NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
563353 | 2lwp | 18416 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 8.622 10.727 -15.015 2 H2 MET 1 H2 MET 1 8.005 9.962 -13.633 3 H3 MET 1 H3 MET 1 9.007 11.322 -13.475 4 HA MET 1 HA MET 1 7.407 12.752 -14.408 5 HB2 MET 1 HB2 MET 1 5.287 12.046 -15.251 6 HB3 MET 1 HB3 MET 1 6.517 11.075 -16.043 7 HG2 MET 1 HG2 MET 1 4.955 10.116 -13.661 8 HG3 MET 1 HG3 MET 1 4.429 9.872 -15.324 9 HE1 MET 1 HE1 MET 1 7.164 7.524 -16.771 10 HE2 MET 1 HE2 MET 1 5.630 8.345 -17.057 11 HE3 MET 1 HE3 MET 1 7.113 9.284 -16.886 12 H ALA 2 H ALA 2 7.167 10.129 -12.133 13 HA ALA 2 HA ALA 2 5.997 11.908 -10.179 14 HB1 ALA 2 HB1 ALA 2 4.008 11.040 -11.338 15 HB2 ALA 2 HB2 ALA 2 4.521 9.395 -10.966 16 HB3 ALA 2 HB3 ALA 2 4.084 10.499 -9.662 17 H LYS 3 H LYS 3 5.264 10.020 -8.293 18 HA LYS 3 HA LYS 3 7.566 9.353 -6.981 19 HB2 LYS 3 HB2 LYS 3 5.413 9.259 -5.891 20 HB3 LYS 3 HB3 LYS 3 4.903 7.932 -6.925 21 HG2 LYS 3 HG2 LYS 3 6.985 6.721 -5.893 22 HG3 LYS 3 HG3 LYS 3 6.777 7.917 -4.611 23 HD2 LYS 3 HD2 LYS 3 4.215 6.879 -5.240 24 HD3 LYS 3 HD3 LYS 3 5.318 5.511 -5.060 25 HE2 LYS 3 HE2 LYS 3 4.247 6.094 -2.949 26 HE3 LYS 3 HE3 LYS 3 5.997 6.300 -2.881 27 HZ1 LYS 3 HZ1 LYS 3 5.723 8.672 -3.127 28 HZ2 LYS 3 HZ2 LYS 3 4.787 8.138 -1.821 29 HZ3 LYS 3 HZ3 LYS 3 4.048 8.514 -3.297 30 H THR 4 H THR 4 9.168 8.059 -7.427 31 HA THR 4 HA THR 4 8.802 5.308 -8.121 32 HB THR 4 HB THR 4 10.602 5.751 -10.086 33 HG1 THR 4 HG1 THR 4 9.147 8.121 -9.771 34 HG21 THR 4 HG21 THR 4 8.565 4.405 -10.293 35 HG22 THR 4 HG22 THR 4 8.799 5.439 -11.702 36 HG23 THR 4 HG23 THR 4 7.610 5.875 -10.474 37 H GLU 5 H GLU 5 11.342 7.759 -8.568 38 HA GLU 5 HA GLU 5 13.256 6.110 -7.154 39 HB2 GLU 5 HB2 GLU 5 13.444 8.725 -8.636 40 HB3 GLU 5 HB3 GLU 5 14.789 8.094 -7.694 41 HG2 GLU 5 HG2 GLU 5 13.447 6.599 -9.933 42 HG3 GLU 5 HG3 GLU 5 14.899 7.582 -10.121 43 H GLU 6 H GLU 6 12.332 6.135 -5.105 44 HA GLU 6 HA GLU 6 12.859 8.578 -3.558 45 HB2 GLU 6 HB2 GLU 6 10.364 6.885 -3.447 46 HB3 GLU 6 HB3 GLU 6 10.785 8.056 -2.219 47 HG2 GLU 6 HG2 GLU 6 10.406 8.803 -5.099 48 HG3 GLU 6 HG3 GLU 6 9.068 8.703 -3.953 49 H MET 7 H MET 7 11.215 5.662 -2.608 50 HA MET 7 HA MET 7 11.488 4.275 -0.870 51 HB2 MET 7 HB2 MET 7 14.020 4.087 -2.412 52 HB3 MET 7 HB3 MET 7 13.939 3.263 -0.857 53 HG2 MET 7 HG2 MET 7 12.088 1.962 -1.548 54 HG3 MET 7 HG3 MET 7 11.902 2.900 -3.034 55 HE1 MET 7 HE1 MET 7 11.811 0.576 -4.376 56 HE2 MET 7 HE2 MET 7 13.067 -0.658 -4.271 57 HE3 MET 7 HE3 MET 7 12.046 -0.320 -2.874 58 H VAL 8 H VAL 8 11.441 6.660 0.190 59 HA VAL 8 HA VAL 8 12.686 6.297 2.655 60 HB VAL 8 HB VAL 8 14.764 6.844 1.504 61 HG11 VAL 8 HG11 VAL 8 13.480 9.454 0.730 62 HG12 VAL 8 HG12 VAL 8 15.177 9.035 0.494 63 HG13 VAL 8 HG13 VAL 8 13.920 8.134 -0.354 64 HG21 VAL 8 HG21 VAL 8 15.541 8.756 2.854 65 HG22 VAL 8 HG22 VAL 8 13.869 9.078 3.311 66 HG23 VAL 8 HG23 VAL 8 14.639 7.564 3.792 67 H GLN 9 H GLN 9 10.188 6.728 2.513 68 HA GLN 9 HA GLN 9 9.882 9.582 3.232 69 HB2 GLN 9 HB2 GLN 9 7.910 7.703 1.970 70 HB3 GLN 9 HB3 GLN 9 7.410 9.188 2.763 71 HG2 GLN 9 HG2 GLN 9 9.347 9.030 0.467 72 HG3 GLN 9 HG3 GLN 9 7.632 9.405 0.318 73 HE21 GLN 9 HE21 GLN 9 6.881 11.400 1.007 74 HE22 GLN 9 HE22 GLN 9 7.943 12.727 1.318 75 H THR 10 H THR 10 8.151 6.499 3.938 76 HA THR 10 HA THR 10 8.066 7.364 6.752 77 HB THR 10 HB THR 10 6.252 5.335 5.423 78 HG1 THR 10 HG1 THR 10 4.696 7.131 5.594 79 HG21 THR 10 HG21 THR 10 6.088 6.762 8.089 80 HG22 THR 10 HG22 THR 10 6.459 5.056 7.843 81 HG23 THR 10 HG23 THR 10 4.862 5.679 7.432 82 H GLU 11 H GLU 11 9.612 6.422 7.901 83 HA GLU 11 HA GLU 11 10.711 3.880 7.076 84 HB2 GLU 11 HB2 GLU 11 12.072 5.882 7.753 85 HB3 GLU 11 HB3 GLU 11 11.562 5.579 9.407 86 HG2 GLU 11 HG2 GLU 11 12.693 3.508 9.473 87 HG3 GLU 11 HG3 GLU 11 12.966 3.525 7.731 88 H GLU 12 H GLU 12 11.274 2.254 8.621 89 HA GLU 12 HA GLU 12 9.968 1.754 11.058 90 HB2 GLU 12 HB2 GLU 12 7.951 1.540 9.680 91 HB3 GLU 12 HB3 GLU 12 8.778 0.446 8.587 92 HG2 GLU 12 HG2 GLU 12 7.207 -0.694 10.085 93 HG3 GLU 12 HG3 GLU 12 8.864 -1.260 10.276 94 H MET 13 H MET 13 10.361 -0.737 11.575 95 HA MET 13 HA MET 13 13.122 -0.885 11.600 96 HB2 MET 13 HB2 MET 13 11.219 -3.179 12.024 97 HB3 MET 13 HB3 MET 13 12.895 -3.107 12.546 98 HG2 MET 13 HG2 MET 13 10.648 -1.364 13.516 99 HG3 MET 13 HG3 MET 13 11.426 -2.673 14.401 100 HE1 MET 13 HE1 MET 13 11.018 0.218 15.599 101 HE2 MET 13 HE2 MET 13 11.832 -1.079 16.475 102 HE3 MET 13 HE3 MET 13 12.590 0.509 16.346 103 H GLU 14 H GLU 14 10.963 -2.742 9.361 104 HA GLU 14 HA GLU 14 13.457 -3.634 8.070 105 HB2 GLU 14 HB2 GLU 14 11.867 -5.421 8.685 106 HB3 GLU 14 HB3 GLU 14 10.666 -4.686 7.637 107 HG2 GLU 14 HG2 GLU 14 11.643 -6.512 6.454 108 HG3 GLU 14 HG3 GLU 14 12.225 -5.023 5.713 109 H THR 15 H THR 15 10.820 -1.498 7.643 110 HA THR 15 HA THR 15 10.754 -1.479 4.788 111 HB THR 15 HB THR 15 9.500 0.579 4.968 112 HG1 THR 15 HG1 THR 15 10.795 0.676 7.437 113 HG21 THR 15 HG21 THR 15 8.794 -1.255 7.268 114 HG22 THR 15 HG22 THR 15 8.328 -1.496 5.584 115 HG23 THR 15 HG23 THR 15 7.710 -0.108 6.478 116 HA PRO 16 HA PRO 16 14.330 1.086 4.254 117 HB2 PRO 16 HB2 PRO 16 14.044 1.513 1.577 118 HB3 PRO 16 HB3 PRO 16 14.629 -0.006 2.259 119 HG2 PRO 16 HG2 PRO 16 12.111 0.552 0.923 120 HG3 PRO 16 HG3 PRO 16 12.828 -1.009 1.353 121 HD2 PRO 16 HD2 PRO 16 10.734 0.508 2.726 122 HD3 PRO 16 HD3 PRO 16 11.281 -1.175 3.001 123 H ARG 17 H ARG 17 12.016 2.185 5.325 124 HA ARG 17 HA ARG 17 10.812 4.062 5.638 125 HB2 ARG 17 HB2 ARG 17 13.193 4.993 5.550 126 HB3 ARG 17 HB3 ARG 17 12.833 5.468 3.894 127 HG2 ARG 17 HG2 ARG 17 11.116 6.947 4.611 128 HG3 ARG 17 HG3 ARG 17 11.206 6.340 6.266 129 HD2 ARG 17 HD2 ARG 17 13.484 7.202 6.454 130 HD3 ARG 17 HD3 ARG 17 13.390 7.798 4.794 131 HE ARG 17 HE ARG 17 11.702 9.363 5.523 132 HH11 ARG 17 HH11 ARG 17 13.507 7.755 8.076 133 HH12 ARG 17 HH12 ARG 17 13.166 8.993 9.255 134 HH21 ARG 17 HH21 ARG 17 11.247 10.961 7.059 135 HH22 ARG 17 HH22 ARG 17 11.862 10.812 8.679 136 H LEU 18 H LEU 18 9.473 2.638 4.052 137 HA LEU 18 HA LEU 18 9.068 4.125 1.552 138 HB2 LEU 18 HB2 LEU 18 8.849 1.289 2.284 139 HB3 LEU 18 HB3 LEU 18 7.631 1.926 1.202 140 HG LEU 18 HG LEU 18 9.189 2.465 -0.466 141 HD11 LEU 18 HD11 LEU 18 11.367 1.931 1.534 142 HD12 LEU 18 HD12 LEU 18 11.596 2.330 -0.168 143 HD13 LEU 18 HD13 LEU 18 10.866 3.508 0.924 144 HD21 LEU 18 HD21 LEU 18 10.078 -0.143 0.763 145 HD22 LEU 18 HD22 LEU 18 8.681 0.077 -0.292 146 HD23 LEU 18 HD23 LEU 18 10.307 0.355 -0.913 147 H SER 19 H SER 19 7.293 5.185 1.143 148 HA SER 19 HA SER 19 4.967 4.818 2.888 149 HB2 SER 19 HB2 SER 19 5.785 6.841 3.635 150 HB3 SER 19 HB3 SER 19 6.427 7.281 2.047 151 HG SER 19 HG SER 19 4.010 7.847 3.146 152 H VAL 20 H VAL 20 3.159 4.484 1.892 153 HA VAL 20 HA VAL 20 3.024 4.743 -1.022 154 HB VAL 20 HB VAL 20 2.631 2.494 0.028 155 HG11 VAL 20 HG11 VAL 20 0.115 3.814 1.013 156 HG12 VAL 20 HG12 VAL 20 0.500 2.096 1.124 157 HG13 VAL 20 HG13 VAL 20 1.461 3.274 2.018 158 HG21 VAL 20 HG21 VAL 20 0.311 3.675 -1.481 159 HG22 VAL 20 HG22 VAL 20 1.774 2.993 -2.191 160 HG23 VAL 20 HG23 VAL 20 0.658 1.956 -1.304 161 H ILE 21 H ILE 21 1.160 5.545 -1.984 162 HA ILE 21 HA ILE 21 -0.288 7.536 -0.384 163 HB ILE 21 HB ILE 21 -0.639 7.170 -3.333 164 HG12 ILE 21 HG12 ILE 21 1.693 8.671 -2.151 165 HG13 ILE 21 HG13 ILE 21 1.827 7.008 -2.732 166 HG21 ILE 21 HG21 ILE 21 -0.470 9.603 -1.562 167 HG22 ILE 21 HG22 ILE 21 -0.846 9.603 -3.284 168 HG23 ILE 21 HG23 ILE 21 -1.956 8.850 -2.138 169 HD11 ILE 21 HD11 ILE 21 1.019 9.410 -4.371 170 HD12 ILE 21 HD12 ILE 21 2.590 8.611 -4.398 171 HD13 ILE 21 HD13 ILE 21 1.157 7.755 -4.963 172 H VAL 22 H VAL 22 -2.163 6.800 0.490 173 HA VAL 22 HA VAL 22 -3.704 4.807 -1.039 174 HB VAL 22 HB VAL 22 -4.069 5.490 1.876 175 HG11 VAL 22 HG11 VAL 22 -5.993 4.487 0.792 176 HG12 VAL 22 HG12 VAL 22 -4.993 3.154 0.215 177 HG13 VAL 22 HG13 VAL 22 -5.270 3.365 1.944 178 HG21 VAL 22 HG21 VAL 22 -2.455 3.251 0.665 179 HG22 VAL 22 HG22 VAL 22 -1.829 4.617 1.589 180 HG23 VAL 22 HG23 VAL 22 -2.853 3.416 2.375 181 H THR 23 H THR 23 -5.352 5.666 -2.139 182 HA THR 23 HA THR 23 -6.810 7.840 -0.819 183 HB THR 23 HB THR 23 -5.566 8.951 -2.499 184 HG1 THR 23 HG1 THR 23 -7.696 8.969 -4.118 185 HG21 THR 23 HG21 THR 23 -6.573 6.905 -4.471 186 HG22 THR 23 HG22 THR 23 -4.919 7.062 -3.881 187 HG23 THR 23 HG23 THR 23 -5.627 8.338 -4.871 188 H HIS 24 H HIS 24 -8.947 8.059 -1.257 189 HA HIS 24 HA HIS 24 -10.370 6.024 -2.818 190 HB2 HIS 24 HB2 HIS 24 -10.634 5.089 -0.657 191 HB3 HIS 24 HB3 HIS 24 -10.699 6.665 0.116 192 HD1 HIS 24 HD1 HIS 24 -12.923 7.118 1.037 193 HD2 HIS 24 HD2 HIS 24 -13.133 4.874 -2.469 194 HE1 HIS 24 HE1 HIS 24 -15.376 6.695 0.639 195 HE2 HIS 24 HE2 HIS 24 -15.484 5.495 -1.577 196 H SER 25 H SER 25 -11.385 7.310 -4.293 197 HA SER 25 HA SER 25 -12.497 9.056 -5.249 198 HB2 SER 25 HB2 SER 25 -13.036 9.817 -2.371 199 HB3 SER 25 HB3 SER 25 -13.719 10.673 -3.745 200 HG SER 25 HG SER 25 -15.021 8.926 -2.745 201 H ASN 26 H ASN 26 -10.565 10.060 -2.481 202 HA ASN 26 HA ASN 26 -8.646 11.565 -3.825 203 HB2 ASN 26 HB2 ASN 26 -10.555 13.112 -4.304 204 HB3 ASN 26 HB3 ASN 26 -10.830 13.270 -2.574 205 HD21 ASN 26 HD21 ASN 26 -7.679 13.134 -4.149 206 HD22 ASN 26 HD22 ASN 26 -7.219 14.752 -3.752 207 H GLU 27 H GLU 27 -10.673 11.054 -1.111 208 HA GLU 27 HA GLU 27 -9.369 11.754 1.142 209 HB2 GLU 27 HB2 GLU 27 -11.520 10.607 0.905 210 HB3 GLU 27 HB3 GLU 27 -10.689 9.124 0.490 211 HG2 GLU 27 HG2 GLU 27 -9.723 9.038 2.729 212 HG3 GLU 27 HG3 GLU 27 -10.579 10.528 3.146 213 H ARG 28 H ARG 28 -7.238 11.599 1.529 214 HA ARG 28 HA ARG 28 -5.791 9.210 0.594 215 HB2 ARG 28 HB2 ARG 28 -5.409 11.414 -0.640 216 HB3 ARG 28 HB3 ARG 28 -4.626 11.986 0.823 217 HG2 ARG 28 HG2 ARG 28 -3.716 9.508 -0.613 218 HG3 ARG 28 HG3 ARG 28 -3.140 11.116 -1.044 219 HD2 ARG 28 HD2 ARG 28 -2.859 9.785 1.650 220 HD3 ARG 28 HD3 ARG 28 -1.579 9.980 0.455 221 HE ARG 28 HE ARG 28 -2.854 12.428 1.403 222 HH11 ARG 28 HH11 ARG 28 -0.139 10.214 1.681 223 HH12 ARG 28 HH12 ARG 28 0.870 11.360 2.500 224 HH21 ARG 28 HH21 ARG 28 -1.509 13.927 2.499 225 HH22 ARG 28 HH22 ARG 28 0.101 13.452 2.967 226 H TYR 29 H TYR 29 -4.693 8.104 2.030 227 HA TYR 29 HA TYR 29 -3.759 9.439 4.479 228 HB2 TYR 29 HB2 TYR 29 -4.959 6.687 4.194 229 HB3 TYR 29 HB3 TYR 29 -3.935 7.117 5.560 230 HD1 TYR 29 HD1 TYR 29 -4.672 8.865 7.150 231 HD2 TYR 29 HD2 TYR 29 -7.222 7.457 4.050 232 HE1 TYR 29 HE1 TYR 29 -6.609 9.828 8.315 233 HE2 TYR 29 HE2 TYR 29 -9.167 8.419 5.207 234 HH TYR 29 HH TYR 29 -9.724 9.008 7.681 235 H ASP 30 H ASP 30 -1.669 9.131 4.996 236 HA ASP 30 HA ASP 30 0.078 7.890 3.044 237 HB2 ASP 30 HB2 ASP 30 0.649 9.999 4.269 238 HB3 ASP 30 HB3 ASP 30 0.692 9.087 5.771 239 H LEU 31 H LEU 31 0.652 5.816 3.104 240 HA LEU 31 HA LEU 31 0.384 4.328 5.634 241 HB2 LEU 31 HB2 LEU 31 -1.193 4.034 3.348 242 HB3 LEU 31 HB3 LEU 31 -0.044 2.716 3.257 243 HG LEU 31 HG LEU 31 -2.287 2.215 4.362 244 HD11 LEU 31 HD11 LEU 31 -0.305 0.774 4.634 245 HD12 LEU 31 HD12 LEU 31 0.249 1.768 5.981 246 HD13 LEU 31 HD13 LEU 31 -1.248 0.846 6.122 247 HD21 LEU 31 HD21 LEU 31 -2.426 4.311 5.643 248 HD22 LEU 31 HD22 LEU 31 -2.502 2.901 6.701 249 HD23 LEU 31 HD23 LEU 31 -1.013 3.839 6.588 250 H LEU 32 H LEU 32 1.813 2.372 5.708 251 HA LEU 32 HA LEU 32 4.257 3.019 4.202 252 HB2 LEU 32 HB2 LEU 32 4.952 3.585 6.264 253 HB3 LEU 32 HB3 LEU 32 3.764 2.574 7.070 254 HG LEU 32 HG LEU 32 6.038 1.194 5.732 255 HD11 LEU 32 HD11 LEU 32 7.106 3.106 6.826 256 HD12 LEU 32 HD12 LEU 32 6.289 2.694 8.335 257 HD13 LEU 32 HD13 LEU 32 7.484 1.592 7.652 258 HD21 LEU 32 HD21 LEU 32 4.599 0.836 8.366 259 HD22 LEU 32 HD22 LEU 32 4.300 -0.080 6.888 260 HD23 LEU 32 HD23 LEU 32 5.846 -0.232 7.722 261 H VAL 33 H VAL 33 5.470 1.386 3.359 262 HA VAL 33 HA VAL 33 4.040 -0.883 2.486 263 HB VAL 33 HB VAL 33 6.695 0.286 1.946 264 HG11 VAL 33 HG11 VAL 33 6.437 -2.716 1.767 265 HG12 VAL 33 HG12 VAL 33 7.759 -1.741 1.124 266 HG13 VAL 33 HG13 VAL 33 7.499 -1.836 2.865 267 HG21 VAL 33 HG21 VAL 33 4.790 -1.403 0.334 268 HG22 VAL 33 HG22 VAL 33 4.823 0.359 0.403 269 HG23 VAL 33 HG23 VAL 33 6.180 -0.521 -0.298 270 H THR 34 H THR 34 4.539 -3.153 2.873 271 HA THR 34 HA THR 34 4.573 -3.386 5.748 272 HB THR 34 HB THR 34 4.070 -5.565 3.724 273 HG1 THR 34 HG1 THR 34 2.694 -3.511 3.705 274 HG21 THR 34 HG21 THR 34 4.465 -6.360 6.000 275 HG22 THR 34 HG22 THR 34 2.771 -6.574 5.554 276 HG23 THR 34 HG23 THR 34 3.244 -5.245 6.613 277 HA PRO 35 HA PRO 35 8.831 -4.524 5.815 278 HB2 PRO 35 HB2 PRO 35 8.947 -4.807 8.519 279 HB3 PRO 35 HB3 PRO 35 9.003 -3.240 7.707 280 HG2 PRO 35 HG2 PRO 35 6.710 -4.606 9.053 281 HG3 PRO 35 HG3 PRO 35 7.157 -2.890 9.058 282 HD2 PRO 35 HD2 PRO 35 5.170 -3.896 7.508 283 HD3 PRO 35 HD3 PRO 35 6.142 -2.489 7.042 284 H GLN 36 H GLN 36 10.091 -6.253 6.435 285 HA GLN 36 HA GLN 36 10.694 -8.327 7.131 286 HB2 GLN 36 HB2 GLN 36 7.764 -8.789 7.674 287 HB3 GLN 36 HB3 GLN 36 9.016 -9.998 7.923 288 HG2 GLN 36 HG2 GLN 36 10.128 -8.419 9.496 289 HG3 GLN 36 HG3 GLN 36 8.727 -7.359 9.337 290 HE21 GLN 36 HE21 GLN 36 9.763 -8.714 11.689 291 HE22 GLN 36 HE22 GLN 36 8.483 -9.714 12.280 292 H GLN 37 H GLN 37 9.681 -7.346 4.481 293 HA GLN 37 HA GLN 37 9.402 -9.951 3.160 294 HB2 GLN 37 HB2 GLN 37 8.239 -7.497 2.567 295 HB3 GLN 37 HB3 GLN 37 9.591 -7.586 1.461 296 HG2 GLN 37 HG2 GLN 37 7.392 -9.613 1.702 297 HG3 GLN 37 HG3 GLN 37 7.623 -8.455 0.390 298 HE21 GLN 37 HE21 GLN 37 9.283 -8.786 -1.090 299 HE22 GLN 37 HE22 GLN 37 10.078 -10.317 -1.257 300 H GLY 38 H GLY 38 10.858 -7.130 1.846 301 HA2 GLY 38 HA2 GLY 38 13.592 -7.915 2.379 302 HA3 GLY 38 HA3 GLY 38 13.105 -7.941 0.678 303 H ASN 39 H ASN 39 11.665 -5.843 2.960 304 HA ASN 39 HA ASN 39 11.130 -3.685 2.932 305 HB2 ASN 39 HB2 ASN 39 12.963 -2.008 2.846 306 HB3 ASN 39 HB3 ASN 39 13.165 -3.298 4.029 307 HD21 ASN 39 HD21 ASN 39 14.325 -1.968 1.017 308 HD22 ASN 39 HD22 ASN 39 15.835 -2.802 1.014 309 H SER 40 H SER 40 12.864 -4.569 0.033 310 HA SER 40 HA SER 40 12.092 -2.121 -1.287 311 HB2 SER 40 HB2 SER 40 13.449 -4.576 -2.412 312 HB3 SER 40 HB3 SER 40 13.357 -2.981 -3.170 313 HG SER 40 HG SER 40 15.037 -3.910 -1.204 314 H GLU 41 H GLU 41 10.899 -5.338 -0.915 315 HA GLU 41 HA GLU 41 8.959 -4.888 -3.059 316 HB2 GLU 41 HB2 GLU 41 10.333 -7.540 -2.550 317 HB3 GLU 41 HB3 GLU 41 9.150 -7.190 -3.802 318 HG2 GLU 41 HG2 GLU 41 10.896 -6.891 -5.140 319 HG3 GLU 41 HG3 GLU 41 11.116 -5.352 -4.310 320 HA PRO 42 HA PRO 42 6.903 -5.518 0.870 321 HB2 PRO 42 HB2 PRO 42 4.550 -4.804 -0.786 322 HB3 PRO 42 HB3 PRO 42 5.138 -4.074 0.711 323 HG2 PRO 42 HG2 PRO 42 5.429 -2.822 -1.620 324 HG3 PRO 42 HG3 PRO 42 6.705 -2.765 -0.388 325 HD2 PRO 42 HD2 PRO 42 6.539 -4.428 -2.868 326 HD3 PRO 42 HD3 PRO 42 7.929 -3.553 -2.187 327 H VAL 43 H VAL 43 5.049 -6.835 1.612 328 HA VAL 43 HA VAL 43 5.112 -9.401 0.319 329 HB VAL 43 HB VAL 43 3.696 -10.166 2.171 330 HG11 VAL 43 HG11 VAL 43 6.099 -10.192 2.470 331 HG12 VAL 43 HG12 VAL 43 6.069 -8.521 3.035 332 HG13 VAL 43 HG13 VAL 43 5.305 -9.788 3.993 333 HG21 VAL 43 HG21 VAL 43 3.186 -8.627 4.027 334 HG22 VAL 43 HG22 VAL 43 3.791 -7.286 3.055 335 HG23 VAL 43 HG23 VAL 43 2.364 -8.179 2.531 336 H VAL 44 H VAL 44 3.105 -10.655 -0.115 337 HA VAL 44 HA VAL 44 1.361 -9.474 -1.924 338 HB VAL 44 HB VAL 44 -0.183 -11.430 -1.374 339 HG11 VAL 44 HG11 VAL 44 1.302 -13.045 -2.440 340 HG12 VAL 44 HG12 VAL 44 1.438 -11.461 -3.202 341 HG13 VAL 44 HG13 VAL 44 2.687 -12.015 -2.087 342 HG21 VAL 44 HG21 VAL 44 2.151 -12.178 0.393 343 HG22 VAL 44 HG22 VAL 44 0.521 -11.785 0.937 344 HG23 VAL 44 HG23 VAL 44 0.802 -13.233 -0.029 345 H GLN 45 H GLN 45 1.257 -9.613 1.497 346 HA GLN 45 HA GLN 45 -1.445 -8.989 1.980 347 HB2 GLN 45 HB2 GLN 45 0.985 -8.437 3.686 348 HB3 GLN 45 HB3 GLN 45 -0.682 -8.413 4.241 349 HG2 GLN 45 HG2 GLN 45 0.327 -10.882 2.964 350 HG3 GLN 45 HG3 GLN 45 0.892 -10.501 4.590 351 HE21 GLN 45 HE21 GLN 45 -1.639 -9.181 5.286 352 HE22 GLN 45 HE22 GLN 45 -2.772 -10.464 5.556 353 H ASP 46 H ASP 46 1.336 -7.075 1.122 354 HA ASP 46 HA ASP 46 0.838 -4.747 2.600 355 HB2 ASP 46 HB2 ASP 46 3.016 -5.126 1.770 356 HB3 ASP 46 HB3 ASP 46 2.439 -5.315 0.125 357 H LEU 47 H LEU 47 -0.050 -5.580 -0.721 358 HA LEU 47 HA LEU 47 -0.840 -2.996 -1.453 359 HB2 LEU 47 HB2 LEU 47 -2.202 -4.290 -3.234 360 HB3 LEU 47 HB3 LEU 47 -0.464 -4.418 -3.236 361 HG LEU 47 HG LEU 47 -0.780 -6.597 -1.912 362 HD11 LEU 47 HD11 LEU 47 -3.116 -6.322 -1.320 363 HD12 LEU 47 HD12 LEU 47 -3.560 -6.316 -3.026 364 HD13 LEU 47 HD13 LEU 47 -2.877 -7.770 -2.299 365 HD21 LEU 47 HD21 LEU 47 -1.693 -6.413 -4.775 366 HD22 LEU 47 HD22 LEU 47 -0.026 -6.537 -4.211 367 HD23 LEU 47 HD23 LEU 47 -1.143 -7.879 -3.963 368 H ALA 48 H ALA 48 -2.703 -5.684 -0.122 369 HA ALA 48 HA ALA 48 -5.157 -4.261 0.085 370 HB1 ALA 48 HB1 ALA 48 -5.851 -6.091 1.534 371 HB2 ALA 48 HB2 ALA 48 -5.031 -6.712 0.102 372 HB3 ALA 48 HB3 ALA 48 -4.182 -6.652 1.646 373 H GLN 49 H GLN 49 -2.366 -4.719 2.094 374 HA GLN 49 HA GLN 49 -3.412 -3.996 4.575 375 HB2 GLN 49 HB2 GLN 49 -1.308 -5.136 4.418 376 HB3 GLN 49 HB3 GLN 49 -0.619 -3.868 3.442 377 HG2 GLN 49 HG2 GLN 49 0.322 -3.521 5.499 378 HG3 GLN 49 HG3 GLN 49 -0.992 -2.353 5.439 379 HE21 GLN 49 HE21 GLN 49 -2.819 -2.654 6.699 380 HE22 GLN 49 HE22 GLN 49 -2.838 -3.734 8.051 381 H LEU 50 H LEU 50 -1.631 -2.167 2.196 382 HA LEU 50 HA LEU 50 -1.401 0.222 3.626 383 HB2 LEU 50 HB2 LEU 50 -1.601 -0.252 0.658 384 HB3 LEU 50 HB3 LEU 50 -1.020 1.227 1.398 385 HG LEU 50 HG LEU 50 0.334 -1.465 1.713 386 HD11 LEU 50 HD11 LEU 50 1.042 0.881 -0.035 387 HD12 LEU 50 HD12 LEU 50 2.038 -0.552 0.221 388 HD13 LEU 50 HD13 LEU 50 0.476 -0.696 -0.585 389 HD21 LEU 50 HD21 LEU 50 0.695 0.011 3.587 390 HD22 LEU 50 HD22 LEU 50 2.162 -0.144 2.621 391 HD23 LEU 50 HD23 LEU 50 1.170 1.309 2.493 392 H VAL 51 H VAL 51 -3.768 -0.656 1.133 393 HA VAL 51 HA VAL 51 -5.391 1.669 1.340 394 HB VAL 51 HB VAL 51 -5.276 -0.722 -0.117 395 HG11 VAL 51 HG11 VAL 51 -7.087 -1.604 1.219 396 HG12 VAL 51 HG12 VAL 51 -8.029 -0.141 0.929 397 HG13 VAL 51 HG13 VAL 51 -7.651 -1.224 -0.409 398 HG21 VAL 51 HG21 VAL 51 -6.901 1.781 -0.417 399 HG22 VAL 51 HG22 VAL 51 -5.275 1.494 -1.036 400 HG23 VAL 51 HG23 VAL 51 -6.639 0.586 -1.687 401 H GLU 52 H GLU 52 -5.384 -1.420 3.045 402 HA GLU 52 HA GLU 52 -7.879 -1.106 4.371 403 HB2 GLU 52 HB2 GLU 52 -7.131 -3.315 4.216 404 HB3 GLU 52 HB3 GLU 52 -5.492 -2.901 4.690 405 HG2 GLU 52 HG2 GLU 52 -6.198 -2.585 6.982 406 HG3 GLU 52 HG3 GLU 52 -7.875 -2.883 6.531 407 H GLU 53 H GLU 53 -4.505 -0.587 5.350 408 HA GLU 53 HA GLU 53 -5.216 -0.057 8.071 409 HB2 GLU 53 HB2 GLU 53 -3.102 -1.131 7.523 410 HB3 GLU 53 HB3 GLU 53 -2.596 0.283 6.609 411 HG2 GLU 53 HG2 GLU 53 -2.227 1.546 8.494 412 HG3 GLU 53 HG3 GLU 53 -3.302 0.559 9.492 413 H ALA 54 H ALA 54 -4.879 1.830 5.215 414 HA ALA 54 HA ALA 54 -4.166 4.303 6.241 415 HB1 ALA 54 HB1 ALA 54 -6.138 3.746 4.030 416 HB2 ALA 54 HB2 ALA 54 -5.284 5.264 4.307 417 HB3 ALA 54 HB3 ALA 54 -4.383 3.817 3.854 418 H THR 55 H THR 55 -7.394 2.820 6.062 419 HA THR 55 HA THR 55 -8.315 4.937 7.883 420 HB THR 55 HB THR 55 -10.607 3.773 6.968 421 HG1 THR 55 HG1 THR 55 -9.934 2.630 5.275 422 HG21 THR 55 HG21 THR 55 -9.081 6.071 5.739 423 HG22 THR 55 HG22 THR 55 -10.145 6.173 7.143 424 HG23 THR 55 HG23 THR 55 -10.809 5.771 5.559 425 H GLY 56 H GLY 56 -7.489 1.680 7.829 426 HA2 GLY 56 HA2 GLY 56 -7.585 0.184 9.625 427 HA3 GLY 56 HA3 GLY 56 -8.721 1.260 10.428 428 H VAL 57 H VAL 57 -9.248 0.381 7.161 429 HA VAL 57 HA VAL 57 -11.827 -0.741 7.919 430 HB VAL 57 HB VAL 57 -10.765 0.027 5.196 431 HG11 VAL 57 HG11 VAL 57 -13.110 0.092 4.526 432 HG12 VAL 57 HG12 VAL 57 -12.643 -1.515 5.080 433 HG13 VAL 57 HG13 VAL 57 -13.586 -0.458 6.132 434 HG21 VAL 57 HG21 VAL 57 -12.395 1.600 7.171 435 HG22 VAL 57 HG22 VAL 57 -10.760 1.955 6.617 436 HG23 VAL 57 HG23 VAL 57 -12.117 2.076 5.496 437 HA PRO 58 HA PRO 58 -10.593 -4.957 7.005 438 HB2 PRO 58 HB2 PRO 58 -13.043 -5.948 6.394 439 HB3 PRO 58 HB3 PRO 58 -12.529 -5.606 8.057 440 HG2 PRO 58 HG2 PRO 58 -14.094 -3.843 6.182 441 HG3 PRO 58 HG3 PRO 58 -14.505 -4.308 7.854 442 HD2 PRO 58 HD2 PRO 58 -13.378 -1.968 7.388 443 HD3 PRO 58 HD3 PRO 58 -12.793 -2.954 8.749 444 H LEU 59 H LEU 59 -10.338 -6.304 5.335 445 HA LEU 59 HA LEU 59 -9.756 -5.329 2.871 446 HB2 LEU 59 HB2 LEU 59 -10.512 -8.155 3.568 447 HB3 LEU 59 HB3 LEU 59 -9.679 -7.668 2.105 448 HG LEU 59 HG LEU 59 -8.622 -7.405 4.922 449 HD11 LEU 59 HD11 LEU 59 -7.776 -9.185 2.639 450 HD12 LEU 59 HD12 LEU 59 -6.989 -9.073 4.213 451 HD13 LEU 59 HD13 LEU 59 -8.633 -9.700 4.092 452 HD21 LEU 59 HD21 LEU 59 -6.540 -6.672 3.850 453 HD22 LEU 59 HD22 LEU 59 -7.351 -6.681 2.284 454 HD23 LEU 59 HD23 LEU 59 -7.868 -5.555 3.537 455 HA PRO 60 HA PRO 60 -13.856 -7.093 0.980 456 HB2 PRO 60 HB2 PRO 60 -15.824 -6.714 3.136 457 HB3 PRO 60 HB3 PRO 60 -15.583 -8.096 2.060 458 HG2 PRO 60 HG2 PRO 60 -14.907 -8.240 4.622 459 HG3 PRO 60 HG3 PRO 60 -13.890 -8.989 3.379 460 HD2 PRO 60 HD2 PRO 60 -13.540 -6.350 4.773 461 HD3 PRO 60 HD3 PRO 60 -12.338 -7.624 4.492 462 H PHE 61 H PHE 61 -13.768 -4.418 3.201 463 HA PHE 61 HA PHE 61 -15.985 -3.009 1.982 464 HB2 PHE 61 HB2 PHE 61 -14.170 -2.563 4.287 465 HB3 PHE 61 HB3 PHE 61 -15.020 -1.181 3.602 466 HD1 PHE 61 HD1 PHE 61 -15.448 -4.508 5.144 467 HD2 PHE 61 HD2 PHE 61 -17.345 -0.871 4.023 468 HE1 PHE 61 HE1 PHE 61 -17.446 -5.168 6.413 469 HE2 PHE 61 HE2 PHE 61 -19.350 -1.524 5.293 470 HZ PHE 61 HZ PHE 61 -19.403 -3.673 6.490 471 H GLN 62 H GLN 62 -12.597 -3.151 1.493 472 HA GLN 62 HA GLN 62 -12.833 -0.746 -0.176 473 HB2 GLN 62 HB2 GLN 62 -10.409 -0.469 0.047 474 HB3 GLN 62 HB3 GLN 62 -11.224 -0.272 1.566 475 HG2 GLN 62 HG2 GLN 62 -10.505 -3.003 1.305 476 HG3 GLN 62 HG3 GLN 62 -9.105 -2.022 0.871 477 HE21 GLN 62 HE21 GLN 62 -9.501 -3.727 3.166 478 HE22 GLN 62 HE22 GLN 62 -9.321 -2.717 4.563 479 H LYS 63 H LYS 63 -12.477 -0.997 -2.289 480 HA LYS 63 HA LYS 63 -11.259 -3.508 -3.169 481 HB2 LYS 63 HB2 LYS 63 -12.579 -1.431 -4.926 482 HB3 LYS 63 HB3 LYS 63 -12.189 -3.093 -5.340 483 HG2 LYS 63 HG2 LYS 63 -14.324 -2.132 -3.455 484 HG3 LYS 63 HG3 LYS 63 -14.542 -2.939 -5.007 485 HD2 LYS 63 HD2 LYS 63 -13.513 -4.967 -4.091 486 HD3 LYS 63 HD3 LYS 63 -13.290 -4.153 -2.541 487 HE2 LYS 63 HE2 LYS 63 -15.778 -3.813 -2.477 488 HE3 LYS 63 HE3 LYS 63 -15.890 -4.859 -3.891 489 HZ1 LYS 63 HZ1 LYS 63 -14.946 -5.572 -1.176 490 HZ2 LYS 63 HZ2 LYS 63 -14.699 -6.573 -2.519 491 HZ3 LYS 63 HZ3 LYS 63 -16.277 -6.205 -2.011 492 H LEU 64 H LEU 64 -9.111 -3.101 -2.829 493 HA LEU 64 HA LEU 64 -7.934 -0.590 -3.559 494 HB2 LEU 64 HB2 LEU 64 -7.046 -1.604 -1.611 495 HB3 LEU 64 HB3 LEU 64 -6.900 -3.158 -2.405 496 HG LEU 64 HG LEU 64 -4.784 -1.762 -1.843 497 HD11 LEU 64 HD11 LEU 64 -3.579 -2.675 -3.755 498 HD12 LEU 64 HD12 LEU 64 -4.704 -3.849 -3.071 499 HD13 LEU 64 HD13 LEU 64 -5.113 -3.003 -4.563 500 HD21 LEU 64 HD21 LEU 64 -5.589 -0.481 -4.438 501 HD22 LEU 64 HD22 LEU 64 -5.485 0.313 -2.866 502 HD23 LEU 64 HD23 LEU 64 -4.027 -0.307 -3.638 503 H ILE 65 H ILE 65 -7.426 -0.070 -5.453 504 HA ILE 65 HA ILE 65 -6.256 -2.039 -7.324 505 HB ILE 65 HB ILE 65 -7.765 0.507 -7.900 506 HG12 ILE 65 HG12 ILE 65 -8.657 -2.355 -8.364 507 HG13 ILE 65 HG13 ILE 65 -9.224 -1.323 -7.056 508 HG21 ILE 65 HG21 ILE 65 -6.686 -1.600 -9.782 509 HG22 ILE 65 HG22 ILE 65 -7.687 -0.229 -10.260 510 HG23 ILE 65 HG23 ILE 65 -6.081 0.045 -9.587 511 HD11 ILE 65 HD11 ILE 65 -9.628 -0.833 -9.998 512 HD12 ILE 65 HD12 ILE 65 -10.839 -1.419 -8.858 513 HD13 ILE 65 HD13 ILE 65 -10.189 0.213 -8.695 514 H PHE 66 H PHE 66 -4.110 -1.636 -7.068 515 HA PHE 66 HA PHE 66 -3.163 0.624 -8.386 516 HB2 PHE 66 HB2 PHE 66 -3.383 1.125 -5.664 517 HB3 PHE 66 HB3 PHE 66 -1.662 0.888 -5.995 518 HD1 PHE 66 HD1 PHE 66 -0.993 1.950 -8.419 519 HD2 PHE 66 HD2 PHE 66 -4.085 3.330 -5.842 520 HE1 PHE 66 HE1 PHE 66 -0.884 4.166 -9.483 521 HE2 PHE 66 HE2 PHE 66 -3.977 5.546 -6.895 522 HZ PHE 66 HZ PHE 66 -2.381 5.969 -8.720 523 H LYS 67 H LYS 67 -0.984 0.509 -8.969 524 HA LYS 67 HA LYS 67 0.941 -0.503 -9.578 525 HB2 LYS 67 HB2 LYS 67 1.421 -2.649 -7.796 526 HB3 LYS 67 HB3 LYS 67 2.147 -1.055 -7.759 527 HG2 LYS 67 HG2 LYS 67 0.443 -0.311 -6.168 528 HG3 LYS 67 HG3 LYS 67 -0.340 -1.910 -6.230 529 HD2 LYS 67 HD2 LYS 67 1.917 -2.849 -5.480 530 HD3 LYS 67 HD3 LYS 67 2.429 -1.190 -5.188 531 HE2 LYS 67 HE2 LYS 67 0.203 -1.133 -3.754 532 HE3 LYS 67 HE3 LYS 67 0.465 -2.876 -3.703 533 HZ1 LYS 67 HZ1 LYS 67 2.776 -2.352 -2.910 534 HZ2 LYS 67 HZ2 LYS 67 1.542 -1.991 -1.815 535 HZ3 LYS 67 HZ3 LYS 67 2.276 -0.749 -2.703 536 H GLY 68 H GLY 68 -1.621 -1.370 -10.495 537 HA2 GLY 68 HA2 GLY 68 -2.584 -3.007 -11.749 538 HA3 GLY 68 HA3 GLY 68 -0.973 -3.689 -11.951 539 H LYS 69 H LYS 69 -1.931 -3.272 -8.784 540 HA LYS 69 HA LYS 69 -2.507 -6.138 -8.538 541 HB2 LYS 69 HB2 LYS 69 -1.290 -4.367 -6.421 542 HB3 LYS 69 HB3 LYS 69 -1.381 -6.125 -6.435 543 HG2 LYS 69 HG2 LYS 69 0.140 -6.186 -8.344 544 HG3 LYS 69 HG3 LYS 69 0.243 -4.425 -8.311 545 HD2 LYS 69 HD2 LYS 69 2.116 -4.970 -7.122 546 HD3 LYS 69 HD3 LYS 69 0.938 -4.851 -5.813 547 HE2 LYS 69 HE2 LYS 69 2.289 -6.859 -5.578 548 HE3 LYS 69 HE3 LYS 69 0.605 -7.270 -5.898 549 HZ1 LYS 69 HZ1 LYS 69 2.625 -7.128 -8.049 550 HZ2 LYS 69 HZ2 LYS 69 1.100 -7.861 -8.088 551 HZ3 LYS 69 HZ3 LYS 69 2.346 -8.540 -7.166 552 H SER 70 H SER 70 -4.046 -6.740 -7.045 553 HA SER 70 HA SER 70 -5.825 -4.562 -6.200 554 HB2 SER 70 HB2 SER 70 -7.702 -6.220 -6.551 555 HB3 SER 70 HB3 SER 70 -6.864 -5.743 -8.032 556 HG SER 70 HG SER 70 -5.635 -7.871 -6.958 557 H LEU 71 H LEU 71 -6.992 -4.962 -4.181 558 HA LEU 71 HA LEU 71 -5.137 -6.101 -2.342 559 HB2 LEU 71 HB2 LEU 71 -6.416 -5.246 -0.579 560 HB3 LEU 71 HB3 LEU 71 -6.611 -4.101 -1.890 561 HG LEU 71 HG LEU 71 -8.716 -4.196 -0.946 562 HD11 LEU 71 HD11 LEU 71 -10.218 -5.340 -2.492 563 HD12 LEU 71 HD12 LEU 71 -8.931 -4.467 -3.329 564 HD13 LEU 71 HD13 LEU 71 -8.844 -6.222 -3.162 565 HD21 LEU 71 HD21 LEU 71 -8.339 -6.033 0.581 566 HD22 LEU 71 HD22 LEU 71 -9.885 -6.215 -0.248 567 HD23 LEU 71 HD23 LEU 71 -8.499 -7.188 -0.741 568 H LYS 72 H LYS 72 -4.946 -7.945 -1.462 569 HA LYS 72 HA LYS 72 -7.170 -9.520 -0.603 570 HB2 LYS 72 HB2 LYS 72 -5.392 -10.502 -2.828 571 HB3 LYS 72 HB3 LYS 72 -6.014 -11.644 -1.650 572 HG2 LYS 72 HG2 LYS 72 -7.683 -9.862 -3.419 573 HG3 LYS 72 HG3 LYS 72 -7.380 -11.581 -3.676 574 HD2 LYS 72 HD2 LYS 72 -8.741 -10.411 -1.248 575 HD3 LYS 72 HD3 LYS 72 -9.581 -11.130 -2.625 576 HE2 LYS 72 HE2 LYS 72 -8.554 -13.266 -2.189 577 HE3 LYS 72 HE3 LYS 72 -7.559 -12.567 -0.913 578 HZ1 LYS 72 HZ1 LYS 72 -10.513 -12.893 -0.891 579 HZ2 LYS 72 HZ2 LYS 72 -9.637 -12.049 0.293 580 HZ3 LYS 72 HZ3 LYS 72 -9.385 -13.707 0.078 581 H GLU 73 H GLU 73 -6.089 -11.626 0.515 582 HA GLU 73 HA GLU 73 -4.106 -10.561 2.282 583 HB2 GLU 73 HB2 GLU 73 -4.190 -12.679 3.445 584 HB3 GLU 73 HB3 GLU 73 -5.824 -12.167 3.063 585 HG2 GLU 73 HG2 GLU 73 -4.240 -14.260 1.584 586 HG3 GLU 73 HG3 GLU 73 -5.515 -14.566 2.759 587 H MET 74 H MET 74 -4.116 -13.020 -0.261 588 HA MET 74 HA MET 74 -1.237 -12.522 -0.616 589 HB2 MET 74 HB2 MET 74 -2.555 -15.234 -0.885 590 HB3 MET 74 HB3 MET 74 -0.858 -14.869 -1.152 591 HG2 MET 74 HG2 MET 74 -0.598 -14.321 1.210 592 HG3 MET 74 HG3 MET 74 -2.303 -14.675 1.481 593 HE1 MET 74 HE1 MET 74 -2.399 -18.527 0.596 594 HE2 MET 74 HE2 MET 74 -3.364 -17.131 1.072 595 HE3 MET 74 HE3 MET 74 -2.625 -17.187 -0.528 596 H GLU 75 H GLU 75 -1.816 -11.086 -2.324 597 HA GLU 75 HA GLU 75 -3.445 -12.217 -4.431 598 HB2 GLU 75 HB2 GLU 75 -3.708 -9.890 -3.269 599 HB3 GLU 75 HB3 GLU 75 -2.538 -9.379 -4.459 600 HG2 GLU 75 HG2 GLU 75 -5.021 -10.841 -5.257 601 HG3 GLU 75 HG3 GLU 75 -5.031 -9.104 -4.976 602 H THR 76 H THR 76 -1.135 -9.727 -5.331 603 HA THR 76 HA THR 76 -0.036 -11.756 -7.158 604 HB THR 76 HB THR 76 0.695 -9.580 -8.445 605 HG1 THR 76 HG1 THR 76 -1.747 -8.652 -7.337 606 HG21 THR 76 HG21 THR 76 -0.772 -11.364 -9.276 607 HG22 THR 76 HG22 THR 76 -1.340 -9.766 -9.760 608 HG23 THR 76 HG23 THR 76 -2.136 -10.622 -8.440 609 HA PRO 77 HA PRO 77 4.230 -12.074 -6.266 610 HB2 PRO 77 HB2 PRO 77 4.515 -10.170 -8.565 611 HB3 PRO 77 HB3 PRO 77 5.490 -11.590 -8.160 612 HG2 PRO 77 HG2 PRO 77 3.462 -11.670 -9.961 613 HG3 PRO 77 HG3 PRO 77 3.927 -13.061 -8.969 614 HD2 PRO 77 HD2 PRO 77 1.477 -11.513 -8.882 615 HD3 PRO 77 HD3 PRO 77 1.886 -12.993 -7.991 616 H LEU 78 H LEU 78 5.472 -11.225 -4.864 617 HA LEU 78 HA LEU 78 4.926 -8.757 -3.625 618 HB2 LEU 78 HB2 LEU 78 7.156 -10.736 -3.226 619 HB3 LEU 78 HB3 LEU 78 6.856 -9.371 -2.172 620 HG LEU 78 HG LEU 78 4.514 -10.372 -1.903 621 HD11 LEU 78 HD11 LEU 78 4.392 -12.810 -2.142 622 HD12 LEU 78 HD12 LEU 78 4.631 -12.010 -3.695 623 HD13 LEU 78 HD13 LEU 78 5.985 -12.808 -2.898 624 HD21 LEU 78 HD21 LEU 78 5.278 -11.834 -0.089 625 HD22 LEU 78 HD22 LEU 78 6.914 -11.776 -0.744 626 HD23 LEU 78 HD23 LEU 78 6.163 -10.309 -0.119 627 H SER 79 H SER 79 7.490 -9.749 -5.838 628 HA SER 79 HA SER 79 9.147 -7.519 -5.567 629 HB2 SER 79 HB2 SER 79 8.560 -8.951 -8.166 630 HB3 SER 79 HB3 SER 79 10.041 -8.101 -7.723 631 HG SER 79 HG SER 79 10.646 -9.735 -6.466 632 H ALA 80 H ALA 80 6.241 -8.020 -7.450 633 HA ALA 80 HA ALA 80 6.272 -5.411 -8.657 634 HB1 ALA 80 HB1 ALA 80 4.141 -6.042 -9.620 635 HB2 ALA 80 HB2 ALA 80 5.307 -7.351 -9.809 636 HB3 ALA 80 HB3 ALA 80 4.059 -7.454 -8.567 637 H LEU 81 H LEU 81 5.803 -6.232 -5.565 638 HA LEU 81 HA LEU 81 3.170 -5.299 -5.025 639 HB2 LEU 81 HB2 LEU 81 4.872 -6.913 -3.766 640 HB3 LEU 81 HB3 LEU 81 5.080 -5.484 -2.782 641 HG LEU 81 HG LEU 81 3.439 -6.667 -1.648 642 HD11 LEU 81 HD11 LEU 81 2.608 -4.432 -2.049 643 HD12 LEU 81 HD12 LEU 81 1.854 -4.960 -3.554 644 HD13 LEU 81 HD13 LEU 81 1.281 -5.594 -2.010 645 HD21 LEU 81 HD21 LEU 81 2.230 -7.408 -4.302 646 HD22 LEU 81 HD22 LEU 81 3.200 -8.448 -3.260 647 HD23 LEU 81 HD23 LEU 81 1.617 -7.890 -2.719 648 H GLY 82 H GLY 82 5.229 -3.285 -6.193 649 HA2 GLY 82 HA2 GLY 82 4.937 -0.898 -5.822 650 HA3 GLY 82 HA3 GLY 82 4.627 -1.264 -4.150 651 H MET 83 H MET 83 7.415 -2.519 -6.013 652 HA MET 83 HA MET 83 9.173 -1.589 -3.984 653 HB2 MET 83 HB2 MET 83 10.991 -2.258 -5.541 654 HB3 MET 83 HB3 MET 83 9.792 -3.517 -5.299 655 HG2 MET 83 HG2 MET 83 8.771 -2.945 -7.445 656 HG3 MET 83 HG3 MET 83 9.998 -1.700 -7.687 657 HE1 MET 83 HE1 MET 83 12.656 -2.300 -7.723 658 HE2 MET 83 HE2 MET 83 12.492 -3.314 -6.288 659 HE3 MET 83 HE3 MET 83 13.267 -3.954 -7.739 660 H GLN 84 H GLN 84 8.488 0.484 -3.836 661 HA GLN 84 HA GLN 84 10.428 2.313 -4.746 662 HB2 GLN 84 HB2 GLN 84 8.576 4.040 -5.353 663 HB3 GLN 84 HB3 GLN 84 9.103 2.923 -6.595 664 HG2 GLN 84 HG2 GLN 84 7.136 1.501 -6.054 665 HG3 GLN 84 HG3 GLN 84 6.600 2.758 -4.939 666 HE21 GLN 84 HE21 GLN 84 7.586 4.886 -6.673 667 HE22 GLN 84 HE22 GLN 84 6.455 5.010 -7.975 668 H ASN 85 H ASN 85 9.662 4.509 -3.298 669 HA ASN 85 HA ASN 85 9.131 3.488 -0.719 670 HB2 ASN 85 HB2 ASN 85 8.445 5.791 -0.059 671 HB3 ASN 85 HB3 ASN 85 9.982 5.790 -0.922 672 HD21 ASN 85 HD21 ASN 85 7.935 7.883 -0.533 673 HD22 ASN 85 HD22 ASN 85 7.531 8.427 -2.124 674 H GLY 86 H GLY 86 7.446 2.236 -0.437 675 HA2 GLY 86 HA2 GLY 86 5.370 1.488 -0.166 676 HA3 GLY 86 HA3 GLY 86 4.882 3.171 -0.027 677 H CYS 87 H CYS 87 5.707 3.550 -2.972 678 HA CYS 87 HA CYS 87 4.695 3.553 -5.012 679 HB2 CYS 87 HB2 CYS 87 4.772 1.043 -4.647 680 HB3 CYS 87 HB3 CYS 87 3.105 1.176 -4.099 681 HG CYS 87 HG CYS 87 4.259 1.889 -7.246 682 H ARG 88 H ARG 88 1.908 2.597 -5.400 683 HA ARG 88 HA ARG 88 0.438 4.505 -3.718 684 HB2 ARG 88 HB2 ARG 88 -0.301 4.049 -6.597 685 HB3 ARG 88 HB3 ARG 88 -0.796 5.353 -5.535 686 HG2 ARG 88 HG2 ARG 88 0.656 6.432 -6.940 687 HG3 ARG 88 HG3 ARG 88 1.734 5.994 -5.615 688 HD2 ARG 88 HD2 ARG 88 2.664 4.195 -6.830 689 HD3 ARG 88 HD3 ARG 88 1.377 4.243 -8.035 690 HE ARG 88 HE ARG 88 2.973 6.645 -7.894 691 HH11 ARG 88 HH11 ARG 88 2.569 3.490 -9.375 692 HH12 ARG 88 HH12 ARG 88 3.552 3.863 -10.757 693 HH21 ARG 88 HH21 ARG 88 4.290 7.132 -9.701 694 HH22 ARG 88 HH22 ARG 88 4.548 5.935 -10.936 695 H VAL 89 H VAL 89 -1.725 3.871 -3.293 696 HA VAL 89 HA VAL 89 -2.813 1.427 -4.411 697 HB VAL 89 HB VAL 89 -3.421 0.565 -2.096 698 HG11 VAL 89 HG11 VAL 89 -1.322 -0.653 -1.784 699 HG12 VAL 89 HG12 VAL 89 -1.811 -0.597 -3.479 700 HG13 VAL 89 HG13 VAL 89 -0.523 0.458 -2.897 701 HG21 VAL 89 HG21 VAL 89 -2.821 2.555 -0.828 702 HG22 VAL 89 HG22 VAL 89 -1.946 1.137 -0.250 703 HG23 VAL 89 HG23 VAL 89 -1.127 2.325 -1.262 704 H MET 90 H MET 90 -4.784 2.119 -5.031 705 HA MET 90 HA MET 90 -6.167 3.667 -2.950 706 HB2 MET 90 HB2 MET 90 -6.930 5.260 -4.256 707 HB3 MET 90 HB3 MET 90 -5.457 4.899 -5.140 708 HG2 MET 90 HG2 MET 90 -6.815 3.446 -6.648 709 HG3 MET 90 HG3 MET 90 -8.248 4.020 -5.786 710 HE1 MET 90 HE1 MET 90 -8.398 5.845 -9.282 711 HE2 MET 90 HE2 MET 90 -7.718 4.244 -8.991 712 HE3 MET 90 HE3 MET 90 -9.217 4.723 -8.193 713 H LEU 91 H LEU 91 -8.063 3.152 -2.370 714 HA LEU 91 HA LEU 91 -9.233 0.819 -3.664 715 HB2 LEU 91 HB2 LEU 91 -10.304 0.271 -1.584 716 HB3 LEU 91 HB3 LEU 91 -8.580 0.390 -1.368 717 HG LEU 91 HG LEU 91 -9.413 1.302 0.577 718 HD11 LEU 91 HD11 LEU 91 -9.036 3.695 0.572 719 HD12 LEU 91 HD12 LEU 91 -7.805 2.832 -0.350 720 HD13 LEU 91 HD13 LEU 91 -9.087 3.704 -1.192 721 HD21 LEU 91 HD21 LEU 91 -11.761 1.330 0.003 722 HD22 LEU 91 HD22 LEU 91 -11.299 2.869 0.728 723 HD23 LEU 91 HD23 LEU 91 -11.526 2.749 -1.016 724 H ILE 92 H ILE 92 -11.138 0.964 -4.596 725 HA ILE 92 HA ILE 92 -12.685 3.365 -3.961 726 HB ILE 92 HB ILE 92 -12.854 1.702 -6.494 727 HG12 ILE 92 HG12 ILE 92 -11.715 4.474 -6.058 728 HG13 ILE 92 HG13 ILE 92 -10.768 3.017 -6.336 729 HG21 ILE 92 HG21 ILE 92 -14.994 2.703 -5.909 730 HG22 ILE 92 HG22 ILE 92 -14.229 4.281 -5.730 731 HG23 ILE 92 HG23 ILE 92 -14.307 3.515 -7.316 732 HD11 ILE 92 HD11 ILE 92 -11.758 2.800 -8.556 733 HD12 ILE 92 HD12 ILE 92 -12.704 4.261 -8.272 734 HD13 ILE 92 HD13 ILE 92 -10.945 4.352 -8.351 735 H GLY 93 H GLY 93 -14.188 3.016 -2.670 736 HA2 GLY 93 HA2 GLY 93 -16.372 1.383 -2.952 737 HA3 GLY 93 HA3 GLY 93 -15.203 0.438 -2.027 738 H GLU 94 H GLU 94 -14.718 1.014 0.076 739 HA GLU 94 HA GLU 94 -15.802 3.512 1.076 740 HB2 GLU 94 HB2 GLU 94 -17.624 1.835 1.219 741 HB3 GLU 94 HB3 GLU 94 -16.601 0.866 2.276 742 HG2 GLU 94 HG2 GLU 94 -16.655 2.521 3.972 743 HG3 GLU 94 HG3 GLU 94 -17.387 3.704 2.888 744 H LYS 95 H LYS 95 -14.135 4.402 2.122 745 HA LYS 95 HA LYS 95 -12.375 2.785 3.773 746 HB2 LYS 95 HB2 LYS 95 -12.497 5.686 3.014 747 HB3 LYS 95 HB3 LYS 95 -11.626 5.228 4.463 748 HG2 LYS 95 HG2 LYS 95 -10.241 3.684 3.043 749 HG3 LYS 95 HG3 LYS 95 -11.029 4.386 1.626 750 HD2 LYS 95 HD2 LYS 95 -10.195 6.589 2.222 751 HD3 LYS 95 HD3 LYS 95 -9.490 5.952 3.702 752 HE2 LYS 95 HE2 LYS 95 -7.918 4.592 2.387 753 HE3 LYS 95 HE3 LYS 95 -8.659 5.189 0.886 754 HZ1 LYS 95 HZ1 LYS 95 -7.974 7.426 1.475 755 HZ2 LYS 95 HZ2 LYS 95 -6.634 6.391 1.438 756 HZ3 LYS 95 HZ3 LYS 95 -7.291 6.869 2.921 757 H SER 96 H SER 96 -14.308 1.985 4.906 758 HA SER 96 HA SER 96 -16.225 3.515 6.173 759 HB2 SER 96 HB2 SER 96 -15.220 0.856 7.177 760 HB3 SER 96 HB3 SER 96 -16.848 1.520 7.321 761 HG SER 96 HG SER 96 -17.221 1.139 5.212 762 H ASN 97 H ASN 97 -16.189 4.848 7.805 763 HA ASN 97 HA ASN 97 -14.560 4.187 10.157 764 HB2 ASN 97 HB2 ASN 97 -14.821 6.836 8.767 765 HB3 ASN 97 HB3 ASN 97 -14.598 6.794 10.512 766 HD21 ASN 97 HD21 ASN 97 -13.162 6.121 7.420 767 HD22 ASN 97 HD22 ASN 97 -11.542 5.941 7.994 Start of MODEL 2 1 H1 MET 1 H1 MET 1 9.674 10.588 -11.920 2 H2 MET 1 H2 MET 1 9.411 12.073 -12.688 3 H3 MET 1 H3 MET 1 9.664 10.679 -13.615 4 HA MET 1 HA MET 1 7.327 11.295 -13.586 5 HB2 MET 1 HB2 MET 1 7.965 8.787 -12.013 6 HB3 MET 1 HB3 MET 1 6.412 9.131 -12.758 7 HG2 MET 1 HG2 MET 1 7.567 9.215 -14.960 8 HG3 MET 1 HG3 MET 1 9.038 8.683 -14.147 9 HE1 MET 1 HE1 MET 1 7.941 5.492 -16.119 10 HE2 MET 1 HE2 MET 1 7.703 7.157 -16.649 11 HE3 MET 1 HE3 MET 1 9.208 6.690 -15.856 12 H ALA 2 H ALA 2 5.408 10.416 -11.827 13 HA ALA 2 HA ALA 2 5.389 12.445 -9.836 14 HB1 ALA 2 HB1 ALA 2 3.323 11.627 -10.835 15 HB2 ALA 2 HB2 ALA 2 3.604 10.032 -10.138 16 HB3 ALA 2 HB3 ALA 2 3.297 11.413 -9.085 17 H LYS 3 H LYS 3 5.449 8.892 -9.559 18 HA LYS 3 HA LYS 3 7.135 9.195 -7.181 19 HB2 LYS 3 HB2 LYS 3 4.919 8.821 -6.313 20 HB3 LYS 3 HB3 LYS 3 4.682 7.453 -7.394 21 HG2 LYS 3 HG2 LYS 3 6.529 6.277 -6.238 22 HG3 LYS 3 HG3 LYS 3 6.625 7.624 -5.100 23 HD2 LYS 3 HD2 LYS 3 3.911 6.828 -5.283 24 HD3 LYS 3 HD3 LYS 3 4.886 5.373 -5.048 25 HE2 LYS 3 HE2 LYS 3 4.120 6.430 -2.940 26 HE3 LYS 3 HE3 LYS 3 5.870 6.275 -3.074 27 HZ1 LYS 3 HZ1 LYS 3 4.356 8.766 -3.678 28 HZ2 LYS 3 HZ2 LYS 3 6.047 8.592 -3.635 29 HZ3 LYS 3 HZ3 LYS 3 5.139 8.451 -2.204 30 H THR 4 H THR 4 8.897 8.086 -7.391 31 HA THR 4 HA THR 4 9.062 5.412 -8.329 32 HB THR 4 HB THR 4 10.330 7.442 -10.203 33 HG1 THR 4 HG1 THR 4 7.800 6.533 -10.183 34 HG21 THR 4 HG21 THR 4 10.800 5.490 -11.595 35 HG22 THR 4 HG22 THR 4 10.046 4.443 -10.393 36 HG23 THR 4 HG23 THR 4 11.526 5.317 -9.997 37 H GLU 5 H GLU 5 11.146 8.275 -8.628 38 HA GLU 5 HA GLU 5 13.322 6.912 -7.305 39 HB2 GLU 5 HB2 GLU 5 13.655 8.422 -9.274 40 HB3 GLU 5 HB3 GLU 5 13.161 9.777 -8.270 41 HG2 GLU 5 HG2 GLU 5 15.601 9.587 -8.513 42 HG3 GLU 5 HG3 GLU 5 15.064 9.480 -6.836 43 H GLU 6 H GLU 6 12.463 6.597 -5.252 44 HA GLU 6 HA GLU 6 12.518 8.934 -3.501 45 HB2 GLU 6 HB2 GLU 6 10.135 7.318 -4.159 46 HB3 GLU 6 HB3 GLU 6 10.389 7.641 -2.454 47 HG2 GLU 6 HG2 GLU 6 9.690 9.715 -2.630 48 HG3 GLU 6 HG3 GLU 6 10.668 10.028 -4.072 49 H MET 7 H MET 7 11.012 5.935 -2.667 50 HA MET 7 HA MET 7 11.364 4.497 -0.984 51 HB2 MET 7 HB2 MET 7 13.930 4.469 -2.499 52 HB3 MET 7 HB3 MET 7 13.827 3.562 -0.993 53 HG2 MET 7 HG2 MET 7 12.051 2.235 -1.817 54 HG3 MET 7 HG3 MET 7 11.881 3.240 -3.258 55 HE1 MET 7 HE1 MET 7 13.631 3.284 -5.250 56 HE2 MET 7 HE2 MET 7 14.897 3.740 -4.111 57 HE3 MET 7 HE3 MET 7 15.158 2.402 -5.232 58 H VAL 8 H VAL 8 11.197 6.819 0.138 59 HA VAL 8 HA VAL 8 12.506 6.477 2.585 60 HB VAL 8 HB VAL 8 14.517 7.238 1.442 61 HG11 VAL 8 HG11 VAL 8 13.008 9.745 0.724 62 HG12 VAL 8 HG12 VAL 8 14.729 9.466 0.458 63 HG13 VAL 8 HG13 VAL 8 13.534 8.485 -0.392 64 HG21 VAL 8 HG21 VAL 8 14.282 7.912 3.757 65 HG22 VAL 8 HG22 VAL 8 15.146 9.148 2.840 66 HG23 VAL 8 HG23 VAL 8 13.450 9.388 3.263 67 H GLN 9 H GLN 9 10.015 6.685 2.596 68 HA GLN 9 HA GLN 9 9.506 9.493 3.381 69 HB2 GLN 9 HB2 GLN 9 7.668 7.505 2.091 70 HB3 GLN 9 HB3 GLN 9 7.042 8.866 3.011 71 HG2 GLN 9 HG2 GLN 9 8.915 9.119 0.674 72 HG3 GLN 9 HG3 GLN 9 7.161 9.236 0.558 73 HE21 GLN 9 HE21 GLN 9 7.227 11.334 -0.203 74 HE22 GLN 9 HE22 GLN 9 7.637 12.674 0.809 75 H THR 10 H THR 10 7.937 6.321 4.068 76 HA THR 10 HA THR 10 8.115 7.042 6.922 77 HB THR 10 HB THR 10 6.106 5.139 5.704 78 HG1 THR 10 HG1 THR 10 4.638 6.963 6.003 79 HG21 THR 10 HG21 THR 10 4.914 5.504 7.829 80 HG22 THR 10 HG22 THR 10 6.231 6.537 8.386 81 HG23 THR 10 HG23 THR 10 6.518 4.822 8.093 82 H GLU 11 H GLU 11 9.667 5.920 7.912 83 HA GLU 11 HA GLU 11 10.278 3.244 6.894 84 HB2 GLU 11 HB2 GLU 11 12.118 4.758 6.803 85 HB3 GLU 11 HB3 GLU 11 11.937 5.172 8.490 86 HG2 GLU 11 HG2 GLU 11 12.585 2.924 9.131 87 HG3 GLU 11 HG3 GLU 11 12.713 2.472 7.429 88 H GLU 12 H GLU 12 10.375 1.522 8.062 89 HA GLU 12 HA GLU 12 9.619 1.538 10.906 90 HB2 GLU 12 HB2 GLU 12 8.178 0.461 8.793 91 HB3 GLU 12 HB3 GLU 12 9.102 -0.917 9.367 92 HG2 GLU 12 HG2 GLU 12 7.293 0.788 11.060 93 HG3 GLU 12 HG3 GLU 12 6.874 -0.777 10.366 94 H MET 13 H MET 13 10.180 -1.396 11.014 95 HA MET 13 HA MET 13 12.999 -1.154 11.437 96 HB2 MET 13 HB2 MET 13 11.156 -3.530 11.646 97 HB3 MET 13 HB3 MET 13 12.857 -3.564 12.091 98 HG2 MET 13 HG2 MET 13 12.464 -1.850 13.774 99 HG3 MET 13 HG3 MET 13 10.763 -1.784 13.316 100 HE1 MET 13 HE1 MET 13 10.695 -3.459 16.854 101 HE2 MET 13 HE2 MET 13 11.814 -2.213 16.296 102 HE3 MET 13 HE3 MET 13 10.106 -2.126 15.859 103 H GLU 14 H GLU 14 11.055 -2.849 8.958 104 HA GLU 14 HA GLU 14 13.595 -3.664 7.698 105 HB2 GLU 14 HB2 GLU 14 11.998 -5.489 8.111 106 HB3 GLU 14 HB3 GLU 14 10.783 -4.633 7.188 107 HG2 GLU 14 HG2 GLU 14 11.609 -6.306 5.771 108 HG3 GLU 14 HG3 GLU 14 12.321 -4.799 5.206 109 H THR 15 H THR 15 10.978 -1.477 7.314 110 HA THR 15 HA THR 15 10.889 -1.389 4.463 111 HB THR 15 HB THR 15 9.540 0.569 4.678 112 HG1 THR 15 HG1 THR 15 11.201 1.121 6.619 113 HG21 THR 15 HG21 THR 15 8.452 -1.488 5.472 114 HG22 THR 15 HG22 THR 15 7.875 -0.072 6.354 115 HG23 THR 15 HG23 THR 15 9.040 -1.163 7.105 116 HA PRO 16 HA PRO 16 14.374 1.306 3.956 117 HB2 PRO 16 HB2 PRO 16 14.129 1.719 1.294 118 HB3 PRO 16 HB3 PRO 16 14.662 0.175 1.963 119 HG2 PRO 16 HG2 PRO 16 12.131 0.853 0.665 120 HG3 PRO 16 HG3 PRO 16 12.855 -0.735 0.961 121 HD2 PRO 16 HD2 PRO 16 10.773 0.629 2.464 122 HD3 PRO 16 HD3 PRO 16 11.404 -1.033 2.668 123 H ARG 17 H ARG 17 12.160 2.378 5.106 124 HA ARG 17 HA ARG 17 10.834 4.170 5.418 125 HB2 ARG 17 HB2 ARG 17 13.259 5.149 5.049 126 HB3 ARG 17 HB3 ARG 17 12.541 5.801 3.584 127 HG2 ARG 17 HG2 ARG 17 11.024 7.116 4.767 128 HG3 ARG 17 HG3 ARG 17 11.279 6.210 6.264 129 HD2 ARG 17 HD2 ARG 17 13.283 7.968 4.876 130 HD3 ARG 17 HD3 ARG 17 12.403 8.363 6.356 131 HE ARG 17 HE ARG 17 13.912 5.917 6.540 132 HH11 ARG 17 HH11 ARG 17 14.102 9.406 6.837 133 HH12 ARG 17 HH12 ARG 17 15.463 9.357 7.923 134 HH21 ARG 17 HH21 ARG 17 15.656 5.844 7.973 135 HH22 ARG 17 HH22 ARG 17 16.352 7.320 8.582 136 H LEU 18 H LEU 18 9.383 2.811 4.056 137 HA LEU 18 HA LEU 18 8.885 4.095 1.460 138 HB2 LEU 18 HB2 LEU 18 8.869 1.321 2.358 139 HB3 LEU 18 HB3 LEU 18 7.474 1.809 1.429 140 HG LEU 18 HG LEU 18 8.734 2.312 -0.476 141 HD11 LEU 18 HD11 LEU 18 11.209 2.041 1.216 142 HD12 LEU 18 HD12 LEU 18 11.170 2.335 -0.524 143 HD13 LEU 18 HD13 LEU 18 10.527 3.542 0.588 144 HD21 LEU 18 HD21 LEU 18 8.410 -0.070 -0.108 145 HD22 LEU 18 HD22 LEU 18 9.933 0.243 -0.941 146 HD23 LEU 18 HD23 LEU 18 9.933 -0.151 0.778 147 H SER 19 H SER 19 7.177 5.345 1.351 148 HA SER 19 HA SER 19 4.815 4.638 2.952 149 HB2 SER 19 HB2 SER 19 5.769 6.660 3.815 150 HB3 SER 19 HB3 SER 19 5.884 7.349 2.184 151 HG SER 19 HG SER 19 3.949 8.111 2.568 152 H VAL 20 H VAL 20 3.024 4.354 1.903 153 HA VAL 20 HA VAL 20 3.014 4.642 -1.012 154 HB VAL 20 HB VAL 20 2.638 2.373 -0.016 155 HG11 VAL 20 HG11 VAL 20 1.475 3.044 1.985 156 HG12 VAL 20 HG12 VAL 20 0.136 3.675 1.025 157 HG13 VAL 20 HG13 VAL 20 0.468 1.943 1.043 158 HG21 VAL 20 HG21 VAL 20 1.756 2.857 -2.226 159 HG22 VAL 20 HG22 VAL 20 0.645 1.814 -1.336 160 HG23 VAL 20 HG23 VAL 20 0.292 3.533 -1.510 161 H ILE 21 H ILE 21 1.136 5.403 -2.028 162 HA ILE 21 HA ILE 21 -0.283 7.395 -0.436 163 HB ILE 21 HB ILE 21 -0.327 7.008 -3.423 164 HG12 ILE 21 HG12 ILE 21 1.989 7.172 -2.804 165 HG13 ILE 21 HG13 ILE 21 1.470 8.729 -3.450 166 HG21 ILE 21 HG21 ILE 21 -0.848 9.415 -1.688 167 HG22 ILE 21 HG22 ILE 21 -0.847 9.402 -3.451 168 HG23 ILE 21 HG23 ILE 21 -2.053 8.474 -2.564 169 HD11 ILE 21 HD11 ILE 21 1.756 8.094 -0.538 170 HD12 ILE 21 HD12 ILE 21 2.897 9.022 -1.511 171 HD13 ILE 21 HD13 ILE 21 1.274 9.647 -1.220 172 H VAL 22 H VAL 22 -2.127 6.728 0.409 173 HA VAL 22 HA VAL 22 -3.741 4.741 -1.050 174 HB VAL 22 HB VAL 22 -3.936 5.480 1.871 175 HG11 VAL 22 HG11 VAL 22 -5.044 3.138 0.329 176 HG12 VAL 22 HG12 VAL 22 -5.226 3.424 2.059 177 HG13 VAL 22 HG13 VAL 22 -5.965 4.530 0.901 178 HG21 VAL 22 HG21 VAL 22 -2.769 3.381 2.338 179 HG22 VAL 22 HG22 VAL 22 -2.503 3.152 0.611 180 HG23 VAL 22 HG23 VAL 22 -1.754 4.513 1.445 181 H THR 23 H THR 23 -5.421 5.635 -2.114 182 HA THR 23 HA THR 23 -6.804 7.804 -0.710 183 HB THR 23 HB THR 23 -5.510 8.874 -2.441 184 HG1 THR 23 HG1 THR 23 -7.150 10.093 -3.136 185 HG21 THR 23 HG21 THR 23 -5.241 7.016 -3.991 186 HG22 THR 23 HG22 THR 23 -5.897 8.429 -4.818 187 HG23 THR 23 HG23 THR 23 -6.957 7.085 -4.390 188 H HIS 24 H HIS 24 -8.942 8.121 -1.167 189 HA HIS 24 HA HIS 24 -10.458 6.059 -2.600 190 HB2 HIS 24 HB2 HIS 24 -10.686 5.165 -0.446 191 HB3 HIS 24 HB3 HIS 24 -10.554 6.733 0.327 192 HD1 HIS 24 HD1 HIS 24 -12.642 7.544 1.336 193 HD2 HIS 24 HD2 HIS 24 -13.354 4.946 -1.847 194 HE1 HIS 24 HE1 HIS 24 -15.140 7.245 1.238 195 HE2 HIS 24 HE2 HIS 24 -15.551 5.843 -0.811 196 H SER 25 H SER 25 -11.419 7.333 -4.086 197 HA SER 25 HA SER 25 -12.571 9.012 -5.089 198 HB2 SER 25 HB2 SER 25 -14.191 8.691 -3.239 199 HB3 SER 25 HB3 SER 25 -13.306 9.873 -2.280 200 HG SER 25 HG SER 25 -14.923 11.001 -3.223 201 H ASN 26 H ASN 26 -10.619 10.001 -2.349 202 HA ASN 26 HA ASN 26 -8.979 11.834 -3.641 203 HB2 ASN 26 HB2 ASN 26 -9.824 13.953 -2.545 204 HB3 ASN 26 HB3 ASN 26 -10.796 13.381 -3.897 205 HD21 ASN 26 HD21 ASN 26 -12.860 12.619 -3.508 206 HD22 ASN 26 HD22 ASN 26 -13.672 12.848 -1.995 207 H GLU 27 H GLU 27 -10.699 10.903 -0.800 208 HA GLU 27 HA GLU 27 -9.143 11.840 1.270 209 HB2 GLU 27 HB2 GLU 27 -11.290 10.795 1.559 210 HB3 GLU 27 HB3 GLU 27 -10.689 9.274 0.925 211 HG2 GLU 27 HG2 GLU 27 -9.162 9.160 2.874 212 HG3 GLU 27 HG3 GLU 27 -9.985 10.581 3.522 213 H ARG 28 H ARG 28 -7.005 11.564 1.624 214 HA ARG 28 HA ARG 28 -5.754 9.113 0.596 215 HB2 ARG 28 HB2 ARG 28 -5.625 11.108 -0.989 216 HB3 ARG 28 HB3 ARG 28 -4.561 11.856 0.192 217 HG2 ARG 28 HG2 ARG 28 -3.964 9.143 -0.919 218 HG3 ARG 28 HG3 ARG 28 -3.524 10.608 -1.796 219 HD2 ARG 28 HD2 ARG 28 -2.714 10.076 1.053 220 HD3 ARG 28 HD3 ARG 28 -1.728 9.623 -0.336 221 HE ARG 28 HE ARG 28 -2.500 12.396 -0.327 222 HH11 ARG 28 HH11 ARG 28 -0.159 10.055 0.765 223 HH12 ARG 28 HH12 ARG 28 1.091 11.219 1.039 224 HH21 ARG 28 HH21 ARG 28 -0.860 13.945 0.005 225 HH22 ARG 28 HH22 ARG 28 0.699 13.446 0.597 226 H TYR 29 H TYR 29 -4.420 8.180 1.939 227 HA TYR 29 HA TYR 29 -3.162 9.735 4.098 228 HB2 TYR 29 HB2 TYR 29 -4.444 7.000 4.248 229 HB3 TYR 29 HB3 TYR 29 -3.330 7.596 5.475 230 HD1 TYR 29 HD1 TYR 29 -6.647 8.093 3.933 231 HD2 TYR 29 HD2 TYR 29 -4.013 9.234 7.072 232 HE1 TYR 29 HE1 TYR 29 -8.500 9.253 5.060 233 HE2 TYR 29 HE2 TYR 29 -5.856 10.399 8.205 234 HH TYR 29 HH TYR 29 -9.149 10.068 7.198 235 H ASP 30 H ASP 30 -0.995 9.415 4.374 236 HA ASP 30 HA ASP 30 0.438 7.711 2.525 237 HB2 ASP 30 HB2 ASP 30 1.303 9.319 4.952 238 HB3 ASP 30 HB3 ASP 30 2.414 8.277 4.075 239 H LEU 31 H LEU 31 0.722 5.602 2.822 240 HA LEU 31 HA LEU 31 0.425 4.458 5.528 241 HB2 LEU 31 HB2 LEU 31 -1.147 3.995 3.296 242 HB3 LEU 31 HB3 LEU 31 -0.020 2.655 3.260 243 HG LEU 31 HG LEU 31 -2.211 2.199 4.391 244 HD11 LEU 31 HD11 LEU 31 -0.230 0.820 4.818 245 HD12 LEU 31 HD12 LEU 31 0.304 1.938 6.074 246 HD13 LEU 31 HD13 LEU 31 -1.182 1.011 6.289 247 HD21 LEU 31 HD21 LEU 31 -2.488 3.063 6.675 248 HD22 LEU 31 HD22 LEU 31 -1.052 4.069 6.476 249 HD23 LEU 31 HD23 LEU 31 -2.482 4.362 5.483 250 H LEU 32 H LEU 32 1.796 2.473 5.889 251 HA LEU 32 HA LEU 32 4.306 2.948 4.442 252 HB2 LEU 32 HB2 LEU 32 4.894 3.485 6.550 253 HB3 LEU 32 HB3 LEU 32 3.673 2.450 7.283 254 HG LEU 32 HG LEU 32 6.015 1.118 5.998 255 HD11 LEU 32 HD11 LEU 32 7.349 1.433 8.034 256 HD12 LEU 32 HD12 LEU 32 7.048 2.964 7.211 257 HD13 LEU 32 HD13 LEU 32 6.128 2.545 8.655 258 HD21 LEU 32 HD21 LEU 32 5.732 -0.392 7.910 259 HD22 LEU 32 HD22 LEU 32 4.457 0.648 8.543 260 HD23 LEU 32 HD23 LEU 32 4.225 -0.202 7.015 261 H VAL 33 H VAL 33 5.368 1.358 3.462 262 HA VAL 33 HA VAL 33 3.947 -0.939 2.676 263 HB VAL 33 HB VAL 33 6.539 0.282 1.992 264 HG11 VAL 33 HG11 VAL 33 6.385 -2.730 1.937 265 HG12 VAL 33 HG12 VAL 33 7.624 -1.741 1.163 266 HG13 VAL 33 HG13 VAL 33 7.482 -1.760 2.921 267 HG21 VAL 33 HG21 VAL 33 4.614 0.247 0.521 268 HG22 VAL 33 HG22 VAL 33 5.967 -0.614 -0.209 269 HG23 VAL 33 HG23 VAL 33 4.630 -1.515 0.505 270 H THR 34 H THR 34 4.500 -3.181 3.052 271 HA THR 34 HA THR 34 4.641 -3.424 5.920 272 HB THR 34 HB THR 34 4.154 -5.604 3.886 273 HG1 THR 34 HG1 THR 34 2.730 -3.620 3.848 274 HG21 THR 34 HG21 THR 34 3.340 -5.331 6.786 275 HG22 THR 34 HG22 THR 34 4.622 -6.376 6.174 276 HG23 THR 34 HG23 THR 34 2.943 -6.681 5.723 277 HA PRO 35 HA PRO 35 8.921 -4.550 5.757 278 HB2 PRO 35 HB2 PRO 35 9.370 -4.471 8.381 279 HB3 PRO 