.912 8.303 744 HG21 VAL 92 HG21 VAL 92 35.212 12.978 10.022 745 HG22 VAL 92 HG22 VAL 92 35.867 14.014 8.755 746 HG23 VAL 92 HG23 VAL 92 34.143 14.056 9.125 747 H VAL 93 H VAL 93 36.465 10.882 5.960 748 HA VAL 93 HA VAL 93 34.625 9.181 4.796 749 HB VAL 93 HB VAL 93 36.894 10.436 3.924 750 HG11 VAL 93 HG11 VAL 93 38.390 8.788 3.004 751 HG12 VAL 93 HG12 VAL 93 38.262 8.540 4.747 752 HG13 VAL 93 HG13 VAL 93 37.395 7.477 3.638 753 HG21 VAL 93 HG21 VAL 93 34.750 9.783 2.725 754 HG22 VAL 93 HG22 VAL 93 36.228 9.776 1.763 755 HG23 VAL 93 HG23 VAL 93 35.550 8.257 2.349 756 H GLU 94 H GLU 94 37.415 8.414 6.773 757 HA GLU 94 HA GLU 94 37.590 5.667 6.208 758 HB2 GLU 94 HB2 GLU 94 38.387 7.317 8.596 759 HB3 GLU 94 HB3 GLU 94 38.642 5.579 8.550 760 HG2 GLU 94 HG2 GLU 94 39.756 7.557 6.575 761 HG3 GLU 94 HG3 GLU 94 40.643 6.829 7.912 762 H ARG 95 H ARG 95 35.505 7.495 8.333 763 HA ARG 95 HA ARG 95 34.535 5.239 9.799 764 HB2 ARG 95 HB2 ARG 95 34.416 7.406 10.829 765 HB3 ARG 95 HB3 ARG 95 33.496 8.055 9.478 766 HG2 ARG 95 HG2 ARG 95 32.017 7.692 11.323 767 HG3 ARG 95 HG3 ARG 95 31.644 6.520 10.058 768 HD2 ARG 95 HD2 ARG 95 31.613 5.373 12.153 769 HD3 ARG 95 HD3 ARG 95 33.058 4.866 11.280 770 HE ARG 95 HE ARG 95 33.558 7.056 13.048 771 HH11 ARG 95 HH11 ARG 95 33.205 3.597 12.870 772 HH12 ARG 95 HH12 ARG 95 34.174 3.295 14.274 773 HH21 ARG 95 HH21 ARG 95 34.837 6.671 14.897 774 HH22 ARG 95 HH22 ARG 95 35.101 5.045 15.426 775 H LEU 96 H LEU 96 33.499 7.003 6.938 776 HA LEU 96 HA LEU 96 30.967 5.728 6.701 777 HB2 LEU 96 HB2 LEU 96 32.673 7.436 4.965 778 HB3 LEU 96 HB3 LEU 96 31.370 6.519 4.210 779 HG LEU 96 HG LEU 96 30.765 8.861 4.752 780 HD11 LEU 96 HD11 LEU 96 29.104 7.084 6.483 781 HD12 LEU 96 HD12 LEU 96 29.184 6.798 4.745 782 HD13 LEU 96 HD13 LEU 96 28.602 8.346 5.358 783 HD21 LEU 96 HD21 LEU 96 30.430 9.530 7.045 784 HD22 LEU 96 HD22 LEU 96 32.107 9.034 6.820 785 HD23 LEU 96 HD23 LEU 96 30.967 7.951 7.620 786 H GLU 97 H GLU 97 34.153 5.147 5.269 787 HA GLU 97 HA GLU 97 33.345 3.041 3.563 788 HB2 GLU 97 HB2 GLU 97 36.047 3.701 4.745 789 HB3 GLU 97 HB3 GLU 97 35.783 2.481 3.508 790 HG2 GLU 97 HG2 GLU 97 35.528 5.453 3.300 791 HG3 GLU 97 HG3 GLU 97 36.495 4.348 2.325 792 H TYR 98 H TYR 98 34.573 3.119 6.873 793 HA TYR 98 HA TYR 98 34.775 0.295 7.158 794 HB2 TYR 98 HB2 TYR 98 36.059 1.777 8.596 795 HB3 TYR 98 HB3 TYR 98 34.580 2.485 9.237 796 HD1 TYR 98 HD2 TYR 98 33.069 1.078 10.659 797 HD2 TYR 98 HD1 TYR 98 36.947 -0.227 9.492 798 HE1 TYR 98 HE2 TYR 98 33.035 -0.606 12.451 799 HE2 TYR 98 HE1 TYR 98 36.924 -1.916 11.281 800 HH TYR 98 HH TYR 98 34.190 -2.170 13.530 801 H THR 99 H THR 99 32.272 2.670 7.873 802 HA THR 99 HA THR 99 30.541 0.940 9.287 803 HB THR 99 HB THR 99 28.753 2.635 8.566 804 HG1 THR 99 HG1 THR 99 29.809 3.465 6.734 805 HG21 THR 99 HG21 THR 99 29.272 3.406 10.591 806 HG22 THR 99 HG22 THR 99 30.492 4.438 9.845 807 HG23 THR 99 HG23 THR 99 30.931 2.832 10.426 808 H LEU 100 H LEU 100 31.173 1.397 5.914 809 HA LEU 100 HA LEU 100 28.737 0.249 4.956 810 HB2 LEU 100 HB2 LEU 100 29.516 0.710 2.891 811 HB3 LEU 100 HB3 LEU 100 30.615 1.746 3.799 812 HG LEU 100 HG LEU 100 32.143 -0.403 3.749 813 HD11 LEU 100 HD11 LEU 100 29.978 -1.089 1.976 814 HD12 LEU 100 HD12 LEU 100 31.327 -2.075 2.539 815 HD13 LEU 100 HD13 LEU 100 31.516 -1.055 1.113 816 HD21 LEU 100 HD21 LEU 100 32.209 0.821 1.110 817 HD22 LEU 100 HD22 LEU 100 33.406 0.853 2.405 818 HD23 LEU 100 HD23 LEU 100 32.069 2.003 2.411 819 H ARG 101 H ARG 101 31.928 -0.968 5.766 820 HA ARG 101 HA ARG 101 31.536 -3.563 4.645 821 HB2 ARG 101 HB2 ARG 101 33.639 -2.136 5.992 822 HB3 ARG 101 HB3 ARG 101 33.449 -3.729 6.711 823 HG2 ARG 101 HG2 ARG 101 33.901 -3.146 3.792 824 HG3 ARG 101 HG3 ARG 101 35.097 -3.765 4.932 825 HD2 ARG 101 HD2 ARG 101 32.595 -5.132 3.961 826 HD3 ARG 101 HD3 ARG 101 34.266 -5.614 3.671 827 HE ARG 101 HE ARG 101 33.990 -5.638 6.393 828 HH11 ARG 101 HH11 ARG 101 32.378 -7.179 3.720 829 HH12 ARG 101 HH12 ARG 101 31.958 -8.597 4.622 830 HH21 ARG 101 HH21 ARG 101 33.442 -7.499 7.591 831 HH22 ARG 101 HH22 ARG 101 32.563 -8.778 6.824 832 H GLU 102 H GLU 102 31.434 -2.292 7.968 833 HA GLU 102 HA GLU 102 30.781 -4.684 9.253 834 HB2 GLU 102 HB2 GLU 102 29.967 -3.280 11.093 835 HB3 GLU 102 HB3 GLU 102 31.505 -2.697 10.470 836 HG2 GLU 102 HG2 GLU 102 30.286 -0.758 10.756 837 HG3 GLU 102 HG3 GLU 102 30.080 -1.105 9.041 838 H PHE 103 H PHE 103 28.818 -2.450 7.444 839 HA PHE 103 HA PHE 103 26.294 -3.379 8.388 840 HB2 PHE 103 HB2 PHE 103 27.048 -1.196 7.006 841 HB3 PHE 103 HB3 PHE 103 26.478 -2.196 5.674 842 HD1 PHE 103 HD2 PHE 103 24.125 -3.033 5.695 843 HD2 PHE 103 HD1 PHE 103 25.545 -0.136 8.472 844 HE1 PHE 103 HE2 PHE 103 21.806 -2.388 6.204 845 HE2 PHE 103 HE1 PHE 103 23.228 0.512 8.986 846 HZ PHE 103 HZ PHE 103 21.355 -0.613 7.851 847 H HIS 104 H HIS 104 28.366 -4.189 5.654 848 HA HIS 104 HA HIS 104 26.612 -5.797 4.208 849 HB2 HIS 104 HB2 HIS 104 28.717 -5.165 3.243 850 HB3 HIS 104 HB3 HIS 104 29.611 -5.963 4.534 851 HD1 HIS 104 HD1 HIS 104 29.552 -8.620 4.514 852 HD2 HIS 104 HD2 HIS 104 28.060 -6.764 1.110 853 HE1 HIS 104 HE1 HIS 104 29.467 -10.414 2.754 854 H GLU 105 H GLU 105 28.474 -6.481 7.092 855 HA GLU 105 HA GLU 105 28.093 -9.308 7.032 856 HB2 GLU 105 HB2 GLU 105 29.630 -7.535 8.524 857 HB3 GLU 105 HB3 GLU 105 28.487 -8.188 9.689 858 HG2 GLU 105 HG2 GLU 105 29.168 -10.447 9.127 859 HG3 GLU 105 HG3 GLU 105 30.275 -9.825 7.905 860 H LYS 106 H LYS 106 26.538 -6.657 8.816 861 HA LYS 106 HA LYS 106 24.683 -8.301 10.185 862 HB2 LYS 106 HB2 LYS 106 23.933 -6.374 11.131 863 HB3 LYS 106 HB3 LYS 106 25.440 -5.746 10.478 864 HG2 LYS 106 HG2 LYS 106 24.109 -5.099 8.418 865 HG3 LYS 106 HG3 LYS 106 22.666 -5.439 9.376 866 HD2 LYS 106 HD2 LYS 106 24.832 -3.461 10.087 867 HD3 LYS 106 HD3 LYS 106 23.243 -3.060 9.433 868 HE2 LYS 106 HE2 LYS 106 22.177 -4.009 11.404 869 HE3 LYS 106 HE3 LYS 106 23.749 -4.478 12.048 870 HZ1 LYS 106 HZ1 LYS 106 23.819 -1.745 11.441 871 HZ2 LYS 106 HZ2 LYS 106 23.933 -2.485 12.958 872 HZ3 LYS 106 HZ3 LYS 106 22.420 -2.037 12.346 873 H LEU 107 H LEU 107 24.660 -6.727 7.060 874 HA LEU 107 HA LEU 107 21.899 -6.950 6.525 875 HB2 LEU 107 HB2 LEU 107 23.963 -5.759 5.283 876 HB3 LEU 107 HB3 LEU 107 23.789 -7.188 4.267 877 HG LEU 107 HG LEU 107 22.558 -5.447 3.235 878 HD11 LEU 107 HD11 LEU 107 21.443 -7.594 3.197 879 HD12 LEU 107 HD12 LEU 107 20.252 -6.299 3.318 880 HD13 LEU 107 HD13 LEU 107 20.669 -7.249 4.744 881 HD21 LEU 107 HD21 LEU 107 20.535 -4.751 5.050 882 HD22 LEU 107 HD22 LEU 107 21.837 -3.729 4.441 883 HD23 LEU 107 HD23 LEU 107 22.053 -4.636 5.940 884 H ARG 108 H ARG 108 24.614 -9.138 6.024 885 HA ARG 108 HA ARG 108 23.421 -11.036 4.392 886 HB2 ARG 108 HB2 ARG 108 25.569 -11.175 6.477 887 HB3 ARG 108 HB3 ARG 108 24.990 -12.653 5.721 888 HG2 ARG 108 HG2 ARG 108 25.817 -10.370 3.996 889 HG3 ARG 108 HG3 ARG 108 27.052 -11.376 4.756 890 HD2 ARG 108 HD2 ARG 108 25.783 -13.366 3.795 891 HD3 ARG 108 HD3 ARG 108 24.913 -12.191 2.810 892 HE ARG 108 HE ARG 108 26.751 -12.033 1.471 893 HH11 ARG 108 HH11 ARG 108 27.719 -13.365 4.539 894 HH12 ARG 108 HH12 ARG 108 29.347 -13.678 4.037 895 HH21 ARG 108 HH21 ARG 108 28.892 -12.441 0.799 896 HH22 ARG 108 HH22 ARG 108 30.014 -13.151 1.910 897 H ASP 109 H ASP 109 23.385 -10.799 7.932 898 HA ASP 109 HA ASP 109 22.016 -13.151 8.501 899 HB2 ASP 109 HB2 ASP 109 23.096 -11.593 10.162 900 HB3 ASP 109 HB3 ASP 109 21.688 -10.547 9.998 901 H LEU 110 H LEU 110 20.724 -9.913 7.821 902 HA LEU 110 HA LEU 110 18.015 -10.512 8.172 903 HB2 LEU 110 HB2 LEU 110 18.767 -8.239 8.023 904 HB3 LEU 110 HB3 LEU 110 19.371 -8.500 6.388 905 HG LEU 110 HG LEU 110 16.957 -8.911 5.717 906 HD11 LEU 110 HD11 LEU 110 16.513 -8.895 8.422 907 HD12 LEU 110 HD12 LEU 110 15.279 -8.721 7.175 908 HD13 LEU 110 HD13 LEU 110 15.977 -7.288 7.930 909 HD21 LEU 110 HD21 LEU 110 18.372 -6.766 5.467 910 HD22 LEU 110 HD22 LEU 110 17.359 -6.135 6.767 911 HD23 LEU 110 HD23 LEU 110 16.625 -6.662 5.251 912 H LEU 111 H LEU 111 19.962 -10.503 5.190 913 HA LEU 111 HA LEU 111 17.915 -11.358 3.470 914 HB2 LEU 111 HB2 LEU 111 20.823 -11.076 3.371 915 HB3 LEU 111 HB3 LEU 111 20.200 -12.363 2.341 916 HG LEU 111 HG LEU 111 18.945 -10.851 1.037 917 HD11 LEU 111 HD11 LEU 111 18.789 -8.438 1.611 918 HD12 LEU 111 HD12 LEU 111 19.521 -8.805 3.172 919 HD13 LEU 111 HD13 LEU 111 17.956 -9.498 2.748 920 HD21 LEU 111 HD21 LEU 111 20.895 -8.897 0.929 921 HD22 LEU 111 HD22 LEU 111 20.883 -10.413 0.027 922 HD23 LEU 111 HD23 LEU 111 21.748 -10.306 1.561 923 H ILE 112 H ILE 112 20.052 -13.106 5.606 924 HA ILE 112 HA ILE 112 19.642 -15.689 4.510 925 HB ILE 112 HB ILE 112 20.535 -14.778 7.240 926 HG12 ILE 112 HG12 ILE 112 22.198 -16.357 5.330 927 HG13 ILE 112 HG13 ILE 112 21.912 -14.658 4.971 928 HG21 ILE 112 HG21 ILE 112 19.467 -16.870 7.622 929 HG22 ILE 112 HG22 ILE 112 20.209 -17.580 6.189 930 HG23 ILE 112 HG23 ILE 112 21.205 -17.171 7.586 931 HD11 ILE 112 HD11 ILE 112 23.820 -15.782 6.708 932 HD12 ILE 112 HD12 ILE 112 23.498 -14.076 6.391 933 HD13 ILE 112 HD13 ILE 112 22.661 -14.902 7.705 934 H SER 113 H SER 113 17.862 -13.718 6.774 935 HA SER 113 HA SER 113 16.218 -15.833 7.778 936 HB2 SER 113 HB2 SER 113 15.495 -14.272 9.232 937 HB3 SER 113 HB3 SER 113 16.716 -13.213 8.525 938 HG SER 113 HG SER 113 14.627 -12.265 8.514 939 H MET 114 H MET 114 16.188 -13.842 4.972 940 HA MET 114 HA MET 114 13.432 -14.672 4.357 941 HB2 MET 114 HB2 MET 114 13.902 -12.864 2.451 942 HB3 MET 114 HB3 MET 114 13.315 -12.417 4.047 943 HG2 MET 114 HG2 MET 114 15.348 -11.566 4.707 944 HG3 MET 114 HG3 MET 114 16.249 -12.528 3.537 945 HE1 MET 114 HE1 MET 114 13.686 -9.823 4.080 946 HE2 MET 114 HE2 MET 114 15.130 -8.815 4.176 947 HE3 MET 114 HE3 MET 114 14.002 -8.615 2.834 948 H GLU 115 H GLU 115 16.504 -15.631 3.829 949 HA GLU 115 HA GLU 115 17.531 -16.977 2.310 950 HB2 GLU 115 HB2 GLU 115 14.786 -17.485 1.166 951 HB3 GLU 115 HB3 GLU 115 16.190 -18.542 1.102 952 HG2 GLU 115 HG2 GLU 115 16.066 -18.792 3.557 953 HG3 GLU 115 HG3 GLU 115 14.593 -17.823 3.549 954 H LEU 116 H LEU 116 17.577 -14.313 1.671 955 HA LEU 116 HA LEU 116 17.001 -14.181 -1.203 956 HB2 LEU 116 HB2 LEU 116 17.208 -12.209 0.975 957 HB3 LEU 116 HB3 LEU 116 17.879 -11.702 -0.574 958 HG LEU 116 HG LEU 116 15.536 -10.972 -0.196 959 HD11 LEU 116 HD11 LEU 116 15.019 -12.663 -2.443 960 HD12 LEU 116 HD12 LEU 116 16.694 -12.116 -2.489 961 HD13 LEU 116 HD13 LEU 116 15.385 -10.938 -2.406 962 HD21 LEU 116 HD21 LEU 116 14.513 -13.682 -0.762 963 HD22 LEU 116 HD22 LEU 116 13.820 -12.384 0.209 964 HD23 LEU 116 HD23 LEU 116 15.104 -13.395 0.875 965 H ALA 117 H ALA 117 18.578 -14.127 -2.690 966 HA ALA 117 HA ALA 117 21.272 -14.687 -1.888 967 HB1 ALA 117 HB1 ALA 117 21.748 -14.896 -4.237 968 HB2 ALA 117 HB2 ALA 117 20.211 -15.690 -3.890 969 HB3 ALA 117 HB3 ALA 117 20.229 -14.101 -4.655 970 H LEU 118 H LEU 118 23.146 -13.467 -2.658 971 HA LEU 118 HA LEU 118 22.665 -10.584 -2.422 972 HB2 LEU 118 HB2 LEU 118 24.976 -12.373 -1.827 973 HB3 LEU 118 HB3 LEU 118 25.274 -10.671 -2.174 974 HG LEU 118 HG LEU 118 25.181 -11.141 0.235 975 HD11 LEU 118 HD11 LEU 118 24.503 -8.943 -0.707 976 HD12 LEU 118 HD12 LEU 118 23.739 -9.327 0.835 977 HD13 LEU 118 HD13 LEU 118 22.827 -9.491 -0.665 978 HD21 LEU 118 HD21 LEU 118 22.281 -11.819 -0.231 979 HD22 LEU 118 HD22 LEU 118 23.141 -11.811 1.309 980 HD23 LEU 118 HD23 LEU 118 23.547 -13.007 0.077 981 H GLU 119 H GLU 119 23.428 -9.117 -3.911 982 HA GLU 119 HA GLU 119 24.618 -10.226 -6.364 983 HB2 GLU 119 HB2 GLU 119 22.507 -8.066 -6.232 984 HB3 GLU 119 HB3 GLU 119 23.267 -8.680 -7.694 985 HG2 GLU 119 HG2 GLU 119 22.213 -10.780 -7.477 986 HG3 GLU 119 HG3 GLU 119 21.693 -10.428 -5.830 987 HA PRO 120 HA PRO 120 27.675 -7.092 -6.048 988 HB2 PRO 120 HB2 PRO 120 28.229 -6.640 -8.667 989 HB3 PRO 120 HB3 PRO 120 28.725 -8.110 -7.820 990 HG2 PRO 120 HG2 PRO 120 26.384 -7.667 -9.632 991 HG3 PRO 120 HG3 PRO 120 27.503 -9.041 -9.565 992 HD2 PRO 120 HD2 PRO 120 25.038 -9.114 -8.447 993 HD3 PRO 120 HD3 PRO 120 26.421 -9.997 -7.769 994 H SER 121 H SER 121 28.250 -4.870 -6.846 995 HA SER 121 HA SER 121 25.840 -3.246 -6.900 996 HB2 SER 121 HB2 SER 121 27.488 -2.519 -5.331 997 HB3 SER 121 HB3 SER 121 28.766 -2.580 -6.545 998 HG SER 121 HG SER 121 26.586 -0.934 -7.078 999 H ASP 122 H ASP 122 25.162 -2.011 -8.568 1000 HA ASP 122 HA ASP 122 25.870 -2.640 -11.185 1001 HB2 ASP 122 HB2 ASP 122 24.529 -0.146 -10.121 1002 HB3 ASP 122 HB3 ASP 122 24.587 -0.604 -11.821 1003 H ASP 123 H ASP 123 27.292 -0.411 -8.961 1004 HA ASP 123 HA ASP 123 28.906 0.793 -11.100 1005 HB2 ASP 123 HB2 ASP 123 28.546 1.636 -8.216 1006 HB3 ASP 123 HB3 ASP 123 29.547 2.472 -9.400 1007 H PHE 124 H PHE 124 29.254 -1.933 -9.962 1008 HA PHE 124 HA PHE 124 31.781 -1.723 -8.528 1009 HB2 PHE 124 HB2 PHE 124 29.896 -3.402 -7.990 1010 HB3 PHE 124 HB3 PHE 124 30.471 -4.290 -9.397 1011 HD1 PHE 124 HD2 PHE 124 31.773 -2.746 -6.262 1012 HD2 PHE 124 HD1 PHE 124 32.063 -5.916 -9.088 1013 HE1 PHE 124 HE2 PHE 124 33.493 -3.824 -4.872 1014 HE2 PHE 124 HE1 PHE 124 33.783 -7.000 -7.701 1015 HZ PHE 124 HZ PHE 124 34.501 -5.953 -5.591 1016 H ASN 125 H ASN 125 33.638 -1.620 -9.584 1017 HA ASN 125 HA ASN 125 33.839 -2.936 -12.213 1018 HB2 ASN 125 HB2 ASN 125 33.842 -0.383 -12.217 1019 HB3 ASN 125 HB3 ASN 125 35.406 -0.484 -11.412 1020 HD21 ASN 125 HD21 ASN 125 35.342 0.804 -13.729 1021 HD22 ASN 125 HD22 ASN 125 36.063 -0.130 -14.991 1022 H ASP 126 H ASP 126 34.414 -4.288 -9.856 1023 HA ASP 126 HA ASP 126 36.016 -5.535 -8.826 1024 HB2 ASP 126 HB2 ASP 126 37.738 -4.988 -11.243 1025 HB3 ASP 126 HB3 ASP 126 37.754 -6.406 -10.198 1026 H GLU 127 H GLU 127 35.965 -2.878 -8.029 1027 HA GLU 127 HA GLU 127 38.702 -2.565 -7.109 1028 HB2 GLU 127 HB2 GLU 127 38.599 -1.222 -9.183 1029 HB3 GLU 127 HB3 GLU 127 37.254 -0.312 -8.511 1030 HG2 GLU 127 HG2 GLU 127 38.959 0.131 -6.560 1031 HG3 GLU 127 HG3 GLU 127 40.141 -0.224 -7.819 1032 HA PRO 128 HA PRO 128 35.404 -1.724 -3.944 1033 HB2 PRO 128 HB2 PRO 128 36.490 -3.329 -2.043 1034 HB3 PRO 128 HB3 PRO 128 35.372 -3.922 -3.278 1035 HG2 PRO 128 HG2 PRO 128 38.361 -4.077 -3.196 1036 HG3 PRO 128 HG3 PRO 128 37.189 -5.321 -3.669 1037 HD2 PRO 128 HD2 PRO 128 38.558 -3.844 -5.480 1038 HD3 PRO 128 HD3 PRO 128 36.910 -4.433 -5.778 1039 H VAL 129 H VAL 129 35.569 -0.331 -2.218 1040 HA VAL 129 HA VAL 129 37.817 1.337 -2.046 1041 HB VAL 129 HB VAL 129 36.753 2.345 -0.097 1042 HG11 VAL 129 HG11 VAL 129 35.110 1.681 -2.496 1043 HG12 VAL 129 HG12 VAL 129 34.379 2.593 -1.174 1044 HG13 VAL 129 HG13 VAL 129 35.806 3.223 -2.000 1045 HG21 VAL 129 HG21 VAL 129 35.799 0.861 1.303 1046 HG22 VAL 129 HG22 VAL 129 34.361 1.144 0.322 1047 HG23 VAL 129 HG23 VAL 129 35.384 -0.257 0.003 1048 H LYS 130 H LYS 130 39.607 1.320 -0.818 1049 HA LYS 130 HA LYS 130 40.103 -1.034 0.822 1050 HB2 LYS 130 HB2 LYS 130 41.702 0.076 -0.947 1051 HB3 LYS 130 HB3 LYS 130 42.123 1.132 0.395 1052 HG2 LYS 130 HG2 LYS 130 43.672 -0.432 0.811 1053 HG3 LYS 130 HG3 LYS 130 42.333 -1.279 1.589 1054 HD2 LYS 130 HD2 LYS 130 43.029 -1.640 -1.317 1055 HD3 LYS 130 HD3 LYS 130 43.721 -2.637 -0.035 1056 HE2 LYS 130 HE2 LYS 130 40.791 -2.341 -0.690 1057 HE3 LYS 130 HE3 LYS 130 41.802 -3.741 -1.044 1058 HZ1 LYS 130 HZ1 LYS 130 42.136 -3.358 1.627 1059 HZ2 LYS 130 HZ2 LYS 130 41.119 -4.506 0.915 1060 HZ3 LYS 130 HZ3 LYS 130 40.497 -3.010 1.398 1061 H LEU 131 H LEU 131 39.499 -0.943 2.883 1062 HA LEU 131 HA LEU 131 39.134 1.508 4.296 1063 HB2 LEU 131 HB2 LEU 131 39.354 -1.160 5.630 1064 HB3 LEU 131 HB3 LEU 131 38.347 0.220 6.065 1065 HG LEU 131 HG LEU 131 37.906 -1.700 3.781 1066 HD11 LEU 131 HD11 LEU 131 36.824 -1.401 6.511 1067 HD12 LEU 131 HD12 LEU 131 37.011 -2.842 5.512 1068 HD13 LEU 131 HD13 LEU 131 35.657 -1.747 5.234 1069 HD21 LEU 131 HD21 LEU 131 36.996 0.118 2.802 1070 HD22 LEU 131 HD22 LEU 131 36.841 0.996 4.324 1071 HD23 LEU 131 HD23 LEU 131 35.654 -0.235 3.892 1072 H SER 132 H SER 132 41.661 -0.924 4.153 1073 HA SER 132 HA SER 132 43.139 0.140 6.372 1074 HB2 SER 132 HB2 SER 132 43.969 -1.793 4.194 1075 HB3 SER 132 HB3 SER 132 44.910 -1.430 5.641 1076 HG SER 132 HG SER 132 43.714 -3.281 6.014 1077 H ALA 133 H ALA 133 42.873 2.375 5.284 1078 HA ALA 133 HA ALA 133 45.280 2.883 3.660 1079 HB1 ALA 133 HB1 ALA 133 42.784 3.225 2.720 1080 HB2 ALA 133 HB2 ALA 133 43.062 4.812 3.440 1081 HB3 ALA 133 HB3 ALA 133 44.163 4.198 2.207 Start of MODEL 17 1 H MET 1 H MET 1 -0.399 -0.609 -2.746 2 HA MET 1 HA MET 1 1.610 0.568 -1.260 3 HB2 MET 1 HB2 MET 1 0.775 -0.763 0.643 4 HB3 MET 1 HB3 MET 1 -0.530 -0.036 -0.284 5 HG2 MET 1 HG2 MET 1 -0.433 -2.389 -1.515 6 HG3 MET 1 HG3 MET 1 0.212 -2.878 0.050 7 HE1 MET 1 HE1 MET 1 -3.561 -0.974 -1.178 8 HE2 MET 1 HE2 MET 1 -2.376 -1.868 -2.130 9 HE3 MET 1 HE3 MET 1 -3.745 -2.714 -1.406 10 H THR 2 H THR 2 1.349 -2.771 -2.385 11 HA THR 2 HA THR 2 3.787 -3.577 -1.072 12 HB THR 2 HB THR 2 3.479 -5.720 -2.246 13 HG1 THR 2 HG1 THR 2 1.531 -5.931 -3.529 14 HG21 THR 2 HG21 THR 2 1.486 -6.414 -1.116 15 HG22 THR 2 HG22 THR 2 0.857 -4.767 -1.097 16 HG23 THR 2 HG23 THR 2 2.262 -5.186 -0.118 17 H LEU 3 H LEU 3 5.628 -4.472 -2.254 18 HA LEU 3 HA LEU 3 6.594 -2.659 -4.209 19 HB2 LEU 3 HB2 LEU 3 7.799 -5.352 -3.699 20 HB3 LEU 3 HB3 LEU 3 8.602 -3.843 -4.127 21 HG LEU 3 HG LEU 3 7.405 -4.555 -1.451 22 HD11 LEU 3 HD11 LEU 3 9.419 -5.625 -1.423 23 HD12 LEU 3 HD12 LEU 3 9.931 -4.020 -0.903 24 HD13 LEU 3 HD13 LEU 3 10.153 -4.516 -2.580 25 HD21 LEU 3 HD21 LEU 3 7.078 -2.181 -2.005 26 HD22 LEU 3 HD22 LEU 3 8.809 -2.024 -2.302 27 HD23 LEU 3 HD23 LEU 3 8.222 -2.408 -0.683 28 HA PRO 4 HA PRO 4 5.301 -4.466 -7.995 29 HB2 PRO 4 HB2 PRO 4 7.411 -3.881 -9.600 30 HB3 PRO 4 HB3 PRO 4 6.260 -2.661 -9.044 31 HG2 PRO 4 HG2 PRO 4 8.979 -3.322 -7.982 32 HG3 PRO 4 HG3 PRO 4 8.243 -1.733 -8.261 33 HD2 PRO 4 HD2 PRO 4 8.374 -2.866 -5.806 34 HD3 PRO 4 HD3 PRO 4 7.038 -1.806 -6.298 35 H SER 5 H SER 5 8.234 -5.489 -6.478 36 HA SER 5 HA SER 5 8.850 -7.593 -8.320 37 HB2 SER 5 HB2 SER 5 10.791 -7.459 -7.210 38 HB3 SER 5 HB3 SER 5 10.054 -6.421 -5.990 39 HG SER 5 HG SER 5 10.457 -8.094 -4.761 40 H GLY 6 H GLY 6 6.645 -7.213 -5.733 41 HA2 GLY 6 HA2 GLY 6 4.859 -8.845 -5.546 42 HA3 GLY 6 HA3 GLY 6 6.051 -10.100 -5.851 43 H HIS 7 H HIS 7 7.541 -7.957 -3.876 44 HA HIS 7 HA HIS 7 7.006 -9.620 -1.535 45 HB2 HIS 7 HB2 HIS 7 9.292 -8.145 -2.552 46 HB3 HIS 7 HB3 HIS 7 8.979 -7.765 -0.861 47 HD1 HIS 7 HD1 HIS 7 8.313 -11.188 -2.241 48 HD2 HIS 7 HD2 HIS 7 11.160 -9.226 0.063 49 HE1 HIS 7 HE1 HIS 7 9.770 -13.001 -1.285 50 HA PRO 8 HA PRO 8 4.615 -6.621 0.600 51 HB2 PRO 8 HB2 PRO 8 5.355 -7.095 3.168 52 HB3 PRO 8 HB3 PRO 8 4.328 -8.199 2.245 53 HG2 PRO 8 HG2 PRO 8 7.268 -8.355 2.789 54 HG3 PRO 8 HG3 PRO 8 6.051 -9.645 2.834 55 HD2 PRO 8 HD2 PRO 8 7.722 -9.290 0.733 56 HD3 PRO 8 HD3 PRO 8 6.071 -9.914 0.544 57 H LYS 9 H LYS 9 4.913 -4.493 0.678 58 HA LYS 9 HA LYS 9 7.481 -3.304 0.942 59 HB2 LYS 9 HB2 LYS 9 5.841 -2.197 -0.409 60 HB3 LYS 9 HB3 LYS 9 4.694 -2.143 0.923 61 HG2 LYS 9 HG2 LYS 9 5.823 -0.432 1.998 62 HG3 LYS 9 HG3 LYS 9 7.334 -0.758 1.145 63 HD2 LYS 9 HD2 LYS 9 6.749 0.975 -0.153 64 HD3 LYS 9 HD3 LYS 9 5.633 -0.163 -0.911 65 HE2 LYS 9 HE2 LYS 9 3.903 0.536 0.735 66 HE3 LYS 9 HE3 LYS 9 5.024 1.760 1.330 67 HZ1 LYS 9 HZ1 LYS 9 3.446 2.666 -0.272 68 HZ2 LYS 9 HZ2 LYS 9 3.997 1.586 -1.451 69 HZ3 LYS 9 HZ3 LYS 9 5.033 2.780 -0.848 70 H SER 10 H SER 10 4.611 -3.303 3.053 71 HA SER 10 HA SER 10 5.652 -1.815 5.149 72 HB2 SER 10 HB2 SER 10 3.286 -2.430 5.016 73 HB3 SER 10 HB3 SER 10 3.696 -4.123 5.289 74 HG SER 10 HG SER 10 3.082 -2.468 7.123 75 H ARG 11 H ARG 11 5.824 -5.313 4.593 76 HA ARG 11 HA ARG 11 7.136 -5.986 6.982 77 HB2 ARG 11 HB2 ARG 11 6.069 -7.434 5.002 78 HB3 ARG 11 HB3 ARG 11 7.758 -7.535 4.524 79 HG2 ARG 11 HG2 ARG 11 7.511 -9.406 5.837 80 HG3 ARG 11 HG3 ARG 11 8.151 -8.233 6.990 81 HD2 ARG 11 HD2 ARG 11 6.397 -9.133 8.179 82 HD3 ARG 11 HD3 ARG 11 5.633 -7.726 7.440 83 HE ARG 11 HE ARG 11 5.210 -9.765 5.666 84 HH11 ARG 11 HH11 ARG 11 4.512 -9.221 9.033 85 HH12 ARG 11 HH12 ARG 11 3.083 -10.200 9.030 86 HH21 ARG 11 HH21 ARG 11 3.330 -11.057 5.649 87 HH22 ARG 11 HH22 ARG 11 2.412 -11.245 7.105 88 H LEU 12 H LEU 12 8.382 -5.066 3.802 89 HA LEU 12 HA LEU 12 11.099 -5.538 4.299 90 HB2 LEU 12 HB2 LEU 12 9.505 -4.067 2.333 91 HB3 LEU 12 HB3 LEU 12 11.119 -3.406 2.589 92 HG LEU 12 HG LEU 12 11.056 -4.950 0.695 93 HD11 LEU 12 HD11 LEU 12 13.184 -5.049 1.415 94 HD12 LEU 12 HD12 LEU 12 12.737 -6.685 1.896 95 HD13 LEU 12 HD13 LEU 12 12.719 -5.381 3.084 96 HD21 LEU 12 HD21 LEU 12 9.541 -6.554 2.550 97 HD22 LEU 12 HD22 LEU 12 10.906 -7.462 1.900 98 HD23 LEU 12 HD23 LEU 12 9.732 -6.731 0.805 99 H ILE 13 H ILE 13 9.098 -2.672 4.845 100 HA ILE 13 HA ILE 13 11.191 -0.967 5.676 101 HB ILE 13 HB ILE 13 8.256 -0.864 6.378 102 HG12 ILE 13 HG12 ILE 13 8.754 -0.753 3.952 103 HG13 ILE 13 HG13 ILE 13 8.077 0.751 4.568 104 HG21 ILE 13 HG21 ILE 13 8.889 1.638 6.646 105 HG22 ILE 13 HG22 ILE 13 9.226 0.513 7.961 106 HG23 ILE 13 HG23 ILE 13 10.523 1.018 6.878 107 HD11 ILE 13 HD11 ILE 13 9.926 1.094 2.985 108 HD12 ILE 13 HD12 ILE 13 10.257 1.771 4.580 109 HD13 ILE 13 HD13 ILE 13 11.006 0.250 4.096 110 H LYS 14 H LYS 14 8.879 -2.941 7.519 111 HA LYS 14 HA LYS 14 9.865 -2.246 10.071 112 HB2 LYS 14 HB2 LYS 14 8.235 -4.555 9.041 113 HB3 LYS 14 HB3 LYS 14 8.733 -4.471 10.726 114 HG2 LYS 14 HG2 LYS 14 7.345 -2.136 9.501 115 HG3 LYS 14 HG3 LYS 14 6.409 -3.555 9.977 116 HD2 LYS 14 HD2 LYS 14 7.339 -3.382 12.249 117 HD3 LYS 14 HD3 LYS 14 8.228 -1.937 11.762 118 HE2 LYS 14 HE2 LYS 14 6.241 -1.241 12.899 119 HE3 LYS 14 HE3 LYS 14 6.048 -0.875 11.185 120 HZ1 LYS 14 HZ1 LYS 14 4.360 -2.375 12.796 121 HZ2 LYS 14 HZ2 LYS 14 5.074 -3.467 11.720 122 HZ3 LYS 14 HZ3 LYS 14 4.237 -2.122 11.127 123 H LYS 15 H LYS 15 10.711 -4.794 7.795 124 HA LYS 15 HA LYS 15 12.389 -6.265 9.537 125 HB2 LYS 15 HB2 LYS 15 11.896 -6.166 6.611 126 HB3 LYS 15 HB3 LYS 15 13.423 -6.866 7.131 127 HG2 LYS 15 HG2 LYS 15 11.802 -8.185 8.777 128 HG3 LYS 15 HG3 LYS 15 10.659 -7.866 7.471 129 HD2 LYS 15 HD2 LYS 15 12.678 -8.721 5.987 130 HD3 LYS 15 HD3 LYS 15 13.116 -9.542 7.487 131 HE2 LYS 15 HE2 LYS 15 10.551 -9.794 5.929 132 HE3 LYS 15 HE3 LYS 15 11.771 -11.037 6.199 133 HZ1 LYS 15 HZ1 LYS 15 9.944 -9.849 8.211 134 HZ2 LYS 15 HZ2 LYS 15 11.242 -10.857 8.610 135 HZ3 LYS 15 HZ3 LYS 15 9.969 -11.450 7.666 136 H PHE 16 H PHE 16 13.144 -3.874 7.005 137 HA PHE 16 HA PHE 16 15.910 -3.822 7.391 138 HB2 PHE 16 HB2 PHE 16 13.948 -1.838 6.279 139 HB3 PHE 16 HB3 PHE 16 15.649 -1.417 6.442 140 HD1 PHE 16 HD2 PHE 16 17.032 -3.845 5.708 141 HD2 PHE 16 HD1 PHE 16 13.516 -2.122 4.037 142 HE1 PHE 16 HE2 PHE 16 17.510 -4.955 3.565 143 HE2 PHE 16 HE1 PHE 16 13.989 -3.229 1.892 144 HZ PHE 16 HZ PHE 16 15.989 -4.647 1.653 145 H THR 17 H THR 17 13.325 -2.320 9.165 146 HA THR 17 HA THR 17 14.717 -0.288 10.482 147 HB THR 17 HB THR 17 12.408 -1.951 11.508 148 HG1 THR 17 HG1 THR 17 12.573 0.485 10.047 149 HG21 THR 17 HG21 THR 17 13.373 -0.875 13.392 150 HG22 THR 17 HG22 THR 17 11.989 0.110 12.917 151 HG23 THR 17 HG23 THR 17 13.624 0.622 12.496 152 H ALA 18 H ALA 18 14.864 -3.703 10.859 153 HA ALA 18 HA ALA 18 15.918 -3.668 13.539 154 HB1 ALA 18 HB1 ALA 18 15.739 -5.920 13.487 155 HB2 ALA 18 HB2 ALA 18 14.684 -5.577 12.115 156 HB3 ALA 18 HB3 ALA 18 16.363 -6.041 11.841 157 H LEU 19 H LEU 19 17.179 -2.872 10.564 158 HA LEU 19 HA LEU 19 19.900 -3.719 11.267 159 HB2 LEU 19 HB2 LEU 19 18.837 -2.588 8.683 160 HB3 LEU 19 HB3 LEU 19 20.482 -3.155 8.962 161 HG LEU 19 HG LEU 19 17.961 -4.786 8.773 162 HD11 LEU 19 HD11 LEU 19 18.875 -4.366 6.644 163 HD12 LEU 19 HD12 LEU 19 19.410 -5.988 7.081 164 HD13 LEU 19 HD13 LEU 19 20.524 -4.627 7.212 165 HD21 LEU 19 HD21 LEU 19 18.952 -5.905 10.516 166 HD22 LEU 19 HD22 LEU 19 20.584 -5.441 10.032 167 HD23 LEU 19 HD23 LEU 19 19.720 -6.693 9.137 168 H GLY 20 H GLY 20 17.992 -1.206 11.919 169 HA2 GLY 20 HA2 GLY 20 19.868 0.520 12.877 170 HA3 GLY 20 HA3 GLY 20 19.701 0.993 11.192 171 HA PRO 21 HA PRO 21 16.619 3.534 13.392 172 HB2 PRO 21 HB2 PRO 21 16.763 5.597 11.632 173 HB3 PRO 21 HB3 PRO 21 17.905 5.390 12.965 174 HG2 PRO 21 HG2 PRO 21 18.216 4.672 10.076 175 HG3 PRO 21 HG3 PRO 21 19.382 5.440 11.170 176 HD2 PRO 21 HD2 PRO 21 19.481 2.806 10.550 177 HD3 PRO 21 HD3 PRO 21 19.991 3.435 12.130 178 H TYR 22 H TYR 22 14.591 4.546 12.576 179 HA TYR 22 HA TYR 22 13.118 2.739 11.013 180 HB2 TYR 22 HB2 TYR 22 12.493 5.603 11.760 181 HB3 TYR 22 HB3 TYR 22 11.335 4.473 11.068 182 HD1 TYR 22 HD2 TYR 22 10.588 2.509 12.382 183 HD2 TYR 22 HD1 TYR 22 13.082 5.513 14.074 184 HE1 TYR 22 HE2 TYR 22 10.022 1.702 14.636 185 HE2 TYR 22 HE1 TYR 22 12.523 4.713 16.332 186 HH TYR 22 HH TYR 22 10.064 2.283 16.865 187 H ILE 23 H ILE 23 12.943 2.497 8.890 188 HA ILE 23 HA ILE 23 14.361 4.188 7.082 189 HB ILE 23 HB ILE 23 12.443 1.911 6.595 190 HG12 ILE 23 HG12 ILE 23 14.690 0.900 5.766 191 HG13 ILE 23 HG13 ILE 23 15.433 2.195 6.699 192 HG21 ILE 23 HG21 ILE 23 12.322 3.346 4.682 193 HG22 ILE 23 HG22 ILE 23 14.077 3.502 4.628 194 HG23 ILE 23 HG23 ILE 23 13.318 1.953 4.263 195 HD11 ILE 23 HD11 ILE 23 13.449 0.306 7.911 196 HD12 ILE 23 HD12 ILE 23 15.173 -0.058 7.830 197 HD13 ILE 23 HD13 ILE 23 14.611 1.356 8.721 198 H ARG 24 H ARG 24 13.614 5.676 5.630 199 HA ARG 24 HA ARG 24 11.180 7.014 6.264 200 HB2 ARG 24 HB2 ARG 24 13.470 7.853 5.176 201 HB3 ARG 24 HB3 ARG 24 12.569 7.567 3.693 202 HG2 ARG 24 HG2 ARG 24 11.275 9.146 5.853 203 HG3 ARG 24 HG3 ARG 24 12.541 9.906 4.887 204 HD2 ARG 24 HD2 ARG 24 11.319 9.418 2.851 205 HD3 ARG 24 HD3 ARG 24 10.086 8.555 3.770 206 HE ARG 24 HE ARG 24 9.137 10.565 4.310 207 HH11 ARG 24 HH11 ARG 24 12.369 11.112 3.137 208 HH12 ARG 24 HH12 ARG 24 12.204 12.837 3.101 209 HH21 ARG 24 HH21 ARG 24 8.908 12.834 4.266 210 HH22 ARG 24 HH22 ARG 24 10.235 13.815 3.744 211 H GLU 25 H GLU 25 9.438 5.674 5.905 212 HA GLU 25 HA GLU 25 9.078 4.540 3.235 213 HB2 GLU 25 HB2 GLU 25 7.205 3.313 4.204 214 HB3 GLU 25 HB3 GLU 25 8.659 3.083 5.165 215 HG2 GLU 25 HG2 GLU 25 7.087 3.419 6.793 216 HG3 GLU 25 HG3 GLU 25 7.714 5.052 6.574 217 H GLY 26 H GLY 26 6.607 4.575 2.570 218 HA2 GLY 26 HA2 GLY 26 4.748 5.808 1.966 219 HA3 GLY 26 HA3 GLY 26 5.190 6.992 3.187 220 H GLN 27 H GLN 27 5.320 6.139 -0.146 221 HA GLN 27 HA GLN 27 6.186 8.823 -0.808 222 HB2 GLN 27 HB2 GLN 27 7.862 6.412 -1.245 223 HB3 GLN 27 HB3 GLN 27 7.783 7.573 -2.564 224 HG2 GLN 27 HG2 GLN 27 8.659 8.122 0.262 225 HG3 GLN 27 HG3 GLN 27 9.689 8.033 -1.166 226 HE21 GLN 27 HE21 GLN 27 8.737 9.525 -3.001 227 HE22 GLN 27 HE22 GLN 27 8.427 11.147 -2.493 228 H CYS 28 H CYS 28 5.411 9.530 -2.756 229 HA CYS 28 HA CYS 28 3.159 8.365 -3.846 230 HB2 CYS 28 HB2 CYS 28 3.658 10.692 -4.238 231 HB3 CYS 28 HB3 CYS 28 5.129 10.277 -5.110 232 HG CYS 28 HG CYS 28 3.831 10.752 -7.301 233 H GLU 29 H GLU 29 6.522 7.823 -4.622 234 HA GLU 29 HA GLU 29 5.713 5.609 -6.361 235 HB2 GLU 29 HB2 GLU 29 7.609 7.833 -7.083 236 HB3 GLU 29 HB3 GLU 29 7.692 6.260 -7.864 237 HG2 GLU 29 HG2 GLU 29 5.349 8.146 -7.870 238 HG3 GLU 29 HG3 GLU 29 6.422 7.787 -9.221 239 H ASP 30 H ASP 30 6.417 5.153 -3.834 240 HA ASP 30 HA ASP 30 9.159 4.879 -3.285 241 HB2 ASP 30 HB2 ASP 30 7.035 4.659 -1.742 242 HB3 ASP 30 HB3 ASP 30 7.172 2.951 -2.151 243 H ASN 31 H ASN 31 10.321 3.930 -4.910 244 HA ASN 31 HA ASN 31 9.608 1.157 -5.603 245 HB2 ASN 31 HB2 ASN 31 11.181 1.617 -7.600 246 HB3 ASN 31 HB3 ASN 31 9.580 2.352 -7.621 247 HD21 ASN 31 HD21 ASN 31 9.574 4.368 -8.263 248 HD22 ASN 31 HD22 ASN 31 10.841 5.520 -8.034 249 H ARG 32 H ARG 32 12.070 3.270 -4.363 250 HA ARG 32 HA ARG 32 13.797 0.927 -3.910 251 HB2 ARG 32 HB2 ARG 32 14.598 3.747 -4.631 252 HB3 ARG 32 HB3 ARG 32 15.727 2.557 -3.997 253 HG2 ARG 32 HG2 ARG 32 15.790 1.378 -5.931 254 HG3 ARG 32 HG3 ARG 32 14.119 1.761 -6.348 255 HD2 ARG 32 HD2 ARG 32 14.687 3.852 -7.211 256 HD3 ARG 32 HD3 ARG 32 16.238 3.879 -6.371 257 HE ARG 32 HE ARG 32 16.111 1.748 -8.249 258 HH11 ARG 32 HH11 ARG 32 16.563 5.189 -7.976 259 HH12 ARG 32 HH12 ARG 32 17.502 5.312 -9.427 260 HH21 ARG 32 HH21 ARG 32 17.346 1.897 -10.161 261 HH22 ARG 32 HH22 ARG 32 17.946 3.439 -10.669 262 H PHE 33 H PHE 33 15.225 1.131 -2.021 263 HA PHE 33 HA PHE 33 13.931 2.698 0.111 264 HB2 PHE 33 HB2 PHE 33 15.480 0.109 0.347 265 HB3 PHE 33 HB3 PHE 33 14.729 0.982 1.679 266 HD1 PHE 33 HD2 PHE 33 14.045 -0.910 -1.415 267 HD2 PHE 33 HD1 PHE 33 12.438 0.731 2.168 268 HE1 PHE 33 HE2 PHE 33 11.955 -2.154 -1.787 269 HE2 PHE 33 HE1 PHE 33 10.346 -0.511 1.803 270 HZ PHE 33 HZ PHE 33 10.102 -1.956 -0.177 271 H PHE 34 H PHE 34 15.088 4.446 0.575 272 HA PHE 34 HA PHE 34 18.016 4.306 0.418 273 HB2 PHE 34 HB2 PHE 34 18.028 6.680 0.210 274 HB3 PHE 34 HB3 PHE 34 16.756 6.092 -0.856 275 HD1 PHE 34 HD2 PHE 34 14.425 6.504 -0.359 276 HD2 PHE 34 HD1 PHE 34 17.506 7.925 2.211 277 HE1 PHE 34 HE2 PHE 34 12.810 7.993 0.749 278 HE2 PHE 34 HE1 PHE 34 15.895 9.416 3.324 279 HZ PHE 34 HZ PHE 34 13.544 9.452 2.592 280 H PHE 35 H PHE 35 19.261 4.462 2.183 281 HA PHE 35 HA PHE 35 17.937 5.098 4.738 282 HB2 PHE 35 HB2 PHE 35 20.316 3.268 4.400 283 HB3 PHE 35 HB3 PHE 35 19.339 3.502 5.846 284 HD1 PHE 35 HD1 PHE 35 16.642 3.461 4.396 285 HD2 PHE 35 HD2 PHE 35 20.050 0.917 4.232 286 HE1 PHE 35 HE1 PHE 35 15.202 1.581 3.728 287 HE2 PHE 35 HE2 PHE 35 18.616 -0.967 3.562 288 HZ PHE 35 HZ PHE 35 16.189 -0.637 3.309 289 H ASP 36 H ASP 36 18.699 6.808 5.785 290 HA ASP 36 HA ASP 36 21.321 7.879 4.989 291 HB2 ASP 36 HB2 ASP 36 19.269 9.454 6.513 292 HB3 ASP 36 HB3 ASP 36 20.547 10.033 5.447 293 H CYS 37 H CYS 37 22.889 7.354 6.356 294 HA CYS 37 HA CYS 37 22.260 7.139 9.220 295 HB2 CYS 37 HB2 CYS 37 23.198 5.110 8.161 296 HB3 CYS 37 HB3 CYS 37 24.629 6.026 7.703 297 HG CYS 37 HG CYS 37 25.797 6.107 10.067 298 H LEU 38 H LEU 38 23.530 8.180 10.754 299 HA LEU 38 HA LEU 38 24.920 10.540 9.757 300 HB2 LEU 38 HB2 LEU 38 24.029 9.718 12.513 301 HB3 LEU 38 HB3 LEU 38 24.928 11.196 12.176 302 HG LEU 38 HG LEU 38 22.144 10.512 11.239 303 HD11 LEU 38 HD11 LEU 38 21.382 12.153 12.710 304 HD12 LEU 38 HD12 LEU 38 22.992 12.836 12.932 305 HD13 LEU 38 HD13 LEU 38 22.593 11.272 13.643 306 HD21 LEU 38 HD21 LEU 38 23.986 12.774 10.525 307 HD22 LEU 38 HD22 LEU 38 22.232 12.919 10.404 308 HD23 LEU 38 HD23 LEU 38 23.086 11.704 9.451 309 H ALA 39 H ALA 39 27.037 10.474 9.452 310 HA ALA 39 HA ALA 39 28.647 8.580 11.018 311 HB1 ALA 39 HB1 ALA 39 30.359 8.893 9.263 312 HB2 ALA 39 HB2 ALA 39 28.833 8.272 8.633 313 HB3 ALA 39 HB3 ALA 39 29.252 9.971 8.413 314 H VAL 40 H VAL 40 29.265 11.749 9.500 315 HA VAL 40 HA VAL 40 30.209 12.781 12.065 316 HB VAL 40 HB VAL 40 31.910 12.894 9.571 317 HG11 VAL 40 HG11 VAL 40 33.604 13.753 11.290 318 HG12 VAL 40 HG12 VAL 40 32.334 14.860 10.766 319 HG13 VAL 40 HG13 VAL 40 32.207 14.046 12.325 320 HG21 VAL 40 HG21 VAL 40 32.231 11.288 12.102 321 HG22 VAL 40 HG22 VAL 40 31.964 10.663 10.475 322 HG23 VAL 40 HG23 VAL 40 33.479 11.475 10.871 323 H CYS 41 H CYS 41 30.133 15.020 12.249 324 HA CYS 41 HA CYS 41 28.220 16.332 10.615 325 HB2 CYS 41 HB2 CYS 41 30.116 17.457 12.687 326 HB3 CYS 41 HB3 CYS 41 28.765 18.332 11.975 327 HG CYS 41 HG CYS 41 27.593 15.529 13.154 328 H VAL 42 H VAL 42 28.538 18.290 9.384 329 HA VAL 42 HA VAL 42 30.703 18.074 7.553 330 HB VAL 42 HB VAL 42 28.666 20.277 7.910 331 HG11 VAL 42 HG11 VAL 42 30.628 21.140 6.781 332 HG12 VAL 42 HG12 VAL 42 30.612 19.779 5.658 333 HG13 VAL 42 HG13 VAL 42 29.303 20.962 5.631 334 HG21 VAL 42 HG21 VAL 42 28.754 18.141 5.792 335 HG22 VAL 42 HG22 VAL 42 27.859 17.957 7.300 336 HG23 VAL 42 HG23 VAL 42 27.432 19.245 6.173 337 H ASN 43 H ASN 43 30.213 19.828 10.486 338 HA ASN 43 HA ASN 43 31.570 21.182 11.711 339 HB2 ASN 43 HB2 ASN 43 33.279 19.435 11.009 340 HB3 ASN 43 HB3 ASN 43 33.768 20.553 9.739 341 HD21 ASN 43 HD21 ASN 43 35.757 21.078 10.429 342 HD22 ASN 43 HD22 ASN 43 36.097 21.859 11.932 343 H VAL 44 H VAL 44 30.596 23.128 11.324 344 HA VAL 44 HA VAL 44 31.973 24.882 9.428 345 HB VAL 44 HB VAL 44 29.015 25.174 9.607 346 HG11 VAL 44 HG11 VAL 44 29.465 26.720 8.081 347 HG12 VAL 44 HG12 VAL 44 31.169 26.261 8.089 348 HG13 VAL 44 HG13 VAL 44 30.044 25.461 6.991 349 HG21 VAL 44 HG21 VAL 44 30.442 23.026 8.072 350 HG22 VAL 44 HG22 VAL 44 29.025 22.884 9.112 351 HG23 VAL 44 HG23 VAL 44 28.890 23.671 7.539 352 H LYS 45 H LYS 45 31.290 27.214 9.780 353 HA LYS 45 HA LYS 45 31.900 28.066 12.312 354 HB2 LYS 45 HB2 LYS 45 30.641 29.293 9.944 355 HB3 LYS 45 HB3 LYS 45 30.320 30.114 11.465 356 HG2 LYS 45 HG2 LYS 45 32.519 30.696 11.775 357 HG3 LYS 45 HG3 LYS 45 33.122 29.367 10.783 358 HD2 LYS 45 HD2 LYS 45 31.560 31.675 9.645 359 HD3 LYS 45 HD3 LYS 45 33.320 31.691 9.790 360 HE2 LYS 45 HE2 LYS 45 33.310 29.522 8.486 361 HE3 LYS 45 HE3 LYS 45 31.606 29.830 8.159 362 HZ1 LYS 45 HZ1 LYS 45 33.883 30.918 6.885 363 HZ2 LYS 45 HZ2 LYS 45 32.951 32.166 7.544 364 HZ3 LYS 45 HZ3 LYS 45 32.253 31.071 6.460 365 HA PRO 46 HA PRO 46 27.209 28.547 13.372 366 HB2 PRO 46 HB2 PRO 46 25.429 27.391 11.680 367 HB3 PRO 46 HB3 PRO 46 25.995 29.054 11.489 368 HG2 PRO 46 HG2 PRO 46 26.897 26.572 10.080 369 HG3 PRO 46 HG3 PRO 46 26.582 28.184 9.413 370 HD2 PRO 46 HD2 PRO 46 29.082 27.294 9.949 371 HD3 PRO 46 HD3 PRO 46 28.626 29.003 10.093 372 H ALA 47 H ALA 47 25.949 27.170 14.644 373 HA ALA 47 HA ALA 47 27.033 24.768 15.455 374 HB1 ALA 47 HB1 ALA 47 24.351 24.488 16.052 375 HB2 ALA 47 HB2 ALA 47 25.568 25.278 17.055 376 HB3 ALA 47 HB3 ALA 47 24.579 26.235 15.952 377 HA PRO 48 HA PRO 48 25.836 21.638 12.622 378 HB2 PRO 48 HB2 PRO 48 25.247 19.561 14.268 379 HB3 PRO 48 HB3 PRO 48 26.898 20.129 13.991 380 HG2 PRO 48 HG2 PRO 48 25.055 20.708 16.278 381 HG3 PRO 48 HG3 PRO 48 26.786 20.324 16.306 382 HD2 PRO 48 HD2 PRO 48 25.851 22.854 16.536 383 HD3 PRO 48 HD3 PRO 48 27.400 22.476 15.756 384 H GLU 49 H GLU 49 23.594 22.526 15.142 385 HA GLU 49 HA GLU 49 21.373 21.009 14.319 386 HB2 GLU 49 HB2 GLU 49 20.036 22.575 15.631 387 HB3 GLU 49 HB3 GLU 49 21.492 22.118 16.503 388 HG2 GLU 49 HG2 GLU 49 22.399 24.324 15.313 389 HG3 GLU 49 HG3 GLU 49 20.685 24.732 15.390 390 H LYS 50 H LYS 50 22.835 23.842 13.020 391 HA LYS 50 HA LYS 50 20.505 24.325 11.292 392 HB2 LYS 50 HB2 LYS 50 22.899 26.131 11.605 393 HB3 LYS 50 HB3 LYS 50 21.329 26.527 10.919 394 HG2 LYS 50 HG2 LYS 50 20.327 26.198 13.167 395 HG3 LYS 50 HG3 LYS 50 21.955 25.970 13.810 396 HD2 LYS 50 HD2 LYS 50 22.546 28.181 13.450 397 HD3 LYS 50 HD3 LYS 50 21.308 28.416 12.214 398 HE2 LYS 50 HE2 LYS 50 20.539 27.842 15.050 399 HE3 LYS 50 HE3 LYS 50 20.984 29.475 14.559 400 HZ1 LYS 50 HZ1 LYS 50 18.967 29.750 13.730 401 HZ2 LYS 50 HZ2 LYS 50 18.527 28.199 14.238 402 HZ3 LYS 50 HZ3 LYS 50 19.169 28.431 12.690 403 H ARG 51 H ARG 51 23.245 22.580 11.269 404 HA ARG 51 HA ARG 51 23.642 22.960 8.373 405 HB2 ARG 51 HB2 ARG 51 25.552 23.457 10.190 406 HB3 ARG 51 HB3 ARG 51 25.811 21.730 9.984 407 HG2 ARG 51 HG2 ARG 51 27.180 22.413 8.340 408 HG3 ARG 51 HG3 ARG 51 25.682 22.485 7.409 409 HD2 ARG 51 HD2 ARG 51 25.525 24.905 8.324 410 HD3 ARG 51 HD3 ARG 51 27.246 24.711 8.659 411 HE ARG 51 HE ARG 51 26.983 23.952 6.057 412 HH11 ARG 51 HH11 ARG 51 26.129 26.797 7.873 413 HH12 ARG 51 HH12 ARG 51 26.315 27.872 6.526 414 HH21 ARG 51 HH21 ARG 51 27.232 25.356 4.277 415 HH22 ARG 51 HH22 ARG 51 26.942 27.051 4.481 416 H GLU 52 H GLU 52 24.314 21.016 7.200 417 HA GLU 52 HA GLU 52 22.793 18.719 8.106 418 HB2 GLU 52 HB2 GLU 52 24.353 19.045 5.540 419 HB3 GLU 52 HB3 GLU 52 23.120 17.840 5.883 420 HG2 GLU 52 HG2 GLU 52 21.518 19.198 5.196 421 HG3 GLU 52 HG3 GLU 52 22.056 20.468 6.294 422 H PHE 53 H PHE 53 23.761 16.508 7.754 423 HA PHE 53 HA PHE 53 26.569 16.482 8.648 424 HB2 PHE 53 HB2 PHE 53 24.499 14.415 9.393 425 HB3 PHE 53 HB3 PHE 53 26.105 14.631 10.081 426 HD1 PHE 53 HD2 PHE 53 26.182 17.512 10.575 427 HD2 PHE 53 HD1 PHE 53 23.026 14.715 11.148 428 HE1 PHE 53 HE2 PHE 53 25.235 18.947 12.334 429 HE2 PHE 53 HE1 PHE 53 22.073 16.146 12.908 430 HZ PHE 53 HZ PHE 53 23.178 18.264 13.504 431 H TRP 54 H TRP 54 27.644 14.325 8.242 432 HA TRP 54 HA TRP 54 27.299 13.662 5.457 433 HB2 TRP 54 HB2 TRP 54 29.252 12.689 7.550 434 HB3 TRP 54 HB3 TRP 54 29.278 12.165 5.869 435 HD1 TRP 54 HD1 TRP 54 31.184 14.326 7.882 436 HE1 TRP 54 HE1 TRP 54 32.139 16.342 6.597 437 HE3 TRP 54 HE3 TRP 54 28.173 14.158 3.754 438 HZ2 TRP 54 HZ2 TRP 54 31.677 17.683 4.157 439 HZ3 TRP 54 HZ3 TRP 54 28.494 15.844 1.990 440 HH2 TRP 54 HH2 TRP 54 30.210 17.569 2.190 441 H GLY 55 H GLY 55 26.653 11.718 4.589 442 HA2 GLY 55 HA2 GLY 55 26.240 9.337 6.022 443 HA3 GLY 55 HA3 GLY 55 24.726 10.229 5.990 444 H TRP 56 H TRP 56 26.399 7.863 4.481 445 HA TRP 56 HA TRP 56 25.803 8.479 1.744 446 HB2 TRP 56 HB2 TRP 56 26.480 6.104 1.343 447 HB3 TRP 56 HB3 TRP 56 27.687 7.052 2.208 448 HD1 TRP 56 HD1 TRP 56 28.434 6.189 4.545 449 HE1 TRP 56 HE1 TRP 56 27.807 4.158 5.996 450 HE3 TRP 56 HE3 TRP 56 24.359 4.550 1.930 451 HZ2 TRP 56 HZ2 TRP 56 25.845 2.129 6.028 452 HZ3 TRP 56 HZ3 TRP 56 23.163 2.557 2.737 453 HH2 TRP 56 HH2 TRP 56 23.893 1.373 4.744 454 H TRP 57 H TRP 57 24.223 7.557 0.427 455 HA TRP 57 HA TRP 57 21.978 6.306 1.872 456 HB2 TRP 57 HB2 TRP 57 20.713 7.350 -0.240 457 HB3 TRP 57 HB3 TRP 57 20.977 8.261 1.244 458 HD1 TRP 57 HD1 TRP 57 22.774 10.238 1.172 459 HE1 TRP 57 HE1 TRP 57 23.837 11.528 -0.785 460 HE3 TRP 57 HE3 TRP 57 21.538 7.076 -2.650 461 HZ2 TRP 57 HZ2 TRP 57 24.115 11.243 -3.580 462 HZ3 TRP 57 HZ3 TRP 57 22.240 7.658 -4.936 463 HH2 TRP 57 HH2 TRP 57 23.501 9.699 -5.389 464 H MET 58 H MET 58 21.701 4.253 1.329 465 HA MET 58 HA MET 58 22.573 3.354 -1.327 466 HB2 MET 58 HB2 MET 58 23.568 2.215 0.630 467 HB3 MET 58 HB3 MET 58 21.960 1.720 1.142 468 HG2 MET 58 HG2 MET 58 22.669 0.986 -1.609 469 HG3 MET 58 HG3 MET 58 23.632 0.214 -0.351 470 HE1 MET 58 HE1 MET 58 22.631 -1.094 1.644 471 HE2 MET 58 HE2 MET 58 21.354 0.051 2.055 472 HE3 MET 58 HE3 MET 58 20.960 -1.644 1.768 473 H GLU 59 H GLU 59 21.006 3.268 -2.791 474 HA GLU 59 HA GLU 59 18.269 2.665 -1.922 475 HB2 GLU 59 HB2 GLU 59 17.666 3.470 -4.241 476 HB3 GLU 59 HB3 GLU 59 18.345 4.684 -3.166 477 HG2 GLU 59 HG2 GLU 59 20.164 4.985 -4.439 478 HG3 GLU 59 HG3 GLU 59 20.307 3.271 -4.825 479 H LEU 60 H LEU 60 17.530 0.675 -2.192 480 HA LEU 60 HA LEU 60 18.687 -0.977 -4.341 481 HB2 LEU 60 HB2 LEU 60 18.195 -2.931 -2.948 482 HB3 LEU 60 HB3 LEU 60 19.321 -1.820 -2.171 483 HG LEU 60 HG LEU 60 16.447 -1.554 -1.479 484 HD11 LEU 60 HD11 LEU 60 18.134 -3.932 -0.836 485 HD12 LEU 60 HD12 LEU 60 16.422 -3.846 -1.250 486 HD13 LEU 60 HD13 LEU 60 16.970 -3.332 0.345 487 HD21 LEU 60 HD21 LEU 60 17.284 -0.830 0.587 488 HD22 LEU 60 HD22 LEU 60 18.394 -0.154 -0.606 489 HD23 LEU 60 HD23 LEU 60 18.855 -1.586 0.315 490 H GLU 61 H GLU 61 17.246 -2.602 -5.264 491 HA GLU 61 HA GLU 61 14.397 -1.905 -5.043 492 HB2 GLU 61 HB2 GLU 61 15.427 -0.880 -7.077 493 HB3 GLU 61 HB3 GLU 61 15.824 -2.498 -7.639 494 HG2 GLU 61 HG2 GLU 61 13.380 -3.032 -7.544 495 HG3 GLU 61 HG3 GLU 61 13.090 -1.322 -7.228 496 H ALA 62 H ALA 62 13.399 -3.638 -4.271 497 HA ALA 62 HA ALA 62 14.343 -6.214 -4.110 498 HB1 ALA 62 HB1 ALA 62 11.429 -5.976 -4.506 499 HB2 ALA 62 HB2 ALA 62 12.342 -6.733 -3.200 500 HB3 ALA 62 HB3 ALA 62 12.126 -4.983 -3.225 501 H GLN 63 H GLN 63 14.912 -7.607 -5.635 502 HA GLN 63 HA GLN 63 14.022 -7.327 -8.350 503 HB2 GLN 63 HB2 GLN 63 16.276 -8.336 -7.201 504 HB3 GLN 63 HB3 GLN 63 15.407 -9.814 -7.593 505 HG2 GLN 63 HG2 GLN 63 17.017 -8.987 -9.333 506 HG3 GLN 63 HG3 GLN 63 15.376 -9.307 -9.891 507 HE21 GLN 63 HE21 GLN 63 14.239 -7.709 -10.814 508 HE22 GLN 63 HE22 GLN 63 14.790 -6.080 -10.984 509 H GLU 64 H GLU 64 13.557 -9.652 -9.437 510 HA GLU 64 HA GLU 64 10.928 -10.271 -8.913 511 HB2 GLU 64 HB2 GLU 64 12.450 -10.943 -10.901 512 HB3 GLU 64 HB3 GLU 64 12.821 -12.366 -9.938 513 HG2 GLU 64 HG2 GLU 64 10.661 -13.185 -10.076 514 HG3 GLU 64 HG3 GLU 64 9.983 -11.609 -10.481 515 H LYS 65 H LYS 65 13.769 -12.169 -7.894 516 HA LYS 65 HA LYS 65 12.262 -13.044 -5.539 517 HB2 LYS 65 HB2 LYS 65 12.784 -15.341 -5.842 518 HB3 LYS 65 HB3 LYS 65 12.126 -14.780 -7.374 519 HG2 LYS 65 HG2 LYS 65 15.069 -15.016 -6.793 520 HG3 LYS 65 HG3 LYS 65 14.107 -16.269 -7.581 521 HD2 LYS 65 HD2 LYS 65 13.443 -14.134 -9.090 522 HD3 LYS 65 HD3 LYS 65 15.085 -13.686 -8.621 523 HE2 LYS 65 HE2 LYS 65 14.435 -16.403 -9.721 524 HE3 LYS 65 HE3 LYS 65 14.783 -15.035 -10.776 525 HZ1 LYS 65 HZ1 LYS 65 16.734 -15.266 -8.725 526 HZ2 LYS 65 HZ2 LYS 65 16.943 -15.265 -10.403 527 HZ3 LYS 65 HZ3 LYS 65 16.612 -16.713 -9.593 528 H ARG 66 H ARG 66 14.727 -11.346 -6.447 529 HA ARG 66 HA ARG 66 16.422 -12.244 -4.229 530 HB2 ARG 66 HB2 ARG 66 18.442 -11.694 -5.610 531 HB3 ARG 66 HB3 ARG 66 17.552 -13.112 -6.149 532 HG2 ARG 66 HG2 ARG 66 16.394 -11.543 -7.796 533 HG3 ARG 66 HG3 ARG 66 17.673 -10.393 -7.401 534 HD2 ARG 66 HD2 ARG 66 19.320 -12.218 -7.981 535 HD3 ARG 66 HD3 ARG 66 17.954 -13.128 -8.624 536 HE ARG 66 HE ARG 66 17.797 -10.706 -9.866 537 HH11 ARG 66 HH11 ARG 66 20.259 -13.146 -9.545 538 HH12 ARG 66 HH12 ARG 66 20.986 -12.800 -11.079 539 HH21 ARG 66 HH21 ARG 66 18.745 -10.241 -11.888 540 HH22 ARG 66 HH22 ARG 66 20.125 -11.147 -12.410 541 H PHE 67 H PHE 67 18.278 -10.439 -4.021 542 HA PHE 67 HA PHE 67 16.995 -7.802 -4.238 543 HB2 PHE 67 HB2 PHE 67 17.835 -9.234 -1.820 544 HB3 PHE 67 HB3 PHE 67 18.475 -7.597 -1.929 545 HD1 PHE 67 HD1 PHE 67 15.236 -9.352 -2.542 546 HD2 PHE 67 HD2 PHE 67 17.235 -5.962 -0.921 547 HE1 PHE 67 HE1 PHE 67 13.081 -8.463 -1.753 548 HE2 PHE 67 HE2 PHE 67 15.084 -5.068 -0.129 549 HZ PHE 67 HZ PHE 67 13.004 -6.319 -0.543 550 H THR 68 H THR 68 18.380 -6.044 -4.507 551 HA THR 68 HA THR 68 21.190 -6.733 -5.075 552 HB THR 68 HB THR 68 20.039 -6.318 -7.173 553 HG1 THR 68 HG1 THR 68 21.932 -5.447 -7.572 554 HG21 THR 68 HG21 THR 68 19.067 -4.079 -7.638 555 HG22 THR 68 HG22 THR 68 19.266 -3.676 -5.932 556 HG23 THR 68 HG23 THR 68 18.179 -4.979 -6.410 557 H TYR 69 H TYR 69 22.766 -5.227 -4.530 558 HA TYR 69 HA TYR 69 21.882 -2.850 -3.050 559 HB2 TYR 69 HB2 TYR 69 23.934 -4.856 -2.091 560 HB3 TYR 69 HB3 TYR 69 23.617 -3.301 -1.329 561 HD1 TYR 69 HD2 TYR 69 21.954 -6.499 -2.264 562 HD2 TYR 69 HD1 TYR 69 21.985 -3.125 0.327 563 HE1 TYR 69 HE2 TYR 69 20.185 -7.534 -0.904 564 HE2 TYR 69 HE1 TYR 69 20.217 -4.151 1.695 565 HH TYR 69 HH TYR 69 18.322 -5.926 1.223 566 H ARG 70 H ARG 70 23.613 -1.251 -2.744 567 HA ARG 70 HA ARG 70 25.952 -1.491 -4.437 568 HB2 ARG 70 HB2 ARG 70 23.782 0.538 -4.986 569 HB3 ARG 70 HB3 ARG 70 25.409 0.644 -5.643 570 HG2 ARG 70 HG2 ARG 70 25.057 -1.557 -6.733 571 HG3 ARG 70 HG3 ARG 70 23.385 -1.519 -6.167 572 HD2 ARG 70 HD2 ARG 70 23.421 0.849 -7.342 573 HD3 ARG 70 HD3 ARG 70 24.726 0.106 -8.267 574 HE ARG 70 HE ARG 70 22.754 -1.737 -8.399 575 HH11 ARG 70 HH11 ARG 70 22.877 1.679 -9.059 576 HH12 ARG 70 HH12 ARG 70 21.652 1.620 -10.283 577 HH21 ARG 70 HH21 ARG 70 21.140 -1.828 -10.009 578 HH22 ARG 70 HH22 ARG 70 20.664 -0.375 -10.821 579 H TYR 71 H TYR 71 27.420 0.359 -4.196 580 HA TYR 71 HA TYR 71 27.090 1.620 -1.556 581 HB2 TYR 71 HB2 TYR 71 29.703 1.177 -3.000 582 HB3 TYR 71 HB3 TYR 71 29.464 1.606 -1.310 583 HD1 TYR 71 HD1 TYR 71 28.496 -0.098 0.257 584 HD2 TYR 71 HD2 TYR 71 29.709 -1.085 -3.701 585 HE1 TYR 71 HE1 TYR 71 28.550 -2.479 0.873 586 HE2 TYR 71 HE2 TYR 71 29.765 -3.468 -3.096 587 HH TYR 71 HH TYR 71 29.622 -4.552 0.119 588 H GLN 72 H GLN 72 26.463 3.664 -1.741 589 HA GLN 72 HA GLN 72 27.878 5.390 -3.646 590 HB2 GLN 72 HB2 GLN 72 24.887 5.314 -3.224 591 HB3 GLN 72 HB3 GLN 72 25.732 6.571 -4.118 592 HG2 GLN 72 HG2 GLN 72 25.929 3.671 -4.859 593 HG3 GLN 72 HG3 GLN 72 24.647 4.719 -5.464 594 HE21 GLN 72 HE21 GLN 72 25.886 3.807 -7.444 595 HE22 GLN 72 HE22 GLN 72 27.106 4.849 -8.083 596 H PHE 73 H PHE 73 28.712 7.114 -2.682 597 HA PHE 73 HA PHE 73 27.883 7.755 0.037 598 HB2 PHE 73 HB2 PHE 73 30.213 8.718 -1.632 599 HB3 PHE 73 HB3 PHE 73 29.901 9.230 0.023 600 HD1 PHE 73 HD2 PHE 73 30.495 6.193 -2.035 601 HD2 PHE 73 HD1 PHE 73 30.779 8.027 1.795 602 HE1 PHE 73 HE2 PHE 73 31.755 4.251 -1.203 603 HE2 PHE 73 HE1 PHE 73 32.041 6.088 2.633 604 HZ PHE 73 HZ PHE 73 32.531 4.197 1.134 605 H GLY 74 H GLY 74 27.781 10.108 0.642 606 HA2 GLY 74 HA2 GLY 74 27.317 12.168 -1.169 607 HA3 GLY 74 HA3 GLY 74 25.768 11.385 -0.891 608 H LEU 75 H LEU 75 24.846 13.145 0.140 609 HA LEU 75 HA LEU 75 25.846 13.620 2.861 610 HB2 LEU 75 HB2 LEU 75 26.543 15.544 1.671 611 HB3 LEU 75 HB3 LEU 75 25.000 15.667 0.829 612 HG LEU 75 HG LEU 75 24.987 15.950 3.787 613 HD11 LEU 75 HD11 LEU 75 26.885 17.352 2.500 614 HD12 LEU 75 HD12 LEU 75 26.006 17.956 3.905 615 HD13 LEU 75 HD13 LEU 75 25.506 18.429 2.281 616 HD21 LEU 75 HD21 LEU 75 23.087 16.128 1.875 617 HD22 LEU 75 HD22 LEU 75 23.580 17.817 2.000 618 HD23 LEU 75 HD23 LEU 75 23.006 16.957 3.430 619 H PHE 76 H PHE 76 24.283 13.989 4.428 620 HA PHE 76 HA PHE 76 21.553 13.275 3.612 621 HB2 PHE 76 HB2 PHE 76 22.433 11.738 5.226 622 HB3 PHE 76 HB3 PHE 76 22.984 13.050 6.262 623 HD1 PHE 76 HD1 PHE 76 19.723 12.373 4.585 624 HD2 PHE 76 HD2 PHE 76 21.819 12.979 8.239 625 HE1 PHE 76 HE1 PHE 76 17.594 12.287 5.816 626 HE2 PHE 76 HE2 PHE 76 19.694 12.892 9.476 627 HZ PHE 76 HZ PHE 76 17.578 12.547 8.265 628 H ASP 77 H ASP 77 20.295 14.990 3.314 629 HA ASP 77 HA ASP 77 20.702 17.394 4.926 630 HB2 ASP 77 HB2 ASP 77 18.964 18.348 3.318 631 HB3 ASP 77 HB3 ASP 77 20.521 17.906 2.625 632 H LYS 78 H LYS 78 18.360 18.560 5.176 633 HA LYS 78 HA LYS 78 17.017 16.956 7.147 634 HB2 LYS 78 HB2 LYS 78 15.656 18.960 7.538 635 HB3 LYS 78 HB3 LYS 78 17.372 19.345 7.524 636 HG2 LYS 78 HG2 LYS 78 17.234 20.543 5.587 637 HG3 LYS 78 HG3 LYS 78 15.850 19.626 4.989 638 HD2 LYS 78 HD2 LYS 78 15.538 21.337 7.417 639 HD3 LYS 78 HD3 LYS 78 15.549 22.090 5.820 640 HE2 LYS 78 HE2 LYS 78 13.428 21.508 5.521 641 HE3 LYS 78 HE3 LYS 78 13.855 19.809 5.720 642 HZ1 LYS 78 HZ1 LYS 78 13.399 19.889 7.993 643 HZ2 LYS 78 HZ2 LYS 78 12.133 20.767 7.294 644 HZ3 LYS 78 HZ3 LYS 78 13.412 21.580 8.045 645 H GLU 79 H GLU 79 16.548 17.725 3.820 646 HA GLU 79 HA GLU 79 13.735 17.095 3.786 647 HB2 GLU 79 HB2 GLU 79 15.782 17.867 1.763 648 HB3 GLU 79 HB3 GLU 79 14.346 17.024 1.197 649 HG2 GLU 79 HG2 GLU 79 13.386 19.001 2.901 650 HG3 GLU 79 HG3 GLU 79 14.676 19.774 1.982 651 H GLY 80 H GLY 80 16.555 15.291 3.925 652 HA2 GLY 80 HA2 GLY 80 16.904 13.019 3.838 653 HA3 GLY 80 HA3 GLY 80 15.170 12.825 3.627 654 H ASN 81 H ASN 81 16.845 14.855 1.401 655 HA ASN 81 HA ASN 81 16.331 12.910 -0.717 656 HB2 ASN 81 HB2 ASN 81 16.305 14.691 -2.221 657 HB3 ASN 81 HB3 ASN 81 15.636 15.417 -0.763 658 HD21 ASN 81 HD21 ASN 81 16.605 17.145 0.082 659 HD22 ASN 81 HD22 ASN 81 18.109 17.803 -0.459 660 H TRP 82 H TRP 82 17.938 12.585 -2.413 661 HA TRP 82 HA TRP 82 20.581 12.242 -1.257 662 HB2 TRP 82 HB2 TRP 82 21.040 10.980 -3.372 663 HB3 TRP 82 HB3 TRP 82 19.690 10.344 -2.436 664 HD1 TRP 82 HD1 TRP 82 20.440 12.248 -5.684 665 HE1 TRP 82 HE1 TRP 82 18.392 12.059 -7.231 666 HE3 TRP 82 HE3 TRP 82 17.195 9.968 -2.458 667 HZ2 TRP 82 HZ2 TRP 82 15.750 11.074 -7.101 668 HZ3 TRP 82 HZ3 TRP 82 14.926 9.437 -3.247 669 HH2 TRP 82 HH2 TRP 82 14.220 9.980 -5.521 670 H THR 83 H THR 83 22.334 13.417 -1.743 671 HA THR 83 HA THR 83 22.362 15.077 -4.142 672 HB THR 83 HB THR 83 23.202 16.420 -1.612 673 HG1 THR 83 HG1 THR 83 21.207 16.688 -0.939 674 HG21 THR 83 HG21 THR 83 22.688 17.114 -4.382 675 HG22 THR 83 HG22 THR 83 23.572 18.006 -3.144 676 HG23 THR 83 HG23 THR 83 21.821 18.169 -3.268 677 H VAL 84 H VAL 84 24.322 15.144 -5.062 678 HA VAL 84 HA VAL 84 26.454 13.592 -4.002 679 HB VAL 84 HB VAL 84 27.763 14.509 -5.936 680 HG11 VAL 84 HG11 VAL 84 26.524 13.295 -7.613 681 HG12 VAL 84 HG12 VAL 84 26.397 12.448 -6.069 682 HG13 VAL 84 HG13 VAL 84 25.046 13.418 -6.659 683 HG21 VAL 84 HG21 VAL 84 25.569 15.603 -7.394 684 HG22 VAL 84 HG22 VAL 84 25.740 16.481 -5.874 685 HG23 VAL 84 HG23 VAL 84 27.108 16.357 -6.979 686 H VAL 85 H VAL 85 27.880 14.178 -2.517 687 HA VAL 85 HA VAL 85 28.898 16.917 -2.487 688 HB VAL 85 HB VAL 85 27.998 15.598 0.070 689 HG11 VAL 85 HG11 VAL 85 28.366 17.737 1.068 690 HG12 VAL 85 HG12 VAL 85 29.811 17.319 0.145 691 HG13 VAL 85 HG13 VAL 85 28.654 18.482 -0.504 692 HG21 VAL 85 HG21 VAL 85 26.128 17.257 0.026 693 HG22 VAL 85 HG22 VAL 85 26.542 17.595 -1.655 694 HG23 VAL 85 HG23 VAL 85 26.001 15.983 -1.187 695 HA PRO 86 HA PRO 86 32.679 14.677 -1.982 696 HB2 PRO 86 HB2 PRO 86 34.274 16.807 -1.446 697 HB3 PRO 86 HB3 PRO 86 33.677 16.439 -3.068 698 HG2 PRO 86 HG2 PRO 86 32.648 18.421 -1.074 699 HG3 PRO 86 HG3 PRO 86 32.875 18.608 -2.823 700 HD2 PRO 86 HD2 PRO 86 30.456 18.110 -1.714 701 HD3 PRO 86 HD3 PRO 86 30.910 17.513 -3.323 702 H ILE 87 H ILE 87 33.770 13.764 -0.317 703 HA ILE 87 HA ILE 87 32.964 14.502 2.376 704 HB ILE 87 HB ILE 87 34.797 12.245 1.578 705 HG12 ILE 87 HG12 ILE 87 32.678 12.031 0.365 706 HG13 ILE 87 HG13 ILE 87 32.809 10.798 1.614 707 HG21 ILE 87 HG21 ILE 87 34.918 12.705 3.910 708 HG22 ILE 87 HG22 ILE 87 33.165 12.832 4.038 709 HG23 ILE 87 HG23 ILE 87 33.914 11.269 3.713 710 HD11 ILE 87 HD11 ILE 87 31.281 11.962 3.020 711 HD12 ILE 87 HD12 ILE 87 31.283 13.365 1.951 712 HD13 ILE 87 HD13 ILE 87 30.565 11.847 1.413 713 H ASN 88 H ASN 88 34.466 14.864 4.086 714 HA ASN 88 HA ASN 88 36.495 16.692 3.495 715 HB2 ASN 88 HB2 ASN 88 35.296 15.598 5.830 716 HB3 ASN 88 HB3 ASN 88 37.041 15.456 6.016 717 HD21 ASN 88 HD21 ASN 88 34.979 17.890 4.469 718 HD22 ASN 88 HD22 ASN 88 35.585 19.228 5.378 719 H GLU 89 H GLU 89 38.751 16.127 4.831 720 HA GLU 89 HA GLU 89 40.321 14.730 3.059 721 HB2 GLU 89 HB2 GLU 89 40.675 15.984 5.586 722 HB3 GLU 89 HB3 GLU 89 41.456 14.410 5.660 723 HG2 GLU 89 HG2 GLU 89 42.957 14.926 3.981 724 HG3 GLU 89 HG3 GLU 89 41.947 16.220 3.338 725 H THR 90 H THR 90 41.648 12.730 3.592 726 HA THR 90 HA THR 90 40.069 10.474 3.569 727 HB THR 90 HB THR 90 42.293 10.224 2.816 728 HG1 THR 90 HG1 THR 90 43.099 8.553 4.344 729 HG21 THR 90 HG21 THR 90 42.931 11.734 5.213 730 HG22 THR 90 HG22 THR 90 43.855 11.544 3.722 731 HG23 THR 90 HG23 THR 90 43.994 10.343 5.005 732 H GLU 91 H GLU 91 41.234 12.286 6.299 733 HA GLU 91 HA GLU 91 41.069 10.427 8.343 734 HB2 GLU 91 HB2 GLU 91 40.590 12.358 9.832 735 HB3 GLU 91 HB3 GLU 91 41.945 12.636 8.746 736 HG2 GLU 91 HG2 GLU 91 40.271 13.808 7.226 737 HG3 GLU 91 HG3 GLU 91 39.179 13.783 8.610 738 H VAL 92 H VAL 92 38.493 12.378 6.896 739 HA VAL 92 HA VAL 92 36.473 11.289 8.642 740 HB VAL 92 HB VAL 92 36.228 12.998 6.163 741 HG11 VAL 92 HG11 VAL 92 34.165 11.920 6.307 742 HG12 VAL 92 HG12 VAL 92 34.175 11.933 8.072 743 HG13 VAL 92 HG13 VAL 92 33.907 13.431 7.179 744 HG21 VAL 92 HG21 VAL 92 37.185 14.402 7.709 745 HG22 VAL 92 HG22 VAL 92 35.474 14.640 8.067 746 HG23 VAL 92 HG23 VAL 92 36.447 13.574 9.080 747 H VAL 93 H VAL 93 37.283 11.001 5.190 748 HA VAL 93 HA VAL 93 35.281 9.296 4.369 749 HB VAL 93 HB VAL 93 37.482 10.322 3.165 750 HG11 VAL 93 HG11 VAL 93 37.966 7.348 3.260 751 HG12 VAL 93 HG12 VAL 93 38.926 8.558 2.407 752 HG13 VAL 93 HG13 VAL 93 38.893 8.539 4.171 753 HG21 VAL 93 HG21 VAL 93 35.948 7.964 2.084 754 HG22 VAL 93 HG22 VAL 93 35.303 9.603 2.167 755 HG23 VAL 93 HG23 VAL 93 36.714 9.259 1.165 756 H GLU 94 H GLU 94 38.176 8.563 6.204 757 HA GLU 94 HA GLU 94 38.183 5.775 5.937 758 HB2 GLU 94 HB2 GLU 94 39.243 7.685 7.979 759 HB3 GLU 94 HB3 GLU 94 39.260 5.963 8.332 760 HG2 GLU 94 HG2 GLU 94 40.326 6.013 5.832 761 HG3 GLU 94 HG3 GLU 94 40.920 7.530 6.505 762 H ARG 95 H ARG 95 36.389 7.901 8.086 763 HA ARG 95 HA ARG 95 35.347 5.812 9.729 764 HB2 ARG 95 HB2 ARG 95 35.448 8.001 10.671 765 HB3 ARG 95 HB3 ARG 95 34.554 8.693 9.323 766 HG2 ARG 95 HG2 ARG 95 33.139 8.546 11.268 767 HG3 ARG 95 HG3 ARG 95 32.562 7.438 10.022 768 HD2 ARG 95 HD2 ARG 95 32.457 6.226 12.037 769 HD3 ARG 95 HD3 ARG 95 33.899 5.639 11.210 770 HE ARG 95 HE ARG 95 34.553 7.758 12.969 771 HH11 ARG 95 HH11 ARG 95 33.676 4.390 12.935 772 HH12 ARG 95 HH12 ARG 95 34.497 4.026 14.417 773 HH21 ARG 95 HH21 ARG 95 35.638 7.293 14.921 774 HH22 ARG 95 HH22 ARG 95 35.612 5.679 15.546 775 H LEU 96 H LEU 96 34.342 7.375 6.771 776 HA LEU 96 HA LEU 96 31.660 6.424 6.784 777 HB2 LEU 96 HB2 LEU 96 33.421 7.362 4.526 778 HB3 LEU 96 HB3 LEU 96 31.699 7.022 4.374 779 HG LEU 96 HG LEU 96 32.997 9.229 5.964 780 HD11 LEU 96 HD11 LEU 96 31.033 9.337 3.682 781 HD12 LEU 96 HD12 LEU 96 32.776 9.539 3.511 782 HD13 LEU 96 HD13 LEU 96 31.844 10.697 4.460 783 HD21 LEU 96 HD21 LEU 96 30.393 7.940 6.263 784 HD22 LEU 96 HD22 LEU 96 30.298 9.685 6.026 785 HD23 LEU 96 HD23 LEU 96 31.255 9.026 7.353 786 H GLU 97 H GLU 97 34.710 5.168 5.585 787 HA GLU 97 HA GLU 97 33.662 3.082 3.999 788 HB2 GLU 97 HB2 GLU 97 36.321 3.357 5.406 789 HB3 GLU 97 HB3 GLU 97 35.938 2.065 4.277 790 HG2 GLU 97 HG2 GLU 97 36.261 4.991 3.738 791 HG3 GLU 97 HG3 GLU 97 37.115 3.629 3.014 792 H TYR 98 H TYR 98 34.385 3.347 7.419 793 HA TYR 98 HA TYR 98 34.130 0.569 7.999 794 HB2 TYR 98 HB2 TYR 98 35.343 1.726 9.615 795 HB3 TYR 98 HB3 TYR 98 34.213 3.076 9.642 796 HD1 TYR 98 HD1 TYR 98 34.186 -0.601 10.346 797 HD2 TYR 98 HD2 TYR 98 32.905 3.281 11.525 798 HE1 TYR 98 HE1 TYR 98 33.088 -1.570 12.322 799 HE2 TYR 98 HE2 TYR 98 31.804 2.323 13.505 800 HH TYR 98 HH TYR 98 30.812 -0.161 14.036 801 H THR 99 H THR 99 31.934 3.335 8.140 802 HA THR 99 HA THR 99 29.766 2.067 9.379 803 HB THR 99 HB THR 99 28.494 3.843 7.784 804 HG1 THR 99 HG1 THR 99 30.153 4.666 6.643 805 HG21 THR 99 HG21 THR 99 28.483 5.288 9.623 806 HG22 THR 99 HG22 THR 99 30.120 4.841 10.102 807 HG23 THR 99 HG23 THR 99 28.791 3.707 10.341 808 H LEU 100 H LEU 100 30.543 2.443 5.931 809 HA LEU 100 HA LEU 100 28.249 1.101 4.971 810 HB2 LEU 100 HB2 LEU 100 29.133 1.376 2.886 811 HB3 LEU 100 HB3 LEU 100 30.014 2.620 3.771 812 HG LEU 100 HG LEU 100 31.789 0.678 4.033 813 HD11 LEU 100 HD11 LEU 100 31.286 -0.136 1.337 814 HD12 LEU 100 HD12 LEU 100 29.891 -0.522 2.345 815 HD13 LEU 100 HD13 LEU 100 31.489 -1.126 2.783 816 HD21 LEU 100 HD21 LEU 100 31.659 1.952 1.338 817 HD22 LEU 100 HD22 LEU 100 33.037 1.743 2.419 818 HD23 LEU 100 HD23 LEU 100 31.814 2.965 2.774 819 H ARG 101 H ARG 101 31.427 0.008 5.969 820 HA ARG 101 HA ARG 101 31.218 -2.625 4.927 821 HB2 ARG 101 HB2 ARG 101 33.188 -1.110 6.193 822 HB3 ARG 101 HB3 ARG 101 32.868 -2.433 7.307 823 HG2 ARG 101 HG2 ARG 101 34.679 -2.985 5.787 824 HG3 ARG 101 HG3 ARG 101 33.292 -4.044 5.526 825 HD2 ARG 101 HD2 ARG 101 32.984 -3.311 3.431 826 HD3 ARG 101 HD3 ARG 101 33.241 -1.628 3.889 827 HE ARG 101 HE ARG 101 35.372 -1.816 3.113 828 HH11 ARG 101 HH11 ARG 101 34.193 -5.002 3.876 829 HH12 ARG 101 HH12 ARG 101 35.609 -5.809 3.287 830 HH21 ARG 101 HH21 ARG 101 37.241 -2.867 2.335 831 HH22 ARG 101 HH22 ARG 101 37.342 -4.593 2.412 832 H GLU 102 