NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23283 | 2juo | 15451 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 34 HA MET 34 0.821 12.301 -6.945 2 H1 MET 34 H1 MET 34 2.244 12.241 -5.110 3 H2 MET 34 H2 MET 34 3.245 12.486 -6.454 4 H3 MET 34 H3 MET 34 3.153 10.953 -5.724 5 HB2 MET 34 HB2 MET 34 2.529 11.954 -8.678 6 HB3 MET 34 HB3 MET 34 2.682 10.269 -8.201 7 HG2 MET 34 HG2 MET 34 0.250 10.000 -8.795 8 HG3 MET 34 HG3 MET 34 0.333 11.612 -9.503 9 HE1 MET 34 HE1 MET 34 3.051 11.083 -12.302 10 HE2 MET 34 HE2 MET 34 1.972 12.244 -11.529 11 HE3 MET 34 HE3 MET 34 3.341 11.584 -10.635 12 H ALA 35 H ALA 35 2.012 9.013 -7.126 13 HA ALA 35 HA ALA 35 0.190 8.025 -5.116 14 HB1 ALA 35 HB1 ALA 35 -0.133 7.193 -8.008 15 HB2 ALA 35 HB2 ALA 35 -0.971 6.484 -6.626 16 HB3 ALA 35 HB3 ALA 35 -1.278 8.162 -7.080 17 H GLU 36 H GLU 36 2.469 7.798 -4.480 18 HA GLU 36 HA GLU 36 4.302 6.222 -5.928 19 HB2 GLU 36 HB2 GLU 36 4.167 7.292 -3.127 20 HB3 GLU 36 HB3 GLU 36 5.483 6.240 -3.611 21 HG2 GLU 36 HG2 GLU 36 6.025 8.652 -3.757 22 HG3 GLU 36 HG3 GLU 36 6.208 7.792 -5.281 23 H CYS 37 H CYS 37 3.778 4.172 -6.394 24 HA CYS 37 HA CYS 37 2.359 2.561 -4.440 25 HG CYS 37 HG CYS 37 3.338 0.936 -8.622 26 HB2 CYS 37 HB2 CYS 37 2.177 0.934 -6.339 27 HB3 CYS 37 HB3 CYS 37 1.465 2.512 -6.658 28 H VAL 38 H VAL 38 3.042 0.648 -3.601 29 HA VAL 38 HA VAL 38 5.686 -0.369 -4.358 30 HB VAL 38 HB VAL 38 6.048 0.885 -2.274 31 HG11 VAL 38 HG11 VAL 38 3.916 -0.890 -1.100 32 HG12 VAL 38 HG12 VAL 38 4.940 0.223 -0.194 33 HG13 VAL 38 HG13 VAL 38 3.796 0.848 -1.382 34 HG21 VAL 38 HG21 VAL 38 6.100 -2.104 -1.908 35 HG22 VAL 38 HG22 VAL 38 7.371 -1.099 -2.603 36 HG23 VAL 38 HG23 VAL 38 6.961 -0.945 -0.893 37 H SER 39 H SER 39 5.783 -2.621 -4.405 38 HA SER 39 HA SER 39 3.223 -3.971 -3.928 39 HG SER 39 HG SER 39 5.726 -3.636 -6.569 40 HB2 SER 39 HB2 SER 39 4.416 -5.781 -5.388 41 HB3 SER 39 HB3 SER 39 3.766 -4.335 -6.163 42 H GLN 40 H GLN 40 3.082 -5.072 -2.123 43 HA GLN 40 HA GLN 40 5.249 -6.789 -1.255 44 HB2 GLN 40 HB2 GLN 40 5.287 -4.260 -0.262 45 HB3 GLN 40 HB3 GLN 40 4.249 -5.043 0.920 46 HG2 GLN 40 HG2 GLN 40 6.812 -6.360 0.195 47 HG3 GLN 40 HG3 GLN 40 6.853 -4.933 1.228 48 HE21 GLN 40 HE21 GLN 40 4.307 -5.485 2.459 49 HE22 GLN 40 HE22 GLN 40 4.567 -6.800 3.542 50 H ALA 41 H ALA 41 4.506 -8.269 0.467 51 HA ALA 41 HA ALA 41 1.570 -8.599 0.329 52 HB1 ALA 41 HB1 ALA 41 2.751 -10.192 -1.067 53 HB2 ALA 41 HB2 ALA 41 3.714 -10.713 0.316 54 HB3 ALA 41 HB3 ALA 41 1.976 -11.008 0.293 55 H ILE 42 H ILE 42 0.603 -9.823 2.132 56 HA ILE 42 HA ILE 42 2.056 -9.918 4.616 57 HB ILE 42 HB ILE 42 1.074 -8.257 5.861 58 HG12 ILE 42 HG12 ILE 42 -1.201 -8.117 3.871 59 HG13 ILE 42 HG13 ILE 42 -1.235 -8.930 5.422 60 HG21 ILE 42 HG21 ILE 42 1.025 -7.029 3.114 61 HG22 ILE 42 HG22 ILE 42 1.038 -6.138 4.636 62 HG23 ILE 42 HG23 ILE 42 2.421 -7.138 4.186 63 HD11 ILE 42 HD11 ILE 42 -0.901 -6.781 6.547 64 HD12 ILE 42 HD12 ILE 42 -0.954 -5.975 4.978 65 HD13 ILE 42 HD13 ILE 42 -2.378 -6.826 5.577 66 H ASP 43 H ASP 43 0.543 -10.497 6.438 67 HA ASP 43 HA ASP 43 -1.132 -12.687 5.766 68 HB2 ASP 43 HB2 ASP 43 -0.506 -11.127 8.254 69 HB3 ASP 43 HB3 ASP 43 -1.705 -12.410 8.279 70 H ILE 44 H ILE 44 -3.419 -12.776 5.512 71 HA ILE 44 HA ILE 44 -4.725 -10.160 5.593 72 HB ILE 44 HB ILE 44 -6.380 -10.982 4.164 73 HG12 ILE 44 HG12 ILE 44 -5.379 -13.800 4.319 74 HG13 ILE 44 HG13 ILE 44 -6.600 -13.196 5.435 75 HG21 ILE 44 HG21 ILE 44 -3.802 -12.297 3.360 76 HG22 ILE 44 HG22 ILE 44 -5.139 -11.895 2.284 77 HG23 ILE 44 HG23 ILE 44 -4.234 -10.608 3.081 78 HD11 ILE 44 HD11 ILE 44 -8.017 -12.569 3.563 79 HD12 ILE 44 HD12 ILE 44 -6.799 -13.181 2.438 80 HD13 ILE 44 HD13 ILE 44 -7.626 -14.292 3.531 81 H ASN 45 H ASN 45 -4.642 -13.162 7.279 82 HA ASN 45 HA ASN 45 -7.202 -12.678 8.586 83 HB2 ASN 45 HB2 ASN 45 -5.074 -14.624 9.523 84 HB3 ASN 45 HB3 ASN 45 -6.806 -14.676 9.798 85 HD21 ASN 45 HD21 ASN 45 -4.275 -15.184 7.485 86 HD22 ASN 45 HD22 ASN 45 -5.174 -16.242 6.454 87 H GLU 46 H GLU 46 -3.977 -11.747 8.775 88 HA GLU 46 HA GLU 46 -4.133 -10.937 11.577 89 HB2 GLU 46 HB2 GLU 46 -1.906 -11.759 9.781 90 HB3 GLU 46 HB3 GLU 46 -1.556 -10.515 10.971 91 HG2 GLU 46 HG2 GLU 46 -0.962 -12.698 11.818 92 HG3 GLU 46 HG3 GLU 46 -2.283 -12.009 12.758 93 HA PRO 47 HA PRO 47 -4.365 -6.667 11.096 94 HB2 PRO 47 HB2 PRO 47 -1.852 -5.611 11.599 95 HB3 PRO 47 HB3 PRO 47 -3.029 -6.079 12.832 96 HG2 PRO 47 HG2 PRO 47 -0.727 -7.652 11.712 97 HG3 PRO 47 HG3 PRO 47 -1.220 -7.451 13.410 98 HD2 PRO 47 HD2 PRO 47 -1.848 -9.657 12.144 99 HD3 PRO 47 HD3 PRO 47 -3.084 -8.865 13.136 100 H ILE 48 H ILE 48 -4.565 -5.387 9.341 101 HA ILE 48 HA ILE 48 -2.743 -5.686 7.111 102 HB ILE 48 HB ILE 48 -4.234 -4.449 5.820 103 HG12 ILE 48 HG12 ILE 48 -6.145 -3.219 7.401 104 HG13 ILE 48 HG13 ILE 48 -4.642 -2.906 8.263 105 HG21 ILE 48 HG21 ILE 48 -6.464 -5.250 6.336 106 HG22 ILE 48 HG22 ILE 48 -5.255 -6.508 6.595 107 HG23 ILE 48 HG23 ILE 48 -5.948 -5.652 7.974 108 HD11 ILE 48 HD11 ILE 48 -3.671 -1.997 6.224 109 HD12 ILE 48 HD12 ILE 48 -5.202 -2.269 5.389 110 HD13 ILE 48 HD13 ILE 48 -5.120 -1.123 6.727 111 H GLY 49 H GLY 49 -2.932 -3.778 9.885 112 HA2 GLY 49 HA2 GLY 49 -1.767 -1.395 8.797 113 HA3 GLY 49 HA3 GLY 49 -1.973 -1.764 10.501 114 H ASN 50 H ASN 50 -0.442 -4.378 9.129 115 HA ASN 50 HA ASN 50 2.009 -3.638 10.357 116 HB2 ASN 50 HB2 ASN 50 2.807 -5.854 9.666 117 HB3 ASN 50 HB3 ASN 50 1.230 -5.966 10.425 118 HD21 ASN 50 HD21 ASN 50 0.719 -7.909 9.495 119 HD22 ASN 50 HD22 ASN 50 0.378 -8.077 7.811 120 H LEU 51 H LEU 51 0.670 -2.805 7.483 121 HA LEU 51 HA LEU 51 2.784 -2.979 5.654 122 HG LEU 51 HG LEU 51 1.442 -2.796 3.486 123 HB2 LEU 51 HB2 LEU 51 0.320 -1.341 5.884 124 HB3 LEU 51 HB3 LEU 51 1.561 -0.760 4.791 125 HD11 LEU 51 HD11 LEU 51 -0.614 -3.720 5.481 126 HD12 LEU 51 HD12 LEU 51 -0.164 -4.552 3.992 127 HD13 LEU 51 HD13 LEU 51 1.016 -4.369 5.292 128 HD21 LEU 51 HD21 LEU 51 -0.737 -2.554 2.551 129 HD22 LEU 51 HD22 LEU 51 -1.364 -1.871 4.052 130 HD23 LEU 51 HD23 LEU 51 -0.200 -0.964 3.090 131 H LYS 52 H LYS 52 2.271 -0.905 8.358 132 HA LYS 52 HA LYS 52 4.077 1.169 7.546 133 HB2 LYS 52 HB2 LYS 52 2.890 0.404 10.214 134 HB3 LYS 52 HB3 LYS 52 4.066 1.699 10.054 135 HG2 LYS 52 HG2 LYS 52 2.531 2.848 8.473 136 HG3 LYS 52 HG3 LYS 52 1.344 1.572 8.775 137 HD2 LYS 52 HD2 LYS 52 1.190 2.160 11.087 138 HD3 LYS 52 HD3 LYS 52 2.543 3.283 10.946 139 HE2 LYS 52 HE2 LYS 52 1.243 4.709 9.481 140 HE3 LYS 52 HE3 LYS 52 -0.094 3.561 9.514 141 HZ1 LYS 52 HZ1 LYS 52 -0.456 5.432 11.023 142 HZ2 LYS 52 HZ2 LYS 52 0.958 5.036 11.875 143 HZ3 LYS 52 HZ3 LYS 52 -0.361 3.968 11.873 144 H LYS 53 H LYS 53 4.323 -1.931 9.024 145 HA LYS 53 HA LYS 53 7.074 -1.525 9.874 146 HB2 LYS 53 HB2 LYS 53 5.300 -3.968 9.998 147 HB3 LYS 53 HB3 LYS 53 6.893 -3.823 10.734 148 HG2 LYS 53 HG2 LYS 53 6.124 -2.161 12.248 149 HG3 LYS 53 HG3 LYS 53 4.577 -2.031 11.414 150 HD2 LYS 53 HD2 LYS 53 4.248 -3.318 13.404 151 HD3 LYS 53 HD3 LYS 53 4.128 -4.402 12.019 152 HE2 LYS 53 HE2 LYS 53 5.416 -5.453 13.776 153 HE3 LYS 53 HE3 LYS 53 6.455 -5.104 12.397 154 HZ1 LYS 53 HZ1 LYS 53 7.453 -3.320 13.516 155 HZ2 LYS 53 HZ2 LYS 53 7.363 -4.560 14.670 156 HZ3 LYS 53 HZ3 LYS 53 6.256 -3.277 14.719 157 H LEU 54 H LEU 54 5.236 -3.364 7.477 158 HA LEU 54 HA LEU 54 7.565 -4.787 6.588 159 HG LEU 54 HG LEU 54 6.573 -7.030 6.511 160 HB2 LEU 54 HB2 LEU 54 4.682 -4.776 5.836 161 HB3 LEU 54 HB3 LEU 54 5.837 -5.471 4.719 162 HD11 LEU 54 HD11 LEU 54 5.176 -7.325 8.481 163 HD12 LEU 54 HD12 LEU 54 5.917 -5.723 8.460 164 HD13 LEU 54 HD13 LEU 54 4.218 -5.917 8.021 165 HD21 LEU 54 HD21 LEU 54 4.468 -8.388 6.500 166 HD22 LEU 54 HD22 LEU 54 3.686 -7.032 5.688 167 HD23 LEU 54 HD23 LEU 54 5.040 -7.862 4.917 168 H LEU 55 H LEU 55 5.849 -1.923 5.532 169 HA LEU 55 HA LEU 55 7.310 -1.925 3.003 170 HG LEU 55 HG LEU 55 4.082 -0.779 1.834 171 HB2 LEU 55 HB2 LEU 55 5.089 -0.233 4.090 172 HB3 LEU 55 HB3 LEU 55 6.013 0.282 2.691 173 HD11 LEU 55 HD11 LEU 55 6.135 -1.388 0.693 174 HD12 LEU 55 HD12 LEU 55 6.344 -2.768 1.773 175 HD13 LEU 55 HD13 LEU 55 4.979 -2.720 0.656 176 HD21 LEU 55 HD21 LEU 55 4.665 -3.073 3.701 177 HD22 LEU 55 HD22 LEU 55 3.327 -1.931 3.824 178 HD23 LEU 55 HD23 LEU 55 3.403 -3.055 2.468 179 H GLU 56 H GLU 56 7.876 -0.932 6.105 180 HA GLU 56 HA GLU 56 9.181 1.478 5.968 181 HB2 GLU 56 HB2 GLU 56 8.912 0.302 8.050 182 HB3 GLU 56 HB3 GLU 56 9.933 -1.016 7.499 183 HG2 GLU 56 HG2 GLU 56 11.202 0.274 9.013 184 HG3 GLU 56 HG3 GLU 56 11.828 0.608 7.401 185 HA PRO 57 HA PRO 57 13.274 -0.748 4.413 186 HB2 PRO 57 HB2 PRO 57 12.883 -3.165 3.203 187 HB3 PRO 57 HB3 PRO 57 13.304 -2.995 4.913 188 HG2 PRO 57 HG2 PRO 57 10.599 -3.369 3.654 189 HG3 PRO 57 HG3 PRO 57 11.306 -4.217 5.048 190 HD2 PRO 57 HD2 PRO 57 9.582 -2.227 5.398 191 HD3 PRO 57 HD3 PRO 57 11.000 -2.388 6.457 192 H ARG 58 H ARG 58 10.202 -1.188 2.797 193 HA ARG 58 HA ARG 58 11.349 -1.346 0.165 194 HE ARG 58 HE ARG 58 9.821 -2.412 -1.928 195 HB2 ARG 58 HB2 ARG 58 8.532 -1.251 1.204 196 HB3 ARG 58 HB3 ARG 58 8.897 -1.263 -0.510 197 HG2 ARG 58 HG2 ARG 58 9.466 -3.403 1.523 198 HG3 ARG 58 HG3 ARG 58 8.409 -3.494 0.114 199 HD2 ARG 58 HD2 ARG 58 11.418 -3.293 0.124 200 HD3 ARG 58 HD3 ARG 58 10.453 -4.692 -0.339 201 HH11 ARG 58 HH12 ARG 58 12.120 -5.007 -1.518 202 HH12 ARG 58 HH11 ARG 58 12.712 -4.918 -3.149 203 HH21 ARG 58 HH22 ARG 58 10.573 -2.293 -4.086 204 HH22 ARG 58 HH21 ARG 58 11.797 -3.408 -4.626 205 H LEU 59 H LEU 59 9.467 1.066 1.966 206 HA LEU 59 HA LEU 59 9.521 2.851 -0.331 207 HG LEU 59 HG LEU 59 7.088 1.543 0.925 208 HB2 LEU 59 HB2 LEU 59 8.286 3.142 2.406 209 HB3 LEU 59 HB3 LEU 59 8.176 4.353 1.143 210 HD11 LEU 59 HD11 LEU 59 4.893 2.593 1.150 211 HD12 LEU 59 HD12 LEU 59 5.874 2.852 2.592 212 HD13 LEU 59 HD13 LEU 59 5.664 4.156 1.424 213 HD21 LEU 59 HD21 LEU 59 6.786 3.957 -0.860 214 HD22 LEU 59 HD22 LEU 59 7.717 2.505 -1.224 215 HD23 LEU 59 HD23 LEU 59 5.963 2.411 -1.071 216 H GLN 60 H GLN 60 11.366 2.212 2.408 217 HA GLN 60 HA GLN 60 12.957 3.289 3.625 218 HB2 GLN 60 HB2 GLN 60 13.228 4.998 1.146 219 HB3 GLN 60 HB3 GLN 60 14.426 4.818 2.421 220 HG2 GLN 60 HG2 GLN 60 14.569 2.403 1.874 221 HG3 GLN 60 HG3 GLN 60 13.483 2.689 0.516 222 HE21 GLN 60 HE21 GLN 60 14.945 2.119 -1.041 223 HE22 GLN 60 HE22 GLN 60 16.351 3.054 -1.410 224 H CYS 61 H CYS 61 10.249 4.123 3.704 225 HA CYS 61 HA CYS 61 10.507 6.960 4.492 226 HG CYS 61 HG CYS 61 9.974 7.901 2.105 227 HB2 CYS 61 HB2 CYS 61 8.079 5.448 3.504 228 HB3 CYS 61 HB3 CYS 61 8.024 7.087 4.152 229 H SER 62 H SER 62 9.819 7.572 6.508 230 HA SER 62 HA SER 62 9.428 5.530 8.474 231 HG SER 62 HG SER 62 11.298 6.870 8.965 232 HB2 SER 62 HB2 SER 62 9.019 8.524 8.702 233 HB3 SER 62 HB3 SER 62 9.173 7.391 10.044 234 H LEU 63 H LEU 63 7.619 4.437 8.561 235 HA LEU 63 HA LEU 63 5.176 5.527 7.433 236 HG LEU 63 HG LEU 63 5.090 1.996 6.368 237 HB2 LEU 63 HB2 LEU 63 5.704 2.837 8.699 238 HB3 LEU 63 HB3 LEU 63 4.166 3.323 8.018 239 HD11 LEU 63 HD11 LEU 63 5.804 3.431 4.509 240 HD12 LEU 63 HD12 LEU 63 4.366 4.041 5.336 241 HD13 LEU 63 HD13 LEU 63 5.939 4.785 5.633 242 HD21 LEU 63 HD21 LEU 63 7.253 1.704 7.365 243 HD22 LEU 63 HD22 LEU 63 7.407 2.073 5.647 244 HD23 LEU 63 HD23 LEU 63 7.737 3.321 6.849 245 H ASP 64 H ASP 64 4.201 6.993 8.655 246 HA ASP 64 HA ASP 64 3.662 6.392 11.459 247 HB2 ASP 64 HB2 ASP 64 5.785 7.600 11.498 248 HB3 ASP 64 HB3 ASP 64 5.091 8.893 10.527 249 H ALA 65 H ALA 65 3.457 9.459 9.634 250 HA ALA 65 HA ALA 65 0.873 10.021 10.565 251 HB1 ALA 65 HB1 ALA 65 2.257 11.193 8.159 252 HB2 ALA 65 HB2 ALA 65 0.902 11.898 9.041 253 HB3 ALA 65 HB3 ALA 65 2.473 11.732 9.824 254 H HIS 66 H HIS 66 1.960 8.309 7.720 255 HA HIS 66 HA HIS 66 -0.604 8.516 6.457 256 HD2 HIS 66 HD2 HIS 66 3.099 7.336 3.393 257 HE1 HIS 66 HE1 HIS 66 5.179 7.031 7.052 258 HE2 HIS 66 HE2 HIS 66 5.408 7.372 4.562 259 HB2 HIS 66 HB2 HIS 66 0.532 6.626 4.951 260 HB3 HIS 66 HB3 HIS 66 0.763 8.348 4.696 261 H GLU 67 H GLU 67 -2.246 7.483 6.899 262 HA GLU 67 HA GLU 67 -2.209 5.083 8.522 263 HB2 GLU 67 HB2 GLU 67 -4.677 5.381 8.516 264 HB3 GLU 67 HB3 GLU 67 -3.823 6.816 9.064 265 HG2 GLU 67 HG2 GLU 67 -4.068 7.707 6.712 266 HG3 GLU 67 HG3 GLU 67 -5.163 6.360 6.412 267 H ILE 68 H ILE 68 -3.413 3.148 7.866 268 HA ILE 68 HA ILE 68 -2.709 2.507 5.135 269 HB ILE 68 HB ILE 68 -4.168 0.460 6.663 270 HG12 ILE 68 HG12 ILE 68 -2.837 1.643 8.458 271 HG13 ILE 68 HG13 ILE 68 -2.418 -0.049 8.224 272 HG21 ILE 68 HG21 ILE 68 -2.333 -0.925 5.811 273 HG22 ILE 68 HG22 ILE 68 -3.095 0.022 4.533 274 HG23 ILE 68 HG23 ILE 68 -1.537 0.522 5.191 275 HD11 ILE 68 HD11 ILE 68 -0.875 2.327 7.210 276 HD12 ILE 68 HD12 ILE 68 -0.432 1.270 8.552 277 HD13 ILE 68 HD13 ILE 68 -0.465 0.639 6.905 278 H CYS 69 H CYS 69 -4.152 1.640 3.571 279 HA CYS 69 HA CYS 69 -6.987 2.057 3.927 280 HG CYS 69 HG CYS 69 -6.125 4.362 5.166 281 HB2 CYS 69 HB2 CYS 69 -5.319 3.880 2.181 282 HB3 CYS 69 HB3 CYS 69 -7.070 3.736 2.044 283 H LEU 70 H LEU 70 -8.113 1.704 1.760 284 HA LEU 70 HA LEU 70 -6.545 0.030 -0.062 285 HG LEU 70 HG LEU 70 -6.937 -2.132 -0.462 286 HB2 LEU 70 HB2 LEU 70 -7.810 -1.218 1.843 287 HB3 LEU 70 HB3 LEU 70 -9.238 -0.854 0.891 288 HD11 LEU 70 HD11 LEU 70 -7.738 -4.338 0.232 289 HD12 LEU 70 HD12 LEU 70 -7.150 -3.387 1.596 290 HD13 LEU 70 HD13 LEU 70 -8.884 -3.562 1.327 291 HD21 LEU 70 HD21 LEU 70 -9.933 -2.425 -0.686 292 HD22 LEU 70 HD22 LEU 70 -8.895 -1.492 -1.764 293 HD23 LEU 70 HD23 LEU 70 -8.747 -3.248 -1.699 294 H GLN 71 H GLN 71 -6.857 0.899 -2.007 295 HA GLN 71 HA GLN 71 -7.761 2.130 -3.700 296 HB2 GLN 71 HB2 GLN 71 -10.188 0.600 -2.754 297 HB3 GLN 71 HB3 GLN 71 -10.160 1.556 -4.233 298 HG2 GLN 71 HG2 GLN 71 -8.730 0.112 -5.300 299 HG3 GLN 71 HG3 GLN 71 -8.067 -0.516 -3.793 300 HE21 GLN 71 HE21 GLN 71 -8.373 -2.625 -4.365 301 HE22 GLN 71 HE22 GLN 71 -9.927 -3.362 -4.427 302 H ASP 72 H ASP 72 -7.519 3.313 -1.168 303 HA ASP 72 HA ASP 72 -7.725 5.474 -0.500 304 HB2 ASP 72 HB2 ASP 72 -8.496 6.324 -2.596 305 HB3 ASP 72 HB3 ASP 72 -10.091 5.599 -2.376 306 H ILE 73 H ILE 73 -10.122 3.017 -0.192 307 HA ILE 73 HA ILE 73 -11.648 4.219 1.903 308 HB ILE 73 HB ILE 73 -11.099 1.269 1.759 309 HG12 ILE 73 HG12 ILE 73 -13.294 2.489 0.112 310 HG13 ILE 73 HG13 ILE 73 -11.673 2.295 -0.561 311 HG21 ILE 73 HG21 ILE 73 -12.440 2.121 3.603 312 HG22 ILE 73 HG22 ILE 73 -13.561 2.861 2.460 313 HG23 ILE 73 HG23 ILE 73 -13.409 1.105 2.536 314 HD11 ILE 73 HD11 ILE 73 -11.784 -0.116 0.021 315 HD12 ILE 73 HD12 ILE 73 -13.465 0.125 0.506 316 HD13 ILE 73 HD13 ILE 73 -12.987 0.392 -1.173 317 H GLN 74 H GLN 74 -10.837 4.710 3.873 318 HA GLN 74 HA GLN 74 -8.281 3.807 4.695 319 HB2 GLN 74 HB2 GLN 74 -9.339 4.723 7.019 320 HB3 GLN 74 HB3 GLN 74 -8.560 5.734 5.806 321 HG2 GLN 74 HG2 GLN 74 -11.471 5.228 5.533 322 HG3 GLN 74 HG3 GLN 74 -10.928 6.301 6.821 323 HE21 GLN 74 HE21 GLN 74 -9.167 6.051 3.792 324 HE22 GLN 74 HE22 GLN 74 -9.611 7.613 3.208 325 H LEU 75 H LEU 75 -7.684 2.372 6.251 326 HA LEU 75 HA LEU 75 -9.671 0.246 6.773 327 HG LEU 75 HG LEU 75 -8.501 0.154 4.190 328 HB2 LEU 75 HB2 LEU 75 -6.732 0.065 6.083 329 HB3 LEU 75 HB3 LEU 75 -7.658 -1.295 6.689 330 HD11 LEU 75 HD11 LEU 75 -6.612 -2.194 4.339 331 HD12 LEU 75 HD12 LEU 75 -7.297 -1.476 2.875 332 HD13 LEU 75 HD13 LEU 75 -6.169 -0.550 3.867 333 HD21 LEU 75 HD21 LEU 75 -8.909 -2.638 5.246 334 HD22 LEU 75 HD22 LEU 75 -10.117 -1.350 5.174 335 HD23 LEU 75 HD23 LEU 75 -9.479 -2.043 3.682 336 H ASP 76 H ASP 76 -8.597 -1.303 8.618 337 HA ASP 76 HA ASP 76 -7.716 0.508 10.739 338 HB2 ASP 76 HB2 ASP 76 -9.684 -1.721 10.723 339 HB3 ASP 76 HB3 ASP 76 -8.634 -1.605 12.129 340 HA PRO 77 HA PRO 77 -3.883 -1.874 10.302 341 HB2 PRO 77 HB2 PRO 77 -3.003 -0.598 12.665 342 HB3 PRO 77 HB3 PRO 77 -2.617 -0.129 11.009 343 HG2 PRO 77 HG2 PRO 77 -4.668 0.968 12.860 344 HG3 PRO 77 HG3 PRO 77 -3.733 1.791 11.599 345 HD2 PRO 77 HD2 PRO 77 -6.325 1.190 11.249 346 HD3 PRO 77 HD3 PRO 77 -5.166 1.080 9.906 347 H ASP 78 H ASP 78 -6.081 -1.497 12.949 348 HA ASP 78 HA ASP 78 -4.945 -3.530 14.629 349 HB2 ASP 78 HB2 ASP 78 -7.586 -2.067 14.698 350 HB3 ASP 78 HB3 ASP 78 -6.988 -3.126 15.983 351 H ARG 79 H ARG 79 -6.779 -3.629 11.846 352 HA ARG 79 HA ARG 79 -8.007 -6.192 12.599 353 HE ARG 79 HE ARG 79 -12.448 -4.387 14.181 354 HB2 ARG 79 HB2 ARG 79 -9.178 -3.924 10.981 355 HB3 ARG 79 HB3 ARG 79 -9.846 -5.546 10.979 356 HG2 ARG 79 HG2 ARG 79 -10.313 -5.393 13.356 357 HG3 ARG 79 HG3 ARG 79 -9.579 -3.787 13.408 358 HD2 ARG 79 HD2 ARG 79 -11.266 -2.920 11.919 359 HD3 ARG 79 HD3 ARG 79 -11.953 -4.529 11.706 360 HH11 ARG 79 HH12 ARG 79 -12.230 -1.544 12.151 361 HH12 ARG 79 HH11 ARG 79 -13.375 -0.632 13.081 362 HH21 ARG 79 HH22 ARG 79 -13.979 -3.184 15.407 363 HH22 ARG 79 HH21 ARG 79 -14.362 -1.560 14.925 364 H SER 80 H SER 80 -8.420 -7.599 10.661 365 HA SER 80 HA SER 80 -6.114 -7.415 8.885 366 HG SER 80 HG SER 80 -8.695 -9.421 10.412 367 HB2 SER 80 HB2 SER 80 -6.602 -9.805 8.513 368 HB3 SER 80 HB3 SER 80 -6.419 -9.421 10.225 369 H LEU 81 H LEU 81 -6.545 -8.528 6.631 370 HA LEU 81 HA LEU 81 -8.545 -7.241 5.141 371 HG LEU 81 HG LEU 81 -7.389 -7.162 2.965 372 HB2 LEU 81 HB2 LEU 81 -6.802 -9.596 4.654 373 HB3 LEU 81 HB3 LEU 81 -8.207 -9.420 3.626 374 HD11 LEU 81 HD11 LEU 81 -6.013 -6.693 4.933 375 HD12 LEU 81 HD12 LEU 81 -4.884 -7.952 4.435 376 HD13 LEU 81 HD13 LEU 81 -5.108 -6.519 3.429 377 HD21 LEU 81 HD21 LEU 81 -5.500 -9.457 2.482 378 HD22 LEU 81 HD22 LEU 81 -6.963 -9.097 1.568 379 HD23 LEU 81 HD23 LEU 81 -5.596 -7.986 1.514 380 H PHE 82 H PHE 82 -8.548 -10.337 6.825 381 HA PHE 82 HA PHE 82 -11.172 -11.088 6.140 382 HD1 PHE 82 HD1 PHE 82 -8.253 -12.842 6.238 383 HD2 PHE 82 HD2 PHE 82 -12.085 -13.923 7.691 384 HE1 PHE 82 HE1 PHE 82 -8.149 -14.945 4.950 385 HE2 PHE 82 HE2 PHE 82 -11.998 -16.025 6.413 386 HZ PHE 82 HZ PHE 82 -10.021 -16.536 5.040 387 HB2 PHE 82 HB2 PHE 82 -9.290 -11.835 8.300 388 HB3 PHE 82 HB3 PHE 82 -10.989 -12.136 8.605 389 H ASP 83 H ASP 83 -10.034 -8.603 8.152 390 HA ASP 83 HA ASP 83 -12.724 -8.173 9.242 391 HB2 ASP 83 HB2 ASP 83 -10.110 -6.778 9.778 392 HB3 ASP 83 HB3 ASP 83 -11.639 -6.321 10.516 393 H GLN 84 H GLN 84 -10.733 -7.246 6.662 394 HA GLN 84 HA GLN 84 -12.464 -4.974 6.000 395 HB2 GLN 84 HB2 GLN 84 -9.527 -4.863 6.486 396 HB3 GLN 84 HB3 GLN 84 -10.192 -3.877 5.202 397 HG2 GLN 84 HG2 GLN 84 -10.412 -2.339 6.799 398 HG3 GLN 84 HG3 GLN 84 -11.862 -3.249 7.234 399 HE21 GLN 84 HE21 GLN 84 -8.592 -4.386 7.730 400 HE22 GLN 84 HE22 GLN 84 -8.619 -4.286 9.449 401 H GLY 85 H GLY 85 -13.296 -6.252 4.284 402 HA2 GLY 85 HA2 GLY 85 -13.186 -5.934 1.898 403 HA3 GLY 85 HA3 GLY 85 -11.447 -6.136 1.999 404 H VAL 86 H VAL 86 -10.592 -8.329 2.322 405 HA VAL 86 HA VAL 86 -12.368 -10.106 0.818 406 HB VAL 86 HB VAL 86 -10.404 -11.202 -0.031 407 HG11 VAL 86 HG11 VAL 86 -11.191 -9.226 -1.222 408 HG12 VAL 86 HG12 VAL 86 -10.125 -8.211 -0.249 409 HG13 VAL 86 HG13 VAL 86 -9.440 -9.397 -1.361 410 HG21 VAL 86 HG21 VAL 86 -8.947 -11.036 1.909 411 HG22 VAL 86 HG22 VAL 86 -8.136 -10.448 0.456 412 HG23 VAL 86 HG23 VAL 86 -8.772 -9.301 1.634 413 H LYS 87 H LYS 87 -12.851 -12.103 1.495 414 HA LYS 87 HA LYS 87 -11.454 -13.109 3.890 415 HB2 LYS 87 HB2 LYS 87 -14.156 -14.058 2.939 416 HB3 LYS 87 HB3 LYS 87 -13.422 -14.269 4.525 417 HG2 LYS 87 HG2 LYS 87 -14.304 -11.626 3.389 418 HG3 LYS 87 HG3 LYS 87 -15.260 -12.618 4.489 419 HD2 LYS 87 HD2 LYS 87 -13.910 -12.174 6.283 420 HD3 LYS 87 HD3 LYS 87 -12.474 -11.870 5.291 421 HE2 LYS 87 HE2 LYS 87 -13.308 -9.800 6.281 422 HE3 LYS 87 HE3 LYS 87 -13.483 -9.758 4.528 423 HZ1 LYS 87 HZ1 LYS 87 -15.431 -8.920 5.790 424 HZ2 LYS 87 HZ2 LYS 87 -15.683 -10.491 6.378 425 HZ3 LYS 87 HZ3 LYS 87 -15.798 -10.175 4.716 426 H THR 88 H THR 88 -9.828 -13.774 2.284 427 HA THR 88 HA THR 88 -10.698 -16.133 0.790 428 HB THR 88 HB THR 88 -9.907 -14.643 -0.818 429 HG1 THR 88 HG1 THR 88 -8.963 -16.724 -1.030 430 HG21 THR 88 HG21 THR 88 -7.757 -13.450 -0.700 431 HG22 THR 88 HG22 THR 88 -7.511 -14.080 0.928 432 HG23 THR 88 HG23 THR 88 -8.852 -12.983 0.600 433 H ASP 89 H ASP 89 -7.275 -15.606 1.269 434 HA ASP 89 HA ASP 89 -7.077 -17.134 3.646 435 HB2 ASP 89 HB2 ASP 89 -7.827 -18.932 2.177 436 HB3 ASP 89 HB3 ASP 89 -6.556 -18.552 1.024 437 H GLY 90 H GLY 90 -5.231 -16.721 4.562 438 HA2 GLY 90 HA2 GLY 90 -2.959 -16.792 4.862 439 HA3 GLY 90 HA3 GLY 90 -2.800 -17.231 3.173 440 H THR 91 H THR 91 -1.579 -15.926 2.122 441 HA THR 91 HA THR 91 -1.326 -13.132 2.994 442 HB THR 91 HB THR 91 0.652 -14.925 1.574 443 HG1 THR 91 HG1 THR 91 0.086 -14.885 4.077 444 HG21 THR 91 HG21 THR 91 2.265 -13.107 1.877 445 HG22 THR 91 HG22 THR 91 0.991 -12.087 2.541 446 HG23 THR 91 HG23 THR 91 0.916 -12.606 0.857 447 H VAL 92 H VAL 92 -2.071 -11.618 1.614 448 HA VAL 92 HA VAL 92 -2.234 -12.293 -1.242 449 HB VAL 92 HB VAL 92 -3.698 -10.435 -1.562 450 HG11 VAL 92 HG11 VAL 92 -5.558 -11.110 0.041 451 HG12 VAL 92 HG12 VAL 92 -4.873 -12.359 -1.002 452 HG13 VAL 92 HG13 VAL 92 -4.395 -12.267 0.689 453 HG21 VAL 92 HG21 VAL 92 -3.335 -9.828 1.365 454 HG22 VAL 92 HG22 VAL 92 -2.726 -8.869 0.013 455 HG23 VAL 92 HG23 VAL 92 -4.464 -9.021 0.272 456 H GLN 93 H GLN 93 -1.615 -10.596 -2.768 457 HA GLN 93 HA GLN 93 0.786 -9.199 -1.821 458 HB2 GLN 93 HB2 GLN 93 0.743 -10.846 -3.839 459 HB3 GLN 93 HB3 GLN 93 -0.025 -9.527 -4.705 460 HG2 GLN 93 HG2 GLN 93 2.614 -9.208 -3.316 461 HG3 GLN 93 HG3 GLN 93 2.483 -9.807 -4.967 462 HE21 GLN 93 HE21 GLN 93 2.250 -7.068 -2.891 463 HE22 GLN 93 HE22 GLN 93 2.048 -5.878 -4.127 464 H LEU 94 H LEU 94 0.649 -7.112 -1.485 465 HA LEU 94 HA LEU 94 -1.805 -5.718 -2.319 466 HG LEU 94 HG LEU 94 -1.924 -5.194 1.309 467 HB2 LEU 94 HB2 LEU 94 0.172 -4.991 -0.158 468 HB3 LEU 94 HB3 LEU 94 -1.258 -4.067 -0.564 469 HD11 LEU 94 HD11 LEU 94 -2.726 -6.970 -0.965 470 HD12 LEU 94 HD12 LEU 94 -3.443 -7.007 0.648 471 HD13 LEU 94 HD13 LEU 94 -3.577 -5.560 -0.340 472 HD21 LEU 94 HD21 LEU 94 0.038 -6.578 1.616 473 HD22 LEU 94 HD22 LEU 94 -1.423 -7.546 1.811 474 HD23 LEU 94 HD23 LEU 94 -0.489 -7.651 0.319 475 H SER 95 H SER 95 -1.553 -4.534 -4.127 476 HA SER 95 HA SER 95 0.887 -3.002 -4.505 477 HG SER 95 HG SER 95 -0.657 -4.686 -6.943 478 HB2 SER 95 HB2 SER 95 -1.724 -3.093 -6.042 479 HB3 SER 95 HB3 SER 95 -0.405 -1.994 -6.447 480 H VAL 96 H VAL 96 0.668 -2.120 -2.398 481 HA VAL 96 HA VAL 96 -1.397 -0.128 -1.952 482 HB VAL 96 HB VAL 96 -0.989 -1.490 -0.081 483 HG11 VAL 96 HG11 VAL 96 1.151 -2.415 -0.685 484 HG12 VAL 96 HG12 VAL 96 1.948 -0.865 -0.403 485 HG13 VAL 96 HG13 VAL 96 1.243 -1.755 0.949 486 HG21 VAL 96 HG21 VAL 96 -1.294 0.866 0.459 487 HG22 VAL 96 HG22 VAL 96 -0.267 0.061 1.641 488 HG23 VAL 96 HG23 VAL 96 0.452 1.112 0.422 489 H GLN 97 H GLN 97 -1.142 2.016 -1.869 490 HA GLN 97 HA GLN 97 1.379 3.111 -2.945 491 HB2 GLN 97 HB2 GLN 97 -1.481 4.018 -3.251 492 HB3 GLN 97 HB3 GLN 97 -0.108 4.945 -3.806 493 HG2 GLN 97 HG2 GLN 97 0.500 3.016 -5.270 494 HG3 GLN 97 HG3 GLN 97 -1.020 2.266 -4.778 495 HE21 GLN 97 HE21 GLN 97 -2.378 4.855 -4.644 496 HE22 GLN 97 HE22 GLN 97 -2.699 5.298 -6.280 497 H VAL 98 H VAL 98 2.178 5.031 -2.098 498 HA VAL 98 HA VAL 98 0.958 5.949 0.385 499 HB VAL 98 HB VAL 98 3.045 6.267 1.052 500 HG11 VAL 98 HG11 VAL 98 3.985 5.858 -1.771 501 HG12 VAL 98 HG12 VAL 98 5.005 5.862 -0.333 502 HG13 VAL 98 HG13 VAL 98 3.781 4.609 -0.544 503 HG21 VAL 98 HG21 VAL 98 2.649 8.600 0.375 504 HG22 VAL 98 HG22 VAL 98 4.355 8.149 0.311 505 HG23 VAL 98 HG23 VAL 98 3.415 8.252 -1.180 506 H ILE 99 H ILE 99 -0.539 7.378 0.288 507 HA ILE 99 HA ILE 99 -0.676 9.250 -1.979 508 HB ILE 99 HB ILE 99 -2.810 8.313 -0.061 509 HG12 ILE 99 HG12 ILE 99 -2.467 7.879 -3.033 510 HG13 ILE 99 HG13 ILE 99 -2.299 6.661 -1.769 511 HG21 ILE 99 HG21 ILE 99 -3.028 10.305 -2.308 512 HG22 ILE 99 HG22 ILE 99 -4.380 9.645 -1.390 513 HG23 ILE 99 HG23 ILE 99 -3.172 10.644 -0.583 514 HD11 ILE 99 HD11 ILE 99 -4.817 8.110 -2.556 515 HD12 ILE 99 HD12 ILE 99 -4.433 6.408 -2.822 516 HD13 ILE 99 HD13 ILE 99 -4.684 7.011 -1.180 517 H SER 100 H SER 100 0.397 11.149 -1.309 518 HA SER 100 HA SER 100 -1.260 12.517 0.688 519 HG SER 100 HG SER 100 1.827 13.505 -0.844 520 HB2 SER 100 HB2 SER 100 0.702 13.996 1.149 521 HB3 SER 100 HB3 SER 100 0.980 12.316 1.594 522 H TYR 101 H TYR 101 -2.729 13.260 -0.771 523 HA TYR 101 HA TYR 101 -1.919 14.319 -3.320 524 HD1 TYR 101 HD1 TYR 101 -2.473 13.388 -5.022 525 HD2 TYR 101 HD2 TYR 101 -5.685 11.902 -2.641 526 HE1 TYR 101 HE1 TYR 101 -2.600 11.381 -6.440 527 HE2 TYR 101 HE2 TYR 101 -5.805 9.900 -4.047 528 HH TYR 101 HH TYR 101 -5.187 9.321 -6.474 529 HB2 TYR 101 HB2 TYR 101 -4.569 13.871 -1.978 530 HB3 TYR 101 HB3 TYR 101 -4.469 14.854 -3.431 531 H GLN 102 H GLN 102 -0.786 16.191 -3.034 532 HA GLN 102 HA GLN 102 -0.444 18.429 -2.829 533 HB2 GLN 102 HB2 GLN 102 -3.460 18.646 -2.876 534 HB3 GLN 102 HB3 GLN 102 -2.315 19.934 -3.223 535 HG2 GLN 102 HG2 GLN 102 -2.841 19.348 -5.336 536 HG3 GLN 102 HG3 GLN 102 -1.512 18.221 -5.069 537 HE21 GLN 102 HE21 GLN 102 -4.661 17.872 -3.586 538 HE22 GLN 102 HE22 GLN 102 -5.146 16.468 -4.482 539 H GLY 103 H GLY 103 -0.665 16.899 -0.364 540 HA2 GLY 103 HA2 GLY 103 -0.278 17.758 1.816 541 HA3 GLY 103 HA3 GLY 103 -1.271 19.151 1.412 542 H MET 104 H MET 104 -2.688 16.282 0.382 543 HA MET 104 HA MET 104 -4.763 16.375 2.327 544 HB2 MET 104 HB2 MET 104 -4.127 14.608 0.003 545 HB3 MET 104 HB3 MET 104 -5.262 14.024 1.212 546 HG2 MET 104 HG2 MET 104 -5.542 16.625 -0.278 547 HG3 MET 104 HG3 MET 104 -6.336 15.114 -0.725 548 HE1 MET 104 HE1 MET 104 -7.050 13.864 2.077 549 HE2 MET 104 HE2 MET 104 -8.672 14.494 2.368 550 HE3 MET 104 HE3 MET 104 -8.221 13.927 0.760 551 H GLU 105 H GLU 105 -5.363 14.110 3.352 552 HA GLU 105 HA GLU 105 -3.317 13.686 5.279 553 HB2 GLU 105 HB2 GLU 105 -4.985 12.010 6.198 554 HB3 GLU 105 HB3 GLU 105 -5.540 13.673 6.085 555 HG2 GLU 105 HG2 GLU 105 -6.538 12.979 3.827 556 HG3 GLU 105 HG3 GLU 105 -6.290 11.325 4.387 557 HA PRO 106 HA PRO 106 -0.974 10.687 2.906 558 HB2 PRO 106 HB2 PRO 106 0.203 9.881 5.376 559 HB3 PRO 106 HB3 PRO 106 0.900 10.915 4.128 560 HG2 PRO 106 HG2 PRO 106 -0.478 11.661 6.641 561 HG3 PRO 106 HG3 PRO 106 0.778 12.529 5.745 562 HD2 PRO 106 HD2 PRO 106 -1.764 13.368 5.721 563 HD3 PRO 106 HD3 PRO 106 -0.752 13.455 4.266 564 H LYS 107 H LYS 107 -2.078 9.017 2.278 565 HA LYS 107 HA LYS 107 -2.837 6.960 4.263 566 HB2 LYS 107 HB2 LYS 107 -4.140 7.732 1.661 567 HB3 LYS 107 HB3 LYS 107 -4.470 6.207 2.467 568 HG2 LYS 107 HG2 LYS 107 -5.379 7.354 4.369 569 HG3 LYS 107 HG3 LYS 107 -4.927 8.918 3.689 570 HD2 LYS 107 HD2 LYS 107 -6.755 6.970 2.315 571 HD3 LYS 107 HD3 LYS 107 -7.342 8.264 3.372 572 HE2 LYS 107 HE2 LYS 107 -5.919 9.799 1.831 573 HE3 LYS 107 HE3 LYS 107 -5.980 8.431 0.713 574 HZ1 LYS 107 HZ1 LYS 107 -8.451 9.528 1.912 575 HZ2 LYS 107 HZ2 LYS 107 -8.273 8.606 0.493 576 HZ3 LYS 107 HZ3 LYS 107 -7.774 10.223 0.525 577 H LEU 108 H LEU 108 -2.120 4.880 3.905 578 HA LEU 108 HA LEU 108 -0.729 4.357 1.361 579 HG LEU 108 HG LEU 108 1.821 2.910 3.182 580 HB2 LEU 108 HB2 LEU 108 -0.819 2.806 3.957 581 HB3 LEU 108 HB3 LEU 108 -0.140 2.147 2.489 582 HD11 LEU 108 HD11 LEU 108 1.399 4.667 1.580 583 HD12 LEU 108 HD12 LEU 108 0.625 5.644 2.830 584 HD13 LEU 108 HD13 LEU 108 2.346 5.276 2.937 585 HD21 LEU 108 HD21 LEU 108 1.026 2.965 5.451 586 HD22 LEU 108 HD22 LEU 108 2.097 4.335 5.158 587 HD23 LEU 108 HD23 LEU 108 0.350 4.578 5.207 588 H ASN 109 H ASN 109 -2.316 3.825 -0.160 589 HA ASN 109 HA ASN 109 -4.490 2.103 0.814 590 HB2 ASN 109 HB2 ASN 109 -5.598 2.585 -1.361 591 HB3 ASN 109 HB3 ASN 109 -5.462 3.955 -0.288 592 HD21 ASN 109 HD21 ASN 109 -5.939 4.031 -3.074 593 HD22 ASN 109 HD22 ASN 109 -4.609 4.838 -3.828 594 H ILE 110 H ILE 110 -4.627 0.109 0.296 595 HA ILE 110 HA ILE 110 -2.932 -1.104 -1.672 596 HB ILE 110 HB ILE 110 -5.402 -2.265 -0.414 597 HG12 ILE 110 HG12 ILE 110 -2.569 -2.170 0.621 598 HG13 ILE 110 HG13 ILE 110 -3.965 -1.380 1.333 599 HG21 ILE 110 HG21 ILE 110 -2.922 -3.662 -1.362 600 HG22 ILE 110 HG22 ILE 110 -4.481 -4.368 -0.937 601 HG23 ILE 110 HG23 ILE 110 -4.326 -3.388 -2.391 602 HD11 ILE 110 HD11 ILE 110 -3.625 -4.355 1.095 603 HD12 ILE 110 HD12 ILE 110 -3.302 -3.396 2.543 604 HD13 ILE 110 HD13 ILE 110 -4.941 -3.499 1.897 605 H LEU 111 H LEU 111 -3.329 -1.037 -3.803 606 HA LEU 111 HA LEU 111 -6.076 -0.443 -4.632 607 HG LEU 111 HG LEU 111 -4.219 2.049 -6.621 608 HB2 LEU 111 HB2 LEU 111 -3.456 -0.280 -6.114 609 HB3 LEU 111 HB3 LEU 111 -5.001 -0.164 -6.930 610 HD11 LEU 111 HD11 LEU 111 -5.923 3.043 -5.185 611 HD12 LEU 111 HD12 LEU 111 -6.595 1.754 -6.186 612 HD13 LEU 111 HD13 LEU 111 -6.253 1.461 -4.481 613 HD21 LEU 111 HD21 LEU 111 -3.582 2.954 -4.458 614 HD22 LEU 111 HD22 LEU 111 -3.833 1.374 -3.716 615 HD23 LEU 111 HD23 LEU 111 -2.554 1.595 -4.910 616 H GLU 112 H GLU 112 -4.234 -3.125 -4.032 617 HA GLU 112 HA GLU 112 -5.655 -4.743 -5.947 618 HB2 GLU 112 HB2 GLU 112 -3.878 -3.952 -7.366 619 HB3 GLU 112 HB3 GLU 112 -2.673 -4.337 -6.149 620 HG2 GLU 112 HG2 GLU 112 -3.054 -6.682 -6.435 621 HG3 GLU 112 HG3 GLU 112 -4.386 -6.369 -7.549 622 H ILE 113 H ILE 113 -6.235 -6.433 -4.858 623 HA ILE 113 HA ILE 113 -4.325 -7.626 -2.959 624 HB ILE 113 HB ILE 113 -7.346 -7.654 -2.879 625 HG12 ILE 113 HG12 ILE 113 -5.238 -6.583 -0.996 626 HG13 ILE 113 HG13 ILE 113 -6.408 -5.643 -1.916 627 HG21 ILE 113 HG21 ILE 113 -6.552 -9.864 -2.345 628 HG22 ILE 113 HG22 ILE 113 -5.399 -9.200 -1.188 629 HG23 ILE 113 HG23 ILE 113 -7.130 -9.064 -0.884 630 HD11 ILE 113 HD11 ILE 113 -8.219 -6.709 -0.647 631 HD12 ILE 113 HD12 ILE 113 -7.006 -7.572 0.305 632 HD13 ILE 113 HD13 ILE 113 -7.101 -5.809 0.382 633 H VAL 114 H VAL 114 -3.450 -9.410 -3.798 634 HA VAL 114 HA VAL 114 -5.273 -11.239 -5.156 635 HB VAL 114 HB VAL 114 -3.390 -11.970 -6.631 636 HG11 VAL 114 HG11 VAL 114 -3.470 -10.028 -8.145 637 HG12 VAL 114 HG12 VAL 114 -5.057 -10.430 -7.489 638 HG13 VAL 114 HG13 VAL 114 -4.157 -9.061 -6.839 639 HG21 VAL 114 HG21 VAL 114 -1.432 -10.526 -6.890 640 HG22 VAL 114 HG22 VAL 114 -1.997 -9.515 -5.560 641 HG23 VAL 114 HG23 VAL 114 -1.520 -11.186 -5.256 642 H LYS 115 H LYS 115 -5.512 -12.914 -3.857 643 HA LYS 115 HA LYS 115 -3.808 -13.600 -1.778 644 HB2 LYS 115 HB2 LYS 115 -5.052 -15.641 -1.531 645 HB3 LYS 115 HB3 LYS 115 -6.171 -14.349 -1.937 646 HG2 LYS 115 HG2 LYS 115 -6.767 -15.301 -3.884 647 HG3 LYS 115 HG3 LYS 115 -5.132 -15.877 -4.225 648 HD2 LYS 115 HD2 LYS 115 -7.131 -17.108 -2.329 649 HD3 LYS 115 HD3 LYS 115 -6.565 -17.765 -3.862 650 HE2 LYS 115 HE2 LYS 115 -4.678 -17.164 -1.619 651 HE3 LYS 115 HE3 LYS 115 -5.526 -18.706 -1.722 652 HZ1 LYS 115 HZ1 LYS 115 -3.755 -17.595 -3.835 653 HZ2 LYS 115 HZ2 LYS 115 -4.499 -19.119 -3.840 654 HZ3 LYS 115 HZ3 LYS 115 -3.297 -18.771 -2.703 655 H THR 116 H THR 116 -1.900 -14.346 -1.803 656 HA THR 116 HA THR 116 0.084 -15.213 -2.439 657 HB THR 116 HB THR 116 -1.730 -17.185 -3.814 658 HG1 THR 116 HG1 THR 116 -1.156 -18.470 -2.006 659 HG21 THR 116 HG21 THR 116 0.406 -17.173 -4.947 660 HG22 THR 116 HG22 THR 116 0.227 -18.650 -3.992 661 HG23 THR 116 HG23 THR 116 1.252 -17.335 -3.405 662 H ALA 117 H ALA 117 -1.575 -16.058 -5.448 663 HA ALA 117 HA ALA 117 -0.325 -13.903 -6.915 664 HB1 ALA 117 HB1 ALA 117 0.874 -15.382 -8.464 665 HB2 ALA 117 HB2 ALA 117 1.499 -15.522 -6.822 666 HB3 ALA 117 HB3 ALA 117 0.437 -16.772 -7.468 667 H GLU 118 H GLU 118 -2.210 -16.875 -6.854 668 HA GLU 118 HA GLU 118 -3.580 -16.251 -9.302 669 HB2 GLU 118 HB2 GLU 118 -5.099 -18.117 -8.696 670 HB3 GLU 118 HB3 GLU 118 -3.410 -18.586 -8.722 671 HG2 GLU 118 HG2 GLU 118 -4.842 -17.868 -6.185 672 HG3 GLU 118 HG3 GLU 118 -4.840 -19.500 -6.849 673 H THR 119 H THR 119 -4.177 -14.240 -8.982 674 HA THR 119 HA THR 119 -5.143 -12.718 -7.115 675 HB THR 119 HB THR 119 -4.968 -11.976 -9.410 676 HG1 THR 119 HG1 THR 119 -7.501 -11.506 -8.195 677 HG21 THR 119 HG21 THR 119 -7.559 -13.445 -9.893 678 HG22 THR 119 HG22 THR 119 -5.978 -13.890 -10.536 679 HG23 THR 119 HG23 THR 119 -6.747 -12.385 -11.043 680 H VAL 120 H VAL 120 -6.522 -12.845 -5.522 681 HA VAL 120 HA VAL 120 -9.028 -14.254 -5.708 682 HB VAL 120 HB VAL 120 -7.873 -14.037 -3.537 683 HG11 VAL 120 HG11 VAL 120 -7.883 -11.884 -2.345 684 HG12 VAL 120 HG12 VAL 120 -6.877 -11.850 -3.794 685 HG13 VAL 120 HG13 VAL 120 -8.474 -11.098 -3.810 686 HG21 VAL 120 HG21 VAL 120 -10.567 -12.694 -3.681 687 HG22 VAL 120 HG22 VAL 120 -10.246 -14.416 -3.482 688 HG23 VAL 120 HG23 VAL 120 -9.823 -13.286 -2.196 689 H GLU 121 H GLU 121 -11.106 -13.239 -5.782 690 HA GLU 121 HA GLU 121 -11.058 -10.458 -6.714 691 HB2 GLU 121 HB2 GLU 121 -12.527 -12.780 -7.973 692 HB3 GLU 121 HB3 GLU 121 -12.802 -11.094 -8.395 693 HG2 GLU 121 HG2 GLU 121 -10.595 -10.860 -9.247 694 HG3 GLU 121 HG3 GLU 121 -10.119 -12.432 -8.604 695 H TRP 122 H TRP 122 -13.025 -9.310 -6.445 696 HA TRP 122 HA TRP 122 -14.397 -10.042 -4.008 697 HD1 TRP 122 HD1 TRP 122 -14.825 -6.977 -2.169 698 HE1 TRP 122 HE1 TRP 122 -12.621 -6.108 -1.172 699 HE3 TRP 122 HE3 TRP 122 -11.679 -8.056 -6.056 700 HZ2 TRP 122 HZ2 TRP 122 -9.907 -5.906 -1.929 701 HZ3 TRP 122 HZ3 TRP 122 -9.297 -7.497 -5.840 702 HH2 TRP 122 HH2 TRP 122 -8.432 -6.440 -3.819 703 HB2 TRP 122 HB2 TRP 122 -14.442 -7.611 -5.791 704 HB3 TRP 122 HB3 TRP 122 -15.584 -7.804 -4.470 Start of MODEL 2 1 HA MET 34 HA MET 34 1.106 12.172 -7.230 2 H1 MET 34 H1 MET 34 3.535 12.081 -6.896 3 H2 MET 34 H2 MET 34 3.355 10.528 -6.228 4 H3 MET 34 H3 MET 34 2.623 11.868 -5.486 5 HB2 MET 34 HB2 MET 34 1.120 10.734 -9.234 6 HB3 MET 34 HB3 MET 34 2.592 11.682 -9.100 7 HG2 MET 34 HG2 MET 34 3.766 9.711 -8.232 8 HG3 MET 34 HG3 MET 34 2.287 8.769 -8.399 9 HE1 MET 34 HE1 MET 34 4.857 7.636 -9.648 10 HE2 MET 34 HE2 MET 34 3.267 6.913 -9.895 11 HE3 MET 34 HE3 MET 34 4.325 7.209 -11.274 12 H ALA 35 H ALA 35 2.327 8.933 -6.493 13 HA ALA 35 HA ALA 35 0.258 8.024 -4.894 14 HB1 ALA 35 HB1 ALA 35 -0.118 7.243 -7.798 15 HB2 ALA 35 HB2 ALA 35 -0.999 6.562 -6.429 16 HB3 ALA 35 HB3 ALA 35 -1.207 8.260 -6.856 17 H GLU 36 H GLU 36 2.423 7.502 -4.163 18 HA GLU 36 HA GLU 36 4.223 6.029 -5.781 19 HB2 GLU 36 HB2 GLU 36 4.358 6.387 -2.792 20 HB3 GLU 36 HB3 GLU 36 5.697 6.131 -3.903 21 HG2 GLU 36 HG2 GLU 36 4.024 8.593 -3.525 22 HG3 GLU 36 HG3 GLU 36 5.762 8.408 -3.316 23 H CYS 37 H CYS 37 3.601 4.039 -6.378 24 HA CYS 37 HA CYS 37 2.277 2.277 -4.500 25 HG CYS 37 HG CYS 37 2.321 2.217 -9.111 26 HB2 CYS 37 HB2 CYS 37 2.199 0.747 -6.536 27 HB3 CYS 37 HB3 CYS 37 1.320 2.267 -6.663 28 H VAL 38 H VAL 38 3.144 0.584 -3.502 29 HA VAL 38 HA VAL 38 5.785 -0.379 -4.376 30 HB VAL 38 HB VAL 38 6.113 0.961 -2.351 31 HG11 VAL 38 HG11 VAL 38 4.117 -0.891 -1.063 32 HG12 VAL 38 HG12 VAL 38 5.095 0.311 -0.220 33 HG13 VAL 38 HG13 VAL 38 3.893 0.825 -1.403 34 HG21 VAL 38 HG21 VAL 38 6.368 -2.000 -1.854 35 HG22 VAL 38 HG22 VAL 38 7.549 -0.956 -2.643 36 HG23 VAL 38 HG23 VAL 38 7.185 -0.739 -0.931 37 H SER 39 H SER 39 6.080 -2.631 -4.226 38 HA SER 39 HA SER 39 3.548 -4.090 -4.000 39 HG SER 39 HG SER 39 5.335 -3.244 -6.445 40 HB2 SER 39 HB2 SER 39 6.147 -4.966 -5.280 41 HB3 SER 39 HB3 SER 39 4.583 -5.773 -5.408 42 H GLN 40 H GLN 40 3.216 -5.041 -2.115 43 HA GLN 40 HA GLN 40 5.273 -6.767 -1.009 44 HB2 GLN 40 HB2 GLN 40 4.382 -4.262 0.260 45 HB3 GLN 40 HB3 GLN 40 4.372 -5.673 1.311 46 HG2 GLN 40 HG2 GLN 40 6.782 -5.070 -0.338 47 HG3 GLN 40 HG3 GLN 40 6.484 -4.168 1.145 48 HE21 GLN 40 HE21 GLN 40 5.216 -6.438 2.468 49 HE22 GLN 40 HE22 GLN 40 6.502 -7.506 2.902 50 H ALA 41 H ALA 41 4.399 -8.252 0.587 51 HA ALA 41 HA ALA 41 1.475 -8.560 0.374 52 HB1 ALA 41 HB1 ALA 41 3.580 -10.709 0.294 53 HB2 ALA 41 HB2 ALA 41 1.835 -10.952 0.186 54 HB3 ALA 41 HB3 ALA 41 2.687 -10.089 -1.094 55 H ILE 42 H ILE 42 0.505 -9.806 2.149 56 HA ILE 42 HA ILE 42 1.981 -10.019 4.607 57 HB ILE 42 HB ILE 42 1.113 -8.340 5.911 58 HG12 ILE 42 HG12 ILE 42 -1.175 -7.937 3.973 59 HG13 ILE 42 HG13 ILE 42 -1.254 -8.903 5.435 60 HG21 ILE 42 HG21 ILE 42 1.200 -6.203 4.766 61 HG22 ILE 42 HG22 ILE 42 2.471 -7.276 4.182 62 HG23 ILE 42 HG23 ILE 42 1.024 -7.014 3.209 63 HD11 ILE 42 HD11 ILE 42 -0.837 -5.941 5.241 64 HD12 ILE 42 HD12 ILE 42 -2.243 -6.793 5.879 65 HD13 ILE 42 HD13 ILE 42 -0.700 -6.865 6.740 66 H ASP 43 H ASP 43 0.422 -10.593 6.453 67 HA ASP 43 HA ASP 43 -1.343 -12.681 5.660 68 HB2 ASP 43 HB2 ASP 43 -0.521 -11.354 8.194 69 HB3 ASP 43 HB3 ASP 43 -2.029 -12.262 8.218 70 H ILE 44 H ILE 44 -3.599 -12.672 5.382 71 HA ILE 44 HA ILE 44 -4.815 -10.026 5.580 72 HB ILE 44 HB ILE 44 -6.386 -10.639 4.039 73 HG12 ILE 44 HG12 ILE 44 -5.968 -13.592 4.433 74 HG13 ILE 44 HG13 ILE 44 -7.071 -12.675 5.450 75 HG21 ILE 44 HG21 ILE 44 -5.305 -11.991 2.283 76 HG22 ILE 44 HG22 ILE 44 -4.245 -10.753 2.956 77 HG23 ILE 44 HG23 ILE 44 -4.052 -12.438 3.438 78 HD11 ILE 44 HD11 ILE 44 -8.227 -13.760 3.602 79 HD12 ILE 44 HD12 ILE 44 -8.345 -12.001 3.509 80 HD13 ILE 44 HD13 ILE 44 -7.227 -12.870 2.456 81 H ASN 45 H ASN 45 -4.731 -13.032 7.212 82 HA ASN 45 HA ASN 45 -7.244 -12.575 8.629 83 HB2 ASN 45 HB2 ASN 45 -5.162 -14.439 9.710 84 HB3 ASN 45 HB3 ASN 45 -6.904 -14.637 9.626 85 HD21 ASN 45 HD21 ASN 45 -3.924 -14.836 7.845 86 HD22 ASN 45 HD22 ASN 45 -4.479 -15.946 6.643 87 H GLU 46 H GLU 46 -4.136 -11.456 8.614 88 HA GLU 46 HA GLU 46 -3.945 -10.878 11.487 89 HB2 GLU 46 HB2 GLU 46 -2.258 -12.434 10.303 90 HB3 GLU 46 HB3 GLU 46 -1.714 -11.013 9.443 91 HG2 GLU 46 HG2 GLU 46 -0.204 -11.513 11.220 92 HG3 GLU 46 HG3 GLU 46 -1.042 -10.006 11.578 93 HA PRO 47 HA PRO 47 -4.378 -6.538 11.100 94 HB2 PRO 47 HB2 PRO 47 -1.743 -5.677 11.592 95 HB3 PRO 47 HB3 PRO 47 -3.004 -5.953 12.800 96 HG2 PRO 47 HG2 PRO 47 -0.890 -7.842 11.803 97 HG3 PRO 47 HG3 PRO 47 -1.395 -7.524 13.476 98 HD2 PRO 47 HD2 PRO 47 -2.308 -9.665 12.362 99 HD3 PRO 47 HD3 PRO 47 -3.510 -8.596 13.102 100 H ILE 48 H ILE 48 -4.538 -5.241 9.358 101 HA ILE 48 HA ILE 48 -2.771 -5.634 7.107 102 HB ILE 48 HB ILE 48 -4.214 -4.299 5.844 103 HG12 ILE 48 HG12 ILE 48 -6.088 -3.042 7.404 104 HG13 ILE 48 HG13 ILE 48 -4.616 -2.832 8.350 105 HG21 ILE 48 HG21 ILE 48 -5.256 -6.363 6.642 106 HG22 ILE 48 HG22 ILE 48 -5.976 -5.463 7.976 107 HG23 ILE 48 HG23 ILE 48 -6.434 -5.090 6.314 108 HD11 ILE 48 HD11 ILE 48 -3.510 -1.861 6.422 109 HD12 ILE 48 HD12 ILE 48 -4.988 -2.060 5.478 110 HD13 ILE 48 HD13 ILE 48 -4.966 -0.968 6.863 111 H GLY 49 H GLY 49 -2.684 -3.768 9.886 112 HA2 GLY 49 HA2 GLY 49 -1.575 -1.389 8.690 113 HA3 GLY 49 HA3 GLY 49 -1.758 -1.697 10.405 114 H ASN 50 H ASN 50 -0.215 -4.355 9.101 115 HA ASN 50 HA ASN 50 2.260 -3.480 10.228 116 HB2 ASN 50 HB2 ASN 50 3.130 -5.678 9.731 117 HB3 ASN 50 HB3 ASN 50 1.515 -5.864 10.387 118 HD21 ASN 50 HD21 ASN 50 0.108 -7.037 9.277 119 HD22 ASN 50 HD22 ASN 50 0.338 -7.603 7.667 120 H LEU 51 H LEU 51 0.804 -2.832 7.376 121 HA LEU 51 HA LEU 51 2.868 -3.008 5.493 122 HG LEU 51 HG LEU 51 1.478 -2.907 3.373 123 HB2 LEU 51 HB2 LEU 51 0.388 -1.395 5.752 124 HB3 LEU 51 HB3 LEU 51 1.597 -0.827 4.616 125 HD11 LEU 51 HD11 LEU 51 -0.537 -3.768 5.435 126 HD12 LEU 51 HD12 LEU 51 -0.155 -4.632 3.942 127 HD13 LEU 51 HD13 LEU 51 1.075 -4.445 5.194 128 HD21 LEU 51 HD21 LEU 51 -1.326 -1.979 3.929 129 HD22 LEU 51 HD22 LEU 51 -0.166 -1.070 2.960 130 HD23 LEU 51 HD23 LEU 51 -0.688 -2.670 2.438 131 H LYS 52 H LYS 52 2.396 -0.911 8.182 132 HA LYS 52 HA LYS 52 4.171 1.159 7.333 133 HB2 LYS 52 HB2 LYS 52 3.279 0.301 10.091 134 HB3 LYS 52 HB3 LYS 52 4.346 1.663 9.804 135 HG2 LYS 52 HG2 LYS 52 2.502 2.683 8.401 136 HG3 LYS 52 HG3 LYS 52 1.463 1.375 9.004 137 HD2 LYS 52 HD2 LYS 52 1.923 2.060 11.312 138 HD3 LYS 52 HD3 LYS 52 2.957 3.360 10.721 139 HE2 LYS 52 HE2 LYS 52 0.795 4.251 11.313 140 HE3 LYS 52 HE3 LYS 52 1.018 4.336 9.564 141 HZ1 LYS 52 HZ1 LYS 52 -0.408 2.517 9.247 142 HZ2 LYS 52 HZ2 LYS 52 -1.207 3.528 10.347 143 HZ3 LYS 52 HZ3 LYS 52 -0.429 2.118 10.891 144 H LYS 53 H LYS 53 4.500 -1.982 8.787 145 HA LYS 53 HA LYS 53 7.258 -1.500 9.581 146 HB2 LYS 53 HB2 LYS 53 5.855 -4.143 9.812 147 HB3 LYS 53 HB3 LYS 53 7.139 -3.483 10.814 148 HG2 LYS 53 HG2 LYS 53 4.261 -2.605 10.769 149 HG3 LYS 53 HG3 LYS 53 5.070 -3.514 12.041 150 HD2 LYS 53 HD2 LYS 53 5.948 -0.755 11.204 151 HD3 LYS 53 HD3 LYS 53 4.732 -1.028 12.452 152 HE2 LYS 53 HE2 LYS 53 6.581 -0.905 13.768 153 HE3 LYS 53 HE3 LYS 53 6.597 -2.629 13.412 154 HZ1 LYS 53 HZ1 LYS 53 8.160 -0.609 11.883 155 HZ2 LYS 53 HZ2 LYS 53 8.276 -2.297 11.767 156 HZ3 LYS 53 HZ3 LYS 53 8.778 -1.510 13.179 157 H LEU 54 H LEU 54 5.424 -3.357 7.207 158 HA LEU 54 HA LEU 54 7.759 -4.770 6.278 159 HG LEU 54 HG LEU 54 6.816 -7.034 5.994 160 HB2 LEU 54 HB2 LEU 54 4.868 -4.760 5.577 161 HB3 LEU 54 HB3 LEU 54 6.000 -5.351 4.378 162 HD11 LEU 54 HD11 LEU 54 6.311 -5.852 8.069 163 HD12 LEU 54 HD12 LEU 54 4.585 -6.022 7.748 164 HD13 LEU 54 HD13 LEU 54 5.570 -7.452 8.045 165 HD21 LEU 54 HD21 LEU 54 4.859 -8.469 5.914 166 HD22 LEU 54 HD22 LEU 54 3.833 -7.071 5.584 167 HD23 LEU 54 HD23 LEU 54 5.040 -7.577 4.402 168 H LEU 55 H LEU 55 6.000 -1.898 5.374 169 HA LEU 55 HA LEU 55 7.595 -1.671 2.928 170 HG LEU 55 HG LEU 55 4.389 -0.639 1.612 171 HB2 LEU 55 HB2 LEU 55 5.236 -0.124 3.968 172 HB3 LEU 55 HB3 LEU 55 6.201 0.450 2.620 173 HD11 LEU 55 HD11 LEU 55 6.721 -2.531 1.763 174 HD12 LEU 55 HD12 LEU 55 5.371 -2.718 0.640 175 HD13 LEU 55 HD13 LEU 55 6.405 -1.292 0.550 176 HD21 LEU 55 HD21 LEU 55 3.478 -1.755 3.571 177 HD22 LEU 55 HD22 LEU 55 3.613 -2.880 2.219 178 HD23 LEU 55 HD23 LEU 55 4.793 -2.931 3.530 179 H GLU 56 H GLU 56 7.686 -0.835 6.143 180 HA GLU 