35 HB3 PRO 35 9.060 -2.999 7.456 280 HG2 PRO 35 HG2 PRO 35 7.169 -4.578 9.166 281 HG3 PRO 35 HG3 PRO 35 7.397 -2.820 9.083 282 HD2 PRO 35 HD2 PRO 35 5.395 -4.153 7.773 283 HD3 PRO 35 HD3 PRO 35 6.082 -2.616 7.215 284 H GLN 36 H GLN 36 10.326 -6.171 6.713 285 HA GLN 36 HA GLN 36 10.937 -8.290 7.137 286 HB2 GLN 36 HB2 GLN 36 8.061 -8.765 7.934 287 HB3 GLN 36 HB3 GLN 36 9.344 -9.962 8.066 288 HG2 GLN 36 HG2 GLN 36 10.570 -8.345 9.534 289 HG3 GLN 36 HG3 GLN 36 9.118 -7.346 9.522 290 HE21 GLN 36 HE21 GLN 36 7.274 -8.067 10.587 291 HE22 GLN 36 HE22 GLN 36 7.332 -9.327 11.768 292 H GLN 37 H GLN 37 10.494 -7.390 4.659 293 HA GLN 37 HA GLN 37 9.918 -9.936 3.317 294 HB2 GLN 37 HB2 GLN 37 8.631 -7.435 2.786 295 HB3 GLN 37 HB3 GLN 37 9.709 -7.784 1.427 296 HG2 GLN 37 HG2 GLN 37 7.229 -9.152 2.296 297 HG3 GLN 37 HG3 GLN 37 7.878 -8.884 0.670 298 HE21 GLN 37 HE21 GLN 37 7.905 -10.975 3.468 299 HE22 GLN 37 HE22 GLN 37 8.706 -12.311 2.708 300 H GLY 38 H GLY 38 10.982 -7.039 1.794 301 HA2 GLY 38 HA2 GLY 38 13.809 -7.602 2.113 302 HA3 GLY 38 HA3 GLY 38 13.180 -7.727 0.466 303 H ASN 39 H ASN 39 11.809 -5.631 2.796 304 HA ASN 39 HA ASN 39 11.186 -3.493 2.776 305 HB2 ASN 39 HB2 ASN 39 12.851 -1.772 2.624 306 HB3 ASN 39 HB3 ASN 39 13.491 -3.157 3.506 307 HD21 ASN 39 HD21 ASN 39 15.399 -3.965 2.883 308 HD22 ASN 39 HD22 ASN 39 16.262 -3.488 1.456 309 H SER 40 H SER 40 12.796 -4.267 -0.243 310 HA SER 40 HA SER 40 11.264 -2.232 -1.659 311 HB2 SER 40 HB2 SER 40 13.593 -2.380 -2.202 312 HB3 SER 40 HB3 SER 40 13.471 -4.130 -2.424 313 HG SER 40 HG SER 40 11.720 -3.067 -4.059 314 H GLU 41 H GLU 41 10.975 -5.429 -0.785 315 HA GLU 41 HA GLU 41 9.293 -6.051 -3.104 316 HB2 GLU 41 HB2 GLU 41 11.459 -7.255 -3.172 317 HB3 GLU 41 HB3 GLU 41 11.133 -7.918 -1.581 318 HG2 GLU 41 HG2 GLU 41 9.309 -9.210 -2.425 319 HG3 GLU 41 HG3 GLU 41 9.425 -8.427 -4.001 320 HA PRO 42 HA PRO 42 7.156 -5.979 1.057 321 HB2 PRO 42 HB2 PRO 42 4.898 -5.040 -0.603 322 HB3 PRO 42 HB3 PRO 42 5.574 -4.349 0.876 323 HG2 PRO 42 HG2 PRO 42 5.973 -3.184 -1.492 324 HG3 PRO 42 HG3 PRO 42 7.248 -3.222 -0.259 325 HD2 PRO 42 HD2 PRO 42 6.927 -4.917 -2.706 326 HD3 PRO 42 HD3 PRO 42 8.392 -4.170 -2.035 327 H VAL 43 H VAL 43 5.142 -7.029 1.800 328 HA VAL 43 HA VAL 43 5.081 -9.664 0.667 329 HB VAL 43 HB VAL 43 3.563 -10.233 2.493 330 HG11 VAL 43 HG11 VAL 43 5.906 -8.581 3.410 331 HG12 VAL 43 HG12 VAL 43 5.056 -9.788 4.376 332 HG13 VAL 43 HG13 VAL 43 5.950 -10.280 2.937 333 HG21 VAL 43 HG21 VAL 43 2.273 -8.179 2.609 334 HG22 VAL 43 HG22 VAL 43 2.957 -8.563 4.187 335 HG23 VAL 43 HG23 VAL 43 3.687 -7.304 3.192 336 H VAL 44 H VAL 44 3.150 -10.810 0.103 337 HA VAL 44 HA VAL 44 1.501 -9.681 -1.806 338 HB VAL 44 HB VAL 44 -0.054 -11.625 -1.322 339 HG11 VAL 44 HG11 VAL 44 2.861 -12.209 -1.808 340 HG12 VAL 44 HG12 VAL 44 1.513 -13.269 -2.222 341 HG13 VAL 44 HG13 VAL 44 1.683 -11.707 -3.023 342 HG21 VAL 44 HG21 VAL 44 2.133 -12.292 0.648 343 HG22 VAL 44 HG22 VAL 44 0.452 -11.930 1.036 344 HG23 VAL 44 HG23 VAL 44 0.854 -13.394 0.139 345 H GLN 45 H GLN 45 1.157 -9.705 1.627 346 HA GLN 45 HA GLN 45 -1.562 -8.931 1.813 347 HB2 GLN 45 HB2 GLN 45 0.682 -8.457 3.775 348 HB3 GLN 45 HB3 GLN 45 -1.035 -8.308 4.118 349 HG2 GLN 45 HG2 GLN 45 -1.299 -10.709 3.600 350 HG3 GLN 45 HG3 GLN 45 0.453 -10.817 3.415 351 HE21 GLN 45 HE21 GLN 45 0.614 -12.283 5.114 352 HE22 GLN 45 HE22 GLN 45 0.418 -11.808 6.767 353 H ASP 46 H ASP 46 1.328 -7.128 1.096 354 HA ASP 46 HA ASP 46 0.904 -4.833 2.624 355 HB2 ASP 46 HB2 ASP 46 3.072 -5.255 1.749 356 HB3 ASP 46 HB3 ASP 46 2.460 -5.346 0.110 357 H LEU 47 H LEU 47 0.026 -5.377 -0.804 358 HA LEU 47 HA LEU 47 -0.718 -2.763 -1.306 359 HB2 LEU 47 HB2 LEU 47 -1.477 -3.563 -3.323 360 HB3 LEU 47 HB3 LEU 47 -0.263 -4.715 -2.877 361 HG LEU 47 HG LEU 47 -3.239 -5.158 -2.618 362 HD11 LEU 47 HD11 LEU 47 -2.952 -6.701 -4.458 363 HD12 LEU 47 HD12 LEU 47 -2.471 -5.070 -4.928 364 HD13 LEU 47 HD13 LEU 47 -1.240 -6.279 -4.565 365 HD21 LEU 47 HD21 LEU 47 -1.991 -6.402 -0.950 366 HD22 LEU 47 HD22 LEU 47 -2.613 -7.484 -2.196 367 HD23 LEU 47 HD23 LEU 47 -0.911 -7.023 -2.199 368 H ALA 48 H ALA 48 -2.662 -5.507 -0.179 369 HA ALA 48 HA ALA 48 -5.114 -4.073 0.013 370 HB1 ALA 48 HB1 ALA 48 -5.853 -5.955 1.397 371 HB2 ALA 48 HB2 ALA 48 -5.044 -6.520 -0.065 372 HB3 ALA 48 HB3 ALA 48 -4.195 -6.550 1.480 373 H GLN 49 H GLN 49 -2.408 -4.697 2.076 374 HA GLN 49 HA GLN 49 -3.472 -4.051 4.557 375 HB2 GLN 49 HB2 GLN 49 -1.369 -5.224 4.322 376 HB3 GLN 49 HB3 GLN 49 -0.662 -3.883 3.456 377 HG2 GLN 49 HG2 GLN 49 0.254 -3.392 5.418 378 HG3 GLN 49 HG3 GLN 49 -1.316 -2.662 5.759 379 HE21 GLN 49 HE21 GLN 49 -0.843 -6.105 5.527 380 HE22 GLN 49 HE22 GLN 49 -1.109 -6.457 7.196 381 H LEU 50 H LEU 50 -1.662 -2.164 2.257 382 HA LEU 50 HA LEU 50 -1.406 0.191 3.734 383 HB2 LEU 50 HB2 LEU 50 -1.642 -0.205 0.756 384 HB3 LEU 50 HB3 LEU 50 -0.986 1.220 1.545 385 HG LEU 50 HG LEU 50 0.246 -1.530 1.812 386 HD11 LEU 50 HD11 LEU 50 1.962 -0.704 0.279 387 HD12 LEU 50 HD12 LEU 50 0.382 -0.832 -0.492 388 HD13 LEU 50 HD13 LEU 50 1.000 0.747 -0.003 389 HD21 LEU 50 HD21 LEU 50 1.274 1.197 2.517 390 HD22 LEU 50 HD22 LEU 50 0.711 -0.028 3.656 391 HD23 LEU 50 HD23 LEU 50 2.150 -0.325 2.681 392 H VAL 51 H VAL 51 -3.759 -0.594 1.203 393 HA VAL 51 HA VAL 51 -5.365 1.730 1.396 394 HB VAL 51 HB VAL 51 -5.239 -0.632 -0.089 395 HG11 VAL 51 HG11 VAL 51 -7.011 -1.586 1.263 396 HG12 VAL 51 HG12 VAL 51 -8.005 -0.157 0.988 397 HG13 VAL 51 HG13 VAL 51 -7.595 -1.218 -0.358 398 HG21 VAL 51 HG21 VAL 51 -6.665 0.665 -1.615 399 HG22 VAL 51 HG22 VAL 51 -6.929 1.832 -0.323 400 HG23 VAL 51 HG23 VAL 51 -5.310 1.588 -0.970 401 H GLU 52 H GLU 52 -5.383 -1.356 3.082 402 HA GLU 52 HA GLU 52 -7.871 -1.056 4.429 403 HB2 GLU 52 HB2 GLU 52 -7.101 -3.255 4.162 404 HB3 GLU 52 HB3 GLU 52 -5.477 -2.857 4.698 405 HG2 GLU 52 HG2 GLU 52 -6.272 -2.634 6.981 406 HG3 GLU 52 HG3 GLU 52 -7.918 -2.980 6.451 407 H GLU 53 H GLU 53 -4.479 -0.577 5.392 408 HA GLU 53 HA GLU 53 -5.076 -0.045 8.122 409 HB2 GLU 53 HB2 GLU 53 -2.939 -0.967 7.445 410 HB3 GLU 53 HB3 GLU 53 -2.587 0.465 6.496 411 HG2 GLU 53 HG2 GLU 53 -1.352 0.435 8.583 412 HG3 GLU 53 HG3 GLU 53 -2.457 1.806 8.518 413 H ALA 54 H ALA 54 -4.994 1.911 5.269 414 HA ALA 54 HA ALA 54 -4.366 4.403 6.312 415 HB1 ALA 54 HB1 ALA 54 -6.418 3.830 4.179 416 HB2 ALA 54 HB2 ALA 54 -5.587 5.360 4.450 417 HB3 ALA 54 HB3 ALA 54 -4.677 3.944 3.923 418 H THR 55 H THR 55 -7.637 2.951 6.099 419 HA THR 55 HA THR 55 -8.457 4.911 8.134 420 HB THR 55 HB THR 55 -10.828 4.068 7.223 421 HG1 THR 55 HG1 THR 55 -10.612 3.063 5.387 422 HG21 THR 55 HG21 THR 55 -10.085 6.395 7.349 423 HG22 THR 55 HG22 THR 55 -10.844 6.069 5.792 424 HG23 THR 55 HG23 THR 55 -9.087 6.163 5.913 425 H GLY 56 H GLY 56 -7.969 1.567 7.569 426 HA2 GLY 56 HA2 GLY 56 -7.873 0.037 9.382 427 HA3 GLY 56 HA3 GLY 56 -9.032 1.031 10.253 428 H VAL 57 H VAL 57 -9.678 0.324 6.944 429 HA VAL 57 HA VAL 57 -12.058 -1.131 7.780 430 HB VAL 57 HB VAL 57 -12.073 -0.950 4.981 431 HG11 VAL 57 HG11 VAL 57 -14.004 -0.780 6.442 432 HG12 VAL 57 HG12 VAL 57 -13.423 0.769 7.054 433 HG13 VAL 57 HG13 VAL 57 -13.918 0.618 5.367 434 HG21 VAL 57 HG21 VAL 57 -10.255 0.658 5.075 435 HG22 VAL 57 HG22 VAL 57 -11.754 1.443 4.574 436 HG23 VAL 57 HG23 VAL 57 -11.165 1.640 6.227 437 HA PRO 58 HA PRO 58 -10.616 -5.135 6.564 438 HB2 PRO 58 HB2 PRO 58 -12.959 -6.319 6.020 439 HB3 PRO 58 HB3 PRO 58 -12.513 -5.870 7.669 440 HG2 PRO 58 HG2 PRO 58 -14.188 -4.327 5.697 441 HG3 PRO 58 HG3 PRO 58 -14.588 -4.759 7.379 442 HD2 PRO 58 HD2 PRO 58 -13.627 -2.342 6.781 443 HD3 PRO 58 HD3 PRO 58 -13.091 -3.189 8.252 444 H LEU 59 H LEU 59 -10.404 -6.522 4.737 445 HA LEU 59 HA LEU 59 -10.047 -5.387 2.289 446 HB2 LEU 59 HB2 LEU 59 -10.802 -8.249 2.845 447 HB3 LEU 59 HB3 LEU 59 -10.207 -7.665 1.304 448 HG LEU 59 HG LEU 59 -8.141 -6.874 2.639 449 HD11 LEU 59 HD11 LEU 59 -7.649 -8.179 4.632 450 HD12 LEU 59 HD12 LEU 59 -9.100 -7.203 4.863 451 HD13 LEU 59 HD13 LEU 59 -9.241 -8.932 4.544 452 HD21 LEU 59 HD21 LEU 59 -7.104 -9.086 2.405 453 HD22 LEU 59 HD22 LEU 59 -8.702 -9.805 2.208 454 HD23 LEU 59 HD23 LEU 59 -8.092 -8.670 1.004 455 HA PRO 60 HA PRO 60 -14.423 -6.818 0.740 456 HB2 PRO 60 HB2 PRO 60 -16.141 -6.646 3.110 457 HB3 PRO 60 HB3 PRO 60 -16.023 -7.921 1.894 458 HG2 PRO 60 HG2 PRO 60 -15.107 -8.267 4.371 459 HG3 PRO 60 HG3 PRO 60 -14.277 -8.980 2.980 460 HD2 PRO 60 HD2 PRO 60 -13.626 -6.486 4.515 461 HD3 PRO 60 HD3 PRO 60 -12.531 -7.773 3.977 462 H PHE 61 H PHE 61 -13.741 -4.318 2.992 463 HA PHE 61 HA PHE 61 -16.038 -2.728 2.171 464 HB2 PHE 61 HB2 PHE 61 -14.127 -2.666 4.392 465 HB3 PHE 61 HB3 PHE 61 -14.572 -1.082 3.766 466 HD1 PHE 61 HD1 PHE 61 -16.039 -4.275 4.976 467 HD2 PHE 61 HD2 PHE 61 -16.556 -0.083 4.462 468 HE1 PHE 61 HE1 PHE 61 -18.128 -4.378 6.269 469 HE2 PHE 61 HE2 PHE 61 -18.646 -0.177 5.755 470 HZ PHE 61 HZ PHE 61 -19.450 -2.310 6.641 471 H GLN 62 H GLN 62 -12.713 -3.087 1.388 472 HA GLN 62 HA GLN 62 -12.927 -0.642 -0.222 473 HB2 GLN 62 HB2 GLN 62 -10.469 -0.456 -0.147 474 HB3 GLN 62 HB3 GLN 62 -11.206 -0.191 1.406 475 HG2 GLN 62 HG2 GLN 62 -10.535 -2.966 1.113 476 HG3 GLN 62 HG3 GLN 62 -9.140 -1.965 0.701 477 HE21 GLN 62 HE21 GLN 62 -9.476 -3.709 2.954 478 HE22 GLN 62 HE22 GLN 62 -9.306 -2.732 4.372 479 H LYS 63 H LYS 63 -12.549 -0.921 -2.434 480 HA LYS 63 HA LYS 63 -11.276 -3.454 -3.194 481 HB2 LYS 63 HB2 LYS 63 -13.416 -2.837 -4.364 482 HB3 LYS 63 HB3 LYS 63 -12.567 -1.456 -5.056 483 HG2 LYS 63 HG2 LYS 63 -10.981 -2.951 -6.136 484 HG3 LYS 63 HG3 LYS 63 -11.791 -4.342 -5.419 485 HD2 LYS 63 HD2 LYS 63 -13.852 -3.711 -6.649 486 HD3 LYS 63 HD3 LYS 63 -12.940 -2.423 -7.442 487 HE2 LYS 63 HE2 LYS 63 -11.388 -4.085 -8.354 488 HE3 LYS 63 HE3 LYS 63 -12.299 -5.369 -7.563 489 HZ1 LYS 63 HZ1 LYS 63 -13.251 -3.591 -9.740 490 HZ2 LYS 63 HZ2 LYS 63 -14.244 -4.682 -8.902 491 HZ3 LYS 63 HZ3 LYS 63 -12.949 -5.257 -9.834 492 H LEU 64 H LEU 64 -9.162 -3.099 -2.812 493 HA LEU 64 HA LEU 64 -7.943 -0.592 -3.485 494 HB2 LEU 64 HB2 LEU 64 -7.103 -1.640 -1.528 495 HB3 LEU 64 HB3 LEU 64 -6.948 -3.185 -2.341 496 HG LEU 64 HG LEU 64 -4.831 -1.792 -1.733 497 HD11 LEU 64 HD11 LEU 64 -3.617 -2.662 -3.678 498 HD12 LEU 64 HD12 LEU 64 -4.718 -3.859 -2.987 499 HD13 LEU 64 HD13 LEU 64 -5.157 -3.008 -4.468 500 HD21 LEU 64 HD21 LEU 64 -5.535 0.295 -2.741 501 HD22 LEU 64 HD22 LEU 64 -4.075 -0.315 -3.521 502 HD23 LEU 64 HD23 LEU 64 -5.635 -0.486 -4.320 503 H ILE 65 H ILE 65 -7.418 -0.073 -5.380 504 HA ILE 65 HA ILE 65 -6.216 -2.042 -7.218 505 HB ILE 65 HB ILE 65 -7.893 0.375 -7.837 506 HG12 ILE 65 HG12 ILE 65 -9.144 -1.594 -6.919 507 HG13 ILE 65 HG13 ILE 65 -9.642 -1.153 -8.544 508 HG21 ILE 65 HG21 ILE 65 -6.207 0.025 -9.545 509 HG22 ILE 65 HG22 ILE 65 -6.655 -1.677 -9.689 510 HG23 ILE 65 HG23 ILE 65 -7.788 -0.421 -10.193 511 HD11 ILE 65 HD11 ILE 65 -9.500 -3.554 -8.307 512 HD12 ILE 65 HD12 ILE 65 -8.267 -2.985 -9.433 513 HD13 ILE 65 HD13 ILE 65 -7.821 -3.424 -7.784 514 H PHE 66 H PHE 66 -4.091 -1.513 -7.012 515 HA PHE 66 HA PHE 66 -3.278 0.772 -8.384 516 HB2 PHE 66 HB2 PHE 66 -3.533 1.335 -5.693 517 HB3 PHE 66 HB3 PHE 66 -1.801 1.113 -5.965 518 HD1 PHE 66 HD1 PHE 66 -1.002 2.187 -8.313 519 HD2 PHE 66 HD2 PHE 66 -4.315 3.490 -5.982 520 HE1 PHE 66 HE1 PHE 66 -0.883 4.398 -9.385 521 HE2 PHE 66 HE2 PHE 66 -4.200 5.704 -7.048 522 HZ PHE 66 HZ PHE 66 -2.485 6.160 -8.755 523 H LYS 67 H LYS 67 -1.096 0.777 -8.948 524 HA LYS 67 HA LYS 67 0.875 -0.121 -9.541 525 HB2 LYS 67 HB2 LYS 67 1.599 -2.195 -7.877 526 HB3 LYS 67 HB3 LYS 67 2.059 -0.529 -7.685 527 HG2 LYS 67 HG2 LYS 67 0.351 -0.192 -6.008 528 HG3 LYS 67 HG3 LYS 67 -0.308 -1.823 -6.262 529 HD2 LYS 67 HD2 LYS 67 1.940 -2.719 -5.559 530 HD3 LYS 67 HD3 LYS 67 2.452 -1.076 -5.194 531 HE2 LYS 67 HE2 LYS 67 0.250 -1.134 -3.704 532 HE3 LYS 67 HE3 LYS 67 0.568 -2.866 -3.739 533 HZ1 LYS 67 HZ1 LYS 67 2.370 -0.737 -2.720 534 HZ2 LYS 67 HZ2 LYS 67 2.874 -2.330 -2.972 535 HZ3 LYS 67 HZ3 LYS 67 1.665 -1.998 -1.836 536 H GLY 68 H GLY 68 -1.580 -1.073 -10.513 537 HA2 GLY 68 HA2 GLY 68 -2.437 -2.714 -11.845 538 HA3 GLY 68 HA3 GLY 68 -0.794 -3.330 -12.000 539 H LYS 69 H LYS 69 -1.931 -3.012 -8.861 540 HA LYS 69 HA LYS 69 -2.453 -5.902 -8.705 541 HB2 LYS 69 HB2 LYS 69 -1.298 -4.147 -6.543 542 HB3 LYS 69 HB3 LYS 69 -1.433 -5.898 -6.533 543 HG2 LYS 69 HG2 LYS 69 0.199 -6.061 -8.310 544 HG3 LYS 69 HG3 LYS 69 0.303 -4.300 -8.394 545 HD2 LYS 69 HD2 LYS 69 2.146 -4.945 -7.093 546 HD3 LYS 69 HD3 LYS 69 0.942 -4.395 -5.925 547 HE2 LYS 69 HE2 LYS 69 1.815 -6.404 -5.050 548 HE3 LYS 69 HE3 LYS 69 0.237 -6.812 -5.714 549 HZ1 LYS 69 HZ1 LYS 69 2.856 -7.268 -7.027 550 HZ2 LYS 69 HZ2 LYS 69 1.352 -7.608 -7.724 551 HZ3 LYS 69 HZ3 LYS 69 1.861 -8.449 -6.343 552 H SER 70 H SER 70 -4.069 -6.573 -7.328 553 HA SER 70 HA SER 70 -5.821 -4.466 -6.272 554 HB2 SER 70 HB2 SER 70 -6.815 -5.614 -8.224 555 HB3 SER 70 HB3 SER 70 -6.607 -7.168 -7.420 556 HG SER 70 HG SER 70 -8.231 -6.723 -6.063 557 H LEU 71 H LEU 71 -6.953 -5.019 -4.279 558 HA LEU 71 HA LEU 71 -5.000 -5.997 -2.468 559 HB2 LEU 71 HB2 LEU 71 -6.314 -5.253 -0.739 560 HB3 LEU 71 HB3 LEU 71 -6.814 -4.238 -2.089 561 HG LEU 71 HG LEU 71 -8.340 -6.690 -1.216 562 HD11 LEU 71 HD11 LEU 71 -9.889 -5.152 -0.126 563 HD12 LEU 71 HD12 LEU 71 -8.284 -5.088 0.602 564 HD13 LEU 71 HD13 LEU 71 -8.807 -3.808 -0.489 565 HD21 LEU 71 HD21 LEU 71 -10.164 -5.712 -2.500 566 HD22 LEU 71 HD22 LEU 71 -9.132 -4.356 -2.956 567 HD23 LEU 71 HD23 LEU 71 -8.753 -5.984 -3.521 568 H LYS 72 H LYS 72 -4.868 -7.690 -1.169 569 HA LYS 72 HA LYS 72 -6.898 -9.591 -0.680 570 HB2 LYS 72 HB2 LYS 72 -5.592 -10.023 -3.084 571 HB3 LYS 72 HB3 LYS 72 -4.650 -10.992 -1.966 572 HG2 LYS 72 HG2 LYS 72 -6.160 -12.538 -2.643 573 HG3 LYS 72 HG3 LYS 72 -7.037 -11.868 -1.265 574 HD2 LYS 72 HD2 LYS 72 -8.545 -10.764 -2.588 575 HD3 LYS 72 HD3 LYS 72 -7.405 -10.593 -3.925 576 HE2 LYS 72 HE2 LYS 72 -8.894 -13.076 -3.095 577 HE3 LYS 72 HE3 LYS 72 -9.091 -12.155 -4.587 578 HZ1 LYS 72 HZ1 LYS 72 -6.729 -13.749 -3.768 579 HZ2 LYS 72 HZ2 LYS 72 -6.733 -12.716 -5.106 580 HZ3 LYS 72 HZ3 LYS 72 -7.768 -14.063 -5.065 581 H GLU 73 H GLU 73 -5.799 -11.520 0.577 582 HA GLU 73 HA GLU 73 -3.747 -10.355 2.281 583 HB2 GLU 73 HB2 GLU 73 -3.992 -12.434 3.636 584 HB3 GLU 73 HB3 GLU 73 -5.482 -11.526 3.456 585 HG2 GLU 73 HG2 GLU 73 -4.816 -13.878 1.718 586 HG3 GLU 73 HG3 GLU 73 -5.626 -14.047 3.273 587 H MET 74 H MET 74 -4.003 -12.503 -0.357 588 HA MET 74 HA MET 74 -1.123 -12.620 -0.509 589 HB2 MET 74 HB2 MET 74 -1.107 -15.087 -0.955 590 HB3 MET 74 HB3 MET 74 -1.446 -14.649 0.710 591 HG2 MET 74 HG2 MET 74 -3.780 -15.116 0.417 592 HG3 MET 74 HG3 MET 74 -3.550 -15.383 -1.312 593 HE1 MET 74 HE1 MET 74 -1.418 -18.653 -1.365 594 HE2 MET 74 HE2 MET 74 -2.308 -17.485 -2.342 595 HE3 MET 74 HE3 MET 74 -0.876 -16.976 -1.450 596 H GLU 75 H GLU 75 -1.818 -11.127 -2.230 597 HA GLU 75 HA GLU 75 -3.359 -12.329 -4.353 598 HB2 GLU 75 HB2 GLU 75 -3.967 -10.121 -3.441 599 HB3 GLU 75 HB3 GLU 75 -2.449 -9.482 -4.046 600 HG2 GLU 75 HG2 GLU 75 -4.270 -8.888 -5.513 601 HG3 GLU 75 HG3 GLU 75 -3.147 -9.973 -6.333 602 H THR 76 H THR 76 -1.127 -9.818 -5.211 603 HA THR 76 HA THR 76 -0.012 -11.738 -7.137 604 HB THR 76 HB THR 76 0.584 -9.501 -8.370 605 HG1 THR 76 HG1 THR 76 -1.728 -8.393 -7.508 606 HG21 THR 76 HG21 THR 76 -2.245 -10.542 -8.205 607 HG22 THR 76 HG22 THR 76 -0.956 -11.222 -9.199 608 HG23 THR 76 HG23 THR 76 -1.563 -9.599 -9.530 609 HA PRO 77 HA PRO 77 4.235 -12.054 -6.279 610 HB2 PRO 77 HB2 PRO 77 4.546 -9.980 -8.422 611 HB3 PRO 77 HB3 PRO 77 5.519 -11.424 -8.117 612 HG2 PRO 77 HG2 PRO 77 3.502 -11.369 -9.940 613 HG3 PRO 77 HG3 PRO 77 3.972 -12.830 -9.057 614 HD2 PRO 77 HD2 PRO 77 1.510 -11.322 -8.871 615 HD3 PRO 77 HD3 PRO 77 1.930 -12.852 -8.078 616 H LEU 78 H LEU 78 5.428 -11.328 -4.758 617 HA LEU 78 HA LEU 78 5.021 -8.896 -3.401 618 HB2 LEU 78 HB2 LEU 78 7.211 -10.946 -3.166 619 HB3 LEU 78 HB3 LEU 78 6.969 -9.628 -2.038 620 HG LEU 78 HG LEU 78 4.576 -10.629 -1.840 621 HD11 LEU 78 HD11 LEU 78 6.149 -13.038 -2.751 622 HD12 LEU 78 HD12 LEU 78 4.523 -13.066 -2.066 623 HD13 LEU 78 HD13 LEU 78 4.813 -12.281 -3.619 624 HD21 LEU 78 HD21 LEU 78 6.152 -10.488 -0.005 625 HD22 LEU 78 HD22 LEU 78 5.336 -12.052 0.012 626 HD23 LEU 78 HD23 LEU 78 6.990 -11.929 -0.588 627 H SER 79 H SER 79 7.577 -9.962 -5.595 628 HA SER 79 HA SER 79 9.260 -7.758 -5.413 629 HB2 SER 79 HB2 SER 79 8.579 -9.201 -7.984 630 HB3 SER 79 HB3 SER 79 10.078 -8.360 -7.601 631 HG SER 79 HG SER 79 10.423 -9.943 -5.936 632 H ALA 80 H ALA 80 6.306 -8.213 -7.178 633 HA ALA 80 HA ALA 80 6.357 -5.660 -8.490 634 HB1 ALA 80 HB1 ALA 80 4.105 -7.643 -8.241 635 HB2 ALA 80 HB2 ALA 80 4.181 -6.278 -9.355 636 HB3 ALA 80 HB3 ALA 80 5.311 -7.622 -9.528 637 H LEU 81 H LEU 81 5.999 -6.326 -5.334 638 HA LEU 81 HA LEU 81 3.369 -5.412 -4.786 639 HB2 LEU 81 HB2 LEU 81 5.263 -6.864 -3.432 640 HB3 LEU 81 HB3 LEU 81 5.159 -5.385 -2.499 641 HG LEU 81 HG LEU 81 3.616 -6.874 -1.489 642 HD11 LEU 81 HD11 LEU 81 2.007 -5.171 -3.393 643 HD12 LEU 81 HD12 LEU 81 1.423 -5.906 -1.899 644 HD13 LEU 81 HD13 LEU 81 2.665 -4.655 -1.839 645 HD21 LEU 81 HD21 LEU 81 1.940 -8.133 -2.747 646 HD22 LEU 81 HD22 LEU 81 2.609 -7.514 -4.258 647 HD23 LEU 81 HD23 LEU 81 3.583 -8.560 -3.225 648 H GLY 82 H GLY 82 5.354 -3.354 -6.052 649 HA2 GLY 82 HA2 GLY 82 4.971 -0.964 -5.760 650 HA3 GLY 82 HA3 GLY 82 4.657 -1.288 -4.080 651 H MET 83 H MET 83 7.529 -2.450 -5.880 652 HA MET 83 HA MET 83 9.230 -1.373 -3.880 653 HB2 MET 83 HB2 MET 83 11.069 -1.850 -5.561 654 HB3 MET 83 HB3 MET 83 10.080 -3.219 -5.082 655 HG2 MET 83 HG2 MET 83 8.785 -2.968 -7.167 656 HG3 MET 83 HG3 MET 83 9.876 -1.666 -7.652 657 HE1 MET 83 HE1 MET 83 10.875 -4.722 -9.957 658 HE2 MET 83 HE2 MET 83 9.259 -4.343 -9.362 659 HE3 MET 83 HE3 MET 83 10.313 -3.051 -9.939 660 H GLN 84 H GLN 84 8.412 0.671 -3.767 661 HA GLN 84 HA GLN 84 10.333 2.533 -4.613 662 HB2 GLN 84 HB2 GLN 84 8.494 4.241 -5.302 663 HB3 GLN 84 HB3 GLN 84 9.076 3.136 -6.525 664 HG2 GLN 84 HG2 GLN 84 7.075 1.709 -6.031 665 HG3 GLN 84 HG3 GLN 84 6.492 3.016 -4.997 666 HE21 GLN 84 HE21 GLN 84 8.272 3.489 -7.965 667 HE22 GLN 84 HE22 GLN 84 6.976 4.203 -8.855 668 H ASN 85 H ASN 85 9.410 4.741 -3.212 669 HA ASN 85 HA ASN 85 8.938 3.684 -0.622 670 HB2 ASN 85 HB2 ASN 85 8.109 6.000 -0.002 671 HB3 ASN 85 HB3 ASN 85 9.708 5.995 -0.754 672 HD21 ASN 85 HD21 ASN 85 7.808 8.160 -0.579 673 HD22 ASN 85 HD22 ASN 85 7.468 8.636 -2.210 674 H GLY 86 H GLY 86 7.313 2.364 -0.357 675 HA2 GLY 86 HA2 GLY 86 5.277 1.479 -0.153 676 HA3 GLY 86 HA3 GLY 86 4.686 3.129 -0.006 677 H CYS 87 H CYS 87 5.622 3.596 -2.901 678 HA CYS 87 HA CYS 87 4.655 3.681 -4.956 679 HB2 CYS 87 HB2 CYS 87 4.735 1.153 -4.688 680 HB3 CYS 87 HB3 CYS 87 3.044 1.273 -4.211 681 HG CYS 87 HG CYS 87 4.165 2.438 -7.221 682 H ARG 88 H ARG 88 1.859 2.736 -5.439 683 HA ARG 88 HA ARG 88 0.368 4.507 -3.626 684 HB2 ARG 88 HB2 ARG 88 -0.245 4.233 -6.575 685 HB3 ARG 88 HB3 ARG 88 -1.010 5.317 -5.428 686 HG2 ARG 88 HG2 ARG 88 0.368 6.751 -6.562 687 HG3 ARG 88 HG3 ARG 88 1.391 6.308 -5.195 688 HD2 ARG 88 HD2 ARG 88 2.943 5.605 -6.623 689 HD3 ARG 88 HD3 ARG 88 1.824 4.368 -7.191 690 HE ARG 88 HE ARG 88 1.044 6.493 -8.618 691 HH11 ARG 88 HH11 ARG 88 4.223 5.159 -8.002 692 HH12 ARG 88 HH12 ARG 88 4.889 5.736 -9.497 693 HH21 ARG 88 HH21 ARG 88 1.900 7.206 -10.599 694 HH22 ARG 88 HH22 ARG 88 3.572 6.879 -10.983 695 H VAL 89 H VAL 89 -1.779 3.846 -3.237 696 HA VAL 89 HA VAL 89 -2.862 1.442 -4.448 697 HB VAL 89 HB VAL 89 -3.439 0.485 -2.168 698 HG11 VAL 89 HG11 VAL 89 -0.541 0.455 -2.974 699 HG12 VAL 89 HG12 VAL 89 -1.325 -0.717 -1.914 700 HG13 VAL 89 HG13 VAL 89 -1.815 -0.591 -3.603 701 HG21 VAL 89 HG21 VAL 89 -1.181 2.259 -1.268 702 HG22 VAL 89 HG22 VAL 89 -2.875 2.409 -0.804 703 HG23 VAL 89 HG23 VAL 89 -1.946 0.996 -0.307 704 H MET 90 H MET 90 -4.825 2.140 -5.040 705 HA MET 90 HA MET 90 -6.208 3.666 -2.943 706 HB2 MET 90 HB2 MET 90 -6.815 5.334 -4.189 707 HB3 MET 90 HB3 MET 90 -5.520 4.824 -5.264 708 HG2 MET 90 HG2 MET 90 -7.183 3.538 -6.575 709 HG3 MET 90 HG3 MET 90 -8.444 4.159 -5.507 710 HE1 MET 90 HE1 MET 90 -9.905 5.243 -7.375 711 HE2 MET 90 HE2 MET 90 -9.249 6.198 -8.705 712 HE3 MET 90 HE3 MET 90 -8.823 4.493 -8.552 713 H LEU 91 H LEU 91 -8.105 3.175 -2.380 714 HA LEU 91 HA LEU 91 -9.252 0.818 -3.643 715 HB2 LEU 91 HB2 LEU 91 -10.317 0.297 -1.552 716 HB3 LEU 91 HB3 LEU 91 -8.592 0.422 -1.350 717 HG LEU 91 HG LEU 91 -9.422 1.346 0.586 718 HD11 LEU 91 HD11 LEU 91 -7.813 2.868 -0.342 719 HD12 LEU 91 HD12 LEU 91 -9.088 3.737 -1.195 720 HD13 LEU 91 HD13 LEU 91 -9.045 3.743 0.567 721 HD21 LEU 91 HD21 LEU 91 -11.307 2.905 0.743 722 HD22 LEU 91 HD22 LEU 91 -11.529 2.801 -1.003 723 HD23 LEU 91 HD23 LEU 91 -11.773 1.374 0.003 724 H ILE 92 H ILE 92 -11.127 0.936 -4.591 725 HA ILE 92 HA ILE 92 -12.686 3.347 -4.064 726 HB ILE 92 HB ILE 92 -12.909 1.434 -6.408 727 HG12 ILE 92 HG12 ILE 92 -11.874 4.275 -6.263 728 HG13 ILE 92 HG13 ILE 92 -10.891 2.834 -6.494 729 HG21 ILE 92 HG21 ILE 92 -14.527 2.967 -7.341 730 HG22 ILE 92 HG22 ILE 92 -15.068 2.439 -5.747 731 HG23 ILE 92 HG23 ILE 92 -14.356 4.039 -5.951 732 HD11 ILE 92 HD11 ILE 92 -11.232 4.012 -8.586 733 HD12 ILE 92 HD12 ILE 92 -11.997 2.425 -8.631 734 HD13 ILE 92 HD13 ILE 92 -12.981 3.870 -8.398 735 H GLY 93 H GLY 93 -14.139 3.142 -2.694 736 HA2 GLY 93 HA2 GLY 93 -16.326 1.511 -2.695 737 HA3 GLY 93 HA3 GLY 93 -15.113 0.614 -1.781 738 H GLU 94 H GLU 94 -15.153 0.949 0.326 739 HA GLU 94 HA GLU 94 -15.982 3.609 1.265 740 HB2 GLU 94 HB2 GLU 94 -16.688 0.923 2.441 741 HB3 GLU 94 HB3 GLU 94 -17.066 2.469 3.187 742 HG2 GLU 94 HG2 GLU 94 -18.097 1.509 0.522 743 HG3 GLU 94 HG3 GLU 94 -18.993 1.489 2.041 744 H LYS 95 H LYS 95 -14.184 4.512 2.084 745 HA LYS 95 HA LYS 95 -12.292 2.967 3.653 746 HB2 LYS 95 HB2 LYS 95 -12.414 5.712 2.567 747 HB3 LYS 95 HB3 LYS 95 -11.687 5.598 4.161 748 HG2 LYS 95 HG2 LYS 95 -10.169 3.808 3.173 749 HG3 LYS 95 HG3 LYS 95 -10.759 4.343 1.595 750 HD2 LYS 95 HD2 LYS 95 -10.031 6.635 2.122 751 HD3 LYS 95 HD3 LYS 95 -9.415 6.070 3.672 752 HE2 LYS 95 HE2 LYS 95 -7.816 4.605 2.501 753 HE3 LYS 95 HE3 LYS 95 -8.444 5.185 0.949 754 HZ1 LYS 95 HZ1 LYS 95 -6.442 6.371 1.539 755 HZ2 LYS 95 HZ2 LYS 95 -7.108 6.845 3.019 756 HZ3 LYS 95 HZ3 LYS 95 -7.757 7.438 1.573 757 H SER 96 H SER 96 -14.521 2.449 4.806 758 HA SER 96 HA SER 96 -15.667 4.377 6.512 759 HB2 SER 96 HB2 SER 96 -15.635 1.365 6.781 760 HB3 SER 96 HB3 SER 96 -16.703 2.451 7.667 761 HG SER 96 HG SER 96 -17.911 1.911 5.968 762 H ASN 97 H ASN 97 -15.179 5.101 8.496 763 HA ASN 97 HA ASN 97 -12.874 3.876 9.865 764 HB2 ASN 97 HB2 ASN 97 -12.564 6.244 9.046 765 HB3 ASN 97 HB3 ASN 97 -13.844 6.731 10.152 766 HD21 ASN 97 HD21 ASN 97 -11.132 7.632 10.139 767 HD22 ASN 97 HD22 ASN 97 -10.432 7.176 11.656 Start of MODEL 3 1 H1 MET 1 H1 MET 1 0.148 12.537 -8.831 2 H2 MET 1 H2 MET 1 0.630 10.932 -9.068 3 H3 MET 1 H3 MET 1 1.076 12.124 -10.190 4 HB2 MET 1 HB2 MET 1 1.159 12.448 -6.537 5 HB3 MET 1 HB3 MET 1 1.643 10.791 -6.871 6 HG2 MET 1 HG2 MET 1 3.977 11.393 -6.464 7 HG3 MET 1 HG3 MET 1 3.488 13.052 -6.125 8 HE1 MET 1 HE1 MET 1 0.786 12.649 -4.497 9 HE2 MET 1 HE2 MET 1 1.402 12.651 -2.844 10 HE3 MET 1 HE3 MET 1 2.057 13.780 -4.029 11 H ALA 2 H ALA 2 4.407 13.031 -9.173 12 HA ALA 2 HA ALA 2 5.255 10.678 -10.583 13 HB1 ALA 2 HB1 ALA 2 6.812 13.154 -9.845 14 HB2 ALA 2 HB2 ALA 2 7.312 11.917 -10.999 15 HB3 ALA 2 HB3 ALA 2 5.898 12.916 -11.335 16 H LYS 3 H LYS 3 5.168 9.105 -8.950 17 HA LYS 3 HA LYS 3 7.167 9.359 -6.804 18 HB2 LYS 3 HB2 LYS 3 4.792 9.070 -6.113 19 HB3 LYS 3 HB3 LYS 3 4.770 7.528 -6.955 20 HG2 LYS 3 HG2 LYS 3 6.784 6.944 -5.433 21 HG3 LYS 3 HG3 LYS 3 6.197 8.292 -4.449 22 HD2 LYS 3 HD2 LYS 3 3.889 6.928 -4.959 23 HD3 LYS 3 HD3 LYS 3 5.068 5.612 -4.846 24 HE2 LYS 3 HE2 LYS 3 4.073 6.063 -2.685 25 HE3 LYS 3 HE3 LYS 3 5.793 6.447 -2.678 26 HZ1 LYS 3 HZ1 LYS 3 3.628 8.460 -3.006 27 HZ2 LYS 3 HZ2 LYS 3 5.285 8.779 -2.855 28 HZ3 LYS 3 HZ3 LYS 3 4.422 8.128 -1.552 29 H THR 4 H THR 4 8.938 8.182 -7.042 30 HA THR 4 HA THR 4 8.906 5.458 -7.904 31 HB THR 4 HB THR 4 10.374 7.377 -9.734 32 HG1 THR 4 HG1 THR 4 7.783 6.435 -9.838 33 HG21 THR 4 HG21 THR 4 9.875 4.409 -9.944 34 HG22 THR 4 HG22 THR 4 11.404 5.170 -9.501 35 HG23 THR 4 HG23 THR 4 10.739 5.402 -11.117 36 H GLU 5 H GLU 5 11.067 8.298 -7.842 37 HA GLU 5 HA GLU 5 13.308 6.576 -7.150 38 HB2 GLU 5 HB2 GLU 5 13.192 9.522 -7.815 39 HB3 GLU 5 HB3 GLU 5 14.660 8.572 -7.633 40 HG2 GLU 5 HG2 GLU 5 12.548 7.922 -9.661 41 HG3 GLU 5 HG3 GLU 5 13.883 9.023 -9.991 42 H GLU 6 H GLU 6 11.333 7.061 -5.080 43 HA GLU 6 HA GLU 6 12.749 8.830 -3.232 44 HB2 GLU 6 HB2 GLU 6 10.039 7.549 -3.183 45 HB3 GLU 6 HB3 GLU 6 10.740 8.216 -1.722 46 HG2 GLU 6 HG2 GLU 6 9.388 9.910 -2.512 47 HG3 GLU 6 HG3 GLU 6 10.988 10.379 -3.086 48 H MET 7 H MET 7 10.941 5.924 -2.477 49 HA MET 7 HA MET 7 11.258 4.351 -0.910 50 HB2 MET 7 HB2 MET 7 13.725 4.299 -2.541 51 HB3 MET 7 HB3 MET 7 13.796 3.453 -0.997 52 HG2 MET 7 HG2 MET 7 11.890 2.115 -1.594 53 HG3 MET 7 HG3 MET 7 11.706 2.995 -3.113 54 HE1 MET 7 HE1 MET 7 15.277 0.232 -2.128 55 HE2 MET 7 HE2 MET 7 15.054 1.815 -1.381 56 HE3 MET 7 HE3 MET 7 13.917 0.511 -1.041 57 H VAL 8 H VAL 8 11.270 6.751 0.241 58 HA VAL 8 HA VAL 8 12.566 6.265 2.672 59 HB VAL 8 HB VAL 8 14.610 6.820 1.462 60 HG11 VAL 8 HG11 VAL 8 13.334 9.472 0.823 61 HG12 VAL 8 HG12 VAL 8 15.023 9.056 0.533 62 HG13 VAL 8 HG13 VAL 8 13.742 8.194 -0.321 63 HG21 VAL 8 HG21 VAL 8 14.553 7.452 3.780 64 HG22 VAL 8 HG22 VAL 8 15.472 8.643 2.860 65 HG23 VAL 8 HG23 VAL 8 13.823 9.006 3.373 66 H GLN 9 H GLN 9 10.115 6.721 2.794 67 HA GLN 9 HA GLN 9 9.890 9.579 3.538 68 HB2 GLN 9 HB2 GLN 9 7.843 7.813 2.238 69 HB3 GLN 9 HB3 GLN 9 7.384 9.254 3.128 70 HG2 GLN 9 HG2 GLN 9 9.269 9.206 0.786 71 HG3 GLN 9 HG3 GLN 9 7.556 9.611 0.697 72 HE21 GLN 9 HE21 GLN 9 10.699 10.645 1.806 73 HE22 GLN 9 HE22 GLN 9 10.278 12.309 2.064 74 H THR 10 H THR 10 8.211 6.464 4.219 75 HA THR 10 HA THR 10 8.109 7.311 7.042 76 HB THR 10 HB THR 10 6.286 5.301 5.704 77 HG1 THR 10 HG1 THR 10 5.840 8.079 6.250 78 HG21 THR 10 HG21 THR 10 6.450 5.082 8.133 79 HG22 THR 10 HG22 THR 10 4.862 5.689 7.664 80 HG23 THR 10 HG23 THR 10 6.067 6.794 8.322 81 H GLU 11 H GLU 11 9.783 6.329 8.074 82 HA GLU 11 HA GLU 11 10.596 3.683 7.238 83 HB2 GLU 11 HB2 GLU 11 12.188 5.580 7.738 84 HB3 GLU 11 HB3 GLU 11 11.836 5.301 9.437 85 HG2 GLU 11 HG2 GLU 11 12.685 3.067 9.318 86 HG3 GLU 11 HG3 GLU 11 12.890 3.191 7.573 87 H GLU 12 H GLU 12 10.566 1.927 8.281 88 HA GLU 12 HA GLU 12 9.986 1.668 11.116 89 HB2 GLU 12 HB2 GLU 12 7.960 1.219 9.310 90 HB3 GLU 12 HB3 GLU 12 8.702 -0.371 9.385 91 HG2 GLU 12 HG2 GLU 12 7.860 1.112 11.854 92 HG3 GLU 12 HG3 GLU 12 6.745 0.102 10.938 93 H MET 13 H MET 13 10.549 -0.883 11.575 94 HA MET 13 HA MET 13 13.297 -0.819 11.169 95 HB2 MET 13 HB2 MET 13 11.595 -3.158 11.983 96 HB3 MET 13 HB3 MET 13 13.347 -3.098 12.097 97 HG2 MET 13 HG2 MET 13 13.154 -1.160 13.608 98 HG3 MET 13 HG3 MET 13 11.400 -1.332 13.554 99 HE1 MET 13 HE1 MET 13 14.788 -2.983 14.649 100 HE2 MET 13 HE2 MET 13 14.238 -4.527 15.296 101 HE3 MET 13 HE3 MET 13 14.093 -4.194 13.571 102 H GLU 14 H GLU 14 10.965 -2.920 9.375 103 HA GLU 14 HA GLU 14 13.259 -3.589 7.662 104 HB2 GLU 14 HB2 GLU 14 11.999 -5.498 8.726 105 HB3 GLU 14 HB3 GLU 14 10.653 -5.080 7.678 106 HG2 GLU 14 HG2 GLU 14 11.967 -6.906 6.738 107 HG3 GLU 14 HG3 GLU 14 12.031 -5.477 5.699 108 H THR 15 H THR 15 10.982 -1.348 7.656 109 HA THR 15 HA THR 15 10.483 -1.424 4.786 110 HB THR 15 HB THR 15 9.445 0.710 5.011 111 HG1 THR 15 HG1 THR 15 11.093 0.829 7.213 112 HG21 THR 15 HG21 THR 15 8.825 -0.969 7.441 113 HG22 THR 15 HG22 THR 15 8.083 -1.117 5.848 114 HG23 THR 15 HG23 THR 15 7.807 0.328 6.820 115 HA PRO 16 HA PRO 16 14.221 0.935 4.102 116 HB2 PRO 16 HB2 PRO 16 13.857 1.434 1.448 117 HB3 PRO 16 HB3 PRO 16 14.408 -0.120 2.080 118 HG2 PRO 16 HG2 PRO 16 11.867 0.549 0.844 119 HG3 PRO 16 HG3 PRO 16 12.546 -1.042 1.222 120 HD2 PRO 16 HD2 PRO 16 10.556 0.518 2.699 121 HD3 PRO 16 HD3 PRO 16 11.048 -1.189 2.919 122 H ARG 17 H ARG 17 12.038 2.115 5.320 123 HA ARG 17 HA ARG 17 10.820 3.972 5.696 124 HB2 ARG 17 HB2 ARG 17 13.202 4.922 5.569 125 HB3 ARG 17 HB3 ARG 17 12.779 5.457 3.944 126 HG2 ARG 17 HG2 ARG 17 11.019 6.844 4.797 127 HG3 ARG 17 HG3 ARG 17 11.245 6.207 6.425 128 HD2 ARG 17 HD2 ARG 17 13.504 7.186 6.465 129 HD3 ARG 17 HD3 ARG 17 13.223 7.851 4.853 130 HE ARG 17 HE ARG 17 11.368 8.579 7.005 131 HH11 ARG 17 HH11 ARG 17 14.011 9.500 4.898 132 HH12 ARG 17 HH12 ARG 17 13.766 11.206 5.116 133 HH21 ARG 17 HH21 ARG 17 11.049 10.822 7.304 134 HH22 ARG 17 HH22 ARG 17 12.069 11.954 6.469 135 H LEU 18 H LEU 18 9.305 2.733 4.221 136 HA LEU 18 HA LEU 18 8.947 4.192 1.689 137 HB2 LEU 18 HB2 LEU 18 8.753 1.356 2.389 138 HB3 LEU 18 HB3 LEU 18 7.477 1.988 1.375 139 HG LEU 18 HG LEU 18 8.962 2.583 -0.353 140 HD11 LEU 18 HD11 LEU 18 10.714 3.553 1.023 141 HD12 LEU 18 HD12 LEU 18 11.227 1.938 1.514 142 HD13 LEU 18 HD13 LEU 18 11.371 2.434 -0.172 143 HD21 LEU 18 HD21 LEU 18 9.850 -0.068 0.778 144 HD22 LEU 18 HD22 LEU 18 8.433 0.202 -0.236 145 HD23 LEU 18 HD23 LEU 18 10.050 0.466 -0.890 146 H SER 19 H SER 19 7.187 5.255 1.307 147 HA SER 19 HA SER 19 4.835 4.852 2.995 148 HB2 SER 19 HB2 SER 19 6.019 6.813 3.760 149 HB3 SER 19 HB3 SER 19 6.100 7.441 2.106 150 HG SER 19 HG SER 19 3.782 7.060 3.710 151 H VAL 20 H VAL 20 3.051 4.577 1.933 152 HA VAL 20 HA VAL 20 3.033 4.845 -0.991 153 HB VAL 20 HB VAL 20 2.702 2.574 -0.036 154 HG11 VAL 20 HG11 VAL 20 0.209 3.792 1.120 155 HG12 VAL 20 HG12 VAL 20 0.591 2.070 1.095 156 HG13 VAL 20 HG13 VAL 20 1.602 3.182 2.017 157 HG21 VAL 20 HG21 VAL 20 1.733 3.081 -2.210 158 HG22 VAL 20 HG22 VAL 20 0.694 1.981 -1.306 159 HG23 VAL 20 HG23 VAL 20 0.272 3.689 -1.433 160 H ILE 21 H ILE 21 1.149 5.522 -2.031 161 HA ILE 21 HA ILE 21 -0.436 7.526 -0.580 162 HB ILE 21 HB ILE 21 -0.644 6.922 -3.509 163 HG12 ILE 21 HG12 ILE 21 1.501 8.682 -2.319 164 HG13 ILE 21 HG13 ILE 21 1.787 7.009 -2.819 165 HG21 ILE 21 HG21 ILE 21 -2.166 8.559 -2.565 166 HG22 ILE 21 HG22 ILE 21 -0.809 9.469 -1.903 167 HG23 ILE 21 HG23 ILE 21 -1.020 9.348 -3.650 168 HD11 ILE 21 HD11 ILE 21 2.502 8.596 -4.524 169 HD12 ILE 21 HD12 ILE 21 1.164 7.604 -5.107 170 HD13 ILE 21 HD13 ILE 21 0.873 9.268 -4.601 171 H VAL 22 H VAL 22 -2.207 6.720 0.355 172 HA VAL 22 HA VAL 22 -3.698 4.620 -1.063 173 HB VAL 22 HB VAL 22 -3.995 5.446 1.826 174 HG11 VAL 22 HG11 VAL 22 -5.987 4.449 0.846 175 HG12 VAL 22 HG12 VAL 22 -5.039 3.063 0.307 176 HG13 VAL 22 HG13 VAL 22 -5.257 3.366 2.031 177 HG21 VAL 22 HG21 VAL 22 -2.808 3.381 2.372 178 HG22 VAL 22 HG22 VAL 22 -2.510 3.101 0.657 179 HG23 VAL 22 HG23 VAL 22 -1.790 4.496 1.462 180 H THR 23 H THR 23 -5.385 5.311 -2.133 181 HA THR 23 HA THR 23 -6.642 7.805 -1.241 182 HB THR 23 HB THR 23 -5.534 7.061 -3.920 183 HG1 THR 23 HG1 THR 23 -4.380 8.836 -3.613 184 HG21 THR 23 HG21 THR 23 -7.862 7.701 -4.388 185 HG22 THR 23 HG22 THR 23 -6.738 8.936 -4.955 186 HG23 THR 23 HG23 THR 23 -7.641 9.184 -3.461 187 H HIS 24 H HIS 24 -8.793 7.984 -1.443 188 HA HIS 24 HA HIS 24 -10.309 5.951 -2.938 189 HB2 HIS 24 HB2 HIS 24 -10.749 5.217 -0.756 190 HB3 HIS 24 HB3 HIS 24 -10.606 6.832 -0.081 191 HD1 HIS 24 HD1 HIS 24 -12.737 7.495 0.907 192 HD2 HIS 24 HD2 HIS 24 -13.277 5.342 -2.623 193 HE1 HIS 24 HE1 HIS 24 -15.226 7.433 0.512 194 HE2 HIS 24 HE2 HIS 24 -15.522 6.251 -1.697 195 H SER 25 H SER 25 -11.116 7.124 -4.567 196 HA SER 25 HA SER 25 -11.954 8.807 -5.832 197 HB2 SER 25 HB2 SER 25 -13.791 8.698 -4.098 198 HB3 SER 25 HB3 SER 25 -12.993 10.034 -3.269 199 HG SER 25 HG SER 25 -14.682 10.704 -4.730 200 H ASN 26 H ASN 26 -10.534 10.038 -2.859 201 HA ASN 26 HA ASN 26 -8.627 11.707 -4.147 202 HB2 ASN 26 HB2 ASN 26 -9.457 13.851 -3.168 203 HB3 ASN 26 HB3 ASN 26 -10.496 13.235 -4.448 204 HD21 ASN 26 HD21 ASN 26 -10.219 14.002 -1.080 205 HD22 ASN 26 HD22 ASN 26 -11.879 13.715 -0.676 206 H GLU 27 H GLU 27 -10.474 10.766 -1.395 207 HA GLU 27 HA GLU 27 -9.055 11.738 0.740 208 HB2 GLU 27 HB2 GLU 27 -11.198 10.680 0.932 209 HB3 GLU 27 HB3 GLU 27 -10.547 9.147 0.372 210 HG2 GLU 27 HG2 GLU 27 -9.110 9.116 2.385 211 HG3 GLU 27 HG3 GLU 27 -9.966 10.552 2.948 212 H ARG 28 H ARG 28 -6.949 11.570 1.083 213 HA ARG 28 HA ARG 28 -5.583 9.080 0.348 214 HB2 ARG 28 HB2 ARG 28 -5.130 10.990 -1.199 215 HB3 ARG 28 HB3 ARG 28 -4.445 11.877 0.154 216 HG2 ARG 28 HG2 ARG 28 -3.347 9.188 -0.471 217 HG3 ARG 28 HG3 ARG 28 -2.941 10.532 -1.537 218 HD2 ARG 28 HD2 ARG 28 -2.535 10.525 1.454 219 HD3 ARG 28 HD3 ARG 28 -1.281 10.141 0.272 220 HE ARG 28 HE ARG 28 -2.525 12.696 -0.188 221 HH11 ARG 28 HH11 ARG 28 -0.047 11.037 1.647 222 HH12 ARG 28 HH12 ARG 28 0.910 12.457 1.878 223 HH21 ARG 28 HH21 ARG 28 -1.266 14.564 0.114 224 HH22 ARG 28 HH22 ARG 28 0.235 14.464 0.995 225 H TYR 29 H TYR 29 -4.458 8.126 1.844 226 HA TYR 29 HA TYR 29 -3.605 9.621 4.231 227 HB2 TYR 29 HB2 TYR 29 -4.726 6.816 4.061 228 HB3 TYR 29 HB3 TYR 29 -3.858 7.419 5.467 229 HD1 TYR 29 HD1 TYR 29 -6.945 7.680 3.501 230 HD2 TYR 29 HD2 TYR 29 -4.894 8.979 6.992 231 HE1 TYR 29 HE1 TYR 29 -9.047 8.580 4.392 232 HE2 TYR 29 HE2 TYR 29 -6.995 9.882 7.899 233 HH TYR 29 HH TYR 29 -10.058 9.206 6.446 234 H ASP 30 H ASP 30 -1.505 9.296 4.864 235 HA ASP 30 HA ASP 30 0.261 7.953 3.011 236 HB2 ASP 30 HB2 ASP 30 0.811 9.169 5.748 237 HB3 ASP 30 HB3 ASP 30 2.041 8.587 4.636 238 H LEU 31 H LEU 31 0.709 5.884 3.080 239 HA LEU 31 HA LEU 31 0.360 4.411 5.608 240 HB2 LEU 31 HB2 LEU 31 -1.165 4.150 3.299 241 HB3 LEU 31 HB3 LEU 31 -0.016 2.834 3.183 242 HG LEU 31 HG LEU 31 -2.237 2.262 4.245 243 HD11 LEU 31 HD11 LEU 31 0.264 1.882 5.922 244 HD12 LEU 31 HD12 LEU 31 -1.208 0.914 6.020 245 HD13 LEU 31 HD13 LEU 31 -0.226 0.882 4.555 246 HD21 LEU 31 HD21 LEU 31 -2.485 2.918 6.616 247 HD22 LEU 31 HD22 LEU 31 -1.084 3.977 6.462 248 HD23 LEU 31 HD23 LEU 31 -2.544 4.303 5.527 249 H LEU 32 H LEU 32 1.784 2.465 5.759 250 HA LEU 32 HA LEU 32 4.267 3.056 4.299 251 HB2 LEU 32 HB2 LEU 32 4.924 3.603 6.372 252 HB3 LEU 32 HB3 LEU 32 3.675 2.631 7.143 253 HG LEU 32 HG LEU 32 6.028 1.239 5.921 254 HD11 LEU 32 HD11 LEU 32 7.022 3.067 7.186 255 HD12 LEU 32 HD12 LEU 32 6.030 2.655 8.586 256 HD13 LEU 32 HD13 LEU 32 7.263 1.531 8.019 257 HD21 LEU 32 HD21 LEU 32 5.644 -0.289 7.790 258 HD22 LEU 32 HD22 LEU 32 4.369 0.763 8.404 259 HD23 LEU 32 HD23 LEU 32 4.166 -0.060 6.857 260 H VAL 33 H VAL 33 5.419 1.456 3.390 261 HA VAL 33 HA VAL 33 4.025 -0.848 2.554 262 HB VAL 33 HB VAL 33 6.613 0.396 1.922 263 HG11 VAL 33 HG11 VAL 33 7.525 -1.672 2.892 264 HG12 VAL 33 HG12 VAL 33 6.509 -2.616 1.803 265 HG13 VAL 33 HG13 VAL 33 7.776 -1.577 1.149 266 HG21 VAL 33 HG21 VAL 33 6.082 -0.545 -0.289 267 HG22 VAL 33 HG22 VAL 33 4.723 -1.414 0.424 268 HG23 VAL 33 HG23 VAL 33 4.731 0.350 0.409 269 H THR 34 H THR 34 4.591 -3.101 2.915 270 HA THR 34 HA THR 34 4.658 -3.323 5.789 271 HB THR 34 HB THR 34 4.074 -5.452 3.737 272 HG1 THR 34 HG1 THR 34 2.701 -3.531 3.650 273 HG21 THR 34 HG21 THR 34 3.386 -5.240 6.676 274 HG22 THR 34 HG22 THR 34 4.549 -6.354 5.957 275 HG23 THR 34 HG23 THR 34 2.832 -6.511 5.587 276 HA PRO 35 HA PRO 35 8.857 -4.607 5.836 277 HB2 PRO 35 HB2 PRO 35 8.637 -4.950 8.672 278 HB3 PRO 35 HB3 PRO 35 9.397 -3.634 7.787 279 HG2 PRO 35 HG2 PRO 35 7.097 -3.403 9.300 280 HG3 PRO 35 HG3 PRO 35 7.598 -2.282 8.026 281 HD2 PRO 35 HD2 PRO 35 5.567 -4.452 7.955 282 HD3 PRO 35 HD3 PRO 35 5.589 -2.888 7.114 283 H GLN 36 H GLN 36 10.124 -6.368 6.523 284 HA GLN 36 HA GLN 36 10.641 -8.494 7.128 285 HB2 GLN 36 HB2 GLN 36 7.684 -8.882 7.606 286 HB3 GLN 36 HB3 GLN 36 8.897 -10.133 7.843 287 HG2 GLN 36 HG2 GLN 36 9.987 -8.754 9.542 288 HG3 GLN 36 HG3 GLN 36 8.773 -7.500 9.300 289 HE21 GLN 36 HE21 GLN 36 6.633 -9.461 8.944 290 HE22 GLN 36 HE22 GLN 36 6.274 -10.062 10.521 291 H GLN 37 H GLN 37 9.508 -7.346 4.504 292 HA GLN 37 HA GLN 37 9.360 -9.905 3.083 293 HB2 GLN 37 HB2 GLN 37 8.178 -7.427 2.504 294 HB3 GLN 37 HB3 GLN 37 9.555 -7.522 1.413 295 HG2 GLN 37 HG2 GLN 37 7.268 -9.450 1.617 296 HG3 GLN 37 HG3 GLN 37 7.707 -8.415 0.255 297 HE21 GLN 37 HE21 GLN 37 8.442 -11.337 1.995 298 HE22 GLN 37 HE22 GLN 37 9.509 -12.013 0.816 299 H GLY 38 H GLY 38 10.778 -7.139 1.678 300 HA2 GLY 38 HA2 GLY 38 13.514 -7.857 2.384 301 HA3 GLY 38 HA3 GLY 38 13.093 -7.833 0.666 302 H ASN 39 H ASN 39 11.501 -5.867 2.933 303 HA ASN 39 HA ASN 39 10.881 -3.739 2.937 304 HB2 ASN 39 HB2 ASN 39 12.648 -1.988 3.018 305 HB3 ASN 39 HB3 ASN 39 12.839 -3.316 4.166 306 HD21 ASN 39 HD21 ASN 39 14.654 -4.478 4.160 307 HD22 ASN 39 HD22 ASN 39 15.986 -4.202 3.085 308 H SER 40 H SER 40 12.881 -4.414 0.153 309 HA SER 40 HA SER 40 12.027 -1.994 -1.170 310 HB2 SER 40 HB2 SER 40 13.649 -4.315 -2.215 311 HB3 SER 40 HB3 SER 40 13.474 -2.728 -2.979 312 HG SER 40 HG SER 40 14.342 -2.674 -0.348 313 H GLU 41 H GLU 41 10.869 -5.170 -0.831 314 HA GLU 41 HA GLU 41 9.024 -4.745 -3.029 315 HB2 GLU 41 HB2 GLU 41 9.306 -7.084 -3.828 316 HB3 GLU 41 HB3 GLU 41 10.722 -6.085 -4.105 317 HG2 GLU 41 HG2 GLU 41 11.753 -7.086 -2.081 318 HG3 GLU 41 HG3 GLU 41 10.368 -8.171 -1.970 319 HA PRO 42 HA PRO 42 6.948 -5.580 0.812 320 HB2 PRO 42 HB2 PRO 42 4.616 -4.811 -0.842 321 HB3 PRO 42 HB3 PRO 42 5.184 -4.139 0.689 322 HG2 PRO 42 HG2 PRO 42 5.503 -2.793 -1.579 323 HG3 PRO 42 HG3 PRO 42 6.776 -2.799 -0.342 324 HD2 PRO 42 HD2 PRO 42 6.598 -4.375 -2.882 325 HD3 PRO 42 HD3 PRO 42 7.990 -3.520 -2.182 326 H VAL 43 H VAL 43 5.085 -6.883 1.507 327 HA VAL 43 HA VAL 43 5.126 -9.434 0.180 328 HB VAL 43 HB VAL 43 3.633 -10.181 1.998 329 HG11 VAL 43 HG11 VAL 43 5.251 -9.954 3.834 330 HG12 VAL 43 HG12 VAL 43 6.013 -10.388 2.303 331 HG13 VAL 43 HG13 VAL 43 6.108 -8.730 2.897 332 HG21 VAL 43 HG21 VAL 43 3.901 -7.343 2.968 333 HG22 VAL 43 HG22 VAL 43 2.423 -8.134 2.423 334 HG23 VAL 43 HG23 VAL 43 3.218 -8.674 3.902 335 H VAL 44 H VAL 44 3.146 -10.635 -0.351 336 HA VAL 44 HA VAL 44 1.362 -9.374 -2.058 337 HB VAL 44 HB VAL 44 -0.178 -11.358 -1.593 338 HG11 VAL 44 HG11 VAL 44 1.404 -11.308 -3.445 339 HG12 VAL 44 HG12 VAL 44 2.683 -11.895 -2.382 340 HG13 VAL 44 HG13 VAL 44 1.300 -12.926 -2.753 341 HG21 VAL 44 HG21 VAL 44 2.178 -12.236 0.078 342 HG22 VAL 44 HG22 VAL 44 0.580 -11.819 0.695 343 HG23 VAL 44 HG23 VAL 44 0.783 -13.227 -0.350 344 H GLN 45 H GLN 45 1.321 -9.672 1.361 345 HA GLN 45 HA GLN 45 -1.391 -8.983 1.830 346 HB2 GLN 45 HB2 GLN 45 0.999 -8.706 3.658 347 HB3 GLN 45 HB3 GLN 45 -0.685 -8.578 4.150 348 HG2 GLN 45 HG2 GLN 45 -1.023 -10.923 3.391 349 HG3 GLN 45 HG3 GLN 45 0.711 -11.022 3.089 350 HE21 GLN 45 HE21 GLN 45 0.981 -12.667 4.594 351 HE22 GLN 45 HE22 GLN 45 0.900 -12.372 6.298 352 H ASP 46 H ASP 46 1.497 -7.147 1.140 353 HA ASP 46 HA ASP 46 0.949 -4.885 2.734 354 HB2 ASP 46 HB2 ASP 46 3.168 -5.064 2.113 355 HB3 ASP 46 HB3 ASP 46 2.798 -5.454 0.441 356 H LEU 47 H LEU 47 0.160 -5.636 -0.603 357 HA LEU 47 HA LEU 47 -0.666 -3.077 -1.367 358 HB2 LEU 47 HB2 LEU 47 -1.913 -4.291 -3.161 359 HB3 LEU 47 HB3 LEU 47 -0.237 -4.767 -3.006 360 HG LEU 47 HG LEU 47 -1.462 -6.601 -1.393 361 HD11 LEU 47 HD11 LEU 47 -3.364 -7.482 -2.605 362 HD12 LEU 47 HD12 LEU 47 -3.674 -5.839 -2.043 363 HD13 LEU 47 HD13 LEU 47 -3.283 -6.132 -3.737 364 HD21 LEU 47 HD21 LEU 47 -0.953 -6.865 -4.348 365 HD22 LEU 47 HD22 LEU 47 0.251 -7.052 -3.072 366 HD23 LEU 47 HD23 LEU 47 -1.093 -8.186 -3.189 367 H ALA 48 H ALA 48 -2.469 -5.774 0.041 368 HA ALA 48 HA ALA 48 -4.964 -4.427 0.206 369 HB1 ALA 48 HB1 ALA 48 -5.596 -6.242 1.735 370 HB2 ALA 48 HB2 ALA 48 -4.818 -6.858 0.277 371 HB3 ALA 48 HB3 ALA 48 -3.915 -6.775 1.789 372 H GLN 49 H GLN 49 -2.195 -4.766 2.298 373 HA GLN 49 HA GLN 49 -3.326 -3.942 4.715 374 HB2 GLN 49 HB2 GLN 49 -1.178 -5.052 4.659 375 HB3 GLN 49 HB3 GLN 49 -0.481 -3.769 3.710 376 HG2 GLN 49 HG2 GLN 49 0.312 -3.426 5.857 377 HG3 GLN 49 HG3 GLN 49 -0.951 -2.230 5.625 378 HE21 GLN 49 HE21 GLN 49 -2.878 -2.405 6.736 379 HE22 GLN 49 HE22 GLN 49 -3.065 -3.437 8.109 380 H LEU 50 H LEU 50 -1.555 -2.204 2.266 381 HA LEU 50 HA LEU 50 -1.331 0.235 3.602 382 HB2 LEU 50 HB2 LEU 50 -1.590 -0.334 0.654 383 HB3 LEU 50 HB3 LEU 50 -0.986 1.161 1.345 384 HG LEU 50 HG LEU 50 0.355 -1.527 1.674 385 HD11 LEU 50 HD11 LEU 50 1.110 0.824 -0.040 386 HD12 LEU 50 HD12 LEU 50 2.053 -0.649 0.182 387 HD13 LEU 50 HD13 LEU 50 0.483 -0.719 -0.620 388 HD21 LEU 50 HD21 LEU 50 2.196 -0.246 2.600 389 HD22 LEU 50 HD22 LEU 50 1.235 1.228 2.475 390 HD23 LEU 50 HD23 LEU 50 0.729 -0.064 3.563 391 H VAL 51 H VAL 51 -3.717 -0.715 1.152 392 HA VAL 51 HA VAL 51 -5.361 1.596 1.334 393 HB VAL 51 HB VAL 51 -5.249 -0.824 -0.080 394 HG11 VAL 51 HG11 VAL 51 -7.049 -1.676 1.285 395 HG12 VAL 51 HG12 VAL 51 -7.992 -0.219 0.970 396 HG13 VAL 51 HG13 VAL 51 -7.618 -1.330 -0.348 397 HG21 VAL 51 HG21 VAL 51 -5.245 1.395 -1.010 398 HG22 VAL 51 HG22 VAL 51 -6.586 0.458 -1.670 399 HG23 VAL 51 HG23 VAL 51 -6.884 1.665 -0.418 400 H GLU 52 H GLU 52 -5.312 -1.468 3.099 401 HA GLU 52 HA GLU 52 -7.771 -1.132 4.475 402 HB2 GLU 52 HB2 GLU 52 -6.926 -3.332 4.382 403 HB3 GLU 52 HB3 GLU 52 -5.326 -2.839 4.914 404 HG2 GLU 52 HG2 GLU 52 -6.324 -2.306 7.144 405 HG3 GLU 52 HG3 GLU 52 -7.826 -3.033 6.577 406 H GLU 53 H GLU 53 -4.389 -0.491 5.364 407 HA GLU 53 HA GLU 53 -5.020 0.111 8.073 408 HB2 GLU 53 HB2 GLU 53 -2.850 -0.820 7.440 409 HB3 GLU 53 HB3 GLU 53 -2.486 0.630 6.514 410 HG2 GLU 53 HG2 GLU 53 -2.447 1.960 8.510 411 HG3 GLU 53 HG3 GLU 53 -2.976 0.590 9.484 412 H ALA 54 H ALA 54 -4.981 1.950 5.169 413 HA ALA 54 HA ALA 54 -4.326 4.480 6.058 414 HB1 ALA 54 HB1 ALA 54 -6.488 3.787 4.078 415 HB2 ALA 54 HB2 ALA 54 -5.671 5.342 4.228 416 HB3 ALA 54 HB3 ALA 54 -4.766 3.917 3.719 417 H THR 55 H THR 55 -7.599 2.997 6.125 418 HA THR 55 HA THR 55 -8.233 4.992 8.201 419 HB THR 55 HB THR 55 -10.264 3.495 6.543 420 HG1 THR 55 HG1 THR 55 -10.113 6.091 5.931 421 HG21 THR 55 HG21 THR 55 -11.777 5.267 7.301 422 HG22 THR 55 HG22 THR 55 -10.470 5.995 8.234 423 HG23 THR 55 HG23 THR 55 -11.090 4.404 8.676 424 H GLY 56 H GLY 56 -7.497 1.757 7.780 425 HA2 GLY 56 HA2 GLY 56 -7.468 0.106 9.450 426 HA3 GLY 56 HA3 GLY 56 -8.604 1.066 10.391 427 H VAL 57 H VAL 57 -9.196 0.543 7.068 428 HA VAL 57 HA VAL 57 -11.721 -0.720 7.731 429 HB VAL 57 HB VAL 57 -12.160 1.007 6.295 430 HG11 VAL 57 HG11 VAL 57 -9.634 0.366 4.780 431 HG12 VAL 57 HG12 VAL 57 -10.746 1.686 4.411 432 HG13 VAL 57 HG13 VAL 57 -9.861 1.680 5.937 433 HG21 VAL 57 HG21 VAL 57 -13.097 -0.992 5.277 434 HG22 VAL 57 HG22 VAL 57 -12.610 0.166 4.040 435 HG23 VAL 57 HG23 VAL 57 -11.607 -1.247 4.367 436 HA PRO 58 HA PRO 58 -10.429 -4.816 6.653 437 HB2 PRO 58 HB2 PRO 58 -12.862 -5.890 6.158 438 HB3 PRO 58 HB3 PRO 58 -12.294 -5.519 7.794 439 HG2 PRO 58 HG2 PRO 58 -14.020 -3.849 5.980 440 HG3 PRO 58 HG3 PRO 58 -14.307 -4.287 7.682 441 HD2 PRO 58 HD2 PRO 58 -13.292 -1.911 7.063 442 HD3 PRO 58 HD3 PRO 58 -12.652 -2.819 8.452 443 H LEU 59 H LEU 59 -10.271 -6.251 4.895 444 HA LEU 59 HA LEU 59 -9.905 -5.165 2.410 445 HB2 LEU 59 HB2 LEU 59 -10.397 -7.985 3.273 446 HB3 LEU 59 HB3 LEU 59 -10.225 -7.603 1.573 447 HG LEU 59 HG LEU 59 -7.978 -6.641 2.066 448 HD11 LEU 59 HD11 LEU 59 -8.418 -7.857 4.786 449 HD12 LEU 59 HD12 LEU 59 -6.901 -7.193 4.181 450 HD13 LEU 59 HD13 LEU 59 -8.291 -6.135 4.427 451 HD21 LEU 59 HD21 LEU 59 -6.873 -8.804 2.328 452 HD22 LEU 59 HD22 LEU 59 -8.399 -9.521 2.847 453 HD23 LEU 59 HD23 LEU 59 -8.228 -8.901 1.204 454 HA PRO 60 HA PRO 60 -14.153 -6.888 0.854 455 HB2 PRO 60 HB2 PRO 60 -15.945 -6.690 3.167 456 HB3 PRO 60 HB3 PRO 60 -15.711 -8.026 2.035 457 HG2 PRO 60 HG2 PRO 60 -14.844 -8.172 4.548 458 HG3 PRO 60 HG3 PRO 60 -13.923 -8.893 3.218 459 HD2 PRO 60 HD2 PRO 60 -13.493 -6.278 4.629 460 HD3 PRO 60 HD3 PRO 60 -12.298 -7.517 4.197 461 H PHE 61 H PHE 61 -13.722 -4.236 2.998 462 HA PHE 61 HA PHE 61 -16.087 -2.845 2.023 463 HB2 PHE 61 HB2 PHE 61 -14.213 -2.506 4.269 464 HB3 PHE 61 HB3 PHE 61 -14.842 -1.017 3.570 465 HD1 PHE 61 HD1 PHE 61 -15.686 -4.108 5.351 466 HD2 PHE 61 HD2 PHE 61 -17.175 -0.450 3.771 467 HE1 PHE 61 HE1 PHE 61 -17.769 -4.415 6.621 468 HE2 PHE 61 HE2 PHE 61 -19.261 -0.751 5.041 469 HZ PHE 61 HZ PHE 61 -19.560 -2.735 6.467 470 H GLN 62 H GLN 62 -12.749 -3.041 1.320 471 HA GLN 62 HA GLN 62 -12.991 -0.624 -0.331 472 HB2 GLN 62 HB2 GLN 62 -10.550 -0.411 -0.222 473 HB3 GLN 62 HB3 GLN 62 -11.274 -0.220 1.345 474 HG2 GLN 62 HG2 GLN 62 -10.683 -2.948 1.085 475 HG3 GLN 62 HG3 GLN 62 -9.297 -2.067 0.437 476 HE21 GLN 62 HE21 GLN 62 -9.464 -3.659 2.821 477 HE22 GLN 62 HE22 GLN 62 -9.068 -2.614 4.145 478 H LYS 63 H LYS 63 -12.423 -0.758 -2.453 479 HA LYS 63 HA LYS 63 -11.424 -3.356 -3.386 480 HB2 LYS 63 HB2 LYS 63 -13.493 -2.511 -4.487 481 HB3 LYS 63 HB3 LYS 63 -12.612 -1.073 -4.986 482 HG2 LYS 63 HG2 LYS 63 -11.088 -2.496 -6.302 483 HG3 LYS 63 HG3 LYS 63 -12.065 -3.899 -5.866 484 HD2 LYS 63 HD2 LYS 63 -13.979 -2.987 -6.999 485 HD3 LYS 63 HD3 LYS 63 -13.132 -1.467 -7.296 486 HE2 LYS 63 HE2 LYS 63 -13.146 -2.796 -9.311 487 HE3 LYS 63 HE3 LYS 63 -11.502 -2.678 -8.687 488 HZ1 LYS 63 HZ1 LYS 63 -13.336 -4.998 -8.462 489 HZ2 LYS 63 HZ2 LYS 63 -11.848 -4.893 -7.660 490 HZ3 LYS 63 HZ3 LYS 63 -11.895 -4.913 -9.352 491 H LEU 64 H LEU 64 -9.258 -3.050 -2.813 492 HA LEU 64 HA LEU 64 -7.905 -0.625 -3.518 493 HB2 LEU 64 HB2 LEU 64 -7.137 -1.674 -1.524 494 HB3 LEU 64 HB3 LEU 64 -7.052 -3.242 -2.307 495 HG LEU 64 HG LEU 64 -4.875 -1.920 -1.693 496 HD11 LEU 64 HD11 LEU 64 -4.876 -4.051 -2.869 497 HD12 LEU 64 HD12 LEU 64 -5.180 -3.217 -4.393 498 HD13 LEU 64 HD13 LEU 64 -3.663 -2.954 -3.534 499 HD21 LEU 64 HD21 LEU 64 -4.004 -0.560 -3.521 500 HD22 LEU 64 HD22 LEU 64 -5.553 -0.690 -4.355 501 HD23 LEU 64 HD23 LEU 64 -5.452 0.151 -2.809 502 H ILE 65 H ILE 65 -7.358 -0.170 -5.396 503 HA ILE 65 HA ILE 65 -6.281 -2.211 -7.237 504 HB ILE 65 HB ILE 65 -7.825 0.304 -7.847 505 HG12 ILE 65 HG12 ILE 65 -9.264 -1.477 -6.920 506 HG13 ILE 65 HG13 ILE 65 -9.655 -1.146 -8.602 507 HG21 ILE 65 HG21 ILE 65 -7.814 -0.490 -10.185 508 HG22 ILE 65 HG22 ILE 65 -6.189 -0.189 -9.569 509 HG23 ILE 65 HG23 ILE 65 -6.790 -1.842 -9.705 510 HD11 ILE 65 HD11 ILE 65 -8.023 -3.459 -7.575 511 HD12 ILE 65 HD12 ILE 65 -9.690 -3.523 -8.149 512 HD13 ILE 65 HD13 ILE 65 -8.386 -3.132 -9.270 513 H PHE 66 H PHE 66 -4.134 -1.792 -7.022 514 HA PHE 66 HA PHE 66 -3.212 0.415 -8.455 515 HB2 PHE 66 HB2 PHE 66 -3.354 0.985 -5.724 516 HB3 PHE 66 HB3 PHE 66 -1.647 0.754 -6.120 517 HD1 PHE 66 HD1 PHE 66 -1.067 1.781 -8.568 518 HD2 PHE 66 HD2 PHE 66 -4.104 3.167 -5.931 519 HE1 PHE 66 HE1 PHE 66 -1.020 3.973 -9.676 520 HE2 PHE 66 HE2 PHE 66 -4.059 5.367 -7.033 521 HZ PHE 66 HZ PHE 66 -2.518 5.773 -8.910 522 H LYS 67 H LYS 67 -1.104 0.162 -9.188 523 HA LYS 67 HA LYS 67 0.853 -0.849 -9.660 524 HB2 LYS 67 HB2 LYS 67 1.649 -2.603 -7.726 525 HB3 LYS 67 HB3 LYS 67 1.981 -0.887 -7.712 526 HG2 LYS 67 HG2 LYS 67 0.246 -0.496 -6.107 527 HG3 LYS 67 HG3 LYS 67 -0.359 -2.172 -6.220 528 HD2 LYS 67 HD2 LYS 67 1.995 -2.864 -5.465 529 HD3 LYS 67 HD3 LYS 67 2.302 -1.165 -5.118 530 HE2 LYS 67 HE2 LYS 67 0.110 -1.369 -3.703 531 HE3 LYS 67 HE3 LYS 67 0.472 -3.093 -3.752 532 HZ1 LYS 67 HZ1 LYS 67 2.143 -0.931 -2.600 533 HZ2 LYS 67 HZ2 LYS 67 2.745 -2.480 -2.896 534 HZ3 LYS 67 HZ3 LYS 67 1.479 -2.265 -1.797 535 H GLY 68 H GLY 68 -1.577 -2.011 -10.537 536 HA2 GLY 68 HA2 GLY 68 -2.365 -3.903 -11.559 537 HA3 GLY 68 HA3 GLY 68 -0.719 -4.527 -11.495 538 H LYS 69 H LYS 69 -1.887 -3.561 -8.540 539 HA LYS 69 HA LYS 69 -2.501 -6.322 -7.764 540 HB2 LYS 69 HB2 LYS 69 -1.255 -4.032 -6.304 541 HB3 LYS 69 HB3 LYS 69 -2.168 -5.225 -5.394 542 HG2 LYS 69 HG2 LYS 69 -0.061 -6.064 -5.237 543 HG3 LYS 69 HG3 LYS 69 -0.659 -6.922 -6.656 544 HD2 LYS 69 HD2 LYS 69 0.456 -5.329 -8.106 545 HD3 LYS 69 HD3 LYS 69 1.027 -4.432 -6.694 546 HE2 LYS 69 HE2 LYS 69 2.814 -5.816 -7.396 547 HE3 LYS 69 HE3 LYS 69 2.144 -6.531 -5.931 548 HZ1 LYS 69 HZ1 LYS 69 0.875 -8.056 -7.348 549 HZ2 LYS 69 HZ2 LYS 69 2.550 -8.235 -7.527 550 HZ3 LYS 69 HZ3 LYS 69 1.651 -7.422 -8.717 551 H SER 70 H SER 70 -4.391 -6.789 -6.974 552 HA SER 70 HA SER 70 -6.038 -4.588 -5.992 553 HB2 SER 70 HB2 SER 70 -8.019 -6.117 -6.482 554 HB3 SER 70 HB3 SER 70 -7.170 -5.517 -7.908 555 HG SER 70 HG SER 70 -6.569 -8.028 -6.717 556 H LEU 71 H LEU 71 -7.095 -4.988 -3.947 557 HA LEU 71 HA LEU 71 -5.178 -6.316 -2.329 558 HB2 LEU 71 HB2 LEU 71 -6.156 -5.414 -0.468 559 HB3 LEU 71 HB3 LEU 71 -6.630 -4.285 -1.734 560 HG LEU 71 HG LEU 71 -8.415 -6.495 -0.725 561 HD11 LEU 71 HD11 LEU 71 -8.307 -3.605 0.105 562 HD12 LEU 71 HD12 LEU 71 -9.540 -4.771 0.583 563 HD13 LEU 71 HD13 LEU 71 -7.868 -4.993 1.099 564 HD21 LEU 71 HD21 LEU 71 -10.188 -5.186 -1.757 565 HD22 LEU 71 HD22 LEU 71 -9.008 -3.990 -2.296 566 HD23 LEU 71 HD23 LEU 71 -8.965 -5.629 -2.947 567 H LYS 72 H LYS 72 -4.992 -8.222 -1.584 568 HA LYS 72 HA LYS 72 -7.277 -9.663 -0.592 569 HB2 LYS 72 HB2 LYS 72 -5.479 -10.776 -2.748 570 HB3 LYS 72 HB3 LYS 72 -6.290 -11.839 -1.609 571 HG2 LYS 72 HG2 LYS 72 -7.615 -9.935 -3.530 572 HG3 LYS 72 HG3 LYS 72 -7.532 -11.691 -3.678 573 HD2 LYS 72 HD2 LYS 72 -8.867 -11.966 -1.682 574 HD3 LYS 72 HD3 LYS 72 -8.857 -10.225 -1.397 575 HE2 LYS 72 HE2 LYS 72 -10.103 -11.634 -3.754 576 HE3 LYS 72 HE3 LYS 72 -10.971 -10.947 -2.382 577 HZ1 LYS 72 HZ1 LYS 72 -10.095 -8.757 -3.018 578 HZ2 LYS 72 HZ2 LYS 72 -11.039 -9.442 -4.245 579 HZ3 LYS 72 HZ3 LYS 72 -9.350 -9.449 -4.372 580 H GLU 73 H GLU 73 -6.181 -11.889 0.379 581 HA GLU 73 HA GLU 73 -4.286 -10.887 2.289 582 HB2 GLU 73 HB2 GLU 73 -4.384 -13.100 3.312 583 HB3 GLU 73 HB3 GLU 73 -6.000 -12.502 2.986 584 HG2 GLU 73 HG2 GLU 73 -4.522 -14.515 1.303 585 HG3 GLU 73 HG3 GLU 73 -5.740 -14.899 2.514 586 H MET 74 H MET 74 -4.218 -13.100 -0.445 587 HA MET 74 HA MET 74 -1.332 -12.656 -0.631 588 HB2 MET 74 HB2 MET 74 -1.015 -15.058 -1.286 589 HB3 MET 74 HB3 MET 74 -1.429 -14.812 0.403 590 HG2 MET 74 HG2 MET 74 -3.732 -15.451 -0.055 591 HG3 MET 74 HG3 MET 74 -3.341 -15.668 -1.761 592 HE1 MET 74 HE1 MET 74 -3.876 -19.346 -0.546 593 HE2 MET 74 HE2 MET 74 -4.763 -17.914 -0.024 594 HE3 MET 74 HE3 MET 74 -4.339 -18.115 -1.722 595 H GLU 75 H GLU 75 -1.871 -11.173 -2.262 596 HA GLU 75 HA GLU 75 -3.437 -12.120 -4.490 597 HB2 GLU 75 HB2 GLU 75 -3.831 -9.898 -3.481 598 HB3 GLU 75 HB3 GLU 75 -2.233 -9.402 -4.012 599 HG2 GLU 75 HG2 GLU 75 -3.959 -8.550 -5.490 600 HG3 GLU 75 HG3 GLU 75 -2.899 -9.679 -6.337 601 H THR 76 H THR 76 -1.171 -9.773 -5.434 602 HA THR 76 HA THR 76 -0.024 -11.830 -7.201 603 HB THR 76 HB THR 76 0.436 -9.829 -8.734 604 HG1 THR 76 HG1 THR 76 -1.612 -8.367 -7.996 605 HG21 THR 76 HG21 THR 76 -2.411 -10.648 -8.137 606 HG22 THR 76 HG22 THR 76 -1.277 -11.526 -9.165 607 HG23 THR 76 HG23 THR 76 -1.839 -9.923 -9.639 608 HA PRO 77 HA PRO 77 4.281 -11.954 -6.578 609 HB2 PRO 77 HB2 PRO 77 4.411 -9.887 -8.739 610 HB3 PRO 77 HB3 PRO 77 5.410 -11.326 -8.502 611 HG2 PRO 77 HG2 PRO 77 3.188 -11.198 -10.152 612 HG3 PRO 77 HG3 PRO 77 3.882 -12.687 -9.497 613 HD2 PRO 77 HD2 PRO 77 1.319 -11.597 -8.934 614 HD3 PRO 77 HD3 PRO 77 2.093 -12.982 -8.135 615 H LEU 78 H LEU 78 5.478 -11.164 -5.102 616 HA LEU 78 HA LEU 78 4.976 -8.736 -3.763 617 HB2 LEU 78 HB2 LEU 78 7.176 -10.761 -3.469 618 HB3 LEU 78 HB3 LEU 78 6.945 -9.409 -2.381 619 HG LEU 78 HG LEU 78 4.580 -10.352 -2.076 620 HD11 LEU 78 HD11 LEU 78 4.406 -12.785 -2.345 621 HD12 LEU 78 HD12 LEU 78 4.618 -11.963 -3.891 622 HD13 LEU 78 HD13 LEU 78 5.979 -12.798 -3.142 623 HD21 LEU 78 HD21 LEU 78 5.355 -11.852 -0.298 624 HD22 LEU 78 HD22 LEU 78 6.976 -11.822 -0.993 625 HD23 LEU 78 HD23 LEU 78 6.274 -10.346 -0.332 626 H SER 79 H SER 79 7.578 -9.706 -5.964 627 HA SER 79 HA SER 79 9.202 -7.468 -5.636 628 HB2 SER 79 HB2 SER 79 8.692 -9.018 -8.188 629 HB3 SER 79 HB3 SER 79 10.068 -7.954 -7.890 630 HG SER 79 HG SER 79 10.340 -9.436 -5.933 631 H ALA 80 H ALA 80 6.323 -7.930 -7.543 632 HA ALA 80 HA ALA 80 6.383 -5.330 -8.756 633 HB1 ALA 80 HB1 ALA 80 5.371 -7.260 -9.891 634 HB2 ALA 80 HB2 ALA 80 4.142 -7.344 -8.630 635 HB3 ALA 80 HB3 ALA 80 4.224 -5.936 -9.688 636 H LEU 81 H LEU 81 5.924 -6.124 -5.635 637 HA LEU 81 HA LEU 81 3.286 -5.206 -5.102 638 HB2 LEU 81 HB2 LEU 81 5.063 -6.768 -3.779 639 HB3 LEU 81 HB3 LEU 81 5.114 -5.320 -2.806 640 HG LEU 81 HG LEU 81 3.523 -6.722 -1.788 641 HD11 LEU 81 HD11 LEU 81 1.998 -4.834 -3.573 642 HD12 LEU 81 HD12 LEU 81 1.359 -5.626 -2.131 643 HD13 LEU 81 HD13 LEU 81 2.685 -4.471 -1.989 644 HD21 LEU 81 HD21 LEU 81 3.340 -8.340 -3.594 645 HD22 LEU 81 HD22 LEU 81 1.744 -7.861 -3.015 646 HD23 LEU 81 HD23 LEU 81 2.364 -7.209 -4.531 647 H GLY 82 H GLY 82 5.325 -3.151 -6.271 648 HA2 GLY 82 HA2 GLY 82 5.013 -0.765 -5.892 649 HA3 GLY 82 HA3 GLY 82 4.686 -1.146 -4.222 650 H MET 83 H MET 83 7.503 -2.326 -6.098 651 HA MET 83 HA MET 83 9.241 -1.441 -4.029 652 HB2 MET 83 HB2 MET 83 11.072 -1.983 -5.653 653 HB3 MET 83 HB3 MET 83 9.940 -3.296 -5.382 654 HG2 MET 83 HG2 MET 83 8.825 -2.763 -7.492 655 HG3 MET 83 HG3 MET 83 9.971 -1.452 -7.760 656 HE1 MET 83 HE1 MET 83 9.440 -3.694 -9.913 657 HE2 MET 83 HE2 MET 83 10.634 -2.416 -10.143 658 HE3 MET 83 HE3 MET 83 11.079 -4.101 -10.419 659 H GLN 84 H GLN 84 8.468 0.625 -3.847 660 HA GLN 84 HA GLN 84 10.408 2.500 -4.639 661 HB2 GLN 84 HB2 GLN 84 8.604 4.220 -5.332 662 HB3 GLN 84 HB3 GLN 84 9.129 3.077 -6.550 663 HG2 GLN 84 HG2 GLN 84 7.127 1.699 -5.997 664 HG3 GLN 84 HG3 GLN 84 6.595 3.008 -4.939 665 HE21 GLN 84 HE21 GLN 84 6.012 4.981 -5.852 666 HE22 GLN 84 HE22 GLN 84 5.585 5.126 -7.521 667 H ASN 85 H ASN 85 9.494 4.688 -3.214 668 HA ASN 85 HA ASN 85 8.987 3.570 -0.656 669 HB2 ASN 85 HB2 ASN 85 8.276 5.852 0.074 670 HB3 ASN 85 HB3 ASN 85 9.824 5.873 -0.764 671 HD21 ASN 85 HD21 ASN 85 7.774 7.952 -0.321 672 HD22 ASN 85 HD22 ASN 85 7.389 8.560 -1.896 673 H GLY 86 H GLY 86 7.309 2.297 -0.400 674 HA2 GLY 86 HA2 GLY 86 5.233 1.502 -0.196 675 HA3 GLY 86 HA3 GLY 86 4.705 3.172 -0.049 676 H CYS 87 H CYS 87 5.653 3.600 -2.941 677 HA CYS 87 HA CYS 87 4.697 3.720 -4.994 678 HB2 CYS 87 HB2 CYS 87 4.869 1.179 -4.728 679 HB3 CYS 87 HB3 CYS 87 3.145 1.241 -4.373 680 HG CYS 87 HG CYS 87 4.625 1.140 -7.287 681 H ARG 88 H ARG 88 1.953 2.540 -5.487 682 HA ARG 88 HA ARG 88 0.350 4.408 -3.873 683 HB2 ARG 88 HB2 ARG 88 -0.247 3.747 -6.753 684 HB3 ARG 88 HB3 ARG 88 -1.007 4.969 -5.754 685 HG2 ARG 88 HG2 ARG 88 0.317 6.277 -7.056 686 HG3 ARG 88 HG3 ARG 88 1.422 5.977 -5.712 687 HD2 ARG 88 HD2 ARG 88 2.750 4.561 -6.939 688 HD3 ARG 88 HD3 ARG 88 1.437 4.082 -8.015 689 HE ARG 88 HE ARG 88 1.811 6.706 -8.596 690 HH11 ARG 88 HH11 ARG 88 3.945 3.923 -8.516 691 HH12 ARG 88 HH12 ARG 88 4.983 4.533 -9.764 692 HH21 ARG 88 HH21 ARG 88 3.160 7.490 -10.245 693 HH22 ARG 88 HH22 ARG 88 4.538 6.554 -10.758 694 H VAL 89 H VAL 89 -1.727 3.690 -3.372 695 HA VAL 89 HA VAL 89 -2.805 1.230 -4.456 696 HB VAL 89 HB VAL 89 -3.409 0.432 -2.102 697 HG11 VAL 89 HG11 VAL 89 -0.528 0.247 -2.957 698 HG12 VAL 89 HG12 VAL 89 -1.333 -0.826 -1.812 699 HG13 VAL 89 HG13 VAL 89 -1.849 -0.791 -3.497 700 HG21 VAL 89 HG21 VAL 89 -1.884 1.023 -0.302 701 HG22 VAL 89 HG22 VAL 89 -1.054 2.159 -1.364 702 HG23 VAL 89 HG23 VAL 89 -2.734 2.445 -0.905 703 H MET 90 H MET 90 -4.777 1.951 -5.082 704 HA MET 90 HA MET 90 -6.118 3.544 -3.007 705 HB2 MET 90 HB2 MET 90 -6.747 5.203 -4.268 706 HB3 MET 90 HB3 MET 90 -5.404 4.707 -5.289 707 HG2 MET 90 HG2 MET 90 -6.959 3.445 -6.703 708 HG3 MET 90 HG3 MET 90 -8.290 3.948 -5.655 709 HE1 MET 90 HE1 MET 90 -8.341 4.376 -8.812 710 HE2 MET 90 HE2 MET 90 -9.637 4.868 -7.723 711 HE3 MET 90 HE3 MET 90 -8.987 6.015 -8.894 712 H LEU 91 H LEU 91 -8.036 3.107 -2.429 713 HA LEU 91 HA LEU 91 -9.251 0.759 -3.646 714 HB2 LEU 91 HB2 LEU 91 -10.262 0.248 -1.532 715 HB3 LEU 91 HB3 LEU 91 -8.532 0.364 -1.368 716 HG LEU 91 HG LEU 91 -9.346 1.290 0.594 717 HD11 LEU 91 HD11 LEU 91 -8.899 3.688 0.545 718 HD12 LEU 91 HD12 LEU 91 -7.684 2.754 -0.329 719 HD13 LEU 91 HD13 LEU 91 -8.916 3.647 -1.218 720 HD21 LEU 91 HD21 LEU 91 -11.169 2.912 0.760 721 HD22 LEU 91 HD22 LEU 91 -11.398 2.833 -0.988 722 HD23 LEU 91 HD23 LEU 91 -11.695 1.407 0.005 723 H ILE 92 H ILE 92 -11.189 0.860 -4.479 724 HA ILE 92 HA ILE 92 -12.651 3.353 -4.065 725 HB ILE 92 HB ILE 92 -13.108 1.271 -6.218 726 HG12 ILE 92 HG12 ILE 92 -11.745 3.965 -6.446 727 HG13 ILE 92 HG13 ILE 92 -10.896 2.423 -6.389 728 HG21 ILE 92 HG21 ILE 92 -15.099 2.570 -5.711 729 HG22 ILE 92 HG22 ILE 92 -14.188 4.070 -5.888 730 HG23 ILE 92 HG23 ILE 92 -14.455 3.029 -7.287 731 HD11 ILE 92 HD11 ILE 92 -12.858 3.257 -8.513 732 HD12 ILE 92 HD12 ILE 92 -11.100 3.282 -8.663 733 HD13 ILE 92 HD13 ILE 92 -11.946 1.748 -8.465 734 H GLY 93 H GLY 93 -14.067 3.278 -2.565 735 HA2 GLY 93 HA2 GLY 93 -16.399 1.922 -2.553 736 HA3 GLY 93 HA3 GLY 93 -15.306 0.813 -1.736 737 H GLU 94 H GLU 94 -14.967 1.070 0.370 738 HA GLU 94 HA GLU 94 -15.836 3.596 1.605 739 HB2 GLU 94 HB2 GLU 94 -16.504 0.797 2.516 740 HB3 GLU 94 HB3 GLU 94 -16.897 2.266 3.398 741 HG2 GLU 94 HG2 GLU 94 -18.454 2.943 1.771 742 HG3 GLU 94 HG3 GLU 94 -17.874 1.748 0.610 743 H LYS 95 H LYS 95 -14.001 4.395 2.506 744 HA LYS 95 HA LYS 95 -12.120 2.648 3.831 745 HB2 LYS 95 HB2 LYS 95 -12.309 5.601 3.370 746 HB3 LYS 95 HB3 LYS 95 -11.305 5.022 4.687 747 HG2 LYS 95 HG2 LYS 95 -10.087 3.595 3.021 748 HG3 LYS 95 HG3 LYS 95 -11.003 4.409 1.751 749 HD2 LYS 95 HD2 LYS 95 -10.076 6.548 2.405 750 HD3 LYS 95 HD3 LYS 95 -9.247 5.807 3.770 751 HE2 LYS 95 HE2 LYS 95 -7.858 4.491 2.222 752 HE3 LYS 95 HE3 LYS 95 -8.709 5.221 0.850 753 HZ1 LYS 95 HZ1 LYS 95 -7.888 7.382 1.523 754 HZ2 LYS 95 HZ2 LYS 95 -6.601 6.314 1.272 755 HZ3 LYS 95 HZ3 LYS 95 -7.085 6.697 2.846 756 H SER 96 H SER 96 -13.655 1.634 5.197 757 HA SER 96 HA SER 96 -15.267 3.114 7.031 758 HB2 SER 96 HB2 SER 96 -15.966 0.925 6.169 759 HB3 SER 96 HB3 SER 96 -14.586 0.165 6.959 760 HG SER 96 HG SER 96 -15.505 0.449 8.899 761 H ASN 97 H ASN 97 -15.026 3.454 9.183 762 HA ASN 97 HA ASN 97 -12.364 2.901 10.305 763 HB2 ASN 97 HB2 ASN 97 -12.972 5.277 10.264 764 HB3 ASN 97 HB3 ASN 97 -14.451 4.929 11.153 765 HD21 ASN 97 HD21 ASN 97 -14.336 4.443 13.341 766 HD22 ASN 97 HD22 ASN 97 -12.925 4.774 14.283 Start of MODEL 4 1 H1 MET 1 H1 MET 1 5.905 10.728 -15.435 2 H2 MET 1 H2 MET 1 7.274 11.108 -14.509 3 H3 MET 1 H3 MET 1 5.937 12.149 -14.506 4 HB2 MET 1 HB2 MET 1 7.157 8.912 -13.670 5 HB3 MET 1 HB3 MET 1 5.972 8.525 -12.433 6 HG2 MET 1 HG2 MET 1 5.411 8.558 -15.386 7 HG3 MET 1 HG3 MET 1 5.810 7.117 -14.454 8 HE1 MET 1 HE1 MET 1 4.275 6.118 -12.535 9 HE2 MET 1 HE2 MET 1 4.311 7.676 -11.711 10 HE3 MET 1 HE3 MET 1 2.771 6.864 -11.997 11 H ALA 2 H ALA 2 4.457 10.351 -11.181 12 HA ALA 2 HA ALA 2 6.589 11.808 -9.760 13 HB1 ALA 2 HB1 ALA 2 4.872 12.489 -8.150 14 HB2 ALA 2 HB2 ALA 2 4.479 13.034 -9.781 15 HB3 ALA 2 HB3 ALA 2 3.651 11.638 -9.095 16 H LYS 3 H LYS 3 7.276 10.992 -7.790 17 HA LYS 3 HA LYS 3 7.942 9.399 -6.335 18 HB2 LYS 3 HB2 LYS 3 5.653 9.384 -5.512 19 HB3 LYS 3 HB3 LYS 3 5.186 8.246 -6.774 20 HG2 LYS 3 HG2 LYS 3 7.041 6.747 -5.782 21 HG3 LYS 3 HG3 LYS 3 6.900 7.794 -4.370 22 HD2 LYS 3 HD2 LYS 3 4.285 7.004 -5.246 23 HD3 LYS 3 HD3 LYS 3 5.302 5.573 -5.035 24 HE2 LYS 3 HE2 LYS 3 4.139 6.106 -2.977 25 HE3 LYS 3 HE3 LYS 3 5.883 6.295 -2.785 26 HZ1 LYS 3 HZ1 LYS 3 4.494 8.099 -1.776 27 HZ2 LYS 3 HZ2 LYS 3 4.059 8.583 -3.343 28 HZ3 LYS 3 HZ3 LYS 3 5.677 8.642 -2.859 29 H THR 4 H THR 4 9.487 8.109 -6.910 30 HA THR 4 HA THR 4 9.066 5.565 -8.117 31 HB THR 4 HB THR 4 10.600 7.544 -9.837 32 HG1 THR 4 HG1 THR 4 7.948 7.010 -9.763 33 HG21 THR 4 HG21 THR 4 11.448 5.257 -9.959 34 HG22 THR 4 HG22 THR 4 10.657 5.713 -11.467 35 HG23 THR 4 HG23 THR 4 9.823 4.666 -10.319 36 H GLU 5 H GLU 5 11.518 8.145 -7.804 37 HA GLU 5 HA GLU 5 13.586 6.127 -7.384 38 HB2 GLU 5 HB2 GLU 5 13.909 9.122 -7.568 39 HB3 GLU 5 HB3 GLU 5 15.156 7.898 -7.766 40 HG2 GLU 5 HG2 GLU 5 12.794 8.167 -9.604 41 HG3 GLU 5 HG3 GLU 5 14.341 8.963 -9.879 42 H GLU 6 H GLU 6 11.476 7.462 -5.381 43 HA GLU 6 HA GLU 6 13.034 8.662 -3.347 44 HB2 GLU 6 HB2 GLU 6 10.287 7.461 -3.424 45 HB3 GLU 6 HB3 GLU 6 10.967 8.031 -1.911 46 HG2 GLU 6 HG2 GLU 6 9.526 9.694 -2.888 47 HG3 GLU 6 HG3 GLU 6 11.192 10.273 -2.885 48 H MET 7 H MET 7 11.063 5.917 -2.552 49 HA MET 7 HA MET 7 11.322 4.234 -1.096 50 HB2 MET 7 HB2 MET 7 13.430 3.991 -3.011 51 HB3 MET 7 HB3 MET 7 14.031 3.473 -1.439 52 HG2 MET 7 HG2 MET 7 12.242 1.898 -1.209 53 HG3 MET 7 HG3 MET 7 11.483 2.476 -2.699 54 HE1 MET 7 HE1 MET 7 15.326 1.903 -2.021 55 HE2 MET 7 HE2 MET 7 14.552 0.598 -1.122 56 HE3 MET 7 HE3 MET 7 15.527 0.232 -2.547 57 H VAL 8 H VAL 8 11.868 6.881 -0.166 58 HA VAL 8 HA VAL 8 12.871 6.102 2.413 59 HB VAL 8 HB VAL 8 14.356 8.268 2.465 60 HG11 VAL 8 HG11 VAL 8 16.351 6.957 1.905 61 HG12 VAL 8 HG12 VAL 8 15.220 6.050 2.908 62 HG13 VAL 8 HG13 VAL 8 15.324 5.720 1.180 63 HG21 VAL 8 HG21 VAL 8 13.840 9.033 0.215 64 HG22 VAL 8 HG22 VAL 8 15.563 8.691 0.380 65 HG23 VAL 8 HG23 VAL 8 14.513 7.549 -0.459 66 H GLN 9 H GLN 9 10.423 6.620 2.432 67 HA GLN 9 HA GLN 9 10.317 9.445 3.318 68 HB2 GLN 9 HB2 GLN 9 8.231 7.809 1.930 69 HB3 GLN 9 HB3 GLN 9 7.777 9.174 2.944 70 HG2 GLN 9 HG2 GLN 9 9.674 9.330 0.616 71 HG3 GLN 9 HG3 GLN 9 7.962 9.745 0.554 72 HE21 GLN 9 HE21 GLN 9 7.911 10.924 3.191 73 HE22 GLN 9 HE22 GLN 9 8.733 12.445 3.063 74 H THR 10 H THR 10 8.300 6.526 3.899 75 HA THR 10 HA THR 10 8.301 7.302 6.731 76 HB THR 10 HB THR 10 6.356 5.418 5.388 77 HG1 THR 10 HG1 THR 10 4.984 7.275 5.207 78 HG21 THR 10 HG21 THR 10 6.209 7.029 7.945 79 HG22 THR 10 HG22 THR 10 6.440 5.283 7.824 80 HG23 THR 10 HG23 THR 10 4.921 6.010 7.297 81 H GLU 11 H GLU 11 9.904 6.273 7.724 82 HA GLU 11 HA GLU 11 10.821 3.667 7.018 83 HB2 GLU 11 HB2 GLU 11 12.180 5.536 8.020 84 HB3 GLU 11 HB3 GLU 11 11.392 5.193 9.551 85 HG2 GLU 11 HG2 GLU 11 12.305 2.934 9.521 86 HG3 GLU 11 HG3 GLU 11 13.087 3.273 7.977 87 H GLU 12 H GLU 12 10.813 1.786 8.257 88 HA GLU 12 HA GLU 12 9.274 1.610 10.682 89 HB2 GLU 12 HB2 GLU 12 7.577 1.321 8.862 90 HB3 GLU 12 HB3 GLU 12 8.483 -0.065 8.283 91 HG2 GLU 12 HG2 GLU 12 6.515 -0.690 9.605 92 HG3 GLU 12 HG3 GLU 12 8.019 -1.277 10.309 93 H MET 13 H MET 13 9.322 -0.976 11.228 94 HA MET 13 HA MET 13 11.941 -1.355 11.993 95 HB2 MET 13 HB2 MET 13 9.836 -3.493 11.719 96 HB3 MET 13 HB3 MET 13 11.268 -3.551 12.740 97 HG2 MET 13 HG2 MET 13 10.448 -1.738 14.087 98 HG3 MET 13 HG3 MET 13 9.063 -1.526 13.019 99 HE1 MET 13 HE1 MET 13 7.421 -1.601 15.072 100 HE2 MET 13 HE2 MET 13 7.421 -2.880 16.285 101 HE3 MET 13 HE3 MET 13 8.800 -1.786 16.158 102 H GLU 14 H GLU 14 10.324 -2.926 9.193 103 HA GLU 14 HA GLU 14 13.011 -3.863 8.387 104 HB2 GLU 14 HB2 GLU 14 11.430 -5.696 8.428 105 HB3 GLU 14 HB3 GLU 14 10.251 -4.753 7.542 106 HG2 GLU 14 HG2 GLU 14 11.191 -6.387 6.083 107 HG3 GLU 14 HG3 GLU 14 11.734 -4.793 5.572 108 H THR 15 H THR 15 10.511 -1.645 7.679 109 HA THR 15 HA THR 15 10.957 -1.629 4.838 110 HB THR 15 HB THR 15 9.377 0.588 5.796 111 HG1 THR 15 HG1 THR 15 7.709 -1.218 6.432 112 HG21 THR 15 HG21 THR 15 7.726 -0.477 4.319 113 HG22 THR 15 HG22 THR 15 8.759 -1.901 4.194 114 HG23 THR 15 HG23 THR 15 9.302 -0.356 3.539 115 HA PRO 16 HA PRO 16 14.051 1.335 4.790 116 HB2 PRO 16 HB2 PRO 16 14.312 1.528 2.174 117 HB3 PRO 16 HB3 PRO 16 14.462 -0.045 2.970 118 HG2 PRO 16 HG2 PRO 16 12.199 1.052 1.376 119 HG3 PRO 16 HG3 PRO 16 12.797 -0.612 1.484 120 HD2 PRO 16 HD2 PRO 16 10.594 0.529 2.936 121 HD3 PRO 16 HD3 PRO 16 11.353 -1.087 3.162 122 H ARG 17 H ARG 17 11.812 2.685 5.574 123 HA ARG 17 HA ARG 17 10.578 4.581 5.444 124 HB2 ARG 17 HB2 ARG 17 13.152 5.307 4.175 125 HB3 ARG 17 HB3 ARG 17 11.804 6.379 3.840 126 HG2 ARG 17 HG2 ARG 17 11.461 6.672 6.255 127 HG3 ARG 17 HG3 ARG 17 12.873 5.651 6.555 128 HD2 ARG 17 HD2 ARG 17 14.299 7.222 5.393 129 HD3 ARG 17 HD3 ARG 17 12.903 8.213 4.967 130 HE ARG 17 HE ARG 17 13.671 7.764 7.782 131 HH11 ARG 17 HH11 ARG 17 12.996 9.935 5.115 132 HH12 ARG 17 HH12 ARG 17 12.927 11.346 6.120 133 HH21 ARG 17 HH21 ARG 17 13.605 9.625 9.091 134 HH22 ARG 17 HH22 ARG 17 13.276 11.176 8.375 135 H LEU 18 H LEU 18 9.207 2.992 4.093 136 HA LEU 18 HA LEU 18 8.961 4.138 1.398 137 HB2 LEU 18 HB2 LEU 18 8.850 1.385 2.354 138 HB3 LEU 18 HB3 LEU 18 7.574 1.862 1.263 139 HG LEU 18 HG LEU 18 9.088 2.421 -0.471 140 HD11 LEU 18 HD11 LEU 18 10.772 3.501 0.863 141 HD12 LEU 18 HD12 LEU 18 11.277 1.947 1.525 142 HD13 LEU 18 HD13 LEU 18 11.496 2.287 -0.190 143 HD21 LEU 18 HD21 LEU 18 9.970 -0.152 0.838 144 HD22 LEU 18 HD22 LEU 18 8.586 0.042 -0.238 145 HD23 LEU 18 HD23 LEU 18 10.220 0.290 -0.852 146 H SER 19 H SER 19 7.137 5.062 0.810 147 HA SER 19 HA SER 19 4.929 5.044 2.710 148 HB2 SER 19 HB2 SER 19 4.942 7.395 2.787 149 HB3 SER 19 HB3 SER 19 6.641 6.924 2.873 150 HG SER 19 HG SER 19 5.239 7.941 0.633 151 H VAL 20 H VAL 20 3.117 4.580 1.732 152 HA VAL 20 HA VAL 20 2.986 4.771 -1.188 153 HB VAL 20 HB VAL 20 2.672 2.530 -0.171 154 HG11 VAL 20 HG11 VAL 20 0.233 3.790 1.047 155 HG12 VAL 20 HG12 VAL 20 0.596 2.064 1.038 156 HG13 VAL 20 HG13 VAL 20 1.649 3.182 1.905 157 HG21 VAL 20 HG21 VAL 20 1.637 3.029 -2.319 158 HG22 VAL 20 HG22 VAL 20 0.638 1.927 -1.371 159 HG23 VAL 20 HG23 VAL 20 0.200 3.631 -1.492 160 H ILE 21 H ILE 21 1.118 5.515 -2.185 161 HA ILE 21 HA ILE 21 -0.337 7.531 -0.645 162 HB ILE 21 HB ILE 21 -0.743 7.014 -3.569 163 HG12 ILE 21 HG12 ILE 21 1.569 8.649 -2.524 164 HG13 ILE 21 HG13 ILE 21 1.744 6.959 -3.008 165 HG21 ILE 21 HG21 ILE 21 -0.983 9.457 -3.630 166 HG22 ILE 21 HG22 ILE 21 -2.091 8.714 -2.475 167 HG23 ILE 21 HG23 ILE 21 -0.631 9.524 -1.903 168 HD11 ILE 21 HD11 ILE 21 1.003 7.549 -5.265 169 HD12 ILE 21 HD12 ILE 21 0.835 9.234 -4.769 170 HD13 ILE 21 HD13 ILE 21 2.425 8.473 -4.785 171 H VAL 22 H VAL 22 -2.100 6.735 0.352 172 HA VAL 22 HA VAL 22 -3.704 4.719 -1.063 173 HB VAL 22 HB VAL 22 -3.794 5.378 1.881 174 HG11 VAL 22 HG11 VAL 22 -5.005 3.257 2.043 175 HG12 VAL 22 HG12 VAL 22 -5.834 4.411 0.997 176 HG13 VAL 22 HG13 VAL 22 -4.917 3.080 0.289 177 HG21 VAL 22 HG21 VAL 22 -2.353 3.127 0.489 178 HG22 VAL 22 HG22 VAL 22 -1.603 4.480 1.333 179 HG23 VAL 22 HG23 VAL 22 -2.549 3.294 2.233 180 H THR 23 H THR 23 -5.466 5.532 -1.995 181 HA THR 23 HA THR 23 -6.842 7.673 -0.554 182 HB THR 23 HB THR 23 -5.599 8.861 -2.188 183 HG1 THR 23 HG1 THR 23 -7.277 9.857 -3.296 184 HG21 THR 23 HG21 THR 23 -6.725 6.973 -4.255 185 HG22 THR 23 HG22 THR 23 -5.049 7.050 -3.712 186 HG23 THR 23 HG23 THR 23 -5.753 8.405 -4.596 187 H HIS 24 H HIS 24 -8.997 7.903 -0.906 188 HA HIS 24 HA HIS 24 -10.406 5.951 -2.594 189 HB2 HIS 24 HB2 HIS 24 -10.729 5.012 -0.436 190 HB3 HIS 24 HB3 HIS 24 -10.852 6.589 0.330 191 HD1 HIS 24 HD1 HIS 24 -13.126 6.961 1.155 192 HD2 HIS 24 HD2 HIS 24 -13.124 4.835 -2.423 193 HE1 HIS 24 HE1 HIS 24 -15.548 6.549 0.603 194 HE2 HIS 24 HE2 HIS 24 -15.513 5.512 -1.697 195 H SER 25 H SER 25 -11.299 7.267 -4.096 196 HA SER 25 HA SER 25 -12.334 9.011 -5.119 197 HB2 SER 25 HB2 SER 25 -14.093 8.751 -3.409 198 HB3 SER 25 HB3 SER 25 -13.197 9.815 -2.327 199 HG SER 25 HG SER 25 -14.737 11.036 -3.360 200 H ASN 26 H ASN 26 -10.662 9.980 -2.171 201 HA ASN 26 HA ASN 26 -8.788 11.686 -3.378 202 HB2 ASN 26 HB2 ASN 26 -10.751 13.192 -3.685 203 HB3 ASN 26 HB3 ASN 26 -11.050 13.130 -1.951 204 HD21 ASN 26 HD21 ASN 26 -10.712 15.229 -1.462 205 HD22 ASN 26 HD22 ASN 26 -9.193 16.037 -1.658 206 H GLU 27 H GLU 27 -10.684 10.659 -0.703 207 HA GLU 27 HA GLU 27 -9.312 11.468 1.535 208 HB2 GLU 27 HB2 GLU 27 -11.399 10.333 1.666 209 HB3 GLU 27 HB3 GLU 27 -10.758 8.913 0.863 210 HG2 GLU 27 HG2 GLU 27 -9.377 8.446 2.821 211 HG3 GLU 27 HG3 GLU 27 -10.047 9.871 3.622 212 H ARG 28 H ARG 28 -7.174 11.429 1.701 213 HA ARG 28 HA ARG 28 -5.713 9.049 0.764 214 HB2 ARG 28 HB2 ARG 28 -5.532 11.373 -0.487 215 HB3 ARG 28 HB3 ARG 28 -4.424 11.749 0.822 216 HG2 ARG 28 HG2 ARG 28 -4.138 9.361 -0.990 217 HG3 ARG 28 HG3 ARG 28 -3.346 10.909 -1.262 218 HD2 ARG 28 HD2 ARG 28 -2.996 9.286 1.251 219 HD3 ARG 28 HD3 ARG 28 -1.942 9.136 -0.152 220 HE ARG 28 HE ARG 28 -2.259 11.803 0.988 221 HH11 ARG 28 HH11 ARG 28 -0.312 8.880 0.813 222 HH12 ARG 28 HH12 ARG 28 1.148 9.669 1.308 223 HH21 ARG 28 HH21 ARG 28 -0.330 12.843 1.611 224 HH22 ARG 28 HH22 ARG 28 1.147 11.932 1.731 225 H TYR 29 H TYR 29 -4.583 8.054 2.213 226 HA TYR 29 HA TYR 29 -3.493 9.542 4.500 227 HB2 TYR 29 HB2 TYR 29 -4.671 6.760 4.438 228 HB3 TYR 29 HB3 TYR 29 -3.607 7.305 5.728 229 HD1 TYR 29 HD1 TYR 29 -6.862 7.915 4.085 230 HD2 TYR 29 HD2 TYR 29 -4.431 8.655 7.496 231 HE1 TYR 29 HE1 TYR 29 -8.798 8.888 5.245 232 HE2 TYR 29 HE2 TYR 29 -6.360 9.630 8.667 233 HH TYR 29 HH TYR 29 -9.555 9.300 7.537 234 H ASP 30 H ASP 30 -1.339 9.272 4.841 235 HA ASP 30 HA ASP 30 0.154 7.865 2.794 236 HB2 ASP 30 HB2 ASP 30 0.912 10.044 3.797 237 HB3 ASP 30 HB3 ASP 30 1.185 9.200 5.319 238 H LEU 31 H LEU 31 0.708 5.832 2.910 239 HA LEU 31 HA LEU 31 0.528 4.451 5.509 240 HB2 LEU 31 HB2 LEU 31 -1.080 4.083 3.285 241 HB3 LEU 31 HB3 LEU 31 0.110 2.811 3.121 242 HG LEU 31 HG LEU 31 -2.020 2.149 4.265 243 HD11 LEU 31 HD11 LEU 31 0.547 1.926 5.866 244 HD12 LEU 31 HD12 LEU 31 -0.882 0.911 6.068 245 HD13 LEU 31 HD13 LEU 31 0.032 0.858 4.561 246 HD21 LEU 31 HD21 LEU 31 -2.314 2.848 6.586 247 HD22 LEU 31 HD22 LEU 31 -0.911 3.910 6.467 248 HD23 LEU 31 HD23 LEU 31 -2.349 4.240 5.503 249 H LEU 32 H LEU 32 1.980 2.546 5.681 250 HA LEU 32 HA LEU 32 4.357 3.012 4.024 251 HB2 LEU 32 HB2 LEU 32 5.102 3.776 6.027 252 HB3 LEU 32 HB3 LEU 32 4.019 2.751 6.959 253 HG LEU 32 HG LEU 32 6.536 2.370 7.248 254 HD11 LEU 32 HD11 LEU 32 4.873 0.783 8.033 255 HD12 LEU 32 HD12 LEU 32 4.847 0.018 6.445 256 HD13 LEU 32 HD13 LEU 32 6.311 -0.038 7.425 257 HD21 LEU 32 HD21 LEU 32 6.274 1.065 4.577 258 HD22 LEU 32 HD22 LEU 32 7.214 2.509 4.955 259 HD23 LEU 32 HD23 LEU 32 7.656 0.957 5.667 260 H VAL 33 H VAL 33 5.386 1.349 3.185 261 HA VAL 33 HA VAL 33 3.869 -0.890 2.466 262 HB VAL 33 HB VAL 33 6.501 0.228 1.816 263 HG11 VAL 33 HG11 VAL 33 7.335 -1.889 2.703 264 HG12 VAL 33 HG12 VAL 33 6.201 -2.773 1.680 265 HG13 VAL 33 HG13 VAL 33 7.497 -1.825 0.947 266 HG21 VAL 33 HG21 VAL 33 5.893 -0.597 -0.410 267 HG22 VAL 33 HG22 VAL 33 4.510 -1.439 0.289 268 HG23 VAL 33 HG23 VAL 33 4.586 0.323 0.336 269 H THR 34 H THR 34 4.401 -3.198 2.837 270 HA THR 34 HA THR 34 4.335 -3.345 5.717 271 HB THR 34 HB THR 34 3.900 -5.597 3.753 272 HG1 THR 34 HG1 THR 34 2.565 -3.525 3.567 273 HG21 THR 34 HG21 THR 34 2.496 -6.511 5.548 274 HG22 THR 34 HG22 THR 34 2.907 -5.135 6.572 275 HG23 THR 34 HG23 THR 34 4.159 -6.282 6.091 276 HA PRO 35 HA PRO 35 8.560 -4.573 6.053 277 HB2 PRO 35 HB2 PRO 35 8.524 -4.930 8.730 278 HB3 PRO 35 HB3 PRO 35 8.531 -3.333 7.978 279 HG2 PRO 35 HG2 PRO 35 6.210 -4.893 9.060 280 HG3 PRO 35 HG3 PRO 35 6.609 -3.179 9.292 281 HD2 PRO 35 HD2 PRO 35 4.776 -3.981 7.489 282 HD3 PRO 35 HD3 PRO 35 5.830 -2.581 7.202 283 H GLN 36 H GLN 36 9.791 -6.345 6.954 284 HA GLN 36 HA GLN 36 10.288 -8.507 7.358 285 HB2 GLN 36 HB2 GLN 36 7.352 -9.200 7.437 286 HB3 GLN 36 HB3 GLN 36 8.694 -10.144 8.063 287 HG2 GLN 36 HG2 GLN 36 7.504 -7.623 9.165 288 HG3 GLN 36 HG3 GLN 36 7.653 -9.197 9.935 289 HE21 GLN 36 HE21 GLN 36 9.665 -9.823 10.771 290 HE22 GLN 36 HE22 GLN 36 10.909 -8.664 11.098 291 H GLN 37 H GLN 37 9.970 -7.338 4.780 292 HA GLN 37 HA GLN 37 9.744 -9.856 3.259 293 HB2 GLN 37 HB2 GLN 37 8.547 -7.340 2.651 294 HB3 GLN 37 HB3 GLN 37 9.864 -7.567 1.524 295 HG2 GLN 37 HG2 GLN 37 7.451 -9.296 1.903 296 HG3 GLN 37 HG3 GLN 37 7.987 -8.449 0.448 297 HE21 GLN 37 HE21 GLN 37 8.405 -11.254 2.451 298 HE22 GLN 37 HE22 GLN 37 9.408 -12.139 1.356 299 H GLY 38 H GLY 38 10.997 -7.110 1.744 300 HA2 GLY 38 HA2 GLY 38 13.766 -7.593 2.558 301 HA3 GLY 38 HA3 GLY 38 13.367 -7.660 0.836 302 H ASN 39 H ASN 39 11.556 -5.759 2.932 303 HA ASN 39 HA ASN 39 10.871 -3.662 2.970 304 HB2 ASN 39 HB2 ASN 39 12.529 -1.871 3.226 305 HB3 ASN 39 HB3 ASN 39 12.800 -3.261 4.274 306 HD21 ASN 39 HD21 ASN 39 14.704 -4.279 4.218 307 HD22 ASN 39 HD22 ASN 39 16.006 -3.886 3.142 308 H SER 40 H SER 40 12.908 -4.284 0.207 309 HA SER 40 HA SER 40 12.052 -1.898 -1.160 310 HB2 SER 40 HB2 SER 40 13.538 -4.314 -2.209 311 HB3 SER 40 HB3 SER 40 13.389 -2.749 -3.012 312 HG SER 40 HG SER 40 14.336 -2.523 -0.464 313 H GLU 41 H GLU 41 11.046 -5.217 -0.943 314 HA GLU 41 HA GLU 41 8.977 -4.690 -2.910 315 HB2 GLU 41 HB2 GLU 41 9.221 -7.047 -3.733 316 HB3 GLU 41 HB3 GLU 41 10.551 -5.984 -4.159 317 HG2 GLU 41 HG2 GLU 41 11.797 -6.940 -2.196 318 HG3 GLU 41 HG3 GLU 41 10.509 -8.138 -2.071 319 HA PRO 42 HA PRO 42 7.021 -5.565 0.947 320 HB2 PRO 42 HB2 PRO 42 4.612 -4.978 -0.661 321 HB3 PRO 42 HB3 PRO 42 5.208 -4.194 0.806 322 HG2 PRO 42 HG2 PRO 42 5.378 -2.983 -1.559 323 HG3 PRO 42 HG3 PRO 42 6.677 -2.834 -0.360 324 HD2 PRO 42 HD2 PRO 42 6.535 -4.565 -2.795 325 HD3 PRO 42 HD3 PRO 42 7.892 -3.598 -2.174 326 H VAL 43 H VAL 43 5.201 -6.878 1.732 327 HA VAL 43 HA VAL 43 5.365 -9.512 0.598 328 HB VAL 43 HB VAL 43 3.972 -10.219 2.475 329 HG11 VAL 43 HG11 VAL 43 5.485 -9.656 4.298 330 HG12 VAL 43 HG12 VAL 43 6.375 -10.017 2.819 331 HG13 VAL 43 HG13 VAL 43 6.166 -8.344 3.334 332 HG21 VAL 43 HG21 VAL 43 3.264 -8.614 4.190 333 HG22 VAL 43 HG22 VAL 43 3.841 -7.291 3.175 334 HG23 VAL 43 HG23 VAL 43 2.497 -8.297 2.634 335 H VAL 44 H VAL 44 3.308 -10.850 0.315 336 HA VAL 44 HA VAL 44 1.778 -9.801 -1.766 337 HB VAL 44 HB VAL 44 0.200 -11.699 -1.355 338 HG11 VAL 44 HG11 VAL 44 1.838 -13.461 -1.852 339 HG12 VAL 44 HG12 VAL 44 2.141 -11.989 -2.776 340 HG13 VAL 44 HG13 VAL 44 3.140 -12.371 -1.373 341 HG21 VAL 44 HG21 VAL 44 2.052 -12.284 0.960 342 HG22 VAL 44 HG22 VAL 44 0.359 -11.801 1.077 343 HG23 VAL 44 HG23 VAL 44 0.784 -13.355 0.359 344 H GLN 45 H GLN 45 1.362 -9.650 1.612 345 HA GLN 45 HA GLN 45 -1.390 -9.060 1.804 346 HB2 GLN 45 HB2 GLN 45 0.820 -8.334 3.730 347 HB3 GLN 45 HB3 GLN 45 -0.895 -8.435 4.095 348 HG2 GLN 45 HG2 GLN 45 -0.880 -10.813 3.748 349 HG3 GLN 45 HG3 GLN 45 0.799 -10.759 3.212 350 HE21 GLN 45 HE21 GLN 45 1.500 -8.768 5.263 351 HE22 GLN 45 HE22 GLN 45 1.595 -9.642 6.753 352 H ASP 46 H ASP 46 1.362 -7.131 1.007 353 HA ASP 46 HA ASP 46 0.864 -4.797 2.447 354 HB2 ASP 46 HB2 ASP 46 3.033 -5.182 1.608 355 HB3 ASP 46 HB3 ASP 46 2.446 -5.376 -0.038 356 H LEU 47 H LEU 47 -0.075 -5.553 -0.926 357 HA LEU 47 HA LEU 47 -0.821 -2.960 -1.553 358 HB2 LEU 47 HB2 LEU 47 -1.601 -3.848 -3.511 359 HB3 LEU 47 HB3 LEU 47 -0.428 -5.022 -3.024 360 HG LEU 47 HG LEU 47 -3.411 -5.343 -2.675 361 HD11 LEU 47 HD11 LEU 47 -3.215 -6.962 -4.491 362 HD12 LEU 47 HD12 LEU 47 -2.772 -5.336 -5.014 363 HD13 LEU 47 HD13 LEU 47 -1.516 -6.530 -4.688 364 HD21 LEU 47 HD21 LEU 47 -2.111 -6.604 -1.033 365 HD22 LEU 47 HD22 LEU 47 -2.866 -7.677 -2.211 366 HD23 LEU 47 HD23 LEU 47 -1.145 -7.308 -2.332 367 H ALA 48 H ALA 48 -2.709 -5.656 -0.255 368 HA ALA 48 HA ALA 48 -5.149 -4.230 0.026 369 HB1 ALA 48 HB1 ALA 48 -4.145 -6.666 1.505 370 HB2 ALA 48 HB2 ALA 48 -5.809 -6.084 1.491 371 HB3 ALA 48 HB3 ALA 48 -5.070 -6.677 0.003 372 H GLN 49 H GLN 49 -2.311 -4.723 1.957 373 HA GLN 49 HA GLN 49 -3.298 -4.061 4.472 374 HB2 GLN 49 HB2 GLN 49 -1.174 -5.187 4.190 375 HB3 GLN 49 HB3 GLN 49 -0.526 -3.835 3.292 376 HG2 GLN 49 HG2 GLN 49 0.415 -3.291 5.234 377 HG3 GLN 49 HG3 GLN 49 -1.168 -2.602 5.596 378 HE21 GLN 49 HE21 GLN 49 -0.552 -6.029 5.390 379 HE22 GLN 49 HE22 GLN 49 -0.753 -6.376 7.077 380 H LEU 50 H LEU 50 -1.582 -2.158 2.097 381 HA LEU 50 HA LEU 50 -1.306 0.192 3.588 382 HB2 LEU 50 HB2 LEU 50 -1.616 -0.142 0.608 383 HB3 LEU 50 HB3 LEU 50 -0.918 1.253 1.418 384 HG LEU 50 HG LEU 50 0.268 -1.523 1.524 385 HD11 LEU 50 HD11 LEU 50 1.961 -0.677 0.004 386 HD12 LEU 50 HD12 LEU 50 0.364 -0.605 -0.737 387 HD13 LEU 50 HD13 LEU 50 1.109 0.863 -0.105 388 HD21 LEU 50 HD21 LEU 50 1.339 1.140 2.411 389 HD22 LEU 50 HD22 LEU 50 0.790 -0.166 3.462 390 HD23 LEU 50 HD23 LEU 50 2.212 -0.394 2.444 391 H VAL 51 H VAL 51 -3.689 -0.642 1.120 392 HA VAL 51 HA VAL 51 -5.302 1.672 1.336 393 HB VAL 51 HB VAL 51 -5.174 -0.667 -0.149 394 HG11 VAL 51 HG11 VAL 51 -6.870 -1.690 1.220 395 HG12 VAL 51 HG12 VAL 51 -7.915 -0.285 1.005 396 HG13 VAL 51 HG13 VAL 51 -7.517 -1.309 -0.375 397 HG21 VAL 51 HG21 VAL 51 -6.971 1.721 -0.357 398 HG22 VAL 51 HG22 VAL 51 -5.332 1.579 -0.991 399 HG23 VAL 51 HG23 VAL 51 -6.624 0.582 -1.657 400 H GLU 52 H GLU 52 -5.289 -1.400 3.071 401 HA GLU 52 HA GLU 52 -7.739 -1.002 4.450 402 HB2 GLU 52 HB2 GLU 52 -7.090 -3.231 4.293 403 HB3 GLU 52 HB3 GLU 52 -5.418 -2.885 4.708 404 HG2 GLU 52 HG2 GLU 52 -6.010 -2.561 7.017 405 HG3 GLU 52 HG3 GLU 52 -7.721 -2.735 6.638 406 H GLU 53 H GLU 53 -4.333 -0.577 5.319 407 HA GLU 53 HA GLU 53 -4.778 -0.016 8.068 408 HB2 GLU 53 HB2 GLU 53 -2.692 -0.978 7.187 409 HB3 GLU 53 HB3 GLU 53 -2.359 0.525 6.347 410 HG2 GLU 53 HG2 GLU 53 -1.054 0.287 8.379 411 HG3 GLU 53 HG3 GLU 53 -2.110 1.689 8.448 412 H ALA 54 H ALA 54 -4.873 1.900 5.204 413 HA ALA 54 HA ALA 54 -4.135 4.393 6.147 414 HB1 ALA 54 HB1 ALA 54 -5.507 5.332 4.377 415 HB2 ALA 54 HB2 ALA 54 -4.636 3.909 3.806 416 HB3 ALA 54 HB3 ALA 54 -6.352 3.795 4.198 417 H THR 55 H THR 55 -7.473 3.020 6.211 418 HA THR 55 HA THR 55 -8.012 5.000 8.331 419 HB THR 55 HB THR 55 -10.473 4.427 7.773 420 HG1 THR 55 HG1 THR 55 -10.620 3.001 6.239 421 HG21 THR 55 HG21 THR 55 -9.417 6.601 7.341 422 HG22 THR 55 HG22 THR 55 -10.523 6.152 6.043 423 HG23 THR 55 HG23 THR 55 -8.783 5.985 5.815 424 H GLY 56 H GLY 56 -7.694 1.647 7.721 425 HA2 GLY 56 HA2 GLY 56 -7.675 0.058 9.516 426 HA3 GLY 56 HA3 GLY 56 -8.828 1.069 10.377 427 H VAL 57 H VAL 57 -9.275 0.524 7.032 428 HA VAL 57 HA VAL 57 -11.857 -0.670 7.559 429 HB VAL 57 HB VAL 57 -12.054 1.011 5.987 430 HG11 VAL 57 HG11 VAL 57 -9.550 0.003 4.656 431 HG12 VAL 57 HG12 VAL 57 -10.519 1.373 4.113 432 HG13 VAL 57 HG13 VAL 57 -9.696 1.439 5.671 433 HG21 VAL 57 HG21 VAL 57 -12.523 0.008 3.813 434 HG22 VAL 57 HG22 VAL 57 -11.635 -1.442 4.286 435 HG23 VAL 57 HG23 VAL 57 -13.122 -1.006 5.126 436 HA PRO 58 HA PRO 58 -10.570 -4.859 6.775 437 HB2 PRO 58 HB2 PRO 58 -13.005 -5.904 6.209 438 HB3 PRO 58 HB3 PRO 58 -12.493 -5.491 7.853 439 HG2 PRO 58 HG2 PRO 58 -14.125 -3.860 5.924 440 HG3 PRO 58 HG3 PRO 58 -14.469 -4.219 7.633 441 HD2 PRO 58 HD2 PRO 58 -13.394 -1.889 6.923 442 HD3 PRO 58 HD3 PRO 58 -12.830 -2.728 8.387 443 H LEU 59 H LEU 59 -10.384 -6.370 5.071 444 HA LEU 59 HA LEU 59 -9.850 -5.366 2.592 445 HB2 LEU 59 HB2 LEU 59 -10.677 -8.184 3.267 446 HB3 LEU 59 HB3 LEU 59 -9.970 -7.697 1.737 447 HG LEU 59 HG LEU 59 -7.977 -6.866 3.157 448 HD11 LEU 59 HD11 LEU 59 -9.060 -7.034 5.337 449 HD12 LEU 59 HD12 LEU 59 -9.239 -8.774 5.119 450 HD13 LEU 59 HD13 LEU 59 -7.630 -8.064 5.251 451 HD21 LEU 59 HD21 LEU 59 -6.970 -9.095 3.112 452 HD22 LEU 59 HD22 LEU 59 -8.566 -9.806 2.866 453 HD23 LEU 59 HD23 LEU 59 -7.872 -8.752 1.635 454 HA PRO 60 HA PRO 60 -14.079 -6.965 0.844 455 HB2 PRO 60 HB2 PRO 60 -15.987 -6.692 3.052 456 HB3 PRO 60 HB3 PRO 60 -15.721 -8.050 1.954 457 HG2 PRO 60 HG2 PRO 60 -14.999 -8.176 4.513 458 HG3 PRO 60 HG3 PRO 60 -14.023 -8.935 3.247 459 HD2 PRO 60 HD2 PRO 60 -13.615 -6.304 4.635 460 HD3 PRO 60 HD3 PRO 60 -12.425 -7.578 4.300 461 H PHE 61 H PHE 61 -13.790 -4.314 3.045 462 HA PHE 61 HA PHE 61 -16.019 -2.857 1.869 463 HB2 PHE 61 HB2 PHE 61 -14.293 -2.528 4.241 464 HB3 PHE 61 HB3 PHE 61 -14.888 -1.048 3.492 465 HD1 PHE 61 HD1 PHE 61 -15.827 -4.156 5.202 466 HD2 PHE 61 HD2 PHE 61 -17.224 -0.480 3.577 467 HE1 PHE 61 HE1 PHE 61 -17.975 -4.466 6.359 468 HE2 PHE 61 HE2 PHE 61 -19.376 -0.784 4.730 469 HZ PHE 61 HZ PHE 61 -19.771 -2.789 6.084 470 H GLN 62 H GLN 62 -12.654 -3.176 1.381 471 HA GLN 62 HA GLN 62 -12.722 -0.701 -0.195 472 HB2 GLN 62 HB2 GLN 62 -10.310 -0.540 0.044 473 HB3 GLN 62 HB3 GLN 62 -11.064 -0.499 1.609 474 HG2 GLN 62 HG2 GLN 62 -10.512 -3.190 1.160 475 HG3 GLN 62 HG3 GLN 62 -9.125 -2.313 0.508 476 HE21 GLN 62 HE21 GLN 62 -9.400 -4.038 2.880 477 HE22 GLN 62 HE22 GLN 62 -8.835 -3.073 4.197 478 H LYS 63 H LYS 63 -12.609 -0.983 -2.324 479 HA LYS 63 HA LYS 63 -11.393 -3.426 -3.354 480 HB2 LYS 63 HB2 LYS 63 -13.522 -2.667 -4.370 481 HB3 LYS 63 HB3 LYS 63 -12.752 -1.158 -4.838 482 HG2 LYS 63 HG2 LYS 63 -12.884 -2.641 -6.735 483 HG3 LYS 63 HG3 LYS 63 -11.198 -2.412 -6.271 484 HD2 LYS 63 HD2 LYS 63 -11.612 -4.748 -6.782 485 HD3 LYS 63 HD3 LYS 63 -11.262 -4.558 -5.064 486 HE2 LYS 63 HE2 LYS 63 -13.111 -6.090 -5.362 487 HE3 LYS 63 HE3 LYS 63 -13.676 -4.613 -4.587 488 HZ1 LYS 63 HZ1 LYS 63 -13.984 -5.317 -7.457 489 HZ2 LYS 63 HZ2 LYS 63 -14.468 -3.847 -6.764 490 HZ3 LYS 63 HZ3 LYS 63 -15.214 -5.292 -6.287 491 H LEU 64 H LEU 64 -9.227 -3.072 -2.852 492 HA LEU 64 HA LEU 64 -7.978 -0.584 -3.530 493 HB2 LEU 64 HB2 LEU 64 -7.097 -1.651 -1.589 494 HB3 LEU 64 HB3 LEU 64 -7.001 -3.198 -2.416 495 HG LEU 64 HG LEU 64 -4.845 -1.856 -1.853 496 HD11 LEU 64 HD11 LEU 64 -5.229 -3.033 -4.597 497 HD12 LEU 64 HD12 LEU 64 -3.683 -2.760 -3.792 498 HD13 LEU 64 HD13 LEU 64 -4.831 -3.923 -3.127 499 HD21 LEU 64 HD21 LEU 64 -5.510 0.250 -2.829 500 HD22 LEU 64 HD22 LEU 64 -4.088 -0.388 -3.652 501 HD23 LEU 64 HD23 LEU 64 -5.675 -0.512 -4.412 502 H ILE 65 H ILE 65 -7.505 -0.048 -5.411 503 HA ILE 65 HA ILE 65 -6.410 -1.990 -7.351 504 HB ILE 65 HB ILE 65 -7.975 0.541 -7.828 505 HG12 ILE 65 HG12 ILE 65 -8.850 -2.328 -8.278 506 HG13 ILE 65 HG13 ILE 65 -9.384 -1.302 -6.953 507 HG21 ILE 65 HG21 ILE 65 -6.356 0.127 -9.588 508 HG22 ILE 65 HG22 ILE 65 -6.950 -1.520 -9.789 509 HG23 ILE 65 HG23 ILE 65 -7.986 -0.153 -10.201 510 HD11 ILE 65 HD11 ILE 65 -11.059 -1.401 -8.689 511 HD12 ILE 65 HD12 ILE 65 -10.402 0.231 -8.564 512 HD13 ILE 65 HD13 ILE 65 -9.891 -0.828 -9.879 513 H PHE 66 H PHE 66 -4.252 -1.548 -7.127 514 HA PHE 66 HA PHE 66 -3.391 0.715 -8.496 515 HB2 PHE 66 HB2 PHE 66 -3.526 1.214 -5.749 516 HB3 PHE 66 HB3 PHE 66 -1.819 1.074 -6.182 517 HD1 PHE 66 HD1 PHE 66 -1.931 2.011 -8.998 518 HD2 PHE 66 HD2 PHE 66 -3.781 3.558 -5.495 519 HE1 PHE 66 HE1 PHE 66 -1.995 4.245 -10.024 520 HE2 PHE 66 HE2 PHE 66 -3.845 5.795 -6.513 521 HZ PHE 66 HZ PHE 66 -2.954 6.142 -8.782 522 H LYS 67 H LYS 67 -1.238 0.636 -9.136 523 HA LYS 67 HA LYS 67 0.699 -0.313 -9.747 524 HB2 LYS 67 HB2 LYS 67 1.469 -2.313 -8.051 525 HB3 LYS 67 HB3 LYS 67 1.880 -0.632 -7.874 526 HG2 LYS 67 HG2 LYS 67 0.228 -0.329 -6.169 527 HG3 LYS 67 HG3 LYS 67 -0.466 -1.946 -6.438 528 HD2 LYS 67 HD2 LYS 67 1.749 -2.907 -5.766 529 HD3 LYS 67 HD3 LYS 67 2.336 -1.282 -5.423 530 HE2 LYS 67 HE2 LYS 67 0.099 -1.307 -3.924 531 HE3 LYS 67 HE3 LYS 67 0.501 -3.021 -3.889 532 HZ1 LYS 67 HZ1 LYS 67 2.788 -2.325 -3.165 533 HZ2 LYS 67 HZ2 LYS 67 1.567 -2.039 -2.033 534 HZ3 LYS 67 HZ3 LYS 67 2.181 -0.760 -2.953 535 H GLY 68 H GLY 68 -1.764 -1.316 -10.692 536 HA2 GLY 68 HA2 GLY 68 -2.562 -3.022 -11.989 537 HA3 GLY 68 HA3 GLY 68 -0.903 -3.603 -12.095 538 H LYS 69 H LYS 69 -2.094 -3.216 -8.982 539 HA LYS 69 HA LYS 69 -2.637 -6.103 -8.768 540 HB2 LYS 69 HB2 LYS 69 -1.333 -4.295 -6.722 541 HB3 LYS 69 HB3 LYS 69 -1.643 -6.015 -6.532 542 HG2 LYS 69 HG2 LYS 69 -0.069 -6.541 -8.266 543 HG3 LYS 69 HG3 LYS 69 0.161 -4.829 -8.628 544 HD2 LYS 69 HD2 LYS 69 1.927 -5.013 -7.249 545 HD3 LYS 69 HD3 LYS 69 0.717 -4.878 -5.974 546 HE2 LYS 69 HE2 LYS 69 1.777 -7.455 -7.125 547 HE3 LYS 69 HE3 LYS 69 2.269 -6.744 -5.595 548 HZ1 LYS 69 HZ1 LYS 69 0.681 -8.456 -5.206 549 HZ2 LYS 69 HZ2 LYS 69 -0.423 -7.762 -6.288 550 HZ3 LYS 69 HZ3 LYS 69 -0.043 -6.967 -4.839 551 H SER 70 H SER 70 -4.272 -6.718 -7.401 552 HA SER 70 HA SER 70 -5.984 -4.563 -6.376 553 HB2 SER 70 HB2 SER 70 -6.966 -5.764 -8.349 554 HB3 SER 70 HB3 SER 70 -6.887 -7.268 -7.434 555 HG SER 70 HG SER 70 -8.908 -6.569 -7.067 556 H LEU 71 H LEU 71 -6.998 -4.991 -4.316 557 HA LEU 71 HA LEU 71 -5.082 -6.271 -2.645 558 HB2 LEU 71 HB2 LEU 71 -6.233 -5.430 -0.765 559 HB3 LEU 71 HB3 LEU 71 -6.457 -4.237 -2.037 560 HG LEU 71 HG LEU 71 -8.516 -4.298 -0.993 561 HD11 LEU 71 HD11 LEU 71 -8.844 -6.261 -3.243 562 HD12 LEU 71 HD12 LEU 71 -10.119 -5.288 -2.512 563 HD13 LEU 71 HD13 LEU 71 -8.807 -4.504 -3.393 564 HD21 LEU 71 HD21 LEU 71 -9.725 -6.322 -0.337 565 HD22 LEU 71 HD22 LEU 71 -8.369 -7.300 -0.894 566 HD23 LEU 71 HD23 LEU 71 -8.158 -6.187 0.460 567 H LYS 72 H LYS 72 -5.111 -8.010 -1.376 568 HA LYS 72 HA LYS 72 -7.308 -9.644 -0.796 569 HB2 LYS 72 HB2 LYS 72 -6.964 -10.212 -3.257 570 HB3 LYS 72 HB3 LYS 72 -5.400 -10.872 -2.804 571 HG2 LYS 72 HG2 LYS 72 -6.466 -12.527 -1.401 572 HG3 LYS 72 HG3 LYS 72 -8.051 -11.830 -1.742 573 HD2 LYS 72 HD2 LYS 72 -7.659 -13.827 -3.091 574 HD3 LYS 72 HD3 LYS 72 -7.791 -12.393 -4.107 575 HE2 LYS 72 HE2 LYS 72 -5.410 -12.300 -4.388 576 HE3 LYS 72 HE3 LYS 72 -5.173 -13.590 -3.210 577 HZ1 LYS 72 HZ1 LYS 72 -5.001 -14.354 -5.529 578 HZ2 LYS 72 HZ2 LYS 72 -6.619 -13.909 -5.789 579 HZ3 LYS 72 HZ3 LYS 72 -6.242 -15.134 -4.675 580 H GLU 73 H GLU 73 -6.439 -11.757 0.270 581 HA GLU 73 HA GLU 73 -4.572 -11.129 2.232 582 HB2 GLU 73 HB2 GLU 73 -6.292 -13.042 2.142 583 HB3 GLU 73 HB3 GLU 73 -5.059 -13.944 1.273 584 HG2 GLU 73 HG2 GLU 73 -4.950 -14.573 3.557 585 HG3 GLU 73 HG3 GLU 73 -3.531 -13.589 3.201 586 H MET 74 H MET 74 -3.920 -13.776 -0.064 587 HA MET 74 HA MET 74 -1.220 -12.666 -0.437 588 HB2 MET 74 HB2 MET 74 -1.092 -14.863 0.540 589 HB3 MET 74 HB3 MET 74 -2.191 -15.522 -0.665 590 HG2 MET 74 HG2 MET 74 -0.532 -15.143 -2.403 591 HG3 MET 74 HG3 MET 74 0.558 -14.427 -1.219 592 HE1 MET 74 HE1 MET 74 1.411 -16.784 -3.184 593 HE2 MET 74 HE2 MET 74 2.484 -16.044 -1.996 594 HE3 MET 74 HE3 MET 74 2.330 -17.800 -2.072 595 H GLU 75 H GLU 75 -1.517 -11.331 -2.113 596 HA GLU 75 HA GLU 75 -2.995 -12.297 -4.443 597 HB2 GLU 75 HB2 GLU 75 -3.106 -9.935 -3.034 598 HB3 GLU 75 HB3 GLU 75 -2.141 -9.493 -4.431 599 HG2 GLU 75 HG2 GLU 75 -4.845 -10.810 -4.548 600 HG3 GLU 75 HG3 GLU 75 -4.552 -9.084 -4.728 601 H THR 76 H THR 76 -1.621 -10.071 -6.003 602 HA THR 76 HA THR 76 0.107 -11.828 -7.368 603 HB THR 76 HB THR 76 0.795 -9.517 -8.506 604 HG1 THR 76 HG1 THR 76 -1.829 -8.915 -7.605 605 HG21 THR 76 HG21 THR 76 -1.121 -9.825 -10.005 606 HG22 THR 76 HG22 THR 76 -1.892 -10.865 -8.808 607 HG23 THR 76 HG23 THR 76 -0.389 -11.371 -9.579 608 HA PRO 77 HA PRO 77 4.175 -12.092 -6.018 609 HB2 PRO 77 HB2 PRO 77 4.833 -10.348 -8.364 610 HB3 PRO 77 HB3 PRO 77 5.680 -11.776 -7.750 611 HG2 PRO 77 HG2 PRO 77 3.977 -11.980 -9.791 612 HG3 PRO 77 HG3 PRO 77 4.068 -13.239 -8.546 613 HD2 PRO 77 HD2 PRO 77 1.938 -11.266 -9.061 614 HD3 PRO 77 HD3 PRO 77 1.861 -12.811 -8.195 615 H LEU 78 H LEU 78 5.650 -11.250 -4.833 616 HA LEU 78 HA LEU 78 5.132 -8.819 -3.481 617 HB2 LEU 78 HB2 LEU 78 7.407 -10.769 -3.254 618 HB3 LEU 78 HB3 LEU 78 7.126 -9.444 -2.145 619 HG LEU 78 HG LEU 78 4.782 -10.526 -1.887 620 HD11 LEU 78 HD11 LEU 78 5.020 -12.185 -3.648 621 HD12 LEU 78 HD12 LEU 78 6.415 -12.883 -2.825 622 HD13 LEU 78 HD13 LEU 78 4.818 -12.972 -2.083 623 HD21 LEU 78 HD21 LEU 78 5.620 -11.909 -0.039 624 HD22 LEU 78 HD22 LEU 78 7.256 -11.752 -0.681 625 HD23 LEU 78 HD23 LEU 78 6.402 -10.327 -0.089 626 H SER 79 H SER 79 7.659 -9.768 -5.765 627 HA SER 79 HA SER 79 9.224 -7.468 -5.594 628 HB2 SER 79 HB2 SER 79 8.641 -9.049 -8.111 629 HB3 SER 79 HB3 SER 79 10.044 -8.021 -7.814 630 HG SER 79 HG SER 79 10.395 -9.498 -5.923 631 H ALA 80 H ALA 80 6.294 -8.119 -7.388 632 HA ALA 80 HA ALA 80 6.162 -5.546 -8.647 633 HB1 ALA 80 HB1 ALA 80 5.166 -7.516 -9.694 634 HB2 ALA 80 HB2 ALA 80 4.034 -7.666 -8.349 635 HB3 ALA 80 HB3 ALA 80 3.960 -6.262 -9.414 636 H LEU 81 H LEU 81 5.912 -6.279 -5.495 637 HA LEU 81 HA LEU 81 3.290 -5.392 -4.847 638 HB2 LEU 81 HB2 LEU 81 5.220 -6.873 -3.592 639 HB3 LEU 81 HB3 LEU 81 5.167 -5.414 -2.623 640 HG LEU 81 HG LEU 81 3.649 -6.826 -1.564 641 HD11 LEU 81 HD11 LEU 81 1.406 -5.966 -2.000 642 HD12 LEU 81 HD12 LEU 81 2.605 -4.673 -1.981 643 HD13 LEU 81 HD13 LEU 81 1.967 -5.261 -3.516 644 HD21 LEU 81 HD21 LEU 81 3.637 -8.609 -3.186 645 HD22 LEU 81 HD22 LEU 81 1.981 -8.192 -2.748 646 HD23 LEU 81 HD23 LEU 81 2.650 -7.648 -4.286 647 H GLY 82 H GLY 82 5.283 -3.324 -6.124 648 HA2 GLY 82 HA2 GLY 82 4.929 -0.927 -5.760 649 HA3 GLY 82 HA3 GLY 82 4.670 -1.299 -4.079 650 H MET 83 H MET 83 7.475 -2.449 -6.005 651 HA MET 83 HA MET 83 9.233 -1.478 -3.990 652 HB2 MET 83 HB2 MET 83 11.048 -2.047 -5.629 653 HB3 MET 83 HB3 MET 83 9.941 -3.365 -5.280 654 HG2 MET 83 HG2 MET 83 8.767 -2.928 -7.381 655 HG3 MET 83 HG3 MET 83 9.890 -1.615 -7.728 656 HE1 MET 83 HE1 MET 83 10.339 -2.747 -10.098 657 HE2 MET 83 HE2 MET 83 10.888 -4.412 -10.301 658 HE3 MET 83 HE3 MET 83 9.263 -4.085 -9.699 659 H GLN 84 H GLN 84 8.478 0.577 -3.844 660 HA GLN 84 HA GLN 84 10.428 2.430 -4.681 661 HB2 GLN 84 HB2 GLN 84 8.539 4.164 -5.256 662 HB3 GLN 84 HB3 GLN 84 9.150 3.129 -6.529 663 HG2 GLN 84 HG2 GLN 84 7.207 1.607 -6.065 664 HG3 GLN 84 HG3 GLN 84 6.582 2.859 -4.994 665 HE21 GLN 84 HE21 GLN 84 7.648 4.985 -6.732 666 HE22 GLN 84 HE22 GLN 84 6.580 5.063 -8.091 667 H ASN 85 H ASN 85 9.693 4.598 -3.190 668 HA ASN 85 HA ASN 85 9.091 3.545 -0.646 669 HB2 ASN 85 HB2 ASN 85 8.425 5.864 0.070 670 HB3 ASN 85 HB3 ASN 85 9.970 5.839 -0.780 671 HD21 ASN 85 HD21 ASN 85 7.812 7.891 -0.348 672 HD22 ASN 85 HD22 ASN 85 7.521 8.529 -1.933 673 H GLY 86 H GLY 86 7.414 2.306 -0.407 674 HA2 GLY 86 HA2 GLY 86 5.345 1.550 -0.143 675 HA3 GLY 86 HA3 GLY 86 4.835 3.228 -0.029 676 H CYS 87 H CYS 87 5.700 3.584 -2.957 677 HA CYS 87 HA CYS 87 4.729 3.553 -5.016 678 HB2 CYS 87 HB2 CYS 87 4.859 1.047 -4.632 679 HB3 CYS 87 HB3 CYS 87 3.174 1.141 -4.136 680 HG CYS 87 HG CYS 87 4.435 1.817 -7.247 681 H ARG 88 H ARG 88 1.939 2.463 -5.390 682 HA ARG 88 HA ARG 88 0.401 4.383 -3.803 683 HB2 ARG 88 HB2 ARG 88 -0.936 4.797 -5.973 684 HB3 ARG 88 HB3 ARG 88 0.602 5.621 -5.776 685 HG2 ARG 88 HG2 ARG 88 0.726 3.013 -7.139 686 HG3 ARG 88 HG3 ARG 88 -0.135 4.289 -7.999 687 HD2 ARG 88 HD2 ARG 88 2.670 4.509 -6.903 688 HD3 ARG 88 HD3 ARG 88 2.258 4.197 -8.588 689 HE ARG 88 HE ARG 88 0.937 6.528 -7.816 690 HH11 ARG 88 HH11 ARG 88 4.214 5.411 -8.358 691 HH12 ARG 88 HH12 ARG 88 4.828 7.001 -8.697 692 HH21 ARG 88 HH21 ARG 88 1.730 8.604 -8.296 693 HH22 ARG 88 HH22 ARG 88 3.424 8.809 -8.661 694 H VAL 89 H VAL 89 -1.714 3.760 -3.370 695 HA VAL 89 HA VAL 89 -2.887 1.381 -4.544 696 HB VAL 89 HB VAL 89 -3.434 0.421 -2.271 697 HG11 VAL 89 HG11 VAL 89 -0.539 0.381 -3.095 698 HG12 VAL 89 HG12 VAL 89 -1.318 -0.787 -2.029 699 HG13 VAL 89 HG13 VAL 89 -1.820 -0.661 -3.716 700 HG21 VAL 89 HG21 VAL 89 -2.865 2.330 -0.904 701 HG22 VAL 89 HG22 VAL 89 -1.909 0.926 -0.428 702 HG23 VAL 89 HG23 VAL 89 -1.176 2.204 -1.396 703 H MET 90 H MET 90 -4.885 2.088 -5.066 704 HA MET 90 HA MET 90 -6.194 3.636 -2.928 705 HB2 MET 90 HB2 MET 90 -7.098 5.198 -4.228 706 HB3 MET 90 HB3 MET 90 -5.603 4.912 -5.111 707 HG2 MET 90 HG2 MET 90 -6.857 3.402 -6.634 708 HG3 MET 90 HG3 MET 90 -8.327 3.831 -5.753 709 HE1 MET 90 HE1 MET 90 -8.020 6.901 -5.194 710 HE2 MET 90 HE2 MET 90 -8.793 7.595 -6.619 711 HE3 MET 90 HE3 MET 90 -9.488 6.173 -5.842 712 H LEU 91 H LEU 91 -8.098 3.130 -2.294 713 HA LEU 91 HA LEU 91 -9.309 0.785 -3.535 714 HB2 LEU 91 HB2 LEU 91 -10.266 0.204 -1.421 715 HB3 LEU 91 HB3 LEU 91 -8.539 0.374 -1.260 716 HG LEU 91 HG LEU 91 -9.321 1.282 0.710 717 HD11 LEU 91 HD11 LEU 91 -9.158 3.661 -1.109 718 HD12 LEU 91 HD12 LEU 91 -9.053 3.692 0.650 719 HD13 LEU 91 HD13 LEU 91 -7.815 2.861 -0.291 720 HD21 LEU 91 HD21 LEU 91 -11.693 1.208 0.198 721 HD22 LEU 91 HD22 LEU 91 -11.260 2.751 0.937 722 HD23 LEU 91 HD23 LEU 91 -11.538 2.653 -0.802 723 H ILE 92 H ILE 92 -11.297 0.899 -4.320 724 HA ILE 92 HA ILE 92 -12.771 3.343 -3.669 725 HB ILE 92 HB ILE 92 -13.085 1.689 -6.184 726 HG12 ILE 92 HG12 ILE 92 -11.732 4.371 -5.801 727 HG13 ILE 92 HG13 ILE 92 -10.888 2.847 -6.052 728 HG21 ILE 92 HG21 ILE 92 -15.111 2.886 -5.509 729 HG22 ILE 92 HG22 ILE 92 -14.197 4.393 -5.432 730 HG23 ILE 92 HG23 ILE 92 -14.423 3.576 -6.979 731 HD11 ILE 92 HD11 ILE 92 -11.913 2.655 -8.264 732 HD12 ILE 92 HD12 ILE 92 -12.745 4.189 -8.005 733 HD13 ILE 92 HD13 ILE 92 -10.985 4.145 -8.094 734 H GLY 93 H GLY 93 -14.232 3.027 -2.330 735 HA2 GLY 93 HA2 GLY 93 -16.536 1.575 -2.632 736 HA3 GLY 93 HA3 GLY 93 -15.440 0.513 -1.745 737 H GLU 94 H GLU 94 -14.797 1.040 0.322 738 HA GLU 94 HA GLU 94 -15.607 3.610 1.417 739 HB2 GLU 94 HB2 GLU 94 -17.511 2.129 1.897 740 HB3 GLU 94 HB3 GLU 94 -16.418 0.977 2.669 741 HG2 GLU 94 HG2 GLU 94 -15.828 2.686 4.329 742 HG3 GLU 94 HG3 GLU 94 -16.956 3.805 3.569 743 H LYS 95 H LYS 95 -14.054 4.400 2.723 744 HA LYS 95 HA LYS 95 -12.019 2.564 3.733 745 HB2 LYS 95 HB2 LYS 95 -12.141 5.476 3.230 746 HB3 LYS 95 HB3 LYS 95 -11.245 4.993 4.662 747 HG2 LYS 95 HG2 LYS 95 -9.897 3.469 3.228 748 HG3 LYS 95 HG3 LYS 95 -10.722 4.146 1.820 749 HD2 LYS 95 HD2 LYS 95 -9.897 6.363 2.393 750 HD3 LYS 95 HD3 LYS 95 -9.110 5.714 3.830 751 HE2 LYS 95 HE2 LYS 95 -7.689 4.292 2.366 752 HE3 LYS 95 HE3 LYS 95 -8.447 5.047 0.951 753 HZ1 LYS 95 HZ1 LYS 95 -6.933 6.508 3.052 754 HZ2 LYS 95 HZ2 LYS 95 -7.621 7.188 1.662 755 HZ3 LYS 95 HZ3 LYS 95 -6.334 6.098 1.522 756 H SER 96 H SER 96 -13.623 1.577 5.119 757 HA SER 96 HA SER 96 -15.071 2.844 7.110 758 HB2 SER 96 HB2 SER 96 -13.787 0.114 7.296 759 HB3 SER 96 HB3 SER 96 -15.211 0.677 8.172 760 HG SER 96 HG SER 96 -16.218 0.948 6.067 761 H ASN 97 H ASN 97 -14.620 3.638 9.074 762 HA ASN 97 HA ASN 97 -11.875 3.356 10.075 763 HB2 ASN 97 HB2 ASN 97 -12.165 5.426 11.271 764 HB3 ASN 97 HB3 ASN 97 -12.669 5.695 9.607 765 HD21 ASN 97 HD21 ASN 97 -13.627 5.598 12.907 766 HD22 ASN 97 HD22 ASN 97 -15.254 6.165 12.674 Start of MODEL 5 1 H1 MET 1 H1 MET 1 4.604 12.347 -7.919 2 H2 MET 1 H2 MET 1 4.719 13.885 -8.625 3 H3 MET 1 H3 MET 1 6.104 13.132 -8.000 4 HA MET 1 HA MET 1 4.509 12.070 -10.254 5 HB2 MET 1 HB2 MET 1 7.037 13.718 -10.252 6 HB3 MET 1 HB3 MET 1 6.525 12.755 -11.628 7 HG2 MET 1 HG2 MET 1 4.453 14.066 -11.753 8 HG3 MET 1 HG3 MET 1 5.016 15.053 -10.404 9 HE1 MET 1 HE1 MET 1 5.334 17.452 -13.505 10 HE2 MET 1 HE2 MET 1 4.099 16.221 -13.254 11 HE3 MET 1 HE3 MET 1 4.622 17.231 -11.907 12 H ALA 2 H ALA 2 7.979 12.155 -9.612 13 HA ALA 2 HA ALA 2 8.072 9.306 -10.164 14 HB1 ALA 2 HB1 ALA 2 10.475 9.627 -10.378 15 HB2 ALA 2 HB2 ALA 2 9.597 10.812 -11.345 16 HB3 ALA 2 HB3 ALA 2 10.318 11.288 -9.807 17 H LYS 3 H LYS 3 7.048 8.764 -8.085 18 HA LYS 3 HA LYS 3 8.664 9.108 -5.713 19 HB2 LYS 3 HB2 LYS 3 6.894 8.248 -4.518 20 HB3 LYS 3 HB3 LYS 3 6.041 8.860 -5.928 21 HG2 LYS 3 HG2 LYS 3 6.005 6.645 -6.898 22 HG3 LYS 3 HG3 LYS 3 6.928 6.016 -5.538 23 HD2 LYS 3 HD2 LYS 3 4.104 7.072 -5.508 24 HD3 LYS 3 HD3 LYS 3 4.652 5.421 -5.199 25 HE2 LYS 3 HE2 LYS 3 4.263 6.169 -3.074 26 HE3 LYS 3 HE3 LYS 3 5.983 6.491 -3.253 27 HZ1 LYS 3 HZ1 LYS 3 5.391 8.828 -3.796 28 HZ2 LYS 3 HZ2 LYS 3 4.949 8.361 -2.233 29 HZ3 LYS 3 HZ3 LYS 3 3.775 8.472 -3.441 30 H THR 4 H THR 4 8.617 7.056 -8.352 31 HA THR 4 HA THR 4 9.355 4.567 -7.416 32 HB THR 4 HB THR 4 10.711 5.809 -9.800 33 HG1 THR 4 HG1 THR 4 8.826 6.143 -10.696 34 HG21 THR 4 HG21 THR 4 11.289 3.504 -9.224 35 HG22 THR 4 HG22 THR 4 10.390 3.562 -10.740 36 HG23 THR 4 HG23 THR 4 9.583 3.060 -9.255 37 H GLU 5 H GLU 5 11.630 7.079 -8.548 38 HA GLU 5 HA GLU 5 13.786 5.891 -7.044 39 HB2 GLU 5 HB2 GLU 5 14.166 6.929 -9.275 40 HB3 GLU 5 HB3 GLU 5 13.735 8.492 -8.594 41 HG2 GLU 5 HG2 GLU 5 16.154 8.202 -8.771 42 HG3 GLU 5 HG3 GLU 5 15.636 8.401 -7.098 43 H GLU 6 H GLU 6 13.189 6.047 -4.945 44 HA GLU 6 HA GLU 6 13.445 8.607 -3.602 45 HB2 GLU 6 HB2 GLU 6 10.882 7.689 -4.309 46 HB3 GLU 6 HB3 GLU 6 11.082 7.230 -2.652 47 HG2 GLU 6 HG2 GLU 6 11.426 10.038 -3.646 48 HG3 GLU 6 HG3 GLU 6 9.957 9.384 -2.912 49 H MET 7 H MET 7 11.472 6.092 -2.557 50 HA MET 7 HA MET 7 11.510 4.614 -0.866 51 HB2 MET 7 HB2 MET 7 14.186 4.218 -2.131 52 HB3 MET 7 HB3 MET 7 13.809 3.356 -0.642 53 HG2 MET 7 HG2 MET 7 12.119 2.140 -1.606 54 HG3 MET 7 HG3 MET 7 11.920 3.269 -2.950 55 HE1 MET 7 HE1 MET 7 15.297 1.830 -1.532 56 HE2 MET 7 HE2 MET 7 14.182 0.475 -1.364 57 HE3 MET 7 HE3 MET 7 15.505 0.388 -2.526 58 H VAL 8 H