H GLU 102 30.538 -1.204 8.102 833 HA GLU 102 HA GLU 102 29.806 -3.672 9.322 834 HB2 GLU 102 HB2 GLU 102 30.043 -0.908 10.103 835 HB3 GLU 102 HB3 GLU 102 28.530 -1.576 10.700 836 HG2 GLU 102 HG2 GLU 102 31.090 -3.063 11.091 837 HG3 GLU 102 HG3 GLU 102 30.656 -1.728 12.158 838 H PHE 103 H PHE 103 28.117 -1.261 7.464 839 HA PHE 103 HA PHE 103 25.481 -2.049 8.197 840 HB2 PHE 103 HB2 PHE 103 26.398 0.134 7.003 841 HB3 PHE 103 HB3 PHE 103 26.031 -0.788 5.548 842 HD1 PHE 103 HD2 PHE 103 23.665 -1.724 5.314 843 HD2 PHE 103 HD1 PHE 103 24.728 1.294 8.120 844 HE1 PHE 103 HE2 PHE 103 21.302 -1.062 5.492 845 HE2 PHE 103 HE1 PHE 103 22.366 1.961 8.303 846 HZ PHE 103 HZ PHE 103 20.650 0.784 6.986 847 H HIS 104 H HIS 104 27.677 -2.916 5.576 848 HA HIS 104 HA HIS 104 25.798 -4.510 4.152 849 HB2 HIS 104 HB2 HIS 104 27.696 -3.640 2.965 850 HB3 HIS 104 HB3 HIS 104 28.817 -4.402 4.091 851 HD1 HIS 104 HD1 HIS 104 28.980 -7.054 3.945 852 HD2 HIS 104 HD2 HIS 104 26.924 -5.202 0.845 853 HE1 HIS 104 HE1 HIS 104 28.829 -8.774 2.116 854 H GLU 105 H GLU 105 28.067 -5.118 6.745 855 HA GLU 105 HA GLU 105 28.087 -7.933 6.611 856 HB2 GLU 105 HB2 GLU 105 28.997 -5.873 8.458 857 HB3 GLU 105 HB3 GLU 105 28.420 -7.307 9.295 858 HG2 GLU 105 HG2 GLU 105 29.925 -8.647 7.777 859 HG3 GLU 105 HG3 GLU 105 30.628 -7.112 7.271 860 H LYS 106 H LYS 106 26.127 -5.691 8.552 861 HA LYS 106 HA LYS 106 24.588 -7.730 9.798 862 HB2 LYS 106 HB2 LYS 106 23.410 -6.018 10.825 863 HB3 LYS 106 HB3 LYS 106 24.953 -5.245 10.490 864 HG2 LYS 106 HG2 LYS 106 23.756 -4.517 8.276 865 HG3 LYS 106 HG3 LYS 106 22.296 -4.807 9.225 866 HD2 LYS 106 HD2 LYS 106 24.572 -2.990 10.016 867 HD3 LYS 106 HD3 LYS 106 23.024 -2.465 9.352 868 HE2 LYS 106 HE2 LYS 106 21.857 -3.359 11.271 869 HE3 LYS 106 HE3 LYS 106 23.358 -4.024 11.912 870 HZ1 LYS 106 HZ1 LYS 106 23.189 -2.087 13.086 871 HZ2 LYS 106 HZ2 LYS 106 22.451 -1.235 11.825 872 HZ3 LYS 106 HZ3 LYS 106 24.113 -1.549 11.774 873 H LEU 107 H LEU 107 24.273 -5.908 6.831 874 HA LEU 107 HA LEU 107 21.579 -6.376 6.263 875 HB2 LEU 107 HB2 LEU 107 23.615 -5.076 5.027 876 HB3 LEU 107 HB3 LEU 107 23.418 -6.473 3.971 877 HG LEU 107 HG LEU 107 22.126 -4.729 3.036 878 HD11 LEU 107 HD11 LEU 107 19.824 -5.591 3.217 879 HD12 LEU 107 HD12 LEU 107 20.325 -6.584 4.585 880 HD13 LEU 107 HD13 LEU 107 21.015 -6.871 2.988 881 HD21 LEU 107 HD21 LEU 107 20.185 -4.088 4.964 882 HD22 LEU 107 HD22 LEU 107 21.441 -3.041 4.303 883 HD23 LEU 107 HD23 LEU 107 21.749 -3.969 5.771 884 H ARG 108 H ARG 108 24.416 -8.396 5.807 885 HA ARG 108 HA ARG 108 23.322 -10.344 4.130 886 HB2 ARG 108 HB2 ARG 108 25.763 -9.971 5.090 887 HB3 ARG 108 HB3 ARG 108 25.229 -11.154 6.276 888 HG2 ARG 108 HG2 ARG 108 24.934 -12.817 4.649 889 HG3 ARG 108 HG3 ARG 108 24.996 -11.649 3.328 890 HD2 ARG 108 HD2 ARG 108 27.227 -11.727 3.230 891 HD3 ARG 108 HD3 ARG 108 27.388 -11.608 4.982 892 HE ARG 108 HE ARG 108 27.403 -14.011 3.392 893 HH11 ARG 108 HH11 ARG 108 26.899 -12.651 6.557 894 HH12 ARG 108 HH12 ARG 108 27.225 -14.135 7.389 895 HH21 ARG 108 HH21 ARG 108 27.835 -15.970 4.476 896 HH22 ARG 108 HH22 ARG 108 27.758 -16.022 6.205 897 H ASP 109 H ASP 109 23.407 -10.172 7.676 898 HA ASP 109 HA ASP 109 22.205 -12.616 8.241 899 HB2 ASP 109 HB2 ASP 109 23.248 -10.854 9.833 900 HB3 ASP 109 HB3 ASP 109 21.629 -10.160 9.875 901 H LEU 110 H LEU 110 20.702 -9.451 7.669 902 HA LEU 110 HA LEU 110 18.050 -10.194 8.134 903 HB2 LEU 110 HB2 LEU 110 18.635 -7.888 7.962 904 HB3 LEU 110 HB3 LEU 110 19.240 -8.107 6.321 905 HG LEU 110 HG LEU 110 16.828 -8.686 5.698 906 HD11 LEU 110 HD11 LEU 110 15.837 -7.031 7.888 907 HD12 LEU 110 HD12 LEU 110 16.434 -8.608 8.404 908 HD13 LEU 110 HD13 LEU 110 15.168 -8.503 7.181 909 HD21 LEU 110 HD21 LEU 110 16.378 -6.466 5.175 910 HD22 LEU 110 HD22 LEU 110 18.135 -6.497 5.328 911 HD23 LEU 110 HD23 LEU 110 17.145 -5.860 6.643 912 H LEU 111 H LEU 111 19.869 -10.108 5.076 913 HA LEU 111 HA LEU 111 17.778 -11.087 3.461 914 HB2 LEU 111 HB2 LEU 111 20.767 -11.178 3.104 915 HB3 LEU 111 HB3 LEU 111 19.613 -11.657 1.861 916 HG LEU 111 HG LEU 111 20.005 -8.895 3.007 917 HD11 LEU 111 HD11 LEU 111 21.432 -10.160 1.061 918 HD12 LEU 111 HD12 LEU 111 21.223 -8.414 1.193 919 HD13 LEU 111 HD13 LEU 111 20.178 -9.349 0.122 920 HD21 LEU 111 HD21 LEU 111 18.348 -8.751 0.779 921 HD22 LEU 111 HD22 LEU 111 17.884 -8.504 2.463 922 HD23 LEU 111 HD23 LEU 111 17.710 -10.097 1.724 923 H ILE 112 H ILE 112 20.316 -12.693 5.297 924 HA ILE 112 HA ILE 112 20.009 -15.280 4.264 925 HB ILE 112 HB ILE 112 20.935 -14.323 6.966 926 HG12 ILE 112 HG12 ILE 112 22.622 -15.710 4.921 927 HG13 ILE 112 HG13 ILE 112 22.212 -14.015 4.681 928 HG21 ILE 112 HG21 ILE 112 20.080 -16.504 7.367 929 HG22 ILE 112 HG22 ILE 112 20.806 -17.129 5.887 930 HG23 ILE 112 HG23 ILE 112 21.833 -16.653 7.240 931 HD11 ILE 112 HD11 ILE 112 23.268 -13.412 6.743 932 HD12 ILE 112 HD12 ILE 112 23.546 -15.107 7.144 933 HD13 ILE 112 HD13 ILE 112 24.392 -14.372 5.783 934 H SER 113 H SER 113 18.314 -13.589 6.854 935 HA SER 113 HA SER 113 16.824 -15.872 7.709 936 HB2 SER 113 HB2 SER 113 17.296 -13.338 8.726 937 HB3 SER 113 HB3 SER 113 15.588 -13.288 8.288 938 HG SER 113 HG SER 113 15.458 -15.357 9.474 939 H MET 114 H MET 114 16.508 -13.601 5.156 940 HA MET 114 HA MET 114 13.676 -14.194 4.765 941 HB2 MET 114 HB2 MET 114 15.584 -12.213 3.563 942 HB3 MET 114 HB3 MET 114 14.061 -12.581 2.764 943 HG2 MET 114 HG2 MET 114 13.157 -12.103 5.237 944 HG3 MET 114 HG3 MET 114 14.592 -11.081 5.245 945 HE1 MET 114 HE1 MET 114 13.645 -8.111 4.316 946 HE2 MET 114 HE2 MET 114 14.997 -9.243 4.324 947 HE3 MET 114 HE3 MET 114 14.382 -8.616 2.795 948 H GLU 115 H GLU 115 16.623 -15.482 3.903 949 HA GLU 115 HA GLU 115 17.303 -17.016 2.366 950 HB2 GLU 115 HB2 GLU 115 14.316 -17.414 2.208 951 HB3 GLU 115 HB3 GLU 115 15.460 -18.421 1.331 952 HG2 GLU 115 HG2 GLU 115 16.527 -18.952 3.542 953 HG3 GLU 115 HG3 GLU 115 15.160 -18.142 4.307 954 H LEU 116 H LEU 116 17.263 -14.403 1.462 955 HA LEU 116 HA LEU 116 16.221 -14.571 -1.278 956 HB2 LEU 116 HB2 LEU 116 16.817 -12.357 0.593 957 HB3 LEU 116 HB3 LEU 116 17.112 -12.052 -1.117 958 HG LEU 116 HG LEU 116 14.472 -13.188 -0.412 959 HD11 LEU 116 HD11 LEU 116 14.978 -11.477 1.365 960 HD12 LEU 116 HD12 LEU 116 13.551 -11.158 0.381 961 HD13 LEU 116 HD13 LEU 116 15.047 -10.276 0.075 962 HD21 LEU 116 HD21 LEU 116 14.621 -12.731 -2.654 963 HD22 LEU 116 HD22 LEU 116 15.659 -11.325 -2.412 964 HD23 LEU 116 HD23 LEU 116 13.933 -11.219 -2.062 965 H ALA 117 H ALA 117 17.681 -13.301 -2.887 966 HA ALA 117 HA ALA 117 20.338 -14.512 -2.711 967 HB1 ALA 117 HB1 ALA 117 18.510 -14.338 -4.777 968 HB2 ALA 117 HB2 ALA 117 19.742 -13.149 -5.200 969 HB3 ALA 117 HB3 ALA 117 20.199 -14.827 -4.911 970 H LEU 118 H LEU 118 22.224 -13.356 -2.806 971 HA LEU 118 HA LEU 118 22.002 -10.423 -2.859 972 HB2 LEU 118 HB2 LEU 118 22.256 -11.162 -0.552 973 HB3 LEU 118 HB3 LEU 118 23.698 -12.075 -0.992 974 HG LEU 118 HG LEU 118 24.910 -10.035 -1.431 975 HD11 LEU 118 HD11 LEU 118 23.342 -7.973 -0.468 976 HD12 LEU 118 HD12 LEU 118 22.245 -8.898 -1.493 977 HD13 LEU 118 HD13 LEU 118 23.757 -8.276 -2.155 978 HD21 LEU 118 HD21 LEU 118 24.548 -10.953 0.945 979 HD22 LEU 118 HD22 LEU 118 23.497 -9.554 1.169 980 HD23 LEU 118 HD23 LEU 118 25.199 -9.323 0.768 981 H GLU 119 H GLU 119 23.042 -9.742 -4.608 982 HA GLU 119 HA GLU 119 25.650 -10.955 -5.240 983 HB2 GLU 119 HB2 GLU 119 23.399 -10.228 -7.100 984 HB3 GLU 119 HB3 GLU 119 25.057 -10.343 -7.671 985 HG2 GLU 119 HG2 GLU 119 24.408 -12.456 -8.118 986 HG3 GLU 119 HG3 GLU 119 24.903 -12.693 -6.443 987 HA PRO 120 HA PRO 120 27.352 -6.912 -5.253 988 HB2 PRO 120 HB2 PRO 120 29.206 -7.096 -7.228 989 HB3 PRO 120 HB3 PRO 120 29.392 -7.890 -5.660 990 HG2 PRO 120 HG2 PRO 120 28.469 -9.038 -8.266 991 HG3 PRO 120 HG3 PRO 120 29.580 -9.730 -7.069 992 HD2 PRO 120 HD2 PRO 120 26.983 -10.475 -7.246 993 HD3 PRO 120 HD3 PRO 120 27.866 -10.448 -5.706 994 H SER 121 H SER 121 27.863 -5.017 -6.689 995 HA SER 121 HA SER 121 25.614 -4.503 -8.395 996 HB2 SER 121 HB2 SER 121 26.650 -2.794 -6.872 997 HB3 SER 121 HB3 SER 121 28.044 -2.756 -7.951 998 HG SER 121 HG SER 121 26.956 -1.522 -9.247 999 H ASP 122 H ASP 122 25.528 -4.390 -10.577 1000 HA ASP 122 HA ASP 122 27.351 -5.824 -12.134 1001 HB2 ASP 122 HB2 ASP 122 26.158 -4.761 -14.085 1002 HB3 ASP 122 HB3 ASP 122 25.109 -5.566 -12.922 1003 H ASP 123 H ASP 123 27.398 -2.556 -11.070 1004 HA ASP 123 HA ASP 123 29.414 -1.802 -13.054 1005 HB2 ASP 123 HB2 ASP 123 27.438 -0.297 -12.397 1006 HB3 ASP 123 HB3 ASP 123 28.310 -0.018 -10.892 1007 H PHE 124 H PHE 124 29.877 -3.729 -10.837 1008 HA PHE 124 HA PHE 124 32.029 -2.278 -9.441 1009 HB2 PHE 124 HB2 PHE 124 29.992 -3.451 -8.186 1010 HB3 PHE 124 HB3 PHE 124 31.017 -4.870 -8.378 1011 HD1 PHE 124 HD1 PHE 124 33.393 -4.752 -7.492 1012 HD2 PHE 124 HD2 PHE 124 30.387 -1.913 -6.484 1013 HE1 PHE 124 HE1 PHE 124 34.697 -4.077 -5.518 1014 HE2 PHE 124 HE2 PHE 124 31.687 -1.232 -4.509 1015 HZ PHE 124 HZ PHE 124 33.845 -2.316 -4.023 1016 H ASN 125 H ASN 125 33.880 -2.685 -10.471 1017 HA ASN 125 HA ASN 125 34.365 -5.378 -11.527 1018 HB2 ASN 125 HB2 ASN 125 34.715 -3.706 -13.190 1019 HB3 ASN 125 HB3 ASN 125 35.661 -2.711 -12.088 1020 HD21 ASN 125 HD21 ASN 125 37.675 -2.668 -12.759 1021 HD22 ASN 125 HD22 ASN 125 38.598 -4.024 -13.300 1022 H ASP 126 H ASP 126 36.538 -2.883 -10.219 1023 HA ASP 126 HA ASP 126 37.344 -4.511 -8.002 1024 HB2 ASP 126 HB2 ASP 126 38.601 -5.682 -9.702 1025 HB3 ASP 126 HB3 ASP 126 39.233 -4.166 -10.338 1026 H GLU 127 H GLU 127 37.416 -2.982 -6.495 1027 HA GLU 127 HA GLU 127 39.363 -0.950 -6.499 1028 HB2 GLU 127 HB2 GLU 127 37.739 1.004 -6.481 1029 HB3 GLU 127 HB3 GLU 127 38.066 0.275 -8.047 1030 HG2 GLU 127 HG2 GLU 127 35.972 -0.952 -7.933 1031 HG3 GLU 127 HG3 GLU 127 35.648 -0.272 -6.340 1032 HA PRO 128 HA PRO 128 37.464 -2.222 -2.445 1033 HB2 PRO 128 HB2 PRO 128 39.815 -2.949 -1.298 1034 HB3 PRO 128 HB3 PRO 128 38.839 -4.054 -2.274 1035 HG2 PRO 128 HG2 PRO 128 41.260 -2.474 -3.051 1036 HG3 PRO 128 HG3 PRO 128 40.852 -4.156 -3.434 1037 HD2 PRO 128 HD2 PRO 128 40.498 -2.133 -5.199 1038 HD3 PRO 128 HD3 PRO 128 39.435 -3.554 -5.150 1039 H VAL 129 H VAL 129 37.572 -1.110 -0.481 1040 HA VAL 129 HA VAL 129 39.086 1.407 -0.593 1041 HB VAL 129 HB VAL 129 37.505 2.186 1.175 1042 HG11 VAL 129 HG11 VAL 129 35.443 2.044 -0.467 1043 HG12 VAL 129 HG12 VAL 129 36.869 3.006 -0.862 1044 HG13 VAL 129 HG13 VAL 129 36.663 1.402 -1.567 1045 HG21 VAL 129 HG21 VAL 129 36.865 -0.545 1.317 1046 HG22 VAL 129 HG22 VAL 129 36.135 0.782 2.220 1047 HG23 VAL 129 HG23 VAL 129 35.432 0.266 0.687 1048 H LYS 130 H LYS 130 40.643 1.845 0.842 1049 HA LYS 130 HA LYS 130 41.446 -0.200 2.705 1050 HB2 LYS 130 HB2 LYS 130 42.579 2.484 1.939 1051 HB3 LYS 130 HB3 LYS 130 43.262 1.527 3.247 1052 HG2 LYS 130 HG2 LYS 130 43.805 -0.255 1.743 1053 HG3 LYS 130 HG3 LYS 130 42.956 0.545 0.419 1054 HD2 LYS 130 HD2 LYS 130 44.563 2.438 0.620 1055 HD3 LYS 130 HD3 LYS 130 45.455 1.496 1.817 1056 HE2 LYS 130 HE2 LYS 130 46.623 0.945 -0.069 1057 HE3 LYS 130 HE3 LYS 130 45.404 -0.329 -0.084 1058 HZ1 LYS 130 HZ1 LYS 130 44.563 0.435 -1.978 1059 HZ2 LYS 130 HZ2 LYS 130 45.936 1.414 -2.114 1060 HZ3 LYS 130 HZ3 LYS 130 44.519 2.034 -1.427 1061 H LEU 131 H LEU 131 40.030 -0.343 4.388 1062 HA LEU 131 HA LEU 131 38.967 1.945 5.729 1063 HB2 LEU 131 HB2 LEU 131 38.919 -1.003 6.176 1064 HB3 LEU 131 HB3 LEU 131 38.434 0.071 7.486 1065 HG LEU 131 HG LEU 131 36.734 1.054 5.915 1066 HD11 LEU 131 HD11 LEU 131 36.121 -0.219 3.947 1067 HD12 LEU 131 HD12 LEU 131 37.435 -1.356 4.245 1068 HD13 LEU 131 HD13 LEU 131 37.796 0.318 3.826 1069 HD21 LEU 131 HD21 LEU 131 35.162 -0.787 6.191 1070 HD22 LEU 131 HD22 LEU 131 36.143 -0.574 7.642 1071 HD23 LEU 131 HD23 LEU 131 36.497 -1.892 6.523 1072 H SER 132 H SER 132 41.741 -0.128 6.170 1073 HA SER 132 HA SER 132 42.385 1.210 8.702 1074 HB2 SER 132 HB2 SER 132 43.459 -1.304 7.414 1075 HB3 SER 132 HB3 SER 132 44.176 -0.578 8.853 1076 HG SER 132 HG SER 132 42.617 -2.234 9.312 1077 H ALA 133 H ALA 133 42.639 2.907 6.645 1078 HA ALA 133 HA ALA 133 44.063 4.258 5.480 1079 HB1 ALA 133 HB1 ALA 133 46.319 3.591 7.279 1080 HB2 ALA 133 HB2 ALA 133 45.694 5.161 6.775 1081 HB3 ALA 133 HB3 ALA 133 44.856 4.239 8.022 Start of MODEL 18 1 H MET 1 H MET 1 0.626 0.018 -3.601 2 HA MET 1 HA MET 1 1.453 0.038 -1.123 3 HB2 MET 1 HB2 MET 1 -0.765 -0.953 -2.189 4 HB3 MET 1 HB3 MET 1 0.001 -2.483 -1.781 5 HG2 MET 1 HG2 MET 1 0.144 -1.830 0.542 6 HG3 MET 1 HG3 MET 1 -0.528 -0.246 0.161 7 HE1 MET 1 HE1 MET 1 -2.530 0.409 0.267 8 HE2 MET 1 HE2 MET 1 -4.059 -0.462 0.158 9 HE3 MET 1 HE3 MET 1 -3.171 -0.426 1.682 10 H THR 2 H THR 2 2.117 -2.714 -3.252 11 HA THR 2 HA THR 2 4.245 -3.532 -1.387 12 HB THR 2 HB THR 2 3.820 -5.876 -1.893 13 HG1 THR 2 HG1 THR 2 2.113 -6.478 -3.212 14 HG21 THR 2 HG21 THR 2 2.616 -4.773 -0.007 15 HG22 THR 2 HG22 THR 2 1.767 -6.169 -0.671 16 HG23 THR 2 HG23 THR 2 1.239 -4.537 -1.082 17 H LEU 3 H LEU 3 5.982 -4.785 -2.406 18 HA LEU 3 HA LEU 3 6.941 -3.531 -4.741 19 HB2 LEU 3 HB2 LEU 3 7.906 -6.165 -3.661 20 HB3 LEU 3 HB3 LEU 3 8.818 -4.969 -4.580 21 HG LEU 3 HG LEU 3 7.739 -4.245 -1.889 22 HD11 LEU 3 HD11 LEU 3 8.909 -5.841 -0.882 23 HD12 LEU 3 HD12 LEU 3 10.368 -5.053 -1.482 24 HD13 LEU 3 HD13 LEU 3 9.631 -6.364 -2.404 25 HD21 LEU 3 HD21 LEU 3 8.698 -2.392 -2.831 26 HD22 LEU 3 HD22 LEU 3 9.878 -3.329 -3.747 27 HD23 LEU 3 HD23 LEU 3 10.098 -3.086 -2.013 28 HA PRO 4 HA PRO 4 5.248 -5.893 -8.031 29 HB2 PRO 4 HB2 PRO 4 7.288 -5.828 -9.822 30 HB3 PRO 4 HB3 PRO 4 6.283 -4.420 -9.459 31 HG2 PRO 4 HG2 PRO 4 9.002 -5.123 -8.424 32 HG3 PRO 4 HG3 PRO 4 8.385 -3.554 -8.972 33 HD2 PRO 4 HD2 PRO 4 8.585 -4.206 -6.352 34 HD3 PRO 4 HD3 PRO 4 7.312 -3.137 -6.976 35 H SER 5 H SER 5 8.149 -6.894 -6.457 36 HA SER 5 HA SER 5 8.462 -9.362 -7.890 37 HB2 SER 5 HB2 SER 5 10.014 -9.880 -5.898 38 HB3 SER 5 HB3 SER 5 10.461 -8.539 -6.952 39 HG SER 5 HG SER 5 10.594 -7.614 -5.025 40 H GLY 6 H GLY 6 6.503 -8.268 -5.308 41 HA2 GLY 6 HA2 GLY 6 4.604 -9.652 -4.695 42 HA3 GLY 6 HA3 GLY 6 5.661 -11.052 -4.804 43 H HIS 7 H HIS 7 7.384 -8.611 -3.386 44 HA HIS 7 HA HIS 7 6.973 -9.780 -0.741 45 HB2 HIS 7 HB2 HIS 7 9.216 -8.597 -2.159 46 HB3 HIS 7 HB3 HIS 7 9.025 -7.902 -0.552 47 HD1 HIS 7 HD1 HIS 7 8.386 -11.515 -1.477 48 HD2 HIS 7 HD2 HIS 7 11.043 -9.218 0.742 49 HE1 HIS 7 HE1 HIS 7 9.819 -13.162 -0.229 50 HA PRO 8 HA PRO 8 4.675 -6.349 0.777 51 HB2 PRO 8 HB2 PRO 8 5.228 -6.588 3.425 52 HB3 PRO 8 HB3 PRO 8 4.143 -7.688 2.567 53 HG2 PRO 8 HG2 PRO 8 7.018 -8.061 3.311 54 HG3 PRO 8 HG3 PRO 8 5.676 -9.214 3.421 55 HD2 PRO 8 HD2 PRO 8 7.481 -9.270 1.404 56 HD3 PRO 8 HD3 PRO 8 5.787 -9.751 1.183 57 H LYS 9 H LYS 9 5.189 -4.267 0.629 58 HA LYS 9 HA LYS 9 7.852 -3.313 0.945 59 HB2 LYS 9 HB2 LYS 9 5.207 -2.103 0.297 60 HB3 LYS 9 HB3 LYS 9 6.489 -1.030 0.843 61 HG2 LYS 9 HG2 LYS 9 7.927 -2.097 -0.969 62 HG3 LYS 9 HG3 LYS 9 6.419 -2.763 -1.602 63 HD2 LYS 9 HD2 LYS 9 5.642 -0.238 -1.357 64 HD3 LYS 9 HD3 LYS 9 7.376 0.050 -1.520 65 HE2 LYS 9 HE2 LYS 9 7.425 -0.648 -3.681 66 HE3 LYS 9 HE3 LYS 9 6.148 -1.839 -3.439 67 HZ1 LYS 9 HZ1 LYS 9 4.780 -0.412 -4.409 68 HZ2 LYS 9 HZ2 LYS 9 5.955 0.803 -4.445 69 HZ3 LYS 9 HZ3 LYS 9 4.963 0.626 -3.086 70 H SER 10 H SER 10 4.856 -2.659 2.765 71 HA SER 10 HA SER 10 5.943 -1.069 4.757 72 HB2 SER 10 HB2 SER 10 3.684 -3.059 5.079 73 HB3 SER 10 HB3 SER 10 3.993 -1.656 6.102 74 HG SER 10 HG SER 10 2.382 -1.266 4.501 75 H ARG 11 H ARG 11 5.621 -4.600 4.655 76 HA ARG 11 HA ARG 11 6.631 -5.123 7.221 77 HB2 ARG 11 HB2 ARG 11 5.491 -6.672 5.400 78 HB3 ARG 11 HB3 ARG 11 7.163 -7.030 4.987 79 HG2 ARG 11 HG2 ARG 11 6.579 -8.701 6.492 80 HG3 ARG 11 HG3 ARG 11 7.471 -7.539 7.476 81 HD2 ARG 11 HD2 ARG 11 5.588 -8.095 8.759 82 HD3 ARG 11 HD3 ARG 11 5.204 -6.529 8.045 83 HE ARG 11 HE ARG 11 3.509 -7.519 6.862 84 HH11 ARG 11 HH11 ARG 11 5.604 -9.982 8.151 85 HH12 ARG 11 HH12 ARG 11 4.556 -11.289 7.708 86 HH21 ARG 11 HH21 ARG 11 2.121 -9.230 6.273 87 HH22 ARG 11 HH22 ARG 11 2.576 -10.860 6.639 88 H LEU 12 H LEU 12 8.227 -4.587 4.140 89 HA LEU 12 HA LEU 12 10.816 -5.410 4.981 90 HB2 LEU 12 HB2 LEU 12 9.593 -4.251 2.622 91 HB3 LEU 12 HB3 LEU 12 11.180 -3.558 2.948 92 HG LEU 12 HG LEU 12 12.158 -5.812 2.908 93 HD11 LEU 12 HD11 LEU 12 10.935 -7.741 2.380 94 HD12 LEU 12 HD12 LEU 12 9.512 -6.815 1.904 95 HD13 LEU 12 HD13 LEU 12 9.971 -6.914 3.604 96 HD21 LEU 12 HD21 LEU 12 11.771 -6.243 0.465 97 HD22 LEU 12 HD22 LEU 12 12.245 -4.592 0.869 98 HD23 LEU 12 HD23 LEU 12 10.559 -4.962 0.502 99 H ILE 13 H ILE 13 9.199 -2.264 4.765 100 HA ILE 13 HA ILE 13 11.332 -0.620 5.444 101 HB ILE 13 HB ILE 13 8.411 -0.284 6.129 102 HG12 ILE 13 HG12 ILE 13 8.954 -0.462 3.710 103 HG13 ILE 13 HG13 ILE 13 8.318 1.119 4.152 104 HG21 ILE 13 HG21 ILE 13 9.081 2.176 6.211 105 HG22 ILE 13 HG22 ILE 13 9.536 1.169 7.584 106 HG23 ILE 13 HG23 ILE 13 10.739 1.596 6.367 107 HD11 ILE 13 HD11 ILE 13 11.201 0.419 3.657 108 HD12 ILE 13 HD12 ILE 13 10.145 1.372 2.614 109 HD13 ILE 13 HD13 ILE 13 10.619 1.994 4.194 110 H LYS 14 H LYS 14 9.063 -2.346 7.546 111 HA LYS 14 HA LYS 14 10.065 -1.301 9.982 112 HB2 LYS 14 HB2 LYS 14 8.384 -3.685 9.262 113 HB3 LYS 14 HB3 LYS 14 8.937 -3.446 10.914 114 HG2 LYS 14 HG2 LYS 14 7.373 -1.397 9.364 115 HG3 LYS 14 HG3 LYS 14 6.644 -2.592 10.439 116 HD2 LYS 14 HD2 LYS 14 8.025 -1.705 12.292 117 HD3 LYS 14 HD3 LYS 14 8.639 -0.460 11.202 118 HE2 LYS 14 HE2 LYS 14 6.819 0.382 12.607 119 HE3 LYS 14 HE3 LYS 14 6.387 0.408 10.898 120 HZ1 LYS 14 HZ1 LYS 14 5.642 -1.887 12.592 121 HZ2 LYS 14 HZ2 LYS 14 4.932 -1.351 11.154 122 HZ3 LYS 14 HZ3 LYS 14 4.694 -0.485 12.587 123 H LYS 15 H LYS 15 10.740 -4.269 8.169 124 HA LYS 15 HA LYS 15 12.484 -5.438 10.039 125 HB2 LYS 15 HB2 LYS 15 11.899 -5.797 7.151 126 HB3 LYS 15 HB3 LYS 15 13.431 -6.437 7.731 127 HG2 LYS 15 HG2 LYS 15 12.011 -7.558 9.568 128 HG3 LYS 15 HG3 LYS 15 10.650 -7.224 8.495 129 HD2 LYS 15 HD2 LYS 15 12.948 -8.415 7.138 130 HD3 LYS 15 HD3 LYS 15 12.256 -9.446 8.393 131 HE2 LYS 15 HE2 LYS 15 11.204 -9.902 6.255 132 HE3 LYS 15 HE3 LYS 15 10.041 -9.182 7.367 133 HZ1 LYS 15 HZ1 LYS 15 9.786 -7.410 6.059 134 HZ2 LYS 15 HZ2 LYS 15 10.511 -8.339 4.846 135 HZ3 LYS 15 HZ3 LYS 15 11.443 -7.257 5.753 136 H PHE 16 H PHE 16 13.135 -3.370 7.223 137 HA PHE 16 HA PHE 16 15.923 -3.359 7.404 138 HB2 PHE 16 HB2 PHE 16 13.962 -1.348 6.309 139 HB3 PHE 16 HB3 PHE 16 15.703 -1.101 6.217 140 HD1 PHE 16 HD2 PHE 16 16.723 -3.739 5.587 141 HD2 PHE 16 HD1 PHE 16 13.228 -1.768 4.166 142 HE1 PHE 16 HE2 PHE 16 16.806 -5.084 3.528 143 HE2 PHE 16 HE1 PHE 16 13.304 -3.110 2.106 144 HZ PHE 16 HZ PHE 16 15.094 -4.771 1.785 145 H THR 17 H THR 17 13.503 -1.606 9.193 146 HA THR 17 HA THR 17 15.147 0.428 10.252 147 HB THR 17 HB THR 17 12.718 -0.795 11.571 148 HG1 THR 17 HG1 THR 17 11.559 0.790 10.412 149 HG21 THR 17 HG21 THR 17 14.496 1.289 12.343 150 HG22 THR 17 HG22 THR 17 13.026 0.743 13.151 151 HG23 THR 17 HG23 THR 17 12.942 2.014 11.931 152 H ALA 18 H ALA 18 14.873 -2.922 10.964 153 HA ALA 18 HA ALA 18 15.870 -2.795 13.648 154 HB1 ALA 18 HB1 ALA 18 15.527 -5.029 13.723 155 HB2 ALA 18 HB2 ALA 18 14.541 -4.690 12.300 156 HB3 ALA 18 HB3 ALA 18 16.186 -5.296 12.109 157 H LEU 19 H LEU 19 17.303 -2.302 10.681 158 HA LEU 19 HA LEU 19 19.925 -3.270 11.584 159 HB2 LEU 19 HB2 LEU 19 19.261 -2.237 8.843 160 HB3 LEU 19 HB3 LEU 19 20.639 -3.220 9.335 161 HG LEU 19 HG LEU 19 17.796 -4.218 9.353 162 HD11 LEU 19 HD11 LEU 19 17.918 -4.200 7.127 163 HD12 LEU 19 HD12 LEU 19 19.100 -5.497 7.301 164 HD13 LEU 19 HD13 LEU 19 19.642 -3.827 7.137 165 HD21 LEU 19 HD21 LEU 19 20.494 -5.456 9.759 166 HD22 LEU 19 HD22 LEU 19 19.125 -6.421 9.204 167 HD23 LEU 19 HD23 LEU 19 19.046 -5.588 10.757 168 H GLY 20 H GLY 20 18.172 -0.589 11.893 169 HA2 GLY 20 HA2 GLY 20 20.125 1.104 12.753 170 HA3 GLY 20 HA3 GLY 20 20.052 1.411 11.024 171 HA PRO 21 HA PRO 21 17.075 4.371 12.778 172 HB2 PRO 21 HB2 PRO 21 17.363 6.168 10.764 173 HB3 PRO 21 HB3 PRO 21 18.473 6.077 12.136 174 HG2 PRO 21 HG2 PRO 21 18.780 4.963 9.375 175 HG3 PRO 21 HG3 PRO 21 19.974 5.802 10.382 176 HD2 PRO 21 HD2 PRO 21 19.925 3.107 10.119 177 HD3 PRO 21 HD3 PRO 21 20.451 3.912 11.612 178 H TYR 22 H TYR 22 15.101 5.336 11.835 179 HA TYR 22 HA TYR 22 13.580 3.426 10.443 180 HB2 TYR 22 HB2 TYR 22 11.908 5.337 10.234 181 HB3 TYR 22 HB3 TYR 22 12.405 4.906 11.866 182 HD1 TYR 22 HD1 TYR 22 12.925 7.368 9.147 183 HD2 TYR 22 HD2 TYR 22 13.446 6.489 13.277 184 HE1 TYR 22 HE1 TYR 22 13.586 9.702 9.554 185 HE2 TYR 22 HE2 TYR 22 14.107 8.821 13.696 186 HH TYR 22 HH TYR 22 13.643 11.297 11.434 187 H ILE 23 H ILE 23 12.794 3.365 8.343 188 HA ILE 23 HA ILE 23 14.465 4.748 6.386 189 HB ILE 23 HB ILE 23 12.503 2.480 6.022 190 HG12 ILE 23 HG12 ILE 23 14.796 1.340 5.429 191 HG13 ILE 23 HG13 ILE 23 15.469 2.635 6.413 192 HG21 ILE 23 HG21 ILE 23 14.073 2.444 3.820 193 HG22 ILE 23 HG22 ILE 23 12.494 3.224 3.900 194 HG23 ILE 23 HG23 ILE 23 13.961 4.178 4.118 195 HD11 ILE 23 HD11 ILE 23 14.402 1.875 8.342 196 HD12 ILE 23 HD12 ILE 23 13.278 0.867 7.431 197 HD13 ILE 23 HD13 ILE 23 14.977 0.411 7.546 198 H ARG 24 H ARG 24 13.668 6.057 4.772 199 HA ARG 24 HA ARG 24 11.265 7.475 5.353 200 HB2 ARG 24 HB2 ARG 24 13.435 8.320 4.211 201 HB3 ARG 24 HB3 ARG 24 12.734 7.660 2.739 202 HG2 ARG 24 HG2 ARG 24 12.040 9.839 2.631 203 HG3 ARG 24 HG3 ARG 24 10.660 9.083 3.429 204 HD2 ARG 24 HD2 ARG 24 11.825 9.708 5.621 205 HD3 ARG 24 HD3 ARG 24 12.837 10.762 4.634 206 HE ARG 24 HE ARG 24 10.163 11.300 4.027 207 HH11 ARG 24 HH11 ARG 24 12.383 11.607 6.691 208 HH12 ARG 24 HH12 ARG 24 11.585 12.989 7.366 209 HH21 ARG 24 HH21 ARG 24 9.104 13.119 4.906 210 HH22 ARG 24 HH22 ARG 24 9.720 13.848 6.350 211 H GLU 25 H GLU 25 9.504 6.121 5.205 212 HA GLU 25 HA GLU 25 9.023 4.778 2.644 213 HB2 GLU 25 HB2 GLU 25 8.802 3.398 4.653 214 HB3 GLU 25 HB3 GLU 25 7.601 4.508 5.298 215 HG2 GLU 25 HG2 GLU 25 6.760 2.362 4.234 216 HG3 GLU 25 HG3 GLU 25 5.993 3.869 3.734 217 H GLY 26 H GLY 26 7.970 5.960 1.190 218 HA2 GLY 26 HA2 GLY 26 6.405 8.239 1.836 219 HA3 GLY 26 HA3 GLY 26 6.508 7.471 0.259 220 H GLN 27 H GLN 27 4.143 8.349 0.601 221 HA GLN 27 HA GLN 27 2.418 6.617 2.114 222 HB2 GLN 27 HB2 GLN 27 2.098 9.133 1.460 223 HB3 GLN 27 HB3 GLN 27 1.428 8.467 -0.023 224 HG2 GLN 27 HG2 GLN 27 0.451 7.686 2.708 225 HG3 GLN 27 HG3 GLN 27 -0.223 9.031 1.788 226 HE21 GLN 27 HE21 GLN 27 0.046 5.595 2.068 227 HE22 GLN 27 HE22 GLN 27 -1.144 5.193 0.882 228 H CYS 28 H CYS 28 2.455 7.399 -1.368 229 HA CYS 28 HA CYS 28 1.794 4.579 -1.905 230 HB2 CYS 28 HB2 CYS 28 0.493 5.458 -3.896 231 HB3 CYS 28 HB3 CYS 28 -0.216 5.781 -2.319 232 HG CYS 28 HG CYS 28 -0.740 8.129 -3.389 233 H GLU 29 H GLU 29 3.282 7.543 -3.126 234 HA GLU 29 HA GLU 29 4.504 6.196 -5.362 235 HB2 GLU 29 HB2 GLU 29 4.591 8.986 -4.265 236 HB3 GLU 29 HB3 GLU 29 5.774 8.475 -5.461 237 HG2 GLU 29 HG2 GLU 29 3.970 7.910 -7.007 238 HG3 GLU 29 HG3 GLU 29 2.784 8.425 -5.808 239 H ASP 30 H ASP 30 6.354 5.116 -5.326 240 HA ASP 30 HA ASP 30 8.607 5.930 -3.782 241 HB2 ASP 30 HB2 ASP 30 7.098 4.756 -2.090 242 HB3 ASP 30 HB3 ASP 30 7.432 3.272 -2.978 243 H ASN 31 H ASN 31 10.452 5.165 -4.663 244 HA ASN 31 HA ASN 31 10.176 3.091 -6.738 245 HB2 ASN 31 HB2 ASN 31 12.025 5.473 -6.568 246 HB3 ASN 31 HB3 ASN 31 12.252 4.164 -7.725 247 HD21 ASN 31 HD21 ASN 31 11.354 7.149 -7.706 248 HD22 ASN 31 HD22 ASN 31 10.036 7.146 -8.823 249 H ARG 32 H ARG 32 12.909 4.504 -4.940 250 HA ARG 32 HA ARG 32 13.808 1.762 -4.349 251 HB2 ARG 32 HB2 ARG 32 15.419 4.305 -4.630 252 HB3 ARG 32 HB3 ARG 32 16.082 2.748 -4.152 253 HG2 ARG 32 HG2 ARG 32 15.919 1.873 -6.255 254 HG3 ARG 32 HG3 ARG 32 14.566 2.915 -6.702 255 HD2 ARG 32 HD2 ARG 32 16.433 4.789 -6.375 256 HD3 ARG 32 HD3 ARG 32 17.484 3.435 -6.788 257 HE ARG 32 HE ARG 32 15.498 3.423 -8.684 258 HH11 ARG 32 HH11 ARG 32 17.902 5.686 -7.580 259 HH12 ARG 32 HH12 ARG 32 18.068 6.460 -9.121 260 HH21 ARG 32 HH21 ARG 32 15.708 4.435 -10.718 261 HH22 ARG 32 HH22 ARG 32 16.819 5.749 -10.905 262 H PHE 33 H PHE 33 14.994 1.482 -2.307 263 HA PHE 33 HA PHE 33 13.552 2.718 -0.144 264 HB2 PHE 33 HB2 PHE 33 15.644 0.563 -0.316 265 HB3 PHE 33 HB3 PHE 33 15.156 1.230 1.238 266 HD1 PHE 33 HD1 PHE 33 12.346 1.531 1.139 267 HD2 PHE 33 HD2 PHE 33 14.740 -1.517 -0.622 268 HE1 PHE 33 HE1 PHE 33 10.425 -0.006 1.196 269 HE2 PHE 33 HE2 PHE 33 12.823 -3.058 -0.569 270 HZ PHE 33 HZ PHE 33 10.662 -2.303 0.340 271 H PHE 34 H PHE 34 14.218 4.296 1.186 272 HA PHE 34 HA PHE 34 16.773 5.573 0.594 273 HB2 PHE 34 HB2 PHE 34 14.680 6.925 0.680 274 HB3 PHE 34 HB3 PHE 34 14.534 6.529 2.389 275 HD1 PHE 34 HD1 PHE 34 16.894 8.063 -0.047 276 HD2 PHE 34 HD2 PHE 34 15.479 7.925 3.965 277 HE1 PHE 34 HE1 PHE 34 18.308 9.996 0.515 278 HE2 PHE 34 HE2 PHE 34 16.891 9.859 4.533 279 HZ PHE 34 HZ PHE 34 18.309 10.896 2.807 280 H PHE 35 H PHE 35 18.309 6.082 2.185 281 HA PHE 35 HA PHE 35 17.991 4.978 4.851 282 HB2 PHE 35 HB2 PHE 35 19.996 3.937 2.859 283 HB3 PHE 35 HB3 PHE 35 20.258 3.798 4.594 284 HD1 PHE 35 HD1 PHE 35 18.243 2.748 5.926 285 HD2 PHE 35 HD2 PHE 35 18.947 2.216 1.762 286 HE1 PHE 35 HE1 PHE 35 16.894 0.691 5.964 287 HE2 PHE 35 HE2 PHE 35 17.598 0.159 1.794 288 HZ PHE 35 HZ PHE 35 16.571 -0.607 3.897 289 H ASP 36 H ASP 36 18.631 6.547 6.156 290 HA ASP 36 HA ASP 36 20.792 8.336 5.272 291 HB2 ASP 36 HB2 ASP 36 19.866 9.819 7.158 292 HB3 ASP 36 HB3 ASP 36 18.894 9.656 5.698 293 H CYS 37 H CYS 37 22.707 7.813 6.084 294 HA CYS 37 HA CYS 37 22.836 6.657 8.784 295 HB2 CYS 37 HB2 CYS 37 23.800 5.361 6.840 296 HB3 CYS 37 HB3 CYS 37 25.009 6.630 6.686 297 HG CYS 37 HG CYS 37 24.741 5.291 9.756 298 H LEU 38 H LEU 38 24.191 7.511 10.338 299 HA LEU 38 HA LEU 38 25.235 10.199 9.747 300 HB2 LEU 38 HB2 LEU 38 24.334 9.016 12.369 301 HB3 LEU 38 HB3 LEU 38 25.009 10.631 12.163 302 HG LEU 38 HG LEU 38 22.361 9.604 11.155 303 HD11 LEU 38 HD11 LEU 38 22.198 10.213 13.427 304 HD12 LEU 38 HD12 LEU 38 21.571 11.586 12.514 305 HD13 LEU 38 HD13 LEU 38 23.197 11.648 13.195 306 HD21 LEU 38 HD21 LEU 38 24.050 11.747 10.150 307 HD22 LEU 38 HD22 LEU 38 22.457 12.313 10.655 308 HD23 LEU 38 HD23 LEU 38 22.598 11.027 9.454 309 H ALA 39 H ALA 39 27.343 10.612 10.020 310 HA ALA 39 HA ALA 39 28.978 8.648 11.479 311 HB1 ALA 39 HB1 ALA 39 29.693 9.908 8.834 312 HB2 ALA 39 HB2 ALA 39 30.725 8.837 9.783 313 HB3 ALA 39 HB3 ALA 39 29.223 8.227 9.088 314 H VAL 40 H VAL 40 29.143 11.855 9.920 315 HA VAL 40 HA VAL 40 30.173 12.994 12.391 316 HB VAL 40 HB VAL 40 31.717 13.233 9.805 317 HG11 VAL 40 HG11 VAL 40 32.128 14.445 12.530 318 HG12 VAL 40 HG12 VAL 40 33.377 14.400 11.284 319 HG13 VAL 40 HG13 VAL 40 31.877 15.284 11.000 320 HG21 VAL 40 HG21 VAL 40 33.499 12.039 11.034 321 HG22 VAL 40 HG22 VAL 40 32.374 11.781 12.367 322 HG23 VAL 40 HG23 VAL 40 32.056 11.053 10.793 323 H CYS 41 H CYS 41 29.855 15.209 12.570 324 HA CYS 41 HA CYS 41 27.912 16.304 10.704 325 HB2 CYS 41 HB2 CYS 41 27.672 16.409 13.237 326 HB3 CYS 41 HB3 CYS 41 28.954 17.613 13.214 327 HG CYS 41 HG CYS 41 27.377 19.231 11.349 328 H VAL 42 H VAL 42 28.716 17.251 8.945 329 HA VAL 42 HA VAL 42 31.299 18.539 8.957 330 HB VAL 42 HB VAL 42 30.402 17.224 7.005 331 HG11 VAL 42 HG11 VAL 42 28.851 18.296 5.488 332 HG12 VAL 42 HG12 VAL 42 28.111 18.136 7.082 333 HG13 VAL 42 HG13 VAL 42 28.737 19.698 6.552 334 HG21 VAL 42 HG21 VAL 42 31.294 