56 HA GLU 56 8.991 1.534 6.382 181 HB2 GLU 56 HB2 GLU 56 8.386 -0.233 8.138 182 HB3 GLU 56 HB3 GLU 56 9.930 -0.975 7.762 183 HG2 GLU 56 HG2 GLU 56 11.106 0.972 8.519 184 HG3 GLU 56 HG3 GLU 56 9.587 1.842 8.749 185 HA PRO 57 HA PRO 57 13.214 -0.400 5.024 186 HB2 PRO 57 HB2 PRO 57 13.121 -2.832 3.787 187 HB3 PRO 57 HB3 PRO 57 13.449 -2.622 5.512 188 HG2 PRO 57 HG2 PRO 57 10.945 -3.425 4.123 189 HG3 PRO 57 HG3 PRO 57 11.602 -3.984 5.671 190 HD2 PRO 57 HD2 PRO 57 9.563 -2.189 5.441 191 HD3 PRO 57 HD3 PRO 57 10.674 -2.245 6.824 192 H ARG 58 H ARG 58 10.448 -1.447 3.080 193 HA ARG 58 HA ARG 58 11.648 -1.384 0.562 194 HE ARG 58 HE ARG 58 11.958 -3.197 1.151 195 HB2 ARG 58 HB2 ARG 58 8.863 -1.325 1.582 196 HB3 ARG 58 HB3 ARG 58 9.111 -0.837 -0.083 197 HG2 ARG 58 HG2 ARG 58 8.526 -3.163 0.002 198 HG3 ARG 58 HG3 ARG 58 10.196 -3.002 -0.533 199 HD2 ARG 58 HD2 ARG 58 9.574 -3.468 2.357 200 HD3 ARG 58 HD3 ARG 58 9.558 -4.813 1.219 201 HH11 ARG 58 HH12 ARG 58 10.364 -5.985 2.555 202 HH12 ARG 58 HH11 ARG 58 11.849 -6.757 3.021 203 HH21 ARG 58 HH22 ARG 58 13.890 -4.188 1.761 204 HH22 ARG 58 HH21 ARG 58 13.866 -5.729 2.569 205 H LEU 59 H LEU 59 9.889 1.163 2.300 206 HA LEU 59 HA LEU 59 10.333 2.961 0.039 207 HG LEU 59 HG LEU 59 7.687 1.672 1.057 208 HB2 LEU 59 HB2 LEU 59 8.718 3.362 2.559 209 HB3 LEU 59 HB3 LEU 59 8.796 4.478 1.210 210 HD11 LEU 59 HD11 LEU 59 6.302 3.134 2.452 211 HD12 LEU 59 HD12 LEU 59 6.249 4.323 1.150 212 HD13 LEU 59 HD13 LEU 59 5.502 2.742 0.929 213 HD21 LEU 59 HD21 LEU 59 7.657 3.942 -0.934 214 HD22 LEU 59 HD22 LEU 59 8.614 2.465 -1.059 215 HD23 LEU 59 HD23 LEU 59 6.853 2.384 -1.131 216 H GLN 60 H GLN 60 11.783 2.139 2.935 217 HA GLN 60 HA GLN 60 13.287 3.079 4.358 218 HB2 GLN 60 HB2 GLN 60 13.832 4.833 1.960 219 HB3 GLN 60 HB3 GLN 60 14.862 4.725 3.382 220 HG2 GLN 60 HG2 GLN 60 15.201 2.331 2.926 221 HG3 GLN 60 HG3 GLN 60 14.230 2.497 1.462 222 HE21 GLN 60 HE21 GLN 60 15.943 1.886 0.134 223 HE22 GLN 60 HE22 GLN 60 17.295 2.924 -0.163 224 H CYS 61 H CYS 61 10.642 3.994 4.342 225 HA CYS 61 HA CYS 61 10.923 6.810 5.190 226 HG CYS 61 HG CYS 61 10.614 6.087 2.147 227 HB2 CYS 61 HB2 CYS 61 8.491 5.401 4.067 228 HB3 CYS 61 HB3 CYS 61 8.516 7.066 4.644 229 H SER 62 H SER 62 9.605 7.498 6.979 230 HA SER 62 HA SER 62 8.953 5.381 8.873 231 HG SER 62 HG SER 62 10.808 6.484 9.783 232 HB2 SER 62 HB2 SER 62 8.803 8.399 9.174 233 HB3 SER 62 HB3 SER 62 8.604 7.217 10.470 234 H LEU 63 H LEU 63 6.984 4.568 8.937 235 HA LEU 63 HA LEU 63 4.990 5.789 7.171 236 HG LEU 63 HG LEU 63 5.139 2.242 5.987 237 HB2 LEU 63 HB2 LEU 63 5.094 3.022 8.366 238 HB3 LEU 63 HB3 LEU 63 3.797 3.605 7.352 239 HD11 LEU 63 HD11 LEU 63 5.921 5.095 5.463 240 HD12 LEU 63 HD12 LEU 63 6.098 3.759 4.324 241 HD13 LEU 63 HD13 LEU 63 4.491 4.256 4.856 242 HD21 LEU 63 HD21 LEU 63 7.508 3.726 7.078 243 HD22 LEU 63 HD22 LEU 63 7.078 2.033 7.345 244 HD23 LEU 63 HD23 LEU 63 7.566 2.577 5.738 245 H ASP 64 H ASP 64 5.661 6.348 10.170 246 HA ASP 64 HA ASP 64 3.272 5.546 11.552 247 HB2 ASP 64 HB2 ASP 64 4.225 6.686 13.471 248 HB3 ASP 64 HB3 ASP 64 5.449 5.687 12.696 249 H ALA 65 H ALA 65 3.799 7.917 9.358 250 HA ALA 65 HA ALA 65 1.975 9.838 10.621 251 HB1 ALA 65 HB1 ALA 65 3.990 10.765 9.578 252 HB2 ALA 65 HB2 ALA 65 3.520 10.054 8.035 253 HB3 ALA 65 HB3 ALA 65 2.531 11.322 8.758 254 H HIS 66 H HIS 66 2.432 8.061 7.631 255 HA HIS 66 HA HIS 66 -0.265 8.504 6.806 256 HD2 HIS 66 HD2 HIS 66 2.765 6.833 3.130 257 HE1 HIS 66 HE1 HIS 66 5.560 7.458 6.227 258 HE2 HIS 66 HE2 HIS 66 5.257 7.181 3.738 259 HB2 HIS 66 HB2 HIS 66 0.558 6.724 4.982 260 HB3 HIS 66 HB3 HIS 66 0.779 8.460 4.842 261 H GLU 67 H GLU 67 -1.927 7.427 6.987 262 HA GLU 67 HA GLU 67 -1.978 4.997 8.561 263 HB2 GLU 67 HB2 GLU 67 -4.439 5.355 8.493 264 HB3 GLU 67 HB3 GLU 67 -3.565 6.746 9.113 265 HG2 GLU 67 HG2 GLU 67 -3.717 7.650 6.710 266 HG3 GLU 67 HG3 GLU 67 -4.941 6.408 6.474 267 H ILE 68 H ILE 68 -3.325 3.138 7.829 268 HA ILE 68 HA ILE 68 -2.592 2.583 5.066 269 HB ILE 68 HB ILE 68 -3.966 0.478 6.622 270 HG12 ILE 68 HG12 ILE 68 -2.423 1.649 8.276 271 HG13 ILE 68 HG13 ILE 68 -2.130 -0.067 8.027 272 HG21 ILE 68 HG21 ILE 68 -3.120 0.064 4.393 273 HG22 ILE 68 HG22 ILE 68 -1.503 0.575 4.885 274 HG23 ILE 68 HG23 ILE 68 -2.210 -0.889 5.567 275 HD11 ILE 68 HD11 ILE 68 -0.548 2.218 6.878 276 HD12 ILE 68 HD12 ILE 68 -0.046 1.097 8.146 277 HD13 ILE 68 HD13 ILE 68 -0.281 0.516 6.497 278 H CYS 69 H CYS 69 -4.087 1.645 3.560 279 HA CYS 69 HA CYS 69 -6.906 2.089 3.987 280 HG CYS 69 HG CYS 69 -6.007 4.415 5.152 281 HB2 CYS 69 HB2 CYS 69 -5.217 3.879 2.236 282 HB3 CYS 69 HB3 CYS 69 -6.960 3.711 2.015 283 H LEU 70 H LEU 70 -8.095 1.684 1.826 284 HA LEU 70 HA LEU 70 -6.569 -0.080 0.064 285 HG LEU 70 HG LEU 70 -6.898 -2.258 -0.213 286 HB2 LEU 70 HB2 LEU 70 -7.736 -1.271 2.062 287 HB3 LEU 70 HB3 LEU 70 -9.206 -0.988 1.143 288 HD11 LEU 70 HD11 LEU 70 -7.651 -4.457 0.580 289 HD12 LEU 70 HD12 LEU 70 -7.064 -3.445 1.900 290 HD13 LEU 70 HD13 LEU 70 -8.796 -3.663 1.659 291 HD21 LEU 70 HD21 LEU 70 -8.671 -3.427 -1.422 292 HD22 LEU 70 HD22 LEU 70 -9.883 -2.658 -0.399 293 HD23 LEU 70 HD23 LEU 70 -8.903 -1.681 -1.491 294 H GLN 71 H GLN 71 -6.957 0.606 -1.909 295 HA GLN 71 HA GLN 71 -7.903 1.715 -3.648 296 HB2 GLN 71 HB2 GLN 71 -10.224 0.064 -2.640 297 HB3 GLN 71 HB3 GLN 71 -10.231 0.913 -4.184 298 HG2 GLN 71 HG2 GLN 71 -8.525 -0.422 -5.064 299 HG3 GLN 71 HG3 GLN 71 -8.041 -1.000 -3.475 300 HE21 GLN 71 HE21 GLN 71 -8.140 -3.115 -4.063 301 HE22 GLN 71 HE22 GLN 71 -9.616 -3.957 -4.342 302 H ASP 72 H ASP 72 -7.778 3.025 -1.171 303 HA ASP 72 HA ASP 72 -8.008 5.239 -0.722 304 HB2 ASP 72 HB2 ASP 72 -8.885 5.600 -3.050 305 HB3 ASP 72 HB3 ASP 72 -10.510 5.361 -2.404 306 H ILE 73 H ILE 73 -10.369 2.811 -0.239 307 HA ILE 73 HA ILE 73 -11.869 4.058 1.830 308 HB ILE 73 HB ILE 73 -10.918 1.197 1.945 309 HG12 ILE 73 HG12 ILE 73 -13.400 2.053 0.463 310 HG13 ILE 73 HG13 ILE 73 -11.863 1.732 -0.343 311 HG21 ILE 73 HG21 ILE 73 -13.454 2.532 2.872 312 HG22 ILE 73 HG22 ILE 73 -13.078 0.818 3.041 313 HG23 ILE 73 HG23 ILE 73 -12.105 2.021 3.886 314 HD11 ILE 73 HD11 ILE 73 -13.468 -0.204 1.302 315 HD12 ILE 73 HD12 ILE 73 -13.243 -0.231 -0.450 316 HD13 ILE 73 HD13 ILE 73 -11.872 -0.536 0.626 317 H GLN 74 H GLN 74 -11.357 4.122 4.112 318 HA GLN 74 HA GLN 74 -8.486 3.852 4.601 319 HB2 GLN 74 HB2 GLN 74 -9.884 4.845 6.905 320 HB3 GLN 74 HB3 GLN 74 -8.611 5.609 5.957 321 HG2 GLN 74 HG2 GLN 74 -11.459 5.680 5.046 322 HG3 GLN 74 HG3 GLN 74 -10.868 6.800 6.261 323 HE21 GLN 74 HE21 GLN 74 -8.869 5.666 3.583 324 HE22 GLN 74 HE22 GLN 74 -8.832 7.182 2.762 325 H LEU 75 H LEU 75 -7.666 2.515 6.141 326 HA LEU 75 HA LEU 75 -9.509 0.371 7.011 327 HG LEU 75 HG LEU 75 -8.400 0.164 4.356 328 HB2 LEU 75 HB2 LEU 75 -6.596 0.245 6.207 329 HB3 LEU 75 HB3 LEU 75 -7.465 -1.094 6.930 330 HD11 LEU 75 HD11 LEU 75 -7.207 -1.525 3.128 331 HD12 LEU 75 HD12 LEU 75 -6.057 -0.573 4.071 332 HD13 LEU 75 HD13 LEU 75 -6.527 -2.185 4.620 333 HD21 LEU 75 HD21 LEU 75 -9.977 -1.276 5.517 334 HD22 LEU 75 HD22 LEU 75 -9.409 -2.037 4.028 335 HD23 LEU 75 HD23 LEU 75 -8.767 -2.561 5.587 336 H ASP 76 H ASP 76 -8.385 -0.901 8.940 337 HA ASP 76 HA ASP 76 -7.217 1.073 10.757 338 HB2 ASP 76 HB2 ASP 76 -9.568 0.652 11.404 339 HB3 ASP 76 HB3 ASP 76 -9.221 -1.070 11.516 340 HA PRO 77 HA PRO 77 -3.696 -1.682 10.142 341 HB2 PRO 77 HB2 PRO 77 -3.325 -0.069 12.649 342 HB3 PRO 77 HB3 PRO 77 -2.147 -0.467 11.393 343 HG2 PRO 77 HG2 PRO 77 -3.442 1.908 11.472 344 HG3 PRO 77 HG3 PRO 77 -2.936 1.143 9.956 345 HD2 PRO 77 HD2 PRO 77 -5.633 1.575 10.972 346 HD3 PRO 77 HD3 PRO 77 -5.129 1.017 9.368 347 H ASP 78 H ASP 78 -5.671 -1.410 13.057 348 HA ASP 78 HA ASP 78 -4.324 -3.460 14.510 349 HB2 ASP 78 HB2 ASP 78 -6.939 -2.018 14.818 350 HB3 ASP 78 HB3 ASP 78 -6.501 -3.354 15.889 351 H ARG 79 H ARG 79 -6.944 -3.391 12.201 352 HA ARG 79 HA ARG 79 -7.684 -6.152 12.848 353 HE ARG 79 HE ARG 79 -11.212 -2.728 14.739 354 HB2 ARG 79 HB2 ARG 79 -9.086 -4.053 11.165 355 HB3 ARG 79 HB3 ARG 79 -9.704 -5.664 11.525 356 HG2 ARG 79 HG2 ARG 79 -9.865 -5.134 13.870 357 HG3 ARG 79 HG3 ARG 79 -9.119 -3.558 13.595 358 HD2 ARG 79 HD2 ARG 79 -11.003 -2.898 12.199 359 HD3 ARG 79 HD3 ARG 79 -11.744 -4.479 12.425 360 HH11 ARG 79 HH12 ARG 79 -13.461 -4.515 12.716 361 HH12 ARG 79 HH11 ARG 79 -14.802 -4.292 13.801 362 HH21 ARG 79 HH22 ARG 79 -12.997 -2.421 16.154 363 HH22 ARG 79 HH21 ARG 79 -14.542 -3.095 15.728 364 H SER 80 H SER 80 -8.193 -7.547 10.872 365 HA SER 80 HA SER 80 -5.979 -7.230 8.995 366 HG SER 80 HG SER 80 -8.493 -9.325 10.411 367 HB2 SER 80 HB2 SER 80 -6.336 -9.614 8.571 368 HB3 SER 80 HB3 SER 80 -6.157 -9.292 10.294 369 H LEU 81 H LEU 81 -6.488 -8.361 6.752 370 HA LEU 81 HA LEU 81 -8.475 -7.039 5.303 371 HG LEU 81 HG LEU 81 -7.314 -7.059 3.122 372 HB2 LEU 81 HB2 LEU 81 -6.880 -9.505 4.831 373 HB3 LEU 81 HB3 LEU 81 -8.288 -9.255 3.825 374 HD11 LEU 81 HD11 LEU 81 -4.938 -6.670 3.502 375 HD12 LEU 81 HD12 LEU 81 -5.848 -6.662 5.012 376 HD13 LEU 81 HD13 LEU 81 -4.878 -8.071 4.575 377 HD21 LEU 81 HD21 LEU 81 -7.097 -9.039 1.719 378 HD22 LEU 81 HD22 LEU 81 -5.643 -8.049 1.621 379 HD23 LEU 81 HD23 LEU 81 -5.645 -9.516 2.596 380 H PHE 82 H PHE 82 -8.552 -10.184 6.899 381 HA PHE 82 HA PHE 82 -11.206 -10.861 6.238 382 HD1 PHE 82 HD1 PHE 82 -12.289 -13.216 6.773 383 HD2 PHE 82 HD2 PHE 82 -8.053 -13.206 6.972 384 HE1 PHE 82 HE1 PHE 82 -12.233 -15.218 5.340 385 HE2 PHE 82 HE2 PHE 82 -7.978 -15.206 5.530 386 HZ PHE 82 HZ PHE 82 -10.069 -16.214 4.716 387 HB2 PHE 82 HB2 PHE 82 -9.255 -11.761 8.289 388 HB3 PHE 82 HB3 PHE 82 -10.952 -12.082 8.626 389 H ASP 83 H ASP 83 -9.973 -8.520 8.368 390 HA ASP 83 HA ASP 83 -12.603 -8.165 9.610 391 HB2 ASP 83 HB2 ASP 83 -9.971 -6.782 10.107 392 HB3 ASP 83 HB3 ASP 83 -11.462 -6.430 10.975 393 H GLN 84 H GLN 84 -10.729 -6.978 7.026 394 HA GLN 84 HA GLN 84 -12.517 -4.692 6.645 395 HB2 GLN 84 HB2 GLN 84 -9.509 -4.528 6.825 396 HB3 GLN 84 HB3 GLN 84 -10.485 -3.284 6.069 397 HG2 GLN 84 HG2 GLN 84 -11.084 -2.399 8.014 398 HG3 GLN 84 HG3 GLN 84 -11.400 -3.976 8.747 399 HE21 GLN 84 HE21 GLN 84 -8.544 -4.761 8.078 400 HE22 GLN 84 HE22 GLN 84 -7.609 -3.958 9.282 401 H GLY 85 H GLY 85 -13.352 -5.859 4.835 402 HA2 GLY 85 HA2 GLY 85 -13.246 -5.216 2.478 403 HA3 GLY 85 HA3 GLY 85 -11.528 -5.559 2.539 404 H VAL 86 H VAL 86 -10.842 -7.792 2.636 405 HA VAL 86 HA VAL 86 -12.740 -9.366 1.047 406 HB VAL 86 HB VAL 86 -10.866 -10.508 0.071 407 HG11 VAL 86 HG11 VAL 86 -10.457 -7.524 0.031 408 HG12 VAL 86 HG12 VAL 86 -9.841 -8.661 -1.167 409 HG13 VAL 86 HG13 VAL 86 -11.578 -8.435 -0.979 410 HG21 VAL 86 HG21 VAL 86 -8.545 -9.902 0.541 411 HG22 VAL 86 HG22 VAL 86 -9.089 -8.815 1.819 412 HG23 VAL 86 HG23 VAL 86 -9.349 -10.553 1.967 413 H LYS 87 H LYS 87 -12.988 -11.548 1.335 414 HA LYS 87 HA LYS 87 -11.654 -12.720 3.686 415 HB2 LYS 87 HB2 LYS 87 -14.407 -13.505 2.716 416 HB3 LYS 87 HB3 LYS 87 -13.616 -13.983 4.213 417 HG2 LYS 87 HG2 LYS 87 -14.478 -11.182 3.539 418 HG3 LYS 87 HG3 LYS 87 -15.389 -12.311 4.539 419 HD2 LYS 87 HD2 LYS 87 -13.855 -12.212 6.276 420 HD3 LYS 87 HD3 LYS 87 -12.538 -11.606 5.252 421 HE2 LYS 87 HE2 LYS 87 -13.236 -9.739 6.480 422 HE3 LYS 87 HE3 LYS 87 -14.037 -9.545 4.923 423 HZ1 LYS 87 HZ1 LYS 87 -15.259 -10.577 7.425 424 HZ2 LYS 87 HZ2 LYS 87 -16.048 -10.519 5.926 425 HZ3 LYS 87 HZ3 LYS 87 -15.569 -9.079 6.689 426 H THR 88 H THR 88 -10.093 -13.195 1.914 427 HA THR 88 HA THR 88 -10.929 -15.503 0.332 428 HB THR 88 HB THR 88 -9.880 -13.896 -1.065 429 HG1 THR 88 HG1 THR 88 -9.016 -15.638 -1.879 430 HG21 THR 88 HG21 THR 88 -8.741 -12.553 0.617 431 HG22 THR 88 HG22 THR 88 -7.645 -12.984 -0.695 432 HG23 THR 88 HG23 THR 88 -7.549 -13.835 0.847 433 H ASP 89 H ASP 89 -7.567 -15.558 0.842 434 HA ASP 89 HA ASP 89 -7.484 -16.520 3.498 435 HB2 ASP 89 HB2 ASP 89 -8.670 -18.438 2.547 436 HB3 ASP 89 HB3 ASP 89 -7.381 -18.655 1.370 437 H GLY 90 H GLY 90 -5.530 -16.130 4.177 438 HA2 GLY 90 HA2 GLY 90 -3.291 -16.970 4.293 439 HA3 GLY 90 HA3 GLY 90 -3.294 -17.108 2.545 440 H THR 91 H THR 91 -1.698 -15.885 1.895 441 HA THR 91 HA THR 91 -1.505 -13.123 2.889 442 HB THR 91 HB THR 91 0.564 -14.913 1.604 443 HG1 THR 91 HG1 THR 91 -0.133 -14.905 4.015 444 HG21 THR 91 HG21 THR 91 0.851 -12.038 2.497 445 HG22 THR 91 HG22 THR 91 0.881 -12.607 0.828 446 HG23 THR 91 HG23 THR 91 2.163 -13.077 1.944 447 H VAL 92 H VAL 92 -2.232 -11.606 1.522 448 HA VAL 92 HA VAL 92 -2.353 -12.239 -1.341 449 HB VAL 92 HB VAL 92 -3.832 -10.384 -1.636 450 HG11 VAL 92 HG11 VAL 92 -4.523 -12.149 0.680 451 HG12 VAL 92 HG12 VAL 92 -5.684 -11.057 -0.074 452 HG13 VAL 92 HG13 VAL 92 -4.950 -12.354 -1.015 453 HG21 VAL 92 HG21 VAL 92 -4.566 -8.972 0.218 454 HG22 VAL 92 HG22 VAL 92 -3.416 -9.780 1.288 455 HG23 VAL 92 HG23 VAL 92 -2.834 -8.817 -0.074 456 H GLN 93 H GLN 93 -1.748 -10.513 -2.835 457 HA GLN 93 HA GLN 93 0.669 -9.161 -1.882 458 HB2 GLN 93 HB2 GLN 93 0.611 -10.802 -3.896 459 HB3 GLN 93 HB3 GLN 93 -0.154 -9.481 -4.761 460 HG2 GLN 93 HG2 GLN 93 2.480 -9.144 -3.381 461 HG3 GLN 93 HG3 GLN 93 2.359 -9.783 -5.017 462 HE21 GLN 93 HE21 GLN 93 2.134 -7.004 -3.004 463 HE22 GLN 93 HE22 GLN 93 1.941 -5.837 -4.270 464 H LEU 94 H LEU 94 0.555 -7.076 -1.541 465 HA LEU 94 HA LEU 94 -1.921 -5.676 -2.294 466 HG LEU 94 HG LEU 94 -1.888 -5.119 1.336 467 HB2 LEU 94 HB2 LEU 94 0.140 -4.942 -0.216 468 HB3 LEU 94 HB3 LEU 94 -1.302 -4.016 -0.571 469 HD11 LEU 94 HD11 LEU 94 -2.818 -6.883 -0.892 470 HD12 LEU 94 HD12 LEU 94 -3.442 -6.947 0.758 471 HD13 LEU 94 HD13 LEU 94 -3.630 -5.482 -0.197 472 HD21 LEU 94 HD21 LEU 94 -1.371 -7.450 1.869 473 HD22 LEU 94 HD22 LEU 94 -0.547 -7.615 0.318 474 HD23 LEU 94 HD23 LEU 94 0.091 -6.518 1.542 475 H SER 95 H SER 95 -1.723 -4.504 -4.130 476 HA SER 95 HA SER 95 0.719 -3.012 -4.607 477 HG SER 95 HG SER 95 0.409 -4.239 -6.688 478 HB2 SER 95 HB2 SER 95 -1.973 -2.827 -5.994 479 HB3 SER 95 HB3 SER 95 -0.477 -2.075 -6.544 480 H VAL 96 H VAL 96 0.599 -2.132 -2.472 481 HA VAL 96 HA VAL 96 -1.438 -0.144 -1.922 482 HB VAL 96 HB VAL 96 -0.938 -1.494 -0.074 483 HG11 VAL 96 HG11 VAL 96 1.985 -0.873 -0.503 484 HG12 VAL 96 HG12 VAL 96 1.322 -1.796 0.846 485 HG13 VAL 96 HG13 VAL 96 1.178 -2.414 -0.800 486 HG21 VAL 96 HG21 VAL 96 -0.026 0.069 1.601 487 HG22 VAL 96 HG22 VAL 96 0.473 1.145 0.299 488 HG23 VAL 96 HG23 VAL 96 -1.240 0.802 0.557 489 H GLN 97 H GLN 97 -1.269 1.949 -2.066 490 HA GLN 97 HA GLN 97 1.237 3.119 -3.082 491 HB2 GLN 97 HB2 GLN 97 -1.661 3.865 -3.459 492 HB3 GLN 97 HB3 GLN 97 -0.344 4.897 -3.963 493 HG2 GLN 97 HG2 GLN 97 0.451 3.009 -5.409 494 HG3 GLN 97 HG3 GLN 97 -1.046 2.173 -4.992 495 HE21 GLN 97 HE21 GLN 97 -2.498 4.758 -4.907 496 HE22 GLN 97 HE22 GLN 97 -2.780 5.170 -6.561 497 H VAL 98 H VAL 98 1.988 5.056 -2.199 498 HA VAL 98 HA VAL 98 0.683 5.954 0.238 499 HB VAL 98 HB VAL 98 2.652 6.676 0.949 500 HG11 VAL 98 HG11 VAL 98 3.358 4.571 0.069 501 HG12 VAL 98 HG12 VAL 98 3.711 5.306 -1.494 502 HG13 VAL 98 HG13 VAL 98 4.666 5.745 -0.078 503 HG21 VAL 98 HG21 VAL 98 4.200 8.126 -0.237 504 HG22 VAL 98 HG22 VAL 98 3.292 7.874 -1.728 505 HG23 VAL 98 HG23 VAL 98 2.540 8.713 -0.370 506 H ILE 99 H ILE 99 -0.734 7.491 0.222 507 HA ILE 99 HA ILE 99 -0.948 9.233 -2.150 508 HB ILE 99 HB ILE 99 -3.058 8.114 -0.312 509 HG12 ILE 99 HG12 ILE 99 -2.570 7.877 -3.287 510 HG13 ILE 99 HG13 ILE 99 -2.447 6.596 -2.083 511 HG21 ILE 99 HG21 ILE 99 -3.581 10.453 -0.712 512 HG22 ILE 99 HG22 ILE 99 -3.418 10.214 -2.452 513 HG23 ILE 99 HG23 ILE 99 -4.717 9.412 -1.568 514 HD11 ILE 99 HD11 ILE 99 -4.960 8.025 -2.913 515 HD12 ILE 99 HD12 ILE 99 -4.493 6.377 -3.340 516 HD13 ILE 99 HD13 ILE 99 -4.858 6.787 -1.660 517 H SER 100 H SER 100 -0.354 11.325 -1.659 518 HA SER 100 HA SER 100 -2.148 12.442 0.362 519 HG SER 100 HG SER 100 0.714 13.914 -1.131 520 HB2 SER 100 HB2 SER 100 -0.454 14.153 0.921 521 HB3 SER 100 HB3 SER 100 0.127 12.533 1.274 522 H TYR 101 H TYR 101 -3.663 12.868 -1.205 523 HA TYR 101 HA TYR 101 -2.948 14.369 -3.579 524 HD1 TYR 101 HD1 TYR 101 -3.182 13.532 -5.482 525 HD2 TYR 101 HD2 TYR 101 -5.886 10.980 -3.400 526 HE1 TYR 101 HE1 TYR 101 -2.643 11.705 -7.033 527 HE2 TYR 101 HE2 TYR 101 -5.342 9.148 -4.942 528 HH TYR 101 HH TYR 101 -2.703 9.281 -7.117 529 HB2 TYR 101 HB2 TYR 101 -5.506 13.128 -2.589 530 HB3 TYR 101 HB3 TYR 101 -5.504 14.247 -3.947 531 H GLN 102 H GLN 102 -3.195 16.486 -3.866 532 HA GLN 102 HA GLN 102 -3.397 18.682 -3.313 533 HB2 GLN 102 HB2 GLN 102 -5.980 17.794 -2.009 534 HB3 GLN 102 HB3 GLN 102 -5.572 19.433 -2.499 535 HG2 GLN 102 HG2 GLN 102 -6.685 18.950 -4.358 536 HG3 GLN 102 HG3 GLN 102 -5.235 18.062 -4.818 537 HE21 GLN 102 HE21 GLN 102 -7.407 17.046 -2.258 538 HE22 GLN 102 HE22 GLN 102 -8.004 15.641 -3.075 539 H GLY 103 H GLY 103 -2.002 16.955 -1.428 540 HA2 GLY 103 HA2 GLY 103 -1.033 17.131 0.653 541 HA3 GLY 103 HA3 GLY 103 -1.754 18.732 0.763 542 H MET 104 H MET 104 -3.214 15.508 0.494 543 HA MET 104 HA MET 104 -4.917 16.152 2.779 544 HB2 MET 104 HB2 MET 104 -6.399 14.456 2.066 545 HB3 MET 104 HB3 MET 104 -5.913 15.291 0.600 546 HG2 MET 104 HG2 MET 104 -4.429 13.518 0.002 547 HG3 MET 104 HG3 MET 104 -4.666 12.729 1.560 548 HE1 MET 104 HE1 MET 104 -8.466 11.698 1.286 549 HE2 MET 104 HE2 MET 104 -7.060 11.801 2.348 550 HE3 MET 104 HE3 MET 104 -7.891 13.270 1.840 551 H GLU 105 H GLU 105 -5.499 14.043 4.046 552 HA GLU 105 HA GLU 105 -3.293 13.398 5.606 553 HB2 GLU 105 HB2 GLU 105 -5.747 11.658 5.359 554 HB3 GLU 105 HB3 GLU 105 -4.711 11.868 6.760 555 HG2 GLU 105 HG2 GLU 105 -6.559 13.095 7.348 556 HG3 GLU 105 HG3 GLU 105 -5.508 14.335 6.666 557 HA PRO 106 HA PRO 106 -1.188 10.635 2.730 558 HB2 PRO 106 HB2 PRO 106 0.406 9.768 4.923 559 HB3 PRO 106 HB3 PRO 106 0.845 10.888 3.634 560 HG2 PRO 106 HG2 PRO 106 -0.080 11.448 6.383 561 HG3 PRO 106 HG3 PRO 106 0.935 12.430 5.317 562 HD2 PRO 106 HD2 PRO 106 -1.625 13.077 5.844 563 HD3 PRO 106 HD3 PRO 106 -0.882 13.381 4.265 564 H LYS 107 H LYS 107 -2.388 9.013 2.217 565 HA LYS 107 HA LYS 107 -2.941 6.878 4.183 566 HB2 LYS 107 HB2 LYS 107 -4.158 7.500 1.497 567 HB3 LYS 107 HB3 LYS 107 -4.507 6.039 2.400 568 HG2 LYS 107 HG2 LYS 107 -5.639 7.215 4.078 569 HG3 LYS 107 HG3 LYS 107 -5.008 8.767 3.541 570 HD2 LYS 107 HD2 LYS 107 -6.840 6.992 1.936 571 HD3 LYS 107 HD3 LYS 107 -7.369 8.398 2.873 572 HE2 LYS 107 HE2 LYS 107 -5.818 9.792 1.484 573 HE3 LYS 107 HE3 LYS 107 -5.516 8.363 0.493 574 HZ1 LYS 107 HZ1 LYS 107 -7.746 8.326 -0.230 575 HZ2 LYS 107 HZ2 LYS 107 -7.253 9.942 -0.361 576 HZ3 LYS 107 HZ3 LYS 107 -8.234 9.455 0.935 577 H LEU 108 H LEU 108 -2.130 4.803 3.837 578 HA LEU 108 HA LEU 108 -0.769 4.303 1.268 579 HG LEU 108 HG LEU 108 1.833 2.866 2.972 580 HB2 LEU 108 HB2 LEU 108 -0.771 2.794 3.890 581 HB3 LEU 108 HB3 LEU 108 -0.162 2.087 2.412 582 HD11 LEU 108 HD11 LEU 108 1.305 4.589 1.359 583 HD12 LEU 108 HD12 LEU 108 0.622 5.596 2.637 584 HD13 LEU 108 HD13 LEU 108 2.346 5.219 2.638 585 HD21 LEU 108 HD21 LEU 108 2.214 4.352 4.888 586 HD22 LEU 108 HD22 LEU 108 0.471 4.573 5.037 587 HD23 LEU 108 HD23 LEU 108 1.184 2.976 5.279 588 H ASN 109 H ASN 109 -2.386 3.744 -0.217 589 HA ASN 109 HA ASN 109 -4.500 1.977 0.822 590 HB2 ASN 109 HB2 ASN 109 -5.740 2.491 -1.268 591 HB3 ASN 109 HB3 ASN 109 -5.532 3.856 -0.206 592 HD21 ASN 109 HD21 ASN 109 -6.180 3.876 -2.969 593 HD22 ASN 109 HD22 ASN 109 -4.908 4.691 -3.800 594 H ILE 110 H ILE 110 -4.514 -0.028 0.338 595 HA ILE 110 HA ILE 110 -2.912 -1.190 -1.716 596 HB ILE 110 HB ILE 110 -5.319 -2.321 -0.293 597 HG12 ILE 110 HG12 ILE 110 -2.422 -2.795 0.383 598 HG13 ILE 110 HG13 ILE 110 -3.338 -1.482 1.112 599 HG21 ILE 110 HG21 ILE 110 -3.062 -3.804 -1.601 600 HG22 ILE 110 HG22 ILE 110 -4.594 -4.445 -1.011 601 HG23 ILE 110 HG23 ILE 110 -4.564 -3.408 -2.435 602 HD11 ILE 110 HD11 ILE 110 -4.896 -3.072 2.060 603 HD12 ILE 110 HD12 ILE 110 -4.021 -4.404 1.300 604 HD13 ILE 110 HD13 ILE 110 -3.238 -3.432 2.549 605 H LEU 111 H LEU 111 -3.360 -1.002 -3.835 606 HA LEU 111 HA LEU 111 -6.121 -0.409 -4.597 607 HG LEU 111 HG LEU 111 -4.352 2.030 -6.686 608 HB2 LEU 111 HB2 LEU 111 -3.526 -0.258 -6.105 609 HB3 LEU 111 HB3 LEU 111 -5.070 -0.207 -6.932 610 HD11 LEU 111 HD11 LEU 111 -6.083 3.023 -5.290 611 HD12 LEU 111 HD12 LEU 111 -6.720 1.679 -6.237 612 HD13 LEU 111 HD13 LEU 111 -6.368 1.463 -4.523 613 HD21 LEU 111 HD21 LEU 111 -3.735 3.009 -4.542 614 HD22 LEU 111 HD22 LEU 111 -3.926 1.436 -3.769 615 HD23 LEU 111 HD23 LEU 111 -2.668 1.675 -4.981 616 H GLU 112 H GLU 112 -4.253 -3.107 -4.079 617 HA GLU 112 HA GLU 112 -5.868 -4.687 -5.873 618 HB2 GLU 112 HB2 GLU 112 -4.062 -3.993 -7.372 619 HB3 GLU 112 HB3 GLU 112 -2.865 -4.572 -6.216 620 HG2 GLU 112 HG2 GLU 112 -3.100 -6.192 -7.951 621 HG3 GLU 112 HG3 GLU 112 -3.796 -6.844 -6.465 622 H ILE 113 H ILE 113 -6.405 -6.412 -4.818 623 HA ILE 113 HA ILE 113 -4.489 -7.546 -2.899 624 HB ILE 113 HB ILE 113 -7.497 -7.479 -2.789 625 HG12 ILE 113 HG12 ILE 113 -5.278 -6.541 -0.980 626 HG13 ILE 113 HG13 ILE 113 -6.503 -5.560 -1.781 627 HG21 ILE 113 HG21 ILE 113 -5.622 -9.175 -1.152 628 HG22 ILE 113 HG22 ILE 113 -7.343 -8.960 -0.836 629 HG23 ILE 113 HG23 ILE 113 -6.812 -9.753 -2.319 630 HD11 ILE 113 HD11 ILE 113 -8.220 -6.557 -0.379 631 HD12 ILE 113 HD12 ILE 113 -6.994 -7.566 0.399 632 HD13 ILE 113 HD13 ILE 113 -6.949 -5.812 0.594 633 H VAL 114 H VAL 114 -3.607 -9.323 -3.749 634 HA VAL 114 HA VAL 114 -5.422 -11.146 -5.112 635 HB VAL 114 HB VAL 114 -3.510 -11.803 -6.625 636 HG11 VAL 114 HG11 VAL 114 -3.781 -9.902 -8.155 637 HG12 VAL 114 HG12 VAL 114 -5.318 -10.399 -7.447 638 HG13 VAL 114 HG13 VAL 114 -4.493 -8.960 -6.846 639 HG21 VAL 114 HG21 VAL 114 -2.294 -9.246 -5.583 640 HG22 VAL 114 HG22 VAL 114 -1.672 -10.876 -5.321 641 HG23 VAL 114 HG23 VAL 114 -1.692 -10.189 -6.948 642 H LYS 115 H LYS 115 -5.610 -12.801 -3.771 643 HA LYS 115 HA LYS 115 -3.798 -13.548 -1.827 644 HB2 LYS 115 HB2 LYS 115 -5.032 -15.545 -1.511 645 HB3 LYS 115 HB3 LYS 115 -6.188 -14.316 -1.992 646 HG2 LYS 115 HG2 LYS 115 -6.794 -15.428 -3.826 647 HG3 LYS 115 HG3 LYS 115 -5.130 -15.871 -4.224 648 HD2 LYS 115 HD2 LYS 115 -6.814 -17.191 -2.092 649 HD3 LYS 115 HD3 LYS 115 -6.542 -17.835 -3.714 650 HE2 LYS 115 HE2 LYS 115 -4.136 -17.921 -3.274 651 HE3 LYS 115 HE3 LYS 115 -4.406 -17.276 -1.657 652 HZ1 LYS 115 HZ1 LYS 115 -4.120 -19.729 -1.781 653 HZ2 LYS 115 HZ2 LYS 115 -5.597 -19.816 -2.615 654 HZ3 LYS 115 HZ3 LYS 115 -5.553 -19.234 -1.025 655 H THR 116 H THR 116 -1.952 -14.427 -1.860 656 HA THR 116 HA THR 116 -0.023 -15.411 -2.492 657 HB THR 116 HB THR 116 -1.743 -16.745 -4.587 658 HG1 THR 116 HG1 THR 116 -1.301 -18.555 -3.003 659 HG21 THR 116 HG21 THR 116 1.070 -17.366 -3.698 660 HG22 THR 116 HG22 THR 116 0.586 -16.724 -5.268 661 HG23 THR 116 HG23 THR 116 0.099 -18.351 -4.794 662 H ALA 117 H ALA 117 -1.691 -14.989 -5.576 663 HA ALA 117 HA ALA 117 -0.583 -12.658 -6.522 664 HB1 ALA 117 HB1 ALA 117 1.627 -13.755 -6.309 665 HB2 ALA 117 HB2 ALA 117 1.077 -15.038 -7.388 666 HB3 ALA 117 HB3 ALA 117 1.229 -13.386 -7.987 667 H GLU 118 H GLU 118 -1.106 -16.015 -7.383 668 HA GLU 118 HA GLU 118 -2.963 -15.172 -9.500 669 HB2 GLU 118 HB2 GLU 118 -2.553 -17.427 -10.484 670 HB3 GLU 118 HB3 GLU 118 -1.113 -16.419 -10.432 671 HG2 GLU 118 HG2 GLU 118 -0.355 -17.598 -8.432 672 HG3 GLU 118 HG3 GLU 118 -1.795 -18.615 -8.490 673 H THR 119 H THR 119 -4.564 -17.126 -9.867 674 HA THR 119 HA THR 119 -6.346 -18.285 -9.214 675 HB THR 119 HB THR 119 -4.470 -19.637 -8.026 676 HG1 THR 119 HG1 THR 119 -6.859 -20.120 -8.551 677 HG21 THR 119 HG21 THR 119 -4.325 -18.260 -5.997 678 HG22 THR 119 HG22 THR 119 -4.821 -19.909 -5.619 679 HG23 THR 119 HG23 THR 119 -6.016 -18.613 -5.639 680 H VAL 120 H VAL 120 -5.289 -15.797 -7.036 681 HA VAL 120 HA VAL 120 -7.543 -15.301 -5.557 682 HB VAL 120 HB VAL 120 -5.650 -13.819 -5.442 683 HG11 VAL 120 HG11 VAL 120 -4.929 -13.910 -7.750 684 HG12 VAL 120 HG12 VAL 120 -6.352 -12.994 -8.253 685 HG13 VAL 120 HG13 VAL 120 -5.126 -12.232 -7.238 686 HG21 VAL 120 HG21 VAL 120 -8.072 -12.320 -6.455 687 HG22 VAL 120 HG22 VAL 120 -7.808 -12.864 -4.797 688 HG23 VAL 120 HG23 VAL 120 -6.759 -11.633 -5.498 689 H GLU 121 H GLU 121 -9.575 -14.594 -5.897 690 HA GLU 121 HA GLU 121 -10.388 -14.051 -8.674 691 HB2 GLU 121 HB2 GLU 121 -11.965 -15.467 -6.508 692 HB3 GLU 121 HB3 GLU 121 -12.578 -15.057 -8.102 693 HG2 GLU 121 HG2 GLU 121 -10.195 -16.840 -7.681 694 HG3 GLU 121 HG3 GLU 121 -11.848 -17.446 -7.764 695 H TRP 122 H TRP 122 -11.556 -12.193 -8.968 696 HA TRP 122 HA TRP 122 -12.067 -10.630 -6.520 697 HD1 TRP 122 HD1 TRP 122 -12.320 -6.927 -8.662 698 HE1 TRP 122 HE1 TRP 122 -11.947 -5.251 -6.731 699 HE3 TRP 122 HE3 TRP 122 -9.802 -9.974 -5.459 700 HZ2 TRP 122 HZ2 TRP 122 -10.729 -5.259 -4.174 701 HZ3 TRP 122 HZ3 TRP 122 -9.066 -9.096 -3.300 702 HH2 TRP 122 HH2 TRP 122 -9.519 -6.774 -2.665 703 HB2 TRP 122 HB2 TRP 122 -10.221 -9.913 -8.246 704 HB3 TRP 122 HB3 TRP 122 -11.595 -9.334 -9.183 Start of MODEL 3 1 HA MET 34 HA MET 34 1.611 11.225 -8.025 2 H1 MET 34 H1 MET 34 1.738 13.462 -7.086 3 H2 MET 34 H2 MET 34 1.872 12.795 -5.534 4 H3 MET 34 H3 MET 34 0.463 12.553 -6.448 5 HB2 MET 34 HB2 MET 34 4.008 12.106 -6.444 6 HB3 MET 34 HB3 MET 34 4.048 10.605 -7.358 7 HG2 MET 34 HG2 MET 34 3.412 13.300 -8.530 8 HG3 MET 34 HG3 MET 34 4.999 12.536 -8.562 9 HE1 MET 34 HE1 MET 34 4.294 9.479 -9.016 10 HE2 MET 34 HE2 MET 34 4.393 9.389 -10.776 11 HE3 MET 34 HE3 MET 34 5.573 10.342 -9.874 12 H ALA 35 H ALA 35 0.407 9.550 -7.408 13 HA ALA 35 HA ALA 35 0.622 8.369 -4.796 14 HB1 ALA 35 HB1 ALA 35 -1.489 8.338 -6.014 15 HB2 ALA 35 HB2 ALA 35 -0.750 7.368 -7.288 16 HB3 ALA 35 HB3 ALA 35 -0.937 6.698 -5.667 17 H GLU 36 H GLU 36 2.383 7.296 -4.262 18 HA GLU 36 HA GLU 36 3.906 5.878 -6.318 19 HB2 GLU 36 HB2 GLU 36 4.569 6.719 -3.501 20 HB3 GLU 36 HB3 GLU 36 5.665 5.794 -4.526 21 HG2 GLU 36 HG2 GLU 36 5.482 7.694 -6.188 22 HG3 GLU 36 HG3 GLU 36 4.669 8.600 -4.914 23 H CYS 37 H CYS 37 3.835 3.724 -6.477 24 HA CYS 37 HA CYS 37 2.374 2.291 -4.373 25 HG CYS 37 HG CYS 37 2.605 0.767 -8.767 26 HB2 CYS 37 HB2 CYS 37 2.064 0.556 -6.199 27 HB3 CYS 37 HB3 CYS 37 1.257 2.101 -6.450 28 H VAL 38 H VAL 38 3.127 0.462 -3.436 29 HA VAL 38 HA VAL 38 5.781 -0.524 -4.254 30 HB VAL 38 HB VAL 38 6.038 0.798 -2.182 31 HG11 VAL 38 HG11 VAL 38 4.080 -1.142 -0.966 32 HG12 VAL 38 HG12 VAL 38 4.973 0.110 -0.104 33 HG13 VAL 38 HG13 VAL 38 3.773 0.558 -1.315 34 HG21 VAL 38 HG21 VAL 38 6.330 -2.174 -1.761 35 HG22 VAL 38 HG22 VAL 38 7.517 -1.089 -2.486 36 HG23 VAL 38 HG23 VAL 38 7.101 -0.927 -0.779 37 H SER 39 H SER 39 6.042 -2.792 -4.124 38 HA SER 39 HA SER 39 3.551 -4.265 -4.108 39 HG SER 39 HG SER 39 7.241 -5.466 -5.239 40 HB2 SER 39 HB2 SER 39 5.304 -6.157 -4.703 41 HB3 SER 39 HB3 SER 39 4.826 -4.959 -5.905 42 H GLN 40 H GLN 40 2.836 -4.693 -2.127 43 HA GLN 40 HA GLN 40 4.711 -5.823 -0.152 44 HB2 GLN 40 HB2 GLN 40 4.044 -3.765 0.732 45 HB3 GLN 40 HB3 GLN 40 2.422 -3.896 0.072 46 HG2 GLN 40 HG2 GLN 40 2.081 -4.189 2.327 47 HG3 GLN 40 HG3 GLN 40 2.143 -5.844 1.731 48 HE21 GLN 40 HE21 GLN 40 5.111 -5.637 1.437 49 HE22 GLN 40 HE22 GLN 40 5.706 -5.847 3.027 50 H ALA 41 H ALA 41 4.222 -7.904 0.503 51 HA ALA 41 HA ALA 41 1.406 -8.736 0.278 52 HB1 ALA 41 HB1 ALA 41 2.272 -11.019 0.105 53 HB2 ALA 41 HB2 ALA 41 2.919 -9.986 -1.170 54 HB3 ALA 41 HB3 ALA 41 3.920 -10.399 0.221 55 H ILE 42 H ILE 42 0.492 -9.860 2.076 56 HA ILE 42 HA ILE 42 2.004 -10.004 4.535 57 HB ILE 42 HB ILE 42 1.005 -8.394 5.832 58 HG12 ILE 42 HG12 ILE 42 -1.283 -8.250 3.860 59 HG13 ILE 42 HG13 ILE 42 -1.303 -9.053 5.420 60 HG21 ILE 42 HG21 ILE 42 0.942 -6.261 4.648 61 HG22 ILE 42 HG22 ILE 42 2.329 -7.242 4.172 62 HG23 ILE 42 HG23 ILE 42 0.925 -7.123 3.109 63 HD11 ILE 42 HD11 ILE 42 -0.895 -6.848 6.490 64 HD12 ILE 42 HD12 ILE 42 -1.092 -6.105 4.904 65 HD13 ILE 42 HD13 ILE 42 -2.438 -6.977 5.638 66 H ASP 43 H ASP 43 0.623 -10.703 6.367 67 HA ASP 43 HA ASP 43 -1.153 -12.825 5.692 68 HB2 ASP 43 HB2 ASP 43 -0.218 -11.472 8.194 69 HB3 ASP 43 HB3 ASP 43 -1.646 -12.497 8.280 70 H ILE 44 H ILE 44 -3.397 -12.732 5.349 71 HA ILE 44 HA ILE 44 -4.562 -10.065 5.682 72 HB ILE 44 HB ILE 44 -6.107 -10.546 4.088 73 HG12 ILE 44 HG12 ILE 44 -5.828 -13.524 4.519 74 HG13 ILE 44 HG13 ILE 44 -7.032 -12.523 5.318 75 HG21 ILE 44 HG21 ILE 44 -5.048 -11.823 2.282 76 HG22 ILE 44 HG22 ILE 44 -3.925 -10.712 3.064 77 HG23 ILE 44 HG23 ILE 44 -3.861 -12.437 3.429 78 HD11 ILE 44 HD11 ILE 44 -7.951 -13.660 3.375 79 HD12 ILE 44 HD12 ILE 44 -7.981 -11.906 3.185 80 HD13 ILE 44 HD13 ILE 44 -6.758 -12.864 2.346 81 H ASN 45 H ASN 45 -4.554 -13.128 7.160 82 HA ASN 45 HA ASN 45 -7.077 -12.641 8.561 83 HB2 ASN 45 HB2 ASN 45 -5.047 -14.811 9.184 84 HB3 ASN 45 HB3 ASN 45 -6.761 -14.780 9.569 85 HD21 ASN 45 HD21 ASN 45 -4.380 -15.396 7.158 86 HD22 ASN 45 HD22 ASN 45 -5.443 -16.161 6.027 87 H GLU 46 H GLU 46 -4.127 -11.412 8.589 88 HA GLU 46 HA GLU 46 -3.950 -11.002 11.487 89 HB2 GLU 46 HB2 GLU 46 -2.054 -12.171 9.734 90 HB3 GLU 46 HB3 GLU 46 -1.453 -10.562 10.096 91 HG2 GLU 46 HG2 GLU 46 -0.528 -12.187 11.623 92 HG3 GLU 46 HG3 GLU 46 -1.566 -11.054 12.484 93 HA PRO 47 HA PRO 47 -4.143 -6.632 11.158 94 HB2 PRO 47 HB2 PRO 47 -1.523 -5.726 11.464 95 HB3 PRO 47 HB3 PRO 47 -2.656 -6.070 12.773 96 HG2 PRO 47 HG2 PRO 47 -0.526 -7.816 11.595 97 HG3 PRO 47 HG3 PRO 47 -0.954 -7.576 13.300 98 HD2 PRO 47 HD2 PRO 47 -1.758 -9.746 12.075 99 HD3 PRO 47 HD3 PRO 47 -2.911 -8.868 13.097 100 H ILE 48 H ILE 48 -4.469 -5.420 9.357 101 HA ILE 48 HA ILE 48 -2.745 -5.741 7.061 102 HB ILE 48 HB ILE 48 -4.294 -4.583 5.814 103 HG12 ILE 48 HG12 ILE 48 -6.056 -3.123 7.301 104 HG13 ILE 48 HG13 ILE 48 -4.555 -2.866 8.185 105 HG21 ILE 48 HG21 ILE 48 -5.373 -6.515 6.797 106 HG22 ILE 48 HG22 ILE 48 -5.926 -5.532 8.152 107 HG23 ILE 48 HG23 ILE 48 -6.533 -5.212 6.527 108 HD11 ILE 48 HD11 ILE 48 -4.903 -1.138 6.541 109 HD12 ILE 48 HD12 ILE 48 -3.488 -2.110 6.132 110 HD13 ILE 48 HD13 ILE 48 -5.006 -2.351 5.263 111 H GLY 49 H GLY 49 -2.702 -3.857 9.835 112 HA2 GLY 49 HA2 GLY 49 -1.619 -1.456 8.657 113 HA3 GLY 49 HA3 GLY 49 -1.775 -1.794 10.371 114 H ASN 50 H ASN 50 -0.281 -4.425 9.005 115 HA ASN 50 HA ASN 50 2.198 -3.696 10.197 116 HB2 ASN 50 HB2 ASN 50 2.968 -5.924 9.399 117 HB3 ASN 50 HB3 ASN 50 1.473 -6.015 10.312 118 HD21 ASN 50 HD21 ASN 50 0.889 -7.988 9.406 119 HD22 ASN 50 HD22 ASN 50 0.366 -8.126 7.767 120 H LEU 51 H LEU 51 0.822 -2.962 7.262 121 HA LEU 51 HA LEU 51 2.933 -3.125 5.441 122 HG LEU 51 HG LEU 51 1.601 -2.992 3.327 123 HB2 LEU 51 HB2 LEU 51 0.486 -1.458 5.679 124 HB3 LEU 51 HB3 LEU 51 1.728 -0.901 4.574 125 HD11 LEU 51 HD11 LEU 51 1.013 -4.495 5.140 126 HD12 LEU 51 HD12 LEU 51 -0.570 -3.732 5.280 127 HD13 LEU 51 HD13 LEU 51 -0.149 -4.627 3.821 128 HD21 LEU 51 HD21 LEU 51 -0.517 -2.652 2.294 129 HD22 LEU 51 HD22 LEU 51 -1.169 -1.890 3.746 130 HD23 LEU 51 HD23 LEU 51 0.087 -1.079 2.814 131 H LYS 52 H LYS 52 2.371 -0.956 8.077 132 HA LYS 52 HA LYS 52 4.200 1.072 7.230 133 HB2 LYS 52 HB2 LYS 52 3.090 0.384 9.956 134 HB3 LYS 52 HB3 LYS 52 4.172 1.737 9.665 135 HG2 LYS 52 HG2 LYS 52 2.439 2.540 7.966 136 HG3 LYS 52 HG3 LYS 52 1.354 1.361 8.715 137 HD2 LYS 52 HD2 LYS 52 2.785 3.607 10.139 138 HD3 LYS 52 HD3 LYS 52 1.076 3.585 9.700 139 HE2 LYS 52 HE2 LYS 52 0.624 1.828 11.203 140 HE3 LYS 52 HE3 LYS 52 2.337 1.509 11.460 141 HZ1 LYS 52 HZ1 LYS 52 1.000 4.041 12.248 142 HZ2 LYS 52 HZ2 LYS 52 2.565 3.520 12.675 143 HZ3 LYS 52 HZ3 LYS 52 1.203 2.722 13.294 144 H LYS 53 H LYS 53 4.434 -2.008 8.733 145 HA LYS 53 HA LYS 53 7.101 -1.502 9.775 146 HB2 LYS 53 HB2 LYS 53 5.631 -4.121 9.889 147 HB3 LYS 53 HB3 LYS 53 6.901 -3.531 10.952 148 HG2 LYS 53 HG2 LYS 53 4.051 -2.571 10.810 149 HG3 LYS 53 HG3 LYS 53 4.820 -3.455 12.127 150 HD2 LYS 53 HD2 LYS 53 5.744 -0.730 11.233 151 HD3 LYS 53 HD3 LYS 53 4.502 -0.958 12.462 152 HE2 LYS 53 HE2 LYS 53 6.418 -0.723 13.727 153 HE3 LYS 53 HE3 LYS 53 6.248 -2.471 13.606 154 HZ1 LYS 53 HZ1 LYS 53 8.047 -0.800 11.917 155 HZ2 LYS 53 HZ2 LYS 53 7.905 -2.494 11.863 156 HZ3 LYS 53 HZ3 LYS 53 8.527 -1.745 13.243 157 H LEU 54 H LEU 54 5.536 -3.238 7.135 158 HA LEU 54 HA LEU 54 7.999 -4.658 6.525 159 HG LEU 54 HG LEU 54 6.979 -6.966 6.556 160 HB2 LEU 54 HB2 LEU 54 5.209 -4.787 5.428 161 HB3 LEU 54 HB3 LEU 54 6.551 -5.524 4.581 162 HD11 LEU 54 HD11 LEU 54 4.411 -5.790 7.599 163 HD12 LEU 54 HD12 LEU 54 5.282 -7.159 8.291 164 HD13 LEU 54 HD13 LEU 54 6.016 -5.555 8.294 165 HD21 LEU 54 HD21 LEU 54 5.009 -8.406 6.236 166 HD22 LEU 54 HD22 LEU 54 4.201 -7.080 5.395 167 HD23 LEU 54 HD23 LEU 54 5.660 -7.798 4.713 168 H LEU 55 H LEU 55 6.171 -1.904 5.390 169 HA LEU 55 HA LEU 55 7.940 -1.653 3.070 170 HG LEU 55 HG LEU 55 5.009 -0.649 1.383 171 HB2 LEU 55 HB2 LEU 55 5.497 -0.118 3.925 172 HB3 LEU 55 HB3 LEU 55 6.548 0.449 2.643 173 HD11 LEU 55 HD11 LEU 55 6.847 -2.890 2.208 174 HD12 LEU 55 HD12 LEU 55 5.808 -2.895 0.781 175 HD13 LEU 55 HD13 LEU 55 7.120 -1.723 0.914 176 HD21 LEU 55 HD21 LEU 55 3.760 -2.621 2.082 177 HD22 LEU 55 HD22 LEU 55 4.669 -2.664 3.592 178 HD23 LEU 55 HD23 LEU 55 3.599 -1.306 3.249 179 H GLU 56 H GLU 56 7.839 -0.838 6.272 180 HA GLU 56 HA GLU 56 9.062 1.541 6.651 181 HB2 GLU 56 HB2 GLU 56 8.475 -0.320 8.304 182 HB3 GLU 56 HB3 GLU 56 10.050 -0.997 7.938 183 HG2 GLU 56 HG2 GLU 56 11.139 0.973 8.804 184 HG3 GLU 56 HG3 GLU 56 9.575 1.745 9.077 185 HA PRO 57 HA PRO 57 13.395 -0.088 5.301 186 HB2 PRO 57 HB2 PRO 57 13.543 -2.460 4.012 187 HB3 PRO 57 HB3 PRO 57 13.658 -2.336 5.773 188 HG2 PRO 57 HG2 PRO 57 11.310 -3.056 4.062 189 HG3 PRO 57 HG3 PRO 57 11.880 -3.830 5.557 190 HD2 PRO 57 HD2 PRO 57 9.815 -2.083 5.509 191 HD3 PRO 57 HD3 PRO 57 10.919 -2.211 6.895 192 H ARG 58 H ARG 58 10.618 -0.961 3.350 193 HA ARG 58 HA ARG 58 11.906 -0.881 0.834 194 HE ARG 58 HE ARG 58 10.410 -1.439 -1.572 195 HB2 ARG 58 HB2 ARG 58 9.045 -0.846 1.722 196 HB3 ARG 58 HB3 ARG 58 9.463 -0.659 0.030 197 HG2 ARG 58 HG2 ARG 58 10.181 -3.005 1.782 198 HG3 ARG 58 HG3 ARG 58 8.896 -2.966 0.574 199 HD2 ARG 58 HD2 ARG 58 11.853 -2.678 0.066 200 HD3 ARG 58 HD3 ARG 58 10.853 -4.076 -0.323 201 HH11 ARG 58 HH12 ARG 58 10.796 -4.909 -1.791 202 HH12 ARG 58 HH11 ARG 58 10.588 -4.942 -3.517 203 HH21 ARG 58 HH22 ARG 58 10.092 -1.475 -3.823 204 HH22 ARG 58 HH21 ARG 58 10.184 -2.993 -4.679 205 H LEU 59 H LEU 59 9.909 1.489 2.562 206 HA LEU 59 HA LEU 59 10.299 3.361 0.358 207 HG LEU 59 HG LEU 59 7.613 1.979 1.294 208 HB2 LEU 59 HB2 LEU 59 8.607 3.567 2.850 209 HB3 LEU 59 HB3 LEU 59 8.686 4.785 1.594 210 HD11 LEU 59 HD11 LEU 59 6.137 3.487 2.526 211 HD12 LEU 59 HD12 LEU 59 6.241 4.664 1.217 212 HD13 LEU 59 HD13 LEU 59 5.475 3.101 0.938 213 HD21 LEU 59 HD21 LEU 59 7.801 4.205 -0.734 214 HD22 LEU 59 HD22 LEU 59 8.739 2.711 -0.745 215 HD23 LEU 59 HD23 LEU 59 6.990 2.656 -0.970 216 H GLN 60 H GLN 60 11.790 2.518 3.201 217 HA GLN 60 HA GLN 60 13.267 3.476 4.642 218 HB2 GLN 60 HB2 GLN 60 13.714 5.324 2.288 219 HB3 GLN 60 HB3 GLN 60 14.787 5.169 3.673 220 HG2 GLN 60 HG2 GLN 60 15.326 2.922 3.103 221 HG3 GLN 60 HG3 GLN 60 14.081 2.885 1.856 222 HE21 GLN 60 HE21 GLN 60 16.965 2.404 1.689 223 HE22 GLN 60 HE22 GLN 60 17.559 3.509 0.501 224 H CYS 61 H CYS 61 10.592 4.262 4.736 225 HA CYS 61 HA CYS 61 10.766 7.090 5.590 226 HG CYS 61 HG CYS 61 10.337 6.483 2.469 227 HB2 CYS 61 HB2 CYS 61 8.436 5.567 4.424 228 HB3 CYS 61 HB3 CYS 61 8.294 7.174 5.130 229 H SER 62 H SER 62 9.525 7.746 7.422 230 HA SER 62 HA SER 62 8.888 5.669 9.337 231 HG SER 62 HG SER 62 10.510 7.431 10.993 232 HB2 SER 62 HB2 SER 62 8.534 8.675 9.529 233 HB3 SER 62 HB3 SER 62 8.407 7.525 10.861 234 H LEU 63 H LEU 63 7.060 4.638 9.017 235 HA LEU 63 HA LEU 63 5.044 5.747 7.266 236 HG LEU 63 HG LEU 63 5.256 2.182 6.276 237 HB2 LEU 63 HB2 LEU 63 5.236 3.072 8.626 238 HB3 LEU 63 HB3 LEU 63 3.893 3.538 7.610 239 HD11 LEU 63 HD11 LEU 63 6.081 3.623 4.506 240 HD12 LEU 63 HD12 LEU 63 4.511 4.164 5.102 241 HD13 LEU 63 HD13 LEU 63 5.978 5.016 5.581 242 HD21 LEU 63 HD21 LEU 63 7.663 2.577 5.962 243 HD22 LEU 63 HD22 LEU 63 7.602 3.784 7.244 244 HD23 LEU 63 HD23 LEU 63 7.226 2.096 7.602 245 H ASP 64 H ASP 64 5.520 6.164 10.485 246 HA ASP 64 HA ASP 64 2.922 5.369 11.447 247 HB2 ASP 64 HB2 ASP 64 5.226 6.765 12.801 248 HB3 ASP 64 HB3 ASP 64 3.713 6.370 13.614 249 H ALA 65 H ALA 65 3.734 7.863 9.611 250 HA ALA 65 HA ALA 65 1.885 9.750 10.891 251 HB1 ALA 65 HB1 ALA 65 3.957 10.723 10.033 252 HB2 ALA 65 HB2 ALA 65 3.607 10.085 8.427 253 HB3 ALA 65 HB3 ALA 65 2.568 11.325 9.129 254 H HIS 66 H HIS 66 2.389 7.723 8.141 255 HA HIS 66 HA HIS 66 -0.232 8.403 7.092 256 HD2 HIS 66 HD2 HIS 66 2.992 5.928 4.130 257 HE1 HIS 66 HE1 HIS 66 5.654 8.419 6.265 258 HE2 HIS 66 HE2 HIS 66 5.418 6.796 4.343 259 HB2 HIS 66 HB2 HIS 66 0.735 6.887 5.111 260 HB3 HIS 66 HB3 HIS 66 0.950 8.621 5.217 261 H GLU 67 H GLU 67 -1.865 7.251 7.096 262 HA GLU 67 HA GLU 67 -1.805 4.729 8.531 263 HB2 GLU 67 HB2 GLU 67 -4.311 5.033 8.489 264 HB3 GLU 67 HB3 GLU 67 -3.417 6.294 9.328 265 HG2 GLU 67 HG2 GLU 67 -3.649 7.761 7.417 266 HG3 GLU 67 HG3 GLU 67 -4.458 6.484 6.508 267 H ILE 68 H ILE 68 -3.222 2.943 7.757 268 HA ILE 68 HA ILE 68 -2.538 2.468 4.976 269 HB ILE 68 HB ILE 68 -3.971 0.343 6.429 270 HG12 ILE 68 HG12 ILE 68 -2.539 1.394 8.222 271 HG13 ILE 68 HG13 ILE 68 -2.159 -0.286 7.866 272 HG21 ILE 68 HG21 ILE 68 -1.432 0.488 4.811 273 HG22 ILE 68 HG22 ILE 68 -2.154 -0.998 5.426 274 HG23 ILE 68 HG23 ILE 68 -3.022 -0.024 4.241 275 HD11 ILE 68 HD11 ILE 68 -0.258 0.458 6.504 276 HD12 ILE 68 HD12 ILE 68 -0.628 2.129 6.930 277 HD13 ILE 68 HD13 ILE 68 -0.140 0.985 8.183 278 H CYS 69 H CYS 69 -4.035 1.619 3.446 279 HA CYS 69 HA CYS 69 -6.864 2.022 3.897 280 HG CYS 69 HG CYS 69 -5.876 4.415 5.031 281 HB2 CYS 69 HB2 CYS 69 -5.220 3.827 2.119 282 HB3 CYS 69 HB3 CYS 69 -6.966 3.644 1.937 283 H LEU 70 H LEU 70 -8.063 1.640 1.777 284 HA LEU 70 HA LEU 70 -6.565 -0.064 -0.072 285 HG LEU 70 HG LEU 70 -6.920 -2.214 -0.364 286 HB2 LEU 70 HB2 LEU 70 -7.887 -1.235 1.885 287 HB3 LEU 70 HB3 LEU 70 -9.269 -0.897 0.860 288 HD11 LEU 70 HD11 LEU 70 -8.926 -3.578 1.415 289 HD12 LEU 70 HD12 LEU 70 -7.751 -4.398 0.385 290 HD13 LEU 70 HD13 LEU 70 -7.200 -3.396 1.729 291 HD21 LEU 70 HD21 LEU 70 -8.821 -1.617 -1.753 292 HD22 LEU 70 HD22 LEU 70 -8.700 -3.371 -1.620 293 HD23 LEU 70 HD23 LEU 70 -9.909 -2.496 -0.679 294 H GLN 71 H GLN 71 -6.919 0.787 -2.029 295 HA GLN 71 HA GLN 71 -7.847 2.018 -3.707 296 HB2 GLN 71 HB2 GLN 71 -10.189 0.400 -2.707 297 HB3 GLN 71 HB3 GLN 71 -10.309 1.438 -4.124 298 HG2 GLN 71 HG2 GLN 71 -9.059 0.068 -5.413 299 HG3 GLN 71 HG3 GLN 71 -8.026 -0.429 -4.074 300 HE21 GLN 71 HE21 GLN 71 -8.155 -2.576 -4.697 301 HE22 GLN 71 HE22 GLN 71 -9.565 -3.532 -4.410 302 H ASP 72 H ASP 72 -7.557 3.258 -1.216 303 HA ASP 72 HA ASP 72 -7.709 5.483 -0.694 304 HB2 ASP 72 HB2 ASP 72 -8.611 6.222 -2.771 305 HB3 ASP 72 HB3 ASP 72 -10.173 5.475 -2.442 306 H ILE 73 H ILE 73 -10.213 3.142 -0.216 307 HA ILE 73 HA ILE 73 -11.544 4.437 1.954 308 HB ILE 73 HB ILE 73 -11.251 1.478 1.977 309 HG12 ILE 73 HG12 ILE 73 -13.216 2.639 0.037 310 HG13 ILE 73 HG13 ILE 73 -11.555 2.338 -0.480 311 HG21 ILE 73 HG21 ILE 73 -12.662 2.582 3.597 312 HG22 ILE 73 HG22 ILE 73 -13.592 3.346 2.306 313 HG23 ILE 73 HG23 ILE 73 -13.643 1.596 2.514 314 HD11 ILE 73 HD11 ILE 73 -11.784 -0.004 0.249 315 HD12 ILE 73 HD12 ILE 73 -13.475 0.314 0.645 316 HD13 ILE 73 HD13 ILE 73 -12.926 0.438 -1.028 317 H GLN 74 H GLN 74 -10.807 4.658 4.009 318 HA GLN 74 HA GLN 74 -8.200 3.708 4.660 319 HB2 GLN 74 HB2 GLN 74 -9.151 4.573 7.055 320 HB3 GLN 74 HB3 GLN 74 -8.353 5.587 5.859 321 HG2 GLN 74 HG2 GLN 74 -11.292 5.248 5.641 322 HG3 GLN 74 HG3 GLN 74 -10.668 6.219 6.968 323 HE21 GLN 74 HE21 GLN 74 -9.009 6.050 3.866 324 HE22 GLN 74 HE22 GLN 74 -9.389 7.668 3.384 325 H LEU 75 H LEU 75 -7.608 2.315 6.313 326 HA LEU 75 HA LEU 75 -9.574 0.177 6.864 327 HG LEU 75 HG LEU 75 -8.583 -0.017 4.282 328 HB2 LEU 75 HB2 LEU 75 -6.670 0.012 6.055 329 HB3 LEU 75 HB3 LEU 75 -7.527 -1.343 6.761 330 HD11 LEU 75 HD11 LEU 75 -6.228 -0.594 3.839 331 HD12 LEU 75 HD12 LEU 75 -6.556 -2.252 4.351 332 HD13 LEU 75 HD13 LEU 75 -7.360 -1.592 2.923 333 HD21 LEU 75 HD21 LEU 75 -10.018 -1.594 5.457 334 HD22 LEU 75 HD22 LEU 75 -9.500 -2.250 3.901 335 HD23 LEU 75 HD23 LEU 75 -8.743 -2.815 5.394 336 H ASP 76 H ASP 76 -8.443 -1.354 8.672 337 HA ASP 76 HA ASP 76 -7.543 0.469 10.782 338 HB2 ASP 76 HB2 ASP 76 -9.583 -1.655 10.765 339 HB3 ASP 76 HB3 ASP 76 -8.461 -1.737 12.119 340 HA PRO 77 HA PRO 77 -3.697 -1.925 10.303 341 HB2 PRO 77 HB2 PRO 77 -3.315 -0.230 12.737 342 HB3 PRO 77 HB3 PRO 77 -2.211 -0.534 11.391 343 HG2 PRO 77 HG2 PRO 77 -3.549 1.766 11.569 344 HG3 PRO 77 HG3 PRO 77 -3.266 0.987 10.001 345 HD2 PRO 77 HD2 PRO 77 -5.765 1.175 11.601 346 HD3 PRO 77 HD3 PRO 77 -5.555 1.073 9.842 347 H ASP 78 H ASP 78 -5.810 -1.445 13.038 348 HA ASP 78 HA ASP 78 -4.683 -3.422 14.756 349 HB2 ASP 78 HB2 ASP 78 -7.326 -1.979 14.671 350 HB3 ASP 78 HB3 ASP 78 -6.960 -3.189 15.902 351 H ARG 79 H ARG 79 -6.720 -3.584 12.017 352 HA ARG 79 HA ARG 79 -7.738 -6.222 12.836 353 HE ARG 79 HE ARG 79 -11.989 -4.181 14.679 354 HB2 ARG 79 HB2 ARG 79 -9.039 -4.060 11.173 355 HB3 ARG 79 HB3 ARG 79 -9.663 -5.697 11.299 356 HG2 ARG 79 HG2 ARG 79 -9.947 -5.393 13.719 357 HG3 ARG 79 HG3 ARG 79 -9.355 -3.736 13.562 358 HD2 ARG 79 HD2 ARG 79 -11.191 -3.249 12.006 359 HD3 ARG 79 HD3 ARG 79 -11.793 -4.889 12.222 360 HH11 ARG 79 HH12 ARG 79 -12.324 -2.001 11.966 