VAL 8 11.783 7.191 0.058 59 HA VAL 8 HA VAL 8 12.704 6.475 2.694 60 HB VAL 8 HB VAL 8 13.944 8.835 2.806 61 HG11 VAL 8 HG11 VAL 8 15.274 6.329 1.792 62 HG12 VAL 8 HG12 VAL 8 16.094 7.697 2.545 63 HG13 VAL 8 HG13 VAL 8 14.948 6.734 3.477 64 HG21 VAL 8 HG21 VAL 8 13.612 9.435 0.481 65 HG22 VAL 8 HG22 VAL 8 15.330 9.237 0.823 66 HG23 VAL 8 HG23 VAL 8 14.451 7.974 -0.038 67 H GLN 9 H GLN 9 10.164 6.830 2.350 68 HA GLN 9 HA GLN 9 9.636 9.641 3.118 69 HB2 GLN 9 HB2 GLN 9 7.823 7.557 1.928 70 HB3 GLN 9 HB3 GLN 9 7.209 9.031 2.662 71 HG2 GLN 9 HG2 GLN 9 9.061 8.850 0.297 72 HG3 GLN 9 HG3 GLN 9 7.345 9.257 0.259 73 HE21 GLN 9 HE21 GLN 9 10.538 10.367 0.909 74 HE22 GLN 9 HE22 GLN 9 10.136 12.036 1.142 75 H THR 10 H THR 10 8.511 6.332 3.971 76 HA THR 10 HA THR 10 8.307 7.253 6.768 77 HB THR 10 HB THR 10 6.373 5.347 5.428 78 HG1 THR 10 HG1 THR 10 6.043 8.086 6.220 79 HG21 THR 10 HG21 THR 10 6.326 6.643 8.162 80 HG22 THR 10 HG22 THR 10 6.654 4.943 7.827 81 HG23 THR 10 HG23 THR 10 5.061 5.615 7.483 82 H GLU 11 H GLU 11 9.864 6.195 7.850 83 HA GLU 11 HA GLU 11 10.607 3.505 6.953 84 HB2 GLU 11 HB2 GLU 11 12.444 5.017 7.042 85 HB3 GLU 11 HB3 GLU 11 12.040 5.529 8.661 86 HG2 GLU 11 HG2 GLU 11 12.491 3.105 9.343 87 HG3 GLU 11 HG3 GLU 11 13.241 2.944 7.756 88 H GLU 12 H GLU 12 10.725 1.767 8.257 89 HA GLU 12 HA GLU 12 9.773 1.954 11.024 90 HB2 GLU 12 HB2 GLU 12 7.980 1.196 9.303 91 HB3 GLU 12 HB3 GLU 12 8.922 -0.282 9.183 92 HG2 GLU 12 HG2 GLU 12 8.591 0.106 11.910 93 HG3 GLU 12 HG3 GLU 12 7.037 0.549 11.201 94 H MET 13 H MET 13 9.938 -1.113 11.057 95 HA MET 13 HA MET 13 12.715 -1.100 11.783 96 HB2 MET 13 HB2 MET 13 10.717 -3.363 11.777 97 HB3 MET 13 HB3 MET 13 12.333 -3.443 12.466 98 HG2 MET 13 HG2 MET 13 11.682 -1.547 13.968 99 HG3 MET 13 HG3 MET 13 10.032 -1.742 13.382 100 HE1 MET 13 HE1 MET 13 9.733 -3.261 16.952 101 HE2 MET 13 HE2 MET 13 10.646 -1.838 16.448 102 HE3 MET 13 HE3 MET 13 9.043 -2.139 15.779 103 H GLU 14 H GLU 14 10.845 -2.734 9.181 104 HA GLU 14 HA GLU 14 13.458 -3.489 8.042 105 HB2 GLU 14 HB2 GLU 14 11.878 -5.360 8.479 106 HB3 GLU 14 HB3 GLU 14 10.768 -4.639 7.326 107 HG2 GLU 14 HG2 GLU 14 11.930 -6.392 6.216 108 HG3 GLU 14 HG3 GLU 14 12.533 -4.863 5.574 109 H THR 15 H THR 15 10.794 -1.405 7.563 110 HA THR 15 HA THR 15 10.851 -1.376 4.700 111 HB THR 15 HB THR 15 9.391 0.550 4.825 112 HG1 THR 15 HG1 THR 15 8.909 1.339 7.033 113 HG21 THR 15 HG21 THR 15 8.386 -1.624 5.308 114 HG22 THR 15 HG22 THR 15 7.603 -0.348 6.240 115 HG23 THR 15 HG23 THR 15 8.760 -1.425 7.020 116 HA PRO 16 HA PRO 16 14.279 1.338 4.316 117 HB2 PRO 16 HB2 PRO 16 14.164 1.720 1.648 118 HB3 PRO 16 HB3 PRO 16 14.646 0.178 2.357 119 HG2 PRO 16 HG2 PRO 16 12.178 0.890 0.944 120 HG3 PRO 16 HG3 PRO 16 12.869 -0.710 1.270 121 HD2 PRO 16 HD2 PRO 16 10.735 0.671 2.683 122 HD3 PRO 16 HD3 PRO 16 11.357 -0.991 2.935 123 H ARG 17 H ARG 17 11.954 2.461 5.297 124 HA ARG 17 HA ARG 17 10.744 4.356 5.500 125 HB2 ARG 17 HB2 ARG 17 13.223 5.199 5.272 126 HB3 ARG 17 HB3 ARG 17 12.691 5.773 3.700 127 HG2 ARG 17 HG2 ARG 17 11.120 7.249 4.669 128 HG3 ARG 17 HG3 ARG 17 11.311 6.510 6.263 129 HD2 ARG 17 HD2 ARG 17 13.417 8.038 4.742 130 HD3 ARG 17 HD3 ARG 17 12.512 8.628 6.139 131 HE ARG 17 HE ARG 17 13.977 6.174 6.580 132 HH11 ARG 17 HH11 ARG 17 14.052 9.667 6.774 133 HH12 ARG 17 HH12 ARG 17 15.330 9.695 7.950 134 HH21 ARG 17 HH21 ARG 17 15.637 6.193 8.122 135 HH22 ARG 17 HH22 ARG 17 16.253 7.720 8.698 136 H LEU 18 H LEU 18 9.458 2.822 3.957 137 HA LEU 18 HA LEU 18 8.986 4.269 1.438 138 HB2 LEU 18 HB2 LEU 18 8.926 1.419 2.160 139 HB3 LEU 18 HB3 LEU 18 7.677 1.992 1.081 140 HG LEU 18 HG LEU 18 9.201 2.599 -0.589 141 HD11 LEU 18 HD11 LEU 18 10.828 3.721 0.799 142 HD12 LEU 18 HD12 LEU 18 11.386 2.170 1.428 143 HD13 LEU 18 HD13 LEU 18 11.617 2.566 -0.274 144 HD21 LEU 18 HD21 LEU 18 8.812 0.201 -0.442 145 HD22 LEU 18 HD22 LEU 18 10.448 0.539 -1.007 146 HD23 LEU 18 HD23 LEU 18 10.178 0.035 0.662 147 H SER 19 H SER 19 7.263 5.434 1.302 148 HA SER 19 HA SER 19 4.905 4.777 2.921 149 HB2 SER 19 HB2 SER 19 6.015 6.789 3.688 150 HB3 SER 19 HB3 SER 19 5.975 7.457 2.047 151 HG SER 19 HG SER 19 4.139 7.651 3.951 152 H VAL 20 H VAL 20 3.105 4.490 1.897 153 HA VAL 20 HA VAL 20 3.030 4.778 -1.015 154 HB VAL 20 HB VAL 20 2.667 2.505 -0.013 155 HG11 VAL 20 HG11 VAL 20 1.472 3.190 1.978 156 HG12 VAL 20 HG12 VAL 20 0.128 3.765 0.990 157 HG13 VAL 20 HG13 VAL 20 0.515 2.045 1.036 158 HG21 VAL 20 HG21 VAL 20 0.706 1.936 -1.362 159 HG22 VAL 20 HG22 VAL 20 0.324 3.651 -1.525 160 HG23 VAL 20 HG23 VAL 20 1.804 3.006 -2.233 161 H ILE 21 H ILE 21 1.170 5.487 -2.027 162 HA ILE 21 HA ILE 21 -0.393 7.467 -0.542 163 HB ILE 21 HB ILE 21 -0.568 6.853 -3.476 164 HG12 ILE 21 HG12 ILE 21 1.456 8.692 -2.192 165 HG13 ILE 21 HG13 ILE 21 1.825 7.061 -2.770 166 HG21 ILE 21 HG21 ILE 21 -2.208 8.396 -2.560 167 HG22 ILE 21 HG22 ILE 21 -0.915 9.395 -1.895 168 HG23 ILE 21 HG23 ILE 21 -1.097 9.237 -3.642 169 HD11 ILE 21 HD11 ILE 21 0.846 9.371 -4.456 170 HD12 ILE 21 HD12 ILE 21 2.500 8.766 -4.379 171 HD13 ILE 21 HD13 ILE 21 1.219 7.751 -5.042 172 H VAL 22 H VAL 22 -2.130 6.647 0.435 173 HA VAL 22 HA VAL 22 -3.713 4.643 -1.016 174 HB VAL 22 HB VAL 22 -4.147 5.446 1.856 175 HG11 VAL 22 HG11 VAL 22 -5.976 4.311 0.757 176 HG12 VAL 22 HG12 VAL 22 -4.898 3.005 0.267 177 HG13 VAL 22 HG13 VAL 22 -5.245 3.267 1.976 178 HG21 VAL 22 HG21 VAL 22 -2.401 3.210 0.831 179 HG22 VAL 22 HG22 VAL 22 -1.847 4.658 1.669 180 HG23 VAL 22 HG23 VAL 22 -2.847 3.478 2.516 181 H THR 23 H THR 23 -5.653 5.175 -1.752 182 HA THR 23 HA THR 23 -6.792 7.706 -0.905 183 HB THR 23 HB THR 23 -5.677 7.100 -3.608 184 HG1 THR 23 HG1 THR 23 -5.192 8.783 -1.589 185 HG21 THR 23 HG21 THR 23 -8.031 7.650 -4.062 186 HG22 THR 23 HG22 THR 23 -6.965 8.954 -4.584 187 HG23 THR 23 HG23 THR 23 -7.881 9.111 -3.084 188 H HIS 24 H HIS 24 -8.880 7.584 -0.669 189 HA HIS 24 HA HIS 24 -10.414 5.870 -2.522 190 HB2 HIS 24 HB2 HIS 24 -10.841 5.134 -0.252 191 HB3 HIS 24 HB3 HIS 24 -11.078 6.788 0.294 192 HD1 HIS 24 HD1 HIS 24 -12.750 5.366 -2.798 193 HD2 HIS 24 HD2 HIS 24 -13.698 6.497 1.093 194 HE1 HIS 24 HE1 HIS 24 -15.260 5.311 -2.665 195 HE2 HIS 24 HE2 HIS 24 -15.820 6.053 -0.321 196 H SER 25 H SER 25 -11.095 7.100 -4.085 197 HA SER 25 HA SER 25 -12.059 8.811 -5.251 198 HB2 SER 25 HB2 SER 25 -12.710 9.753 -2.461 199 HB3 SER 25 HB3 SER 25 -13.187 10.664 -3.884 200 HG SER 25 HG SER 25 -14.855 9.375 -3.893 201 H ASN 26 H ASN 26 -10.490 10.227 -2.424 202 HA ASN 26 HA ASN 26 -8.399 11.521 -3.893 203 HB2 ASN 26 HB2 ASN 26 -10.621 13.214 -2.704 204 HB3 ASN 26 HB3 ASN 26 -9.023 13.844 -3.076 205 HD21 ASN 26 HD21 ASN 26 -12.095 12.935 -4.295 206 HD22 ASN 26 HD22 ASN 26 -11.818 13.400 -5.946 207 H GLU 27 H GLU 27 -10.335 11.046 -1.098 208 HA GLU 27 HA GLU 27 -8.963 11.799 1.087 209 HB2 GLU 27 HB2 GLU 27 -11.086 10.503 0.898 210 HB3 GLU 27 HB3 GLU 27 -10.133 9.060 0.621 211 HG2 GLU 27 HG2 GLU 27 -9.140 9.267 2.837 212 HG3 GLU 27 HG3 GLU 27 -10.097 10.723 3.127 213 H ARG 28 H ARG 28 -6.863 11.652 1.568 214 HA ARG 28 HA ARG 28 -5.356 9.377 0.450 215 HB2 ARG 28 HB2 ARG 28 -5.173 11.804 -0.566 216 HB3 ARG 28 HB3 ARG 28 -4.102 12.070 0.798 217 HG2 ARG 28 HG2 ARG 28 -3.732 9.857 -1.200 218 HG3 ARG 28 HG3 ARG 28 -2.977 11.443 -1.339 219 HD2 ARG 28 HD2 ARG 28 -2.608 9.481 0.920 220 HD3 ARG 28 HD3 ARG 28 -1.447 9.824 -0.364 221 HE ARG 28 HE ARG 28 -2.202 12.179 1.073 222 HH11 ARG 28 HH11 ARG 28 -0.087 9.384 1.135 223 HH12 ARG 28 HH12 ARG 28 1.056 10.123 2.219 224 HH21 ARG 28 HH21 ARG 28 -0.702 13.142 2.465 225 HH22 ARG 28 HH22 ARG 28 0.701 12.251 2.979 226 H TYR 29 H TYR 29 -4.261 8.237 1.831 227 HA TYR 29 HA TYR 29 -3.421 9.397 4.406 228 HB2 TYR 29 HB2 TYR 29 -4.663 6.721 3.812 229 HB3 TYR 29 HB3 TYR 29 -3.666 6.962 5.240 230 HD1 TYR 29 HD1 TYR 29 -6.763 8.017 3.543 231 HD2 TYR 29 HD2 TYR 29 -4.540 8.066 7.169 232 HE1 TYR 29 HE1 TYR 29 -8.727 8.898 4.724 233 HE2 TYR 29 HE2 TYR 29 -6.502 8.950 8.363 234 HH TYR 29 HH TYR 29 -9.636 9.107 6.882 235 H ASP 30 H ASP 30 -1.332 9.014 5.021 236 HA ASP 30 HA ASP 30 0.480 7.742 3.143 237 HB2 ASP 30 HB2 ASP 30 1.046 8.599 6.008 238 HB3 ASP 30 HB3 ASP 30 2.232 8.258 4.759 239 H LEU 31 H LEU 31 0.785 5.614 3.088 240 HA LEU 31 HA LEU 31 0.480 4.082 5.589 241 HB2 LEU 31 HB2 LEU 31 -1.116 3.864 3.311 242 HB3 LEU 31 HB3 LEU 31 0.009 2.531 3.177 243 HG LEU 31 HG LEU 31 -2.213 2.022 4.284 244 HD11 LEU 31 HD11 LEU 31 0.324 1.540 5.887 245 HD12 LEU 31 HD12 LEU 31 -1.179 0.629 6.034 246 HD13 LEU 31 HD13 LEU 31 -0.251 0.563 4.535 247 HD21 LEU 31 HD21 LEU 31 -2.405 2.670 6.650 248 HD22 LEU 31 HD22 LEU 31 -0.942 3.647 6.510 249 HD23 LEU 31 HD23 LEU 31 -2.385 4.081 5.592 250 H LEU 32 H LEU 32 1.884 2.102 5.629 251 HA LEU 32 HA LEU 32 4.301 2.707 4.073 252 HB2 LEU 32 HB2 LEU 32 5.071 3.360 6.078 253 HB3 LEU 32 HB3 LEU 32 3.878 2.418 6.964 254 HG LEU 32 HG LEU 32 6.177 0.991 5.683 255 HD11 LEU 32 HD11 LEU 32 7.182 2.906 6.826 256 HD12 LEU 32 HD12 LEU 32 6.286 2.507 8.291 257 HD13 LEU 32 HD13 LEU 32 7.521 1.403 7.686 258 HD21 LEU 32 HD21 LEU 32 4.642 0.615 8.261 259 HD22 LEU 32 HD22 LEU 32 4.380 -0.285 6.768 260 HD23 LEU 32 HD23 LEU 32 5.903 -0.452 7.642 261 H VAL 33 H VAL 33 5.558 1.040 3.338 262 HA VAL 33 HA VAL 33 4.132 -1.202 2.396 263 HB VAL 33 HB VAL 33 6.340 -1.940 1.490 264 HG11 VAL 33 HG11 VAL 33 6.798 -0.008 0.110 265 HG12 VAL 33 HG12 VAL 33 5.065 -0.288 0.280 266 HG13 VAL 33 HG13 VAL 33 5.844 0.998 1.200 267 HG21 VAL 33 HG21 VAL 33 7.458 0.352 3.083 268 HG22 VAL 33 HG22 VAL 33 7.728 -1.360 3.401 269 HG23 VAL 33 HG23 VAL 33 8.346 -0.631 1.920 270 H THR 34 H THR 34 4.548 -3.490 2.829 271 HA THR 34 HA THR 34 4.622 -3.769 5.703 272 HB THR 34 HB THR 34 4.133 -5.934 3.659 273 HG1 THR 34 HG1 THR 34 2.709 -3.833 3.875 274 HG21 THR 34 HG21 THR 34 3.333 -5.682 6.563 275 HG22 THR 34 HG22 THR 34 4.599 -6.734 5.931 276 HG23 THR 34 HG23 THR 34 2.915 -7.017 5.489 277 HA PRO 35 HA PRO 35 8.915 -4.624 5.591 278 HB2 PRO 35 HB2 PRO 35 9.224 -4.876 8.268 279 HB3 PRO 35 HB3 PRO 35 9.007 -3.310 7.478 280 HG2 PRO 35 HG2 PRO 35 6.993 -5.014 8.895 281 HG3 PRO 35 HG3 PRO 35 7.237 -3.259 8.986 282 HD2 PRO 35 HD2 PRO 35 5.295 -4.383 7.474 283 HD3 PRO 35 HD3 PRO 35 6.109 -2.875 7.015 284 H GLN 36 H GLN 36 10.343 -6.237 6.038 285 HA GLN 36 HA GLN 36 11.198 -8.216 6.782 286 HB2 GLN 36 HB2 GLN 36 8.381 -8.867 7.643 287 HB3 GLN 36 HB3 GLN 36 9.743 -9.964 7.826 288 HG2 GLN 36 HG2 GLN 36 10.873 -8.297 9.234 289 HG3 GLN 36 HG3 GLN 36 9.471 -7.240 9.079 290 HE21 GLN 36 HE21 GLN 36 9.078 -7.241 11.281 291 HE22 GLN 36 HE22 GLN 36 8.436 -8.620 12.107 292 H GLN 37 H GLN 37 9.815 -7.469 4.219 293 HA GLN 37 HA GLN 37 9.813 -10.125 2.985 294 HB2 GLN 37 HB2 GLN 37 8.533 -7.674 2.358 295 HB3 GLN 37 HB3 GLN 37 9.791 -7.897 1.151 296 HG2 GLN 37 HG2 GLN 37 7.617 -9.871 1.786 297 HG3 GLN 37 HG3 GLN 37 7.689 -8.807 0.380 298 HE21 GLN 37 HE21 GLN 37 8.989 -11.666 1.894 299 HE22 GLN 37 HE22 GLN 37 9.840 -12.257 0.503 300 H GLY 38 H GLY 38 11.119 -7.041 2.023 301 HA2 GLY 38 HA2 GLY 38 13.878 -7.915 2.459 302 HA3 GLY 38 HA3 GLY 38 13.430 -7.268 0.862 303 H ASN 39 H ASN 39 11.980 -5.403 1.035 304 HA ASN 39 HA ASN 39 11.354 -3.745 3.002 305 HB2 ASN 39 HB2 ASN 39 13.021 -1.844 2.864 306 HB3 ASN 39 HB3 ASN 39 13.547 -3.262 3.776 307 HD21 ASN 39 HD21 ASN 39 15.699 -2.803 3.583 308 HD22 ASN 39 HD22 ASN 39 16.569 -2.924 2.086 309 H SER 40 H SER 40 12.679 -4.105 -0.113 310 HA SER 40 HA SER 40 11.459 -1.718 -1.201 311 HB2 SER 40 HB2 SER 40 13.161 -3.924 -2.391 312 HB3 SER 40 HB3 SER 40 12.636 -2.479 -3.273 313 HG SER 40 HG SER 40 14.052 -2.291 -0.829 314 H GLU 41 H GLU 41 10.980 -5.137 -0.979 315 HA GLU 41 HA GLU 41 8.860 -5.000 -3.006 316 HB2 GLU 41 HB2 GLU 41 9.374 -7.419 -3.455 317 HB3 GLU 41 HB3 GLU 41 10.647 -6.310 -3.931 318 HG2 GLU 41 HG2 GLU 41 10.675 -7.843 -1.341 319 HG3 GLU 41 HG3 GLU 41 11.389 -8.446 -2.832 320 HA PRO 42 HA PRO 42 6.987 -5.766 1.078 321 HB2 PRO 42 HB2 PRO 42 4.589 -4.916 -0.434 322 HB3 PRO 42 HB3 PRO 42 5.220 -4.325 1.107 323 HG2 PRO 42 HG2 PRO 42 5.438 -2.865 -1.104 324 HG3 PRO 42 HG3 PRO 42 6.749 -2.917 0.090 325 HD2 PRO 42 HD2 PRO 42 6.517 -4.343 -2.534 326 HD3 PRO 42 HD3 PRO 42 7.927 -3.541 -1.807 327 H VAL 43 H VAL 43 5.097 -7.082 1.752 328 HA VAL 43 HA VAL 43 5.205 -9.583 0.343 329 HB VAL 43 HB VAL 43 3.879 -10.488 2.180 330 HG11 VAL 43 HG11 VAL 43 6.147 -8.751 3.128 331 HG12 VAL 43 HG12 VAL 43 5.470 -10.128 4.000 332 HG13 VAL 43 HG13 VAL 43 6.284 -10.377 2.457 333 HG21 VAL 43 HG21 VAL 43 3.826 -7.661 3.217 334 HG22 VAL 43 HG22 VAL 43 2.445 -8.582 2.621 335 HG23 VAL 43 HG23 VAL 43 3.272 -9.086 4.095 336 H VAL 44 H VAL 44 3.116 -10.863 0.082 337 HA VAL 44 HA VAL 44 1.396 -9.706 -1.771 338 HB VAL 44 HB VAL 44 -0.198 -11.597 -1.137 339 HG11 VAL 44 HG11 VAL 44 1.252 -13.299 -2.142 340 HG12 VAL 44 HG12 VAL 44 1.389 -11.753 -2.979 341 HG13 VAL 44 HG13 VAL 44 2.653 -12.265 -1.861 342 HG21 VAL 44 HG21 VAL 44 2.129 -12.344 0.638 343 HG22 VAL 44 HG22 VAL 44 0.514 -11.886 1.180 344 HG23 VAL 44 HG23 VAL 44 0.749 -13.377 0.266 345 H GLN 45 H GLN 45 1.293 -9.703 1.662 346 HA GLN 45 HA GLN 45 -1.400 -9.029 2.124 347 HB2 GLN 45 HB2 GLN 45 1.076 -8.466 3.740 348 HB3 GLN 45 HB3 GLN 45 -0.559 -8.186 4.317 349 HG2 GLN 45 HG2 GLN 45 0.254 -10.868 3.334 350 HG3 GLN 45 HG3 GLN 45 0.693 -10.354 4.962 351 HE21 GLN 45 HE21 GLN 45 -0.980 -12.538 4.287 352 HE22 GLN 45 HE22 GLN 45 -2.558 -12.218 4.931 353 H ASP 46 H ASP 46 1.377 -7.154 1.159 354 HA ASP 46 HA ASP 46 0.885 -4.794 2.591 355 HB2 ASP 46 HB2 ASP 46 3.069 -5.183 1.775 356 HB3 ASP 46 HB3 ASP 46 2.492 -5.400 0.131 357 H LEU 47 H LEU 47 0.035 -5.631 -0.746 358 HA LEU 47 HA LEU 47 -0.684 -3.078 -1.526 359 HB2 LEU 47 HB2 LEU 47 -1.695 -4.255 -3.395 360 HB3 LEU 47 HB3 LEU 47 -0.132 -4.898 -3.016 361 HG LEU 47 HG LEU 47 -1.843 -6.511 -1.560 362 HD11 LEU 47 HD11 LEU 47 -3.032 -5.989 -4.271 363 HD12 LEU 47 HD12 LEU 47 -3.497 -7.282 -3.165 364 HD13 LEU 47 HD13 LEU 47 -3.763 -5.599 -2.714 365 HD21 LEU 47 HD21 LEU 47 0.146 -7.230 -2.757 366 HD22 LEU 47 HD22 LEU 47 -1.244 -8.224 -3.187 367 HD23 LEU 47 HD23 LEU 47 -0.675 -6.979 -4.297 368 H ALA 48 H ALA 48 -2.660 -5.760 -0.276 369 HA ALA 48 HA ALA 48 -5.096 -4.288 -0.159 370 HB1 ALA 48 HB1 ALA 48 -5.890 -6.115 1.260 371 HB2 ALA 48 HB2 ALA 48 -5.056 -6.736 -0.163 372 HB3 ALA 48 HB3 ALA 48 -4.243 -6.728 1.401 373 H GLN 49 H GLN 49 -2.417 -4.841 1.959 374 HA GLN 49 HA GLN 49 -3.542 -4.132 4.407 375 HB2 GLN 49 HB2 GLN 49 -1.449 -5.327 4.283 376 HB3 GLN 49 HB3 GLN 49 -0.698 -4.026 3.398 377 HG2 GLN 49 HG2 GLN 49 0.175 -3.711 5.462 378 HG3 GLN 49 HG3 GLN 49 -1.207 -2.621 5.497 379 HE21 GLN 49 HE21 GLN 49 -3.146 -4.795 5.796 380 HE22 GLN 49 HE22 GLN 49 -3.009 -5.339 7.429 381 H LEU 50 H LEU 50 -1.671 -2.320 2.093 382 HA LEU 50 HA LEU 50 -1.391 0.052 3.534 383 HB2 LEU 50 HB2 LEU 50 -1.623 -0.434 0.569 384 HB3 LEU 50 HB3 LEU 50 -1.071 1.074 1.281 385 HG LEU 50 HG LEU 50 0.366 -1.583 1.593 386 HD11 LEU 50 HD11 LEU 50 2.029 -0.621 0.110 387 HD12 LEU 50 HD12 LEU 50 0.464 -0.746 -0.694 388 HD13 LEU 50 HD13 LEU 50 1.027 0.816 -0.099 389 HD21 LEU 50 HD21 LEU 50 1.152 1.200 2.404 390 HD22 LEU 50 HD22 LEU 50 0.675 -0.104 3.491 391 HD23 LEU 50 HD23 LEU 50 2.150 -0.248 2.534 392 H VAL 51 H VAL 51 -3.789 -0.761 1.043 393 HA VAL 51 HA VAL 51 -5.387 1.569 1.304 394 HB VAL 51 HB VAL 51 -5.323 -0.810 -0.181 395 HG11 VAL 51 HG11 VAL 51 -7.704 -1.285 -0.442 396 HG12 VAL 51 HG12 VAL 51 -7.135 -1.666 1.184 397 HG13 VAL 51 HG13 VAL 51 -8.059 -0.192 0.896 398 HG21 VAL 51 HG21 VAL 51 -5.302 1.419 -1.069 399 HG22 VAL 51 HG22 VAL 51 -6.684 0.536 -1.718 400 HG23 VAL 51 HG23 VAL 51 -6.917 1.719 -0.430 401 H GLU 52 H GLU 52 -5.379 -1.533 2.981 402 HA GLU 52 HA GLU 52 -7.870 -1.207 4.320 403 HB2 GLU 52 HB2 GLU 52 -6.905 -3.405 3.931 404 HB3 GLU 52 HB3 GLU 52 -5.489 -2.991 4.883 405 HG2 GLU 52 HG2 GLU 52 -6.873 -2.851 6.885 406 HG3 GLU 52 HG3 GLU 52 -8.299 -3.252 5.929 407 H GLU 53 H GLU 53 -4.481 -0.732 5.290 408 HA GLU 53 HA GLU 53 -5.170 -0.217 8.021 409 HB2 GLU 53 HB2 GLU 53 -3.065 -1.259 7.589 410 HB3 GLU 53 HB3 GLU 53 -2.583 0.023 6.489 411 HG2 GLU 53 HG2 GLU 53 -2.218 1.541 8.227 412 HG3 GLU 53 HG3 GLU 53 -3.131 0.573 9.382 413 H ALA 54 H ALA 54 -4.850 1.709 5.180 414 HA ALA 54 HA ALA 54 -4.096 4.156 6.237 415 HB1 ALA 54 HB1 ALA 54 -6.086 3.683 4.027 416 HB2 ALA 54 HB2 ALA 54 -5.192 5.173 4.325 417 HB3 ALA 54 HB3 ALA 54 -4.332 3.710 3.846 418 H THR 55 H THR 55 -7.410 2.802 6.028 419 HA THR 55 HA THR 55 -8.166 4.901 7.954 420 HB THR 55 HB THR 55 -10.569 4.027 7.159 421 HG1 THR 55 HG1 THR 55 -10.350 2.828 5.442 422 HG21 THR 55 HG21 THR 55 -8.857 6.023 5.670 423 HG22 THR 55 HG22 THR 55 -9.798 6.349 7.125 424 HG23 THR 55 HG23 THR 55 -10.617 5.937 5.618 425 H GLY 56 H GLY 56 -7.541 1.606 7.728 426 HA2 GLY 56 HA2 GLY 56 -7.702 0.018 9.429 427 HA3 GLY 56 HA3 GLY 56 -8.721 1.130 10.336 428 H VAL 57 H VAL 57 -9.450 0.535 7.050 429 HA VAL 57 HA VAL 57 -12.003 -0.618 7.857 430 HB VAL 57 HB VAL 57 -12.118 1.377 6.485 431 HG11 VAL 57 HG11 VAL 57 -9.982 1.237 5.374 432 HG12 VAL 57 HG12 VAL 57 -10.536 -0.151 4.436 433 HG13 VAL 57 HG13 VAL 57 -11.278 1.430 4.195 434 HG21 VAL 57 HG21 VAL 57 -13.870 -0.252 6.137 435 HG22 VAL 57 HG22 VAL 57 -13.495 0.583 4.630 436 HG23 VAL 57 HG23 VAL 57 -12.902 -1.057 4.901 437 HA PRO 58 HA PRO 58 -10.821 -4.694 6.638 438 HB2 PRO 58 HB2 PRO 58 -13.261 -5.759 6.233 439 HB3 PRO 58 HB3 PRO 58 -12.680 -5.326 7.848 440 HG2 PRO 58 HG2 PRO 58 -14.370 -3.684 5.967 441 HG3 PRO 58 HG3 PRO 58 -14.711 -4.110 7.664 442 HD2 PRO 58 HD2 PRO 58 -13.652 -1.757 7.089 443 HD3 PRO 58 HD3 PRO 58 -13.018 -2.688 8.466 444 H LEU 59 H LEU 59 -10.724 -6.122 4.996 445 HA LEU 59 HA LEU 59 -10.314 -5.334 2.431 446 HB2 LEU 59 HB2 LEU 59 -9.403 -7.351 2.979 447 HB3 LEU 59 HB3 LEU 59 -10.866 -7.938 3.749 448 HG LEU 59 HG LEU 59 -11.818 -8.083 1.352 449 HD11 LEU 59 HD11 LEU 59 -8.870 -7.984 0.742 450 HD12 LEU 59 HD12 LEU 59 -10.145 -8.448 -0.386 451 HD13 LEU 59 HD13 LEU 59 -10.079 -6.801 0.242 452 HD21 LEU 59 HD21 LEU 59 -9.606 -9.922 2.253 453 HD22 LEU 59 HD22 LEU 59 -11.300 -10.014 2.735 454 HD23 LEU 59 HD23 LEU 59 -10.844 -10.307 1.057 455 HA PRO 60 HA PRO 60 -14.710 -6.814 1.009 456 HB2 PRO 60 HB2 PRO 60 -16.433 -6.327 3.332 457 HB3 PRO 60 HB3 PRO 60 -16.352 -7.731 2.265 458 HG2 PRO 60 HG2 PRO 60 -15.456 -7.844 4.767 459 HG3 PRO 60 HG3 PRO 60 -14.634 -8.711 3.461 460 HD2 PRO 60 HD2 PRO 60 -13.927 -6.093 4.738 461 HD3 PRO 60 HD3 PRO 60 -12.866 -7.459 4.342 462 H PHE 61 H PHE 61 -14.063 -4.108 3.061 463 HA PHE 61 HA PHE 61 -16.304 -2.570 1.992 464 HB2 PHE 61 HB2 PHE 61 -14.495 -2.328 4.300 465 HB3 PHE 61 HB3 PHE 61 -15.011 -0.816 3.561 466 HD1 PHE 61 HD1 PHE 61 -17.377 -0.195 3.551 467 HD2 PHE 61 HD2 PHE 61 -16.029 -3.739 5.477 468 HE1 PHE 61 HE1 PHE 61 -19.519 -0.351 4.752 469 HE2 PHE 61 HE2 PHE 61 -18.167 -3.906 6.681 470 HZ PHE 61 HZ PHE 61 -19.915 -2.210 6.319 471 H GLN 62 H GLN 62 -12.919 -2.941 1.469 472 HA GLN 62 HA GLN 62 -13.000 -0.522 -0.192 473 HB2 GLN 62 HB2 GLN 62 -10.558 -0.489 -0.097 474 HB3 GLN 62 HB3 GLN 62 -11.264 -0.266 1.475 475 HG2 GLN 62 HG2 GLN 62 -10.882 -3.008 1.243 476 HG3 GLN 62 HG3 GLN 62 -9.458 -2.278 0.496 477 HE21 GLN 62 HE21 GLN 62 -9.697 -3.791 2.952 478 HE22 GLN 62 HE22 GLN 62 -9.116 -2.763 4.213 479 H LYS 63 H LYS 63 -12.267 -0.659 -2.319 480 HA LYS 63 HA LYS 63 -11.508 -3.347 -3.255 481 HB2 LYS 63 HB2 LYS 63 -13.714 -2.190 -4.100 482 HB3 LYS 63 HB3 LYS 63 -12.620 -1.213 -5.065 483 HG2 LYS 63 HG2 LYS 63 -12.733 -4.222 -5.166 484 HG3 LYS 63 HG3 LYS 63 -13.613 -3.157 -6.259 485 HD2 LYS 63 HD2 LYS 63 -11.411 -2.158 -6.914 486 HD3 LYS 63 HD3 LYS 63 -10.626 -3.419 -5.961 487 HE2 LYS 63 HE2 LYS 63 -10.676 -4.071 -8.285 488 HE3 LYS 63 HE3 LYS 63 -11.738 -5.123 -7.352 489 HZ1 LYS 63 HZ1 LYS 63 -12.694 -2.766 -8.891 490 HZ2 LYS 63 HZ2 LYS 63 -13.641 -3.972 -8.166 491 HZ3 LYS 63 HZ3 LYS 63 -12.672 -4.347 -9.505 492 H LEU 64 H LEU 64 -9.314 -3.059 -2.913 493 HA LEU 64 HA LEU 64 -8.037 -0.591 -3.625 494 HB2 LEU 64 HB2 LEU 64 -7.207 -1.609 -1.660 495 HB3 LEU 64 HB3 LEU 64 -7.121 -3.182 -2.428 496 HG LEU 64 HG LEU 64 -4.952 -1.880 -1.853 497 HD11 LEU 64 HD11 LEU 64 -5.308 -3.125 -4.570 498 HD12 LEU 64 HD12 LEU 64 -3.769 -2.863 -3.748 499 HD13 LEU 64 HD13 LEU 64 -4.954 -3.979 -3.067 500 HD21 LEU 64 HD21 LEU 64 -4.104 -0.475 -3.652 501 HD22 LEU 64 HD22 LEU 64 -5.662 -0.587 -4.472 502 HD23 LEU 64 HD23 LEU 64 -5.544 0.217 -2.907 503 H ILE 65 H ILE 65 -7.502 -0.085 -5.513 504 HA ILE 65 HA ILE 65 -6.261 -2.053 -7.331 505 HB ILE 65 HB ILE 65 -7.800 0.442 -8.011 506 HG12 ILE 65 HG12 ILE 65 -8.638 -2.455 -8.353 507 HG13 ILE 65 HG13 ILE 65 -9.307 -1.320 -7.186 508 HG21 ILE 65 HG21 ILE 65 -6.056 -0.055 -9.628 509 HG22 ILE 65 HG22 ILE 65 -6.642 -1.709 -9.796 510 HG23 ILE 65 HG23 ILE 65 -7.637 -0.360 -10.347 511 HD11 ILE 65 HD11 ILE 65 -9.498 -1.095 -10.181 512 HD12 ILE 65 HD12 ILE 65 -10.786 -1.588 -9.083 513 HD13 ILE 65 HD13 ILE 65 -10.155 0.057 -9.019 514 H PHE 66 H PHE 66 -4.114 -1.543 -6.995 515 HA PHE 66 HA PHE 66 -3.270 0.688 -8.450 516 HB2 PHE 66 HB2 PHE 66 -3.503 1.272 -5.727 517 HB3 PHE 66 HB3 PHE 66 -1.778 1.120 -6.078 518 HD1 PHE 66 HD1 PHE 66 -1.363 2.149 -8.674 519 HD2 PHE 66 HD2 PHE 66 -4.160 3.473 -5.760 520 HE1 PHE 66 HE1 PHE 66 -1.352 4.388 -9.690 521 HE2 PHE 66 HE2 PHE 66 -4.160 5.715 -6.774 522 HZ PHE 66 HZ PHE 66 -2.804 6.134 -8.829 523 H LYS 67 H LYS 67 -1.125 0.540 -9.103 524 HA LYS 67 HA LYS 67 0.833 -0.431 -9.612 525 HB2 LYS 67 HB2 LYS 67 1.833 -2.038 -7.759 526 HB3 LYS 67 HB3 LYS 67 1.877 -0.303 -7.595 527 HG2 LYS 67 HG2 LYS 67 0.311 -0.290 -5.888 528 HG3 LYS 67 HG3 LYS 67 -0.358 -1.884 -6.285 529 HD2 LYS 67 HD2 LYS 67 1.731 -2.931 -5.528 530 HD3 LYS 67 HD3 LYS 67 2.433 -1.349 -5.183 531 HE2 LYS 67 HE2 LYS 67 0.202 -1.199 -3.708 532 HE3 LYS 67 HE3 LYS 67 0.441 -2.944 -3.683 533 HZ1 LYS 67 HZ1 LYS 67 2.306 -0.856 -2.708 534 HZ2 LYS 67 HZ2 LYS 67 2.784 -2.457 -2.953 535 HZ3 LYS 67 HZ3 LYS 67 1.587 -2.102 -1.814 536 H GLY 68 H GLY 68 -1.573 -1.690 -10.445 537 HA2 GLY 68 HA2 GLY 68 -2.322 -3.636 -11.416 538 HA3 GLY 68 HA3 GLY 68 -0.639 -4.167 -11.425 539 H LYS 69 H LYS 69 -1.743 -3.264 -8.437 540 HA LYS 69 HA LYS 69 -2.203 -6.039 -7.633 541 HB2 LYS 69 HB2 LYS 69 -0.966 -3.696 -6.292 542 HB3 LYS 69 HB3 LYS 69 -1.917 -4.779 -5.287 543 HG2 LYS 69 HG2 LYS 69 0.347 -5.457 -5.160 544 HG3 LYS 69 HG3 LYS 69 -0.523 -6.660 -6.110 545 HD2 LYS 69 HD2 LYS 69 0.334 -5.684 -8.160 546 HD3 LYS 69 HD3 LYS 69 1.160 -4.428 -7.229 547 HE2 LYS 69 HE2 LYS 69 2.805 -6.038 -7.700 548 HE3 LYS 69 HE3 LYS 69 2.338 -6.304 -6.024 549 HZ1 LYS 69 HZ1 LYS 69 2.422 -8.403 -6.959 550 HZ2 LYS 69 HZ2 LYS 69 1.658 -7.918 -8.392 551 HZ3 LYS 69 HZ3 LYS 69 0.764 -8.035 -6.952 552 H SER 70 H SER 70 -4.139 -6.572 -7.141 553 HA SER 70 HA SER 70 -5.935 -4.488 -6.160 554 HB2 SER 70 HB2 SER 70 -6.538 -6.980 -7.780 555 HB3 SER 70 HB3 SER 70 -7.793 -5.995 -7.022 556 HG SER 70 HG SER 70 -6.064 -4.475 -8.438 557 H LEU 71 H LEU 71 -7.181 -5.034 -4.302 558 HA LEU 71 HA LEU 71 -5.287 -6.128 -2.520 559 HB2 LEU 71 HB2 LEU 71 -6.584 -5.330 -0.762 560 HB3 LEU 71 HB3 LEU 71 -6.939 -4.255 -2.114 561 HG LEU 71 HG LEU 71 -8.713 -6.531 -1.222 562 HD11 LEU 71 HD11 LEU 71 -10.169 -4.780 -0.351 563 HD12 LEU 71 HD12 LEU 71 -8.599 -4.789 0.452 564 HD13 LEU 71 HD13 LEU 71 -8.958 -3.568 -0.769 565 HD21 LEU 71 HD21 LEU 71 -9.213 -4.305 -3.197 566 HD22 LEU 71 HD22 LEU 71 -8.964 -6.005 -3.596 567 HD23 LEU 71 HD23 LEU 71 -10.387 -5.513 -2.678 568 H LYS 72 H LYS 72 -5.066 -7.846 -1.406 569 HA LYS 72 HA LYS 72 -7.126 -9.532 -0.490 570 HB2 LYS 72 HB2 LYS 72 -5.769 -10.307 -2.973 571 HB3 LYS 72 HB3 LYS 72 -5.621 -11.518 -1.706 572 HG2 LYS 72 HG2 LYS 72 -7.982 -11.747 -1.539 573 HG3 LYS 72 HG3 LYS 72 -8.251 -10.338 -2.567 574 HD2 LYS 72 HD2 LYS 72 -8.613 -12.408 -3.803 575 HD3 LYS 72 HD3 LYS 72 -7.234 -11.517 -4.451 576 HE2 LYS 72 HE2 LYS 72 -5.782 -12.988 -2.985 577 HE3 LYS 72 HE3 LYS 72 -7.217 -13.979 -2.726 578 HZ1 LYS 72 HZ1 LYS 72 -5.857 -13.417 -5.301 579 HZ2 LYS 72 HZ2 LYS 72 -7.368 -14.181 -5.185 580 HZ3 LYS 72 HZ3 LYS 72 -5.995 -14.917 -4.514 581 H GLU 73 H GLU 73 -6.062 -11.381 0.810 582 HA GLU 73 HA GLU 73 -3.948 -10.199 2.322 583 HB2 GLU 73 HB2 GLU 73 -4.052 -12.175 3.738 584 HB3 GLU 73 HB3 GLU 73 -5.666 -11.568 3.417 585 HG2 GLU 73 HG2 GLU 73 -4.387 -13.923 2.043 586 HG3 GLU 73 HG3 GLU 73 -5.530 -14.017 3.381 587 H MET 74 H MET 74 -4.164 -12.898 0.054 588 HA MET 74 HA MET 74 -1.250 -12.696 -0.266 589 HB2 MET 74 HB2 MET 74 -1.181 -15.173 -0.647 590 HB3 MET 74 HB3 MET 74 -1.574 -14.711 1.001 591 HG2 MET 74 HG2 MET 74 -3.932 -15.159 0.574 592 HG3 MET 74 HG3 MET 74 -3.550 -15.602 -1.089 593 HE1 MET 74 HE1 MET 74 -5.213 -17.515 0.816 594 HE2 MET 74 HE2 MET 74 -4.767 -17.917 -0.842 595 HE3 MET 74 HE3 MET 74 -4.453 -19.066 0.459 596 H GLU 75 H GLU 75 -1.894 -11.267 -2.009 597 HA GLU 75 HA GLU 75 -3.427 -12.490 -4.139 598 HB2 GLU 75 HB2 GLU 75 -4.075 -10.287 -3.258 599 HB3 GLU 75 HB3 GLU 75 -2.538 -9.636 -3.792 600 HG2 GLU 75 HG2 GLU 75 -4.370 -9.058 -5.300 601 HG3 GLU 75 HG3 GLU 75 -3.128 -10.023 -6.102 602 H THR 76 H THR 76 -1.255 -9.954 -5.038 603 HA THR 76 HA THR 76 -0.142 -11.881 -6.960 604 HB THR 76 HB THR 76 0.282 -9.766 -8.351 605 HG1 THR 76 HG1 THR 76 -1.808 -8.421 -7.367 606 HG21 THR 76 HG21 THR 76 -2.541 -10.661 -7.752 607 HG22 THR 76 HG22 THR 76 -1.427 -11.432 -8.881 608 HG23 THR 76 HG23 THR 76 -2.021 -9.803 -9.202 609 HA PRO 77 HA PRO 77 4.159 -12.042 -6.401 610 HB2 PRO 77 HB2 PRO 77 4.241 -9.919 -8.514 611 HB3 PRO 77 HB3 PRO 77 5.280 -11.336 -8.312 612 HG2 PRO 77 HG2 PRO 77 3.100 -11.280 -9.969 613 HG3 PRO 77 HG3 PRO 77 3.737 -12.755 -9.225 614 HD2 PRO 77 HD2 PRO 77 1.203 -11.481 -8.752 615 HD3 PRO 77 HD3 PRO 77 1.843 -12.956 -8.002 616 H LEU 78 H LEU 78 5.320 -11.311 -4.870 617 HA LEU 78 HA LEU 78 4.920 -8.863 -3.529 618 HB2 LEU 78 HB2 LEU 78 7.083 -10.934 -3.261 619 HB3 LEU 78 HB3 LEU 78 6.847 -9.606 -2.147 620 HG LEU 78 HG LEU 78 4.475 -10.550 -1.887 621 HD11 LEU 78 HD11 LEU 78 4.302 -12.978 -2.197 622 HD12 LEU 78 HD12 LEU 78 4.550 -12.142 -3.730 623 HD13 LEU 78 HD13 LEU 78 5.892 -12.988 -2.960 624 HD21 LEU 78 HD21 LEU 78 5.237 -12.087 -0.128 625 HD22 LEU 78 HD22 LEU 78 6.866 -12.026 -0.798 626 HD23 LEU 78 HD23 LEU 78 6.137 -10.571 -0.117 627 H SER 79 H SER 79 7.382 -9.916 -5.827 628 HA SER 79 HA SER 79 9.166 -7.792 -5.434 629 HB2 SER 79 HB2 SER 79 8.588 -9.157 -8.073 630 HB3 SER 79 HB3 SER 79 10.085 -8.354 -7.596 631 HG SER 79 HG SER 79 9.664 -10.111 -5.725 632 H ALA 80 H ALA 80 6.267 -8.059 -7.327 633 HA ALA 80 HA ALA 80 6.484 -5.440 -8.495 634 HB1 ALA 80 HB1 ALA 80 4.159 -7.359 -8.468 635 HB2 ALA 80 HB2 ALA 80 4.308 -5.915 -9.470 636 HB3 ALA 80 HB3 ALA 80 5.410 -7.273 -9.708 637 H LEU 81 H LEU 81 6.000 -6.246 -5.409 638 HA LEU 81 HA LEU 81 3.373 -5.319 -4.850 639 HB2 LEU 81 HB2 LEU 81 5.197 -6.875 -3.533 640 HB3 LEU 81 HB3 LEU 81 5.153 -5.429 -2.550 641 HG LEU 81 HG LEU 81 3.573 -6.925 -1.596 642 HD11 LEU 81 HD11 LEU 81 2.729 -4.648 -1.788 643 HD12 LEU 81 HD12 LEU 81 2.040 -5.019 -3.369 644 HD13 LEU 81 HD13 LEU 81 1.423 -5.824 -1.926 645 HD21 LEU 81 HD21 LEU 81 1.832 -8.031 -2.894 646 HD22 LEU 81 HD22 LEU 81 2.468 -7.321 -4.378 647 HD23 LEU 81 HD23 LEU 81 3.440 -8.476 -3.466 648 H GLY 82 H GLY 82 5.421 -3.265 -5.986 649 HA2 GLY 82 HA2 GLY 82 4.995 -0.896 -5.626 650 HA3 GLY 82 HA3 GLY 82 4.700 -1.271 -3.953 651 H MET 83 H MET 83 7.570 -2.392 -5.786 652 HA MET 83 HA MET 83 9.272 -1.303 -3.791 653 HB2 MET 83 HB2 MET 83 11.119 -1.935 -5.277 654 HB3 MET 83 HB3 MET 83 9.943 -3.227 -5.142 655 HG2 MET 83 HG2 MET 83 10.217 -1.329 -7.464 656 HG3 MET 83 HG3 MET 83 10.787 -2.993 -7.414 657 HE1 MET 83 HE1 MET 83 8.986 -1.908 -9.772 658 HE2 MET 83 HE2 MET 83 9.540 -3.579 -9.651 659 HE3 MET 83 HE3 MET 83 7.836 -3.234 -9.951 660 H GLN 84 H GLN 84 8.448 0.754 -3.665 661 HA GLN 84 HA GLN 84 10.312 2.648 -4.648 662 HB2 GLN 84 HB2 GLN 84 8.325 4.247 -5.312 663 HB3 GLN 84 HB3 GLN 84 9.020 3.179 -6.513 664 HG2 GLN 84 HG2 GLN 84 7.136 1.554 -5.736 665 HG3 GLN 84 HG3 GLN 84 6.388 3.032 -5.134 666 HE21 GLN 84 HE21 GLN 84 5.774 4.627 -6.611 667 HE22 GLN 84 HE22 GLN 84 5.574 4.299 -8.295 668 H ASN 85 H ASN 85 9.565 4.849 -3.228 669 HA ASN 85 HA ASN 85 8.967 3.862 -0.658 670 HB2 ASN 85 HB2 ASN 85 8.398 6.099 0.093 671 HB3 ASN 85 HB3 ASN 85 9.792 6.224 -0.983 672 HD21 ASN 85 HD21 ASN 85 9.360 7.036 -3.169 673 HD22 ASN 85 HD22 ASN 85 8.043 8.122 -3.402 674 H GLY 86 H GLY 86 7.348 2.631 -0.325 675 HA2 GLY 86 HA2 GLY 86 5.327 1.757 -0.095 676 HA3 GLY 86 HA3 GLY 86 4.719 3.403 -0.047 677 H CYS 87 H CYS 87 5.648 3.683 -2.966 678 HA CYS 87 HA CYS 87 4.684 3.590 -5.024 679 HB2 CYS 87 HB2 CYS 87 4.806 1.066 -4.498 680 HB3 CYS 87 HB3 CYS 87 3.082 1.219 -4.168 681 HG CYS 87 HG CYS 87 4.626 0.881 -7.059 682 H ARG 88 H ARG 88 1.901 2.438 -5.362 683 HA ARG 88 HA ARG 88 0.352 4.422 -3.846 684 HB2 ARG 88 HB2 ARG 88 -0.187 3.819 -6.755 685 HB3 ARG 88 HB3 ARG 88 -0.870 5.107 -5.779 686 HG2 ARG 88 HG2 ARG 88 0.629 6.330 -6.946 687 HG3 ARG 88 HG3 ARG 88 1.693 5.815 -5.635 688 HD2 ARG 88 HD2 ARG 88 2.869 5.449 -7.675 689 HD3 ARG 88 HD3 ARG 88 2.368 3.869 -7.075 690 HE ARG 88 HE ARG 88 0.696 5.219 -9.073 691 HH11 ARG 88 HH11 ARG 88 2.886 2.615 -8.243 692 HH12 ARG 88 HH12 ARG 88 2.554 1.690 -9.675 693 HH21 ARG 88 HH21 ARG 88 0.247 4.016 -10.966 694 HH22 ARG 88 HH22 ARG 88 1.039 2.485 -11.224 695 H VAL 89 H VAL 89 -1.753 3.766 -3.342 696 HA VAL 89 HA VAL 89 -2.893 1.332 -4.453 697 HB VAL 89 HB VAL 89 -3.493 0.517 -2.111 698 HG11 VAL 89 HG11 VAL 89 -1.947 -0.706 -3.517 699 HG12 VAL 89 HG12 VAL 89 -0.617 0.321 -2.979 700 HG13 VAL 89 HG13 VAL 89 -1.419 -0.755 -1.836 701 HG21 VAL 89 HG21 VAL 89 -1.149 2.254 -1.365 702 HG22 VAL 89 HG22 VAL 89 -2.825 2.487 -0.866 703 HG23 VAL 89 HG23 VAL 89 -1.930 1.073 -0.312 704 H MET 90 H MET 90 -4.845 2.111 -5.095 705 HA MET 90 HA MET 90 -6.240 3.576 -2.968 706 HB2 MET 90 HB2 MET 90 -6.875 5.298 -4.144 707 HB3 MET 90 HB3 MET 90 -5.524 4.872 -5.189 708 HG2 MET 90 HG2 MET 90 -7.068 3.668 -6.667 709 HG3 MET 90 HG3 MET 90 -8.400 4.102 -5.589 710 HE1 MET 90 HE1 MET 90 -9.068 6.320 -8.761 711 HE2 MET 90 HE2 MET 90 -8.409 4.684 -8.731 712 HE3 MET 90 HE3 MET 90 -9.740 5.117 -7.659 713 H LEU 91 H LEU 91 -8.166 3.107 -2.464 714 HA LEU 91 HA LEU 91 -9.330 0.763 -3.747 715 HB2 LEU 91 HB2 LEU 91 -10.345 0.194 -1.632 716 HB3 LEU 91 HB3 LEU 91 -8.617 0.352 -1.457 717 HG LEU 91 HG LEU 91 -9.415 1.284 0.501 718 HD11 LEU 91 HD11 LEU 91 -7.863 2.817 -0.472 719 HD12 LEU 91 HD12 LEU 91 -9.158 3.627 -1.354 720 HD13 LEU 91 HD13 LEU 91 -9.113 3.698 0.407 721 HD21 LEU 91 HD21 LEU 91 -11.782 1.260 -0.036 722 HD22 LEU 91 HD22 LEU 91 -11.324 2.806 0.679 723 HD23 LEU 91 HD23 LEU 91 -11.587 2.682 -1.061 724 H ILE 92 H ILE 92 -11.300 0.882 -4.602 725 HA ILE 92 HA ILE 92 -12.762 3.355 -4.037 726 HB ILE 92 HB ILE 92 -13.070 1.528 -6.435 727 HG12 ILE 92 HG12 ILE 92 -11.822 4.280 -6.271 728 HG13 ILE 92 HG13 ILE 92 -10.920 2.774 -6.398 729 HG21 ILE 92 HG21 ILE 92 -14.465 3.323 -7.357 730 HG22 ILE 92 HG22 ILE 92 -15.142 2.660 -5.869 731 HG23 ILE 92 HG23 ILE 92 -14.308 4.214 -5.842 732 HD11 ILE 92 HD11 ILE 92 -12.842 3.857 -8.445 733 HD12 ILE 92 HD12 ILE 92 -11.081 3.896 -8.544 734 HD13 ILE 92 HD13 ILE 92 -11.931 2.352 -8.577 735 H GLY 93 H GLY 93 -14.225 3.112 -2.635 736 HA2 GLY 93 HA2 GLY 93 -16.533 1.650 -2.913 737 HA3 GLY 93 HA3 GLY 93 -15.453 0.631 -1.964 738 H GLU 94 H GLU 94 -14.853 1.256 0.102 739 HA GLU 94 HA GLU 94 -15.781 3.825 1.086 740 HB2 GLU 94 HB2 GLU 94 -17.662 2.236 1.422 741 HB3 GLU 94 HB3 GLU 94 -16.597 1.230 2.394 742 HG2 GLU 94 HG2 GLU 94 -18.120 2.695 3.704 743 HG3 GLU 94 HG3 GLU 94 -16.408 2.914 4.066 744 H LYS 95 H LYS 95 -14.466 4.650 2.618 745 HA LYS 95 HA LYS 95 -12.377 2.891 3.696 746 HB2 LYS 95 HB2 LYS 95 -12.387 5.747 2.883 747 HB3 LYS 95 HB3 LYS 95 -11.448 5.333 4.309 748 HG2 LYS 95 HG2 LYS 95 -10.400 3.508 2.856 749 HG3 LYS 95 HG3 LYS 95 -11.104 4.380 1.496 750 HD2 LYS 95 HD2 LYS 95 -9.741 6.220 1.804 751 HD3 LYS 95 HD3 LYS 95 -9.450 5.845 3.508 752 HE2 LYS 95 HE2 LYS 95 -8.389 4.324 1.116 753 HE3 LYS 95 HE3 LYS 95 -7.446 5.367 2.199 754 HZ1 LYS 95 HZ1 LYS 95 -8.119 3.840 4.039 755 HZ2 LYS 95 HZ2 LYS 95 -7.119 3.123 2.877 756 HZ3 LYS 95 HZ3 LYS 95 -8.776 2.799 2.878 757 H SER 96 H SER 96 -14.361 2.289 5.041 758 HA SER 96 HA SER 96 -15.431 4.012 6.964 759 HB2 SER 96 HB2 SER 96 -14.980 1.026 7.142 760 HB3 SER 96 HB3 SER 96 -16.045 1.958 8.196 761 HG SER 96 HG SER 96 -17.406 1.299 6.669 762 H ASN 97 H ASN 97 -14.557 5.023 8.622 763 HA ASN 97 HA ASN 97 -12.425 3.695 10.132 764 HB2 ASN 97 HB2 ASN 97 -11.056 5.617 10.263 765 HB3 ASN 97 HB3 ASN 97 -11.487 5.484 8.566 766 HD21 ASN 97 HD21 ASN 97 -12.963 6.983 7.688 767 HD22 ASN 97 HD22 ASN 97 -13.249 8.507 8.454 Start of MODEL 6 1 H1 MET 1 H1 MET 1 3.300 14.118 -5.561 2 H2 MET 1 H2 MET 1 3.763 15.742 -5.456 3 H3 MET 1 H3 MET 1 4.917 14.515 -5.253 4 HA MET 1 HA MET 1 3.438 15.137 -7.745 5 HB2 MET 1 HB2 MET 1 6.377 15.414 -7.053 6 HB3 MET 1 HB3 MET 1 5.665 15.731 -8.629 7 HG2 MET 1 HG2 MET 1 5.043 17.229 -6.095 8 HG3 MET 1 HG3 MET 1 6.109 17.780 -7.385 9 HE1 MET 1 HE1 MET 1 4.643 16.958 -10.027 10 HE2 MET 1 HE2 MET 1 3.673 18.396 -10.344 11 HE3 MET 1 HE3 MET 1 5.323 18.560 -9.743 12 H ALA 2 H ALA 2 5.759 14.101 -9.218 13 HA ALA 2 HA ALA 2 4.934 11.488 -9.678 14 HB1 ALA 2 HB1 ALA 2 6.983 11.233 -10.977 15 HB2 ALA 2 HB2 ALA 2 6.232 12.799 -11.281 16 HB3 ALA 2 HB3 ALA 2 7.647 12.688 -10.232 17 H LYS 3 H LYS 3 5.907 9.467 -9.238 18 HA LYS 3 HA LYS 3 7.568 9.401 -6.810 19 HB2 LYS 3 HB2 LYS 3 5.465 8.976 -5.893 20 HB3 LYS 3 HB3 LYS 3 4.929 8.066 -7.300 21 HG2 LYS 3 HG2 LYS 3 6.429 6.236 -6.698 22 HG3 LYS 3 HG3 LYS 3 6.988 7.149 -5.296 23 HD2 LYS 3 HD2 LYS 3 4.069 6.729 -5.566 24 HD3 LYS 3 HD3 LYS 3 5.055 5.325 -5.161 25 HE2 LYS 3 HE2 LYS 3 4.162 6.554 -3.192 26 HE3 LYS 3 HE3 LYS 3 5.915 6.370 -3.218 27 HZ1 LYS 3 HZ1 LYS 3 6.141 8.638 -3.961 28 HZ2 LYS 3 HZ2 LYS 3 5.188 8.614 -2.559 29 HZ3 LYS 3 HZ3 LYS 3 4.460 8.831 -4.072 30 H THR 4 H THR 4 9.243 8.129 -6.955 31 HA THR 4 HA THR 4 9.365 5.503 -7.588 32 HB THR 4 HB THR 4 8.640 6.294 -9.933 33 HG1 THR 4 HG1 THR 4 10.610 4.484 -9.215 34 HG21 THR 4 HG21 THR 4 11.553 7.074 -10.084 35 HG22 THR 4 HG22 THR 4 10.183 8.183 -10.152 36 HG23 THR 4 HG23 THR 4 10.428 7.005 -11.441 37 H GLU 5 H GLU 5 10.820 8.557 -7.250 38 HA GLU 5 HA GLU 5 13.522 7.392 -7.296 39 HB2 GLU 5 HB2 GLU 5 14.364 9.665 -7.559 40 HB3 GLU 5 HB3 GLU 5 13.188 9.295 -8.814 41 HG2 GLU 5 HG2 GLU 5 11.508 10.591 -7.712 42 HG3 GLU 5 HG3 GLU 5 12.543 10.825 -6.304 43 H GLU 6 H GLU 6 11.216 7.792 -5.165 44 HA GLU 6 HA GLU 6 12.613 9.236 -3.094 45 HB2 GLU 6 HB2 GLU 6 10.067 7.642 -3.050 46 HB3 GLU 6 HB3 GLU 6 10.681 8.548 -1.690 47 HG2 GLU 6 HG2 GLU 6 9.268 10.099 -2.460 48 HG3 GLU 6 HG3 GLU 6 10.595 10.480 -3.566 49 H MET 7 H MET 7 10.864 6.342 -2.414 50 HA MET 7 HA MET 7 11.259 4.603 -1.052 51 HB2 MET 7 HB2 MET 7 13.597 4.720 -2.765 52 HB3 MET 7 HB3 MET 7 13.985 4.048 -1.185 53 HG2 MET 7 HG2 MET 7 12.336 2.356 -1.416 54 HG3 MET 7 HG3 MET 7 11.710 3.090 -2.897 55 HE1 MET 7 HE1 MET 7 11.857 0.787 -4.193 56 HE2 MET 7 HE2 MET 7 13.295 -0.235 -4.209 57 HE3 MET 7 HE3 MET 7 12.413 0.024 -2.703 58 H VAL 8 H VAL 8 11.391 7.242 -0.011 59 HA VAL 8 HA VAL 8 12.332 6.538 2.602 60 HB VAL 8 HB VAL 8 13.598 8.872 2.723 61 HG11 VAL 8 HG11 VAL 8 15.730 7.712 2.441 62 HG12 VAL 8 HG12 VAL 8 14.578 6.737 3.353 63 HG13 VAL 8 HG13 VAL 8 14.898 6.370 1.657 64 HG21 VAL 8 HG21 VAL 8 14.966 9.280 0.729 65 HG22 VAL 8 HG22 VAL 8 14.072 8.027 -0.132 66 HG23 VAL 8 HG23 VAL 8 13.246 9.492 0.402 67 H GLN 9 H GLN 9 9.940 6.844 2.784 68 HA GLN 9 HA GLN 9 9.483 9.677 3.464 69 HB2 GLN 9 HB2 GLN 9 7.682 7.901 1.875 70 HB3 GLN 9 HB3 GLN 9 7.005 9.198 2.856 71 HG2 GLN 9 HG2 GLN 9 8.520 10.784 1.679 72 HG3 GLN 9 HG3 GLN 9 8.994 9.461 0.615 73 HE21 GLN 9 HE21 GLN 9 7.660 12.005 0.040 74 HE22 GLN 9 HE22 GLN 9 6.175 11.585 -0.756 75 H THR 10 H THR 10 8.506 6.314 4.202 76 HA THR 10 HA THR 10 8.005 7.265 6.940 77 HB THR 10 HB THR 10 6.255 5.241 5.521 78 HG1 THR 10 HG1 THR 10 4.718 7.140 6.144 79 HG21 THR 10 HG21 THR 10 4.861 5.387 7.539 80 HG22 THR 10 HG22 THR 10 6.046 6.462 8.281 81 HG23 THR 10 HG23 THR 10 6.477 4.791 7.916 82 H GLU 11 H GLU 11 9.642 6.430 8.028 83 HA GLU 11 HA GLU 11 10.928 3.993 7.200 84 HB2 GLU 11 HB2 GLU 11 12.039 6.137 7.990 85 HB3 GLU 11 HB3 GLU 11 11.579 5.656 9.615 86 HG2 GLU 11 HG2 GLU 11 12.957 3.734 9.531 87 HG3 GLU 11 HG3 GLU 11 13.231 3.930 7.800 88 H GLU 12 H GLU 12 11.300 2.169 8.412 89 HA GLU 12 HA GLU 12 10.060 1.788 11.001 90 HB2 GLU 12 HB2 GLU 12 8.545 1.091 8.842 91 HB3 GLU 12 HB3 GLU 12 9.448 -0.392 9.088 92 HG2 GLU 12 HG2 GLU 12 7.881 0.947 11.276 93 HG3 GLU 12 HG3 GLU 12 7.187 -0.252 10.190 94 H MET 13 H MET 13 10.526 -1.032 11.150 95 HA MET 13 HA MET 13 13.369 -0.877 11.469 96 HB2 MET 13 HB2 MET 13 11.528 -3.224 11.893 97 HB3 MET 13 HB3 MET 13 13.212 -3.129 12.386 98 HG2 MET 13 HG2 MET 13 12.560 -1.122 13.773 99 HG3 MET 13 HG3 MET 13 10.885 -1.571 13.453 100 HE1 MET 13 HE1 MET 13 11.379 -4.831 13.345 101 HE2 MET 13 HE2 MET 13 10.871 -5.246 14.982 102 HE3 MET 13 HE3 MET 13 9.945 -4.074 14.041 103 H GLU 14 H GLU 14 11.218 -2.739 9.282 104 HA GLU 14 HA GLU 14 13.679 -3.466 7.840 105 HB2 GLU 14 HB2 GLU 14 12.234 -5.368 8.516 106 HB3 GLU 14 HB3 GLU 14 10.951 -4.705 7.516 107 HG2 GLU 14 HG2 GLU 14 11.967 -6.403 6.235 108 HG3 GLU 14 HG3 GLU 14 12.531 -4.876 5.553 109 H THR 15 H THR 15 10.823 -1.539 7.622 110 HA THR 15 HA THR 15 10.752 -1.364 4.759 111 HB THR 15 HB THR 15 9.840 0.946 6.353 112 HG1 THR 15 HG1 THR 15 7.895 -0.829 6.581 113 HG21 THR 15 HG21 THR 15 8.501 -0.778 4.269 114 HG22 THR 15 HG22 THR 15 9.336 0.747 3.972 115 HG23 THR 15 HG23 THR 15 7.858 0.723 4.933 116 HA PRO 16 HA PRO 16 14.149 1.398 4.518 117 HB2 PRO 16 HB2 PRO 16 14.212 1.797 1.909 118 HB3 PRO 16 HB3 PRO 16 14.407 0.179 2.591 119 HG2 PRO 16 HG2 PRO 16 12.054 1.364 1.232 120 HG3 PRO 16 HG3 PRO 16 12.657 -0.301 1.194 121 HD2 PRO 16 HD2 PRO 16 10.565 0.737 2.818 122 HD3 PRO 16 HD3 PRO 16 11.330 -0.888 2.933 123 H ARG 17 H ARG 17 12.074 2.639 5.641 124 HA ARG 17 HA ARG 17 10.752 4.480 5.835 125 HB2 ARG 17 HB2 ARG 17 13.171 5.428 5.634 126 HB3 ARG 17 HB3 ARG 17 12.697 5.885 4.004 127 HG2 ARG 17 HG2 ARG 17 10.873 7.236 4.916 128 HG3 ARG 17 HG3 ARG 17 11.361 6.781 6.550 129 HD2 ARG 17 HD2 ARG 17 12.968 8.359 4.547 130 HD3 ARG 17 HD3 ARG 17 12.235 8.965 6.032 131 HE ARG 17 HE ARG 17 13.890 6.986 6.897 132 HH11 ARG 17 HH11 ARG 17 14.321 9.856 4.928 133 HH12 ARG 17 HH12 ARG 17 16.007 10.029 5.338 134 HH21 ARG 17 HH21 ARG 17 16.061 7.234 7.476 135 HH22 ARG 17 HH22 ARG 17 16.988 8.550 6.810 136 H LEU 18 H LEU 18 9.311 3.108 4.423 137 HA LEU 18 HA LEU 18 9.076 4.295 1.741 138 HB2 LEU 18 HB2 LEU 18 9.522 1.655 2.585 139 HB3 LEU 18 HB3 LEU 18 7.895 1.738 1.966 140 HG LEU 18 HG LEU 18 8.690 2.565 -0.164 141 HD11 LEU 18 HD11 LEU 18 10.587 3.835 0.641 142 HD12 LEU 18 HD12 LEU 18 11.415 2.346 1.088 143 HD13 LEU 18 HD13 LEU 18 11.088 2.696 -0.609 144 HD21 LEU 18 HD21 LEU 18 9.875 0.563 -0.909 145 HD22 LEU 18 HD22 LEU 18 10.195 0.123 0.769 146 HD23 LEU 18 HD23 LEU 18 8.538 0.150 0.166 147 H SER 19 H SER 19 7.254 5.325 1.328 148 HA SER 19 HA SER 19 4.870 4.706 2.931 149 HB2 SER 19 HB2 SER 19 5.824 6.694 3.825 150 HB3 SER 19 HB3 SER 19 6.069 7.372 2.207 151 HG SER 19 HG SER 19 3.905 7.511 3.826 152 H VAL 20 H VAL 20 3.049 4.489 1.865 153 HA VAL 20 HA VAL 20 3.089 4.744 -1.063 154 HB VAL 20 HB VAL 20 2.691 2.483 -0.093 155 HG11 VAL 20 HG11 VAL 20 0.148 3.711 0.939 156 HG12 VAL 20 HG12 VAL 20 0.583 2.003 1.006 157 HG13 VAL 20 HG13 VAL 20 1.516 3.187 1.921 158 HG21 VAL 20 HG21 VAL 20 0.318 3.624 -1.554 159 HG22 VAL 20 HG22 VAL 20 1.803 3.030 -2.298 160 HG23 VAL 20 HG23 VAL 20 0.743 1.915 -1.438 161 H ILE 21 H ILE 21 1.213 5.504 -2.147 162 HA ILE 21 HA ILE 21 -0.332 7.489 -0.631 163 HB ILE 21 HB ILE 21 -0.755 6.968 -3.539 164 HG12 ILE 21 HG12 ILE 21 1.669 8.433 -2.456 165 HG13 ILE 21 HG13 ILE 21 1.705 6.854 -3.248 166 HG21 ILE 21 HG21 ILE 21 -1.023 9.383 -3.613 167 HG22 ILE 21 HG22 ILE 21 -2.034 8.688 -2.348 168 HG23 ILE 21 HG23 ILE 21 -0.529 9.507 -1.924 169 HD11 ILE 21 HD11 ILE 21 0.850 7.888 -5.300 170 HD12 ILE 21 HD12 ILE 21 0.861 9.461 -4.502 171 HD13 ILE 21 HD13 ILE 21 2.377 8.602 -4.779 172 H VAL 22 H VAL 22 -2.067 6.662 0.373 173 HA VAL 22 HA VAL 22 -3.708 4.701 -1.081 174 HB VAL 22 HB VAL 22 -4.065 5.454 1.815 175 HG11 VAL 22 HG11 VAL 22 -5.221 3.306 1.923 176 HG12 VAL 22 HG12 VAL 22 -5.951 4.389 0.737 177 HG13 VAL 22 HG13 VAL 22 -4.919 3.063 0.202 178 HG21 VAL 22 HG21 VAL 22 -2.420 3.177 0.710 179 HG22 VAL 22 HG22 VAL 22 -1.784 4.607 1.523 180 HG23 VAL 22 HG23 VAL 22 -2.786 3.460 2.412 181 H THR 23 H THR 23 -5.450 5.433 -2.022 182 HA THR 23 HA THR 23 -6.620 7.902 -0.993 183 HB THR 23 HB THR 23 -5.580 7.338 -3.729 184 HG1 THR 23 HG1 THR 23 -5.496 9.399 -1.812 185 HG21 THR 23 HG21 THR 23 -7.803 9.311 -3.157 186 HG22 THR 23 HG22 THR 23 -7.966 7.841 -4.119 187 HG23 THR 23 HG23 THR 23 -6.927 9.151 -4.681 188 H HIS 24 H HIS 24 -8.696 7.878 -0.718 189 HA HIS 24 HA HIS 24 -10.376 6.158 -2.434 190 HB2 HIS 24 HB2 HIS 24 -10.586 5.225 -0.259 191 HB3 HIS 24 HB3 HIS 24 -10.586 6.804 0.510 192 HD1 HIS 24 HD1 HIS 24 -12.816 8.141 0.484 193 HD2 HIS 24 HD2 HIS 24 -13.089 4.314 -1.123 194 HE1 HIS 24 HE1 HIS 24 -15.274 7.637 0.355 195 HE2 HIS 24 HE2 HIS 24 -15.428 5.342 -0.668 196 H SER 25 H SER 25 -11.234 7.515 -3.852 197 HA SER 25 HA SER 25 -12.098 9.386 -4.834 198 HB2 SER 25 HB2 SER 25 -13.960 8.441 -3.315 199 HB3 SER 25 HB3 SER 25 -13.610 9.811 -2.264 200 HG SER 25 HG SER 25 -14.195 11.211 -3.890 201 H ASN 26 H ASN 26 -9.796 10.215 -4.396 202 HA ASN 26 HA ASN 26 -8.546 12.109 -4.301 203 HB2 ASN 26 HB2 ASN 26 -11.052 13.180 -4.319 204 HB3 ASN 26 HB3 ASN 26 -10.421 13.803 -2.798 205 HD21 ASN 26 HD21 ASN 26 -11.085 15.262 -5.180 206 HD22 ASN 26 HD22 ASN 26 -9.641 16.052 -5.713 207 H GLU 27 H GLU 27 -10.241 11.076 -1.427 208 HA GLU 27 HA GLU 27 -8.738 12.259 0.588 209 HB2 GLU 27 HB2 GLU 27 -10.674 11.059 1.176 210 HB3 GLU 27 HB3 GLU 27 -10.138 9.610 0.352 211 HG2 GLU 27 HG2 GLU 27 -8.736 10.675 2.774 212 HG3 GLU 27 HG3 GLU 27 -10.127 9.596 2.884 213 H ARG 28 H ARG 28 -6.807 11.662 1.672 214 HA ARG 28 HA ARG 28 -5.207 9.579 0.393 215 HB2 ARG 28 HB2 ARG 28 -4.814 11.953 -0.574 216 HB3 ARG 28 HB3 ARG 28 -3.999 12.279 0.944 217 HG2 ARG 28 HG2 ARG 28 -3.225 10.048 -0.920 218 HG3 ARG 28 HG3 ARG 28 -2.508 11.655 -0.959 219 HD2 ARG 28 HD2 ARG 28 -2.369 9.612 1.245 220 HD3 ARG 28 HD3 ARG 28 -1.042 10.261 0.283 221 HE ARG 28 HE ARG 28 -2.578 12.056 2.039 222 HH11 ARG 28 HH11 ARG 28 0.451 10.541 1.176 223 HH12 ARG 28 HH12 ARG 28 1.375 11.420 2.356 224 HH21 ARG 28 HH21 ARG 28 -1.387 13.208 3.588 225 HH22 ARG 28 HH22 ARG 28 0.323 12.920 3.757 226 H TYR 29 H TYR 29 -4.453 8.286 1.917 227 HA TYR 29 HA TYR 29 -3.259 9.509 4.325 228 HB2 TYR 29 HB2 TYR 29 -4.834 6.981 4.021 229 HB3 TYR 29 HB3 TYR 29 -3.489 6.978 5.157 230 HD1 TYR 29 HD1 TYR 29 -3.480 8.838 6.944 231 HD2 TYR 29 HD2 TYR 29 -6.924 7.772 4.684 232 HE1 TYR 29 HE1 TYR 29 -4.917 9.832 8.672 233 HE2 TYR 29 HE2 TYR 29 -8.370 8.768 6.403 234 HH TYR 29 HH TYR 29 -8.290 9.332 8.771 235 H ASP 30 H ASP 30 -1.085 9.113 4.588 236 HA ASP 30 HA ASP 30 0.189 7.459 2.565 237 HB2 ASP 30 HB2 ASP 30 2.303 8.289 3.376 238 HB3 ASP 30 HB3 ASP 30 1.204 9.648 3.199 239 H LEU 31 H LEU 31 0.652 5.449 2.830 240 HA LEU 31 HA LEU 31 0.415 4.274 5.529 241 HB2 LEU 31 HB2 LEU 31 -1.079 3.785 3.239 242 HB3 LEU 31 HB3 LEU 31 0.077 2.470 3.251 243 HG LEU 31 HG LEU 31 -2.237 2.108 4.334 244 HD11 LEU 31 HD11 LEU 31 -1.213 0.703 6.112 245 HD12 LEU 31 HD12 LEU 31 -0.383 0.531 4.565 246 HD13 LEU 31 HD13 LEU 31 0.334 1.506 5.847 247 HD21 LEU 31 HD21 LEU 31 -2.260 4.188 5.626 248 HD22 LEU 31 HD22 LEU 31 -2.334 2.794 6.704 249 HD23 LEU 31 HD23 LEU 31 -0.822 3.685 6.515 250 H LEU 32 H LEU 32 1.882 2.430 5.965 251 HA LEU 32 HA LEU 32 4.341 2.874 4.429 252 HB2 LEU 32 HB2 LEU 32 5.015 3.441 6.502 253 HB3 LEU 32 HB3 LEU 32 3.814 2.422 7.296 254 HG LEU 32 HG LEU 32 6.116 1.086 5.938 255 HD11 LEU 32 HD11 LEU 32 7.147 2.937 7.156 256 HD12 LEU 32 HD12 LEU 32 6.285 2.456 8.618 257 HD13 LEU 32 HD13 LEU 32 7.502 1.388 7.919 258 HD21 LEU 32 HD21 LEU 32 5.884 -0.437 7.854 259 HD22 LEU 32 HD22 LEU 32 4.597 0.582 8.501 260 HD23 LEU 32 HD23 LEU 32 4.366 -0.264 6.970 261 H VAL 33 H VAL 33 5.396 1.311 3.489 262 HA VAL 33 HA VAL 33 3.895 -0.970 2.706 263 HB VAL 33 HB VAL 33 6.746 -1.138 1.992 264 HG11 VAL 33 HG11 VAL 33 4.940 -2.221 0.750 265 HG12 VAL 33 HG12 VAL 33 4.222 -0.649 0.401 266 HG13 VAL 33 HG13 VAL 33 5.801 -1.064 -0.264 267 HG21 VAL 33 HG21 VAL 33 5.246 1.396 1.391 268 HG22 VAL 33 HG22 VAL 33 6.664 1.243 2.429 269 HG23 VAL 33 HG23 VAL 33 6.797 0.913 0.703 270 H THR 34 H THR 34 4.579 -3.232 2.928 271 HA THR 34 HA THR 34 4.718 -3.484 5.790 272 HB THR 34 HB THR 34 4.252 -5.641 3.727 273 HG1 THR 34 HG1 THR 34 2.771 -3.707 3.787 274 HG21 THR 34 HG21 THR 34 3.510 -5.483 6.652 275 HG22 THR 34 HG22 THR 34 4.808 -6.469 5.979 276 HG23 THR 34 HG23 THR 34 3.130 -6.811 5.555 277 HA PRO 35 HA PRO 35 9.050 -4.363 5.722 278 HB2 PRO 35 HB2 PRO 35 9.236 -4.744 8.421 279 HB3 PRO 35 HB3 PRO 35 9.232 -3.153 7.657 280 HG2 PRO 35 HG2 PRO 35 7.001 -4.628 8.990 281 HG3 PRO 35 HG3 PRO 35 7.397 -2.901 9.048 282 HD2 PRO 35 HD2 PRO 35 5.411 -3.888 7.506 283 HD3 PRO 35 HD3 PRO 35 6.366 -2.468 7.035 284 H GLN 36 H GLN 36 10.413 -6.030 6.200 285 HA GLN 36 HA GLN 36 11.167 -8.079 6.878 286 HB2 GLN 36 HB2 GLN 36 8.284 -8.733 7.499 287 HB3 GLN 36 HB3 GLN 36 9.631 -9.834 7.748 288 HG2 GLN 36 HG2 GLN 36 10.623 -8.290 9.341 289 HG3 GLN 36 HG3 GLN 36 9.310 -7.148 9.070 290 HE21 GLN 36 HE21 GLN 36 7.311 -9.307 8.913 291 HE22 GLN 36 HE22 GLN 36 7.059 -9.825 10.542 292 H GLN 37 H GLN 37 9.690 -7.159 4.279 293 HA GLN 37 HA GLN 37 9.762 -9.781 2.973 294 HB2 GLN 37 HB2 GLN 37 8.208 -7.451 2.473 295 HB3 GLN 37 HB3 GLN 37 9.342 -7.619 1.143 296 HG2 GLN 37 HG2 GLN 37 7.307 -9.609 2.058 297 HG3 GLN 37 HG3 GLN 37 7.403 -8.770 0.510 298 HE21 GLN 37 HE21 GLN 37 9.037 -9.362 -0.956 299 HE22 GLN 37 HE22 GLN 37 9.786 -10.925 -0.889 300 H GLY 38 H GLY 38 11.652 -7.044 3.565 301 HA2 GLY 38 HA2 GLY 38 14.001 -7.149 2.755 302 HA3 GLY 38 HA3 GLY 38 13.317 -7.548 1.179 303 H ASN 39 H ASN 39 11.715 -5.335 3.213 304 HA ASN 39 HA ASN 39 11.093 -3.228 3.123 305 HB2 ASN 39 HB2 ASN 39 12.750 -1.484 2.792 306 HB3 ASN 39 HB3 ASN 39 13.293 -2.753 3.888 307 HD21 ASN 39 HD21 ASN 39 13.732 -1.313 0.734 308 HD22 ASN 39 HD22 ASN 39 15.296 -1.988 0.432 309 H SER 40 H SER 40 12.649 -4.142 0.124 310 HA SER 40 HA SER 40 11.445 -1.924 -1.262 311 HB2 SER 40 HB2 SER 40 13.640 -2.381 -1.941 312 HB3 SER 40 HB3 SER 40 13.361 -4.124 -1.998 313 HG SER 40 HG SER 40 12.730 -3.921 -3.985 314 H GLU 41 H GLU 41 10.962 -5.429 -0.991 315 HA GLU 41 HA GLU 41 8.836 -5.138 -2.991 316 HB2 GLU 41 HB2 GLU 41 9.346 -7.507 -3.689 317 HB3 GLU 41 HB3 GLU 41 10.527 -6.296 -4.151 318 HG2 GLU 41 HG2 GLU 41 11.930 -6.999 -2.237 319 HG3 GLU 41 HG3 GLU 41 10.763 -8.281 -1.904 320 HA PRO 42 HA PRO 42 7.004 -6.175 0.988 321 HB2 PRO 42 HB2 PRO 42 4.571 -5.283 -0.407 322 HB3 PRO 42 HB3 PRO 42 5.294 -4.696 1.092 323 HG2 PRO 42 HG2 PRO 42 5.384 -3.272 -1.163 324 HG3 PRO 42 HG3 PRO 42 6.722 -3.267 0.000 325 HD2 PRO 42 HD2 PRO 42 6.470 -4.712 -2.600 326 HD3 PRO 42 HD3 PRO 42 7.881 -3.893 -1.895 327 H VAL 43 H VAL 43 5.079 -7.424 1.676 328 HA VAL 43 HA VAL 43 5.037 -9.924 0.270 329 HB VAL 43 HB VAL 43 3.490 -10.659 2.061 330 HG11 VAL 43 HG11 VAL 43 5.119 -10.621 3.880 331 HG12 VAL 43 HG12 VAL 43 5.883 -10.972 2.329 332 HG13 VAL 43 HG13 VAL 43 6.021 -9.362 3.037 333 HG21 VAL 43 HG21 VAL 43 2.436 -8.498 2.516 334 HG22 VAL 43 HG22 VAL 43 3.097 -9.219 