18.784 5.315 335 HG22 VAL 42 HG22 VAL 42 31.256 20.076 6.515 336 HG23 VAL 42 HG23 VAL 42 32.315 18.685 6.749 337 H ASN 43 H ASN 43 28.011 19.475 9.358 338 HA ASN 43 HA ASN 43 28.767 22.312 9.103 339 HB2 ASN 43 HB2 ASN 43 26.815 21.148 7.704 340 HB3 ASN 43 HB3 ASN 43 25.899 21.507 9.165 341 HD21 ASN 43 HD21 ASN 43 28.458 23.252 7.439 342 HD22 ASN 43 HD22 ASN 43 27.554 24.709 7.225 343 H VAL 44 H VAL 44 29.489 22.686 11.169 344 HA VAL 44 HA VAL 44 27.486 22.369 13.310 345 HB VAL 44 HB VAL 44 30.493 22.189 13.538 346 HG11 VAL 44 HG11 VAL 44 29.853 21.576 15.961 347 HG12 VAL 44 HG12 VAL 44 29.875 23.279 15.498 348 HG13 VAL 44 HG13 VAL 44 28.342 22.414 15.611 349 HG21 VAL 44 HG21 VAL 44 29.124 20.204 12.675 350 HG22 VAL 44 HG22 VAL 44 30.215 19.917 14.031 351 HG23 VAL 44 HG23 VAL 44 28.484 20.098 14.315 352 H LYS 45 H LYS 45 29.928 24.391 11.832 353 HA LYS 45 HA LYS 45 30.176 26.448 13.643 354 HB2 LYS 45 HB2 LYS 45 30.402 26.203 10.707 355 HB3 LYS 45 HB3 LYS 45 30.165 27.837 11.314 356 HG2 LYS 45 HG2 LYS 45 32.175 27.853 12.445 357 HG3 LYS 45 HG3 LYS 45 32.261 26.092 12.528 358 HD2 LYS 45 HD2 LYS 45 33.835 26.547 10.908 359 HD3 LYS 45 HD3 LYS 45 32.397 26.269 9.922 360 HE2 LYS 45 HE2 LYS 45 32.983 29.035 10.861 361 HE3 LYS 45 HE3 LYS 45 33.940 28.371 9.538 362 HZ1 LYS 45 HZ1 LYS 45 31.671 27.785 8.534 363 HZ2 LYS 45 HZ2 LYS 45 32.179 29.397 8.473 364 HZ3 LYS 45 HZ3 LYS 45 31.042 28.912 9.628 365 HA PRO 46 HA PRO 46 26.285 28.615 11.764 366 HB2 PRO 46 HB2 PRO 46 24.718 27.137 10.111 367 HB3 PRO 46 HB3 PRO 46 26.072 28.114 9.531 368 HG2 PRO 46 HG2 PRO 46 25.953 25.172 10.068 369 HG3 PRO 46 HG3 PRO 46 26.692 26.031 8.704 370 HD2 PRO 46 HD2 PRO 46 28.139 25.091 10.791 371 HD3 PRO 46 HD3 PRO 46 28.588 26.562 9.904 372 H ALA 47 H ALA 47 23.720 27.989 11.707 373 HA ALA 47 HA ALA 47 23.188 26.979 14.306 374 HB1 ALA 47 HB1 ALA 47 21.543 27.991 12.045 375 HB2 ALA 47 HB2 ALA 47 20.743 27.075 13.323 376 HB3 ALA 47 HB3 ALA 47 21.633 28.546 13.717 377 HA PRO 48 HA PRO 48 22.499 22.694 13.655 378 HB2 PRO 48 HB2 PRO 48 20.358 22.207 15.251 379 HB3 PRO 48 HB3 PRO 48 21.973 22.541 15.886 380 HG2 PRO 48 HG2 PRO 48 19.633 24.385 15.596 381 HG3 PRO 48 HG3 PRO 48 20.763 24.217 16.951 382 HD2 PRO 48 HD2 PRO 48 20.968 26.202 15.121 383 HD3 PRO 48 HD3 PRO 48 22.384 25.491 15.921 384 H GLU 49 H GLU 49 19.869 24.903 13.057 385 HA GLU 49 HA GLU 49 18.000 23.108 11.971 386 HB2 GLU 49 HB2 GLU 49 16.908 25.029 11.041 387 HB3 GLU 49 HB3 GLU 49 17.536 25.477 12.620 388 HG2 GLU 49 HG2 GLU 49 19.473 26.531 11.512 389 HG3 GLU 49 HG3 GLU 49 18.748 26.154 9.950 390 H LYS 50 H LYS 50 20.963 24.326 10.745 391 HA LYS 50 HA LYS 50 20.330 23.222 8.086 392 HB2 LYS 50 HB2 LYS 50 22.136 24.755 7.237 393 HB3 LYS 50 HB3 LYS 50 20.693 25.566 7.831 394 HG2 LYS 50 HG2 LYS 50 21.942 25.834 10.031 395 HG3 LYS 50 HG3 LYS 50 23.387 25.363 9.133 396 HD2 LYS 50 HD2 LYS 50 23.610 27.481 8.492 397 HD3 LYS 50 HD3 LYS 50 22.112 27.315 7.572 398 HE2 LYS 50 HE2 LYS 50 21.099 27.723 10.026 399 HE3 LYS 50 HE3 LYS 50 22.613 28.613 10.180 400 HZ1 LYS 50 HZ1 LYS 50 21.663 30.274 9.096 401 HZ2 LYS 50 HZ2 LYS 50 20.251 29.376 8.850 402 HZ3 LYS 50 HZ3 LYS 50 21.510 29.296 7.724 403 H ARG 51 H ARG 51 21.567 22.108 10.672 404 HA ARG 51 HA ARG 51 24.275 21.565 10.286 405 HB2 ARG 51 HB2 ARG 51 24.032 19.833 11.901 406 HB3 ARG 51 HB3 ARG 51 22.911 21.109 12.358 407 HG2 ARG 51 HG2 ARG 51 21.061 19.861 11.413 408 HG3 ARG 51 HG3 ARG 51 22.169 18.601 10.867 409 HD2 ARG 51 HD2 ARG 51 21.492 17.651 12.819 410 HD3 ARG 51 HD3 ARG 51 22.834 18.613 13.437 411 HE ARG 51 HE ARG 51 20.548 20.195 13.546 412 HH11 ARG 51 HH11 ARG 51 21.772 17.270 14.982 413 HH12 ARG 51 HH12 ARG 51 20.893 17.473 16.461 414 HH21 ARG 51 HH21 ARG 51 19.386 20.474 15.489 415 HH22 ARG 51 HH22 ARG 51 19.535 19.296 16.748 416 H GLU 52 H GLU 52 25.349 19.673 9.520 417 HA GLU 52 HA GLU 52 23.812 17.994 7.672 418 HB2 GLU 52 HB2 GLU 52 26.429 19.333 6.968 419 HB3 GLU 52 HB3 GLU 52 25.528 18.222 5.946 420 HG2 GLU 52 HG2 GLU 52 23.885 19.769 5.480 421 HG3 GLU 52 HG3 GLU 52 24.229 20.723 6.921 422 H PHE 53 H PHE 53 24.576 15.913 7.411 423 HA PHE 53 HA PHE 53 26.884 15.165 9.082 424 HB2 PHE 53 HB2 PHE 53 24.138 14.022 8.960 425 HB3 PHE 53 HB3 PHE 53 25.476 12.899 9.178 426 HD1 PHE 53 HD1 PHE 53 24.573 16.268 10.517 427 HD2 PHE 53 HD2 PHE 53 25.787 12.275 11.354 428 HE1 PHE 53 HE1 PHE 53 24.608 16.786 12.922 429 HE2 PHE 53 HE2 PHE 53 25.823 12.787 13.760 430 HZ PHE 53 HZ PHE 53 25.232 15.045 14.547 431 H TRP 54 H TRP 54 28.103 13.344 8.386 432 HA TRP 54 HA TRP 54 28.157 13.087 5.494 433 HB2 TRP 54 HB2 TRP 54 30.022 12.297 7.714 434 HB3 TRP 54 HB3 TRP 54 30.229 11.639 6.093 435 HD1 TRP 54 HD1 TRP 54 31.678 14.203 8.065 436 HE1 TRP 54 HE1 TRP 54 32.566 16.167 6.659 437 HE3 TRP 54 HE3 TRP 54 29.221 13.243 3.685 438 HZ2 TRP 54 HZ2 TRP 54 32.266 17.177 4.040 439 HZ3 TRP 54 HZ3 TRP 54 29.576 14.757 1.778 440 HH2 TRP 54 HH2 TRP 54 31.067 16.683 1.954 441 H GLY 55 H GLY 55 27.397 11.402 4.379 442 HA2 GLY 55 HA2 GLY 55 27.212 8.772 5.582 443 HA3 GLY 55 HA3 GLY 55 25.664 9.529 5.235 444 H TRP 56 H TRP 56 26.391 7.134 4.065 445 HA TRP 56 HA TRP 56 26.964 7.916 1.282 446 HB2 TRP 56 HB2 TRP 56 27.637 5.530 0.951 447 HB3 TRP 56 HB3 TRP 56 28.657 6.405 2.090 448 HD1 TRP 56 HD1 TRP 56 28.382 5.765 4.713 449 HE1 TRP 56 HE1 TRP 56 27.573 3.596 5.838 450 HE3 TRP 56 HE3 TRP 56 26.041 3.603 0.716 451 HZ2 TRP 56 HZ2 TRP 56 26.134 1.275 5.125 452 HZ3 TRP 56 HZ3 TRP 56 24.974 1.407 1.021 453 HH2 TRP 56 HH2 TRP 56 25.020 0.269 3.180 454 H TRP 57 H TRP 57 25.239 7.936 0.016 455 HA TRP 57 HA TRP 57 22.710 6.993 0.724 456 HB2 TRP 57 HB2 TRP 57 23.697 7.371 -2.107 457 HB3 TRP 57 HB3 TRP 57 22.039 7.493 -1.525 458 HD1 TRP 57 HD1 TRP 57 22.417 9.430 0.916 459 HE1 TRP 57 HE1 TRP 57 23.068 11.891 0.531 460 HE3 TRP 57 HE3 TRP 57 24.462 9.007 -3.750 461 HZ2 TRP 57 HZ2 TRP 57 24.287 13.446 -1.485 462 HZ3 TRP 57 HZ3 TRP 57 25.348 11.029 -4.837 463 HH2 TRP 57 HH2 TRP 57 25.260 13.202 -3.727 464 H MET 58 H MET 58 21.447 5.260 -0.156 465 HA MET 58 HA MET 58 22.964 3.030 -1.298 466 HB2 MET 58 HB2 MET 58 22.846 2.750 1.184 467 HB3 MET 58 HB3 MET 58 21.092 2.713 1.054 468 HG2 MET 58 HG2 MET 58 21.078 0.651 0.016 469 HG3 MET 58 HG3 MET 58 22.747 0.801 -0.530 470 HE1 MET 58 HE1 MET 58 21.763 -1.732 0.415 471 HE2 MET 58 HE2 MET 58 22.290 -2.282 2.006 472 HE3 MET 58 HE3 MET 58 20.759 -1.422 1.832 473 H GLU 59 H GLU 59 21.981 2.603 -3.158 474 HA GLU 59 HA GLU 59 19.040 2.739 -3.255 475 HB2 GLU 59 HB2 GLU 59 20.889 2.897 -5.631 476 HB3 GLU 59 HB3 GLU 59 19.176 3.289 -5.569 477 HG2 GLU 59 HG2 GLU 59 21.462 4.822 -4.369 478 HG3 GLU 59 HG3 GLU 59 20.368 5.332 -5.653 479 H LEU 60 H LEU 60 18.146 0.793 -3.170 480 HA LEU 60 HA LEU 60 19.311 -1.362 -4.788 481 HB2 LEU 60 HB2 LEU 60 18.772 -2.971 -2.996 482 HB3 LEU 60 HB3 LEU 60 20.020 -1.812 -2.543 483 HG LEU 60 HG LEU 60 17.788 -0.599 -1.569 484 HD11 LEU 60 HD11 LEU 60 17.354 -3.567 -1.488 485 HD12 LEU 60 HD12 LEU 60 16.234 -2.301 -1.992 486 HD13 LEU 60 HD13 LEU 60 16.651 -2.483 -0.288 487 HD21 LEU 60 HD21 LEU 60 18.644 -2.216 0.515 488 HD22 LEU 60 HD22 LEU 60 19.280 -0.629 0.082 489 HD23 LEU 60 HD23 LEU 60 20.048 -2.088 -0.544 490 H GLU 61 H GLU 61 17.781 -3.086 -5.303 491 HA GLU 61 HA GLU 61 14.961 -2.326 -5.049 492 HB2 GLU 61 HB2 GLU 61 16.039 -1.594 -7.279 493 HB3 GLU 61 HB3 GLU 61 16.049 -3.307 -7.674 494 HG2 GLU 61 HG2 GLU 61 13.513 -2.049 -6.755 495 HG3 GLU 61 HG3 GLU 61 14.067 -1.771 -8.405 496 H ALA 62 H ALA 62 14.038 -3.975 -4.034 497 HA ALA 62 HA ALA 62 15.027 -6.525 -3.701 498 HB1 ALA 62 HB1 ALA 62 12.866 -7.157 -2.907 499 HB2 ALA 62 HB2 ALA 62 13.145 -5.481 -2.432 500 HB3 ALA 62 HB3 ALA 62 12.094 -5.846 -3.800 501 H GLN 63 H GLN 63 15.497 -8.019 -5.165 502 HA GLN 63 HA GLN 63 14.310 -8.015 -7.779 503 HB2 GLN 63 HB2 GLN 63 16.531 -9.380 -6.429 504 HB3 GLN 63 HB3 GLN 63 15.696 -10.374 -7.615 505 HG2 GLN 63 HG2 GLN 63 16.944 -7.681 -8.108 506 HG3 GLN 63 HG3 GLN 63 17.578 -9.243 -8.622 507 HE21 GLN 63 HE21 GLN 63 15.581 -10.543 -9.708 508 HE22 GLN 63 HE22 GLN 63 14.877 -9.679 -11.028 509 H GLU 64 H GLU 64 13.824 -10.449 -8.593 510 HA GLU 64 HA GLU 64 11.297 -11.087 -7.617 511 HB2 GLU 64 HB2 GLU 64 13.163 -12.187 -9.558 512 HB3 GLU 64 HB3 GLU 64 12.241 -13.447 -8.750 513 HG2 GLU 64 HG2 GLU 64 10.166 -12.164 -9.329 514 HG3 GLU 64 HG3 GLU 64 11.178 -11.121 -10.327 515 H LYS 65 H LYS 65 14.206 -13.128 -7.291 516 HA LYS 65 HA LYS 65 13.207 -13.968 -4.650 517 HB2 LYS 65 HB2 LYS 65 13.501 -15.581 -6.946 518 HB3 LYS 65 HB3 LYS 65 14.822 -16.015 -5.869 519 HG2 LYS 65 HG2 LYS 65 12.188 -15.782 -4.587 520 HG3 LYS 65 HG3 LYS 65 12.350 -17.089 -5.762 521 HD2 LYS 65 HD2 LYS 65 14.141 -18.068 -4.572 522 HD3 LYS 65 HD3 LYS 65 14.359 -16.631 -3.570 523 HE2 LYS 65 HE2 LYS 65 11.919 -18.403 -3.539 524 HE3 LYS 65 HE3 LYS 65 13.246 -18.498 -2.382 525 HZ1 LYS 65 HZ1 LYS 65 12.676 -15.954 -2.134 526 HZ2 LYS 65 HZ2 LYS 65 11.849 -17.137 -1.251 527 HZ3 LYS 65 HZ3 LYS 65 11.150 -16.479 -2.644 528 H ARG 66 H ARG 66 14.997 -11.865 -5.014 529 HA ARG 66 HA ARG 66 17.138 -12.690 -3.344 530 HB2 ARG 66 HB2 ARG 66 19.010 -12.418 -4.786 531 HB3 ARG 66 HB3 ARG 66 17.903 -13.512 -5.605 532 HG2 ARG 66 HG2 ARG 66 17.094 -11.645 -6.977 533 HG3 ARG 66 HG3 ARG 66 18.247 -10.576 -6.176 534 HD2 ARG 66 HD2 ARG 66 19.342 -11.173 -8.138 535 HD3 ARG 66 HD3 ARG 66 20.024 -12.272 -6.940 536 HE ARG 66 HE ARG 66 17.967 -13.690 -7.967 537 HH11 ARG 66 HH11 ARG 66 20.634 -11.977 -9.405 538 HH12 ARG 66 HH12 ARG 66 20.736 -13.025 -10.781 539 HH21 ARG 66 HH21 ARG 66 18.090 -15.078 -9.773 540 HH22 ARG 66 HH22 ARG 66 19.288 -14.788 -10.989 541 H PHE 67 H PHE 67 18.889 -10.772 -3.378 542 HA PHE 67 HA PHE 67 17.496 -8.210 -3.673 543 HB2 PHE 67 HB2 PHE 67 18.170 -9.500 -1.171 544 HB3 PHE 67 HB3 PHE 67 18.999 -7.954 -1.321 545 HD1 PHE 67 HD2 PHE 67 17.661 -5.882 -1.702 546 HD2 PHE 67 HD1 PHE 67 15.861 -9.616 -0.734 547 HE1 PHE 67 HE2 PHE 67 15.600 -4.713 -1.042 548 HE2 PHE 67 HE1 PHE 67 13.796 -8.452 -0.073 549 HZ PHE 67 HZ PHE 67 13.664 -5.998 -0.225 550 H THR 68 H THR 68 19.002 -6.341 -3.452 551 HA THR 68 HA THR 68 21.794 -6.985 -4.050 552 HB THR 68 HB THR 68 20.601 -6.755 -6.228 553 HG1 THR 68 HG1 THR 68 22.365 -5.840 -6.994 554 HG21 THR 68 HG21 THR 68 19.582 -4.772 -6.914 555 HG22 THR 68 HG22 THR 68 20.340 -3.826 -5.633 556 HG23 THR 68 HG23 THR 68 19.035 -4.948 -5.247 557 H TYR 69 H TYR 69 23.185 -5.018 -4.028 558 HA TYR 69 HA TYR 69 22.116 -2.718 -2.616 559 HB2 TYR 69 HB2 TYR 69 23.515 -2.877 -0.705 560 HB3 TYR 69 HB3 TYR 69 22.758 -4.456 -0.880 561 HD1 TYR 69 HD1 TYR 69 24.224 -6.074 -2.517 562 HD2 TYR 69 HD2 TYR 69 25.737 -2.903 -0.117 563 HE1 TYR 69 HE1 TYR 69 26.441 -7.141 -2.515 564 HE2 TYR 69 HE2 TYR 69 27.958 -3.960 -0.110 565 HH TYR 69 HH TYR 69 28.710 -6.667 -2.143 566 H ARG 70 H ARG 70 23.338 -0.872 -2.869 567 HA ARG 70 HA ARG 70 25.730 -1.142 -4.570 568 HB2 ARG 70 HB2 ARG 70 23.595 -0.131 -5.597 569 HB3 ARG 70 HB3 ARG 70 23.926 1.265 -4.580 570 HG2 ARG 70 HG2 ARG 70 25.798 1.860 -5.765 571 HG3 ARG 70 HG3 ARG 70 26.082 0.219 -6.348 572 HD2 ARG 70 HD2 ARG 70 23.676 1.800 -7.196 573 HD3 ARG 70 HD3 ARG 70 25.225 1.963 -8.022 574 HE ARG 70 HE ARG 70 24.653 -0.748 -7.900 575 HH11 ARG 70 HH11 ARG 70 23.293 2.123 -9.323 576 HH12 ARG 70 HH12 ARG 70 22.593 1.283 -10.667 577 HH21 ARG 70 HH21 ARG 70 23.737 -1.865 -9.665 578 HH22 ARG 70 HH22 ARG 70 22.846 -0.986 -10.860 579 H TYR 71 H TYR 71 27.328 0.569 -4.351 580 HA TYR 71 HA TYR 71 27.314 1.783 -1.665 581 HB2 TYR 71 HB2 TYR 71 29.877 1.574 -1.884 582 HB3 TYR 71 HB3 TYR 71 28.957 0.120 -1.511 583 HD1 TYR 71 HD1 TYR 71 28.577 -1.586 -3.268 584 HD2 TYR 71 HD2 TYR 71 31.097 1.778 -3.927 585 HE1 TYR 71 HE1 TYR 71 29.569 -2.718 -5.213 586 HE2 TYR 71 HE2 TYR 71 32.096 0.656 -5.875 587 HH TYR 71 HH TYR 71 31.678 -1.077 -7.416 588 H GLN 72 H GLN 72 26.957 3.889 -1.945 589 HA GLN 72 HA GLN 72 28.668 5.335 -3.840 590 HB2 GLN 72 HB2 GLN 72 25.703 5.809 -3.488 591 HB3 GLN 72 HB3 GLN 72 26.782 6.771 -4.489 592 HG2 GLN 72 HG2 GLN 72 26.426 3.830 -4.935 593 HG3 GLN 72 HG3 GLN 72 25.329 5.019 -5.635 594 HE21 GLN 72 HE21 GLN 72 26.866 7.010 -6.448 595 HE22 GLN 72 HE22 GLN 72 28.031 6.485 -7.611 596 H PHE 73 H PHE 73 29.601 7.098 -3.005 597 HA PHE 73 HA PHE 73 28.937 7.823 -0.261 598 HB2 PHE 73 HB2 PHE 73 31.287 8.276 -2.058 599 HB3 PHE 73 HB3 PHE 73 31.042 9.347 -0.682 600 HD1 PHE 73 HD2 PHE 73 30.862 5.672 -1.327 601 HD2 PHE 73 HD1 PHE 73 32.275 8.819 1.167 602 HE1 PHE 73 HE2 PHE 73 31.936 4.019 0.145 603 HE2 PHE 73 HE1 PHE 73 33.352 7.171 2.642 604 HZ PHE 73 HZ PHE 73 33.184 4.767 2.132 605 H GLY 74 H GLY 74 28.582 9.995 0.400 606 HA2 GLY 74 HA2 GLY 74 28.319 12.150 -1.425 607 HA3 GLY 74 HA3 GLY 74 26.747 11.426 -1.121 608 H LEU 75 H LEU 75 25.746 12.920 0.100 609 HA LEU 75 HA LEU 75 26.852 13.425 2.751 610 HB2 LEU 75 HB2 LEU 75 27.645 15.349 1.669 611 HB3 LEU 75 HB3 LEU 75 26.161 15.537 0.736 612 HG LEU 75 HG LEU 75 25.952 15.788 3.685 613 HD11 LEU 75 HD11 LEU 75 26.998 18.064 2.021 614 HD12 LEU 75 HD12 LEU 75 28.041 17.026 2.993 615 HD13 LEU 75 HD13 LEU 75 26.789 17.994 3.771 616 HD21 LEU 75 HD21 LEU 75 24.758 17.862 2.104 617 HD22 LEU 75 HD22 LEU 75 23.984 16.646 3.121 618 HD23 LEU 75 HD23 LEU 75 24.350 16.283 1.434 619 H PHE 76 H PHE 76 25.317 13.744 4.332 620 HA PHE 76 HA PHE 76 22.558 13.195 3.511 621 HB2 PHE 76 HB2 PHE 76 23.440 11.626 5.124 622 HB3 PHE 76 HB3 PHE 76 23.938 12.938 6.188 623 HD1 PHE 76 HD1 PHE 76 20.741 12.331 4.375 624 HD2 PHE 76 HD2 PHE 76 22.708 12.754 8.127 625 HE1 PHE 76 HE1 PHE 76 18.568 12.218 5.524 626 HE2 PHE 76 HE2 PHE 76 20.538 12.640 9.281 627 HZ PHE 76 HZ PHE 76 18.464 12.371 7.979 628 H ASP 77 H ASP 77 21.213 14.852 3.377 629 HA ASP 77 HA ASP 77 21.823 17.355 4.716 630 HB2 ASP 77 HB2 ASP 77 20.825 16.895 2.275 631 HB3 ASP 77 HB3 ASP 77 19.309 17.019 3.163 632 H LYS 78 H LYS 78 19.531 18.498 5.360 633 HA LYS 78 HA LYS 78 18.718 17.055 7.719 634 HB2 LYS 78 HB2 LYS 78 17.428 19.083 8.243 635 HB3 LYS 78 HB3 LYS 78 19.100 19.458 7.847 636 HG2 LYS 78 HG2 LYS 78 18.437 20.154 5.616 637 HG3 LYS 78 HG3 LYS 78 16.760 19.731 5.970 638 HD2 LYS 78 HD2 LYS 78 18.353 21.773 7.515 639 HD3 LYS 78 HD3 LYS 78 17.277 22.168 6.173 640 HE2 LYS 78 HE2 LYS 78 16.483 20.804 8.744 641 HE3 LYS 78 HE3 LYS 78 16.169 22.487 8.327 642 HZ1 LYS 78 HZ1 LYS 78 14.229 21.667 7.603 643 HZ2 LYS 78 HZ2 LYS 78 14.810 20.085 7.458 644 HZ3 LYS 78 HZ3 LYS 78 15.106 21.211 6.231 645 H GLU 79 H GLU 79 17.407 17.764 4.569 646 HA GLU 79 HA GLU 79 14.845 16.547 5.341 647 HB2 GLU 79 HB2 GLU 79 13.820 17.679 3.567 648 HB3 GLU 79 HB3 GLU 79 14.962 18.851 4.210 649 HG2 GLU 79 HG2 GLU 79 15.619 19.112 2.103 650 HG3 GLU 79 HG3 GLU 79 16.455 17.574 2.312 651 H GLY 80 H GLY 80 17.751 15.812 3.876 652 HA2 GLY 80 HA2 GLY 80 18.269 13.625 3.119 653 HA3 GLY 80 HA3 GLY 80 16.580 13.403 2.687 654 H ASN 81 H ASN 81 18.042 16.371 1.759 655 HA ASN 81 HA ASN 81 17.591 15.854 -1.001 656 HB2 ASN 81 HB2 ASN 81 18.404 18.117 0.653 657 HB3 ASN 81 HB3 ASN 81 19.240 18.080 -0.897 658 HD21 ASN 81 HD21 ASN 81 16.740 19.423 0.568 659 HD22 ASN 81 HD22 ASN 81 15.631 19.583 -0.747 660 H TRP 82 H TRP 82 18.874 14.899 -2.430 661 HA TRP 82 HA TRP 82 21.487 13.990 -1.673 662 HB2 TRP 82 HB2 TRP 82 20.208 13.850 -4.408 663 HB3 TRP 82 HB3 TRP 82 21.520 12.850 -3.791 664 HD1 TRP 82 HD1 TRP 82 20.811 11.103 -1.754 665 HE1 TRP 82 HE1 TRP 82 18.602 9.824 -1.415 666 HE3 TRP 82 HE3 TRP 82 17.773 13.922 -4.748 667 HZ2 TRP 82 HZ2 TRP 82 15.927 9.989 -2.301 668 HZ3 TRP 82 HZ3 TRP 82 15.403 13.293 -4.948 669 HH2 TRP 82 HH2 TRP 82 14.501 11.367 -3.750 670 H THR 83 H THR 83 23.316 15.083 -1.879 671 HA THR 83 HA THR 83 23.697 16.878 -4.147 672 HB THR 83 HB THR 83 24.201 17.805 -1.313 673 HG1 THR 83 HG1 THR 83 22.127 18.248 -1.418 674 HG21 THR 83 HG21 THR 83 25.076 18.735 -3.915 675 HG22 THR 83 HG22 THR 83 25.587 19.248 -2.307 676 HG23 THR 83 HG23 THR 83 24.164 19.973 -3.053 677 H VAL 84 H VAL 84 25.448 16.017 -5.061 678 HA VAL 84 HA VAL 84 27.424 14.538 -3.683 679 HB VAL 84 HB VAL 84 28.749 14.783 -5.811 680 HG11 VAL 84 HG11 VAL 84 27.616 12.846 -5.981 681 HG12 VAL 84 HG12 VAL 84 26.082 13.581 -5.508 682 HG13 VAL 84 HG13 VAL 84 26.658 13.731 -7.169 683 HG21 VAL 84 HG21 VAL 84 26.996 16.947 -6.206 684 HG22 VAL 84 HG22 VAL 84 28.244 16.352 -7.301 685 HG23 VAL 84 HG23 VAL 84 26.593 15.745 -7.432 686 H VAL 85 H VAL 85 28.866 15.331 -2.310 687 HA VAL 85 HA VAL 85 30.161 17.895 -2.954 688 HB VAL 85 HB VAL 85 30.268 18.426 -0.551 689 HG11 VAL 85 HG11 VAL 85 28.465 19.638 -1.005 690 HG12 VAL 85 HG12 VAL 85 27.943 18.467 -2.217 691 HG13 VAL 85 HG13 VAL 85 27.455 18.272 -0.533 692 HG21 VAL 85 HG21 VAL 85 30.118 16.119 0.290 693 HG22 VAL 85 HG22 VAL 85 28.943 17.184 1.061 694 HG23 VAL 85 HG23 VAL 85 28.424 16.063 -0.198 695 HA PRO 86 HA PRO 86 33.985 15.809 -2.390 696 HB2 PRO 86 HB2 PRO 86 35.548 17.846 -1.508 697 HB3 PRO 86 HB3 PRO 86 34.995 17.714 -3.182 698 HG2 PRO 86 HG2 PRO 86 33.898 19.381 -0.950 699 HG3 PRO 86 HG3 PRO 86 34.169 19.821 -2.647 700 HD2 PRO 86 HD2 PRO 86 31.726 19.156 -1.686 701 HD3 PRO 86 HD3 PRO 86 32.227 18.801 -3.353 702 H ILE 87 H ILE 87 35.129 14.729 -0.844 703 HA ILE 87 HA ILE 87 34.270 15.128 1.925 704 HB ILE 87 HB ILE 87 35.795 12.834 0.684 705 HG12 ILE 87 HG12 ILE 87 33.446 13.027 -0.077 706 HG13 ILE 87 HG13 ILE 87 33.716 11.585 0.896 707 HG21 ILE 87 HG21 ILE 87 34.998 11.748 2.909 708 HG22 ILE 87 HG22 ILE 87 36.437 12.765 2.899 709 HG23 ILE 87 HG23 ILE 87 34.903 13.416 3.475 710 HD11 ILE 87 HD11 ILE 87 32.406 14.141 1.785 711 HD12 ILE 87 HD12 ILE 87 31.627 12.582 1.510 712 HD13 ILE 87 HD13 ILE 87 32.768 12.775 2.841 713 H ASN 88 H ASN 88 35.506 16.352 3.175 714 HA ASN 88 HA ASN 88 38.356 16.619 2.576 715 HB2 ASN 88 HB2 ASN 88 36.662 18.577 3.048 716 HB3 ASN 88 HB3 ASN 88 36.981 18.175 4.733 717 HD21 ASN 88 HD21 ASN 88 38.072 19.802 1.982 718 HD22 ASN 88 HD22 ASN 88 39.613 20.299 2.586 719 H GLU 89 H GLU 89 39.966 16.302 4.146 720 HA GLU 89 HA GLU 89 41.006 15.260 5.880 721 HB2 GLU 89 HB2 GLU 89 38.358 15.264 7.321 722 HB3 GLU 89 HB3 GLU 89 39.970 15.251 8.022 723 HG2 GLU 89 HG2 GLU 89 40.202 17.538 6.774 724 HG3 GLU 89 HG3 GLU 89 38.441 17.505 6.826 725 H THR 90 H THR 90 41.575 13.263 5.298 726 HA THR 90 HA THR 90 39.891 11.210 4.471 727 HB THR 90 HB THR 90 42.381 11.296 4.140 728 HG1 THR 90 HG1 THR 90 42.469 9.104 4.002 729 HG21 THR 90 HG21 THR 90 42.442 10.194 6.951 730 HG22 THR 90 HG22 THR 90 42.977 11.807 6.481 731 HG23 THR 90 HG23 THR 90 43.822 10.385 5.871 732 H GLU 91 H GLU 91 40.796 12.222 7.673 733 HA GLU 91 HA GLU 91 40.294 9.948 9.166 734 HB2 GLU 91 HB2 GLU 91 39.584 11.590 10.983 735 HB3 GLU 91 HB3 GLU 91 41.193 11.803 10.307 736 HG2 GLU 91 HG2 GLU 91 40.630 13.741 9.214 737 HG3 GLU 91 HG3 GLU 91 38.917 13.333 9.149 738 H VAL 92 H VAL 92 38.035 12.224 7.739 739 HA VAL 92 HA VAL 92 35.737 11.075 9.049 740 HB VAL 92 HB VAL 92 35.891 13.034 6.754 741 HG11 VAL 92 HG11 VAL 92 33.706 12.728 6.512 742 HG12 VAL 92 HG12 VAL 92 33.685 11.567 7.841 743 HG13 VAL 92 HG13 VAL 92 33.473 13.288 8.167 744 HG21 VAL 92 HG21 VAL 92 36.076 13.308 9.671 745 HG22 VAL 92 HG22 VAL 92 36.639 14.383 8.392 746 HG23 VAL 92 HG23 VAL 92 34.948 14.417 8.891 747 H VAL 93 H VAL 93 37.355 10.787 5.953 748 HA VAL 93 HA VAL 93 35.288 9.346 4.633 749 HB VAL 93 HB VAL 93 37.652 10.489 3.827 750 HG11 VAL 93 HG11 VAL 93 37.948 7.503 3.515 751 HG12 VAL 93 HG12 VAL 93 39.025 8.741 2.865 752 HG13 VAL 93 HG13 VAL 93 38.896 8.510 4.609 753 HG21 VAL 93 HG21 VAL 93 36.882 8.810 1.731 754 HG22 VAL 93 HG22 VAL 93 35.410 9.107 2.656 755 HG23 VAL 93 HG23 VAL 93 36.344 10.463 2.026 756 H GLU 94 H GLU 94 38.029 8.430 6.625 757 HA GLU 94 HA GLU 94 37.946 5.653 6.050 758 HB2 GLU 94 HB2 GLU 94 39.542 5.391 7.742 759 HB3 GLU 94 HB3 GLU 94 39.846 7.008 7.124 760 HG2 GLU 94 HG2 GLU 94 39.839 7.586 9.281 761 HG3 GLU 94 HG3 GLU 94 38.085 7.549 9.103 762 H ARG 95 H ARG 95 36.170 7.716 8.201 763 HA ARG 95 HA ARG 95 35.223 5.702 9.966 764 HB2 ARG 95 HB2 ARG 95 35.169 8.018 10.646 765 HB3 ARG 95 HB3 ARG 95 34.138 8.437 9.285 766 HG2 ARG 95 HG2 ARG 95 32.784 8.362 11.238 767 HG3 ARG 95 HG3 ARG 95 32.382 6.956 10.250 768 HD2 ARG 95 HD2 ARG 95 32.532 6.202 12.496 769 HD3 ARG 95 HD3 ARG 95 33.979 5.632 11.665 770 HE ARG 95 HE ARG 95 34.568 8.089 12.856 771 HH11 ARG 95 HH11 ARG 95 33.766 4.830 13.779 772 HH12 ARG 95 HH12 ARG 95 34.638 4.900 15.274 773 HH21 ARG 95 HH21 ARG 95 35.720 8.194 14.822 774 HH22 ARG 95 HH22 ARG 95 35.749 6.814 15.867 775 H LEU 96 H LEU 96 34.018 7.080 6.954 776 HA LEU 96 HA LEU 96 31.495 5.768 7.024 777 HB2 LEU 96 HB2 LEU 96 32.871 6.619 4.504 778 HB3 LEU 96 HB3 LEU 96 31.148 6.604 4.872 779 HG LEU 96 HG LEU 96 33.211 8.557 5.881 780 HD11 LEU 96 HD11 LEU 96 32.611 9.180 3.712 781 HD12 LEU 96 HD12 LEU 96 31.559 10.146 4.745 782 HD13 LEU 96 HD13 LEU 96 30.927 8.709 3.942 783 HD21 LEU 96 HD21 LEU 96 31.880 8.532 7.718 784 HD22 LEU 96 HD22 LEU 96 30.489 7.894 6.842 785 HD23 LEU 96 HD23 LEU 96 30.904 9.604 6.713 786 H GLU 97 H GLU 97 34.657 4.947 5.734 787 HA GLU 97 HA GLU 97 33.974 2.801 4.101 788 HB2 GLU 97 HB2 GLU 97 36.423 3.527 5.658 789 HB3 GLU 97 HB3 GLU 97 36.333 1.947 4.893 790 HG2 GLU 97 HG2 GLU 97 36.331 2.826 2.763 791 HG3 GLU 97 HG3 GLU 97 35.745 4.399 3.300 792 H TYR 98 H TYR 98 34.626 2.877 7.581 793 HA TYR 98 HA TYR 98 34.325 0.066 7.943 794 HB2 TYR 98 HB2 TYR 98 35.616 1.175 9.581 795 HB3 TYR 98 HB3 TYR 98 34.388 2.410 9.833 796 HD1 TYR 98 HD1 TYR 98 34.926 -1.263 10.209 797 HD2 TYR 98 HD2 TYR 98 32.935 2.217 11.633 798 HE1 TYR 98 HE1 TYR 98 34.019 -2.559 12.092 799 HE2 TYR 98 HE2 TYR 98 32.024 0.931 13.520 800 HH TYR 98 HH TYR 98 31.586 -1.946 13.744 801 H THR 99 H THR 99 32.195 2.857 8.365 802 HA THR 99 HA THR 99 30.021 1.516 9.522 803 HB THR 99 HB THR 99 28.652 3.405 8.839 804 HG1 THR 99 HG1 THR 99 29.192 4.666 7.197 805 HG21 THR 99 HG21 THR 99 29.632 4.448 10.549 806 HG22 THR 99 HG22 THR 99 30.771 5.156 9.404 807 HG23 THR 99 HG23 THR 99 31.165 3.643 10.220 808 H LEU 100 H LEU 100 30.734 2.245 6.117 809 HA LEU 100 HA LEU 100 28.390 0.984 5.112 810 HB2 LEU 100 HB2 LEU 100 29.183 1.487 3.002 811 HB3 LEU 100 HB3 LEU 100 29.905 2.745 4.003 812 HG LEU 100 HG LEU 100 31.928 1.032 4.052 813 HD11 LEU 100 HD11 LEU 100 31.653 -0.714 2.711 814 HD12 LEU 100 HD12 LEU 100 31.703 0.402 1.348 815 HD13 LEU 100 HD13 LEU 100 30.154 -0.054 2.057 816 HD21 LEU 100 HD21 LEU 100 32.815 2.218 2.025 817 HD22 LEU 100 HD22 LEU 100 32.185 3.270 3.292 818 HD23 LEU 100 HD23 LEU 100 31.224 2.957 1.846 819 H ARG 101 H ARG 101 31.675 -0.078 5.743 820 HA ARG 101 HA ARG 101 31.504 -2.551 4.368 821 HB2 ARG 101 HB2 ARG 101 33.639 -1.468 5.024 822 HB3 ARG 101 HB3 ARG 101 33.271 -1.818 6.708 823 HG2 ARG 101 HG2 ARG 101 33.296 -4.071 4.771 824 HG3 ARG 101 HG3 ARG 101 34.835 -3.380 5.287 825 HD2 ARG 101 HD2 ARG 101 33.769 -3.624 7.677 826 HD3 ARG 101 HD3 ARG 101 32.773 -4.835 6.872 827 HE ARG 101 HE ARG 101 35.421 -5.362 6.207 828 HH11 ARG 101 HH11 ARG 101 33.406 -5.315 9.046 829 HH12 ARG 101 HH12 ARG 101 34.313 -6.540 9.869 830 HH21 ARG 101 HH21 ARG 101 36.623 -6.976 7.281 831 HH22 ARG 101 HH22 ARG 101 36.143 -7.484 8.865 832 H GLU 102 H GLU 102 31.031 -1.646 7.769 833 HA GLU 102 HA GLU 102 30.406 -4.300 8.612 834 HB2 GLU 102 HB2 GLU 102 30.645 -1.669 9.829 835 HB3 GLU 102 HB3 GLU 102 29.285 -2.573 10.481 836 HG2 GLU 102 HG2 GLU 102 32.097 -3.627 10.317 837 HG3 GLU 102 HG3 GLU 102 31.400 -2.859 11.742 838 H PHE 103 H PHE 103 28.582 -1.620 7.347 839 HA PHE 103 HA PHE 103 26.015 -2.293 8.201 840 HB2 PHE 103 HB2 PHE 103 26.585 -0.170 7.075 841 HB3 PHE 103 HB3 PHE 103 26.815 -1.044 5.564 842 HD1 PHE 103 HD2 PHE 103 24.859 -2.154 4.484 843 HD2 PHE 103 HD1 PHE 103 24.443 0.482 7.801 844 HE1 PHE 103 HE2 PHE 103 22.472 -1.876 3.960 845 HE2 PHE 103 HE1 PHE 103 22.054 0.763 7.282 846 HZ PHE 103 HZ PHE 103 21.066 -0.416 5.359 847 H HIS 104 H HIS 104 27.945 -3.536 5.544 848 HA HIS 104 HA HIS 104 25.855 -5.008 4.299 849 HB2 HIS 104 HB2 HIS 104 27.776 -4.471 2.984 850 HB3 HIS 104 HB3 HIS 104 28.863 -5.219 4.151 851 HD1 HIS 104 HD1 HIS 104 28.990 -7.819 4.152 852 HD2 HIS 104 HD2 HIS 104 26.590 -6.211 1.166 853 HE1 HIS 104 HE1 HIS 104 28.573 -9.702 2.538 854 H GLU 105 H GLU 105 28.124 -5.684 6.875 855 HA GLU 105 HA GLU 105 27.891 -8.474 6.965 856 HB2 GLU 105 HB2 GLU 105 29.278 -6.582 8.388 857 HB3 GLU 105 HB3 GLU 105 28.123 -7.160 9.580 858 HG2 GLU 105 HG2 GLU 105 29.918 -8.555 9.918 859 HG3 GLU 105 HG3 GLU 105 28.902 -9.512 8.842 860 H LYS 106 H LYS 106 26.049 -5.962 8.676 861 HA LYS 106 HA LYS 106 24.313 -7.827 9.968 862 HB2 LYS 106 HB2 LYS 106 23.309 -5.994 10.955 863 HB3 LYS 106 HB3 LYS 106 24.912 -5.361 10.604 864 HG2 LYS 106 HG2 LYS 106 23.808 -4.566 8.382 865 HG3 LYS 106 HG3 LYS 106 22.306 -4.752 9.291 866 HD2 LYS 106 HD2 LYS 106 24.674 -3.081 10.137 867 HD3 LYS 106 HD3 LYS 106 23.185 -2.461 9.420 868 HE2 LYS 106 HE2 LYS 106 21.901 -3.248 11.307 869 HE3 LYS 106 HE3 LYS 106 23.328 -4.018 11.998 870 HZ1 LYS 106 HZ1 LYS 106 24.284 -1.960 12.490 871 HZ2 LYS 106 HZ2 LYS 106 22.661 -1.776 12.930 872 HZ3 LYS 106 HZ3 LYS 106 23.226 -1.108 11.482 873 H LEU 107 H LEU 107 24.238 -6.032 6.967 874 HA LEU 107 HA LEU 107 21.515 -6.281 6.357 875 HB2 LEU 107 HB2 LEU 107 23.656 -5.117 5.168 876 HB3 LEU 107 HB3 LEU 107 23.390 -6.494 4.101 877 HG LEU 107 HG LEU 107 22.288 -4.467 3.283 878 HD11 LEU 107 HD11 LEU 107 21.349 -6.809 2.972 879 HD12 LEU 107 HD12 LEU 107 20.240 -5.463 2.715 880 HD13 LEU 107 HD13 LEU 107 20.174 -6.385 4.217 881 HD21 LEU 107 HD21 LEU 107 20.173 -4.473 5.297 882 HD22 LEU 107 HD22 LEU 107 21.014 -3.122 4.537 883 HD23 LEU 107 HD23 LEU 107 21.741 -3.952 5.914 884 H ARG 108 H ARG 108 24.210 -8.494 5.933 885 HA ARG 108 HA ARG 108 22.960 -10.352 4.241 886 HB2 ARG 108 HB2 ARG 108 25.287 -10.394 6.092 887 HB3 ARG 108 HB3 ARG 108 24.635 -11.945 5.582 888 HG2 ARG 108 HG2 ARG 108 24.804 -10.884 3.193 889 HG3 ARG 108 HG3 ARG 108 25.987 -9.835 3.979 890 HD2 ARG 108 HD2 ARG 108 27.227 -11.808 4.731 891 HD3 ARG 108 HD3 ARG 108 26.046 -12.851 3.941 892 HE ARG 108 HE ARG 108 27.122 -11.028 2.076 893 HH11 ARG 108 HH11 ARG 108 27.964 -13.874 3.896 894 HH12 ARG 108 HH12 ARG 108 29.124 -14.431 2.737 895 HH21 ARG 108 HH21 ARG 108 28.647 -11.751 0.542 896 HH22 ARG 108 HH22 ARG 108 29.513 -13.223 0.830 897 H ASP 109 H ASP 109 23.066 -10.103 7.769 898 HA ASP 109 HA ASP 109 21.831 -12.506 8.425 899 HB2 ASP 109 HB2 ASP 109 22.881 -10.942 10.052 900 HB3 ASP 109 HB3 ASP 109 21.501 -9.865 9.862 901 H LEU 110 H LEU 110 20.362 -9.349 7.727 902 HA LEU 110 HA LEU 110 17.698 -10.076 8.180 903 HB2 LEU 110 HB2 LEU 110 18.330 -7.771 7.978 904 HB3 LEU 110 HB3 LEU 110 18.893 -8.023 6.327 905 HG LEU 110 HG LEU 110 16.542 -8.478 5.656 906 HD11 LEU 110 HD11 LEU 110 16.134 -8.654 8.417 907 HD12 LEU 110 HD12 LEU 110 14.918 -8.739 7.143 908 HD13 LEU 110 HD13 LEU 110 15.295 -7.192 7.901 909 HD21 LEU 110 HD21 LEU 110 16.719 -5.800 6.996 910 HD22 LEU 110 HD22 LEU 110 15.962 -6.223 5.460 911 HD23 LEU 110 HD23 LEU 110 17.720 -6.203 5.601 912 H LEU 111 H LEU 111 19.554 -10.023 5.142 913 HA LEU 111 HA LEU 111 17.493 -11.006 3.502 914 HB2 LEU 111 HB2 LEU 111 20.431 -10.719 3.299 915 HB3 LEU 111 HB3 LEU 111 19.667 -11.857 2.192 916 HG LEU 111 HG LEU 111 18.370 -10.132 1.187 917 HD11 LEU 111 