361 HH12 ARG 79 HH11 ARG 79 -13.501 -0.989 12.745 362 HH21 ARG 79 HH22 ARG 79 -13.531 -2.839 15.730 363 HH22 ARG 79 HH21 ARG 79 -14.168 -1.457 14.896 364 H SER 80 H SER 80 -8.234 -7.679 10.950 365 HA SER 80 HA SER 80 -6.034 -7.544 9.059 366 HG SER 80 HG SER 80 -8.591 -9.593 10.693 367 HB2 SER 80 HB2 SER 80 -6.590 -9.914 8.699 368 HB3 SER 80 HB3 SER 80 -6.379 -9.548 10.411 369 H LEU 81 H LEU 81 -6.562 -8.565 6.810 370 HA LEU 81 HA LEU 81 -8.589 -7.237 5.395 371 HG LEU 81 HG LEU 81 -7.475 -7.199 3.160 372 HB2 LEU 81 HB2 LEU 81 -6.919 -9.633 4.853 373 HB3 LEU 81 HB3 LEU 81 -8.344 -9.415 3.864 374 HD11 LEU 81 HD11 LEU 81 -6.074 -6.702 5.091 375 HD12 LEU 81 HD12 LEU 81 -4.991 -8.022 4.649 376 HD13 LEU 81 HD13 LEU 81 -5.156 -6.622 3.587 377 HD21 LEU 81 HD21 LEU 81 -7.099 -9.144 1.774 378 HD22 LEU 81 HD22 LEU 81 -5.690 -8.085 1.720 379 HD23 LEU 81 HD23 LEU 81 -5.652 -9.553 2.697 380 H PHE 82 H PHE 82 -8.550 -10.378 6.968 381 HA PHE 82 HA PHE 82 -11.208 -11.103 6.395 382 HD1 PHE 82 HD1 PHE 82 -9.009 -12.375 5.558 383 HD2 PHE 82 HD2 PHE 82 -11.234 -14.493 8.488 384 HE1 PHE 82 HE1 PHE 82 -8.974 -14.388 4.132 385 HE2 PHE 82 HE2 PHE 82 -11.201 -16.509 7.079 386 HZ PHE 82 HZ PHE 82 -10.071 -16.457 4.893 387 HB2 PHE 82 HB2 PHE 82 -9.183 -11.942 8.391 388 HB3 PHE 82 HB3 PHE 82 -10.854 -12.286 8.785 389 H ASP 83 H ASP 83 -9.958 -8.697 8.440 390 HA ASP 83 HA ASP 83 -12.597 -8.323 9.677 391 HB2 ASP 83 HB2 ASP 83 -9.918 -7.074 10.251 392 HB3 ASP 83 HB3 ASP 83 -11.411 -6.552 11.023 393 H GLN 84 H GLN 84 -10.767 -7.266 7.055 394 HA GLN 84 HA GLN 84 -12.597 -5.023 6.603 395 HB2 GLN 84 HB2 GLN 84 -9.632 -4.867 6.781 396 HB3 GLN 84 HB3 GLN 84 -10.438 -3.894 5.571 397 HG2 GLN 84 HG2 GLN 84 -10.497 -2.361 7.186 398 HG3 GLN 84 HG3 GLN 84 -11.904 -3.273 7.740 399 HE21 GLN 84 HE21 GLN 84 -8.614 -4.446 7.956 400 HE22 GLN 84 HE22 GLN 84 -8.491 -4.337 9.663 401 H GLY 85 H GLY 85 -13.599 -6.234 4.940 402 HA2 GLY 85 HA2 GLY 85 -13.731 -5.917 2.568 403 HA3 GLY 85 HA3 GLY 85 -11.985 -6.050 2.497 404 H VAL 86 H VAL 86 -11.010 -8.197 2.617 405 HA VAL 86 HA VAL 86 -12.814 -9.937 1.132 406 HB VAL 86 HB VAL 86 -10.839 -10.991 0.225 407 HG11 VAL 86 HG11 VAL 86 -9.902 -9.099 -1.030 408 HG12 VAL 86 HG12 VAL 86 -11.658 -9.008 -0.911 409 HG13 VAL 86 HG13 VAL 86 -10.650 -7.986 0.114 410 HG21 VAL 86 HG21 VAL 86 -8.574 -10.125 0.715 411 HG22 VAL 86 HG22 VAL 86 -9.265 -9.149 2.010 412 HG23 VAL 86 HG23 VAL 86 -9.333 -10.911 2.101 413 H LYS 87 H LYS 87 -13.139 -12.041 1.586 414 HA LYS 87 HA LYS 87 -11.678 -13.148 3.894 415 HB2 LYS 87 HB2 LYS 87 -14.455 -13.990 3.055 416 HB3 LYS 87 HB3 LYS 87 -13.599 -14.428 4.527 417 HG2 LYS 87 HG2 LYS 87 -14.548 -11.665 3.819 418 HG3 LYS 87 HG3 LYS 87 -15.362 -12.779 4.915 419 HD2 LYS 87 HD2 LYS 87 -13.655 -12.630 6.511 420 HD3 LYS 87 HD3 LYS 87 -12.499 -11.905 5.379 421 HE2 LYS 87 HE2 LYS 87 -13.282 -10.136 6.754 422 HE3 LYS 87 HE3 LYS 87 -14.127 -9.959 5.218 423 HZ1 LYS 87 HZ1 LYS 87 -15.336 -11.432 7.481 424 HZ2 LYS 87 HZ2 LYS 87 -16.107 -10.761 6.125 425 HZ3 LYS 87 HZ3 LYS 87 -15.488 -9.750 7.340 426 H THR 88 H THR 88 -10.185 -13.611 2.101 427 HA THR 88 HA THR 88 -10.995 -16.019 0.659 428 HB THR 88 HB THR 88 -10.158 -14.457 -0.904 429 HG1 THR 88 HG1 THR 88 -9.247 -16.626 -1.033 430 HG21 THR 88 HG21 THR 88 -9.067 -12.899 0.627 431 HG22 THR 88 HG22 THR 88 -8.001 -13.311 -0.717 432 HG23 THR 88 HG23 THR 88 -7.748 -14.043 0.868 433 H ASP 89 H ASP 89 -7.596 -15.695 1.029 434 HA ASP 89 HA ASP 89 -7.297 -16.448 3.711 435 HB2 ASP 89 HB2 ASP 89 -6.753 -18.776 3.608 436 HB3 ASP 89 HB3 ASP 89 -8.341 -18.576 2.876 437 H GLY 90 H GLY 90 -5.246 -16.222 4.332 438 HA2 GLY 90 HA2 GLY 90 -3.004 -16.965 4.218 439 HA3 GLY 90 HA3 GLY 90 -3.160 -17.082 2.474 440 H THR 91 H THR 91 -1.550 -15.890 1.792 441 HA THR 91 HA THR 91 -1.302 -13.133 2.795 442 HB THR 91 HB THR 91 0.711 -14.918 1.428 443 HG1 THR 91 HG1 THR 91 0.140 -15.185 3.770 444 HG21 THR 91 HG21 THR 91 1.064 -12.609 0.745 445 HG22 THR 91 HG22 THR 91 2.339 -13.123 1.850 446 HG23 THR 91 HG23 THR 91 1.033 -12.089 2.430 447 H VAL 92 H VAL 92 -2.192 -11.668 1.466 448 HA VAL 92 HA VAL 92 -2.390 -12.266 -1.390 449 HB VAL 92 HB VAL 92 -3.889 -10.413 -1.602 450 HG11 VAL 92 HG11 VAL 92 -5.021 -12.362 -1.011 451 HG12 VAL 92 HG12 VAL 92 -4.477 -12.277 0.663 452 HG13 VAL 92 HG13 VAL 92 -5.670 -11.125 0.068 453 HG21 VAL 92 HG21 VAL 92 -2.894 -8.837 -0.080 454 HG22 VAL 92 HG22 VAL 92 -4.593 -9.068 0.324 455 HG23 VAL 92 HG23 VAL 92 -3.344 -9.839 1.304 456 H GLN 93 H GLN 93 -1.871 -10.514 -2.909 457 HA GLN 93 HA GLN 93 0.547 -9.102 -2.026 458 HB2 GLN 93 HB2 GLN 93 0.473 -10.795 -4.029 459 HB3 GLN 93 HB3 GLN 93 -0.239 -9.448 -4.901 460 HG2 GLN 93 HG2 GLN 93 2.388 -9.223 -3.469 461 HG3 GLN 93 HG3 GLN 93 2.260 -9.811 -5.122 462 HE21 GLN 93 HE21 GLN 93 2.123 -7.073 -3.042 463 HE22 GLN 93 HE22 GLN 93 1.983 -5.868 -4.276 464 H LEU 94 H LEU 94 0.395 -7.067 -1.736 465 HA LEU 94 HA LEU 94 -2.075 -5.667 -2.500 466 HG LEU 94 HG LEU 94 -2.084 -5.158 1.127 467 HB2 LEU 94 HB2 LEU 94 -0.017 -4.959 -0.407 468 HB3 LEU 94 HB3 LEU 94 -1.457 -4.031 -0.755 469 HD11 LEU 94 HD11 LEU 94 -3.739 -5.574 -0.554 470 HD12 LEU 94 HD12 LEU 94 -2.897 -7.032 -1.069 471 HD13 LEU 94 HD13 LEU 94 -3.622 -6.949 0.535 472 HD21 LEU 94 HD21 LEU 94 -1.526 -7.480 1.665 473 HD22 LEU 94 HD22 LEU 94 -0.656 -7.618 0.136 474 HD23 LEU 94 HD23 LEU 94 -0.080 -6.510 1.380 475 H SER 95 H SER 95 -1.843 -4.505 -4.341 476 HA SER 95 HA SER 95 0.609 -3.017 -4.794 477 HG SER 95 HG SER 95 -0.998 -4.824 -6.689 478 HB2 SER 95 HB2 SER 95 -2.069 -2.939 -6.215 479 HB3 SER 95 HB3 SER 95 -0.653 -2.007 -6.704 480 H VAL 96 H VAL 96 0.496 -2.139 -2.672 481 HA VAL 96 HA VAL 96 -1.533 -0.136 -2.136 482 HB VAL 96 HB VAL 96 -1.086 -1.488 -0.282 483 HG11 VAL 96 HG11 VAL 96 1.012 -2.449 -1.014 484 HG12 VAL 96 HG12 VAL 96 1.855 -0.935 -0.681 485 HG13 VAL 96 HG13 VAL 96 1.154 -1.865 0.644 486 HG21 VAL 96 HG21 VAL 96 -0.273 0.018 1.421 487 HG22 VAL 96 HG22 VAL 96 0.482 1.044 0.198 488 HG23 VAL 96 HG23 VAL 96 -1.274 0.892 0.263 489 H GLN 97 H GLN 97 -1.357 1.942 -2.313 490 HA GLN 97 HA GLN 97 1.160 3.111 -3.292 491 HB2 GLN 97 HB2 GLN 97 -1.732 3.900 -3.603 492 HB3 GLN 97 HB3 GLN 97 -0.412 4.956 -4.063 493 HG2 GLN 97 HG2 GLN 97 0.377 3.067 -5.565 494 HG3 GLN 97 HG3 GLN 97 -1.184 2.316 -5.231 495 HE21 GLN 97 HE21 GLN 97 -2.598 4.849 -5.118 496 HE22 GLN 97 HE22 GLN 97 -2.744 5.399 -6.754 497 H VAL 98 H VAL 98 1.937 5.043 -2.410 498 HA VAL 98 HA VAL 98 0.757 5.834 0.120 499 HB VAL 98 HB VAL 98 2.733 6.948 0.613 500 HG11 VAL 98 HG11 VAL 98 3.516 4.545 -1.001 501 HG12 VAL 98 HG12 VAL 98 4.534 5.334 0.200 502 HG13 VAL 98 HG13 VAL 98 3.027 4.562 0.692 503 HG21 VAL 98 HG21 VAL 98 3.118 8.293 -1.299 504 HG22 VAL 98 HG22 VAL 98 4.570 7.328 -1.038 505 HG23 VAL 98 HG23 VAL 98 3.423 6.874 -2.298 506 H ILE 99 H ILE 99 -0.682 7.364 0.175 507 HA ILE 99 HA ILE 99 -0.905 9.190 -2.118 508 HB ILE 99 HB ILE 99 -2.976 8.132 -0.203 509 HG12 ILE 99 HG12 ILE 99 -2.711 7.959 -3.208 510 HG13 ILE 99 HG13 ILE 99 -2.445 6.649 -2.059 511 HG21 ILE 99 HG21 ILE 99 -3.337 10.296 -2.270 512 HG22 ILE 99 HG22 ILE 99 -4.635 9.517 -1.364 513 HG23 ILE 99 HG23 ILE 99 -3.430 10.489 -0.518 514 HD11 ILE 99 HD11 ILE 99 -4.823 6.844 -1.373 515 HD12 ILE 99 HD12 ILE 99 -5.048 8.034 -2.656 516 HD13 ILE 99 HD13 ILE 99 -4.595 6.376 -3.062 517 H SER 100 H SER 100 0.038 11.132 -1.565 518 HA SER 100 HA SER 100 -1.657 12.535 0.367 519 HG SER 100 HG SER 100 0.876 14.898 0.292 520 HB2 SER 100 HB2 SER 100 0.476 12.404 1.463 521 HB3 SER 100 HB3 SER 100 1.335 12.830 -0.006 522 H TYR 101 H TYR 101 -3.033 13.303 -1.169 523 HA TYR 101 HA TYR 101 -1.986 14.258 -3.705 524 HD1 TYR 101 HD1 TYR 101 -2.128 12.871 -5.176 525 HD2 TYR 101 HD2 TYR 101 -5.760 11.683 -3.294 526 HE1 TYR 101 HE1 TYR 101 -1.958 10.662 -6.246 527 HE2 TYR 101 HE2 TYR 101 -5.592 9.476 -4.355 528 HH TYR 101 HH TYR 101 -4.555 8.426 -6.255 529 HB2 TYR 101 HB2 TYR 101 -4.790 13.738 -2.723 530 HB3 TYR 101 HB3 TYR 101 -4.459 14.490 -4.275 531 H GLN 102 H GLN 102 -4.908 15.635 -2.559 532 HA GLN 102 HA GLN 102 -3.749 18.298 -2.886 533 HB2 GLN 102 HB2 GLN 102 -6.164 18.993 -3.032 534 HB3 GLN 102 HB3 GLN 102 -5.643 17.881 -4.290 535 HG2 GLN 102 HG2 GLN 102 -6.691 16.032 -3.121 536 HG3 GLN 102 HG3 GLN 102 -7.163 17.108 -1.809 537 HE21 GLN 102 HE21 GLN 102 -9.338 16.732 -2.044 538 HE22 GLN 102 HE22 GLN 102 -10.249 17.296 -3.406 539 H GLY 103 H GLY 103 -2.742 18.161 -0.719 540 HA2 GLY 103 HA2 GLY 103 -2.688 18.552 1.547 541 HA3 GLY 103 HA3 GLY 103 -4.200 19.426 1.317 542 H MET 104 H MET 104 -3.261 16.034 0.970 543 HA MET 104 HA MET 104 -5.742 15.317 2.368 544 HB2 MET 104 HB2 MET 104 -4.087 13.893 0.298 545 HB3 MET 104 HB3 MET 104 -5.268 13.038 1.281 546 HG2 MET 104 HG2 MET 104 -5.830 15.338 -0.575 547 HG3 MET 104 HG3 MET 104 -6.192 13.640 -0.873 548 HE1 MET 104 HE1 MET 104 -7.053 12.829 2.155 549 HE2 MET 104 HE2 MET 104 -8.809 12.979 2.046 550 HE3 MET 104 HE3 MET 104 -7.905 12.227 0.731 551 H GLU 105 H GLU 105 -5.674 13.352 3.670 552 HA GLU 105 HA GLU 105 -3.443 13.244 5.438 553 HB2 GLU 105 HB2 GLU 105 -5.844 11.430 5.097 554 HB3 GLU 105 HB3 GLU 105 -4.639 11.218 6.356 555 HG2 GLU 105 HG2 GLU 105 -6.600 12.325 7.226 556 HG3 GLU 105 HG3 GLU 105 -5.208 13.403 7.278 557 HA PRO 106 HA PRO 106 -0.846 10.613 2.840 558 HB2 PRO 106 HB2 PRO 106 0.564 9.794 5.159 559 HB3 PRO 106 HB3 PRO 106 1.052 11.028 4.000 560 HG2 PRO 106 HG2 PRO 106 -0.281 11.325 6.638 561 HG3 PRO 106 HG3 PRO 106 0.834 12.427 5.812 562 HD2 PRO 106 HD2 PRO 106 -1.792 12.948 5.965 563 HD3 PRO 106 HD3 PRO 106 -0.851 13.352 4.514 564 H LYS 107 H LYS 107 -1.903 8.862 2.229 565 HA LYS 107 HA LYS 107 -2.626 6.810 4.232 566 HB2 LYS 107 HB2 LYS 107 -4.033 7.651 1.706 567 HB3 LYS 107 HB3 LYS 107 -4.358 6.121 2.499 568 HG2 LYS 107 HG2 LYS 107 -5.184 7.246 4.447 569 HG3 LYS 107 HG3 LYS 107 -4.726 8.815 3.785 570 HD2 LYS 107 HD2 LYS 107 -6.662 6.903 2.495 571 HD3 LYS 107 HD3 LYS 107 -7.142 8.281 3.501 572 HE2 LYS 107 HE2 LYS 107 -5.916 9.759 1.892 573 HE3 LYS 107 HE3 LYS 107 -5.666 8.339 0.871 574 HZ1 LYS 107 HZ1 LYS 107 -7.999 8.125 0.549 575 HZ2 LYS 107 HZ2 LYS 107 -7.610 9.742 0.241 576 HZ3 LYS 107 HZ3 LYS 107 -8.345 9.309 1.707 577 H LEU 108 H LEU 108 -1.948 4.725 3.794 578 HA LEU 108 HA LEU 108 -0.731 4.302 1.144 579 HG LEU 108 HG LEU 108 2.024 3.117 2.825 580 HB2 LEU 108 HB2 LEU 108 -0.571 2.611 3.651 581 HB3 LEU 108 HB3 LEU 108 0.141 2.172 2.116 582 HD11 LEU 108 HD11 LEU 108 1.163 4.974 1.443 583 HD12 LEU 108 HD12 LEU 108 0.578 5.743 2.917 584 HD13 LEU 108 HD13 LEU 108 2.307 5.470 2.687 585 HD21 LEU 108 HD21 LEU 108 1.221 2.836 5.107 586 HD22 LEU 108 HD22 LEU 108 2.229 4.273 4.940 587 HD23 LEU 108 HD23 LEU 108 0.475 4.432 5.039 588 H ASN 109 H ASN 109 -2.366 3.763 -0.255 589 HA ASN 109 HA ASN 109 -4.459 1.985 0.781 590 HB2 ASN 109 HB2 ASN 109 -5.732 2.544 -1.270 591 HB3 ASN 109 HB3 ASN 109 -5.464 3.901 -0.212 592 HD21 ASN 109 HD21 ASN 109 -6.157 3.900 -2.985 593 HD22 ASN 109 HD22 ASN 109 -4.890 4.705 -3.838 594 H ILE 110 H ILE 110 -4.488 -0.018 0.300 595 HA ILE 110 HA ILE 110 -2.956 -1.214 -1.780 596 HB ILE 110 HB ILE 110 -5.330 -2.247 -0.236 597 HG12 ILE 110 HG12 ILE 110 -2.434 -2.934 0.213 598 HG13 ILE 110 HG13 ILE 110 -3.182 -1.548 1.000 599 HG21 ILE 110 HG21 ILE 110 -3.287 -3.873 -1.714 600 HG22 ILE 110 HG22 ILE 110 -4.821 -4.403 -1.024 601 HG23 ILE 110 HG23 ILE 110 -4.809 -3.358 -2.442 602 HD11 ILE 110 HD11 ILE 110 -3.125 -3.537 2.417 603 HD12 ILE 110 HD12 ILE 110 -4.769 -2.984 2.095 604 HD13 ILE 110 HD13 ILE 110 -4.130 -4.388 1.239 605 H LEU 111 H LEU 111 -3.437 -1.043 -3.899 606 HA LEU 111 HA LEU 111 -6.156 -0.294 -4.620 607 HG LEU 111 HG LEU 111 -4.322 1.946 -6.837 608 HB2 LEU 111 HB2 LEU 111 -3.573 -0.352 -6.141 609 HB3 LEU 111 HB3 LEU 111 -5.101 -0.278 -6.995 610 HD11 LEU 111 HD11 LEU 111 -6.015 3.048 -5.461 611 HD12 LEU 111 HD12 LEU 111 -6.697 1.702 -6.377 612 HD13 LEU 111 HD13 LEU 111 -6.357 1.516 -4.655 613 HD21 LEU 111 HD21 LEU 111 -3.922 1.466 -3.894 614 HD22 LEU 111 HD22 LEU 111 -2.650 1.610 -5.108 615 HD23 LEU 111 HD23 LEU 111 -3.676 2.997 -4.737 616 H GLU 112 H GLU 112 -4.459 -3.164 -4.168 617 HA GLU 112 HA GLU 112 -6.412 -4.644 -5.655 618 HB2 GLU 112 HB2 GLU 112 -4.913 -4.105 -7.497 619 HB3 GLU 112 HB3 GLU 112 -3.535 -4.696 -6.577 620 HG2 GLU 112 HG2 GLU 112 -4.490 -6.941 -6.588 621 HG3 GLU 112 HG3 GLU 112 -5.865 -6.350 -7.519 622 H ILE 113 H ILE 113 -6.766 -6.474 -4.657 623 HA ILE 113 HA ILE 113 -4.671 -7.548 -2.900 624 HB ILE 113 HB ILE 113 -7.669 -7.619 -2.599 625 HG12 ILE 113 HG12 ILE 113 -5.404 -6.525 -0.933 626 HG13 ILE 113 HG13 ILE 113 -6.706 -5.618 -1.697 627 HG21 ILE 113 HG21 ILE 113 -7.285 -9.029 -0.613 628 HG22 ILE 113 HG22 ILE 113 -6.854 -9.832 -2.124 629 HG23 ILE 113 HG23 ILE 113 -5.590 -9.176 -1.085 630 HD11 ILE 113 HD11 ILE 113 -8.312 -6.640 -0.198 631 HD12 ILE 113 HD12 ILE 113 -7.022 -7.603 0.531 632 HD13 ILE 113 HD13 ILE 113 -7.021 -5.847 0.707 633 H VAL 114 H VAL 114 -3.809 -9.368 -3.682 634 HA VAL 114 HA VAL 114 -5.633 -11.246 -4.960 635 HB VAL 114 HB VAL 114 -3.718 -11.897 -6.498 636 HG11 VAL 114 HG11 VAL 114 -5.614 -10.610 -7.317 637 HG12 VAL 114 HG12 VAL 114 -4.835 -9.112 -6.811 638 HG13 VAL 114 HG13 VAL 114 -4.122 -10.087 -8.096 639 HG21 VAL 114 HG21 VAL 114 -2.599 -9.238 -5.605 640 HG22 VAL 114 HG22 VAL 114 -1.904 -10.820 -5.256 641 HG23 VAL 114 HG23 VAL 114 -1.976 -10.234 -6.919 642 H LYS 115 H LYS 115 -5.728 -12.869 -3.507 643 HA LYS 115 HA LYS 115 -3.688 -13.549 -1.736 644 HB2 LYS 115 HB2 LYS 115 -4.870 -15.524 -1.178 645 HB3 LYS 115 HB3 LYS 115 -6.080 -14.301 -1.520 646 HG2 LYS 115 HG2 LYS 115 -6.925 -15.443 -3.250 647 HG3 LYS 115 HG3 LYS 115 -5.337 -15.979 -3.806 648 HD2 LYS 115 HD2 LYS 115 -6.921 -17.125 -1.505 649 HD3 LYS 115 HD3 LYS 115 -6.635 -17.884 -3.072 650 HE2 LYS 115 HE2 LYS 115 -4.224 -17.907 -2.610 651 HE3 LYS 115 HE3 LYS 115 -4.528 -17.187 -1.032 652 HZ1 LYS 115 HZ1 LYS 115 -5.659 -19.135 -0.322 653 HZ2 LYS 115 HZ2 LYS 115 -4.198 -19.635 -1.026 654 HZ3 LYS 115 HZ3 LYS 115 -5.650 -19.798 -1.883 655 H THR 116 H THR 116 -1.820 -14.297 -2.095 656 HA THR 116 HA THR 116 0.047 -14.992 -3.152 657 HB THR 116 HB THR 116 -1.836 -16.866 -4.600 658 HG1 THR 116 HG1 THR 116 -0.488 -16.918 -2.120 659 HG21 THR 116 HG21 THR 116 1.162 -16.925 -4.288 660 HG22 THR 116 HG22 THR 116 0.274 -16.605 -5.777 661 HG23 THR 116 HG23 THR 116 0.183 -18.196 -5.019 662 H ALA 117 H ALA 117 -2.304 -15.330 -5.789 663 HA ALA 117 HA ALA 117 -1.923 -12.940 -7.116 664 HB1 ALA 117 HB1 ALA 117 -0.401 -13.540 -8.949 665 HB2 ALA 117 HB2 ALA 117 0.427 -13.573 -7.392 666 HB3 ALA 117 HB3 ALA 117 -0.062 -15.081 -8.163 667 H GLU 118 H GLU 118 -1.653 -16.280 -8.265 668 HA GLU 118 HA GLU 118 -3.968 -15.829 -9.999 669 HB2 GLU 118 HB2 GLU 118 -3.050 -17.957 -11.106 670 HB3 GLU 118 HB3 GLU 118 -2.115 -16.476 -11.275 671 HG2 GLU 118 HG2 GLU 118 -0.671 -17.215 -9.415 672 HG3 GLU 118 HG3 GLU 118 -1.574 -18.728 -9.350 673 H THR 119 H THR 119 -5.501 -16.149 -8.335 674 HA THR 119 HA THR 119 -6.757 -18.585 -8.373 675 HB THR 119 HB THR 119 -5.141 -19.630 -7.006 676 HG1 THR 119 HG1 THR 119 -6.385 -19.900 -4.973 677 HG21 THR 119 HG21 THR 119 -4.419 -18.757 -4.827 678 HG22 THR 119 HG22 THR 119 -5.376 -17.303 -5.102 679 HG23 THR 119 HG23 THR 119 -3.996 -17.659 -6.140 680 H VAL 120 H VAL 120 -6.070 -15.804 -6.363 681 HA VAL 120 HA VAL 120 -8.668 -15.371 -5.385 682 HB VAL 120 HB VAL 120 -6.598 -14.126 -4.705 683 HG11 VAL 120 HG11 VAL 120 -5.968 -12.149 -6.042 684 HG12 VAL 120 HG12 VAL 120 -5.677 -13.673 -6.883 685 HG13 VAL 120 HG13 VAL 120 -7.076 -12.684 -7.306 686 HG21 VAL 120 HG21 VAL 120 -8.810 -13.339 -4.026 687 HG22 VAL 120 HG22 VAL 120 -7.720 -11.984 -4.321 688 HG23 VAL 120 HG23 VAL 120 -8.944 -12.409 -5.518 689 H GLU 121 H GLU 121 -10.307 -13.897 -6.215 690 HA GLU 121 HA GLU 121 -10.189 -13.592 -9.132 691 HB2 GLU 121 HB2 GLU 121 -12.559 -14.562 -7.518 692 HB3 GLU 121 HB3 GLU 121 -12.558 -14.265 -9.254 693 HG2 GLU 121 HG2 GLU 121 -10.842 -16.007 -9.535 694 HG3 GLU 121 HG3 GLU 121 -10.892 -16.323 -7.802 695 H TRP 122 H TRP 122 -10.076 -11.486 -9.433 696 HA TRP 122 HA TRP 122 -11.481 -9.694 -7.572 697 HD1 TRP 122 HD1 TRP 122 -9.394 -6.288 -9.236 698 HE1 TRP 122 HE1 TRP 122 -9.588 -4.593 -7.305 699 HE3 TRP 122 HE3 TRP 122 -10.069 -9.550 -5.383 700 HZ2 TRP 122 HZ2 TRP 122 -9.989 -4.655 -4.499 701 HZ3 TRP 122 HZ3 TRP 122 -10.351 -8.676 -3.116 702 HH2 TRP 122 HH2 TRP 122 -10.311 -6.270 -2.676 703 HB2 TRP 122 HB2 TRP 122 -8.891 -9.690 -7.939 704 HB3 TRP 122 HB3 TRP 122 -9.278 -8.846 -9.433 Start of MODEL 4 1 HA MET 34 HA MET 34 -0.273 12.493 -5.775 2 H1 MET 34 H1 MET 34 2.283 11.144 -6.427 3 H2 MET 34 H2 MET 34 1.954 11.959 -4.979 4 H3 MET 34 H3 MET 34 1.988 12.818 -6.441 5 HB2 MET 34 HB2 MET 34 0.465 10.612 -8.033 6 HB3 MET 34 HB3 MET 34 -1.134 11.273 -7.739 7 HG2 MET 34 HG2 MET 34 -0.301 13.515 -8.196 8 HG3 MET 34 HG3 MET 34 1.318 12.864 -8.461 9 HE1 MET 34 HE1 MET 34 0.334 13.785 -12.110 10 HE2 MET 34 HE2 MET 34 0.085 14.696 -10.620 11 HE3 MET 34 HE3 MET 34 1.605 13.842 -10.887 12 H ALA 35 H ALA 35 1.089 9.303 -6.566 13 HA ALA 35 HA ALA 35 0.049 8.117 -4.157 14 HB1 ALA 35 HB1 ALA 35 -1.404 6.498 -5.266 15 HB2 ALA 35 HB2 ALA 35 -1.971 8.144 -5.551 16 HB3 ALA 35 HB3 ALA 35 -1.104 7.278 -6.819 17 H GLU 36 H GLU 36 2.071 7.379 -3.721 18 HA GLU 36 HA GLU 36 3.699 6.202 -5.815 19 HB2 GLU 36 HB2 GLU 36 4.240 6.690 -2.884 20 HB3 GLU 36 HB3 GLU 36 5.436 6.138 -4.052 21 HG2 GLU 36 HG2 GLU 36 5.140 8.204 -5.324 22 HG3 GLU 36 HG3 GLU 36 3.945 8.752 -4.151 23 H CYS 37 H CYS 37 3.430 4.121 -6.327 24 HA CYS 37 HA CYS 37 2.189 2.304 -4.446 25 HG CYS 37 HG CYS 37 4.572 1.669 -7.712 26 HB2 CYS 37 HB2 CYS 37 2.198 0.740 -6.404 27 HB3 CYS 37 HB3 CYS 37 1.359 2.260 -6.700 28 H VAL 38 H VAL 38 3.066 0.526 -3.556 29 HA VAL 38 HA VAL 38 5.788 -0.277 -4.303 30 HB VAL 38 HB VAL 38 6.045 1.080 -2.280 31 HG11 VAL 38 HG11 VAL 38 3.802 0.908 -1.390 32 HG12 VAL 38 HG12 VAL 38 4.048 -0.801 -1.037 33 HG13 VAL 38 HG13 VAL 38 4.979 0.421 -0.172 34 HG21 VAL 38 HG21 VAL 38 7.521 -0.817 -2.516 35 HG22 VAL 38 HG22 VAL 38 7.108 -0.582 -0.818 36 HG23 VAL 38 HG23 VAL 38 6.335 -1.870 -1.742 37 H SER 39 H SER 39 6.139 -2.542 -4.138 38 HA SER 39 HA SER 39 3.647 -4.050 -3.940 39 HG SER 39 HG SER 39 7.016 -5.338 -5.743 40 HB2 SER 39 HB2 SER 39 5.047 -5.824 -5.149 41 HB3 SER 39 HB3 SER 39 4.660 -4.361 -6.056 42 H GLN 40 H GLN 40 3.278 -4.989 -2.056 43 HA GLN 40 HA GLN 40 5.328 -6.703 -0.904 44 HB2 GLN 40 HB2 GLN 40 4.353 -4.228 0.363 45 HB3 GLN 40 HB3 GLN 40 4.316 -5.650 1.395 46 HG2 GLN 40 HG2 GLN 40 6.781 -4.974 -0.144 47 HG3 GLN 40 HG3 GLN 40 6.410 -4.138 1.363 48 HE21 GLN 40 HE21 GLN 40 5.140 -6.442 2.572 49 HE22 GLN 40 HE22 GLN 40 6.409 -7.535 2.995 50 H ALA 41 H ALA 41 4.462 -8.292 0.532 51 HA ALA 41 HA ALA 41 1.541 -8.641 0.249 52 HB1 ALA 41 HB1 ALA 41 1.982 -11.038 0.227 53 HB2 ALA 41 HB2 ALA 41 2.850 -10.212 -1.066 54 HB3 ALA 41 HB3 ALA 41 3.711 -10.723 0.383 55 H ILE 42 H ILE 42 0.474 -9.780 2.020 56 HA ILE 42 HA ILE 42 1.826 -9.865 4.578 57 HB ILE 42 HB ILE 42 0.678 -8.236 5.760 58 HG12 ILE 42 HG12 ILE 42 -1.359 -8.201 3.531 59 HG13 ILE 42 HG13 ILE 42 -1.566 -8.839 5.147 60 HG21 ILE 42 HG21 ILE 42 2.223 -7.133 4.249 61 HG22 ILE 42 HG22 ILE 42 0.957 -6.993 3.032 62 HG23 ILE 42 HG23 ILE 42 0.816 -6.114 4.554 63 HD11 ILE 42 HD11 ILE 42 -1.181 -5.942 4.452 64 HD12 ILE 42 HD12 ILE 42 -2.703 -6.719 4.884 65 HD13 ILE 42 HD13 ILE 42 -1.406 -6.601 6.072 66 H ASP 43 H ASP 43 0.339 -10.583 6.299 67 HA ASP 43 HA ASP 43 -1.429 -12.669 5.504 68 HB2 ASP 43 HB2 ASP 43 -0.648 -11.341 8.065 69 HB3 ASP 43 HB3 ASP 43 -2.083 -12.355 8.047 70 H ILE 44 H ILE 44 -3.688 -12.642 5.235 71 HA ILE 44 HA ILE 44 -4.900 -9.996 5.373 72 HB ILE 44 HB ILE 44 -6.620 -10.774 4.010 73 HG12 ILE 44 HG12 ILE 44 -5.809 -13.649 4.349 74 HG13 ILE 44 HG13 ILE 44 -6.978 -12.876 5.417 75 HG21 ILE 44 HG21 ILE 44 -4.526 -10.607 2.806 76 HG22 ILE 44 HG22 ILE 44 -4.147 -12.285 3.198 77 HG23 ILE 44 HG23 ILE 44 -5.511 -11.913 2.146 78 HD11 ILE 44 HD11 ILE 44 -7.218 -13.071 2.430 79 HD12 ILE 44 HD12 ILE 44 -8.066 -14.081 3.602 80 HD13 ILE 44 HD13 ILE 44 -8.394 -12.347 3.533 81 H ASN 45 H ASN 45 -4.784 -12.949 7.080 82 HA ASN 45 HA ASN 45 -7.303 -12.459 8.467 83 HB2 ASN 45 HB2 ASN 45 -5.335 -14.510 9.424 84 HB3 ASN 45 HB3 ASN 45 -7.090 -14.599 9.328 85 HD21 ASN 45 HD21 ASN 45 -4.113 -15.022 7.675 86 HD22 ASN 45 HD22 ASN 45 -4.731 -15.882 6.309 87 H GLU 46 H GLU 46 -4.138 -11.430 8.556 88 HA GLU 46 HA GLU 46 -4.164 -10.861 11.423 89 HB2 GLU 46 HB2 GLU 46 -1.849 -11.267 9.510 90 HB3 GLU 46 HB3 GLU 46 -1.666 -10.687 11.158 91 HG2 GLU 46 HG2 GLU 46 -2.856 -13.345 10.399 92 HG3 GLU 46 HG3 GLU 46 -1.187 -13.091 10.907 93 HA PRO 47 HA PRO 47 -4.185 -6.549 11.136 94 HB2 PRO 47 HB2 PRO 47 -1.604 -5.604 11.491 95 HB3 PRO 47 HB3 PRO 47 -2.720 -6.053 12.782 96 HG2 PRO 47 HG2 PRO 47 -0.547 -7.675 11.506 97 HG3 PRO 47 HG3 PRO 47 -0.954 -7.511 13.227 98 HD2 PRO 47 HD2 PRO 47 -1.720 -9.658 11.918 99 HD3 PRO 47 HD3 PRO 47 -2.864 -8.863 13.015 100 H ILE 48 H ILE 48 -4.585 -5.397 9.359 101 HA ILE 48 HA ILE 48 -2.924 -5.578 7.019 102 HB ILE 48 HB ILE 48 -4.529 -4.394 5.877 103 HG12 ILE 48 HG12 ILE 48 -6.220 -2.948 7.446 104 HG13 ILE 48 HG13 ILE 48 -4.703 -2.750 8.318 105 HG21 ILE 48 HG21 ILE 48 -5.576 -6.340 6.851 106 HG22 ILE 48 HG22 ILE 48 -6.056 -5.395 8.261 107 HG23 ILE 48 HG23 ILE 48 -6.738 -5.024 6.677 108 HD11 ILE 48 HD11 ILE 48 -3.642 -1.925 6.298 109 HD12 ILE 48 HD12 ILE 48 -5.161 -2.120 5.421 110 HD13 ILE 48 HD13 ILE 48 -5.049 -0.956 6.740 111 H GLY 49 H GLY 49 -3.050 -3.625 9.813 112 HA2 GLY 49 HA2 GLY 49 -1.756 -1.326 8.665 113 HA3 GLY 49 HA3 GLY 49 -2.036 -1.611 10.376 114 H ASN 50 H ASN 50 -0.635 -4.327 9.050 115 HA ASN 50 HA ASN 50 1.817 -4.003 10.372 116 HB2 ASN 50 HB2 ASN 50 0.324 -6.069 9.288 117 HB3 ASN 50 HB3 ASN 50 1.688 -5.973 8.188 118 HD21 ASN 50 HD21 ASN 50 0.953 -8.097 9.984 119 HD22 ASN 50 HD22 ASN 50 2.291 -8.311 11.065 120 H LEU 51 H LEU 51 0.627 -2.816 7.465 121 HA LEU 51 HA LEU 51 2.755 -3.063 5.682 122 HG LEU 51 HG LEU 51 1.442 -2.776 3.498 123 HB2 LEU 51 HB2 LEU 51 0.383 -1.308 5.917 124 HB3 LEU 51 HB3 LEU 51 1.657 -0.779 4.836 125 HD11 LEU 51 HD11 LEU 51 -0.221 -4.486 3.985 126 HD12 LEU 51 HD12 LEU 51 0.978 -4.371 5.274 127 HD13 LEU 51 HD13 LEU 51 -0.624 -3.668 5.495 128 HD21 LEU 51 HD21 LEU 51 -0.153 -0.873 3.172 129 HD22 LEU 51 HD22 LEU 51 -0.720 -2.436 2.579 130 HD23 LEU 51 HD23 LEU 51 -1.334 -1.795 4.101 131 H LYS 52 H LYS 52 2.393 -0.919 8.390 132 HA LYS 52 HA LYS 52 4.228 1.060 7.400 133 HB2 LYS 52 HB2 LYS 52 3.179 0.548 10.188 134 HB3 LYS 52 HB3 LYS 52 4.242 1.882 9.773 135 HG2 LYS 52 HG2 LYS 52 2.490 2.671 8.149 136 HG3 LYS 52 HG3 LYS 52 1.427 1.420 8.816 137 HD2 LYS 52 HD2 LYS 52 1.789 2.421 11.078 138 HD3 LYS 52 HD3 LYS 52 2.665 3.738 10.293 139 HE2 LYS 52 HE2 LYS 52 0.651 4.219 8.951 140 HE3 LYS 52 HE3 LYS 52 -0.211 2.970 9.848 141 HZ1 LYS 52 HZ1 LYS 52 0.615 4.373 11.880 142 HZ2 LYS 52 HZ2 LYS 52 -0.784 4.815 11.030 143 HZ3 LYS 52 HZ3 LYS 52 0.680 5.620 10.731 144 H LYS 53 H LYS 53 4.438 -1.978 8.920 145 HA LYS 53 HA LYS 53 7.188 -1.619 9.779 146 HB2 LYS 53 HB2 LYS 53 5.296 -3.970 9.889 147 HB3 LYS 53 HB3 LYS 53 6.952 -4.019 10.483 148 HG2 LYS 53 HG2 LYS 53 6.507 -2.643 12.257 149 HG3 LYS 53 HG3 LYS 53 5.126 -1.884 11.467 150 HD2 LYS 53 HD2 LYS 53 4.393 -3.310 13.293 151 HD3 LYS 53 HD3 LYS 53 3.836 -3.943 11.745 152 HE2 LYS 53 HE2 LYS 53 5.765 -5.515 11.769 153 HE3 LYS 53 HE3 LYS 53 6.159 -4.939 13.389 154 HZ1 LYS 53 HZ1 LYS 53 4.861 -6.955 13.511 155 HZ2 LYS 53 HZ2 LYS 53 3.632 -6.265 12.569 156 HZ3 LYS 53 HZ3 LYS 53 3.953 -5.657 14.119 157 H LEU 54 H LEU 54 5.355 -3.492 7.381 158 HA LEU 54 HA LEU 54 7.686 -4.835 6.411 159 HG LEU 54 HG LEU 54 6.589 -7.028 6.425 160 HB2 LEU 54 HB2 LEU 54 4.819 -4.744 5.551 161 HB3 LEU 54 HB3 LEU 54 6.024 -5.489 4.522 162 HD11 LEU 54 HD11 LEU 54 4.090 -5.855 7.629 163 HD12 LEU 54 HD12 LEU 54 4.950 -7.278 8.215 164 HD13 LEU 54 HD13 LEU 54 5.728 -5.698 8.267 165 HD21 LEU 54 HD21 LEU 54 3.754 -7.071 5.416 166 HD22 LEU 54 HD22 LEU 54 5.167 -7.712 4.578 167 HD23 LEU 54 HD23 LEU 54 4.634 -8.445 6.091 168 H LEU 55 H LEU 55 5.947 -1.946 5.486 169 HA LEU 55 HA LEU 55 7.321 -1.851 2.920 170 HG LEU 55 HG LEU 55 4.078 -0.654 1.891 171 HB2 LEU 55 HB2 LEU 55 5.137 -0.222 4.152 172 HB3 LEU 55 HB3 LEU 55 6.017 0.378 2.757 173 HD11 LEU 55 HD11 LEU 55 4.977 -2.582 0.638 174 HD12 LEU 55 HD12 LEU 55 6.064 -1.190 0.642 175 HD13 LEU 55 HD13 LEU 55 6.394 -2.570 1.692 176 HD21 LEU 55 HD21 LEU 55 3.407 -1.922 3.870 177 HD22 LEU 55 HD22 LEU 55 3.391 -2.936 2.426 178 HD23 LEU 55 HD23 LEU 55 4.715 -3.070 3.583 179 H GLU 56 H GLU 56 7.991 -0.913 6.045 180 HA GLU 56 HA GLU 56 9.281 1.526 5.756 181 HB2 GLU 56 HB2 GLU 56 8.989 0.521 7.937 182 HB3 GLU 56 HB3 GLU 56 10.057 -0.811 7.506 183 HG2 GLU 56 HG2 GLU 56 11.920 0.762 7.294 184 HG3 GLU 56 HG3 GLU 56 10.850 2.082 7.765 185 HA PRO 57 HA PRO 57 13.371 -0.864 4.481 186 HB2 PRO 57 HB2 PRO 57 12.887 -3.329 3.352 187 HB3 PRO 57 HB3 PRO 57 13.410 -3.090 5.026 188 HG2 PRO 57 HG2 PRO 57 10.675 -3.567 3.928 189 HG3 PRO 57 HG3 PRO 57 11.426 -4.231 5.393 190 HD2 PRO 57 HD2 PRO 57 9.656 -2.223 5.500 191 HD3 PRO 57 HD3 PRO 57 11.045 -2.294 6.603 192 H ARG 58 H ARG 58 10.318 -1.295 2.869 193 HA ARG 58 HA ARG 58 11.382 -1.653 0.254 194 HE ARG 58 HE ARG 58 9.170 -5.581 0.399 195 HB2 ARG 58 HB2 ARG 58 8.629 -1.062 1.303 196 HB3 ARG 58 HB3 ARG 58 8.965 -1.250 -0.407 197 HG2 ARG 58 HG2 ARG 58 9.352 -3.312 1.754 198 HG3 ARG 58 HG3 ARG 58 8.131 -3.324 0.482 199 HD2 ARG 58 HD2 ARG 58 9.874 -3.530 -1.207 200 HD3 ARG 58 HD3 ARG 58 11.110 -3.474 0.049 201 HH11 ARG 58 HH12 ARG 58 12.227 -4.698 -1.087 202 HH12 ARG 58 HH11 ARG 58 12.784 -6.339 -1.198 203 HH21 ARG 58 HH22 ARG 58 9.893 -7.724 0.228 204 HH22 ARG 58 HH21 ARG 58 11.458 -8.062 -0.453 205 H LEU 59 H LEU 59 9.971 1.098 1.972 206 HA LEU 59 HA LEU 59 10.464 2.755 -0.399 207 HG LEU 59 HG LEU 59 7.754 1.667 0.602 208 HB2 LEU 59 HB2 LEU 59 8.853 3.342 2.084 209 HB3 LEU 59 HB3 LEU 59 9.013 4.408 0.702 210 HD11 LEU 59 HD11 LEU 59 6.473 4.395 0.703 211 HD12 LEU 59 HD12 LEU 59 5.628 2.874 0.414 212 HD13 LEU 59 HD13 LEU 59 6.415 3.163 1.966 213 HD21 LEU 59 HD21 LEU 59 8.728 2.391 -1.518 214 HD22 LEU 59 HD22 LEU 59 6.965 2.380 -1.595 215 HD23 LEU 59 HD23 LEU 59 7.831 3.906 -1.418 216 H GLN 60 H GLN 60 11.802 2.006 2.583 217 HA GLN 60 HA GLN 60 13.246 2.965 4.051 218 HB2 GLN 60 HB2 GLN 60 13.967 4.607 1.619 219 HB3 GLN 60 HB3 GLN 60 14.881 4.609 3.121 220 HG2 GLN 60 HG2 GLN 60 15.311 2.213 2.851 221 HG3 GLN 60 HG3 GLN 60 14.420 2.237 1.332 222 HE21 GLN 60 HE21 GLN 60 16.494 4.861 2.348 223 HE22 GLN 60 HE22 GLN 60 17.719 4.596 1.153 224 H CYS 61 H CYS 61 10.597 3.917 3.712 225 HA CYS 61 HA CYS 61 10.797 6.758 4.451 226 HG CYS 61 HG CYS 61 10.161 7.800 2.056 227 HB2 CYS 61 HB2 CYS 61 8.472 5.142 3.393 228 HB3 CYS 61 HB3 CYS 61 8.313 6.792 3.989 229 H SER 62 H SER 62 9.953 7.504 6.353 230 HA SER 62 HA SER 62 9.498 5.589 8.438 231 HG SER 62 HG SER 62 11.351 6.952 8.632 232 HB2 SER 62 HB2 SER 62 9.107 8.591 8.444 233 HB3 SER 62 HB3 SER 62 9.209 7.550 9.865 234 H LEU 63 H LEU 63 7.671 4.508 8.520 235 HA LEU 63 HA LEU 63 5.244 5.640 7.359 236 HG LEU 63 HG LEU 63 5.176 2.196 6.090 237 HB2 LEU 63 HB2 LEU 63 5.741 2.894 8.509 238 HB3 LEU 63 HB3 LEU 63 4.237 3.416 7.781 239 HD11 LEU 63 HD11 LEU 63 6.103 3.653 4.372 240 HD12 LEU 63 HD12 LEU 63 4.700 4.379 5.166 241 HD13 LEU 63 HD13 LEU 63 6.329 4.925 5.575 242 HD21 LEU 63 HD21 LEU 63 7.571 2.190 5.545 243 HD22 LEU 63 HD22 LEU 63 7.852 3.254 6.923 244 HD23 LEU 63 HD23 LEU 63 7.208 1.631 7.179 245 H ASP 64 H ASP 64 4.315 7.075 8.698 246 HA ASP 64 HA ASP 64 3.687 6.198 11.402 247 HB2 ASP 64 HB2 ASP 64 4.366 8.432 12.335 248 HB3 ASP 64 HB3 ASP 64 5.686 7.390 11.838 249 H ALA 65 H ALA 65 3.360 9.361 9.743 250 HA ALA 65 HA ALA 65 0.792 9.770 10.877 251 HB1 ALA 65 HB1 ALA 65 2.306 11.605 10.357 252 HB2 ALA 65 HB2 ALA 65 2.149 11.252 8.636 253 HB3 ALA 65 HB3 ALA 65 0.750 11.809 9.552 254 H HIS 66 H HIS 66 1.832 8.340 7.901 255 HA HIS 66 HA HIS 66 -0.730 8.672 6.666 256 HD2 HIS 66 HD2 HIS 66 2.939 7.805 3.541 257 HE1 HIS 66 HE1 HIS 66 5.004 6.941 7.115 258 HE2 HIS 66 HE2 HIS 66 5.241 7.693 4.716 259 HB2 HIS 66 HB2 HIS 66 0.357 6.832 5.057 260 HB3 HIS 66 HB3 HIS 66 0.604 8.564 4.883 261 H GLU 67 H GLU 67 -2.394 7.624 6.913 262 HA GLU 67 HA GLU 67 -2.510 5.239 8.531 263 HB2 GLU 67 HB2 GLU 67 -4.180 6.946 8.870 264 HB3 GLU 67 HB3 GLU 67 -4.599 6.953 7.165 265 HG2 GLU 67 HG2 GLU 67 -6.313 5.834 8.399 266 HG3 GLU 67 HG3 GLU 67 -5.456 4.656 7.407 267 H ILE 68 H ILE 68 -3.541 3.282 7.820 268 HA ILE 68 HA ILE 68 -2.725 2.634 5.107 269 HB ILE 68 HB ILE 68 -4.138 0.573 6.683 270 HG12 ILE 68 HG12 ILE 68 -2.768 1.847 8.399 271 HG13 ILE 68 HG13 ILE 68 -2.365 0.143 8.226 272 HG21 ILE 68 HG21 ILE 68 -3.128 0.057 4.559 273 HG22 ILE 68 HG22 ILE 68 -1.571 0.686 5.105 274 HG23 ILE 68 HG23 ILE 68 -2.240 -0.775 5.836 275 HD11 ILE 68 HD11 ILE 68 -0.841 2.460 7.067 276 HD12 ILE 68 HD12 ILE 68 -0.369 1.472 8.450 277 HD13 ILE 68 HD13 ILE 68 -0.443 0.758 6.839 278 H CYS 69 H CYS 69 -4.145 1.662 3.557 279 HA CYS 69 HA CYS 69 -6.985 2.039 3.887 280 HG CYS 69 HG CYS 69 -6.068 4.443 5.017 281 HB2 CYS 69 HB2 CYS 69 -5.347 3.829 2.086 282 HB3 CYS 69 HB3 CYS 69 -7.091 3.638 1.933 283 H LEU 70 H LEU 70 -8.103 1.604 1.742 284 HA LEU 70 HA LEU 70 -6.517 -0.047 -0.069 285 HG LEU 70 HG LEU 70 -6.774 -2.204 -0.436 286 HB2 LEU 70 HB2 LEU 70 -7.668 -1.340 1.880 287 HB3 LEU 70 HB3 LEU 70 -9.130 -1.074 0.946 288 HD11 LEU 70 HD11 LEU 70 -6.854 -3.450 1.639 289 HD12 LEU 70 HD12 LEU 70 -8.577 -3.751 1.414 290 HD13 LEU 70 HD13 LEU 70 -7.406 -4.457 0.299 291 HD21 LEU 70 HD21 LEU 70 -9.744 -2.732 -0.597 292 HD22 LEU 70 HD22 LEU 70 -8.817 -1.698 -1.683 293 HD23 LEU 70 HD23 LEU 70 -8.516 -3.436 -1.648 294 H GLN 71 H GLN 71 -6.954 0.671 -2.043 295 HA GLN 71 HA GLN 71 -7.956 1.835 -3.724 296 HB2 GLN 71 HB2 GLN 71 -10.237 0.201 -2.617 297 HB3 GLN 71 HB3 GLN 71 -10.433 1.220 -4.037 298 HG2 GLN 71 HG2 GLN 71 -9.213 -0.143 -5.364 299 HG3 GLN 71 HG3 GLN 71 -8.122 -0.612 -4.065 300 HE21 GLN 71 HE21 GLN 71 -8.229 -2.769 -4.668 301 HE22 GLN 71 HE22 GLN 71 -9.609 -3.756 -4.336 302 H ASP 72 H ASP 72 -7.613 3.082 -1.226 303 HA ASP 72 HA ASP 72 -7.795 5.244 -0.559 304 HB2 ASP 72 HB2 ASP 72 -8.645 6.058 -2.656 305 HB3 ASP 72 HB3 ASP 72 -10.248 5.396 -2.322 306 H ILE 73 H ILE 73 -10.183 2.821 -0.178 307 HA ILE 73 HA ILE 73 -11.701 3.992 1.914 308 HB ILE 73 HB ILE 73 -10.990 1.065 1.776 309 HG12 ILE 73 HG12 ILE 73 -13.350 2.211 0.308 310 HG13 ILE 73 HG13 ILE 73 -11.781 2.038 -0.481 311 HG21 ILE 73 HG21 ILE 73 -12.215 1.816 3.730 312 HG22 ILE 73 HG22 ILE 73 -13.463 2.517 2.700 313 HG23 ILE 73 HG23 ILE 73 -13.221 0.769 2.729 314 HD11 ILE 73 HD11 ILE 73 -13.452 -0.150 0.728 315 HD12 ILE 73 HD12 ILE 73 -13.107 0.111 -0.982 316 HD13 ILE 73 HD13 ILE 73 -11.810 -0.368 0.121 317 H GLN 74 H GLN 74 -10.848 4.652 3.837 318 HA GLN 74 HA GLN 74 -8.282 3.794 4.681 319 HB2 GLN 74 HB2 GLN 74 -9.387 4.810 6.986 320 HB3 GLN 74 HB3 GLN 74 -8.465 5.714 5.794 321 HG2 GLN 74 HG2 GLN 74 -11.397 5.436 5.397 322 HG3 GLN 74 HG3 GLN 74 -10.815 6.515 6.657 323 HE21 GLN 74 HE21 GLN 74 -9.025 5.967 3.685 324 HE22 GLN 74 HE22 GLN 74 -9.306 7.535 3.021 325 H LEU 75 H LEU 75 -7.660 2.411 6.235 326 HA LEU 75 HA LEU 75 -9.638 0.307 6.861 327 HG LEU 75 HG LEU 75 -8.488 0.160 4.262 328 HB2 LEU 75 HB2 LEU 75 -6.713 0.100 6.134 329 HB3 LEU 75 HB3 LEU 75 -7.637 -1.237 6.788 330 HD11 LEU 75 HD11 LEU 75 -6.187 -0.623 3.935 331 HD12 LEU 75 HD12 LEU 75 -6.669 -2.235 4.471 332 HD13 LEU 75 HD13 LEU 75 -7.351 -1.556 2.989 333 HD21 LEU 75 HD21 LEU 75 -9.000 -2.558 5.450 334 HD22 LEU 75 HD22 LEU 75 -10.158 -1.238 5.265 335 HD23 LEU 75 HD23 LEU 75 -9.514 -2.053 3.837 336 H ASP 76 H ASP 76 -8.520 -1.182 8.712 337 HA ASP 76 HA ASP 76 -7.562 0.679 10.763 338 HB2 ASP 76 HB2 ASP 76 -9.718 -1.385 10.923 339 HB3 ASP 76 HB3 ASP 76 -8.734 -1.073 12.349 340 HA PRO 77 HA PRO 77 -3.956 -2.072 10.654 341 HB2 PRO 77 HB2 PRO 77 -3.552 -0.280 13.014 342 HB3 PRO 77 HB3 PRO 77 -2.408 -0.756 11.753 343 HG2 PRO 77 HG2 PRO 77 -3.533 1.653 11.713 344 HG3 PRO 77 HG3 PRO 77 -3.281 0.744 10.210 345 HD2 PRO 77 HD2 PRO 77 -5.796 1.241 11.726 346 HD3 PRO 77 HD3 PRO 77 -5.550 1.056 9.978 347 H ASP 78 H ASP 78 -6.232 -1.361 13.195 348 HA ASP 78 HA ASP 78 -5.329 -3.281 15.098 349 HB2 ASP 78 HB2 ASP 78 -8.022 -1.951 14.716 350 HB3 ASP 78 HB3 ASP 78 -7.588 -2.934 16.113 351 H ARG 79 H ARG 79 -6.943 -3.543 12.137 352 HA ARG 79 HA ARG 79 -8.109 -6.149 12.843 353 HE ARG 79 HE ARG 79 -11.922 -3.437 14.694 354 HB2 ARG 79 HB2 ARG 79 -9.312 -3.963 11.122 355 HB3 ARG 79 HB3 ARG 79 -9.984 -5.579 11.304 356 HG2 ARG 79 HG2 ARG 79 -10.376 -5.197 13.656 357 HG3 ARG 79 HG3 ARG 79 -9.583 -3.624 13.562 358 HD2 ARG 79 HD2 ARG 79 -11.316 -2.936 11.908 359 HD3 ARG 79 HD3 ARG 79 -12.146 -4.458 12.222 360 HH11 ARG 79 HH12 ARG 79 -12.979 -2.016 11.680 361 HH12 ARG 79 HH11 ARG 79 -14.090 -0.912 12.427 362 HH21 ARG 79 HH22 ARG 79 -13.383 -1.989 15.701 363 HH22 ARG 79 HH21 ARG 79 -14.309 -0.886 14.719 364 H SER 80 H SER 80 -8.482 -7.532 10.889 365 HA SER 80 HA SER 80 -6.196 -7.306 9.104 366 HG SER 80 HG SER 80 -6.694 -10.310 11.108 367 HB2 SER 80 HB2 SER 80 -8.078 -9.630 9.425 368 HB3 SER 80 HB3 SER 80 -6.388 -9.645 8.911 369 H LEU 81 H LEU 81 -6.614 -8.365 6.828 370 HA LEU 81 HA LEU 81 -8.591 -7.051 5.337 371 HG LEU 81 HG LEU 81 -7.371 -6.981 3.159 372 HB2 LEU 81 HB2 LEU 81 -6.868 -9.425 4.854 373 HB3 LEU 81 HB3 LEU 81 -8.248 -9.216 3.802 374 HD11 LEU 81 HD11 LEU 81 -5.063 -6.411 3.689 375 HD12 LEU 81 HD12 LEU 81 -6.065 -6.476 5.138 376 HD13 LEU 81 HD13 LEU 81 -4.966 -7.804 4.767 377 HD21 LEU 81 HD21 LEU 81 -5.495 -9.304 2.745 378 HD22 LEU 81 HD22 LEU 81 -6.920 -8.928 1.777 379 HD23 LEU 81 HD23 LEU 81 -5.537 -7.835 1.774 380 H PHE 82 H PHE 82 -8.606 -10.218 6.887 381 HA PHE 82 HA PHE 82 -11.228 -10.957 6.197 382 HD1 PHE 82 HD2 PHE 82 -10.348 -12.168 5.158 383 HD2 PHE 82 HD1 PHE 82 -10.022 -14.457 8.726 384 HE1 PHE 82 HE2 PHE 82 -10.261 -14.238 3.823 385 HE2 PHE 82 HE1 PHE 82 -9.944 -16.527 7.402 386 HZ PHE 82 HZ PHE 82 -10.063 -16.418 4.946 387 HB2 PHE 82 HB2 PHE 82 -9.322 -11.783 8.326 388 HB3 PHE 82 HB3 PHE 82 -11.021 -12.107 8.633 389 H ASP 83 H ASP 83 -10.132 -8.511 8.314 390 HA ASP 83 HA ASP 83 -12.874 -8.141 9.310 391 HB2 ASP 83 HB2 ASP 83 -10.210 -7.278 10.287 392 HB3 ASP 83 HB3 ASP 83 -11.563 -6.189 10.584 393 H GLN 84 H GLN 84 -10.859 -7.104 6.856 394 HA GLN 84 HA GLN 84 -12.571 -4.781 6.357 395 HB2 GLN 84 HB2 GLN 84 -9.636 -4.753 6.773 396 HB3 GLN 84 HB3 GLN 84 -10.271 -3.746 5.494 397 HG2 GLN 84 HG2 GLN 84 -10.495 -2.192 7.060 398 HG3 GLN 84 HG3 GLN 84 -11.918 -3.107 7.569 399 HE21 GLN 84 HE21 GLN 84 -8.642 -4.256 7.947 400 HE22 GLN 84 HE22 GLN 84 -8.587 -4.105 9.659 401 H GLY 85 H GLY 85 -13.515 -6.061 4.688 402 HA2 GLY 85 HA2 GLY 85 -13.603 -5.635 2.328 403 HA3 GLY 85 HA3 GLY 85 -11.856 -5.770 2.279 404 H VAL 86 H VAL 86 -10.895 -7.936 2.423 405 HA VAL 86 HA VAL 86 -12.636 -9.632 0.815 406 HB VAL 86 HB VAL 86 -10.594 -10.701 0.023 407 HG11 VAL 86 HG11 VAL 86 -10.468 -7.697 -0.162 408 HG12 VAL 86 HG12 VAL 86 -9.688 -8.832 -1.263 409 HG13 VAL 86 HG13 VAL 86 -11.448 -8.759 -1.175 410 HG21 VAL 86 HG21 VAL 86 -8.379 -9.729 0.580 411 HG22 VAL 86 HG22 VAL 86 -9.158 -8.781 1.844 412 HG23 VAL 86 HG23 VAL 86 -9.158 -10.545 1.938 413 H LYS 87 H LYS 87 -13.197 -11.624 1.370 414 HA LYS 87 HA LYS 87 -11.736 -12.883 3.600 415 HB2 LYS 87 HB2 LYS 87 -14.494 -13.679 2.661 416 HB3 LYS 87 HB3 LYS 87 -13.695 -14.107 4.170 417 HG2 LYS 87 HG2 LYS 87 -14.578 -11.337 3.407 418 HG3 LYS 87 HG3 LYS 87 -15.469 -12.436 4.456 419 HD2 LYS 87 HD2 LYS 87 -13.905 -12.278 6.168 420 HD3 LYS 87 HD3 LYS 87 -12.618 -11.674 5.107 421 HE2 LYS 87 HE2 LYS 87 -13.447 -9.845 6.438 422 HE3 LYS 87 HE3 LYS 87 -13.981 -9.605 4.777 423 HZ1 LYS 87 HZ1 LYS 87 -15.644 -10.753 6.955 424 HZ2 LYS 87 HZ2 LYS 87 -16.151 -10.461 5.367 425 HZ3 LYS 87 HZ3 LYS 87 -15.755 -9.167 6.379 426 H THR 88 H THR 88 -10.176 -13.358 1.905 427 HA THR 88 HA THR 88 -11.032 -15.539 0.160 428 HB THR 88 HB THR 88 -10.083 -13.900 -1.211 429 HG1 THR 88 HG1 THR 88 -9.220 -15.826 -1.836 430 HG21 THR 88 HG21 THR 88 -7.881 -12.851 -0.827 431 HG22 THR 88 HG22 THR 88 -7.779 -13.671 0.731 432 HG23 THR 88 HG23 THR 88 -9.041 -12.474 0.446 433 H ASP 89 H ASP 89 -7.625 -15.236 0.894 434 HA ASP 89 HA ASP 89 -7.573 -16.778 3.237 435 HB2 ASP 89 HB2 ASP 89 -8.386 -18.644 2.076 436 HB3 ASP 89 HB3 ASP 89 -7.431 -18.287 0.646 437 H GLY 90 H GLY 90 -5.769 -16.193 4.142 438 HA2 GLY 90 HA2 GLY 90 -3.528 -16.761 4.519 439 HA3 GLY 90 HA3 GLY 90 -3.346 -17.089 2.806 440 H THR 91 H THR 91 -1.831 -15.880 2.022 441 HA THR 91 HA THR 91 -1.541 -13.100 2.948 442 HB THR 91 HB THR 91 0.479 -14.972 1.689 443 HG1 THR 91 HG1 THR 91 -0.232 -14.988 4.096 444 HG21 THR 91 HG21 THR 91 0.871 -12.673 0.938 445 HG22 THR 91 HG22 THR 91 2.130 -13.197 2.060 446 HG23 THR 91 HG23 THR 91 0.851 -12.120 2.615 447 H VAL 92 H VAL 92 -2.204 -11.596 1.531 448 HA VAL 92 HA VAL 92 -2.265 -12.296 -1.326 449 HB VAL 92 HB VAL 92 -3.718 -10.422 -1.688 450 HG11 VAL 92 HG11 VAL 92 -4.895 -12.356 -1.070 451 HG12 VAL 92 HG12 VAL 92 -4.501 -12.144 0.633 452 HG13 VAL 92 HG13 VAL 92 -5.620 -11.035 -0.153 453 HG21 VAL 92 HG21 VAL 92 -2.740 -8.843 -0.121 454 HG22 VAL 92 HG22 VAL 92 -4.483 -8.961 0.107 455 HG23 VAL 92 HG23 VAL 92 -3.391 -9.767 1.237 456 H GLN 93 H GLN 93 -1.666 -10.530 -2.830 457 HA GLN 93 HA GLN 93 0.742 -9.181 -1.850 458 HB2 GLN 93 HB2 GLN 93 0.620 -10.790 -3.936 459 HB3 GLN 93 HB3 GLN 93 -0.019 -9.369 -4.745 460 HG2 GLN 93 HG2 GLN 93 2.565 -9.261 -3.244 461 HG3 GLN 93 HG3 GLN 93 2.491 -9.861 -4.897 462 HE21 GLN 93 HE21 GLN 93 2.264 -7.095 -2.835 463 HE22 GLN 93 HE22 GLN 93 2.212 -5.904 -4.088 464 H LEU 94 H LEU 94 0.651 -7.098 -1.522 465 HA LEU 94 HA LEU 94 -1.814 -5.670 -2.271 466 HG LEU 94 HG LEU 94 -1.814 -5.169 1.359 467 HB2 LEU 94 HB2 LEU 94 0.237 -5.002 -0.162 468 HB3 LEU 94 HB3 LEU 94 -1.179 -4.042 -0.519 469 HD11 LEU 94 HD11 LEU 94 -2.756 -6.793 -0.959 470 HD12 LEU 94 HD12 LEU 94 -3.334 -7.047 0.690 471 HD13 LEU 94 HD13 LEU 94 -3.584 -5.496 -0.099 472 HD21 LEU 94 HD21 LEU 94 -0.459 -7.636 0.297 473 HD22 LEU 94 HD22 LEU 94 0.110 -6.598 1.604 474 HD23 LEU 94 HD23 LEU 94 -1.363 -7.548 1.811 475 H SER 95 H SER 95 -1.603 -4.455 -4.073 476 HA SER 95 HA SER 95 0.863 -2.962 -4.482 477 HG SER 95 HG SER 95 0.863 -1.972 -6.739 478 HB2 SER 95 HB2 SER 95 -0.496 -3.770 -6.432 479 HB3 SER 95 HB3 SER 95 -1.782 -2.671 -5.941 480 H VAL 96 H VAL 96 0.694 -2.150 -2.337 481 HA VAL 96 HA VAL 96 -1.354 -0.206 -1.748 482 HB VAL 96 HB VAL 96 -0.772 -1.518 0.099 483 HG11 VAL 96 HG11 VAL 96 1.511 -1.847 0.912 484 HG12 VAL 96 HG12 VAL 96 1.326 -2.414 -0.750 485 HG13 VAL 96 HG13 VAL 96 2.134 -0.878 -0.426 486 HG21 VAL 96 HG21 VAL 96 0.617 1.150 0.362 487 HG22 VAL 96 HG22 VAL 96 -1.051 0.755 0.775 488 HG23 VAL 96 HG23 VAL 96 0.275 0.074 1.716 489 H GLN 97 H GLN 97 -1.198 1.923 -1.729 490 HA GLN 97 HA GLN 97 1.189 3.101 -2.977 491 HB2 GLN 97 HB2 GLN 97 -1.735 3.720 -3.371 492 HB3 GLN 97 HB3 GLN 97 -0.444 4.689 -4.028 493 HG2 GLN 97 HG2 GLN 97 0.331 2.461 -5.111 494 HG3 GLN 97 HG3 GLN 97 -1.320 1.955 -4.763 495 HE21 GLN 97 HE21 GLN 97 -2.411 4.617 -5.176 496 HE22 GLN 97 HE22 GLN 97 -2.413 4.883 -6.888 497 H VAL 98 H VAL 98 1.778 5.160 -2.379 498 HA VAL 98 HA VAL 98 0.805 6.084 0.218 499 HB VAL 98 HB VAL 98 3.045 7.139 -1.460 500 HG11 VAL 98 HG11 VAL 98 2.425 7.509 1.457 501 HG12 VAL 98 HG12 VAL 98 3.874 8.103 0.649 502 HG13 VAL 98 HG13 VAL 98 2.291 8.728 0.192 503 HG21 VAL 98 HG21 VAL 98 3.140 5.068 0.708 504 HG22 VAL 98 HG22 VAL 98 3.548 4.855 -0.995 505 HG23 VAL 98 HG23 VAL 98 4.559 5.870 0.034 506 H ILE 99 H ILE 99 -0.981 7.302 0.017 507 HA ILE 99 HA ILE 99 -1.165 9.233 -2.185 508 HB ILE 99 HB ILE 99 -3.246 8.123 -0.315 509 HG12 ILE 99 HG12 ILE 99 -2.854 7.938 -3.306 510 HG13 ILE 99 HG13 ILE 99 -2.663 6.635 -2.138 511 HG21 ILE 99 HG21 ILE 99 -3.706 10.480 -0.674 512 HG22 ILE 99 HG22 ILE 99 -3.591 10.255 -2.419 513 HG23 ILE 99 HG23 ILE 99 -4.892 9.481 -1.513 514 HD11 ILE 99 HD11 ILE 99 -5.058 6.818 -1.593 515 HD12 ILE 99 HD12 ILE 99 -5.221 8.038 -2.859 516 HD13 ILE 99 HD13 ILE 99 -4.749 6.390 -3.282 517 H SER 100 H SER 100 -0.142 11.116 -1.503 518 HA SER 100 HA SER 100 -1.830 12.444 0.496 519 HG SER 100 HG SER 100 -0.123 14.295 1.991 520 HB2 SER 100 HB2 SER 100 0.432 12.346 1.389 521 HB3 SER 100 HB3 SER 100 1.089 12.986 -0.108 522 H TYR 101 H TYR 101 -3.319 13.078 -1.010 523 HA TYR 101 HA TYR 101 -2.494 14.413 -3.433 524 HD1 TYR 101 HD2 TYR 101 -3.380 14.111 -5.541 525 HD2 TYR 101 HD1 TYR 101 -5.556 11.406 -3.065 526 HE1 TYR 101 HE2 TYR 101 -3.227 12.381 -7.291 527 HE2 TYR 101 HE1 TYR 101 -5.408 9.685 -4.808 528 HH TYR 101 HH TYR 101 -3.332 9.910 -7.470 529 HB2 TYR 101 HB2 TYR 101 -5.118 13.547 -2.285 530 HB3 TYR 101 HB3 TYR 101 -5.106 14.790 -3.532 531 H GLN 102 H GLN 102 -4.282 16.365 -3.803 532 HA GLN 102 HA GLN 102 -3.224 18.628 -2.726 533 HB2 GLN 102 HB2 GLN 102 -4.650 18.757 -4.618 534 HB3 GLN 102 HB3 GLN 102 -5.998 18.047 -3.746 535 HG2 GLN 102 HG2 GLN 102 -6.265 20.446 -4.149 536 HG3 GLN 102 HG3 