3.985 335 HG23 VAL 43 HG23 VAL 43 3.957 -7.905 3.184 336 H VAL 44 H VAL 44 2.940 -11.061 -0.157 337 HA VAL 44 HA VAL 44 1.346 -9.731 -1.996 338 HB VAL 44 HB VAL 44 -0.350 -11.580 -1.508 339 HG11 VAL 44 HG11 VAL 44 1.087 -13.317 -2.507 340 HG12 VAL 44 HG12 VAL 44 1.251 -11.759 -3.316 341 HG13 VAL 44 HG13 VAL 44 2.496 -12.305 -2.192 342 HG21 VAL 44 HG21 VAL 44 0.483 -13.454 -0.163 343 HG22 VAL 44 HG22 VAL 44 1.882 -12.487 0.304 344 HG23 VAL 44 HG23 VAL 44 0.263 -11.999 0.807 345 H GLN 45 H GLN 45 1.170 -9.860 1.417 346 HA GLN 45 HA GLN 45 -1.527 -9.142 1.855 347 HB2 GLN 45 HB2 GLN 45 0.937 -8.746 3.554 348 HB3 GLN 45 HB3 GLN 45 -0.706 -8.478 4.111 349 HG2 GLN 45 HG2 GLN 45 -1.223 -10.802 3.891 350 HG3 GLN 45 HG3 GLN 45 0.321 -11.116 3.098 351 HE21 GLN 45 HE21 GLN 45 0.016 -8.947 5.809 352 HE22 GLN 45 HE22 GLN 45 0.873 -9.929 6.949 353 H ASP 46 H ASP 46 1.361 -7.326 1.114 354 HA ASP 46 HA ASP 46 0.783 -5.044 2.640 355 HB2 ASP 46 HB2 ASP 46 3.017 -5.295 2.114 356 HB3 ASP 46 HB3 ASP 46 2.722 -5.641 0.418 357 H LEU 47 H LEU 47 0.061 -5.765 -0.750 358 HA LEU 47 HA LEU 47 -0.635 -3.192 -1.498 359 HB2 LEU 47 HB2 LEU 47 -1.829 -4.378 -3.315 360 HB3 LEU 47 HB3 LEU 47 -0.181 -4.867 -3.119 361 HG LEU 47 HG LEU 47 -1.346 -6.775 -1.649 362 HD11 LEU 47 HD11 LEU 47 -3.401 -6.073 -3.731 363 HD12 LEU 47 HD12 LEU 47 -3.378 -7.551 -2.770 364 HD13 LEU 47 HD13 LEU 47 -3.608 -5.991 -1.981 365 HD21 LEU 47 HD21 LEU 47 0.182 -7.162 -3.484 366 HD22 LEU 47 HD22 LEU 47 -1.224 -8.215 -3.633 367 HD23 LEU 47 HD23 LEU 47 -1.085 -6.780 -4.649 368 H ALA 48 H ALA 48 -2.557 -5.845 -0.179 369 HA ALA 48 HA ALA 48 -5.009 -4.416 -0.038 370 HB1 ALA 48 HB1 ALA 48 -5.742 -6.221 1.438 371 HB2 ALA 48 HB2 ALA 48 -4.922 -6.866 0.016 372 HB3 ALA 48 HB3 ALA 48 -4.081 -6.802 1.565 373 H GLN 49 H GLN 49 -2.257 -4.847 2.063 374 HA GLN 49 HA GLN 49 -3.391 -4.064 4.493 375 HB2 GLN 49 HB2 GLN 49 -1.246 -5.174 4.453 376 HB3 GLN 49 HB3 GLN 49 -0.543 -3.895 3.497 377 HG2 GLN 49 HG2 GLN 49 0.271 -3.439 5.589 378 HG3 GLN 49 HG3 GLN 49 -1.113 -2.367 5.460 379 HE21 GLN 49 HE21 GLN 49 -2.968 -2.781 6.640 380 HE22 GLN 49 HE22 GLN 49 -2.974 -3.850 7.997 381 H LEU 50 H LEU 50 -1.568 -2.286 2.111 382 HA LEU 50 HA LEU 50 -1.314 0.103 3.514 383 HB2 LEU 50 HB2 LEU 50 -1.536 -0.392 0.555 384 HB3 LEU 50 HB3 LEU 50 -0.930 1.087 1.280 385 HG LEU 50 HG LEU 50 0.378 -1.618 1.625 386 HD11 LEU 50 HD11 LEU 50 2.096 -0.784 0.128 387 HD12 LEU 50 HD12 LEU 50 0.531 -0.834 -0.684 388 HD13 LEU 50 HD13 LEU 50 1.181 0.704 -0.115 389 HD21 LEU 50 HD21 LEU 50 0.749 -0.109 3.497 390 HD22 LEU 50 HD22 LEU 50 2.224 -0.358 2.562 391 HD23 LEU 50 HD23 LEU 50 1.308 1.139 2.382 392 H VAL 51 H VAL 51 -3.723 -0.730 1.030 393 HA VAL 51 HA VAL 51 -5.336 1.598 1.300 394 HB VAL 51 HB VAL 51 -5.312 -0.848 -0.114 395 HG11 VAL 51 HG11 VAL 51 -8.019 -0.057 0.931 396 HG12 VAL 51 HG12 VAL 51 -7.729 -1.193 -0.387 397 HG13 VAL 51 HG13 VAL 51 -7.181 -1.575 1.244 398 HG21 VAL 51 HG21 VAL 51 -6.578 0.507 -1.717 399 HG22 VAL 51 HG22 VAL 51 -6.791 1.739 -0.473 400 HG23 VAL 51 HG23 VAL 51 -5.175 1.357 -1.069 401 H GLU 52 H GLU 52 -5.344 -1.543 2.957 402 HA GLU 52 HA GLU 52 -7.833 -1.275 4.311 403 HB2 GLU 52 HB2 GLU 52 -6.572 -3.405 3.818 404 HB3 GLU 52 HB3 GLU 52 -5.432 -2.961 5.069 405 HG2 GLU 52 HG2 GLU 52 -8.350 -3.288 5.643 406 HG3 GLU 52 HG3 GLU 52 -7.243 -4.656 5.625 407 H GLU 53 H GLU 53 -4.455 -0.761 5.295 408 HA GLU 53 HA GLU 53 -5.169 -0.235 8.019 409 HB2 GLU 53 HB2 GLU 53 -3.065 -1.289 7.552 410 HB3 GLU 53 HB3 GLU 53 -2.570 0.038 6.514 411 HG2 GLU 53 HG2 GLU 53 -2.283 1.499 8.333 412 HG3 GLU 53 HG3 GLU 53 -3.131 0.408 9.439 413 H ALA 54 H ALA 54 -4.679 1.705 5.172 414 HA ALA 54 HA ALA 54 -4.103 4.167 6.353 415 HB1 ALA 54 HB1 ALA 54 -5.754 3.666 3.885 416 HB2 ALA 54 HB2 ALA 54 -4.957 5.179 4.319 417 HB3 ALA 54 HB3 ALA 54 -3.993 3.749 3.946 418 H THR 55 H THR 55 -7.132 2.455 6.076 419 HA THR 55 HA THR 55 -8.423 4.692 7.476 420 HB THR 55 HB THR 55 -9.451 4.378 5.345 421 HG1 THR 55 HG1 THR 55 -10.933 4.811 6.991 422 HG21 THR 55 HG21 THR 55 -8.728 2.100 4.885 423 HG22 THR 55 HG22 THR 55 -10.470 2.254 4.661 424 HG23 THR 55 HG23 THR 55 -9.833 1.485 6.115 425 H GLY 56 H GLY 56 -7.634 1.314 7.606 426 HA2 GLY 56 HA2 GLY 56 -7.637 -0.020 9.533 427 HA3 GLY 56 HA3 GLY 56 -8.662 1.168 10.330 428 H VAL 57 H VAL 57 -9.513 0.146 7.180 429 HA VAL 57 HA VAL 57 -11.947 -1.081 8.263 430 HB VAL 57 HB VAL 57 -11.377 0.327 5.650 431 HG11 VAL 57 HG11 VAL 57 -13.986 -0.820 6.622 432 HG12 VAL 57 HG12 VAL 57 -13.760 0.162 5.174 433 HG13 VAL 57 HG13 VAL 57 -13.024 -1.436 5.278 434 HG21 VAL 57 HG21 VAL 57 -12.903 2.010 6.524 435 HG22 VAL 57 HG22 VAL 57 -13.074 1.078 8.012 436 HG23 VAL 57 HG23 VAL 57 -11.513 1.775 7.586 437 HA PRO 58 HA PRO 58 -10.811 -5.072 6.775 438 HB2 PRO 58 HB2 PRO 58 -13.242 -6.074 6.105 439 HB3 PRO 58 HB3 PRO 58 -12.735 -5.832 7.788 440 HG2 PRO 58 HG2 PRO 58 -14.302 -3.951 6.023 441 HG3 PRO 58 HG3 PRO 58 -14.749 -4.568 7.640 442 HD2 PRO 58 HD2 PRO 58 -13.643 -2.193 7.450 443 HD3 PRO 58 HD3 PRO 58 -13.018 -3.320 8.682 444 H LEU 59 H LEU 59 -10.585 -6.340 5.030 445 HA LEU 59 HA LEU 59 -10.013 -5.219 2.620 446 HB2 LEU 59 HB2 LEU 59 -10.623 -8.068 3.340 447 HB3 LEU 59 HB3 LEU 59 -10.106 -7.605 1.731 448 HG LEU 59 HG LEU 59 -8.037 -6.609 2.816 449 HD11 LEU 59 HD11 LEU 59 -8.968 -8.248 5.168 450 HD12 LEU 59 HD12 LEU 59 -7.410 -7.438 5.010 451 HD13 LEU 59 HD13 LEU 59 -8.892 -6.488 5.107 452 HD21 LEU 59 HD21 LEU 59 -8.525 -9.575 3.013 453 HD22 LEU 59 HD22 LEU 59 -7.965 -8.688 1.594 454 HD23 LEU 59 HD23 LEU 59 -6.941 -8.799 3.025 455 HA PRO 60 HA PRO 60 -14.150 -6.837 0.679 456 HB2 PRO 60 HB2 PRO 60 -16.093 -6.663 2.873 457 HB3 PRO 60 HB3 PRO 60 -15.827 -7.958 1.703 458 HG2 PRO 60 HG2 PRO 60 -15.134 -8.250 4.253 459 HG3 PRO 60 HG3 PRO 60 -14.140 -8.926 2.954 460 HD2 PRO 60 HD2 PRO 60 -13.748 -6.386 4.512 461 HD3 PRO 60 HD3 PRO 60 -12.558 -7.640 4.113 462 H PHE 61 H PHE 61 -13.899 -4.294 3.018 463 HA PHE 61 HA PHE 61 -16.133 -2.787 1.941 464 HB2 PHE 61 HB2 PHE 61 -14.326 -2.577 4.258 465 HB3 PHE 61 HB3 PHE 61 -14.925 -1.056 3.605 466 HD1 PHE 61 HD1 PHE 61 -15.934 -4.314 5.030 467 HD2 PHE 61 HD2 PHE 61 -17.164 -0.381 3.977 468 HE1 PHE 61 HE1 PHE 61 -18.048 -4.656 6.243 469 HE2 PHE 61 HE2 PHE 61 -19.280 -0.713 5.189 470 HZ PHE 61 HZ PHE 61 -19.724 -2.854 6.320 471 H GLN 62 H GLN 62 -12.742 -3.003 1.434 472 HA GLN 62 HA GLN 62 -12.899 -0.538 -0.147 473 HB2 GLN 62 HB2 GLN 62 -10.438 -0.443 -0.015 474 HB3 GLN 62 HB3 GLN 62 -11.209 -0.201 1.523 475 HG2 GLN 62 HG2 GLN 62 -10.709 -2.969 1.242 476 HG3 GLN 62 HG3 GLN 62 -9.248 -2.110 0.752 477 HE21 GLN 62 HE21 GLN 62 -9.648 -3.765 3.042 478 HE22 GLN 62 HE22 GLN 62 -9.367 -2.781 4.439 479 H LYS 63 H LYS 63 -12.467 -0.662 -2.283 480 HA LYS 63 HA LYS 63 -11.449 -3.220 -3.287 481 HB2 LYS 63 HB2 LYS 63 -12.754 -0.960 -4.822 482 HB3 LYS 63 HB3 LYS 63 -12.271 -2.514 -5.485 483 HG2 LYS 63 HG2 LYS 63 -14.399 -2.069 -3.401 484 HG3 LYS 63 HG3 LYS 63 -14.669 -2.418 -5.110 485 HD2 LYS 63 HD2 LYS 63 -13.578 -4.581 -4.852 486 HD3 LYS 63 HD3 LYS 63 -13.265 -4.232 -3.150 487 HE2 LYS 63 HE2 LYS 63 -15.693 -4.069 -2.768 488 HE3 LYS 63 HE3 LYS 63 -15.970 -4.486 -4.460 489 HZ1 LYS 63 HZ1 LYS 63 -16.202 -6.408 -3.022 490 HZ2 LYS 63 HZ2 LYS 63 -14.614 -6.205 -2.450 491 HZ3 LYS 63 HZ3 LYS 63 -14.886 -6.609 -4.077 492 H LEU 64 H LEU 64 -9.282 -2.930 -2.878 493 HA LEU 64 HA LEU 64 -7.980 -0.472 -3.570 494 HB2 LEU 64 HB2 LEU 64 -7.113 -1.543 -1.652 495 HB3 LEU 64 HB3 LEU 64 -7.073 -3.102 -2.449 496 HG LEU 64 HG LEU 64 -4.872 -1.817 -1.912 497 HD11 LEU 64 HD11 LEU 64 -4.926 -3.921 -3.127 498 HD12 LEU 64 HD12 LEU 64 -5.288 -3.060 -4.623 499 HD13 LEU 64 HD13 LEU 64 -3.737 -2.820 -3.822 500 HD21 LEU 64 HD21 LEU 64 -4.058 -0.445 -3.769 501 HD22 LEU 64 HD22 LEU 64 -5.664 -0.500 -4.495 502 HD23 LEU 64 HD23 LEU 64 -5.427 0.286 -2.934 503 H ILE 65 H ILE 65 -7.462 0.052 -5.455 504 HA ILE 65 HA ILE 65 -6.421 -1.945 -7.368 505 HB ILE 65 HB ILE 65 -7.889 0.630 -7.903 506 HG12 ILE 65 HG12 ILE 65 -8.878 -2.214 -8.269 507 HG13 ILE 65 HG13 ILE 65 -9.377 -1.125 -6.979 508 HG21 ILE 65 HG21 ILE 65 -6.320 0.134 -9.665 509 HG22 ILE 65 HG22 ILE 65 -6.915 -1.522 -9.790 510 HG23 ILE 65 HG23 ILE 65 -7.951 -0.174 -10.259 511 HD11 ILE 65 HD11 ILE 65 -10.332 0.389 -8.646 512 HD12 ILE 65 HD12 ILE 65 -9.857 -0.732 -9.923 513 HD13 ILE 65 HD13 ILE 65 -11.051 -1.221 -8.720 514 H PHE 66 H PHE 66 -4.256 -1.569 -7.111 515 HA PHE 66 HA PHE 66 -3.266 0.643 -8.479 516 HB2 PHE 66 HB2 PHE 66 -3.489 1.194 -5.751 517 HB3 PHE 66 HB3 PHE 66 -1.771 0.981 -6.105 518 HD1 PHE 66 HD1 PHE 66 -1.486 1.925 -8.801 519 HD2 PHE 66 HD2 PHE 66 -3.902 3.490 -5.676 520 HE1 PHE 66 HE1 PHE 66 -1.422 4.140 -9.869 521 HE2 PHE 66 HE2 PHE 66 -3.842 5.708 -6.734 522 HZ PHE 66 HZ PHE 66 -2.605 6.036 -8.838 523 H LYS 67 H LYS 67 -1.082 0.472 -9.035 524 HA LYS 67 HA LYS 67 0.808 -0.587 -9.613 525 HB2 LYS 67 HB2 LYS 67 1.454 -2.621 -7.910 526 HB3 LYS 67 HB3 LYS 67 1.949 -0.963 -7.717 527 HG2 LYS 67 HG2 LYS 67 0.360 -0.580 -6.005 528 HG3 LYS 67 HG3 LYS 67 -0.515 -2.088 -6.342 529 HD2 LYS 67 HD2 LYS 67 1.495 -3.357 -5.640 530 HD3 LYS 67 HD3 LYS 67 2.331 -1.845 -5.283 531 HE2 LYS 67 HE2 LYS 67 0.026 -1.595 -3.834 532 HE3 LYS 67 HE3 LYS 67 0.327 -3.330 -3.746 533 HZ1 LYS 67 HZ1 LYS 67 2.170 -1.162 -2.898 534 HZ2 LYS 67 HZ2 LYS 67 2.622 -2.787 -2.990 535 HZ3 LYS 67 HZ3 LYS 67 1.419 -2.305 -1.904 536 H GLY 68 H GLY 68 -1.688 -1.404 -10.593 537 HA2 GLY 68 HA2 GLY 68 -2.637 -3.046 -11.878 538 HA3 GLY 68 HA3 GLY 68 -1.048 -3.810 -11.936 539 H LYS 69 H LYS 69 -2.172 -3.202 -8.862 540 HA LYS 69 HA LYS 69 -2.912 -6.021 -8.530 541 HB2 LYS 69 HB2 LYS 69 -1.569 -4.123 -6.606 542 HB3 LYS 69 HB3 LYS 69 -2.079 -5.760 -6.206 543 HG2 LYS 69 HG2 LYS 69 -0.579 -6.642 -7.919 544 HG3 LYS 69 HG3 LYS 69 -0.053 -4.998 -8.289 545 HD2 LYS 69 HD2 LYS 69 1.089 -4.777 -6.297 546 HD3 LYS 69 HD3 LYS 69 0.129 -6.025 -5.491 547 HE2 LYS 69 HE2 LYS 69 2.445 -6.742 -6.018 548 HE3 LYS 69 HE3 LYS 69 1.204 -7.750 -6.752 549 HZ1 LYS 69 HZ1 LYS 69 2.974 -7.244 -8.310 550 HZ2 LYS 69 HZ2 LYS 69 2.696 -5.585 -8.132 551 HZ3 LYS 69 HZ3 LYS 69 1.515 -6.572 -8.835 552 H SER 70 H SER 70 -4.614 -6.535 -7.319 553 HA SER 70 HA SER 70 -6.185 -4.337 -6.211 554 HB2 SER 70 HB2 SER 70 -7.218 -5.485 -8.211 555 HB3 SER 70 HB3 SER 70 -7.269 -6.969 -7.257 556 HG SER 70 HG SER 70 -8.475 -4.537 -6.436 557 H LEU 71 H LEU 71 -7.255 -4.835 -4.186 558 HA LEU 71 HA LEU 71 -5.307 -6.075 -2.534 559 HB2 LEU 71 HB2 LEU 71 -6.452 -5.271 -0.655 560 HB3 LEU 71 HB3 LEU 71 -6.685 -4.079 -1.917 561 HG LEU 71 HG LEU 71 -8.739 -4.143 -0.859 562 HD11 LEU 71 HD11 LEU 71 -9.064 -6.091 -3.123 563 HD12 LEU 71 HD12 LEU 71 -10.347 -5.144 -2.371 564 HD13 LEU 71 HD13 LEU 71 -9.052 -4.331 -3.247 565 HD21 LEU 71 HD21 LEU 71 -8.580 -7.145 -0.772 566 HD22 LEU 71 HD22 LEU 71 -8.373 -6.034 0.580 567 HD23 LEU 71 HD23 LEU 71 -9.941 -6.174 -0.212 568 H LYS 72 H LYS 72 -5.195 -7.852 -1.424 569 HA LYS 72 HA LYS 72 -7.337 -9.496 -0.663 570 HB2 LYS 72 HB2 LYS 72 -7.289 -10.140 -3.069 571 HB3 LYS 72 HB3 LYS 72 -5.601 -10.593 -2.901 572 HG2 LYS 72 HG2 LYS 72 -6.267 -12.304 -1.244 573 HG3 LYS 72 HG3 LYS 72 -7.954 -11.890 -1.547 574 HD2 LYS 72 HD2 LYS 72 -6.120 -12.710 -3.776 575 HD3 LYS 72 HD3 LYS 72 -6.945 -13.907 -2.782 576 HE2 LYS 72 HE2 LYS 72 -8.250 -13.542 -4.752 577 HE3 LYS 72 HE3 LYS 72 -9.107 -12.831 -3.389 578 HZ1 LYS 72 HZ1 LYS 72 -8.961 -11.504 -5.540 579 HZ2 LYS 72 HZ2 LYS 72 -7.345 -11.196 -5.114 580 HZ3 LYS 72 HZ3 LYS 72 -8.610 -10.691 -4.097 581 H GLU 73 H GLU 73 -6.566 -11.240 0.701 582 HA GLU 73 HA GLU 73 -4.444 -10.642 2.329 583 HB2 GLU 73 HB2 GLU 73 -6.195 -12.250 2.889 584 HB3 GLU 73 HB3 GLU 73 -5.571 -13.372 1.690 585 HG2 GLU 73 HG2 GLU 73 -3.493 -13.564 2.975 586 HG3 GLU 73 HG3 GLU 73 -4.158 -12.468 4.188 587 H MET 74 H MET 74 -4.371 -13.261 -0.095 588 HA MET 74 HA MET 74 -1.530 -12.630 -0.540 589 HB2 MET 74 HB2 MET 74 -1.666 -14.780 0.560 590 HB3 MET 74 HB3 MET 74 -2.872 -15.342 -0.591 591 HG2 MET 74 HG2 MET 74 -1.222 -15.262 -2.378 592 HG3 MET 74 HG3 MET 74 -0.018 -14.642 -1.251 593 HE1 MET 74 HE1 MET 74 -2.745 -17.439 -0.707 594 HE2 MET 74 HE2 MET 74 -2.165 -17.740 -2.345 595 HE3 MET 74 HE3 MET 74 -1.812 -18.895 -1.060 596 H GLU 75 H GLU 75 -1.927 -11.264 -2.245 597 HA GLU 75 HA GLU 75 -3.566 -12.275 -4.423 598 HB2 GLU 75 HB2 GLU 75 -4.135 -10.106 -3.445 599 HB3 GLU 75 HB3 GLU 75 -2.539 -9.501 -3.851 600 HG2 GLU 75 HG2 GLU 75 -4.366 -8.772 -5.382 601 HG3 GLU 75 HG3 GLU 75 -3.011 -9.578 -6.179 602 H THR 76 H THR 76 -1.176 -9.823 -5.020 603 HA THR 76 HA THR 76 -0.172 -11.594 -7.139 604 HB THR 76 HB THR 76 0.525 -9.138 -8.006 605 HG1 THR 76 HG1 THR 76 -2.003 -8.727 -6.794 606 HG21 THR 76 HG21 THR 76 -1.521 -9.225 -9.382 607 HG22 THR 76 HG22 THR 76 -2.170 -10.474 -8.319 608 HG23 THR 76 HG23 THR 76 -0.728 -10.797 -9.282 609 HA PRO 77 HA PRO 77 4.119 -12.081 -6.434 610 HB2 PRO 77 HB2 PRO 77 4.315 -9.928 -8.513 611 HB3 PRO 77 HB3 PRO 77 5.302 -11.383 -8.318 612 HG2 PRO 77 HG2 PRO 77 3.194 -11.273 -10.020 613 HG3 PRO 77 HG3 PRO 77 3.681 -12.762 -9.195 614 HD2 PRO 77 HD2 PRO 77 1.266 -11.198 -8.839 615 HD3 PRO 77 HD3 PRO 77 1.684 -12.771 -8.134 616 H LEU 78 H LEU 78 5.363 -11.431 -4.929 617 HA LEU 78 HA LEU 78 4.982 -9.062 -3.457 618 HB2 LEU 78 HB2 LEU 78 7.056 -11.224 -3.317 619 HB3 LEU 78 HB3 LEU 78 6.971 -9.905 -2.167 620 HG LEU 78 HG LEU 78 4.534 -10.668 -1.851 621 HD11 LEU 78 HD11 LEU 78 4.471 -12.253 -3.711 622 HD12 LEU 78 HD12 LEU 78 5.744 -13.204 -2.945 623 HD13 LEU 78 HD13 LEU 78 4.166 -13.059 -2.172 624 HD21 LEU 78 HD21 LEU 78 5.232 -12.249 -0.110 625 HD22 LEU 78 HD22 LEU 78 6.840 -12.319 -0.830 626 HD23 LEU 78 HD23 LEU 78 6.253 -10.810 -0.133 627 H SER 79 H SER 79 7.605 -10.054 -5.647 628 HA SER 79 HA SER 79 9.238 -7.828 -5.156 629 HB2 SER 79 HB2 SER 79 8.968 -9.364 -7.753 630 HB3 SER 79 HB3 SER 79 10.331 -8.347 -7.281 631 HG SER 79 HG SER 79 10.591 -9.803 -5.447 632 H ALA 80 H ALA 80 6.531 -8.320 -7.264 633 HA ALA 80 HA ALA 80 6.643 -5.724 -8.482 634 HB1 ALA 80 HB1 ALA 80 4.440 -7.776 -8.514 635 HB2 ALA 80 HB2 ALA 80 4.568 -6.364 -9.561 636 HB3 ALA 80 HB3 ALA 80 5.757 -7.661 -9.681 637 H LEU 81 H LEU 81 6.016 -6.458 -5.404 638 HA LEU 81 HA LEU 81 3.375 -5.521 -4.962 639 HB2 LEU 81 HB2 LEU 81 5.171 -7.020 -3.552 640 HB3 LEU 81 HB3 LEU 81 5.140 -5.535 -2.631 641 HG LEU 81 HG LEU 81 3.567 -7.011 -1.639 642 HD11 LEU 81 HD11 LEU 81 2.042 -5.076 -3.377 643 HD12 LEU 81 HD12 LEU 81 1.442 -5.855 -1.913 644 HD13 LEU 81 HD13 LEU 81 2.784 -4.715 -1.818 645 HD21 LEU 81 HD21 LEU 81 3.349 -8.573 -3.480 646 HD22 LEU 81 HD22 LEU 81 1.761 -8.068 -2.901 647 HD23 LEU 81 HD23 LEU 81 2.410 -7.395 -4.396 648 H GLY 82 H GLY 82 5.541 -3.534 -6.111 649 HA2 GLY 82 HA2 GLY 82 5.137 -1.152 -5.987 650 HA3 GLY 82 HA3 GLY 82 4.638 -1.359 -4.338 651 H MET 83 H MET 83 7.660 -2.616 -5.775 652 HA MET 83 HA MET 83 9.164 -1.487 -3.654 653 HB2 MET 83 HB2 MET 83 11.152 -2.134 -5.059 654 HB3 MET 83 HB3 MET 83 10.031 -3.438 -4.706 655 HG2 MET 83 HG2 MET 83 9.064 -3.192 -6.948 656 HG3 MET 83 HG3 MET 83 10.234 -1.920 -7.297 657 HE1 MET 83 HE1 MET 83 10.989 -3.252 -9.481 658 HE2 MET 83 HE2 MET 83 11.515 -4.935 -9.464 659 HE3 MET 83 HE3 MET 83 9.834 -4.534 -9.113 660 H GLN 84 H GLN 84 8.477 0.598 -3.666 661 HA GLN 84 HA GLN 84 10.428 2.451 -4.639 662 HB2 GLN 84 HB2 GLN 84 7.525 3.155 -5.262 663 HB3 GLN 84 HB3 GLN 84 8.946 4.097 -5.630 664 HG2 GLN 84 HG2 GLN 84 8.252 1.486 -6.946 665 HG3 GLN 84 HG3 GLN 84 7.860 3.075 -7.597 666 HE21 GLN 84 HE21 GLN 84 9.487 1.002 -8.770 667 HE22 GLN 84 HE22 GLN 84 11.064 1.671 -9.010 668 H ASN 85 H ASN 85 9.564 4.675 -3.250 669 HA ASN 85 HA ASN 85 8.928 3.691 -0.673 670 HB2 ASN 85 HB2 ASN 85 8.033 6.011 -0.171 671 HB3 ASN 85 HB3 ASN 85 9.682 5.993 -0.804 672 HD21 ASN 85 HD21 ASN 85 7.529 8.052 -0.826 673 HD22 ASN 85 HD22 ASN 85 7.425 8.523 -2.490 674 H GLY 86 H GLY 86 7.313 2.348 -0.509 675 HA2 GLY 86 HA2 GLY 86 5.292 1.459 -0.382 676 HA3 GLY 86 HA3 GLY 86 4.681 3.103 -0.208 677 H CYS 87 H CYS 87 5.779 3.437 -3.098 678 HA CYS 87 HA CYS 87 4.768 3.832 -5.027 679 HB2 CYS 87 HB2 CYS 87 3.901 2.053 -6.267 680 HB3 CYS 87 HB3 CYS 87 5.210 1.425 -5.296 681 HG CYS 87 HG CYS 87 3.128 0.540 -3.357 682 H ARG 88 H ARG 88 1.983 2.307 -5.446 683 HA ARG 88 HA ARG 88 0.423 4.333 -3.999 684 HB2 ARG 88 HB2 ARG 88 -0.186 3.617 -6.863 685 HB3 ARG 88 HB3 ARG 88 -0.820 4.955 -5.922 686 HG2 ARG 88 HG2 ARG 88 0.643 6.056 -7.277 687 HG3 ARG 88 HG3 ARG 88 1.696 5.714 -5.903 688 HD2 ARG 88 HD2 ARG 88 2.848 5.194 -7.974 689 HD3 ARG 88 HD3 ARG 88 2.536 3.712 -7.070 690 HE ARG 88 HE ARG 88 0.458 3.686 -8.683 691 HH11 ARG 88 HH11 ARG 88 3.736 4.622 -9.441 692 HH12 ARG 88 HH12 ARG 88 3.694 3.970 -11.053 693 HH21 ARG 88 HH21 ARG 88 0.376 2.839 -10.824 694 HH22 ARG 88 HH22 ARG 88 1.776 2.965 -11.841 695 H VAL 89 H VAL 89 -1.620 3.677 -3.376 696 HA VAL 89 HA VAL 89 -2.847 1.282 -4.476 697 HB VAL 89 HB VAL 89 -3.410 0.453 -2.140 698 HG11 VAL 89 HG11 VAL 89 -1.893 -0.782 -3.553 699 HG12 VAL 89 HG12 VAL 89 -0.549 0.246 -3.056 700 HG13 VAL 89 HG13 VAL 89 -1.324 -0.820 -1.884 701 HG21 VAL 89 HG21 VAL 89 -2.719 2.420 -0.897 702 HG22 VAL 89 HG22 VAL 89 -1.835 0.996 -0.350 703 HG23 VAL 89 HG23 VAL 89 -1.048 2.171 -1.403 704 H MET 90 H MET 90 -4.784 2.087 -5.064 705 HA MET 90 HA MET 90 -6.085 3.686 -2.971 706 HB2 MET 90 HB2 MET 90 -6.238 5.414 -4.224 707 HB3 MET 90 HB3 MET 90 -5.491 4.576 -5.574 708 HG2 MET 90 HG2 MET 90 -7.631 3.868 -6.397 709 HG3 MET 90 HG3 MET 90 -8.431 4.460 -4.942 710 HE1 MET 90 HE1 MET 90 -5.569 6.231 -6.987 711 HE2 MET 90 HE2 MET 90 -6.545 5.479 -8.250 712 HE3 MET 90 HE3 MET 90 -6.504 7.236 -8.096 713 H LEU 91 H LEU 91 -8.019 3.284 -2.386 714 HA LEU 91 HA LEU 91 -9.275 0.978 -3.653 715 HB2 LEU 91 HB2 LEU 91 -10.259 0.386 -1.550 716 HB3 LEU 91 HB3 LEU 91 -8.528 0.503 -1.389 717 HG LEU 91 HG LEU 91 -9.324 1.358 0.598 718 HD11 LEU 91 HD11 LEU 91 -7.691 2.880 -0.249 719 HD12 LEU 91 HD12 LEU 91 -8.931 3.783 -1.120 720 HD13 LEU 91 HD13 LEU 91 -8.926 3.768 0.644 721 HD21 LEU 91 HD21 LEU 91 -11.673 1.451 0.088 722 HD22 LEU 91 HD22 LEU 91 -11.165 2.964 0.837 723 HD23 LEU 91 HD23 LEU 91 -11.434 2.890 -0.904 724 H ILE 92 H ILE 92 -11.186 1.212 -4.540 725 HA ILE 92 HA ILE 92 -12.632 3.649 -3.816 726 HB ILE 92 HB ILE 92 -12.870 2.047 -6.378 727 HG12 ILE 92 HG12 ILE 92 -11.682 4.791 -5.886 728 HG13 ILE 92 HG13 ILE 92 -10.760 3.325 -6.200 729 HG21 ILE 92 HG21 ILE 92 -14.203 4.625 -5.557 730 HG22 ILE 92 HG22 ILE 92 -14.299 3.888 -7.157 731 HG23 ILE 92 HG23 ILE 92 -14.991 3.059 -5.762 732 HD11 ILE 92 HD11 ILE 92 -10.919 4.700 -8.187 733 HD12 ILE 92 HD12 ILE 92 -11.769 3.172 -8.418 734 HD13 ILE 92 HD13 ILE 92 -12.680 4.647 -8.101 735 H GLY 93 H GLY 93 -14.105 3.346 -2.498 736 HA2 GLY 93 HA2 GLY 93 -16.389 1.874 -2.749 737 HA3 GLY 93 HA3 GLY 93 -15.259 0.794 -1.933 738 H GLU 94 H GLU 94 -14.963 1.012 0.211 739 HA GLU 94 HA GLU 94 -15.998 3.468 1.458 740 HB2 GLU 94 HB2 GLU 94 -16.353 0.636 2.429 741 HB3 GLU 94 HB3 GLU 94 -16.843 2.072 3.314 742 HG2 GLU 94 HG2 GLU 94 -17.950 1.112 0.686 743 HG3 GLU 94 HG3 GLU 94 -18.744 1.040 2.258 744 H LYS 95 H LYS 95 -14.310 4.478 2.386 745 HA LYS 95 HA LYS 95 -12.430 2.888 3.980 746 HB2 LYS 95 HB2 LYS 95 -12.519 5.751 3.091 747 HB3 LYS 95 HB3 LYS 95 -11.726 5.394 4.613 748 HG2 LYS 95 HG2 LYS 95 -10.463 3.600 3.110 749 HG3 LYS 95 HG3 LYS 95 -10.891 4.746 1.837 750 HD2 LYS 95 HD2 LYS 95 -9.862 6.554 3.183 751 HD3 LYS 95 HD3 LYS 95 -9.356 5.347 4.365 752 HE2 LYS 95 HE2 LYS 95 -8.063 4.205 2.544 753 HE3 LYS 95 HE3 LYS 95 -8.500 5.555 1.478 754 HZ1 LYS 95 HZ1 LYS 95 -6.288 5.769 2.495 755 HZ2 LYS 95 HZ2 LYS 95 -7.009 5.867 4.019 756 HZ3 LYS 95 HZ3 LYS 95 -7.316 7.065 2.858 757 H SER 96 H SER 96 -14.539 2.194 5.004 758 HA SER 96 HA SER 96 -16.215 3.973 6.388 759 HB2 SER 96 HB2 SER 96 -15.737 1.014 6.715 760 HB3 SER 96 HB3 SER 96 -17.021 1.893 7.550 761 HG SER 96 HG SER 96 -17.983 2.344 5.621 762 H ASN 97 H ASN 97 -14.693 5.324 7.541 763 HA ASN 97 HA ASN 97 -14.728 4.650 10.299 764 HB2 ASN 97 HB2 ASN 97 -12.624 3.474 9.600 765 HB3 ASN 97 HB3 ASN 97 -11.977 5.029 9.084 766 HD21 ASN 97 HD21 ASN 97 -14.013 4.614 11.881 767 HD22 ASN 97 HD22 ASN 97 -12.804 4.976 13.063 Start of MODEL 7 1 H1 MET 1 H1 MET 1 8.563 11.298 -13.550 2 H2 MET 1 H2 MET 1 9.097 9.817 -14.182 3 H3 MET 1 H3 MET 1 9.693 10.365 -12.694 4 HB2 MET 1 HB2 MET 1 9.127 8.354 -11.581 5 HB3 MET 1 HB3 MET 1 7.454 7.820 -11.504 6 HG2 MET 1 HG2 MET 1 9.150 7.736 -13.985 7 HG3 MET 1 HG3 MET 1 8.911 6.377 -12.886 8 HE1 MET 1 HE1 MET 1 5.880 6.751 -12.038 9 HE2 MET 1 HE2 MET 1 5.072 5.720 -13.220 10 HE3 MET 1 HE3 MET 1 6.584 5.195 -12.479 11 H ALA 2 H ALA 2 5.383 9.960 -11.795 12 HA ALA 2 HA ALA 2 5.774 12.142 -10.009 13 HB1 ALA 2 HB1 ALA 2 3.632 11.721 -11.104 14 HB2 ALA 2 HB2 ALA 2 3.461 10.212 -10.210 15 HB3 ALA 2 HB3 ALA 2 3.449 11.753 -9.352 16 H LYS 3 H LYS 3 5.781 8.668 -9.664 17 HA LYS 3 HA LYS 3 7.122 8.995 -7.122 18 HB2 LYS 3 HB2 LYS 3 4.628 8.705 -6.640 19 HB3 LYS 3 HB3 LYS 3 4.808 7.068 -7.260 20 HG2 LYS 3 HG2 LYS 3 6.704 6.834 -5.536 21 HG3 LYS 3 HG3 LYS 3 6.012 8.288 -4.803 22 HD2 LYS 3 HD2 LYS 3 3.769 6.895 -5.055 23 HD3 LYS 3 HD3 LYS 3 4.902 5.537 -5.003 24 HE2 LYS 3 HE2 LYS 3 4.145 5.977 -2.783 25 HE3 LYS 3 HE3 LYS 3 5.836 6.453 -2.910 26 HZ1 LYS 3 HZ1 LYS 3 5.174 8.757 -3.071 27 HZ2 LYS 3 HZ2 LYS 3 4.489 8.069 -1.679 28 HZ3 LYS 3 HZ3 LYS 3 3.535 8.330 -3.046 29 H THR 4 H THR 4 8.858 7.865 -7.286 30 HA THR 4 HA THR 4 9.002 5.120 -7.895 31 HB THR 4 HB THR 4 9.973 6.954 -10.111 32 HG1 THR 4 HG1 THR 4 7.724 5.662 -9.851 33 HG21 THR 4 HG21 THR 4 10.933 4.959 -11.157 34 HG22 THR 4 HG22 THR 4 10.495 4.002 -9.741 35 HG23 THR 4 HG23 THR 4 11.691 5.291 -9.600 36 H GLU 5 H GLU 5 10.818 8.167 -8.197 37 HA GLU 5 HA GLU 5 13.161 6.841 -7.075 38 HB2 GLU 5 HB2 GLU 5 13.364 8.224 -9.140 39 HB3 GLU 5 HB3 GLU 5 12.926 9.639 -8.191 40 HG2 GLU 5 HG2 GLU 5 15.351 9.417 -8.561 41 HG3 GLU 5 HG3 GLU 5 14.907 9.425 -6.854 42 H GLU 6 H GLU 6 12.359 6.625 -4.982 43 HA GLU 6 HA GLU 6 12.917 8.924 -3.299 44 HB2 GLU 6 HB2 GLU 6 10.219 7.712 -3.580 45 HB3 GLU 6 HB3 GLU 6 10.758 8.068 -1.950 46 HG2 GLU 6 HG2 GLU 6 10.348 9.983 -4.222 47 HG3 GLU 6 HG3 GLU 6 9.462 9.884 -2.695 48 H MET 7 H MET 7 11.055 6.093 -2.476 49 HA MET 7 HA MET 7 11.321 4.486 -0.936 50 HB2 MET 7 HB2 MET 7 13.809 4.441 -2.516 51 HB3 MET 7 HB3 MET 7 13.881 3.614 -0.965 52 HG2 MET 7 HG2 MET 7 12.087 2.184 -1.549 53 HG3 MET 7 HG3 MET 7 11.747 3.106 -3.019 54 HE1 MET 7 HE1 MET 7 14.219 0.637 -1.213 55 HE2 MET 7 HE2 MET 7 15.528 0.517 -2.387 56 HE3 MET 7 HE3 MET 7 15.246 2.035 -1.531 57 H VAL 8 H VAL 8 11.586 7.137 0.026 58 HA VAL 8 HA VAL 8 12.519 6.399 2.642 59 HB VAL 8 HB VAL 8 13.820 8.710 2.768 60 HG11 VAL 8 HG11 VAL 8 14.797 6.573 3.354 61 HG12 VAL 8 HG12 VAL 8 15.072 6.211 1.649 62 HG13 VAL 8 HG13 VAL 8 15.939 7.539 2.420 63 HG21 VAL 8 HG21 VAL 8 13.430 9.361 0.451 64 HG22 VAL 8 HG22 VAL 8 15.153 9.166 0.773 65 HG23 VAL 8 HG23 VAL 8 14.273 7.915 -0.106 66 H GLN 9 H GLN 9 10.059 6.764 2.636 67 HA GLN 9 HA GLN 9 9.707 9.584 3.461 68 HB2 GLN 9 HB2 GLN 9 7.722 7.735 2.179 69 HB3 GLN 9 HB3 GLN 9 7.192 9.102 3.152 70 HG2 GLN 9 HG2 GLN 9 8.579 10.570 1.668 71 HG3 GLN 9 HG3 GLN 9 8.830 9.168 0.631 72 HE21 GLN 9 HE21 GLN 9 5.838 9.826 2.335 73 HE22 GLN 9 HE22 GLN 9 4.895 10.156 0.921 74 H THR 10 H THR 10 8.136 6.417 4.178 75 HA THR 10 HA THR 10 8.155 7.249 7.008 76 HB THR 10 HB THR 10 6.282 5.220 5.778 77 HG1 THR 10 HG1 THR 10 6.016 8.041 6.141 78 HG21 THR 10 HG21 THR 10 4.959 5.639 7.803 79 HG22 THR 10 HG22 THR 10 6.179 6.780 8.368 80 HG23 THR 10 HG23 THR 10 6.577 5.069 8.210 81 H GLU 11 H GLU 11 9.780 6.273 8.058 82 HA GLU 11 HA GLU 11 10.734 3.659 7.239 83 HB2 GLU 11 HB2 GLU 11 12.216 5.592 7.810 84 HB3 GLU 11 HB3 GLU 11 11.698 5.423 9.478 85 HG2 GLU 11 HG2 GLU 11 12.593 3.128 9.494 86 HG3 GLU 11 HG3 GLU 11 13.192 3.381 7.855 87 H GLU 12 H GLU 12 10.844 1.836 8.516 88 HA GLU 12 HA GLU 12 9.921 1.839 11.260 89 HB2 GLU 12 HB2 GLU 12 7.924 1.393 9.609 90 HB3 GLU 12 HB3 GLU 12 8.653 -0.201 9.460 91 HG2 GLU 12 HG2 GLU 12 8.492 -0.472 11.908 92 HG3 GLU 12 HG3 GLU 12 7.695 1.094 12.004 93 H MET 13 H MET 13 9.735 -1.149 11.249 94 HA MET 13 HA MET 13 12.479 -1.457 11.903 95 HB2 MET 13 HB2 MET 13 10.290 -3.519 11.793 96 HB3 MET 13 HB3 MET 13 11.891 -3.770 12.474 97 HG2 MET 13 HG2 MET 13 11.446 -1.968 14.099 98 HG3 MET 13 HG3 MET 13 9.808 -1.841 13.460 99 HE1 MET 13 HE1 MET 13 8.304 -5.341 14.393 100 HE2 MET 13 HE2 MET 13 7.966 -3.757 13.696 101 HE3 MET 13 HE3 MET 13 9.063 -4.868 12.875 102 H GLU 14 H GLU 14 10.538 -2.866 9.223 103 HA GLU 14 HA GLU 14 13.075 -3.865 8.112 104 HB2 GLU 14 HB2 GLU 14 11.427 -5.599 8.181 105 HB3 GLU 14 HB3 GLU 14 10.195 -4.531 7.531 106 HG2 GLU 14 HG2 GLU 14 10.651 -5.623 5.623 107 HG3 GLU 14 HG3 GLU 14 11.954 -4.446 5.518 108 H THR 15 H THR 15 10.725 -1.401 7.694 109 HA THR 15 HA THR 15 10.701 -1.403 4.839 110 HB THR 15 HB THR 15 9.361 0.595 4.986 111 HG1 THR 15 HG1 THR 15 9.009 1.520 7.124 112 HG21 THR 15 HG21 THR 15 8.264 -1.517 5.532 113 HG22 THR 15 HG22 THR 15 7.569 -0.187 6.460 114 HG23 THR 15 HG23 THR 15 8.691 -1.309 7.232 115 HA PRO 16 HA PRO 16 14.241 1.138 4.283 116 HB2 PRO 16 HB2 PRO 16 13.989 1.567 1.623 117 HB3 PRO 16 HB3 PRO 16 14.465 0.004 2.295 118 HG2 PRO 16 HG2 PRO 16 11.953 0.785 1.013 119 HG3 PRO 16 HG3 PRO 16 12.615 -0.831 1.305 120 HD2 PRO 16 HD2 PRO 16 10.589 0.601 2.812 121 HD3 PRO 16 HD3 PRO 16 11.181 -1.077 3.038 122 H ARG 17 H ARG 17 11.934 2.305 5.355 123 HA ARG 17 HA ARG 17 10.767 4.211 5.646 124 HB2 ARG 17 HB2 ARG 17 13.199 5.077 5.487 125 HB3 ARG 17 HB3 ARG 17 12.770 5.592 3.863 126 HG2 ARG 17 HG2 ARG 17 11.092 7.071 4.711 127 HG3 ARG 17 HG3 ARG 17 11.323 6.463 6.352 128 HD2 ARG 17 HD2 ARG 17 13.374 7.915 4.689 129 HD3 ARG 17 HD3 ARG 17 12.457 8.601 6.032 130 HE ARG 17 HE ARG 17 13.779 6.319 6.961 131 HH11 ARG 17 HH11 ARG 17 14.578 9.500 5.750 132 HH12 ARG 17 HH12 ARG 17 16.034 9.626 6.693 133 HH21 ARG 17 HH21 ARG 17 15.671 6.460 8.200 134 HH22 ARG 17 HH22 ARG 17 16.656 7.903 8.114 135 H LEU 18 H LEU 18 9.317 2.865 4.168 136 HA LEU 18 HA LEU 18 8.959 4.235 1.587 137 HB2 LEU 18 HB2 LEU 18 8.850 1.426 2.384 138 HB3 LEU 18 HB3 LEU 18 7.531 1.964 1.373 139 HG LEU 18 HG LEU 18 8.957 2.531 -0.413 140 HD11 LEU 18 HD11 LEU 18 11.395 2.443 -0.254 141 HD12 LEU 18 HD12 LEU 18 10.695 3.651 0.824 142 HD13 LEU 18 HD13 LEU 18 11.258 2.112 1.474 143 HD21 LEU 18 HD21 LEU 18 8.532 0.141 -0.183 144 HD22 LEU 18 HD22 LEU 18 10.127 0.439 -0.875 145 HD23 LEU 18 HD23 LEU 18 9.972 -0.028 0.819 146 H SER 19 H SER 19 7.185 5.342 1.233 147 HA SER 19 HA SER 19 4.810 4.801 2.872 148 HB2 SER 19 HB2 SER 19 5.787 6.748 3.781 149 HB3 SER 19 HB3 SER 19 6.106 7.420 2.170 150 HG SER 19 HG SER 19 3.941 7.704 3.723 151 H VAL 20 H VAL 20 2.991 4.626 1.835 152 HA VAL 20 HA VAL 20 2.968 4.896 -1.087 153 HB VAL 20 HB VAL 20 2.593 2.637 -0.095 154 HG11 VAL 20 HG11 VAL 20 1.457 3.313 1.925 155 HG12 VAL 20 HG12 VAL 20 0.091 3.909 0.983 156 HG13 VAL 20 HG13 VAL 20 0.459 2.185 1.009 157 HG21 VAL 20 HG21 VAL 20 0.205 3.766 -1.549 158 HG22 VAL 20 HG22 VAL 20 1.679 3.153 -2.296 159 HG23 VAL 20 HG23 VAL 20 0.621 2.058 -1.409 160 H ILE 21 H ILE 21 1.093 5.648 -2.127 161 HA ILE 21 HA ILE 21 -0.512 7.624 -0.624 162 HB ILE 21 HB ILE 21 -0.843 7.068 -3.542 163 HG12 ILE 21 HG12 ILE 21 1.498 8.592 -2.377 164 HG13 ILE 21 HG13 ILE 21 1.600 7.014 -3.165 165 HG21 ILE 21 HG21 ILE 21 -2.223 8.756 -2.474 166 HG22 ILE 21 HG22 ILE 21 -0.783 9.595 -1.898 167 HG23 ILE 21 HG23 ILE 21 -1.120 9.506 -3.627 168 HD11 ILE 21 HD11 ILE 21 2.305 8.797 -4.656 169 HD12 ILE 21 HD12 ILE 21 0.834 8.034 -5.260 170 HD13 ILE 21 HD13 ILE 21 0.749 9.605 -4.463 171 H VAL 22 H VAL 22 -2.212 6.772 0.361 172 HA VAL 22 HA VAL 22 -3.742 4.659 -1.004 173 HB VAL 22 HB VAL 22 -3.938 5.499 1.892 174 HG11 VAL 22 HG11 VAL 22 -5.180 3.416 2.153 175 HG12 VAL 22 HG12 VAL 22 -5.962 4.498 0.998 176 HG13 VAL 22 HG13 VAL 22 -5.035 3.113 0.422 177 HG21 VAL 22 HG21 VAL 22 -2.731 3.424 2.399 178 HG22 VAL 22 HG22 VAL 22 -2.478 3.162 0.674 179 HG23 VAL 22 HG23 VAL 22 -1.746 4.555 1.471 180 H THR 23 H THR 23 -5.511 5.331 -2.000 181 HA THR 23 HA THR 23 -6.785 7.770 -0.997 182 HB THR 23 HB THR 23 -5.786 7.176 -3.759 183 HG1 THR 23 HG1 THR 23 -4.354 8.515 -3.080 184 HG21 THR 23 HG21 THR 23 -7.774 9.336 -3.018 185 HG22 THR 23 HG22 THR 23 -8.120 7.929 -4.024 186 HG23 THR 23 HG23 THR 23 -6.981 9.154 -4.584 187 H HIS 24 H HIS 24 -8.918 7.828 -0.997 188 HA HIS 24 HA HIS 24 -10.444 5.972 -2.713 189 HB2 HIS 24 HB2 HIS 24 -10.766 5.126 -0.488 190 HB3 HIS 24 HB3 HIS 24 -10.922 6.742 0.184 191 HD1 HIS 24 HD1 HIS 24 -13.237 7.722 0.330 192 HD2 HIS 24 HD2 HIS 24 -13.096 4.236 -1.947 193 HE1 HIS 24 HE1 HIS 24 -15.630 7.079 -0.075 194 HE2 HIS 24 HE2 HIS 24 -15.531 5.075 -1.594 195 H SER 25 H SER 25 -11.179 7.326 -4.240 196 HA SER 25 HA SER 25 -12.105 9.097 -5.317 197 HB2 SER 25 HB2 SER 25 -13.962 8.846 -3.720 198 HB3 SER 25 HB3 SER 25 -13.124 9.893 -2.576 199 HG SER 25 HG SER 25 -14.265 11.371 -3.570 200 H ASN 26 H ASN 26 -10.627 10.081 -2.250 201 HA ASN 26 HA ASN 26 -8.794 11.904 -3.417 202 HB2 ASN 26 HB2 ASN 26 -10.788 13.306 -3.683 203 HB3 ASN 26 HB3 ASN 26 -11.181 13.103 -1.980 204 HD21 ASN 26 HD21 ASN 26 -9.049 14.619 -4.273 205 HD22 ASN 26 HD22 ASN 26 -8.365 15.774 -3.175 206 H GLU 27 H GLU 27 -10.560 10.690 -0.685 207 HA GLU 27 HA GLU 27 -9.084 11.434 1.512 208 HB2 GLU 27 HB2 GLU 27 -11.130 9.898 1.253 209 HB3 GLU 27 HB3 GLU 27 -9.969 8.600 1.086 210 HG2 GLU 27 HG2 GLU 27 -10.587 10.299 3.463 211 HG3 GLU 27 HG3 GLU 27 -10.580 8.538 3.311 212 H ARG 28 H ARG 28 -6.924 11.388 1.715 213 HA ARG 28 HA ARG 28 -5.510 9.001 0.751 214 HB2 ARG 28 HB2 ARG 28 -5.251 10.897 -0.845 215 HB3 ARG 28 HB3 ARG 28 -4.500 11.831 0.435 216 HG2 ARG 28 HG2 ARG 28 -3.352 9.183 -0.384 217 HG3 ARG 28 HG3 ARG 28 -3.013 10.643 -1.312 218 HD2 ARG 28 HD2 ARG 28 -2.352 10.074 1.567 219 HD3 ARG 28 HD3 ARG 28 -1.233 10.362 0.233 220 HE ARG 28 HE ARG 28 -3.073 12.523 0.933 221 HH11 ARG 28 HH11 ARG 28 0.196 11.259 1.037 222 HH12 ARG 28 HH12 ARG 28 0.883 12.757 1.562 223 HH21 ARG 28 HH21 ARG 28 -2.180 14.471 1.621 224 HH22 ARG 28 HH22 ARG 28 -0.470 14.590 1.913 225 H TYR 29 H TYR 29 -4.394 8.063 2.219 226 HA TYR 29 HA TYR 29 -3.191 9.611 4.421 227 HB2 TYR 29 HB2 TYR 29 -4.382 6.844 4.394 228 HB3 TYR 29 HB3 TYR 29 -3.157 7.283 5.574 229 HD1 TYR 29 HD1 TYR 29 -3.711 9.583 6.850 230 HD2 TYR 29 HD2 TYR 29 -6.571 7.017 5.031 231 HE1 TYR 29 HE1 TYR 29 -5.454 10.473 8.341 232 HE2 TYR 29 HE2 TYR 29 -8.318 7.903 6.510 233 HH TYR 29 HH TYR 29 -8.583 9.003 8.569 234 H ASP 30 H ASP 30 -0.996 9.372 4.667 235 HA ASP 30 HA ASP 30 0.419 7.789 2.710 236 HB2 ASP 30 HB2 ASP 30 1.438 9.244 5.175 237 HB3 ASP 30 HB3 ASP 30 2.456 8.487 3.956 238 H LEU 31 H LEU 31 0.751 5.726 2.900 239 HA LEU 31 HA LEU 31 0.508 4.458 5.549 240 HB2 LEU 31 HB2 LEU 31 -1.091 4.105 3.314 241 HB3 LEU 31 HB3 LEU 31 0.031 2.767 3.202 242 HG LEU 31 HG LEU 31 -2.163 2.273 4.344 243 HD11 LEU 31 HD11 LEU 31 -1.112 0.965 6.143 244 HD12 LEU 31 HD12 LEU 31 -0.176 0.859 4.651 245 HD13 LEU 31 HD13 LEU 31 0.376 1.896 5.967 246 HD21 LEU 31 HD21 LEU 31 -0.927 3.991 6.517 247 HD22 LEU 31 HD22 LEU 31 -2.349 4.397 5.555 248 HD23 LEU 31 HD23 LEU 31 -2.397 3.025 6.662 249 H LEU 32 H LEU 32 1.874 2.485 5.796 250 HA LEU 32 HA LEU 32 4.372 3.021 4.353 251 HB2 LEU 32 HB2 LEU 32 4.913 3.551 6.488 252 HB3 LEU 32 HB3 LEU 32 3.748 2.433 7.189 253 HG LEU 32 HG LEU 32 6.169 1.292 5.859 254 HD11 LEU 32 HD11 LEU 32 7.454 1.579 7.920 255 HD12 LEU 32 HD12 LEU 32 7.057 3.135 7.192 256 HD13 LEU 32 HD13 LEU 32 6.156 2.562 8.596 257 HD21 LEU 32 HD21 LEU 32 5.955 -0.337 7.665 258 HD22 LEU 32 HD22 LEU 32 4.627 0.592 8.359 259 HD23 LEU 32 HD23 LEU 32 4.436 -0.177 6.783 260 H VAL 33 H VAL 33 5.492 1.421 3.418 261 HA VAL 33 HA VAL 33 4.036 -0.781 2.455 262 HB VAL 33 HB VAL 33 6.668 0.377 1.939 263 HG11 VAL 33 HG11 VAL 33 7.833 -1.638 1.215 264 HG12 VAL 33 HG12 VAL 33 7.567 -1.649 2.958 265 HG13 VAL 33 HG13 VAL 33 6.555 -2.638 1.904 266 HG21 VAL 33 HG21 VAL 33 6.247 -0.524 -0.284 267 HG22 VAL 33 HG22 VAL 33 4.901 -1.473 0.347 268 HG23 VAL 33 HG23 VAL 33 4.819 0.289 0.356 269 H THR 34 H THR 34 4.509 -3.101 2.766 270 HA THR 34 HA THR 34 4.351 -3.349 5.639 271 HB THR 34 HB THR 34 3.878 -5.460 3.527 272 HG1 THR 34 HG1 THR 34 2.551 -3.421 3.500 273 HG21 THR 34 HG21 THR 34 4.207 -6.360 5.783 274 HG22 THR 34 HG22 THR 34 2.529 -6.538 5.269 275 HG23 THR 34 HG23 THR 34 2.976 -5.264 6.406 276 HA PRO 35 HA PRO 35 8.565 -4.552 5.895 277 HB2 PRO 35 HB2 PRO 35 8.627 -4.841 8.568 278 HB3 PRO 35 HB3 PRO 35 8.550 -3.257 7.795 279 HG2 PRO 35 HG2 PRO 35 6.318 -4.880 8.971 280 HG3 PRO 35 HG3 PRO 35 6.672 -3.153 9.180 281 HD2 PRO 35 HD2 PRO 35 4.810 -4.036 7.438 282 HD3 PRO 35 HD3 PRO 35 5.799 -2.595 7.116 283 H GLN 36 H GLN 36 9.817 -6.320 6.755 284 HA GLN 36 HA GLN 36 10.335 -8.492 7.005 285 HB2 GLN 36 HB2 GLN 36 7.383 -9.007 7.417 286 HB3 GLN 36 HB3 GLN 36 8.680 -10.157 7.708 287 HG2 GLN 36 HG2 GLN 36 9.561 -8.768 9.480 288 HG3 GLN 36 HG3 GLN 36 8.338 -7.540 9.154 289 HE21 GLN 36 HE21 GLN 36 7.428 -7.621 11.176 290 HE22 GLN 36 HE22 GLN 36 6.525 -8.984 11.745 291 H GLN 37 H GLN 37 10.721 -7.883 4.695 292 HA GLN 37 HA GLN 37 9.768 -10.064 3.041 293 HB2 GLN 37 HB2 GLN 37 8.575 -7.509 2.645 294 HB3 GLN 37 HB3 GLN 37 9.800 -7.674 1.406 295 HG2 GLN 37 HG2 GLN 37 7.426 -9.440 1.877 296 HG3 GLN 37 HG3 GLN 37 7.816 -8.477 0.447 297 HE21 GLN 37 HE21 GLN 37 9.420 -9.183 -0.949 298 HE22 GLN 37 HE22 GLN 37 9.977 -10.825 -0.969 299 H GLY 38 H GLY 38 11.050 -7.084 1.900 300 HA2 GLY 38 HA2 GLY 38 13.816 -7.706 2.406 301 HA3 GLY 38 HA3 GLY 38 13.356 -7.738 0.697 302 H ASN 39 H ASN 39 11.748 -5.800 3.008 303 HA ASN 39 HA ASN 39 10.999 -3.708 2.959 304 HB2 ASN 39 HB2 ASN 39 12.656 -1.894 3.040 305 HB3 ASN 39 HB3 ASN 39 13.007 -3.240 4.124 306 HD21 ASN 39 HD21 ASN 39 14.914 -4.276 3.953 307 HD22 ASN 39 HD22 ASN 39 16.137 -3.889 2.795 308 H SER 40 H SER 40 12.844 -4.438 0.074 309 HA SER 40 HA SER 40 11.898 -2.043 -1.239 310 HB2 SER 40 HB2 SER 40 13.452 -4.374 -2.385 311 HB3 SER 40 HB3 SER 40 13.253 -2.774 -3.114 312 HG SER 40 HG SER 40 14.243 -2.718 -0.545 313 H GLU 41 H GLU 41 11.052 -5.438 -1.070 314 HA GLU 41 HA GLU 41 8.966 -4.945 -3.053 315 HB2 GLU 41 HB2 GLU 41 9.208 -7.309 -3.813 316 HB3 GLU 41 HB3 GLU 41 10.597 -6.305 -4.190 317 HG2 GLU 41 HG2 GLU 41 10.488 -8.153 -1.820 318 HG3 GLU 41 HG3 GLU 41 11.095 -8.632 -3.403 319 HA PRO 42 HA PRO 42 7.009 -5.768 0.901 320 HB2 PRO 42 HB2 PRO 42 4.635 -4.986 -0.675 321 HB3 PRO 42 HB3 PRO 42 5.250 -4.325 0.843 322 HG2 PRO 42 HG2 PRO 42 5.476 -2.982 -1.450 323 HG3 PRO 42 HG3 PRO 42 6.750 -2.933 -0.218 324 HD2 PRO 42 HD2 PRO 42 6.644 -4.467 -2.779 325 HD3 PRO 42 HD3 PRO 42 8.016 -3.636 -2.019 326 H VAL 43 H VAL 43 5.133 -7.052 1.607 327 HA VAL 43 HA VAL 43 5.137 -9.584 0.252 328 HB VAL 43 HB VAL 43 3.657 -10.348 2.058 329 HG11 VAL 43 HG11 VAL 43 6.071 -8.820 3.003 330 HG12 VAL 43 HG12 VAL 43 5.235 -10.075 3.919 331 HG13 VAL 43 HG13 VAL 43 6.041 -10.478 2.404 332 HG21 VAL 43 HG21 VAL 43 2.402 -8.293 2.431 333 HG22 VAL 43 HG22 VAL 43 3.127 -8.867 3.934 334 HG23 VAL 43 HG23 VAL 43 3.852 -7.512 3.067 335 H VAL 44 H VAL 44 3.139 -10.753 -0.245 336 HA VAL 44 HA VAL 44 1.463 -9.538 -2.080 337 HB VAL 44 HB VAL 44 -0.145 -11.498 -1.424 338 HG11 VAL 44 HG11 VAL 44 1.270 -11.405 -3.434 339 HG12 VAL 44 HG12 VAL 44 2.632 -12.013 -2.493 340 HG13 VAL 44 HG13 VAL 44 1.214 -13.029 -2.748 341 HG21 VAL 44 HG21 VAL 44 2.403 -12.269 -0.002 342 HG22 VAL 44 HG22 VAL 44 0.852 -11.922 0.762 343 HG23 VAL 44 HG23 VAL 44 1.022 -13.329 -0.288 344 H GLN 45 H GLN 45 1.243 -9.620 1.351 345 HA GLN 45 HA GLN 45 -1.481 -8.900 1.661 346 HB2 GLN 45 HB2 GLN 45 0.845 -8.435 3.540 347 HB3 GLN 45 HB3 GLN 45 -0.855 -8.315 3.965 348 HG2 GLN 45 HG2 GLN 45 -1.151 -10.687 3.546 349 HG3 GLN 45 HG3 GLN 45 0.536 -10.819 3.048 350 HE21 GLN 45 HE21 GLN 45 -0.479 -8.768 5.670 351 HE22 GLN 45 HE22 GLN 45 0.242 -9.688 6.943 352 H ASP 46 H ASP 46 1.380 -7.047 0.908 353 HA ASP 46 HA ASP 46 0.972 -4.770 2.466 354 HB2 ASP 46 HB2 ASP 46 3.119 -5.110 1.562 355 HB3 ASP 46 HB3 ASP 46 2.489 -5.266 -0.069 356 H LEU 47 H LEU 47 0.052 -5.247 -0.962 357 HA LEU 47 HA LEU 47 -0.746 -2.625 -1.367 358 HB2 LEU 47 HB2 LEU 47 -1.444 -3.364 -3.407 359 HB3 LEU 47 HB3 LEU 47 -0.333 -4.628 -2.975 360 HG LEU 47 HG LEU 47 -3.304 -4.869 -2.577 361 HD11 LEU 47 HD11 LEU 47 -3.294 -6.202 -4.610 362 HD12 LEU 47 HD12 LEU 47 -2.804 -4.539 -4.930 363 HD13 LEU 47 HD13 LEU 47 -1.590 -5.816 -4.858 364 HD21 LEU 47 HD21 LEU 47 -1.070 -6.893 -2.648 365 HD22 LEU 47 HD22 LEU 47 -1.931 -6.349 -1.208 366 HD23 LEU 47 HD23 LEU 47 -2.788 -7.250 -2.458 367 H ALA 48 H ALA 48 -2.548 -5.450 -0.256 368 HA ALA 48 HA ALA 48 -5.058 -4.153 0.037 369 HB1 ALA 48 HB1 ALA 48 -5.659 -6.102 1.387 370 HB2 ALA 48 HB2 ALA 48 -4.835 -6.596 -0.091 371 HB3 ALA 48 HB3 ALA 48 -3.968 -6.596 1.444 372 H GLN 49 H GLN 49 -2.261 -4.638 2.013 373 HA GLN 49 HA GLN 49 -3.297 -4.032 4.526 374 HB2 GLN 49 HB2 GLN 49 -1.175 -5.158 4.265 375 HB3 GLN 49 HB3 GLN 49 -0.518 -3.816 3.362 376 HG2 GLN 49 HG2 GLN 49 0.457 -3.404 5.338 377 HG3 GLN 49 HG3 GLN 49 -1.042 -2.508 5.579 378 HE21 GLN 49 HE21 GLN 49 -0.925 -2.697 7.827 379 HE22 GLN 49 HE22 GLN 49 -1.244 -4.199 8.635 380 H LEU 50 H LEU 50 -1.559 -2.118 2.188 381 HA LEU 50 HA LEU 50 -1.315 0.246 3.654 382 HB2 LEU 50 HB2 LEU 50 -1.591 -0.169 0.678 383 HB3 LEU 50 HB3 LEU 50 -0.981 1.287 1.440 384 HG LEU 50 HG LEU 50 0.363 -1.406 1.686 385 HD11 LEU 50 HD11 LEU 50 0.403 -0.644 -0.624 386 HD12 LEU 50 HD12 LEU 50 1.038 0.917 -0.105 387 HD13 LEU 50 HD13 LEU 50 2.004 -0.544 0.110 388 HD21 LEU 50 HD21 LEU 50 0.826 0.078 3.532 389 HD22 LEU 50 HD22 LEU 50 2.245 -0.098 2.499 390 HD23 LEU 50 HD23 LEU 50 1.265 1.364 2.407 391 H VAL 51 H VAL 51 -3.698 -0.603 1.180 392 HA VAL 51 HA VAL 51 -5.256 1.747 1.368 393 HB VAL 51 HB VAL 51 -5.139 -0.536 -0.181 394 HG11 VAL 51 HG11 VAL 51 -6.794 -1.664 1.158 395 HG12 VAL 51 HG12 VAL 51 -7.876 -0.276 1.031 396 HG13 VAL 51 HG13 VAL 51 -7.481 -1.222 -0.404 397 HG21 VAL 51 HG21 VAL 51 -6.690 0.720 -1.608 398 HG22 VAL 51 HG22 VAL 51 -6.975 1.831 -0.267 399 HG23 VAL 51 HG23 VAL 51 -5.367 1.702 -0.979 400 H GLU 52 H GLU 52 -5.331 -1.341 3.054 401 HA GLU 52 HA GLU 52 -7.807 -0.960 4.397 402 HB2 GLU 52 HB2 GLU 52 -7.132 -3.190 4.220 403 HB3 GLU 52 HB3 GLU 52 -5.480 -2.834 4.701 404 HG2 GLU 52 HG2 GLU 52 -6.206 -2.470 6.987 405 HG3 GLU 52 HG3 GLU 52 -7.878 -2.756 6.515 406 H GLU 53 H GLU 53 -4.411 -0.525 5.315 407 HA GLU 53 HA GLU 53 -4.978 -0.034 8.056 408 HB2 GLU 53 HB2 GLU 53 -2.853 -0.995 7.274 409 HB3 GLU 53 HB3 GLU 53 -2.464 0.523 6.478 410 HG2 GLU 53 HG2 GLU 53 -2.318 1.655 8.586 411 HG3 GLU 53 HG3 GLU 53 -2.881 0.218 9.442 412 H ALA 54 H ALA 54 -4.857 1.962 5.235 413 HA ALA 54 HA ALA 54 -4.234 4.431 6.349 414 HB1 ALA 54 HB1 ALA 54 -6.224 3.868 4.157 415 HB2 ALA 54 HB2 ALA 54 -5.455 5.420 4.485 416 HB3 ALA 54 HB3 ALA 54 -4.482 4.049 3.949 417 H THR 55 H THR 55 -7.489 2.961 6.009 418 HA THR 55 HA THR 55 -8.419 4.945 7.975 419 HB THR 55 HB THR 55 -10.731 3.983 7.053 420 HG1 THR 55 HG1 THR 55 -10.347 2.761 5.366 421 HG21 THR 55 HG21 THR 55 -10.067 6.331 7.053 422 HG22 THR 55 HG22 THR 55 -10.772 5.887 5.497 423 HG23 THR 55 HG23 THR 55 -9.023 6.047 5.658 424 H GLY 56 H GLY 56 -7.471 1.787 7.848 425 HA2 GLY 56 HA2 GLY 56 -7.517 0.227 9.556 426 HA3 GLY 56 HA3 GLY 56 -8.589 1.293 10.453 427 H VAL 57 H VAL 57 -9.464 0.453 7.220 428 HA VAL 57 HA VAL 57 -11.741 -1.025 8.306 429 HB VAL 57 HB VAL 57 -12.652 -0.752 5.937 430 HG11 VAL 57 HG11 VAL 57 -12.148 1.679 7.643 431 HG12 VAL 57 HG12 VAL 57 -13.389 1.545 6.395 432 HG13 VAL 57 HG13 VAL 57 -13.467 0.524 7.830 433 HG21 VAL 57 HG21 VAL 57 -10.430 1.283 5.806 434 HG22 VAL 57 HG22 VAL 57 -10.540 -0.187 4.839 435 HG23 VAL 57 HG23 VAL 57 -11.733 1.096 4.632 436 HA PRO 58 HA PRO 58 -10.418 -4.961 7.067 437 HB2 PRO 58 HB2 PRO 58 -12.754 -6.135 6.387 438 HB3 PRO 58 HB3 PRO 58 -12.337 -5.733 8.057 439 HG2 PRO 58 HG2 PRO 58 -13.982 -4.154 6.097 440 HG3 PRO 58 HG3 PRO 58 -14.383 -4.592 7.777 441 HD2 PRO 58 HD2 PRO 58 -13.424 -2.176 7.184 442 HD3 PRO 58 HD3 PRO 58 -12.885 -3.023 8.652 443 H LEU 59 H LEU 59 -10.111 -6.409 5.339 444 HA LEU 59 HA LEU 59 -9.534 -5.356 2.895 445 HB2 LEU 59 HB2 LEU 59 -10.393 -8.191 3.441 446 HB3 LEU 59 HB3 LEU 59 -9.515 -7.649 2.025 447 HG LEU 59 HG LEU 59 -8.496 -7.608 4.868 448 HD11 LEU 59 HD11 LEU 59 -6.902 -9.285 4.040 449 HD12 LEU 59 HD12 LEU 59 -8.573 -9.843 3.944 450 HD13 LEU 59 HD13 LEU 59 -7.742 -9.297 2.489 451 HD21 LEU 59 HD21 LEU 59 -7.642 -5.712 3.602 452 HD22 LEU 59 HD22 LEU 59 -6.369 -6.901 3.879 453 HD23 LEU 59 HD23 LEU 59 -7.144 -6.790 2.298 454 HA PRO 60 HA PRO 60 -13.752 -6.858 1.019 455 HB2 PRO 60 HB2 PRO 60 -15.623 -6.764 3.285 456 HB3 PRO 60 HB3 PRO 60 -15.401 -8.016 2.057 457 HG2 PRO 60 HG2 PRO 60 -14.611 -8.427 4.551 458 HG3 PRO 60 HG3 PRO 60 -13.624 -8.998 3.194 459 HD2 PRO 60 HD2 PRO 60 -13.310 -6.497 4.832 460 HD3 PRO 60 HD3 PRO 60 -12.078 -7.707 4.428 461 H PHE 61 H PHE 61 -13.476 -4.374 3.431 462 HA PHE 61 HA PHE 61 -15.783 -2.885 2.545 463 HB2 PHE 61 HB2 PHE 61 -13.786 -2.657 4.675 464 HB3 PHE 61 HB3 PHE 61 -14.282 -1.110 3.991 465 HD1 PHE 61 HD1 PHE 61 -15.816 -4.308 5.173 466 HD2 PHE 61 HD2 PHE 61 -16.082 -0.067 4.951 467 HE1 PHE 61 HE1 PHE 61 -17.849 -4.368 6.551 468 HE2 PHE 61 HE2 PHE 61 -18.120 -0.121 6.331 469 HZ PHE 61 HZ PHE 61 -19.004 -2.272 7.134 470 H GLN 62 H GLN 62 -12.489 -3.111 1.639 471 HA GLN 62 HA GLN 62 -12.849 -0.717 -0.020 472 HB2 GLN 62 HB2 GLN 62 -10.368 -0.588 -0.130 473 HB3 GLN 62 HB3 GLN 62 -11.027 -0.238 1.446 474 HG2 GLN 62 HG2 GLN 62 -10.444 -3.030 1.268 475 HG3 GLN 62 HG3 GLN 62 -9.042 -2.100 0.726 476 HE21 GLN 62 HE21 GLN 62 -9.474 -3.694 3.156 477 HE22 GLN 62 HE22 GLN 62 -9.160 -2.623 4.476 478 H LYS 63 H LYS 63 -12.213 -0.866 -2.201 479 HA LYS 63 HA LYS 63 -11.163 -3.484 -3.024 480 HB2 LYS 63 HB2 LYS 63 -13.390 -3.001 -4.013 481 HB3 LYS 63 HB3 LYS 63 -12.729 -1.536 -4.730 482 HG2 LYS 63 HG2 LYS 63 -11.344 -2.741 -6.190 483 HG3 LYS 63 HG3 LYS 63 -11.561 -4.242 -5.290 484 HD2 LYS 63 HD2 LYS 63 -13.914 -4.302 -5.969 485 HD3 LYS 63 HD3 LYS 63 -13.689 -2.799 -6.869 486 HE2 LYS 63 HE2 LYS 63 -12.207 -3.836 -8.400 487 HE3 LYS 63 HE3 LYS 63 -12.079 -5.283 -7.401 488 HZ1 LYS 63 HZ1 LYS 63 -14.354 -5.817 -7.879 489 HZ2 LYS 63 HZ2 LYS 63 -13.528 -5.581 -9.340 490 HZ3 LYS 63 HZ3 LYS 63 -14.565 -4.376 -8.749 491 H LEU 64 H LEU 64 -9.083 -3.074 -2.800 492 HA LEU 64 HA LEU 64 -7.935 -0.564 -3.543 493 HB2 LEU 64 HB2 LEU 64 -7.058 -1.604 -1.585 494 HB3 LEU 64 HB3 LEU 64 -6.866 -3.140 -2.415 495 HG LEU 64 HG LEU 64 -4.789 -1.692 -1.839 496 HD11 LEU 64 HD11 LEU 64 -3.595 -2.516 -3.800 497 HD12 LEU 64 HD12 LEU 64 -4.671 -3.742 -3.131 498 HD13 LEU 64 HD13 LEU 64 -5.134 -2.864 -4.589 499 HD21 LEU 64 HD21 LEU 64 -5.692 -0.385 -4.389 500 HD22 LEU 64 HD22 LEU 64 -5.582 0.379 -2.802 501 HD23 LEU 64 HD23 LEU 64 -4.118 -0.170 -3.619 502 H ILE 65 H ILE 65 -7.462 -0.058 -5.467 503 HA ILE 65 HA ILE 65 -6.318 -2.048 -7.328 504 HB ILE 65 HB ILE 65 -7.870 0.467 -7.908 505 HG12 ILE 65 HG12 ILE 65 -9.274 -1.346 -6.930 506 HG13 ILE 65 HG13 ILE 65 -9.737 -0.929 -8.571 507 HG21 ILE 65 HG21 ILE 65 -6.860 -1.691 -9.768 508 HG22 ILE 65 HG22 ILE 65 -7.905 -0.353 -10.245 509 HG23 ILE 65 HG23 ILE 65 -6.274 -0.031 -9.657 510 HD11 ILE 65 HD11 ILE 65 -8.101 -3.313 -7.749 511 HD12 ILE 65 HD12 ILE 65 -9.798 -3.326 -8.228 512 HD13 ILE 65 HD13 ILE 65 -8.554 -2.899 -9.401 513 H PHE 66 H PHE 66 -4.156 -1.592 -7.141 514 HA PHE 66 HA PHE 66 -3.324 0.697 -8.491 515 HB2 PHE 66 HB2 PHE 66 -3.521 1.240 -5.794 516 HB3 PHE 66 HB3 PHE 66 -1.797 0.993 -6.099 517 HD1 PHE 66 HD1 PHE 66 -1.190 2.020 -8.624 518 HD2 PHE 66 HD2 PHE 66 -4.107 3.460 -5.885 519 HE1 PHE 66 HE1 PHE 66 -1.013 4.260 -9.619 520 HE2 PHE 66 HE2 PHE 66 -3.939 5.703 -6.877 521 HZ PHE 66 HZ PHE 66 -2.472 6.053 -8.874 522 H LYS 67 H LYS 67 -1.177 0.679 -9.118 523 HA LYS 67 HA LYS 67 0.779 -0.222 -9.751 524 HB2 LYS 67 HB2 LYS 67 1.491 -2.305 -8.071 525 HB3 LYS 67 HB3 LYS 67 2.007 -0.648 -7.937 526 HG2 LYS 67 HG2 LYS 67 0.349 -0.207 -6.241 527 HG3 LYS 67 HG3 LYS 67 -0.366 -1.825 -6.434 528 HD2 LYS 67 HD2 LYS 67 1.891 -2.761 -5.769 529 HD3 LYS 67 HD3 LYS 67 2.427 -1.118 -5.431 530 HE2 LYS 67 HE2 LYS 67 0.258 -1.115 -3.904 531 HE3 LYS 67 HE3 LYS 67 0.520 -2.858 -3.934 532 HZ1 LYS 67 HZ1 LYS 67 2.859 -2.381 -3.197 533 HZ2 LYS 67 HZ2 LYS 67 1.671 -2.027 -2.048 534 HZ3 LYS 67 HZ3 LYS 67 2.390 -0.776 -2.929 535 H GLY 68 H GLY 68 -1.688 -1.193 -10.688 536 HA2 GLY 68 HA2 GLY 68 -2.560 -2.845 -11.982 537 HA3 GLY 68 HA3 GLY 68 -0.925 -3.472 -12.150 538 H LYS 69 H LYS 69 -2.053 -3.126 -8.988 539 HA LYS 69 HA LYS 69 -2.660 -6.003 -8.851 540 HB2 LYS 69 HB2 LYS 69 -1.157 -4.341 -6.828 541 HB3 LYS 69 HB3 LYS 69 -1.505 -6.060 -6.703 542 HG2 LYS 69 HG2 LYS 69 -0.058 -6.571 -8.515 543 HG3 LYS 69 HG3 LYS 69 0.127 -4.863 -8.923 544 HD2 LYS 69 HD2 LYS 69 2.094 -5.600 -7.758 545 HD3 LYS 69 HD3 LYS 69 1.188 -4.506 -6.709 546 HE2 LYS 69 HE2 LYS 69 1.928 -6.389 -5.411 547 HE3 LYS 69 HE3 LYS 69 0.184 -6.482 -5.603 548 HZ1 LYS 69 HZ1 LYS 69 1.470 -8.589 -5.929 549 HZ2 LYS 69 HZ2 LYS 69 2.042 -7.930 -7.381 550 HZ3 LYS 69 HZ3 LYS 69 0.383 -8.181 -7.157 551 H SER 70 H SER 70 -4.170 -6.634 -7.305 552 HA SER 70 HA SER 70 -5.832 -4.457 -6.255 553 HB2 SER 70 HB2 SER 70 -6.846 -5.601 -8.253 554 HB3 SER 70 HB3 SER 70 -6.871 -7.098 -7.320 555 HG SER 70 HG SER 70 -8.089 -4.721 -6.380 556 H LEU 71 H LEU 71 -6.814 -4.821 -4.207 557 HA LEU 71 HA LEU 71 -5.125 -6.347 -2.501 558 HB2 LEU 71 HB2 LEU 71 -6.150 -5.366 -0.735 559 HB3 LEU 71 HB3 LEU 71 -6.682 -4.247 -1.988 560 HG LEU 71 HG LEU 71 -8.350 -6.581 -1.037 561 HD11 LEU 71 HD11 LEU 71 -7.895 -5.146 0.854 562 HD12 LEU 71 HD12 LEU 71 -8.369 -3.728 -0.082 563 HD13 LEU 71 HD13 LEU 71 -9.568 -4.955 0.327 564 HD21 LEU 71 HD21 LEU 71 -8.974 -5.670 -3.217 565 HD22 LEU 71 HD22 LEU 71 -10.198 -5.317 -1.996 566 HD23 LEU 71 HD23 LEU 71 -9.078 -4.056 -2.514 567 H LYS 72 H LYS 72 -5.277 -8.308 -1.686 568 HA LYS 72 HA LYS 72 -7.768 -9.520 -1.104 569 HB2 LYS 72 HB2 LYS 72 -6.150 -10.568 -3.409 570 HB3 LYS 72 HB3 LYS 72 -6.958 -11.719 -2.364 571 HG2 LYS 72 HG2 LYS 72 -8.320 -9.513 -3.902 572 HG3 LYS 72 HG3 LYS 72 -8.234 -11.199 -4.399 573 HD2 LYS 72 HD2 LYS 72 -10.318 -11.127 -3.413 574 HD3 LYS 72 HD3 LYS 72 -9.317 -11.642 -2.056 575 HE2 LYS 72 HE2 LYS 72 -9.210 -9.331 -1.260 576 HE3 LYS 72 HE3 LYS 72 -10.199 -8.812 -2.622 577 HZ1 LYS 72 HZ1 LYS 72 -11.017 -10.590 -0.388 578 HZ2 LYS 72 HZ2 LYS 72 -11.968 -10.310 -1.765 579 HZ3 LYS 72 HZ3 LYS 72 -11.588 -9.027 -0.723 580 H GLU 73 H GLU 73 -7.132 -12.009 -0.449 581 HA GLU 73 HA GLU 73 -5.122 -11.704 1.602 582 HB2 GLU 73 HB2 GLU 73 -6.756 -14.122 0.808 583 HB3 GLU 73 HB3 GLU 73 -5.799 -13.963 2.275 584 HG2 GLU 73 HG2 GLU 73 -7.260 -12.368 3.181 585 HG3 GLU 73 HG3 GLU 73 -8.049 -12.093 1.628 586 H MET 74 H MET 74 -3.100 -11.645 0.742 587 HA MET 74 HA MET 74 -1.121 -12.438 -0.061 588 HB2 MET 74 HB2 MET 74 -2.480 -15.144 -0.108 589 HB3 MET 74 HB3 MET 74 -0.749 -14.841 -0.120 590 HG2 MET 74 HG2 MET 74 -2.540 -14.024 2.148 591 HG3 MET 74 HG3 MET 74 -1.738 -15.590 2.066 592 HE1 MET 74 HE1 MET 74 1.999 -14.743 2.414 593 HE2 MET 74 HE2 MET 74 0.767 -16.003 2.472 594 HE3 MET 74 HE3 MET 74 1.076 -15.140 0.965 595 H GLU 75 H GLU 75 -2.387 -11.164 -1.962 596 HA GLU 75 HA GLU 75 -3.304 -12.768 -4.059 597 HB2 GLU 75 HB2 GLU 75 -3.745 -10.634 -5.178 598 HB3 GLU 75 HB3 GLU 75 -4.305 -10.700 -3.517 599 HG2 GLU 75 HG2 GLU 75 -3.437 -8.676 -3.380 600 HG3 GLU 75 HG3 GLU 75 -1.926 -9.549 -3.136 601 H THR 76 H THR 76 -1.174 -10.204 -5.180 602 HA THR 76 HA THR 76 0.022 -12.358 -6.797 