HD11 LEU 111 18.966 -7.709 2.131 918 HD12 LEU 111 HD12 LEU 111 19.103 -8.632 3.627 919 HD13 LEU 111 HD13 LEU 111 17.594 -8.653 2.714 920 HD21 LEU 111 HD21 LEU 111 20.659 -8.427 1.214 921 HD22 LEU 111 HD22 LEU 111 20.112 -9.532 -0.047 922 HD23 LEU 111 HD23 LEU 111 21.190 -10.109 1.224 923 H ILE 112 H ILE 112 19.846 -12.608 5.537 924 HA ILE 112 HA ILE 112 19.527 -15.220 4.498 925 HB ILE 112 HB ILE 112 20.478 -14.227 7.178 926 HG12 ILE 112 HG12 ILE 112 22.143 -15.728 5.206 927 HG13 ILE 112 HG13 ILE 112 21.754 -14.047 4.860 928 HG21 ILE 112 HG21 ILE 112 21.383 -16.787 7.032 929 HG22 ILE 112 HG22 ILE 112 19.971 -16.270 7.952 930 HG23 ILE 112 HG23 ILE 112 19.771 -16.942 6.334 931 HD11 ILE 112 HD11 ILE 112 22.615 -14.175 7.544 932 HD12 ILE 112 HD12 ILE 112 23.758 -15.099 6.569 933 HD13 ILE 112 HD13 ILE 112 23.415 -13.417 6.167 934 H SER 113 H SER 113 17.835 -13.392 6.982 935 HA SER 113 HA SER 113 16.307 -15.601 7.950 936 HB2 SER 113 HB2 SER 113 16.836 -13.308 9.092 937 HB3 SER 113 HB3 SER 113 15.407 -12.750 8.222 938 HG SER 113 HG SER 113 14.272 -13.668 9.716 939 H MET 114 H MET 114 15.998 -13.381 5.318 940 HA MET 114 HA MET 114 13.194 -14.069 4.887 941 HB2 MET 114 HB2 MET 114 15.068 -12.073 3.647 942 HB3 MET 114 HB3 MET 114 13.541 -12.480 2.875 943 HG2 MET 114 HG2 MET 114 12.650 -11.962 5.340 944 HG3 MET 114 HG3 MET 114 14.078 -10.930 5.327 945 HE1 MET 114 HE1 MET 114 13.189 -7.955 3.430 946 HE2 MET 114 HE2 MET 114 13.023 -8.337 5.144 947 HE3 MET 114 HE3 MET 114 14.410 -8.940 4.236 948 H GLU 115 H GLU 115 16.198 -15.276 4.084 949 HA GLU 115 HA GLU 115 16.900 -16.896 2.649 950 HB2 GLU 115 HB2 GLU 115 14.025 -17.255 1.817 951 HB3 GLU 115 HB3 GLU 115 15.321 -18.443 1.775 952 HG2 GLU 115 HG2 GLU 115 15.367 -18.519 4.196 953 HG3 GLU 115 HG3 GLU 115 14.123 -17.273 4.276 954 H LEU 116 H LEU 116 17.026 -14.275 1.762 955 HA LEU 116 HA LEU 116 16.243 -14.425 -1.067 956 HB2 LEU 116 HB2 LEU 116 16.711 -12.191 0.837 957 HB3 LEU 116 HB3 LEU 116 17.058 -11.915 -0.868 958 HG LEU 116 HG LEU 116 14.793 -11.167 -0.088 959 HD11 LEU 116 HD11 LEU 116 13.604 -12.319 -2.034 960 HD12 LEU 116 HD12 LEU 116 15.138 -13.140 -2.321 961 HD13 LEU 116 HD13 LEU 116 15.052 -11.380 -2.402 962 HD21 LEU 116 HD21 LEU 116 14.012 -14.057 -0.152 963 HD22 LEU 116 HD22 LEU 116 13.129 -12.676 0.500 964 HD23 LEU 116 HD23 LEU 116 14.546 -13.298 1.348 965 H ALA 117 H ALA 117 17.732 -14.448 -2.660 966 HA ALA 117 HA ALA 117 20.388 -15.187 -2.098 967 HB1 ALA 117 HB1 ALA 117 18.743 -15.138 -4.343 968 HB2 ALA 117 HB2 ALA 117 20.097 -14.082 -4.748 969 HB3 ALA 117 HB3 ALA 117 20.396 -15.747 -4.249 970 H LEU 118 H LEU 118 22.355 -14.064 -2.648 971 HA LEU 118 HA LEU 118 22.122 -11.132 -2.578 972 HB2 LEU 118 HB2 LEU 118 22.711 -12.093 -0.354 973 HB3 LEU 118 HB3 LEU 118 24.176 -12.750 -1.080 974 HG LEU 118 HG LEU 118 24.853 -10.392 -1.617 975 HD11 LEU 118 HD11 LEU 118 22.291 -9.736 -1.110 976 HD12 LEU 118 HD12 LEU 118 23.633 -8.595 -1.026 977 HD13 LEU 118 HD13 LEU 118 23.027 -9.353 0.446 978 HD21 LEU 118 HD21 LEU 118 25.011 -9.917 1.050 979 HD22 LEU 118 HD22 LEU 118 26.084 -10.998 0.160 980 HD23 LEU 118 HD23 LEU 118 24.694 -11.652 1.029 981 H GLU 119 H GLU 119 23.547 -10.000 -3.828 982 HA GLU 119 HA GLU 119 25.839 -11.286 -5.023 983 HB2 GLU 119 HB2 GLU 119 24.976 -10.593 -7.364 984 HB3 GLU 119 HB3 GLU 119 24.392 -12.092 -6.657 985 HG2 GLU 119 HG2 GLU 119 22.562 -10.917 -7.666 986 HG3 GLU 119 HG3 GLU 119 22.358 -10.923 -5.915 987 HA PRO 120 HA PRO 120 27.415 -7.193 -5.079 988 HB2 PRO 120 HB2 PRO 120 29.052 -7.251 -7.244 989 HB3 PRO 120 HB3 PRO 120 29.427 -8.090 -5.734 990 HG2 PRO 120 HG2 PRO 120 28.264 -9.180 -8.268 991 HG3 PRO 120 HG3 PRO 120 29.516 -9.875 -7.222 992 HD2 PRO 120 HD2 PRO 120 26.938 -10.697 -7.150 993 HD3 PRO 120 HD3 PRO 120 27.979 -10.693 -5.712 994 H SER 121 H SER 121 27.711 -5.234 -6.486 995 HA SER 121 HA SER 121 25.278 -4.703 -7.887 996 HB2 SER 121 HB2 SER 121 26.637 -2.497 -8.415 997 HB3 SER 121 HB3 SER 121 26.018 -2.807 -6.793 998 HG SER 121 HG SER 121 28.575 -2.559 -7.630 999 H ASP 122 H ASP 122 25.070 -4.003 -10.074 1000 HA ASP 122 HA ASP 122 26.480 -5.632 -11.920 1001 HB2 ASP 122 HB2 ASP 122 24.448 -3.436 -12.185 1002 HB3 ASP 122 HB3 ASP 122 25.243 -4.092 -13.614 1003 H ASP 123 H ASP 123 27.022 -2.481 -10.658 1004 HA ASP 123 HA ASP 123 28.869 -1.783 -12.815 1005 HB2 ASP 123 HB2 ASP 123 27.646 -0.260 -10.535 1006 HB3 ASP 123 HB3 ASP 123 29.082 0.358 -11.347 1007 H PHE 124 H PHE 124 29.367 -3.951 -10.847 1008 HA PHE 124 HA PHE 124 31.736 -2.873 -9.481 1009 HB2 PHE 124 HB2 PHE 124 30.190 -3.983 -7.979 1010 HB3 PHE 124 HB3 PHE 124 30.173 -5.416 -9.001 1011 HD1 PHE 124 HD2 PHE 124 32.927 -3.296 -7.646 1012 HD2 PHE 124 HD1 PHE 124 31.170 -7.164 -7.903 1013 HE1 PHE 124 HE2 PHE 124 34.804 -4.231 -6.359 1014 HE2 PHE 124 HE1 PHE 124 33.043 -8.105 -6.616 1015 HZ PHE 124 HZ PHE 124 34.864 -6.638 -5.843 1016 H ASN 125 H ASN 125 33.482 -3.042 -10.735 1017 HA ASN 125 HA ASN 125 33.868 -5.524 -12.271 1018 HB2 ASN 125 HB2 ASN 125 34.902 -2.724 -12.726 1019 HB3 ASN 125 HB3 ASN 125 35.533 -4.126 -13.586 1020 HD21 ASN 125 HD21 ASN 125 34.490 -4.836 -15.332 1021 HD22 ASN 125 HD22 ASN 125 32.966 -4.242 -15.888 1022 H ASP 126 H ASP 126 36.106 -3.024 -11.096 1023 HA ASP 126 HA ASP 126 37.399 -4.886 -9.301 1024 HB2 ASP 126 HB2 ASP 126 38.299 -5.083 -11.802 1025 HB3 ASP 126 HB3 ASP 126 39.247 -3.684 -11.305 1026 H GLU 127 H GLU 127 39.598 -3.712 -8.557 1027 HA GLU 127 HA GLU 127 40.452 -2.015 -7.306 1028 HB2 GLU 127 HB2 GLU 127 39.280 -0.644 -9.671 1029 HB3 GLU 127 HB3 GLU 127 39.744 0.361 -8.305 1030 HG2 GLU 127 HG2 GLU 127 41.650 0.385 -9.582 1031 HG3 GLU 127 HG3 GLU 127 41.991 -0.922 -8.449 1032 HA PRO 128 HA PRO 128 36.328 -1.518 -5.179 1033 HB2 PRO 128 HB2 PRO 128 37.058 -2.819 -2.910 1034 HB3 PRO 128 HB3 PRO 128 36.389 -3.648 -4.320 1035 HG2 PRO 128 HG2 PRO 128 39.245 -3.365 -3.469 1036 HG3 PRO 128 HG3 PRO 128 38.400 -4.794 -4.093 1037 HD2 PRO 128 HD2 PRO 128 40.009 -3.261 -5.640 1038 HD3 PRO 128 HD3 PRO 128 38.583 -4.100 -6.284 1039 H VAL 129 H VAL 129 35.866 -0.252 -3.303 1040 HA VAL 129 HA VAL 129 37.509 1.953 -2.908 1041 HB VAL 129 HB VAL 129 35.154 2.046 -2.363 1042 HG11 VAL 129 HG11 VAL 129 34.125 0.438 -1.231 1043 HG12 VAL 129 HG12 VAL 129 35.675 -0.378 -1.015 1044 HG13 VAL 129 HG13 VAL 129 35.107 0.775 0.194 1045 HG21 VAL 129 HG21 VAL 129 37.014 3.367 -1.061 1046 HG22 VAL 129 HG22 VAL 129 35.323 3.473 -0.572 1047 HG23 VAL 129 HG23 VAL 129 36.430 2.417 0.305 1048 H LYS 130 H LYS 130 39.342 2.227 -1.834 1049 HA LYS 130 HA LYS 130 40.541 0.158 -0.314 1050 HB2 LYS 130 HB2 LYS 130 41.220 2.970 -1.011 1051 HB3 LYS 130 HB3 LYS 130 42.055 2.253 0.360 1052 HG2 LYS 130 HG2 LYS 130 42.871 0.453 -1.041 1053 HG3 LYS 130 HG3 LYS 130 41.974 1.094 -2.419 1054 HD2 LYS 130 HD2 LYS 130 43.895 2.882 -1.008 1055 HD3 LYS 130 HD3 LYS 130 44.534 1.632 -2.078 1056 HE2 LYS 130 HE2 LYS 130 42.762 2.568 -3.752 1057 HE3 LYS 130 HE3 LYS 130 42.827 3.998 -2.724 1058 HZ1 LYS 130 HZ1 LYS 130 44.460 4.490 -4.207 1059 HZ2 LYS 130 HZ2 LYS 130 44.882 2.875 -4.479 1060 HZ3 LYS 130 HZ3 LYS 130 45.392 3.656 -3.068 1061 H LEU 131 H LEU 131 39.396 -0.432 1.474 1062 HA LEU 131 HA LEU 131 38.260 1.459 3.290 1063 HB2 LEU 131 HB2 LEU 131 38.837 -1.466 3.733 1064 HB3 LEU 131 HB3 LEU 131 37.736 -0.457 4.669 1065 HG LEU 131 HG LEU 131 37.385 -1.374 1.818 1066 HD11 LEU 131 HD11 LEU 131 36.412 -3.118 2.788 1067 HD12 LEU 131 HD12 LEU 131 35.169 -2.012 3.373 1068 HD13 LEU 131 HD13 LEU 131 36.559 -2.392 4.389 1069 HD21 LEU 131 HD21 LEU 131 35.143 -0.238 2.061 1070 HD22 LEU 131 HD22 LEU 131 36.533 0.831 1.877 1071 HD23 LEU 131 HD23 LEU 131 35.812 0.589 3.468 1072 H SER 132 H SER 132 41.330 -0.121 2.983 1073 HA SER 132 HA SER 132 42.136 0.613 5.687 1074 HB2 SER 132 HB2 SER 132 43.935 -0.635 3.622 1075 HB3 SER 132 HB3 SER 132 44.024 -0.754 5.379 1076 HG SER 132 HG SER 132 42.269 -2.044 3.595 1077 H ALA 133 H ALA 133 41.567 2.878 4.435 1078 HA ALA 133 HA ALA 133 42.350 4.895 3.711 1079 HB1 ALA 133 HB1 ALA 133 45.049 4.351 4.799 1080 HB2 ALA 133 HB2 ALA 133 43.990 5.743 5.030 1081 HB3 ALA 133 HB3 ALA 133 43.691 4.250 5.920 Start of MODEL 19 1 H MET 1 H MET 1 3.223 0.615 -1.130 2 HA MET 1 HA MET 1 1.041 -1.237 -1.179 3 HB2 MET 1 HB2 MET 1 2.212 -0.227 -3.760 4 HB3 MET 1 HB3 MET 1 1.493 -1.828 -3.645 5 HG2 MET 1 HG2 MET 1 0.050 0.708 -2.922 6 HG3 MET 1 HG3 MET 1 -0.018 -0.045 -4.514 7 HE1 MET 1 HE1 MET 1 -0.987 -2.766 -4.755 8 HE2 MET 1 HE2 MET 1 -2.677 -2.556 -4.294 9 HE3 MET 1 HE3 MET 1 -1.841 -1.284 -5.187 10 H THR 2 H THR 2 1.911 -3.365 -2.356 11 HA THR 2 HA THR 2 4.268 -4.096 -0.892 12 HB THR 2 HB THR 2 3.931 -6.338 -1.809 13 HG1 THR 2 HG1 THR 2 2.067 -4.984 -3.464 14 HG21 THR 2 HG21 THR 2 1.190 -5.319 -1.136 15 HG22 THR 2 HG22 THR 2 2.474 -5.328 0.073 16 HG23 THR 2 HG23 THR 2 1.956 -6.839 -0.674 17 H LEU 3 H LEU 3 6.129 -5.172 -1.876 18 HA LEU 3 HA LEU 3 7.236 -3.608 -3.980 19 HB2 LEU 3 HB2 LEU 3 8.394 -6.216 -3.086 20 HB3 LEU 3 HB3 LEU 3 9.223 -4.752 -3.610 21 HG LEU 3 HG LEU 3 7.851 -5.202 -0.962 22 HD11 LEU 3 HD11 LEU 3 9.897 -6.283 -0.829 23 HD12 LEU 3 HD12 LEU 3 10.262 -4.673 -0.210 24 HD13 LEU 3 HD13 LEU 3 10.704 -5.102 -1.862 25 HD21 LEU 3 HD21 LEU 3 7.532 -2.904 -1.738 26 HD22 LEU 3 HD22 LEU 3 9.269 -2.749 -2.001 27 HD23 LEU 3 HD23 LEU 3 8.640 -2.973 -0.368 28 HA PRO 4 HA PRO 4 6.138 -5.892 -7.565 29 HB2 PRO 4 HB2 PRO 4 8.349 -5.549 -9.103 30 HB3 PRO 4 HB3 PRO 4 7.190 -4.253 -8.784 31 HG2 PRO 4 HG2 PRO 4 9.830 -4.795 -7.483 32 HG3 PRO 4 HG3 PRO 4 9.141 -3.250 -8.014 33 HD2 PRO 4 HD2 PRO 4 9.108 -4.046 -5.426 34 HD3 PRO 4 HD3 PRO 4 7.823 -3.048 -6.134 35 H SER 5 H SER 5 8.963 -6.732 -5.755 36 HA SER 5 HA SER 5 9.654 -9.066 -7.260 37 HB2 SER 5 HB2 SER 5 11.106 -9.590 -5.304 38 HB3 SER 5 HB3 SER 5 11.352 -7.957 -5.923 39 HG SER 5 HG SER 5 10.932 -8.506 -3.486 40 H GLY 6 H GLY 6 7.292 -8.333 -4.894 41 HA2 GLY 6 HA2 GLY 6 5.465 -9.907 -4.620 42 HA3 GLY 6 HA3 GLY 6 6.647 -11.205 -4.690 43 H HIS 7 H HIS 7 8.025 -8.819 -2.902 44 HA HIS 7 HA HIS 7 7.352 -10.194 -0.416 45 HB2 HIS 7 HB2 HIS 7 9.602 -8.454 -1.327 46 HB3 HIS 7 HB3 HIS 7 9.242 -8.523 0.396 47 HD1 HIS 7 HD1 HIS 7 8.596 -11.690 -1.312 48 HD2 HIS 7 HD2 HIS 7 11.830 -9.839 0.526 49 HE1 HIS 7 HE1 HIS 7 10.273 -13.519 -0.900 50 HA PRO 8 HA PRO 8 4.739 -7.014 1.119 51 HB2 PRO 8 HB2 PRO 8 5.170 -7.278 3.786 52 HB3 PRO 8 HB3 PRO 8 4.236 -8.446 2.843 53 HG2 PRO 8 HG2 PRO 8 7.090 -8.582 3.737 54 HG3 PRO 8 HG3 PRO 8 5.853 -9.853 3.745 55 HD2 PRO 8 HD2 PRO 8 7.761 -9.689 1.831 56 HD3 PRO 8 HD3 PRO 8 6.132 -10.313 1.504 57 H LYS 9 H LYS 9 5.058 -4.888 1.068 58 HA LYS 9 HA LYS 9 7.598 -3.697 1.507 59 HB2 LYS 9 HB2 LYS 9 5.685 -2.887 -0.010 60 HB3 LYS 9 HB3 LYS 9 4.987 -2.197 1.449 61 HG2 LYS 9 HG2 LYS 9 7.817 -1.554 0.843 62 HG3 LYS 9 HG3 LYS 9 6.567 -0.810 -0.157 63 HD2 LYS 9 HD2 LYS 9 6.466 -0.747 2.847 64 HD3 LYS 9 HD3 LYS 9 7.322 0.479 1.909 65 HE2 LYS 9 HE2 LYS 9 5.381 1.322 0.994 66 HE3 LYS 9 HE3 LYS 9 4.496 -0.186 1.218 67 HZ1 LYS 9 HZ1 LYS 9 4.407 2.032 2.837 68 HZ2 LYS 9 HZ2 LYS 9 5.315 0.905 3.711 69 HZ3 LYS 9 HZ3 LYS 9 3.760 0.506 3.177 70 H SER 10 H SER 10 4.548 -3.589 3.338 71 HA SER 10 HA SER 10 5.370 -1.930 5.406 72 HB2 SER 10 HB2 SER 10 3.604 -3.126 6.767 73 HB3 SER 10 HB3 SER 10 3.051 -2.493 5.216 74 HG SER 10 HG SER 10 3.140 -5.058 6.104 75 H ARG 11 H ARG 11 5.963 -5.339 4.882 76 HA ARG 11 HA ARG 11 7.005 -5.817 7.515 77 HB2 ARG 11 HB2 ARG 11 6.060 -7.442 5.552 78 HB3 ARG 11 HB3 ARG 11 7.793 -7.642 5.336 79 HG2 ARG 11 HG2 ARG 11 7.403 -9.307 6.829 80 HG3 ARG 11 HG3 ARG 11 7.723 -7.984 7.952 81 HD2 ARG 11 HD2 ARG 11 4.933 -8.475 7.015 82 HD3 ARG 11 HD3 ARG 11 5.622 -9.515 8.260 83 HE ARG 11 HE ARG 11 6.095 -6.907 9.056 84 HH11 ARG 11 HH11 ARG 11 3.343 -8.938 8.409 85 HH12 ARG 11 HH12 ARG 11 2.313 -8.127 9.543 86 HH21 ARG 11 HH21 ARG 11 4.750 -5.831 10.551 87 HH22 ARG 11 HH22 ARG 11 3.115 -6.359 10.760 88 H LEU 12 H LEU 12 8.414 -5.375 4.285 89 HA LEU 12 HA LEU 12 11.095 -5.720 4.980 90 HB2 LEU 12 HB2 LEU 12 9.610 -4.478 2.764 91 HB3 LEU 12 HB3 LEU 12 11.254 -3.887 2.994 92 HG LEU 12 HG LEU 12 11.214 -5.643 1.329 93 HD11 LEU 12 HD11 LEU 12 12.517 -7.359 3.112 94 HD12 LEU 12 HD12 LEU 12 12.740 -5.735 3.761 95 HD13 LEU 12 HD13 LEU 12 13.239 -6.100 2.109 96 HD21 LEU 12 HD21 LEU 12 10.706 -8.012 2.293 97 HD22 LEU 12 HD22 LEU 12 9.386 -6.987 1.730 98 HD23 LEU 12 HD23 LEU 12 9.726 -7.119 3.456 99 H ILE 13 H ILE 13 9.139 -2.757 4.876 100 HA ILE 13 HA ILE 13 11.148 -0.950 5.587 101 HB ILE 13 HB ILE 13 8.190 -0.818 6.178 102 HG12 ILE 13 HG12 ILE 13 8.806 -0.977 3.777 103 HG13 ILE 13 HG13 ILE 13 8.058 0.563 4.186 104 HG21 ILE 13 HG21 ILE 13 10.376 0.920 6.943 105 HG22 ILE 13 HG22 ILE 13 9.174 1.763 5.968 106 HG23 ILE 13 HG23 ILE 13 8.687 0.941 7.451 107 HD11 ILE 13 HD11 ILE 13 10.287 1.593 4.270 108 HD12 ILE 13 HD12 ILE 13 10.994 0.052 3.783 109 HD13 ILE 13 HD13 ILE 13 9.909 0.910 2.689 110 H LYS 14 H LYS 14 8.895 -2.787 7.620 111 HA LYS 14 HA LYS 14 9.780 -1.693 10.080 112 HB2 LYS 14 HB2 LYS 14 8.094 -3.997 9.244 113 HB3 LYS 14 HB3 LYS 14 8.752 -4.030 10.875 114 HG2 LYS 14 HG2 LYS 14 7.394 -1.553 9.955 115 HG3 LYS 14 HG3 LYS 14 6.406 -2.961 10.353 116 HD2 LYS 14 HD2 LYS 14 6.511 -1.905 12.395 117 HD3 LYS 14 HD3 LYS 14 7.885 -3.006 12.516 118 HE2 LYS 14 HE2 LYS 14 9.435 -1.300 12.160 119 HE3 LYS 14 HE3 LYS 14 8.228 -0.222 11.461 120 HZ1 LYS 14 HZ1 LYS 14 7.184 -0.156 13.713 121 HZ2 LYS 14 HZ2 LYS 14 8.711 0.567 13.622 122 HZ3 LYS 14 HZ3 LYS 14 8.542 -0.969 14.313 123 H LYS 15 H LYS 15 10.664 -4.591 8.259 124 HA LYS 15 HA LYS 15 12.375 -5.711 10.201 125 HB2 LYS 15 HB2 LYS 15 11.897 -6.088 7.297 126 HB3 LYS 15 HB3 LYS 15 13.439 -6.660 7.921 127 HG2 LYS 15 HG2 LYS 15 12.162 -7.954 9.642 128 HG3 LYS 15 HG3 LYS 15 10.685 -7.508 8.783 129 HD2 LYS 15 HD2 LYS 15 11.788 -8.503 6.710 130 HD3 LYS 15 HD3 LYS 15 12.973 -9.203 7.816 131 HE2 LYS 15 HE2 LYS 15 10.001 -9.689 7.752 132 HE3 LYS 15 HE3 LYS 15 11.287 -10.845 7.408 133 HZ1 LYS 15 HZ1 LYS 15 10.790 -11.397 9.546 134 HZ2 LYS 15 HZ2 LYS 15 10.345 -9.826 9.987 135 HZ3 LYS 15 HZ3 LYS 15 11.980 -10.232 9.842 136 H PHE 16 H PHE 16 13.072 -3.678 7.364 137 HA PHE 16 HA PHE 16 15.842 -3.532 7.698 138 HB2 PHE 16 HB2 PHE 16 13.864 -1.643 6.428 139 HB3 PHE 16 HB3 PHE 16 15.597 -1.334 6.413 140 HD1 PHE 16 HD2 PHE 16 16.709 -3.991 5.957 141 HD2 PHE 16 HD1 PHE 16 13.285 -2.129 4.246 142 HE1 PHE 16 HE2 PHE 16 16.944 -5.404 3.956 143 HE2 PHE 16 HE1 PHE 16 13.514 -3.540 2.244 144 HZ PHE 16 HZ PHE 16 15.345 -5.179 2.096 145 H THR 17 H THR 17 13.251 -1.840 9.293 146 HA THR 17 HA THR 17 14.685 0.331 10.345 147 HB THR 17 HB THR 17 12.302 -1.105 11.531 148 HG1 THR 17 HG1 THR 17 11.111 0.434 10.421 149 HG21 THR 17 HG21 THR 17 12.947 0.170 13.316 150 HG22 THR 17 HG22 THR 17 12.029 1.384 12.426 151 HG23 THR 17 HG23 THR 17 13.788 1.349 12.310 152 H ALA 18 H ALA 18 14.702 -3.009 11.161 153 HA ALA 18 HA ALA 18 15.702 -2.659 13.840 154 HB1 ALA 18 HB1 ALA 18 15.445 -4.893 14.079 155 HB2 ALA 18 HB2 ALA 18 14.415 -4.691 12.662 156 HB3 ALA 18 HB3 ALA 18 16.076 -5.250 12.471 157 H LEU 19 H LEU 19 17.047 -2.343 10.803 158 HA LEU 19 HA LEU 19 19.726 -3.132 11.717 159 HB2 LEU 19 HB2 LEU 19 18.890 -2.401 8.920 160 HB3 LEU 19 HB3 LEU 19 20.390 -3.176 9.425 161 HG LEU 19 HG LEU 19 17.639 -4.415 9.502 162 HD11 LEU 19 HD11 LEU 19 19.041 -5.974 7.860 163 HD12 LEU 19 HD12 LEU 19 19.861 -4.445 7.546 164 HD13 LEU 19 HD13 LEU 19 18.121 -4.580 7.293 165 HD21 LEU 19 HD21 LEU 19 20.322 -5.327 10.463 166 HD22 LEU 19 HD22 LEU 19 19.129 -6.498 9.900 167 HD23 LEU 19 HD23 LEU 19 18.751 -5.436 11.258 168 H GLY 20 H GLY 20 17.863 -0.501 11.817 169 HA2 GLY 20 HA2 GLY 20 19.827 1.323 12.438 170 HA3 GLY 20 HA3 GLY 20 19.573 1.506 10.709 171 HA PRO 21 HA PRO 21 16.628 4.410 12.661 172 HB2 PRO 21 HB2 PRO 21 16.771 6.230 10.651 173 HB3 PRO 21 HB3 PRO 21 17.940 6.167 11.976 174 HG2 PRO 21 HG2 PRO 21 18.169 5.083 9.195 175 HG3 PRO 21 HG3 PRO 21 19.375 5.955 10.158 176 HD2 PRO 21 HD2 PRO 21 19.407 3.262 9.875 177 HD3 PRO 21 HD3 PRO 21 19.966 4.074 11.352 178 H TYR 22 H TYR 22 14.595 5.340 11.782 179 HA TYR 22 HA TYR 22 13.065 3.385 10.467 180 HB2 TYR 22 HB2 TYR 22 12.555 6.286 11.100 181 HB3 TYR 22 HB3 TYR 22 11.361 5.290 10.277 182 HD1 TYR 22 HD1 TYR 22 13.325 5.597 13.408 183 HD2 TYR 22 HD2 TYR 22 9.965 3.828 11.488 184 HE1 TYR 22 HE1 TYR 22 12.524 4.772 15.582 185 HE2 TYR 22 HE2 TYR 22 9.154 3.000 13.657 186 HH TYR 22 HH TYR 22 10.328 4.097 16.598 187 H ILE 23 H ILE 23 12.866 2.907 8.388 188 HA ILE 23 HA ILE 23 14.208 4.444 6.380 189 HB ILE 23 HB ILE 23 12.380 2.053 6.130 190 HG12 ILE 23 HG12 ILE 23 14.734 1.063 5.483 191 HG13 ILE 23 HG13 ILE 23 15.337 2.427 6.419 192 HG21 ILE 23 HG21 ILE 23 13.532 3.821 4.127 193 HG22 ILE 23 HG22 ILE 23 13.966 2.130 3.884 194 HG23 ILE 23 HG23 ILE 23 12.269 2.601 3.969 195 HD11 ILE 23 HD11 ILE 23 14.348 1.644 8.392 196 HD12 ILE 23 HD12 ILE 23 13.324 0.500 7.523 197 HD13 ILE 23 HD13 ILE 23 15.062 0.223 7.630 198 H ARG 24 H ARG 24 13.399 5.860 4.938 199 HA ARG 24 HA ARG 24 10.733 6.866 5.370 200 HB2 ARG 24 HB2 ARG 24 12.894 8.198 4.803 201 HB3 ARG 24 HB3 ARG 24 12.536 7.752 3.140 202 HG2 ARG 24 HG2 ARG 24 11.499 9.780 3.262 203 HG3 ARG 24 HG3 ARG 24 10.168 8.717 3.725 204 HD2 ARG 24 HD2 ARG 24 11.954 9.764 5.861 205 HD3 ARG 24 HD3 ARG 24 10.785 10.865 5.134 206 HE ARG 24 HE ARG 24 9.405 8.556 5.797 207 HH11 ARG 24 HH11 ARG 24 11.195 11.051 7.439 208 HH12 ARG 24 HH12 ARG 24 10.278 10.925 8.903 209 HH21 ARG 24 HH21 ARG 24 8.192 8.381 7.720 210 HH22 ARG 24 HH22 ARG 24 8.571 9.406 9.063 211 H GLU 25 H GLU 25 9.285 5.322 4.674 212 HA GLU 25 HA GLU 25 9.505 4.054 2.117 213 HB2 GLU 25 HB2 GLU 25 7.260 3.164 2.617 214 HB3 GLU 25 HB3 GLU 25 8.385 2.915 3.945 215 HG2 GLU 25 HG2 GLU 25 6.605 3.647 5.129 216 HG3 GLU 25 HG3 GLU 25 7.342 5.207 4.764 217 H GLY 26 H GLY 26 7.686 4.176 0.508 218 HA2 GLY 26 HA2 GLY 26 7.132 7.005 -0.031 219 HA3 GLY 26 HA3 GLY 26 7.082 5.702 -1.209 220 H GLN 27 H GLN 27 5.020 6.720 -1.800 221 HA GLN 27 HA GLN 27 2.845 5.695 -0.104 222 HB2 GLN 27 HB2 GLN 27 3.101 8.381 -1.423 223 HB3 GLN 27 HB3 GLN 27 1.518 7.700 -1.069 224 HG2 GLN 27 HG2 GLN 27 2.081 7.575 1.291 225 HG3 GLN 27 HG3 GLN 27 3.689 8.212 0.952 226 HE21 GLN 27 HE21 GLN 27 3.723 10.360 -0.142 227 HE22 GLN 27 HE22 GLN 27 2.558 11.530 0.365 228 H CYS 28 H CYS 28 2.929 3.829 -1.501 229 HA CYS 28 HA CYS 28 2.241 2.549 -3.250 230 HB2 CYS 28 HB2 CYS 28 0.344 4.840 -3.792 231 HB3 CYS 28 HB3 CYS 28 0.156 3.173 -4.324 232 HG CYS 28 HG CYS 28 -1.163 4.476 -1.757 233 H GLU 29 H GLU 29 4.394 4.510 -3.671 234 HA GLU 29 HA GLU 29 4.140 4.838 -6.589 235 HB2 GLU 29 HB2 GLU 29 4.364 6.919 -5.016 236 HB3 GLU 29 HB3 GLU 29 6.059 6.459 -4.956 237 HG2 GLU 29 HG2 GLU 29 4.697 6.755 -7.592 238 HG3 GLU 29 HG3 GLU 29 5.236 8.183 -6.712 239 H ASP 30 H ASP 30 5.711 4.017 -7.871 240 HA ASP 30 HA ASP 30 7.441 2.036 -6.820 241 HB2 ASP 30 HB2 ASP 30 7.452 3.333 -9.554 242 HB3 ASP 30 HB3 ASP 30 8.289 1.845 -9.122 243 H ASN 31 H ASN 31 9.353 2.274 -5.888 244 HA ASN 31 HA ASN 31 11.400 3.946 -6.871 245 HB2 ASN 31 HB2 ASN 31 11.545 5.610 -5.117 246 HB3 ASN 31 HB3 ASN 31 9.951 5.701 -5.860 247 HD21 ASN 31 HD21 ASN 31 11.751 4.837 -3.026 248 HD22 ASN 31 HD22 ASN 31 10.398 4.683 -1.964 249 H ARG 32 H ARG 32 13.193 4.174 -5.066 250 HA ARG 32 HA ARG 32 13.486 1.494 -3.925 251 HB2 ARG 32 HB2 ARG 32 15.623 3.611 -4.142 252 HB3 ARG 32 HB3 ARG 32 15.835 1.881 -3.905 253 HG2 ARG 32 HG2 ARG 32 14.806 3.223 -6.397 254 HG3 ARG 32 HG3 ARG 32 16.406 2.513 -6.170 255 HD2 ARG 32 HD2 ARG 32 15.431 0.317 -5.894 256 HD3 ARG 32 HD3 ARG 32 13.806 0.996 -5.986 257 HE ARG 32 HE ARG 32 13.985 0.972 -8.259 258 HH11 ARG 32 HH11 ARG 32 17.182 0.817 -6.890 259 HH12 ARG 32 HH12 ARG 32 17.966 0.587 -8.417 260 HH21 ARG 32 HH21 ARG 32 15.006 0.670 -10.276 261 HH22 ARG 32 HH22 ARG 32 16.728 0.504 -10.343 262 H PHE 33 H PHE 33 14.321 1.211 -1.783 263 HA PHE 33 HA PHE 33 13.022 2.766 0.157 264 HB2 PHE 33 HB2 PHE 33 15.301 0.797 0.413 265 HB3 PHE 33 HB3 PHE 33 14.454 1.499 1.788 266 HD1 PHE 33 HD1 PHE 33 11.723 1.367 1.323 267 HD2 PHE 33 HD2 PHE 33 14.703 -1.365 -0.008 268 HE1 PHE 33 HE1 PHE 33 10.027 -0.410 1.185 269 HE2 PHE 33 HE2 PHE 33 13.011 -3.146 -0.149 270 HZ PHE 33 HZ PHE 33 10.670 -2.670 0.449 271 H PHE 34 H PHE 34 13.951 4.053 1.866 272 HA PHE 34 HA PHE 34 16.337 5.533 0.975 273 HB2 PHE 34 HB2 PHE 34 14.100 6.755 1.038 274 HB3 PHE 34 HB3 PHE 34 14.184 6.613 2.790 275 HD1 PHE 34 HD1 PHE 34 16.839 7.363 0.293 276 HD2 PHE 34 HD2 PHE 34 14.549 8.741 3.606 277 HE1 PHE 34 HE1 PHE 34 18.210 9.404 0.388 278 HE2 PHE 34 HE2 PHE 34 15.915 10.784 3.705 279 HZ PHE 34 HZ PHE 34 17.748 11.118 2.094 280 H PHE 35 H PHE 35 18.070 5.483 2.243 281 HA PHE 35 HA PHE 35 17.720 4.785 5.081 282 HB2 PHE 35 HB2 PHE 35 19.653 3.644 3.081 283 HB3 PHE 35 HB3 PHE 35 20.016 3.624 4.803 284 HD1 PHE 35 HD2 PHE 35 17.360 2.643 2.387 285 HD2 PHE 35 HD1 PHE 35 19.294 1.855 6.096 286 HE1 PHE 35 HE2 PHE 35 16.036 0.584 2.636 287 HE2 PHE 35 HE1 PHE 35 17.975 -0.206 6.351 288 HZ PHE 35 HZ PHE 35 16.344 -0.844 4.619 289 H ASP 36 H ASP 36 18.476 6.314 6.372 290 HA ASP 36 HA ASP 36 20.525 8.153 5.335 291 HB2 ASP 36 HB2 ASP 36 19.731 9.663 7.199 292 HB3 ASP 36 HB3 ASP 36 18.550 9.353 5.929 293 H CYS 37 H CYS 37 22.507 7.650 5.985 294 HA CYS 37 HA CYS 37 22.871 6.503 8.668 295 HB2 CYS 37 HB2 CYS 37 25.083 5.741 7.815 296 HB3 CYS 37 HB3 CYS 37 23.725 5.066 6.925 297 HG CYS 37 HG CYS 37 24.021 6.679 4.704 298 H LEU 38 H LEU 38 23.845 7.664 10.195 299 HA LEU 38 HA LEU 38 25.220 10.138 9.387 300 HB2 LEU 38 HB2 LEU 38 23.894 9.471 12.011 301 HB3 LEU 38 HB3 LEU 38 24.681 10.997 11.611 302 HG LEU 38 HG LEU 38 22.115 9.894 10.481 303 HD11 LEU 38 HD11 LEU 38 21.520 10.952 12.420 304 HD12 LEU 38 HD12 LEU 38 21.472 12.309 11.295 305 HD13 LEU 38 HD13 LEU 38 22.869 12.086 12.348 306 HD21 LEU 38 HD21 LEU 38 23.107 10.840 8.595 307 HD22 LEU 38 HD22 LEU 38 23.871 12.130 9.525 308 HD23 LEU 38 HD23 LEU 38 22.128 12.151 9.253 309 H ALA 39 H ALA 39 27.344 9.730 9.323 310 HA ALA 39 HA ALA 39 28.549 8.078 11.425 311 HB1 ALA 39 HB1 ALA 39 29.495 8.937 8.708 312 HB2 ALA 39 HB2 ALA 39 30.590 8.239 9.902 313 HB3 ALA 39 HB3 ALA 39 29.215 7.305 9.314 314 H VAL 40 H VAL 40 29.223 11.129 9.699 315 HA VAL 40 HA VAL 40 30.148 12.291 12.221 316 HB VAL 40 HB VAL 40 31.768 12.526 9.684 317 HG11 VAL 40 HG11 VAL 40 32.294 14.411 10.876 318 HG12 VAL 40 HG12 VAL 40 31.979 13.647 12.435 319 HG13 VAL 40 HG13 VAL 40 33.460 13.275 11.552 320 HG21 VAL 40 HG21 VAL 40 33.445 11.162 11.064 321 HG22 VAL 40 HG22 VAL 40 32.055 10.692 12.042 322 HG23 VAL 40 HG23 VAL 40 32.096 10.301 10.323 323 H CYS 41 H CYS 41 30.036 14.558 12.311 324 HA CYS 41 HA CYS 41 28.136 15.701 10.425 325 HB2 CYS 41 HB2 CYS 41 27.994 17.562 12.042 326 HB3 CYS 41 HB3 CYS 41 27.685 16.004 12.799 327 HG CYS 41 HG CYS 41 29.417 16.283 14.663 328 H VAL 42 H VAL 42 28.586 17.261 8.976 329 HA VAL 42 HA VAL 42 31.357 17.871 8.455 330 HB VAL 42 HB VAL 42 29.919 17.429 6.563 331 HG11 VAL 42 HG11 VAL 42 28.069 19.040 7.998 332 HG12 VAL 42 HG12 VAL 42 28.331 19.773 6.414 333 HG13 VAL 42 HG13 VAL 42 27.802 18.094 6.535 334 HG21 VAL 42 HG21 VAL 42 31.733 19.377 6.658 335 HG22 VAL 42 HG22 VAL 42 30.807 19.019 5.200 336 HG23 VAL 42 HG23 VAL 42 30.319 20.350 6.250 337 H ASN 43 H ASN 43 28.618 19.445 9.901 338 HA ASN 43 HA ASN 43 30.178 21.473 11.074 339 HB2 ASN 43 HB2 ASN 43 29.872 22.132 8.518 340 HB3 ASN 43 HB3 ASN 43 28.317 22.718 9.102 341 HD21 ASN 43 HD21 ASN 43 29.277 24.769 8.345 342 HD22 ASN 43 HD22 ASN 43 30.241 25.671 9.460 343 H VAL 44 H VAL 44 29.170 21.788 12.936 344 HA VAL 44 HA VAL 44 26.224 21.866 12.953 345 HB VAL 44 HB VAL 44 27.874 20.801 15.239 346 HG11 VAL 44 HG11 VAL 44 24.954 20.895 14.571 347 HG12 VAL 44 HG12 VAL 44 25.593 19.697 15.698 348 HG13 VAL 44 HG13 VAL 44 25.776 21.417 16.041 349 HG21 VAL 44 HG21 VAL 44 28.271 19.370 13.314 350 HG22 VAL 44 HG22 VAL 44 27.250 18.546 14.493 351 HG23 VAL 44 HG23 VAL 44 26.534 19.234 13.035 352 H LYS 45 H LYS 45 28.958 23.614 13.395 353 HA LYS 45 HA LYS 45 28.463 25.009 15.803 354 HB2 LYS 45 HB2 LYS 45 29.834 26.314 13.485 355 HB3 LYS 45 HB3 LYS 45 30.220 26.400 15.198 356 HG2 LYS 45 HG2 LYS 45 30.682 23.800 14.789 357 HG3 LYS 45 HG3 LYS 45 31.018 24.411 13.168 358 HD2 LYS 45 HD2 LYS 45 32.617 26.008 14.094 359 HD3 LYS 45 HD3 LYS 45 32.266 25.425 15.723 360 HE2 LYS 45 HE2 LYS 45 33.074 23.194 15.075 361 HE3 LYS 45 HE3 LYS 45 33.459 23.812 13.469 362 HZ1 LYS 45 HZ1 LYS 45 34.623 25.408 15.525 363 HZ2 LYS 45 HZ2 LYS 45 35.362 24.650 14.206 364 HZ3 LYS 45 HZ3 LYS 45 35.118 23.794 15.645 365 HA PRO 46 HA PRO 46 26.374 28.310 12.930 366 HB2 PRO 46 HB2 PRO 46 25.622 27.459 10.464 367 HB3 PRO 46 HB3 PRO 46 27.204 28.175 10.791 368 HG2 PRO 46 HG2 PRO 46 26.446 25.290 10.539 369 HG3 PRO 46 HG3 PRO 46 27.861 26.136 9.886 370 HD2 PRO 46 HD2 PRO 46 27.974 24.623 12.128 371 HD3 PRO 46 HD3 PRO 46 28.989 26.061 11.894 372 H ALA 47 H ALA 47 24.088 28.487 11.887 373 HA ALA 47 HA ALA 47 22.220 27.351 13.566 374 HB1 ALA 47 HB1 ALA 47 21.313 29.126 12.485 375 HB2 ALA 47 HB2 ALA 47 22.095 28.735 10.953 376 HB3 ALA 47 HB3 ALA 47 20.658 27.847 11.461 377 HA PRO 48 HA PRO 48 21.401 23.256 12.221 378 HB2 PRO 48 HB2 PRO 48 18.705 23.086 12.486 379 HB3 PRO 48 HB3 PRO 48 19.805 23.137 13.869 380 HG2 PRO 48 HG2 PRO 48 18.192 25.344 12.648 381 HG3 PRO 48 HG3 PRO 48 18.450 24.962 14.361 382 HD2 PRO 48 HD2 PRO 48 19.805 26.930 13.087 383 HD3 PRO 48 HD3 PRO 48 20.518 25.979 14.406 384 H GLU 49 H GLU 49 19.723 25.873 10.636 385 HA GLU 49 HA GLU 49 18.475 24.410 8.578 386 HB2 GLU 49 HB2 GLU 49 18.271 26.532 7.417 387 HB3 GLU 49 HB3 GLU 49 17.919 26.751 9.126 388 HG2 GLU 49 HG2 GLU 49 20.479 27.368 9.221 389 HG3 GLU 49 HG3 GLU 49 20.210 27.735 7.518 390 H LYS 50 H LYS 50 21.751 25.403 9.074 391 HA LYS 50 HA LYS 50 22.445 24.529 6.348 392 HB2 LYS 50 HB2 LYS 50 23.903 26.370 8.249 393 HB3 LYS 50 HB3 LYS 50 24.593 25.776 6.744 394 HG2 LYS 50 HG2 LYS 50 23.202 27.057 5.439 395 HG3 LYS 50 HG3 LYS 50 21.961 27.173 6.689 396 HD2 LYS 50 HD2 LYS 50 23.540 28.595 8.009 397 HD3 LYS 50 HD3 LYS 50 24.621 28.591 6.613 398 HE2 LYS 50 HE2 LYS 50 22.671 29.494 5.275 399 HE3 LYS 50 HE3 LYS 50 21.847 29.742 6.814 400 HZ1 LYS 50 HZ1 LYS 50 24.435 30.826 6.971 401 HZ2 LYS 50 HZ2 LYS 50 22.949 31.626 7.080 402 HZ3 LYS 50 HZ3 LYS 50 23.689 31.420 5.573 403 H ARG 51 H ARG 51 22.053 23.034 9.012 404 HA ARG 51 HA ARG 51 24.697 21.911 9.444 405 HB2 ARG 51 HB2 ARG 51 23.244 22.311 11.375 406 HB3 ARG 51 HB3 ARG 51 22.031 21.233 10.698 407 HG2 ARG 51 HG2 ARG 51 23.840 19.433 10.780 408 HG3 ARG 51 HG3 ARG 51 24.720 20.549 11.826 409 HD2 ARG 51 HD2 ARG 51 21.983 19.379 12.303 410 HD3 ARG 51 HD3 ARG 51 23.463 19.017 13.191 411 HE ARG 51 HE ARG 51 22.805 21.791 13.288 412 HH11 ARG 51 HH11 ARG 51 22.063 18.681 14.667 413 HH12 ARG 51 HH12 ARG 51 21.517 19.335 16.176 414 HH21 ARG 51 HH21 ARG 51 22.089 22.663 15.271 415 HH22 ARG 51 HH22 ARG 51 21.532 21.600 16.518 416 H GLU 52 H GLU 52 25.437 20.100 8.540 417 HA GLU 52 HA GLU 52 23.530 18.196 7.382 418 HB2 GLU 52 HB2 GLU 52 26.030 19.021 5.914 419 HB3 GLU 52 HB3 GLU 52 24.687 18.059 5.312 420 HG2 GLU 52 HG2 GLU 52 23.241 19.983 5.324 421 HG3 GLU 52 HG3 GLU 52 24.500 20.965 6.068 422 H PHE 53 H PHE 53 24.566 