GLN 102 -6.262 20.036 -2.435 537 HE21 GLN 102 HE21 GLN 102 -4.573 20.704 -1.139 538 HE22 GLN 102 HE22 GLN 102 -3.415 21.890 -1.661 539 H GLY 103 H GLY 103 -2.857 18.812 -0.598 540 HA2 GLY 103 HA2 GLY 103 -3.250 19.155 1.635 541 HA3 GLY 103 HA3 GLY 103 -4.795 19.808 1.121 542 H MET 104 H MET 104 -3.762 16.473 0.661 543 HA MET 104 HA MET 104 -6.201 15.722 2.088 544 HB2 MET 104 HB2 MET 104 -4.679 14.481 -0.169 545 HB3 MET 104 HB3 MET 104 -5.722 13.478 0.832 546 HG2 MET 104 HG2 MET 104 -6.558 15.915 -0.727 547 HG3 MET 104 HG3 MET 104 -6.879 14.235 -1.162 548 HE1 MET 104 HE1 MET 104 -9.292 13.110 1.722 549 HE2 MET 104 HE2 MET 104 -8.467 12.624 0.240 550 HE3 MET 104 HE3 MET 104 -7.535 12.962 1.699 551 H GLU 105 H GLU 105 -6.110 13.465 3.034 552 HA GLU 105 HA GLU 105 -4.085 13.441 5.052 553 HB2 GLU 105 HB2 GLU 105 -6.219 11.389 4.434 554 HB3 GLU 105 HB3 GLU 105 -5.291 11.507 5.921 555 HG2 GLU 105 HG2 GLU 105 -6.366 13.555 6.511 556 HG3 GLU 105 HG3 GLU 105 -7.163 13.648 4.938 557 HA PRO 106 HA PRO 106 -1.200 10.850 2.700 558 HB2 PRO 106 HB2 PRO 106 0.150 10.254 5.100 559 HB3 PRO 106 HB3 PRO 106 0.591 11.484 3.913 560 HG2 PRO 106 HG2 PRO 106 -0.891 11.763 6.481 561 HG3 PRO 106 HG3 PRO 106 0.213 12.903 5.692 562 HD2 PRO 106 HD2 PRO 106 -2.445 13.281 5.669 563 HD3 PRO 106 HD3 PRO 106 -1.435 13.707 4.273 564 H LYS 107 H LYS 107 -2.086 8.979 2.174 565 HA LYS 107 HA LYS 107 -2.699 7.020 4.303 566 HB2 LYS 107 HB2 LYS 107 -4.148 7.531 1.702 567 HB3 LYS 107 HB3 LYS 107 -4.408 6.111 2.705 568 HG2 LYS 107 HG2 LYS 107 -5.362 7.380 4.438 569 HG3 LYS 107 HG3 LYS 107 -4.807 8.900 3.732 570 HD2 LYS 107 HD2 LYS 107 -6.724 7.021 2.377 571 HD3 LYS 107 HD3 LYS 107 -7.242 8.407 3.358 572 HE2 LYS 107 HE2 LYS 107 -5.756 9.800 1.829 573 HE3 LYS 107 HE3 LYS 107 -5.697 8.380 0.784 574 HZ1 LYS 107 HZ1 LYS 107 -7.428 10.035 0.183 575 HZ2 LYS 107 HZ2 LYS 107 -8.220 9.693 1.642 576 HZ3 LYS 107 HZ3 LYS 107 -8.042 8.483 0.463 577 H LEU 108 H LEU 108 -1.980 4.925 3.935 578 HA LEU 108 HA LEU 108 -0.659 4.427 1.347 579 HG LEU 108 HG LEU 108 2.001 3.140 2.925 580 HB2 LEU 108 HB2 LEU 108 -0.597 2.922 3.969 581 HB3 LEU 108 HB3 LEU 108 0.023 2.240 2.484 582 HD11 LEU 108 HD11 LEU 108 2.356 5.562 2.915 583 HD12 LEU 108 HD12 LEU 108 1.338 5.028 1.577 584 HD13 LEU 108 HD13 LEU 108 0.612 5.806 2.983 585 HD21 LEU 108 HD21 LEU 108 2.421 4.321 5.004 586 HD22 LEU 108 HD22 LEU 108 0.684 4.537 5.238 587 HD23 LEU 108 HD23 LEU 108 1.383 2.916 5.255 588 H ASN 109 H ASN 109 -2.273 3.875 -0.105 589 HA ASN 109 HA ASN 109 -4.332 2.036 0.966 590 HB2 ASN 109 HB2 ASN 109 -5.670 2.496 -1.037 591 HB3 ASN 109 HB3 ASN 109 -5.468 3.886 -0.013 592 HD21 ASN 109 HD21 ASN 109 -6.249 3.831 -2.739 593 HD22 ASN 109 HD22 ASN 109 -5.052 4.682 -3.642 594 H ILE 110 H ILE 110 -4.460 0.086 0.361 595 HA ILE 110 HA ILE 110 -2.789 -0.983 -1.698 596 HB ILE 110 HB ILE 110 -5.168 -2.306 -0.413 597 HG12 ILE 110 HG12 ILE 110 -2.341 -2.095 0.635 598 HG13 ILE 110 HG13 ILE 110 -3.739 -1.285 1.315 599 HG21 ILE 110 HG21 ILE 110 -3.928 -3.279 -2.411 600 HG22 ILE 110 HG22 ILE 110 -2.597 -3.560 -1.296 601 HG23 ILE 110 HG23 ILE 110 -4.165 -4.317 -1.016 602 HD11 ILE 110 HD11 ILE 110 -3.296 -4.253 1.212 603 HD12 ILE 110 HD12 ILE 110 -3.149 -3.212 2.628 604 HD13 ILE 110 HD13 ILE 110 -4.723 -3.449 1.867 605 H LEU 111 H LEU 111 -3.265 -0.954 -3.802 606 HA LEU 111 HA LEU 111 -6.041 -0.386 -4.530 607 HG LEU 111 HG LEU 111 -4.351 2.092 -6.645 608 HB2 LEU 111 HB2 LEU 111 -3.446 -0.137 -6.022 609 HB3 LEU 111 HB3 LEU 111 -4.967 -0.205 -6.893 610 HD11 LEU 111 HD11 LEU 111 -6.725 1.622 -6.412 611 HD12 LEU 111 HD12 LEU 111 -6.520 1.396 -4.674 612 HD13 LEU 111 HD13 LEU 111 -6.256 2.985 -5.393 613 HD21 LEU 111 HD21 LEU 111 -4.026 3.118 -4.445 614 HD22 LEU 111 HD22 LEU 111 -4.144 1.524 -3.698 615 HD23 LEU 111 HD23 LEU 111 -2.813 1.888 -4.796 616 H GLU 112 H GLU 112 -4.060 -3.039 -4.057 617 HA GLU 112 HA GLU 112 -5.603 -4.664 -5.908 618 HB2 GLU 112 HB2 GLU 112 -3.820 -4.009 -7.369 619 HB3 GLU 112 HB3 GLU 112 -2.612 -4.312 -6.130 620 HG2 GLU 112 HG2 GLU 112 -3.056 -6.692 -6.247 621 HG3 GLU 112 HG3 GLU 112 -4.312 -6.413 -7.452 622 H ILE 113 H ILE 113 -6.167 -6.398 -4.868 623 HA ILE 113 HA ILE 113 -4.325 -7.521 -2.876 624 HB ILE 113 HB ILE 113 -7.333 -7.377 -2.829 625 HG12 ILE 113 HG12 ILE 113 -5.124 -6.556 -0.954 626 HG13 ILE 113 HG13 ILE 113 -6.323 -5.526 -1.729 627 HG21 ILE 113 HG21 ILE 113 -5.582 -9.201 -1.200 628 HG22 ILE 113 HG22 ILE 113 -7.298 -8.907 -0.913 629 HG23 ILE 113 HG23 ILE 113 -6.772 -9.682 -2.408 630 HD11 ILE 113 HD11 ILE 113 -6.865 -7.597 0.375 631 HD12 ILE 113 HD12 ILE 113 -6.812 -5.848 0.621 632 HD13 ILE 113 HD13 ILE 113 -8.072 -6.557 -0.389 633 H VAL 114 H VAL 114 -3.465 -9.355 -3.635 634 HA VAL 114 HA VAL 114 -5.285 -11.206 -4.932 635 HB VAL 114 HB VAL 114 -3.195 -11.794 -6.443 636 HG11 VAL 114 HG11 VAL 114 -5.374 -11.102 -7.294 637 HG12 VAL 114 HG12 VAL 114 -4.976 -9.413 -6.971 638 HG13 VAL 114 HG13 VAL 114 -4.076 -10.313 -8.192 639 HG21 VAL 114 HG21 VAL 114 -2.770 -8.859 -5.855 640 HG22 VAL 114 HG22 VAL 114 -1.695 -10.174 -5.383 641 HG23 VAL 114 HG23 VAL 114 -1.929 -9.798 -7.089 642 H LYS 115 H LYS 115 -5.325 -12.842 -3.576 643 HA LYS 115 HA LYS 115 -3.355 -13.424 -1.711 644 HB2 LYS 115 HB2 LYS 115 -4.521 -15.441 -1.188 645 HB3 LYS 115 HB3 LYS 115 -5.712 -14.198 -1.528 646 HG2 LYS 115 HG2 LYS 115 -6.504 -15.265 -3.352 647 HG3 LYS 115 HG3 LYS 115 -4.923 -15.915 -3.797 648 HD2 LYS 115 HD2 LYS 115 -6.608 -16.897 -1.487 649 HD3 LYS 115 HD3 LYS 115 -6.518 -17.670 -3.074 650 HE2 LYS 115 HE2 LYS 115 -4.125 -18.026 -2.778 651 HE3 LYS 115 HE3 LYS 115 -4.185 -17.216 -1.215 652 HZ1 LYS 115 HZ1 LYS 115 -4.180 -19.685 -1.123 653 HZ2 LYS 115 HZ2 LYS 115 -5.717 -19.682 -1.840 654 HZ3 LYS 115 HZ3 LYS 115 -5.484 -18.968 -0.317 655 H THR 116 H THR 116 -1.827 -14.928 -1.556 656 HA THR 116 HA THR 116 -0.063 -16.180 -2.185 657 HB THR 116 HB THR 116 -1.726 -16.777 -4.631 658 HG1 THR 116 HG1 THR 116 -1.688 -17.712 -2.055 659 HG21 THR 116 HG21 THR 116 0.655 -17.060 -5.045 660 HG22 THR 116 HG22 THR 116 -0.179 -18.616 -5.002 661 HG23 THR 116 HG23 THR 116 0.786 -18.089 -3.620 662 H ALA 117 H ALA 117 -1.162 -14.982 -5.341 663 HA ALA 117 HA ALA 117 0.817 -12.933 -5.485 664 HB1 ALA 117 HB1 ALA 117 2.273 -14.856 -5.868 665 HB2 ALA 117 HB2 ALA 117 1.231 -15.392 -7.186 666 HB3 ALA 117 HB3 ALA 117 2.126 -13.879 -7.328 667 H GLU 118 H GLU 118 -0.595 -15.116 -7.931 668 HA GLU 118 HA GLU 118 -2.543 -13.021 -8.536 669 HB2 GLU 118 HB2 GLU 118 -2.287 -13.329 -10.939 670 HB3 GLU 118 HB3 GLU 118 -0.777 -12.803 -10.220 671 HG2 GLU 118 HG2 GLU 118 -1.413 -15.646 -10.981 672 HG3 GLU 118 HG3 GLU 118 -0.520 -14.513 -11.988 673 H THR 119 H THR 119 -4.384 -14.000 -7.829 674 HA THR 119 HA THR 119 -5.393 -16.117 -9.379 675 HB THR 119 HB THR 119 -3.954 -17.514 -7.999 676 HG1 THR 119 HG1 THR 119 -5.678 -18.667 -8.578 677 HG21 THR 119 HG21 THR 119 -4.384 -17.826 -5.624 678 HG22 THR 119 HG22 THR 119 -5.620 -16.570 -5.669 679 HG23 THR 119 HG23 THR 119 -3.931 -16.154 -5.957 680 H VAL 120 H VAL 120 -5.840 -14.503 -6.232 681 HA VAL 120 HA VAL 120 -8.626 -15.016 -6.197 682 HB VAL 120 HB VAL 120 -7.324 -14.323 -4.169 683 HG11 VAL 120 HG11 VAL 120 -7.093 -11.925 -3.719 684 HG12 VAL 120 HG12 VAL 120 -6.102 -12.451 -5.081 685 HG13 VAL 120 HG13 VAL 120 -7.609 -11.579 -5.371 686 HG21 VAL 120 HG21 VAL 120 -9.753 -14.398 -4.148 687 HG22 VAL 120 HG22 VAL 120 -9.169 -13.050 -3.173 688 HG23 VAL 120 HG23 VAL 120 -9.828 -12.754 -4.783 689 H GLU 121 H GLU 121 -10.303 -14.036 -7.028 690 HA GLU 121 HA GLU 121 -10.021 -11.464 -8.409 691 HB2 GLU 121 HB2 GLU 121 -11.239 -13.982 -9.585 692 HB3 GLU 121 HB3 GLU 121 -11.357 -12.386 -10.306 693 HG2 GLU 121 HG2 GLU 121 -8.705 -13.674 -9.769 694 HG3 GLU 121 HG3 GLU 121 -9.622 -14.002 -11.239 695 H TRP 122 H TRP 122 -11.467 -10.226 -7.294 696 HA TRP 122 HA TRP 122 -13.854 -11.528 -6.253 697 HD1 TRP 122 HD1 TRP 122 -14.405 -7.090 -5.895 698 HE1 TRP 122 HE1 TRP 122 -12.697 -5.196 -6.255 699 HE3 TRP 122 HE3 TRP 122 -10.108 -9.776 -5.314 700 HZ2 TRP 122 HZ2 TRP 122 -9.879 -4.902 -6.285 701 HZ3 TRP 122 HZ3 TRP 122 -7.956 -8.631 -5.524 702 HH2 TRP 122 HH2 TRP 122 -7.840 -6.236 -5.993 703 HB2 TRP 122 HB2 TRP 122 -14.208 -9.517 -4.904 704 HB3 TRP 122 HB3 TRP 122 -12.603 -10.181 -4.650 Start of MODEL 5 1 HA MET 34 HA MET 34 4.013 10.679 -8.342 2 H1 MET 34 H1 MET 34 2.790 9.462 -10.748 3 H2 MET 34 H2 MET 34 4.319 9.123 -10.107 4 H3 MET 34 H3 MET 34 4.000 10.649 -10.765 5 HB2 MET 34 HB2 MET 34 1.945 11.905 -8.051 6 HB3 MET 34 HB3 MET 34 2.612 12.277 -9.634 7 HG2 MET 34 HG2 MET 34 1.027 10.767 -10.680 8 HG3 MET 34 HG3 MET 34 0.382 10.325 -9.101 9 HE1 MET 34 HE1 MET 34 0.718 13.145 -11.808 10 HE2 MET 34 HE2 MET 34 -0.017 14.522 -10.985 11 HE3 MET 34 HE3 MET 34 1.516 13.867 -10.410 12 H ALA 35 H ALA 35 2.431 10.323 -6.460 13 HA ALA 35 HA ALA 35 1.591 8.857 -4.957 14 HB1 ALA 35 HB1 ALA 35 -0.371 8.945 -6.432 15 HB2 ALA 35 HB2 ALA 35 0.272 7.589 -7.358 16 HB3 ALA 35 HB3 ALA 35 -0.191 7.365 -5.670 17 H GLU 36 H GLU 36 3.510 8.001 -4.343 18 HA GLU 36 HA GLU 36 5.062 6.128 -5.701 19 HB2 GLU 36 HB2 GLU 36 4.805 6.706 -2.750 20 HB3 GLU 36 HB3 GLU 36 6.102 5.752 -3.465 21 HG2 GLU 36 HG2 GLU 36 6.901 7.650 -4.690 22 HG3 GLU 36 HG3 GLU 36 5.506 8.608 -4.204 23 H CYS 37 H CYS 37 4.749 4.045 -6.128 24 HA CYS 37 HA CYS 37 2.733 2.575 -4.551 25 HG CYS 37 HG CYS 37 2.173 4.525 -6.818 26 HB2 CYS 37 HB2 CYS 37 3.747 1.721 -7.250 27 HB3 CYS 37 HB3 CYS 37 2.224 1.316 -6.465 28 H VAL 38 H VAL 38 3.243 0.589 -3.671 29 HA VAL 38 HA VAL 38 5.883 -0.521 -4.286 30 HB VAL 38 HB VAL 38 6.137 0.767 -2.205 31 HG11 VAL 38 HG11 VAL 38 3.873 0.677 -1.360 32 HG12 VAL 38 HG12 VAL 38 4.015 -1.062 -1.096 33 HG13 VAL 38 HG13 VAL 38 4.999 0.057 -0.153 34 HG21 VAL 38 HG21 VAL 38 7.098 -1.011 -0.824 35 HG22 VAL 38 HG22 VAL 38 6.251 -2.217 -1.795 36 HG23 VAL 38 HG23 VAL 38 7.502 -1.213 -2.531 37 H SER 39 H SER 39 5.910 -2.709 -4.468 38 HA SER 39 HA SER 39 3.352 -4.077 -4.083 39 HG SER 39 HG SER 39 3.396 -4.238 -6.829 40 HB2 SER 39 HB2 SER 39 5.812 -4.962 -5.612 41 HB3 SER 39 HB3 SER 39 4.249 -5.779 -5.591 42 H GLN 40 H GLN 40 3.119 -5.160 -2.261 43 HA GLN 40 HA GLN 40 5.203 -6.937 -1.330 44 HB2 GLN 40 HB2 GLN 40 4.569 -4.413 0.022 45 HB3 GLN 40 HB3 GLN 40 4.469 -5.820 1.071 46 HG2 GLN 40 HG2 GLN 40 6.865 -5.540 -0.659 47 HG3 GLN 40 HG3 GLN 40 6.715 -4.478 0.739 48 HE21 GLN 40 HE21 GLN 40 5.281 -6.456 2.325 49 HE22 GLN 40 HE22 GLN 40 6.458 -7.623 2.822 50 H ALA 41 H ALA 41 4.389 -8.381 0.364 51 HA ALA 41 HA ALA 41 1.459 -8.672 0.215 52 HB1 ALA 41 HB1 ALA 41 2.591 -10.277 -1.192 53 HB2 ALA 41 HB2 ALA 41 3.589 -10.796 0.166 54 HB3 ALA 41 HB3 ALA 41 1.852 -11.090 0.188 55 H ILE 42 H ILE 42 0.511 -9.869 2.041 56 HA ILE 42 HA ILE 42 2.004 -10.004 4.497 57 HB ILE 42 HB ILE 42 1.073 -8.322 5.762 58 HG12 ILE 42 HG12 ILE 42 -1.215 -8.079 3.800 59 HG13 ILE 42 HG13 ILE 42 -1.262 -8.959 5.318 60 HG21 ILE 42 HG21 ILE 42 0.938 -7.027 3.049 61 HG22 ILE 42 HG22 ILE 42 1.143 -6.213 4.599 62 HG23 ILE 42 HG23 ILE 42 2.409 -7.275 3.984 63 HD11 ILE 42 HD11 ILE 42 -0.810 -6.835 6.510 64 HD12 ILE 42 HD12 ILE 42 -0.943 -5.992 4.965 65 HD13 ILE 42 HD13 ILE 42 -2.338 -6.852 5.620 66 H ASP 43 H ASP 43 0.513 -10.636 6.331 67 HA ASP 43 HA ASP 43 -1.260 -12.737 5.597 68 HB2 ASP 43 HB2 ASP 43 -0.434 -11.381 8.125 69 HB3 ASP 43 HB3 ASP 43 -1.923 -12.316 8.150 70 H ILE 44 H ILE 44 -3.513 -12.713 5.312 71 HA ILE 44 HA ILE 44 -4.770 -10.084 5.459 72 HB ILE 44 HB ILE 44 -6.499 -10.903 4.133 73 HG12 ILE 44 HG12 ILE 44 -5.681 -13.770 4.484 74 HG13 ILE 44 HG13 ILE 44 -6.769 -12.987 5.628 75 HG21 ILE 44 HG21 ILE 44 -4.475 -10.765 2.847 76 HG22 ILE 44 HG22 ILE 44 -4.023 -12.406 3.319 77 HG23 ILE 44 HG23 ILE 44 -5.431 -12.140 2.290 78 HD11 ILE 44 HD11 ILE 44 -7.990 -14.198 3.921 79 HD12 ILE 44 HD12 ILE 44 -8.304 -12.462 3.828 80 HD13 ILE 44 HD13 ILE 44 -7.214 -13.228 2.670 81 H ASN 45 H ASN 45 -4.610 -13.075 7.130 82 HA ASN 45 HA ASN 45 -7.103 -12.674 8.572 83 HB2 ASN 45 HB2 ASN 45 -5.023 -14.619 9.519 84 HB3 ASN 45 HB3 ASN 45 -6.771 -14.800 9.441 85 HD21 ASN 45 HD21 ASN 45 -3.797 -15.029 7.718 86 HD22 ASN 45 HD22 ASN 45 -4.391 -15.932 6.371 87 H GLU 46 H GLU 46 -4.031 -11.470 8.601 88 HA GLU 46 HA GLU 46 -3.981 -10.926 11.479 89 HB2 GLU 46 HB2 GLU 46 -1.713 -11.203 9.496 90 HB3 GLU 46 HB3 GLU 46 -1.514 -10.656 11.155 91 HG2 GLU 46 HG2 GLU 46 -2.636 -13.338 10.377 92 HG3 GLU 46 HG3 GLU 46 -0.949 -13.041 10.800 93 HA PRO 47 HA PRO 47 -4.076 -6.560 11.182 94 HB2 PRO 47 HB2 PRO 47 -1.422 -5.720 11.453 95 HB3 PRO 47 HB3 PRO 47 -2.558 -6.021 12.771 96 HG2 PRO 47 HG2 PRO 47 -0.475 -7.827 11.606 97 HG3 PRO 47 HG3 PRO 47 -0.912 -7.574 13.308 98 HD2 PRO 47 HD2 PRO 47 -1.755 -9.729 12.068 99 HD3 PRO 47 HD3 PRO 47 -2.888 -8.830 13.096 100 H ILE 48 H ILE 48 -4.398 -5.319 9.421 101 HA ILE 48 HA ILE 48 -2.741 -5.681 7.071 102 HB ILE 48 HB ILE 48 -4.311 -4.485 5.864 103 HG12 ILE 48 HG12 ILE 48 -6.077 -3.116 7.452 104 HG13 ILE 48 HG13 ILE 48 -4.556 -2.852 8.296 105 HG21 ILE 48 HG21 ILE 48 -5.861 -5.552 8.201 106 HG22 ILE 48 HG22 ILE 48 -6.518 -5.191 6.603 107 HG23 ILE 48 HG23 ILE 48 -5.318 -6.471 6.799 108 HD11 ILE 48 HD11 ILE 48 -5.147 -2.222 5.428 109 HD12 ILE 48 HD12 ILE 48 -4.935 -1.074 6.751 110 HD13 ILE 48 HD13 ILE 48 -3.568 -2.048 6.200 111 H GLY 49 H GLY 49 -2.706 -3.725 9.817 112 HA2 GLY 49 HA2 GLY 49 -1.566 -1.406 8.522 113 HA3 GLY 49 HA3 GLY 49 -1.785 -1.630 10.250 114 H ASN 50 H ASN 50 -0.308 -4.366 9.037 115 HA ASN 50 HA ASN 50 2.167 -3.621 10.205 116 HB2 ASN 50 HB2 ASN 50 2.934 -5.869 9.560 117 HB3 ASN 50 HB3 ASN 50 1.370 -5.942 10.352 118 HD21 ASN 50 HD21 ASN 50 0.898 -7.943 9.471 119 HD22 ASN 50 HD22 ASN 50 0.492 -8.138 7.805 120 H LEU 51 H LEU 51 0.788 -2.876 7.335 121 HA LEU 51 HA LEU 51 2.884 -3.018 5.488 122 HG LEU 51 HG LEU 51 1.503 -2.826 3.349 123 HB2 LEU 51 HB2 LEU 51 0.421 -1.383 5.773 124 HB3 LEU 51 HB3 LEU 51 1.646 -0.798 4.666 125 HD11 LEU 51 HD11 LEU 51 -0.105 -4.574 3.853 126 HD12 LEU 51 HD12 LEU 51 1.074 -4.409 5.152 127 HD13 LEU 51 HD13 LEU 51 -0.549 -3.750 5.345 128 HD21 LEU 51 HD21 LEU 51 -1.285 -1.864 3.954 129 HD22 LEU 51 HD22 LEU 51 -0.119 -0.979 2.970 130 HD23 LEU 51 HD23 LEU 51 -0.691 -2.558 2.446 131 H LYS 52 H LYS 52 2.360 -0.978 8.215 132 HA LYS 52 HA LYS 52 4.198 1.087 7.450 133 HB2 LYS 52 HB2 LYS 52 3.030 0.295 10.126 134 HB3 LYS 52 HB3 LYS 52 4.132 1.647 9.922 135 HG2 LYS 52 HG2 LYS 52 2.523 2.741 8.418 136 HG3 LYS 52 HG3 LYS 52 1.428 1.365 8.629 137 HD2 LYS 52 HD2 LYS 52 1.207 1.822 10.978 138 HD3 LYS 52 HD3 LYS 52 2.440 3.082 10.889 139 HE2 LYS 52 HE2 LYS 52 1.021 4.426 9.477 140 HE3 LYS 52 HE3 LYS 52 -0.188 3.144 9.423 141 HZ1 LYS 52 HZ1 LYS 52 0.669 4.540 11.904 142 HZ2 LYS 52 HZ2 LYS 52 -0.600 3.421 11.757 143 HZ3 LYS 52 HZ3 LYS 52 -0.720 4.938 11.012 144 H LYS 53 H LYS 53 4.379 -2.067 8.776 145 HA LYS 53 HA LYS 53 7.063 -1.725 9.841 146 HB2 LYS 53 HB2 LYS 53 5.458 -4.276 9.675 147 HB3 LYS 53 HB3 LYS 53 6.832 -3.938 10.718 148 HG2 LYS 53 HG2 LYS 53 4.099 -2.685 10.904 149 HG3 LYS 53 HG3 LYS 53 4.770 -3.908 11.985 150 HD2 LYS 53 HD2 LYS 53 6.512 -2.339 12.680 151 HD3 LYS 53 HD3 LYS 53 5.856 -1.121 11.584 152 HE2 LYS 53 HE2 LYS 53 5.080 -0.650 13.803 153 HE3 LYS 53 HE3 LYS 53 3.719 -1.218 12.838 154 HZ1 LYS 53 HZ1 LYS 53 5.281 -2.880 14.745 155 HZ2 LYS 53 HZ2 LYS 53 3.928 -3.391 13.856 156 HZ3 LYS 53 HZ3 LYS 53 3.757 -2.204 15.053 157 H LEU 54 H LEU 54 5.400 -3.604 7.325 158 HA LEU 54 HA LEU 54 7.787 -4.894 6.437 159 HG LEU 54 HG LEU 54 6.701 -7.111 6.270 160 HB2 LEU 54 HB2 LEU 54 4.961 -4.781 5.449 161 HB3 LEU 54 HB3 LEU 54 6.212 -5.474 4.443 162 HD11 LEU 54 HD11 LEU 54 5.042 -7.438 8.016 163 HD12 LEU 54 HD12 LEU 54 5.793 -5.848 8.154 164 HD13 LEU 54 HD13 LEU 54 4.172 -6.002 7.474 165 HD21 LEU 54 HD21 LEU 54 3.903 -7.048 5.173 166 HD22 LEU 54 HD22 LEU 54 5.325 -7.726 4.382 167 HD23 LEU 54 HD23 LEU 54 4.695 -8.467 5.856 168 H LEU 55 H LEU 55 6.081 -1.980 5.516 169 HA LEU 55 HA LEU 55 7.645 -1.831 3.047 170 HG LEU 55 HG LEU 55 4.401 -1.007 1.685 171 HB2 LEU 55 HB2 LEU 55 5.229 -0.326 4.004 172 HB3 LEU 55 HB3 LEU 55 6.164 0.207 2.621 173 HD11 LEU 55 HD11 LEU 55 6.747 -2.870 1.941 174 HD12 LEU 55 HD12 LEU 55 5.441 -3.040 0.767 175 HD13 LEU 55 HD13 LEU 55 6.501 -1.633 0.709 176 HD21 LEU 55 HD21 LEU 55 3.680 -3.215 2.419 177 HD22 LEU 55 HD22 LEU 55 4.879 -3.187 3.710 178 HD23 LEU 55 HD23 LEU 55 3.541 -2.038 3.724 179 H GLU 56 H GLU 56 7.929 -0.844 6.194 180 HA GLU 56 HA GLU 56 8.993 1.684 6.101 181 HB2 GLU 56 HB2 GLU 56 8.617 0.146 8.110 182 HB3 GLU 56 HB3 GLU 56 10.186 -0.548 7.744 183 HG2 GLU 56 HG2 GLU 56 9.925 2.399 8.124 184 HG3 GLU 56 HG3 GLU 56 9.960 1.327 9.523 185 HA PRO 57 HA PRO 57 13.321 -0.096 4.790 186 HB2 PRO 57 HB2 PRO 57 13.296 -2.581 3.655 187 HB3 PRO 57 HB3 PRO 57 13.646 -2.292 5.365 188 HG2 PRO 57 HG2 PRO 57 11.109 -3.176 4.060 189 HG3 PRO 57 HG3 PRO 57 11.846 -3.741 5.570 190 HD2 PRO 57 HD2 PRO 57 9.776 -2.014 5.516 191 HD3 PRO 57 HD3 PRO 57 11.026 -1.959 6.775 192 H ARG 58 H ARG 58 10.417 -1.004 3.095 193 HA ARG 58 HA ARG 58 11.545 -1.054 0.479 194 HE ARG 58 HE ARG 58 10.780 -5.020 -0.323 195 HB2 ARG 58 HB2 ARG 58 8.832 -1.260 1.674 196 HB3 ARG 58 HB3 ARG 58 8.938 -0.856 -0.032 197 HG2 ARG 58 HG2 ARG 58 10.142 -3.283 1.297 198 HG3 ARG 58 HG3 ARG 58 8.676 -3.260 0.313 199 HD2 ARG 58 HD2 ARG 58 9.962 -2.533 -1.616 200 HD3 ARG 58 HD3 ARG 58 11.429 -2.485 -0.641 201 HH11 ARG 58 HH12 ARG 58 10.670 -3.079 -3.231 202 HH12 ARG 58 HH11 ARG 58 10.985 -4.411 -4.297 203 HH21 ARG 58 HH22 ARG 58 11.192 -6.785 -1.712 204 HH22 ARG 58 HH21 ARG 58 11.280 -6.523 -3.433 205 H LEU 59 H LEU 59 9.597 1.301 2.272 206 HA LEU 59 HA LEU 59 9.694 3.117 -0.014 207 HG LEU 59 HG LEU 59 7.286 1.579 1.193 208 HB2 LEU 59 HB2 LEU 59 8.261 3.362 2.630 209 HB3 LEU 59 HB3 LEU 59 8.114 4.482 1.292 210 HD11 LEU 59 HD11 LEU 59 5.628 4.076 1.516 211 HD12 LEU 59 HD12 LEU 59 4.995 2.453 1.247 212 HD13 LEU 59 HD13 LEU 59 5.876 2.820 2.729 213 HD21 LEU 59 HD21 LEU 59 6.835 3.853 -0.737 214 HD22 LEU 59 HD22 LEU 59 7.925 2.488 -0.979 215 HD23 LEU 59 HD23 LEU 59 6.185 2.220 -0.892 216 H GLN 60 H GLN 60 11.379 2.485 2.807 217 HA GLN 60 HA GLN 60 12.904 3.571 4.101 218 HB2 GLN 60 HB2 GLN 60 13.141 5.447 1.740 219 HB3 GLN 60 HB3 GLN 60 14.333 5.206 3.011 220 HG2 GLN 60 HG2 GLN 60 14.683 2.916 2.272 221 HG3 GLN 60 HG3 GLN 60 13.449 3.117 1.031 222 HE21 GLN 60 HE21 GLN 60 16.242 2.416 0.726 223 HE22 GLN 60 HE22 GLN 60 16.938 3.630 -0.292 224 H CYS 61 H CYS 61 10.098 4.350 4.038 225 HA CYS 61 HA CYS 61 10.196 7.201 4.764 226 HG CYS 61 HG CYS 61 9.756 6.307 1.857 227 HB2 CYS 61 HB2 CYS 61 7.850 5.449 3.996 228 HB3 CYS 61 HB3 CYS 61 7.729 7.146 4.452 229 H SER 62 H SER 62 9.074 7.930 6.641 230 HA SER 62 HA SER 62 9.113 5.983 8.798 231 HG SER 62 HG SER 62 10.713 8.078 8.176 232 HB2 SER 62 HB2 SER 62 8.481 8.944 8.877 233 HB3 SER 62 HB3 SER 62 8.829 7.908 10.260 234 H LEU 63 H LEU 63 7.382 4.697 8.462 235 HA LEU 63 HA LEU 63 4.824 5.696 7.600 236 HG LEU 63 HG LEU 63 4.904 2.222 6.370 237 HB2 LEU 63 HB2 LEU 63 5.530 2.994 8.748 238 HB3 LEU 63 HB3 LEU 63 3.970 3.417 8.085 239 HD11 LEU 63 HD11 LEU 63 5.621 3.726 4.587 240 HD12 LEU 63 HD12 LEU 63 4.199 4.324 5.447 241 HD13 LEU 63 HD13 LEU 63 5.783 5.028 5.768 242 HD21 LEU 63 HD21 LEU 63 7.562 3.531 6.837 243 HD22 LEU 63 HD22 LEU 63 7.075 1.941 7.436 244 HD23 LEU 63 HD23 LEU 63 7.199 2.231 5.703 245 H ASP 64 H ASP 64 3.801 7.033 8.973 246 HA ASP 64 HA ASP 64 3.203 6.110 11.649 247 HB2 ASP 64 HB2 ASP 64 5.455 7.236 11.787 248 HB3 ASP 64 HB3 ASP 64 4.665 8.734 11.311 249 H ALA 65 H ALA 65 3.269 9.398 10.231 250 HA ALA 65 HA ALA 65 0.672 10.028 11.042 251 HB1 ALA 65 HB1 ALA 65 0.891 11.991 9.624 252 HB2 ALA 65 HB2 ALA 65 2.384 11.700 10.515 253 HB3 ALA 65 HB3 ALA 65 2.278 11.268 8.810 254 H HIS 66 H HIS 66 1.858 8.479 8.154 255 HA HIS 66 HA HIS 66 -0.689 8.704 6.847 256 HD2 HIS 66 HD2 HIS 66 2.936 6.439 4.128 257 HE1 HIS 66 HE1 HIS 66 5.258 8.321 7.115 258 HE2 HIS 66 HE2 HIS 66 5.313 7.121 4.890 259 HB2 HIS 66 HB2 HIS 66 0.538 6.928 5.275 260 HB3 HIS 66 HB3 HIS 66 0.714 8.666 5.097 261 H GLU 67 H GLU 67 -2.293 7.561 7.133 262 HA GLU 67 HA GLU 67 -2.267 5.138 8.698 263 HB2 GLU 67 HB2 GLU 67 -4.710 5.242 8.400 264 HB3 GLU 67 HB3 GLU 67 -4.065 6.787 8.940 265 HG2 GLU 67 HG2 GLU 67 -4.111 7.560 6.574 266 HG3 GLU 67 HG3 GLU 67 -4.920 6.053 6.150 267 H ILE 68 H ILE 68 -3.519 3.190 7.856 268 HA ILE 68 HA ILE 68 -2.646 2.630 5.119 269 HB ILE 68 HB ILE 68 -4.021 0.528 6.713 270 HG12 ILE 68 HG12 ILE 68 -2.419 1.647 8.313 271 HG13 ILE 68 HG13 ILE 68 -2.087 -0.052 8.000 272 HG21 ILE 68 HG21 ILE 68 -2.352 -0.879 5.590 273 HG22 ILE 68 HG22 ILE 68 -3.267 0.102 4.444 274 HG23 ILE 68 HG23 ILE 68 -1.621 0.564 4.885 275 HD11 ILE 68 HD11 ILE 68 -0.340 0.631 6.404 276 HD12 ILE 68 HD12 ILE 68 -0.637 2.311 6.844 277 HD13 ILE 68 HD13 ILE 68 -0.040 1.176 8.053 278 H CYS 69 H CYS 69 -4.128 1.700 3.581 279 HA CYS 69 HA CYS 69 -6.948 2.126 4.019 280 HG CYS 69 HG CYS 69 -6.136 4.409 5.252 281 HB2 CYS 69 HB2 CYS 69 -5.277 3.959 2.293 282 HB3 CYS 69 HB3 CYS 69 -7.021 3.792 2.094 283 H LEU 70 H LEU 70 -8.124 1.787 1.832 284 HA LEU 70 HA LEU 70 -6.602 0.036 0.053 285 HG LEU 70 HG LEU 70 -6.954 -2.137 -0.260 286 HB2 LEU 70 HB2 LEU 70 -7.836 -1.164 2.017 287 HB3 LEU 70 HB3 LEU 70 -9.272 -0.847 1.060 288 HD11 LEU 70 HD11 LEU 70 -8.896 -3.523 1.576 289 HD12 LEU 70 HD12 LEU 70 -7.760 -4.331 0.495 290 HD13 LEU 70 HD13 LEU 70 -7.161 -3.345 1.828 291 HD21 LEU 70 HD21 LEU 70 -8.736 -3.277 -1.491 292 HD22 LEU 70 HD22 LEU 70 -9.945 -2.493 -0.471 293 HD23 LEU 70 HD23 LEU 70 -8.941 -1.526 -1.552 294 H GLN 71 H GLN 71 -6.974 0.756 -1.934 295 HA GLN 71 HA GLN 71 -7.894 1.908 -3.665 296 HB2 GLN 71 HB2 GLN 71 -10.238 0.341 -2.605 297 HB3 GLN 71 HB3 GLN 71 -10.366 1.334 -4.053 298 HG2 GLN 71 HG2 GLN 71 -9.080 -0.056 -5.296 299 HG3 GLN 71 HG3 GLN 71 -8.103 -0.563 -3.921 300 HE21 GLN 71 HE21 GLN 71 -8.262 -2.708 -4.445 301 HE22 GLN 71 HE22 GLN 71 -9.710 -3.614 -4.216 302 H ASP 72 H ASP 72 -7.644 3.244 -1.191 303 HA ASP 72 HA ASP 72 -7.836 5.450 -0.674 304 HB2 ASP 72 HB2 ASP 72 -8.600 6.005 -2.941 305 HB3 ASP 72 HB3 ASP 72 -10.251 5.580 -2.492 306 H ILE 73 H ILE 73 -10.334 3.102 -0.305 307 HA ILE 73 HA ILE 73 -11.797 4.409 1.761 308 HB ILE 73 HB ILE 73 -11.156 1.489 1.945 309 HG12 ILE 73 HG12 ILE 73 -13.364 2.406 0.128 310 HG13 ILE 73 HG13 ILE 73 -11.737 2.112 -0.491 311 HG21 ILE 73 HG21 ILE 73 -13.648 3.102 2.453 312 HG22 ILE 73 HG22 ILE 73 -13.497 1.361 2.694 313 HG23 ILE 73 HG23 ILE 73 -12.528 2.474 3.662 314 HD11 ILE 73 HD11 ILE 73 -13.084 0.136 -0.775 315 HD12 ILE 73 HD12 ILE 73 -11.830 -0.166 0.436 316 HD13 ILE 73 HD13 ILE 73 -13.495 0.135 0.941 317 H GLN 74 H GLN 74 -11.387 4.254 4.040 318 HA GLN 74 HA GLN 74 -8.541 3.954 4.569 319 HB2 GLN 74 HB2 GLN 74 -9.926 4.835 6.893 320 HB3 GLN 74 HB3 GLN 74 -8.753 5.708 5.912 321 HG2 GLN 74 HG2 GLN 74 -11.710 5.593 5.345 322 HG3 GLN 74 HG3 GLN 74 -10.921 6.879 6.250 323 HE21 GLN 74 HE21 GLN 74 -8.536 6.815 4.456 324 HE22 GLN 74 HE22 GLN 74 -9.059 7.589 3.008 325 H LEU 75 H LEU 75 -7.730 2.572 6.040 326 HA LEU 75 HA LEU 75 -9.553 0.441 6.951 327 HG LEU 75 HG LEU 75 -8.553 0.116 4.320 328 HB2 LEU 75 HB2 LEU 75 -6.659 0.314 6.082 329 HB3 LEU 75 HB3 LEU 75 -7.478 -1.006 6.897 330 HD11 LEU 75 HD11 LEU 75 -6.566 -2.138 4.563 331 HD12 LEU 75 HD12 LEU 75 -7.336 -1.549 3.088 332 HD13 LEU 75 HD13 LEU 75 -6.192 -0.524 3.954 333 HD21 LEU 75 HD21 LEU 75 -10.002 -1.358 5.628 334 HD22 LEU 75 HD22 LEU 75 -9.507 -2.113 4.111 335 HD23 LEU 75 HD23 LEU 75 -8.744 -2.598 5.624 336 H ASP 76 H ASP 76 -8.351 -0.805 8.864 337 HA ASP 76 HA ASP 76 -7.211 1.194 10.672 338 HB2 ASP 76 HB2 ASP 76 -9.599 0.787 11.238 339 HB3 ASP 76 HB3 ASP 76 -9.245 -0.927 11.418 340 HA PRO 77 HA PRO 77 -3.719 -1.656 9.932 341 HB2 PRO 77 HB2 PRO 77 -3.199 -0.045 12.396 342 HB3 PRO 77 HB3 PRO 77 -2.130 -0.399 11.035 343 HG2 PRO 77 HG2 PRO 77 -3.607 1.931 11.349 344 HG3 PRO 77 HG3 PRO 77 -2.915 1.351 9.828 345 HD2 PRO 77 HD2 PRO 77 -5.674 1.615 10.466 346 HD3 PRO 77 HD3 PRO 77 -4.981 0.862 9.018 347 H ASP 78 H ASP 78 -5.562 -1.272 12.899 348 HA ASP 78 HA ASP 78 -4.179 -3.259 14.407 349 HB2 ASP 78 HB2 ASP 78 -6.845 -1.885 14.743 350 HB3 ASP 78 HB3 ASP 78 -6.130 -2.955 15.958 351 H ARG 79 H ARG 79 -6.576 -3.368 11.984 352 HA ARG 79 HA ARG 79 -7.599 -5.974 12.905 353 HE ARG 79 HE ARG 79 -10.090 -1.435 13.854 354 HB2 ARG 79 HB2 ARG 79 -8.872 -4.063 10.935 355 HB3 ARG 79 HB3 ARG 79 -9.622 -5.454 11.712 356 HG2 ARG 79 HG2 ARG 79 -9.631 -4.361 13.829 357 HG3 ARG 79 HG3 ARG 79 -8.634 -3.042 13.214 358 HD2 ARG 79 HD2 ARG 79 -10.554 -2.635 11.561 359 HD3 ARG 79 HD3 ARG 79 -11.514 -3.659 12.632 360 HH11 ARG 79 HH12 ARG 79 -13.132 -2.688 12.628 361 HH12 ARG 79 HH11 ARG 79 -14.091 -1.481 13.436 362 HH21 ARG 79 HH22 ARG 79 -11.340 0.152 14.898 363 HH22 ARG 79 HH21 ARG 79 -13.072 0.144 14.722 364 H SER 80 H SER 80 -8.116 -7.528 11.098 365 HA SER 80 HA SER 80 -5.947 -7.570 9.185 366 HG SER 80 HG SER 80 -6.297 -10.441 11.151 367 HB2 SER 80 HB2 SER 80 -8.065 -9.666 9.604 368 HB3 SER 80 HB3 SER 80 -6.399 -9.879 9.066 369 H LEU 81 H LEU 81 -6.439 -8.453 6.909 370 HA LEU 81 HA LEU 81 -8.486 -7.171 5.490 371 HG LEU 81 HG LEU 81 -7.381 -7.100 3.247 372 HB2 LEU 81 HB2 LEU 81 -6.768 -9.529 4.927 373 HB3 LEU 81 HB3 LEU 81 -8.203 -9.344 3.945 374 HD11 LEU 81 HD11 LEU 81 -5.950 -6.600 5.152 375 HD12 LEU 81 HD12 LEU 81 -4.860 -7.903 4.685 376 HD13 LEU 81 HD13 LEU 81 -5.062 -6.500 3.634 377 HD21 LEU 81 HD21 LEU 81 -7.009 -9.022 1.833 378 HD22 LEU 81 HD22 LEU 81 -5.604 -7.962 1.774 379 HD23 LEU 81 HD23 LEU 81 -5.553 -9.438 2.734 380 H PHE 82 H PHE 82 -8.421 -10.366 7.002 381 HA PHE 82 HA PHE 82 -11.054 -11.123 6.414 382 HD1 PHE 82 HD1 PHE 82 -10.332 -12.379 5.393 383 HD2 PHE 82 HD2 PHE 82 -9.565 -14.530 8.981 384 HE1 PHE 82 HE1 PHE 82 -10.238 -14.480 4.117 385 HE2 PHE 82 HE2 PHE 82 -9.458 -16.630 7.706 386 HZ PHE 82 HZ PHE 82 -9.798 -16.605 5.270 387 HB2 PHE 82 HB2 PHE 82 -9.078 -11.872 8.508 388 HB3 PHE 82 HB3 PHE 82 -10.764 -12.217 8.870 389 H ASP 83 H ASP 83 -9.908 -8.650 8.467 390 HA ASP 83 HA ASP 83 -12.575 -8.359 9.669 391 HB2 ASP 83 HB2 ASP 83 -10.307 -8.270 10.991 392 HB3 ASP 83 HB3 ASP 83 -10.255 -6.610 10.404 393 H GLN 84 H GLN 84 -10.683 -7.211 7.141 394 HA GLN 84 HA GLN 84 -12.430 -4.896 6.709 395 HB2 GLN 84 HB2 GLN 84 -9.420 -4.826 6.841 396 HB3 GLN 84 HB3 GLN 84 -10.352 -3.595 6.018 397 HG2 GLN 84 HG2 GLN 84 -10.978 -2.599 7.918 398 HG3 GLN 84 HG3 GLN 84 -11.174 -4.128 8.783 399 HE21 GLN 84 HE21 GLN 84 -8.428 -4.971 8.114 400 HE22 GLN 84 HE22 GLN 84 -7.406 -4.023 9.129 401 H GLY 85 H GLY 85 -13.314 -6.168 4.967 402 HA2 GLY 85 HA2 GLY 85 -13.281 -5.651 2.590 403 HA3 GLY 85 HA3 GLY 85 -11.547 -5.914 2.624 404 H VAL 86 H VAL 86 -10.730 -8.027 2.471 405 HA VAL 86 HA VAL 86 -12.629 -9.696 1.025 406 HB VAL 86 HB VAL 86 -10.669 -10.885 0.188 407 HG11 VAL 86 HG11 VAL 86 -10.434 -7.892 -0.087 408 HG12 VAL 86 HG12 VAL 86 -9.716 -9.080 -1.173 409 HG13 VAL 86 HG13 VAL 86 -11.470 -8.946 -1.048 410 HG21 VAL 86 HG21 VAL 86 -9.184 -10.712 2.073 411 HG22 VAL 86 HG22 VAL 86 -8.401 -10.035 0.645 412 HG23 VAL 86 HG23 VAL 86 -9.079 -8.962 1.871 413 H LYS 87 H LYS 87 -12.794 -11.927 1.322 414 HA LYS 87 HA LYS 87 -11.503 -12.996 3.739 415 HB2 LYS 87 HB2 LYS 87 -14.215 -13.848 2.709 416 HB3 LYS 87 HB3 LYS 87 -13.436 -14.359 4.200 417 HG2 LYS 87 HG2 LYS 87 -14.360 -11.566 3.585 418 HG3 LYS 87 HG3 LYS 87 -15.223 -12.740 4.578 419 HD2 LYS 87 HD2 LYS 87 -13.601 -12.673 6.268 420 HD3 LYS 87 HD3 LYS 87 -12.396 -11.883 5.235 421 HE2 LYS 87 HE2 LYS 87 -13.218 -10.163 6.598 422 HE3 LYS 87 HE3 LYS 87 -14.095 -9.965 5.083 423 HZ1 LYS 87 HZ1 LYS 87 -15.566 -9.772 6.993 424 HZ2 LYS 87 HZ2 LYS 87 -15.138 -11.330 7.506 425 HZ3 LYS 87 HZ3 LYS 87 -15.984 -11.122 6.051 426 H THR 88 H THR 88 -9.871 -13.460 2.064 427 HA THR 88 HA THR 88 -10.551 -15.810 0.461 428 HB THR 88 HB THR 88 -9.550 -14.122 -0.888 429 HG1 THR 88 HG1 THR 88 -8.595 -16.454 -0.832 430 HG21 THR 88 HG21 THR 88 -7.297 -13.981 1.109 431 HG22 THR 88 HG22 THR 88 -8.516 -12.742 0.809 432 HG23 THR 88 HG23 THR 88 -7.339 -13.144 -0.442 433 H ASP 89 H ASP 89 -7.248 -15.855 0.898 434 HA ASP 89 HA ASP 89 -7.227 -16.932 3.550 435 HB2 ASP 89 HB2 ASP 89 -6.435 -19.205 2.853 436 HB3 ASP 89 HB3 ASP 89 -8.127 -18.881 2.497 437 H GLY 90 H GLY 90 -5.447 -16.205 4.385 438 HA2 GLY 90 HA2 GLY 90 -3.194 -16.686 4.843 439 HA3 GLY 90 HA3 GLY 90 -2.980 -17.176 3.173 440 H THR 91 H THR 91 -1.693 -15.930 2.096 441 HA THR 91 HA THR 91 -1.351 -13.134 2.927 442 HB THR 91 HB THR 91 0.546 -15.013 1.504 443 HG1 THR 91 HG1 THR 91 1.434 -13.956 3.842 444 HG21 THR 91 HG21 THR 91 2.218 -13.243 1.719 445 HG22 THR 91 HG22 THR 91 1.001 -12.166 2.404 446 HG23 THR 91 HG23 THR 91 0.857 -12.710 0.731 447 H VAL 92 H VAL 92 -2.140 -11.644 1.551 448 HA VAL 92 HA VAL 92 -2.373 -12.336 -1.296 449 HB VAL 92 HB VAL 92 -3.833 -10.442 -1.573 450 HG11 VAL 92 HG11 VAL 92 -4.539 -12.256 0.707 451 HG12 VAL 92 HG12 VAL 92 -5.698 -11.182 -0.079 452 HG13 VAL 92 HG13 VAL 92 -4.913 -12.463 -1.001 453 HG21 VAL 92 HG21 VAL 92 -2.857 -8.904 0.023 454 HG22 VAL 92 HG22 VAL 92 -4.578 -9.098 0.348 455 HG23 VAL 92 HG23 VAL 92 -3.393 -9.918 1.366 456 H GLN 93 H GLN 93 -1.862 -10.600 -2.837 457 HA GLN 93 HA GLN 93 0.591 -9.233 -2.011 458 HB2 GLN 93 HB2 GLN 93 0.363 -10.843 -4.077 459 HB3 GLN 93 HB3 GLN 93 -0.359 -9.443 -4.852 460 HG2 GLN 93 HG2 GLN 93 2.331 -9.311 -3.540 461 HG3 GLN 93 HG3 GLN 93 2.125 -9.859 -5.200 462 HE21 GLN 93 HE21 GLN 93 2.100 -7.170 -3.048 463 HE22 GLN 93 HE22 GLN 93 1.925 -5.938 -4.249 464 H LEU 94 H LEU 94 0.501 -7.157 -1.639 465 HA LEU 94 HA LEU 94 -1.984 -5.722 -2.276 466 HG LEU 94 HG LEU 94 -1.812 -5.213 1.347 467 HB2 LEU 94 HB2 LEU 94 0.172 -5.039 -0.276 468 HB3 LEU 94 HB3 LEU 94 -1.272 -4.091 -0.562 469 HD11 LEU 94 HD11 LEU 94 -2.806 -6.977 -0.860 470 HD12 LEU 94 HD12 LEU 94 -3.383 -7.034 0.806 471 HD13 LEU 94 HD13 LEU 94 -3.601 -5.575 -0.149 472 HD21 LEU 94 HD21 LEU 94 0.153 -6.601 1.519 473 HD22 LEU 94 HD22 LEU 94 -1.290 -7.568 1.816 474 HD23 LEU 94 HD23 LEU 94 -0.461 -7.676 0.263 475 H SER 95 H SER 95 -1.852 -4.538 -4.101 476 HA SER 95 HA SER 95 0.590 -3.072 -4.670 477 HG SER 95 HG SER 95 -1.206 -4.756 -6.968 478 HB2 SER 95 HB2 SER 95 -2.121 -3.102 -6.025 479 HB3 SER 95 HB3 SER 95 -0.781 -2.082 -6.550 480 H VAL 96 H VAL 96 0.549 -2.144 -2.572 481 HA VAL 96 HA VAL 96 -1.465 -0.130 -1.991 482 HB VAL 96 HB VAL 96 -0.969 -1.479 -0.144 483 HG11 VAL 96 HG11 VAL 96 1.112 -2.463 -0.881 484 HG12 VAL 96 HG12 VAL 96 1.962 -0.935 -0.646 485 HG13 VAL 96 HG13 VAL 96 1.316 -1.807 0.742 486 HG21 VAL 96 HG21 VAL 96 -1.168 0.890 0.399 487 HG22 VAL 96 HG22 VAL 96 -0.092 0.058 1.520 488 HG23 VAL 96 HG23 VAL 96 0.579 1.083 0.251 489 H GLN 97 H GLN 97 -1.267 1.957 -2.124 490 HA GLN 97 HA GLN 97 1.237 3.128 -3.147 491 HB2 GLN 97 HB2 GLN 97 -1.649 3.961 -3.411 492 HB3 GLN 97 HB3 GLN 97 -0.321 5.002 -3.870 493 HG2 GLN 97 HG2 GLN 97 0.385 3.033 -5.385 494 HG3 GLN 97 HG3 GLN 97 -1.272 2.477 -5.135 495 HE21 GLN 97 HE21 GLN 97 -3.004 3.852 -5.841 496 HE22 GLN 97 HE22 GLN 97 -2.745 4.991 -7.111 497 H VAL 98 H VAL 98 1.985 5.084 -2.268 498 HA VAL 98 HA VAL 98 0.777 5.857 0.267 499 HB VAL 98 HB VAL 98 2.761 6.712 0.933 500 HG11 VAL 98 HG11 VAL 98 4.649 5.345 0.186 501 HG12 VAL 98 HG12 VAL 98 3.192 4.403 0.497 502 HG13 VAL 98 HG13 VAL 98 3.666 4.772 -1.161 503 HG21 VAL 98 HG21 VAL 98 3.026 8.480 -0.627 504 HG22 VAL 98 HG22 VAL 98 4.551 7.601 -0.542 505 HG23 VAL 98 HG23 VAL 98 3.463 7.354 -1.908 506 H ILE 99 H ILE 99 -0.646 7.439 0.264 507 HA ILE 99 HA ILE 99 -0.676 9.286 -2.034 508 HB ILE 99 HB ILE 99 -2.969 8.689 -0.167 509 HG12 ILE 99 HG12 ILE 99 -2.486 7.559 -2.932 510 HG13 ILE 99 HG13 ILE 99 -2.376 6.651 -1.422 511 HG21 ILE 99 HG21 ILE 99 -4.325 9.724 -1.921 512 HG22 ILE 99 HG22 ILE 99 -3.107 10.836 -1.295 513 HG23 ILE 99 HG23 ILE 99 -2.866 10.047 -2.854 514 HD11 ILE 99 HD11 ILE 99 -4.498 6.264 -2.559 515 HD12 ILE 99 HD12 ILE 99 -4.738 7.050 -0.994 516 HD13 ILE 99 HD13 ILE 99 -4.855 7.991 -2.484 517 H SER 100 H SER 100 0.482 11.107 -1.282 518 HA SER 100 HA SER 100 -1.093 12.525 0.747 519 HG SER 100 HG SER 100 2.864 13.235 0.041 520 HB2 SER 100 HB2 SER 100 0.861 14.037 0.990 521 HB3 SER 100 HB3 SER 100 1.266 12.367 1.357 522 H TYR 101 H TYR 101 -2.726 13.244 -0.482 523 HA TYR 101 HA TYR 101 -2.237 14.281 -3.174 524 HD1 TYR 101 HD1 TYR 101 -2.840 14.137 -4.911 525 HD2 TYR 101 HD2 TYR 101 -5.660 11.385 -3.293 526 HE1 TYR 101 HE1 TYR 101 -2.985 13.002 -7.091 527 HE2 TYR 101 HE2 TYR 101 -5.802 10.247 -5.456 528 HH TYR 101 HH TYR 101 -3.615 10.655 -7.918 529 HB2 TYR 101 HB2 TYR 101 -4.345 12.810 -1.849 530 HB3 TYR 101 HB3 TYR 101 -4.998 14.264 -2.582 531 H GLN 102 H GLN 102 -1.866 16.460 -3.223 532 HA GLN 102 HA GLN 102 -2.080 18.699 -2.774 533 HB2 GLN 102 HB2 GLN 102 -4.416 19.527 -3.085 534 HB3 GLN 102 HB3 GLN 102 -3.829 18.473 -4.359 535 HG2 GLN 102 HG2 GLN 102 -5.092 16.614 -3.293 536 HG3 GLN 102 HG3 GLN 102 -5.765 17.787 -2.163 537 HE21 GLN 102 HE21 GLN 102 -7.860 17.451 -2.847 538 HE22 GLN 102 HE22 GLN 102 -8.440 17.986 -4.386 539 H GLY 103 H GLY 103 -1.598 17.549 -0.350 540 HA2 GLY 103 HA2 GLY 103 -1.614 18.289 1.846 541 HA3 GLY 103 HA3 GLY 103 -2.838 19.469 1.400 542 H MET 104 H MET 104 -3.308 16.110 0.679 543 HA MET 104 HA MET 104 -5.534 16.017 2.509 544 HB2 MET 104 HB2 MET 104 -4.566 14.210 0.329 545 HB3 MET 104 HB3 MET 104 -5.661 13.577 1.552 546 HG2 MET 104 HG2 MET 104 -6.178 15.914 -0.272 547 HG3 MET 104 HG3 MET 104 -6.897 14.308 -0.397 548 HE1 MET 104 HE1 MET 104 -9.101 14.144 2.832 549 HE2 MET 104 HE2 MET 104 -8.672 13.332 1.326 550 HE3 MET 104 HE3 MET 104 -7.459 13.547 2.587 551 H GLU 105 H GLU 105 -5.744 13.754 3.664 552 HA GLU 105 HA GLU 105 -3.515 13.590 5.474 553 HB2 GLU 105 HB2 GLU 105 -6.045 11.932 5.374 554 HB3 GLU 105 HB3 GLU 105 -4.923 12.050 6.724 555 HG2 GLU 105 HG2 GLU 105 -5.479 14.389 7.016 556 HG3 GLU 105 HG3 GLU 105 -6.559 14.321 5.624 557 HA PRO 106 HA PRO 106 -1.272 10.723 2.846 558 HB2 PRO 106 HB2 PRO 106 0.098 9.868 5.222 559 HB3 PRO 106 HB3 PRO 106 0.704 10.871 3.906 560 HG2 PRO 106 HG2 PRO 106 -0.351 11.661 6.527 561 HG3 PRO 106 HG3 PRO 106 0.703 12.551 5.429 562 HD2 PRO 106 HD2 PRO 106 -1.878 13.241 5.840 563 HD3 PRO 106 HD3 PRO 106 -1.071 13.470 4.277 564 H LYS 107 H LYS 107 -2.201 8.985 2.224 565 HA LYS 107 HA LYS 107 -3.014 6.916 4.182 566 HB2 LYS 107 HB2 LYS 107 -4.213 7.705 1.534 567 HB3 LYS 107 HB3 LYS 107 -4.567 6.170 2.305 568 HG2 LYS 107 HG2 LYS 107 -5.625 7.243 4.133 569 HG3 LYS 107 HG3 LYS 107 -5.090 8.834 3.595 570 HD2 LYS 107 HD2 LYS 107 -6.878 7.002 2.013 571 HD3 LYS 107 HD3 LYS 107 -7.463 8.329 3.029 572 HE2 LYS 107 HE2 LYS 107 -5.864 9.788 1.615 573 HE3 LYS 107 HE3 LYS 107 -5.881 8.429 0.488 574 HZ1 LYS 107 HZ1 LYS 107 -8.299 9.872 1.448 575 HZ2 LYS 107 HZ2 LYS 107 -8.258 8.638 0.280 576 HZ3 LYS 107 HZ3 LYS 107 -7.538 10.134 -0.046 577 H LEU 108 H LEU 108 -2.080 4.922 3.904 578 HA LEU 108 HA LEU 108 -0.770 4.382 1.325 579 HG LEU 108 HG LEU 108 1.882 3.188 3.004 580 HB2 LEU 108 HB2 LEU 108 -0.743 2.890 3.959 581 HB3 LEU 108 HB3 LEU 108 -0.052 2.237 2.491 582 HD11 LEU 108 HD11 LEU 108 2.224 5.558 2.877 583 HD12 LEU 108 HD12 LEU 108 1.081 5.065 1.630 584 HD13 LEU 108 HD13 LEU 108 0.499 5.857 3.096 585 HD21 LEU 108 HD21 LEU 108 2.165 4.479 5.087 586 HD22 LEU 108 HD22 LEU 108 0.413 4.495 5.281 587 HD23 LEU 108 HD23 LEU 108 1.294 2.964 5.319 588 H ASN 109 H ASN 109 -2.345 3.779 -0.134 589 HA ASN 109 HA ASN 109 -4.510 2.075 0.897 590 HB2 ASN 109 HB2 ASN 109 -5.654 2.539 -1.257 591 HB3 ASN 109 HB3 ASN 109 -5.477 3.933 -0.219 592 HD21 ASN 109 HD21 ASN 109 -6.004 3.959 -2.996 593 HD22 ASN 109 HD22 ASN 109 -4.674 4.729 -3.783 594 H ILE 110 H ILE 110 -4.652 0.079 0.410 595 HA ILE 110 HA ILE 110 -2.998 -1.151 -1.588 596 HB ILE 110 HB ILE 110 -5.379 -2.278 -0.133 597 HG12 ILE 110 HG12 ILE 110 -2.450 -2.293 0.593 598 HG13 ILE 110 HG13 ILE 110 -3.706 -1.384 1.413 599 HG21 ILE 110 HG21 ILE 110 -4.511 -3.427 -2.214 600 HG22 ILE 110 HG22 ILE 110 -3.042 -3.755 -1.297 601 HG23 ILE 110 HG23 ILE 110 -4.588 -4.403 -0.749 602 HD11 ILE 110 HD11 ILE 110 -4.739 -3.404 2.184 603 HD12 ILE 110 HD12 ILE 110 -3.600 -4.381 1.258 604 HD13 ILE 110 HD13 ILE 110 -3.028 -3.408 2.615 605 H LEU 111 H LEU 111 -3.472 -1.103 -3.696 606 HA LEU 111 HA LEU 111 -6.208 -0.429 -4.456 607 HG LEU 111 HG LEU 111 -4.220 1.859 -6.577 608 HB2 LEU 111 HB2 LEU 111 -3.635 -0.505 -6.026 609 HB3 LEU 111 HB3 LEU 111 -5.196 -0.292 -6.791 610 HD11 LEU 111 HD11 LEU 111 -6.244 1.517 -4.372 611 HD12 LEU 111 HD12 LEU 111 -5.805 3.039 -5.148 612 HD13 LEU 111 HD13 LEU 111 -6.602 1.771 -6.081 613 HD21 LEU 111 HD21 LEU 111 -3.603 2.735 -4.292 614 HD22 LEU 111 HD22 LEU 111 -3.668 1.067 -3.736 615 HD23 LEU 111 HD23 LEU 111 -2.516 1.533 -4.988 616 H GLU 112 H GLU 112 -4.389 -3.201 -3.924 617 HA GLU 112 HA GLU 112 -6.035 -4.778 -5.699 618 HB2 GLU 112 HB2 GLU 112 -4.342 -4.065 -7.258 619 HB3 GLU 112 HB3 GLU 112 -3.062 -4.499 -6.136 620 HG2 GLU 112 HG2 GLU 112 -3.631 -6.841 -6.351 621 HG3 GLU 112 HG3 GLU 112 -4.967 -6.429 -7.431 622 H ILE 113 H ILE 113 -6.370 -6.704 -4.870 623 HA ILE 113 HA ILE 113 -4.463 -7.772 -2.916 624 HB ILE 113 HB ILE 113 -7.457 -7.587 -2.631 625 HG12 ILE 113 HG12 ILE 113 -5.140 -6.741 -0.890 626 HG13 ILE 113 HG13 ILE 113 -6.248 -5.680 -1.752 627 HG21 ILE 113 HG21 ILE 113 -7.278 -9.024 -0.666 628 HG22 ILE 113 HG22 ILE 113 -6.825 -9.874 -2.145 629 HG23 ILE 113 HG23 ILE 113 -5.577 -9.308 -1.036 630 HD11 ILE 113 HD11 ILE 113 -6.802 -5.763 0.588 631 HD12 ILE 113 HD12 ILE 113 -8.084 -6.519 -0.365 632 HD13 ILE 113 HD13 ILE 113 -6.926 -7.524 0.512 633 H VAL 114 H VAL 114 -3.661 -9.531 -3.909 634 HA VAL 114 HA VAL 114 -5.624 -11.469 -4.848 635 HB VAL 114 HB VAL 114 -3.953 -12.203 -6.609 636 HG11 VAL 114 HG11 VAL 114 -5.963 -10.930 -7.179 637 HG12 VAL 114 HG12 VAL 114 -5.087 -9.423 -6.910 638 HG13 VAL 114 HG13 VAL 114 -4.610 -10.497 -8.227 639 HG21 VAL 114 HG21 VAL 114 -2.720 -9.507 -6.032 640 HG22 VAL 114 HG22 VAL 114 -1.983 -11.069 -5.679 641 HG23 VAL 114 HG23 VAL 114 -2.279 -10.591 -7.351 642 H LYS 115 H LYS 115 -5.504 -13.129 -3.560 643 HA LYS 115 HA LYS 115 -3.532 -13.615 -1.705 644 HB2 LYS 115 HB2 LYS 115 -4.501 -15.808 -1.352 645 HB3 LYS 115 HB3 LYS 115 -5.772 -14.615 -1.568 646 HG2 LYS 115 HG2 LYS 115 -6.548 -15.590 -3.427 647 HG3 LYS 115 HG3 LYS 115 -4.932 -15.980 -4.023 648 HD2 LYS 115 HD2 LYS 115 -6.497 -17.468 -1.916 649 HD3 LYS 115 HD3 LYS 115 -6.124 -18.007 -3.551 650 HE2 LYS 115 HE2 LYS 115 -3.719 -17.938 -2.996 651 HE3 LYS 115 HE3 LYS 115 -4.144 -17.513 -1.339 652 HZ1 LYS 115 HZ1 LYS 115 -5.048 -19.993 -2.689 653 HZ2 LYS 115 HZ2 LYS 115 -5.204 -19.607 -1.040 654 HZ3 LYS 115 HZ3 LYS 115 -3.671 -19.906 -1.710 655 H THR 116 H THR 116 -1.593 -14.158 -1.880 656 HA THR 116 HA THR 116 0.359 -15.164 -2.426 657 HB THR 116 HB THR 116 -1.516 -17.062 -3.824 658 HG1 THR 116 HG1 THR 116 -1.093 -16.665 -1.319 659 HG21 THR 116 HG21 THR 116 0.372 -18.630 -3.876 660 HG22 THR 116 HG22 THR 116 1.436 -17.340 -3.314 661 HG23 THR 116 HG23 THR 116 0.642 -17.210 -4.887 662 H ALA 117 H ALA 117 -1.429 -15.819 -5.378 663 HA ALA 117 HA ALA 117 -0.210 -13.894 -7.034 664 HB1 ALA 117 HB1 ALA 117 1.813 -15.247 -6.669 665 HB2 ALA 117 HB2 ALA 117 0.951 -16.686 -7.210 666 HB3 ALA 117 HB3 ALA 117 1.263 -15.366 -8.339 667 H GLU 118 H GLU 118 -1.495 -17.118 -6.641 668 HA GLU 118 HA GLU 118 -3.108 -17.270 -8.928 669 HB2 GLU 118 HB2 GLU 118 -4.502 -18.801 -7.420 670 HB3 GLU 118 HB3 GLU 118 -2.819 -19.246 -7.663 671 HG2 GLU 118 HG2 GLU 118 -2.289 -18.128 -5.496 672 HG3 GLU 118 HG3 GLU 118 -4.019 -17.907 -5.252 673 H THR 119 H THR 119 -4.010 -15.329 -9.335 674 HA THR 119 HA THR 119 -4.937 -13.388 -7.736 675 HB THR 119 HB THR 119 -4.779 -13.049 -10.100 676 HG1 THR 119 HG1 THR 119 -6.553 -11.963 -8.724 677 HG21 THR 119 HG21 THR 119 -7.170 -14.874 -10.385 678 HG22 THR 119 HG22 THR 119 -5.517 -15.243 -10.883 679 HG23 THR 119 HG23 THR 119 -6.413 -13.953 -11.687 680 H VAL 120 H VAL 120 -6.194 -13.622 -5.964 681 HA VAL 120 HA VAL 120 -8.869 -14.729 -6.308 682 HB VAL 120 HB VAL 120 -7.670 -14.872 -4.087 683 HG11 VAL 120 HG11 VAL 120 -7.685 -12.902 -2.638 684 HG12 VAL 120 HG12 VAL 120 -6.675 -12.648 -4.061 685 HG13 VAL 120 HG13 VAL 120 -8.279 -11.920 -3.975 686 HG21 VAL 120 HG21 VAL 120 -10.341 -13.467 -4.133 687 HG22 VAL 120 HG22 VAL 120 -10.068 -15.207 -4.249 688 HG23 VAL 120 HG23 VAL 120 -9.673 -14.350 -2.760 689 H GLU 121 H GLU 121 -10.782 -13.335 -6.064 690 HA GLU 121 HA GLU 121 -10.273 -10.544 -6.801 691 HB2 GLU 121 HB2 GLU 121 -12.273 -12.341 -8.185 692 HB3 GLU 121 HB3 GLU 121 -11.960 -10.650 -8.552 693 HG2 GLU 121 HG2 GLU 121 -9.681 -11.229 -9.240 694 HG3 GLU 121 HG3 GLU 121 -10.016 -12.924 -8.891 695 H TRP 122 H TRP 122 -12.418 -9.311 -6.793 696 HA TRP 122 HA TRP 122 -13.709 -9.747 -4.263 697 HD1 TRP 122 HD1 TRP 122 -14.743 -6.236 -3.180 698 HE1 TRP 122 HE1 TRP 122 -12.715 -5.153 -2.019 699 HE3 TRP 122 HE3 TRP 122 -11.008 -8.287 -6.007 700 HZ2 TRP 122 HZ2 TRP 122 -9.907 -5.171 -2.281 701 HZ3 TRP 122 HZ3 TRP 122 -8.681 -7.702 -5.490 702 HH2 TRP 122 HH2 TRP 122 -8.141 -6.173 -3.663 703 HB2 TRP 122 HB2 TRP 122 -13.862 -7.642 -6.393 704 HB3 TRP 122 HB3 