603 HB THR 76 HB THR 76 0.319 -10.637 -8.609 604 HG1 THR 76 HG1 THR 76 -1.529 -9.150 -6.996 605 HG21 THR 76 HG21 THR 76 -1.433 -12.332 -8.667 606 HG22 THR 76 HG22 THR 76 -2.003 -10.813 -9.360 607 HG23 THR 76 HG23 THR 76 -2.495 -11.280 -7.730 608 HA PRO 77 HA PRO 77 4.338 -12.200 -6.401 609 HB2 PRO 77 HB2 PRO 77 4.221 -10.136 -8.573 610 HB3 PRO 77 HB3 PRO 77 5.379 -11.454 -8.345 611 HG2 PRO 77 HG2 PRO 77 3.143 -11.626 -9.941 612 HG3 PRO 77 HG3 PRO 77 3.959 -13.018 -9.211 613 HD2 PRO 77 HD2 PRO 77 1.321 -12.068 -8.665 614 HD3 PRO 77 HD3 PRO 77 2.185 -13.381 -7.840 615 H LEU 78 H LEU 78 5.391 -11.398 -4.861 616 HA LEU 78 HA LEU 78 4.943 -8.925 -3.588 617 HB2 LEU 78 HB2 LEU 78 7.124 -10.967 -3.257 618 HB3 LEU 78 HB3 LEU 78 6.889 -9.601 -2.189 619 HG LEU 78 HG LEU 78 4.526 -10.539 -1.865 620 HD11 LEU 78 HD11 LEU 78 4.361 -12.987 -2.096 621 HD12 LEU 78 HD12 LEU 78 4.526 -12.174 -3.653 622 HD13 LEU 78 HD13 LEU 78 5.912 -12.994 -2.933 623 HD21 LEU 78 HD21 LEU 78 6.908 -12.027 -0.772 624 HD22 LEU 78 HD22 LEU 78 6.239 -10.528 -0.130 625 HD23 LEU 78 HD23 LEU 78 5.291 -12.014 -0.070 626 H SER 79 H SER 79 7.507 -10.013 -5.759 627 HA SER 79 HA SER 79 9.190 -7.815 -5.592 628 HB2 SER 79 HB2 SER 79 9.636 -9.916 -6.880 629 HB3 SER 79 HB3 SER 79 8.518 -9.344 -8.115 630 HG SER 79 HG SER 79 10.706 -7.750 -7.295 631 H ALA 80 H ALA 80 6.214 -8.243 -7.348 632 HA ALA 80 HA ALA 80 6.291 -5.694 -8.674 633 HB1 ALA 80 HB1 ALA 80 5.205 -7.623 -9.720 634 HB2 ALA 80 HB2 ALA 80 4.027 -7.669 -8.407 635 HB3 ALA 80 HB3 ALA 80 4.079 -6.283 -9.496 636 H LEU 81 H LEU 81 5.964 -6.342 -5.532 637 HA LEU 81 HA LEU 81 3.362 -5.390 -4.942 638 HB2 LEU 81 HB2 LEU 81 5.217 -6.915 -3.648 639 HB3 LEU 81 HB3 LEU 81 5.167 -5.461 -2.674 640 HG LEU 81 HG LEU 81 3.597 -6.894 -1.691 641 HD11 LEU 81 HD11 LEU 81 1.402 -5.899 -2.107 642 HD12 LEU 81 HD12 LEU 81 2.663 -4.672 -2.001 643 HD13 LEU 81 HD13 LEU 81 2.021 -5.143 -3.575 644 HD21 LEU 81 HD21 LEU 81 3.538 -8.566 -3.455 645 HD22 LEU 81 HD22 LEU 81 1.907 -8.143 -2.931 646 HD23 LEU 81 HD23 LEU 81 2.541 -7.504 -4.448 647 H GLY 82 H GLY 82 5.438 -3.360 -6.155 648 HA2 GLY 82 HA2 GLY 82 4.999 -0.971 -5.820 649 HA3 GLY 82 HA3 GLY 82 4.695 -1.334 -4.148 650 H MET 83 H MET 83 7.562 -2.469 -5.978 651 HA MET 83 HA MET 83 9.243 -1.399 -3.935 652 HB2 MET 83 HB2 MET 83 11.125 -1.972 -5.452 653 HB3 MET 83 HB3 MET 83 10.005 -3.303 -5.212 654 HG2 MET 83 HG2 MET 83 8.987 -2.834 -7.384 655 HG3 MET 83 HG3 MET 83 10.123 -1.508 -7.626 656 HE1 MET 83 HE1 MET 83 13.541 -3.447 -7.720 657 HE2 MET 83 HE2 MET 83 12.767 -1.863 -7.754 658 HE3 MET 83 HE3 MET 83 12.748 -2.821 -6.274 659 H GLN 84 H GLN 84 8.437 0.637 -3.836 660 HA GLN 84 HA GLN 84 10.333 2.519 -4.710 661 HB2 GLN 84 HB2 GLN 84 8.386 4.175 -5.337 662 HB3 GLN 84 HB3 GLN 84 9.060 3.131 -6.574 663 HG2 GLN 84 HG2 GLN 84 7.187 1.555 -6.189 664 HG3 GLN 84 HG3 GLN 84 6.492 2.720 -5.063 665 HE21 GLN 84 HE21 GLN 84 7.274 2.067 -8.398 666 HE22 GLN 84 HE22 GLN 84 6.249 3.285 -9.078 667 H ASN 85 H ASN 85 9.474 4.685 -3.280 668 HA ASN 85 HA ASN 85 8.999 3.681 -0.684 669 HB2 ASN 85 HB2 ASN 85 8.108 6.028 -0.163 670 HB3 ASN 85 HB3 ASN 85 9.751 5.973 -0.811 671 HD21 ASN 85 HD21 ASN 85 7.702 8.100 -0.828 672 HD22 ASN 85 HD22 ASN 85 7.515 8.544 -2.488 673 H GLY 86 H GLY 86 7.345 2.348 -0.410 674 HA2 GLY 86 HA2 GLY 86 5.287 1.516 -0.180 675 HA3 GLY 86 HA3 GLY 86 4.736 3.180 -0.036 676 H CYS 87 H CYS 87 5.633 3.594 -2.957 677 HA CYS 87 HA CYS 87 4.693 3.583 -5.025 678 HB2 CYS 87 HB2 CYS 87 4.797 1.057 -4.633 679 HB3 CYS 87 HB3 CYS 87 3.087 1.183 -4.235 680 HG CYS 87 HG CYS 87 4.446 0.813 -7.168 681 H ARG 88 H ARG 88 1.933 2.552 -5.514 682 HA ARG 88 HA ARG 88 0.395 4.473 -3.903 683 HB2 ARG 88 HB2 ARG 88 -0.088 3.965 -6.845 684 HB3 ARG 88 HB3 ARG 88 -0.868 5.168 -5.831 685 HG2 ARG 88 HG2 ARG 88 0.611 6.497 -6.920 686 HG3 ARG 88 HG3 ARG 88 1.616 6.023 -5.551 687 HD2 ARG 88 HD2 ARG 88 3.031 5.671 -7.354 688 HD3 ARG 88 HD3 ARG 88 2.351 4.064 -7.082 689 HE ARG 88 HE ARG 88 0.753 5.428 -8.946 690 HH11 ARG 88 HH11 ARG 88 3.954 4.050 -8.667 691 HH12 ARG 88 HH12 ARG 88 4.084 3.661 -10.357 692 HH21 ARG 88 HH21 ARG 88 0.904 4.940 -11.178 693 HH22 ARG 88 HH22 ARG 88 2.346 4.173 -11.789 694 H VAL 89 H VAL 89 -1.700 3.825 -3.397 695 HA VAL 89 HA VAL 89 -2.853 1.427 -4.547 696 HB VAL 89 HB VAL 89 -3.430 0.514 -2.257 697 HG11 VAL 89 HG11 VAL 89 -0.527 0.434 -3.045 698 HG12 VAL 89 HG12 VAL 89 -1.339 -0.717 -1.983 699 HG13 VAL 89 HG13 VAL 89 -1.809 -0.597 -3.679 700 HG21 VAL 89 HG21 VAL 89 -2.862 2.442 -0.916 701 HG22 VAL 89 HG22 VAL 89 -1.916 1.045 -0.406 702 HG23 VAL 89 HG23 VAL 89 -1.169 2.303 -1.392 703 H MET 90 H MET 90 -4.819 2.206 -5.152 704 HA MET 90 HA MET 90 -6.167 3.643 -2.977 705 HB2 MET 90 HB2 MET 90 -6.783 5.402 -4.092 706 HB3 MET 90 HB3 MET 90 -5.508 4.967 -5.221 707 HG2 MET 90 HG2 MET 90 -8.331 4.020 -5.557 708 HG3 MET 90 HG3 MET 90 -7.799 5.589 -6.158 709 HE1 MET 90 HE1 MET 90 -9.116 3.254 -7.952 710 HE2 MET 90 HE2 MET 90 -8.662 4.834 -8.587 711 HE3 MET 90 HE3 MET 90 -8.113 3.367 -9.397 712 H LEU 91 H LEU 91 -8.074 3.138 -2.408 713 HA LEU 91 HA LEU 91 -9.220 0.806 -3.719 714 HB2 LEU 91 HB2 LEU 91 -10.252 0.219 -1.629 715 HB3 LEU 91 HB3 LEU 91 -8.529 0.396 -1.428 716 HG LEU 91 HG LEU 91 -9.364 1.280 0.525 717 HD11 LEU 91 HD11 LEU 91 -9.182 3.701 -1.246 718 HD12 LEU 91 HD12 LEU 91 -9.106 3.694 0.517 719 HD13 LEU 91 HD13 LEU 91 -7.847 2.893 -0.425 720 HD21 LEU 91 HD21 LEU 91 -11.555 2.670 -1.016 721 HD22 LEU 91 HD22 LEU 91 -11.723 1.198 -0.057 722 HD23 LEU 91 HD23 LEU 91 -11.320 2.723 0.732 723 H ILE 92 H ILE 92 -11.153 0.885 -4.612 724 HA ILE 92 HA ILE 92 -12.755 3.246 -3.950 725 HB ILE 92 HB ILE 92 -12.911 1.528 -6.440 726 HG12 ILE 92 HG12 ILE 92 -11.969 4.378 -6.041 727 HG13 ILE 92 HG13 ILE 92 -10.941 2.994 -6.391 728 HG21 ILE 92 HG21 ILE 92 -15.107 2.356 -5.776 729 HG22 ILE 92 HG22 ILE 92 -14.475 3.999 -5.691 730 HG23 ILE 92 HG23 ILE 92 -14.550 3.162 -7.242 731 HD11 ILE 92 HD11 ILE 92 -12.016 2.738 -8.558 732 HD12 ILE 92 HD12 ILE 92 -13.056 4.118 -8.208 733 HD13 ILE 92 HD13 ILE 92 -11.315 4.345 -8.370 734 H GLY 93 H GLY 93 -14.223 2.878 -2.609 735 HA2 GLY 93 HA2 GLY 93 -16.302 1.072 -2.761 736 HA3 GLY 93 HA3 GLY 93 -15.050 0.287 -1.800 737 H GLU 94 H GLU 94 -14.681 0.951 0.278 738 HA GLU 94 HA GLU 94 -15.860 3.468 1.133 739 HB2 GLU 94 HB2 GLU 94 -17.613 1.721 1.405 740 HB3 GLU 94 HB3 GLU 94 -16.532 0.862 2.492 741 HG2 GLU 94 HG2 GLU 94 -18.151 2.126 3.754 742 HG3 GLU 94 HG3 GLU 94 -16.539 2.791 4.006 743 H LYS 95 H LYS 95 -14.152 4.450 1.993 744 HA LYS 95 HA LYS 95 -12.346 3.027 3.792 745 HB2 LYS 95 HB2 LYS 95 -12.432 5.750 2.573 746 HB3 LYS 95 HB3 LYS 95 -11.671 5.610 4.148 747 HG2 LYS 95 HG2 LYS 95 -10.187 3.832 3.158 748 HG3 LYS 95 HG3 LYS 95 -10.848 4.276 1.580 749 HD2 LYS 95 HD2 LYS 95 -10.082 6.557 1.870 750 HD3 LYS 95 HD3 LYS 95 -9.497 6.180 3.490 751 HE2 LYS 95 HE2 LYS 95 -7.890 4.576 2.515 752 HE3 LYS 95 HE3 LYS 95 -8.474 5.015 0.902 753 HZ1 LYS 95 HZ1 LYS 95 -6.391 6.167 1.721 754 HZ2 LYS 95 HZ2 LYS 95 -7.399 7.045 2.773 755 HZ3 LYS 95 HZ3 LYS 95 -7.607 7.163 1.102 756 H SER 96 H SER 96 -14.439 2.477 4.913 757 HA SER 96 HA SER 96 -16.130 4.336 6.084 758 HB2 SER 96 HB2 SER 96 -16.542 1.874 5.870 759 HB3 SER 96 HB3 SER 96 -15.454 1.619 7.232 760 HG SER 96 HG SER 96 -16.914 2.396 8.582 761 H ASN 97 H ASN 97 -16.151 5.520 7.903 762 HA ASN 97 HA ASN 97 -13.761 5.385 9.615 763 HB2 ASN 97 HB2 ASN 97 -15.676 7.673 9.114 764 HB3 ASN 97 HB3 ASN 97 -14.377 7.711 10.299 765 HD21 ASN 97 HD21 ASN 97 -12.490 6.261 8.675 766 HD22 ASN 97 HD22 ASN 97 -11.994 7.345 7.420 Start of MODEL 8 1 H1 MET 1 H1 MET 1 2.707 14.294 -10.857 2 H2 MET 1 H2 MET 1 2.673 12.662 -11.313 3 H3 MET 1 H3 MET 1 3.873 13.685 -11.925 4 HB2 MET 1 HB2 MET 1 2.702 11.942 -8.947 5 HB3 MET 1 HB3 MET 1 4.029 12.454 -7.917 6 HG2 MET 1 HG2 MET 1 2.132 13.629 -7.185 7 HG3 MET 1 HG3 MET 1 3.109 14.789 -8.080 8 HE1 MET 1 HE1 MET 1 -0.758 12.840 -9.676 9 HE2 MET 1 HE2 MET 1 0.734 11.933 -9.422 10 HE3 MET 1 HE3 MET 1 -0.137 12.602 -8.042 11 H ALA 2 H ALA 2 6.515 12.629 -9.082 12 HA ALA 2 HA ALA 2 6.831 10.307 -10.875 13 HB1 ALA 2 HB1 ALA 2 9.202 10.860 -11.048 14 HB2 ALA 2 HB2 ALA 2 8.198 12.201 -11.598 15 HB3 ALA 2 HB3 ALA 2 8.959 12.263 -10.008 16 H LYS 3 H LYS 3 5.823 9.356 -8.787 17 HA LYS 3 HA LYS 3 7.694 9.019 -6.610 18 HB2 LYS 3 HB2 LYS 3 5.206 9.085 -6.259 19 HB3 LYS 3 HB3 LYS 3 5.115 7.518 -7.057 20 HG2 LYS 3 HG2 LYS 3 6.885 6.806 -5.288 21 HG3 LYS 3 HG3 LYS 3 6.304 8.226 -4.414 22 HD2 LYS 3 HD2 LYS 3 3.945 7.127 -5.002 23 HD3 LYS 3 HD3 LYS 3 4.943 5.658 -5.014 24 HE2 LYS 3 HE2 LYS 3 3.888 6.212 -2.816 25 HE3 LYS 3 HE3 LYS 3 5.633 5.987 -2.796 26 HZ1 LYS 3 HZ1 LYS 3 5.017 7.871 -1.457 27 HZ2 LYS 3 HZ2 LYS 3 4.208 8.604 -2.753 28 HZ3 LYS 3 HZ3 LYS 3 5.887 8.405 -2.803 29 H THR 4 H THR 4 9.304 7.677 -6.730 30 HA THR 4 HA THR 4 9.015 4.929 -7.289 31 HB THR 4 HB THR 4 10.986 5.762 -9.276 32 HG1 THR 4 HG1 THR 4 8.333 6.691 -9.525 33 HG21 THR 4 HG21 THR 4 8.539 4.003 -9.436 34 HG22 THR 4 HG22 THR 4 10.167 3.478 -9.004 35 HG23 THR 4 HG23 THR 4 9.835 4.081 -10.629 36 H GLU 5 H GLU 5 11.467 7.486 -7.718 37 HA GLU 5 HA GLU 5 13.546 5.704 -6.828 38 HB2 GLU 5 HB2 GLU 5 13.782 8.630 -7.526 39 HB3 GLU 5 HB3 GLU 5 15.078 7.444 -7.470 40 HG2 GLU 5 HG2 GLU 5 12.825 7.601 -9.453 41 HG3 GLU 5 HG3 GLU 5 14.543 7.859 -9.751 42 H GLU 6 H GLU 6 11.401 7.446 -5.106 43 HA GLU 6 HA GLU 6 12.964 8.778 -3.181 44 HB2 GLU 6 HB2 GLU 6 10.252 7.483 -3.011 45 HB3 GLU 6 HB3 GLU 6 10.959 8.344 -1.659 46 HG2 GLU 6 HG2 GLU 6 9.393 9.747 -2.815 47 HG3 GLU 6 HG3 GLU 6 11.022 10.384 -3.050 48 H MET 7 H MET 7 11.075 5.935 -2.407 49 HA MET 7 HA MET 7 11.336 4.332 -0.869 50 HB2 MET 7 HB2 MET 7 13.806 4.270 -2.482 51 HB3 MET 7 HB3 MET 7 13.869 3.402 -0.950 52 HG2 MET 7 HG2 MET 7 12.168 1.952 -1.549 53 HG3 MET 7 HG3 MET 7 11.592 3.003 -2.847 54 HE1 MET 7 HE1 MET 7 14.378 2.549 -5.562 55 HE2 MET 7 HE2 MET 7 12.824 3.290 -5.181 56 HE3 MET 7 HE3 MET 7 14.278 3.801 -4.323 57 H VAL 8 H VAL 8 11.622 6.953 0.075 58 HA VAL 8 HA VAL 8 12.523 6.264 2.697 59 HB VAL 8 HB VAL 8 13.884 8.533 2.819 60 HG11 VAL 8 HG11 VAL 8 15.989 7.310 2.476 61 HG12 VAL 8 HG12 VAL 8 14.825 6.384 3.424 62 HG13 VAL 8 HG13 VAL 8 15.086 5.994 1.725 63 HG21 VAL 8 HG21 VAL 8 15.265 8.927 0.827 64 HG22 VAL 8 HG22 VAL 8 14.320 7.728 -0.055 65 HG23 VAL 8 HG23 VAL 8 13.554 9.212 0.514 66 H GLN 9 H GLN 9 10.137 6.651 2.727 67 HA GLN 9 HA GLN 9 9.745 9.494 3.411 68 HB2 GLN 9 HB2 GLN 9 7.843 7.612 2.057 69 HB3 GLN 9 HB3 GLN 9 7.236 8.964 3.006 70 HG2 GLN 9 HG2 GLN 9 8.584 10.495 1.615 71 HG3 GLN 9 HG3 GLN 9 9.062 9.121 0.620 72 HE21 GLN 9 HE21 GLN 9 7.562 11.568 -0.024 73 HE22 GLN 9 HE22 GLN 9 6.068 11.031 -0.711 74 H THR 10 H THR 10 8.062 6.387 4.139 75 HA THR 10 HA THR 10 8.071 7.256 6.954 76 HB THR 10 HB THR 10 6.196 5.222 5.732 77 HG1 THR 10 HG1 THR 10 5.059 7.603 6.410 78 HG21 THR 10 HG21 THR 10 6.465 5.061 8.159 79 HG22 THR 10 HG22 THR 10 4.858 5.658 7.745 80 HG23 THR 10 HG23 THR 10 6.093 6.777 8.322 81 H GLU 11 H GLU 11 9.664 6.322 8.036 82 HA GLU 11 HA GLU 11 10.704 3.749 7.223 83 HB2 GLU 11 HB2 GLU 11 12.102 5.756 7.809 84 HB3 GLU 11 HB3 GLU 11 11.644 5.497 9.485 85 HG2 GLU 11 HG2 GLU 11 12.697 3.305 9.444 86 HG3 GLU 11 HG3 GLU 11 13.125 3.538 7.749 87 H GLU 12 H GLU 12 11.286 2.150 8.749 88 HA GLU 12 HA GLU 12 10.194 1.719 11.285 89 HB2 GLU 12 HB2 GLU 12 8.184 1.519 9.480 90 HB3 GLU 12 HB3 GLU 12 8.842 -0.103 9.341 91 HG2 GLU 12 HG2 GLU 12 8.282 0.933 12.061 92 HG3 GLU 12 HG3 GLU 12 6.911 0.516 11.039 93 H MET 13 H MET 13 10.462 -0.936 11.598 94 HA MET 13 HA MET 13 13.255 -1.053 11.324 95 HB2 MET 13 HB2 MET 13 11.348 -3.236 12.116 96 HB3 MET 13 HB3 MET 13 13.095 -3.302 12.290 97 HG2 MET 13 HG2 MET 13 12.993 -1.329 13.764 98 HG3 MET 13 HG3 MET 13 11.233 -1.374 13.651 99 HE1 MET 13 HE1 MET 13 9.774 -3.476 14.495 100 HE2 MET 13 HE2 MET 13 10.805 -4.569 13.571 101 HE3 MET 13 HE3 MET 13 10.479 -4.894 15.274 102 H GLU 14 H GLU 14 10.788 -2.966 9.465 103 HA GLU 14 HA GLU 14 13.090 -3.727 7.795 104 HB2 GLU 14 HB2 GLU 14 11.826 -5.633 8.780 105 HB3 GLU 14 HB3 GLU 14 10.431 -5.133 7.837 106 HG2 GLU 14 HG2 GLU 14 11.606 -6.957 6.736 107 HG3 GLU 14 HG3 GLU 14 11.675 -5.485 5.763 108 H THR 15 H THR 15 10.813 -1.442 7.813 109 HA THR 15 HA THR 15 10.381 -1.453 4.939 110 HB THR 15 HB THR 15 9.334 0.673 5.188 111 HG1 THR 15 HG1 THR 15 10.874 0.741 7.475 112 HG21 THR 15 HG21 THR 15 8.625 -1.058 7.561 113 HG22 THR 15 HG22 THR 15 7.985 -1.232 5.927 114 HG23 THR 15 HG23 THR 15 7.608 0.208 6.874 115 HA PRO 16 HA PRO 16 14.145 0.858 4.333 116 HB2 PRO 16 HB2 PRO 16 13.849 1.333 1.669 117 HB3 PRO 16 HB3 PRO 16 14.351 -0.225 2.326 118 HG2 PRO 16 HG2 PRO 16 11.854 0.492 1.035 119 HG3 PRO 16 HG3 PRO 16 12.490 -1.110 1.434 120 HD2 PRO 16 HD2 PRO 16 10.503 0.499 2.856 121 HD3 PRO 16 HD3 PRO 16 10.960 -1.220 3.101 122 H ARG 17 H ARG 17 11.890 2.110 5.442 123 HA ARG 17 HA ARG 17 10.763 4.042 5.725 124 HB2 ARG 17 HB2 ARG 17 13.188 4.885 5.623 125 HB3 ARG 17 HB3 ARG 17 12.826 5.375 3.974 126 HG2 ARG 17 HG2 ARG 17 11.024 6.809 4.801 127 HG3 ARG 17 HG3 ARG 17 11.404 6.324 6.454 128 HD2 ARG 17 HD2 ARG 17 13.209 7.814 4.547 129 HD3 ARG 17 HD3 ARG 17 12.409 8.478 5.969 130 HE ARG 17 HE ARG 17 13.971 6.344 6.837 131 HH11 ARG 17 HH11 ARG 17 14.410 9.494 5.379 132 HH12 ARG 17 HH12 ARG 17 16.006 9.720 6.039 133 HH21 ARG 17 HH21 ARG 17 16.029 6.616 7.715 134 HH22 ARG 17 HH22 ARG 17 16.948 8.055 7.355 135 H LEU 18 H LEU 18 9.291 2.737 4.186 136 HA LEU 18 HA LEU 18 9.022 4.206 1.646 137 HB2 LEU 18 HB2 LEU 18 8.839 1.353 2.299 138 HB3 LEU 18 HB3 LEU 18 7.594 1.972 1.238 139 HG LEU 18 HG LEU 18 9.174 2.655 -0.402 140 HD11 LEU 18 HD11 LEU 18 11.309 1.927 1.581 141 HD12 LEU 18 HD12 LEU 18 11.578 2.412 -0.092 142 HD13 LEU 18 HD13 LEU 18 10.874 3.552 1.053 143 HD21 LEU 18 HD21 LEU 18 9.932 -0.060 0.683 144 HD22 LEU 18 HD22 LEU 18 8.604 0.286 -0.425 145 HD23 LEU 18 HD23 LEU 18 10.272 0.528 -0.944 146 H SER 19 H SER 19 7.226 5.230 1.191 147 HA SER 19 HA SER 19 4.842 4.775 2.838 148 HB2 SER 19 HB2 SER 19 6.051 6.789 3.547 149 HB3 SER 19 HB3 SER 19 5.959 7.415 1.896 150 HG SER 19 HG SER 19 3.966 7.174 3.856 151 H VAL 20 H VAL 20 3.030 4.588 1.791 152 HA VAL 20 HA VAL 20 2.998 4.765 -1.137 153 HB VAL 20 HB VAL 20 2.558 2.547 -0.036 154 HG11 VAL 20 HG11 VAL 20 1.348 3.363 1.893 155 HG12 VAL 20 HG12 VAL 20 0.036 3.917 0.852 156 HG13 VAL 20 HG13 VAL 20 0.385 2.194 0.993 157 HG21 VAL 20 HG21 VAL 20 0.269 3.673 -1.640 158 HG22 VAL 20 HG22 VAL 20 1.755 2.983 -2.295 159 HG23 VAL 20 HG23 VAL 20 0.628 1.962 -1.403 160 H ILE 21 H ILE 21 1.118 5.518 -2.178 161 HA ILE 21 HA ILE 21 -0.391 7.571 -0.716 162 HB ILE 21 HB ILE 21 -0.735 6.871 -3.615 163 HG12 ILE 21 HG12 ILE 21 1.515 8.575 -2.518 164 HG13 ILE 21 HG13 ILE 21 1.706 6.947 -3.183 165 HG21 ILE 21 HG21 ILE 21 -1.121 9.285 -3.835 166 HG22 ILE 21 HG22 ILE 21 -2.216 8.538 -2.671 167 HG23 ILE 21 HG23 ILE 21 -0.834 9.477 -2.106 168 HD11 ILE 21 HD11 ILE 21 0.957 7.745 -5.357 169 HD12 ILE 21 HD12 ILE 21 0.717 9.363 -4.695 170 HD13 ILE 21 HD13 ILE 21 2.339 8.679 -4.784 171 H VAL 22 H VAL 22 -2.159 6.740 0.332 172 HA VAL 22 HA VAL 22 -3.804 4.767 -1.101 173 HB VAL 22 HB VAL 22 -4.246 5.595 1.760 174 HG11 VAL 22 HG11 VAL 22 -4.990 3.143 0.187 175 HG12 VAL 22 HG12 VAL 22 -5.339 3.411 1.895 176 HG13 VAL 22 HG13 VAL 22 -6.065 4.455 0.672 177 HG21 VAL 22 HG21 VAL 22 -1.932 4.793 1.594 178 HG22 VAL 22 HG22 VAL 22 -2.948 3.652 2.476 179 HG23 VAL 22 HG23 VAL 22 -2.500 3.322 0.803 180 H THR 23 H THR 23 -5.535 5.529 -2.117 181 HA THR 23 HA THR 23 -6.907 7.766 -0.851 182 HB THR 23 HB THR 23 -5.776 8.898 -2.559 183 HG1 THR 23 HG1 THR 23 -7.637 9.229 -4.151 184 HG21 THR 23 HG21 THR 23 -6.677 6.776 -4.502 185 HG22 THR 23 HG22 THR 23 -5.038 6.999 -3.891 186 HG23 THR 23 HG23 THR 23 -5.776 8.236 -4.910 187 H HIS 24 H HIS 24 -8.981 7.812 -0.880 188 HA HIS 24 HA HIS 24 -10.561 5.964 -2.542 189 HB2 HIS 24 HB2 HIS 24 -11.021 4.853 -0.588 190 HB3 HIS 24 HB3 HIS 24 -10.518 6.201 0.421 191 HD1 HIS 24 HD1 HIS 24 -13.533 5.226 -1.726 192 HD2 HIS 24 HD2 HIS 24 -12.573 7.478 1.643 193 HE1 HIS 24 HE1 HIS 24 -15.727 6.020 -0.786 194 HE2 HIS 24 HE2 HIS 24 -15.133 7.306 1.301 195 H SER 25 H SER 25 -11.737 7.265 -3.810 196 HA SER 25 HA SER 25 -13.004 9.020 -4.555 197 HB2 SER 25 HB2 SER 25 -13.022 9.736 -1.618 198 HB3 SER 25 HB3 SER 25 -13.890 10.661 -2.829 199 HG SER 25 HG SER 25 -15.319 9.086 -3.040 200 H ASN 26 H ASN 26 -10.517 9.906 -2.231 201 HA ASN 26 HA ASN 26 -8.820 11.403 -3.727 202 HB2 ASN 26 HB2 ASN 26 -10.751 12.943 -4.203 203 HB3 ASN 26 HB3 ASN 26 -10.862 13.272 -2.476 204 HD21 ASN 26 HD21 ASN 26 -10.415 15.459 -2.718 205 HD22 ASN 26 HD22 ASN 26 -8.840 16.041 -3.142 206 H GLU 27 H GLU 27 -10.566 10.900 -0.822 207 HA GLU 27 HA GLU 27 -8.967 11.960 1.149 208 HB2 GLU 27 HB2 GLU 27 -10.989 10.942 1.786 209 HB3 GLU 27 HB3 GLU 27 -10.578 9.428 0.992 210 HG2 GLU 27 HG2 GLU 27 -8.689 9.240 2.685 211 HG3 GLU 27 HG3 GLU 27 -9.463 10.571 3.541 212 H ARG 28 H ARG 28 -7.065 11.377 2.115 213 HA ARG 28 HA ARG 28 -5.501 9.278 0.820 214 HB2 ARG 28 HB2 ARG 28 -4.823 11.006 -0.566 215 HB3 ARG 28 HB3 ARG 28 -5.001 12.223 0.687 216 HG2 ARG 28 HG2 ARG 28 -2.691 12.038 0.282 217 HG3 ARG 28 HG3 ARG 28 -2.980 11.201 1.804 218 HD2 ARG 28 HD2 ARG 28 -3.036 9.050 0.487 219 HD3 ARG 28 HD3 ARG 28 -2.491 9.976 -0.909 220 HE ARG 28 HE ARG 28 -0.924 9.159 1.358 221 HH11 ARG 28 HH11 ARG 28 -1.168 11.495 -1.262 222 HH12 ARG 28 HH12 ARG 28 0.546 11.817 -1.290 223 HH21 ARG 28 HH21 ARG 28 1.321 9.589 1.305 224 HH22 ARG 28 HH22 ARG 28 1.952 10.751 0.178 225 H TYR 29 H TYR 29 -4.497 8.145 2.272 226 HA TYR 29 HA TYR 29 -3.251 9.536 4.547 227 HB2 TYR 29 HB2 TYR 29 -4.449 6.761 4.451 228 HB3 TYR 29 HB3 TYR 29 -3.317 7.260 5.702 229 HD1 TYR 29 HD1 TYR 29 -3.973 9.008 7.332 230 HD2 TYR 29 HD2 TYR 29 -6.721 7.460 4.474 231 HE1 TYR 29 HE1 TYR 29 -5.839 9.950 8.624 232 HE2 TYR 29 HE2 TYR 29 -8.594 8.401 5.759 233 HH TYR 29 HH TYR 29 -8.252 10.721 8.060 234 H ASP 30 H ASP 30 -1.053 9.267 4.682 235 HA ASP 30 HA ASP 30 0.188 7.658 2.619 236 HB2 ASP 30 HB2 ASP 30 2.331 8.487 3.562 237 HB3 ASP 30 HB3 ASP 30 1.235 9.785 3.112 238 H LEU 31 H LEU 31 0.688 5.662 2.828 239 HA LEU 31 HA LEU 31 0.534 4.413 5.495 240 HB2 LEU 31 HB2 LEU 31 -1.029 3.997 3.228 241 HB3 LEU 31 HB3 LEU 31 0.114 2.673 3.192 242 HG LEU 31 HG LEU 31 -2.068 2.157 4.281 243 HD11 LEU 31 HD11 LEU 31 -1.052 0.993 6.201 244 HD12 LEU 31 HD12 LEU 31 -0.045 0.844 4.760 245 HD13 LEU 31 HD13 LEU 31 0.402 1.974 6.039 246 HD21 LEU 31 HD21 LEU 31 -1.021 4.066 6.388 247 HD22 LEU 31 HD22 LEU 31 -2.429 4.315 5.356 248 HD23 LEU 31 HD23 LEU 31 -2.431 3.021 6.553 249 H LEU 32 H LEU 32 2.015 2.474 5.742 250 HA LEU 32 HA LEU 32 4.382 3.057 4.108 251 HB2 LEU 32 HB2 LEU 32 5.602 3.295 5.932 252 HB3 LEU 32 HB3 LEU 32 4.110 3.268 6.840 253 HG LEU 32 HG LEU 32 5.752 0.793 6.298 254 HD11 LEU 32 HD11 LEU 32 7.078 2.388 7.557 255 HD12 LEU 32 HD12 LEU 32 5.744 2.637 8.685 256 HD13 LEU 32 HD13 LEU 32 6.552 1.071 8.607 257 HD21 LEU 32 HD21 LEU 32 3.560 1.398 8.295 258 HD22 LEU 32 HD22 LEU 32 3.403 0.373 6.869 259 HD23 LEU 32 HD23 LEU 32 4.467 -0.111 8.191 260 H VAL 33 H VAL 33 5.606 1.415 3.297 261 HA VAL 33 HA VAL 33 4.138 -0.826 2.428 262 HB VAL 33 HB VAL 33 6.779 0.331 1.865 263 HG11 VAL 33 HG11 VAL 33 6.568 -2.681 1.807 264 HG12 VAL 33 HG12 VAL 33 7.847 -1.724 1.057 265 HG13 VAL 33 HG13 VAL 33 7.662 -1.727 2.811 266 HG21 VAL 33 HG21 VAL 33 6.279 -0.527 -0.363 267 HG22 VAL 33 HG22 VAL 33 4.911 -1.430 0.287 268 HG23 VAL 33 HG23 VAL 33 4.903 0.333 0.323 269 H THR 34 H THR 34 4.620 -3.106 2.810 270 HA THR 34 HA THR 34 4.557 -3.287 5.687 271 HB THR 34 HB THR 34 4.003 -5.454 3.659 272 HG1 THR 34 HG1 THR 34 2.707 -3.368 3.648 273 HG21 THR 34 HG21 THR 34 4.377 -6.274 5.948 274 HG22 THR 34 HG22 THR 34 2.686 -6.456 5.475 275 HG23 THR 34 HG23 THR 34 3.165 -5.143 6.551 276 HA PRO 35 HA PRO 35 8.740 -4.614 6.024 277 HB2 PRO 35 HB2 PRO 35 8.627 -5.037 8.708 278 HB3 PRO 35 HB3 PRO 35 8.786 -3.433 7.984 279 HG2 PRO 35 HG2 PRO 35 6.335 -4.815 9.015 280 HG3 PRO 35 HG3 PRO 35 6.849 -3.130 9.236 281 HD2 PRO 35 HD2 PRO 35 4.985 -3.821 7.425 282 HD3 PRO 35 HD3 PRO 35 6.135 -2.502 7.133 283 H GLN 36 H GLN 36 9.890 -6.423 6.678 284 HA GLN 36 HA GLN 36 10.345 -8.561 7.264 285 HB2 GLN 36 HB2 GLN 36 7.363 -8.936 7.515 286 HB3 GLN 36 HB3 GLN 36 8.532 -10.229 7.739 287 HG2 GLN 36 HG2 GLN 36 9.585 -8.732 9.515 288 HG3 GLN 36 HG3 GLN 36 8.100 -7.788 9.421 289 HE21 GLN 36 HE21 GLN 36 8.215 -11.250 8.984 290 HE22 GLN 36 HE22 GLN 36 7.402 -11.663 10.455 291 H GLN 37 H GLN 37 9.348 -7.341 4.575 292 HA GLN 37 HA GLN 37 9.331 -9.877 3.116 293 HB2 GLN 37 HB2 GLN 37 8.136 -7.405 2.498 294 HB3 GLN 37 HB3 GLN 37 9.557 -7.493 1.467 295 HG2 GLN 37 HG2 GLN 37 7.315 -9.483 1.597 296 HG3 GLN 37 HG3 GLN 37 7.730 -8.408 0.262 297 HE21 GLN 37 HE21 GLN 37 8.465 -11.370 1.894 298 HE22 GLN 37 HE22 GLN 37 9.616 -11.964 0.739 299 H GLY 38 H GLY 38 10.742 -7.185 1.641 300 HA2 GLY 38 HA2 GLY 38 13.481 -7.874 2.421 301 HA3 GLY 38 HA3 GLY 38 13.063 -7.830 0.700 302 H ASN 39 H ASN 39 11.486 -5.913 3.008 303 HA ASN 39 HA ASN 39 10.880 -3.789 3.093 304 HB2 ASN 39 HB2 ASN 39 12.622 -2.049 3.222 305 HB3 ASN 39 HB3 ASN 39 12.903 -3.438 4.270 306 HD21 ASN 39 HD21 ASN 39 14.766 -4.519 4.114 307 HD22 ASN 39 HD22 ASN 39 16.018 -4.166 2.962 308 H SER 40 H SER 40 12.901 -4.310 0.283 309 HA SER 40 HA SER 40 11.981 -1.882 -0.975 310 HB2 SER 40 HB2 SER 40 13.763 -4.132 -1.917 311 HB3 SER 40 HB3 SER 40 13.457 -2.650 -2.830 312 HG SER 40 HG SER 40 14.453 -2.587 -0.171 313 H GLU 41 H GLU 41 10.870 -5.042 -0.705 314 HA GLU 41 HA GLU 41 9.147 -4.760 -3.028 315 HB2 GLU 41 HB2 GLU 41 10.954 -7.136 -2.506 316 HB3 GLU 41 HB3 GLU 41 9.604 -7.164 -3.633 317 HG2 GLU 41 HG2 GLU 41 10.633 -5.577 -5.053 318 HG3 GLU 41 HG3 GLU 41 11.854 -5.190 -3.845 319 HA PRO 42 HA PRO 42 6.982 -5.515 0.808 320 HB2 PRO 42 HB2 PRO 42 4.659 -4.878 -0.910 321 HB3 PRO 42 HB3 PRO 42 5.185 -4.135 0.604 322 HG2 PRO 42 HG2 PRO 42 5.497 -2.873 -1.711 323 HG3 PRO 42 HG3 PRO 42 6.741 -2.782 -0.449 324 HD2 PRO 42 HD2 PRO 42 6.682 -4.446 -2.935 325 HD3 PRO 42 HD3 PRO 42 8.029 -3.532 -2.223 326 H VAL 43 H VAL 43 5.139 -6.814 1.543 327 HA VAL 43 HA VAL 43 5.265 -9.433 0.360 328 HB VAL 43 HB VAL 43 3.813 -10.140 2.212 329 HG11 VAL 43 HG11 VAL 43 6.147 -8.438 3.062 330 HG12 VAL 43 HG12 VAL 43 5.370 -9.669 4.056 331 HG13 VAL 43 HG13 VAL 43 6.206 -10.132 2.574 332 HG21 VAL 43 HG21 VAL 43 2.461 -8.131 2.454 333 HG22 VAL 43 HG22 VAL 43 3.223 -8.551 3.989 334 HG23 VAL 43 HG23 VAL 43 3.874 -7.235 3.013 335 H VAL 44 H VAL 44 3.301 -10.731 -0.063 336 HA VAL 44 HA VAL 44 1.537 -9.667 -1.918 337 HB VAL 44 HB VAL 44 0.047 -11.639 -1.329 338 HG11 VAL 44 HG11 VAL 44 1.690 -11.751 -3.112 339 HG12 VAL 44 HG12 VAL 44 2.951 -12.161 -1.948 340 HG13 VAL 44 HG13 VAL 44 1.623 -13.284 -2.245 341 HG21 VAL 44 HG21 VAL 44 0.995 -13.351 0.133 342 HG22 VAL 44 HG22 VAL 44 2.338 -12.278 0.526 343 HG23 VAL 44 HG23 VAL 44 0.699 -11.855 1.020 344 H GLN 45 H GLN 45 1.388 -9.650 1.516 345 HA GLN 45 HA GLN 45 -1.336 -8.997 1.884 346 HB2 GLN 45 HB2 GLN 45 1.100 -8.614 3.612 347 HB3 GLN 45 HB3 GLN 45 -0.529 -8.226 4.146 348 HG2 GLN 45 HG2 GLN 45 0.105 -10.937 3.091 349 HG3 GLN 45 HG3 GLN 45 0.535 -10.512 4.748 350 HE21 GLN 45 HE21 GLN 45 -0.892 -12.051 5.562 351 HE22 GLN 45 HE22 GLN 45 -2.606 -11.812 5.558 352 H ASP 46 H ASP 46 1.460 -7.125 1.036 353 HA ASP 46 HA ASP 46 0.929 -4.844 2.574 354 HB2 ASP 46 HB2 ASP 46 3.129 -5.012 1.941 355 HB3 ASP 46 HB3 ASP 46 2.767 -5.458 0.285 356 H LEU 47 H LEU 47 0.078 -5.500 -0.827 357 HA LEU 47 HA LEU 47 -0.691 -2.919 -1.434 358 HB2 LEU 47 HB2 LEU 47 -1.493 -3.786 -3.386 359 HB3 LEU 47 HB3 LEU 47 -0.346 -4.998 -2.928 360 HG LEU 47 HG LEU 47 -3.317 -5.244 -2.446 361 HD11 LEU 47 HD11 LEU 47 -2.838 -5.160 -4.832 362 HD12 LEU 47 HD12 LEU 47 -1.622 -6.421 -4.634 363 HD13 LEU 47 HD13 LEU 47 -3.321 -6.781 -4.330 364 HD21 LEU 47 HD21 LEU 47 -1.085 -7.262 -2.342 365 HD22 LEU 47 HD22 LEU 47 -1.949 -6.596 -0.956 366 HD23 LEU 47 HD23 LEU 47 -2.801 -7.604 -2.124 367 H ALA 48 H ALA 48 -2.526 -5.614 -0.082 368 HA ALA 48 HA ALA 48 -5.013 -4.259 0.123 369 HB1 ALA 48 HB1 ALA 48 -5.641 -6.100 1.611 370 HB2 ALA 48 HB2 ALA 48 -4.850 -6.704 0.154 371 HB3 ALA 48 HB3 ALA 48 -3.960 -6.627 1.675 372 H GLN 49 H GLN 49 -2.241 -4.706 2.198 373 HA GLN 49 HA GLN 49 -3.373 -3.944 4.620 374 HB2 GLN 49 HB2 GLN 49 -1.200 -5.074 4.432 375 HB3 GLN 49 HB3 GLN 49 -0.513 -3.654 3.681 376 HG2 GLN 49 HG2 GLN 49 0.221 -3.337 5.792 377 HG3 GLN 49 HG3 GLN 49 -1.313 -2.483 5.877 378 HE21 GLN 49 HE21 GLN 49 -2.935 -4.885 5.927 379 HE22 GLN 49 HE22 GLN 49 -2.742 -5.571 7.502 380 H LEU 50 H LEU 50 -1.578 -2.120 2.225 381 HA LEU 50 HA LEU 50 -1.360 0.283 3.644 382 HB2 LEU 50 HB2 LEU 50 -1.557 -0.226 0.676 383 HB3 LEU 50 HB3 LEU 50 -0.989 1.268 1.397 384 HG LEU 50 HG LEU 50 0.392 -1.391 1.800 385 HD11 LEU 50 HD11 LEU 50 2.054 -0.587 0.225 386 HD12 LEU 50 HD12 LEU 50 0.476 -0.749 -0.544 387 HD13 LEU 50 HD13 LEU 50 1.074 0.846 -0.090 388 HD21 LEU 50 HD21 LEU 50 0.776 0.201 3.572 389 HD22 LEU 50 HD22 LEU 50 2.225 -0.025 2.595 390 HD23 LEU 50 HD23 LEU 50 1.240 1.424 2.388 391 H VAL 51 H VAL 51 -3.734 -0.602 1.141 392 HA VAL 51 HA VAL 51 -5.365 1.724 1.340 393 HB VAL 51 HB VAL 51 -5.270 -0.714 -0.096 394 HG11 VAL 51 HG11 VAL 51 -7.664 -1.059 -0.454 395 HG12 VAL 51 HG12 VAL 51 -7.191 -1.425 1.205 396 HG13 VAL 51 HG13 VAL 51 -8.011 0.092 0.836 397 HG21 VAL 51 HG21 VAL 51 -6.478 0.638 -1.742 398 HG22 VAL 51 HG22 VAL 51 -6.751 1.867 -0.506 399 HG23 VAL 51 HG23 VAL 51 -5.111 1.501 -1.039 400 H GLU 52 H GLU 52 -5.378 -1.378 3.017 401 HA GLU 52 HA GLU 52 -7.850 -1.023 4.359 402 HB2 GLU 52 HB2 GLU 52 -7.202 -3.240 4.276 403 HB3 GLU 52 HB3 GLU 52 -5.515 -2.873 4.600 404 HG2 GLU 52 HG2 GLU 52 -5.975 -2.535 6.925 405 HG3 GLU 52 HG3 GLU 52 -7.709 -2.689 6.649 406 H GLU 53 H GLU 53 -4.474 -0.493 5.298 407 HA GLU 53 HA GLU 53 -5.047 0.064 8.025 408 HB2 GLU 53 HB2 GLU 53 -2.876 -0.748 7.451 409 HB3 GLU 53 HB3 GLU 53 -2.625 0.555 6.297 410 HG2 GLU 53 HG2 GLU 53 -1.412 1.413 7.980 411 HG3 GLU 53 HG3 GLU 53 -2.983 2.005 8.505 412 H ALA 54 H ALA 54 -5.027 1.991 5.141 413 HA ALA 54 HA ALA 54 -4.219 4.438 6.136 414 HB1 ALA 54 HB1 ALA 54 -6.322 3.981 4.031 415 HB2 ALA 54 HB2 ALA 54 -5.377 5.451 4.266 416 HB3 ALA 54 HB3 ALA 54 -4.579 3.960 3.764 417 H THR 55 H THR 55 -7.632 3.293 5.955 418 HA THR 55 HA THR 55 -8.197 5.344 8.000 419 HB THR 55 HB THR 55 -10.289 4.129 6.197 420 HG1 THR 55 HG1 THR 55 -9.878 6.496 5.307 421 HG21 THR 55 HG21 THR 55 -11.098 5.253 8.229 422 HG22 THR 55 HG22 THR 55 -11.538 6.158 6.781 423 HG23 THR 55 HG23 THR 55 -10.195 6.702 7.787 424 H GLY 56 H GLY 56 -7.547 2.196 7.821 425 HA2 GLY 56 HA2 GLY 56 -7.830 0.575 9.471 426 HA3 GLY 56 HA3 GLY 56 -9.034 1.602 10.234 427 H VAL 57 H VAL 57 -9.329 0.987 6.876 428 HA VAL 57 HA VAL 57 -11.874 -0.297 7.321 429 HB VAL 57 HB VAL 57 -11.822 1.388 5.617 430 HG11 VAL 57 HG11 VAL 57 -10.454 1.179 3.586 431 HG12 VAL 57 HG12 VAL 57 -9.468 1.351 5.038 432 HG13 VAL 57 HG13 VAL 57 -9.658 -0.232 4.283 433 HG21 VAL 57 HG21 VAL 57 -11.982 -1.333 4.333 434 HG22 VAL 57 HG22 VAL 57 -13.283 -0.517 5.201 435 HG23 VAL 57 HG23 VAL 57 -12.671 0.159 3.691 436 HA PRO 58 HA PRO 58 -10.161 -4.389 7.000 437 HB2 PRO 58 HB2 PRO 58 -12.502 -5.731 6.804 438 HB3 PRO 58 HB3 PRO 58 -11.900 -5.063 8.323 439 HG2 PRO 58 HG2 PRO 58 -13.884 -3.891 6.405 440 HG3 PRO 58 HG3 PRO 58 -14.000 -4.027 8.174 441 HD2 PRO 58 HD2 PRO 58 -13.278 -1.733 6.993 442 HD3 PRO 58 HD3 PRO 58 -12.531 -2.252 8.519 443 H LEU 59 H LEU 59 -9.951 -6.072 5.494 444 HA LEU 59 HA LEU 59 -9.700 -5.409 2.866 445 HB2 LEU 59 HB2 LEU 59 -8.644 -7.348 3.026 446 HB3 LEU 59 HB3 LEU 59 -9.544 -7.770 4.470 447 HG LEU 59 HG LEU 59 -11.376 -8.614 2.880 448 HD11 LEU 59 HD11 LEU 59 -10.554 -7.568 0.833 449 HD12 LEU 59 HD12 LEU 59 -9.079 -8.529 0.930 450 HD13 LEU 59 HD13 LEU 59 -10.633 -9.322 0.673 451 HD21 LEU 59 HD21 LEU 59 -8.705 -10.006 2.970 452 HD22 LEU 59 HD22 LEU 59 -9.951 -10.063 4.218 453 HD23 LEU 59 HD23 LEU 59 -10.260 -10.767 2.630 454 HA PRO 60 HA PRO 60 -13.942 -7.456 1.725 455 HB2 PRO 60 HB2 PRO 60 -15.664 -6.980 4.047 456 HB3 PRO 60 HB3 PRO 60 -15.423 -8.456 3.109 457 HG2 PRO 60 HG2 PRO 60 -14.482 -8.203 5.592 458 HG3 PRO 60 HG3 PRO 60 -13.591 -9.107 4.356 459 HD2 PRO 60 HD2 PRO 60 -13.159 -6.314 5.354 460 HD3 PRO 60 HD3 PRO 60 -11.954 -7.578 5.046 461 H PHE 61 H PHE 61 -13.499 -4.518 3.448 462 HA PHE 61 HA PHE 61 -15.938 -3.338 2.333 463 HB2 PHE 61 HB2 PHE 61 -14.125 -2.639 4.583 464 HB3 PHE 61 HB3 PHE 61 -15.042 -1.352 3.810 465 HD1 PHE 61 HD1 PHE 61 -15.348 -4.594 5.570 466 HD2 PHE 61 HD2 PHE 61 -17.334 -1.057 4.288 467 HE1 PHE 61 HE1 PHE 61 -17.302 -5.203 6.933 468 HE2 PHE 61 HE2 PHE 61 -19.292 -1.660 5.650 469 HZ PHE 61 HZ PHE 61 -19.287 -3.746 6.958 470 H GLN 62 H GLN 62 -12.534 -3.349 1.823 471 HA GLN 62 HA GLN 62 -12.775 -0.913 0.185 472 HB2 GLN 62 HB2 GLN 62 -10.474 -0.598 0.301 473 HB3 GLN 62 HB3 GLN 62 -10.846 -1.105 1.925 474 HG2 GLN 62 HG2 GLN 62 -10.307 -3.436 0.421 475 HG3 GLN 62 HG3 GLN 62 -9.064 -2.244 0.038 476 HE21 GLN 62 HE21 GLN 62 -10.637 -2.269 3.115 477 HE22 GLN 62 HE22 GLN 62 -9.275 -2.813 4.024 478 H LYS 63 H LYS 63 -11.978 -0.952 -1.963 479 HA LYS 63 HA LYS 63 -11.158 -3.584 -2.942 480 HB2 LYS 63 HB2 LYS 63 -12.933 -1.600 -4.372 481 HB3 LYS 63 HB3 LYS 63 -12.151 -2.958 -5.174 482 HG2 LYS 63 HG2 LYS 63 -13.304 -4.464 -3.527 483 HG3 LYS 63 HG3 LYS 63 -14.229 -3.056 -3.006 484 HD2 LYS 63 HD2 LYS 63 -15.188 -2.806 -5.191 485 HD3 LYS 63 HD3 LYS 63 -14.141 -4.069 -5.844 486 HE2 LYS 63 HE2 LYS 63 -15.200 -5.686 -4.309 487 HE3 LYS 63 HE3 LYS 63 -16.293 -4.418 -3.761 488 HZ1 LYS 63 HZ1 LYS 63 -17.270 -5.872 -5.456 489 HZ2 LYS 63 HZ2 LYS 63 -16.087 -5.379 -6.562 490 HZ3 LYS 63 HZ3 LYS 63 -17.205 -4.252 -5.960 491 H LEU 64 H LEU 64 -9.055 -3.141 -2.748 492 HA LEU 64 HA LEU 64 -7.953 -0.624 -3.535 493 HB2 LEU 64 HB2 LEU 64 -7.006 -1.614 -1.605 494 HB3 LEU 64 HB3 LEU 64 -6.849 -3.169 -2.399 495 HG LEU 64 HG LEU 64 -4.743 -1.724 -1.903 496 HD11 LEU 64 HD11 LEU 64 -5.140 -3.012 -4.598 497 HD12 LEU 64 HD12 LEU 64 -3.586 -2.651 -3.849 498 HD13 LEU 64 HD13 LEU 64 -4.666 -3.833 -3.112 499 HD21 LEU 64 HD21 LEU 64 -4.069 -0.290 -3.753 500 HD22 LEU 64 HD22 LEU 64 -5.651 -0.512 -4.500 501 HD23 LEU 64 HD23 LEU 64 -5.515 0.320 -2.950 502 H ILE 65 H ILE 65 -7.511 -0.099 -5.439 503 HA ILE 65 HA ILE 65 -6.333 -2.036 -7.333 504 HB ILE 65 HB ILE 65 -7.928 0.441 -7.930 505 HG12 ILE 65 HG12 ILE 65 -8.849 -2.444 -8.116 506 HG13 ILE 65 HG13 ILE 65 -9.357 -1.291 -6.886 507 HG21 ILE 65 HG21 ILE 65 -6.341 -0.162 -9.681 508 HG22 ILE 65 HG22 ILE 65 -6.989 -1.801 -9.732 509 HG23 ILE 65 HG23 ILE 65 -7.990 -0.442 -10.240 510 HD11 ILE 65 HD11 ILE 65 -10.425 0.074 -8.586 511 HD12 ILE 65 HD12 ILE 65 -9.874 -1.038 -9.840 512 HD13 ILE 65 HD13 ILE 65 -11.038 -1.579 -8.630 513 H PHE 66 H PHE 66 -4.203 -1.492 -7.134 514 HA PHE 66 HA PHE 66 -3.395 0.778 -8.513 515 HB2 PHE 66 HB2 PHE 66 -3.560 1.266 -5.731 516 HB3 PHE 66 HB3 PHE 66 -1.862 1.269 -6.215 517 HD1 PHE 66 HD1 PHE 66 -2.665 2.139 -9.168 518 HD2 PHE 66 HD2 PHE 66 -3.465 3.672 -5.281 519 HE1 PHE 66 HE1 PHE 66 -2.923 4.394 -10.113 520 HE2 PHE 66 HE2 PHE 66 -3.728 5.928 -6.221 521 HZ PHE 66 HZ PHE 66 -3.489 6.257 -8.714 522 H LYS 67 H LYS 67 -1.159 0.746 -9.062 523 HA LYS 67 HA LYS 67 0.751 -0.263 -9.673 524 HB2 LYS 67 HB2 LYS 67 1.506 -2.247 -7.970 525 HB3 LYS 67 HB3 LYS 67 1.898 -0.561 -7.768 526 HG2 LYS 67 HG2 LYS 67 0.190 -0.301 -6.097 527 HG3 LYS 67 HG3 LYS 67 -0.436 -1.939 -6.380 528 HD2 LYS 67 HD2 LYS 67 1.843 -2.795 -5.703 529 HD3 LYS 67 HD3 LYS 67 2.285 -1.146 -5.269 530 HE2 LYS 67 HE2 LYS 67 0.068 -1.339 -3.820 531 HE3 LYS 67 HE3 LYS 67 0.445 -3.059 -3.923 532 HZ1 LYS 67 HZ1 LYS 67 2.154 -0.917 -2.778 533 HZ2 LYS 67 HZ2 LYS 67 2.718 -2.477 -3.089 534 HZ3 LYS 67 HZ3 LYS 67 1.482 -2.241 -1.963 535 H GLY 68 H GLY 68 -1.714 -1.202 -10.636 536 HA2 GLY 68 HA2 GLY 68 -2.567 -2.873 -11.936 537 HA3 GLY 68 HA3 GLY 68 -0.937 -3.538 -12.012 538 H LYS 69 H LYS 69 -2.079 -3.060 -8.923 539 HA LYS 69 HA LYS 69 -2.671 -5.923 -8.644 540 HB2 LYS 69 HB2 LYS 69 -1.412 -3.972 -6.730 541 HB3 LYS 69 HB3 LYS 69 -1.943 -5.580 -6.267 542 HG2 LYS 69 HG2 LYS 69 -0.382 -6.423 -8.103 543 HG3 LYS 69 HG3 LYS 69 0.309 -4.794 -8.065 544 HD2 LYS 69 HD2 LYS 69 0.762 -5.015 -5.695 545 HD3 LYS 69 HD3 LYS 69 0.009 -6.611 -5.680 546 HE2 LYS 69 HE2 LYS 69 2.537 -5.776 -7.069 547 HE3 LYS 69 HE3 LYS 69 2.357 -6.920 -5.739 548 HZ1 LYS 69 HZ1 LYS 69 2.635 -8.194 -7.667 549 HZ2 LYS 69 HZ2 LYS 69 1.533 -7.265 -8.560 550 HZ3 LYS 69 HZ3 LYS 69 0.978 -8.275 -7.320 551 H SER 70 H SER 70 -4.367 -6.546 -7.462 552 HA SER 70 HA SER 70 -5.998 -4.437 -6.254 553 HB2 SER 70 HB2 SER 70 -7.028 -5.529 -8.292 554 HB3 SER 70 HB3 SER 70 -7.078 -7.037 -7.372 555 HG SER 70 HG SER 70 -8.204 -4.641 -6.374 556 H LEU 71 H LEU 71 -6.897 -4.913 -4.207 557 HA LEU 71 HA LEU 71 -4.927 -6.267 -2.680 558 HB2 LEU 71 HB2 LEU 71 -5.920 -5.372 -0.749 559 HB3 LEU 71 HB3 LEU 71 -6.179 -4.185 -2.018 560 HG LEU 71 HG LEU 71 -8.170 -4.126 -0.882 561 HD11 LEU 71 HD11 LEU 71 -8.692 -6.217 -2.979 562 HD12 LEU 71 HD12 LEU 71 -9.916 -5.225 -2.187 563 HD13 LEU 71 HD13 LEU 71 -8.692 -4.469 -3.210 564 HD21 LEU 71 HD21 LEU 71 -7.726 -5.912 0.666 565 HD22 LEU 71 HD22 LEU 71 -9.358 -6.061 0.014 566 HD23 LEU 71 HD23 LEU 71 -8.073 -7.114 -0.580 567 H LYS 72 H LYS 72 -4.834 -8.068 -1.603 568 HA LYS 72 HA LYS 72 -7.077 -9.527 -0.655 569 HB2 LYS 72 HB2 LYS 72 -5.608 -10.548 -3.053 570 HB3 LYS 72 HB3 LYS 72 -6.035 -11.707 -1.804 571 HG2 LYS 72 HG2 LYS 72 -8.390 -11.082 -2.032 572 HG3 LYS 72 HG3 LYS 72 -7.958 -9.916 -3.284 573 HD2 LYS 72 HD2 LYS 72 -6.985 -11.832 -4.588 574 HD3 LYS 72 HD3 LYS 72 -7.697 -12.917 -3.391 575 HE2 LYS 72 HE2 LYS 72 -9.907 -12.114 -3.918 576 HE3 LYS 72 HE3 LYS 72 -9.243 -10.905 -5.015 577 HZ1 LYS 72 HZ1 LYS 72 -9.254 -13.850 -5.358 578 HZ2 LYS 72 HZ2 LYS 72 -8.302 -12.820 -6.306 579 HZ3 LYS 72 HZ3 LYS 72 -9.990 -12.683 -6.343 580 H GLU 73 H GLU 73 -6.098 -11.703 0.377 581 HA GLU 73 HA GLU 73 -4.110 -10.829 2.188 582 HB2 GLU 73 HB2 GLU 73 -4.751 -13.726 1.666 583 HB3 GLU 73 HB3 GLU 73 -4.206 -12.985 3.164 584 HG2 GLU 73 HG2 GLU 73 -6.383 -13.190 3.699 585 HG3 GLU 73 HG3 GLU 73 -6.500 -11.653 2.841 586 H MET 74 H MET 74 -3.921 -13.366 -0.307 587 HA MET 74 HA MET 74 -1.075 -12.691 -0.621 588 HB2 MET 74 HB2 MET 74 -2.271 -15.456 -0.900 589 HB3 MET 74 HB3 MET 74 -0.576 -15.027 -1.093 590 HG2 MET 74 HG2 MET 74 -0.498 -14.367 1.277 591 HG3 MET 74 HG3 MET 74 -2.175 -14.883 1.453 592 HE1 MET 74 HE1 MET 74 -0.245 -17.676 3.389 593 HE2 MET 74 HE2 MET 74 0.190 -15.969 3.320 594 HE3 MET 74 HE3 MET 74 -1.503 -16.442 3.471 595 H GLU 75 H GLU 75 -1.735 -11.264 -2.300 596 HA GLU 75 HA GLU 75 -3.283 -12.340 -4.477 597 HB2 GLU 75 HB2 GLU 75 -3.771 -10.120 -3.567 598 HB3 GLU 75 HB3 GLU 75 -2.170 -9.576 -4.034 599 HG2 GLU 75 HG2 GLU 75 -3.913 -8.803 -5.565 600 HG3 GLU 75 HG3 GLU 75 -2.716 -9.818 -6.367 601 H THR 76 H THR 76 -1.017 -9.973 -5.441 602 HA THR 76 HA THR 76 0.116 -11.982 -7.255 603 HB THR 76 HB THR 76 0.668 -9.826 -8.621 604 HG1 THR 76 HG1 THR 76 -1.626 -8.677 -7.674 605 HG21 THR 76 HG21 THR 76 -1.511 -9.953 -9.717 606 HG22 THR 76 HG22 THR 76 -2.174 -10.807 -8.325 607 HG23 THR 76 HG23 THR 76 -0.923 -11.565 -9.311 608 HA PRO 77 HA PRO 77 4.312 -12.162 -6.224 609 HB2 PRO 77 HB2 PRO 77 4.722 -10.368 -8.584 610 HB3 PRO 77 HB3 PRO 77 5.685 -11.749 -8.037 611 HG2 PRO 77 HG2 PRO 77 3.823 -12.009 -9.963 612 HG3 PRO 77 HG3 PRO 77 4.136 -13.295 -8.784 613 HD2 PRO 77 HD2 PRO 77 1.782 -11.571 -9.057 614 HD3 PRO 77 HD3 PRO 77 1.974 -13.069 -8.127 615 H LEU 78 H LEU 78 5.605 -11.295 -4.938 616 HA LEU 78 HA LEU 78 5.048 -8.826 -3.681 617 HB2 LEU 78 HB2 LEU 78 7.303 -10.779 -3.288 618 HB3 LEU 78 HB3 LEU 78 6.955 -9.436 -2.220 619 HG LEU 78 HG LEU 78 4.623 -10.520 -2.029 620 HD11 LEU 78 HD11 LEU 78 4.892 -12.171 -3.799 621 HD12 LEU 78 HD12 LEU 78 6.247 -12.897 -2.933 622 HD13 LEU 78 HD13 LEU 78 4.623 -12.961 -2.246 623 HD21 LEU 78 HD21 LEU 78 5.386 -11.917 -0.169 624 HD22 LEU 78 HD22 LEU 78 7.042 -11.793 -0.761 625 HD23 LEU 78 HD23 LEU 78 6.200 -10.354 -0.189 626 H SER 79 H SER 79 7.533 -9.874 -5.924 627 HA SER 79 HA SER 79 9.253 -7.689 -5.718 628 HB2 SER 79 HB2 SER 79 9.583 -9.829 -7.072 629 HB3 SER 79 HB3 SER 79 8.567 -9.093 -8.310 630 HG SER 79 HG SER 79 10.917 -7.887 -7.262 631 H ALA 80 H ALA 80 6.273 -8.125 -7.483 632 HA ALA 80 HA ALA 80 6.322 -5.537 -8.730 633 HB1 ALA 80 HB1 ALA 80 5.296 -7.468 -9.836 634 HB2 ALA 80 HB2 ALA 80 4.081 -7.543 -8.559 635 HB3 ALA 80 HB3 ALA 80 4.154 -6.141 -9.626 636 H LEU 81 H LEU 81 5.951 -6.259 -5.609 637 HA LEU 81 HA LEU 81 3.314 -5.377 -5.025 638 HB2 LEU 81 HB2 LEU 81 5.192 -6.872 -3.712 639 HB3 LEU 81 HB3 LEU 81 5.137 -5.411 -2.749 640 HG LEU 81 HG LEU 81 3.589 -6.871 -1.749 641 HD11 LEU 81 HD11 LEU 81 1.961 -5.133 -3.593 642 HD12 LEU 81 HD12 LEU 81 1.405 -5.868 -2.090 643 HD13 LEU 81 HD13 LEU 81 2.667 -4.635 -2.055 644 HD21 LEU 81 HD21 LEU 81 3.491 -8.542 -3.495 645 HD22 LEU 81 HD22 LEU 81 1.863 -8.090 -2.993 646 HD23 LEU 81 HD23 LEU 81 2.524 -7.466 -4.503 647 H GLY 82 H GLY 82 5.332 -3.296 -6.236 648 HA2 GLY 82 HA2 GLY 82 4.949 -0.906 -5.857 649 HA3 GLY 82 HA3 GLY 82 4.660 -1.296 -4.185 650 H MET 83 H MET 83 7.462 -2.418 -6.116 651 HA MET 83 HA MET 83 9.188 -1.498 -4.029 652 HB2 MET 83 HB2 MET 83 11.038 -2.140 -5.569 653 HB3 MET 83 HB3 MET 83 9.866 -3.421 -5.311 654 HG2 MET 83 HG2 MET 83 8.847 -2.928 -7.472 655 HG3 MET 83 HG3 MET 83 10.015 -1.635 -7.728 656 HE1 MET 83 HE1 MET 83 13.385 -3.659 -7.899 657 HE2 MET 83 HE2 MET 83 12.646 -2.059 -7.937 658 HE3 MET 83 HE3 MET 83 12.640 -2.997 -6.444 659 H GLN 84 H GLN 84 8.430 0.568 -3.935 660 HA GLN 84 HA GLN 84 10.397 2.407 -4.795 661 HB2 GLN 84 HB2 GLN 84 8.532 4.096 -5.392 662 HB3 GLN 84 HB3 GLN 84 9.070 2.994 -6.637 663 HG2 GLN 84 HG2 GLN 84 7.148 1.538 -6.152 664 HG3 GLN 84 HG3 GLN 84 6.596 2.704 -4.951 665 HE21 GLN 84 HE21 GLN 84 7.024 2.057 -8.339 666 HE22 GLN 84 HE22 GLN 84 6.029 3.348 -8.911 667 H ASN 85 H ASN 85 9.740 4.514 -3.286 668 HA ASN 85 HA ASN 85 9.032 3.605 -0.745 669 HB2 ASN 85 HB2 ASN 85 8.185 5.915 -0.222 670 HB3 ASN 85 HB3 ASN 85 9.806 5.903 -0.924 671 HD21 ASN 85 HD21 ASN 85 8.795 5.495 -3.683 672 HD22 ASN 85 HD22 ASN 85 8.143 7.021 -4.152 673 H GLY 86 H GLY 86 7.365 2.303 -0.484 674 HA2 GLY 86 HA2 GLY 86 5.290 1.533 -0.220 675 HA3 GLY 86 HA3 GLY 86 4.785 3.212 -0.131 676 H CYS 87 H CYS 87 5.643 3.497 -3.068 677 HA CYS 87 HA CYS 87 4.640 3.507 -5.095 678 HB2 CYS 87 HB2 CYS 87 4.753 1.001 -4.731 679 HB3 CYS 87 HB3 CYS 87 3.069 1.103 -4.232 680 HG CYS 87 HG CYS 87 4.213 0.678 -7.221 681 H ARG 88 H ARG 88 1.855 2.433 -5.448 682 HA ARG 88 HA ARG 88 0.342 4.405 -3.899 683 HB2 ARG 88 HB2 ARG 88 -1.012 4.765 -6.043 684 HB3 ARG 88 HB3 ARG 88 0.571 5.521 -5.965 685 HG2 ARG 88 HG2 ARG 88 0.388 2.824 -7.188 686 HG3 ARG 88 HG3 ARG 88 -0.260 4.188 -8.097 687 HD2 ARG 88 HD2 ARG 88 2.503 4.263 -6.910 688 HD3 ARG 88 HD3 ARG 88 2.201 3.525 -8.482 689 HE ARG 88 HE ARG 88 1.052 6.046 -8.555 690 HH11 ARG 88 HH11 ARG 88 4.268 4.763 -8.046 691 HH12 ARG 88 HH12 ARG 88 5.056 6.064 -8.880 692 HH21 ARG 88 HH21 ARG 88 2.088 7.766 -9.645 693 HH22 ARG 88 HH22 ARG 88 3.823 7.761 -9.802 694 H VAL 89 H VAL 89 -1.770 3.787 -3.400 695 HA VAL 89 HA VAL 89 -2.923 1.338 -4.474 696 HB VAL 89 HB VAL 89 -3.464 0.501 -2.147 697 HG11 VAL 89 HG11 VAL 89 -0.567 0.444 -2.968 698 HG12 VAL 89 HG12 VAL 89 -1.337 -0.672 -1.838 699 HG13 VAL 89 HG13 VAL 89 -1.837 -0.643 -3.529 700 HG21 VAL 89 HG21 VAL 89 -2.916 2.491 -0.885 701 HG22 VAL 89 HG22 VAL 89 -1.949 1.126 -0.326 702 HG23 VAL 89 HG23 VAL 89 -1.223 2.353 -1.363 703 H MET 90 H MET 90 -4.889 2.061 -5.080 704 HA MET 90 HA MET 90 -6.279 3.599 -2.993 705 HB2 MET 90 HB2 MET 90 -6.729 5.288 -4.238 706 HB3 MET 90 HB3 MET 90 -5.658 4.628 -5.467 707 HG2 MET 90 HG2 MET 90 -7.581 3.503 -6.507 708 HG3 MET 90 HG3 MET 90 -8.630 4.190 -5.264 709 HE1 MET 90 HE1 MET 90 -9.656 6.229 -8.451 710 HE2 MET 90 HE2 MET 90 -9.236 4.520 -8.349 711 HE3 MET 90 HE3 MET 90 -10.237 5.257 -7.099 712 H LEU 91 H LEU 91 -8.196 3.085 -2.420 713 HA LEU 91 HA LEU 91 -9.279 0.675 -3.656 714 HB2 LEU 91 HB2 LEU 91 -10.346 0.141 -1.560 715 HB3 LEU 91 HB3 LEU 91 -8.621 0.287 -1.363 716 HG LEU 91 HG LEU 91 -9.426 1.226 0.569 717 HD11 LEU 91 HD11 LEU 91 -9.165 3.646 0.492 718 HD12 LEU 91 HD12 LEU 91 -7.899 2.795 -0.393 719 HD13 LEU 91 HD13 LEU 91 -9.209 3.586 -1.270 720 HD21 LEU 91 HD21 LEU 91 -11.370 2.699 0.747 721 HD22 LEU 91 HD22 LEU 91 -11.626 2.564 -0.993 722 HD23 LEU 91 HD23 LEU 91 -11.783 1.139 0.035 723 H ILE 92 H ILE 92 -11.164 0.710 -4.595 724 HA ILE 92 HA ILE 92 -12.739 3.143 -4.221 725 HB ILE 92 HB ILE 92 -13.063 1.039 -6.378 726 HG12 ILE 92 HG12 ILE 92 -11.726 3.754 -6.519 727 HG13 ILE 92 HG13 ILE 92 -10.901 2.202 -6.578 728 HG21 ILE 92 HG21 ILE 92 -14.233 3.809 -6.115 729 HG22 ILE 92 HG22 ILE 92 -14.465 2.718 -7.480 730 HG23 ILE 92 HG23 ILE 92 -15.103 2.292 -5.892 731 HD11 ILE 92 HD11 ILE 92 -11.128 3.210 -8.788 732 HD12 ILE 92 HD12 ILE 92 -11.995 1.679 -8.678 733 HD13 ILE 92 HD13 ILE 92 -12.882 3.200 -8.611 734 H GLY 93 H GLY 93 -14.167 2.963 -2.742 735 HA2 GLY 93 HA2 GLY 93 -16.381 1.374 -2.700 736 HA3 GLY 93 HA3 GLY 93 -15.164 0.420 -1.849 737 H GLU 94 H GLU 94 -14.709 0.856 0.195 738 HA GLU 94 HA GLU 94 -15.735 3.337 1.364 739 HB2 GLU 94 HB2 GLU 94 -16.244 0.526 2.345 740 HB3 GLU 94 HB3 GLU 94 -16.586 1.977 3.288 741 HG2 GLU 94 HG2 GLU 94 -18.228 2.696 1.709 742 HG3 GLU 94 HG3 GLU 94 -17.784 1.410 0.588 743 H LYS 95 H LYS 95 -14.437 4.209 2.889 744 HA LYS 95 HA LYS 95 -12.142 2.639 3.845 745 HB2 LYS 95 HB2 LYS 95 -12.714 5.596 3.691 746 HB3 LYS 95 HB3 LYS 95 -11.466 4.969 4.739 747 HG2 LYS 95 HG2 LYS 95 -11.490 4.416 1.789 748 HG3 LYS 95 HG3 LYS 95 -10.750 5.860 2.470 749 HD2 LYS 95 HD2 LYS 95 -9.602 3.969 4.001 750 HD3 LYS 95 HD3 LYS 95 -9.836 3.068 2.497 751 HE2 LYS 95 HE2 LYS 95 -7.700 4.096 2.305 752 HE3 LYS 95 HE3 LYS 95 -8.795 5.052 1.293 753 HZ1 LYS 95 HZ1 LYS 95 -7.970 5.760 4.059 754 HZ2 LYS 95 HZ2 LYS 95 -9.001 6.666 3.069 755 HZ3 LYS 95 HZ3 LYS 95 -7.373 6.466 2.640 756 H SER 96 H SER 96 -14.384 1.748 4.868 757 HA SER 96 HA SER 96 -15.731 3.114 6.851 758 HB2 SER 96 HB2 SER 96 -15.219 0.138 6.805 759 HB3 SER 96 HB3 SER 96 -16.594 0.975 7.528 760 HG SER 96 HG SER 96 -17.376 1.453 5.537 761 H ASN 97 H ASN 97 -15.164 3.841 8.746 762 HA ASN 97 HA ASN 97 -12.850 2.673 10.099 763 HB2 ASN 97 HB2 ASN 97 -13.097 4.847 11.524 764 HB3 ASN 97 HB3 ASN 97 -12.390 4.941 9.918 765 HD21 ASN 97 HD21 ASN 97 -15.822 4.646 10.737 766 HD22 ASN 97 HD22 ASN 97 -16.285 6.182 10.070 Start of MODEL 9 1 H1 MET 1 H1 MET 1 8.289 14.231 -9.839 2 H2 MET 1 H2 MET 1 8.133 15.532 -8.767 3 H3 MET 1 H3 MET 1 6.766 14.931 -9.575 4 HA MET 1 HA MET 1 8.381 13.377 -7.644 5 HB2 MET 1 HB2 MET 1 5.777 14.864 -7.273 6 HB3 MET 1 HB3 MET 1 6.379 13.657 -6.148 7 HG2 MET 1 HG2 MET 1 8.354 15.024 -5.729 8 HG3 MET 1 HG3 MET 1 7.760 16.230 -6.870 9 HE1 MET 1 HE1 MET 1 8.610 16.796 -3.796 10 HE2 MET 1 HE2 MET 1 8.109 18.048 -4.933 11 HE3 MET 1 HE3 MET 1 7.346 17.941 -3.345 12 H ALA 2 H ALA 2 8.262 11.722 -9.361 13 HA ALA 2 HA ALA 2 5.629 10.665 -9.961 14 HB1 ALA 2 HB1 ALA 2 7.375 10.647 -11.681 15 HB2 ALA 2 HB2 ALA 2 8.350 9.579 -10.675 16 HB3 ALA 2 HB3 ALA 2 6.806 9.019 -11.316 17 H LYS 3 H LYS 3 7.664 10.473 -7.389 18 HA LYS 3 HA LYS 3 7.574 9.295 -5.470 19 HB2 LYS 3 HB2 LYS 3 5.392 8.803 -5.209 20 HB3 LYS 3 HB3 LYS 3 5.219 8.202 -6.853 21 HG2 LYS 3 HG2 LYS 3 5.999 6.075 -6.280 22 HG3 LYS 3 HG3 LYS 3 6.676 6.642 -4.755 23 HD2 LYS 3 HD2 LYS 3 3.744 6.882 -5.207 24 HD3 LYS 3 HD3 LYS 3 4.434 5.301 -4.823 25 HE2 LYS 3 HE2 LYS 3 3.746 6.329 -2.778 26 HE3 LYS 3 HE3 LYS 3 5.507 6.287 -2.828 27 HZ1 LYS 3 HZ1 LYS 3 3.941 8.697 -3.600 28 HZ2 LYS 3 HZ2 LYS 3 5.592 8.593 -3.262 29 HZ3 LYS 3 HZ3 LYS 3 4.464 8.415 -2.015 30 H THR 4 H THR 4 7.608 7.276 -8.382 31 HA THR 4 HA THR 4 8.934 5.057 -7.372 32 HB THR 4 HB THR 4 9.476 6.217 -10.109 33 HG1 THR 4 HG1 THR 4 7.417 4.499 -10.133 34 HG21 THR 4 HG21 THR 4 9.523 3.838 -10.761 35 HG22 THR 4 HG22 THR 4 9.256 3.383 -9.078 36 HG23 THR 4 HG23 THR 4 10.741 4.213 -9.542 37 H GLU 5 H GLU 5 10.049 8.245 -7.858 38 HA GLU 5 HA GLU 5 12.870 7.643 -8.069 39 HB2 GLU 5 HB2 GLU 5 11.507 10.305 -7.624 40 HB3 GLU 5 HB3 GLU 5 13.137 10.035 -8.231 41 HG2 GLU 5 HG2 GLU 5 12.339 9.202 -10.288 42 HG3 GLU 5 HG3 GLU 5 10.692 9.056 -9.675 43 H GLU 6 H GLU 6 10.724 7.680 -5.532 44 HA GLU 6 HA GLU 6 12.407 9.099 -3.634 45 HB2 GLU 6 HB2 GLU 6 9.645 8.020 -3.630 46 HB3 GLU 6 HB3 GLU 6 10.459 8.166 -2.081 47 HG2 GLU 6 HG2 GLU 6 9.945 10.380 -4.054 48 HG3 GLU 6 HG3 GLU 6 9.113 10.107 -2.518 49 H MET 7 H MET 7 10.590 6.402 -2.539 50 HA MET 7 HA MET 7 11.079 4.550 -1.354 51 HB2 MET 7 HB2 MET 7 13.130 4.581 -3.363 52 HB3 MET 7 HB3 MET 7 13.805 4.006 -1.842 53 HG2 MET 7 HG2 MET 7 12.070 2.320 -1.684 54 HG3 MET 7 HG3 MET 7 11.342 2.906 -3.184 55 HE1 MET 7 HE1 MET 7 15.493 0.885 -2.917 56 HE2 MET 7 HE2 MET 7 15.170 2.505 -2.300 57 HE3 MET 7 HE3 MET 7 14.418 1.106 -1.536 58 H VAL 8 H VAL 8 11.519 7.216 -0.313 59 HA VAL 8 HA VAL 8 12.732 6.354 2.153 60 HB VAL 8 HB VAL 8 14.095 8.634 2.181 61 HG11 VAL 8 HG11 VAL 8 15.084 6.457 2.580 62 HG12 VAL 8 HG12 VAL 8 15.112 6.131 0.847 63 HG13 VAL 8 HG13 VAL 8 16.119 7.412 1.518 64 HG21 VAL 8 HG21 VAL 8 14.087 7.918 -0.749 65 HG22 VAL 8 HG22 VAL 8 13.462 9.399 -0.025 66 HG23 VAL 8 HG23 VAL 8 15.194 9.062 0.010 67 H GLN 9 H GLN 9 10.256 6.769 2.351 68 HA GLN 9 HA GLN 9 9.982 9.585 3.211 69 HB2 GLN 9 HB2 GLN 9 7.961 7.763 1.958 70 HB3 GLN 9 HB3 GLN 9 7.449 9.111 2.971 71 HG2 GLN 9 HG2 GLN 9 9.217 9.334 0.544 72 HG3 GLN 9 HG3 GLN 9 7.489 9.686 0.583 73 HE21 GLN 9 HE21 GLN 9 9.886 11.363 0.007 74 HE22 GLN 9 HE22 GLN 9 9.734 12.727 1.068 75 H THR 10 H THR 10 8.420 6.432 4.040 76 HA THR 10 HA THR 10 8.614 7.311 6.850 77 HB THR 10 HB THR 10 6.608 5.342 5.737 78 HG1 THR 10 HG1 THR 10 6.320 8.120 6.356 79 HG21 THR 10 HG21 THR 10 5.448 5.735 7.866 80 HG22 THR 10 HG22 THR 10 6.747 6.812 8.377 81 HG23 THR 10 HG23 THR 10 7.071 5.096 8.132 82 H GLU 11 H GLU 11 10.340 6.346 7.713 83 HA GLU 11 HA GLU 11 11.124 3.679 6.886 84 HB2 GLU 11 HB2 GLU 11 12.696 5.644 7.300 85 HB3 GLU 11 HB3 GLU 11 12.420 5.361 9.011 86 HG2 GLU 11 HG2 GLU 11 13.326 3.125 8.818 87 HG3 GLU 11 HG3 GLU 11 13.544 3.347 7.081 88 H GLU 12 H GLU 12 11.403 1.924 8.256 89 HA GLU 12 HA GLU 12 10.461 2.010 10.999 90 HB2 GLU 12 HB2 GLU 12 8.500 1.503 9.353 91 HB3 GLU 12 HB3 GLU 12 9.273 -0.066 9.174 92 HG2 GLU 12 HG2 GLU 12 9.169 0.262 11.900 93 HG3 GLU 12 HG3 GLU 12 7.658 0.988 11.351 94 H MET 13 H MET 13 10.304 -1.029 10.957 95 HA MET 13 HA MET 13 13.095 -1.323 11.550 96 HB2 MET 13 HB2 MET 13 10.819 -3.278 11.705 97 HB3 MET 13 HB3 MET 13 12.468 -3.637 12.200 98 HG2 MET 13 HG2 MET 13 12.364 -1.803 13.825 99 HG3 MET 13 HG3 MET 13 10.689 -1.513 13.360 100 HE1 MET 13 HE1 MET 13 8.679 -3.080 13.961 101 HE2 MET 13 HE2 MET 13 9.447 -4.327 12.977 102 HE3 MET 13 HE3 MET 13 8.868 -4.713 14.598 103 H GLU 14 H GLU 14 10.970 -2.804 9.044 104 HA GLU 14 HA GLU 14 13.448 -3.761 7.769 105 HB2 GLU 14 HB2 GLU 14 11.913 -5.542 7.862 106 HB3 GLU 14 HB3 GLU 14 10.555 -4.504 7.469 107 HG2 GLU 14 HG2 GLU 14 10.783 -5.520 5.459 108 HG3 GLU 14 HG3 GLU 14 11.914 -4.198 5.220 109 H THR 15 H THR 15 11.011 -1.340 7.472 110 HA THR 15 HA THR 15 10.891 -1.339 4.624 111 HB THR 15 HB THR 15 9.556 0.666 4.801 112 HG1 THR 15 HG1 THR 15 9.269 1.516 7.035 113 HG21 THR 15 HG21 THR 15 7.808 -0.097 6.338 114 HG22 THR 15 HG22 THR 15 8.947 -1.219 7.082 115 HG23 THR 15 HG23 THR 15 8.463 -1.440 5.400 116 HA PRO 16 HA