16.093 6.847 423 HA PHE 53 HA PHE 53 26.913 15.542 8.531 424 HB2 PHE 53 HB2 PHE 53 24.542 13.684 8.327 425 HB3 PHE 53 HB3 PHE 53 25.917 13.558 9.420 426 HD1 PHE 53 HD2 PHE 53 26.192 16.108 10.634 427 HD2 PHE 53 HD1 PHE 53 22.623 14.077 9.514 428 HE1 PHE 53 HE2 PHE 53 24.946 17.360 12.346 429 HE2 PHE 53 HE1 PHE 53 21.371 15.326 11.224 430 HZ PHE 53 HZ PHE 53 22.532 16.971 12.642 431 H TRP 54 H TRP 54 27.897 13.379 8.013 432 HA TRP 54 HA TRP 54 28.089 13.133 5.118 433 HB2 TRP 54 HB2 TRP 54 29.754 12.124 7.415 434 HB3 TRP 54 HB3 TRP 54 29.989 11.519 5.777 435 HD1 TRP 54 HD1 TRP 54 31.529 13.874 7.947 436 HE1 TRP 54 HE1 TRP 54 32.677 15.796 6.677 437 HE3 TRP 54 HE3 TRP 54 29.297 13.279 3.386 438 HZ2 TRP 54 HZ2 TRP 54 32.640 16.913 4.085 439 HZ3 TRP 54 HZ3 TRP 54 29.908 14.817 1.565 440 HH2 TRP 54 HH2 TRP 54 31.545 16.595 1.909 441 H GLY 55 H GLY 55 28.148 10.994 4.103 442 HA2 GLY 55 HA2 GLY 55 27.425 8.586 5.174 443 HA3 GLY 55 HA3 GLY 55 25.896 9.420 4.939 444 H TRP 56 H TRP 56 26.888 6.995 3.653 445 HA TRP 56 HA TRP 56 27.180 7.894 0.872 446 HB2 TRP 56 HB2 TRP 56 27.776 5.476 0.447 447 HB3 TRP 56 HB3 TRP 56 28.902 6.356 1.478 448 HD1 TRP 56 HD1 TRP 56 28.965 5.684 4.081 449 HE1 TRP 56 HE1 TRP 56 28.230 3.543 5.307 450 HE3 TRP 56 HE3 TRP 56 26.042 3.621 0.429 451 HZ2 TRP 56 HZ2 TRP 56 26.624 1.279 4.793 452 HZ3 TRP 56 HZ3 TRP 56 24.942 1.465 0.876 453 HH2 TRP 56 HH2 TRP 56 25.229 0.320 3.013 454 H TRP 57 H TRP 57 25.439 7.903 -0.373 455 HA TRP 57 HA TRP 57 22.908 7.073 0.394 456 HB2 TRP 57 HB2 TRP 57 23.893 7.255 -2.459 457 HB3 TRP 57 HB3 TRP 57 22.233 7.424 -1.896 458 HD1 TRP 57 HD1 TRP 57 23.227 9.391 0.620 459 HE1 TRP 57 HE1 TRP 57 23.666 11.858 0.033 460 HE3 TRP 57 HE3 TRP 57 23.836 8.929 -4.435 461 HZ2 TRP 57 HZ2 TRP 57 24.199 13.404 -2.267 462 HZ3 TRP 57 HZ3 TRP 57 24.307 10.950 -5.756 463 HH2 TRP 57 HH2 TRP 57 24.484 13.141 -4.693 464 H MET 58 H MET 58 21.783 5.210 0.295 465 HA MET 58 HA MET 58 23.099 2.896 -0.971 466 HB2 MET 58 HB2 MET 58 23.134 2.832 1.525 467 HB3 MET 58 HB3 MET 58 21.376 2.841 1.512 468 HG2 MET 58 HG2 MET 58 22.201 0.764 -0.203 469 HG3 MET 58 HG3 MET 58 23.165 0.641 1.267 470 HE1 MET 58 HE1 MET 58 21.132 -0.899 3.748 471 HE2 MET 58 HE2 MET 58 21.806 -1.798 2.389 472 HE3 MET 58 HE3 MET 58 22.680 -0.418 3.054 473 H GLU 59 H GLU 59 21.994 2.339 -2.726 474 HA GLU 59 HA GLU 59 19.054 2.519 -2.650 475 HB2 GLU 59 HB2 GLU 59 20.555 3.865 -4.366 476 HB3 GLU 59 HB3 GLU 59 20.542 2.334 -5.230 477 HG2 GLU 59 HG2 GLU 59 18.750 3.396 -6.172 478 HG3 GLU 59 HG3 GLU 59 17.967 2.476 -4.888 479 H LEU 60 H LEU 60 17.973 0.668 -2.690 480 HA LEU 60 HA LEU 60 19.200 -1.677 -3.961 481 HB2 LEU 60 HB2 LEU 60 18.509 -3.106 -2.147 482 HB3 LEU 60 HB3 LEU 60 19.555 -1.824 -1.539 483 HG LEU 60 HG LEU 60 16.631 -1.369 -1.371 484 HD11 LEU 60 HD11 LEU 60 16.129 -3.103 -0.087 485 HD12 LEU 60 HD12 LEU 60 17.501 -2.772 0.970 486 HD13 LEU 60 HD13 LEU 60 17.710 -3.792 -0.454 487 HD21 LEU 60 HD21 LEU 60 17.225 0.107 0.213 488 HD22 LEU 60 HD22 LEU 60 18.835 -0.049 -0.490 489 HD23 LEU 60 HD23 LEU 60 18.401 -0.989 0.938 490 H GLU 61 H GLU 61 17.753 -3.180 -4.839 491 HA GLU 61 HA GLU 61 14.908 -2.475 -4.776 492 HB2 GLU 61 HB2 GLU 61 16.057 -1.485 -6.808 493 HB3 GLU 61 HB3 GLU 61 16.344 -3.134 -7.346 494 HG2 GLU 61 HG2 GLU 61 13.750 -3.353 -6.985 495 HG3 GLU 61 HG3 GLU 61 13.804 -1.603 -7.188 496 H ALA 62 H ALA 62 13.871 -4.212 -4.075 497 HA ALA 62 HA ALA 62 14.860 -6.765 -3.804 498 HB1 ALA 62 HB1 ALA 62 11.954 -6.441 -4.366 499 HB2 ALA 62 HB2 ALA 62 12.765 -7.388 -3.118 500 HB3 ALA 62 HB3 ALA 62 12.645 -5.636 -2.956 501 H GLN 63 H GLN 63 15.618 -8.089 -5.313 502 HA GLN 63 HA GLN 63 14.792 -7.910 -8.057 503 HB2 GLN 63 HB2 GLN 63 16.949 -9.122 -6.570 504 HB3 GLN 63 HB3 GLN 63 16.267 -10.274 -7.709 505 HG2 GLN 63 HG2 GLN 63 17.411 -7.562 -8.320 506 HG3 GLN 63 HG3 GLN 63 18.068 -9.134 -8.772 507 HE21 GLN 63 HE21 GLN 63 16.400 -10.508 -10.023 508 HE22 GLN 63 HE22 GLN 63 15.591 -9.689 -11.311 509 H GLU 64 H GLU 64 14.632 -10.370 -9.057 510 HA GLU 64 HA GLU 64 12.019 -11.159 -8.676 511 HB2 GLU 64 HB2 GLU 64 14.023 -11.894 -10.371 512 HB3 GLU 64 HB3 GLU 64 13.851 -13.349 -9.399 513 HG2 GLU 64 HG2 GLU 64 11.818 -13.842 -10.243 514 HG3 GLU 64 HG3 GLU 64 11.353 -12.150 -10.408 515 H LYS 65 H LYS 65 14.902 -12.854 -7.432 516 HA LYS 65 HA LYS 65 13.335 -13.672 -5.094 517 HB2 LYS 65 HB2 LYS 65 14.286 -15.961 -5.247 518 HB3 LYS 65 HB3 LYS 65 13.204 -15.572 -6.578 519 HG2 LYS 65 HG2 LYS 65 14.813 -16.318 -7.915 520 HG3 LYS 65 HG3 LYS 65 15.672 -14.823 -7.539 521 HD2 LYS 65 HD2 LYS 65 17.082 -15.851 -6.043 522 HD3 LYS 65 HD3 LYS 65 15.928 -17.135 -5.675 523 HE2 LYS 65 HE2 LYS 65 17.850 -17.966 -6.952 524 HE3 LYS 65 HE3 LYS 65 16.339 -18.155 -7.839 525 HZ1 LYS 65 HZ1 LYS 65 18.016 -17.332 -9.311 526 HZ2 LYS 65 HZ2 LYS 65 18.394 -16.057 -8.267 527 HZ3 LYS 65 HZ3 LYS 65 16.894 -16.094 -9.047 528 H ARG 66 H ARG 66 15.488 -11.704 -5.624 529 HA ARG 66 HA ARG 66 17.195 -12.470 -3.409 530 HB2 ARG 66 HB2 ARG 66 19.282 -12.051 -4.600 531 HB3 ARG 66 HB3 ARG 66 18.394 -13.367 -5.356 532 HG2 ARG 66 HG2 ARG 66 17.514 -11.646 -6.994 533 HG3 ARG 66 HG3 ARG 66 18.732 -10.551 -6.336 534 HD2 ARG 66 HD2 ARG 66 20.503 -11.893 -7.085 535 HD3 ARG 66 HD3 ARG 66 19.451 -13.285 -7.342 536 HE ARG 66 HE ARG 66 18.814 -11.013 -8.990 537 HH11 ARG 66 HH11 ARG 66 20.742 -13.896 -8.689 538 HH12 ARG 66 HH12 ARG 66 20.972 -14.078 -10.396 539 HH21 ARG 66 HH21 ARG 66 19.109 -11.242 -11.240 540 HH22 ARG 66 HH22 ARG 66 20.043 -12.567 -11.847 541 H PHE 67 H PHE 67 18.936 -10.556 -3.188 542 HA PHE 67 HA PHE 67 17.496 -8.020 -3.591 543 HB2 PHE 67 HB2 PHE 67 18.360 -9.277 -1.103 544 HB3 PHE 67 HB3 PHE 67 18.982 -7.640 -1.283 545 HD1 PHE 67 HD2 PHE 67 17.472 -5.738 -1.376 546 HD2 PHE 67 HD1 PHE 67 16.009 -9.698 -0.838 547 HE1 PHE 67 HE2 PHE 67 15.302 -4.834 -0.651 548 HE2 PHE 67 HE1 PHE 67 13.836 -8.800 -0.113 549 HZ PHE 67 HZ PHE 67 13.481 -6.365 -0.017 550 H THR 68 H THR 68 18.792 -6.148 -3.812 551 HA THR 68 HA THR 68 21.672 -6.559 -4.133 552 HB THR 68 HB THR 68 20.774 -6.902 -6.373 553 HG1 THR 68 HG1 THR 68 22.547 -5.871 -6.880 554 HG21 THR 68 HG21 THR 68 19.616 -5.042 -7.536 555 HG22 THR 68 HG22 THR 68 19.530 -4.175 -6.002 556 HG23 THR 68 HG23 THR 68 18.679 -5.707 -6.199 557 H TYR 69 H TYR 69 22.895 -4.815 -3.601 558 HA TYR 69 HA TYR 69 21.477 -2.303 -3.001 559 HB2 TYR 69 HB2 TYR 69 23.783 -3.389 -1.381 560 HB3 TYR 69 HB3 TYR 69 22.757 -2.011 -0.999 561 HD1 TYR 69 HD2 TYR 69 22.849 -5.697 -1.242 562 HD2 TYR 69 HD1 TYR 69 20.677 -2.300 0.117 563 HE1 TYR 69 HE2 TYR 69 21.366 -7.171 0.053 564 HE2 TYR 69 HE1 TYR 69 19.189 -3.765 1.417 565 HH TYR 69 HH TYR 69 19.850 -7.141 1.848 566 H ARG 70 H ARG 70 23.115 -0.458 -2.694 567 HA ARG 70 HA ARG 70 25.444 -0.729 -4.440 568 HB2 ARG 70 HB2 ARG 70 23.052 0.969 -4.958 569 HB3 ARG 70 HB3 ARG 70 24.631 1.639 -5.345 570 HG2 ARG 70 HG2 ARG 70 23.755 -1.051 -6.344 571 HG3 ARG 70 HG3 ARG 70 23.383 0.444 -7.205 572 HD2 ARG 70 HD2 ARG 70 26.122 -0.611 -6.511 573 HD3 ARG 70 HD3 ARG 70 25.391 -0.551 -8.115 574 HE ARG 70 HE ARG 70 26.719 1.575 -6.762 575 HH11 ARG 70 HH11 ARG 70 24.152 0.860 -9.001 576 HH12 ARG 70 HH12 ARG 70 24.225 2.405 -9.781 577 HH21 ARG 70 HH21 ARG 70 26.826 3.613 -7.780 578 HH22 ARG 70 HH22 ARG 70 25.747 3.970 -9.086 579 H TYR 71 H TYR 71 27.111 0.686 -3.986 580 HA TYR 71 HA TYR 71 26.736 2.337 -1.575 581 HB2 TYR 71 HB2 TYR 71 29.289 2.026 -1.376 582 HB3 TYR 71 HB3 TYR 71 28.256 0.662 -0.965 583 HD1 TYR 71 HD1 TYR 71 28.067 -1.258 -2.513 584 HD2 TYR 71 HD2 TYR 71 30.788 1.931 -3.239 585 HE1 TYR 71 HE1 TYR 71 29.278 -2.666 -4.125 586 HE2 TYR 71 HE2 TYR 71 32.006 0.533 -4.855 587 HH TYR 71 HH TYR 71 31.345 -2.856 -5.216 588 H GLN 72 H GLN 72 26.592 4.413 -2.106 589 HA GLN 72 HA GLN 72 28.522 5.488 -4.049 590 HB2 GLN 72 HB2 GLN 72 25.569 6.032 -3.845 591 HB3 GLN 72 HB3 GLN 72 26.664 7.167 -4.622 592 HG2 GLN 72 HG2 GLN 72 26.754 4.330 -5.485 593 HG3 GLN 72 HG3 GLN 72 25.377 5.312 -5.982 594 HE21 GLN 72 HE21 GLN 72 25.792 7.232 -7.201 595 HE22 GLN 72 HE22 GLN 72 27.208 7.348 -8.183 596 H PHE 73 H PHE 73 29.387 7.491 -3.593 597 HA PHE 73 HA PHE 73 29.086 8.359 -0.828 598 HB2 PHE 73 HB2 PHE 73 31.082 9.045 -2.987 599 HB3 PHE 73 HB3 PHE 73 31.059 9.841 -1.416 600 HD1 PHE 73 HD1 PHE 73 30.837 7.982 0.586 601 HD2 PHE 73 HD2 PHE 73 32.675 7.427 -3.213 602 HE1 PHE 73 HE1 PHE 73 32.218 6.173 1.522 603 HE2 PHE 73 HE2 PHE 73 34.058 5.617 -2.284 604 HZ PHE 73 HZ PHE 73 33.831 4.988 0.087 605 H GLY 74 H GLY 74 28.306 10.316 -0.192 606 HA2 GLY 74 HA2 GLY 74 27.910 12.516 -1.953 607 HA3 GLY 74 HA3 GLY 74 26.406 11.638 -1.711 608 H LEU 75 H LEU 75 25.305 13.146 -0.544 609 HA LEU 75 HA LEU 75 26.213 13.545 2.198 610 HB2 LEU 75 HB2 LEU 75 27.002 15.490 0.867 611 HB3 LEU 75 HB3 LEU 75 25.324 15.840 0.457 612 HG LEU 75 HG LEU 75 25.211 15.807 3.175 613 HD11 LEU 75 HD11 LEU 75 27.157 16.217 4.160 614 HD12 LEU 75 HD12 LEU 75 27.518 17.524 3.033 615 HD13 LEU 75 HD13 LEU 75 27.946 15.863 2.623 616 HD21 LEU 75 HD21 LEU 75 25.388 18.333 2.939 617 HD22 LEU 75 HD22 LEU 75 24.181 17.522 1.941 618 HD23 LEU 75 HD23 LEU 75 25.709 18.042 1.229 619 H PHE 76 H PHE 76 24.557 13.859 3.678 620 HA PHE 76 HA PHE 76 21.826 13.630 2.596 621 HB2 PHE 76 HB2 PHE 76 22.384 11.511 3.563 622 HB3 PHE 76 HB3 PHE 76 23.046 12.277 5.004 623 HD1 PHE 76 HD1 PHE 76 19.873 11.884 3.105 624 HD2 PHE 76 HD2 PHE 76 21.723 12.539 6.882 625 HE1 PHE 76 HE1 PHE 76 17.682 11.690 4.208 626 HE2 PHE 76 HE2 PHE 76 19.535 12.345 7.991 627 HZ PHE 76 HZ PHE 76 17.511 11.922 6.654 628 H ASP 77 H ASP 77 20.819 15.498 2.923 629 HA ASP 77 HA ASP 77 21.460 17.108 5.275 630 HB2 ASP 77 HB2 ASP 77 20.322 17.636 2.602 631 HB3 ASP 77 HB3 ASP 77 19.622 18.577 3.916 632 H LYS 78 H LYS 78 19.525 18.270 6.284 633 HA LYS 78 HA LYS 78 17.695 16.243 7.215 634 HB2 LYS 78 HB2 LYS 78 16.872 18.067 8.715 635 HB3 LYS 78 HB3 LYS 78 18.594 17.739 8.860 636 HG2 LYS 78 HG2 LYS 78 19.159 19.698 7.652 637 HG3 LYS 78 HG3 LYS 78 17.484 19.953 7.156 638 HD2 LYS 78 HD2 LYS 78 18.335 19.954 10.042 639 HD3 LYS 78 HD3 LYS 78 18.350 21.413 9.048 640 HE2 LYS 78 HE2 LYS 78 15.912 20.876 8.526 641 HE3 LYS 78 HE3 LYS 78 16.000 19.721 9.855 642 HZ1 LYS 78 HZ1 LYS 78 16.666 21.556 11.316 643 HZ2 LYS 78 HZ2 LYS 78 15.139 21.810 10.637 644 HZ3 LYS 78 HZ3 LYS 78 16.481 22.646 10.036 645 H GLU 79 H GLU 79 17.623 18.979 5.061 646 HA GLU 79 HA GLU 79 14.734 19.031 4.907 647 HB2 GLU 79 HB2 GLU 79 16.924 20.532 3.487 648 HB3 GLU 79 HB3 GLU 79 15.239 20.675 3.004 649 HG2 GLU 79 HG2 GLU 79 15.995 21.125 5.852 650 HG3 GLU 79 HG3 GLU 79 16.288 22.388 4.657 651 H GLY 80 H GLY 80 17.171 17.158 3.577 652 HA2 GLY 80 HA2 GLY 80 16.970 15.399 2.078 653 HA3 GLY 80 HA3 GLY 80 15.327 15.921 1.735 654 H ASN 81 H ASN 81 17.744 18.337 1.514 655 HA ASN 81 HA ASN 81 17.326 18.510 -1.350 656 HB2 ASN 81 HB2 ASN 81 19.052 20.303 0.361 657 HB3 ASN 81 HB3 ASN 81 18.361 20.663 -1.219 658 HD21 ASN 81 HD21 ASN 81 18.117 22.051 1.358 659 HD22 ASN 81 HD22 ASN 81 16.421 22.153 1.672 660 H TRP 82 H TRP 82 18.626 17.601 -2.788 661 HA TRP 82 HA TRP 82 20.989 16.225 -2.071 662 HB2 TRP 82 HB2 TRP 82 21.276 15.875 -4.495 663 HB3 TRP 82 HB3 TRP 82 19.627 15.534 -3.976 664 HD1 TRP 82 HD1 TRP 82 17.715 17.282 -4.742 665 HE1 TRP 82 HE1 TRP 82 17.629 18.940 -6.710 666 HE3 TRP 82 HE3 TRP 82 22.691 17.415 -5.911 667 HZ2 TRP 82 HZ2 TRP 82 19.431 20.143 -8.518 668 HZ3 TRP 82 HZ3 TRP 82 23.427 18.844 -7.773 669 HH2 TRP 82 HH2 TRP 82 21.830 20.179 -9.049 670 H THR 83 H THR 83 22.968 16.980 -1.750 671 HA THR 83 HA THR 83 23.843 19.375 -3.204 672 HB THR 83 HB THR 83 24.495 19.002 -0.286 673 HG1 THR 83 HG1 THR 83 22.859 20.810 -0.132 674 HG21 THR 83 HG21 THR 83 26.024 20.464 -1.364 675 HG22 THR 83 HG22 THR 83 24.882 21.497 -0.504 676 HG23 THR 83 HG23 THR 83 24.733 21.276 -2.247 677 H VAL 84 H VAL 84 25.417 18.564 -4.449 678 HA VAL 84 HA VAL 84 27.047 16.356 -3.747 679 HB VAL 84 HB VAL 84 28.444 17.071 -5.712 680 HG11 VAL 84 HG11 VAL 84 27.041 15.962 -7.066 681 HG12 VAL 84 HG12 VAL 84 26.026 15.819 -5.629 682 HG13 VAL 84 HG13 VAL 84 25.724 17.104 -6.800 683 HG21 VAL 84 HG21 VAL 84 28.299 19.138 -6.509 684 HG22 VAL 84 HG22 VAL 84 26.583 18.910 -6.845 685 HG23 VAL 84 HG23 VAL 84 27.100 19.520 -5.274 686 H VAL 85 H VAL 85 28.669 16.311 -2.352 687 HA VAL 85 HA VAL 85 30.546 18.533 -2.223 688 HB VAL 85 HB VAL 85 28.935 19.128 -0.501 689 HG11 VAL 85 HG11 VAL 85 28.821 16.331 -0.086 690 HG12 VAL 85 HG12 VAL 85 29.370 17.072 1.419 691 HG13 VAL 85 HG13 VAL 85 27.855 17.592 0.680 692 HG21 VAL 85 HG21 VAL 85 30.473 19.117 1.469 693 HG22 VAL 85 HG22 VAL 85 31.553 18.067 0.552 694 HG23 VAL 85 HG23 VAL 85 31.209 19.698 -0.025 695 HA PRO 86 HA PRO 86 33.317 15.094 -1.985 696 HB2 PRO 86 HB2 PRO 86 35.571 16.497 -1.418 697 HB3 PRO 86 HB3 PRO 86 34.842 16.460 -3.028 698 HG2 PRO 86 HG2 PRO 86 34.623 18.551 -0.897 699 HG3 PRO 86 HG3 PRO 86 34.858 18.754 -2.643 700 HD2 PRO 86 HD2 PRO 86 32.446 19.064 -1.452 701 HD3 PRO 86 HD3 PRO 86 32.622 18.445 -3.107 702 H ILE 87 H ILE 87 34.038 13.754 -0.414 703 HA ILE 87 HA ILE 87 33.365 14.243 2.282 704 HB ILE 87 HB ILE 87 35.261 12.142 1.230 705 HG12 ILE 87 HG12 ILE 87 33.069 12.098 0.081 706 HG13 ILE 87 HG13 ILE 87 33.323 10.674 1.084 707 HG21 ILE 87 HG21 ILE 87 33.819 12.533 3.823 708 HG22 ILE 87 HG22 ILE 87 34.269 10.919 3.276 709 HG23 ILE 87 HG23 ILE 87 35.514 12.140 3.537 710 HD11 ILE 87 HD11 ILE 87 32.034 12.594 2.691 711 HD12 ILE 87 HD12 ILE 87 31.189 12.549 1.143 712 HD13 ILE 87 HD13 ILE 87 31.395 11.069 2.079 713 H ASN 88 H ASN 88 34.669 14.567 4.101 714 HA ASN 88 HA ASN 88 36.754 16.407 3.830 715 HB2 ASN 88 HB2 ASN 88 35.342 15.131 5.973 716 HB3 ASN 88 HB3 ASN 88 37.067 15.092 6.323 717 HD21 ASN 88 HD21 ASN 88 37.043 16.579 7.941 718 HD22 ASN 88 HD22 ASN 88 36.675 18.249 7.700 719 H GLU 89 H GLU 89 38.856 15.757 5.355 720 HA GLU 89 HA GLU 89 40.599 14.441 3.686 721 HB2 GLU 89 HB2 GLU 89 40.629 15.043 6.613 722 HB3 GLU 89 HB3 GLU 89 41.884 14.005 5.950 723 HG2 GLU 89 HG2 GLU 89 42.378 15.815 4.292 724 HG3 GLU 89 HG3 GLU 89 41.272 16.848 5.194 725 H THR 90 H THR 90 41.850 12.403 4.227 726 HA THR 90 HA THR 90 40.274 10.166 3.927 727 HB THR 90 HB THR 90 42.714 10.223 3.487 728 HG1 THR 90 HG1 THR 90 43.073 8.067 4.291 729 HG21 THR 90 HG21 THR 90 44.280 9.849 5.330 730 HG22 THR 90 HG22 THR 90 42.955 9.969 6.487 731 HG23 THR 90 HG23 THR 90 43.421 11.375 5.531 732 H GLU 91 H GLU 91 41.215 11.791 6.865 733 HA GLU 91 HA GLU 91 40.785 9.802 8.752 734 HB2 GLU 91 HB2 GLU 91 40.244 11.674 10.318 735 HB3 GLU 91 HB3 GLU 91 41.738 11.898 9.419 736 HG2 GLU 91 HG2 GLU 91 40.431 13.321 7.812 737 HG3 GLU 91 HG3 GLU 91 39.092 13.242 8.955 738 H VAL 92 H VAL 92 38.463 11.965 7.192 739 HA VAL 92 HA VAL 92 36.234 10.909 8.689 740 HB VAL 92 HB VAL 92 36.307 12.757 6.300 741 HG11 VAL 92 HG11 VAL 92 34.194 11.619 6.326 742 HG12 VAL 92 HG12 VAL 92 34.008 11.910 8.057 743 HG13 VAL 92 HG13 VAL 92 33.953 13.261 6.923 744 HG21 VAL 92 HG21 VAL 92 36.211 13.186 9.261 745 HG22 VAL 92 HG22 VAL 92 37.238 13.960 8.054 746 HG23 VAL 92 HG23 VAL 92 35.528 14.382 8.159 747 H VAL 93 H VAL 93 37.716 10.398 5.562 748 HA VAL 93 HA VAL 93 35.581 8.940 4.389 749 HB VAL 93 HB VAL 93 37.974 9.930 3.469 750 HG11 VAL 93 HG11 VAL 93 39.257 8.070 2.606 751 HG12 VAL 93 HG12 VAL 93 39.147 7.951 4.363 752 HG13 VAL 93 HG13 VAL 93 38.141 6.921 3.343 753 HG21 VAL 93 HG21 VAL 93 35.674 8.512 2.424 754 HG22 VAL 93 HG22 VAL 93 36.581 9.855 1.730 755 HG23 VAL 93 HG23 VAL 93 37.128 8.198 1.477 756 H GLU 94 H GLU 94 38.331 8.053 6.385 757 HA GLU 94 HA GLU 94 38.080 5.241 6.012 758 HB2 GLU 94 HB2 GLU 94 39.630 5.044 7.880 759 HB3 GLU 94 HB3 GLU 94 40.174 6.287 6.762 760 HG2 GLU 94 HG2 GLU 94 39.646 8.012 8.220 761 HG3 GLU 94 HG3 GLU 94 38.550 7.006 9.166 762 H ARG 95 H ARG 95 36.572 7.567 8.103 763 HA ARG 95 HA ARG 95 35.622 5.743 10.065 764 HB2 ARG 95 HB2 ARG 95 35.766 8.097 10.584 765 HB3 ARG 95 HB3 ARG 95 34.674 8.497 9.265 766 HG2 ARG 95 HG2 ARG 95 33.442 8.646 11.287 767 HG3 ARG 95 HG3 ARG 95 32.900 7.192 10.445 768 HD2 ARG 95 HD2 ARG 95 33.150 6.562 12.701 769 HD3 ARG 95 HD3 ARG 95 34.565 5.918 11.869 770 HE ARG 95 HE ARG 95 35.164 8.467 12.900 771 HH11 ARG 95 HH11 ARG 95 34.551 5.205 13.952 772 HH12 ARG 95 HH12 ARG 95 35.517 5.347 15.384 773 HH21 ARG 95 HH21 ARG 95 36.438 8.666 14.782 774 HH22 ARG 95 HH22 ARG 95 36.588 7.316 15.855 775 H LEU 96 H LEU 96 34.171 7.167 7.157 776 HA LEU 96 HA LEU 96 31.658 5.871 7.478 777 HB2 LEU 96 HB2 LEU 96 33.013 7.396 5.311 778 HB3 LEU 96 HB3 LEU 96 31.602 6.424 4.900 779 HG LEU 96 HG LEU 96 31.099 8.820 5.315 780 HD11 LEU 96 HD11 LEU 96 29.859 6.837 7.217 781 HD12 LEU 96 HD12 LEU 96 29.357 7.160 5.558 782 HD13 LEU 96 HD13 LEU 96 29.176 8.407 6.792 783 HD21 LEU 96 HD21 LEU 96 32.732 9.261 7.056 784 HD22 LEU 96 HD22 LEU 96 31.910 8.139 8.140 785 HD23 LEU 96 HD23 LEU 96 31.106 9.626 7.634 786 H GLU 97 H GLU 97 34.645 5.071 5.813 787 HA GLU 97 HA GLU 97 33.755 2.978 4.208 788 HB2 GLU 97 HB2 GLU 97 36.370 3.692 5.454 789 HB3 GLU 97 HB3 GLU 97 36.198 2.097 4.736 790 HG2 GLU 97 HG2 GLU 97 35.904 2.944 2.602 791 HG3 GLU 97 HG3 GLU 97 35.436 4.537 3.192 792 H TYR 98 H TYR 98 34.502 3.064 7.630 793 HA TYR 98 HA TYR 98 34.523 0.256 8.044 794 HB2 TYR 98 HB2 TYR 98 35.562 1.727 9.660 795 HB3 TYR 98 HB3 TYR 98 34.032 2.545 9.958 796 HD1 TYR 98 HD2 TYR 98 32.228 1.380 11.189 797 HD2 TYR 98 HD1 TYR 98 36.086 -0.351 10.719 798 HE1 TYR 98 HE2 TYR 98 31.734 -0.199 13.009 799 HE2 TYR 98 HE1 TYR 98 35.602 -1.936 12.537 800 HH TYR 98 HH TYR 98 33.863 -2.858 13.762 801 H THR 99 H THR 99 32.027 2.741 8.514 802 HA THR 99 HA THR 99 30.018 1.014 9.459 803 HB THR 99 HB THR 99 28.455 2.783 9.048 804 HG1 THR 99 HG1 THR 99 28.831 4.402 7.609 805 HG21 THR 99 HG21 THR 99 30.536 4.681 9.592 806 HG22 THR 99 HG22 THR 99 30.878 3.168 10.431 807 HG23 THR 99 HG23 THR 99 29.342 3.994 10.693 808 H LEU 100 H LEU 100 30.994 1.945 6.213 809 HA LEU 100 HA LEU 100 28.796 1.003 4.778 810 HB2 LEU 100 HB2 LEU 100 30.352 2.295 3.602 811 HB3 LEU 100 HB3 LEU 100 31.705 1.288 4.114 812 HG LEU 100 HG LEU 100 29.640 0.029 2.393 813 HD11 LEU 100 HD11 LEU 100 30.401 2.451 1.582 814 HD12 LEU 100 HD12 LEU 100 30.140 1.110 0.467 815 HD13 LEU 100 HD13 LEU 100 31.775 1.519 0.987 816 HD21 LEU 100 HD21 LEU 100 31.335 -1.438 2.938 817 HD22 LEU 100 HD22 LEU 100 32.579 -0.189 2.887 818 HD23 LEU 100 HD23 LEU 100 31.888 -0.809 1.386 819 H ARG 101 H ARG 101 31.725 -0.691 5.836 820 HA ARG 101 HA ARG 101 31.063 -3.165 4.611 821 HB2 ARG 101 HB2 ARG 101 33.316 -2.180 5.721 822 HB3 ARG 101 HB3 ARG 101 32.750 -3.190 7.045 823 HG2 ARG 101 HG2 ARG 101 33.982 -4.740 5.962 824 HG3 ARG 101 HG3 ARG 101 32.484 -4.940 5.052 825 HD2 ARG 101 HD2 ARG 101 33.328 -3.375 3.354 826 HD3 ARG 101 HD3 ARG 101 34.834 -3.223 4.259 827 HE ARG 101 HE ARG 101 34.644 -5.884 3.840 828 HH11 ARG 101 HH11 ARG 101 34.434 -3.120 1.734 829 HH12 ARG 101 HH12 ARG 101 35.062 -3.959 0.355 830 HH21 ARG 101 HH21 ARG 101 35.472 -7.000 2.032 831 HH22 ARG 101 HH22 ARG 101 35.652 -6.166 0.525 832 H GLU 102 H GLU 102 30.683 -1.915 7.911 833 HA GLU 102 HA GLU 102 29.602 -4.253 9.037 834 HB2 GLU 102 HB2 GLU 102 29.619 -1.362 9.776 835 HB3 GLU 102 HB3 GLU 102 28.505 -2.429 10.619 836 HG2 GLU 102 HG2 GLU 102 31.495 -2.733 10.467 837 HG3 GLU 102 HG3 GLU 102 30.563 -2.192 11.862 838 H PHE 103 H PHE 103 28.189 -1.709 7.126 839 HA PHE 103 HA PHE 103 25.476 -2.181 7.757 840 HB2 PHE 103 HB2 PHE 103 26.774 -0.285 6.323 841 HB3 PHE 103 HB3 PHE 103 26.107 -1.260 5.018 842 HD1 PHE 103 HD2 PHE 103 23.530 -2.018 5.669 843 HD2 PHE 103 HD1 PHE 103 25.527 1.561 6.820 844 HE1 PHE 103 HE2 PHE 103 21.357 -0.897 5.943 845 HE2 PHE 103 HE1 PHE 103 23.357 2.687 7.096 846 HZ PHE 103 HZ PHE 103 21.268 1.458 6.657 847 H HIS 104 H HIS 104 27.614 -3.478 5.258 848 HA HIS 104 HA HIS 104 25.601 -4.995 3.939 849 HB2 HIS 104 HB2 HIS 104 27.585 -4.415 2.718 850 HB3 HIS 104 HB3 HIS 104 28.616 -5.186 3.920 851 HD1 HIS 104 HD1 HIS 104 28.507 -7.848 3.998 852 HD2 HIS 104 HD2 HIS 104 26.696 -6.061 0.713 853 HE1 HIS 104 HE1 HIS 104 28.207 -9.689 2.311 854 H GLU 105 H GLU 105 27.777 -5.608 6.610 855 HA GLU 105 HA GLU 105 27.383 -8.432 6.685 856 HB2 GLU 105 HB2 GLU 105 29.090 -6.637 7.928 857 HB3 GLU 105 HB3 GLU 105 28.069 -7.206 9.241 858 HG2 GLU 105 HG2 GLU 105 28.888 -9.314 9.159 859 HG3 GLU 105 HG3 GLU 105 29.177 -9.255 7.421 860 H LYS 106 H LYS 106 26.047 -5.722 8.558 861 HA LYS 106 HA LYS 106 24.378 -7.260 10.216 862 HB2 LYS 106 HB2 LYS 106 23.553 -5.260 10.997 863 HB3 LYS 106 HB3 LYS 106 25.069 -4.719 10.289 864 HG2 LYS 106 HG2 LYS 106 23.664 -4.290 8.169 865 HG3 LYS 106 HG3 LYS 106 22.282 -4.377 9.264 866 HD2 LYS 106 HD2 LYS 106 24.641 -2.514 9.540 867 HD3 LYS 106 HD3 LYS 106 23.037 -2.069 8.954 868 HE2 LYS 106 HE2 LYS 106 22.069 -2.648 11.106 869 HE3 LYS 106 HE3 LYS 106 23.646 -3.175 11.694 870 HZ1 LYS 106 HZ1 LYS 106 22.600 -0.681 11.961 871 HZ2 LYS 106 HZ2 LYS 106 23.677 -0.499 10.670 872 HZ3 LYS 106 HZ3 LYS 106 24.230 -1.091 12.155 873 H LEU 107 H LEU 107 23.962 -6.017 6.974 874 HA LEU 107 HA LEU 107 21.156 -6.428 6.807 875 HB2 LEU 107 HB2 LEU 107 22.936 -5.133 5.277 876 HB3 LEU 107 HB3 LEU 107 22.798 -6.628 4.355 877 HG LEU 107 HG LEU 107 21.268 -5.185 3.348 878 HD11 LEU 107 HD11 LEU 107 20.318 -7.393 3.898 879 HD12 LEU 107 HD12 LEU 107 19.095 -6.127 3.805 880 HD13 LEU 107 HD13 LEU 107 19.642 -6.710 5.377 881 HD21 LEU 107 HD21 LEU 107 21.165 -3.985 5.940 882 HD22 LEU 107 HD22 LEU 107 19.524 -4.302 5.375 883 HD23 LEU 107 HD23 LEU 107 20.625 -3.337 4.391 884 H ARG 108 H ARG 108 23.965 -8.434 6.155 885 HA ARG 108 HA ARG 108 22.801 -10.498 4.716 886 HB2 ARG 108 HB2 ARG 108 25.259 -10.033 6.020 887 HB3 ARG 108 HB3 ARG 108 24.662 -11.571 6.630 888 HG2 ARG 108 HG2 ARG 108 24.673 -11.039 3.693 889 HG3 ARG 108 HG3 ARG 108 26.162 -11.508 4.516 890 HD2 ARG 108 HD2 ARG 108 25.507 -13.622 4.284 891 HD3 ARG 108 HD3 ARG 108 24.250 -13.280 5.473 892 HE ARG 108 HE ARG 108 22.690 -13.281 3.786 893 HH11 ARG 108 HH11 ARG 108 25.890 -13.199 2.417 894 HH12 ARG 108 HH12 ARG 108 25.345 -13.478 0.796 895 HH21 ARG 108 HH21 ARG 108 21.961 -13.649 1.657 896 HH22 ARG 108 HH22 ARG 108 23.110 -13.733 0.365 897 H ASP 109 H ASP 109 23.031 -10.103 8.239 898 HA ASP 109 HA ASP 109 21.858 -12.503 9.007 899 HB2 ASP 109 HB2 ASP 109 22.969 -10.831 10.520 900 HB3 ASP 109 HB3 ASP 109 21.506 -9.854 10.421 901 H LEU 110 H LEU 110 20.316 -9.378 8.320 902 HA LEU 110 HA LEU 110 17.684 -10.155 8.902 903 HB2 LEU 110 HB2 LEU 110 18.240 -7.839 8.698 904 HB3 LEU 110 HB3 LEU 110 18.775 -8.061 7.034 905 HG LEU 110 HG LEU 110 16.293 -8.748 6.619 906 HD11 LEU 110 HD11 LEU 110 15.489 -6.806 8.628 907 HD12 LEU 110 HD12 LEU 110 16.135 -8.290 9.327 908 HD13 LEU 110 HD13 LEU 110 14.776 -8.362 8.205 909 HD21 LEU 110 HD21 LEU 110 16.411 -5.858 7.123 910 HD22 LEU 110 HD22 LEU 110 16.080 -6.741 5.633 911 HD23 LEU 110 HD23 LEU 110 17.745 -6.502 6.166 912 H LEU 111 H LEU 111 19.377 -10.003 5.771 913 HA LEU 111 HA LEU 111 17.291 -11.002 4.202 914 HB2 LEU 111 HB2 LEU 111 20.110 -10.454 3.899 915 HB3 LEU 111 HB3 LEU 111 19.651 -11.918 3.032 916 HG LEU 111 HG LEU 111 18.101 -10.725 1.675 917 HD11 LEU 111 HD11 LEU 111 17.984 -8.162 2.034 918 HD12 LEU 111 HD12 LEU 111 18.499 -8.541 3.677 919 HD13 LEU 111 HD13 LEU 111 17.001 -9.222 3.044 920 HD21 LEU 111 HD21 LEU 111 20.480 -10.558 1.053 921 HD22 LEU 111 HD22 LEU 111 20.590 -9.043 1.950 922 HD23 LEU 111 HD23 LEU 111 19.544 -9.157 0.533 923 H ILE 112 H ILE 112 19.680 -12.630 6.172 924 HA ILE 112 HA ILE 112 19.374 -15.231 5.142 925 HB ILE 112 HB ILE 112 20.269 -14.205 7.823 926 HG12 ILE 112 HG12 ILE 112 21.887 -15.846 5.909 927 HG13 ILE 112 HG13 ILE 112 21.618 -14.141 5.568 928 HG21 ILE 112 HG21 ILE 112 19.941 -17.064 6.944 929 HG22 ILE 112 HG22 ILE 112 21.002 -16.577 8.264 930 HG23 ILE 112 HG23 ILE 112 19.267 -16.280 8.373 931 HD11 ILE 112 HD11 ILE 112 23.723 -14.951 6.897 932 HD12 ILE 112 HD12 ILE 112 22.901 -13.449 7.322 933 HD13 ILE 112 HD13 ILE 112 22.605 -14.913 8.261 934 H SER 113 H SER 113 17.483 -13.364 7.401 935 HA SER 113 HA SER 113 16.009 -15.526 8.506 936 HB2 SER 113 HB2 SER 113 16.110 -13.409 9.682 937 HB3 SER 113 HB3 SER 113 15.367 -12.574 8.318 938 HG SER 113 HG SER 113 13.987 -14.727 9.436 939 H MET 114 H MET 114 15.685 -13.585 5.628 940 HA MET 114 HA MET 114 13.068 -14.762 5.047 941 HB2 MET 114 HB2 MET 114 14.526 -12.713 3.386 942 HB3 MET 114 HB3 MET 114 12.810 -13.098 3.368 943 HG2 MET 114 HG2 MET 114 12.448 -11.476 4.818 944 HG3 MET 114 HG3 MET 114 13.445 -12.322 5.998 945 HE1 MET 114 HE1 MET 114 12.556 -9.441 4.909 946 HE2 MET 114 HE2 MET 114 13.762 -8.580 5.865 947 HE3 MET 114 HE3 MET 114 13.812 -8.501 4.103 948 H GLU 115 H GLU 115 16.270 -15.444 4.543 949 HA GLU 115 HA GLU 115 17.374 -16.919 3.209 950 HB2 GLU 115 HB2 GLU 115 14.679 -17.768 2.153 951 HB3 GLU 115 HB3 GLU 115 16.161 -18.712 2.204 952 HG2 GLU 115 HG2 GLU 115 16.030 -18.569 4.714 953 HG3 GLU 115 HG3 GLU 115 14.413 -17.900 4.506 954 H LEU 116 H LEU 116 17.331 -14.398 2.262 955 HA LEU 116 HA LEU 116 16.664 -14.592 -0.590 956 HB2 LEU 116 HB2 LEU 116 16.992 -12.344 1.326 957 HB3 LEU 116 HB3 LEU 116 17.379 -12.052 -0.369 958 HG LEU 116 HG LEU 116 15.057 -11.404 0.374 959 HD11 LEU 116 HD11 LEU 116 15.879 -12.920 -1.974 960 HD12 LEU 116 HD12 LEU 116 14.940 -11.433 -1.853 961 HD13 LEU 116 HD13 LEU 116 14.145 -12.996 -1.664 962 HD21 LEU 116 HD21 LEU 116 14.915 -13.680 1.681 963 HD22 LEU 116 HD22 LEU 116 14.314 -14.279 0.135 964 HD23 LEU 116 HD23 LEU 116 13.478 -12.960 0.955 965 H ALA 117 H ALA 117 18.271 -13.253 -1.993 966 HA ALA 117 HA ALA 117 20.961 -14.267 -1.383 967 HB1 ALA 117 HB1 ALA 117 19.382 -14.363 -3.716 968 HB2 ALA 117 HB2 ALA 117 20.745 -13.296 -4.060 969 HB3 ALA 117 HB3 ALA 117 21.034 -14.942 -3.494 970 H LEU 118 H LEU 118 22.762 -12.946 -1.497 971 HA LEU 118 HA LEU 118 22.266 -10.068 -1.852 972 HB2 LEU 118 HB2 LEU 118 22.387 -10.347 0.489 973 HB3 LEU 118 HB3 LEU 118 23.752 -11.455 0.360 974 HG LEU 118 HG LEU 118 25.227 -9.641 -0.230 975 HD11 LEU 118 HD11 LEU 118 22.762 -8.303 -0.856 976 HD12 LEU 118 HD12 LEU 118 24.415 -7.870 -1.290 977 HD13 LEU 118 HD13 LEU 118 23.735 -7.326 0.243 978 HD21 LEU 118 HD21 LEU 118 24.862 -8.180 1.854 979 HD22 LEU 118 HD22 LEU 118 25.145 -9.906 2.082 980 HD23 LEU 118 HD23 LEU 118 23.508 -9.257 2.195 981 H GLU 119 H GLU 119 23.451 -9.329 -3.474 982 HA GLU 119 HA GLU 119 26.247 -10.110 -3.697 983 HB2 GLU 119 HB2 GLU 119 24.144 -10.722 -5.729 984 HB3 GLU 119 HB3 GLU 119 25.755 -10.288 -6.284 985 HG2 GLU 119 HG2 GLU 119 25.299 -12.462 -4.270 986 HG3 GLU 119 HG3 GLU 119 25.237 -12.758 -6.007 987 HA PRO 120 HA PRO 120 26.879 -5.933 -4.874 988 HB2 PRO 120 HB2 PRO 120 28.905 -6.135 -6.670 989 HB3 PRO 120 HB3 PRO 120 29.129 -6.392 -4.935 990 HG2 PRO 120 HG2 PRO 120 28.792 -8.409 -7.121 991 HG3 PRO 120 HG3 PRO 120 29.918 -8.421 -5.752 992 HD2 PRO 120 HD2 PRO 120 27.626 -9.863 -5.767 993 HD3 PRO 120 HD3 PRO 120 28.316 -9.182 -4.279 994 H SER 121 H SER 121 27.032 -4.433 -6.783 995 HA SER 121 HA SER 121 24.886 -4.981 -8.585 996 HB2 SER 121 HB2 SER 121 25.424 -2.743 -9.524 997 HB3 SER 121 HB3 SER 121 25.243 -2.716 -7.770 998 HG SER 121 HG SER 121 27.480 -2.674 -7.574 999 H ASP 122 H ASP 122 24.928 -5.670 -10.641 1000 HA ASP 122 HA ASP 122 27.214 -6.930 -11.688 1001 HB2 ASP 122 HB2 ASP 122 24.590 -6.133 -12.947 1002 HB3 ASP 122 HB3 ASP 122 25.835 -7.016 -13.826 1003 H ASP 123 H ASP 123 26.250 -3.668 -11.711 1004 HA ASP 123 HA ASP 123 27.814 -3.000 -14.079 1005 HB2 ASP 123 HB2 ASP 123 26.205 -1.249 -12.208 1006 HB3 ASP 123 HB3 ASP 123 27.015 -0.691 -13.670 1007 H PHE 124 H PHE 124 28.789 -3.921 -11.270 1008 HA PHE 124 HA PHE 124 30.532 -1.673 -10.607 1009 HB2 PHE 124 HB2 PHE 124 29.478 -2.718 -8.713 1010 HB3 PHE 124 HB3 PHE 124 30.016 -4.313 -9.230 1011 HD1 PHE 124 HD2 PHE 124 31.884 -1.104 -8.982 1012 HD2 PHE 124 HD1 PHE 124 31.415 -5.091 -7.566 1013 HE1 PHE 124 HE2 PHE 124 33.917 -0.856 -7.619 1014 HE2 PHE 124 HE1 PHE 124 33.446 -4.848 -6.199 1015 HZ PHE 124 HZ PHE 124 34.701 -2.729 -6.225 1016 H ASN 125 H ASN 125 32.630 -1.589 -11.118 1017 HA ASN 125 HA ASN 125 33.770 -3.862 -12.572 1018 HB2 ASN 125 HB2 ASN 125 33.709 -1.275 -13.296 1019 HB3 ASN 125 HB3 ASN 125 35.233 -1.282 -12.413 1020 HD21 ASN 125 HD21 ASN 125 33.493 -2.570 -15.142 1021 HD22 ASN 125 HD22 ASN 125 34.875 -3.152 -16.000 1022 H ASP 126 H ASP 126 36.398 -3.620 -12.313 1023 HA ASP 126 HA ASP 126 36.907 -4.644 -9.705 1024 HB2 ASP 126 HB2 ASP 126 38.923 -3.813 -11.801 1025 HB3 ASP 126 HB3 ASP 126 39.197 -4.906 -10.447 1026 H GLU 127 H GLU 127 39.258 -3.711 -8.836 1027 HA GLU 127 HA GLU 127 40.246 -2.074 -7.603 1028 HB2 GLU 127 HB2 GLU 127 40.083 -0.981 -9.991 1029 HB3 GLU 127 HB3 GLU 127 38.893 0.052 -9.213 1030 HG2 GLU 127 HG2 GLU 127 40.800 1.282 -8.939 1031 HG3 GLU 127 HG3 GLU 127 40.756 0.382 -7.425 1032 HA PRO 128 HA PRO 128 36.205 -1.476 -5.367 1033 HB2 PRO 128 HB2 PRO 128 36.969 -2.805 -3.127 1034 HB3 PRO 128 HB3 PRO 128 36.246 -3.613 -4.523 1035 HG2 PRO 128 HG2 PRO 128 39.129 -3.391 -3.746 1036 HG3 PRO 128 HG3 PRO 128 38.240 -4.798 -4.357 1037 HD2 PRO 128 HD2 PRO 128 39.837 -3.287 -5.936 1038 HD3 PRO 128 HD3 PRO 128 38.379 -4.094 -6.547 1039 H VAL 129 H VAL 129 35.818 -0.218 -3.467 1040 HA VAL 129 HA VAL 129 37.486 1.965 -3.107 1041 HB VAL 129 HB VAL 129 35.129 1.981 -2.449 1042 HG11 VAL 129 HG11 VAL 129 35.761 -0.376 -1.116 1043 HG12 VAL 129 HG12 VAL 129 35.424 0.788 0.167 1044 HG13 VAL 129 HG13 VAL 129 34.219 0.477 -1.084 1045 HG21 VAL 129 HG21 VAL 129 35.458 3.610 -0.934 1046 HG22 VAL 129 HG22 VAL 129 36.363 2.557 0.154 1047 HG23 VAL 129 HG23 VAL 129 37.168 3.297 -1.230 1048 H LYS 130 H LYS 130 39.282 2.338 -1.977 1049 HA LYS 130 HA LYS 130 40.514 0.191 -0.510 1050 HB2 LYS 130 HB2 LYS 130 41.351 3.004 -1.186 1051 HB3 LYS 130 HB3 LYS 130 42.312 1.982 -0.126 1052 HG2 LYS 130 HG2 LYS 130 41.521 1.170 -2.910 1053 HG3 LYS 130 HG3 LYS 130 43.014 2.036 -2.538 1054 HD2 LYS 130 HD2 LYS 130 42.406 -0.422 -0.981 1055 HD3 LYS 130 HD3 LYS 130 42.915 -0.614 -2.660 1056 HE2 LYS 130 HE2 LYS 130 44.923 0.708 -2.198 1057 HE3 LYS 130 HE3 LYS 130 44.412 0.900 -0.521 1058 HZ1 LYS 130 HZ1 LYS 130 46.066 -0.995 -1.278 1059 HZ2 LYS 130 HZ2 LYS 130 44.618 -1.823 -1.554 1060 HZ3 LYS 130 HZ3 LYS 130 44.967 -1.222 -0.012 1061 H LEU 131 H LEU 131 39.460 -0.207 1.382 1062 HA LEU 131 HA LEU 131 38.550 1.864 3.126 1063 HB2 LEU 131 HB2 LEU 131 38.848 -1.110 3.410 1064 HB3 LEU 131 HB3 LEU 131 38.317 -0.095 4.749 1065 HG LEU 131 HG LEU 131 36.527 0.688 2.952 1066 HD11 LEU 131 HD11 LEU 131 37.742 -1.696 1.795 1067 HD12 LEU 131 HD12 LEU 131 36.705 -0.475 1.056 1068 HD13 LEU 131 HD13 LEU 131 35.990 -1.809 1.962 1069 HD21 LEU 131 HD21 LEU 131 35.083 -1.240 3.813 1070 HD22 LEU 131 HD22 LEU 131 35.796 -0.155 5.008 1071 HD23 LEU 131 HD23 LEU 131 36.513 -1.740 4.716 1072 H SER 132 H SER 132 41.506 0.103 2.736 1073 HA SER 132 HA SER 132 42.529 1.151 5.283 1074 HB2 SER 132 HB2 SER 132 43.802 -0.902 3.459 1075 HB3 SER 132 HB3 SER 132 44.312 -0.478 5.093 1076 HG SER 132 HG SER 132 43.054 -2.099 5.593 1077 H ALA 133 H ALA 133 42.238 3.143 3.562 1078 HA ALA 133 HA ALA 133 44.759 3.527 2.130 1079 HB1 ALA 133 HB1 ALA 133 42.610 4.036 0.997 1080 HB2 ALA 133 HB2 ALA 133 42.338 5.322 2.174 1081 HB3 ALA 133 HB3 ALA 133 43.712 5.412 1.072 Start of MODEL 20 1 H MET 1 H MET 1 -0.028 -1.626 0.449 2 HA MET 1 HA MET 1 2.108 -0.073 -0.838 3 HB2 MET 1 HB2 MET 1 1.451 -0.673 2.031 4 HB3 MET 1 HB3 MET 1 3.069 -0.161 1.570 5 HG2 MET 1 HG2 MET 1 2.049 1.817 2.178 6 HG3 MET 1 HG3 MET 1 1.886 1.812 0.423 7 HE1 MET 1 HE1 MET 1 -1.173 1.757 -0.657 8 HE2 MET 1 HE2 MET 1 -1.193 3.269 0.250 9 HE3 MET 1 HE3 MET 1 0.307 2.701 -0.484 10 H THR 2 H THR 2 2.567 -1.990 -2.174 11 HA THR 2 HA THR 2 4.432 -3.773 -0.775 12 HB THR 2 HB THR 2 3.672 -5.714 -2.011 13 HG1 THR 2 HG1 THR 2 1.741 -3.935 -3.124 14 HG21 THR 2 HG21 THR 2 1.068 -4.696 -1.034 15 HG22 THR 2 HG22 THR 2 2.406 -4.682 0.115 16 HG23 THR 2 HG23 THR 2 1.916 -6.194 -0.650 17 H LEU 3 H LEU 3 6.088 -4.670 -2.116 18 HA LEU 3 HA LEU 3 6.973 -2.856 -4.149 19 HB2 LEU 3 HB2 LEU 3 8.245 -5.514 -3.676 20 HB3 LEU 3 HB3 LEU 3 8.994 -3.972 -4.086 21 HG LEU 3 HG LEU 3 7.937 -4.834 -1.397 22 HD11 LEU 3 HD11 LEU 3 10.022 -5.729 -1.444 23 HD12 LEU 3 HD12 LEU 3 10.450 -4.090 -0.956 24 HD13 LEU 3 HD13 LEU 3 10.613 -4.578 -2.642 25 HD21 LEU 3 HD21 LEU 3 7.463 -2.652 -1.137 26 HD22 LEU 3 HD22 LEU 3 8.450 -2.164 -2.514 27 HD23 LEU 3 HD23 LEU 3 9.209 -2.485 -0.954 28 HA PRO 4 HA PRO 4 5.480 -4.823 -7.777 29 HB2 PRO 4 HB2 PRO 4 7.512 -4.351 -9.514 30 HB3 PRO 4 HB3 PRO 4 6.408 -3.086 -8.960 31 HG2 PRO 4 HG2 PRO 4 9.170 -3.741 -8.008 32 HG3 PRO 4 HG3 PRO 4 8.443 -2.156 -8.326 33 HD2 PRO 4 HD2 PRO 4 8.685 -3.172 -5.828 34 HD3 PRO 4 HD3 PRO 4 7.340 -2.115 -6.303 35 H SER 5 H SER 5 8.448 -5.835 -6.339 36 HA SER 5 HA SER 5 8.964 -8.023 -8.114 37 HB2 SER 5 HB2 SER 5 10.615 -8.716 -6.398 38 HB3 SER 5 HB3 SER 5 10.790 -7.019 -6.846 39 HG SER 5 HG SER 5 10.375 -8.045 -4.434 40 H GLY 6 H GLY 6 6.900 -7.503 -5.419 41 HA2 GLY 6 HA2 GLY 6 5.080 -9.074 -5.090 42 HA3 GLY 6 HA3 GLY 6 6.212 -10.372 -5.439 43 H HIS 7 H HIS 7 7.801 -8.150 -3.577 44 HA HIS 7 HA HIS 7 7.442 -9.801 -1.195 45 HB2 HIS 7 HB2 HIS 7 9.606 -8.160 -2.306 46 HB3 HIS 7 HB3 HIS 7 9.395 -7.973 -0.568 47 HD1 HIS 7 HD1 HIS 7 8.647 -11.300 -2.033 48 HD2 HIS 7 HD2 HIS 7 11.826 -9.375 -0.175 49 HE1 HIS 7 HE1 HIS 7 10.275 -13.120 -1.429 50 HA PRO 8 HA PRO 8 5.020 -6.843 0.969 51 HB2 PRO 8 HB2 PRO 8 5.752 -7.399 3.523 52 HB3 PRO 8 HB3 PRO 8 4.716 -8.465 2.568 53 HG2 PRO 8 HG2 PRO 8 7.653 -8.667 3.110 54 HG3 PRO 8 HG3 PRO 8 6.424 -9.945 3.116 55 HD2 PRO 8 HD2 PRO 8 8.101 -9.546 1.028 56 HD3 PRO 8 HD3 PRO 8 6.444 -10.148 0.820 57 H LYS 9 H LYS 9 5.339 -4.722 1.109 58 HA LYS 9 HA LYS 9 7.920 -3.568 1.413 59 HB2 LYS 9 HB2 LYS 9 5.904 -2.612 0.157 60 HB3 LYS 9 HB3 LYS 9 5.308 -2.100 1.731 61 HG2 LYS 9 HG2 LYS 9 7.422 -0.829 2.048 62 HG3 LYS 9 HG3 LYS 9 7.862 -1.243 0.390 63 HD2 LYS 9 HD2 LYS 9 5.558 -0.229 -0.218 64 HD3 LYS 9 HD3 LYS 9 5.652 0.523 1.377 65 HE2 LYS 9 HE2 LYS 9 7.479 1.818 0.801 66 HE3 LYS 9 HE3 LYS 9 7.963 0.738 -0.505 67 HZ1 LYS 9 HZ1 LYS 9 6.523 1.688 -1.952 68 HZ2 LYS 9 HZ2 LYS 9 6.770 3.032 -0.955 69 HZ3 LYS 9 HZ3 LYS 9 5.384 2.082 -0.764 70 H SER 10 H SER 10 5.037 -3.569 3.507 71 HA SER 10 HA SER 10 6.086 -2.157 5.648 72 HB2 SER 10 HB2 SER 10 4.306 -3.044 6.960 73 HB3 SER 10 HB3 SER 10 3.685 -2.931 5.313 74 HG SER 10 HG SER 10 3.176 -4.950 5.735 75 H ARG 11 H ARG 11 6.233 -5.636 4.986 76 HA ARG 11 HA ARG 11 7.506 -6.404 7.366 77 HB2 ARG 11 HB2 ARG 11 6.460 -7.780 5.337 78 HB3 ARG 11 HB3 ARG 11 8.147 -7.850 4.844 79 HG2 ARG 11 HG2 ARG 11 7.879 -9.785 6.078 80 HG3 ARG 11 HG3 ARG 11 8.586 -8.668 7.247 81 HD2 ARG 11 HD2 ARG 11 5.626 -8.778 7.049 82 HD3 ARG 11 HD3 ARG 11 6.448 -10.141 7.807 83 HE ARG 11 HE ARG 11 7.497 -7.879 8.979 84 HH11 ARG 11 HH11 ARG 11 4.356 -9.346 8.659 85 HH12 ARG 11 HH12 ARG 11 3.767 -8.721 10.163 86 HH21 ARG 11 HH21 ARG 11 6.733 -7.050 10.962 87 HH22 ARG 11 HH22 ARG 11 5.119 -7.414 11.472 88 H LEU 12 H LEU 12 8.841 -5.493 4.206 89 HA LEU 12 HA LEU 12 11.535 -5.952 4.765 90 HB2 LEU 12 HB2 LEU 12 9.994 -4.416 2.799 91 HB3 LEU 12 HB3 LEU 12 11.618 -3.798 3.095 92 HG LEU 12 HG LEU 12 11.605 -5.281 1.179 93 HD11 LEU 12 HD11 LEU 12 13.020 -7.178 2.696 94 HD12 LEU 12 HD12 LEU 12 13.215 -5.629 3.516 95 HD13 LEU 12 HD13 LEU 12 13.664 -5.790 1.818 96 HD21 LEU 12 HD21 LEU 12 10.166 -7.071 3.062 97 HD22 LEU 12 HD22 LEU 12 11.248 -7.809 1.880 98 HD23 LEU 12 HD23 LEU 12 9.909 -6.795 1.339 99 H ILE 13 H ILE 13 9.538 -3.086 5.323 100 HA ILE 13 HA ILE 13 11.560 -1.347 6.171 101 HB ILE 13 HB ILE 13 8.659 -1.447 7.000 102 HG12 ILE 13 HG12 ILE 13 9.111 -1.118 4.573 103 HG13 ILE 13 HG13 ILE 13 8.327 0.267 5.324 104 HG21 ILE 13 HG21 ILE 13 9.226 1.086 7.405 105 HG22 ILE 13 HG22 ILE 13 9.525 -0.121 8.655 106 HG23 ILE 13 HG23 ILE 13 10.855 0.455 7.650 107 HD11 ILE 13 HD11 ILE 13 10.112 0.890 3.751 108 HD12 ILE 13 HD12 ILE 13 10.413 1.462 5.392 109 HD13 ILE 13 HD13 ILE 13 11.277 0.053 4.777 110 H LYS 14 H LYS 14 9.525 -3.585 8.028 111 HA LYS 14 HA LYS 14 10.618 -2.916 10.558 112 HB2 LYS 14 HB2 LYS 14 9.113 -5.342 9.577 113 HB3 LYS 14 HB3 LYS 14 9.601 -5.130 11.253 114 HG2 LYS 14 HG2 LYS 14 8.025 -2.985 9.915 115 HG3 LYS 14 HG3 LYS 14 7.209 -4.449 10.467 116 HD2 LYS 14 HD2 LYS 14 7.019 -3.131 12.336 117 HD3 LYS 14 HD3 LYS 14 8.535 -3.966 12.684 118 HE2 LYS 14 HE2 LYS 14 9.815 -2.100 12.251 119 HE3 LYS 14 HE3 LYS 14 8.600 -1.381 11.196 120 HZ1 LYS 14 HZ1 LYS 14 9.020 -0.948 13.947 121 HZ2 LYS 14 HZ2 LYS 14 7.470 -1.589 13.727 122 HZ3 LYS 14 HZ3 LYS 14 7.925 -0.179 12.911 123 H LYS 15 H LYS 15 11.401 -5.369 8.147 124 HA LYS 15 HA LYS 15 13.266 -6.808 9.701 125 HB2 LYS 15 HB2 LYS 15 12.698 -6.558 6.775 126 HB3 LYS 15 HB3 LYS 15 14.173 -7.366 7.290 127 HG2 LYS 15 HG2 LYS 15 12.865 -8.952 8.595 128 HG3 LYS 15 HG3 LYS 15 11.378 -8.131 8.114 129 HD2 LYS 15 HD2 LYS 15 13.316 -9.314 6.136 130 HD3 LYS 15 HD3 LYS 15 11.959 -10.217 6.812 131 HE2 LYS 15 HE2 LYS 15 10.794 -7.865 5.987 132 HE3 LYS 15 HE3 LYS 15 12.003 -8.166 4.740 133 HZ1 LYS 15 HZ1 LYS 15 9.524 -9.304 4.900 134 HZ2 LYS 15 HZ2 LYS 15 10.561 -10.532 5.427 135 HZ3 LYS 15 HZ3 LYS 15 10.797 -9.819 3.911 136 H PHE 16 H PHE 16 13.733 -4.256 7.261 137 HA PHE 16 HA PHE 16 16.516 -4.093 7.453 138 HB2 PHE 16 HB2 PHE 16 14.431 -2.059 6.669 139 HB3 PHE 16 HB3 PHE 16 16.155 -1.712 6.601 140 HD1 PHE 16 HD2 PHE 16 17.263 -4.221 5.604 141 HD2 PHE 16 HD1 PHE 16 13.717 -2.154 4.476 142 HE1 PHE 16 HE2 PHE 16 17.380 -5.246 3.370 143 HE2 PHE 16 HE1 PHE 16 13.828 -3.177 2.240 144 HZ PHE 16 HZ PHE 16 15.662 -4.724 1.685 145 H THR 17 H THR 17 13.997 -2.778 9.469 146 HA THR 17 HA THR 17 15.431 -0.787 10.812 147 HB THR 17 HB THR 17 13.198 -2.533 11.867 148 HG1 THR 17 HG1 THR 17 11.950 -1.259 10.735 149 HG21 THR 17 HG21 THR 17 14.630 -0.173 12.992 150 HG22 THR 17 HG22 THR 17 13.983 -1.595 13.811 151 HG23 THR 17 HG23 THR 17 12.895 -0.318 13.268 152 H ALA 18 H ALA 18 15.633 -4.216 11.001 153 HA ALA 18 HA ALA 18 16.829 -4.303 13.620 154 HB1 ALA 18 HB1 ALA 18 15.584 -6.157 12.037 155 HB2 ALA 18 HB2 ALA 18 17.282 -6.617 11.898 156 HB3 ALA 18 HB3 ALA 18 16.523 -6.514 13.487 157 H LEU 19 H LEU 19 17.919 -3.357 10.619 158 HA LEU 19 HA LEU 19 20.686 -4.182 11.161 159 HB2 LEU 19 HB2 LEU 19 19.518 -3.008 8.643 160 HB3 LEU 19 HB3 LEU 19 21.153 -3.633 8.848 161 HG LEU 19 HG LEU 19 18.610 -5.256 8.926 162 HD11 LEU 19 HD11 LEU 19 20.045 -6.255 6.893 163 HD12 LEU 19 HD12 LEU 19 20.542 -4.566 6.806 164 HD13 LEU 19 HD13 LEU 19 18.834 -4.988 6.696 165 HD21 LEU 19 HD21 LEU 19 20.154 -7.188 8.956 166 HD22 LEU 19 HD22 LEU 19 20.249 -6.205 10.417 167 HD23 LEU 19 HD23 LEU 19 21.501 -6.073 9.182 168 H GLY 20 H GLY 20 18.768 -1.720 11.949 169 HA2 GLY 20 HA2 GLY 20 20.758 0.036 12.726 170 HA3 GLY 20 HA3 GLY 20 20.256 0.565 11.127 171 HA PRO 21 HA PRO 21 17.526 2.788 14.054 172 HB2 PRO 21 HB2 PRO 21 17.354 5.021 12.520 173 HB3 PRO 21 HB3 PRO 21 18.688 4.726 13.642 174 HG2 PRO 21 HG2 PRO 21 18.579 4.316 10.678 175 HG3 PRO 21 HG3 PRO 21 19.877 5.015 11.664 176 HD2 PRO 21 HD2 PRO 21 19.946 2.463 10.762 177 HD3 PRO 21 HD3 PRO 21 20.671 2.949 12.307 178 H TYR 22 H TYR 22 15.374 3.795 13.656 179 HA TYR 22 HA TYR 22 13.728 2.099 12.142 180 HB2 TYR 22 HB2 TYR 22 13.058 4.871 13.146 181 HB3 TYR 22 HB3 TYR 22 11.913 3.602 12.726 182 HD1 TYR 22 HD2 TYR 22 11.770 1.558 14.154 183 HD2 TYR 22 HD1 TYR 22 14.084 4.944 15.286 184 HE1 TYR 22 HE2 TYR 22 11.814 0.744 16.475 185 HE2 TYR 22 HE1 TYR 22 14.136 4.139 17.610 186 HH TYR 22 HH TYR 22 12.352 1.245 18.592 187 H ILE 23 H ILE 23 13.224 2.075 10.057 188 HA ILE 23 HA ILE 23 14.276 4.074 8.282 189 HB ILE 23 HB ILE 23 12.500 1.701 7.696 190 HG12 ILE 23 HG12 ILE 23 14.827 0.963 6.679 191 HG13 ILE 23 HG13 ILE 23 15.460 2.092 7.871 192 HG21 ILE 23 HG21 ILE 23 14.098 3.429 5.810 193 HG22 ILE 23 HG22 ILE 23 13.157 2.004 5.372 194 HG23 ILE 23 HG23 ILE 23 12.343 3.445 5.982 195 HD11 ILE 23 HD11 ILE 23 14.672 0.831 9.657 196 HD12 ILE 23 HD12 ILE 23 13.536 -0.063 8.647 197 HD13 ILE 23 HD13 ILE 23 15.267 -0.372 8.514 198 H ARG 24 H ARG 24 13.165 5.547 7.042 199 HA ARG 24 HA ARG 24 10.584 6.357 8.078 200 HB2 ARG 24 HB2 ARG 24 12.458 7.581 6.053 201 HB3 ARG 24 HB3 ARG 24 10.893 8.275 6.457 202 HG2 ARG 24 HG2 ARG 24 11.579 8.608 8.742 203 HG3 ARG 24 HG3 ARG 24 13.111 7.788 8.433 204 HD2 ARG 24 HD2 ARG 24 13.337 9.624 6.564 205 HD3 ARG 24 HD3 ARG 24 12.194 10.493 7.586 206 HE ARG 24 HE ARG 24 14.967 9.950 8.148 207 HH11 ARG 24 HH11 ARG 24 11.857 10.757 9.487 208 HH12 ARG 24 HH12 ARG 24 12.514 11.468 10.924 209 HH21 ARG 24 HH21 ARG 24 15.845 10.883 10.036 210 HH22 ARG 24 HH22 ARG 24 14.783 11.540 11.235 211 H GLU 25 H GLU 25 8.677 5.940 7.170 212 HA GLU 25 HA GLU 25 8.366 4.153 5.049 213 HB2 GLU 25 HB2 GLU 25 6.548 5.999 6.524 214 HB3 GLU 25 HB3 GLU 25 5.966 5.291 5.024 215 HG2 GLU 25 HG2 GLU 25 6.415 3.054 5.918 216 HG3 GLU 25 HG3 GLU 25 6.959 3.779 7.430 217 H GLY 26 H GLY 26 7.575 7.638 5.037 218 HA2 GLY 26 HA2 GLY 26 8.259 9.142 3.323 219 HA3 GLY 26 HA3 GLY 26 8.503 7.768 2.255 220 H GLN 27 H GLN 27 7.207 9.778 1.153 221 HA GLN 27 HA GLN 27 4.347 9.107 1.334 222 HB2 GLN 27 HB2 GLN 27 3.883 11.302 0.402 223 HB3 GLN 27 HB3 GLN 27 4.895 11.458 1.831 224 HG2 GLN 27 HG2 GLN 27 6.868 11.672 0.347 225 HG3 GLN 27 HG3 GLN 27 5.777 11.659 -1.038 226 HE21 GLN 27 HE21 GLN 27 6.815 13.437 1.778 227 HE22 GLN 27 HE22 GLN 27 6.167 14.964 1.297 228 H CYS 28 H CYS 28 7.110 9.299 -0.763 229 HA CYS 28 HA CYS 28 5.707 9.085 -3.228 230 HB2 CYS 28 HB2 CYS 28 8.559 8.701 -2.381 231 HB3 CYS 28 HB3 CYS 28 8.050 8.214 -3.994 232 HG CYS 28 HG CYS 28 7.355 10.711 -4.864 233 H GLU 29 H GLU 29 5.522 7.265 -4.605 234 HA GLU 29 HA GLU 29 5.619 4.682 -3.189 235 HB2 GLU 29 HB2 GLU 29 3.613 5.683 -5.214 236 HB3 GLU 29 HB3 GLU 29 3.714 4.008 -4.688 237 HG2 GLU 29 HG2 GLU 29 2.989 4.507 -2.538 238 HG3 GLU 29 HG3 GLU 29 3.370 6.220 -2.705 239 H ASP 30 H ASP 30 5.903 2.787 -4.578 240 HA ASP 30 HA ASP 30 7.196 1.616 -6.044 241 HB2 ASP 30 HB2 ASP 30 6.364 3.799 -7.966 242 HB3 ASP 30 HB3 ASP 30 6.926 2.185 -8.394 243 H ASN 31 H ASN 31 8.924 2.703 -4.547 244 HA ASN 31 HA ASN 31 10.977 3.764 -6.341 245 HB2 ASN 31 HB2 ASN 31 9.683 5.534 -4.816 246 HB3 ASN 31 HB3 ASN 31 10.847 4.969 -3.621 247 HD21 ASN 31 HD21 ASN 31 11.715 7.098 -3.638 248 HD22 ASN 31 HD22 ASN 31 12.795 7.593 -4.893 249 H ARG 32 H ARG 32 13.099 4.008 -4.834 250 HA ARG 32 HA ARG 32 13.473 1.331 -3.709 251 HB2 ARG 32 HB2 ARG 32 15.533 3.408 -4.474 252 HB3 ARG 32 HB3 ARG 32 15.868 1.759 -3.964 253 HG2 ARG 32 HG2 ARG 32 14.487 1.022 -5.965 254 HG3 ARG 32 HG3 ARG 32 14.591 2.697 -6.510 255 HD2 ARG 32 HD2 ARG 32 17.098 2.482 -6.277 256 HD3 ARG 32 HD3 ARG 32 16.842 0.752 -6.056 257 HE ARG 32 HE ARG 32 15.527 1.332 -8.370 258 HH11 ARG 32 HH11 ARG 32 18.777 1.807 -7.216 259 HH12 ARG 32 HH12 ARG 32 19.491 1.694 -8.790 260 HH21 ARG 32 HH21 ARG 32 16.456 1.181 -10.447 261 HH22 ARG 32 HH22 ARG 32 18.170 1.338 -10.628 262 H PHE 33 H PHE 33 14.202 0.968 -1.648 263 HA PHE 33 HA PHE 33 13.490 2.757 0.365 264 HB2 PHE 33 HB2 PHE 33 15.464 0.468 0.505 265 HB3 PHE 33 HB3 PHE 33 14.724 1.261 1.892 266 HD1 PHE 33 HD1 PHE 33 12.365 0.932 2.401 267 HD2 PHE 33 HD2 PHE 33 14.236 -1.086 -0.846 268 HE1 PHE 33 HE1 PHE 33 10.470 -0.633 2.286 269 HE2 PHE 33 HE2 PHE 33 12.344 -2.653 -0.967 270 HZ PHE 33 HZ PHE 33 10.457 -2.427 0.599 271 H PHE 34 H PHE 34 14.692 4.060 1.772 272 HA PHE 34 HA PHE 34 17.482 4.592 1.097 273 HB2 PHE 34 HB2 PHE 34 17.149 6.979 0.886 274 HB3 PHE 34 HB3 PHE 34 16.103 6.155 -0.266 275 HD1 PHE 34 HD2 PHE 34 13.682 6.047 0.116 276 HD2 PHE 34 HD1 PHE 34 16.255 8.260 2.684 277 HE1 PHE 34 HE2 PHE 34 11.736 7.248 1.025 278 HE2 PHE 34 HE1 PHE 34 14.314 9.464 3.598 279 HZ PHE 34 HZ PHE 34 12.051 8.960 2.768 280 H PHE 35 H PHE 35 18.677 4.855 2.868 281 HA PHE 35 HA PHE 35 17.303 5.555 5.380 282 HB2 PHE 35 HB2 PHE 35 19.773 3.834 5.234 283 HB3 PHE 35 HB3 PHE 35 18.658 4.032 6.583 284 HD1 PHE 35 HD1 PHE 35 16.078 3.731 5.081 285 HD2 PHE 35 HD2 PHE 35 19.708 1.514 4.933 286 HE1 PHE 35 HE1 PHE 35 14.830 1.744 4.342 287 HE2 PHE 35 HE2 PHE 35 18.466 -0.477 4.192 288 HZ PHE 35 HZ PHE 35 16.024 -0.363 3.895 289 H ASP 36 H ASP 36 18.580 6.689 6.963 290 HA ASP 36 HA ASP 36 20.634 8.378 5.707 291 HB2 ASP 36 HB2 ASP 36 20.098 9.857 7.783 292 HB3 ASP 36 HB3 ASP 36 18.965 9.826 6.434 293 H CYS 37 H CYS 37 22.632 7.750 6.173 294 HA CYS 37 HA CYS 37 23.179 6.627 8.836 295 HB2 CYS 37 HB2 CYS 37 24.744 6.370 6.260 296 HB3 CYS 37 HB3 CYS 37 25.225 5.675 7.803 297 HG CYS 37 HG CYS 37 24.284 3.471 6.681 298 H LEU 38 H LEU 38 23.297 8.723 9.804 299 HA LEU 38 HA LEU 38 25.344 10.560 8.905 300 HB2 LEU 38 HB2 LEU 38 23.844 10.766 11.491 301 HB3 LEU 38 HB3 LEU 38 24.531 12.057 10.507 302 HG LEU 38 HG LEU 38 22.003 10.497 10.033 303 HD11 LEU 38 HD11 LEU 38 21.479 12.295 11.374 304 HD12 LEU 38 HD12 LEU 38 21.242 12.971 9.763 305 HD13 LEU 38 HD13 LEU 38 22.718 13.328 10.660 306 HD21 LEU 38 HD21 LEU 38 22.687 10.548 7.862 307 HD22 LEU 38 HD22 LEU 38 23.736 11.945 8.106 308 HD23 LEU 38 HD23 LEU 38 21.991 12.165 7.973 309 H ALA 39 H ALA 39 27.333 10.823 9.750 310 HA ALA 39 HA ALA 39 28.045 9.178 12.091 311 HB1 ALA 39 HB1 ALA 39 29.127 9.131 9.448 312 HB2 ALA 39 HB2 ALA 39 30.375 9.655 10.580 313 HB3 ALA 39 HB3 ALA 39 29.539 8.124 10.836 314 H VAL 40 H VAL 40 29.012 12.037 10.199 315 HA VAL 40 HA VAL 40 29.561 13.443 12.705 316 HB VAL 40 HB VAL 40 31.523 13.440 10.409 317 HG11 VAL 40 HG11 VAL 40 31.964 15.443 11.367 318 HG12 VAL 40 HG12 VAL 40 31.252 14.984 12.915 319 HG13 VAL 40 HG13 VAL 40 32.876 14.440 12.494 320 HG21 VAL 40 HG21 VAL 40 31.833 11.341 11.350 321 HG22 VAL 40 HG22 VAL 40 32.993 12.335 12.230 322 HG23 VAL 40 HG23 VAL 40 31.456 11.903 12.978 323 H CYS 41 H CYS 41 29.377 15.693 12.581 324 HA CYS 41 HA CYS 41 27.767 16.621 10.346 325 HB2 CYS 41 HB2 CYS 41 27.368 18.610 11.742 326 HB3 CYS 41 HB3 CYS 41 26.998 17.124 12.608 327 HG CYS 41 HG CYS 41 28.801 17.329 14.491 328 H VAL 42 H VAL 42 28.214 18.588 9.215 329 HA VAL 42 HA VAL 42 31.012 18.878 8.583 330 HB VAL 42 HB VAL 42 30.304 20.387 6.832 331 HG11 VAL 42 HG11 VAL 42 28.145 18.630 6.274 332 HG12 VAL 42 HG12 VAL 42 29.792 18.585 5.642 333 HG13 VAL 42 HG13 VAL 42 29.391 17.715 7.123 334 HG21 VAL 42 HG21 VAL 42 27.754 20.738 6.604 335 HG22 VAL 42 HG22 VAL 42 27.708 20.372 8.329 336 HG23 VAL 42 HG23 VAL 42 28.650 21.743 7.743 337 H ASN 43 H ASN 43 28.586 20.650 10.364 338 HA ASN 43 HA ASN 43 30.441 22.161 11.812 339 HB2 ASN 43 HB2 ASN 43 30.212 23.196 9.284 340 HB3 ASN 43 HB3 ASN 43 29.024 24.147 10.172 341 HD21 ASN 43 HD21 ASN 43 31.750 24.706 9.000 342 HD22 ASN 43 HD22 ASN 43 32.613 25.471 10.286 343 H VAL 44 H VAL 44 29.446 23.581 13.345 344 HA VAL 44 HA VAL 44 26.513 23.349 13.489 345 HB VAL 44 HB VAL 44 27.699 21.774 15.061 346 HG11 VAL 44 HG11 VAL 44 29.553 23.370 15.583 347 HG12 VAL 44 HG12 VAL 44 28.407 24.290 16.560 348 HG13 VAL 44 HG13 VAL 44 28.805 22.628 16.997 349 HG21 VAL 44 HG21 VAL 44 26.274 23.590 16.868 350 HG22 VAL 44 HG22 VAL 44 25.407 23.211 15.379 351 HG23 VAL 44 HG23 VAL 44 25.936 21.911 16.447 352 H LYS 45 H LYS 45 28.989 25.414 13.139 353 HA LYS 45 HA LYS 45 28.720 27.437 14.994 354 HB2 LYS 45 HB2 LYS 45 29.677 27.222 12.231 355 HB3 LYS 45 HB3 LYS 45 29.103 28.830 12.654 356 HG2 LYS 45 HG2 LYS 45 30.612 28.394 14.790 357 HG3 LYS 45 HG3 LYS 45 31.443 27.319 13.664 358 HD2 LYS 45 HD2 LYS 45 30.782 30.139 12.893 359 HD3 LYS 45 HD3 LYS 45 32.222 29.776 13.848 360 HE2 LYS 45 HE2 LYS 45 33.066 29.691 11.710 361 HE3 LYS 45 HE3 LYS 45 32.653 28.000 11.982 362 HZ1 LYS 45 HZ1 LYS 45 31.927 29.155 9.805 363 HZ2 LYS 45 HZ2 LYS 45 30.684 29.806 10.749 364 HZ3 LYS 45 HZ3 LYS 45 30.838 28.129 10.595 365 HA PRO 46 HA PRO 46 25.226 29.437 12.321 366 HB2 PRO 46 HB2 PRO 46 24.158 27.923 10.336 367 HB3 PRO 46 HB3 PRO 46 25.547 28.988 10.091 368 HG2 PRO 46 HG2 PRO 46 25.485 26.029 10.543 369 HG3 PRO 46 HG3 PRO 46 26.458 26.965 9.394 370 HD2 PRO 46 HD2 PRO 46 27.455 26.047 11.738 371 HD3 PRO 46 HD3 PRO 46 28.003 27.564 10.997 372 H ALA 47 H ALA 47 22.778 28.721 11.721 373 HA ALA 47 HA ALA 47 21.603 27.835 14.053 374 HB1 ALA 47 HB1 ALA 47 20.714 28.723 11.570 375 HB2 ALA 47 HB2 ALA 47 19.969 27.138 11.779 376 HB3 ALA 47 HB3 ALA 47 19.729 28.391 12.995 377 HA PRO 48 HA PRO 48 21.834 23.455 14.182 378 HB2 PRO 48 HB2 PRO 48 19.379 22.771 15.119 379 HB3 PRO 48 HB3 PRO 48 20.611 23.544 16.125 380 HG2 PRO 48 HG2 PRO 48 18.255 24.767 14.740 381 HG3 PRO 48 HG3 PRO 48 18.869 25.064 16.377 382 HD2 PRO 48 HD2 PRO 48 19.376 26.732 14.305 383 HD3 PRO 48 HD3 PRO 48 20.528 26.481 15.633 384 H GLU 49 H GLU 49 18.690 24.510 12.858 385 HA GLU 49 HA GLU 49 18.453 22.134 11.245 386 HB2 GLU 49 HB2 GLU 49 16.355 23.054 10.502 387 HB3 GLU 49 HB3 GLU 49 16.486 23.284 12.240 388 HG2 GLU 49 HG2 GLU 49 17.282 25.620 11.761 389 HG3 GLU 49 HG3 GLU 49 16.832 25.342 10.080 390 H LYS 50 H LYS 50 20.302 24.815 10.945 391 HA LYS 50 HA LYS 50 20.078 24.902 8.013 392 HB2 LYS 50 HB2 LYS 50 21.126 26.885 10.022 393 HB3 LYS 50 HB3 LYS 50 21.511 27.013 8.310 394 HG2 LYS 50 HG2 LYS 50 19.110 27.134 7.799 395 HG3 LYS 50 HG3 LYS 50 18.757 27.071 9.528 396 HD2 LYS 50 HD2 LYS 50 18.721 29.338 9.177 397 HD3 LYS 50 HD3 LYS 50 20.417 29.110 9.608 398 HE2 LYS 50 HE2 LYS 50 19.603 28.918 6.745 399 HE3 LYS 50 HE3 LYS 50 19.738 30.509 7.493 400 HZ1 LYS 50 HZ1 LYS 50 21.873 30.321 6.892 401 HZ2 LYS 50 HZ2 LYS 50 21.813 28.637 6.750 402 HZ3 LYS 50 HZ3 LYS 50 22.024 29.350 8.269 403 H ARG 51 H ARG 51 21.574 23.001 9.918 404 HA ARG 51 HA ARG 51 24.259 23.350 8.761 405 HB2 ARG 51 HB2 ARG 51 25.179 22.244 10.618 406 HB3 ARG 51 HB3 ARG 51 23.948 23.297 11.303 407 HG2 ARG 51 HG2 ARG 51 22.427 21.192 11.094 408 HG3 ARG 51 HG3 ARG 51 23.965 20.329 11.033 409 HD2 ARG 51 HD2 ARG 51 24.549 21.729 13.133 410 HD3 ARG 51 HD3 ARG 51 22.808 21.984 13.243 411 HE ARG 51 HE ARG 51 23.425 19.228 12.944 412 HH11 ARG 51 HH11 ARG 51 23.407 21.828 15.259 413 HH12 ARG 51 HH12 ARG 51 23.211 20.783 16.627 414 HH21 ARG 51 HH21 ARG 51 23.167 17.842 14.737 415 HH22 ARG 51 HH22 ARG 51 23.076 18.516 16.329 416 H GLU 52 H GLU 52 25.402 21.398 8.115 417 HA GLU 52 HA GLU 52 23.551 19.338 7.109 418 HB2 GLU 52 HB2 GLU 52 25.885 20.712 5.898 419 HB3 GLU 52 HB3 GLU 52 25.699 19.003 5.531 420 HG2 GLU 52 HG2 GLU 52 23.778 19.319 4.342 421 HG3 GLU 52 HG3 GLU 52 23.332 20.771 5.237 422 H PHE 53 H PHE 53 24.627 17.183 6.732 423 HA PHE 53 HA PHE 53 26.784 16.600 8.614 424 HB2 PHE 53 HB2 PHE 53 25.254 14.486 9.192 425 HB3 PHE 53 HB3 PHE 53 25.171 15.985 10.112 426 HD1 PHE 53 HD1 PHE 53 23.491 13.870 7.646 427 HD2 PHE 53 HD2 PHE 53 23.269 17.450 9.938 428 HE1 PHE 53 HE1 PHE 53 21.093 14.052 7.124 429 HE2 PHE 53 HE2 PHE 53 20.871 17.637 9.420 430 HZ PHE 53 HZ PHE 53 19.780 15.937 8.010 431 H TRP 54 H TRP 54 27.943 14.712 8.153 432 HA TRP 54 HA TRP 54 27.831 13.910 5.386 433 HB2 TRP 54 HB2 TRP 54 29.652 13.000 7.625 434 HB3 TRP 54 HB3 TRP 54 29.858 12.607 5.920 435 HD1 TRP 54 HD1 TRP 54 30.898 15.085 8.444 436 HE1 TRP 54 HE1 TRP 54 32.055 17.093 7.323 437 HE3 TRP 54 HE3 TRP 54 29.588 14.169 3.588 438 HZ2 TRP 54 HZ2 TRP 54 32.370 18.148 4.724 439 HZ3 TRP 54 HZ3 TRP 54 30.358 15.726 1.845 440 HH2 TRP 54 HH2 TRP 54 31.719 17.674 2.403 441 H GLY 55 H GLY 55 27.855 11.633 4.722 442 HA2 GLY 55 HA2 GLY 55 27.351 9.367 6.033 443 HA3 GLY 55 HA3 GLY 55 25.789 10.163 6.151 444 H TRP 56 H TRP 56 26.176 7.697 4.875 445 HA TRP 56 HA TRP 56 25.598 8.439 2.084 446 HB2 TRP 56 HB2 TRP 56 26.714 6.504 1.276 447 HB3 TRP 56 HB3 TRP 56 27.811 7.242 2.440 448 HD1 TRP 56 HD1 TRP 56 27.668 6.057 5.014 449 HE1 TRP 56 HE1 TRP 56 27.519 3.549 5.570 450 HE3 TRP 56 HE3 TRP 56 25.951 4.330 0.519 451 HZ2 TRP 56 HZ2 TRP 56 26.773 1.155 4.275 452 HZ3 TRP 56 HZ3 TRP 56 25.546 1.917 0.260 453 HH2 TRP 56 HH2 TRP 56 25.949 0.364 2.100 454 H TRP 57 H TRP 57 23.745 7.676 1.244 455 HA TRP 57 HA TRP 57 21.942 6.253 2.999 456 HB2 TRP 57 HB2 TRP 57 20.283 6.619 1.198 457 HB3 TRP 57 HB3 TRP 57 21.074 8.113 1.694 458 HD1 TRP 57 HD1 TRP 57 20.774 5.721 -1.263 459 HE1 TRP 57 HE1 TRP 57 21.774 6.852 -3.348 460 HE3 TRP 57 HE3 TRP 57 22.827 9.844 0.955 461 HZ2 TRP 57 HZ2 TRP 57 23.239 9.183 -3.970 462 HZ3 TRP 57 HZ3 TRP 57 24.011 11.476 -0.456 463 HH2 TRP 57 HH2 TRP 57 24.212 11.150 -2.867 464 H MET 58 H MET 58 20.515 4.520 1.873 465 HA MET 58 HA MET 58 22.217 2.713 0.294 466 HB2 MET 58 HB2 MET 58 21.126 2.296 2.954 467 HB3 MET 58 HB3 MET 58 20.596 1.051 1.832 468 HG2 MET 58 HG2 MET 58 23.466 1.736 1.787 469 HG3 MET 58 HG3 MET 58 22.868 0.906 3.222 470 HE1 MET 58 HE1 MET 58 20.509 -1.201 1.633 471 HE2 MET 58 HE2 MET 58 21.674 -2.443 2.089 472 HE3 MET 58 HE3 MET 58 21.393 -1.064 3.153 473 H GLU 59 H GLU 59 21.262 2.509 -1.621 474 HA GLU 59 HA GLU 59 18.325 2.283 -1.703 475 HB2 GLU 59 HB2 GLU 59 18.278 3.382 -3.762 476 HB3 GLU 59 HB3 GLU 59 19.491 4.273 -2.854 477 HG2 GLU 59 HG2 GLU 59 20.034 2.148 -4.915 478 HG3 GLU 59 HG3 GLU 59 20.200 3.887 -5.146 479 H LEU 60 H LEU 60 17.471 0.455 -2.466 480 HA LEU 60 HA LEU 60 19.122 -1.307 -4.132 481 HB2 LEU 60 HB2 LEU 60 18.123 -3.241 -2.813 482 HB3 LEU 60 HB3 LEU 60 19.417 -2.317 -2.052 483 HG LEU 60 HG LEU 60 16.616 -1.542 -1.431 484 HD11 LEU 60 HD11 LEU 60 17.119 -3.369 0.519 485 HD12 LEU 60 HD12 LEU 60 17.749 -4.192 -0.908 486 HD13 LEU 60 HD13 LEU 60 16.073 -3.643 -0.875 487 HD21 LEU 60 HD21 LEU 60 19.309 -1.332 -0.263 488 HD22 LEU 60 HD22 LEU 60 18.003 -1.618 0.887 489 HD23 LEU 60 HD23 LEU 60 17.944 -0.218 -0.184 490 H GLU 61 H GLU 61 17.866 -2.937 -5.295 491 HA GLU 61 HA GLU 61 15.043 -2.183 -5.645 492 HB2 GLU 61 HB2 GLU 61 16.948 -1.580 -7.480 493 HB3 GLU 61 HB3 GLU 61 16.461 -3.176 -8.037 494 HG2 GLU 61 HG2 GLU 61 14.188 -2.469 -8.277 495 HG3 GLU 61 HG3 GLU 61 14.547 -0.912 -7.532 496 H ALA 62 H ALA 62 13.875 -3.855 -4.974 497 HA ALA 62 HA ALA 62 14.794 -6.492 -4.720 498 HB1 ALA 62 HB1 ALA 62 11.885 -6.040 -5.067 499 HB2 ALA 62 HB2 ALA 62 12.753 -6.961 -3.838 500 HB3 ALA 62 HB3 ALA 62 12.686 -5.202 -3.738 501 H GLN 63 H GLN 63 15.378 -7.780 -6.337 502 HA GLN 63 HA GLN 63 14.336 -7.467 -8.995 503 HB2 GLN 63 HB2 GLN 63 16.521 -8.905 -7.711 504 HB3 GLN 63 HB3 GLN 63 15.723 -9.868 -8.947 505 HG2 GLN 63 HG2 GLN 63 16.962 -7.149 -9.299 506 HG3 GLN 63 HG3 GLN 63 17.576 -8.683 -9.912 507 HE21 GLN 63 HE21 GLN 63 15.586 -9.895 -11.082 508 HE22 GLN 63 HE22 GLN 63 14.875 -8.942 -12.335 509 H GLU 64 H GLU 64 13.938 -9.829 -10.088 510 HA GLU 64 HA GLU 64 11.351 -10.545 -9.437 511 HB2 GLU 64 HB2 GLU 64 13.454 -11.575 -11.170 512 HB3 GLU 64 HB3 GLU 64 12.418 -12.854 -10.550 513 HG2 GLU 64 HG2 GLU 64 10.560 -12.069 -11.633 514 HG3 GLU 64 HG3 GLU 64 11.157 -10.411 -11.686 515 H LYS 65 H LYS 65 14.212 -12.591 -8.834 516 HA LYS 65 HA LYS 65 12.921 -13.517 -6.357 517 HB2 LYS 65 HB2 LYS 65 13.390 -15.061 -8.676 518 HB3 LYS 65 HB3 LYS 65 14.576 -15.580 -7.484 519 HG2 LYS 65 HG2 LYS 65 11.834 -15.289 -6.470 520 HG3 LYS 65 HG3 LYS 65 12.068 -16.560 -7.673 521 HD2 LYS 65 HD2 LYS 65 13.680 -17.658 -6.346 522 HD3 LYS 65 HD3 LYS 65 13.867 -16.262 -5.281 523 HE2 LYS 65 HE2 LYS 65 12.537 -17.579 -3.971 524 HE3 LYS 65 HE3 LYS 65 11.300 -16.683 -4.851 525 HZ1 LYS 65 HZ1 LYS 65 10.966 -19.146 -4.722 526 HZ2 LYS 65 HZ2 LYS 65 12.309 -19.325 -5.734 527 HZ3 LYS 65 HZ3 LYS 65 10.937 -18.503 -6.286 528 H ARG 66 H ARG 66 14.798 -11.468 -6.466 529 HA ARG 66 HA ARG 66 16.756 -12.439 -4.649 530 HB2 ARG 66 HB2 ARG 66 18.759 -12.088 -5.914 531 HB3 ARG 66 HB3 ARG 66 17.729 -13.175 -6.837 532 HG2 ARG 66 HG2 ARG 66 16.974 -11.197 -8.166 533 HG3 ARG 66 HG3 ARG 66 18.209 -10.249 -7.334 534 HD2 ARG 66 HD2 ARG 66 19.939 -11.320 -8.392 535 HD3 ARG 66 HD3 ARG 66 19.013 -12.800 -8.637 536 HE ARG 66 HE ARG 66 17.983 -10.609 -10.153 537 HH11 ARG 66 HH11 ARG 66 20.441 -13.073 -10.076 538 HH12 ARG 66 HH12 ARG 66 20.630 -13.122 -11.798 539 HH21 ARG 66 HH21 ARG 66 18.222 -10.665 -12.421 540 HH22 ARG 66 HH22 ARG 66 19.367 -11.751 -13.130 541 H PHE 67 H PHE 67 18.541 -10.571 -4.412 542 HA PHE 67 HA PHE 67 17.159 -7.981 -4.589 543 HB2 PHE 67 HB2 PHE 67 18.059 -9.416 -2.194 544 HB3 PHE 67 HB3 PHE 67 18.637 -7.755 -2.280 545 HD1 PHE 67 HD1 PHE 67 15.438 -9.503 -3.096 546 HD2 PHE 67 HD2 PHE 67 17.366 -6.301 -1.060 547 HE1 PHE 67 HE1 PHE 67 13.255 -8.707 -2.288 548 HE2 PHE 67 HE2 PHE 67 15.186 -5.499 -0.248 549 HZ PHE 67 HZ PHE 67 13.126 -6.702 -0.863 550 H THR 68 H THR 68 18.527 -6.135 -4.658 551 HA THR 68 HA THR 68 21.367 -6.679 -5.177 552 HB THR 68 HB THR 68 20.270 -6.533 -7.361 553 HG1 THR 68 HG1 THR 68 21.920 -5.401 -8.071 554 HG21 THR 68 HG21 THR 68 18.758 -4.967 -7.945 555 HG22 THR 68 HG22 THR 68 19.640 -3.673 -7.134 556 HG23 THR 68 HG23 THR 68 18.583 -4.735 -6.206 557 H TYR 69 H TYR 69 22.780 -5.088 -4.550 558 HA TYR 69 HA TYR 69 21.638 -2.627 -3.422 559 HB2 TYR 69 HB2 TYR 69 23.715 -4.367 -2.076 560 HB3 TYR 69 HB3 TYR 69 23.150 -2.808 -1.487 561 HD1 TYR 69 HD2 TYR 69 22.018 -6.261 -2.265 562 HD2 TYR 69 HD1 TYR 69 21.250 -2.668 -0.119 563 HE1 TYR 69 HE2 TYR 69 20.213 -7.389 -1.034 564 HE2 TYR 69 HE1 TYR 69 19.444 -3.787 1.119 565 HH TYR 69 HH TYR 69 18.053 -5.636 1.076 566 H ARG 70 H ARG 70 23.493 -1.058 -2.845 567 HA ARG 70 HA ARG 70 25.838 -1.295 -4.529 568 HB2 ARG 70 HB2 ARG 70 23.661 -0.171 -5.701 569 HB3 ARG 70 HB3 ARG 70 24.406 1.248 -4.975 570 HG2 ARG 70 HG2 ARG 70 25.472 1.288 -6.967 571 HG3 ARG 70 HG3 ARG 70 26.571 0.204 -6.111 572 HD2 ARG 70 HD2 ARG 70 26.015 -0.664 -8.325 573 HD3 ARG 70 HD3 ARG 70 25.413 -1.725 -7.051 574 HE ARG 70 HE ARG 70 23.280 -1.302 -7.760 575 HH11 ARG 70 HH11 ARG 70 25.419 1.097 -9.098 576 HH12 ARG 70 HH12 ARG 70 24.208 1.791 -10.125 577 HH21 ARG 70 HH21 ARG 70 21.678 -0.397 -9.108 578 HH22 ARG 70 HH22 ARG 70 22.081 0.941 -10.129 579 H TYR 71 H TYR 71 27.366 0.489 -4.185 580 HA TYR 71 HA TYR 71 26.985 1.749 -1.548 581 HB2 TYR 71 HB2 TYR 71 29.554 1.660 -1.464 582 HB3 TYR 71 HB3 TYR 71 28.677 0.155 -1.211 583 HD1 TYR 71 HD1 TYR 71 28.598 -1.545 -3.016 584 HD2 TYR 71 HD2 TYR 71 30.999 1.953 -3.342 585 HE1 TYR 71 HE1 TYR 71 29.876 -2.599 -4.833 586 HE2 TYR 71 HE2 TYR 71 32.283 0.909 -5.161 587 HH TYR 71 HH TYR 71 32.646 -0.961 -6.322 588 H GLN 72 H GLN 72 26.631 3.849 -1.822 589 HA GLN 72 HA GLN 72 28.423 5.345 -3.599 590 HB2 GLN 72 HB2 GLN 72 25.416 5.440 -3.561 591 HB3 GLN 72 HB3 GLN 72 26.368 6.802 -4.137 592 HG2 GLN 72 HG2 GLN 72 27.458 5.233 -5.757 593 HG3 GLN 72 HG3 GLN 72 26.276 4.020 -5.270 594 HE21 GLN 72 HE21 GLN 72 26.695 5.228 -7.874 595 HE22 GLN 72 HE22 GLN 72 25.201 5.977 -8.310 596 H PHE 73 H PHE 73 29.218 7.163 -2.726 597 HA PHE 73 HA PHE 73 28.374 7.847 -0.022 598 HB2 PHE 73 HB2 PHE 73 30.770 8.545 -1.702 599 HB3 PHE 73 HB3 PHE 73 30.415 9.419 -0.216 600 HD1 PHE 73 HD2 PHE 73 30.525 5.856 -1.333 601 HD2 PHE 73 HD1 PHE 73 31.589 8.732 1.619 602 HE1 PHE 73 HE2 PHE 73 31.657 4.099 -0.035 603 HE2 PHE 73 HE1 PHE 73 32.724 6.980 2.921 604 HZ PHE 73 HZ PHE 73 32.760 4.660 2.095 605 H GLY 74 H GLY 74 28.268 10.193 0.566 606 HA2 GLY 74 HA2 GLY 74 27.880 12.264 -1.238 607 HA3 GLY 74 HA3 GLY 74 26.316 11.487 -1.043 608 H LEU 75 H LEU 75 25.686 13.614 -0.208 609 HA LEU 75 HA LEU 75 26.041 13.690 2.686 610 HB2 LEU 75 HB2 LEU 75 27.701 15.231 2.134 611 HB3 LEU 75 HB3 LEU 75 26.768 15.894 0.793 612 HG LEU 75 HG LEU 75 25.659 16.263 3.517 613 HD11 LEU 75 HD11 LEU 75 27.786 18.146 2.600 614 HD12 LEU 75 HD12 LEU 75 28.225 16.698 3.505 615 HD13 LEU 75 HD13 LEU 75 27.134 17.886 4.218 616 HD21 LEU 75 HD21 LEU 75 24.905 17.104 1.091 617 HD22 LEU 75 HD22 LEU 75 25.959 18.444 1.543 618 HD23 LEU 75 HD23 LEU 75 24.588 18.017 2.567 619 H PHE 76 H PHE 76 24.317 14.592 3.801 620 HA PHE 76 HA PHE 76 21.878 14.888 2.222 621 HB2 PHE 76 HB2 PHE 76 22.202 14.695 5.224 622 HB3 PHE 76 HB3 PHE 76 20.689 14.605 4.328 623 HD1 PHE 76 HD2 PHE 76 20.864 12.752 2.327 624 HD2 PHE 76 HD1 PHE 76 22.970 12.701 6.026 625 HE1 PHE 76 HE2 PHE 76 21.116 10.312 2.146 626 HE2 PHE 76 HE1 PHE 76 23.226 10.260 5.850 627 HZ PHE 76 HZ PHE 76 22.297 9.062 3.909 628 H ASP 77 H ASP 77 21.108 16.823 1.734 629 HA ASP 77 HA ASP 77 22.137 19.172 3.122 630 HB2 ASP 77 HB2 ASP 77 21.968 18.906 0.555 631 HB3 ASP 77 HB3 ASP 77 20.252 19.230 0.780 632 H LYS 78 H LYS 78 20.497 20.996 3.437 633 HA LYS 78 HA LYS 78 18.409 19.986 5.151 634 HB2 LYS 78 HB2 LYS 78 18.000 22.406 5.621 635 HB3 LYS 78 HB3 LYS 78 19.651 21.886 5.933 636 HG2 LYS 78 HG2 LYS 78 20.466 22.966 4.009 637 HG3 LYS 78 HG3 LYS 78 18.842 23.194 3.355 638 HD2 LYS 78 HD2 LYS 78 19.467 24.397 6.002 639 HD3 LYS 78 HD3 LYS 78 20.154 25.155 4.563 640 HE2 LYS 78 HE2 LYS 78 17.717 24.981 3.653 641 HE3 LYS 78 HE3 LYS 78 17.290 24.830 5.357 642 HZ1 LYS 78 HZ1 LYS 78 18.475 27.117 3.937 643 HZ2 LYS 78 HZ2 LYS 78 18.763 26.928 5.593 644 HZ3 LYS 78 HZ3 LYS 78 17.178 27.086 5.024 645 H GLU 79 H GLU 79 18.673 21.256 1.943 646 HA GLU 79 HA GLU 79 15.894 21.942 1.677 647 HB2 GLU 79 HB2 GLU 79 18.025 21.560 -0.434 648 HB3 GLU 79 HB3 GLU 79 16.432 22.251 -0.708 649 HG2 GLU 79 HG2 GLU 79 16.947 24.217 0.348 650 HG3 GLU 79 HG3 GLU 79 18.197 23.479 1.348 651 H GLY 80 H GLY 80 17.581 19.050 1.740 652 HA2 GLY 80 HA2 GLY 80 16.828 16.890 1.444 653 HA3 GLY 80 HA3 GLY 80 15.267 17.548 0.977 654 H ASN 81 H ASN 81 17.984 18.748 -0.732 655 HA ASN 81 HA ASN 81 17.150 17.204 -3.086 656 HB2 ASN 81 HB2 ASN 81 18.447 19.890 -2.733 657 HB3 ASN 81 HB3 ASN 81 18.585 19.032 -4.265 658 HD21 ASN 81 HD21 ASN 81 17.021 21.446 -3.000 659 HD22 ASN 81 HD22 ASN 81 15.460 21.278 -3.721 660 H TRP 82 H TRP 82 18.561 15.966 -4.234 661 HA TRP 82 HA TRP 82 20.717 14.770 -2.993 662 HB2 TRP 82 HB2 TRP 82 21.399 14.080 -5.346 663 HB3 TRP 82 HB3 TRP 82 19.758 13.667 -4.860 664 HD1 TRP 82 HD1 TRP 82 21.691 15.967 -7.226 665 HE1 TRP 82 HE1 TRP 82 20.056 16.910 -8.976 666 HE3 TRP 82 HE3 TRP 82 17.302 14.253 -5.243 667 HZ2 TRP 82 HZ2 TRP 82 17.274 16.925 -9.453 668 HZ3 TRP 82 HZ3 TRP 82 15.198 14.776 -6.407 669 HH2 TRP 82 HH2 TRP 82 15.187 16.085 -8.468 670 H THR 83 H THR 83 22.674 15.461 -2.469 671 HA THR 83 HA THR 83 24.089 17.310 -4.229 672 HB THR 83 HB THR 83 24.072 17.921 -1.291 673 HG1 THR 83 HG1 THR 83 22.185 18.748 -3.250 674 HG21 THR 83 HG21 THR 83 25.462 18.914 -3.493 675 HG22 THR 83 HG22 THR 83 25.363 19.642 -1.889 676 HG23 THR 83 HG23 THR 83 24.233 20.131 -3.151 677 H VAL 84 H VAL 84 25.815 16.088 -4.689 678 HA VAL 84 HA VAL 84 27.078 14.495 -2.593 679 HB VAL 84 HB VAL 84 28.505 13.627 -4.455 680 HG11 VAL 84 HG11 VAL 84 26.282 12.641 -3.670 681 HG12 VAL 84 HG12 VAL 84 25.598 13.329 -5.144 682 HG13 VAL 84 HG13 VAL 84 26.886 12.129 -5.245 683 HG21 VAL 84 HG21 VAL 84 26.845 14.405 -6.636 684 HG22 VAL 84 HG22 VAL 84 27.420 15.857 -5.817 685 HG23 VAL 84 HG23 VAL 84 28.575 14.666 -6.416 686 H VAL 85 H VAL 85 28.728 15.265 -1.465 687 HA VAL 85 HA VAL 85 30.519 17.230 -2.731 688 HB VAL 85 HB VAL 85 30.797 18.094 -0.284 689 HG11 VAL 85 HG11 VAL 85 28.192 18.886 -1.496 690 HG12 VAL 85 HG12 VAL 85 29.478 19.893 -0.827 691 HG13 VAL 85 HG13 VAL 85 29.676 19.145 -2.412 692 HG21 VAL 85 HG21 VAL 85 27.930 17.493 0.061 693 HG22 VAL 85 HG22 VAL 85 29.037 16.141 0.302 694 HG23 VAL 85 HG23 VAL 85 29.219 17.610 1.260 695 HA PRO 86 HA PRO 86 33.890 14.736 -1.438 696 HB2 PRO 86 HB2 PRO 86 35.770 16.604 -0.845 697 HB3 PRO 86 HB3 PRO 86 35.269 16.237 -2.500 698 HG2 PRO 86 HG2 PRO 86 34.414 18.484 -0.717 699 HG3 PRO 86 HG3 PRO 86 34.829 18.519 -2.440 700 HD2 PRO 86 HD2 PRO 86 32.269 18.498 -1.558 701 HD3 PRO 86 HD3 PRO 86 32.760 17.734 -3.084 702 H ILE 87 H ILE 87 34.790 13.826 0.367 703 HA ILE 87 HA ILE 87 33.779 14.755 2.924 704 HB ILE 87 HB ILE 87 35.451 12.315 2.315 705 HG12 ILE 87 HG12 ILE 87 33.264 12.323 1.142 706 HG13 ILE 87 HG13 ILE 87 33.371 11.060 2.363 707 HG21 ILE 87 HG21 ILE 87 35.695 12.395 4.554 708 HG22 ILE 87 HG22 ILE 87 34.304 13.456 4.773 709 HG23 ILE 87 HG23 ILE 87 34.064 11.723 4.551 710 HD11 ILE 87 HD11 ILE 87 31.404 13.052 2.074 711 HD12 ILE 87 HD12 ILE 87 31.538 11.820 3.329 712 HD13 ILE 87 HD13 ILE 87 32.285 13.400 3.561 713 H ASN 88 H ASN 88 34.887 16.158 4.102 714 HA ASN 88 HA ASN 88 37.744 16.498 3.681 715 HB2 ASN 88 HB2 ASN 88 36.074 18.421 3.899 716 HB3 ASN 88 HB3 ASN 88 36.018 18.039 5.617 717 HD21 ASN 88 HD21 ASN 88 38.343 18.685 3.023 718 HD22 ASN 88 HD22 ASN 88 39.441 19.594 4.000 719 H GLU 89 H GLU 89 39.300 16.369 5.336 720 HA GLU 89 HA GLU 89 40.325 15.489 7.167 721 HB2 GLU 89 HB2 GLU 89 37.889 16.528 8.118 722 HB3 GLU 89 HB3 GLU 89 38.053 14.939 8.853 723 HG2 GLU 89 HG2 GLU 89 39.094 16.287 10.391 724 HG3 GLU 89 HG3 GLU 89 40.454 15.724 9.421 725 H THR 90 H THR 90 41.120 13.516 6.915 726 HA THR 90 HA THR 90 39.826 11.302 5.897 727 HB THR 90 HB THR 90 42.267 11.445 6.062 728 HG1 THR 90 HG1 THR 90 42.577 9.263 6.651 729 HG21 THR 90 HG21 THR 90 42.363 12.457 8.321 730 HG22 THR 90 HG22 THR 90 43.424 11.057 8.156 731 HG23 THR 90 HG23 THR 90 41.888 10.904 9.009 732 H GLU 91 H GLU 91 39.960 12.453 9.199 733 HA GLU 91 HA GLU 91 39.179 10.197 10.599 734 HB2 GLU 91 HB2 GLU 91 38.071 11.861 12.182 735 HB3 GLU 91 HB3 GLU 91 39.786 12.087 11.867 736 HG2 GLU 91 HG2 GLU 91 39.408 13.946 10.500 737 HG3 GLU 91 HG3 GLU 91 37.695 13.571 10.317 738 H VAL 92 H VAL 92 37.243 12.426 8.693 739 HA VAL 92 HA VAL 92 34.735 11.255 9.494 740 HB VAL 92 HB VAL 92 35.354 13.169 7.239 741 HG11 VAL 92 HG11 VAL 92 33.293 12.689 6.537 742 HG12 VAL 92 HG12 VAL 92 32.939 11.744 7.985 743 HG13 VAL 92 HG13 VAL 92 32.713 13.494 7.995 744 HG21 VAL 92 HG21 VAL 92 35.725 14.558 8.969 745 HG22 VAL 92 HG22 VAL 92 33.966 14.587 9.088 746 HG23 VAL 92 HG23 VAL 92 34.903 13.509 10.123 747 H VAL 93 H VAL 93 36.993 10.919 6.838 748 HA VAL 93 HA VAL 93 35.265 9.409 5.146 749 HB VAL 93 HB VAL 93 37.710 10.610 4.806 750 HG11 VAL 93 HG11 VAL 93 38.823 8.687 5.875 751 HG12 VAL 93 HG12 VAL 93 38.151 7.631 4.632 752 HG13 VAL 93 HG13 VAL 93 39.300 8.894 4.190 753 HG21 VAL 93 HG21 VAL 93 37.428 8.862 2.643 754 HG22 VAL 93 HG22 VAL 93 35.792 9.137 3.242 755 HG23 VAL 93 HG23 VAL 93 36.803 10.506 2.777 756 H GLU 94 H GLU 94 37.574 8.612 7.669 757 HA GLU 94 HA GLU 94 37.633 5.812 7.149 758 HB2 GLU 94 HB2 GLU 94 38.739 5.630 9.319 759 HB3 GLU 94 HB3 GLU 94 39.430 6.942 8.374 760 HG2 GLU 94 HG2 GLU 94 38.368 8.583 9.688 761 HG3 GLU 94 HG3 GLU 94 37.313 7.395 10.452 762 H ARG 95 H ARG 95 35.554 7.918 8.979 763 HA ARG 95 HA ARG 95 34.324 5.870 10.545 764 HB2 ARG 95 HB2 ARG 95 34.246 8.112 11.377 765 HB3 ARG 95 HB3 ARG 95 33.518 8.702 9.888 766 HG2 ARG 95 HG2 ARG 95 31.861 8.591 11.635 767 HG3 ARG 95 HG3 ARG 95 31.493 7.404 10.383 768 HD2 ARG 95 HD2 ARG 95 31.159 6.277 12.418 769 HD3 ARG 95 HD3 ARG 95 32.727 5.721 11.832 770 HE ARG 95 HE ARG 95 33.089 7.934 13.533 771 HH11 ARG 95 HH11 ARG 95 32.178 4.575 13.626 772 HH12 ARG 95 HH12 ARG 95 32.752 4.330 15.242 773 HH21 ARG 95 HH21 ARG 95 33.849 7.623 15.661 774 HH22 ARG 95 HH22 ARG 95 33.701 6.064 16.399 775 H LEU 96 H LEU 96 33.558 7.481 7.499 776 HA LEU 96 HA LEU 96 31.008 6.280 7.161 777 HB2 LEU 96 HB2 LEU 96 32.882 7.852 5.500 778 HB3 LEU 96 HB3 LEU 96 31.713 6.853 4.638 779 HG LEU 96 HG LEU 96 30.936 9.157 4.884 780 HD11 LEU 96 HD11 LEU 96 28.854 8.395 4.991 781 HD12 LEU 96 HD12 LEU 96 29.025 7.986 6.697 782 HD13 LEU 96 HD13 LEU 96 29.520 6.831 5.461 783 HD21 LEU 96 HD21 LEU 96 31.953 9.921 6.859 784 HD22 LEU 96 HD22 LEU 96 31.307 8.584 7.810 785 HD23 LEU 96 HD23 LEU 96 30.229 9.854 7.228 786 H GLU 97 H GLU 97 34.259 5.454 6.037 787 HA GLU 97 HA GLU 97 33.485 3.271 4.414 788 HB2 GLU 97 HB2 GLU 97 35.624 4.086 3.963 789 HB3 GLU 97 HB3 GLU 97 36.066 4.147 5.664 790 HG2 GLU 97 HG2 GLU 97 36.280 1.766 5.760 791 HG3 GLU 97 HG3 GLU 97 35.641 1.598 4.126 792 H TYR 98 H TYR 98 34.332 3.560 7.816 793 HA TYR 98 HA TYR 98 34.587 0.837 8.422 794 HB2 TYR 98 HB2 TYR 98 35.256 2.692 9.933 795 HB3 TYR 98 HB3 TYR 98 33.555 3.032 10.231 796 HD1 TYR 98 HD2 TYR 98 32.140 1.173 11.277 797 HD2 TYR 98 HD1 TYR 98 36.394 1.106 11.224 798 HE1 TYR 98 HE2 TYR 98 32.132 -0.460 13.116 799 HE2 TYR 98 HE1 TYR 98 36.397 -0.528 13.062 800 HH TYR 98 HH TYR 98 33.871 -2.329 13.926 801 H THR 99 H THR 99 31.753 2.974 8.674 802 HA THR 99 HA THR 99 29.992 0.859 9.448 803 HB THR 99 HB THR 99 28.387 2.892 8.430 804 HG1 THR 99 HG1 THR 99 30.523 4.110 9.850 805 HG21 THR 99 HG21 THR 99 29.356 3.016 11.250 806 HG22 THR 99 HG22 THR 99 28.505 1.571 10.704 807 HG23 THR 99 HG23 THR 99 27.716 3.145 10.617 808 H LEU 100 H LEU 100 30.729 2.517 6.419 809 HA LEU 100 HA LEU 100 28.685 1.386 4.858 810 HB2 LEU 100 HB2 LEU 100 29.831 3.265 4.004 811 HB3 LEU 100 HB3 LEU 100 31.399 2.480 4.179 812 HG LEU 100 HG LEU 100 29.803 0.932 2.394 813 HD11 LEU 100 HD11 LEU 100 29.940 2.965 0.644 814 HD12 LEU 100 HD12 LEU 100 29.531 3.854 2.111 815 HD13 LEU 100 HD13 LEU 100 28.483 2.552 1.548 816 HD21 LEU 100 HD21 LEU 100 32.285 1.090 2.545 817 HD22 LEU 100 HD22 LEU 100 32.180 2.695 1.820 818 HD23 LEU 100 HD23 LEU 100 31.651 1.280 0.910 819 H ARG 101 H ARG 101 32.084 0.399 5.256 820 HA ARG 101 HA ARG 101 31.966 -1.871 3.620 821 HB2 ARG 101 HB2 ARG 101 33.997 -0.657 4.729 822 HB3 ARG 101 HB3 ARG 101 33.716 -1.781 6.052 823 HG2 ARG 101 HG2 ARG 101 33.727 -3.514 4.018 824 HG3 ARG 101 HG3 ARG 101 34.773 -2.265 3.339 825 HD2 ARG 101 HD2 ARG 101 35.231 -3.234 6.128 826 HD3 ARG 101 HD3 ARG 101 35.789 -4.202 4.764 827 HE ARG 101 HE ARG 101 36.708 -1.647 4.300 828 HH11 ARG 101 HH11 ARG 101 37.077 -4.063 6.780 829 HH12 ARG 101 HH12 ARG 101 38.675 -3.555 7.219 830 HH21 ARG 101 HH21 ARG 101 38.810 -0.969 4.870 831 HH22 ARG 101 HH22 ARG 101 39.659 -1.794 6.132 832 H GLU 102 H GLU 102 31.271 -1.438 7.053 833 HA GLU 102 HA GLU 102 30.886 -4.216 7.586 834 HB2 GLU 102 HB2 GLU 102 30.282 -1.682 9.076 835 HB3 GLU 102 HB3 GLU 102 29.663 -3.221 9.656 836 HG2 GLU 102 HG2 GLU 102 32.545 -2.453 9.273 837 HG3 GLU 102 HG3 GLU 102 31.703 -2.720 10.798 838 H PHE 103 H PHE 103 28.870 -1.623 6.441 839 HA PHE 103 HA PHE 103 26.340 -2.636 7.028 840 HB2 PHE 103 HB2 PHE 103 27.249 -0.405 5.786 841 HB3 PHE 103 HB3 PHE 103 26.640 -1.309 4.403 842 HD1 PHE 103 HD2 PHE 103 24.236 -2.181 4.540 843 HD2 PHE 103 HD1 PHE 103 25.802 0.816 7.124 844 HE1 PHE 103 HE2 PHE 103 21.949 -1.445 5.066 845 HE2 PHE 103 HE1 PHE 103 23.517 1.557 7.656 846 HZ PHE 103 HZ PHE 103 21.587 0.427 6.625 847 H HIS 104 H HIS 104 28.360 -3.138 4.148 848 HA HIS 104 HA HIS 104 26.619 -4.727 2.682 849 HB2 HIS 104 HB2 HIS 104 28.450 -4.176 1.425 850 HB3 HIS 104 HB3 HIS 104 29.568 -4.368 2.772 851 HD1 HIS 104 HD1 HIS 104 27.275 -6.878 1.051 852 HD2 HIS 104 HD2 HIS 104 31.271 -6.330 2.047 853 HE1 HIS 104 HE1 HIS 104 28.446 -8.979 0.314 854 H GLU 105 H GLU 105 28.888 -5.632 5.236 855 HA GLU 105 HA GLU 105 28.442 -8.437 4.989 856 HB2 GLU 105 HB2 GLU 105 29.910 -6.643 6.816 857 HB3 GLU 105 HB3 GLU 105 29.358 -8.152 7.530 858 HG2 GLU 105 HG2 GLU 105 31.560 -8.506 6.739 859 HG3 GLU 105 HG3 GLU 105 30.469 -9.358 5.648 860 H LYS 106 H LYS 106 27.251 -5.953 7.231 861 HA LYS 106 HA LYS 106 25.670 -7.649 8.814 862 HB2 LYS 106 HB2 LYS 106 25.095 -5.761 9.911 863 HB3 LYS 106 HB3 LYS 106 26.343 -5.021 8.917 864 HG2 LYS 106 HG2 LYS 106 24.542 -4.481 7.247 865 HG3 LYS 106 HG3 LYS 106 23.372 -4.997 8.463 866 HD2 LYS 106 HD2 LYS 106 25.404 -2.788 8.780 867 HD3 LYS 106 HD3 LYS 106 23.674 -2.574 8.504 868 HE2 LYS 106 HE2 LYS 106 23.717 -2.365 10.774 869 HE3 LYS 106 HE3 LYS 106 23.513 -4.112 10.651 870 HZ1 LYS 106 HZ1 LYS 106 26.250 -3.534 10.556 871 HZ2 LYS 106 HZ2 LYS 106 25.398 -4.374 11.751 872 HZ3 LYS 106 HZ3 LYS 106 25.592 -2.698 11.872 873 H LEU 107 H LEU 107 25.065 -6.079 5.746 874 HA LEU 107 HA LEU 107 22.253 -6.514 5.709 875 HB2 LEU 107 HB2 LEU 107 23.890 -4.987 4.253 876 HB3 LEU 107 HB3 LEU 107 23.762 -6.366 3.163 877 HG LEU 107 HG LEU 107 22.156 -4.764 2.467 878 HD11 LEU 107 HD11 LEU 107 20.085 -5.981 2.677 879 HD12 LEU 107 HD12 LEU 107 20.699 -6.851 4.082 880 HD13 LEU 107 HD13 LEU 107 21.420 -7.118 2.495 881 HD21 LEU 107 HD21 LEU 107 21.241 -3.298 3.856 882 HD22 LEU 107 HD22 LEU 107 22.042 -4.104 5.205 883 HD23 LEU 107 HD23 LEU 107 20.415 -4.591 4.726 884 H ARG 108 H ARG 108 25.045 -8.355 4.631 885 HA ARG 108 HA ARG 108 23.820 -10.255 3.028 886 HB2 ARG 108 HB2 ARG 108 26.214 -10.390 4.845 887 HB3 ARG 108 HB3 ARG 108 25.695 -11.788 3.913 888 HG2 ARG 108 HG2 ARG 108 25.756 -9.869 1.994 889 HG3 ARG 108 HG3 ARG 108 27.070 -9.352 3.053 890 HD2 ARG 108 HD2 ARG 108 27.251 -12.167 2.732 891 HD3 ARG 108 HD3 ARG 108 27.049 -11.450 1.135 892 HE ARG 108 HE ARG 108 29.161 -10.594 1.299 893 HH11 ARG 108 HH11 ARG 108 28.058 -11.493 4.476 894 HH12 ARG 108 HH12 ARG 108 29.588 -11.198 5.234 895 HH21 ARG 108 HH21 ARG 108 31.180 -10.202 2.285 896 HH22 ARG 108 HH22 ARG 108 31.363 -10.462 3.986 897 H ASP 109 H ASP 109 24.246 -10.258 6.550 898 HA ASP 109 HA ASP 109 23.193 -12.771 7.103 899 HB2 ASP 109 HB2 ASP 109 24.339 -11.331 8.763 900 HB3 ASP 109 HB3 ASP 109 22.929 -10.275 8.793 901 H LEU 110 H LEU 110 21.528 -9.649 6.831 902 HA LEU 110 HA LEU 110 18.960 -10.521 7.500 903 HB2 LEU 110 HB2 LEU 110 19.450 -8.186 7.386 904 HB3 LEU 110 HB3 LEU 110 19.889 -8.307 5.684 905 HG LEU 110 HG LEU 110 17.402 -9.028 5.377 906 HD11 LEU 110 HD11 LEU 110 15.869 -8.387 6.979 907 HD12 LEU 110 HD12 LEU 110 17.000 -7.294 7.777 908 HD13 LEU 110 HD13 LEU 110 17.180 -9.038 7.963 909 HD21 LEU 110 HD21 LEU 110 17.255 -7.034 4.409 910 HD22 LEU 110 HD22 LEU 110 18.802 -6.628 5.152 911 HD23 LEU 110 HD23 LEU 110 17.295 -6.208 5.967 912 H LEU 111 H LEU 111 20.466 -10.200 4.289 913 HA LEU 111 HA LEU 111 18.275 -11.194 2.829 914 HB2 LEU 111 HB2 LEU 111 21.214 -11.218 2.162 915 HB3 LEU 111 HB3 LEU 111 19.917 -11.561 1.019 916 HG LEU 111 HG LEU 111 20.225 -8.924 2.444 917 HD11 LEU 111 HD11 LEU 111 22.094 -9.765 0.774 918 HD12 LEU 111 HD12 LEU 111 21.518 -8.098 0.761 919 HD13 LEU 111 HD13 LEU 111 20.908 -9.250 -0.427 920 HD21 LEU 111 HD21 LEU 111 18.237 -10.094 0.699 921 HD22 LEU 111 HD22 LEU 111 18.909 -8.611 0.020 922 HD23 LEU 111 HD23 LEU 111 18.182 -8.596 1.628 923 H ILE 112 H ILE 112 21.037 -12.781 4.330 924 HA ILE 112 HA ILE 112 20.720 -15.327 3.203 925 HB ILE 112 HB ILE 112 21.874 -14.463 5.849 926 HG12 ILE 112 HG12 ILE 112 23.402 -15.681 3.584 927 HG13 ILE 112 HG13 ILE 112 22.905 -13.996 3.467 928 HG21 ILE 112 HG21 ILE 112 22.921 -16.936 5.408 929 HG22 ILE 112 HG22 ILE 112 21.585 -16.588 6.503 930 HG23 ILE 112 HG23 ILE 112 21.258 -17.152 4.865 931 HD11 ILE 112 HD11 ILE 112 24.538 -15.158 5.710 932 HD12 ILE 112 HD12 ILE 112 25.186 -14.270 4.331 933 HD13 ILE 112 HD13 ILE 112 24.118 -13.461 5.478 934 H SER 113 H SER 113 19.233 -13.830 6.030 935 HA SER 113 HA SER 113 17.913 -16.209 6.905 936 HB2 SER 113 HB2 SER 113 18.120 -14.747 8.669 937 HB3 SER 113 HB3 SER 113 17.857 -13.325 7.660 938 HG SER 113 HG SER 113 16.095 -14.617 9.167 939 H MET 114 H MET 114 17.276 -13.838 4.513 940 HA MET 114 HA MET 114 14.440 -14.542 4.366 941 HB2 MET 114 HB2 MET 114 16.117 -12.372 3.145 942 HB3 MET 114 HB3 MET 114 14.544 -12.770 2.467 943 HG2 MET 114 HG2 MET 114 13.878 -12.526 5.056 944 HG3 MET 114 HG3 MET 114 15.238 -11.408 4.982 945 HE1 MET 114 HE1 MET 114 14.518 -8.818 2.643 946 HE2 MET 114 HE2 MET 114 14.153 -8.499 4.339 947 HE3 MET 114 HE3 MET 114 15.499 -9.555 3.910 948 H GLU 115 H GLU 115 17.354 -15.580 3.124 949 HA GLU 115 HA GLU 115 17.923 -17.034 1.469 950 HB2 GLU 115 HB2 GLU 115 14.972 -17.414 0.976 951 HB3 GLU 115 HB3 GLU 115 16.276 -18.539 0.622 952 HG2 GLU 115 HG2 GLU 115 16.684 -18.792 3.033 953 HG3 GLU 115 HG3 GLU 115 15.327 -17.715 3.357 954 H LEU 116 H LEU 116 17.760 -14.290 0.854 955 HA LEU 116 HA LEU 116 16.709 -14.250 -1.887 956 HB2 LEU 116 HB2 LEU 116 17.168 -12.208 0.196 957 HB3 LEU 116 HB3 LEU 116 17.490 -11.712 -1.465 958 HG LEU 116 HG LEU 116 15.202 -11.160 -0.586 959 HD11 LEU 116 HD11 LEU 116 14.940 -13.006 -2.916 960 HD12 LEU 116 HD12 LEU 116 15.941 -11.561 -3.048 961 HD13 LEU 116 HD13 LEU 116 14.228 -11.413 -2.657 962 HD21 LEU 116 HD21 LEU 116 13.578 -12.841 -0.294 963 HD22 LEU 116 HD22 LEU 116 14.988 -13.384 0.616 964 HD23 LEU 116 HD23 LEU 116 14.632 -14.088 -0.962 965 H ALA 117 H ALA 117 18.011 -14.023 -3.624 966 HA ALA 117 HA ALA 117 20.776 -14.591 -3.365 967 HB1 ALA 117 HB1 ALA 117 18.876 -14.585 -5.434 968 HB2 ALA 117 HB2 ALA 117 20.169 -13.496 -5.940 969 HB3 ALA 117 HB3 ALA 117 20.542 -15.162 -5.495 970 H LEU 118 H LEU 118 22.538 -13.299 -3.396 971 HA LEU 118 HA LEU 118 22.125 -10.414 -3.803 972 HB2 LEU 118 HB2 LEU 118 22.264 -10.676 -1.453 973 HB3 LEU 118 HB3 LEU 118 23.618 -11.795 -1.589 974 HG LEU 118 HG LEU 118 24.971 -9.849 -2.475 975 HD11 LEU 118 HD11 LEU 118 22.402 -8.509 -1.901 976 HD12 LEU 118 HD12 LEU 118 23.640 -8.132 -3.098 977 HD13 LEU 118 HD13 LEU 118 23.868 -7.656 -1.415 978 HD21 LEU 118 HD21 LEU 118 25.614 -10.347 -0.355 979 HD22 LEU 118 HD22 LEU 118 23.978 -10.219 0.293 980 HD23 LEU 118 HD23 LEU 118 24.909 -8.760 -0.049 981 H GLU 119 H GLU 119 23.767 -9.310 -4.820 982 HA GLU 119 HA GLU 119 26.292 -10.597 -5.378 983 HB2 GLU 119 HB2 GLU 119 24.138 -10.357 -7.415 984 HB3 GLU 119 HB3 GLU 119 25.779 -10.000 -7.932 985 HG2 GLU 119 HG2 GLU 119 26.322 -12.279 -6.774 986 HG3 GLU 119 HG3 GLU 119 24.600 -12.572 -7.010 987 HA PRO 120 HA PRO 120 27.770 -6.471 -5.555 988 HB2 PRO 120 HB2 PRO 120 29.755 -6.642 -7.398 989 HB3 PRO 120 HB3 PRO 120 29.885 -7.340 -5.779 990 HG2 PRO 120 HG2 PRO 120 29.203 -8.676 -8.370 991 HG3 PRO 120 HG3 PRO 120 30.272 -9.235 -7.071 992 HD2 PRO 120 HD2 PRO 120 27.740 -10.147 -7.367 993 HD3 PRO 120 HD3 PRO 120 28.518 -9.987 -5.779 994 H SER 121 H SER 121 28.260 -4.624 -7.058 995 HA SER 121 HA SER 121 26.081 -4.070 -8.701 996 HB2 SER 121 HB2 SER 121 28.757 -2.740 -9.074 997 HB3 SER 121 HB3 SER 121 27.148 -2.037 -9.228 998 HG SER 121 HG SER 121 28.717 -2.136 -7.075 999 H ASP 122 H ASP 122 26.588 -3.196 -11.077 1000 HA ASP 122 HA ASP 122 27.000 -5.512 -12.657 1001 HB2 ASP 122 HB2 ASP 122 26.554 -2.607 -13.247 1002 HB3 ASP 122 HB3 ASP 122 27.028 -3.697 -14.547 1003 H ASP 123 H ASP 123 29.051 -2.849 -11.698 1004 HA ASP 123 HA ASP 123 31.242 -3.985 -13.307 1005 HB2 ASP 123 HB2 ASP 123 30.446 -1.512 -13.590 1006 HB3 ASP 123 HB3 ASP 123 31.344 -1.241 -12.099 1007 H PHE 124 H PHE 124 30.275 -4.852 -10.638 1008 HA PHE 124 HA PHE 124 32.827 -4.545 -9.208 1009 HB2 PHE 124 HB2 PHE 124 30.968 -3.178 -8.181 1010 HB3 PHE 124 HB3 PHE 124 30.139 -4.693 -7.838 1011 HD1 PHE 124 HD2 PHE 124 33.731 -3.755 -7.549 1012 HD2 PHE 124 HD1 PHE 124 30.178 -4.983 -5.552 1013 HE1 PHE 124 HE2 PHE 124 34.989 -3.960 -5.444 1014 HE2 PHE 124 HE1 PHE 124 31.430 -5.189 -3.444 1015 HZ PHE 124 HZ PHE 124 33.839 -4.679 -3.388 1016 H ASN 125 H ASN 125 33.445 -6.326 -7.892 1017 HA ASN 125 HA ASN 125 32.105 -8.842 -8.638 1018 HB2 ASN 125 HB2 ASN 125 34.993 -8.586 -7.803 1019 HB3 ASN 125 HB3 ASN 125 34.209 -9.949 -8.598 1020 HD21 ASN 125 HD21 ASN 125 35.885 -7.028 -9.005 1021 HD22 ASN 125 HD22 ASN 125 35.811 -6.949 -10.729 1022 H ASP 126 H ASP 126 32.903 -10.642 -6.966 1023 HA ASP 126 HA ASP 126 31.678 -9.947 -4.490 1024 HB2 ASP 126 HB2 ASP 126 33.007 -12.414 -5.566 1025 HB3 ASP 126 HB3 ASP 126 32.577 -12.312 -3.861 1026 H GLU 127 H GLU 127 32.925 -8.289 -3.588 1027 HA GLU 127 HA GLU 127 35.083 -9.178 -1.941 1028 HB2 GLU 127 HB2 GLU 127 35.655 -7.703 -4.444 1029 HB3 GLU 127 HB3 GLU 127 36.496 -7.142 -3.006 1030 HG2 GLU 127 HG2 GLU 127 37.075 -9.660 -2.697 1031 HG3 GLU 127 HG3 GLU 127 36.698 -9.759 -4.416 1032 HA PRO 128 HA PRO 128 33.774 -5.828 0.569 1033 HB2 PRO 128 HB2 PRO 128 36.082 -5.052 1.768 1034 HB3 PRO 128 HB3 PRO 128 35.256 -6.564 2.163 1035 HG2 PRO 128 HG2 PRO 128 37.611 -6.103 0.373 1036 HG3 PRO 128 HG3 PRO 128 37.347 -7.388 1.566 1037 HD2 PRO 128 HD2 PRO 128 36.980 -7.768 -1.089 1038 HD3 PRO 128 HD3 PRO 128 36.016 -8.613 0.139 1039 H VAL 129 H VAL 129 33.470 -3.646 0.512 1040 HA VAL 129 HA VAL 129 34.183 -2.173 -1.731 1041 HB VAL 129 HB VAL 129 32.300 -1.513 -0.370 1042 HG11 VAL 129 HG11 VAL 129 34.164 -0.524 1.763 1043 HG12 VAL 129 HG12 VAL 129 32.418 -0.772 1.843 1044 HG13 VAL 129 HG13 VAL 129 33.506 -2.160 1.799 1045 HG21 VAL 129 HG21 VAL 129 33.648 0.932 0.179 1046 HG22 VAL 129 HG22 VAL 129 34.301 0.257 -1.313 1047 HG23 VAL 129 HG23 VAL 129 32.568 0.545 -1.160 1048 H LYS 130 H LYS 130 36.134 -1.540 -2.349 1049 HA LYS 130 HA LYS 130 38.184 -0.986 -0.336 1050 HB2 LYS 130 HB2 LYS 130 38.180 -1.896 -3.132 1051 HB3 LYS 130 HB3 LYS 130 39.433 -0.720 -2.757 1052 HG2 LYS 130 HG2 LYS 130 40.524 -2.676 -2.307 1053 HG3 LYS 130 HG3 LYS 130 39.874 -2.290 -0.712 1054 HD2 LYS 130 HD2 LYS 130 38.250 -3.932 -0.833 1055 HD3 LYS 130 HD3 LYS 130 38.276 -3.972 -2.597 1056 HE2 LYS 130 HE2 LYS 130 40.706 -4.834 -2.276 1057 HE3 LYS 130 HE3 LYS 130 40.168 -5.217 -0.642 1058 HZ1 LYS 130 HZ1 LYS 130 39.536 -6.515 -3.136 1059 HZ2 LYS 130 HZ2 LYS 130 38.186 -6.230 -2.158 1060 HZ3 LYS 130 HZ3 LYS 130 39.491 -7.123 -1.557 1061 H LEU 131 H LEU 131 37.767 1.054 0.404 1062 HA LEU 131 HA LEU 131 37.096 3.225 -1.331 1063 HB2 LEU 131 HB2 LEU 131 37.946 3.106 1.554 1064 HB3 LEU 131 HB3 LEU 131 37.528 4.607 0.729 1065 HG LEU 131 HG LEU 131 35.627 3.970 1.980 1066 HD11 LEU 131 HD11 LEU 131 35.188 4.734 -0.323 1067 HD12 LEU 131 HD12 LEU 131 33.940 3.648 0.285 1068 HD13 LEU 131 HD13 LEU 131 35.149 3.052 -0.852 1069 HD21 LEU 131 HD21 LEU 131 36.444 1.549 2.171 1070 HD22 LEU 131 HD22 LEU 131 35.560 1.271 0.671 1071 HD23 LEU 131 HD23 LEU 131 34.704 1.828 2.109 1072 H SER 132 H SER 132 40.046 2.027 0.158 1073 HA SER 132 HA SER 132 41.580 4.251 -0.955 1074 HB2 SER 132 HB2 SER 132 41.931 3.383 1.417 1075 HB3 SER 132 HB3 SER 132 42.659 1.955 0.683 1076 HG SER 132 HG SER 132 44.412 3.092 0.591 1077 H ALA 133 H ALA 133 40.845 3.238 -3.113 1078 HA ALA 133 HA ALA 133 42.446 0.953 -3.935 1079 HB1 ALA 133 HB1 ALA 133 40.813 2.468 -5.893 1080 HB2 ALA 133 HB2 ALA 133 41.036 0.728 -5.707 1081 HB3 ALA 133 HB3 ALA 133 39.964 1.603 -4.612
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