TRP 122 -15.130 -7.738 -5.180 Start of MODEL 6 1 HA MET 34 HA MET 34 3.644 11.354 -7.379 2 H1 MET 34 H1 MET 34 2.154 12.140 -9.145 3 H2 MET 34 H2 MET 34 0.869 11.299 -8.421 4 H3 MET 34 H3 MET 34 2.208 10.451 -9.019 5 HB2 MET 34 HB2 MET 34 2.904 12.939 -5.730 6 HB3 MET 34 HB3 MET 34 2.506 13.581 -7.316 7 HG2 MET 34 HG2 MET 34 0.185 12.782 -7.006 8 HG3 MET 34 HG3 MET 34 0.616 12.269 -5.376 9 HE1 MET 34 HE1 MET 34 1.604 14.059 -3.534 10 HE2 MET 34 HE2 MET 34 2.715 14.706 -4.743 11 HE3 MET 34 HE3 MET 34 1.664 15.796 -3.839 12 H ALA 35 H ALA 35 1.482 9.242 -7.847 13 HA ALA 35 HA ALA 35 0.886 8.483 -5.082 14 HB1 ALA 35 HB1 ALA 35 -0.101 7.339 -7.694 15 HB2 ALA 35 HB2 ALA 35 -0.627 6.846 -6.084 16 HB3 ALA 35 HB3 ALA 35 -0.973 8.474 -6.663 17 H GLU 36 H GLU 36 2.890 7.772 -4.429 18 HA GLU 36 HA GLU 36 4.582 6.114 -5.993 19 HB2 GLU 36 HB2 GLU 36 4.604 6.537 -3.005 20 HB3 GLU 36 HB3 GLU 36 5.944 5.964 -3.992 21 HG2 GLU 36 HG2 GLU 36 4.722 8.707 -3.929 22 HG3 GLU 36 HG3 GLU 36 6.361 8.238 -3.484 23 H CYS 37 H CYS 37 4.243 4.039 -6.446 24 HA CYS 37 HA CYS 37 2.523 2.471 -4.653 25 HG CYS 37 HG CYS 37 2.053 4.362 -7.298 26 HB2 CYS 37 HB2 CYS 37 3.431 1.691 -7.422 27 HB3 CYS 37 HB3 CYS 37 2.059 1.066 -6.513 28 H VAL 38 H VAL 38 3.227 0.664 -3.634 29 HA VAL 38 HA VAL 38 5.896 -0.368 -4.332 30 HB VAL 38 HB VAL 38 6.084 0.885 -2.217 31 HG11 VAL 38 HG11 VAL 38 3.993 -1.018 -1.187 32 HG12 VAL 38 HG12 VAL 38 4.913 0.124 -0.208 33 HG13 VAL 38 HG13 VAL 38 3.796 0.717 -1.440 34 HG21 VAL 38 HG21 VAL 38 7.493 -1.073 -2.546 35 HG22 VAL 38 HG22 VAL 38 7.067 -0.875 -0.845 36 HG23 VAL 38 HG23 VAL 38 6.253 -2.098 -1.823 37 H SER 39 H SER 39 6.118 -2.636 -4.244 38 HA SER 39 HA SER 39 3.563 -4.059 -4.081 39 HG SER 39 HG SER 39 6.944 -5.316 -5.177 40 HB2 SER 39 HB2 SER 39 4.850 -5.837 -5.378 41 HB3 SER 39 HB3 SER 39 4.533 -4.328 -6.233 42 H GLN 40 H GLN 40 3.239 -5.019 -2.196 43 HA GLN 40 HA GLN 40 5.291 -6.751 -1.096 44 HB2 GLN 40 HB2 GLN 40 4.461 -4.221 0.156 45 HB3 GLN 40 HB3 GLN 40 4.399 -5.617 1.223 46 HG2 GLN 40 HG2 GLN 40 6.840 -5.190 -0.411 47 HG3 GLN 40 HG3 GLN 40 6.565 -4.152 0.986 48 HE21 GLN 40 HE21 GLN 40 5.194 -6.237 2.492 49 HE22 GLN 40 HE22 GLN 40 6.428 -7.317 3.033 50 H ALA 41 H ALA 41 4.425 -8.197 0.542 51 HA ALA 41 HA ALA 41 1.509 -8.532 0.312 52 HB1 ALA 41 HB1 ALA 41 3.648 -10.647 0.398 53 HB2 ALA 41 HB2 ALA 41 1.910 -10.927 0.272 54 HB3 ALA 41 HB3 ALA 41 2.771 -10.121 -1.039 55 H ILE 42 H ILE 42 0.520 -9.730 2.124 56 HA ILE 42 HA ILE 42 1.954 -9.751 4.641 57 HB ILE 42 HB ILE 42 0.747 -8.171 5.841 58 HG12 ILE 42 HG12 ILE 42 -1.312 -8.227 3.626 59 HG13 ILE 42 HG13 ILE 42 -1.485 -8.861 5.250 60 HG21 ILE 42 HG21 ILE 42 0.818 -6.061 4.641 61 HG22 ILE 42 HG22 ILE 42 2.235 -7.043 4.275 62 HG23 ILE 42 HG23 ILE 42 0.921 -6.924 3.106 63 HD11 ILE 42 HD11 ILE 42 -1.213 -5.960 4.521 64 HD12 ILE 42 HD12 ILE 42 -2.696 -6.786 4.996 65 HD13 ILE 42 HD13 ILE 42 -1.380 -6.604 6.153 66 H ASP 43 H ASP 43 0.552 -10.548 6.406 67 HA ASP 43 HA ASP 43 -1.169 -12.683 5.677 68 HB2 ASP 43 HB2 ASP 43 -0.330 -11.337 8.205 69 HB3 ASP 43 HB3 ASP 43 -1.801 -12.304 8.242 70 H ILE 44 H ILE 44 -3.417 -12.716 5.391 71 HA ILE 44 HA ILE 44 -4.715 -10.112 5.515 72 HB ILE 44 HB ILE 44 -6.424 -10.991 4.201 73 HG12 ILE 44 HG12 ILE 44 -5.524 -13.814 4.673 74 HG13 ILE 44 HG13 ILE 44 -6.746 -13.025 5.667 75 HG21 ILE 44 HG21 ILE 44 -4.316 -10.831 2.991 76 HG22 ILE 44 HG22 ILE 44 -3.955 -12.507 3.409 77 HG23 ILE 44 HG23 ILE 44 -5.324 -12.137 2.363 78 HD11 ILE 44 HD11 ILE 44 -6.882 -13.414 2.697 79 HD12 ILE 44 HD12 ILE 44 -7.768 -14.335 3.914 80 HD13 ILE 44 HD13 ILE 44 -8.097 -12.613 3.701 81 H ASN 45 H ASN 45 -4.480 -13.041 7.244 82 HA ASN 45 HA ASN 45 -6.961 -12.627 8.692 83 HB2 ASN 45 HB2 ASN 45 -4.717 -14.604 9.240 84 HB3 ASN 45 HB3 ASN 45 -6.338 -14.637 9.917 85 HD21 ASN 45 HD21 ASN 45 -4.398 -15.245 7.127 86 HD22 ASN 45 HD22 ASN 45 -5.585 -16.153 6.253 87 H GLU 46 H GLU 46 -3.891 -11.353 8.708 88 HA GLU 46 HA GLU 46 -4.012 -10.698 11.549 89 HB2 GLU 46 HB2 GLU 46 -1.604 -11.359 9.848 90 HB3 GLU 46 HB3 GLU 46 -1.485 -10.610 11.436 91 HG2 GLU 46 HG2 GLU 46 -2.745 -12.568 12.353 92 HG3 GLU 46 HG3 GLU 46 -2.596 -13.321 10.769 93 HA PRO 47 HA PRO 47 -3.909 -6.445 11.138 94 HB2 PRO 47 HB2 PRO 47 -1.257 -5.567 11.317 95 HB3 PRO 47 HB3 PRO 47 -2.386 -5.802 12.655 96 HG2 PRO 47 HG2 PRO 47 -0.278 -7.632 11.599 97 HG3 PRO 47 HG3 PRO 47 -0.760 -7.326 13.276 98 HD2 PRO 47 HD2 PRO 47 -1.527 -9.537 12.069 99 HD3 PRO 47 HD3 PRO 47 -2.676 -8.649 13.085 100 H ILE 48 H ILE 48 -4.381 -5.365 9.344 101 HA ILE 48 HA ILE 48 -2.729 -5.546 6.985 102 HB ILE 48 HB ILE 48 -4.417 -4.506 5.818 103 HG12 ILE 48 HG12 ILE 48 -6.183 -3.117 7.332 104 HG13 ILE 48 HG13 ILE 48 -4.695 -2.814 8.223 105 HG21 ILE 48 HG21 ILE 48 -5.302 -6.487 6.940 106 HG22 ILE 48 HG22 ILE 48 -5.907 -5.462 8.239 107 HG23 ILE 48 HG23 ILE 48 -6.551 -5.286 6.608 108 HD11 ILE 48 HD11 ILE 48 -3.650 -1.962 6.214 109 HD12 ILE 48 HD12 ILE 48 -5.126 -2.285 5.302 110 HD13 ILE 48 HD13 ILE 48 -5.132 -1.081 6.589 111 H GLY 49 H GLY 49 -2.973 -3.544 9.746 112 HA2 GLY 49 HA2 GLY 49 -1.757 -1.209 8.590 113 HA3 GLY 49 HA3 GLY 49 -1.979 -1.522 10.306 114 H ASN 50 H ASN 50 -0.589 -4.212 9.050 115 HA ASN 50 HA ASN 50 1.900 -3.796 10.265 116 HB2 ASN 50 HB2 ASN 50 0.422 -5.937 9.414 117 HB3 ASN 50 HB3 ASN 50 1.661 -5.868 8.171 118 HD21 ASN 50 HD21 ASN 50 1.149 -7.892 10.157 119 HD22 ASN 50 HD22 ASN 50 2.614 -8.035 11.083 120 H LEU 51 H LEU 51 0.612 -2.782 7.328 121 HA LEU 51 HA LEU 51 2.762 -3.004 5.557 122 HG LEU 51 HG LEU 51 1.484 -2.901 3.410 123 HB2 LEU 51 HB2 LEU 51 0.319 -1.329 5.714 124 HB3 LEU 51 HB3 LEU 51 1.589 -0.791 4.632 125 HD11 LEU 51 HD11 LEU 51 -0.732 -3.612 5.314 126 HD12 LEU 51 HD12 LEU 51 -0.254 -4.535 3.889 127 HD13 LEU 51 HD13 LEU 51 0.861 -4.365 5.245 128 HD21 LEU 51 HD21 LEU 51 -1.298 -1.813 3.753 129 HD22 LEU 51 HD22 LEU 51 -0.025 -0.996 2.843 130 HD23 LEU 51 HD23 LEU 51 -0.600 -2.576 2.324 131 H LYS 52 H LYS 52 2.257 -0.854 8.215 132 HA LYS 52 HA LYS 52 4.102 1.136 7.270 133 HB2 LYS 52 HB2 LYS 52 2.811 0.681 9.961 134 HB3 LYS 52 HB3 LYS 52 3.995 1.949 9.683 135 HG2 LYS 52 HG2 LYS 52 2.486 2.800 7.846 136 HG3 LYS 52 HG3 LYS 52 1.274 1.667 8.444 137 HD2 LYS 52 HD2 LYS 52 2.561 3.894 10.024 138 HD3 LYS 52 HD3 LYS 52 0.918 3.888 9.379 139 HE2 LYS 52 HE2 LYS 52 0.358 1.993 10.781 140 HE3 LYS 52 HE3 LYS 52 2.009 1.936 11.389 141 HZ1 LYS 52 HZ1 LYS 52 0.556 3.022 12.960 142 HZ2 LYS 52 HZ2 LYS 52 0.073 4.157 11.795 143 HZ3 LYS 52 HZ3 LYS 52 1.674 4.140 12.355 144 H LYS 53 H LYS 53 4.233 -1.851 8.942 145 HA LYS 53 HA LYS 53 6.948 -1.416 9.883 146 HB2 LYS 53 HB2 LYS 53 5.114 -3.811 10.113 147 HB3 LYS 53 HB3 LYS 53 6.711 -3.691 10.848 148 HG2 LYS 53 HG2 LYS 53 6.001 -1.855 12.212 149 HG3 LYS 53 HG3 LYS 53 4.435 -1.808 11.407 150 HD2 LYS 53 HD2 LYS 53 4.201 -2.894 13.545 151 HD3 LYS 53 HD3 LYS 53 3.971 -4.080 12.262 152 HE2 LYS 53 HE2 LYS 53 6.147 -4.986 12.606 153 HE3 LYS 53 HE3 LYS 53 6.587 -3.667 13.689 154 HZ1 LYS 53 HZ1 LYS 53 4.404 -5.597 14.258 155 HZ2 LYS 53 HZ2 LYS 53 5.074 -4.450 15.317 156 HZ3 LYS 53 HZ3 LYS 53 5.993 -5.783 14.822 157 H LEU 54 H LEU 54 5.218 -3.319 7.449 158 HA LEU 54 HA LEU 54 7.573 -4.750 6.655 159 HG LEU 54 HG LEU 54 6.594 -6.939 6.436 160 HB2 LEU 54 HB2 LEU 54 4.745 -4.662 5.733 161 HB3 LEU 54 HB3 LEU 54 5.954 -5.298 4.640 162 HD11 LEU 54 HD11 LEU 54 5.655 -5.728 8.343 163 HD12 LEU 54 HD12 LEU 54 4.031 -5.987 7.698 164 HD13 LEU 54 HD13 LEU 54 5.006 -7.364 8.217 165 HD21 LEU 54 HD21 LEU 54 3.750 -7.044 5.455 166 HD22 LEU 54 HD22 LEU 54 5.174 -7.525 4.531 167 HD23 LEU 54 HD23 LEU 54 4.724 -8.416 5.985 168 H LEU 55 H LEU 55 5.939 -1.848 5.577 169 HA LEU 55 HA LEU 55 7.465 -1.846 3.098 170 HG LEU 55 HG LEU 55 4.286 -0.653 1.856 171 HB2 LEU 55 HB2 LEU 55 5.241 -0.140 4.142 172 HB3 LEU 55 HB3 LEU 55 6.207 0.382 2.773 173 HD11 LEU 55 HD11 LEU 55 6.293 -1.266 0.700 174 HD12 LEU 55 HD12 LEU 55 6.592 -2.589 1.829 175 HD13 LEU 55 HD13 LEU 55 5.209 -2.660 0.735 176 HD21 LEU 55 HD21 LEU 55 3.548 -2.909 2.430 177 HD22 LEU 55 HD22 LEU 55 4.807 -3.012 3.661 178 HD23 LEU 55 HD23 LEU 55 3.499 -1.843 3.834 179 H GLU 56 H GLU 56 8.033 -0.905 6.220 180 HA GLU 56 HA GLU 56 9.434 1.446 6.124 181 HB2 GLU 56 HB2 GLU 56 9.972 -1.119 7.582 182 HB3 GLU 56 HB3 GLU 56 11.110 0.211 7.706 183 HG2 GLU 56 HG2 GLU 56 8.192 0.511 8.333 184 HG3 GLU 56 HG3 GLU 56 9.386 0.010 9.530 185 HA PRO 57 HA PRO 57 13.445 -0.705 4.439 186 HB2 PRO 57 HB2 PRO 57 13.134 -3.157 3.284 187 HB3 PRO 57 HB3 PRO 57 13.576 -2.935 4.984 188 HG2 PRO 57 HG2 PRO 57 10.895 -3.497 3.772 189 HG3 PRO 57 HG3 PRO 57 11.648 -4.222 5.209 190 HD2 PRO 57 HD2 PRO 57 9.794 -2.296 5.406 191 HD3 PRO 57 HD3 PRO 57 11.165 -2.386 6.533 192 H ARG 58 H ARG 58 10.370 -1.270 2.909 193 HA ARG 58 HA ARG 58 11.378 -1.515 0.246 194 HE ARG 58 HE ARG 58 9.350 -5.645 0.528 195 HB2 ARG 58 HB2 ARG 58 8.608 -1.109 1.358 196 HB3 ARG 58 HB3 ARG 58 8.942 -1.343 -0.347 197 HG2 ARG 58 HG2 ARG 58 9.523 -3.286 1.878 198 HG3 ARG 58 HG3 ARG 58 8.229 -3.418 0.687 199 HD2 ARG 58 HD2 ARG 58 9.867 -3.639 -1.094 200 HD3 ARG 58 HD3 ARG 58 11.180 -3.421 0.063 201 HH11 ARG 58 HH12 ARG 58 12.452 -4.543 -0.659 202 HH12 ARG 58 HH11 ARG 58 13.195 -6.111 -0.552 203 HH21 ARG 58 HH22 ARG 58 10.310 -7.711 0.637 204 HH22 ARG 58 HH21 ARG 58 11.971 -7.919 0.162 205 H LEU 59 H LEU 59 9.726 1.042 2.057 206 HA LEU 59 HA LEU 59 9.873 2.781 -0.286 207 HG LEU 59 HG LEU 59 7.392 1.513 0.978 208 HB2 LEU 59 HB2 LEU 59 8.560 3.186 2.405 209 HB3 LEU 59 HB3 LEU 59 8.487 4.322 1.072 210 HD11 LEU 59 HD11 LEU 59 5.990 4.152 1.384 211 HD12 LEU 59 HD12 LEU 59 5.189 2.609 1.082 212 HD13 LEU 59 HD13 LEU 59 6.128 2.840 2.557 213 HD21 LEU 59 HD21 LEU 59 6.300 2.279 -1.073 214 HD22 LEU 59 HD22 LEU 59 7.108 3.841 -0.922 215 HD23 LEU 59 HD23 LEU 59 8.057 2.381 -1.201 216 H GLN 60 H GLN 60 11.658 2.065 2.446 217 HA GLN 60 HA GLN 60 13.262 3.082 3.702 218 HB2 GLN 60 HB2 GLN 60 13.620 4.753 1.206 219 HB3 GLN 60 HB3 GLN 60 14.795 4.577 2.505 220 HG2 GLN 60 HG2 GLN 60 14.955 2.176 2.017 221 HG3 GLN 60 HG3 GLN 60 13.813 2.382 0.690 222 HE21 GLN 60 HE21 GLN 60 17.053 2.918 1.800 223 HE22 GLN 60 HE22 GLN 60 17.720 3.374 0.267 224 H CYS 61 H CYS 61 10.583 4.015 3.701 225 HA CYS 61 HA CYS 61 10.905 6.837 4.519 226 HG CYS 61 HG CYS 61 10.352 6.041 1.336 227 HB2 CYS 61 HB2 CYS 61 8.471 5.460 3.367 228 HB3 CYS 61 HB3 CYS 61 8.475 7.104 3.999 229 H SER 62 H SER 62 9.694 7.566 6.330 230 HA SER 62 HA SER 62 9.390 5.533 8.362 231 HG SER 62 HG SER 62 11.193 7.086 8.358 232 HB2 SER 62 HB2 SER 62 8.923 8.523 8.511 233 HB3 SER 62 HB3 SER 62 9.024 7.415 9.882 234 H LEU 63 H LEU 63 7.617 4.364 8.253 235 HA LEU 63 HA LEU 63 5.144 5.553 7.262 236 HG LEU 63 HG LEU 63 5.130 2.166 5.770 237 HB2 LEU 63 HB2 LEU 63 5.625 2.735 8.230 238 HB3 LEU 63 HB3 LEU 63 4.148 3.320 7.501 239 HD11 LEU 63 HD11 LEU 63 6.075 3.761 4.156 240 HD12 LEU 63 HD12 LEU 63 4.591 4.336 4.922 241 HD13 LEU 63 HD13 LEU 63 6.154 4.969 5.439 242 HD21 LEU 63 HD21 LEU 63 7.487 2.140 5.245 243 HD22 LEU 63 HD22 LEU 63 7.801 3.291 6.544 244 HD23 LEU 63 HD23 LEU 63 7.203 1.677 6.926 245 H ASP 64 H ASP 64 4.109 6.794 8.675 246 HA ASP 64 HA ASP 64 3.605 5.807 11.362 247 HB2 ASP 64 HB2 ASP 64 5.713 6.966 11.659 248 HB3 ASP 64 HB3 ASP 64 5.083 8.393 10.840 249 H ALA 65 H ALA 65 3.445 9.079 9.949 250 HA ALA 65 HA ALA 65 0.929 9.629 11.044 251 HB1 ALA 65 HB1 ALA 65 2.330 10.989 8.745 252 HB2 ALA 65 HB2 ALA 65 0.979 11.647 9.670 253 HB3 ALA 65 HB3 ALA 65 2.533 11.365 10.456 254 H HIS 66 H HIS 66 1.799 8.073 8.080 255 HA HIS 66 HA HIS 66 -0.831 8.533 6.961 256 HD2 HIS 66 HD2 HIS 66 2.690 7.834 3.539 257 HE1 HIS 66 HE1 HIS 66 4.968 6.924 6.971 258 HE2 HIS 66 HE2 HIS 66 5.070 7.681 4.561 259 HB2 HIS 66 HB2 HIS 66 0.197 6.911 5.114 260 HB3 HIS 66 HB3 HIS 66 0.448 8.643 5.121 261 H GLU 67 H GLU 67 -2.451 7.357 7.266 262 HA GLU 67 HA GLU 67 -2.225 4.816 8.631 263 HB2 GLU 67 HB2 GLU 67 -4.665 4.909 8.733 264 HB3 GLU 67 HB3 GLU 67 -3.964 6.421 9.287 265 HG2 GLU 67 HG2 GLU 67 -4.449 7.425 7.106 266 HG3 GLU 67 HG3 GLU 67 -5.179 5.906 6.584 267 H ILE 68 H ILE 68 -3.444 2.917 7.822 268 HA ILE 68 HA ILE 68 -2.730 2.520 5.043 269 HB ILE 68 HB ILE 68 -4.081 0.345 6.530 270 HG12 ILE 68 HG12 ILE 68 -2.576 1.432 8.229 271 HG13 ILE 68 HG13 ILE 68 -2.157 -0.232 7.845 272 HG21 ILE 68 HG21 ILE 68 -3.239 0.043 4.268 273 HG22 ILE 68 HG22 ILE 68 -1.620 0.505 4.796 274 HG23 ILE 68 HG23 ILE 68 -2.358 -0.977 5.405 275 HD11 ILE 68 HD11 ILE 68 -0.174 1.108 8.038 276 HD12 ILE 68 HD12 ILE 68 -0.377 0.584 6.368 277 HD13 ILE 68 HD13 ILE 68 -0.780 2.239 6.828 278 H CYS 69 H CYS 69 -4.189 1.630 3.488 279 HA CYS 69 HA CYS 69 -7.028 1.979 3.922 280 HG CYS 69 HG CYS 69 -6.156 4.273 5.180 281 HB2 CYS 69 HB2 CYS 69 -5.423 3.872 2.200 282 HB3 CYS 69 HB3 CYS 69 -7.169 3.681 2.052 283 H LEU 70 H LEU 70 -8.203 1.674 1.736 284 HA LEU 70 HA LEU 70 -6.659 -0.009 -0.099 285 HG LEU 70 HG LEU 70 -6.827 -2.222 -0.163 286 HB2 LEU 70 HB2 LEU 70 -8.053 -1.170 1.856 287 HB3 LEU 70 HB3 LEU 70 -9.361 -0.931 0.713 288 HD11 LEU 70 HD11 LEU 70 -7.501 -3.405 1.848 289 HD12 LEU 70 HD12 LEU 70 -9.143 -3.562 1.221 290 HD13 LEU 70 HD13 LEU 70 -7.811 -4.395 0.420 291 HD21 LEU 70 HD21 LEU 70 -8.339 -3.349 -1.729 292 HD22 LEU 70 HD22 LEU 70 -9.710 -2.505 -1.009 293 HD23 LEU 70 HD23 LEU 70 -8.463 -1.594 -1.860 294 H GLN 71 H GLN 71 -6.939 0.988 -2.008 295 HA GLN 71 HA GLN 71 -7.854 2.225 -3.687 296 HB2 GLN 71 HB2 GLN 71 -10.232 0.565 -2.841 297 HB3 GLN 71 HB3 GLN 71 -10.220 1.567 -4.288 298 HG2 GLN 71 HG2 GLN 71 -8.783 0.200 -5.402 299 HG3 GLN 71 HG3 GLN 71 -7.985 -0.342 -3.929 300 HE21 GLN 71 HE21 GLN 71 -8.087 -2.480 -4.523 301 HE22 GLN 71 HE22 GLN 71 -9.558 -3.384 -4.462 302 H ASP 72 H ASP 72 -7.792 3.246 -1.031 303 HA ASP 72 HA ASP 72 -8.093 5.264 -0.114 304 HB2 ASP 72 HB2 ASP 72 -8.477 6.171 -2.413 305 HB3 ASP 72 HB3 ASP 72 -10.206 5.908 -2.171 306 H ILE 73 H ILE 73 -10.314 2.782 -0.134 307 HA ILE 73 HA ILE 73 -11.997 3.894 1.898 308 HB ILE 73 HB ILE 73 -11.077 1.017 1.798 309 HG12 ILE 73 HG12 ILE 73 -13.497 1.998 0.300 310 HG13 ILE 73 HG13 ILE 73 -11.918 1.875 -0.475 311 HG21 ILE 73 HG21 ILE 73 -13.313 0.585 2.723 312 HG22 ILE 73 HG22 ILE 73 -12.359 1.665 3.741 313 HG23 ILE 73 HG23 ILE 73 -13.635 2.318 2.714 314 HD11 ILE 73 HD11 ILE 73 -13.202 -0.106 -0.931 315 HD12 ILE 73 HD12 ILE 73 -11.844 -0.516 0.125 316 HD13 ILE 73 HD13 ILE 73 -13.474 -0.370 0.792 317 H GLN 74 H GLN 74 -11.459 4.137 4.091 318 HA GLN 74 HA GLN 74 -8.613 3.796 4.600 319 HB2 GLN 74 HB2 GLN 74 -10.050 4.885 6.869 320 HB3 GLN 74 HB3 GLN 74 -8.714 5.577 5.944 321 HG2 GLN 74 HG2 GLN 74 -11.577 5.708 5.018 322 HG3 GLN 74 HG3 GLN 74 -10.858 6.915 6.069 323 HE21 GLN 74 HE21 GLN 74 -8.960 5.395 3.556 324 HE22 GLN 74 HE22 GLN 74 -8.902 6.765 2.511 325 H LEU 75 H LEU 75 -7.771 2.392 6.006 326 HA LEU 75 HA LEU 75 -9.609 0.232 6.826 327 HG LEU 75 HG LEU 75 -8.530 0.098 4.187 328 HB2 LEU 75 HB2 LEU 75 -6.707 0.190 5.997 329 HB3 LEU 75 HB3 LEU 75 -7.517 -1.190 6.714 330 HD11 LEU 75 HD11 LEU 75 -6.206 -0.613 3.811 331 HD12 LEU 75 HD12 LEU 75 -6.621 -2.229 4.388 332 HD13 LEU 75 HD13 LEU 75 -7.367 -1.599 2.918 333 HD21 LEU 75 HD21 LEU 75 -8.872 -2.623 5.432 334 HD22 LEU 75 HD22 LEU 75 -10.089 -1.344 5.346 335 HD23 LEU 75 HD23 LEU 75 -9.523 -2.127 3.864 336 H ASP 76 H ASP 76 -8.570 -1.147 8.688 337 HA ASP 76 HA ASP 76 -7.634 0.749 10.718 338 HB2 ASP 76 HB2 ASP 76 -9.474 -1.635 10.984 339 HB3 ASP 76 HB3 ASP 76 -8.657 -0.915 12.366 340 HA PRO 77 HA PRO 77 -3.894 -1.786 10.306 341 HB2 PRO 77 HB2 PRO 77 -3.370 -0.036 12.670 342 HB3 PRO 77 HB3 PRO 77 -2.326 -0.410 11.293 343 HG2 PRO 77 HG2 PRO 77 -3.579 1.935 11.449 344 HG3 PRO 77 HG3 PRO 77 -3.404 1.097 9.896 345 HD2 PRO 77 HD2 PRO 77 -5.806 1.392 11.630 346 HD3 PRO 77 HD3 PRO 77 -5.697 1.283 9.862 347 H ASP 78 H ASP 78 -5.948 -1.204 13.050 348 HA ASP 78 HA ASP 78 -4.820 -3.129 14.815 349 HB2 ASP 78 HB2 ASP 78 -7.536 -1.809 14.708 350 HB3 ASP 78 HB3 ASP 78 -6.978 -2.816 16.048 351 H ARG 79 H ARG 79 -6.760 -3.419 12.039 352 HA ARG 79 HA ARG 79 -7.758 -6.053 12.895 353 HE ARG 79 HE ARG 79 -12.021 -4.233 14.634 354 HB2 ARG 79 HB2 ARG 79 -9.078 -3.949 11.169 355 HB3 ARG 79 HB3 ARG 79 -9.655 -5.606 11.283 356 HG2 ARG 79 HG2 ARG 79 -10.057 -5.331 13.664 357 HG3 ARG 79 HG3 ARG 79 -9.422 -3.686 13.594 358 HD2 ARG 79 HD2 ARG 79 -11.213 -3.031 12.098 359 HD3 ARG 79 HD3 ARG 79 -11.823 -4.684 12.062 360 HH11 ARG 79 HH12 ARG 79 -12.692 -1.988 12.027 361 HH12 ARG 79 HH11 ARG 79 -13.925 -1.140 12.907 362 HH21 ARG 79 HH22 ARG 79 -13.665 -3.166 15.775 363 HH22 ARG 79 HH21 ARG 79 -14.520 -1.843 15.030 364 H SER 80 H SER 80 -8.192 -7.547 11.029 365 HA SER 80 HA SER 80 -5.937 -7.430 9.191 366 HG SER 80 HG SER 80 -6.231 -10.365 11.256 367 HB2 SER 80 HB2 SER 80 -7.847 -9.710 9.676 368 HB3 SER 80 HB3 SER 80 -6.187 -9.783 9.080 369 H LEU 81 H LEU 81 -6.402 -8.544 6.957 370 HA LEU 81 HA LEU 81 -8.403 -7.240 5.483 371 HG LEU 81 HG LEU 81 -7.233 -7.112 3.337 372 HB2 LEU 81 HB2 LEU 81 -6.661 -9.585 4.966 373 HB3 LEU 81 HB3 LEU 81 -8.066 -9.406 3.941 374 HD11 LEU 81 HD11 LEU 81 -4.899 -6.589 3.745 375 HD12 LEU 81 HD12 LEU 81 -5.797 -6.723 5.256 376 HD13 LEU 81 HD13 LEU 81 -4.739 -8.038 4.742 377 HD21 LEU 81 HD21 LEU 81 -5.434 -9.451 2.727 378 HD22 LEU 81 HD22 LEU 81 -6.890 -8.989 1.845 379 HD23 LEU 81 HD23 LEU 81 -5.476 -7.934 1.829 380 H PHE 82 H PHE 82 -8.435 -10.378 7.093 381 HA PHE 82 HA PHE 82 -11.056 -11.113 6.420 382 HD1 PHE 82 HD1 PHE 82 -9.177 -12.474 5.673 383 HD2 PHE 82 HD2 PHE 82 -10.997 -14.381 8.999 384 HE1 PHE 82 HE1 PHE 82 -9.139 -14.625 4.465 385 HE2 PHE 82 HE2 PHE 82 -10.951 -16.536 7.810 386 HZ PHE 82 HZ PHE 82 -10.025 -16.657 5.533 387 HB2 PHE 82 HB2 PHE 82 -9.207 -11.829 8.619 388 HB3 PHE 82 HB3 PHE 82 -10.907 -12.100 8.925 389 H ASP 83 H ASP 83 -9.955 -8.573 8.385 390 HA ASP 83 HA ASP 83 -12.664 -8.151 9.438 391 HB2 ASP 83 HB2 ASP 83 -10.022 -6.859 10.084 392 HB3 ASP 83 HB3 ASP 83 -11.555 -6.275 10.722 393 H GLN 84 H GLN 84 -10.638 -7.247 6.906 394 HA GLN 84 HA GLN 84 -12.354 -4.990 6.196 395 HB2 GLN 84 HB2 GLN 84 -9.422 -4.845 6.724 396 HB3 GLN 84 HB3 GLN 84 -10.114 -3.840 5.475 397 HG2 GLN 84 HG2 GLN 84 -10.403 -2.347 7.090 398 HG3 GLN 84 HG3 GLN 84 -11.786 -3.339 7.559 399 HE21 GLN 84 HE21 GLN 84 -8.461 -4.360 7.930 400 HE22 GLN 84 HE22 GLN 84 -8.432 -4.264 9.650 401 H GLY 85 H GLY 85 -13.114 -6.310 4.449 402 HA2 GLY 85 HA2 GLY 85 -12.867 -5.956 2.060 403 HA3 GLY 85 HA3 GLY 85 -11.146 -6.217 2.263 404 H VAL 86 H VAL 86 -10.375 -8.430 2.598 405 HA VAL 86 HA VAL 86 -12.108 -10.140 0.976 406 HB VAL 86 HB VAL 86 -10.126 -11.292 0.260 407 HG11 VAL 86 HG11 VAL 86 -9.753 -8.308 0.134 408 HG12 VAL 86 HG12 VAL 86 -8.959 -9.479 -0.917 409 HG13 VAL 86 HG13 VAL 86 -10.710 -9.292 -0.970 410 HG21 VAL 86 HG21 VAL 86 -8.818 -11.256 2.291 411 HG22 VAL 86 HG22 VAL 86 -7.872 -10.605 0.950 412 HG23 VAL 86 HG23 VAL 86 -8.590 -9.510 2.135 413 H LYS 87 H LYS 87 -12.480 -12.256 1.466 414 HA LYS 87 HA LYS 87 -11.372 -13.245 4.017 415 HB2 LYS 87 HB2 LYS 87 -14.076 -14.014 2.912 416 HB3 LYS 87 HB3 LYS 87 -13.412 -14.401 4.495 417 HG2 LYS 87 HG2 LYS 87 -14.120 -11.649 3.524 418 HG3 LYS 87 HG3 LYS 87 -15.107 -12.645 4.592 419 HD2 LYS 87 HD2 LYS 87 -13.569 -12.471 6.357 420 HD3 LYS 87 HD3 LYS 87 -12.262 -11.876 5.311 421 HE2 LYS 87 HE2 LYS 87 -13.140 -10.005 6.520 422 HE3 LYS 87 HE3 LYS 87 -13.705 -9.863 4.856 423 HZ1 LYS 87 HZ1 LYS 87 -15.824 -10.823 5.544 424 HZ2 LYS 87 HZ2 LYS 87 -15.486 -9.399 6.399 425 HZ3 LYS 87 HZ3 LYS 87 -15.281 -10.908 7.149 426 H THR 88 H THR 88 -9.694 -14.007 2.604 427 HA THR 88 HA THR 88 -10.524 -16.341 1.050 428 HB THR 88 HB THR 88 -9.768 -14.751 -0.502 429 HG1 THR 88 HG1 THR 88 -8.860 -16.507 -1.274 430 HG21 THR 88 HG21 THR 88 -8.625 -13.180 0.931 431 HG22 THR 88 HG22 THR 88 -7.553 -13.647 -0.389 432 HG23 THR 88 HG23 THR 88 -7.324 -14.334 1.218 433 H ASP 89 H ASP 89 -7.134 -15.892 1.334 434 HA ASP 89 HA ASP 89 -6.798 -17.178 3.835 435 HB2 ASP 89 HB2 ASP 89 -7.633 -19.146 2.775 436 HB3 ASP 89 HB3 ASP 89 -6.675 -18.860 1.327 437 H GLY 90 H GLY 90 -4.861 -16.842 4.576 438 HA2 GLY 90 HA2 GLY 90 -2.558 -16.959 4.636 439 HA3 GLY 90 HA3 GLY 90 -2.553 -17.254 2.908 440 H THR 91 H THR 91 -1.234 -15.873 2.075 441 HA THR 91 HA THR 91 -1.251 -13.077 2.992 442 HB THR 91 HB THR 91 0.913 -14.738 1.697 443 HG1 THR 91 HG1 THR 91 0.328 -14.943 4.042 444 HG21 THR 91 HG21 THR 91 1.099 -12.432 0.922 445 HG22 THR 91 HG22 THR 91 2.402 -12.818 2.048 446 HG23 THR 91 HG23 THR 91 1.028 -11.854 2.588 447 H VAL 92 H VAL 92 -2.058 -11.605 1.597 448 HA VAL 92 HA VAL 92 -2.234 -12.306 -1.252 449 HB VAL 92 HB VAL 92 -3.741 -10.458 -1.546 450 HG11 VAL 92 HG11 VAL 92 -4.397 -12.195 0.803 451 HG12 VAL 92 HG12 VAL 92 -5.570 -11.127 0.027 452 HG13 VAL 92 HG13 VAL 92 -4.825 -12.437 -0.888 453 HG21 VAL 92 HG21 VAL 92 -4.492 -9.078 0.350 454 HG22 VAL 92 HG22 VAL 92 -3.233 -9.810 1.349 455 HG23 VAL 92 HG23 VAL 92 -2.794 -8.833 -0.055 456 H GLN 93 H GLN 93 -1.739 -10.553 -2.808 457 HA GLN 93 HA GLN 93 0.706 -9.172 -1.964 458 HB2 GLN 93 HB2 GLN 93 0.553 -10.827 -3.973 459 HB3 GLN 93 HB3 GLN 93 -0.206 -9.485 -4.812 460 HG2 GLN 93 HG2 GLN 93 2.457 -9.187 -3.480 461 HG3 GLN 93 HG3 GLN 93 2.310 -9.857 -5.098 462 HE21 GLN 93 HE21 GLN 93 2.122 -7.036 -3.140 463 HE22 GLN 93 HE22 GLN 93 1.942 -5.892 -4.424 464 H LEU 94 H LEU 94 0.594 -7.091 -1.627 465 HA LEU 94 HA LEU 94 -1.872 -5.660 -2.367 466 HG LEU 94 HG LEU 94 -1.798 -5.157 1.280 467 HB2 LEU 94 HB2 LEU 94 0.200 -4.939 -0.297 468 HB3 LEU 94 HB3 LEU 94 -1.256 -4.030 -0.633 469 HD11 LEU 94 HD11 LEU 94 -2.759 -6.865 -0.976 470 HD12 LEU 94 HD12 LEU 94 -3.323 -7.026 0.690 471 HD13 LEU 94 HD13 LEU 94 -3.581 -5.523 -0.183 472 HD21 LEU 94 HD21 LEU 94 0.171 -6.546 1.465 473 HD22 LEU 94 HD22 LEU 94 -1.278 -7.509 1.748 474 HD23 LEU 94 HD23 LEU 94 -0.438 -7.616 0.202 475 H SER 95 H SER 95 -1.669 -4.478 -4.188 476 HA SER 95 HA SER 95 0.783 -2.980 -4.629 477 HG SER 95 HG SER 95 -0.948 -4.592 -7.213 478 HB2 SER 95 HB2 SER 95 -1.846 -3.014 -6.140 479 HB3 SER 95 HB3 SER 95 -0.440 -2.060 -6.614 480 H VAL 96 H VAL 96 0.603 -2.060 -2.550 481 HA VAL 96 HA VAL 96 -1.457 -0.073 -2.069 482 HB VAL 96 HB VAL 96 -0.991 -1.398 -0.193 483 HG11 VAL 96 HG11 VAL 96 1.258 -1.705 0.759 484 HG12 VAL 96 HG12 VAL 96 1.133 -2.329 -0.887 485 HG13 VAL 96 HG13 VAL 96 1.941 -0.791 -0.587 486 HG21 VAL 96 HG21 VAL 96 0.527 1.169 0.279 487 HG22 VAL 96 HG22 VAL 96 -1.230 1.004 0.296 488 HG23 VAL 96 HG23 VAL 96 -0.257 0.158 1.494 489 H GLN 97 H GLN 97 -1.313 1.992 -2.296 490 HA GLN 97 HA GLN 97 1.147 3.231 -3.294 491 HB2 GLN 97 HB2 GLN 97 -1.752 4.052 -3.274 492 HB3 GLN 97 HB3 GLN 97 -0.476 5.175 -3.691 493 HG2 GLN 97 HG2 GLN 97 0.152 3.797 -5.580 494 HG3 GLN 97 HG3 GLN 97 -1.069 2.607 -5.120 495 HE21 GLN 97 HE21 GLN 97 -1.790 5.932 -4.669 496 HE22 GLN 97 HE22 GLN 97 -2.886 6.102 -5.993 497 H VAL 98 H VAL 98 2.066 5.035 -2.294 498 HA VAL 98 HA VAL 98 0.977 5.758 0.299 499 HB VAL 98 HB VAL 98 3.010 6.437 0.912 500 HG11 VAL 98 HG11 VAL 98 4.876 5.317 -0.172 501 HG12 VAL 98 HG12 VAL 98 3.474 4.259 -0.005 502 HG13 VAL 98 HG13 VAL 98 3.852 4.981 -1.569 503 HG21 VAL 98 HG21 VAL 98 4.616 7.705 -0.438 504 HG22 VAL 98 HG22 VAL 98 3.534 7.560 -1.822 505 HG23 VAL 98 HG23 VAL 98 3.021 8.458 -0.394 506 H ILE 99 H ILE 99 -0.455 7.283 0.434 507 HA ILE 99 HA ILE 99 -0.664 9.209 -1.776 508 HB ILE 99 HB ILE 99 -2.797 8.151 0.085 509 HG12 ILE 99 HG12 ILE 99 -2.381 7.976 -2.908 510 HG13 ILE 99 HG13 ILE 99 -2.329 6.651 -1.750 511 HG21 ILE 99 HG21 ILE 99 -3.135 10.533 -0.233 512 HG22 ILE 99 HG22 ILE 99 -3.017 10.333 -1.982 513 HG23 ILE 99 HG23 ILE 99 -4.364 9.612 -1.099 514 HD11 ILE 99 HD11 ILE 99 -4.709 6.975 -1.284 515 HD12 ILE 99 HD12 ILE 99 -4.755 8.281 -2.471 516 HD13 ILE 99 HD13 ILE 99 -4.404 6.631 -2.991 517 H SER 100 H SER 100 0.547 10.981 -1.010 518 HA SER 100 HA SER 100 -1.256 12.433 0.797 519 HG SER 100 HG SER 100 1.926 12.350 -0.509 520 HB2 SER 100 HB2 SER 100 0.666 13.894 1.409 521 HB3 SER 100 HB3 SER 100 0.931 12.220 1.871 522 H TYR 101 H TYR 101 -2.595 13.119 -0.813 523 HA TYR 101 HA TYR 101 -1.528 13.890 -3.377 524 HD1 TYR 101 HD1 TYR 101 -1.766 12.857 -4.951 525 HD2 TYR 101 HD2 TYR 101 -5.318 11.456 -3.056 526 HE1 TYR 101 HE1 TYR 101 -1.620 10.754 -6.227 527 HE2 TYR 101 HE2 TYR 101 -5.172 9.360 -4.323 528 HH TYR 101 HH TYR 101 -4.180 8.529 -6.409 529 HB2 TYR 101 HB2 TYR 101 -4.283 13.443 -2.298 530 HB3 TYR 101 HB3 TYR 101 -4.079 14.345 -3.792 531 H GLN 102 H GLN 102 -0.357 15.772 -2.614 532 HA GLN 102 HA GLN 102 -0.099 18.033 -2.707 533 HB2 GLN 102 HB2 GLN 102 -1.643 17.608 -4.695 534 HB3 GLN 102 HB3 GLN 102 -2.967 18.120 -3.665 535 HG2 GLN 102 HG2 GLN 102 -0.677 19.960 -3.905 536 HG3 GLN 102 HG3 GLN 102 -1.678 19.731 -5.335 537 HE21 GLN 102 HE21 GLN 102 -4.058 19.207 -3.612 538 HE22 GLN 102 HE22 GLN 102 -4.565 20.768 -3.073 539 H GLY 103 H GLY 103 -0.071 17.726 -0.324 540 HA2 GLY 103 HA2 GLY 103 -0.611 18.467 1.780 541 HA3 GLY 103 HA3 GLY 103 -1.654 19.649 1.004 542 H MET 104 H MET 104 -2.023 16.193 0.613 543 HA MET 104 HA MET 104 -4.680 16.417 1.800 544 HB2 MET 104 HB2 MET 104 -3.598 14.926 -0.447 545 HB3 MET 104 HB3 MET 104 -4.488 13.887 0.660 546 HG2 MET 104 HG2 MET 104 -5.547 16.417 -0.578 547 HG3 MET 104 HG3 MET 104 -5.894 14.780 -1.136 548 HE1 MET 104 HE1 MET 104 -6.261 13.099 1.456 549 HE2 MET 104 HE2 MET 104 -7.981 13.288 1.793 550 HE3 MET 104 HE3 MET 104 -7.429 13.056 0.134 551 H GLU 105 H GLU 105 -5.383 14.161 2.749 552 HA GLU 105 HA GLU 105 -3.729 13.888 5.078 553 HB2 GLU 105 HB2 GLU 105 -6.265 14.009 5.031 554 HB3 GLU 105 HB3 GLU 105 -6.247 12.374 4.393 555 HG2 GLU 105 HG2 GLU 105 -5.269 11.526 6.389 556 HG3 GLU 105 HG3 GLU 105 -5.008 13.156 7.013 557 HA PRO 106 HA PRO 106 -1.241 10.749 3.097 558 HB2 PRO 106 HB2 PRO 106 -0.057 10.017 5.532 559 HB3 PRO 106 HB3 PRO 106 0.556 11.202 4.376 560 HG2 PRO 106 HG2 PRO 106 -1.000 11.621 6.866 561 HG3 PRO 106 HG3 PRO 106 0.262 12.629 6.153 562 HD2 PRO 106 HD2 PRO 106 -2.325 13.306 6.006 563 HD3 PRO 106 HD3 PRO 106 -1.210 13.626 4.666 564 H LYS 107 H LYS 107 -2.086 8.965 2.502 565 HA LYS 107 HA LYS 107 -2.841 6.910 4.497 566 HB2 LYS 107 HB2 LYS 107 -4.219 7.621 1.916 567 HB3 LYS 107 HB3 LYS 107 -4.491 6.109 2.768 568 HG2 LYS 107 HG2 LYS 107 -5.476 7.203 4.596 569 HG3 LYS 107 HG3 LYS 107 -4.922 8.782 4.044 570 HD2 LYS 107 HD2 LYS 107 -6.820 7.022 2.520 571 HD3 LYS 107 HD3 LYS 107 -7.340 8.333 3.594 572 HE2 LYS 107 HE2 LYS 107 -5.727 9.771 2.130 573 HE3 LYS 107 HE3 LYS 107 -5.908 8.446 0.974 574 HZ1 LYS 107 HZ1 LYS 107 -8.124 10.059 2.134 575 HZ2 LYS 107 HZ2 LYS 107 -8.303 8.775 1.035 576 HZ3 LYS 107 HZ3 LYS 107 -7.518 10.194 0.553 577 H LEU 108 H LEU 108 -2.060 4.843 4.031 578 HA LEU 108 HA LEU 108 -0.764 4.485 1.406 579 HG LEU 108 HG LEU 108 1.956 3.164 3.108 580 HB2 LEU 108 HB2 LEU 108 -0.636 2.805 3.919 581 HB3 LEU 108 HB3 LEU 108 0.043 2.303 2.390 582 HD11 LEU 108 HD11 LEU 108 1.423 4.928 1.580 583 HD12 LEU 108 HD12 LEU 108 0.546 5.799 2.839 584 HD13 LEU 108 HD13 LEU 108 2.291 5.582 2.969 585 HD21 LEU 108 HD21 LEU 108 1.179 3.090 5.387 586 HD22 LEU 108 HD22 LEU 108 2.183 4.514 5.121 587 HD23 LEU 108 HD23 LEU 108 0.429 4.677 5.207 588 H ASN 109 H ASN 109 -2.368 3.896 -0.050 589 HA ASN 109 HA ASN 109 -4.451 2.086 0.962 590 HB2 ASN 109 HB2 ASN 109 -5.657 2.603 -1.161 591 HB3 ASN 109 HB3 ASN 109 -5.503 3.944 -0.054 592 HD21 ASN 109 HD21 ASN 109 -6.037 4.017 -2.878 593 HD22 ASN 109 HD22 ASN 109 -4.744 4.881 -3.623 594 H ILE 110 H ILE 110 -4.471 0.082 0.434 595 HA ILE 110 HA ILE 110 -2.865 -1.034 -1.652 596 HB ILE 110 HB ILE 110 -5.242 -2.240 -0.247 597 HG12 ILE 110 HG12 ILE 110 -2.319 -2.427 0.504 598 HG13 ILE 110 HG13 ILE 110 -3.468 -1.355 1.291 599 HG21 ILE 110 HG21 ILE 110 -4.394 -4.330 -0.928 600 HG22 ILE 110 HG22 ILE 110 -4.399 -3.300 -2.350 601 HG23 ILE 110 HG23 ILE 110 -2.888 -3.616 -1.500 602 HD11 ILE 110 HD11 ILE 110 -4.758 -3.262 2.041 603 HD12 ILE 110 HD12 ILE 110 -3.630 -4.353 1.233 604 HD13 ILE 110 HD13 ILE 110 -3.081 -3.357 2.583 605 H LEU 111 H LEU 111 -3.378 -1.003 -3.765 606 HA LEU 111 HA LEU 111 -6.135 -0.321 -4.461 607 HG LEU 111 HG LEU 111 -4.243 2.018 -6.604 608 HB2 LEU 111 HB2 LEU 111 -3.579 -0.308 -6.053 609 HB3 LEU 111 HB3 LEU 111 -5.145 -0.173 -6.824 610 HD11 LEU 111 HD11 LEU 111 -5.935 3.132 -5.265 611 HD12 LEU 111 HD12 LEU 111 -6.638 1.801 -6.186 612 HD13 LEU 111 HD13 LEU 111 -6.319 1.608 -4.461 613 HD21 LEU 111 HD21 LEU 111 -3.625 2.971 -4.432 614 HD22 LEU 111 HD22 LEU 111 -3.876 1.394 -3.681 615 HD23 LEU 111 HD23 LEU 111 -2.603 1.605 -4.884 616 H GLU 112 H GLU 112 -4.283 -3.087 -4.004 617 HA GLU 112 HA GLU 112 -5.895 -4.650 -5.829 618 HB2 GLU 112 HB2 GLU 112 -4.196 -3.859 -7.342 619 HB3 GLU 112 HB3 GLU 112 -2.924 -4.286 -6.209 620 HG2 GLU 112 HG2 GLU 112 -3.351 -6.618 -6.520 621 HG3 GLU 112 HG3 GLU 112 -4.753 -6.266 -7.533 622 H ILE 113 H ILE 113 -6.334 -6.480 -4.879 623 HA ILE 113 HA ILE 113 -4.360 -7.636 -3.037 624 HB ILE 113 HB ILE 113 -7.360 -7.524 -2.678 625 HG12 ILE 113 HG12 ILE 113 -5.011 -6.568 -1.039 626 HG13 ILE 113 HG13 ILE 113 -6.247 -5.578 -1.803 627 HG21 ILE 113 HG21 ILE 113 -7.060 -8.974 -0.733 628 HG22 ILE 113 HG22 ILE 113 -6.621 -9.786 -2.236 629 HG23 ILE 113 HG23 ILE 113 -5.363 -9.184 -1.159 630 HD11 ILE 113 HD11 ILE 113 -6.580 -5.755 0.598 631 HD12 ILE 113 HD12 ILE 113 -7.916 -6.489 -0.290 632 HD13 ILE 113 HD13 ILE 113 -6.684 -7.511 0.453 633 H VAL 114 H VAL 114 -3.633 -9.474 -3.851 634 HA VAL 114 HA VAL 114 -5.614 -11.372 -4.841 635 HB VAL 114 HB VAL 114 -3.866 -12.218 -6.497 636 HG11 VAL 114 HG11 VAL 114 -4.462 -10.590 -8.226 637 HG12 VAL 114 HG12 VAL 114 -5.855 -11.015 -7.230 638 HG13 VAL 114 HG13 VAL 114 -5.028 -9.477 -6.982 639 HG21 VAL 114 HG21 VAL 114 -1.943 -11.017 -5.556 640 HG22 VAL 114 HG22 VAL 114 -2.176 -10.635 -7.264 641 HG23 VAL 114 HG23 VAL 114 -2.677 -9.483 -6.024 642 H LYS 115 H LYS 115 -5.570 -13.006 -3.460 643 HA LYS 115 HA LYS 115 -3.516 -13.462 -1.644 644 HB2 LYS 115 HB2 LYS 115 -4.633 -15.419 -0.936 645 HB3 LYS 115 HB3 LYS 115 -5.885 -14.289 -1.416 646 HG2 LYS 115 HG2 LYS 115 -6.674 -15.666 -2.974 647 HG3 LYS 115 HG3 LYS 115 -5.060 -16.061 -3.574 648 HD2 LYS 115 HD2 LYS 115 -6.388 -17.233 -1.126 649 HD3 LYS 115 HD3 LYS 115 -6.146 -18.042 -2.675 650 HE2 LYS 115 HE2 LYS 115 -3.764 -17.965 -2.414 651 HE3 LYS 115 HE3 LYS 115 -3.911 -16.983 -0.960 652 HZ1 LYS 115 HZ1 LYS 115 -5.027 -19.724 -1.178 653 HZ2 LYS 115 HZ2 LYS 115 -4.801 -18.804 0.229 654 HZ3 LYS 115 HZ3 LYS 115 -3.461 -19.410 -0.612 655 H THR 116 H THR 116 -1.602 -14.055 -1.974 656 HA THR 116 HA THR 116 0.263 -15.161 -2.645 657 HB THR 116 HB THR 116 -1.841 -17.055 -3.645 658 HG1 THR 116 HG1 THR 116 0.229 -17.337 -1.697 659 HG21 THR 116 HG21 THR 116 1.135 -17.399 -3.949 660 HG22 THR 116 HG22 THR 116 -0.040 -17.209 -5.255 661 HG23 THR 116 HG23 THR 116 -0.078 -18.647 -4.234 662 H ALA 117 H ALA 117 -1.996 -15.559 -5.338 663 HA ALA 117 HA ALA 117 -0.862 -13.803 -7.177 664 HB1 ALA 117 HB1 ALA 117 0.366 -15.329 -8.645 665 HB2 ALA 117 HB2 ALA 117 1.130 -15.259 -7.057 666 HB3 ALA 117 HB3 ALA 117 0.131 -16.645 -7.496 667 H GLU 118 H GLU 118 -2.333 -16.870 -6.476 668 HA GLU 118 HA GLU 118 -4.149 -16.960 -8.629 669 HB2 GLU 118 HB2 GLU 118 -5.484 -18.409 -6.984 670 HB3 GLU 118 HB3 GLU 118 -3.872 -18.967 -7.413 671 HG2 GLU 118 HG2 GLU 118 -3.034 -17.927 -5.307 672 HG3 GLU 118 HG3 GLU 118 -4.707 -17.596 -4.869 673 H THR 119 H THR 119 -5.216 -15.196 -9.054 674 HA THR 119 HA THR 119 -5.891 -13.061 -7.569 675 HB THR 119 HB THR 119 -6.213 -12.938 -9.903 676 HG1 THR 119 HG1 THR 119 -8.704 -12.757 -8.532 677 HG21 THR 119 HG21 THR 119 -7.941 -14.197 -11.114 678 HG22 THR 119 HG22 THR 119 -8.349 -15.055 -9.630 679 HG23 THR 119 HG23 THR 119 -6.759 -15.267 -10.362 680 H VAL 120 H VAL 120 -6.668 -13.270 -5.520 681 HA VAL 120 HA VAL 120 -9.031 -14.645 -4.809 682 HB VAL 120 HB VAL 120 -7.428 -13.792 -3.141 683 HG11 VAL 120 HG11 VAL 120 -8.494 -11.074 -3.886 684 HG12 VAL 120 HG12 VAL 120 -7.420 -11.421 -2.530 685 HG13 VAL 120 HG13 VAL 120 -6.862 -11.674 -4.185 686 HG21 VAL 120 HG21 VAL 120 -9.691 -14.302 -2.440 687 HG22 VAL 120 HG22 VAL 120 -9.050 -12.937 -1.524 688 HG23 VAL 120 HG23 VAL 120 -10.202 -12.663 -2.829 689 H GLU 121 H GLU 121 -11.141 -13.641 -4.257 690 HA GLU 121 HA GLU 121 -11.799 -11.373 -6.018 691 HB2 GLU 121 HB2 GLU 121 -13.432 -13.875 -5.552 692 HB3 GLU 121 HB3 GLU 121 -13.972 -12.477 -6.469 693 HG2 GLU 121 HG2 GLU 121 -12.248 -12.833 -8.113 694 HG3 GLU 121 HG3 GLU 121 -11.583 -14.166 -7.168 695 H TRP 122 H TRP 122 -11.147 -10.998 -3.393 696 HA TRP 122 HA TRP 122 -11.803 -10.050 -1.452 697 HD1 TRP 122 HD1 TRP 122 -13.666 -6.700 -0.853 698 HE1 TRP 122 HE1 TRP 122 -11.912 -4.913 -1.444 699 HE3 TRP 122 HE3 TRP 122 -11.162 -9.199 -4.550 700 HZ2 TRP 122 HZ2 TRP 122 -9.747 -4.609 -3.228 701 HZ3 TRP 122 HZ3 TRP 122 -9.259 -8.093 -5.641 702 HH2 TRP 122 HH2 TRP 122 -8.568 -5.842 -4.993 703 HB2 TRP 122 HB2 TRP 122 -13.907 -9.259 -3.381 704 HB3 TRP 122 HB3 TRP 122 -14.279 -9.020 -1.677 Start of MODEL 7 1 HA MET 34 HA MET 34 3.205 12.131 -6.750 2 H1 MET 34 H1 MET 34 4.268 11.367 -8.825 3 H2 MET 34 H2 MET 34 3.621 9.822 -8.553 4 H3 MET 34 H3 MET 34 4.723 10.485 -7.450 5 HB2 MET 34 HB2 MET 34 2.180 12.505 -8.980 6 HB3 MET 34 HB3 MET 34 1.315 10.986 -8.817 7 HG2 MET 34 HG2 MET 34 -0.252 12.615 -8.270 8 HG3 MET 34 HG3 MET 34 0.282 11.980 -6.717 9 HE1 MET 34 HE1 MET 34 2.350 14.859 -5.189 10 HE2 MET 34 HE2 MET 34 1.440 13.383 -4.866 11 HE3 MET 34 HE3 MET 34 2.876 13.329 -5.891 12 H ALA 35 H ALA 35 1.753 9.086 -7.905 13 HA ALA 35 HA ALA 35 1.090 8.427 -5.116 14 HB1 ALA 35 HB1 ALA 35 0.065 7.225 -7.692 15 HB2 ALA 35 HB2 ALA 35 -0.437 6.759 -6.066 16 HB3 ALA 35 HB3 ALA 35 -0.792 8.377 -6.669 17 H GLU 36 H GLU 36 2.932 7.541 -4.312 18 HA GLU 36 HA GLU 36 4.618 5.804 -5.841 19 HB2 GLU 36 HB2 GLU 36 4.541 6.514 -2.911 20 HB3 GLU 36 HB3 GLU 36 5.769 5.472 -3.622 21 HG2 GLU 36 HG2 GLU 36 5.249 8.347 -4.350 22 HG3 GLU 36 HG3 GLU 36 6.570 7.752 -3.344 23 H CYS 37 H CYS 37 3.916 3.825 -6.378 24 HA CYS 37 HA CYS 37 2.330 2.334 -4.409 25 HG CYS 37 HG CYS 37 4.149 2.372 -7.891 26 HB2 CYS 37 HB2 CYS 37 1.764 0.842 -6.342 27 HB3 CYS 37 HB3 CYS 37 1.207 2.501 -6.520 28 H VAL 38 H VAL 38 3.186 0.699 -3.348 29 HA VAL 38 HA VAL 38 5.742 -0.401 -4.323 30 HB VAL 38 HB VAL 38 5.999 0.835 -2.207 31 HG11 VAL 38 HG11 VAL 38 3.766 0.609 -1.321 32 HG12 VAL 38 HG12 VAL 38 4.000 -1.127 -1.105 33 HG13 VAL 38 HG13 VAL 38 4.946 0.016 -0.152 34 HG21 VAL 38 HG21 VAL 38 7.077 -0.926 -0.887 35 HG22 VAL 38 HG22 VAL 38 6.269 -2.149 -1.870 36 HG23 VAL 38 HG23 VAL 38 7.454 -1.068 -2.605 37 H SER 39 H SER 39 5.999 -2.627 -4.330 38 HA SER 39 HA SER 39 3.494 -4.109 -4.148 39 HG SER 39 HG SER 39 6.295 -3.480 -6.215 40 HB2 SER 39 HB2 SER 39 5.012 -5.861 -5.393 41 HB3 SER 39 HB3 SER 39 4.343 -4.484 -6.269 42 H GLN 40 H GLN 40 3.174 -4.998 -2.236 43 HA GLN 40 HA GLN 40 5.226 -6.717 -1.115 44 HB2 GLN 40 HB2 GLN 40 4.476 -4.147 0.056 45 HB3 GLN 40 HB3 GLN 40 4.280 -5.493 1.170 46 HG2 GLN 40 HG2 GLN 40 6.811 -5.225 -0.379 47 HG3 GLN 40 HG3 GLN 40 6.537 -4.203 1.028 48 HE21 GLN 40 HE21 GLN 40 5.011 -6.242 2.443 49 HE22 GLN 40 HE22 GLN 40 6.172 -7.395 3.009 50 H ALA 41 H ALA 41 4.389 -8.187 0.431 51 HA ALA 41 HA ALA 41 1.463 -8.508 0.284 52 HB1 ALA 41 HB1 ALA 41 1.895 -10.921 0.235 53 HB2 ALA 41 HB2 ALA 41 2.617 -10.082 -1.139 54 HB3 ALA 41 HB3 ALA 41 3.629 -10.595 0.209 55 H ILE 42 H ILE 42 0.553 -9.758 2.133 56 HA ILE 42 HA ILE 42 2.112 -9.808 4.559 57 HB ILE 42 HB ILE 42 1.132 -8.161 5.826 58 HG12 ILE 42 HG12 ILE 42 -1.230 -8.132 3.935 59 HG13 ILE 42 HG13 ILE 42 -1.178 -8.893 5.513 60 HG21 ILE 42 HG21 ILE 42 0.869 -6.945 3.085 61 HG22 ILE 42 HG22 ILE 42 1.016 -6.069 4.609 62 HG23 ILE 42 HG23 ILE 42 2.357 -7.054 4.026 63 HD11 ILE 42 HD11 ILE 42 -1.015 -5.951 4.938 64 HD12 ILE 42 HD12 ILE 42 -2.361 -6.820 5.673 65 HD13 ILE 42 HD13 ILE 42 -0.827 -6.678 6.536 66 H ASP 43 H ASP 43 0.712 -10.491 6.442 67 HA ASP 43 HA ASP 43 -0.989 -12.668 5.766 68 HB2 ASP 43 HB2 ASP 43 -0.270 -11.216 8.294 69 HB3 ASP 43 HB3 ASP 43 -1.531 -12.436 8.302 70 H ILE 44 H ILE 44 -3.235 -12.666 5.407 71 HA ILE 44 HA ILE 44 -4.536 -10.061 5.666 72 HB ILE 44 HB ILE 44 -6.209 -10.813 4.200 73 HG12 ILE 44 HG12 ILE 44 -5.149 -13.615 4.158 74 HG13 ILE 44 HG13 ILE 44 -6.348 -13.119 5.347 75 HG21 ILE 44 HG21 ILE 44 -3.632 -12.069 3.289 76 HG22 ILE 44 HG22 ILE 44 -4.966 -11.550 2.261 77 HG23 ILE 44 HG23 ILE 44 -4.033 -10.355 3.161 78 HD11 ILE 44 HD11 ILE 44 -6.651 -12.914 2.365 79 HD12 ILE 44 HD12 ILE 44 -7.390 -14.138 3.399 80 HD13 ILE 44 HD13 ILE 44 -7.854 -12.442 3.570 81 H ASN 45 H ASN 45 -4.364 -13.092 7.181 82 HA ASN 45 HA ASN 45 -6.906 -12.813 8.560 83 HB2 ASN 45 HB2 ASN 45 -4.770 -14.647 9.572 84 HB3 ASN 45 HB3 ASN 45 -6.500 -14.912 9.430 85 HD21 ASN 45 HD21 ASN 45 -3.478 -14.906 7.753 86 HD22 ASN 45 HD22 ASN 45 -3.962 -15.927 6.449 87 H GLU 46 H GLU 46 -3.920 -11.442 8.655 88 HA GLU 46 HA GLU 46 -3.968 -10.886 11.530 89 HB2 GLU 46 HB2 GLU 46 -1.651 -11.355 9.658 90 HB3 GLU 46 HB3 GLU 46 -1.448 -10.549 11.206 91 HG2 GLU 46 HG2 GLU 46 -2.515 -13.334 10.815 92 HG3 GLU 46 HG3 GLU 46 -0.877 -12.916 11.318 93 HA PRO 47 HA PRO 47 -4.195 -6.605 11.173 94 HB2 PRO 47 HB2 PRO 47 -1.701 -5.522 11.671 95 HB3 PRO 47 HB3 PRO 47 -2.830 -6.077 12.910 96 HG2 PRO 47 HG2 PRO 47 -0.535 -7.555 11.653 97 HG3 PRO 47 HG3 PRO 47 -0.964 -7.413 13.375 98 HD2 PRO 47 HD2 PRO 47 -1.610 -9.591 12.071 99 HD3 PRO 47 HD3 PRO 47 -2.819 -8.843 13.129 100 H ILE 48 H ILE 48 -4.503 -5.378 9.401 101 HA ILE 48 HA ILE 48 -2.743 -5.638 7.129 102 HB ILE 48 HB ILE 48 -4.288 -4.432 5.884 103 HG12 ILE 48 HG12 ILE 48 -6.158 -3.164 7.435 104 HG13 ILE 48 HG13 ILE 48 -4.681 -2.897 8.353 105 HG21 ILE 48 HG21 ILE 48 -6.495 -5.237 6.480 106 HG22 ILE 48 HG22 ILE 48 -5.273 -6.484 6.724 107 HG23 ILE 48 HG23 ILE 48 -5.927 -5.609 8.108 108 HD11 ILE 48 HD11 ILE 48 -3.619 -1.928 6.412 109 HD12 ILE 48 HD12 ILE 48 -5.071 -2.231 5.454 110 HD13 ILE 48 HD13 ILE 48 -5.123 -1.087 6.795 111 H GLY 49 H GLY 49 -2.823 -3.742 9.905 112 HA2 GLY 49 HA2 GLY 49 -1.749 -1.339 8.740 113 HA3 GLY 49 HA3 GLY 49 -1.929 -1.670 10.455 114 H ASN 50 H ASN 50 -0.375 -4.287 9.117 115 HA ASN 50 HA ASN 50 2.084 -3.509 10.300 116 HB2 ASN 50 HB2 ASN 50 2.904 -5.717 9.582 117 HB3 ASN 50 HB3 ASN 50 1.358 -5.844 10.400 118 HD21 ASN 50 HD21 ASN 50 0.881 -7.823 9.487 119 HD22 ASN 50 HD22 ASN 50 0.473 -8.000 7.820 120 H LEU 51 H LEU 51 0.704 -2.713 7.431 121 HA LEU 51 HA LEU 51 2.807 -2.820 5.590 122 HG LEU 51 HG LEU 51 1.432 -2.626 3.447 123 HB2 LEU 51 HB2 LEU 51 0.330 -1.214 5.884 124 HB3 LEU 51 HB3 LEU 51 1.548 -0.607 4.782 125 HD11 LEU 51 HD11 LEU 51 -0.156 -4.404 3.943 126 HD12 LEU 51 HD12 LEU 51 1.033 -4.234 5.234 127 HD13 LEU 51 HD13 LEU 51 -0.597 -3.598 5.448 128 HD21 LEU 51 HD21 LEU 51 -1.380 -1.745 4.055 129 HD22 LEU 51 HD22 LEU 51 -0.234 -0.788 3.116 130 HD23 LEU 51 HD23 LEU 51 -0.747 -2.371 2.533 131 H LYS 52 H LYS 52 2.324 -0.813 8.349 132 HA LYS 52 HA LYS 52 4.169 1.250 7.561 133 HB2 LYS 52 HB2 LYS 52 2.917 0.492 10.194 134 HB3 LYS 52 HB3 LYS 52 4.163 1.722 10.095 135 HG2 LYS 52 HG2 LYS 52 2.666 2.984 8.494 136 HG3 LYS 52 HG3 LYS 52 1.412 1.791 8.868 137 HD2 LYS 52 HD2 LYS 52 1.310 2.420 11.128 138 HD3 LYS 52 HD3 LYS 52 2.840 3.293 11.042 139 HE2 LYS 52 HE2 LYS 52 1.179 4.949 11.106 140 HE3 LYS 52 HE3 LYS 52 1.687 4.861 9.422 141 HZ1 LYS 52 HZ1 LYS 52 -0.767 3.635 10.569 142 HZ2 LYS 52 HZ2 LYS 52 -0.271 3.524 8.952 143 HZ3 LYS 52 HZ3 LYS 52 -0.694 5.027 9.602 144 H LYS 53 H LYS 53 4.343 -1.897 8.969 145 HA LYS 53 HA LYS 53 7.085 -1.521 9.864 146 HB2 LYS 53 HB2 LYS 53 5.278 -3.939 9.987 147 HB3 LYS 53 HB3 LYS 53 6.894 -3.846 10.679 148 HG2 LYS 53 HG2 LYS 53 6.141 -2.004 12.118 149 HG3 LYS 53 HG3 LYS 53 4.512 -2.188 11.470 150 HD2 LYS 53 HD2 LYS 53 4.483 -4.515 12.305 151 HD3 LYS 53 HD3 LYS 53 6.077 -4.254 13.016 152 HE2 LYS 53 HE2 LYS 53 5.125 -2.402 14.357 153 HE3 LYS 53 HE3 LYS 53 3.533 -2.796 13.713 154 HZ1 LYS 53 HZ1 LYS 53 5.253 -4.575 15.354 155 HZ2 LYS 53 HZ2 LYS 53 3.756 -5.016 14.689 156 HZ3 LYS 53 HZ3 LYS 53 3.836 -3.796 15.868 157 H LEU 54 H LEU 54 5.282 -3.316 7.409 158 HA LEU 54 HA LEU 54 7.604 -4.755 6.546 159 HG LEU 54 HG LEU 54 6.531 -6.969 6.341 160 HB2 LEU 54 HB2 LEU 54 4.758 -4.614 5.662 161 HB3 LEU 54 HB3 LEU 54 5.944 -5.307 4.577 162 HD11 LEU 54 HD11 LEU 54 5.809 -5.690 8.301 163 HD12 LEU 54 HD12 LEU 54 4.133 -5.840 7.770 164 HD13 LEU 54 HD13 LEU 54 5.041 -7.277 8.232 165 HD21 LEU 54 HD21 LEU 54 3.631 -6.885 5.543 166 HD22 LEU 54 HD22 LEU 54 4.958 -7.518 4.568 167 HD23 LEU 54 HD23 LEU 54 4.518 -8.312 6.078 168 H LEU 55 H LEU 55 5.969 -1.838 5.541 169 HA LEU 55 HA LEU 55 7.547 -1.745 3.089 170 HG LEU 55 HG LEU 55 4.350 -0.628 1.815 171 HB2 LEU 55 HB2 LEU 55 5.276 -0.073 4.121 172 HB3 LEU 55 HB3 LEU 55 6.238 0.427 2.741 173 HD11 LEU 55 HD11 LEU 55 6.638 -2.579 1.911 174 HD12 LEU 55 HD12 LEU 55 5.264 -2.710 0.807 175 HD13 LEU 55 HD13 LEU 55 6.346 -1.318 0.712 176 HD21 LEU 55 HD21 LEU 55 4.784 -2.884 3.770 177 HD22 LEU 55 HD22 LEU 55 3.456 -1.725 3.777 178 HD23 LEU 55 HD23 LEU 55 3.601 -2.892 2.461 179 H GLU 56 H GLU 56 7.970 -0.914 6.238 180 HA GLU 56 HA GLU 56 9.313 1.475 6.305 181 HB2 GLU 56 HB2 GLU 56 8.957 0.133 8.288 182 HB3 GLU 56 HB3 GLU 56 9.998 -1.137 7.671 183 HG2 GLU 56 HG2 GLU 56 11.258 -0.027 9.289 184 HG3 GLU 56 HG3 GLU 56 11.879 0.550 7.745 185 HA PRO 57 HA PRO 57 13.377 -0.594 4.641 186 HB2 PRO 57 HB2 PRO 57 13.140 -3.035 3.459 187 HB3 PRO 57 HB3 PRO 57 13.556 -2.822 5.164 188 HG2 PRO 57 HG2 PRO 57 10.930 -3.493 3.910 189 HG3 PRO 57 HG3 PRO 57 11.667 -4.147 5.385 190 HD2 PRO 57 HD2 PRO 57 9.717 -2.269 5.415 191 HD3 PRO 57 HD3 PRO 57 10.980 -2.364 6.660 192 H ARG 58 H ARG 58 10.449 -1.612 2.972 193 HA ARG 58 HA ARG 58 11.448 -1.669 0.368 194 HE ARG 58 HE ARG 58 10.120 -5.797 0.368 195 HB2 ARG 58 HB2 ARG 58 8.693 -1.333 1.507 196 HB3 ARG 58 HB3 ARG 58 8.966 -1.372 -0.225 197 HG2 ARG 58 HG2 ARG 58 9.752 -3.553 1.697 198 HG3 ARG 58 HG3 ARG 58 8.290 -3.548 0.712 199 HD2 ARG 58 HD2 ARG 58 9.747 -3.394 -1.309 200 HD3 ARG 58 HD3 ARG 58 11.144 -3.612 -0.255 201 HH11 ARG 58 HH12 ARG 58 9.396 -4.269 -2.700 202 HH12 ARG 58 HH11 ARG 58 8.877 -5.750 -3.459 203 HH21 ARG 58 HH22 ARG 58 9.487 -7.748 -0.638 204 HH22 ARG 58 HH21 ARG 58 8.931 -7.730 -2.284 205 H LEU 59 H LEU 59 9.830 0.953 2.126 206 HA LEU 59 HA LEU 59 10.116 2.655 -0.246 207 HG LEU 59 HG LEU 59 7.536 1.372 0.756 208 HB2 LEU 59 HB2 LEU 59 8.545 3.057 2.298 209 HB3 LEU 59 HB3 LEU 59 8.593 4.193 0.965 210 HD11 LEU 59 HD11 LEU 59 6.063 3.985 1.063 211 HD12 LEU 59 HD12 LEU 59 5.320 2.428 0.704 212 HD13 LEU 59 HD13 LEU 59 6.137 2.680 2.246 213 HD21 LEU 59 HD21 LEU 59 8.362 2.271 -1.354 214 HD22 LEU 59 HD22 LEU 59 6.602 2.162 -1.366 215 HD23 LEU 59 HD23 LEU 59 7.388 3.724 -1.130 216 H GLN 60 H GLN 60 11.684 1.997 2.625 217 HA GLN 60 HA GLN 60 13.041 3.089 4.090 218 HB2 GLN 60 HB2 GLN 60 13.535 4.845 1.679 219 HB3 GLN 60 HB3 GLN 60 14.505 4.859 3.146 220 HG2 GLN 60 HG2 GLN 60 15.107 2.515 2.752 221 HG3 GLN 60 HG3 GLN 60 14.168 2.537 1.262 222 HE21 GLN 60 HE21 GLN 60 14.967 5.281 0.622 223 HE22 GLN 60 HE22 GLN 60 16.617 5.195 0.096 224 H CYS 61 H CYS 61 10.287 3.823 3.802 225 HA CYS 61 HA CYS 61 10.122 6.704 4.133 226 HG CYS 61 HG CYS 61 8.070 8.052 4.205 227 HB2 CYS 61 HB2 CYS 61 8.426 5.125 2.884 228 HB3 CYS 61 HB3 CYS 61 7.821 4.837 4.514 229 H SER 62 H SER 62 9.305 7.700 5.964 230 HA SER 62 HA SER 62 9.392 6.146 8.417 231 HG SER 62 HG SER 62 11.105 7.723 7.849 232 HB2 SER 62 HB2 SER 62 8.773 9.077 7.993 233 HB3 SER 62 HB3 SER 62 9.123 8.277 9.520 234 H LEU 63 H LEU 63 7.647 4.864 8.509 235 HA LEU 63 HA LEU 63 5.110 5.679 7.385 236 HG LEU 63 HG LEU 63 5.266 2.101 6.605 237 HB2 LEU 63 HB2 LEU 63 5.885 3.170 8.874 238 HB3 LEU 63 HB3 LEU 63 4.303 3.457 8.184 239 HD11 LEU 63 HD11 LEU 63 4.496 4.038 5.421 240 HD12 LEU 63 HD12 LEU 63 6.039 4.855 5.683 241 HD13 LEU 63 HD13 LEU 63 5.963 3.422 4.654 242 HD21 LEU 63 HD21 LEU 63 7.420 1.906 7.616 243 HD22 LEU 63 HD22 LEU 63 7.598 2.212 5.889 244 HD23 LEU 63 HD23 LEU 63 7.877 3.513 7.045 245 H ASP 64 H ASP 64 4.363 7.375 8.618 246 HA ASP 64 HA ASP 64 3.744 6.750 11.420 247 HB2 ASP 64 HB2 ASP 64 4.766 9.438 10.470 248 HB3 ASP 64 HB3 ASP 64 4.346 9.004 12.120 249 H ALA 65 H ALA 65 3.250 9.652 9.408 250 HA ALA 65 HA ALA 65 0.670 10.054 10.498 251 HB1 ALA 65 HB1 ALA 65 2.119 11.887 9.786 252 HB2 ALA 65 HB2 ALA 65 1.948 11.369 8.108 253 HB3 ALA 65 HB3 ALA 65 0.543 11.957 8.995 254 H HIS 66 H HIS 66 1.786 8.425 7.618 255 HA HIS 66 HA HIS 66 -0.788 8.563 6.371 256 HD2 HIS 66 HD2 HIS 66 2.942 7.608 3.346 257 HE1 HIS 66 HE1 HIS 66 4.977 6.919 6.971 258 HE2 HIS 66 HE2 HIS 66 5.216 7.106 4.465 259 HB2 HIS 66 HB2 HIS 66 0.365 6.647 4.911 260 HB3 HIS 66 HB3 HIS 66 0.569 8.367 4.608 261 H GLU 67 H GLU 67 -2.421 7.563 6.944 262 HA GLU 67 HA GLU 67 -2.392 5.227 8.604 263 HB2 GLU 67 HB2 GLU 67 -4.873 5.363 8.329 264 HB3 GLU 67 HB3 GLU 67 -4.152 6.859 8.902 265 HG2 GLU 67 HG2 GLU 67 -4.224 7.707 6.558 266 HG3 GLU 67 HG3 GLU 67 -5.111 6.250 6.117 267 H ILE 68 H ILE 68 -3.723 3.250 7.913 268 HA ILE 68 HA ILE 68 -2.691 2.494 5.276 269 HB ILE 68 HB ILE 68 -4.020 0.418 6.908 270 HG12 ILE 68 HG12 ILE 68 -2.730 1.831 8.590 271 HG13 ILE 68 HG13 ILE 68 -2.261 0.139 8.494 272 HG21 ILE 68 HG21 ILE 68 -1.379 0.563 5.451 273 HG22 ILE 68 HG22 ILE 68 -2.138 -0.897 6.089 274 HG23 ILE 68 HG23 ILE 68 -2.900 -0.014 4.765 275 HD11 ILE 68 HD11 ILE 68 -0.343 0.768 7.107 276 HD12 ILE 68 HD12 ILE 68 -0.805 2.465 7.258 277 HD13 ILE 68 HD13 ILE 68 -0.317 1.550 8.687 278 H CYS 69 H CYS 69 -4.068 1.555 3.670 279 HA CYS 69 HA CYS 69 -6.911 1.980 4.016 280 HG CYS 69 HG CYS 69 -6.015 4.273 5.274 281 HB2 CYS 69 HB2 CYS 69 -5.149 3.780 2.359 282 HB3 CYS 69 HB3 CYS 69 -6.887 3.644 2.090 283 H LEU 70 H LEU 70 -8.050 1.658 1.871 284 HA LEU 70 HA LEU 70 -6.521 -0.015 0.024 285 HG LEU 70 HG LEU 70 -6.933 -2.134 -0.391 286 HB2 LEU 70 HB2 LEU 70 -7.899 -1.230 1.902 287 HB3 LEU 70 HB3 LEU 70 -9.263 -0.833 0.874 288 HD11 LEU 70 HD11 LEU 70 -7.694 -4.336 0.302 289 HD12 LEU 70 HD12 LEU 70 -7.211 -3.364 1.692 290 HD13 LEU 70 HD13 LEU 70 -8.920 -3.593 1.331 291 HD21 LEU 70 HD21 LEU 70 -9.917 -2.474 -0.674 292 HD22 LEU 70 HD22 LEU 70 -8.890 -1.474 -1.703 293 HD23 LEU 70 HD23 LEU 70 -8.690 -3.226 -1.692 294 H GLN 71 H GLN 71 -6.750 0.973 -1.868 295 HA GLN 71 HA GLN 71 -7.594 2.210 -3.575 296 HB2 GLN 71 HB2 GLN 71 -10.078 0.703 -2.744 297 HB3 GLN 71 HB3 GLN 71 -9.933 1.620 -4.241 298 HG2 GLN 71 HG2 GLN 71 -8.391 0.154 -5.145 299 HG3 GLN 71 HG3 GLN 71 -7.938 -0.500 -3.573 300 HE21 GLN 71 HE21 GLN 71 -8.251 -2.591 -4.197 301 HE22 GLN 71 HE22 GLN 71 -9.816 -3.269 -4.451 302 H ASP 72 H ASP 72 -7.454 3.420 -1.040 303 HA ASP 72 HA ASP 72 -7.641 5.621 -0.487 304 HB2 ASP 72 HB2 ASP 72 -8.245 6.439 -2.626 305 HB3 ASP 72 HB3 ASP 72 -9.840 5.686 -2.553 306 H ILE 73 H ILE 73 -10.191 3.296 -0.277 307 HA ILE 73 HA ILE 73 -11.629 4.505 1.868 308 HB ILE 73 HB ILE 73 -11.192 1.551 1.825 309 HG12 ILE 73 HG12 ILE 73 -13.223 2.661 -0.076 310 HG13 ILE 73 HG13 ILE 73 -11.554 2.441 -0.606 311 HG21 ILE 73 HG21 ILE 73 -13.623 3.279 2.235 312 HG22 ILE 73 HG22 ILE 73 -13.590 1.522 2.370 313 HG23 ILE 73 HG23 ILE 73 -12.649 2.510 3.487 314 HD11 ILE 73 HD11 ILE 73 -12.791 0.486 -1.196 315 HD12 ILE 73 HD12 ILE 73 -11.697 0.072 0.130 316 HD13 ILE 73 HD13 ILE 73 -13.417 0.328 0.446 317 H GLN 74 H GLN 74 -11.244 4.050 4.137 318 HA GLN 74 HA GLN 74 -8.406 3.537 4.590 319 HB2 GLN 74 HB2 GLN 74 -9.273 4.526 6.964 320 HB3 GLN 74 HB3 GLN 74 -8.593 5.497 5.664 321 HG2 GLN 74 HG2 GLN 74 -11.536 4.956 5.917 322 HG3 GLN 74 HG3 GLN 74 -10.755 6.306 6.729 323 HE21 GLN 74 HE21 GLN 74 -8.910 6.688 4.350 324 HE22 GLN 74 HE22 GLN 74 -9.914 7.463 3.176 325 H LEU 75 H LEU 75 -7.698 2.215 6.245 326 HA LEU 75 HA LEU 75 -9.600 0.054 6.932 327 HG LEU 75 HG LEU 75 -8.580 -0.122 4.302 328 HB2 LEU 75 HB2 LEU 75 -6.700 -0.082 6.095 329 HB3 LEU 75 HB3 LEU 75 -7.555 -1.436 6.805 330 HD11 LEU 75 HD11 LEU 75 -6.620 -2.414 4.409 331 HD12 LEU 75 HD12 LEU 75 -7.384 -1.731 2.968 332 HD13 LEU 75 HD13 LEU 75 -6.229 -0.770 3.896 333 HD21 LEU 75 HD21 LEU 75 -10.095 -1.615 5.419 334 HD22 LEU 75 HD22 LEU 75 -9.492 -2.394 3.954 335 HD23 LEU 75 HD23 LEU 75 -8.845 -2.859 5.531 336 H ASP 76 H ASP 76 -8.481 -1.369 8.795 337 HA ASP 76 HA ASP 76 -7.589 0.560 10.803 338 HB2 ASP 76 HB2 ASP 76 -9.939 -0.210 11.155 339 HB3 ASP 76 HB3 ASP 76 -9.348 -1.865 11.258 340 HA PRO 77 HA PRO 77 -3.849 -1.965 10.435 341 HB2 PRO 77 HB2 PRO 77 -3.467 -0.295 12.895 342 HB3 PRO 77 HB3 PRO 77 -2.329 -0.638 11.584 343 HG2 PRO 77 HG2 PRO 77 -3.598 1.687 11.676 344 HG3 PRO 77 HG3 PRO 77 -3.354 0.854 10.130 345 HD2 PRO 77 HD2 PRO 77 -5.832 1.157 11.743 346 HD3 PRO 77 HD3 PRO 77 -5.640 1.020 9.985 347 H ASP 78 H ASP 78 -5.963 -1.624 13.184 348 HA ASP 78 HA ASP 78 -4.723 -3.618 14.815 349 HB2 ASP 78 HB2 ASP 78 -7.362 -2.171 14.870 350 HB3 ASP 78 HB3 ASP 78 -6.959 -3.418 16.058 351 H ARG 79 H ARG 79 -6.726 -3.741 12.087 352 HA ARG 79 HA ARG 79 -7.705 -6.423 12.793 353 HE ARG 79 HE ARG 79 -11.837 -3.537 14.737 354 HB2 ARG 79 HB2 ARG 79 -9.081 -4.204 11.259 355 HB3 ARG 79 HB3 ARG 79 -9.668 -5.864 11.321 356 HG2 ARG 79 HG2 ARG 79 -9.854 -5.688 13.772 357 HG3 ARG 79 HG3 ARG 79 -9.335 -4.004 13.664 358 HD2 ARG 79 HD2 ARG 79 -11.271 -3.413 12.406 359 HD3 ARG 79 HD3 ARG 79 -11.744 -5.102 12.235 360 HH11 ARG 79 HH12 ARG 79 -12.818 -6.295 12.811 361 HH12 ARG 79 HH11 ARG 79 -14.046 -6.809 13.921 362 HH21 ARG 79 HH22 ARG 79 -13.462 -4.200 16.213 363 HH22 ARG 79 HH21 ARG 79 -14.421 -5.608 15.859 364 H SER 80 H SER 80 -8.163 -7.799 10.858 365 HA SER 80 HA SER 80 -5.944 -7.521 8.996 366 HG SER 80 HG SER 80 -8.461 -9.577 10.511 367 HB2 SER 80 HB2 SER 80 -6.391 -9.908 8.578 368 HB3 SER 80 HB3 SER 80 -6.174 -9.569 10.292 369 H LEU 81 H LEU 81 -6.395 -8.537 6.723 370 HA LEU 81 HA LEU 81 -8.476 -7.273 5.326 371 HG LEU 81 HG LEU 81 -7.356 -7.065 3.156 372 HB2 LEU 81 HB2 LEU 81 -6.677 -9.555 4.711 373 HB3 LEU 81 HB3 LEU 81 -8.112 -9.385 3.726 374 HD11 LEU 81 HD11 LEU 81 -5.878 -6.658 5.037 375 HD12 LEU 81 HD12 LEU 81 -4.802 -7.940 4.484 376 HD13 LEU 81 HD13 LEU 81 -5.018 -6.485 3.507 377 HD21 LEU 81 HD21 LEU 81 -7.013 -8.890 1.607 378 HD22 LEU 81 HD22 LEU 81 -5.621 -7.812 1.574 379 HD23 LEU 81 HD23 LEU 81 -5.526 -9.349 2.434 380 H PHE 82 H PHE 82 -8.324 -10.434 6.882 381 HA PHE 82 HA PHE 82 -10.929 -11.256 6.219 382 HD1 PHE 82 HD2 PHE 82 -11.850 -13.985 7.283 383 HD2 PHE 82 HD1 PHE 82 -7.777 -13.116 6.505 384 HE1 PHE 82 HE2 PHE 82 -11.709 -16.002 5.878 385 HE2 PHE 82 HE1 PHE 82 -7.616 -15.133 5.091 386 HZ PHE 82 HZ PHE 82 -9.582 -16.579 4.780 387 HB2 PHE 82 HB2 PHE 82 -8.948 -12.043 8.280 388 HB3 PHE 82 HB3 PHE 82 -10.628 -12.428 8.630 389 H ASP 83 H ASP 83 -9.834 -8.849 8.356 390 HA ASP 83 HA ASP 83 -12.513 -8.551 9.508 391 HB2 ASP 83 HB2 ASP 83 -9.919 -7.122 10.061 392 HB3 ASP 83 HB3 ASP 83 -11.447 -6.710 10.832 393 H GLN 84 H GLN 84 -10.657 -7.428 6.914 394 HA GLN 84 HA GLN 84 -12.512 -5.217 6.426 395 HB2 GLN 84 HB2 GLN 84 -9.563 -4.977 6.794 396 HB3 GLN 84 HB3 GLN 84 -10.333 -3.974 5.587 397 HG2 GLN 84 HG2 GLN 84 -10.548 -2.515 7.258 398 HG3 GLN 84 HG3 GLN 84 -11.938 -3.509 7.710 399 HE21 GLN 84 HE21 GLN 84 -8.600 -4.518 8.015 400 HE22 GLN 84 HE22 GLN 84 -8.557 -4.491 9.733 401 H GLY 85 H GLY 85 -13.357 -6.446 4.660 402 HA2 GLY 85 HA2 GLY 85 -13.324 -5.959 2.293 403 HA3 GLY 85 HA3 GLY 85 -11.579 -6.126 2.330 404 H VAL 86 H VAL 86 -10.692 -8.346 2.602 405 HA VAL 86 HA VAL 86 -12.459 -10.105 1.054 406 HB VAL 86 HB VAL 86 -10.492 -11.089 0.057 407 HG11 VAL 86 HG11 VAL 86 -10.442 -8.080 -0.104 408 HG12 VAL 86 HG12 VAL 86 -9.702 -9.178 -1.269 409 HG13 VAL 86 HG13 VAL 86 -11.455 -9.161 -1.061 410 HG21 VAL 86 HG21 VAL 86 -8.903 -10.907 1.866 411 HG22 VAL 86 HG22 VAL 86 -8.243 -10.146 0.417 412 HG23 VAL 86 HG23 VAL 86 -8.897 -9.147 1.717 413 H LYS 87 H LYS 87 -12.773 -12.170 1.629 414 HA LYS 87 HA LYS 87 -11.175 -13.207 3.879 415 HB2 LYS 87 HB2 LYS 87 -13.859 -14.313 3.072 416 HB3 LYS 87 HB3 LYS 87 -13.018 -14.485 4.607 417 HG2 LYS 87 HG2 LYS 87 -14.197 -11.921 3.568 418 HG3 LYS 87 HG3 LYS 87 -14.974 -12.998 4.726 419 HD2 LYS 87 HD2 LYS 87 -13.609 -12.371 6.430 420 HD3 LYS 87 HD3 LYS 87 -12.220 -12.063 5.374 421 HE2 LYS 87 HE2 LYS 87 -13.086 -9.979 6.308 422 HE3 LYS 87 HE3 LYS 87 -13.322 -10.021 4.561 423 HZ1 LYS 87 HZ1 LYS 87 -15.294 -9.191 5.585 424 HZ2 LYS 87 HZ2 LYS 87 -15.377 -10.505 6.654 425 HZ3 LYS 87 HZ3 LYS 87 -15.638 -10.743 4.998 426 H THR 88 H THR 88 -9.625 -13.681 2.134 427 HA THR 88 HA THR 88 -10.459 -15.991 0.554 428 HB THR 88 HB THR 88 -9.701 -14.429 -0.978 429 HG1 THR 88 HG1 THR 88 -8.543 -15.948 -1.835 430 HG21 THR 88 HG21 THR 88 -7.614 -13.144 -0.793 431 HG22 THR 88 HG22 THR 88 -7.329 -13.852 0.796 432 HG23 THR 88 HG23 THR 88 -8.722 -12.805 0.537 433 H ASP 89 H ASP 89 -7.053 -15.336 1.217 434 HA ASP 89 HA ASP 89 -6.878 -16.898 3.547 435 HB2 ASP 89 HB2 ASP 89 -7.393 -18.830 2.301 436 HB3 ASP 89 HB3 ASP 89 -6.407 -18.312 0.937 437 H GLY 90 H GLY 90 -5.143 -16.288 4.540 438 HA2 GLY 90 HA2 GLY 90 -2.902 -16.362 5.009 439 HA3 GLY 90 HA3 GLY 90 -2.636 -16.977 3.390 440 H THR 91 H THR 91 -1.453 -15.779 2.153 441 HA THR 91 HA THR 91 -1.151 -12.944 2.845 442 HB THR 91 HB THR 91 0.792 -14.800 1.464 443 HG1 THR 91 HG1 THR 91 0.378 -13.999 4.095 444 HG21 THR 91 HG21 THR 91 2.394 -12.945 1.671 445 HG22 THR 91 HG22 THR 91 1.109 -11.917 2.302 446 HG23 THR 91 HG23 THR 91 1.029 -12.508 0.642 447 H VAL 92 H VAL 92 -2.161 -11.622 1.503 448 HA VAL 92 HA VAL 92 -2.341 -12.296 -1.343 449 HB VAL 92 HB VAL 92 -3.870 -10.495 -1.614 450 HG11 VAL 92 HG11 VAL 92 -4.975 -12.421 -0.933 451 HG12 VAL 92 HG12 VAL 92 -4.411 -12.266 0.729 452 HG13 VAL 92 HG13 VAL 92 -5.628 -11.154 0.107 453 HG21 VAL 92 HG21 VAL 92 -3.330 -9.776 1.264 454 HG22 VAL 92 HG22 VAL 92 -2.860 -8.845 -0.161 455 HG23 VAL 92 HG23 VAL 92 -4.565 -9.043 0.237 456 H GLN 93 H GLN 93 -1.811 -10.556 -2.875 457 HA GLN 93 HA GLN 93 0.599 -9.164 -1.985 458 HB2 GLN 93 HB2 GLN 93 0.442 -10.723 -4.088 459 HB3 GLN 93 HB3 GLN 93 -0.304 -9.323 -4.846 460 HG2 GLN 93 HG2 GLN 93 2.371 -9.247 -3.490 461 HG3 GLN 93 HG3 GLN 93 2.156 -9.576 -5.206 462 HE21 GLN 93 HE21 GLN 93 3.370 -7.364 -3.571 463 HE22 GLN 93 HE22 GLN 93 2.717 -5.921 -4.269 464 H LEU 94 H LEU 94 0.586 -7.038 -1.758 465 HA LEU 94 HA LEU 94 -1.938 -5.643 -2.370 466 HG LEU 94 HG LEU 94 -1.929 -5.139 1.235 467 HB2 LEU 94 HB2 LEU 94 0.149 -4.984 -0.290 468 HB3 LEU 94 HB3 LEU 94 -1.268 -4.006 -0.621 469 HD11 LEU 94 HD11 LEU 94 -3.624 -5.505 -0.368 470 HD12 LEU 94 HD12 LEU 94 -2.781 -6.908 -1.026 471 HD13 LEU 94 HD13 LEU 94 -3.461 -6.964 0.602 472 HD21 LEU 94 HD21 LEU 94 0.037 -6.525 1.500 473 HD22 LEU 94 HD22 LEU 94 -1.423 -7.486 1.740 474 HD23 LEU 94 HD23 LEU 94 -0.528 -7.603 0.224 475 H SER 95 H SER 95 -1.817 -4.386 -4.112 476 HA SER 95 HA SER 95 0.648 -2.956 -4.689 477 HG SER 95 HG SER 95 -0.566 -4.797 -6.006 478 HB2 SER 95 HB2 SER 95 -2.070 -2.698 -6.007 479 HB3 SER 95 HB3 SER 95 -0.529 -2.116 -6.642 480 H VAL 96 H VAL 96 0.600 -2.038 -2.567 481 HA VAL 96 HA VAL 96 -1.462 -0.072 -1.984 482 HB VAL 96 HB VAL 96 -0.984 -1.455 -0.161 483 HG11 VAL 96 HG11 VAL 96 1.265 -1.798 0.761 484 HG12 VAL 96 HG12 VAL 96 1.120 -2.375 -0.900 485 HG13 VAL 96 HG13 VAL 96 1.942 -0.850 -0.564 486 HG21 VAL 96 HG21 VAL 96 -1.276 0.813 0.533 487 HG22 VAL 96 HG22 VAL 96 -0.053 0.060 1.552 488 HG23 VAL 96 HG23 VAL 96 0.433 1.170 0.270 489 H GLN 97 H GLN 97 -1.310 1.998 -2.162 490 HA GLN 97 HA GLN 97 1.187 3.218 -3.125 491 HB2 GLN 97 HB2 GLN 97 -1.710 4.020 -3.339 492 HB3 GLN 97 HB3 GLN 97 -0.404 5.097 -3.777 493 HG2 GLN 97 HG2 GLN 97 0.340 3.362 -5.427 494 HG3 GLN 97 HG3 GLN 97 -1.143 2.487 -5.041 495 HE21 GLN 97 HE21 GLN 97 -2.656 4.966 -4.669 496 HE22 GLN 97 HE22 GLN 97 -2.977 5.560 -6.259 497 H VAL 98 H VAL 98 1.984 5.105 -2.169 498 HA VAL 98 HA VAL 98 0.732 5.891 0.330 499 HB VAL 98 HB VAL 98 2.677 6.917 0.949 500 HG11 VAL 98 HG11 VAL 98 3.100 4.572 0.821 501 HG12 VAL 98 HG12 VAL 98 3.577 4.712 -0.871 502 HG13 VAL 98 HG13 VAL 98 4.570 5.443 0.389 503 HG21 VAL 98 HG21 VAL 98 3.374 7.233 -1.940 504 HG22 VAL 98 HG22 VAL 98 3.066 8.491 -0.750 505 HG23 VAL 98 HG23 VAL 98 4.537 7.524 -0.645 506 H ILE 99 H ILE 99 -0.730 7.399 0.319 507 HA ILE 99 HA ILE 99 -0.885 9.174 -2.009 508 HB ILE 99 HB ILE 99 -3.023 8.419 -0.015 509 HG12 ILE 99 HG12 ILE 99 -2.677 7.697 -2.930 510 HG13 ILE 99 HG13 ILE 99 -2.508 6.601 -1.559 511 HG21 ILE 99 HG21 ILE 99 -3.178 10.171 -2.457 512 HG22 ILE 99 HG22 ILE 99 -4.559 9.634 -1.497 513 HG23 ILE 99 HG23 ILE 99 -3.342 10.688 -0.778 514 HD11 ILE 99 HD11 ILE 99 -4.875 6.970 -1.000 515 HD12 ILE 99 HD12 ILE 99 -5.029 7.992 -2.432 516 HD13 ILE 99 HD13 ILE 99 -4.646 6.278 -2.610 517 H SER 100 H SER 100 0.502 10.916 -1.243 518 HA SER 100 HA SER 100 -1.302 12.640 0.301 519 HG SER 100 HG SER 100 2.697 12.426 0.666 520 HB2 SER 100 HB2 SER 100 0.716 13.988 0.918 521 HB3 SER 100 HB3 SER 100 0.772 12.351 1.557 522 H TYR 101 H TYR 101 -2.459 13.353 -1.439 523 HA TYR 101 HA TYR 101 -1.116 13.823 -3.945 524 HD1 TYR 101 HD1 TYR 101 -1.188 12.339 -5.007 525 HD2 TYR 101 HD2 TYR 101 -5.281 11.848 -3.895 526 HE1 TYR 101 HE1 TYR 101 -1.144 10.035 -5.855 527 HE2 TYR 101 HE2 TYR 101 -5.234 9.550 -4.747 528 HH TYR 101 HH TYR 101 -2.395 7.912 -5.469 529 HB2 TYR 101 HB2 TYR 101 -4.012 13.784 -3.133 530 HB3 TYR 101 HB3 TYR 101 -3.515 14.344 -4.725 531 H GLN 102 H GLN 102 -3.826 15.872 -3.272 532 HA GLN 102 HA GLN 102 -2.051 18.173 -3.677 533 HB2 GLN 102 HB2 GLN 102 -5.071 18.107 -3.880 534 HB3 GLN 102 HB3 GLN 102 -4.005 19.403 -4.398 535 HG2 GLN 102 HG2 GLN 102 -4.539 18.384 -6.384 536 HG3 GLN 102 HG3 GLN 102 -3.000 17.632 -5.981 537 HE21 GLN 102 HE21 GLN 102 -5.973 16.814 -4.338 538 HE22 GLN 102 HE22 GLN 102 -6.144 15.230 -5.023 539 H GLY 103 H GLY 103 -1.576 17.580 -1.253 540 HA2 GLY 103 HA2 GLY 103 -1.665 18.473 0.891 541 HA3 GLY 103 HA3 GLY 103 -2.990 19.505 0.362 542 H MET 104 H MET 104 -2.770 16.023 0.129 543 HA MET 104 HA MET 104 -5.370 15.797 1.432 544 HB2 MET 104 HB2 MET 104 -3.726 14.003 -0.315 545 HB3 MET 104 HB3 MET 104 -4.980 13.313 0.702 546 HG2 MET 104 HG2 MET 104 -6.588 14.906 -0.379 547 HG3 MET 104 HG3 MET 104 -5.299 15.303 -1.520 548 HE1 MET 104 HE1 MET 104 -6.844 10.997 -0.992 549 HE2 MET 104 HE2 MET 104 -5.761 11.828 0.129 550 HE3 MET 104 HE3 MET 104 -7.441 12.343 -0.021 551 H GLU 105 H GLU 105 -5.652 13.762 2.784 552 HA GLU 105 HA GLU 105 -3.649 13.708 4.859 553 HB2 GLU 105 HB2 GLU 105 -6.107 13.567 5.333 554 HB3 GLU 105 HB3 GLU 105 -6.119 11.988 4.560 555 HG2 GLU 105 HG2 GLU 105 -6.011 11.564 6.858 556 HG3 GLU 105 HG3 GLU 105 -4.378 11.294 6.251 557 HA PRO 106 HA PRO 106 -1.141 10.665 2.719 558 HB2 PRO 106 HB2 PRO 106 0.069 10.010 5.201 559 HB3 PRO 106 HB3 PRO 106 0.709 11.069 3.942 560 HG2 PRO 106 HG2 PRO 106 -0.741 11.755 6.431 561 HG3 PRO 106 HG3 PRO 106 0.474 12.685 5.549 562 HD2 PRO 106 HD2 PRO 106 -2.122 13.359 5.490 563 HD3 PRO 106 HD3 PRO 106 -1.087 13.535 4.059 564 H LYS 107 H LYS 107 -2.106 8.884 2.170 565 HA LYS 107 HA LYS 107 -2.843 6.928 4.255 566 HB2 LYS 107 HB2 LYS 107 -4.306 7.633 1.716 567 HB3 LYS 107 HB3 LYS 107 -4.586 6.133 2.584 568 HG2 LYS 107 HG2 LYS 107 -5.285 7.415 4.546 569 HG3 LYS 107 HG3 LYS 107 -5.044 8.908 3.643 570 HD2 LYS 107 HD2 LYS 107 -6.828 6.699 2.689 571 HD3 LYS 107 HD3 LYS 107 -7.414 8.014 3.724 572 HE2 LYS 107 HE2 LYS 107 -6.537 9.605 1.976 573 HE3 LYS 107 HE3 LYS 107 -6.264 8.196 0.945 574 HZ1 LYS 107 HZ1 LYS 107 -8.838 9.247 1.964 575 HZ2 LYS 107 HZ2 LYS 107 -8.692 7.677 1.353 576 HZ3 LYS 107 HZ3 LYS 107 -8.370 8.997 0.349 577 H LEU 108 H LEU 108 -2.062 4.874 3.919 578 HA LEU 108 HA LEU 108 -0.776 4.339 1.329 579 HG LEU 108 HG LEU 108 1.890 3.154 2.913 580 HB2 LEU 108 HB2 LEU 108 -0.720 2.869 3.969 581 HB3 LEU 108 HB3 LEU 108 -0.066 2.184 2.500 582 HD11 LEU 108 HD11 LEU 108 0.425 5.772 3.089 583 HD12 LEU 108 HD12 LEU 108 2.174 5.577 2.971 584 HD13 LEU 108 HD13 LEU 108 1.137 5.064 1.640 585 HD21 LEU 108 HD21 LEU 108 1.327 2.830 5.236 586 HD22 LEU 108 HD22 LEU 108 2.275 4.304 5.031 587 HD23 LEU 108 HD23 LEU 108 0.531 4.406 5.285 588 H ASN 109 H ASN 109 -2.378 3.757 -0.108 589 HA ASN 109 HA ASN 109 -4.482 1.972 0.910 590 HB2 ASN 109 HB2 ASN 109 -5.733 2.530 -1.157 591 HB3 ASN 109 HB3 ASN 109 -5.474 3.892 -0.102 592 HD21 ASN 109 HD21 ASN 109 -6.152 3.942 -2.852 593 HD22 ASN 109 HD22 ASN 109 -4.871 4.729 -3.702 594 H ILE 110 H ILE 110 -4.523 -0.047 0.389 595 HA ILE 110 HA ILE 110 -2.944 -1.200 -1.686 596 HB ILE 110 HB ILE 110 -5.373 -2.306 -0.281 597 HG12 ILE 110 HG12 ILE 110 -2.485 -2.907 0.339 598 HG13 ILE 110 HG13 ILE 110 -3.343 -1.585 1.122 599 HG21 ILE 110 HG21 ILE 110 -4.725 -3.364 -2.452 600 HG22 ILE 110 HG22 ILE 110 -3.191 -3.803 -1.700 601 HG23 ILE 110 HG23 ILE 110 -4.706 -4.442 -1.058 602 HD11 ILE 110 HD11 ILE 110 -3.286 -3.613 2.474 603 HD12 ILE 110 HD12 ILE 110 -4.931 -3.132 2.059 604 HD13 ILE 110 HD13 ILE 110 -4.167 -4.477 1.208 605 H LEU 111 H LEU 111 -3.371 -0.995 -3.800 606 HA LEU 111 HA LEU 111 -6.074 -0.250 -4.581 607 HG LEU 111 HG LEU 111 -4.113 2.051 -6.658 608 HB2 LEU 111 HB2 LEU 111 -3.458 -0.281 -6.057 609 HB3 LEU 111 HB3 LEU 111 -4.979 -0.143 -6.916 610 HD11 LEU 111 HD11 LEU 111 -5.844 3.151 -5.330 611 HD12 LEU 111 HD12 LEU 111 -6.516 1.850 -6.314 612 HD13 LEU 111 HD13 LEU 111 -6.254 1.607 -4.586 613 HD21 LEU 111 HD21 LEU 111 -2.532 1.612 -4.871 614 HD22 LEU 111 HD22 LEU 111 -3.540 3.008 -4.491 615 HD23 LEU 111 HD23 LEU 111 -3.860 1.456 -3.719 616 H GLU 112 H GLU 112 -4.359 -3.112 -4.115 617 HA GLU 112 HA GLU 112 -6.210 -4.596 -5.720 618 HB2 GLU 112 HB2 GLU 112 -4.661 -3.831 -7.477 619 HB3 GLU 112 HB3 GLU 112 -3.318 -4.545 -6.598 620 HG2 GLU 112 HG2 GLU 112 -4.134 -6.737 -6.956 621 HG3 GLU 112 HG3 GLU 112 -5.666 -6.131 -7.584 622 H ILE 113 H ILE 113 -6.480 -6.519 -4.899 623 HA ILE 113 HA ILE 113 -4.431 -7.603 -3.088 624 HB ILE 113 HB ILE 113 -7.440 -7.797 -2.915 625 HG12 ILE 113 HG12 ILE 113 -5.392 -6.716 -0.982 626 HG13 ILE 113 HG13 ILE 113 -6.485 -5.746 -1.968 627 HG21 ILE 113 HG21 ILE 113 -6.517 -9.967 -2.437 628 HG22 ILE 113 HG22 ILE 113 -5.374 -9.258 -1.296 629 HG23 ILE 113 HG23 ILE 113 -7.103 -9.215 -0.953 630 HD11 ILE 113 HD11 ILE 113 -7.326 -5.933 0.281 631 HD12 ILE 113 HD12 ILE 113 -8.388 -6.797 -0.839 632 HD13 ILE 113 HD13 ILE 113 -7.254 -7.696 0.175 633 H VAL 114 H VAL 114 -3.562 -9.441 -3.859 634 HA VAL 114 HA VAL 114 -5.381 -11.333 -5.115 635 HB VAL 114 HB VAL 114 -3.546 -12.015 -6.713 636 HG11 VAL 114 HG11 VAL 114 -5.407 -10.674 -7.500 637 HG12 VAL 114 HG12 VAL 114 -4.588 -9.198 -6.988 638 HG13 VAL 114 HG13 VAL 114 -3.914 -10.173 -8.295 639 HG21 VAL 114 HG21 VAL 114 -1.759 -10.416 -7.196 640 HG22 VAL 114 HG22 VAL 114 -2.304 -9.396 -5.863 641 HG23 VAL 114 HG23 VAL 114 -1.654 -11.003 -5.535 642 H LYS 115 H LYS 115 -5.419 -12.996 -3.733 643 HA LYS 115 HA LYS 115 -3.438 -13.439 -1.828 644 HB2 LYS 115 HB2 LYS 115 -4.582 -15.383 -1.145 645 HB3 LYS 115 HB3 LYS 115 -5.816 -14.259 -1.680 646 HG2 LYS 115 HG2 LYS 115 -6.568 -15.674 -3.219 647 HG3 LYS 115 HG3 LYS 115 -4.941 -16.031 -3.806 648 HD2 LYS 115 HD2 LYS 115 -6.317 -17.263 -1.416 649 HD3 LYS 115 HD3 LYS 115 -5.931 -18.045 -2.947 650 HE2 LYS 115 HE2 LYS 115 -3.557 -17.786 -2.522 651 HE3 LYS 115 HE3 LYS 115 -3.901 -16.939 -1.017 652 HZ1 LYS 115 HZ1 LYS 115 -4.764 -19.728 -1.545 653 HZ2 LYS 115 HZ2 LYS 115 -4.762 -18.911 -0.059 654 HZ3 LYS 115 HZ3 LYS 115 -3.298 -19.335 -0.793 655 H THR 116 H THR 116 -1.496 -13.831 -2.252 656 HA THR 116 HA THR 116 0.421 -14.858 -2.855 657 HB THR 116 HB THR 116 -1.510 -17.037 -3.602 658 HG1 THR 116 HG1 THR 116 -0.225 -16.219 -1.355 659 HG21 THR 116 HG21 THR 116 0.470 -18.515 -3.791 660 HG22 THR 116 HG22 THR 116 1.501 -17.085 -3.720 661 HG23 THR 116 HG23 THR 116 0.376 -17.297 -5.065 662 H ALA 117 H ALA 117 -1.656 -16.046 -5.468 663 HA ALA 117 HA ALA 117 -0.457 -14.334 -7.443 664 HB1 ALA 117 HB1 ALA 117 0.173 -17.291 -7.467 665 HB2 ALA 117 HB2 ALA 117 0.517 -16.164 -8.779 666 HB3 ALA 117 HB3 ALA 117 1.330 -15.982 -7.225 667 H GLU 118 H GLU 118 -2.350 -17.157 -6.598 668 HA GLU 118 HA GLU 118 -4.116 -17.010 -8.816 669 HB2 GLU 118 HB2 GLU 118 -5.625 -18.360 -7.251 670 HB3 GLU 118 HB3 GLU 118 -4.073 -19.074 -7.663 671 HG2 GLU 118 HG2 GLU 118 -3.175 -18.210 -5.513 672 HG3 GLU 118 HG3 GLU 118 -4.806 -17.684 -5.097 673 H THR 119 H THR 119 -4.493 -14.830 -8.974 674 HA THR 119 HA THR 119 -5.217 -12.930 -7.236 675 HB THR 119 HB THR 119 -4.971 -12.360 -9.530 676 HG1 THR 119 HG1 THR 119 -7.733 -11.892 -9.038 677 HG21 THR 119 HG21 THR 119 -5.806 -14.405 -10.558 678 HG22 THR 119 HG22 THR 119 -6.588 -12.990 -11.266 679 HG23 THR 119 HG23 THR 119 -7.453 -13.982 -10.092 680 H VAL 120 H VAL 120 -6.597 -12.912 -5.598 681 HA VAL 120 HA VAL 120 -9.047 -14.344 -5.525 682 HB VAL 120 HB VAL 120 -7.926 -13.664 -3.457 683 HG11 VAL 120 HG11 VAL 120 -8.004 -11.326 -2.701 684 HG12 VAL 120 HG12 VAL 120 -7.007 -11.543 -4.140 685 HG13 VAL 120 HG13 VAL 120 -8.623 -10.855 -4.284 686 HG21 VAL 120 HG21 VAL 120 -10.315 -14.082 -3.364 687 HG22 VAL 120 HG22 VAL 120 -9.871 -12.797 -2.240 688 HG23 VAL 120 HG23 VAL 120 -10.644 -12.398 -3.774 689 H GLU 121 H GLU 121 -11.143 -13.632 -5.865 690 HA GLU 121 HA GLU 121 -11.321 -11.281 -7.619 691 HB2 GLU 121 HB2 GLU 121 -12.917 -13.843 -7.572 692 HB3 GLU 121 HB3 GLU 121 -13.332 -12.455 -8.566 693 HG2 GLU 121 HG2 GLU 121 -10.697 -13.890 -8.731 694 HG3 GLU 121 HG3 GLU 121 -12.090 -14.274 -9.741 695 H TRP 122 H TRP 122 -12.576 -9.644 -7.013 696 HA TRP 122 HA TRP 122 -14.250 -9.775 -4.689 697 HD1 TRP 122 HD1 TRP 122 -14.375 -6.531 -3.307 698 HE1 TRP 122 HE1 TRP 122 -12.167 -5.781 -2.224 699 HE3 TRP 122 HE3 TRP 122 -11.103 -8.418 -6.740 700 HZ2 TRP 122 HZ2 TRP 122 -9.397 -5.973 -2.760 701 HZ3 TRP 122 HZ3 TRP 122 -8.702 -8.103 -6.391 702 HH2 TRP 122 HH2 TRP 122 -7.863 -6.897 -4.446 703 HB2 TRP 122 HB2 TRP 122 -13.741 -7.687 -6.796 704 HB3 TRP 122 HB3 TRP 122 -15.027 -7.481 -5.618 Start of MODEL 8 1 HA MET 34 HA MET 34 2.225 9.012 -9.594 2 H1 MET 34 H1 MET 34 0.856 10.958 -9.147 3 H2 MET 34 H2 MET 34 1.961 11.206 -10.406 4 H3 MET 34 H3 MET 34 2.256 11.879 -8.875 5 HB2 MET 34 HB2 MET 34 4.280 9.991 -10.289 6 HB3 MET 34 HB3 MET 34 4.413 10.937 -8.815 7 HG2 MET 34 HG2 MET 34 5.990 9.149 -8.721 8 HG3 MET 34 HG3 MET 34 4.717 8.837 -7.544 9 HE1 MET 34 HE1 MET 34 5.292 6.603 -11.529 10 HE2 MET 34 HE2 MET 34 4.810 8.299 -11.471 11 HE3 MET 34 HE3 MET 34 6.397 7.811 -10.874 12 H ALA 35 H ALA 35 0.911 8.190 -8.049 13 HA ALA 35 HA ALA 35 1.407 8.772 -5.254 14 HB1 ALA 35 HB1 ALA 35 -0.318 6.650 -6.547 15 HB2 ALA 35 HB2 ALA 35 -0.258 7.018 -4.822 16 HB3 ALA 35 HB3 ALA 35 -0.869 8.221 -5.959 17 H GLU 36 H GLU 36 2.716 7.577 -3.947 18 HA GLU 36 HA GLU 36 4.709 6.064 -5.330 19 HB2 GLU 36 HB2 GLU 36 4.378 6.698 -2.398 20 HB3 GLU 36 HB3 GLU 36 5.821 5.996 -3.127 21 HG2 GLU 36 HG2 GLU 36 6.127 7.983 -4.487 22 HG3 GLU 36 HG3 GLU 36 4.654 8.683 -3.820 23 H CYS 37 H CYS 37 3.680 4.232 -6.071 24 HA CYS 37 HA CYS 37 2.375 2.421 -4.254 25 HG CYS 37 HG CYS 37 4.709 1.977 -7.490 26 HB2 CYS 37 HB2 CYS 37 2.192 0.972 -6.280 27 HB3 CYS 37 HB3 CYS 37 1.515 2.582 -6.498 28 H VAL 38 H VAL 38 3.078 0.407 -3.634 29 HA VAL 38 HA VAL 38 5.780 -0.431 -4.358 30 HB VAL 38 HB VAL 38 6.078 0.863 -2.301 31 HG11 VAL 38 HG11 VAL 38 5.026 0.176 -0.204 32 HG12 VAL 38 HG12 VAL 38 3.832 0.684 -1.401 33 HG13 VAL 38 HG13 VAL 38 4.081 -1.032 -1.077 34 HG21 VAL 38 HG21 VAL 38 6.337 -2.115 -1.941 35 HG22 VAL 38 HG22 VAL 38 7.552 -0.999 -2.567 36 HG23 VAL 38 HG23 VAL 38 7.067 -0.919 -0.872 37 H SER 39 H SER 39 6.115 -2.716 -4.094 38 HA SER 39 HA SER 39 3.582 -4.195 -3.985 39 HG SER 39 HG SER 39 3.780 -6.158 -5.928 40 HB2 SER 39 HB2 SER 39 4.812 -4.285 -6.127 41 HB3 SER 39 HB3 SER 39 6.217 -4.939 -5.289 42 H GLN 40 H GLN 40 3.252 -5.146 -2.085 43 HA GLN 40 HA GLN 40 5.293 -6.889 -0.980 44 HB2 GLN 40 HB2 GLN 40 4.535 -4.345 0.243 45 HB3 GLN 40 HB3 GLN 40 4.342 -5.716 1.325 46 HG2 GLN 40 HG2 GLN 40 6.882 -5.365 -0.204 47 HG3 GLN 40 HG3 GLN 40 6.588 -4.426 1.259 48 HE21 GLN 40 HE21 GLN 40 5.049 -6.546 2.514 49 HE22 GLN 40 HE22 GLN 40 6.192 -7.738 3.021 50 H ALA 41 H ALA 41 4.405 -8.376 0.609 51 HA ALA 41 HA ALA 41 1.470 -8.651 0.400 52 HB1 ALA 41 HB1 ALA 41 3.554 -10.822 0.333 53 HB2 ALA 41 HB2 ALA 41 1.806 -11.057 0.253 54 HB3 ALA 41 HB3 ALA 41 2.644 -10.211 -1.047 55 H ILE 42 H ILE 42 0.483 -9.940 2.171 56 HA ILE 42 HA ILE 42 1.927 -10.080 4.659 57 HB ILE 42 HB ILE 42 0.995 -8.395 5.912 58 HG12 ILE 42 HG12 ILE 42 -1.279 -8.189 3.925 59 HG13 ILE 42 HG13 ILE 42 -1.334 -9.001 5.479 60 HG21 ILE 42 HG21 ILE 42 0.918 -7.121 3.186 61 HG22 ILE 42 HG22 ILE 42 1.061 -6.283 4.731 62 HG23 ILE 42 HG23 ILE 42 2.359 -7.341 4.177 63 HD11 ILE 42 HD11 ILE 42 -0.936 -6.856 6.600 64 HD12 ILE 42 HD12 ILE 42 -0.971 -6.054 5.029 65 HD13 ILE 42 HD13 ILE 42 -2.415 -6.865 5.634 66 H ASP 43 H ASP 43 0.382 -10.639 6.493 67 HA ASP 43 HA ASP 43 -1.370 -12.769 5.776 68 HB2 ASP 43 HB2 ASP 43 -0.763 -11.261 8.307 69 HB3 ASP 43 HB3 ASP 43 -2.038 -12.465 8.276 70 H ILE 44 H ILE 44 -3.625 -12.718 5.381 71 HA ILE 44 HA ILE 44 -4.828 -10.061 5.516 72 HB ILE 44 HB ILE 44 -6.496 -10.782 4.057 73 HG12 ILE 44 HG12 ILE 44 -5.747 -13.671 4.261 74 HG13 ILE 44 HG13 ILE 44 -6.862 -12.951 5.415 75 HG21 ILE 44 HG21 ILE 44 -4.025 -12.319 3.302 76 HG22 ILE 44 HG22 ILE 44 -5.339 -11.878 2.211 77 HG23 ILE 44 HG23 ILE 44 -4.347 -10.619 2.948 78 HD11 ILE 44 HD11 ILE 44 -7.202 -12.947 2.429 79 HD12 ILE 44 HD12 ILE 44 -8.035 -14.013 3.562 80 HD13 ILE 44 HD13 ILE 44 -8.327 -12.272 3.612 81 H ASN 45 H ASN 45 -4.757 -13.041 7.157 82 HA ASN 45 HA ASN 45 -7.290 -12.620 8.524 83 HB2 ASN 45 HB2 ASN 45 -5.226 -14.520 9.581 84 HB3 ASN 45 HB3 ASN 45 -6.967 -14.715 9.451 85 HD21 ASN 45 HD21 ASN 45 -3.948 -14.862 7.734 86 HD22 ASN 45 HD22 ASN 45 -4.496 -15.880 6.452 87 H GLU 46 H GLU 46 -4.219 -11.380 8.614 88 HA GLU 46 HA GLU 46 -4.331 -10.746 11.463 89 HB2 GLU 46 HB2 GLU 46 -1.989 -11.505 9.746 90 HB3 GLU 46 HB3 GLU 46 -1.771 -10.587 11.231 91 HG2 GLU 46 HG2 GLU 46 -3.027 -12.433 12.408 92 HG3 GLU 46 HG3 GLU 46 -2.877 -13.360 10.916 93 HA PRO 47 HA PRO 47 -4.270 -6.493 11.125 94 HB2 PRO 47 HB2 PRO 47 -1.674 -5.619 11.633 95 HB3 PRO 47 HB3 PRO 47 -2.899 -5.991 12.850 96 HG2 PRO 47 HG2 PRO 47 -0.717 -7.736 11.761 97 HG3 PRO 47 HG3 PRO 47 -1.231 -7.511 13.449 98 HD2 PRO 47 HD2 PRO 47 -1.993 -9.653 12.152 99 HD3 PRO 47 HD3 PRO 47 -3.195 -8.776 13.112 100 H ILE 48 H ILE 48 -4.483 -5.271 9.358 101 HA ILE 48 HA ILE 48 -2.696 -5.608 7.113 102 HB ILE 48 HB ILE 48 -4.177 -4.324 5.845 103 HG12 ILE 48 HG12 ILE 48 -6.064 -3.101 7.437 104 HG13 ILE 48 HG13 ILE 48 -4.567 -2.833 8.326 105 HG21 ILE 48 HG21 ILE 48 -5.199 -6.385 6.603 106 HG22 ILE 48 HG22 ILE 48 -5.869 -5.548 8.005 107 HG23 ILE 48 HG23 ILE 48 -6.405 -5.117 6.381 108 HD11 ILE 48 HD11 ILE 48 -5.058 -2.135 5.451 109 HD12 ILE 48 HD12 ILE 48 -5.026 -1.010 6.811 110 HD13 ILE 48 HD13 ILE 48 -3.557 -1.870 6.341 111 H GLY 49 H GLY 49 -2.726 -3.736 9.895 112 HA2 GLY 49 HA2 GLY 49 -1.595 -1.343 8.790 113 HA3 GLY 49 HA3 GLY 49 -1.715 -1.744 10.493 114 H ASN 50 H ASN 50 -0.305 -4.379 9.146 115 HA ASN 50 HA ASN 50 2.208 -3.675 10.217 116 HB2 ASN 50 HB2 ASN 50 2.921 -5.917 9.519 117 HB3 ASN 50 HB3 ASN 50 1.370 -5.984 10.339 118 HD21 ASN 50 HD21 ASN 50 0.743 -7.921 9.446 119 HD22 ASN 50 HD22 ASN 50 0.359 -8.090 7.766 120 H LEU 51 H LEU 51 0.744 -2.905 7.367 121 HA LEU 51 HA LEU 51 2.827 -3.027 5.496 122 HG LEU 51 HG LEU 51 1.445 -2.907 3.387 123 HB2 LEU 51 HB2 LEU 51 0.333 -1.439 5.782 124 HB3 LEU 51 HB3 LEU 51 1.541 -0.835 4.665 125 HD11 LEU 51 HD11 LEU 51 -0.139 -4.653 3.890 126 HD12 LEU 51 HD12 LEU 51 0.961 -4.430 5.251 127 HD13 LEU 51 HD13 LEU 51 -0.682 -3.788 5.328 128 HD21 LEU 51 HD21 LEU 51 -1.326 -1.862 3.928 129 HD22 LEU 51 HD22 LEU 51 -0.134 -1.085 2.885 130 HD23 LEU 51 HD23 LEU 51 -0.765 -2.676 2.467 131 H LYS 52 H LYS 52 2.300 -0.971 8.219 132 HA LYS 52 HA LYS 52 4.086 1.118 7.406 133 HB2 LYS 52 HB2 LYS 52 2.891 0.328 10.049 134 HB3 LYS 52 HB3 LYS 52 4.140 1.556 9.957 135 HG2 LYS 52 HG2 LYS 52 2.587 2.763 8.292 136 HG3 LYS 52 HG3 LYS 52 1.348 1.636 8.871 137 HD2 LYS 52 HD2 LYS 52 1.590 2.401 11.124 138 HD3 LYS 52 HD3 LYS 52 3.011 3.356 10.704 139 HE2 LYS 52 HE2 LYS 52 1.290 4.921 10.854 140 HE3 LYS 52 HE3 LYS 52 1.461 4.629 9.124 141 HZ1 LYS 52 HZ1 LYS 52 -0.432 3.163 9.205 142 HZ2 LYS 52 HZ2 LYS 52 -0.855 4.675 9.844 143 HZ3 LYS 52 HZ3 LYS 52 -0.574 3.365 10.882 144 H LYS 53 H LYS 53 4.374 -2.018 8.780 145 HA LYS 53 HA LYS 53 7.098 -1.592 9.708 146 HB2 LYS 53 HB2 LYS 53 5.620 -4.215 9.627 147 HB3 LYS 53 HB3 LYS 53 6.964 -3.756 10.664 148 HG2 LYS 53 HG2 LYS 53 5.459 -2.093 11.743 149 HG3 LYS 53 HG3 LYS 53 4.127 -2.779 10.814 150 HD2 LYS 53 HD2 LYS 53 4.058 -3.829 12.935 151 HD3 LYS 53 HD3 LYS 53 4.747 -5.014 11.823 152 HE2 LYS 53 HE2 LYS 53 5.993 -4.992 13.904 153 HE3 LYS 53 HE3 LYS 53 6.998 -4.399 12.583 154 HZ1 LYS 53 HZ1 LYS 53 6.577 -2.138 13.304 155 HZ2 LYS 53 HZ2 LYS 53 7.224 -3.043 14.586 156 HZ3 LYS 53 HZ3 LYS 53 5.565 -2.690 14.548 157 H LEU 54 H LEU 54 5.349 -3.491 7.290 158 HA LEU 54 HA LEU 54 7.713 -4.807 6.387 159 HG LEU 54 HG LEU 54 6.708 -7.071 6.265 160 HB2 LEU 54 HB2 LEU 54 4.851 -4.801 5.532 161 HB3 LEU 54 HB3 LEU 54 6.062 -5.484 4.470 162 HD11 LEU 54 HD11 LEU 54 5.999 -5.775 8.206 163 HD12 LEU 54 HD12 LEU 54 4.313 -5.954 7.713 164 HD13 LEU 54 HD13 LEU 54 5.249 -7.372 8.189 165 HD21 LEU 54 HD21 LEU 54 5.154 -7.745 4.543 166 HD22 LEU 54 HD22 LEU 54 4.699 -8.469 6.086 167 HD23 LEU 54 HD23 LEU 54 3.807 -7.079 5.467 168 H LEU 55 H LEU 55 6.001 -1.928 5.446 169 HA LEU 55 HA LEU 55 7.479 -1.830 2.926 170 HG LEU 55 HG LEU 55 4.236 -0.810 1.697 171 HB2 LEU 55 HB2 LEU 55 5.168 -0.252 4.002 172 HB3 LEU 55 HB3 LEU 55 6.081 0.310 2.615 173 HD11 LEU 55 HD11 LEU 55 5.199 -2.793 0.618 174 HD12 LEU 55 HD12 LEU 55 6.311 -1.423 0.628 175 HD13 LEU 55 HD13 LEU 55 6.538 -2.750 1.767 176 HD21 LEU 55 HD21 LEU 55 4.768 -3.095 3.593 177 HD22 LEU 55 HD22 LEU 55 3.447 -1.932 3.715 178 HD23 LEU 55 HD23 LEU 55 3.516 -3.049 2.351 179 H GLU 56 H GLU 56 7.940 -0.859 6.068 180 HA GLU 56 HA GLU 56 9.154 1.616 5.879 181 HB2 GLU 56 HB2 GLU 56 8.730 0.355 7.984 182 HB3 GLU 56 HB3 GLU 56 10.082 -0.695 7.595 183 HG2 GLU 56 HG2 GLU 56 11.601 1.208 7.704 184 HG3 GLU 56 HG3 GLU 56 10.244 2.272 8.074 185 HA PRO 57 HA PRO 57 13.321 -0.548 4.530 186 HB2 PRO 57 HB2 PRO 57 13.062 -3.045 3.471 187 HB3 PRO 57 HB3 PRO 57 13.438 -2.755 5.176 188 HG2 PRO 57 HG2 PRO 57 10.807 -3.364 3.880 189 HG3 PRO 57 HG3 PRO 57 11.504 -4.052 5.362 190 HD2 PRO 57 HD2 PRO 57 9.644 -2.127 5.441 191 HD3 PRO 57 HD3 PRO 57 10.973 -2.177 6.618 192 H ARG 58 H ARG 58 10.268 -0.819 2.976 193 HA ARG 58 HA ARG 58 11.353 -1.236 0.320 194 HE ARG 58 HE ARG 58 10.403 -5.286 0.459 195 HB2 ARG 58 HB2 ARG 58 8.593 -1.006 1.470 196 HB3 ARG 58 HB3 ARG 58 8.863 -1.032 -0.261 197 HG2 ARG 58 HG2 ARG 58 9.794 -3.180 1.627 198 HG3 ARG 58 HG3 ARG 58 8.266 -3.230 0.743 199 HD2 ARG 58 HD2 ARG 58 9.468 -3.164 -1.369 200 HD3 ARG 58 HD3 ARG 58 11.004 -3.047 -0.508 201 HH11 ARG 58 HH12 ARG 58 9.203 -4.254 -2.676 202 HH12 ARG 58 HH11 ARG 58 8.963 -5.881 -3.251 203 HH21 ARG 58 HH22 ARG 58 10.087 -7.395 -0.293 204 HH22 ARG 58 HH21 ARG 58 9.477 -7.670 -1.892 205 H LEU 59 H LEU 59 9.567 1.276 2.056 206 HA LEU 59 HA LEU 59 9.780 3.021 -0.277 207 HG LEU 59 HG LEU 59 7.288 1.647 0.817 208 HB2 LEU 59 HB2 LEU 59 8.299 3.366 2.331 209 HB3 LEU 59 HB3 LEU 59 8.259 4.500 0.995 210 HD11 LEU 59 HD11 LEU 59 5.708 4.195 1.131 211 HD12 LEU 59 HD12 LEU 59 5.045 2.578 0.899 212 HD13 LEU 59 HD13 LEU 59 5.929 2.967 2.377 213 HD21 LEU 59 HD21 LEU 59 6.264 2.394 -1.266 214 HD22 LEU 59 HD22 LEU 59 6.959 4.000 -1.040 215 HD23 LEU 59 HD23 LEU 59 8.014 2.613 -1.310 216 H GLN 60 H GLN 60 11.356 2.373 2.616 217 HA GLN 60 HA GLN 60 12.895 3.419 3.921 218 HB2 GLN 60 HB2 GLN 60 13.272 5.096 1.433 219 HB3 GLN 60 HB3 GLN 60 14.373 5.070 2.806 220 HG2 GLN 60 HG2 GLN 60 14.823 2.711 2.419 221 HG3 GLN 60 HG3 GLN 60 13.690 2.706 1.070 222 HE21 GLN 60 HE21 GLN 60 14.278 3.648 -0.868 223 HE22 GLN 60 HE22 GLN 60 15.917 4.082 -1.226 224 H CYS 61 H CYS 61 10.144 4.290 3.754 225 HA CYS 61 HA CYS 61 10.300 7.140 4.473 226 HG CYS 61 HG CYS 61 7.566 7.487 1.615 227 HB2 CYS 61 HB2 CYS 61 7.924 5.424 3.719 228 HB3 CYS 61 HB3 CYS 61 7.812 7.110 4.215 229 H SER 62 H SER 62 9.333 7.894 6.394 230 HA SER 62 HA SER 62 9.235 5.990 8.556 231 HG SER 62 HG SER 62 11.008 7.613 8.989 232 HB2 SER 62 HB2 SER 62 8.519 8.930 8.585 233 HB3 SER 62 HB3 SER 62 8.882 7.917 9.981 234 H LEU 63 H LEU 63 7.534 4.670 8.332 235 HA LEU 63 HA LEU 63 4.957 5.619 7.458 236 HG LEU 63 HG LEU 63 5.032 2.159 6.239 237 HB2 LEU 63 HB2 LEU 63 5.731 2.935 8.607 238 HB3 LEU 63 HB3 LEU 63 4.144 3.329 7.990 239 HD11 LEU 63 HD11 LEU 63 5.697 3.668 4.441 240 HD12 LEU 63 HD12 LEU 63 4.309 4.281 5.346 241 HD13 LEU 63 HD13 LEU 63 5.912 4.965 5.619 242 HD21 LEU 63 HD21 LEU 63 7.695 3.444 6.748 243 HD22 LEU 63 HD22 LEU 63 7.208 1.807 7.195 244 HD23 LEU 63 HD23 LEU 63 7.341 2.257 5.495 245 H ASP 64 H ASP 64 3.905 6.942 8.804 246 HA ASP 64 HA ASP 64 3.451 6.115 11.552 247 HB2 ASP 64 HB2 ASP 64 5.627 7.371 11.524 248 HB3 ASP 64 HB3 ASP 64 4.734 8.791 10.991 249 H ALA 65 H ALA 65 3.258 9.279 9.896 250 HA ALA 65 HA ALA 65 0.723 9.858 10.962 251 HB1 ALA 65 HB1 ALA 65 2.330 11.573 10.313 252 HB2 ALA 65 HB2 ALA 65 2.132 11.123 8.620 253 HB3 ALA 65 HB3 ALA 65 0.777 11.813 9.513 254 H HIS 66 H HIS 66 1.680 8.296 7.999 255 HA HIS 66 HA HIS 66 -0.927 8.611 6.838 256 HD2 HIS 66 HD2 HIS 66 2.684 7.974 3.643 257 HE1 HIS 66 HE1 HIS 66 4.829 6.891 7.106 258 HE2 HIS 66 HE2 HIS 66 5.008 7.845 4.771 259 HB2 HIS 66 HB2 HIS 66 0.156 6.810 5.186 260 HB3 HIS 66 HB3 HIS 66 0.356 8.549 5.013 261 H GLU 67 H GLU 67 -2.562 7.510 7.125 262 HA GLU 67 HA GLU 67 -2.591 5.101 8.681 263 HB2 GLU 67 HB2 GLU 67 -5.042 5.258 8.346 264 HB3 GLU 67 HB3 GLU 67 -4.357 6.769 8.928 265 HG2 GLU 67 HG2 GLU 67 -4.306 7.492 6.482 266 HG3 GLU 67 HG3 GLU 67 -5.348 6.107 6.177 267 H ILE 68 H ILE 68 -3.439 3.066 7.924 268 HA ILE 68 HA ILE 68 -2.593 2.515 5.207 269 HB ILE 68 HB ILE 68 -3.935 0.372 6.742 270 HG12 ILE 68 HG12 ILE 68 -2.581 1.642 8.466 271 HG13 ILE 68 HG13 ILE 68 -2.133 -0.046 8.248 272 HG21 ILE 68 HG21 ILE 68 -2.931 -0.040 4.579 273 HG22 ILE 68 HG22 ILE 68 -1.378 0.567 5.154 274 HG23 ILE 68 HG23 ILE 68 -2.048 -0.921 5.826 275 HD11 ILE 68 HD11 ILE 68 -0.167 1.297 8.474 276 HD12 ILE 68 HD12 ILE 68 -0.258 0.679 6.826 277 HD13 ILE 68 HD13 ILE 68 -0.688 2.356 7.162 278 H CYS 69 H CYS 69 -4.006 1.593 3.591 279 HA CYS 69 HA CYS 69 -6.838 1.981 3.982 280 HG CYS 69 HG CYS 69 -6.047 4.180 5.310 281 HB2 CYS 69 HB2 CYS 69 -5.153 3.856 2.314 282 HB3 CYS 69 HB3 CYS 69 -6.906 3.715 2.143 283 H LEU 70 H LEU 70 -7.974 1.714 1.812 284 HA LEU 70 HA LEU 70 -6.439 0.047 -0.027 285 HG LEU 70 HG LEU 70 -6.815 -2.041 -0.501 286 HB2 LEU 70 HB2 LEU 70 -7.714 -1.213 1.885 287 HB3 LEU 70 HB3 LEU 70 -9.121 -0.873 0.893 288 HD11 LEU 70 HD11 LEU 70 -6.764 -3.257 1.593 289 HD12 LEU 70 HD12 LEU 70 -8.487 -3.601 1.456 290 HD13 LEU 70 HD13 LEU 70 -7.355 -4.292 0.294 291 HD21 LEU 70 HD21 LEU 70 -8.612 -3.332 -1.584 292 HD22 LEU 70 HD22 LEU 70 -9.786 -2.591 -0.495 293 HD23 LEU 70 HD23 LEU 70 -8.911 -1.595 -1.658 294 H GLN 71 H GLN 71 -6.770 0.908 -1.947 295 HA GLN 71 HA GLN 71 -7.689 2.087 -3.651 296 HB2 GLN 71 HB2 GLN 71 -10.094 0.528 -2.688 297 HB3 GLN 71 HB3 GLN 71 -10.050 1.423 -4.205 298 HG2 GLN 71 HG2 GLN 71 -8.530 -0.012 -5.173 299 HG3 GLN 71 HG3 GLN 71 -7.926 -0.587 -3.622 300 HE21 GLN 71 HE21 GLN 71 -8.135 -2.715 -4.199 301 HE22 GLN 71 HE22 GLN 71 -9.661 -3.514 -4.300 302 H ASP 72 H ASP 72 -7.475 3.347 -1.142 303 HA ASP 72 HA ASP 72 -7.655 5.556 -0.612 304 HB2 ASP 72 HB2 ASP 72 -8.411 6.206 -2.823 305 HB3 ASP 72 HB3 ASP 72 -10.048 5.651 -2.466 306 H ILE 73 H ILE 73 -10.143 3.203 -0.242 307 HA ILE 73 HA ILE 73 -11.579 4.459 1.876 308 HB ILE 73 HB ILE 73 -11.062 1.511 1.888 309 HG12 ILE 73 HG12 ILE 73 -13.174 2.608 0.057 310 HG13 ILE 73 HG13 ILE 73 -11.528 2.350 -0.526 311 HG21 ILE 73 HG21 ILE 73 -13.521 3.182 2.381 312 HG22 ILE 73 HG22 ILE 73 -13.422 1.431 2.558 313 HG23 ILE 73 HG23 ILE 73 -12.465 2.480 3.605 314 HD11 ILE 73 HD11 ILE 73 -13.378 0.284 0.638 315 HD12 ILE 73 HD12 ILE 73 -12.844 0.416 -1.039 316 HD13 ILE 73 HD13 ILE 73 -11.682 -0.004 0.228 317 H GLN 74 H GLN 74 -11.102 4.373 4.105 318 HA GLN 74 HA GLN 74 -8.325 3.765 4.691 319 HB2 GLN 74 HB2 GLN 74 -9.460 4.550 7.093 320 HB3 GLN 74 HB3 GLN 74 -8.512 5.547 6.005 321 HG2 GLN 74 HG2 GLN 74 -11.464 5.278 5.629 322 HG3 GLN 74 HG3 GLN 74 -10.817 6.365 6.850 323 HE21 GLN 74 HE21 GLN 74 -8.467 7.115 5.234 324 HE22 GLN 74 HE22 GLN 74 -9.084 8.176 4.020 325 H LEU 75 H LEU 75 -7.631 2.341 6.219 326 HA LEU 75 HA LEU 75 -9.545 0.209 6.934 327 HG LEU 75 HG LEU 75 -8.457 0.085 4.311 328 HB2 LEU 75 HB2 LEU 75 -6.623 0.038 6.161 329 HB3 LEU 75 HB3 LEU 75 -7.540 -1.308 6.808 330 HD11 LEU 75 HD11 LEU 75 -6.534 -2.232 4.405 331 HD12 LEU 75 HD12 LEU 75 -7.229 -1.477 2.967 332 HD13 LEU 75 HD13 LEU 75 -6.094 -0.577 3.974 333 HD21 LEU 75 HD21 LEU 75 -9.389 -2.142 3.861 334 HD22 LEU 75 HD22 LEU 75 -8.754 -2.697 5.414 335 HD23 LEU 75 HD23 LEU 75 -9.998 -1.444 5.365 336 H ASP 76 H ASP 76 -8.376 -1.174 8.868 337 HA ASP 76 HA ASP 76 -7.340 0.828 10.727 338 HB2 ASP 76 HB2 ASP 76 -9.671 0.035 11.283 339 HB3 ASP 76 HB3 ASP 76 -9.004 -1.583 11.486 340 HA PRO 77 HA PRO 77 -3.619 -1.624 10.218 341 HB2 PRO 77 HB2 PRO 77 -3.194 -0.128 12.777 342 HB3 PRO 77 HB3 PRO 77 -2.094 -0.358 11.413 343 HG2 PRO 77 HG2 PRO 77 -3.412 1.934 11.736 344 HG3 PRO 77 HG3 PRO 77 -3.143 1.250 10.123 345 HD2 PRO 77 HD2 PRO 77 -5.637 1.394 11.719 346 HD3 PRO 77 HD3 PRO 77 -5.428 1.329 9.959 347 H ASP 78 H ASP 78 -5.619 -1.458 13.085 348 HA ASP 78 HA ASP 78 -4.240 -3.546 14.500 349 HB2 ASP 78 HB2 ASP 78 -6.795 -2.017 14.915 350 HB3 ASP 78 HB3 ASP 78 -6.302 -3.325 16.005 351 H ARG 79 H ARG 79 -6.386 -3.564 11.945 352 HA ARG 79 HA ARG 79 -7.577 -6.131 12.747 353 HE ARG 79 HE ARG 79 -11.071 -3.174 15.093 354 HB2 ARG 79 HB2 ARG 79 -8.837 -3.830 11.235 355 HB3 ARG 79 HB3 ARG 79 -9.597 -5.401 11.459 356 HG2 ARG 79 HG2 ARG 79 -9.599 -5.052 13.882 357 HG3 ARG 79 HG3 ARG 79 -8.809 -3.489 13.658 358 HD2 ARG 79 HD2 ARG 79 -10.791 -2.882 12.184 359 HD3 ARG 79 HD3 ARG 79 -11.576 -4.318 12.838 360 HH11 ARG 79 HH12 ARG 79 -11.919 -1.552 12.120 361 HH12 ARG 79 HH11 ARG 79 -12.633 -0.177 12.907 362 HH21 ARG 79 HH22 ARG 79 -11.978 -1.342 16.154 363 HH22 ARG 79 HH21 ARG 79 -12.654 -0.056 15.198 364 H SER 80 H SER 80 -8.162 -7.521 10.854 365 HA SER 80 HA SER 80 -5.996 -7.368 8.925 366 HG SER 80 HG SER 80 -8.619 -9.348 10.459 367 HB2 SER 80 HB2 SER 80 -6.540 -9.719 8.546 368 HB3 SER 80 HB3 SER 80 -6.365 -9.383 10.268 369 H LEU 81 H LEU 81 -6.522 -8.367 6.683 370 HA LEU 81 HA LEU 81 -8.535 -7.047 5.259 371 HG LEU 81 HG LEU 81 -7.433 -7.071 2.982 372 HB2 LEU 81 HB2 LEU 81 -6.881 -9.461 4.742 373 HB3 LEU 81 HB3 LEU 81 -8.302 -9.247 3.749 374 HD11 LEU 81 HD11 LEU 81 -4.946 -7.779 4.521 375 HD12 LEU 81 HD12 LEU 81 -5.168 -6.391 3.453 376 HD13 LEU 81 HD13 LEU 81 -6.089 -6.507 4.953 377 HD21 LEU 81 HD21 LEU 81 -5.620 -7.955 1.599 378 HD22 LEU 81 HD22 LEU 81 -5.515 -9.372 2.641 379 HD23 LEU 81 HD23 LEU 81 -6.972 -9.081 1.692 380 H PHE 82 H PHE 82 -8.562 -10.162 6.904 381 HA PHE 82 HA PHE 82 -11.235 -10.823 6.264 382 HD1 PHE 82 HD1 PHE 82 -12.378 -13.237 6.975 383 HD2 PHE 82 HD2 PHE 82 -8.146 -13.159 6.774 384 HE1 PHE 82 HE1 PHE 82 -12.427 -15.249 5.557 385 HE2 PHE 82 HE2 PHE 82 -8.175 -15.169 5.344 386 HZ PHE 82 HZ PHE 82 -10.316 -16.218 4.739 387 HB2 PHE 82 HB2 PHE 82 -9.265 -11.782 8.264 388 HB3 PHE 82 HB3 PHE 82 -10.960 -12.053 8.643 389 H ASP 83 H ASP 83 -9.918 -8.529 8.414 390 HA ASP 83 HA ASP 83 -12.516 -8.059 9.670 391 HB2 ASP 83 HB2 ASP 83 -9.817 -6.761 9.986 392 HB3 ASP 83 HB3 ASP 83 -11.262 -6.152 10.784 393 H GLN 84 H GLN 84 -10.722 -7.046 6.952 394 HA GLN 84 HA GLN 84 -12.543 -4.805 6.467 395 HB2 GLN 84 HB2 GLN 84 -9.582 -4.616 6.775 396 HB3 GLN 84 HB3 GLN 84 -10.375 -3.577 5.622 397 HG2 GLN 84 HG2 GLN 84 -10.455 -2.168 7.357 398 HG3 GLN 84 HG3 GLN 84 -11.906 -3.094 7.765 399 HE21 GLN 84 HE21 GLN 84 -8.605 -4.240 8.022 400 HE22 GLN 84 HE22 GLN 84 -8.584 -4.344 9.736 401 H GLY 85 H GLY 85 -13.445 -5.915 4.686 402 HA2 GLY 85 HA2 GLY 85 -13.402 -5.395 2.335 403 HA3 GLY 85 HA3 GLY 85 -11.664 -5.629 2.360 404 H VAL 86 H VAL 86 -10.895 -7.924 2.711 405 HA VAL 86 HA VAL 86 -12.669 -9.570 1.045 406 HB VAL 86 HB VAL 86 -10.733 -10.647 0.117 407 HG11 VAL 86 HG11 VAL 86 -10.402 -7.656 0.100 408 HG12 VAL 86 HG12 VAL 86 -9.705 -8.773 -1.072 409 HG13 VAL 86 HG13 VAL 86 -11.455 -8.596 -0.956 410 HG21 VAL 86 HG21 VAL 86 -8.440 -9.935 0.647 411 HG22 VAL 86 HG22 VAL 86 -9.074 -8.930 1.951 412 HG23 VAL 86 HG23 VAL 86 -9.253 -10.685 2.022 413 H LYS 87 H LYS 87 -13.189 -11.592 1.618 414 HA LYS 87 HA LYS 87 -11.775 -12.738 3.941 415 HB2 LYS 87 HB2 LYS 87 -14.548 -13.523 3.044 416 HB3 LYS 87 HB3 LYS 87 -13.770 -13.862 4.585 417 HG2 LYS 87 HG2 LYS 87 -14.571 -11.127 3.635 418 HG3 LYS 87 HG3 LYS 87 -15.527 -12.140 4.714 419 HD2 LYS 87 HD2 LYS 87 -14.102 -11.835 6.482 420 HD3 LYS 87 HD3 LYS 87 -12.683 -11.540 5.461 421 HE2 LYS 87 HE2 LYS 87 -13.422 -9.499 6.585 422 HE3 LYS 87 HE3 LYS 87 -13.605 -9.359 4.837 423 HZ1 LYS 87 HZ1 LYS 87 -15.980 -9.881 5.114 424 HZ2 LYS 87 HZ2 LYS 87 -15.528 -8.467 5.930 425 HZ3 LYS 87 HZ3 LYS 87 -15.772 -9.907 6.799 426 H THR 88 H THR 88 -10.232 -13.373 2.265 427 HA THR 88 HA THR 88 -11.219 -15.593 0.642 428 HB THR 88 HB THR 88 -10.356 -14.045 -0.868 429 HG1 THR 88 HG1 THR 88 -9.420 -15.772 -1.671 430 HG21 THR 88 HG21 THR 88 -8.110 -12.994 -0.659 431 HG22 THR 88 HG22 THR 88 -7.981 -13.684 0.958 432 HG23 THR 88 HG23 THR 88 -9.242 -12.505 0.599 433 H ASP 89 H ASP 89 -7.773 -15.215 1.221 434 HA ASP 89 HA ASP 89 -7.593 -16.815 3.519 435 HB2 ASP 89 HB2 ASP 89 -8.415 -18.673 2.365 436 HB3 ASP 89 HB3 ASP 89 -7.579 -18.242 0.880 437 H GLY 90 H GLY 90 -5.733 -16.321 4.363 438 HA2 GLY 90 HA2 GLY 90 -3.476 -16.814 4.609 439 HA3 GLY 90 HA3 GLY 90 -3.386 -17.153 2.891 440 H THR 91 H THR 91 -1.902 -15.952 2.031 441 HA THR 91 HA THR 91 -1.557 -13.175 2.933 442 HB THR 91 HB THR 91 0.413 -15.047 1.598 443 HG1 THR 91 HG1 THR 91 -0.267 -15.083 4.037 444 HG21 THR 91 HG21 THR 91 0.802 -12.723 0.924 445 HG22 THR 91 HG22 THR 91 2.085 -13.307 1.984 446 HG23 THR 91 HG23 THR 91 0.838 -12.235 2.620 447 H VAL 92 H VAL 92 -2.215 -11.658 1.545 448 HA VAL 92 HA VAL 92 -2.327 -12.316 -1.323 449 HB VAL 92 HB VAL 92 -3.782 -10.443 -1.647 450 HG11 VAL 92 HG11 VAL 92 -5.660 -11.054 -0.048 451 HG12 VAL 92 HG12 VAL 92 -4.986 -12.351 -1.037 452 HG13 VAL 92 HG13 VAL 92 -4.523 -12.205 0.654 453 HG21 VAL 92 HG21 VAL 92 -4.528 -9.004 0.203 454 HG22 VAL 92 HG22 VAL 92 -3.365 -9.798 1.269 455 HG23 VAL 92 HG23 VAL 92 -2.799 -8.856 -0.113 456 H GLN 93 H GLN 93 -1.665 -10.587 -2.809 457 HA GLN 93 HA GLN 93 0.720 -9.216 -1.795 458 HB2 GLN 93 HB2 GLN 93 0.677 -10.855 -3.843 459 HB3 GLN 93 HB3 GLN 93 -0.004 -9.483 -4.702 460 HG2 GLN 93 HG2 GLN 93 2.581 -9.292 -3.194 461 HG3 GLN 93 HG3 GLN 93 2.507 -9.866 -4.857 462 HE21 GLN 93 HE21 GLN 93 2.243 -7.151 -2.747 463 HE22 GLN 93 HE22 GLN 93 2.161 -5.935 -3.975 464 H LEU 94 H LEU 94 0.630 -7.122 -1.508 465 HA LEU 94 HA LEU 94 -1.828 -5.713 -2.310 466 HG LEU 94 HG LEU 94 -1.903 -5.153 1.300 467 HB2 LEU 94 HB2 LEU 94 0.193 -4.997 -0.186 468 HB3 LEU 94 HB3 LEU 94 -1.228 -4.053 -0.577 469 HD11 LEU 94 HD11 LEU 94 -3.564 -5.543 -0.336 470 HD12 LEU 94 HD12 LEU 94 -2.714 -6.963 -0.943 471 HD13 LEU 94 HD13 LEU 94 -3.425 -6.978 0.671 472 HD21 LEU 94 HD21 LEU 94 -0.484 -7.630 0.344 473 HD22 LEU 94 HD22 LEU 94 0.062 -6.532 1.610 474 HD23 LEU 94 HD23 LEU 94 -1.399 -7.491 1.847 475 H SER 95 H SER 95 -1.589 -4.552 -4.141 476 HA SER 95 HA SER 95 0.870 -3.052 -4.554 477 HG SER 95 HG SER 95 -0.875 -4.670 -7.114 478 HB2 SER 95 HB2 SER 95 -1.741 -3.047 -6.099 479 HB3 SER 95 HB3 SER 95 -0.302 -2.133 -6.553 480 H VAL 96 H VAL 96 0.654 -2.145 -2.472 481 HA VAL 96 HA VAL 96 -1.409 -0.170 -2.004 482 HB VAL 96 HB VAL 96 -0.926 -1.469 -0.123 483 HG11 VAL 96 HG11 VAL 96 2.003 -0.867 -0.544 484 HG12 VAL 96 HG12 VAL 96 1.329 -1.754 0.824 485 HG13 VAL 96 HG13 VAL 96 1.190 -2.413 -0.806 486 HG21 VAL 96 HG21 VAL 96 0.528 1.148 0.259 487 HG22 VAL 96 HG22 VAL 96 -1.206 0.875 0.428 488 HG23 VAL 96 HG23 VAL 96 -0.082 0.108 1.546 489 H GLN 97 H GLN 97 -1.263 1.944 -2.136 490 HA GLN 97 HA GLN 97 1.230 3.131 -3.156 491 HB2 GLN 97 HB2 GLN 97 -1.645 3.974 -3.530 492 HB3 GLN 97 HB3 GLN 97 -0.275 4.879 -4.107 493 HG2 GLN 97 HG2 GLN 97 0.261 2.574 -5.303 494 HG3 GLN 97 HG3 GLN 97 -1.486 2.401 -5.112 495 HE21 GLN 97 HE21 GLN 97 -2.866 3.871 -6.156 496 HE22 GLN 97 HE22 GLN 97 -2.330 4.810 -7.499 497 H VAL 98 H VAL 98 1.870 5.134 -2.383 498 HA VAL 98 HA VAL 98 0.743 5.973 0.181 499 HB VAL 98 HB VAL 98 3.103 7.007 -1.350 500 HG11 VAL 98 HG11 VAL 98 2.171 8.712 0.121 501 HG12 VAL 98 HG12 VAL 98 2.249 7.589 1.478 502 HG13 VAL 98 HG13 VAL 98 3.736 8.159 0.716 503 HG21 VAL 98 HG21 VAL 98 3.459 4.729 -0.609 504 HG22 VAL 98 HG22 VAL 98 4.478 5.846 0.297 505 HG23 VAL 98 HG23 VAL 98 3.018 5.188 1.034 506 H ILE 99 H ILE 99 -0.915 7.338 0.104 507 HA ILE 99 HA ILE 99 -1.067 9.301 -2.091 508 HB ILE 99 HB ILE 99 -3.296 8.768 -0.159 509 HG12 ILE 99 HG12 ILE 99 -2.955 7.315 -2.782 510 HG13 ILE 99 HG13 ILE 99 -2.626 6.594 -1.206 511 HG21 ILE 99 HG21 ILE 99 -3.177 9.787 -2.990 512 HG22 ILE 99 HG22 ILE 99 -4.658 9.545 -2.061 513 HG23 ILE 99 HG23 ILE 99 -3.471 10.735 -1.531 514 HD11 ILE 99 HD11 ILE 99 -4.952 6.957 -0.547 515 HD12 ILE 99 HD12 ILE 99 -5.279 7.677 -2.127 516 HD13 ILE 99 HD13 ILE 99 -4.826 5.975 -2.015 517 H SER 100 H SER 100 -0.122 11.221 -1.383 518 HA SER 100 HA SER 100 -1.821 12.407 0.698 519 HG SER 100 HG SER 100 -0.148 14.852 0.868 520 HB2 SER 100 HB2 SER 100 0.411 12.185 1.661 521 HB3 SER 100 HB3 SER 100 1.117 12.985 0.273 522 H TYR 101 H TYR 101 -3.239 13.178 -0.771 523 HA TYR 101 HA TYR 101 -2.410 14.586 -3.131 524 HD1 TYR 101 HD1 TYR 101 -3.350 14.448 -5.182 525 HD2 TYR 101 HD2 TYR 101 -5.777 11.854 -2.821 526 HE1 TYR 101 HE1 TYR 101 -3.462 12.847 -7.051 527 HE2 TYR 101 HE2 TYR 101 -5.882 10.258 -4.680 528 HH TYR 101 HH TYR 101 -5.688 10.375 -7.212 529 HB2 TYR 101 HB2 TYR 101 -5.033 13.853 -1.906 530 HB3 TYR 101 HB3 TYR 101 -4.999 15.169 -3.071 531 H GLN 102 H GLN 102 -3.994 16.676 -3.422 532 HA GLN 102 HA GLN 102 -2.778 18.809 -2.176 533 HB2 GLN 102 HB2 GLN 102 -4.051 19.080 -4.200 534 HB3 GLN 102 HB3 GLN 102 -5.528 18.575 -3.392 535 HG2 GLN 102 HG2 GLN 102 -4.914 20.643 -1.848 536 HG3 GLN 102 HG3 GLN 102 -4.126 21.167 -3.337 537 HE21 GLN 102 HE21 GLN 102 -7.141 20.301 -1.835 538 HE22 GLN 102 HE22 GLN 102 -8.173 21.010 -3.034 539 H GLY 103 H GLY 103 -2.640 18.916 -0.002 540 HA2 GLY 103 HA2 GLY 103 -3.278 19.166 2.195 541 HA3 GLY 103 HA3 GLY 103 -4.712 19.947 1.541 542 H MET 104 H MET 104 -3.670 16.588 1.177 543 HA MET 104 HA MET 104 -6.310 15.823 2.210 544 HB2 MET 104 HB2 MET 104 -4.625 14.809 -0.014 545 HB3 MET 104 HB3 MET 104 -5.577 13.628 0.877 546 HG2 MET 104 HG2 MET 104 -6.734 16.116 -0.353 547 HG3 MET 104 HG3 MET 104 -6.671 14.554 -1.168 548 HE1 MET 104 HE1 MET 104 -8.977 12.335 1.048 549 HE2 MET 104 HE2 MET 104 -8.069 12.440 -0.460 550 HE3 MET 104 HE3 MET 104 -7.220 12.478 1.086 551 H GLU 105 H GLU 105 -6.305 13.475 2.939 552 HA GLU 105 HA GLU 105 -4.560 13.260 5.189 553 HB2 GLU 105 HB2 GLU 105 -5.885 11.069 5.465 554 HB3 GLU 105 HB3 GLU 105 -6.779 12.581 5.583 555 HG2 GLU 105 HG2 GLU 105 -7.446 12.326 3.220 556 HG3 GLU 105 HG3 GLU 105 -6.625 10.770 3.184 557 HA PRO 106 HA PRO 106 -1.365 10.898 3.007 558 HB2 PRO 106 HB2 PRO 106 -0.201 10.203 5.456 559 HB3 PRO 106 HB3 PRO 106 0.249 11.586 4.457 560 HG2 PRO 106 HG2 PRO 106 -1.522 11.468 6.854 561 HG3 PRO 106 HG3 PRO 106 -0.395 12.741 6.349 562 HD2 PRO 106 HD2 PRO 106 -3.039 13.022 6.032 563 HD3 PRO 106 HD3 PRO 106 -1.896 13.635 4.819 564 H LYS 107 H LYS 107 -2.194 9.049 2.297 565 HA LYS 107 HA LYS 107 -2.947 6.971 4.252 566 HB2 LYS 107 HB2 LYS 107 -4.292 7.727 1.666 567 HB3 LYS 107 HB3 LYS 107 -4.560 6.183 2.456 568 HG2 LYS 107 HG2 LYS 107 -5.367 7.383 4.450 569 HG3 LYS 107 HG3 LYS 107 -5.199 8.900 3.568 570 HD2 LYS 107 HD2 LYS 107 -6.803 6.599 2.519 571 HD3 LYS 107 HD3 LYS 107 -7.505 7.815 3.598 572 HE2 LYS 107 HE2 LYS 107 -6.663 9.528 1.900 573 HE3 LYS 107 HE3 LYS 107 -6.430 8.155 0.815 574 HZ1 LYS 107 HZ1 LYS 107 -8.950 9.203 1.947 575 HZ2 LYS 107 HZ2 LYS 107 -8.849 7.610 1.377 576 HZ3 LYS 107 HZ3 LYS 107 -8.560 8.898 0.319 577 H LEU 108 H LEU 108 -2.251 4.910 3.840 578 HA LEU 108 HA LEU 108 -0.771 4.476 1.325 579 HG LEU 108 HG LEU 108 1.836 3.280 2.914 580 HB2 LEU 108 HB2 LEU 108 -0.788 3.022 3.968 581 HB3 LEU 108 HB3 LEU 108 -0.113 2.295 2.529 582 HD11 LEU 108 HD11 LEU 108 2.139 5.689 2.995 583 HD12 LEU 108 HD12 LEU 108 1.054 5.223 1.683 584 HD13 LEU 108 HD13 LEU 108 0.397 5.910 3.169 585 HD21 LEU 108 HD21 LEU 108 0.504 4.527 5.309 586 HD22 LEU 108 HD22 LEU 108 1.234 2.920 5.242 587 HD23 LEU 108 HD23 LEU 108 2.243 4.354 5.054 588 H ASN 109 H ASN 109 -2.257 3.820 -0.221 589 HA ASN 109 HA ASN 109 -4.462 2.108 0.759 590 HB2 ASN 109 HB2 ASN 109 -5.627 2.616 -1.361 591 HB3 ASN 109 HB3 ASN 109 -5.372 4.018 -0.364 592 HD21 ASN 109 HD21 ASN 109 -5.962 4.010 -3.124 593 HD22 ASN 109 HD22 ASN 109 -4.614 4.691 -3.965 594 H ILE 110 H ILE 110 -4.489 0.072 0.311 595 HA ILE 110 HA ILE 110 -2.871 -1.082 -1.750 596 HB ILE 110 HB ILE 110 -5.222 -2.260 -0.261 597 HG12 ILE 110 HG12 ILE 110 -2.293 -2.702 0.313 598 HG13 ILE 110 HG13 ILE 110 -3.215 -1.424 1.100 599 HG21 ILE 110 HG21 ILE 110 -3.000 -3.710 -1.670 600 HG22 ILE 110 HG22 ILE 110 -4.487 -4.379 -0.998 601 HG23 ILE 110 HG23 ILE 110 -4.554 -3.344 -2.420 602 HD11 ILE 110 HD11 ILE 110 -3.021 -3.430 2.473 603 HD12 ILE 110 HD12 ILE 110 -4.699 -3.059 2.070 604 HD13 ILE 110 HD13 ILE 110 -3.857 -4.359 1.224 605 H LEU 111 H LEU 111 -3.349 -0.985 -3.849 606 HA LEU 111 HA LEU 111 -6.111 -0.381 -4.599 607 HG LEU 111 HG LEU 111 -4.273 2.023 -6.688 608 HB2 LEU 111 HB2 LEU 111 -3.526 -0.303 -6.149 609 HB3 LEU 111 HB3 LEU 111 -5.088 -0.184 -6.936 610 HD11 LEU 111 HD11 LEU 111 -6.266 1.469 -4.502 611 HD12 LEU 111 HD12 LEU 111 -5.926 3.053 -5.198 612 HD13 LEU 111 HD13 LEU 111 -6.635 1.784 -6.197 613 HD21 LEU 111 HD21 LEU 111 -3.780 1.318 -3.809 614 HD22 LEU 111 HD22 LEU 111 -2.566 1.637 -5.049 615 HD23 LEU 111 HD23 LEU 111 -3.626 2.935 -4.496 616 H GLU 112 H GLU 112 -4.254 -3.074 -4.044 617 HA GLU 112 HA GLU 112 -5.729 -4.686 -5.933 618 HB2 GLU 112 HB2 GLU 112 -3.951 -3.807 -7.336 619 HB3 GLU 112 HB3 GLU 112 -2.743 -4.306 -6.162 620 HG2 GLU 112 HG2 GLU 112 -3.186 -6.605 -6.595 621 HG3 GLU 112 HG3 GLU 112 -4.555 -6.196 -7.631 622 H ILE 113 H ILE 113 -6.308 -6.323 -4.766 623 HA ILE 113 HA ILE 113 -4.374 -7.501 -2.892 624 HB ILE 113 HB ILE 113 -7.389 -7.449 -2.816 625 HG12 ILE 113 HG12 ILE 113 -5.200 -6.510 -0.967 626 HG13 ILE 113 HG13 ILE 113 -6.414 -5.531 -1.783 627 HG21 ILE 113 HG21 ILE 113 -5.527 -9.163 -1.189 628 HG22 ILE 113 HG22 ILE 113 -7.247 -8.936 -0.865 629 HG23 ILE 113 HG23 ILE 113 -6.726 -9.717 -2.359 630 HD11 ILE 113 HD11 ILE 113 -6.893 -5.813 0.587 631 HD12 ILE 113 HD12 ILE 113 -8.150 -6.527 -0.423 632 HD13 ILE 113 HD13 ILE 113 -6.952 -7.563 0.356 633 H VAL 114 H VAL 114 -3.504 -9.326 -3.680 634 HA VAL 114 HA VAL 114 -5.315 -11.154 -5.041 635 HB VAL 114 HB VAL 114 -3.335 -11.821 -6.520 636 HG11 VAL 114 HG11 VAL 114 -5.291 -10.659 -7.390 637 HG12 VAL 114 HG12 VAL 114 -4.595 -9.109 -6.918 638 HG13 VAL 114 HG13 VAL 114 -3.821 -10.078 -8.172 639 HG21 VAL 114 HG21 VAL 114 -1.675 -10.071 -6.961 640 HG22 VAL 114 HG22 VAL 114 -2.362 -9.093 -5.662 641 HG23 VAL 114 HG23 VAL 114 -1.592 -10.636 -5.291 642 H LYS 115 H LYS 115 -5.472 -12.793 -3.688 643 HA LYS 115 HA LYS 115 -3.512 -13.441 -1.791 644 HB2 LYS 115 HB2 LYS 115 -4.829 -15.325 -1.151 645 HB3 LYS 115 HB3 LYS 115 -5.931 -14.006 -1.505 646 HG2 LYS 115 HG2 LYS 115 -6.874 -15.084 -3.239 647 HG3 LYS 115 HG3 LYS 115 -5.361 -15.847 -3.733 648 HD2 LYS 115 HD2 LYS 115 -6.987 -16.660 -1.322 649 HD3 LYS 115 HD3 LYS 115 -7.050 -17.459 -2.894 650 HE2 LYS 115 HE2 LYS 115 -4.654 -17.970 -2.722 651 HE3 LYS 115 HE3 LYS 115 -4.606 -17.190 -1.143 652 HZ1 LYS 115 HZ1 LYS 115 -4.854 -19.737 -1.287 653 HZ2 LYS 115 HZ2 LYS 115 -6.482 -19.410 -1.626 654 HZ3 LYS 115 HZ3 LYS 115 -5.795 -18.886 -0.169 655 H THR 116 H THR 116 -1.854 -14.571 -1.876 656 HA THR 116 HA THR 116 -0.101 -15.778 -2.599 657 HB THR 116 HB THR 116 -2.057 -17.205 -4.402 658 HG1 THR 116 HG1 THR 116 -2.309 -18.637 -2.669 659 HG21 THR 116 HG21 THR 116 -0.408 -19.007 -4.251 660 HG22 THR 116 HG22 THR 116 0.624 -17.958 -3.275 661 HG23 THR 116 HG23 THR 116 0.277 -17.539 -4.951 662 H ALA 117 H ALA 117 -1.971 -15.709 -5.623 663 HA ALA 117 HA ALA 117 -0.138 -13.754 -6.737 664 HB1 ALA 117 HB1 ALA 117 0.968 -15.859 -7.253 665 HB2 ALA 117 HB2 ALA 117 -0.512 -16.479 -7.985 666 HB3 ALA 117 HB3 ALA 117 0.336 -15.120 -8.722 667 H GLU 118 H GLU 118 -2.345 -16.035 -8.335 668 HA GLU 118 HA GLU 118 -4.272 -13.866 -8.656 669 HB2 GLU 118 HB2 GLU 118 -4.516 -14.700 -11.110 670 HB3 GLU 118 HB3 GLU 118 -3.240 -13.569 -10.687 671 HG2 GLU 118 HG2 GLU 118 -1.767 -15.644 -10.391 672 HG3 GLU 118 HG3 GLU 118 -3.035 -16.489 -11.286 673 H THR 119 H THR 119 -5.611 -14.956 -7.203 674 HA THR 119 HA THR 119 -7.307 -16.842 -8.523 675 HB THR 119 HB THR 119 -5.742 -18.433 -7.644 676 HG1 THR 119 HG1 THR 119 -8.263 -18.558 -7.251 677 HG21 THR 119 HG21 THR 119 -4.756 -17.129 -5.848 678 HG22 THR 119 HG22 THR 119 -5.341 -18.674 -5.229 679 HG23 THR 119 HG23 THR 119 -6.267 -17.199 -4.942 680 H VAL 120 H VAL 120 -6.646 -14.729 -5.871 681 HA VAL 120 HA VAL 120 -9.165 -14.897 -4.595 682 HB VAL 120 HB VAL 120 -7.148 -13.761 -3.657 683 HG11 VAL 120 HG11 VAL 120 -6.700 -11.451 -4.299 684 HG12 VAL 120 HG12 VAL 120 -6.483 -12.548 -5.661 685 HG13 VAL 120 HG13 VAL 120 -7.936 -11.556 -5.553 686 HG21 VAL 120 HG21 VAL 120 -9.499 -13.417 -2.811 687 HG22 VAL 120 HG22 VAL 120 -8.345 -12.139 -2.423 688 HG23 VAL 120 HG23 VAL 120 -9.508 -11.910 -3.721 689 H GLU 121 H GLU 121 -11.066 -13.846 -4.921 690 HA GLU 121 HA GLU 121 -11.326 -12.001 -7.182 691 HB2 GLU 121 HB2 GLU 121 -12.983 -14.489 -6.710 692 HB3 GLU 121 HB3 GLU 121 -13.475 -13.190 -7.789 693 HG2 GLU 121 HG2 GLU 121 -10.939 -14.793 -8.081 694 HG3 GLU 121 HG3 GLU 121 -12.442 -15.104 -8.954 695 H TRP 122 H TRP 122 -11.177 -11.379 -4.494 696 HA TRP 122 HA TRP 122 -12.160 -10.504 -2.667 697 HD1 TRP 122 HD1 TRP 122 -14.374 -7.253 -2.256 698 HE1 TRP 122 HE1 TRP 122 -12.582 -5.407 -2.188 699 HE3 TRP 122 HE3 TRP 122 -10.851 -9.440 -5.234 700 HZ2 TRP 122 HZ2 TRP 122 -10.002 -4.953 -3.257 701 HZ3 TRP 122 HZ3 TRP 122 -8.752 -8.257 -5.656 702 HH2 TRP 122 HH2 TRP 122 -8.332 -6.049 -4.688 703 HB2 TRP 122 HB2 TRP 122 -13.826 -9.600 -4.918 704 HB3 TRP 122 HB3 TRP 122 -14.623 -9.540 -3.349 Start of MODEL 9 1 HA MET 34 HA MET 34 4.197 11.853 -5.455 2 H1 MET 34 H1 MET 34 3.916 10.203 -7.900 3 H2 MET 34 H2 MET 34 5.144 10.093 -6.736 4 H3 MET 34 H3 MET 34 5.015 11.481 -7.706 5 HB2 MET 34 HB2 MET 34 2.037 11.894 -7.579 6 HB3 MET 34 HB3 MET 34 1.988 12.788 -6.065 7 HG2 MET 34 HG2 MET 34 4.039 13.989 -6.777 8 HG3 MET 34 HG3 MET 34 3.928 13.167 -8.331 9 HE1 MET 34 HE1 MET 34 0.905 16.268 -6.748 10 HE2 MET 34 HE2 MET 34 1.061 14.662 -6.035 11 HE3 MET 34 HE3 MET 34 2.398 15.806 -5.928 12 H ALA 35 H ALA 35 2.023 9.646 -7.246 13 HA ALA 35 HA ALA 35 1.101 8.518 -4.723 14 HB1 ALA 35 HB1 ALA 35 -0.412 7.185 -6.094 15 HB2 ALA 35 HB2 ALA 35 -0.525 8.894 -6.519 16 HB3 ALA 35 HB3 ALA 35 0.369 7.784 -7.558 17 H GLU 36 H GLU 36 3.461 7.978 -4.398 18 HA GLU 36 HA GLU 36 4.882 6.093 -5.831 19 HB2 GLU 36 HB2 GLU 36 4.902 7.068 -3.028 20 HB3 GLU 36 HB3 GLU 36 5.772 5.579 -3.355 21 HG2 GLU 36 HG2 GLU 36 7.277 7.447 -3.488 22 HG3 GLU 36 HG3 GLU 36 7.076 6.729 -5.083 23 H CYS 37 H CYS 37 4.691 4.009 -6.184 24 HA CYS 37 HA CYS 37 2.675 2.514 -4.639 25 HG CYS 37 HG CYS 37 1.910 4.396 -6.786 26 HB2 CYS 37 HB2 CYS 37 3.743 1.743 -7.350 27 HB3 CYS 37 HB3 CYS 37 2.251 1.222 -6.574 28 H VAL 38 H VAL 38 3.223 0.618 -3.661 29 HA VAL 38 HA VAL 38 5.859 -0.528 -4.268 30 HB VAL 38 HB VAL 38 6.077 0.763 -2.179 31 HG11 VAL 38 HG11 VAL 38 3.794 0.671 -1.381 32 HG12 VAL 38 HG12 VAL 38 3.933 -1.067 -1.119 33 HG13 VAL 38 HG13 VAL 38 4.898 0.050 -0.154 34 HG21 VAL 38 HG21 VAL 38 6.170 -2.226 -1.809 35 HG22 VAL 38 HG22 VAL 38 7.454 -1.199 -2.445 36 HG23 VAL 38 HG23 VAL 38 6.958 -1.047 -0.760 37 H SER 39 H SER 39 5.950 -2.765 -4.243 38 HA SER 39 HA SER 39 3.333 -4.068 -3.948 39 HG SER 39 HG SER 39 6.527 -4.380 -5.112 40 HB2 SER 39 HB2 SER 39 4.266 -5.821 -5.481 41 HB3 SER 39 HB3 SER 39 4.117 -4.229 -6.223 42 H GLN 40 H GLN 40 3.112 -5.187 -2.172 43 HA GLN 40 HA GLN 40 5.222 -6.932 -1.219 44 HB2 GLN 40 HB2 GLN 40 4.672 -4.361 -0.020 45 HB3 GLN 40 HB3 GLN 40 4.351 -5.659 1.121 46 HG2 GLN 40 HG2 GLN 40 6.901 -5.681 -0.416 47 HG3 GLN 40 HG3 GLN 40 6.724 -4.576 0.947 48 HE21 GLN 40 HE21 GLN 40 5.009 -6.338 2.450 49 HE22 GLN 40 HE22 GLN 40 6.010 -7.608 3.056 50 H ALA 41 H ALA 41 4.425 -8.395 0.455 51 HA ALA 41 HA ALA 41 1.498 -8.719 0.261 52 HB1 ALA 41 HB1 ALA 41 1.899 -11.120 0.209 53 HB2 ALA 41 HB2 ALA 41 2.714 -10.297 -1.121 54 HB3 ALA 41 HB3 ALA 41 3.639 -10.831 0.282 55 H ILE 42 H ILE 42 0.505 -9.916 2.047 56 HA ILE 42 HA ILE 42 1.915 -10.068 4.545 57 HB ILE 42 HB ILE 42 0.990 -8.388 5.805 58 HG12 ILE 42 HG12 ILE 42 -1.262 -8.161 3.801 59 HG13 ILE 42 HG13 ILE 42 -1.337 -8.927 5.375 60 HG21 ILE 42 HG21 ILE 42 1.065 -6.250 4.626 61 HG22 ILE 42 HG22 ILE 42 2.398 -7.302 4.154 62 HG23 ILE 42 HG23 ILE 42 1.012 -7.102 3.082 63 HD11 ILE 42 HD11 ILE 42 -2.388 -6.789 5.505 64 HD12 ILE 42 HD12 ILE 42 -0.881 -6.741 6.425 65 HD13 ILE 42 HD13 ILE 42 -0.964 -5.998 4.826 66 H ASP 43 H ASP 43 0.336 -10.607 6.345 67 HA ASP 43 HA ASP 43 -1.389 -12.759 5.640 68 HB2 ASP 43 HB2 ASP 43 -0.969 -11.144 8.161 69 HB3 ASP 43 HB3 ASP 43 -2.059 -12.517 8.094 70 H ILE 44 H ILE 44 -3.636 -12.754 5.217 71 HA ILE 44 HA ILE 44 -4.952 -10.142 5.398 72 HB ILE 44 HB ILE 44 -6.548 -10.871 3.928 73 HG12 ILE 44 HG12 ILE 44 -6.104 -13.788 4.539 74 HG13 ILE 44 HG13 ILE 44 -7.172 -12.795 5.521 75 HG21 ILE 44 HG21 ILE 44 -5.558 -12.321 2.213 76 HG22 ILE 44 HG22 ILE 44 -4.424 -11.094 2.781 77 HG23 ILE 44 HG23 ILE 44 -4.280 -12.760 3.344 78 HD11 ILE 44 HD11 ILE 44 -7.446 -13.252 2.565 79 HD12 ILE 44 HD12 ILE 44 -8.396 -14.034 3.829 80 HD13 ILE 44 HD13 ILE 44 -8.526 -12.291 3.579 81 H ASN 45 H ASN 45 -4.688 -13.189 6.888 82 HA ASN 45 HA ASN 45 -7.190 -13.140 8.310 83 HB2 ASN 45 HB2 ASN 45 -4.834 -14.733 9.283 84 HB3 ASN 45 HB3 ASN 45 -6.518 -15.216 9.126 85 HD21 ASN 45 HD21 ASN 45 -7.218 -16.112 7.190 86 HD22 ASN 45 HD22 ASN 45 -6.123 -16.601 5.950 87 H GLU 46 H GLU 46 -4.168 -11.656 8.541 88 HA GLU 46 HA GLU 46 -4.492 -10.999 11.369 89 HB2 GLU 46 HB2 GLU 46 -1.960 -11.624 9.851 90 HB3 GLU 46 HB3 GLU 46 -1.971 -10.881 11.445 91 HG2 GLU 46 HG2 GLU 46 -3.347 -12.906 12.182 92 HG3 GLU 46 HG3 GLU 46 -2.852 -13.638 10.659 93 HA PRO 47 HA PRO 47 -4.470 -6.764 10.976 94 HB2 PRO 47 HB2 PRO 47 -1.926 -5.753 11.473 95 HB3 PRO 47 HB3 PRO 47 -3.130 -6.172 12.697 96 HG2 PRO 47 HG2 PRO 47 -0.852 -7.817 11.642 97 HG3 PRO 47 HG3 PRO 47 -1.387 -7.593 13.323 98 HD2 PRO 47 HD2 PRO 47 -2.029 -9.793 12.046 99 HD3 PRO 47 HD3 PRO 47 -3.267 -8.971 13.012 100 H ILE 48 H ILE 48 -4.635 -5.425 9.290 101 HA ILE 48 HA ILE 48 -2.923 -5.781 6.987 102 HB ILE 48 HB ILE 48 -4.455 -4.580 5.758 103 HG12 ILE 48 HG12 ILE 48 -6.151 -3.055 7.251 104 HG13 ILE 48 HG13 ILE 48 -4.646 -2.869 8.146 105 HG21 ILE 48 HG21 ILE 48 -6.705 -5.129 6.495 106 HG22 ILE 48 HG22 ILE 48 -5.591 -6.472 6.745 107 HG23 ILE 48 HG23 ILE 48 -6.091 -5.476 8.112 108 HD11 ILE 48 HD11 ILE 48 -3.529 -2.114 6.140 109 HD12 ILE 48 HD12 ILE 48 -5.021 -2.327 5.220 110 HD13 ILE 48 HD13 ILE 48 -4.939 -1.118 6.501 111 H GLY 49 H GLY 49 -2.925 -3.856 9.769 112 HA2 GLY 49 HA2 GLY 49 -1.743 -1.523 8.545 113 HA3 GLY 49 HA3 GLY 49 -2.025 -1.761 10.260 114 H ASN 50 H ASN 50 -0.450 -4.461 9.042 115 HA ASN 50 HA ASN 50 1.964 -3.751 10.359 116 HB2 ASN 50 HB2 ASN 50 2.764 -5.971 9.612 117 HB3 ASN 50 HB3 ASN 50 1.194 -6.062 10.390 118 HD21 ASN 50 HD21 ASN 50 0.538 -7.962 9.450 119 HD22 ASN 50 HD22 ASN 50 0.219 -8.102 7.756 120 H LEU 51 H LEU 51 0.742 -2.879 7.450 121 HA LEU 51 HA LEU 51 2.907 -3.005 5.685 122 HG LEU 51 HG LEU 51 1.606 -2.749 3.487 123 HB2 LEU 51 HB2 LEU 51 0.445 -1.360 5.902 124 HB3 LEU 51 HB3 LEU 51 1.712 -0.764 4.851 125 HD11 LEU 51 HD11 LEU 51 -0.479 -3.742 5.415 126 HD12 LEU 51 HD12 LEU 51 -0.009 -4.521 3.904 127 HD13 LEU 51 HD13 LEU 51 1.152 -4.387 5.223 128 HD21 LEU 51 HD21 LEU 51 -0.598 -2.500 2.556 129 HD22 LEU 51 HD22 LEU 51 -1.186 -1.779 4.055 130 HD23 LEU 51 HD23 LEU 51 -0.001 -0.922 3.072 131 H LYS 52 H LYS 52 2.323 -0.951 8.414 132 HA LYS 52 HA LYS 52 4.075 1.167 7.653 133 HB2 LYS 52 HB2 LYS 52 2.979 0.293 10.325 134 HB3 LYS 52 HB3 LYS 52 4.116 1.620 10.175 135 HG2 LYS 52 HG2 LYS 52 2.430 2.706 8.584 136 HG3 LYS 52 HG3 LYS 52 1.295 1.462 9.148 137 HD2 LYS 52 HD2 LYS 52 1.529 2.180 11.426 138 HD3 LYS 52 HD3 LYS 52 2.824 3.293 10.993 139 HE2 LYS 52 HE2 LYS 52 0.955 4.659 11.247 140 HE3 LYS 52 HE3 LYS 52 1.102 4.439 9.505 141 HZ1 LYS 52 HZ1 LYS 52 -0.706 2.817 11.210 142 HZ2 LYS 52 HZ2 LYS 52 -0.683 2.909 9.516 143 HZ3 LYS 52 HZ3 LYS 52 -1.185 4.243 10.428 144 H LYS 53 H LYS 53 4.442 -1.971 9.052 145 HA LYS 53 HA LYS 53 7.193 -1.516 9.864 146 HB2 LYS 53 HB2 LYS 53 5.408 -3.945 9.950 147 HB3 LYS 53 HB3 LYS 53 7.092 -3.970 10.447 148 HG2 LYS 53 HG2 LYS 53 6.623 -2.332 12.178 149 HG3 LYS 53 HG3 LYS 53 4.935 -2.262 11.668 150 HD2 LYS 53 HD2 LYS 53 4.569 -4.532 12.308 151 HD3 LYS 53 HD3 LYS 53 6.293 -4.795 12.577 152 HE2 LYS 53 HE2 LYS 53 4.543 -2.910 14.155 153 HE3 LYS 53 HE3 LYS 53 5.044 -4.516 14.681 154 HZ1 LYS 53 HZ1 LYS 53 7.385 -3.708 14.446 155 HZ2 LYS 53 HZ2 LYS 53 6.496 -2.968 15.685 156 HZ3 LYS 53 HZ3 LYS 53 6.764 -2.141 14.229 157 H LEU 54 H LEU 54 5.426 -3.525 7.517 158 HA LEU 54 HA LEU 54 7.780 -4.793 6.546 159 HG LEU 54 HG LEU 54 6.729 -7.034 6.452 160 HB2 LEU 54 HB2 LEU 54 4.916 -4.745 5.677 161 HB3 LEU 54 HB3 LEU 54 6.129 -5.446 4.629 162 HD11 LEU 54 HD11 LEU 54 5.170 -7.328 8.315 163 HD12 LEU 54 HD12 LEU 54 5.981 -5.762 8.377 164 HD13 LEU 54 HD13 LEU 54 4.310 -5.870 7.819 165 HD21 LEU 54 HD21 LEU 54 3.852 -7.030 5.559 166 HD22 LEU 54 HD22 LEU 54 5.224 -7.705 4.681 167 HD23 LEU 54 HD23 LEU 54 4.719 -8.423 6.209 168 H LEU 55 H LEU 55 6.028 -1.919 5.618 169 HA LEU 55 HA LEU 55 7.462 -1.853 3.079 170 HG LEU 55 HG LEU 55 4.177 -1.016 1.851 171 HB2 LEU 55 HB2 LEU 55 5.100 -0.338 4.119 172 HB3 LEU 55 HB3 LEU 55 5.981 0.215 2.707 173 HD11 LEU 55 HD11 LEU 55 6.283 -1.557 0.784 174 HD12 LEU 55 HD12 LEU 55 6.561 -2.855 1.946 175 HD13 LEU 55 HD13 LEU 55 5.220 -2.963 0.804 176 HD21 LEU 55 HD21 LEU 55 3.575 -3.267 2.582 177 HD22 LEU 55 HD22 LEU 55 4.845 -3.215 3.805 178 HD23 LEU 55 HD23 LEU 55 3.470 -2.115 3.912 179 H GLU 56 H GLU 56 7.965 -0.731 6.173 180 HA GLU 56 HA GLU 56 9.025 1.800 5.813 181 HB2 GLU 56 HB2 GLU 56 8.848 0.672 8.013 182 HB3 GLU 56 HB3 GLU 56 10.216 -0.347 7.578 183 HG2 GLU 56 HG2 GLU 56 11.547 1.761 7.265 184 HG3 GLU 56 HG3 GLU 56 10.195 2.629 7.990 185 HA PRO 57 HA PRO 57 13.300 -0.181 4.530 186 HB2 PRO 57 HB2 PRO 57 13.138 -2.724 3.509 187 HB3 PRO 57 HB3 PRO 57 13.585 -2.357 5.180 188 HG2 PRO 57 HG2 PRO 57 10.955 -3.215 4.054 189 HG3 PRO 57 HG3 PRO 57 11.749 -3.721 5.557 190 HD2 PRO 57 HD2 PRO 57 9.738 -1.936 5.526 191 HD3 PRO 57 HD3 PRO 57 11.076 -1.824 6.689 192 H ARG 58 H ARG 58 10.302 -0.921 2.939 193 HA ARG 58 HA ARG 58 11.451 -1.103 0.304 194 HE ARG 58 HE ARG 58 12.321 -2.242 0.536 195 HB2 ARG 58 HB2 ARG 58 8.764 -1.408 1.506 196 HB3 ARG 58 HB3 ARG 58 8.829 -0.953 -0.186 197 HG2 ARG 58 HG2 ARG 58 8.672 -3.451 0.467 198 HG3 ARG 58 HG3 ARG 58 9.758 -2.962 -0.830 199 HD2 ARG 58 HD2 ARG 58 10.701 -3.262 2.008 200 HD3 ARG 58 HD3 ARG 58 10.629 -4.634 0.901 201 HH11 ARG 58 HH12 ARG 58 11.585 -5.599 -0.125 202 HH12 ARG 58 HH11 ARG 58 13.062 -5.872 -0.999 203 HH21 ARG 58 HH22 ARG 58 14.266 -2.602 -0.617 204 HH22 ARG 58 HH21 ARG 58 14.575 -4.183 -1.287 205 H LEU 59 H LEU 59 9.465 1.236 2.071 206 HA LEU 59 HA LEU 59 9.561 3.029 -0.235 207 HG LEU 59 HG LEU 59 7.149 1.517 0.852 208 HB2 LEU 59 HB2 LEU 59 8.078 3.252 2.384 209 HB3 LEU 59 HB3 LEU 59 7.974 4.411 1.072 210 HD11 LEU 59 HD11 LEU 59 5.714 2.718 2.417 211 HD12 LEU 59 HD12 LEU 59 5.452 3.983 1.217 212 HD13 LEU 59 HD13 LEU 59 4.856 2.351 0.921 213 HD21 LEU 59 HD21 LEU 59 6.109 2.220 -1.235 214 HD22 LEU 59 HD22 LEU 59 6.708 3.863 -0.994 215 HD23 LEU 59 HD23 LEU 59 7.843 2.539 -1.262 216 H GLN 60 H GLN 60 11.125 2.473 2.698 217 HA GLN 60 HA GLN 60 12.540 3.605 4.057 218 HB2 GLN 60 HB2 GLN 60 13.101 5.039 1.461 219 HB3 GLN 60 HB3 GLN 60 14.070 5.227 2.918 220 HG2 GLN 60 HG2 GLN 60 14.584 2.841 2.889 221 HG3 GLN 60 HG3 GLN 60 13.615 2.651 1.429 222 HE21 GLN 60 HE21 GLN 60 16.461 2.144 1.935 223 HE22 GLN 60 HE22 GLN 60 17.315 3.084 0.750 224 H CYS 61 H CYS 61 9.863 4.439 3.854 225 HA CYS 61 HA CYS 61 10.018 7.327 4.449 226 HG CYS 61 HG CYS 61 9.752 6.358 1.614 227 HB2 CYS 61 HB2 CYS 61 7.598 5.673 3.687 228 HB3 CYS 61 HB3 CYS 61 7.607 7.407 3.984 229 H SER 62 H SER 62 9.069 8.133 6.332 230 HA SER 62 HA SER 62 8.860 6.316 8.545 231 HG SER 62 HG SER 62 10.564 7.939 8.801 232 HB2 SER 62 HB2 SER 62 8.093 9.244 8.399 233 HB3 SER 62 HB3 SER 62 8.404 8.307 9.863 234 H LEU 63 H LEU 63 7.173 4.931 8.214 235 HA LEU 63 HA LEU 63 4.737 5.649 6.943 236 HG LEU 63 HG LEU 63 4.891 2.087 6.322 237 HB2 LEU 63 HB2 LEU 63 5.516 3.233 8.552 238 HB3 LEU 63 HB3 LEU 63 3.907 3.423 7.887 239 HD11 LEU 63 HD11 LEU 63 5.434 3.355 4.336 240 HD12 LEU 63 HD12 LEU 63 4.057 4.067 5.181 241 HD13 LEU 63 HD13 LEU 63 5.651 4.812 5.309 242 HD21 LEU 63 HD21 LEU 63 7.063 2.008 7.342 243 HD22 LEU 63 HD22 LEU 63 7.203 2.231 5.598 244 HD23 LEU 63 HD23 LEU 63 7.456 3.599 6.683 245 H ASP 64 H ASP 64 5.702 6.633 9.867 246 HA ASP 64 HA ASP 64 3.824 5.866 11.745 247 HB2 ASP 64 HB2 ASP 64 5.180 8.560 11.565 248 HB3 ASP 64 HB3 ASP 64 4.514 7.813 13.015 249 H ALA 65 H ALA 65 3.799 9.060 10.103 250 HA ALA 65 HA ALA 65 1.279 9.770 11.048 251 HB1 ALA 65 HB1 ALA 65 2.694 10.800 8.599 252 HB2 ALA 65 HB2 ALA 65 1.383 11.601 9.466 253 HB3 ALA 65 HB3 ALA 65 2.946 11.369 10.251 254 H HIS 66 H HIS 66 2.176 8.176 8.013 255 HA HIS 66 HA HIS 66 -0.463 8.534 6.996 256 HD2 HIS 66 HD2 HIS 66 2.682 5.769 4.258 257 HE1 HIS 66 HE1 HIS 66 5.382 8.496 6.014 258 HE2 HIS 66 HE2 HIS 66 5.127 6.607 4.355 259 HB2 HIS 66 HB2 HIS 66 0.486 6.766 5.235 260 HB3 HIS 66 HB3 HIS 66 0.662 8.504 5.102 261 H GLU 67 H GLU 67 -2.100 7.456 6.975 262 HA GLU 67 HA GLU 67 -2.319 5.095 8.631 263 HB2 GLU 67 HB2 GLU 67 -4.749 5.465 8.323 264 HB3 GLU 67 HB3 GLU 67 -3.934 6.911 8.901 265 HG2 GLU 67 HG2 GLU 67 -3.870 7.691 6.499 266 HG3 GLU 67 HG3 GLU 67 -4.933 6.342 6.124 267 H ILE 68 H ILE 68 -3.537 3.201 7.848 268 HA ILE 68 HA ILE 68 -2.708 2.602 5.113 269 HB ILE 68 HB ILE 68 -4.116 0.499 6.632 270 HG12 ILE 68 HG12 ILE 68 -2.718 1.690 8.381 271 HG13 ILE 68 HG13 ILE 68 -2.336 -0.009 8.137 272 HG21 ILE 68 HG21 ILE 68 -2.297 -0.849 5.694 273 HG22 ILE 68 HG22 ILE 68 -3.109 0.110 4.457 274 HG23 ILE 68 HG23 ILE 68 -1.535 0.616 5.075 275 HD11 ILE 68 HD11 ILE 68 -0.795 2.339 7.066 276 HD12 ILE 68 HD12 ILE 68 -0.325 1.283 8.400 277 HD13 ILE 68 HD13 ILE 68 -0.418 0.643 6.759 278 H CYS 69 H CYS 69 -4.156 1.688 3.558 279 HA CYS 69 HA CYS 69 -6.996 2.089 3.923 280 HG CYS 69 HG CYS 69 -6.074 4.439 5.100 281 HB2 CYS 69 HB2 CYS 69 -5.343 3.875 2.125 282 HB3 CYS 69 HB3 CYS 69 -7.094 3.725 2.008 283 H LEU 70 H LEU 70 -8.128 1.690 1.765 284 HA LEU 70 HA LEU 70 -6.561 0.031 -0.063 285 HG LEU 70 HG LEU 70 -6.861 -2.142 -0.411 286 HB2 LEU 70 HB2 LEU 70 -7.757 -1.239 1.879 287 HB3 LEU 70 HB3 LEU 70 -9.203 -0.937 0.935 288 HD11 LEU 70 HD11 LEU 70 -7.608 -4.371 0.299 289 HD12 LEU 70 HD12 LEU 70 -7.058 -3.392 1.660 290 HD13 LEU 70 HD13 LEU 70 -8.783 -3.617 1.378 291 HD21 LEU 70 HD21 LEU 70 -8.610 -3.281 -1.691 292 HD22 LEU 70 HD22 LEU 70 -9.841 -2.562 -0.653 293 HD23 LEU 70 HD23 LEU 70 -8.860 -1.535 -1.697 294 H GLN 71 H GLN 71 -6.954 0.844 -2.015 295 HA GLN 71 HA GLN 71 -7.909 2.102 -3.659 296 HB2 GLN 71 HB2 GLN 71 -10.194 0.365 -2.733 297 HB3 GLN 71 HB3 GLN 71 -10.355 1.457 -4.106 298 HG2 GLN 71 HG2 GLN 71 -9.097 0.168 -5.453 299 HG3 GLN 71 HG3 GLN 71 -7.993 -0.292 -4.159 300 HE21 GLN 71 HE21 GLN 71 -7.999 -2.429 -4.804 301 HE22 GLN 71 HE22 GLN 71 -9.338 -3.472 -4.494 302 H ASP 72 H ASP 72 -7.664 3.261 -1.141 303 HA ASP 72 HA ASP 72 -7.927 5.423 -0.476 304 HB2 ASP 72 HB2 ASP 72 -8.843 6.345 -2.419 305 HB3 ASP 72 HB3 ASP 72 -10.315 5.382 -2.297 306 H ILE 73 H ILE 73 -10.261 2.894 -0.057 307 HA ILE 73 HA ILE 73 -11.710 4.038 2.105 308 HB ILE 73 HB ILE 73 -11.045 1.113 1.921 309 HG12 ILE 73 HG12 ILE 73 -13.379 2.301 0.443 310 HG13 ILE 73 HG13 ILE 73 -11.812 2.085 -0.339 311 HG21 ILE 73 HG21 ILE 73 -12.262 1.862 3.876 312 HG22 ILE 73 HG22 ILE 73 -13.489 2.608 2.853 313 HG23 ILE 73 HG23 ILE 73 -13.297 0.856 2.860 314 HD11 ILE 73 HD11 ILE 73 -13.221 0.193 -0.815 315 HD12 ILE 73 HD12 ILE 73 -11.889 -0.309 0.237 316 HD13 ILE 73 HD13 ILE 73 -13.505 -0.066 0.907 317 H GLN 74 H GLN 74 -10.742 4.693 3.964 318 HA GLN 74 HA GLN 74 -8.199 3.774 4.772 319 HB2 GLN 74 HB2 GLN 74 -9.210 4.735 7.103 320 HB3 GLN 74 HB3 GLN 74 -8.462 5.727 5.857 321 HG2 GLN 74 HG2 GLN 74 -11.372 5.205 5.640 322 HG3 GLN 74 HG3 GLN 74 -10.823 6.289 6.915 323 HE21 GLN 74 HE21 GLN 74 -9.054 6.056 3.897 324 HE22 GLN 74 HE22 GLN 74 -9.536 7.598 3.287 325 H LEU 75 H LEU 75 -7.587 2.363 6.347 326 HA LEU 75 HA LEU 75 -9.572 0.257 6.979 327 HG LEU 75 HG LEU 75 -8.543 0.103 4.364 328 HB2 LEU 75 HB2 LEU 75 -6.666 0.015 6.174 329 HB3 LEU 75 HB3 LEU 75 -7.598 -1.315 6.838 330 HD11 LEU 75 HD11 LEU 75 -6.210 -0.586 3.952 331 HD12 LEU 75 HD12 LEU 75 -6.636 -2.233 4.426 332 HD13 LEU 75 HD13 LEU 75 -7.375 -1.505 2.995 333 HD21 LEU 75 HD21 LEU 75 -10.074 -1.425 5.487 334 HD22 LEU 75 HD22 LEU 75 -9.563 -2.074 3.926 335 HD23 LEU 75 HD23 LEU 75 -8.858 -2.704 5.418 336 H ASP 76 H ASP 76 -8.472 -1.253 8.821 337 HA ASP 76 HA ASP 76 -7.427 0.583 10.841 338 HB2 ASP 76 HB2 ASP 76 -9.653 -1.390 11.022 339 HB3 ASP 76 HB3 ASP 76 -8.586 -1.236 12.414 340 HA PRO 77 HA PRO 77 -3.909 -2.196 10.531 341 HB2 PRO 77 HB2 PRO 77 -2.792 -0.962 12.789 342 HB3 PRO 77 HB3 PRO 77 -2.488 -0.524 11.106 343 HG2 PRO 77 HG2 PRO 77 -4.347 0.710 13.082 344 HG3 PRO 77 HG3 PRO 77 -3.397 1.480 11.798 345 HD2 PRO 77 HD2 PRO 77 -6.033 1.095 11.530 346 HD3 PRO 77 HD3 PRO 77 -4.935 0.903 10.148 347 H ASP 78 H ASP 78 -6.074 -1.620 13.149 348 HA ASP 78 HA ASP 78 -5.015 -3.620 14.925 349 HB2 ASP 78 HB2 ASP 78 -7.587 -2.031 14.884 350 HB3 ASP 78 HB3 ASP 78 -7.149 -3.149 16.182 351 H ARG 79 H ARG 79 -6.639 -3.836 12.073 352 HA ARG 79 HA ARG 79 -7.955 -6.353 12.805 353 HE ARG 79 HE ARG 79 -11.244 -3.220 14.930 354 HB2 ARG 79 HB2 ARG 79 -9.192 -4.113 11.169 355 HB3 ARG 79 HB3 ARG 79 -9.910 -5.702 11.423 356 HG2 ARG 79 HG2 ARG 79 -10.169 -5.298 13.757 357 HG3 ARG 79 HG3 ARG 79 -9.227 -3.813 13.661 358 HD2 ARG 79 HD2 ARG 79 -11.007 -2.947 12.089 359 HD3 ARG 79 HD3 ARG 79 -11.971 -4.348 12.556 360 HH11 ARG 79 HH12 ARG 79 -12.918 -2.088 12.063 361 HH12 ARG 79 HH11 ARG 79 -13.791 -0.855 12.917 362 HH21 ARG 79 HH22 ARG 79 -12.429 -1.606 16.052 363 HH22 ARG 79 HH21 ARG 79 -13.523 -0.588 15.168 364 H SER 80 H SER 80 -8.416 -7.712 10.867 365 HA SER 80 HA SER 80 -6.181 -7.503 9.023 366 HG SER 80 HG SER 80 -8.170 -10.323 10.839 367 HB2 SER 80 HB2 SER 80 -6.862 -9.910 8.598 368 HB3 SER 80 HB3 SER 80 -6.321 -9.536 10.235 369 H LEU 81 H LEU 81 -6.633 -8.505 6.762 370 HA LEU 81 HA LEU 81 -8.626 -7.212 5.304 371 HG LEU 81 HG LEU 81 -7.472 -7.243 3.052 372 HB2 LEU 81 HB2 LEU 81 -6.973 -9.633 4.828 373 HB3 LEU 81 HB3 LEU 81 -8.375 -9.413 3.805 374 HD11 LEU 81 HD11 LEU 81 -5.030 -7.969 4.654 375 HD12 LEU 81 HD12 LEU 81 -5.209 -6.586 3.569 376 HD13 LEU 81 HD13 LEU 81 -6.169 -6.680 5.046 377 HD21 LEU 81 HD21 LEU 81 -5.561 -9.557 2.758 378 HD22 LEU 81 HD22 LEU 81 -7.005 -9.274 1.786 379 HD23 LEU 81 HD23 LEU 81 -5.648 -8.150 1.701 380 H PHE 82 H PHE 82 -8.681 -10.319 6.938 381 HA PHE 82 HA PHE 82 -11.260 -11.151 6.224 382 HD1 PHE 82 HD1 PHE 82 -10.908 -12.590 5.407 383 HD2 PHE 82 HD2 PHE 82 -9.243 -14.212 8.970 384 HE1 PHE 82 HE1 PHE 82 -10.565 -14.745 4.267 385 HE2 PHE 82 HE2 PHE 82 -8.890 -16.362 7.832 386 HZ PHE 82 HZ PHE 82 -9.556 -16.632 5.480 387 HB2 PHE 82 HB2 PHE 82 -9.431 -11.703 8.512 388 HB3 PHE 82 HB3 PHE 82 -11.115 -12.128 8.714 389 H ASP 83 H ASP 83 -10.233 -8.626 8.345 390 HA ASP 83 HA ASP 83 -12.994 -8.276 9.300 391 HB2 ASP 83 HB2 ASP 83 -10.823 -8.170 10.800 392 HB3 ASP 83 HB3 ASP 83 -10.768 -6.510 10.214 393 H GLN 84 H GLN 84 -10.858 -7.174 6.969 394 HA GLN 84 HA GLN 84 -12.513 -4.818 6.418 395 HB2 GLN 84 HB2 GLN 84 -9.582 -4.909 6.889 396 HB3 GLN 84 HB3 GLN 84 -10.158 -3.862 5.616 397 HG2 GLN 84 HG2 GLN 84 -10.371 -2.309 7.184 398 HG3 GLN 84 HG3 GLN 84 -11.800 -3.202 7.715 399 HE21 GLN 84 HE21 GLN 84 -8.542 -4.402 8.014 400 HE22 GLN 84 HE22 GLN 84 -8.428 -4.247 9.720 401 H GLY 85 H GLY 85 -13.407 -6.339 4.799 402 HA2 GLY 85 HA2 GLY 85 -13.447 -5.885 2.394 403 HA3 GLY 85 HA3 GLY 85 -11.711 -6.113 2.404 404 H VAL 86 H VAL 86 -10.852 -8.251 2.450 405 HA VAL 86 HA VAL 86 -12.665 -9.887 0.860 406 HB VAL 86 HB VAL 86 -10.678 -11.012 0.045 407 HG11 VAL 86 HG11 VAL 86 -10.440 -8.008 -0.050 408 HG12 VAL 86 HG12 VAL 86 -9.666 -9.132 -1.166 409 HG13 VAL 86 HG13 VAL 86 -11.425 -9.013 -1.113 410 HG21 VAL 86 HG21 VAL 86 -9.263 -10.960 1.987 411 HG22 VAL 86 HG22 VAL 86 -8.425 -10.195 0.637 412 HG23 VAL 86 HG23 VAL 86 -9.150 -9.200 1.902 413 H LYS 87 H LYS 87 -12.803 -12.137 1.061 414 HA LYS 87 HA LYS 87 -11.683 -13.263 3.543 415 HB2 LYS 87 HB2 LYS 87 -14.339 -14.064 2.343 416 HB3 LYS 87 HB3 LYS 87 -13.638 -14.636 3.852 417 HG2 LYS 87 HG2 LYS 87 -14.518 -11.824 3.281 418 HG3 LYS 87 HG3 LYS 87 -15.414 -13.014 4.218 419 HD2 LYS 87 HD2 LYS 87 -13.865 -12.974 5.971 420 HD3 LYS 87 HD3 LYS 87 -12.605 -12.184 5.001 421 HE2 LYS 87 HE2 LYS 87 -13.474 -10.450 6.318 422 HE3 LYS 87 HE3 LYS 87 -14.320 -10.266 4.784 423 HZ1 LYS 87 HZ1 LYS 87 -15.879 -10.071 6.572 424 HZ2 LYS 87 HZ2 LYS 87 -15.388 -11.554 7.236 425 HZ3 LYS 87 HZ3 LYS 87 -16.193 -11.520 5.745 426 H THR 88 H THR 88 -9.969 -13.719 1.959 427 HA THR 88 HA THR 88 -10.538 -16.212 0.532 428 HB THR 88 HB THR 88 -9.543 -14.596 -0.938 429 HG1 THR 88 HG1 THR 88 -8.553 -16.307 -1.642 430 HG21 THR 88 HG21 THR 88 -7.370 -13.546 -0.537 431 HG22 THR 88 HG22 THR 88 -7.289 -14.314 1.049 432 HG23 THR 88 HG23 THR 88 -8.531 -13.107 0.718 433 H ASP 89 H ASP 89 -7.242 -16.095 1.104 434 HA ASP 89 HA ASP 89 -7.154 -16.561 3.885 435 HB2 ASP 89 HB2 ASP 89 -8.259 -18.662 3.405 436 HB3 ASP 89 HB3 ASP 89 -7.044 -19.060 2.191 437 H GLY 90 H GLY 90 -5.201 -16.080 4.530 438 HA2 GLY 90 HA2 GLY 90 -2.936 -16.839 4.719 439 HA3 GLY 90 HA3 GLY 90 -2.952 -17.179 2.995 440 H THR 91 H THR 91 -1.578 -15.931 2.037 441 HA THR 91 HA THR 91 -1.301 -13.143 2.929 442 HB THR 91 HB THR 91 0.647 -14.954 1.502 443 HG1 THR 91 HG1 THR 91 0.122 -14.974 3.970 444 HG21 THR 91 HG21 THR 91 1.020 -12.112 2.441 445 HG22 THR 91 HG22 THR 91 0.923 -12.641 0.760 446 HG23 THR 91 HG23 THR 91 2.277 -13.151 1.771 447 H VAL 92 H VAL 92 -2.048 -11.612 1.575 448 HA VAL 92 HA VAL 92 -2.283 -12.263 -1.284 449 HB VAL 92 HB VAL 92 -3.755 -10.375 -1.547 450 HG11 VAL 92 HG11 VAL 92 -5.644 -11.159 -0.110 451 HG12 VAL 92 HG12 VAL 92 -4.835 -12.418 -1.046 452 HG13 VAL 92 HG13 VAL 92 -4.499 -12.247 0.675 453 HG21 VAL 92 HG21 VAL 92 -4.566 -9.098 0.383 454 HG22 VAL 92 HG22 VAL 92 -3.387 -9.922 1.408 455 HG23 VAL 92 HG23 VAL 92 -2.841 -8.866 0.102 456 H GLN 93 H GLN 93 -1.687 -10.568 -2.809 457 HA GLN 93 HA GLN 93 0.731 -9.192 -1.896 458 HB2 GLN 93 HB2 GLN 93 0.646 -10.828 -3.917 459 HB3 GLN 93 HB3 GLN 93 -0.137 -9.506 -4.765 460 HG2 GLN 93 HG2 GLN 93 2.523 -9.167 -3.424 461 HG3 GLN 93 HG3 GLN 93 2.376 -9.806 -5.057 462 HE21 GLN 93 HE21 GLN 93 2.107 -7.020 -3.035 463 HE22 GLN 93 HE22 GLN 93 1.909 -5.858 -4.303 464 H LEU 94 H LEU 94 0.548 -7.135 -1.468 465 HA LEU 94 HA LEU 94 -1.907 -5.730 -2.265 466 HG LEU 94 HG LEU 94 -1.935 -5.183 1.353 467 HB2 LEU 94 HB2 LEU 94 0.139 -5.028 -0.161 468 HB3 LEU 94 HB3 LEU 94 -1.279 -4.074 -0.529 469 HD11 LEU 94 HD11 LEU 94 -2.798 -7.008 -0.864 470 HD12 LEU 94 HD12 LEU 94 -3.517 -6.940 0.747 471 HD13 LEU 94 HD13 LEU 94 -3.605 -5.541 -0.316 472 HD21 LEU 94 HD21 LEU 94 -1.442 -7.512 1.892 473 HD22 LEU 94 HD22 LEU 94 -0.585 -7.686 0.360 474 HD23 LEU 94 HD23 LEU 94 0.034 -6.593 1.598 475 H SER 95 H SER 95 -1.716 -4.540 -4.081 476 HA SER 95 HA SER 95 0.743 -3.055 -4.532 477 HG SER 95 HG SER 95 -0.930 -4.761 -6.926 478 HB2 SER 95 HB2 SER 95 -1.892 -3.118 -6.024 479 HB3 SER 95 HB3 SER 95 -0.529 -2.098 -6.493 480 H VAL 96 H VAL 96 0.587 -2.126 -2.451 481 HA VAL 96 HA VAL 96 -1.465 -0.123 -1.990 482 HB VAL 96 HB VAL 96 -1.070 -1.452 -0.110 483 HG11 VAL 96 HG11 VAL 96 1.885 -0.955 -0.495 484 HG12 VAL 96 HG12 VAL 96 1.175 -1.782 0.893 485 HG13 VAL 96 HG13 VAL 96 1.020 -2.478 -0.720 486 HG21 VAL 96 HG21 VAL 96 -1.255 0.932 0.409 487 HG22 VAL 96 HG22 VAL 96 -0.267 0.073 1.591 488 HG23 VAL 96 HG23 VAL 96 0.502 1.078 0.364 489 H GLN 97 H GLN 97 -1.258 1.979 -2.120 490 HA GLN 97 HA GLN 97 1.280 3.110 -3.085 491 HB2 GLN 97 HB2 GLN 97 -1.582 4.000 -3.372 492 HB3 GLN 97 HB3 GLN 97 -0.228 5.021 -3.800 493 HG2 GLN 97 HG2 GLN 97 0.484 3.275 -5.419 494 HG3 GLN 97 HG3 GLN 97 -1.007 2.408 -5.041 495 HE21 GLN 97 HE21 GLN 97 -2.455 4.945 -4.655 496 HE22 GLN 97 HE22 GLN 97 -2.781 5.539 -6.247 497 H VAL 98 H VAL 98 2.075 5.015 -2.214 498 HA VAL 98 HA VAL 98 0.872 5.898 0.289 499 HB VAL 98 HB VAL 98 2.934 6.304 0.983 500 HG11 VAL 98 HG11 VAL 98 4.881 5.568 -0.318 501 HG12 VAL 98 HG12 VAL 98 3.570 4.389 -0.311 502 HG13 VAL 98 HG13 VAL 98 3.841 5.396 -1.733 503 HG21 VAL 98 HG21 VAL 98 2.775 8.547 0.015 504 HG22 VAL 98 HG22 VAL 98 4.431 7.938 0.005 505 HG23 VAL 98 HG23 VAL 98 3.484 7.939 -1.483 506 H ILE 99 H ILE 99 -0.593 7.399 0.188 507 HA ILE 99 HA ILE 99 -0.670 9.241 -2.116 508 HB ILE 99 HB ILE 99 -2.867 8.450 -0.196 509 HG12 ILE 99 HG12 ILE 99 -2.492 7.733 -3.110 510 HG13 ILE 99 HG13 ILE 99 -2.308 6.633 -1.744 511 HG21 ILE 99 HG21 ILE 99 -4.365 9.678 -1.693 512 HG22 ILE 99 HG22 ILE 99 -3.139 10.726 -0.978 513 HG23 ILE 99 HG23 ILE 99 -2.977 10.191 -2.651 514 HD11 ILE 99 HD11 ILE 99 -4.682 6.988 -1.173 515 HD12 ILE 99 HD12 ILE 99 -4.845 8.008 -2.605 516 HD13 ILE 99 HD13 ILE 99 -4.454 6.295 -2.783 517 H SER 100 H SER 100 -0.275 11.400 -1.726 518 HA SER 100 HA SER 100 -1.765 12.455 0.542 519 HG SER 100 HG SER 100 1.923 12.403 -0.179 520 HB2 SER 100 HB2 SER 100 0.080 14.067 1.076 521 HB3 SER 100 HB3 SER 100 0.500 12.390 1.406 522 H TYR 101 H TYR 101 -3.321 13.112 -0.883 523 HA TYR 101 HA TYR 101 -2.768 14.463 -3.329 524 HD1 TYR 101 HD1 TYR 101 -3.710 13.498 -5.101 525 HD2 TYR 101 HD2 TYR 101 -6.272 11.958 -2.065 526 HE1 TYR 101 HE1 TYR 101 -4.032 11.444 -6.414 527 HE2 TYR 101 HE2 TYR 101 -6.584 9.905 -3.364 528 HH TYR 101 HH TYR 101 -4.671 9.098 -6.063 529 HB2 TYR 101 HB2 TYR 101 -5.305 14.023 -1.756 530 HB3 TYR 101 HB3 TYR 101 -5.279 14.951 -3.247 531 H GLN 102 H GLN 102 -2.023 16.458 -3.447 532 HA GLN 102 HA GLN 102 -1.631 18.655 -3.038 533 HB2 GLN 102 HB2 GLN 102 -4.510 18.541 -2.126 534 HB3 GLN 102 HB3 GLN 102 -3.606 20.033 -2.327 535 HG2 GLN 102 HG2 GLN 102 -4.738 19.920 -4.305 536 HG3 GLN 102 HG3 GLN 102 -3.216 19.152 -4.743 537 HE21 GLN 102 HE21 GLN 102 -5.673 17.595 -2.803 538 HE22 GLN 102 HE22 GLN 102 -6.154 16.427 -3.994 539 H GLY 103 H GLY 103 -1.019 16.745 -0.895 540 HA2 GLY 103 HA2 GLY 103 -0.059 16.987 1.210 541 HA3 GLY 103 HA3 GLY 103 -0.630 18.649 1.244 542 H MET 104 H MET 104 -2.494 15.693 0.760 543 HA MET 104 HA MET 104 -4.241 16.403 2.969 544 HB2 MET 104 HB2 MET 104 -5.781 14.852 2.144 545 HB3 MET 104 HB3 MET 104 -5.029 15.461 0.677 546 HG2 MET 104 HG2 MET 104 -3.690 13.507 0.457 547 HG3 MET 104 HG3 MET 104 -4.166 12.933 2.054 548 HE1 MET 104 HE1 MET 104 -6.668 12.142 2.645 549 HE2 MET 104 HE2 MET 104 -7.274 13.677 2.025 550 HE3 MET 104 HE3 MET 104 -7.985 12.159 1.473 551 H GLU 105 H GLU 105 -4.935 14.279 4.279 552 HA GLU 105 HA GLU 105 -2.699 13.510 5.804 553 HB2 GLU 105 HB2 GLU 105 -5.504 12.403 5.627 554 HB3 GLU 105 HB3 GLU 105 -4.304 11.775 6.749 555 HG2 GLU 105 HG2 GLU 105 -5.313 14.608 6.663 556 HG3 GLU 105 HG3 GLU 105 -5.811 13.369 7.814 557 HA PRO 106 HA PRO 106 -0.949 10.694 2.805 558 HB2 PRO 106 HB2 PRO 106 0.681 9.608 4.850 559 HB3 PRO 106 HB3 PRO 106 1.130 10.826 3.656 560 HG2 PRO 106 HG2 PRO 106 0.256 11.170 6.467 561 HG3 PRO 106 HG3 PRO 106 1.373 12.151 5.511 562 HD2 PRO 106 HD2 PRO 106 -1.100 13.006 6.056 563 HD3 PRO 106 HD3 PRO 106 -0.346 13.317 4.482 564 H LYS 107 H LYS 107 -2.076 9.067 2.232 565 HA LYS 107 HA LYS 107 -2.860 6.977 4.170 566 HB2 LYS 107 HB2 LYS 107 -4.095 7.874 1.578 567 HB3 LYS 107 HB3 LYS 107 -4.471 6.314 2.290 568 HG2 LYS 107 HG2 LYS 107 -5.351 7.406 4.266 569 HG3 LYS 107 HG3 LYS 107 -4.935 8.984 3.599 570 HD2 LYS 107 HD2 LYS 107 -6.771 7.004 2.272 571 HD3 LYS 107 HD3 LYS 107 -7.328 8.352 3.281 572 HE2 LYS 107 HE2 LYS 107 -5.953 9.827 1.681 573 HE3 LYS 107 HE3 LYS 107 -5.938 8.414 0.623 574 HZ1 LYS 107 HZ1 LYS 107 -8.430 9.629 1.686 575 HZ2 LYS 107 HZ2 LYS 107 -8.299 8.459 0.463 576 HZ3 LYS 107 HZ3 LYS 107 -7.761 10.040 0.188 577 H LEU 108 H LEU 108 -2.161 4.901 3.838 578 HA LEU 108 HA LEU 108 -0.779 4.315 1.304 579 HG LEU 108 HG LEU 108 1.737 2.893 3.036 580 HB2 LEU 108 HB2 LEU 108 -0.908 2.841 3.940 581 HB3 LEU 108 HB3 LEU 108 -0.259 2.107 2.493 582 HD11 LEU 108 HD11 LEU 108 2.308 5.166 2.741 583 HD12 LEU 108 HD12 LEU 108 1.044 4.782 1.578 584 HD13 LEU 108 HD13 LEU 108 0.650 5.687 3.040 585 HD21 LEU 108 HD21 LEU 108 0.457 4.533 5.213 586 HD22 LEU 108 HD22 LEU 108 0.904 2.832 5.358 587 HD23 LEU 108 HD23 LEU 108 2.151 4.051 5.104 588 H ASN 109 H ASN 109 -2.370 3.802 -0.212 589 HA ASN 109 HA ASN 109 -4.578 2.114 0.748 590 HB2 ASN 109 HB2 ASN 109 -5.685 2.623 -1.420 591 HB3 ASN 109 HB3 ASN 109 -5.462 4.012 -0.390 592 HD21 ASN 109 HD21 ASN 109 -5.921 3.967 -3.225 593 HD22 ASN 109 HD22 ASN 109 -4.543 4.687 -3.972 594 H ILE 110 H ILE 110 -4.538 0.075 0.370 595 HA ILE 110 HA ILE 110 -2.926 -1.158 -1.638 596 HB ILE 110 HB ILE 110 -5.310 -2.210 -0.117 597 HG12 ILE 110 HG12 ILE 110 -2.382 -2.709 0.394 598 HG13 ILE 110 HG13 ILE 110 -3.297 -1.449 1.213 599 HG21 ILE 110 HG21 ILE 110 -4.701 -4.379 -0.823 600 HG22 ILE 110 HG22 ILE 110 -4.747 -3.374 -2.267 601 HG23 ILE 110 HG23 ILE 110 -3.196 -3.801 -1.539 602 HD11 ILE 110 HD11 ILE 110 -4.769 -3.124 2.165 603 HD12 ILE 110 HD12 ILE 110 -3.884 -4.395 1.318 604 HD13 ILE 110 HD13 ILE 110 -3.082 -3.445 2.572 605 H LEU 111 H LEU 111 -3.369 -1.061 -3.761 606 HA LEU 111 HA LEU 111 -6.097 -0.399 -4.573 607 HG LEU 111 HG LEU 111 -4.211 1.883 -6.732 608 HB2 LEU 111 HB2 LEU 111 -3.484 -0.439 -6.068 609 HB3 LEU 111 HB3 LEU 111 -5.020 -0.317 -6.902 610 HD11 LEU 111 HD11 LEU 111 -6.572 1.678 -6.175 611 HD12 LEU 111 HD12 LEU 111 -6.160 1.481 -4.472 612 HD13 LEU 111 HD13 LEU 111 -5.822 3.007 -5.290 613 HD21 LEU 111 HD21 LEU 111 -3.469 2.884 -4.629 614 HD22 LEU 111 HD22 LEU 111 -3.683 1.330 -3.824 615 HD23 LEU 111 HD23 LEU 111 -2.473 1.503 -5.096 616 H GLU 112 H GLU 112 -4.330 -3.165 -3.972 617 HA GLU 112 HA GLU 112 -5.948 -4.750 -5.748 618 HB2 GLU 112 HB2 GLU 112 -4.275 -4.140 -7.342 619 HB3 GLU 112 HB3 GLU 112 -2.981 -4.434 -6.188 620 HG2 GLU 112 HG2 GLU 112 -3.507 -6.820 -6.219 621 HG3 GLU 112 HG3 GLU 112 -4.784 -6.515 -7.397 622 H ILE 113 H ILE 113 -6.484 -6.423 -4.617 623 HA ILE 113 HA ILE 113 -4.508 -7.579 -2.775 624 HB ILE 113 HB ILE 113 -7.519 -7.548 -2.607 625 HG12 ILE 113 HG12 ILE 113 -5.288 -6.546 -0.840 626 HG13 ILE 113 HG13 ILE 113 -6.546 -5.596 -1.626 627 HG21 ILE 113 HG21 ILE 113 -6.809 -9.799 -2.121 628 HG22 ILE 113 HG22 ILE 113 -5.574 -9.202 -1.013 629 HG23 ILE 113 HG23 ILE 113 -7.281 -8.997 -0.623 630 HD11 ILE 113 HD11 ILE 113 -6.954 -7.601 0.567 631 HD12 ILE 113 HD12 ILE 113 -6.962 -5.844 0.750 632 HD13 ILE 113 HD13 ILE 113 -8.217 -6.636 -0.204 633 H VAL 114 H VAL 114 -3.621 -9.324 -3.687 634 HA VAL 114 HA VAL 114 -5.435 -11.165 -5.044 635 HB VAL 114 HB VAL 114 -3.634 -11.730 -6.669 636 HG11 VAL 114 HG11 VAL 114 -4.431 -8.825 -6.609 637 HG12 VAL 114 HG12 VAL 114 -3.781 -9.668 -8.015 638 HG13 VAL 114 HG13 VAL 114 -5.335 -10.152 -7.337 639 HG21 VAL 114 HG21 VAL 114 -2.194 -9.352 -5.486 640 HG22 VAL 114 HG22 VAL 114 -1.690 -11.038 -5.352 641 HG23 VAL 114 HG23 VAL 114 -1.703 -10.243 -6.927 642 H LYS 115 H LYS 115 -5.538 -12.914 -3.785 643 HA LYS 115 HA LYS 115 -3.658 -13.544 -1.835 644 HB2 LYS 115 HB2 LYS 115 -4.782 -15.606 -1.475 645 HB3 LYS 115 HB3 LYS 115 -6.004 -14.411 -1.879 646 HG2 LYS 115 HG2 LYS 115 -6.548 -15.423 -3.827 647 HG3 LYS 115 HG3 LYS 115 -4.916 -16.044 -4.091 648 HD2 LYS 115 HD2 LYS 115 -6.984 -17.093 -2.173 649 HD3 LYS 115 HD3 LYS 115 -6.367 -17.876 -3.624 650 HE2 LYS 115 HE2 LYS 115 -4.159 -18.048 -2.628 651 HE3 LYS 115 HE3 LYS 115 -4.736 -17.225 -1.179 652 HZ1 LYS 115 HZ1 LYS 115 -6.280 -19.068 -0.810 653 HZ2 LYS 115 HZ2 LYS 115 -4.676 -19.614 -0.852 654 HZ3 LYS 115 HZ3 LYS 115 -5.689 -19.855 -2.189 655 H THR 116 H THR 116 -1.734 -14.080 -2.043 656 HA THR 116 HA THR 116 0.275 -14.761 -2.822 657 HB THR 116 HB THR 116 -1.502 -16.914 -3.934 658 HG1 THR 116 HG1 THR 116 0.183 -16.551 -1.698 659 HG21 THR 116 HG21 THR 116 0.543 -18.201 -4.432 660 HG22 THR 116 HG22 THR 116 1.505 -16.758 -4.103 661 HG23 THR 116 HG23 THR 116 0.364 -16.771 -5.454 662 H ALA 117 H ALA 117 -1.695 -15.611 -5.643 663 HA ALA 117 HA ALA 117 -0.606 -13.509 -7.272 664 HB1 ALA 117 HB1 ALA 117 0.164 -16.370 -7.870 665 HB2 ALA 117 HB2 ALA 117 0.500 -14.970 -8.888 666 HB3 ALA 117 HB3 ALA 117 1.258 -15.109 -7.302 667 H GLU 118 H GLU 118 -2.426 -16.451 -6.858 668 HA GLU 118 HA GLU 118 -4.150 -16.078 -9.094 669 HB2 GLU 118 HB2 GLU 118 -5.643 -17.668 -7.785 670 HB3 GLU 118 HB3 GLU 118 -4.050 -18.274 -8.213 671 HG2 GLU 118 HG2 GLU 118 -3.254 -17.799 -5.960 672 HG3 GLU 118 HG3 GLU 118 -4.841 -17.164 -5.528 673 H THR 119 H THR 119 -4.618 -13.930 -8.989 674 HA THR 119 HA THR 119 -5.380 -12.269 -7.058 675 HB THR 119 HB THR 119 -5.193 -11.566 -9.377 676 HG1 THR 119 HG1 THR 119 -7.796 -10.736 -8.891 677 HG21 THR 119 HG21 THR 119 -7.039 -11.856 -10.963 678 HG22 THR 119 HG22 THR 119 -7.891 -12.858 -9.789 679 HG23 THR 119 HG23 THR 119 -6.363 -13.410 -10.473 680 H VAL 120 H VAL 120 -6.700 -12.467 -5.401 681 HA VAL 120 HA VAL 120 -9.305 -13.701 -5.676 682 HB VAL 120 HB VAL 120 -8.157 -13.948 -3.533 683 HG11 VAL 120 HG11 VAL 120 -7.829 -12.019 -2.041 684 HG12 VAL 120 HG12 VAL 120 -6.855 -11.907 -3.508 685 HG13 VAL 120 HG13 VAL 120 -8.323 -10.945 -3.352 686 HG21 VAL 120 HG21 VAL 120 -10.535 -14.011 -3.398 687 HG22 VAL 120 HG22 VAL 120 -9.954 -13.068 -2.027 688 HG23 VAL 120 HG23 VAL 120 -10.642 -12.250 -3.430 689 H GLU 121 H GLU 121 -11.224 -12.631 -5.918 690 HA GLU 121 HA GLU 121 -11.010 -9.741 -6.398 691 HB2 GLU 121 HB2 GLU 121 -12.769 -11.813 -7.712 692 HB3 GLU 121 HB3 GLU 121 -12.983 -10.081 -7.925 693 HG2 GLU 121 HG2 GLU 121 -10.493 -11.615 -8.636 694 HG3 GLU 121 HG3 GLU 121 -11.750 -11.126 -9.772 695 H TRP 122 H TRP 122 -13.306 -8.717 -6.351 696 HA TRP 122 HA TRP 122 -14.341 -9.077 -3.695 697 HD1 TRP 122 HD1 TRP 122 -15.645 -5.241 -3.173 698 HE1 TRP 122 HE1 TRP 122 -13.618 -3.977 -2.211 699 HE3 TRP 122 HE3 TRP 122 -11.867 -7.947 -5.345 700 HZ2 TRP 122 HZ2 TRP 122 -10.815 -4.122 -2.330 701 HZ3 TRP 122 HZ3 TRP 122 -9.543 -7.313 -4.856 702 HH2 TRP 122 HH2 TRP 122 -9.030 -5.439 -3.380 703 HB2 TRP 122 HB2 TRP 122 -14.900 -7.194 -5.969 704 HB3 TRP 122 HB3 TRP 122 -16.022 -7.287 -4.621 Start of MODEL 10 1 HA MET 34 HA MET 34 1.648 11.742 -7.275 2 H1 MET 34 H1 MET 34 0.452 12.978 -5.629 3 H2 MET 34 H2 MET 34 1.919 13.755 -5.969 4 H3 MET 34 H3 MET 34 1.743 12.860 -4.536 5 HB2 MET 34 HB2 MET 34 3.795 11.537 -5.148 6 HB3 MET 34 HB3 MET 34 3.797 10.675 -6.682 7 HG2 MET 34 HG2 MET 34 3.976 13.653 -6.287 8 HG3 MET 34 HG3 MET 34 5.270 12.571 -6.800 9 HE1 MET 34 HE1 MET 34 3.888 10.636 -8.852 10 HE2 MET 34 HE2 MET 34 4.118 11.502 -10.372 11 HE3 MET 34 HE3 MET 34 5.419 11.444 -9.183 12 H ALA 35 H ALA 35 2.085 9.287 -7.055 13 HA ALA 35 HA ALA 35 0.632 8.191 -4.746 14 HB1 ALA 35 HB1 ALA 35 0.028 7.541 -7.632 15 HB2 ALA 35 HB2 ALA 35 -0.703 6.769 -6.224 16 HB3 ALA 35 HB3 ALA 35 -0.998 8.478 -6.545 17 H GLU 36 H GLU 36 2.793 7.617 -4.135 18 HA GLU 36 HA GLU 36 4.440 5.979 -5.796 19 HB2 GLU 36 HB2 GLU 36 4.572 6.606 -2.845 20 HB3 GLU 36 HB3 GLU 36 5.841 5.792 -3.755 21 HG2 GLU 36 HG2 GLU 36 4.844 8.587 -4.264 22 HG3 GLU 36 HG3 GLU 36 6.313 8.170 -3.385 23 H CYS 37 H CYS 37 3.752 3.989 -6.298 24 HA CYS 37 HA CYS 37 2.342 2.408 -4.290 25 HG CYS 37 HG CYS 37 2.187 3.008 -8.660 26 HB2 CYS 37 HB2 CYS 37 1.953 0.852 -6.255 27 HB3 CYS 37 HB3 CYS 37 1.204 2.441 -6.369 28 H VAL 38 H VAL 38 3.113 0.572 -3.413 29 HA VAL 38 HA VAL 38 5.721 -0.414 -4.365 30 HB VAL 38 HB VAL 38 6.094 0.831 -2.295 31 HG11 VAL 38 HG11 VAL 38 5.060 0.150 -0.192 32 HG12 VAL 38 HG12 VAL 38 3.864 0.712 -1.361 33 HG13 VAL 38 HG13 VAL 38 4.062 -1.015 -1.065 34 HG21 VAL 38 HG21 VAL 38 6.263 -2.153 -1.909 35 HG22 VAL 38 HG22 VAL 38 7.481 -1.112 -2.644 36 HG23 VAL 38 HG23 VAL 38 7.105 -0.955 -0.928 37 H SER 39 H SER 39 5.985 -2.670 -4.327 38 HA SER 39 HA SER 39 3.502 -4.164 -4.095 39 HG SER 39 HG SER 39 6.453 -3.828 -6.206 40 HB2 SER 39 HB2 SER 39 5.106 -5.994 -5.089 41 HB3 SER 39 HB3 SER 39 4.508 -4.693 -6.121 42 H GLN 40 H GLN 40 3.080 -4.878 -2.108 43 HA GLN 40 HA GLN 40 5.199 -6.302 -0.657 44 HB2 GLN 40 HB2 GLN 40 4.991 -4.075 0.341 45 HB3 GLN 40 HB3 GLN 40 3.264 -4.315 0.553 46 HG2 GLN 40 HG2 GLN 40 4.323 -4.660 2.645 47 HG3 GLN 40 HG3 GLN 40 3.784 -6.227 2.046 48 HE21 GLN 40 HE21 GLN 40 5.201 -7.415 3.179 49 HE22 GLN 40 HE22 GLN 40 6.910 -7.396 2.948 50 H ALA 41 H ALA 41 4.481 -8.083 0.518 51 HA ALA 41 HA ALA 41 1.614 -8.703 0.273 52 HB1 ALA 41 HB1 ALA 41 2.283 -11.045 0.260 53 HB2 ALA 41 HB2 ALA 41 3.074 -10.149 -1.037 54 HB3 ALA 41 HB3 ALA 41 3.974 -10.565 0.419 55 H ILE 42 H ILE 42 0.602 -9.762 2.070 56 HA ILE 42 HA ILE 42 1.983 -9.883 4.590 57 HB ILE 42 HB ILE 42 1.007 -8.206 5.816 58 HG12 ILE 42 HG12 ILE 42 -1.202 -7.933 3.767 59 HG13 ILE 42 HG13 ILE 42 -1.311 -8.856 5.254 60 HG21 ILE 42 HG21 ILE 42 1.053 -6.971 3.072 61 HG22 ILE 42 HG22 ILE 42 1.047 -6.085 4.597 62 HG23 ILE 42 HG23 ILE 42 2.419 -7.114 4.179 63 HD11 ILE 42 HD11 ILE 42 -0.933 -5.882 5.033 64 HD12 ILE 42 HD12 ILE 42 -2.404 -6.729 5.515 65 HD13 ILE 42 HD13 ILE 42 -0.967 -6.796 6.541 66 H ASP 43 H ASP 43 0.420 -10.450 6.370 67 HA ASP 43 HA ASP 43 -1.304 -12.589 5.634 68 HB2 ASP 43 HB2 ASP 43 -0.590 -11.131 8.149 69 HB3 ASP 43 HB3 ASP 43 -2.000 -12.181 8.156 70 H ILE 44 H ILE 44 -3.538 -12.592 5.250 71 HA ILE 44 HA ILE 44 -4.848 -9.981 5.399 72 HB ILE 44 HB ILE 44 -6.441 -10.735 3.933 73 HG12 ILE 44 HG12 ILE 44 -6.006 -13.639 4.564 74 HG13 ILE 44 HG13 ILE 44 -7.064 -12.634 5.544 75 HG21 ILE 44 HG21 ILE 44 -4.138 -12.592 3.387 76 HG22 ILE 44 HG22 ILE 44 -5.428 -12.214 2.245 77 HG23 ILE 44 HG23 ILE 44 -4.328 -10.945 2.784 78 HD11 ILE 44 HD11 ILE 44 -8.277 -13.887 3.841 79 HD12 ILE 44 HD12 ILE 44 -8.432 -12.142 3.626 80 HD13 ILE 44 HD13 ILE 44 -7.344 -13.067 2.589 81 H ASN 45 H ASN 45 -4.606 -13.003 7.006 82 HA ASN 45 HA ASN 45 -7.141 -12.834 8.388 83 HB2 ASN 45 HB2 ASN 45 -4.658 -14.507 8.977 84 HB3 ASN 45 HB3 ASN 45 -6.199 -14.679 9.786 85 HD21 ASN 45 HD21 ASN 45 -5.912 -14.129 6.338 86 HD22 ASN 45 HD22 ASN 45 -6.441 -15.703 5.861 87 H GLU 46 H GLU 46 -4.224 -11.249 8.532 88 HA GLU 46 HA GLU 46 -4.421 -10.667 11.388 89 HB2 GLU 46 HB2 GLU 46 -1.917 -11.134 9.755 90 HB3 GLU 46 HB3 GLU 46 -1.937 -10.591 11.427 91 HG2 GLU 46 HG2 GLU 46 -3.142 -12.688 12.022 92 HG3 GLU 46 HG3 GLU 46 -2.900 -13.233 10.364 93 HA PRO 47 HA PRO 47 -4.337 -6.377 11.067 94 HB2 PRO 47 HB2 PRO 47 -1.713 -5.497 11.422 95 HB3 PRO 47 HB3 PRO 47 -2.886 -5.816 12.700 96 HG2 PRO 47 HG2 PRO 47 -0.741 -7.595 11.611 97 HG3 PRO 47 HG3 PRO 47 -1.231 -7.336 13.298 98 HD2 PRO 47 HD2 PRO 47 -2.008 -9.514 12.047 99 HD3 PRO 47 HD3 PRO 47 -3.182 -8.626 13.036 100 H ILE 48 H ILE 48 -4.663 -5.216 9.267 101 HA ILE 48 HA ILE 48 -2.961 -5.512 6.967 102 HB ILE 48 HB ILE 48 -4.488 -4.250 5.767 103 HG12 ILE 48 HG12 ILE 48 -6.232 -2.831 7.276 104 HG13 ILE 48 HG13 ILE 48 -4.779 -2.690 8.260 105 HG21 ILE 48 HG21 ILE 48 -5.560 -6.226 6.684 106 HG22 ILE 48 HG22 ILE 48 -6.121 -5.285 8.064 107 HG23 ILE 48 HG23 ILE 48 -6.715 -4.914 6.446 108 HD11 ILE 48 HD11 ILE 48 -3.566 -1.816 6.346 109 HD12 ILE 48 HD12 ILE 48 -5.028 -1.944 5.367 110 HD13 ILE 48 HD13 ILE 48 -4.978 -0.833 6.736 111 H GLY 49 H GLY 49 -2.997 -3.575 9.743 112 HA2 GLY 49 HA2 GLY 49 -1.793 -1.238 8.587 113 HA3 GLY 49 HA3 GLY 49 -2.025 -1.554 10.299 114 H ASN 50 H ASN 50 -0.531 -4.248 9.049 115 HA ASN 50 HA ASN 50 1.906 -3.530 10.322 116 HB2 ASN 50 HB2 ASN 50 2.666 -5.781 9.744 117 HB3 ASN 50 HB3 ASN 50 1.051 -5.840 10.425 118 HD21 ASN 50 HD21 ASN 50 0.629 -7.846 9.523 119 HD22 ASN 50 HD22 ASN 50 0.347 -8.051 7.831 120 H LEU 51 H LEU 51 0.677 -2.815 7.347 121 HA LEU 51 HA LEU 51 2.806 -3.079 5.571 122 HG LEU 51 HG LEU 51 1.444 -2.766 3.355 123 HB2 LEU 51 HB2 LEU 51 0.458 -1.271 5.781 124 HB3 LEU 51 HB3 LEU 51 1.738 -0.795 4.688 125 HD11 LEU 51 HD11 LEU 51 -0.572 -3.666 5.400 126 HD12 LEU 51 HD12 LEU 51 -0.182 -4.487 3.888 127 HD13 LEU 51 HD13 LEU 51 1.032 -4.357 5.161 128 HD21 LEU 51 HD21 LEU 51 -0.762 -2.430 2.521 129 HD22 LEU 51 HD22 LEU 51 -1.302 -1.764 4.062 130 HD23 LEU 51 HD23 LEU 51 -0.153 -0.870 3.072 131 H LYS 52 H LYS 52 2.395 -0.946 8.250 132 HA LYS 52 HA LYS 52 4.294 1.020 7.360 133 HB2 LYS 52 HB2 LYS 52 3.003 0.507 10.046 134 HB3 LYS 52 HB3 LYS 52 4.155 1.805 9.763 135 HG2 LYS 52 HG2 LYS 52 2.601 2.641 7.956 136 HG3 LYS 52 HG3 LYS 52 1.423 1.467 8.549 137 HD2 LYS 52 HD2 LYS 52 2.672 3.694 10.160 138 HD3 LYS 52 HD3 LYS 52 1.030 3.677 9.516 139 HE2 LYS 52 HE2 LYS 52 0.522 1.716 10.886 140 HE3 LYS 52 HE3 LYS 52 2.166 1.740 11.523 141 HZ1 LYS 52 HZ1 LYS 52 1.746 3.839 12.558 142 HZ2 LYS 52 HZ2 LYS 52 0.506 2.776 13.011 143 HZ3 LYS 52 HZ3 LYS 52 0.217 3.960 11.832 144 H LYS 53 H LYS 53 4.395 -2.049 8.859 145 HA LYS 53 HA LYS 53 7.081 -1.720 9.938 146 HB2 LYS 53 HB2 LYS 53 5.509 -4.286 9.722 147 HB3 LYS 53 HB3 LYS 53 6.848 -3.935 10.799 148 HG2 LYS 53 HG2 LYS 53 4.213 -2.507 10.996 149 HG3 LYS 53 HG3 LYS 53 4.526 -4.038 11.809 150 HD2 LYS 53 HD2 LYS 53 5.034 -2.527 13.467 151 HD3 LYS 53 HD3 LYS 53 6.619 -2.786 12.741 152 HE2 LYS 53 HE2 LYS 53 6.439 -0.738 11.497 153 HE3 LYS 53 HE3 LYS 53 4.773 -0.514 12.022 154 HZ1 LYS 53 HZ1 LYS 53 5.595 -0.331 14.309 155 HZ2 LYS 53 HZ2 LYS 53 6.230 0.876 13.301 156 HZ3 LYS 53 HZ3 LYS 53 7.192 -0.449 13.744 157 H LEU 54 H LEU 54 5.390 -3.419 7.337 158 HA LEU 54 HA LEU 54 7.767 -4.826 6.523 159 HG LEU 54 HG LEU 54 6.654 -7.036 6.660 160 HB2 LEU 54 HB2 LEU 54 4.918 -4.813 5.580 161 HB3 LEU 54 HB3 LEU 54 6.167 -5.622 4.658 162 HD11 LEU 54 HD11 LEU 54 4.998 -7.156 8.441 163 HD12 LEU 54 HD12 LEU 54 5.776 -5.572 8.397 164 HD13 LEU 54 HD13 LEU 54 4.147 -5.776 7.749 165 HD21 LEU 54 HD21 LEU 54 4.475 -8.326 6.514 166 HD22 LEU 54 HD22 LEU 54 3.931 -7.068 5.405 167 HD23 LEU 54 HD23 LEU 54 5.344 -8.050 5.007 168 H LEU 55 H LEU 55 6.048 -1.958 5.487 169 HA LEU 55 HA LEU 55 7.504 -1.912 2.963 170 HG LEU 55 HG LEU 55 4.476 -0.546 1.704 171 HB2 LEU 55 HB2 LEU 55 5.323 -0.235 4.122 172 HB3 LEU 55 HB3 LEU 55 6.293 0.389 2.800 173 HD11 LEU 55 HD11 LEU 55 6.717 -1.386 0.936 174 HD12 LEU 55 HD12 LEU 55 6.366 -2.883 1.800 175 HD13 LEU 55 HD13 LEU 55 5.331 -2.369 0.465 176 HD21 LEU 55 HD21 LEU 55 3.500 -2.728 2.239 177 HD22 LEU 55 HD22 LEU 55 4.645 -2.910 3.567 178 HD23 LEU 55 HD23 LEU 55 3.434 -1.628 3.617 179 H GLU 56 H GLU 56 8.111 -0.986 6.095 180 HA GLU 56 HA GLU 56 9.479 1.394 5.922 181 HB2 GLU 56 HB2 GLU 56 9.139 0.117 8.010 182 HB3 GLU 56 HB3 GLU 56 10.357 -1.039 7.486 183 HG2 GLU 56 HG2 GLU 56 12.004 0.822 7.435 184 HG3 GLU 56 HG3 GLU 56 10.769 1.866 8.138 185 HA PRO 57 HA PRO 57 13.503 -0.922 4.416 186 HB2 PRO 57 HB2 PRO 57 13.121 -3.372 3.282 187 HB3 PRO 57 HB3 PRO 57 13.526 -3.152 4.990 188 HG2 PRO 57 HG2 PRO 57 10.849 -3.592 3.709 189 HG3 PRO 57 HG3 PRO 57 11.532 -4.361 5.157 190 HD2 PRO 57 HD2 PRO 57 9.773 -2.355 5.338 191 HD3 PRO 57 HD3 PRO 57 11.128 -2.498 6.479 192 H ARG 58 H ARG 58 10.428 -1.196 2.856 193 HA ARG 58 HA ARG 58 11.496 -1.484 0.192 194 HE ARG 58 HE ARG 58 10.463 -5.466 -0.195 195 HB2 ARG 58 HB2 ARG 58 8.779 -1.344 1.425 196 HB3 ARG 58 HB3 ARG 58 8.949 -1.127 -0.307 197 HG2 ARG 58 HG2 ARG 58 9.927 -3.526 1.242 198 HG3 ARG 58 HG3 ARG 58 8.403 -3.449 0.357 199 HD2 ARG 58 HD2 ARG 58 9.599 -3.106 -1.726 200 HD3 ARG 58 HD3 ARG 58 11.137 -3.080 -0.864 201 HH11 ARG 58 HH12 ARG 58 9.670 -3.964 -3.261 202 HH12 ARG 58 HH11 ARG 58 9.622 -5.465 -4.134 203 HH21 ARG 58 HH22 ARG 58 10.404 -7.436 -1.341 204 HH22 ARG 58 HH21 ARG 58 10.045 -7.445 -3.045 205 H LEU 59 H LEU 59 9.837 1.032 2.047 206 HA LEU 59 HA LEU 59 10.029 2.825 -0.264 207 HG LEU 59 HG LEU 59 7.534 1.371 0.788 208 HB2 LEU 59 HB2 LEU 59 8.494 3.102 2.319 209 HB3 LEU 59 HB3 LEU 59 8.448 4.242 0.989 210 HD11 LEU 59 HD11 LEU 59 6.130 2.643 2.340 211 HD12 LEU 59 HD12 LEU 59 5.908 3.891 1.113 212 HD13 LEU 59 HD13 LEU 59 5.270 2.269 0.846 213 HD21 LEU 59 HD21 LEU 59 7.171 3.727 -1.061 214 HD22 LEU 59 HD22 LEU 59 8.267 2.370 -1.327 215 HD23 LEU 59 HD23 LEU 59 6.524 2.104 -1.302 216 H GLN 60 H GLN 60 11.505 2.179 2.710 217 HA GLN 60 HA GLN 60 12.855 3.284 4.157 218 HB2 GLN 60 HB2 GLN 60 13.504 4.720 1.593 219 HB3 GLN 60 HB3 GLN 60 14.316 5.106 3.106 220 HG2 GLN 60 HG2 GLN 60 15.058 2.774 3.281 221 HG3 GLN 60 HG3 GLN 60 14.281 2.425 1.739 222 HE21 GLN 60 HE21 GLN 60 17.095 2.270 2.591 223 HE22 GLN 60 HE22 GLN 60 17.967 3.241 1.456 224 H CYS 61 H CYS 61 10.159 4.075 3.856 225 HA CYS 61 HA CYS 61 10.171 6.946 4.456 226 HG CYS 61 HG CYS 61 9.509 6.997 1.911 227 HB2 CYS 61 HB2 CYS 61 7.880 5.006 4.052 228 HB3 CYS 61 HB3 CYS 61 7.686 6.720 4.407 229 H SER 62 H SER 62 9.235 7.738 6.417 230 HA SER 62 HA SER 62 9.489 5.912 8.658 231 HG SER 62 HG SER 62 11.015 8.879 9.433 232 HB2 SER 62 HB2 SER 62 8.664 8.828 8.641 233 HB3 SER 62 HB3 SER 62 9.202 7.892 10.036 234 H LEU 63 H LEU 63 7.814 4.501 8.441 235 HA LEU 63 HA LEU 63 5.146 5.422 7.760 236 HG LEU 63 HG LEU 63 5.344 2.056 6.246 237 HB2 LEU 63 HB2 LEU 63 6.032 2.677 8.660 238 HB3 LEU 63 HB3 LEU 63 4.443 3.085 8.063 239 HD11 LEU 63 HD11 LEU 63 6.269 4.878 5.799 240 HD12 LEU 63 HD12 LEU 63 6.006 3.654 4.553 241 HD13 LEU 63 HD13 LEU 63 4.645 4.251 5.508 242 HD21 LEU 63 HD21 LEU 63 7.663 2.149 5.564 243 HD22 LEU 63 HD22 LEU 63 8.008 3.281 6.871 244 HD23 LEU 63 HD23 LEU 63 7.491 1.638 7.244 245 H ASP 64 H ASP 64 4.097 6.526 9.333 246 HA ASP 64 HA ASP 64 3.585 5.226 11.838 247 HB2 ASP 64 HB2 ASP 64 5.789 6.217 12.307 248 HB3 ASP 64 HB3 ASP 64 5.156 7.807 11.893 249 H ALA 65 H ALA 65 3.623 8.661 10.759 250 HA ALA 65 HA ALA 65 1.116 9.168 11.972 251 HB1 ALA 65 HB1 ALA 65 2.818 10.891 11.640 252 HB2 ALA 65 HB2 ALA 65 2.591 10.780 9.895 253 HB3 ALA 65 HB3 ALA 65 1.277 11.356 10.921 254 H HIS 66 H HIS 66 2.014 8.061 8.812 255 HA HIS 66 HA HIS 66 -0.548 8.740 7.685 256 HD2 HIS 66 HD2 HIS 66 2.606 6.259 4.639 257 HE1 HIS 66 HE1 HIS 66 5.341 7.861 7.425 258 HE2 HIS 66 HE2 HIS 66 5.095 6.649 5.222 259 HB2 HIS 66 HB2 HIS 66 0.406 7.150 5.771 260 HB3 HIS 66 HB3 HIS 66 0.800 8.848 5.888 261 H GLU 67 H GLU 67 -2.194 7.533 7.235 262 HA GLU 67 HA GLU 67 -2.448 5.094 8.807 263 HB2 GLU 67 HB2 GLU 67 -4.860 5.379 8.396 264 HB3 GLU 67 HB3 GLU 67 -4.143 6.836 9.070 265 HG2 GLU 67 HG2 GLU 67 -4.025 7.763 6.763 266 HG3 GLU 67 HG3 GLU 67 -4.915 6.346 6.206 267 H ILE 68 H ILE 68 -3.987 3.404 7.740 268 HA ILE 68 HA ILE 68 -2.829 2.836 5.091 269 HB ILE 68 HB ILE 68 -4.178 0.632 6.511 270 HG12 ILE 68 HG12 ILE 68 -2.924 1.846 8.351 271 HG13 ILE 68 HG13 ILE 68 -2.437 0.177 8.086 272 HG21 ILE 68 HG21 ILE 68 -2.289 -0.621 5.614 273 HG22 ILE 68 HG22 ILE 68 -3.046 0.369 4.365 274 HG23 ILE 68 HG23 ILE 68 -1.526 0.883 5.098 275 HD11 ILE 68 HD11 ILE 68 -0.515 1.575 8.474 276 HD12 ILE 68 HD12 ILE 68 -0.493 0.968 6.819 277 HD13 ILE 68 HD13 ILE 68 -0.978 2.633 7.141 278 H CYS 69 H CYS 69 -4.227 1.751 3.535 279 HA CYS 69 HA CYS 69 -7.073 2.100 3.847 280 HG CYS 69 HG CYS 69 -6.311 4.508 4.965 281 HB2 CYS 69 HB2 CYS 69 -5.445 3.890 2.032 282 HB3 CYS 69 HB3 CYS 69 -7.185 3.665 1.865 283 H LEU 70 H LEU 70 -8.160 1.599 1.693 284 HA LEU 70 HA LEU 70 -6.504 -0.043 -0.064 285 HG LEU 70 HG LEU 70 -6.757 -2.193 -0.460 286 HB2 LEU 70 HB2 LEU 70 -7.693 -1.336 1.861 287 HB3 LEU 70 HB3 LEU 70 -9.136 -1.086 0.894 288 HD11 LEU 70 HD11 LEU 70 -8.526 -3.782 1.388 289 HD12 LEU 70 HD12 LEU 70 -7.305 -4.448 0.304 290 HD13 LEU 70 HD13 LEU 70 -6.822 -3.414 1.649 291 HD21 LEU 70 HD21 LEU 70 -8.486 -3.482 -1.641 292 HD22 LEU 70 HD22 LEU 70 -9.717 -2.775 -0.596 293 HD23 LEU 70 HD23 LEU 70 -8.807 -1.749 -1.705 294 H GLN 71 H GLN 71 -6.862 0.718 -2.035 295 HA GLN 71 HA GLN 71 -7.803 1.882 -3.748 296 HB2 GLN 71 HB2 GLN 71 -10.149 0.207 -2.834 297 HB3 GLN 71 HB3 GLN 71 -10.117 1.112 -4.344 298 HG2 GLN 71 HG2 GLN 71 -8.539 -0.254 -5.300 299 HG3 GLN 71 HG3 GLN 71 -7.904 -0.785 -3.746 300 HE21 GLN 71 HE21 GLN 71 -8.008 -2.927 -4.277 301 HE22 GLN 71 HE22 GLN 71 -9.494 -3.796 -4.375 302 H ASP 72 H ASP 72 -7.677 3.119 -1.256 303 HA ASP 72 HA ASP 72 -7.966 5.309 -0.709 304 HB2 ASP 72 HB2 ASP 72 -8.825 5.926 -2.887 305 HB3 ASP 72 HB3 ASP 72 -10.409 5.264 -2.488 306 H ILE 73 H ILE 73 -10.240 2.774 -0.270 307 HA ILE 73 HA ILE 73 -11.785 3.971 1.804 308 HB ILE 73 HB ILE 73 -11.080 1.055 1.768 309 HG12 ILE 73 HG12 ILE 73 -13.338 2.126 0.096 310 HG13 ILE 73 HG13 ILE 73 -11.722 1.919 -0.579 311 HG21 ILE 73 HG21 ILE 73 -12.427 1.891 3.601 312 HG22 ILE 73 HG22 ILE 73 -13.594 2.558 2.461 313 HG23 ILE 73 HG23 ILE 73 -13.377 0.813 2.579 314 HD11 ILE 73 HD11 ILE 73 -11.782 -0.456 0.091 315 HD12 ILE 73 HD12 ILE 73 -13.444 -0.224 0.637 316 HD13 ILE 73 HD13 ILE 73 -13.046 -0.024 -1.070 317 H GLN 74 H GLN 74 -10.952 4.623 3.711 318 HA GLN 74 HA GLN 74 -8.380 3.875 4.607 319 HB2 GLN 74 HB2 GLN 74 -9.494 4.841 6.872 320 HB3 GLN 74 HB3 GLN 74 -8.819 5.854 5.598 321 HG2 GLN 74 HG2 GLN 74 -11.676 5.078 5.385 322 HG3 GLN 74 HG3 GLN 74 -11.228 6.258 6.615 323 HE21 GLN 74 HE21 GLN 74 -9.409 6.055 3.641 324 HE22 GLN 74 HE22 GLN 74 -10.009 7.526 2.957 325 H LEU 75 H LEU 75 -7.726 2.473 6.164 326 HA LEU 75 HA LEU 75 -9.661 0.325 6.781 327 HG LEU 75 HG LEU 75 -8.464 0.194 4.189 328 HB2 LEU 75 HB2 LEU 75 -6.728 0.191 6.079 329 HB3 LEU 75 HB3 LEU 75 -7.619 -1.168 6.737 330 HD11 LEU 75 HD11 LEU 75 -7.313 -1.534 2.956 331 HD12 LEU 75 HD12 LEU 75 -6.158 -0.599 3.908 332 HD13 LEU 75 HD13 LEU 75 -6.657 -2.205 4.453 333 HD21 LEU 75 HD21 LEU 75 -8.984 -2.504 5.414 334 HD22 LEU 75 HD22 LEU 75 -10.141 -1.183 5.216 335 HD23 LEU 75 HD23 LEU 75 -9.500 -2.015 3.795 336 H ASP 76 H ASP 76 -8.570 -1.146 8.633 337 HA ASP 76 HA ASP 76 -7.688 0.713 10.721 338 HB2 ASP 76 HB2 ASP 76 -9.630 -1.588 10.854 339 HB3 ASP 76 HB3 ASP 76 -8.764 -1.054 12.288 340 HA PRO 77 HA PRO 77 -3.971 -1.899 10.509 341 HB2 PRO 77 HB2 PRO 77 -3.544 -0.159 12.898 342 HB3 PRO 77 HB3 PRO 77 -2.437 -0.544 11.573 343 HG2 PRO 77 HG2 PRO 77 -3.647 1.825 11.676 344 HG3 PRO 77 HG3 PRO 77 -3.426 0.985 10.130 345 HD2 PRO 77 HD2 PRO 77 -5.891 1.302 11.777 346 HD3 PRO 77 HD3 PRO 77 -5.714 1.241 10.010 347 H ASP 78 H ASP 78 -6.222 -1.258 13.057 348 HA ASP 78 HA ASP 78 -5.274 -3.163 14.958 349 HB2 ASP 78 HB2 ASP 78 -8.011 -1.908 14.641 350 HB3 ASP 78 HB3 ASP 78 -7.426 -2.750 16.075 351 H ARG 79 H ARG 79 -6.826 -3.491 11.998 352 HA ARG 79 HA ARG 79 -8.032 -6.060 12.745 353 HE ARG 79 HE ARG 79 -12.129 -3.990 14.733 354 HB2 ARG 79 HB2 ARG 79 -9.298 -3.820 11.152 355 HB3 ARG 79 HB3 ARG 79 -9.944 -5.458 11.216 356 HG2 ARG 79 HG2 ARG 79 -10.290 -5.275 13.602 357 HG3 ARG 79 HG3 ARG 79 -9.537 -3.682 13.617 358 HD2 ARG 79 HD2 ARG 79 -11.330 -2.850 12.146 359 HD3 ARG 79 HD3 ARG 79 -12.093 -4.439 12.206 360 HH11 ARG 79 HH12 ARG 79 -12.506 -1.538 12.256 361 HH12 ARG 79 HH11 ARG 79 -13.438 -0.476 13.271 362 HH21 ARG 79 HH22 ARG 79 -13.343 -2.609 16.065 363 HH22 ARG 79 HH21 ARG 79 -13.898 -1.077 15.446 364 H SER 80 H SER 80 -8.515 -7.422 10.778 365 HA SER 80 HA SER 80 -6.216 -7.221 8.992 366 HG SER 80 HG SER 80 -8.785 -9.138 10.497 367 HB2 SER 80 HB2 SER 80 -6.698 -9.628 8.613 368 HB3 SER 80 HB3 SER 80 -6.439 -9.229 10.310 369 H LEU 81 H LEU 81 -6.605 -8.295 6.747 370 HA LEU 81 HA LEU 81 -8.543 -7.021 5.201 371 HG LEU 81 HG LEU 81 -7.305 -7.076 3.019 372 HB2 LEU 81 HB2 LEU 81 -6.889 -9.461 4.823 373 HB3 LEU 81 HB3 LEU 81 -8.251 -9.248 3.749 374 HD11 LEU 81 HD11 LEU 81 -4.937 -7.873 4.703 375 HD12 LEU 81 HD12 LEU 81 -4.993 -6.527 3.562 376 HD13 LEU 81 HD13 LEU 81 -6.015 -6.509 4.999 377 HD21 LEU 81 HD21 LEU 81 -5.481 -9.460 2.752 378 HD22 LEU 81 HD22 LEU 81 -6.869 -9.084 1.732 379 HD23 LEU 81 HD23 LEU 81 -5.453 -8.033 1.717 380 H PHE 82 H PHE 82 -8.675 -10.075 6.927 381 HA PHE 82 HA PHE 82 -11.229 -10.914 6.145 382 HD1 PHE 82 HD1 PHE 82 -10.702 -12.318 5.371 383 HD2 PHE 82 HD2 PHE 82 -9.475 -13.897 9.118 384 HE1 PHE 82 HE1 PHE 82 -10.333 -14.518 4.320 385 HE2 PHE 82 HE2 PHE 82 -9.095 -16.096 8.077 386 HZ PHE 82 HZ PHE 82 -9.528 -16.406 5.674 387 HB2 PHE 82 HB2 PHE 82 -9.481 -11.373 8.511 388 HB3 PHE 82 HB3 PHE 82 -11.169 -11.788 8.676 389 H ASP 83 H ASP 83 -10.233 -8.396 8.307 390 HA ASP 83 HA ASP 83 -12.964 -7.965 9.264 391 HB2 ASP 83 HB2 ASP 83 -10.398 -6.495 9.885 392 HB3 ASP 83 HB3 ASP 83 -11.952 -6.169 10.640 393 H GLN 84 H GLN 84 -10.900 -6.969 6.781 394 HA GLN 84 HA GLN 84 -12.640 -4.729 6.076 395 HB2 GLN 84 HB2 GLN 84 -9.706 -4.558 6.645 396 HB3 GLN 84 HB3 GLN 84 -10.418 -3.507 5.448 397 HG2 GLN 84 HG2 GLN 84 -10.672 -2.098 7.154 398 HG3 GLN 84 HG3 GLN 84 -12.086 -3.090 7.536 399 HE21 GLN 84 HE21 GLN 84 -8.775 -4.163 7.902 400 HE22 GLN 84 HE22 GLN 84 -8.782 -4.197 9.621 401 H GLY 85 H GLY 85 -13.327 -6.098 4.311 402 HA2 GLY 85 HA2 GLY 85 -12.999 -5.677 1.913 403 HA3 GLY 85 HA3 GLY 85 -11.302 -6.028 2.170 404 H VAL 86 H VAL 86 -10.605 -8.189 2.276 405 HA VAL 86 HA VAL 86 -12.445 -9.850 0.716 406 HB VAL 86 HB VAL 86 -10.475 -11.045 -0.055 407 HG11 VAL 86 HG11 VAL 86 -9.469 -9.237 -1.395 408 HG12 VAL 86 HG12 VAL 86 -11.228 -9.122 -1.335 409 HG13 VAL 86 HG13 VAL 86 -10.239 -8.053 -0.340 410 HG21 VAL 86 HG21 VAL 86 -9.028 -10.875 1.863 411 HG22 VAL 86 HG22 VAL 86 -8.207 -10.205 0.453 412 HG23 VAL 86 HG23 VAL 86 -8.910 -9.126 1.657 413 H LYS 87 H LYS 87 -12.714 -12.043 1.088 414 HA LYS 87 HA LYS 87 -11.440 -13.100 3.519 415 HB2 LYS 87 HB2 LYS 87 -14.030 -14.100 2.329 416 HB3 LYS 87 HB3 LYS 87 -13.326 -14.539 3.879 417 HG2 LYS 87 HG2 LYS 87 -14.374 -11.824 3.134 418 HG3 LYS 87 HG3 LYS 87 -15.202 -13.016 4.134 419 HD2 LYS 87 HD2 LYS 87 -13.841 -12.659 5.933 420 HD3 LYS 87 HD3 LYS 87 -12.444 -12.163 4.954 421 HE2 LYS 87 HE2 LYS 87 -13.280 -10.216 6.064 422 HE3 LYS 87 HE3 LYS 87 -13.737 -10.092 4.367 423 HZ1 LYS 87 HZ1 LYS 87 -15.957 -10.661 4.864 424 HZ2 LYS 87 HZ2 LYS 87 -15.507 -9.502 6.019 425 HZ3 LYS 87 HZ3 LYS 87 -15.572 -11.141 6.446 426 H THR 88 H THR 88 -9.707 -13.432 1.911 427 HA THR 88 HA THR 88 -10.087 -15.933 0.431 428 HB THR 88 HB THR 88 -9.158 -14.161 -0.948 429 HG1 THR 88 HG1 THR 88 -8.310 -16.211 -1.370 430 HG21 THR 88 HG21 THR 88 -6.993 -13.121 -0.464 431 HG22 THR 88 HG22 THR 88 -6.952 -13.946 1.095 432 HG23 THR 88 HG23 THR 88 -8.197 -12.741 0.766 433 H ASP 89 H ASP 89 -6.931 -16.079 0.811 434 HA ASP 89 HA ASP 89 -6.965 -16.828 3.621 435 HB2 ASP 89 HB2 ASP 89 -7.794 -18.848 2.654 436 HB3 ASP 89 HB3 ASP 89 -6.552 -18.831 1.406 437 H GLY 90 H GLY 90 -5.204 -16.237 4.541 438 HA2 GLY 90 HA2 GLY 90 -2.954 -16.531 5.053 439 HA3 GLY 90 HA3 GLY 90 -2.682 -17.102 3.415 440 H THR 91 H THR 91 -1.553 -15.845 2.192 441 HA THR 91 HA THR 91 -1.230 -13.024 2.949 442 HB THR 91 HB THR 91 0.665 -14.864 1.489 443 HG1 THR 91 HG1 THR 91 0.689 -15.385 3.639 444 HG21 THR 91 HG21 THR 91 1.047 -12.010 2.388 445 HG22 THR 91 HG22 THR 91 0.932 -12.572 0.720 446 HG23 THR 91 HG23 THR 91 2.305 -13.049 1.719 447 H VAL 92 H VAL 92 -1.944 -11.537 1.539 448 HA VAL 92 HA VAL 92 -2.120 -12.298 -1.306 449 HB VAL 92 HB VAL 92 -3.665 -10.496 -1.668 450 HG11 VAL 92 HG11 VAL 92 -4.377 -12.222 0.682 451 HG12 VAL 92 HG12 VAL 92 -5.543 -11.254 -0.224 452 HG13 VAL 92 HG13 VAL 92 -4.659 -12.553 -1.025 453 HG21 VAL 92 HG21 VAL 92 -4.529 -9.125 0.175 454 HG22 VAL 92 HG22 VAL 92 -3.333 -9.846 1.256 455 HG23 VAL 92 HG23 VAL 92 -2.809 -8.858 -0.111 456 H GLN 93 H GLN 93 -1.636 -10.514 -2.843 457 HA GLN 93 HA GLN 93 0.741 -9.064 -1.929 458 HB2 GLN 93 HB2 GLN 93 0.639 -10.665 -4.012 459 HB3 GLN 93 HB3 GLN 93 -0.109 -9.287 -4.800 460 HG2 GLN 93 HG2 GLN 93 2.534 -9.067 -3.412 461 HG3 GLN 93 HG3 GLN 93 2.401 -9.606 -5.082 462 HE21 GLN 93 HE21 GLN 93 2.179 -6.941 -2.902 463 HE22 GLN 93 HE22 GLN 93 2.004 -5.705 -4.097 464 H LEU 94 H LEU 94 0.529 -7.027 -1.504 465 HA LEU 94 HA LEU 94 -1.946 -5.637 -2.261 466 HG LEU 94 HG LEU 94 -1.919 -5.142 1.367 467 HB2 LEU 94 HB2 LEU 94 0.116 -4.915 -0.181 468 HB3 LEU 94 HB3 LEU 94 -1.336 -4.000 -0.519 469 HD11 LEU 94 HD11 LEU 94 -2.819 -6.789 -0.950 470 HD12 LEU 94 HD12 LEU 94 -3.339 -7.123 0.703 471 HD13 LEU 94 HD13 LEU 94 -3.703 -5.570 -0.032 472 HD21 LEU 94 HD21 LEU 94 -0.494 -7.578 0.324 473 HD22 LEU 94 HD22 LEU 94 0.079 -6.489 1.586 474 HD23 LEU 94 HD23 LEU 94 -1.355 -7.477 1.859 475 H SER 95 H SER 95 -1.780 -4.433 -4.058 476 HA SER 95 HA SER 95 0.679 -2.989 -4.619 477 HG SER 95 HG SER 95 -0.722 -1.939 -7.696 478 HB2 SER 95 HB2 SER 95 -0.873 -3.863 -6.435 479 HB3 SER 95 HB3 SER 95 -2.025 -2.624 -5.942 480 H VAL 96 H VAL 96 0.649 -2.079 -2.493 481 HA VAL 96 HA VAL 96 -1.386 -0.100 -1.880 482 HB VAL 96 HB VAL 96 -0.867 -1.443 -0.039 483 HG11 VAL 96 HG11 VAL 96 1.407 -1.810 0.819 484 HG12 VAL 96 HG12 VAL 96 1.208 -2.414 -0.827 485 HG13 VAL 96 HG13 VAL 96 2.060 -0.896 -0.541 486 HG21 VAL 96 HG21 VAL 96 -1.092 0.849 0.622 487 HG22 VAL 96 HG22 VAL 96 0.157 0.097 1.610 488 HG23 VAL 96 HG23 VAL 96 0.611 1.168 0.284 489 H GLN 97 H GLN 97 -1.247 1.947 -2.111 490 HA GLN 97 HA GLN 97 1.227 3.187 -3.099 491 HB2 GLN 97 HB2 GLN 97 -1.690 3.918 -3.301 492 HB3 GLN 97 HB3 GLN 97 -0.419 5.018 -3.749 493 HG2 GLN 97 HG2 GLN 97 0.362 3.242 -5.374 494 HG3 GLN 97 HG3 GLN 97 -1.162 2.424 -5.023 495 HE21 GLN 97 HE21 GLN 97 -2.511 5.043 -4.666 496 HE22 GLN 97 HE22 GLN 97 -2.795 5.630 -6.268 497 H VAL 98 H VAL 98 2.011 5.092 -2.122 498 HA VAL 98 HA VAL 98 0.722 5.874 0.359 499 HB VAL 98 HB VAL 98 2.631 6.956 0.985 500 HG11 VAL 98 HG11 VAL 98 3.631 4.785 -0.817 501 HG12 VAL 98 HG12 VAL 98 4.572 5.550 0.464 502 HG13 VAL 98 HG13 VAL 98 3.123 4.627 0.864 503 HG21 VAL 98 HG21 VAL 98 3.361 7.290 -1.897 504 HG22 VAL 98 HG22 VAL 98 2.966 8.543 -0.722 505 HG23 VAL 98 HG23 VAL 98 4.478 7.643 -0.578 506 H ILE 99 H ILE 99 -0.786 7.326 0.309 507 HA ILE 99 HA ILE 99 -0.979 9.108 -2.013 508 HB ILE 99 HB ILE 99 -3.056 8.075 -0.085 509 HG12 ILE 99 HG12 ILE 99 -2.735 7.857 -3.082 510 HG13 ILE 99 HG13 ILE 99 -2.574 6.561 -1.898 511 HG21 ILE 99 HG21 ILE 99 -3.413 10.233 -2.157 512 HG22 ILE 99 HG22 ILE 99 -4.718 9.445 -1.269 513 HG23 ILE 99 HG23 ILE 99 -3.528 10.421 -0.406 514 HD11 ILE 99 HD11 ILE 99 -4.695 6.385 -3.011 515 HD12 ILE 99 HD12 ILE 99 -4.959 6.837 -1.323 516 HD13 ILE 99 HD13 ILE 99 -5.091 8.054 -2.596 517 H SER 100 H SER 100 -0.058 11.090 -1.499 518 HA SER 100 HA SER 100 -1.687 12.431 0.528 519 HG SER 100 HG SER 100 1.795 14.002 -0.398 520 HB2 SER 100 HB2 SER 100 0.208 13.949 0.986 521 HB3 SER 100 HB3 SER 100 0.633 12.281 1.321 522 H TYR 101 H TYR 101 -3.230 13.027 -0.943 523 HA TYR 101 HA TYR 101 -2.404 14.366 -3.406 524 HD1 TYR 101 HD2 TYR 101 -2.014 12.651 -4.295 525 HD2 TYR 101 HD1 TYR 101 -6.028 11.386 -3.628 526 HE1 TYR 101 HE2 TYR 101 -1.490 10.468 -5.288 527 HE2 TYR 101 HE1 TYR 101 -5.508 9.208 -4.627 528 HH TYR 101 HH TYR 101 -3.943 8.148 -6.059 529 HB2 TYR 101 HB2 TYR 101 -5.119 13.368 -2.513 530 HB3 TYR 101 HB3 TYR 101 -4.800 14.151 -4.054 531 H GLN 102 H GLN 102 -2.533 16.494 -3.654 532 HA GLN 102 HA GLN 102 -3.173 18.673 -3.435 533 HB2 GLN 102 HB2 GLN 102 -5.627 17.562 -2.058 534 HB3 GLN 102 HB3 GLN 102 -5.463 19.153 -2.787 535 HG2 GLN 102 HG2 GLN 102 -5.519 18.311 -4.946 536 HG3 GLN 102 HG3 GLN 102 -5.096 16.680 -4.423 537 HE21 GLN 102 HE21 GLN 102 -6.982 16.700 -2.216 538 HE22 GLN 102 HE22 GLN 102 -8.558 16.524 -2.914 539 H GLY 103 H GLY 103 -1.687 17.273 -1.257 540 HA2 GLY 103 HA2 GLY 103 -0.827 17.856 0.802 541 HA3 GLY 103 HA3 GLY 103 -1.778 19.333 0.713 542 H MET 104 H MET 104 -2.304 15.839 1.089 543 HA MET 104 HA MET 104 -4.356 16.455 3.109 544 HB2 MET 104 HB2 MET 104 -5.644 14.591 2.389 545 HB3 MET 104 HB3 MET 104 -5.234 15.498 0.940 546 HG2 MET 104 HG2 MET 104 -3.488 13.908 0.403 547 HG3 MET 104 HG3 MET 104 -3.804 13.027 1.898 548 HE1 MET 104 HE1 MET 104 -6.170 11.895 2.419 549 HE2 MET 104 HE2 MET 104 -7.049 13.333 1.904 550 HE3 MET 104 HE3 MET 104 -7.472 11.758 1.236 551 H GLU 105 H GLU 105 -4.790 14.398 4.458 552 HA GLU 105 HA GLU 105 -2.386 13.719 5.798 553 HB2 GLU 105 HB2 GLU 105 -3.854 12.244 7.175 554 HB3 GLU 105 HB3 GLU 105 -4.402 13.908 7.098 555 HG2 GLU 105 HG2 GLU 105 -5.539 11.709 5.390 556 HG3 GLU 105 HG3 GLU 105 -6.193 12.161 6.960 557 HA PRO 106 HA PRO 106 -1.087 10.687 2.842 558 HB2 PRO 106 HB2 PRO 106 0.672 9.500 4.689 559 HB3 PRO 106 HB3 PRO 106 1.061 10.751 3.505 560 HG2 PRO 106 HG2 PRO 106 0.421 11.012 6.391 561 HG3 PRO 106 HG3 PRO 106 1.530 11.962 5.400 562 HD2 PRO 106 HD2 PRO 106 -0.841 12.937 6.154 563 HD3 PRO 106 HD3 PRO 106 -0.183 13.275 4.538 564 H LYS 107 H LYS 107 -2.312 9.116 2.370 565 HA LYS 107 HA LYS 107 -2.985 7.012 4.343 566 HB2 LYS 107 HB2 LYS 107 -4.272 7.797 1.727 567 HB3 LYS 107 HB3 LYS 107 -4.649 6.306 2.570 568 HG2 LYS 107 HG2 LYS 107 -5.528 7.554 4.443 569 HG3 LYS 107 HG3 LYS 107 -5.077 9.073 3.666 570 HD2 LYS 107 HD2 LYS 107 -6.919 7.040 2.435 571 HD3 LYS 107 HD3 LYS 107 -7.487 8.434 3.372 572 HE2 LYS 107 HE2 LYS 107 -6.166 9.864 1.743 573 HE3 LYS 107 HE3 LYS 107 -5.985 8.405 0.765 574 HZ1 LYS 107 HZ1 LYS 107 -8.633 9.439 1.607 575 HZ2 LYS 107 HZ2 LYS 107 -8.297 8.294 0.402 576 HZ3 LYS 107 HZ3 LYS 107 -7.885 9.920 0.165 577 H LEU 108 H LEU 108 -2.166 4.973 3.981 578 HA LEU 108 HA LEU 108 -0.865 4.534 1.378 579 HG LEU 108 HG LEU 108 1.854 3.530 3.001 580 HB2 LEU 108 HB2 LEU 108 -0.762 2.932 3.945 581 HB3 LEU 108 HB3 LEU 108 -0.009 2.429 2.452 582 HD11 LEU 108 HD11 LEU 108 2.016 5.879 3.141 583 HD12 LEU 108 HD12 LEU 108 0.779 5.511 1.944 584 HD13 LEU 108 HD13 LEU 108 0.310 6.036 3.562 585 HD21 LEU 108 HD21 LEU 108 1.217 2.879 5.255 586 HD22 LEU 108 HD22 LEU 108 2.120 4.394 5.245 587 HD23 LEU 108 HD23 LEU 108 0.366 4.417 5.455 588 H ASN 109 H ASN 109 -2.451 3.896 -0.091 589 HA ASN 109 HA ASN 109 -4.509 2.058 0.928 590 HB2 ASN 109 HB2 ASN 109 -5.761 2.533 -1.141 591 HB3 ASN 109 HB3 ASN 109 -5.543 3.940 -0.138 592 HD21 ASN 109 HD21 ASN 109 -6.196 3.852 -2.911 593 HD22 ASN 109 HD22 ASN 109 -4.921 4.636 -3.769 594 H ILE 110 H ILE 110 -4.618 0.076 0.315 595 HA ILE 110 HA ILE 110 -2.862 -0.956 -1.713 596 HB ILE 110 HB ILE 110 -5.168 -2.300 -0.298 597 HG12 ILE 110 HG12 ILE 110 -2.244 -2.479 0.413 598 HG13 ILE 110 HG13 ILE 110 -3.322 -1.309 1.159 599 HG21 ILE 110 HG21 ILE 110 -2.785 -3.520 -1.670 600 HG22 ILE 110 HG22 ILE 110 -4.165 -4.361 -0.974 601 HG23 ILE 110 HG23 ILE 110 -4.381 -3.352 -2.397 602 HD11 ILE 110 HD11 ILE 110 -4.663 -3.058 2.089 603 HD12 ILE 110 HD12 ILE 110 -3.731 -4.284 1.231 604 HD13 ILE 110 HD13 ILE 110 -2.971 -3.333 2.509 605 H LEU 111 H LEU 111 -3.330 -0.956 -3.812 606 HA LEU 111 HA LEU 111 -6.071 -0.315 -4.575 607 HG LEU 111 HG LEU 111 -4.132 1.987 -6.706 608 HB2 LEU 111 HB2 LEU 111 -3.473 -0.326 -6.091 609 HB3 LEU 111 HB3 LEU 111 -5.014 -0.219 -6.918 610 HD11 LEU 111 HD11 LEU 111 -6.540 1.769 -6.377 611 HD12 LEU 111 HD12 LEU 111 -6.288 1.583 -4.642 612 HD13 LEU 111 HD13 LEU 111 -5.881 3.105 -5.432 613 HD21 LEU 111 HD21 LEU 111 -3.915 1.454 -3.752 614 HD22 LEU 111 HD22 LEU 111 -2.572 1.582 -4.888 615 HD23 LEU 111 HD23 LEU 111 -3.581 2.988 -4.558 616 H GLU 112 H GLU 112 -4.245 -3.090 -4.033 617 HA GLU 112 HA GLU 112 -5.937 -4.653 -5.786 618 HB2 GLU 112 HB2 GLU 112 -4.009 -3.854 -7.214 619 HB3 GLU 112 HB3 GLU 112 -2.947 -4.788 -6.164 620 HG2 GLU 112 HG2 GLU 112 -3.366 -6.160 -8.005 621 HG3 GLU 112 HG3 GLU 112 -4.391 -6.781 -6.709 622 H ILE 113 H ILE 113 -6.329 -6.552 -4.901 623 HA ILE 113 HA ILE 113 -4.406 -7.607 -2.946 624 HB ILE 113 HB ILE 113 -7.409 -7.554 -2.780 625 HG12 ILE 113 HG12 ILE 113 -5.157 -6.733 -0.949 626 HG13 ILE 113 HG13 ILE 113 -6.324 -5.680 -1.740 627 HG21 ILE 113 HG21 ILE 113 -5.544 -9.325 -1.210 628 HG22 ILE 113 HG22 ILE 113 -7.265 -9.105 -0.891 629 HG23 ILE 113 HG23 ILE 113 -6.734 -9.858 -2.397 630 HD11 ILE 113 HD11 ILE 113 -8.107 -6.680 -0.401 631 HD12 ILE 113 HD12 ILE 113 -6.907 -7.708 0.393 632 HD13 ILE 113 HD13 ILE 113 -6.846 -5.956 0.601 633 H VAL 114 H VAL 114 -3.628 -9.524 -3.500 634 HA VAL 114 HA VAL 114 -5.311 -11.373 -4.953 635 HB VAL 114 HB VAL 114 -3.091 -11.791 -6.402 636 HG11 VAL 114 HG11 VAL 114 -5.164 -9.682 -7.014 637 HG12 VAL 114 HG12 VAL 114 -4.129 -10.482 -8.196 638 HG13 VAL 114 HG13 VAL 114 -5.329 -11.414 -7.303 639 HG21 VAL 114 HG21 VAL 114 -3.080 -8.815 -5.872 640 HG22 VAL 114 HG22 VAL 114 -1.859 -9.963 -5.322 641 HG23 VAL 114 HG23 VAL 114 -2.074 -9.663 -7.046 642 H LYS 115 H LYS 115 -5.275 -13.066 -3.692 643 HA LYS 115 HA LYS 115 -3.427 -13.678 -1.753 644 HB2 LYS 115 HB2 LYS 115 -4.385 -15.890 -1.611 645 HB3 LYS 115 HB3 LYS 115 -5.664 -14.711 -1.859 646 HG2 LYS 115 HG2 LYS 115 -6.184 -15.500 -3.930 647 HG3 LYS 115 HG3 LYS 115 -4.537 -16.048 -4.253 648 HD2 LYS 115 HD2 LYS 115 -6.480 -17.357 -2.349 649 HD3 LYS 115 HD3 LYS 115 -6.099 -17.930 -3.974 650 HE2 LYS 115 HE2 LYS 115 -3.726 -18.159 -3.291 651 HE3 LYS 115 HE3 LYS 115 -4.183 -17.694 -1.652 652 HZ1 LYS 115 HZ1 LYS 115 -4.971 -20.139 -3.133 653 HZ2 LYS 115 HZ2 LYS 115 -5.741 -19.651 -1.703 654 HZ3 LYS 115 HZ3 LYS 115 -4.089 -20.037 -1.689 655 H THR 116 H THR 116 -1.644 -14.742 -1.618 656 HA THR 116 HA THR 116 0.271 -15.823 -2.123 657 HB THR 116 HB THR 116 -1.220 -16.753 -4.578 658 HG1 THR 116 HG1 THR 116 -0.806 -17.825 -1.971 659 HG21 THR 116 HG21 THR 116 1.369 -17.720 -3.391 660 HG22 THR 116 HG22 THR 116 1.193 -16.811 -4.891 661 HG23 THR 116 HG23 THR 116 0.524 -18.439 -4.762 662 H ALA 117 H ALA 117 -0.707 -15.049 -5.456 663 HA ALA 117 HA ALA 117 1.128 -12.792 -5.477 664 HB1 ALA 117 HB1 ALA 117 1.372 -15.076 -7.432 665 HB2 ALA 117 HB2 ALA 117 2.268 -13.559 -7.502 666 HB3 ALA 117 HB3 ALA 117 2.525 -14.674 -6.160 667 H GLU 118 H GLU 118 -0.454 -14.684 -8.055 668 HA GLU 118 HA GLU 118 -2.421 -12.536 -8.290 669 HB2 GLU 118 HB2 GLU 118 -2.219 -12.432 -10.710 670 HB3 GLU 118 HB3 GLU 118 -0.689 -12.039 -9.950 671 HG2 GLU 118 HG2 GLU 118 -1.345 -14.731 -11.121 672 HG3 GLU 118 HG3 GLU 118 -0.529 -13.443 -12.001 673 H THR 119 H THR 119 -4.191 -13.748 -7.584 674 HA THR 119 HA THR 119 -5.309 -15.408 -9.555 675 HB THR 119 HB THR 119 -3.743 -17.067 -8.690 676 HG1 THR 119 HG1 THR 119 -6.015 -17.539 -9.420 677 HG21 THR 119 HG21 THR 119 -3.612 -16.322 -6.370 678 HG22 THR 119 HG22 THR 119 -4.062 -18.025 -6.460 679 HG23 THR 119 HG23 THR 119 -5.287 -16.805 -6.110 680 H VAL 120 H VAL 120 -5.585 -14.049 -6.342 681 HA VAL 120 HA VAL 120 -8.302 -14.981 -6.126 682 HB VAL 120 HB VAL 120 -6.776 -14.299 -4.139 683 HG11 VAL 120 HG11 VAL 120 -8.040 -11.639 -4.774 684 HG12 VAL 120 HG12 VAL 120 -7.173 -12.044 -3.292 685 HG13 VAL 120 HG13 VAL 120 -6.317 -12.014 -4.834 686 HG21 VAL 120 HG21 VAL 120 -8.765 -13.805 -2.784 687 HG22 VAL 120 HG22 VAL 120 -9.694 -13.559 -4.262 688 HG23 VAL 120 HG23 VAL 120 -9.023 -15.150 -3.895 689 H GLU 121 H GLU 121 -10.096 -14.090 -6.739 690 HA GLU 121 HA GLU 121 -10.078 -11.354 -7.842 691 HB2 GLU 121 HB2 GLU 121 -11.820 -13.623 -8.830 692 HB3 GLU 121 HB3 GLU 121 -11.557 -12.062 -9.588 693 HG2 GLU 121 HG2 GLU 121 -9.272 -13.953 -9.239 694 HG3 GLU 121 HG3 GLU 121 -10.426 -14.189 -10.550 695 H TRP 122 H TRP 122 -11.880 -10.088 -7.184 696 HA TRP 122 HA TRP 122 -13.872 -11.524 -5.579 697 HD1 TRP 122 HD1 TRP 122 -14.358 -7.241 -4.251 698 HE1 TRP 122 HE1 TRP 122 -12.827 -5.225 -4.717 699 HE3 TRP 122 HE3 TRP 122 -10.060 -9.741 -5.407 700 HZ2 TRP 122 HZ2 TRP 122 -10.146 -4.764 -5.468 701 HZ3 TRP 122 HZ3 TRP 122 -8.060 -8.448 -5.987 702 HH2 TRP 122 HH2 TRP 122 -8.101 -6.006 -6.014 703 HB2 TRP 122 HB2 TRP 122 -13.956 -9.775 -3.916 704 HB3 TRP 122 HB3 TRP 122 -12.313 -10.374 -4.048
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