PRO 16 14.442 1.140 3.980 117 HB2 PRO 16 HB2 PRO 16 14.209 1.478 1.317 118 HB3 PRO 16 HB3 PRO 16 14.598 -0.091 2.035 119 HG2 PRO 16 HG2 PRO 16 12.113 0.814 0.765 120 HG3 PRO 16 HG3 PRO 16 12.720 -0.828 1.018 121 HD2 PRO 16 HD2 PRO 16 10.760 0.622 2.558 122 HD3 PRO 16 HD3 PRO 16 11.346 -1.057 2.796 123 H ARG 17 H ARG 17 12.242 2.364 5.087 124 HA ARG 17 HA ARG 17 11.143 4.296 5.419 125 HB2 ARG 17 HB2 ARG 17 13.572 5.122 5.016 126 HB3 ARG 17 HB3 ARG 17 12.982 5.628 3.440 127 HG2 ARG 17 HG2 ARG 17 11.411 7.124 4.436 128 HG3 ARG 17 HG3 ARG 17 11.790 6.521 6.050 129 HD2 ARG 17 HD2 ARG 17 13.746 7.898 4.217 130 HD3 ARG 17 HD3 ARG 17 12.877 8.683 5.535 131 HE ARG 17 HE ARG 17 14.441 6.360 6.284 132 HH11 ARG 17 HH11 ARG 17 14.405 9.841 5.896 133 HH12 ARG 17 HH12 ARG 17 15.671 10.108 7.058 134 HH21 ARG 17 HH21 ARG 17 16.083 6.684 7.783 135 HH22 ARG 17 HH22 ARG 17 16.619 8.303 8.164 136 H LEU 18 H LEU 18 9.521 2.954 4.133 137 HA LEU 18 HA LEU 18 8.987 4.254 1.544 138 HB2 LEU 18 HB2 LEU 18 9.005 1.451 2.369 139 HB3 LEU 18 HB3 LEU 18 7.607 1.946 1.446 140 HG LEU 18 HG LEU 18 8.913 2.575 -0.426 141 HD11 LEU 18 HD11 LEU 18 10.750 3.651 0.701 142 HD12 LEU 18 HD12 LEU 18 11.341 2.093 1.279 143 HD13 LEU 18 HD13 LEU 18 11.351 2.455 -0.447 144 HD21 LEU 18 HD21 LEU 18 8.464 0.194 -0.214 145 HD22 LEU 18 HD22 LEU 18 10.017 0.478 -1.001 146 HD23 LEU 18 HD23 LEU 18 9.964 -0.019 0.690 147 H SER 19 H SER 19 7.275 5.465 1.468 148 HA SER 19 HA SER 19 4.934 4.837 3.123 149 HB2 SER 19 HB2 SER 19 5.991 6.833 3.928 150 HB3 SER 19 HB3 SER 19 6.090 7.494 2.286 151 HG SER 19 HG SER 19 4.001 7.477 4.080 152 H VAL 20 H VAL 20 3.098 4.567 2.094 153 HA VAL 20 HA VAL 20 3.046 4.861 -0.827 154 HB VAL 20 HB VAL 20 2.728 2.578 0.144 155 HG11 VAL 20 HG11 VAL 20 0.612 2.071 1.250 156 HG12 VAL 20 HG12 VAL 20 1.590 3.213 2.176 157 HG13 VAL 20 HG13 VAL 20 0.209 3.789 1.242 158 HG21 VAL 20 HG21 VAL 20 0.311 3.681 -1.280 159 HG22 VAL 20 HG22 VAL 20 1.780 3.072 -2.043 160 HG23 VAL 20 HG23 VAL 20 0.736 1.976 -1.141 161 H ILE 21 H ILE 21 1.138 5.570 -1.840 162 HA ILE 21 HA ILE 21 -0.478 7.496 -0.305 163 HB ILE 21 HB ILE 21 -0.851 7.004 -3.220 164 HG12 ILE 21 HG12 ILE 21 1.499 8.567 -2.125 165 HG13 ILE 21 HG13 ILE 21 1.615 6.954 -2.837 166 HG21 ILE 21 HG21 ILE 21 -1.148 9.439 -3.243 167 HG22 ILE 21 HG22 ILE 21 -2.207 8.663 -2.066 168 HG23 ILE 21 HG23 ILE 21 -0.751 9.501 -1.525 169 HD11 ILE 21 HD11 ILE 21 0.690 9.460 -4.237 170 HD12 ILE 21 HD12 ILE 21 2.253 8.665 -4.433 171 HD13 ILE 21 HD13 ILE 21 0.779 7.852 -4.957 172 H VAL 22 H VAL 22 -2.231 6.646 0.626 173 HA VAL 22 HA VAL 22 -3.671 4.513 -0.800 174 HB VAL 22 HB VAL 22 -4.052 5.371 2.069 175 HG11 VAL 22 HG11 VAL 22 -5.020 2.970 0.532 176 HG12 VAL 22 HG12 VAL 22 -5.281 3.266 2.251 177 HG13 VAL 22 HG13 VAL 22 -5.996 4.344 1.052 178 HG21 VAL 22 HG21 VAL 22 -1.818 4.451 1.766 179 HG22 VAL 22 HG22 VAL 22 -2.836 3.337 2.678 180 HG23 VAL 22 HG23 VAL 22 -2.498 3.030 0.974 181 H THR 23 H THR 23 -5.341 5.177 -1.911 182 HA THR 23 HA THR 23 -6.600 7.681 -1.057 183 HB THR 23 HB THR 23 -5.522 6.874 -3.728 184 HG1 THR 23 HG1 THR 23 -4.897 9.234 -3.440 185 HG21 THR 23 HG21 THR 23 -7.839 7.582 -4.174 186 HG22 THR 23 HG22 THR 23 -6.682 8.775 -4.765 187 HG23 THR 23 HG23 THR 23 -7.559 9.066 -3.263 188 H HIS 24 H HIS 24 -8.698 7.859 -1.155 189 HA HIS 24 HA HIS 24 -10.325 5.984 -2.741 190 HB2 HIS 24 HB2 HIS 24 -10.814 5.162 -0.606 191 HB3 HIS 24 HB3 HIS 24 -10.548 6.711 0.172 192 HD1 HIS 24 HD1 HIS 24 -13.118 5.385 -2.347 193 HD2 HIS 24 HD2 HIS 24 -12.861 7.689 1.108 194 HE1 HIS 24 HE1 HIS 24 -15.480 6.031 -1.781 195 HE2 HIS 24 HE2 HIS 24 -15.312 7.353 0.353 196 H SER 25 H SER 25 -11.162 7.302 -4.277 197 HA SER 25 HA SER 25 -12.021 9.118 -5.351 198 HB2 SER 25 HB2 SER 25 -12.665 9.878 -2.512 199 HB3 SER 25 HB3 SER 25 -13.072 10.940 -3.853 200 HG SER 25 HG SER 25 -13.833 8.405 -4.387 201 H ASN 26 H ASN 26 -10.192 10.130 -2.517 202 HA ASN 26 HA ASN 26 -8.097 11.436 -3.847 203 HB2 ASN 26 HB2 ASN 26 -9.830 13.119 -4.423 204 HB3 ASN 26 HB3 ASN 26 -10.228 13.286 -2.716 205 HD21 ASN 26 HD21 ASN 26 -9.730 15.471 -2.692 206 HD22 ASN 26 HD22 ASN 26 -8.093 16.043 -2.759 207 H GLU 27 H GLU 27 -10.241 11.138 -1.175 208 HA GLU 27 HA GLU 27 -8.850 11.853 1.053 209 HB2 GLU 27 HB2 GLU 27 -11.133 10.975 0.959 210 HB3 GLU 27 HB3 GLU 27 -10.512 9.379 0.598 211 HG2 GLU 27 HG2 GLU 27 -9.431 9.276 2.768 212 HG3 GLU 27 HG3 GLU 27 -10.027 10.896 3.149 213 H ARG 28 H ARG 28 -6.734 11.440 1.425 214 HA ARG 28 HA ARG 28 -5.842 8.674 1.008 215 HB2 ARG 28 HB2 ARG 28 -3.971 9.256 -0.194 216 HB3 ARG 28 HB3 ARG 28 -5.122 10.446 -0.767 217 HG2 ARG 28 HG2 ARG 28 -3.314 11.778 -0.436 218 HG3 ARG 28 HG3 ARG 28 -4.055 11.899 1.161 219 HD2 ARG 28 HD2 ARG 28 -2.572 10.141 1.989 220 HD3 ARG 28 HD3 ARG 28 -1.835 9.989 0.394 221 HE ARG 28 HE ARG 28 -0.908 12.199 0.697 222 HH11 ARG 28 HH11 ARG 28 -2.375 10.818 3.558 223 HH12 ARG 28 HH12 ARG 28 -1.381 11.710 4.662 224 HH21 ARG 28 HH21 ARG 28 0.404 13.380 2.144 225 HH22 ARG 28 HH22 ARG 28 0.209 13.156 3.864 226 H TYR 29 H TYR 29 -4.531 7.791 2.432 227 HA TYR 29 HA TYR 29 -3.493 9.433 4.651 228 HB2 TYR 29 HB2 TYR 29 -5.396 7.786 5.244 229 HB3 TYR 29 HB3 TYR 29 -4.243 6.504 4.884 230 HD1 TYR 29 HD1 TYR 29 -4.966 9.325 7.167 231 HD2 TYR 29 HD2 TYR 29 -2.539 5.909 6.433 232 HE1 TYR 29 HE1 TYR 29 -4.106 9.445 9.470 233 HE2 TYR 29 HE2 TYR 29 -1.677 6.016 8.731 234 HH TYR 29 HH TYR 29 -3.095 7.922 11.145 235 H ASP 30 H ASP 30 -1.284 9.132 5.028 236 HA ASP 30 HA ASP 30 0.088 7.586 3.010 237 HB2 ASP 30 HB2 ASP 30 2.157 8.423 3.997 238 HB3 ASP 30 HB3 ASP 30 1.027 9.744 3.739 239 H LEU 31 H LEU 31 0.594 5.600 3.161 240 HA LEU 31 HA LEU 31 0.404 4.227 5.761 241 HB2 LEU 31 HB2 LEU 31 -1.050 3.875 3.372 242 HB3 LEU 31 HB3 LEU 31 0.058 2.522 3.450 243 HG LEU 31 HG LEU 31 -2.264 2.131 4.395 244 HD11 LEU 31 HD11 LEU 31 -1.375 0.912 6.365 245 HD12 LEU 31 HD12 LEU 31 -0.375 0.677 4.932 246 HD13 LEU 31 HD13 LEU 31 0.153 1.778 6.204 247 HD21 LEU 31 HD21 LEU 31 -2.488 4.313 5.501 248 HD22 LEU 31 HD22 LEU 31 -2.681 2.983 6.644 249 HD23 LEU 31 HD23 LEU 31 -1.176 3.901 6.603 250 H LEU 32 H LEU 32 1.902 2.341 5.967 251 HA LEU 32 HA LEU 32 4.317 2.959 4.412 252 HB2 LEU 32 HB2 LEU 32 5.002 3.531 6.488 253 HB3 LEU 32 HB3 LEU 32 3.882 2.439 7.289 254 HG LEU 32 HG LEU 32 6.182 1.210 5.849 255 HD11 LEU 32 HD11 LEU 32 7.211 3.116 6.984 256 HD12 LEU 32 HD12 LEU 32 6.438 2.637 8.496 257 HD13 LEU 32 HD13 LEU 32 7.657 1.596 7.761 258 HD21 LEU 32 HD21 LEU 32 4.826 0.690 8.500 259 HD22 LEU 32 HD22 LEU 32 4.523 -0.177 6.994 260 HD23 LEU 32 HD23 LEU 32 6.096 -0.301 7.782 261 H VAL 33 H VAL 33 5.489 1.358 3.507 262 HA VAL 33 HA VAL 33 4.028 -0.890 2.637 263 HB VAL 33 HB VAL 33 6.635 0.308 2.023 264 HG11 VAL 33 HG11 VAL 33 7.813 -1.667 1.288 265 HG12 VAL 33 HG12 VAL 33 7.517 -1.767 3.024 266 HG13 VAL 33 HG13 VAL 33 6.527 -2.705 1.904 267 HG21 VAL 33 HG21 VAL 33 6.134 -0.589 -0.188 268 HG22 VAL 33 HG22 VAL 33 4.807 -1.534 0.488 269 HG23 VAL 33 HG23 VAL 33 4.733 0.228 0.506 270 H THR 34 H THR 34 4.495 -3.155 3.006 271 HA THR 34 HA THR 34 4.583 -3.417 5.871 272 HB THR 34 HB THR 34 4.031 -5.546 3.799 273 HG1 THR 34 HG1 THR 34 2.632 -3.563 3.845 274 HG21 THR 34 HG21 THR 34 4.529 -6.459 6.004 275 HG22 THR 34 HG22 THR 34 2.813 -6.645 5.640 276 HG23 THR 34 HG23 THR 34 3.348 -5.374 6.739 277 HA PRO 35 HA PRO 35 8.837 -4.558 5.845 278 HB2 PRO 35 HB2 PRO 35 9.089 -4.808 8.504 279 HB3 PRO 35 HB3 PRO 35 8.907 -3.234 7.725 280 HG2 PRO 35 HG2 PRO 35 6.816 -4.920 9.060 281 HG3 PRO 35 HG3 PRO 35 7.131 -3.183 9.244 282 HD2 PRO 35 HD2 PRO 35 5.180 -4.129 7.635 283 HD3 PRO 35 HD3 PRO 35 6.095 -2.657 7.248 284 H GLN 36 H GLN 36 10.173 -6.285 6.646 285 HA GLN 36 HA GLN 36 10.776 -8.424 6.843 286 HB2 GLN 36 HB2 GLN 36 7.902 -8.979 7.600 287 HB3 GLN 36 HB3 GLN 36 9.218 -10.141 7.700 288 HG2 GLN 36 HG2 GLN 36 10.364 -8.635 9.294 289 HG3 GLN 36 HG3 GLN 36 8.959 -7.574 9.244 290 HE21 GLN 36 HE21 GLN 36 7.018 -8.273 10.171 291 HE22 GLN 36 HE22 GLN 36 6.983 -9.543 11.346 292 H GLN 37 H GLN 37 10.964 -7.858 4.551 293 HA GLN 37 HA GLN 37 9.949 -10.071 2.996 294 HB2 GLN 37 HB2 GLN 37 8.731 -7.477 2.661 295 HB3 GLN 37 HB3 GLN 37 9.732 -7.821 1.253 296 HG2 GLN 37 HG2 GLN 37 7.265 -9.148 2.180 297 HG3 GLN 37 HG3 GLN 37 7.819 -8.777 0.541 298 HE21 GLN 37 HE21 GLN 37 7.955 -11.052 3.171 299 HE22 GLN 37 HE22 GLN 37 8.657 -12.351 2.275 300 H GLY 38 H GLY 38 11.054 -7.076 1.697 301 HA2 GLY 38 HA2 GLY 38 13.869 -7.692 1.924 302 HA3 GLY 38 HA3 GLY 38 13.230 -7.714 0.276 303 H ASN 39 H ASN 39 11.836 -5.763 2.699 304 HA ASN 39 HA ASN 39 11.096 -3.677 2.689 305 HB2 ASN 39 HB2 ASN 39 12.706 -1.924 2.898 306 HB3 ASN 39 HB3 ASN 39 13.268 -3.380 3.717 307 HD21 ASN 39 HD21 ASN 39 15.388 -2.986 3.721 308 HD22 ASN 39 HD22 ASN 39 16.372 -2.794 2.308 309 H SER 40 H SER 40 12.760 -4.407 -0.276 310 HA SER 40 HA SER 40 11.603 -2.111 -1.622 311 HB2 SER 40 HB2 SER 40 13.154 -4.411 -2.826 312 HB3 SER 40 HB3 SER 40 12.905 -2.802 -3.514 313 HG SER 40 HG SER 40 14.017 -2.608 -1.062 314 H GLU 41 H GLU 41 10.984 -5.459 -1.094 315 HA GLU 41 HA GLU 41 8.891 -5.420 -3.137 316 HB2 GLU 41 HB2 GLU 41 9.396 -7.932 -3.334 317 HB3 GLU 41 HB3 GLU 41 10.514 -6.810 -4.094 318 HG2 GLU 41 HG2 GLU 41 11.961 -7.007 -2.067 319 HG3 GLU 41 HG3 GLU 41 10.887 -8.286 -1.500 320 HA PRO 42 HA PRO 42 7.038 -5.949 1.000 321 HB2 PRO 42 HB2 PRO 42 4.660 -5.041 -0.500 322 HB3 PRO 42 HB3 PRO 42 5.364 -4.403 0.989 323 HG2 PRO 42 HG2 PRO 42 5.571 -3.093 -1.331 324 HG3 PRO 42 HG3 PRO 42 6.881 -3.086 -0.134 325 HD2 PRO 42 HD2 PRO 42 6.634 -4.646 -2.674 326 HD3 PRO 42 HD3 PRO 42 8.063 -3.864 -1.966 327 H VAL 43 H VAL 43 5.083 -7.144 1.719 328 HA VAL 43 HA VAL 43 5.050 -9.694 0.396 329 HB VAL 43 HB VAL 43 3.545 -10.414 2.200 330 HG11 VAL 43 HG11 VAL 43 5.109 -10.162 4.072 331 HG12 VAL 43 HG12 VAL 43 5.932 -10.565 2.564 332 HG13 VAL 43 HG13 VAL 43 5.963 -8.911 3.168 333 HG21 VAL 43 HG21 VAL 43 3.762 -7.564 3.155 334 HG22 VAL 43 HG22 VAL 43 2.306 -8.361 2.557 335 HG23 VAL 43 HG23 VAL 43 3.046 -8.893 4.066 336 H VAL 44 H VAL 44 2.995 -10.832 -0.102 337 HA VAL 44 HA VAL 44 1.392 -9.541 -1.957 338 HB VAL 44 HB VAL 44 -0.299 -11.394 -1.417 339 HG11 VAL 44 HG11 VAL 44 1.324 -11.521 -3.240 340 HG12 VAL 44 HG12 VAL 44 2.533 -12.151 -2.121 341 HG13 VAL 44 HG13 VAL 44 1.089 -13.097 -2.484 342 HG21 VAL 44 HG21 VAL 44 1.976 -12.316 0.337 343 HG22 VAL 44 HG22 VAL 44 0.396 -11.773 0.903 344 HG23 VAL 44 HG23 VAL 44 0.530 -13.246 -0.060 345 H GLN 45 H GLN 45 1.146 -9.705 1.464 346 HA GLN 45 HA GLN 45 -1.562 -8.960 1.773 347 HB2 GLN 45 HB2 GLN 45 0.755 -8.776 3.701 348 HB3 GLN 45 HB3 GLN 45 -0.931 -8.519 4.132 349 HG2 GLN 45 HG2 GLN 45 -1.462 -10.804 3.530 350 HG3 GLN 45 HG3 GLN 45 0.201 -11.068 3.007 351 HE21 GLN 45 HE21 GLN 45 -1.416 -12.397 5.077 352 HE22 GLN 45 HE22 GLN 45 -0.491 -12.258 6.536 353 H ASP 46 H ASP 46 1.360 -7.174 1.233 354 HA ASP 46 HA ASP 46 0.857 -4.856 2.716 355 HB2 ASP 46 HB2 ASP 46 3.077 -5.261 1.909 356 HB3 ASP 46 HB3 ASP 46 2.502 -5.385 0.252 357 H LEU 47 H LEU 47 -0.033 -5.679 -0.606 358 HA LEU 47 HA LEU 47 -0.822 -3.104 -1.372 359 HB2 LEU 47 HB2 LEU 47 -2.178 -4.353 -3.126 360 HB3 LEU 47 HB3 LEU 47 -0.459 -4.654 -3.095 361 HG LEU 47 HG LEU 47 -1.175 -6.716 -1.598 362 HD11 LEU 47 HD11 LEU 47 -3.538 -6.173 -1.510 363 HD12 LEU 47 HD12 LEU 47 -3.630 -6.240 -3.270 364 HD13 LEU 47 HD13 LEU 47 -3.268 -7.699 -2.350 365 HD21 LEU 47 HD21 LEU 47 0.029 -6.897 -3.674 366 HD22 LEU 47 HD22 LEU 47 -1.278 -8.080 -3.633 367 HD23 LEU 47 HD23 LEU 47 -1.450 -6.610 -4.591 368 H ALA 48 H ALA 48 -2.678 -5.769 0.015 369 HA ALA 48 HA ALA 48 -5.156 -4.374 0.137 370 HB1 ALA 48 HB1 ALA 48 -5.005 -6.832 0.191 371 HB2 ALA 48 HB2 ALA 48 -4.212 -6.739 1.763 372 HB3 ALA 48 HB3 ALA 48 -5.881 -6.196 1.582 373 H GLN 49 H GLN 49 -2.418 -4.788 2.207 374 HA GLN 49 HA GLN 49 -3.515 -4.064 4.662 375 HB2 GLN 49 HB2 GLN 49 -1.410 -5.204 4.542 376 HB3 GLN 49 HB3 GLN 49 -0.711 -3.948 3.557 377 HG2 GLN 49 HG2 GLN 49 0.240 -3.495 5.556 378 HG3 GLN 49 HG3 GLN 49 -1.162 -2.434 5.596 379 HE21 GLN 49 HE21 GLN 49 -3.063 -4.567 6.130 380 HE22 GLN 49 HE22 GLN 49 -2.829 -5.019 7.779 381 H LEU 50 H LEU 50 -1.723 -2.246 2.279 382 HA LEU 50 HA LEU 50 -1.477 0.125 3.751 383 HB2 LEU 50 HB2 LEU 50 -1.604 -0.328 0.776 384 HB3 LEU 50 HB3 LEU 50 -1.065 1.159 1.530 385 HG LEU 50 HG LEU 50 0.313 -1.509 1.874 386 HD11 LEU 50 HD11 LEU 50 0.505 -0.691 -0.411 387 HD12 LEU 50 HD12 LEU 50 1.086 0.861 0.196 388 HD13 LEU 50 HD13 LEU 50 2.045 -0.598 0.444 389 HD21 LEU 50 HD21 LEU 50 0.576 -0.022 3.781 390 HD22 LEU 50 HD22 LEU 50 2.085 -0.225 2.891 391 HD23 LEU 50 HD23 LEU 50 1.141 1.253 2.701 392 H VAL 51 H VAL 51 -3.873 -0.707 1.229 393 HA VAL 51 HA VAL 51 -5.345 1.690 1.414 394 HB VAL 51 HB VAL 51 -5.377 -0.744 -0.012 395 HG11 VAL 51 HG11 VAL 51 -7.278 -1.466 1.275 396 HG12 VAL 51 HG12 VAL 51 -8.087 0.075 0.985 397 HG13 VAL 51 HG13 VAL 51 -7.790 -1.030 -0.356 398 HG21 VAL 51 HG21 VAL 51 -6.575 0.623 -1.644 399 HG22 VAL 51 HG22 VAL 51 -6.804 1.862 -0.410 400 HG23 VAL 51 HG23 VAL 51 -5.178 1.457 -0.960 401 H GLU 52 H GLU 52 -5.472 -1.395 3.093 402 HA GLU 52 HA GLU 52 -7.957 -1.081 4.422 403 HB2 GLU 52 HB2 GLU 52 -7.170 -3.275 4.234 404 HB3 GLU 52 HB3 GLU 52 -5.549 -2.845 4.751 405 HG2 GLU 52 HG2 GLU 52 -6.336 -2.556 7.028 406 HG3 GLU 52 HG3 GLU 52 -7.983 -2.928 6.521 407 H GLU 53 H GLU 53 -4.588 -0.543 5.428 408 HA GLU 53 HA GLU 53 -5.269 0.015 8.133 409 HB2 GLU 53 HB2 GLU 53 -3.089 -0.831 7.689 410 HB3 GLU 53 HB3 GLU 53 -2.754 0.446 6.530 411 HG2 GLU 53 HG2 GLU 53 -1.809 1.618 8.138 412 HG3 GLU 53 HG3 GLU 53 -3.373 1.725 8.940 413 H ALA 54 H ALA 54 -5.117 1.941 5.258 414 HA ALA 54 HA ALA 54 -4.530 4.435 6.315 415 HB1 ALA 54 HB1 ALA 54 -4.746 4.008 3.927 416 HB2 ALA 54 HB2 ALA 54 -6.489 3.811 4.112 417 HB3 ALA 54 HB3 ALA 54 -5.742 5.379 4.418 418 H THR 55 H THR 55 -7.775 2.930 6.013 419 HA THR 55 HA THR 55 -8.681 4.934 7.978 420 HB THR 55 HB THR 55 -10.973 3.842 6.944 421 HG1 THR 55 HG1 THR 55 -10.276 2.871 5.172 422 HG21 THR 55 HG21 THR 55 -9.442 6.264 5.978 423 HG22 THR 55 HG22 THR 55 -10.550 6.217 7.351 424 HG23 THR 55 HG23 THR 55 -11.159 5.965 5.715 425 H GLY 56 H GLY 56 -7.829 1.718 7.830 426 HA2 GLY 56 HA2 GLY 56 -8.019 0.145 9.551 427 HA3 GLY 56 HA3 GLY 56 -9.237 1.161 10.312 428 H VAL 57 H VAL 57 -9.482 0.371 6.973 429 HA VAL 57 HA VAL 57 -12.112 -0.774 7.475 430 HB VAL 57 HB VAL 57 -10.787 -0.049 4.856 431 HG11 VAL 57 HG11 VAL 57 -12.650 -1.587 4.586 432 HG12 VAL 57 HG12 VAL 57 -13.686 -0.514 5.528 433 HG13 VAL 57 HG13 VAL 57 -13.060 0.013 3.966 434 HG21 VAL 57 HG21 VAL 57 -12.668 1.574 6.552 435 HG22 VAL 57 HG22 VAL 57 -10.945 1.882 6.332 436 HG23 VAL 57 HG23 VAL 57 -12.049 2.025 4.964 437 HA PRO 58 HA PRO 58 -10.742 -4.956 6.572 438 HB2 PRO 58 HB2 PRO 58 -13.141 -6.075 6.168 439 HB3 PRO 58 HB3 PRO 58 -12.630 -5.563 7.774 440 HG2 PRO 58 HG2 PRO 58 -14.285 -4.042 5.767 441 HG3 PRO 58 HG3 PRO 58 -14.680 -4.403 7.472 442 HD2 PRO 58 HD2 PRO 58 -13.641 -2.051 6.800 443 HD3 PRO 58 HD3 PRO 58 -13.089 -2.879 8.273 444 H LEU 59 H LEU 59 -10.647 -6.416 4.800 445 HA LEU 59 HA LEU 59 -10.294 -5.439 2.279 446 HB2 LEU 59 HB2 LEU 59 -9.594 -7.642 3.104 447 HB3 LEU 59 HB3 LEU 59 -11.244 -8.218 2.969 448 HG LEU 59 HG LEU 59 -9.779 -7.181 0.558 449 HD11 LEU 59 HD11 LEU 59 -8.335 -8.857 1.610 450 HD12 LEU 59 HD12 LEU 59 -9.681 -9.996 1.632 451 HD13 LEU 59 HD13 LEU 59 -9.020 -9.442 0.094 452 HD21 LEU 59 HD21 LEU 59 -11.973 -9.222 0.921 453 HD22 LEU 59 HD22 LEU 59 -12.181 -7.570 0.338 454 HD23 LEU 59 HD23 LEU 59 -11.264 -8.734 -0.618 455 HA PRO 60 HA PRO 60 -14.667 -6.811 0.847 456 HB2 PRO 60 HB2 PRO 60 -16.716 -6.600 2.688 457 HB3 PRO 60 HB3 PRO 60 -15.941 -8.091 2.155 458 HG2 PRO 60 HG2 PRO 60 -15.725 -6.700 4.678 459 HG3 PRO 60 HG3 PRO 60 -15.212 -8.338 4.268 460 HD2 PRO 60 HD2 PRO 60 -13.614 -6.010 4.612 461 HD3 PRO 60 HD3 PRO 60 -13.070 -7.629 4.168 462 H PHE 61 H PHE 61 -13.949 -4.011 2.675 463 HA PHE 61 HA PHE 61 -16.282 -2.622 1.543 464 HB2 PHE 61 HB2 PHE 61 -14.662 -2.028 3.999 465 HB3 PHE 61 HB3 PHE 61 -15.754 -0.850 3.281 466 HD1 PHE 61 HD1 PHE 61 -15.598 -4.205 4.826 467 HD2 PHE 61 HD2 PHE 61 -18.069 -0.925 3.705 468 HE1 PHE 61 HE1 PHE 61 -17.464 -5.185 6.089 469 HE2 PHE 61 HE2 PHE 61 -19.943 -1.903 4.968 470 HZ PHE 61 HZ PHE 61 -19.665 -4.020 6.136 471 H GLN 62 H GLN 62 -13.021 -3.030 1.283 472 HA GLN 62 HA GLN 62 -12.952 -0.630 -0.379 473 HB2 GLN 62 HB2 GLN 62 -10.669 -0.369 0.099 474 HB3 GLN 62 HB3 GLN 62 -11.497 -0.314 1.591 475 HG2 GLN 62 HG2 GLN 62 -10.744 -2.977 1.243 476 HG3 GLN 62 HG3 GLN 62 -9.372 -2.019 0.680 477 HE21 GLN 62 HE21 GLN 62 -9.543 -3.711 2.985 478 HE22 GLN 62 HE22 GLN 62 -9.235 -2.714 4.365 479 H LYS 63 H LYS 63 -12.548 -1.025 -2.483 480 HA LYS 63 HA LYS 63 -11.213 -3.559 -3.095 481 HB2 LYS 63 HB2 LYS 63 -13.378 -2.907 -4.318 482 HB3 LYS 63 HB3 LYS 63 -12.389 -1.711 -5.159 483 HG2 LYS 63 HG2 LYS 63 -10.877 -3.530 -5.876 484 HG3 LYS 63 HG3 LYS 63 -11.975 -4.693 -5.135 485 HD2 LYS 63 HD2 LYS 63 -13.774 -3.709 -6.635 486 HD3 LYS 63 HD3 LYS 63 -12.461 -2.906 -7.502 487 HE2 LYS 63 HE2 LYS 63 -12.830 -5.872 -7.106 488 HE3 LYS 63 HE3 LYS 63 -13.006 -4.976 -8.613 489 HZ1 LYS 63 HZ1 LYS 63 -10.869 -6.179 -8.380 490 HZ2 LYS 63 HZ2 LYS 63 -10.461 -5.159 -7.094 491 HZ3 LYS 63 HZ3 LYS 63 -10.686 -4.515 -8.648 492 H LEU 64 H LEU 64 -9.132 -3.154 -2.742 493 HA LEU 64 HA LEU 64 -7.931 -0.653 -3.423 494 HB2 LEU 64 HB2 LEU 64 -7.074 -1.696 -1.486 495 HB3 LEU 64 HB3 LEU 64 -6.953 -3.251 -2.278 496 HG LEU 64 HG LEU 64 -4.813 -1.906 -1.684 497 HD11 LEU 64 HD11 LEU 64 -5.172 -3.162 -4.393 498 HD12 LEU 64 HD12 LEU 64 -3.622 -2.838 -3.617 499 HD13 LEU 64 HD13 LEU 64 -4.747 -3.992 -2.895 500 HD21 LEU 64 HD21 LEU 64 -5.516 -0.627 -4.312 501 HD22 LEU 64 HD22 LEU 64 -5.477 0.183 -2.747 502 HD23 LEU 64 HD23 LEU 64 -3.990 -0.459 -3.442 503 H ILE 65 H ILE 65 -7.351 -0.114 -5.324 504 HA ILE 65 HA ILE 65 -6.215 -2.117 -7.174 505 HB ILE 65 HB ILE 65 -7.756 0.390 -7.807 506 HG12 ILE 65 HG12 ILE 65 -8.603 -2.504 -8.145 507 HG13 ILE 65 HG13 ILE 65 -9.202 -1.404 -6.909 508 HG21 ILE 65 HG21 ILE 65 -6.051 -0.132 -9.477 509 HG22 ILE 65 HG22 ILE 65 -6.693 -1.766 -9.642 510 HG23 ILE 65 HG23 ILE 65 -7.665 -0.382 -10.144 511 HD11 ILE 65 HD11 ILE 65 -10.167 0.015 -8.642 512 HD12 ILE 65 HD12 ILE 65 -9.570 -1.092 -9.877 513 HD13 ILE 65 HD13 ILE 65 -10.791 -1.634 -8.725 514 H PHE 66 H PHE 66 -4.070 -1.681 -6.919 515 HA PHE 66 HA PHE 66 -3.122 0.533 -8.314 516 HB2 PHE 66 HB2 PHE 66 -3.355 1.099 -5.580 517 HB3 PHE 66 HB3 PHE 66 -1.634 0.935 -5.951 518 HD1 PHE 66 HD1 PHE 66 -1.151 1.949 -8.472 519 HD2 PHE 66 HD2 PHE 66 -4.087 3.300 -5.708 520 HE1 PHE 66 HE1 PHE 66 -1.164 4.155 -9.566 521 HE2 PHE 66 HE2 PHE 66 -4.103 5.506 -6.791 522 HZ PHE 66 HZ PHE 66 -2.642 5.935 -8.726 523 H LYS 67 H LYS 67 -0.910 0.375 -8.864 524 HA LYS 67 HA LYS 67 0.994 -0.704 -9.395 525 HB2 LYS 67 HB2 LYS 67 1.543 -2.726 -7.569 526 HB3 LYS 67 HB3 LYS 67 2.139 -1.085 -7.512 527 HG2 LYS 67 HG2 LYS 67 0.410 -0.468 -5.930 528 HG3 LYS 67 HG3 LYS 67 -0.333 -2.084 -6.042 529 HD2 LYS 67 HD2 LYS 67 1.867 -3.016 -5.226 530 HD3 LYS 67 HD3 LYS 67 2.441 -1.368 -4.994 531 HE2 LYS 67 HE2 LYS 67 0.259 -1.155 -3.545 532 HE3 LYS 67 HE3 LYS 67 0.395 -2.910 -3.463 533 HZ1 LYS 67 HZ1 LYS 67 2.754 -2.530 -2.699 534 HZ2 LYS 67 HZ2 LYS 67 1.555 -2.086 -1.597 535 HZ3 LYS 67 HZ3 LYS 67 2.354 -0.898 -2.500 536 H GLY 68 H GLY 68 -1.460 -1.504 -10.383 537 HA2 GLY 68 HA2 GLY 68 -2.440 -3.135 -11.632 538 HA3 GLY 68 HA3 GLY 68 -0.873 -3.934 -11.680 539 H LYS 69 H LYS 69 -2.010 -3.287 -8.617 540 HA LYS 69 HA LYS 69 -2.750 -6.105 -8.263 541 HB2 LYS 69 HB2 LYS 69 -1.346 -4.186 -6.410 542 HB3 LYS 69 HB3 LYS 69 -1.909 -5.783 -5.930 543 HG2 LYS 69 HG2 LYS 69 -0.441 -6.821 -7.532 544 HG3 LYS 69 HG3 LYS 69 0.073 -5.239 -8.122 545 HD2 LYS 69 HD2 LYS 69 1.359 -4.822 -6.285 546 HD3 LYS 69 HD3 LYS 69 0.354 -5.812 -5.222 547 HE2 LYS 69 HE2 LYS 69 2.529 -6.843 -5.610 548 HE3 LYS 69 HE3 LYS 69 1.217 -7.826 -6.244 549 HZ1 LYS 69 HZ1 LYS 69 2.875 -5.989 -7.877 550 HZ2 LYS 69 HZ2 LYS 69 1.696 -7.059 -8.451 551 HZ3 LYS 69 HZ3 LYS 69 3.119 -7.658 -7.759 552 H SER 70 H SER 70 -4.442 -6.601 -7.050 553 HA SER 70 HA SER 70 -6.004 -4.384 -5.966 554 HB2 SER 70 HB2 SER 70 -6.970 -5.620 -8.031 555 HB3 SER 70 HB3 SER 70 -7.239 -6.975 -6.931 556 HG SER 70 HG SER 70 -8.131 -4.468 -6.104 557 H LEU 71 H LEU 71 -7.127 -4.885 -3.943 558 HA LEU 71 HA LEU 71 -5.361 -6.342 -2.250 559 HB2 LEU 71 HB2 LEU 71 -6.528 -5.617 -0.427 560 HB3 LEU 71 HB3 LEU 71 -6.906 -4.368 -1.621 561 HG LEU 71 HG LEU 71 -8.714 -6.684 -0.913 562 HD11 LEU 71 HD11 LEU 71 -10.032 -5.007 0.302 563 HD12 LEU 71 HD12 LEU 71 -8.423 -5.224 0.990 564 HD13 LEU 71 HD13 LEU 71 -8.770 -3.813 -0.006 565 HD21 LEU 71 HD21 LEU 71 -10.430 -5.428 -2.089 566 HD22 LEU 71 HD22 LEU 71 -9.257 -4.173 -2.491 567 HD23 LEU 71 HD23 LEU 71 -9.080 -5.793 -3.164 568 H LYS 72 H LYS 72 -5.460 -8.324 -1.350 569 HA LYS 72 HA LYS 72 -7.840 -9.825 -1.175 570 HB2 LYS 72 HB2 LYS 72 -7.156 -9.881 -3.687 571 HB3 LYS 72 HB3 LYS 72 -5.850 -10.926 -3.165 572 HG2 LYS 72 HG2 LYS 72 -7.402 -12.584 -2.388 573 HG3 LYS 72 HG3 LYS 72 -8.769 -11.518 -2.736 574 HD2 LYS 72 HD2 LYS 72 -8.320 -11.593 -5.078 575 HD3 LYS 72 HD3 LYS 72 -6.794 -12.434 -4.813 576 HE2 LYS 72 HE2 LYS 72 -7.997 -14.385 -3.994 577 HE3 LYS 72 HE3 LYS 72 -9.532 -13.540 -4.211 578 HZ1 LYS 72 HZ1 LYS 72 -8.939 -15.080 -6.053 579 HZ2 LYS 72 HZ2 LYS 72 -7.619 -14.081 -6.421 580 HZ3 LYS 72 HZ3 LYS 72 -9.201 -13.483 -6.555 581 H GLU 73 H GLU 73 -5.448 -9.049 0.379 582 HA GLU 73 HA GLU 73 -3.763 -9.808 1.685 583 HB2 GLU 73 HB2 GLU 73 -5.347 -12.373 1.544 584 HB3 GLU 73 HB3 GLU 73 -3.980 -12.114 2.616 585 HG2 GLU 73 HG2 GLU 73 -5.243 -10.206 3.621 586 HG3 GLU 73 HG3 GLU 73 -6.634 -10.708 2.659 587 H MET 74 H MET 74 -3.972 -13.067 0.484 588 HA MET 74 HA MET 74 -1.306 -12.831 -0.605 589 HB2 MET 74 HB2 MET 74 -1.618 -15.299 -1.089 590 HB3 MET 74 HB3 MET 74 -1.681 -14.826 0.600 591 HG2 MET 74 HG2 MET 74 -4.122 -14.928 0.542 592 HG3 MET 74 HG3 MET 74 -4.062 -15.394 -1.155 593 HE1 MET 74 HE1 MET 74 -5.611 -17.506 -0.552 594 HE2 MET 74 HE2 MET 74 -5.203 -18.677 0.702 595 HE3 MET 74 HE3 MET 74 -5.612 -17.020 1.144 596 H GLU 75 H GLU 75 -1.783 -11.337 -2.287 597 HA GLU 75 HA GLU 75 -3.362 -12.393 -4.487 598 HB2 GLU 75 HB2 GLU 75 -4.184 -10.352 -3.488 599 HB3 GLU 75 HB3 GLU 75 -2.631 -9.579 -3.724 600 HG2 GLU 75 HG2 GLU 75 -4.572 -9.001 -5.294 601 HG3 GLU 75 HG3 GLU 75 -2.976 -9.283 -5.987 602 H THR 76 H THR 76 -1.263 -9.729 -5.136 603 HA THR 76 HA THR 76 -0.131 -11.363 -7.284 604 HB THR 76 HB THR 76 0.480 -8.518 -7.396 605 HG1 THR 76 HG1 THR 76 -2.257 -9.333 -7.288 606 HG21 THR 76 HG21 THR 76 -0.586 -8.723 -9.594 607 HG22 THR 76 HG22 THR 76 -1.146 -10.342 -9.174 608 HG23 THR 76 HG23 THR 76 0.580 -10.020 -9.332 609 HA PRO 77 HA PRO 77 4.185 -11.945 -6.415 610 HB2 PRO 77 HB2 PRO 77 4.470 -9.876 -8.563 611 HB3 PRO 77 HB3 PRO 77 5.385 -11.368 -8.317 612 HG2 PRO 77 HG2 PRO 77 3.293 -11.185 -10.048 613 HG3 PRO 77 HG3 PRO 77 3.744 -12.684 -9.220 614 HD2 PRO 77 HD2 PRO 77 1.355 -11.086 -8.885 615 HD3 PRO 77 HD3 PRO 77 1.750 -12.653 -8.157 616 H LEU 78 H LEU 78 5.469 -11.232 -4.961 617 HA LEU 78 HA LEU 78 5.005 -8.849 -3.541 618 HB2 LEU 78 HB2 LEU 78 7.152 -10.933 -3.314 619 HB3 LEU 78 HB3 LEU 78 6.957 -9.617 -2.175 620 HG LEU 78 HG LEU 78 4.552 -10.496 -1.941 621 HD11 LEU 78 HD11 LEU 78 4.342 -12.927 -2.262 622 HD12 LEU 78 HD12 LEU 78 4.567 -12.063 -3.784 623 HD13 LEU 78 HD13 LEU 78 5.916 -12.940 -3.059 624 HD21 LEU 78 HD21 LEU 78 5.247 -12.033 -0.171 625 HD22 LEU 78 HD22 LEU 78 6.880 -12.066 -0.841 626 HD23 LEU 78 HD23 LEU 78 6.230 -10.569 -0.172 627 H SER 79 H SER 79 7.710 -9.762 -5.678 628 HA SER 79 HA SER 79 9.279 -7.504 -5.187 629 HB2 SER 79 HB2 SER 79 10.020 -9.474 -6.525 630 HB3 SER 79 HB3 SER 79 8.984 -8.932 -7.844 631 HG SER 79 HG SER 79 10.881 -8.034 -8.352 632 H ALA 80 H ALA 80 6.560 -7.990 -7.296 633 HA ALA 80 HA ALA 80 6.607 -5.347 -8.418 634 HB1 ALA 80 HB1 ALA 80 4.476 -7.471 -8.554 635 HB2 ALA 80 HB2 ALA 80 4.553 -6.009 -9.538 636 HB3 ALA 80 HB3 ALA 80 5.793 -7.254 -9.706 637 H LEU 81 H LEU 81 5.981 -6.240 -5.379 638 HA LEU 81 HA LEU 81 3.319 -5.312 -4.935 639 HB2 LEU 81 HB2 LEU 81 4.982 -6.923 -3.595 640 HB3 LEU 81 HB3 LEU 81 5.126 -5.486 -2.616 641 HG LEU 81 HG LEU 81 3.470 -6.720 -1.549 642 HD11 LEU 81 HD11 LEU 81 2.649 -4.479 -1.895 643 HD12 LEU 81 HD12 LEU 81 1.964 -4.934 -3.455 644 HD13 LEU 81 HD13 LEU 81 1.315 -5.629 -1.968 645 HD21 LEU 81 HD21 LEU 81 2.322 -7.388 -4.252 646 HD22 LEU 81 HD22 LEU 81 3.262 -8.459 -3.213 647 HD23 LEU 81 HD23 LEU 81 1.670 -7.904 -2.697 648 H GLY 82 H GLY 82 5.375 -3.277 -6.038 649 HA2 GLY 82 HA2 GLY 82 4.948 -0.897 -5.668 650 HA3 GLY 82 HA3 GLY 82 4.681 -1.281 -3.998 651 H MET 83 H MET 83 7.544 -2.352 -5.887 652 HA MET 83 HA MET 83 9.272 -1.267 -3.907 653 HB2 MET 83 HB2 MET 83 11.092 -1.715 -5.571 654 HB3 MET 83 HB3 MET 83 10.068 -3.100 -5.233 655 HG2 MET 83 HG2 MET 83 8.867 -2.741 -7.317 656 HG3 MET 83 HG3 MET 83 9.861 -1.324 -7.655 657 HE1 MET 83 HE1 MET 83 11.141 -3.916 -10.297 658 HE2 MET 83 HE2 MET 83 9.485 -3.784 -9.707 659 HE3 MET 83 HE3 MET 83 10.423 -2.327 -10.037 660 H GLN 84 H GLN 84 8.376 0.760 -3.751 661 HA GLN 84 HA GLN 84 10.212 2.705 -4.657 662 HB2 GLN 84 HB2 GLN 84 8.150 4.286 -5.216 663 HB3 GLN 84 HB3 GLN 84 8.907 3.332 -6.480 664 HG2 GLN 84 HG2 GLN 84 7.138 1.561 -5.905 665 HG3 GLN 84 HG3 GLN 84 6.312 2.876 -5.073 666 HE21 GLN 84 HE21 GLN 84 7.370 1.647 -8.137 667 HE22 GLN 84 HE22 GLN 84 6.400 2.687 -9.124 668 H ASN 85 H ASN 85 9.476 4.813 -3.148 669 HA ASN 85 HA ASN 85 8.922 3.795 -0.601 670 HB2 ASN 85 HB2 ASN 85 8.206 6.061 0.102 671 HB3 ASN 85 HB3 ASN 85 9.691 6.128 -0.836 672 HD21 ASN 85 HD21 ASN 85 8.283 5.810 -3.396 673 HD22 ASN 85 HD22 ASN 85 7.535 7.332 -3.691 674 H GLY 86 H GLY 86 7.316 2.491 -0.256 675 HA2 GLY 86 HA2 GLY 86 5.292 1.571 -0.035 676 HA3 GLY 86 HA3 GLY 86 4.672 3.212 0.087 677 H CYS 87 H CYS 87 5.609 3.603 -2.814 678 HA CYS 87 HA CYS 87 4.655 3.630 -4.868 679 HB2 CYS 87 HB2 CYS 87 4.828 1.109 -4.527 680 HB3 CYS 87 HB3 CYS 87 3.117 1.175 -4.123 681 HG CYS 87 HG CYS 87 4.245 2.396 -7.105 682 H ARG 88 H ARG 88 1.922 2.546 -5.363 683 HA ARG 88 HA ARG 88 0.369 4.460 -3.758 684 HB2 ARG 88 HB2 ARG 88 -0.263 3.807 -6.632 685 HB3 ARG 88 HB3 ARG 88 -0.890 5.123 -5.658 686 HG2 ARG 88 HG2 ARG 88 0.557 6.223 -7.062 687 HG3 ARG 88 HG3 ARG 88 1.587 5.942 -5.658 688 HD2 ARG 88 HD2 ARG 88 2.641 4.070 -6.723 689 HD3 ARG 88 HD3 ARG 88 1.494 4.120 -8.060 690 HE ARG 88 HE ARG 88 3.156 6.479 -7.643 691 HH11 ARG 88 HH11 ARG 88 2.468 3.588 -9.510 692 HH12 ARG 88 HH12 ARG 88 3.583 3.997 -10.779 693 HH21 ARG 88 HH21 ARG 88 4.628 7.003 -9.322 694 HH22 ARG 88 HH22 ARG 88 4.803 5.922 -10.670 695 H VAL 89 H VAL 89 -1.725 3.774 -3.228 696 HA VAL 89 HA VAL 89 -2.818 1.305 -4.297 697 HB VAL 89 HB VAL 89 -3.403 0.520 -1.938 698 HG11 VAL 89 HG11 VAL 89 -0.526 0.347 -2.811 699 HG12 VAL 89 HG12 VAL 89 -1.307 -0.712 -1.636 700 HG13 VAL 89 HG13 VAL 89 -1.844 -0.711 -3.315 701 HG21 VAL 89 HG21 VAL 89 -1.094 2.318 -1.233 702 HG22 VAL 89 HG22 VAL 89 -2.769 2.500 -0.713 703 HG23 VAL 89 HG23 VAL 89 -1.821 1.121 -0.160 704 H MET 90 H MET 90 -4.761 2.030 -4.947 705 HA MET 90 HA MET 90 -6.174 3.595 -2.894 706 HB2 MET 90 HB2 MET 90 -6.545 5.295 -4.167 707 HB3 MET 90 HB3 MET 90 -5.479 4.591 -5.373 708 HG2 MET 90 HG2 MET 90 -7.398 3.531 -6.450 709 HG3 MET 90 HG3 MET 90 -8.462 4.198 -5.213 710 HE1 MET 90 HE1 MET 90 -10.093 5.433 -6.789 711 HE2 MET 90 HE2 MET 90 -9.584 6.379 -8.188 712 HE3 MET 90 HE3 MET 90 -9.265 4.646 -8.133 713 H LEU 91 H LEU 91 -8.052 2.982 -2.276 714 HA LEU 91 HA LEU 91 -9.176 0.709 -3.685 715 HB2 LEU 91 HB2 LEU 91 -10.434 0.162 -1.707 716 HB3 LEU 91 HB3 LEU 91 -8.726 0.193 -1.376 717 HG LEU 91 HG LEU 91 -9.730 1.029 0.565 718 HD11 LEU 91 HD11 LEU 91 -7.889 2.456 -0.093 719 HD12 LEU 91 HD12 LEU 91 -8.970 3.469 -1.050 720 HD13 LEU 91 HD13 LEU 91 -9.141 3.409 0.704 721 HD21 LEU 91 HD21 LEU 91 -11.458 2.789 0.591 722 HD22 LEU 91 HD22 LEU 91 -11.496 2.771 -1.171 723 HD23 LEU 91 HD23 LEU 91 -11.982 1.338 -0.265 724 H ILE 92 H ILE 92 -10.951 0.769 -4.718 725 HA ILE 92 HA ILE 92 -12.405 3.297 -4.640 726 HB ILE 92 HB ILE 92 -12.849 1.074 -6.625 727 HG12 ILE 92 HG12 ILE 92 -10.769 3.266 -6.689 728 HG13 ILE 92 HG13 ILE 92 -10.496 1.536 -6.736 729 HG21 ILE 92 HG21 ILE 92 -14.541 2.811 -6.554 730 HG22 ILE 92 HG22 ILE 92 -13.304 4.055 -6.731 731 HG23 ILE 92 HG23 ILE 92 -13.616 2.928 -8.051 732 HD11 ILE 92 HD11 ILE 92 -10.174 2.515 -8.924 733 HD12 ILE 92 HD12 ILE 92 -11.553 1.416 -8.931 734 HD13 ILE 92 HD13 ILE 92 -11.817 3.158 -8.896 735 H GLY 93 H GLY 93 -13.952 3.262 -3.198 736 HA2 GLY 93 HA2 GLY 93 -16.285 1.865 -3.345 737 HA3 GLY 93 HA3 GLY 93 -15.241 0.822 -2.379 738 H GLU 94 H GLU 94 -14.826 1.323 -0.285 739 HA GLU 94 HA GLU 94 -15.800 3.882 0.718 740 HB2 GLU 94 HB2 GLU 94 -17.698 2.295 0.792 741 HB3 GLU 94 HB3 GLU 94 -16.737 1.217 1.798 742 HG2 GLU 94 HG2 GLU 94 -16.687 2.834 3.571 743 HG3 GLU 94 HG3 GLU 94 -17.477 4.036 2.550 744 H LYS 95 H LYS 95 -14.219 4.693 1.928 745 HA LYS 95 HA LYS 95 -12.527 2.930 3.497 746 HB2 LYS 95 HB2 LYS 95 -12.539 5.862 2.894 747 HB3 LYS 95 HB3 LYS 95 -11.753 5.317 4.365 748 HG2 LYS 95 HG2 LYS 95 -10.379 3.761 2.929 749 HG3 LYS 95 HG3 LYS 95 -11.048 4.596 1.526 750 HD2 LYS 95 HD2 LYS 95 -10.111 6.689 2.269 751 HD3 LYS 95 HD3 LYS 95 -9.562 5.955 3.772 752 HE2 LYS 95 HE2 LYS 95 -7.976 4.558 2.558 753 HE3 LYS 95 HE3 LYS 95 -8.600 5.176 1.017 754 HZ1 LYS 95 HZ1 LYS 95 -6.553 6.290 1.671 755 HZ2 LYS 95 HZ2 LYS 95 -7.276 6.815 3.108 756 HZ3 LYS 95 HZ3 LYS 95 -7.845 7.385 1.619 757 H SER 96 H SER 96 -14.454 2.086 4.556 758 HA SER 96 HA SER 96 -16.278 3.520 6.066 759 HB2 SER 96 HB2 SER 96 -15.253 0.783 6.815 760 HB3 SER 96 HB3 SER 96 -16.875 1.439 7.038 761 HG SER 96 HG SER 96 -17.298 1.194 4.915 762 H ASN 97 H ASN 97 -15.781 4.952 7.586 763 HA ASN 97 HA ASN 97 -14.072 4.099 9.807 764 HB2 ASN 97 HB2 ASN 97 -12.691 5.554 8.376 765 HB3 ASN 97 HB3 ASN 97 -13.924 6.809 8.454 766 HD21 ASN 97 HD21 ASN 97 -11.413 5.146 10.171 767 HD22 ASN 97 HD22 ASN 97 -11.309 6.251 11.493 Start of MODEL 10 1 H1 MET 1 H1 MET 1 8.720 8.991 -11.528 2 H2 MET 1 H2 MET 1 8.363 10.605 -11.163 3 H3 MET 1 H3 MET 1 9.256 10.228 -12.556 4 HB2 MET 1 HB2 MET 1 7.715 7.883 -13.493 5 HB3 MET 1 HB3 MET 1 6.403 8.684 -14.344 6 HG2 MET 1 HG2 MET 1 8.001 10.229 -15.352 7 HG3 MET 1 HG3 MET 1 9.314 9.426 -14.492 8 HE1 MET 1 HE1 MET 1 9.292 9.899 -17.641 9 HE2 MET 1 HE2 MET 1 10.610 9.090 -16.794 10 HE3 MET 1 HE3 MET 1 9.886 8.341 -18.216 11 H ALA 2 H ALA 2 5.410 11.224 -11.638 12 HA ALA 2 HA ALA 2 3.565 10.936 -10.356 13 HB1 ALA 2 HB1 ALA 2 2.369 8.823 -10.315 14 HB2 ALA 2 HB2 ALA 2 2.881 9.206 -11.959 15 HB3 ALA 2 HB3 ALA 2 3.761 7.999 -11.021 16 H LYS 3 H LYS 3 5.639 8.109 -9.789 17 HA LYS 3 HA LYS 3 6.595 9.001 -7.286 18 HB2 LYS 3 HB2 LYS 3 4.266 8.448 -6.615 19 HB3 LYS 3 HB3 LYS 3 4.532 6.800 -7.170 20 HG2 LYS 3 HG2 LYS 3 6.489 6.740 -5.534 21 HG3 LYS 3 HG3 LYS 3 5.783 8.209 -4.845 22 HD2 LYS 3 HD2 LYS 3 3.573 6.782 -4.909 23 HD3 LYS 3 HD3 LYS 3 4.713 5.431 -4.903 24 HE2 LYS 3 HE2 LYS 3 3.974 6.020 -2.660 25 HE3 LYS 3 HE3 LYS 3 5.708 6.231 -2.870 26 HZ1 LYS 3 HZ1 LYS 3 5.440 8.584 -3.006 27 HZ2 LYS 3 HZ2 LYS 3 4.585 8.060 -1.644 28 HZ3 LYS 3 HZ3 LYS 3 3.753 8.464 -3.061 29 H THR 4 H THR 4 8.563 8.094 -7.291 30 HA THR 4 HA THR 4 9.010 5.354 -7.986 31 HB THR 4 HB THR 4 10.585 6.239 -9.977 32 HG1 THR 4 HG1 THR 4 9.006 8.330 -9.417 33 HG21 THR 4 HG21 THR 4 8.908 4.471 -10.217 34 HG22 THR 4 HG22 THR 4 8.849 5.587 -11.582 35 HG23 THR 4 HG23 THR 4 7.631 5.686 -10.310 36 H GLU 5 H GLU 5 10.770 8.442 -8.368 37 HA GLU 5 HA GLU 5 13.246 7.265 -7.494 38 HB2 GLU 5 HB2 GLU 5 12.993 9.015 -9.300 39 HB3 GLU 5 HB3 GLU 5 12.626 10.174 -8.033 40 HG2 GLU 5 HG2 GLU 5 14.889 10.477 -8.558 41 HG3 GLU 5 HG3 GLU 5 14.864 9.602 -7.028 42 H GLU 6 H GLU 6 11.928 6.777 -5.368 43 HA GLU 6 HA GLU 6 12.344 9.007 -3.483 44 HB2 GLU 6 HB2 GLU 6 10.083 7.021 -3.378 45 HB3 GLU 6 HB3 GLU 6 10.310 8.406 -2.338 46 HG2 GLU 6 HG2 GLU 6 9.662 8.465 -5.275 47 HG3 GLU 6 HG3 GLU 6 8.547 8.784 -3.948 48 H MET 7 H MET 7 10.844 6.191 -2.377 49 HA MET 7 HA MET 7 11.349 4.561 -0.935 50 HB2 MET 7 HB2 MET 7 13.610 4.543 -2.796 51 HB3 MET 7 HB3 MET 7 13.953 3.797 -1.237 52 HG2 MET 7 HG2 MET 7 12.007 2.354 -1.501 53 HG3 MET 7 HG3 MET 7 11.679 3.083 -3.076 54 HE1 MET 7 HE1 MET 7 15.064 1.950 -1.335 55 HE2 MET 7 HE2 MET 7 13.877 0.698 -0.973 56 HE3 MET 7 HE3 MET 7 15.234 0.342 -2.041 57 H VAL 8 H VAL 8 11.568 7.126 0.147 58 HA VAL 8 HA VAL 8 12.751 6.341 2.618 59 HB VAL 8 HB VAL 8 14.057 8.678 2.699 60 HG11 VAL 8 HG11 VAL 8 15.250 6.124 1.636 61 HG12 VAL 8 HG12 VAL 8 16.150 7.461 2.350 62 HG13 VAL 8 HG13 VAL 8 15.010 6.542 3.333 63 HG21 VAL 8 HG21 VAL 8 14.398 7.797 -0.165 64 HG22 VAL 8 HG22 VAL 8 13.638 9.289 0.390 65 HG23 VAL 8 HG23 VAL 8 15.362 9.029 0.652 66 H GLN 9 H GLN 9 10.250 6.729 2.554 67 HA GLN 9 HA GLN 9 9.811 9.567 3.265 68 HB2 GLN 9 HB2 GLN 9 8.111 7.639 1.755 69 HB3 GLN 9 HB3 GLN 9 7.329 8.901 2.697 70 HG2 GLN 9 HG2 GLN 9 7.608 9.584 0.387 71 HG3 GLN 9 HG3 GLN 9 8.558 10.608 1.461 72 HE21 GLN 9 HE21 GLN 9 10.063 11.264 0.016 73 HE22 GLN 9 HE22 GLN 9 11.196 10.205 -0.761 74 H THR 10 H THR 10 8.329 6.356 3.995 75 HA THR 10 HA THR 10 8.093 7.297 6.784 76 HB THR 10 HB THR 10 6.278 5.284 5.431 77 HG1 THR 10 HG1 THR 10 4.738 7.125 5.657 78 HG21 THR 10 HG21 THR 10 6.464 5.002 7.858 79 HG22 THR 10 HG22 THR 10 4.869 5.613 7.416 80 HG23 THR 10 HG23 THR 10 6.074 6.707 8.095 81 H GLU 11 H GLU 11 9.722 6.367 7.876 82 HA GLU 11 HA GLU 11 10.763 3.793 7.107 83 HB2 GLU 11 HB2 GLU 11 12.158 5.757 7.861 84 HB3 GLU 11 HB3 GLU 11 11.580 5.437 9.490 85 HG2 GLU 11 HG2 GLU 11 12.588 3.256 9.480 86 HG3 GLU 11 HG3 GLU 11 13.065 3.447 7.793 87 H GLU 12 H GLU 12 11.139 2.075 8.528 88 HA GLU 12 HA GLU 12 9.721 1.721 10.991 89 HB2 GLU 12 HB2 GLU 12 7.902 1.329 9.357 90 HB3 GLU 12 HB3 GLU 12 8.897 0.155 8.520 91 HG2 GLU 12 HG2 GLU 12 7.147 -0.857 9.910 92 HG3 GLU 12 HG3 GLU 12 8.770 -1.356 10.377 93 H MET 13 H MET 13 10.075 -0.927 11.427 94 HA MET 13 HA MET 13 12.832 -1.008 11.775 95 HB2 MET 13 HB2 MET 13 10.802 -3.202 12.002 96 HB3 MET 13 HB3 MET 13 12.494 -3.379 12.456 97 HG2 MET 13 HG2 MET 13 10.493 -1.475 13.639 98 HG3 MET 13 HG3 MET 13 11.222 -2.883 14.416 99 HE1 MET 13 HE1 MET 13 12.726 0.299 16.264 100 HE2 MET 13 HE2 MET 13 11.120 0.164 15.549 101 HE3 MET 13 HE3 MET 13 11.785 -1.178 16.481 102 H GLU 14 H GLU 14 10.945 -2.727 9.217 103 HA GLU 14 HA GLU 14 13.581 -3.432 8.115 104 HB2 GLU 14 HB2 GLU 14 12.285 -5.393 8.296 105 HB3 GLU 14 HB3 GLU 14 10.848 -4.601 7.670 106 HG2 GLU 14 HG2 GLU 14 13.116 -4.654 5.803 107 HG3 GLU 14 HG3 GLU 14 12.467 -6.235 6.228 108 H THR 15 H THR 15 10.909 -1.343 7.604 109 HA THR 15 HA THR 15 10.966 -1.337 4.764 110 HB THR 15 HB THR 15 9.468 0.545 4.827 111 HG1 THR 15 HG1 THR 15 9.016 1.395 7.063 112 HG21 THR 15 HG21 THR 15 8.495 -1.603 5.455 113 HG22 THR 15 HG22 THR 15 7.713 -0.282 6.323 114 HG23 THR 15 HG23 THR 15 8.895 -1.301 7.147 115 HA PRO 16 HA PRO 16 14.352 1.389 4.257 116 HB2 PRO 16 HB2 PRO 16 14.228 1.727 1.615 117 HB3 PRO 16 HB3 PRO 16 14.565 0.138 2.318 118 HG2 PRO 16 HG2 PRO 16 12.091 1.150 1.049 119 HG3 PRO 16 HG3 PRO 16 12.733 -0.500 1.123 120 HD2 PRO 16 HD2 PRO 16 10.706 0.654 2.776 121 HD3 PRO 16 HD3 PRO 16 11.457 -0.955 2.937 122 H ARG 17 H ARG 17 12.105 2.513 5.352 123 HA ARG 17 HA ARG 17 10.773 4.317 5.587 124 HB2 ARG 17 HB2 ARG 17 13.225 5.303 5.299 125 HB3 ARG 17 HB3 ARG 17 12.550 5.937 3.803 126 HG2 ARG 17 HG2 ARG 17 10.834 7.105 5.029 127 HG3 ARG 17 HG3 ARG 17 11.398 6.398 6.542 128 HD2 ARG 17 HD2 ARG 17 13.599 7.519 6.131 129 HD3 ARG 17 HD3 ARG 17 12.842 8.352 4.770 130 HE ARG 17 HE ARG 17 11.229 9.243 6.480 131 HH11 ARG 17 HH11 ARG 17 14.485 8.293 7.359 132 HH12 ARG 17 HH12 ARG 17 14.547 9.338 8.751 133 HH21 ARG 17 HH21 ARG 17 11.316 10.623 8.310 134 HH22 ARG 17 HH22 ARG 17 12.754 10.658 9.282 135 H LEU 18 H LEU 18 9.291 3.036 4.254 136 HA LEU 18 HA LEU 18 8.937 4.237 1.588 137 HB2 LEU 18 HB2 LEU 18 8.986 1.485 2.488 138 HB3 LEU 18 HB3 LEU 18 7.550 1.898 1.589 139 HG LEU 18 HG LEU 18 8.767 2.486 -0.342 140 HD11 LEU 18 HD11 LEU 18 11.214 2.491 -0.414 141 HD12 LEU 18 HD12 LEU 18 10.575 3.697 0.703 142 HD13 LEU 18 HD13 LEU 18 11.254 2.194 1.325 143 HD21 LEU 18 HD21 LEU 18 8.442 0.099 -0.016 144 HD22 LEU 18 HD22 LEU 18 9.955 0.422 -0.862 145 HD23 LEU 18 HD23 LEU 18 9.976 -0.002 0.850 146 H SER 19 H SER 19 7.213 5.383 1.293 147 HA SER 19 HA SER 19 4.827 4.927 2.928 148 HB2 SER 19 HB2 SER 19 5.544 6.988 3.654 149 HB3 SER 19 HB3 SER 19 6.230 7.415 2.076 150 HG SER 19 HG SER 19 3.909 8.161 3.026 151 H VAL 20 H VAL 20 3.050 4.514 1.900 152 HA VAL 20 HA VAL 20 2.955 4.701 -1.024 153 HB VAL 20 HB VAL 20 2.629 2.463 0.068 154 HG11 VAL 20 HG11 VAL 20 1.443 3.191 2.042 155 HG12 VAL 20 HG12 VAL 20 0.093 3.744 1.051 156 HG13 VAL 20 HG13 VAL 20 0.473 2.025 1.142 157 HG21 VAL 20 HG21 VAL 20 1.751 2.881 -2.165 158 HG22 VAL 20 HG22 VAL 20 0.683 1.814 -1.255 159 HG23 VAL 20 HG23 VAL 20 0.260 3.513 -1.468 160 H ILE 21 H ILE 21 1.061 5.396 -2.031 161 HA ILE 21 HA ILE 21 -0.496 7.438 -0.580 162 HB ILE 21 HB ILE 21 -0.804 6.769 -3.481 163 HG12 ILE 21 HG12 ILE 21 1.379 8.584 -2.480 164 HG13 ILE 21 HG13 ILE 21 1.668 6.873 -2.822 165 HG21 ILE 21 HG21 ILE 21 -2.260 8.438 -2.467 166 HG22 ILE 21 HG22 ILE 21 -0.851 9.356 -1.935 167 HG23 ILE 21 HG23 ILE 21 -1.188 9.177 -3.657 168 HD11 ILE 21 HD11 ILE 21 0.932 7.261 -5.142 169 HD12 ILE 21 HD12 ILE 21 0.712 8.972 -4.772 170 HD13 ILE 21 HD13 ILE 21 2.323 8.254 -4.704 171 H VAL 22 H VAL 22 -2.215 6.623 0.426 172 HA VAL 22 HA VAL 22 -3.820 4.636 -1.010 173 HB VAL 22 HB VAL 22 -4.134 5.400 1.888 174 HG11 VAL 22 HG11 VAL 22 -5.338 3.266 1.999 175 HG12 VAL 22 HG12 VAL 22 -6.074 4.389 0.854 176 HG13 VAL 22 HG13 VAL 22 -5.090 3.048 0.266 177 HG21 VAL 22 HG21 VAL 22 -2.906 3.352 2.434 178 HG22 VAL 22 HG22 VAL 22 -2.566 3.097 0.720 179 HG23 VAL 22 HG23 VAL 22 -1.891 4.495 1.556 180 H THR 23 H THR 23 -5.579 5.321 -1.936 181 HA THR 23 HA THR 23 -6.730 7.846 -1.013 182 HB THR 23 HB THR 23 -5.725 7.136 -3.737 183 HG1 THR 23 HG1 THR 23 -5.420 9.197 -1.860 184 HG21 THR 23 HG21 THR 23 -7.801 9.274 -3.190 185 HG22 THR 23 HG22 THR 23 -8.095 7.776 -4.074 186 HG23 THR 23 HG23 THR 23 -6.987 8.982 -4.728 187 H HIS 24 H HIS 24 -8.855 7.915 -0.888 188 HA HIS 24 HA HIS 24 -10.472 5.936 -2.355 189 HB2 HIS 24 HB2 HIS 24 -10.658 5.315 -0.069 190 HB3 HIS 24 HB3 HIS 24 -10.707 6.986 0.468 191 HD1 HIS 24 HD1 HIS 24 -12.919 7.593 1.321 192 HD2 HIS 24 HD2 HIS 24 -13.177 4.824 -1.777 193 HE1 HIS 24 HE1 HIS 24 -15.375 7.114 1.034 194 HE2 HIS 24 HE2 HIS 24 -15.506 5.661 -1.022 195 H SER 25 H SER 25 -11.378 7.027 -3.951 196 HA SER 25 HA SER 25 -12.377 8.633 -5.210 197 HB2 SER 25 HB2 SER 25 -14.081 8.665 -3.410 198 HB3 SER 25 HB3 SER 25 -13.150 9.904 -2.570 199 HG SER 25 HG SER 25 -14.138 11.302 -3.772 200 H ASN 26 H ASN 26 -10.681 10.044 -2.450 201 HA ASN 26 HA ASN 26 -8.804 11.487 -4.005 202 HB2 ASN 26 HB2 ASN 26 -10.867 12.912 -4.339 203 HB3 ASN 26 HB3 ASN 26 -10.887 13.188 -2.602 204 HD21 ASN 26 HD21 ASN 26 -9.311 13.885 -5.599 205 HD22 ASN 26 HD22 ASN 26 -8.319 15.174 -5.013 206 H GLU 27 H GLU 27 -10.548 10.913 -1.089 207 HA GLU 27 HA GLU 27 -9.079 11.831 0.983 208 HB2 GLU 27 HB2 GLU 27 -11.115 10.592 1.194 209 HB3 GLU 27 HB3 GLU 27 -10.358 9.134 0.587 210 HG2 GLU 27 HG2 GLU 27 -8.926 9.116 2.612 211 HG3 GLU 27 HG3 GLU 27 -9.844 10.498 3.217 212 H ARG 28 H ARG 28 -6.938 11.863 1.183 213 HA ARG 28 HA ARG 28 -5.380 9.535 0.292 214 HB2 ARG 28 HB2 ARG 28 -4.409 11.178 -0.927 215 HB3 ARG 28 HB3 ARG 28 -4.975 12.448 0.139 216 HG2 ARG 28 HG2 ARG 28 -2.652 12.560 0.255 217 HG3 ARG 28 HG3 ARG 28 -3.124 11.726 1.731 218 HD2 ARG 28 HD2 ARG 28 -2.442 9.603 0.822 219 HD3 ARG 28 HD3 ARG 28 -2.177 10.316 -0.769 220 HE ARG 28 HE ARG 28 -0.489 11.764 0.656 221 HH11 ARG 28 HH11 ARG 28 -1.094 8.335 0.851 222 HH12 ARG 28 HH12 ARG 28 0.533 7.929 1.283 223 HH21 ARG 28 HH21 ARG 28 1.659 11.255 1.239 224 HH22 ARG 28 HH22 ARG 28 2.090 9.601 1.563 225 H TYR 29 H TYR 29 -4.471 8.322 1.730 226 HA TYR 29 HA TYR 29 -3.657 9.491 4.304 227 HB2 TYR 29 HB2 TYR 29 -4.925 6.844 3.700 228 HB3 TYR 29 HB3 TYR 29 -3.856 7.012 5.087 229 HD1 TYR 29 HD1 TYR 29 -7.006 8.195 3.578 230 HD2 TYR 29 HD2 TYR 29 -4.592 8.081 7.079 231 HE1 TYR 29 HE1 TYR 29 -8.883 9.081 4.892 232 HE2 TYR 29 HE2 TYR 29 -6.463 8.971 8.401 233 HH TYR 29 HH TYR 29 -8.492 10.215 8.115 234 H ASP 30 H ASP 30 -1.598 9.228 4.857 235 HA ASP 30 HA ASP 30 0.255 7.953 3.037 236 HB2 ASP 30 HB2 ASP 30 0.772 10.045 4.319 237 HB3 ASP 30 HB3 ASP 30 0.682 9.124 5.813 238 H LEU 31 H LEU 31 0.741 5.860 3.111 239 HA LEU 31 HA LEU 31 0.399 4.388 5.642 240 HB2 LEU 31 HB2 LEU 31 -1.249 4.128 3.442 241 HB3 LEU 31 HB3 LEU 31 -0.091 2.837 3.201 242 HG LEU 31 HG LEU 31 -2.236 2.216 4.395 243 HD11 LEU 31 HD11 LEU 31 0.395 1.758 5.841 244 HD12 LEU 31 HD12 LEU 31 -1.076 0.804 6.045 245 HD13 LEU 31 HD13 LEU 31 -0.236 0.807 4.495 246 HD21 LEU 31 HD21 LEU 31 -2.409 4.219 5.782 247 HD22 LEU 31 HD22 LEU 31 -2.321 2.777 6.792 248 HD23 LEU 31 HD23 LEU 31 -0.904 3.812 6.607 249 H LEU 32 H LEU 32 1.795 2.402 5.731 250 HA LEU 32 HA LEU 32 4.226 2.993 4.188 251 HB2 LEU 32 HB2 LEU 32 5.020 3.568 6.195 252 HB3 LEU 32 HB3 LEU 32 3.754 2.692 7.058 253 HG LEU 32 HG LEU 32 5.974 1.121 5.811 254 HD11 LEU 32 HD11 LEU 32 6.180 2.695 8.372 255 HD12 LEU 32 HD12 LEU 32 7.318 1.461 7.835 256 HD13 LEU 32 HD13 LEU 32 7.131 2.948 6.908 257 HD21 LEU 32 HD21 LEU 32 5.612 -0.286 7.769 258 HD22 LEU 32 HD22 LEU 32 4.442 0.872 8.403 259 HD23 LEU 32 HD23 LEU 32 4.091 -0.012 6.918 260 H VAL 33 H VAL 33 5.424 1.369 3.376 261 HA VAL 33 HA VAL 33 4.014 -0.902 2.502 262 HB VAL 33 HB VAL 33 6.507 0.384 1.850 263 HG11 VAL 33 HG11 VAL 33 6.753 -2.611 2.103 264 HG12 VAL 33 HG12 VAL 33 7.901 -1.540 1.303 265 HG13 VAL 33 HG13 VAL 33 7.643 -1.414 3.042 266 HG21 VAL 33 HG21 VAL 33 4.942 -1.788 0.470 267 HG22 VAL 33 HG22 VAL 33 4.682 -0.050 0.312 268 HG23 VAL 33 HG23 VAL 33 6.181 -0.774 -0.270 269 H THR 34 H THR 34 4.580 -3.188 2.849 270 HA THR 34 HA THR 34 4.564 -3.483 5.721 271 HB THR 34 HB THR 34 4.129 -5.614 3.633 272 HG1 THR 34 HG1 THR 34 2.724 -3.616 3.592 273 HG21 THR 34 HG21 THR 34 2.834 -6.717 5.394 274 HG22 THR 34 HG22 THR 34 3.214 -5.402 6.506 275 HG23 THR 34 HG23 THR 34 4.499 -6.452 5.910 276 HA PRO 35 HA PRO 35 8.848 -4.618 5.811 277 HB2 PRO 35 HB2 PRO 35 9.005 -4.802 8.504 278 HB3 PRO 35 HB3 PRO 35 8.961 -3.255 7.656 279 HG2 PRO 35 HG2 PRO 35 6.746 -4.719 9.039 280 HG3 PRO 35 HG3 PRO 35 7.133 -2.987 9.066 281 HD2 PRO 35 HD2 PRO 35 5.173 -4.036 7.513 282 HD3 PRO 35 HD3 PRO 35 6.101 -2.596 7.053 283 H GLN 36 H GLN 36 10.126 -6.342 6.513 284 HA GLN 36 HA GLN 36 10.694 -8.419 7.284 285 HB2 GLN 36 HB2 GLN 36 7.730 -8.887 7.636 286 HB3 GLN 36 HB3 GLN 36 8.956 -10.113 7.923 287 HG2 GLN 36 HG2 GLN 36 8.676 -7.498 9.390 288 HG3 GLN 36 HG3 GLN 36 8.253 -9.096 10.003 289 HE21 GLN 36 HE21 GLN 36 10.807 -6.882 9.309 290 HE22 GLN 36 HE22 GLN 36 12.080 -7.785 10.050 291 H GLN 37 H GLN 37 10.152 -7.416 4.641 292 HA GLN 37 HA GLN 37 9.824 -9.994 3.238 293 HB2 GLN 37 HB2 GLN 37 8.485 -7.537 2.791 294 HB3 GLN 37 HB3 GLN 37 9.651 -7.728 1.491 295 HG2 GLN 37 HG2 GLN 37 7.340 -9.492 2.172 296 HG3 GLN 37 HG3 GLN 37 7.748 -8.729 0.628 297 HE21 GLN 37 HE21 GLN 37 8.292 -11.445 2.723 298 HE22 GLN 37 HE22 GLN 37 9.232 -12.369 1.601 299 H GLY 38 H GLY 38 11.561 -6.955 3.454 300 HA2 GLY 38 HA2 GLY 38 14.035 -7.438 2.618 301 HA3 GLY 38 HA3 GLY 38 13.166 -7.596 1.092 302 H ASN 39 H ASN 39 11.343 -5.501 2.619 303 HA ASN 39 HA ASN 39 11.008 -3.336 2.842 304 HB2 ASN 39 HB2 ASN 39 12.677 -1.726 3.179 305 HB3 ASN 39 HB3 ASN 39 13.285 -3.225 3.880 306 HD21 ASN 39 HD21 ASN 39 15.406 -2.703 3.823 307 HD22 ASN 39 HD22 ASN 39 16.313 -2.465 2.365 308 H SER 40 H SER 40 12.670 -4.461 0.040 309 HA SER 40 HA SER 40 11.641 -2.191 -1.469 310 HB2 SER 40 HB2 SER 40 13.359 -4.502 -2.390 311 HB3 SER 40 HB3 SER 40 12.997 -3.021 -3.303 312 HG SER 40 HG SER 40 14.073 -2.679 -0.758 313 H GLU 41 H GLU 41 10.941 -5.514 -0.790 314 HA GLU 41 HA GLU 41 8.963 -5.473 -2.955 315 HB2 GLU 41 HB2 GLU 41 9.443 -7.940 -3.308 316 HB3 GLU 41 HB3 GLU 41 10.648 -6.818 -3.913 317 HG2 GLU 41 HG2 GLU 41 10.912 -8.186 -1.252 318 HG3 GLU 41 HG3 GLU 41 11.484 -8.909 -2.753 319 HA PRO 42 HA PRO 42 7.005 -6.144 1.129 320 HB2 PRO 42 HB2 PRO 42 4.694 -5.157 -0.431 321 HB3 PRO 42 HB3 PRO 42 5.326 -4.603 1.123 322 HG2 PRO 42 HG2 PRO 42 5.668 -3.160 -1.083 323 HG3 PRO 42 HG3 PRO 42 6.947 -3.279 0.141 324 HD2 PRO 42 HD2 PRO 42 6.706 -4.676 -2.495 325 HD3 PRO 42 HD3 PRO 42 8.139 -3.961 -1.722 326 H VAL 43 H VAL 43 5.045 -7.345 1.780 327 HA VAL 43 HA VAL 43 5.057 -9.859 0.406 328 HB VAL 43 HB VAL 43 3.580 -10.649 2.181 329 HG11 VAL 43 HG11 VAL 43 5.089 -10.302 4.087 330 HG12 VAL 43 HG12 VAL 43 5.960 -10.669 2.598 331 HG13 VAL 43 HG13 VAL 43 5.894 -9.011 3.193 332 HG21 VAL 43 HG21 VAL 43 2.934 -9.166 4.031 333 HG22 VAL 43 HG22 VAL 43 3.603 -7.793 3.147 334 HG23 VAL 43 HG23 VAL 43 2.215 -8.667 2.500 335 H VAL 44 H VAL 44 2.963 -11.052 -0.036 336 HA VAL 44 HA VAL 44 1.504 -9.807 -2.050 337 HB VAL 44 HB VAL 44 -0.226 -11.626 -1.616 338 HG11 VAL 44 HG11 VAL 44 2.655 -12.417 -2.015 339 HG12 VAL 44 HG12 VAL 44 1.250 -13.380 -2.471 340 HG13 VAL 44 HG13 VAL 44 1.557 -11.835 -3.267 341 HG21 VAL 44 HG21 VAL 44 0.209 -11.948 0.761 342 HG22 VAL 44 HG22 VAL 44 0.483 -13.446 -0.128 343 HG23 VAL 44 HG23 VAL 44 1.853 -12.470 0.401 344 H GLN 45 H GLN 45 0.998 -9.806 1.360 345 HA GLN 45 HA GLN 45 -1.686 -9.015 1.445 346 HB2 GLN 45 HB2 GLN 45 -1.127 -9.960 3.404 347 HB3 GLN 45 HB3 GLN 45 0.556 -9.461 3.283 348 HG2 GLN 45 HG2 GLN 45 0.084 -7.337 4.070 349 HG3 GLN 45 HG3 GLN 45 -1.653 -7.580 3.911 350 HE21 GLN 45 HE21 GLN 45 -1.507 -10.293 4.998 351 HE22 GLN 45 HE22 GLN 45 -1.298 -10.108 6.708 352 H ASP 46 H ASP 46 1.262 -7.243 0.928 353 HA ASP 46 HA ASP 46 0.843 -4.977 2.498 354 HB2 ASP 46 HB2 ASP 46 3.013 -5.320 1.684 355 HB3 ASP 46 HB3 ASP 46 2.461 -5.511 0.033 356 H LEU 47 H LEU 47 -0.022 -5.452 -0.930 357 HA LEU 47 HA LEU 47 -0.738 -2.827 -1.406 358 HB2 LEU 47 HB2 LEU 47 -1.473 -3.589 -3.411 359 HB3 LEU 47 HB3 LEU 47 -0.435 -4.903 -2.957 360 HG LEU 47 HG LEU 47 -3.400 -4.978 -2.466 361 HD11 LEU 47 HD11 LEU 47 -1.852 -5.950 -4.848 362 HD12 LEU 47 HD12 LEU 47 -3.546 -6.302 -4.507 363 HD13 LEU 47 HD13 LEU 47 -3.038 -4.645 -4.826 364 HD21 LEU 47 HD21 LEU 47 -2.046 -6.566 -1.195 365 HD22 LEU 47 HD22 LEU 47 -3.026 -7.387 -2.411 366 HD23 LEU 47 HD23 LEU 47 -1.303 -7.133 -2.692 367 H ALA 48 H ALA 48 -2.575 -5.561 -0.175 368 HA ALA 48 HA ALA 48 -5.069 -4.219 0.095 369 HB1 ALA 48 HB1 ALA 48 -4.866 -6.670 -0.029 370 HB2 ALA 48 HB2 ALA 48 -4.037 -6.669 1.528 371 HB3 ALA 48 HB3 ALA 48 -5.719 -6.150 1.423 372 H GLN 49 H GLN 49 -2.282 -4.755 2.102 373 HA GLN 49 HA GLN 49 -3.324 -4.092 4.598 374 HB2 GLN 49 HB2 GLN 49 -1.230 -5.210 4.500 375 HB3 GLN 49 HB3 GLN 49 -0.549 -4.019 3.423 376 HG2 GLN 49 HG2 GLN 49 0.473 -3.505 5.384 377 HG3 GLN 49 HG3 GLN 49 -0.885 -2.387 5.372 378 HE21 GLN 49 HE21 GLN 49 -2.636 -2.737 6.761 379 HE22 GLN 49 HE22 GLN 49 -2.507 -3.774 8.144 380 H LEU 50 H LEU 50 -1.552 -2.254 2.256 381 HA LEU 50 HA LEU 50 -1.303 0.149 3.633 382 HB2 LEU 50 HB2 LEU 50 -1.618 -0.355 0.677 383 HB3 LEU 50 HB3 LEU 50 -0.979 1.116 1.387 384 HG LEU 50 HG LEU 50 0.345 -1.588 1.683 385 HD11 LEU 50 HD11 LEU 50 1.976 -0.777 0.088 386 HD12 LEU 50 HD12 LEU 50 0.371 -0.830 -0.640 387 HD13 LEU 50 HD13 LEU 50 1.052 0.711 -0.124 388 HD21 LEU 50 HD21 LEU 50 1.307 1.176 2.338 389 HD22 LEU 50 HD22 LEU 50 0.795 -0.045 3.503 390 HD23 LEU 50 HD23 LEU 50 2.221 -0.323 2.508 391 H VAL 51 H VAL 51 -3.733 -0.785 1.233 392 HA VAL 51 HA VAL 51 -5.300 1.568 1.386 393 HB VAL 51 HB VAL 51 -5.129 -0.549 -0.225 394 HG11 VAL 51 HG11 VAL 51 -7.282 -1.710 -0.262 395 HG12 VAL 51 HG12 VAL 51 -6.346 -2.066 1.191 396 HG13 VAL 51 HG13 VAL 51 -7.700 -0.938 1.268 397 HG21 VAL 51 HG21 VAL 51 -5.874 1.628 -0.822 398 HG22 VAL 51 HG22 VAL 51 -7.037 0.433 -1.393 399 HG23 VAL 51 HG23 VAL 51 -7.389 1.385 0.048 400 H GLU 52 H GLU 52 -5.280 -1.477 3.154 401 HA GLU 52 HA GLU 52 -7.775 -1.106 4.464 402 HB2 GLU 52 HB2 GLU 52 -6.976 -3.332 4.261 403 HB3 GLU 52 HB3 GLU 52 -5.410 -2.918 4.942 404 HG2 GLU 52 HG2 GLU 52 -6.414 -2.597 7.122 405 HG3 GLU 52 HG3 GLU 52 -8.013 -2.925 6.454 406 H GLU 53 H GLU 53 -4.374 -0.629 5.447 407 HA GLU 53 HA GLU 53 -5.057 -0.046 8.158 408 HB2 GLU 53 HB2 GLU 53 -2.889 -0.989 7.688 409 HB3 GLU 53 HB3 GLU 53 -2.486 0.347 6.618 410 HG2 GLU 53 HG2 GLU 53 -2.383 1.876 8.451 411 HG3 GLU 53 HG3 GLU 53 -3.002 0.658 9.567 412 H ALA 54 H ALA 54 -4.671 1.844 5.274 413 HA ALA 54 HA ALA 54 -4.202 4.353 6.380 414 HB1 ALA 54 HB1 ALA 54 -5.875 3.755 3.953 415 HB2 ALA 54 HB2 ALA 54 -5.061 5.272 4.327 416 HB3 ALA 54 HB3 ALA 54 -4.113 3.827 3.976 417 H THR 55 H THR 55 -7.215 2.551 6.091 418 HA THR 55 HA THR 55 -8.530 4.768 7.516 419 HB THR 55 HB THR 55 -9.577 4.431 5.394 420 HG1 THR 55 HG1 THR 55 -10.915 3.799 7.728 421 HG21 THR 55 HG21 THR 55 -9.913 1.535 6.175 422 HG22 THR 55 HG22 THR 55 -8.811 2.158 4.947 423 HG23 THR 55 HG23 THR 55 -10.554 2.296 4.718 424 H GLY 56 H GLY 56 -7.367 1.620 7.894 425 HA2 GLY 56 HA2 GLY 56 -7.475 0.195 9.716 426 HA3 GLY 56 HA3 GLY 56 -8.574 1.328 10.493 427 H VAL 57 H VAL 57 -9.323 0.332 7.322 428 HA VAL 57 HA VAL 57 -11.680 -1.075 8.350 429 HB VAL 57 HB VAL 57 -11.204 0.555 5.856 430 HG11 VAL 57 HG11 VAL 57 -13.668 -1.031 6.546 431 HG12 VAL 57 HG12 VAL 57 -13.517 0.119 5.218 432 HG13 VAL 57 HG13 VAL 57 -12.561 -1.363 5.214 433 HG21 VAL 57 HG21 VAL 57 -11.650 1.805 7.876 434 HG22 VAL 57 HG22 VAL 57 -13.023 1.911 6.774 435 HG23 VAL 57 HG23 VAL 57 -13.098 0.844 8.176 436 HA PRO 58 HA PRO 58 -10.272 -4.926 6.770 437 HB2 PRO 58 HB2 PRO 58 -12.638 -6.114 6.241 438 HB3 PRO 58 HB3 PRO 58 -12.084 -5.798 7.896 439 HG2 PRO 58 HG2 PRO 58 -13.860 -4.073 6.166 440 HG3 PRO 58 HG3 PRO 58 -14.202 -4.705 7.803 441 HD2 PRO 58 HD2 PRO 58 -13.285 -2.254 7.551 442 HD3 PRO 58 HD3 PRO 58 -12.548 -3.316 8.780 443 H LEU 59 H LEU 59 -10.038 -6.154 4.997 444 HA LEU 59 HA LEU 59 -9.738 -5.016 2.554 445 HB2 LEU 59 HB2 LEU 59 -10.300 -7.933 3.034 446 HB3 LEU 59 HB3 LEU 59 -9.458 -7.244 1.659 447 HG LEU 59 HG LEU 59 -8.496 -7.313 4.518 448 HD11 LEU 59 HD11 LEU 59 -6.708 -8.696 3.602 449 HD12 LEU 59 HD12 LEU 59 -8.289 -9.424 3.324 450 HD13 LEU 59 HD13 LEU 59 -7.450 -8.607 2.006 451 HD21 LEU 59 HD21 LEU 59 -6.451 -6.256 3.673 452 HD22 LEU 59 HD22 LEU 59 -7.218 -6.048 2.098 453 HD23 LEU 59 HD23 LEU 59 -7.856 -5.202 3.508 454 HA PRO 60 HA PRO 60 -13.858 -6.960 0.896 455 HB2 PRO 60 HB2 PRO 60 -15.680 -6.891 3.193 456 HB3 PRO 60 HB3 PRO 60 -15.381 -8.186 2.031 457 HG2 PRO 60 HG2 PRO 60 -14.538 -8.350 4.552 458 HG3 PRO 60 HG3 PRO 60 -13.587 -9.019 3.217 459 HD2 PRO 60 HD2 PRO 60 -13.236 -6.436 4.697 460 HD3 PRO 60 HD3 PRO 60 -12.005 -7.617 4.216 461 H PHE 61 H PHE 61 -13.563 -4.366 3.125 462 HA PHE 61 HA PHE 61 -15.942 -2.998 2.163 463 HB2 PHE 61 HB2 PHE 61 -14.091 -2.715 4.414 464 HB3 PHE 61 HB3 PHE 61 -14.677 -1.198 3.743 465 HD1 PHE 61 HD1 PHE 61 -17.142 -0.786 3.647 466 HD2 PHE 61 HD2 PHE 61 -15.466 -4.100 5.721 467 HE1 PHE 61 HE1 PHE 61 -19.243 -1.064 4.894 468 HE2 PHE 61 HE2 PHE 61 -17.565 -4.383 6.972 469 HZ PHE 61 HZ PHE 61 -19.460 -2.871 6.551 470 H GLN 62 H GLN 62 -12.576 -3.095 1.466 471 HA GLN 62 HA GLN 62 -12.938 -0.669 -0.143 472 HB2 GLN 62 HB2 GLN 62 -10.484 -0.409 -0.122 473 HB3 GLN 62 HB3 GLN 62 -11.188 -0.214 1.456 474 HG2 GLN 62 HG2 GLN 62 -10.482 -2.941 1.155 475 HG3 GLN 62 HG3 GLN 62 -9.118 -1.960 0.607 476 HE21 GLN 62 HE21 GLN 62 -9.374 -3.618 2.973 477 HE22 GLN 62 HE22 GLN 62 -9.103 -2.580 4.329 478 H LYS 63 H LYS 63 -12.532 -0.781 -2.301 479 HA LYS 63 HA LYS 63 -11.452 -3.306 -3.319 480 HB2 LYS 63 HB2 LYS 63 -13.618 -2.504 -4.280 481 HB3 LYS 63 HB3 LYS 63 -12.790 -1.066 -4.862 482 HG2 LYS 63 HG2 LYS 63 -11.405 -2.398 -6.316 483 HG3 LYS 63 HG3 LYS 63 -12.094 -3.883 -5.664 484 HD2 LYS 63 HD2 LYS 63 -13.154 -3.497 -7.748 485 HD3 LYS 63 HD3 LYS 63 -14.331 -3.088 -6.502 486 HE2 LYS 63 HE2 LYS 63 -12.591 -0.935 -7.603 487 HE3 LYS 63 HE3 LYS 63 -13.929 -1.526 -8.584 488 HZ1 LYS 63 HZ1 LYS 63 -14.136 -0.378 -5.848 489 HZ2 LYS 63 HZ2 LYS 63 -15.433 -1.007 -6.742 490 HZ3 LYS 63 HZ3 LYS 63 -14.611 0.369 -7.296 491 H LEU 64 H LEU 64 -9.284 -2.973 -2.880 492 HA LEU 64 HA LEU 64 -8.021 -0.483 -3.534 493 HB2 LEU 64 HB2 LEU 64 -7.181 -1.582 -1.578 494 HB3 LEU 64 HB3 LEU 64 -7.048 -3.109 -2.437 495 HG LEU 64 HG LEU 64 -4.923 -1.765 -1.809 496 HD11 LEU 64 HD11 LEU 64 -4.840 -3.763 -3.180 497 HD12 LEU 64 HD12 LEU 64 -5.263 -2.817 -4.608 498 HD13 LEU 64 HD13 LEU 64 -3.726 -2.539 -3.789 499 HD21 LEU 64 HD21 LEU 64 -5.772 -0.317 -4.298 500 HD22 LEU 64 HD22 LEU 64 -5.629 0.365 -2.678 501 HD23 LEU 64 HD23 LEU 64 -4.189 -0.197 -3.529 502 H ILE 65 H ILE 65 -7.478 0.055 -5.426 503 HA ILE 65 HA ILE 65 -6.327 -1.915 -7.301 504 HB ILE 65 HB ILE 65 -7.908 0.570 -7.916 505 HG12 ILE 65 HG12 ILE 65 -8.734 -2.338 -8.176 506 HG13 ILE 65 HG13 ILE 65 -9.360 -1.185 -7.003 507 HG21 ILE 65 HG21 ILE 65 -7.853 -0.239 -10.256 508 HG22 ILE 65 HG22 ILE 65 -6.244 0.091 -9.615 509 HG23 ILE 65 HG23 ILE 65 -6.815 -1.572 -9.750 510 HD11 ILE 65 HD11 ILE 65 -10.924 -1.515 -8.821 511 HD12 ILE 65 HD12 ILE 65 -10.314 0.141 -8.818 512 HD13 ILE 65 HD13 ILE 65 -9.697 -1.025 -9.988 513 H PHE 66 H PHE 66 -4.191 -1.439 -7.082 514 HA PHE 66 HA PHE 66 -3.334 0.811 -8.478 515 HB2 PHE 66 HB2 PHE 66 -3.474 1.302 -5.707 516 HB3 PHE 66 HB3 PHE 66 -1.775 1.249 -6.187 517 HD1 PHE 66 HD1 PHE 66 -2.371 2.167 -9.110 518 HD2 PHE 66 HD2 PHE 66 -3.465 3.676 -5.287 519 HE1 PHE 66 HE1 PHE 66 -2.541 4.432 -10.055 520 HE2 PHE 66 HE2 PHE 66 -3.635 5.940 -6.226 521 HZ PHE 66 HZ PHE 66 -3.247 6.282 -8.692 522 H LYS 67 H LYS 67 -1.156 0.738 -9.078 523 HA LYS 67 HA LYS 67 0.768 -0.245 -9.691 524 HB2 LYS 67 HB2 LYS 67 1.530 -2.241 -7.992 525 HB3 LYS 67 HB3 LYS 67 1.950 -0.562 -7.810 526 HG2 LYS 67 HG2 LYS 67 0.280 -0.264 -6.105 527 HG3 LYS 67 HG3 LYS 67 -0.384 -1.895 -6.362 528 HD2 LYS 67 HD2 LYS 67 1.890 -2.793 -5.724 529 HD3 LYS 67 HD3 LYS 67 2.397 -1.151 -5.344 530 HE2 LYS 67 HE2 LYS 67 0.220 -1.257 -3.816 531 HE3 LYS 67 HE3 LYS 67 0.575 -2.982 -3.872 532 HZ1 LYS 67 HZ1 LYS 67 2.892 -2.384 -3.145 533 HZ2 LYS 67 HZ2 LYS 67 1.695 -2.127 -1.983 534 HZ3 LYS 67 HZ3 LYS 67 2.330 -0.816 -2.846 535 H GLY 68 H GLY 68 -1.714 -1.215 -10.610 536 HA2 GLY 68 HA2 GLY 68 -2.570 -2.904 -11.883 537 HA3 GLY 68 HA3 GLY 68 -0.930 -3.529 -12.007 538 H LYS 69 H LYS 69 -2.007 -3.108 -8.879 539 HA LYS 69 HA LYS 69 -2.547 -5.982 -8.621 540 HB2 LYS 69 HB2 LYS 69 -1.284 -4.112 -6.612 541 HB3 LYS 69 HB3 LYS 69 -1.538 -5.838 -6.400 542 HG2 LYS 69 HG2 LYS 69 0.018 -6.300 -8.213 543 HG3 LYS 69 HG3 LYS 69 0.256 -4.568 -8.453 544 HD2 LYS 69 HD2 LYS 69 2.034 -4.942 -7.104 545 HD3 LYS 69 HD3 LYS 69 0.819 -4.717 -5.845 546 HE2 LYS 69 HE2 LYS 69 1.633 -7.386 -6.986 547 HE3 LYS 69 HE3 LYS 69 2.275 -6.701 -5.502 548 HZ1 LYS 69 HZ1 LYS 69 0.064 -6.740 -4.562 549 HZ2 LYS 69 HZ2 LYS 69 0.530 -8.285 -5.066 550 HZ3 LYS 69 HZ3 LYS 69 -0.569 -7.387 -5.994 551 H SER 70 H SER 70 -4.201 -6.613 -7.303 552 HA SER 70 HA SER 70 -5.949 -4.468 -6.327 553 HB2 SER 70 HB2 SER 70 -7.861 -6.040 -6.843 554 HB3 SER 70 HB3 SER 70 -6.983 -5.478 -8.271 555 HG SER 70 HG SER 70 -6.085 -7.833 -7.069 556 H LEU 71 H LEU 71 -6.946 -4.829 -4.264 557 HA LEU 71 HA LEU 71 -5.039 -6.113 -2.603 558 HB2 LEU 71 HB2 LEU 71 -6.071 -5.170 -0.784 559 HB3 LEU 71 HB3 LEU 71 -6.652 -4.121 -2.078 560 HG LEU 71 HG LEU 71 -8.240 -6.453 -1.004 561 HD11 LEU 71 HD11 LEU 71 -9.516 -4.813 0.261 562 HD12 LEU 71 HD12 LEU 71 -7.829 -4.839 0.772 563 HD13 LEU 71 HD13 LEU 71 -8.417 -3.539 -0.266 564 HD21 LEU 71 HD21 LEU 71 -9.039 -4.064 -2.664 565 HD22 LEU 71 HD22 LEU 71 -8.869 -5.719 -3.248 566 HD23 LEU 71 HD23 LEU 71 -10.122 -5.323 -2.071 567 H LYS 72 H LYS 72 -4.923 -7.961 -1.598 568 HA LYS 72 HA LYS 72 -7.163 -9.371 -0.633 569 HB2 LYS 72 HB2 LYS 72 -6.877 -10.084 -3.171 570 HB3 LYS 72 HB3 LYS 72 -5.557 -11.054 -2.527 571 HG2 LYS 72 HG2 LYS 72 -7.454 -12.459 -2.591 572 HG3 LYS 72 HG3 LYS 72 -7.211 -12.030 -0.897 573 HD2 LYS 72 HD2 LYS 72 -8.893 -10.170 -1.277 574 HD3 LYS 72 HD3 LYS 72 -9.262 -10.951 -2.814 575 HE2 LYS 72 HE2 LYS 72 -9.632 -12.047 -0.037 576 HE3 LYS 72 HE3 LYS 72 -10.870 -11.724 -1.247 577 HZ1 LYS 72 HZ1 LYS 72 -9.040 -13.985 -1.007 578 HZ2 LYS 72 HZ2 LYS 72 -9.407 -13.468 -2.575 579 HZ3 LYS 72 HZ3 LYS 72 -10.654 -13.945 -1.530 580 H GLU 73 H GLU 73 -6.373 -11.364 0.582 581 HA GLU 73 HA GLU 73 -4.233 -10.724 2.218 582 HB2 GLU 73 HB2 GLU 73 -5.264 -13.507 1.639 583 HB3 GLU 73 HB3 GLU 73 -4.309 -13.032 3.034 584 HG2 GLU 73 HG2 GLU 73 -6.385 -13.019 3.951 585 HG3 GLU 73 HG3 GLU 73 -6.287 -11.346 3.406 586 H MET 74 H MET 74 -4.252 -13.078 -0.453 587 HA MET 74 HA MET 74 -1.358 -12.665 -0.709 588 HB2 MET 74 HB2 MET 74 -1.644 -14.724 0.541 589 HB3 MET 74 HB3 MET 74 -2.783 -15.333 -0.650 590 HG2 MET 74 HG2 MET 74 -1.003 -15.420 -2.314 591 HG3 MET 74 HG3 MET 74 0.138 -14.785 -1.130 592 HE1 MET 74 HE1 MET 74 0.437 -17.675 1.443 593 HE2 MET 74 HE2 MET 74 1.000 -16.077 0.953 594 HE3 MET 74 HE3 MET 74 -0.648 -16.289 1.541 595 H GLU 75 H GLU 75 -2.224 -11.231 -2.453 596 HA GLU 75 HA GLU 75 -3.102 -12.729 -4.749 597 HB2 GLU 75 HB2 GLU 75 -4.063 -10.771 -5.541 598 HB3 GLU 75 HB3 GLU 75 -4.237 -10.690 -3.797 599 HG2 GLU 75 HG2 GLU 75 -3.475 -8.643 -3.920 600 HG3 GLU 75 HG3 GLU 75 -1.891 -9.332 -4.282 601 H THR 76 H THR 76 -1.583 -9.981 -6.011 602 HA THR 76 HA THR 76 0.067 -11.912 -7.405 603 HB THR 76 HB THR 76 0.648 -10.123 -8.972 604 HG1 THR 76 HG1 THR 76 -1.146 -8.420 -7.576 605 HG21 THR 76 HG21 THR 76 -1.378 -11.430 -9.326 606 HG22 THR 76 HG22 THR 76 -1.598 -9.772 -9.885 607 HG23 THR 76 HG23 THR 76 -2.300 -10.289 -8.351 608 HA PRO 77 HA PRO 77 4.122 -12.116 -6.078 609 HB2 PRO 77 HB2 PRO 77 4.762 -10.253 -8.330 610 HB3 PRO 77 HB3 PRO 77 5.637 -11.685 -7.770 611 HG2 PRO 77 HG2 PRO 77 3.909 -11.783 -9.838 612 HG3 PRO 77 HG3 PRO 77 4.138 -13.142 -8.726 613 HD2 PRO 77 HD2 PRO 77 1.811 -11.419 -9.067 614 HD3 PRO 77 HD3 PRO 77 1.954 -12.937 -8.165 615 H LEU 78 H LEU 78 5.490 -11.334 -4.797 616 HA LEU 78 HA LEU 78 5.044 -8.918 -3.401 617 HB2 LEU 78 HB2 LEU 78 7.218 -10.982 -3.224 618 HB3 LEU 78 HB3 LEU 78 7.048 -9.650 -2.101 619 HG LEU 78 HG LEU 78 4.684 -10.557 -1.722 620 HD11 LEU 78 HD11 LEU 78 5.975 -13.018 -2.894 621 HD12 LEU 78 HD12 LEU 78 4.425 -12.970 -2.054 622 HD13 LEU 78 HD13 LEU 78 4.624 -12.124 -3.589 623 HD21 LEU 78 HD21 LEU 78 6.461 -10.636 -0.061 624 HD22 LEU 78 HD22 LEU 78 5.495 -12.113 -0.016 625 HD23 LEU 78 HD23 LEU 78 7.084 -12.119 -0.783 626 H SER 79 H SER 79 7.593 -9.957 -5.623 627 HA SER 79 HA SER 79 9.197 -7.689 -5.496 628 HB2 SER 79 HB2 SER 79 8.557 -9.328 -7.962 629 HB3 SER 79 HB3 SER 79 9.952 -8.267 -7.759 630 HG SER 79 HG SER 79 10.917 -9.726 -6.575 631 H ALA 80 H ALA 80 6.222 -8.263 -7.214 632 HA ALA 80 HA ALA 80 6.170 -5.722 -8.555 633 HB1 ALA 80 HB1 ALA 80 3.928 -6.400 -9.274 634 HB2 ALA 80 HB2 ALA 80 5.116 -7.668 -9.573 635 HB3 ALA 80 HB3 ALA 80 4.011 -7.801 -8.205 636 H LEU 81 H LEU 81 5.915 -6.412 -5.388 637 HA LEU 81 HA LEU 81 3.337 -5.413 -4.752 638 HB2 LEU 81 HB2 LEU 81 5.257 -6.912 -3.449 639 HB3 LEU 81 HB3 LEU 81 5.116 -5.451 -2.492 640 HG LEU 81 HG LEU 81 3.578 -6.948 -1.530 641 HD11 LEU 81 HD11 LEU 81 1.987 -5.285 -3.479 642 HD12 LEU 81 HD12 LEU 81 1.374 -6.022 -1.999 643 HD13 LEU 81 HD13 LEU 81 2.592 -4.749 -1.912 644 HD21 LEU 81 HD21 LEU 81 2.620 -7.613 -4.308 645 HD22 LEU 81 HD22 LEU 81 3.632 -8.631 -3.283 646 HD23 LEU 81 HD23 LEU 81 1.975 -8.267 -2.803 647 H GLY 82 H GLY 82 5.435 -3.460 -6.042 648 HA2 GLY 82 HA2 GLY 82 5.012 -1.073 -5.805 649 HA3 GLY 82 HA3 GLY 82 4.696 -1.363 -4.121 650 H MET 83 H MET 83 7.599 -2.518 -5.900 651 HA MET 83 HA MET 83 9.224 -1.378 -3.842 652 HB2 MET 83 HB2 MET 83 11.146 -1.967 -5.361 653 HB3 MET 83 HB3 MET 83 10.099 -3.304 -4.920 654 HG2 MET 83 HG2 MET 83 8.998 -3.143 -7.106 655 HG3 MET 83 HG3 MET 83 10.087 -1.823 -7.540 656 HE1 MET 83 HE1 MET 83 10.795 -3.196 -9.747 657 HE2 MET 83 HE2 MET 83 11.370 -4.862 -9.699 658 HE3 MET 83 HE3 MET 83 9.699 -4.492 -9.266 659 H GLN 84 H GLN 84 8.388 0.666 -3.895 660 HA GLN 84 HA GLN 84 10.350 2.526 -4.784 661 HB2 GLN 84 HB2 GLN 84 7.435 3.180 -5.419 662 HB3 GLN 84 HB3 GLN 84 8.823 4.206 -5.704 663 HG2 GLN 84 HG2 GLN 84 8.340 1.598 -7.124 664 HG3 GLN 84 HG3 GLN 84 7.827 3.166 -7.737 665 HE21 GLN 84 HE21 GLN 84 9.097 2.847 -9.576 666 HE22 GLN 84 HE22 GLN 84 10.816 3.036 -9.546 667 H ASN 85 H ASN 85 9.363 4.738 -3.331 668 HA ASN 85 HA ASN 85 9.020 3.629 -0.750 669 HB2 ASN 85 HB2 ASN 85 8.221 5.887 -0.056 670 HB3 ASN 85 HB3 ASN 85 9.715 5.975 -0.982 671 HD21 ASN 85 HD21 ASN 85 7.657 7.986 -0.509 672 HD22 ASN 85 HD22 ASN 85 7.145 8.510 -2.077 673 H GLY 86 H GLY 86 7.404 2.248 -0.427 674 HA2 GLY 86 HA2 GLY 86 5.369 1.352 -0.166 675 HA3 GLY 86 HA3 GLY 86 4.775 3.000 -0.004 676 H CYS 87 H CYS 87 5.688 3.411 -2.926 677 HA CYS 87 HA CYS 87 4.698 3.513 -4.955 678 HB2 CYS 87 HB2 CYS 87 4.823 0.982 -4.658 679 HB3 CYS 87 HB3 CYS 87 3.117 1.082 -4.232 680 HG CYS 87 HG CYS 87 4.493 0.958 -7.222 681 H ARG 88 H ARG 88 1.937 2.492 -5.427 682 HA ARG 88 HA ARG 88 0.426 4.317 -3.708 683 HB2 ARG 88 HB2 ARG 88 -0.926 4.933 -5.766 684 HB3 ARG 88 HB3 ARG 88 0.690 5.609 -5.671 685 HG2 ARG 88 HG2 ARG 88 0.222 3.077 -7.187 686 HG3 ARG 88 HG3 ARG 88 -0.198 4.630 -7.909 687 HD2 ARG 88 HD2 ARG 88 2.134 5.391 -7.538 688 HD3 ARG 88 HD3 ARG 88 2.529 3.794 -6.900 689 HE ARG 88 HE ARG 88 1.375 3.632 -9.501 690 HH11 ARG 88 HH11 ARG 88 4.360 4.399 -7.834 691 HH12 ARG 88 HH12 ARG 88 5.375 3.919 -9.156 692 HH21 ARG 88 HH21 ARG 88 2.719 3.008 -11.248 693 HH22 ARG 88 HH22 ARG 88 4.442 3.126 -11.088 694 H VAL 89 H VAL 89 -1.690 3.707 -3.286 695 HA VAL 89 HA VAL 89 -2.875 1.355 -4.511 696 HB VAL 89 HB VAL 89 -3.426 0.382 -2.233 697 HG11 VAL 89 HG11 VAL 89 -0.534 0.299 -3.072 698 HG12 VAL 89 HG12 VAL 89 -1.342 -0.874 -2.031 699 HG13 VAL 89 HG13 VAL 89 -1.834 -0.703 -3.715 700 HG21 VAL 89 HG21 VAL 89 -1.116 2.107 -1.366 701 HG22 VAL 89 HG22 VAL 89 -2.798 2.287 -0.869 702 HG23 VAL 89 HG23 VAL 89 -1.887 0.855 -0.394 703 H MET 90 H MET 90 -4.826 2.149 -5.060 704 HA MET 90 HA MET 90 -6.142 3.630 -2.889 705 HB2 MET 90 HB2 MET 90 -6.802 5.361 -4.067 706 HB3 MET 90 HB3 MET 90 -5.385 4.962 -5.030 707 HG2 MET 90 HG2 MET 90 -6.883 3.694 -6.571 708 HG3 MET 90 HG3 MET 90 -8.248 4.284 -5.616 709 HE1 MET 90 HE1 MET 90 -9.274 5.201 -7.954 710 HE2 MET 90 HE2 MET 90 -8.419 6.331 -9.003 711 HE3 MET 90 HE3 MET 90 -7.833 4.678 -8.825 712 H LEU 91 H LEU 91 -8.090 3.202 -2.364 713 HA LEU 91 HA LEU 91 -9.339 0.936 -3.710 714 HB2 LEU 91 HB2 LEU 91 -10.399 0.362 -1.622 715 HB3 LEU 91 HB3 LEU 91 -8.667 0.434 -1.432 716 HG LEU 91 HG LEU 91 -9.350 1.369 0.537 717 HD11 LEU 91 HD11 LEU 91 -9.124 3.796 0.511 718 HD12 LEU 91 HD12 LEU 91 -7.888 2.992 -0.457 719 HD13 LEU 91 HD13 LEU 91 -9.251 3.785 -1.247 720 HD21 LEU 91 HD21 LEU 91 -11.641 2.707 -0.911 721 HD22 LEU 91 HD22 LEU 91 -11.733 1.288 0.134 722 HD23 LEU 91 HD23 LEU 91 -11.299 2.858 0.813 723 H ILE 92 H ILE 92 -11.224 1.200 -4.645 724 HA ILE 92 HA ILE 92 -12.731 3.602 -3.900 725 HB ILE 92 HB ILE 92 -13.026 1.988 -6.446 726 HG12 ILE 92 HG12 ILE 92 -11.684 4.673 -6.055 727 HG13 ILE 92 HG13 ILE 92 -10.828 3.152 -6.273 728 HG21 ILE 92 HG21 ILE 92 -14.348 3.908 -7.212 729 HG22 ILE 92 HG22 ILE 92 -15.055 3.148 -5.787 730 HG23 ILE 92 HG23 ILE 92 -14.160 4.660 -5.627 731 HD11 ILE 92 HD11 ILE 92 -12.680 4.421 -8.274 732 HD12 ILE 92 HD12 ILE 92 -10.917 4.445 -8.330 733 HD13 ILE 92 HD13 ILE 92 -11.784 2.918 -8.492 734 H GLY 93 H GLY 93 -14.201 3.201 -2.542 735 HA2 GLY 93 HA2 GLY 93 -16.441 1.660 -2.918 736 HA3 GLY 93 HA3 GLY 93 -15.302 0.609 -2.082 737 H GLU 94 H GLU 94 -14.630 1.136 0.025 738 HA GLU 94 HA GLU 94 -15.835 3.464 1.273 739 HB2 GLU 94 HB2 GLU 94 -16.729 0.711 1.688 740 HB3 GLU 94 HB3 GLU 94 -16.366 1.572 3.178 741 HG2 GLU 94 HG2 GLU 94 -17.891 3.364 2.503 742 HG3 GLU 94 HG3 GLU 94 -18.272 2.470 1.031 743 H LYS 95 H LYS 95 -14.189 4.429 2.249 744 HA LYS 95 HA LYS 95 -12.438 2.817 3.948 745 HB2 LYS 95 HB2 LYS 95 -12.400 5.686 3.031 746 HB3 LYS 95 HB3 LYS 95 -11.572 5.243 4.512 747 HG2 LYS 95 HG2 LYS 95 -10.346 3.495 3.140 748 HG3 LYS 95 HG3 LYS 95 -11.005 4.303 1.718 749 HD2 LYS 95 HD2 LYS 95 -9.851 6.315 2.216 750 HD3 LYS 95 HD3 LYS 95 -9.419 5.747 3.832 751 HE2 LYS 95 HE2 LYS 95 -8.419 4.624 1.199 752 HE3 LYS 95 HE3 LYS 95 -7.484 5.595 2.350 753 HZ1 LYS 95 HZ1 LYS 95 -7.759 3.844 3.991 754 HZ2 LYS 95 HZ2 LYS 95 -7.010 3.248 2.600 755 HZ3 LYS 95 HZ3 LYS 95 -8.640 2.911 2.890 756 H SER 96 H SER 96 -14.489 2.177 4.959 757 HA SER 96 HA SER 96 -16.338 3.866 6.138 758 HB2 SER 96 HB2 SER 96 -15.517 1.140 7.149 759 HB3 SER 96 HB3 SER 96 -17.087 1.923 7.360 760 HG SER 96 HG SER 96 -17.530 1.643 5.221 761 H ASN 97 H ASN 97 -15.313 5.563 7.197 762 HA ASN 97 HA ASN 97 -14.277 4.935 9.866 763 HB2 ASN 97 HB2 ASN 97 -12.307 5.304 8.479 764 HB3 ASN 97 HB3 ASN 97 -12.990 6.804 7.860 765 HD21 ASN 97 HD21 ASN 97 -11.310 8.061 8.546 766 HD22 ASN 97 HD22 ASN 97 -11.010 8.404 10.222 Start of MODEL 11 1 H1 MET 1 H1 MET 1 2.869 14.005 -8.645 2 H2 MET 1 H2 MET 1 2.122 13.069 -7.445 3 H3 MET 1 H3 MET 1 1.249 13.542 -8.819 4 HB2 MET 1 HB2 MET 1 1.533 12.502 -10.946 5 HB3 MET 1 HB3 MET 1 3.219 12.996 -10.964 6 HG2 MET 1 HG2 MET 1 2.872 11.215 -12.539 7 HG3 MET 1 HG3 MET 1 3.889 10.651 -11.214 8 HE1 MET 1 HE1 MET 1 2.408 8.741 -13.326 9 HE2 MET 1 HE2 MET 1 3.453 8.150 -12.035 10 HE3 MET 1 HE3 MET 1 1.845 7.459 -12.254 11 H ALA 2 H ALA 2 4.555 13.549 -8.639 12 HA ALA 2 HA ALA 2 6.761 11.905 -8.984 13 HB1 ALA 2 HB1 ALA 2 6.857 14.351 -8.826 14 HB2 ALA 2 HB2 ALA 2 6.521 14.242 -7.099 15 HB3 ALA 2 HB3 ALA 2 8.017 13.569 -7.751 16 H LYS 3 H LYS 3 7.450 10.186 -7.936 17 HA LYS 3 HA LYS 3 7.454 10.047 -5.073 18 HB2 LYS 3 HB2 LYS 3 5.336 9.239 -4.963 19 HB3 LYS 3 HB3 LYS 3 5.345 8.690 -6.633 20 HG2 LYS 3 HG2 LYS 3 6.465 6.695 -6.078 21 HG3 LYS 3 HG3 LYS 3 6.861 7.278 -4.464 22 HD2 LYS 3 HD2 LYS 3 3.991 7.110 -5.194 23 HD3 LYS 3 HD3 LYS 3 4.856 5.592 -4.920 24 HE2 LYS 3 HE2 LYS 3 3.807 6.353 -2.872 25 HE3 LYS 3 HE3 LYS 3 5.562 6.382 -2.722 26 HZ1 LYS 3 HZ1 LYS 3 4.636 8.356 -1.749 27 HZ2 LYS 3 HZ2 LYS 3 3.789 8.735 -3.164 28 HZ3 LYS 3 HZ3 LYS 3 5.477 8.798 -3.151 29 H THR 4 H THR 4 7.811 8.291 -8.113 30 HA THR 4 HA THR 4 8.928 5.944 -7.456 31 HB THR 4 HB THR 4 10.081 7.653 -9.655 32 HG1 THR 4 HG1 THR 4 7.999 7.769 -10.169 33 HG21 THR 4 HG21 THR 4 10.277 5.488 -10.817 34 HG22 THR 4 HG22 THR 4 9.653 4.672 -9.383 35 HG23 THR 4 HG23 THR 4 11.203 5.511 -9.316 36 H GLU 5 H GLU 5 10.960 8.867 -7.946 37 HA GLU 5 HA GLU 5 13.254 7.445 -6.902 38 HB2 GLU 5 HB2 GLU 5 12.953 10.296 -7.852 39 HB3 GLU 5 HB3 GLU 5 14.475 9.550 -7.378 40 HG2 GLU 5 HG2 GLU 5 12.717 8.573 -9.615 41 HG3 GLU 5 HG3 GLU 5 14.113 9.629 -9.822 42 H GLU 6 H GLU 6 11.907 7.201 -4.856 43 HA GLU 6 HA GLU 6 12.852 9.269 -2.982 44 HB2 GLU 6 HB2 GLU 6 10.205 7.844 -3.014 45 HB3 GLU 6 HB3 GLU 6 10.857 8.519 -1.533 46 HG2 GLU 6 HG2 GLU 6 10.261 10.076 -4.034 47 HG3 GLU 6 HG3 GLU 6 9.199 9.945 -2.630 48 H MET 7 H MET 7 11.098 6.309 -2.368 49 HA MET 7 HA MET 7 11.388 4.742 -0.793 50 HB2 MET 7 HB2 MET 7 13.912 4.662 -2.373 51 HB3 MET 7 HB3 MET 7 13.814 3.690 -0.907 52 HG2 MET 7 HG2 MET 7 11.954 2.492 -1.715 53 HG3 MET 7 HG3 MET 7 11.758 3.583 -3.091 54 HE1 MET 7 HE1 MET 7 15.242 0.586 -2.595 55 HE2 MET 7 HE2 MET 7 15.105 2.057 -1.631 56 HE3 MET 7 HE3 MET 7 13.917 0.769 -1.443 57 H VAL 8 H VAL 8 11.337 6.995 0.436 58 HA VAL 8 HA VAL 8 12.734 6.524 2.822 59 HB VAL 8 HB VAL 8 14.679 7.312 1.535 60 HG11 VAL 8 HG11 VAL 8 13.576 8.709 -0.100 61 HG12 VAL 8 HG12 VAL 8 13.175 9.889 1.149 62 HG13 VAL 8 HG13 VAL 8 14.862 9.601 0.715 63 HG21 VAL 8 HG21 VAL 8 14.634 7.796 3.914 64 HG22 VAL 8 HG22 VAL 8 15.484 9.058 3.025 65 HG23 VAL 8 HG23 VAL 8 13.841 9.338 3.598 66 H GLN 9 H GLN 9 10.165 6.798 2.657 67 HA GLN 9 HA GLN 9 9.581 9.569 3.508 68 HB2 GLN 9 HB2 GLN 9 7.832 7.465 2.256 69 HB3 GLN 9 HB3 GLN 9 7.157 8.851 3.101 70 HG2 GLN 9 HG2 GLN 9 9.079 9.075 0.803 71 HG3 GLN 9 HG3 GLN 9 7.326 9.080 0.621 72 HE21 GLN 9 HE21 GLN 9 10.105 10.865 1.666 73 HE22 GLN 9 HE22 GLN 9 9.296 12.375 1.895 74 H THR 10 H THR 10 8.332 6.268 4.232 75 HA THR 10 HA THR 10 8.369 7.010 7.092 76 HB THR 10 HB THR 10 6.408 5.090 5.808 77 HG1 THR 10 HG1 THR 10 5.309 7.394 6.772 78 HG21 THR 10 HG21 THR 10 6.815 4.709 8.190 79 HG22 THR 10 HG22 THR 10 5.192 5.349 7.930 80 HG23 THR 10 HG23 THR 10 6.471 6.405 8.533 81 H GLU 11 H GLU 11 9.938 5.864 8.109 82 HA GLU 11 HA GLU 11 10.715 3.301 6.915 83 HB2 GLU 11 HB2 GLU 11 12.442 5.003 7.020 84 HB3 GLU 11 HB3 GLU 11 12.256 5.131 8.747 85 HG2 GLU 11 HG2 GLU 11 13.048 2.831 9.000 86 HG3 GLU 11 HG3 GLU 11 13.221 2.714 7.247 87 H GLU 12 H GLU 12 11.212 1.530 8.136 88 HA GLU 12 HA GLU 12 10.280 1.287 10.871 89 HB2 GLU 12 HB2 GLU 12 8.240 1.005 9.474 90 HB3 GLU 12 HB3 GLU 12 9.052 -0.250 8.555 91 HG2 GLU 12 HG2 GLU 12 7.445 -1.123 10.193 92 HG3 GLU 12 HG3 GLU 12 9.087 -1.703 10.459 93 H MET 13 H MET 13 10.524 -1.348 11.282 94 HA MET 13 HA MET 13 13.265 -1.667 11.347 95 HB2 MET 13 HB2 MET 13 11.093 -3.738 11.593 96 HB3 MET 13 HB3 MET 13 12.786 -4.061 11.942 97 HG2 MET 13 HG2 MET 13 12.758 -2.342 13.678 98 HG3 MET 13 HG3 MET 13 11.063 -2.015 13.324 99 HE1 MET 13 HE1 MET 13 10.956 -3.780 16.832 100 HE2 MET 13 HE2 MET 13 12.258 -2.742 16.253 101 HE3 MET 13 HE3 MET 13 10.578 -2.315 15.924 102 H GLU 14 H GLU 14 11.044 -3.112 8.895 103 HA GLU 14 HA GLU 14 13.500 -3.940 7.500 104 HB2 GLU 14 HB2 GLU 14 11.858 -5.742 7.867 105 HB3 GLU 14 HB3 GLU 14 10.672 -4.839 6.948 106 HG2 GLU 14 HG2 GLU 14 11.686 -6.618 5.625 107 HG3 GLU 14 HG3 GLU 14 12.004 -5.022 4.945 108 H THR 15 H THR 15 11.038 -1.551 7.324 109 HA THR 15 HA THR 15 10.950 -1.419 4.445 110 HB THR 15 HB THR 15 9.556 0.498 4.648 111 HG1 THR 15 HG1 THR 15 9.268 1.490 6.740 112 HG21 THR 15 HG21 THR 15 8.460 -1.571 5.271 113 HG22 THR 15 HG22 THR 15 7.838 -0.239 6.247 114 HG23 THR 15 HG23 THR 15 8.994 -1.377 6.940 115 HA PRO 16 HA PRO 16 14.401 1.283 4.004 116 HB2 PRO 16 HB2 PRO 16 14.069 1.798 1.350 117 HB3 PRO 16 HB3 PRO 16 14.707 0.272 1.966 118 HG2 PRO 16 HG2 PRO 16 12.160 0.796 0.680 119 HG3 PRO 16 HG3 PRO 16 12.909 -0.755 1.076 120 HD2 PRO 16 HD2 PRO 16 10.807 0.707 2.509 121 HD3 PRO 16 HD3 PRO 16 11.363 -0.984 2.715 122 H ARG 17 H ARG 17 12.112 2.324 5.153 123 HA ARG 17 HA ARG 17 10.864 4.158 5.515 124 HB2 ARG 17 HB2 ARG 17 13.311 5.105 5.223 125 HB3 ARG 17 HB3 ARG 17 12.643 5.804 3.756 126 HG2 ARG 17 HG2 ARG 17 11.039 7.052 4.984 127 HG3 ARG 17 HG3 ARG 17 11.438 6.200 6.479 128 HD2 ARG 17 HD2 ARG 17 13.199 8.066 4.921 129 HD3 ARG 17 HD3 ARG 17 12.472 8.369 6.500 130 HE ARG 17 HE ARG 17 14.073 6.036 6.593 131 HH11 ARG 17 HH11 ARG 17 14.304 9.533 6.530 132 HH12 ARG 17 HH12 ARG 17 15.910 9.556 7.204 133 HH21 ARG 17 HH21 ARG 17 16.128 6.060 7.520 134 HH22 ARG 17 HH22 ARG 17 16.955 7.575 7.770 135 H LEU 18 H LEU 18 9.463 2.794 3.987 136 HA LEU 18 HA LEU 18 8.979 4.337 1.528 137 HB2 LEU 18 HB2 LEU 18 8.954 1.448 2.100 138 HB3 LEU 18 HB3 LEU 18 7.710 2.066 1.042 139 HG LEU 18 HG LEU 18 9.256 2.781 -0.578 140 HD11 LEU 18 HD11 LEU 18 11.666 2.706 -0.250 141 HD12 LEU 18 HD12 LEU 18 10.879 3.806 0.880 142 HD13 LEU 18 HD13 LEU 18 11.419 2.219 1.426 143 HD21 LEU 18 HD21 LEU 18 10.510 0.730 -1.083 144 HD22 LEU 18 HD22 LEU 18 10.166 0.131 0.540 145 HD23 LEU 18 HD23 LEU 18 8.846 0.395 -0.602 146 H SER 19 H SER 19 7.202 5.434 1.393 147 HA SER 19 HA SER 19 4.864 4.639 2.982 148 HB2 SER 19 HB2 SER 19 5.834 6.585 3.977 149 HB3 SER 19 HB3 SER 19 5.973 7.378 2.397 150 HG SER 19 HG SER 19 3.885 7.307 4.124 151 H VAL 20 H VAL 20 3.011 4.525 1.964 152 HA VAL 20 HA VAL 20 3.013 4.827 -0.954 153 HB VAL 20 HB VAL 20 2.609 2.560 0.033 154 HG11 VAL 20 HG11 VAL 20 0.088 3.851 1.038 155 HG12 VAL 20 HG12 VAL 20 0.450 2.125 1.081 156 HG13 VAL 20 HG13 VAL 20 1.424 3.253 2.023 157 HG21 VAL 20 HG21 VAL 20 0.616 2.023 -1.299 158 HG22 VAL 20 HG22 VAL 20 0.296 3.746 -1.488 159 HG23 VAL 20 HG23 VAL 20 1.754 3.039 -2.182 160 H ILE 21 H ILE 21 1.147 5.578 -2.002 161 HA ILE 21 HA ILE 21 -0.439 7.528 -0.491 162 HB ILE 21 HB ILE 21 -0.787 6.991 -3.411 163 HG12 ILE 21 HG12 ILE 21 1.522 8.583 -2.268 164 HG13 ILE 21 HG13 ILE 21 1.669 6.981 -2.999 165 HG21 ILE 21 HG21 ILE 21 -1.119 9.423 -3.478 166 HG22 ILE 21 HG22 ILE 21 -2.196 8.641 -2.321 167 HG23 ILE 21 HG23 ILE 21 -0.770 9.510 -1.750 168 HD11 ILE 21 HD11 ILE 21 2.321 8.770 -4.532 169 HD12 ILE 21 HD12 ILE 21 0.919 7.882 -5.127 170 HD13 ILE 21 HD13 ILE 21 0.710 9.474 -4.399 171 H VAL 22 H VAL 22 -2.184 6.681 0.481 172 HA VAL 22 HA VAL 22 -3.714 4.632 -0.970 173 HB VAL 22 HB VAL 22 -4.214 5.462 1.880 174 HG11 VAL 22 HG11 VAL 22 -4.895 2.982 0.313 175 HG12 VAL 22 HG12 VAL 22 -5.291 3.271 2.007 176 HG13 VAL 22 HG13 VAL 22 -6.004 4.282 0.749 177 HG21 VAL 22 HG21 VAL 22 -2.412 3.236 0.920 178 HG22 VAL 22 HG22 VAL 22 -1.897 4.706 1.747 179 HG23 VAL 22 HG23 VAL 22 -2.893 3.523 2.593 180 H THR 23 H THR 23 -5.380 5.324 -2.035 181 HA THR 23 HA THR 23 -6.685 7.768 -1.103 182 HB THR 23 HB THR 23 -5.549 7.146 -3.793 183 HG1 THR 23 HG1 THR 23 -5.400 9.160 -1.862 184 HG21 THR 23 HG21 THR 23 -7.765 9.146 -3.295 185 HG22 THR 23 HG22 THR 23 -7.908 7.670 -4.250 186 HG23 THR 23 HG23 THR 23 -6.849 8.974 -4.792 187 H HIS 24 H HIS 24 -8.797 7.772 -1.057 188 HA HIS 24 HA HIS 24 -10.291 5.872 -2.756 189 HB2 HIS 24 HB2 HIS 24 -10.564 5.039 -0.517 190 HB3 HIS 24 HB3 HIS 24 -10.834 6.659 0.119 191 HD1 HIS 24 HD1 HIS 24 -12.522 4.395 -2.439 192 HD2 HIS 24 HD2 HIS 24 -13.445 7.145 0.537 193 HE1 HIS 24 HE1 HIS 24 -15.043 4.505 -2.367 194 HE2 HIS 24 HE2 HIS 24 -15.568 6.304 -0.680 195 H SER 25 H SER 25 -11.137 7.104 -4.254 196 HA SER 25 HA SER 25 -12.277 8.746 -5.342 197 HB2 SER 25 HB2 SER 25 -14.014 8.549 -3.655 198 HB3 SER 25 HB3 SER 25 -13.105 9.577 -2.548 199 HG SER 25 HG SER 25 -14.605 10.252 -4.807 200 H ASN 26 H ASN 26 -10.389 9.828 -2.579 201 HA ASN 26 HA ASN 26 -8.785 11.674 -3.917 202 HB2 ASN 26 HB2 ASN 26 -10.862 12.995 -4.192 203 HB3 ASN 26 HB3 ASN 26 -11.108 12.949 -2.449 204 HD21 ASN 26 HD21 ASN 26 -9.164 14.254 -5.027 205 HD22 ASN 26 HD22 ASN 26 -8.454 15.530 -4.104 206 H GLU 27 H GLU 27 -10.489 10.775 -0.986 207 HA GLU 27 HA GLU 27 -8.909 11.774 1.020 208 HB2 GLU 27 HB2 GLU 27 -10.930 10.452 1.435 209 HB3 GLU 27 HB3 GLU 27 -10.113 9.005 0.863 210 HG2 GLU 27 HG2 GLU 27 -8.479 9.253 2.704 211 HG3 GLU 27 HG3 GLU 27 -9.429 10.610 3.310 212 H ARG 28 H ARG 28 -6.944 11.301 1.890 213 HA ARG 28 HA ARG 28 -5.336 9.256 0.558 214 HB2 ARG 28 HB2 ARG 28 -5.196 11.564 -0.565 215 HB3 ARG 28 HB3 ARG 28 -4.360 12.092 0.884 216 HG2 ARG 28 HG2 ARG 28 -3.416 9.829 -0.860 217 HG3 ARG 28 HG3 ARG 28 -2.885 11.499 -1.036 218 HD2 ARG 28 HD2 ARG 28 -2.448 9.660 1.308 219 HD3 ARG 28 HD3 ARG 28 -1.230 10.330 0.227 220 HE ARG 28 HE ARG 28 -2.757 12.321 1.654 221 HH11 ARG 28 HH11 ARG 28 0.099 10.299 1.693 222 HH12 ARG 28 HH12 ARG 28 0.881 11.215 2.938 223 HH21 ARG 28 HH21 ARG 28 -1.739 13.509 3.307 224 HH22 ARG 28 HH22 ARG 28 -0.159 13.032 3.864 225 H TYR 29 H TYR 29 -4.337 8.115 2.031 226 HA TYR 29 HA TYR 29 -3.266 9.475 4.408 227 HB2 TYR 29 HB2 TYR 29 -4.567 6.763 4.222 228 HB3 TYR 29 HB3 TYR 29 -3.475 7.181 5.538 229 HD1 TYR 29 HD1 TYR 29 -4.104 8.965 7.142 230 HD2 TYR 29 HD2 TYR 29 -6.796 7.597 4.152 231 HE1 TYR 29 HE1 TYR 29 -5.971 10.000 8.358 232 HE2 TYR 29 HE2 TYR 29 -8.673 8.628 5.358 233 HH TYR 29 HH TYR 29 -8.230 10.835 7.903 234 H ASP 30 H ASP 30 -1.125 9.146 4.795 235 HA ASP 30 HA ASP 30 0.359 7.593 2.861 236 HB2 ASP 30 HB2 ASP 30 2.366 8.290 4.188 237 HB3 ASP 30 HB3 ASP 30 1.409 9.631 3.576 238 H LEU 31 H LEU 31 0.815 5.567 3.020 239 HA LEU 31 HA LEU 31 0.526 4.211 5.628 240 HB2 LEU 31 HB2 LEU 31 -1.041 3.902 3.349 241 HB3 LEU 31 HB3 LEU 31 0.069 2.553 3.273 242 HG LEU 31 HG LEU 31 -2.144 2.065 4.353 243 HD11 LEU 31 HD11 LEU 31 -1.151 0.778 6.189 244 HD12 LEU 31 HD12 LEU 31 -0.121 0.696 4.759 245 HD13 LEU 31 HD13 LEU 31 0.321 1.746 6.106 246 HD21 LEU 31 HD21 LEU 31 -2.415 4.190 5.521 247 HD22 LEU 31 HD22 LEU 31 -2.433 2.852 6.671 248 HD23 LEU 31 HD23 LEU 31 -0.994 3.860 6.511 249 H LEU 32 H LEU 32 1.899 2.238 5.828 250 HA LEU 32 HA LEU 32 4.402 2.766 4.385 251 HB2 LEU 32 HB2 LEU 32 4.914 3.282 6.538 252 HB3 LEU 32 HB3 LEU 32 3.758 2.139 7.211 253 HG LEU 32 HG LEU 32 6.112 0.943 5.861 254 HD11 LEU 32 HD11 LEU 32 7.126 2.858 7.005 255 HD12 LEU 32 HD12 LEU 32 6.335 2.378 8.505 256 HD13 LEU 32 HD13 LEU 32 7.561 1.337 7.783 257 HD21 LEU 32 HD21 LEU 32 4.706 0.459 8.489 258 HD22 LEU 32 HD22 LEU 32 4.420 -0.414 6.984 259 HD23 LEU 32 HD23 LEU 32 5.978 -0.551 7.800 260 H VAL 33 H VAL 33 5.557 1.129 3.472 261 HA VAL 33 HA VAL 33 4.147 -1.124 2.527 262 HB VAL 33 HB VAL 33 6.379 -1.840 1.603 263 HG11 VAL 33 HG11 VAL 33 5.767 1.067 1.261 264 HG12 VAL 33 HG12 VAL 33 6.770 0.086 0.192 265 HG13 VAL 33 HG13 VAL 33 5.052 -0.271 0.361 266 HG21 VAL 33 HG21 VAL 33 7.771 -1.176 3.481 267 HG22 VAL 33 HG22 VAL 33 8.340 -0.459 1.973 268 HG23 VAL 33 HG23 VAL 33 7.440 0.521 3.130 269 H THR 34 H THR 34 4.575 -3.387 2.981 270 HA THR 34 HA THR 34 4.653 -3.631 5.849 271 HB THR 34 HB THR 34 4.196 -5.812 3.819 272 HG1 THR 34 HG1 THR 34 2.753 -3.773 3.907 273 HG21 THR 34 HG21 THR 34 2.988 -6.911 5.643 274 HG22 THR 34 HG22 THR 34 3.370 -5.568 6.719 275 HG23 THR 34 HG23 THR 34 4.661 -6.598 6.103 276 HA PRO 35 HA PRO 35 8.943 -4.642 5.685 277 HB2 PRO 35 HB2 PRO 35 9.410 -4.366 8.311 278 HB3 PRO 35 HB3 PRO 35 9.128 -2.967 7.271 279 HG2 PRO 35 HG2 PRO 35 7.243 -4.350 9.139 280 HG3 PRO 35 HG3 PRO 35 7.468 -2.613 8.857 281 HD2 PRO 35 HD2 PRO 35 5.455 -4.104 7.738 282 HD3 PRO 35 HD3 PRO 35 6.101 -2.614 7.024 283 H GLN 36 H GLN 36 9.846 -6.497 5.681 284 HA GLN 36 HA GLN 36 10.249 -8.513 7.354 285 HB2 GLN 36 HB2 GLN 36 7.407 -8.683 6.471 286 HB3 GLN 36 HB3 GLN 36 8.327 -10.178 6.437 287 HG2 GLN 36 HG2 GLN 36 8.168 -8.435 8.876 288 HG3 GLN 36 HG3 GLN 36 6.984 -9.696 8.527 289 HE21 GLN 36 HE21 GLN 36 7.510 -10.868 10.339 290 HE22 GLN 36 HE22 GLN 36 8.995 -11.740 10.494 291 H GLN 37 H GLN 37 8.897 -7.831 4.228 292 HA GLN 37 HA GLN 37 9.784 -10.079 2.824 293 HB2 GLN 37 HB2 GLN 37 8.520 -7.546 2.251 294 HB3 GLN 37 HB3 GLN 37 9.721 -7.944 1.029 295 HG2 GLN 37 HG2 GLN 37 7.419 -9.687 1.859 296 HG3 GLN 37 HG3 GLN 37 7.551 -8.756 0.360 297 HE21 GLN 37 HE21 GLN 37 9.001 -9.422 -1.227 298 HE22 GLN 37 HE22 GLN 37 9.660 -11.024 -1.259 299 H GLY 38 H GLY 38 10.896 -6.988 1.732 300 HA2 GLY 38 HA2 GLY 38 13.694 -7.520 2.212 301 HA3 GLY 38 HA3 GLY 38 13.195 -7.694 0.525 302 H ASN 39 H ASN 39 11.786 -5.531 2.805 303 HA ASN 39 HA ASN 39 11.247 -3.379 2.775 304 HB2 ASN 39 HB2 ASN 39 12.998 -1.709 2.500 305 HB3 ASN 39 HB3 ASN 39 13.484 -3.045 3.540 306 HD21 ASN 39 HD21 ASN 39 15.271 -4.181 3.045 307 HD22 ASN 39 HD22 ASN 39 16.283 -3.871 1.673 308 H SER 40 H SER 40 12.826 -4.180 -0.259 309 HA SER 40 HA SER 40 11.620 -1.939 -1.616 310 HB2 SER 40 HB2 SER 40 13.328 -4.249 -2.576 311 HB3 SER 40 HB3 SER 40 12.836 -2.877 -3.582 312 HG SER 40 HG SER 40 14.119 -2.388 -1.128 313 H GLU 41 H GLU 41 11.039 -5.327 -1.166 314 HA GLU 41 HA GLU 41 8.963 -5.275 -3.243 315 HB2 GLU 41 HB2 GLU 41 10.473 -7.697 -2.242 316 HB3 GLU 41 HB3 GLU 41 9.404 -7.608 -3.635 317 HG2 GLU 41 HG2 GLU 41 10.966 -6.452 -4.915 318 HG3 GLU 41 HG3 GLU 41 11.906 -5.975 -3.501 319 HA PRO 42 HA PRO 42 7.054 -5.630 0.947 320 HB2 PRO 42 HB2 PRO 42 4.692 -4.754 -0.631 321 HB3 PRO 42 HB3 PRO 42 5.314 -4.136 0.903 322 HG2 PRO 42 HG2 PRO 42 5.644 -2.752 -1.339 323 HG3 PRO 42 HG3 PRO 42 6.941 -2.842 -0.131 324 HD2 PRO 42 HD2 PRO 42 6.657 -4.325 -2.721 325 HD3 PRO 42 HD3 PRO 42 8.105 -3.584 -2.002 326 H VAL 43 H VAL 43 5.105 -6.847 1.697 327 HA VAL 43 HA VAL 43 5.178 -9.423 0.428 328 HB VAL 43 HB VAL 43 3.817 -10.212 2.284 329 HG11 VAL 43 HG11 VAL 43 5.326 -9.719 4.137 330 HG12 VAL 43 HG12 VAL 43 6.220 -10.018 2.646 331 HG13 VAL 43 HG13 VAL 43 6.004 -8.367 3.230 332 HG21 VAL 43 HG21 VAL 43 2.336 -8.304 2.529 333 HG22 VAL 43 HG22 VAL 43 3.100 -8.694 4.070 334 HG23 VAL 43 HG23 VAL 43 3.676 -7.322 3.124 335 H VAL 44 H VAL 44 3.216 -10.659 -0.058 336 HA VAL 44 HA VAL 44 1.507 -9.492 -1.886 337 HB VAL 44 HB VAL 44 -0.045 -11.503 -1.228 338 HG11 VAL 44 HG11 VAL 44 1.391 -13.010 -2.531 339 HG12 VAL 44 HG12 VAL 44 1.292 -11.403 -3.254 340 HG13 VAL 44 HG13 VAL 44 2.730 -11.876 -2.347 341 HG21 VAL 44 HG21 VAL 44 2.525 -12.180 0.204 342 HG22 VAL 44 HG22 VAL 44 0.941 -11.941 0.943 343 HG23 VAL 44 HG23 VAL 44 1.216 -13.315 -0.126 344 H GLN 45 H GLN 45 1.271 -9.661 1.534 345 HA GLN 45 HA GLN 45 -1.462 -9.035 1.874 346 HB2 GLN 45 HB2 GLN 45 0.853 -8.518 3.747 347 HB3 GLN 45 HB3 GLN 45 -0.846 -8.494 4.187 348 HG2 GLN 45 HG2 GLN 45 -1.032 -10.858 3.726 349 HG3 GLN 45 HG3 GLN 45 0.644 -10.905 3.178 350 HE21 GLN 45 HE21 GLN 45 -0.405 -8.999 5.903 351 HE22 GLN 45 HE22 GLN 45 0.392 -9.933 7.117 352 H ASP 46 H ASP 46 1.352 -7.120 1.157 353 HA ASP 46 HA ASP 46 0.813 -4.813 2.656 354 HB2 ASP 46 HB2 ASP 46 3.011 -5.191 1.853 355 HB3 ASP 46 HB3 ASP 46 2.455 -5.333 0.193 356 H LEU 47 H LEU 47 -0.065 -5.632 -0.658 357 HA LEU 47 HA LEU 47 -0.898 -3.071 -1.404 358 HB2 LEU 47 HB2 LEU 47 -2.272 -4.412 -3.144 359 HB3 LEU 47 HB3 LEU 47 -0.531 -4.507 -3.174 360 HG LEU 47 HG LEU 47 -0.823 -6.660 -1.765 361 HD11 LEU 47 HD11 LEU 47 -3.191 -6.403 -1.272 362 HD12 LEU 47 HD12 LEU 47 -3.563 -6.475 -2.995 363 HD13 LEU 47 HD13 LEU 47 -2.879 -7.883 -2.182 364 HD21 LEU 47 HD21 LEU 47 -1.625 -6.565 -4.664 365 HD22 LEU 47 HD22 LEU 47 0.022 -6.627 -4.033 366 HD23 LEU 47 HD23 LEU 47 -1.067 -7.995 -3.795 367 H ALA 48 H ALA 48 -2.709 -5.769 -0.006 368 HA ALA 48 HA ALA 48 -5.192 -4.388 0.201 369 HB1 ALA 48 HB1 ALA 48 -4.152 -6.761 1.756 370 HB2 ALA 48 HB2 ALA 48 -5.828 -6.210 1.717 371 HB3 ALA 48 HB3 ALA 48 -5.065 -6.829 0.251 372 H GLN 49 H GLN 49 -2.387 -4.787 2.188 373 HA GLN 49 HA GLN 49 -3.418 -4.051 4.670 374 HB2 GLN 49 HB2 GLN 49 -1.303 -5.204 4.448 375 HB3 GLN 49 HB3 GLN 49 -0.627 -3.890 3.520 376 HG2 GLN 49 HG2 GLN 49 0.328 -3.599 5.565 377 HG3 GLN 49 HG3 GLN 49 -1.020 -2.470 5.603 378 HE21 GLN 49 HE21 GLN 49 0.448 -3.786 7.785 379 HE22 GLN 49 HE22 GLN 49 -0.751 -4.603 8.724 380 H LEU 50 H LEU 50 -1.673 -2.239 2.244 381 HA LEU 50 HA LEU 50 -1.415 0.165 3.649 382 HB2 LEU 50 HB2 LEU 50 -1.606 -0.379 0.693 383 HB3 LEU 50 HB3 LEU 50 -1.077 1.142 1.384 384 HG LEU 50 HG LEU 50 0.375 -1.497 1.762 385 HD11 LEU 50 HD11 LEU 50 0.508 -0.704 -0.537 386 HD12 LEU 50 HD12 LEU 50 1.030 0.881 0.034 387 HD13 LEU 50 HD13 LEU 50 2.056 -0.530 0.292 388 HD21 LEU 50 HD21 LEU 50 1.141 1.307 2.522 389 HD22 LEU 50 HD22 LEU 50 0.636 0.036 3.635 390 HD23 LEU 50 HD23 LEU 50 2.131 -0.139 2.717 391 H VAL 51 H VAL 51 -3.795 -0.724 1.173 392 HA VAL 51 HA VAL 51 -5.422 1.609 1.293 393 HB VAL 51 HB VAL 51 -5.300 -0.814 -0.071 394 HG11 VAL 51 HG11 VAL 51 -8.058 -0.325 1.010 395 HG12 VAL 51 HG12 VAL 51 -7.632 -1.469 -0.261 396 HG13 VAL 51 HG13 VAL 51 -7.037 -1.715 1.381 397 HG21 VAL 51 HG21 VAL 51 -5.427 1.375 -1.037 398 HG22 VAL 51 HG22 VAL 51 -6.768 0.391 -1.624 399 HG23 VAL 51 HG23 VAL 51 -7.045 1.604 -0.375 400 H GLU 52 H GLU 52 -5.419 -1.423 3.160 401 HA GLU 52 HA GLU 52 -7.896 -0.942 4.477 402 HB2 GLU 52 HB2 GLU 52 -7.112 -3.206 4.304 403 HB3 GLU 52 HB3 GLU 52 -5.597 -2.807 5.101 404 HG2 GLU 52 HG2 GLU 52 -6.794 -2.367 7.174 405 HG3 GLU 52 HG3 GLU 52 -8.321 -2.735 6.380 406 H GLU 53 H GLU 53 -4.496 -0.581 5.416 407 HA GLU 53 HA GLU 53 -5.017 0.092 8.129 408 HB2 GLU 53 HB2 GLU 53 -2.932 -0.938 7.408 409 HB3 GLU 53 HB3 GLU 53 -2.550 0.475 6.441 410 HG2 GLU 53 HG2 GLU 53 -1.268 0.505 8.444 411 HG3 GLU 53 HG3 GLU 53 -2.426 1.818 8.500 412 H ALA 54 H ALA 54 -4.945 1.907 5.193 413 HA ALA 54 HA ALA 54 -4.211 4.418 6.104 414 HB1 ALA 54 HB1 ALA 54 -5.436 5.317 4.223 415 HB2 ALA 54 HB2 ALA 54 -4.575 3.851 3.758 416 HB3 ALA 54 HB3 ALA 54 -6.313 3.797 4.045 417 H THR 55 H THR 55 -7.554 3.087 6.000 418 HA THR 55 HA THR 55 -8.236 5.201 7.947 419 HB THR 55 HB THR 55 -10.208 3.782 6.156 420 HG1 THR 55 HG1 THR 55 -9.925 6.221 5.313 421 HG21 THR 55 HG21 THR 55 -10.352 6.349 7.748 422 HG22 THR 55 HG22 THR 55 -11.184 4.841 8.134 423 HG23 THR 55 HG23 THR 55 -11.614 5.740 6.678 424 H GLY 56 H GLY 56 -7.724 1.901 7.697 425 HA2 GLY 56 HA2 GLY 56 -7.992 0.299 9.380 426 HA3 GLY 56 HA3 GLY 56 -9.052 1.413 10.238 427 H VAL 57 H VAL 57 -9.626 0.958 6.923 428 HA VAL 57 HA VAL 57 -12.238 -0.144 7.464 429 HB VAL 57 HB VAL 57 -12.371 1.548 5.882 430 HG11 VAL 57 HG11 VAL 57 -10.854 1.831 3.984 431 HG12 VAL 57 HG12 VAL 57 -9.987 1.838 5.520 432 HG13 VAL 57 HG13 VAL 57 -9.952 0.403 4.496 433 HG21 VAL 57 HG21 VAL 57 -12.100 -0.937 4.195 434 HG22 VAL 57 HG22 VAL 57 -13.549 -0.433 5.066 435 HG23 VAL 57 HG23 VAL 57 -12.936 0.546 3.732 436 HA PRO 58 HA PRO 58 -11.092 -4.365 6.734 437 HB2 PRO 58 HB2 PRO 58 -13.538 -5.393 6.253 438 HB3 PRO 58 HB3 PRO 58 -13.048 -4.849 7.866 439 HG2 PRO 58 HG2 PRO 58 -14.598 -3.346 5.769 440 HG3 PRO 58 HG3 PRO 58 -15.013 -3.592 7.483 441 HD2 PRO 58 HD2 PRO 58 -13.864 -1.329 6.669 442 HD3 PRO 58 HD3 PRO 58 -13.380 -2.081 8.206 443 H LEU 59 H LEU 59 -10.863 -5.871 5.172 444 HA LEU 59 HA LEU 59 -10.330 -5.173 2.586 445 HB2 LEU 59 HB2 LEU 59 -11.121 -7.889 3.606 446 HB3 LEU 59 HB3 LEU 59 -10.321 -7.573 2.076 447 HG LEU 59 HG LEU 59 -9.177 -7.037 4.821 448 HD11 LEU 59 HD11 LEU 59 -9.210 -9.388 4.315 449 HD12 LEU 59 HD12 LEU 59 -8.509 -9.091 2.723 450 HD13 LEU 59 HD13 LEU 59 -7.559 -8.782 4.176 451 HD21 LEU 59 HD21 LEU 59 -7.942 -6.644 2.096 452 HD22 LEU 59 HD22 LEU 59 -8.436 -5.364 3.206 453 HD23 LEU 59 HD23 LEU 59 -7.121 -6.453 3.645 454 HA PRO 60 HA PRO 60 -14.571 -6.935 1.040 455 HB2 PRO 60 HB2 PRO 60 -16.444 -6.294 3.210 456 HB3 PRO 60 HB3 PRO 60 -16.279 -7.779 2.268 457 HG2 PRO 60 HG2 PRO 60 -15.527 -7.674 4.820 458 HG3 PRO 60 HG3 PRO 60 -14.606 -8.614 3.634 459 HD2 PRO 60 HD2 PRO 60 -14.045 -5.879 4.731 460 HD3 PRO 60 HD3 PRO 60 -12.927 -7.237 4.519 461 H PHE 61 H PHE 61 -14.200 -4.075 2.976 462 HA PHE 61 HA PHE 61 -16.323 -2.678 1.554 463 HB2 PHE 61 HB2 PHE 61 -14.741 -2.172 4.003 464 HB3 PHE 61 HB3 PHE 61 -15.275 -0.757 3.098 465 HD1 PHE 61 HD1 PHE 61 -17.686 -0.348 2.776 466 HD2 PHE 61 HD2 PHE 61 -16.265 -3.514 5.234 467 HE1 PHE 61 HE1 PHE 61 -19.908 -0.533 3.812 468 HE2 PHE 61 HE2 PHE 61 -18.484 -3.708 6.274 469 HZ PHE 61 HZ PHE 61 -20.310 -2.214 5.566 470 H GLN 62 H GLN 62 -12.914 -3.045 1.384 471 HA GLN 62 HA GLN 62 -12.802 -0.688 -0.363 472 HB2 GLN 62 HB2 GLN 62 -10.396 -0.610 0.037 473 HB3 GLN 62 HB3 GLN 62 -11.266 -0.417 1.529 474 HG2 GLN 62 HG2 GLN 62 -10.872 -3.124 1.425 475 HG3 GLN 62 HG3 GLN 62 -9.415 -2.489 0.661 476 HE21 GLN 62 HE21 GLN 62 -9.603 -3.879 3.127 477 HE22 GLN 62 HE22 GLN 62 -9.045 -2.807 4.365 478 H LYS 63 H LYS 63 -12.631 -1.123 -2.455 479 HA LYS 63 HA LYS 63 -11.339 -3.610 -3.269 480 HB2 LYS 63 HB2 LYS 63 -12.844 -1.504 -4.835 481 HB3 LYS 63 HB3 LYS 63 -12.002 -2.849 -5.592 482 HG2 LYS 63 HG2 LYS 63 -13.435 -4.432 -4.453 483 HG3 LYS 63 HG3 LYS 63 -14.245 -3.115 -3.600 484 HD2 LYS 63 HD2 LYS 63 -15.086 -2.234 -5.693 485 HD3 LYS 63 HD3 LYS 63 -14.194 -3.459 -6.597 486 HE2 LYS 63 HE2 LYS 63 -16.571 -4.027 -6.376 487 HE3 LYS 63 HE3 LYS 63 -15.531 -5.217 -5.593 488 HZ1 LYS 63 HZ1 LYS 63 -16.049 -4.290 -3.466 489 HZ2 LYS 63 HZ2 LYS 63 -17.509 -4.584 -4.275 490 HZ3 LYS 63 HZ3 LYS 63 -16.909 -3.003 -4.166 491 H LEU 64 H LEU 64 -9.208 -3.202 -2.773 492 HA LEU 64 HA LEU 64 -7.957 -0.735 -3.525 493 HB2 LEU 64 HB2 LEU 64 -7.112 -1.722 -1.526 494 HB3 LEU 64 HB3 LEU 64 -7.000 -3.299 -2.288 495 HG LEU 64 HG LEU 64 -4.851 -1.954 -1.734 496 HD11 LEU 64 HD11 LEU 64 -5.199 -3.208 -4.449 497 HD12 LEU 64 HD12 LEU 64 -3.658 -2.899 -3.650 498 HD13 LEU 64 HD13 LEU 64 -4.798 -4.049 -2.951 499 HD21 LEU 64 HD21 LEU 64 -5.523 0.132 -2.790 500 HD22 LEU 64 HD22 LEU 64 -4.048 -0.511 -3.514 501 HD23 LEU 64 HD23 LEU 64 -5.589 -0.678 -4.356 502 H ILE 65 H ILE 65 -7.416 -0.279 -5.436 503 HA ILE 65 HA ILE 65 -6.209 -2.318 -7.204 504 HB ILE 65 HB ILE 65 -7.753 0.161 -7.937 505 HG12 ILE 65 HG12 ILE 65 -8.605 -2.741 -8.187 506 HG13 ILE 65 HG13 ILE 65 -9.221 -1.598 -6.998 507 HG21 ILE 65 HG21 ILE 65 -6.624 -2.054 -9.662 508 HG22 ILE 65 HG22 ILE 65 -7.657 -0.751 -10.248 509 HG23 ILE 65 HG23 ILE 65 -6.064 -0.382 -9.588 510 HD11 ILE 65 HD11 ILE 65 -9.544 -1.386 -9.983 511 HD12 ILE 65 HD12 ILE 65 -10.780 -1.891 -8.831 512 HD13 ILE 65 HD13 ILE 65 -10.163 -0.240 -8.792 513 H PHE 66 H PHE 66 -4.071 -1.852 -6.964 514 HA PHE 66 HA PHE 66 -3.175 0.390 -8.354 515 HB2 PHE 66 HB2 PHE 66 -3.457 0.993 -5.667 516 HB3 PHE 66 HB3 PHE 66 -1.726 0.754 -5.930 517 HD1 PHE 66 HD1 PHE 66 -1.185 1.703 -8.563 518 HD2 PHE 66 HD2 PHE 66 -3.953 3.242 -5.724 519 HE1 PHE 66 HE1 PHE 66 -1.013 3.925 -9.605 520 HE2 PHE 66 HE2 PHE 66 -3.791 5.464 -6.764 521 HZ PHE 66 HZ PHE 66 -2.378 5.751 -8.835 522 H LYS 67 H LYS 67 -0.982 0.320 -8.896 523 HA LYS 67 HA LYS 67 0.978 -0.660 -9.445 524 HB2 LYS 67 HB2 LYS 67 1.459 -2.777 -7.630 525 HB3 LYS 67 HB3 LYS 67 2.168 -1.176 -7.614 526 HG2 LYS 67 HG2 LYS 67 0.428 -0.427 -6.057 527 HG3 LYS 67 HG3 LYS 67 -0.310 -2.050 -6.090 528 HD2 LYS 67 HD2 LYS 67 1.936 -2.926 -5.287 529 HD3 LYS 67 HD3 LYS 67 2.448 -1.254 -5.071 530 HE2 LYS 67 HE2 LYS 67 0.286 -1.078 -3.620 531 HE3 LYS 67 HE3 LYS 67 0.419 -2.836 -3.543 532 HZ1 LYS 67 HZ1 LYS 67 2.379 -0.829 -2.581 533 HZ2 LYS 67 HZ2 LYS 67 2.771 -2.460 -2.770 534 HZ3 LYS 67 HZ3 LYS 67 1.569 -2.007 -1.671 535 H GLY 68 H GLY 68 -1.520 -1.570 -10.413 536 HA2 GLY 68 HA2 GLY 68 -2.450 -3.238 -11.649 537 HA3 GLY 68 HA3 GLY 68 -0.841 -3.941 -11.771 538 H LYS 69 H LYS 69 -1.972 -3.390 -8.657 539 HA LYS 69 HA LYS 69 -2.527 -6.256 -8.317 540 HB2 LYS 69 HB2 LYS 69 -1.302 -4.373 -6.297 541 HB3 LYS 69 HB3 LYS 69 -1.465 -6.121 -6.159 542 HG2 LYS 69 HG2 LYS 69 0.065 -6.413 -8.034 543 HG3 LYS 69 HG3 LYS 69 0.228 -4.663 -8.170 544 HD2 LYS 69 HD2 LYS 69 1.919 -4.782 -6.743 545 HD3 LYS 69 HD3 LYS 69 0.763 -5.263 -5.495 546 HE2 LYS 69 HE2 LYS 69 2.671 -6.832 -5.757 547 HE3 LYS 69 HE3 LYS 69 1.090 -7.577 -5.994 548 HZ1 LYS 69 HZ1 LYS 69 2.912 -8.133 -7.650 549 HZ2 LYS 69 HZ2 LYS 69 2.680 -6.577 -8.281 550 HZ3 LYS 69 HZ3 LYS 69 1.409 -7.690 -8.286 551 H SER 70 H SER 70 -4.136 -6.826 -6.932 552 HA SER 70 HA SER 70 -5.826 -4.646 -5.968 553 HB2 SER 70 HB2 SER 70 -6.728 -6.005 -7.947 554 HB3 SER 70 HB3 SER 70 -6.862 -7.360 -6.825 555 HG SER 70 HG SER 70 -7.979 -4.879 -6.119 556 H LEU 71 H LEU 71 -7.005 -5.127 -4.003 557 HA LEU 71 HA LEU 71 -5.188 -6.291 -2.146 558 HB2 LEU 71 HB2 LEU 71 -6.522 -5.436 -0.419 559 HB3 LEU 71 HB3 LEU 71 -6.633 -4.297 -1.747 560 HG LEU 71 HG LEU 71 -8.788 -4.346 -0.897 561 HD11 LEU 71 HD11 LEU 71 -8.877 -4.591 -3.287 562 HD12 LEU 71 HD12 LEU 71 -8.828 -6.348 -3.137 563 HD13 LEU 71 HD13 LEU 71 -10.222 -5.450 -2.536 564 HD21 LEU 71 HD21 LEU 71 -8.602 -7.342 -0.687 565 HD22 LEU 71 HD22 LEU 71 -8.564 -6.182 0.639 566 HD23 LEU 71 HD23 LEU 71 -10.033 -6.383 -0.315 567 H LYS 72 H LYS 72 -5.310 -8.011 -0.807 568 HA LYS 72 HA LYS 72 -7.546 -9.665 -0.448 569 HB2 LYS 72 HB2 LYS 72 -6.760 -10.224 -2.872 570 HB3 LYS 72 HB3 LYS 72 -5.379 -10.984 -2.101 571 HG2 LYS 72 HG2 LYS 72 -6.877 -12.503 -0.901 572 HG3 LYS 72 HG3 LYS 72 -8.266 -11.747 -1.684 573 HD2 LYS 72 HD2 LYS 72 -6.000 -13.049 -3.183 574 HD3 LYS 72 HD3 LYS 72 -7.490 -13.886 -2.740 575 HE2 LYS 72 HE2 LYS 72 -8.800 -12.478 -4.107 576 HE3 LYS 72 HE3 LYS 72 -7.480 -11.327 -4.315 577 HZ1 LYS 72 HZ1 LYS 72 -7.914 -12.827 -6.249 578 HZ2 LYS 72 HZ2 LYS 72 -7.350 -14.120 -5.309 579 HZ3 LYS 72 HZ3 LYS 72 -6.317 -12.825 -5.685 580 H GLU 73 H GLU 73 -6.650 -11.896 0.566 581 HA GLU 73 HA GLU 73 -5.053 -11.409 2.781 582 HB2 GLU 73 HB2 GLU 73 -5.100 -14.074 1.357 583 HB3 GLU 73 HB3 GLU 73 -4.930 -13.773 3.078 584 HG2 GLU 73 HG2 GLU 73 -7.427 -13.267 1.477 585 HG3 GLU 73 HG3 GLU 73 -7.117 -14.694 2.464 586 H MET 74 H MET 74 -4.151 -13.128 -0.159 587 HA MET 74 HA MET 74 -1.492 -11.961 -0.145 588 HB2 MET 74 HB2 MET 74 -0.473 -14.236 -0.504 589 HB3 MET 74 HB3 MET 74 -1.082 -13.959 1.120 590 HG2 MET 74 HG2 MET 74 -3.097 -15.231 0.583 591 HG3 MET 74 HG3 MET 74 -2.483 -15.512 -1.045 592 HE1 MET 74 HE1 MET 74 -2.194 -19.043 0.564 593 HE2 MET 74 HE2 MET 74 -3.468 -17.846 0.804 594 HE3 MET 74 HE3 MET 74 -2.793 -18.102 -0.803 595 H GLU 75 H GLU 75 -1.818 -10.926 -2.060 596 HA GLU 75 HA GLU 75 -3.339 -12.311 -4.103 597 HB2 GLU 75 HB2 GLU 75 -4.081 -10.110 -3.342 598 HB3 GLU 75 HB3 GLU 75 -2.557 -9.413 -3.856 599 HG2 GLU 75 HG2 GLU 75 -4.326 -8.916 -5.430 600 HG3 GLU 75 HG3 GLU 75 -3.089 -9.929 -6.179 601 H THR 76 H THR 76 -1.100 -9.760 -4.939 602 HA THR 76 HA THR 76 -0.133 -11.608 -7.002 603 HB THR 76 HB THR 76 0.433 -9.293 -8.136 604 HG1 THR 76 HG1 THR 76 -1.877 -8.548 -6.698 605 HG21 THR 76 HG21 THR 76 -2.368 -10.408 -7.933 606 HG22 THR 76 HG22 THR 76 -1.107 -10.981 -9.025 607 HG23 THR 76 HG23 THR 76 -1.768 -9.356 -9.214 608 HA PRO 77 HA PRO 77 4.203 -11.957 -6.534 609 HB2 PRO 77 HB2 PRO 77 4.199 -9.866 -8.686 610 HB3 PRO 77 HB3 PRO 77 5.242 -11.283 -8.514 611 HG2 PRO 77 HG2 PRO 77 3.023 -11.279 -10.073 612 HG3 PRO 77 HG3 PRO 77 3.627 -12.731 -9.256 613 HD2 PRO 77 HD2 PRO 77 1.172 -11.278 -8.775 614 HD3 PRO 77 HD3 PRO 77 1.724 -12.794 -8.037 615 H LEU 78 H LEU 78 5.412 -11.219 -5.016 616 HA LEU 78 HA LEU 78 4.926 -8.800 -3.671 617 HB2 LEU 78 HB2 LEU 78 7.110 -10.832 -3.328 618 HB3 LEU 78 HB3 LEU 78 6.803 -9.515 -2.215 619 HG LEU 78 HG LEU 78 4.413 -10.505 -2.132 620 HD11 LEU 78 HD11 LEU 78 4.689 -12.132 -3.915 621 HD12 LEU 78 HD12 LEU 78 5.988 -12.916 -3.018 622 HD13 LEU 78 HD13 LEU 78 4.344 -12.939 -2.385 623 HD21 LEU 78 HD21 LEU 78 6.732 -11.892 -0.799 624 HD22 LEU 78 HD22 LEU 78 5.945 -10.416 -0.239 625 HD23 LEU 78 HD23 LEU 78 5.053 -11.937 -0.260 626 H SER 79 H SER 79 7.555 -9.679 -5.889 627 HA SER 79 HA SER 79 9.189 -7.461 -5.348 628 HB2 SER 79 HB2 SER 79 9.981 -9.323 -6.728 629 HB3 SER 79 HB3 SER 79 8.800 -8.930 -7.974 630 HG SER 79 HG SER 79 11.252 -7.818 -7.459 631 H ALA 80 H ALA 80 6.426 -7.872 -7.414 632 HA ALA 80 HA ALA 80 6.484 -5.211 -8.488 633 HB1 ALA 80 HB1 ALA 80 4.317 -7.298 -8.584 634 HB2 ALA 80 HB2 ALA 80 4.390 -5.825 -9.554 635 HB3 ALA 80 HB3 ALA 80 5.603 -7.088 -9.773 636 H LEU 81 H LEU 81 5.902 -6.154 -5.464 637 HA LEU 81 HA LEU 81 3.268 -5.216 -4.935 638 HB2 LEU 81 HB2 LEU 81 4.965 -6.862 -3.686 639 HB3 LEU 81 HB3 LEU 81 5.152 -5.449 -2.676 640 HG LEU 81 HG LEU 81 3.507 -6.677 -1.578 641 HD11 LEU 81 HD11 LEU 81 1.911 -4.940 -3.456 642 HD12 LEU 81 HD12 LEU 81 1.355 -5.591 -1.915 643 HD13 LEU 81 HD13 LEU 81 2.672 -4.421 -1.954 644 HD21 LEU 81 HD21 LEU 81 3.298 -8.402 -3.286 645 HD22 LEU 81 HD22 LEU 81 1.722 -7.903 -2.671 646 HD23 LEU 81 HD23 LEU 81 2.273 -7.336 -4.247 647 H GLY 82 H GLY 82 5.316 -3.137 -6.035 648 HA2 GLY 82 HA2 GLY 82 4.935 -0.765 -5.578 649 HA3 GLY 82 HA3 GLY 82 4.682 -1.201 -3.914 650 H MET 83 H MET 83 7.514 -2.241 -5.870 651 HA MET 83 HA MET 83 9.267 -1.231 -3.865 652 HB2 MET 83 HB2 MET 83 11.065 -1.606 -5.618 653 HB3 MET 83 HB3 MET 83 10.111 -3.015 -5.187 654 HG2 MET 83 HG2 MET 83 8.863 -2.886 -7.210 655 HG3 MET 83 HG3 MET 83 9.560 -1.315 -7.603 656 HE1 MET 83 HE1 MET 83 12.130 -5.150 -7.456 657 HE2 MET 83 HE2 MET 83 11.639 -4.234 -6.029 658 HE3 MET 83 HE3 MET 83 10.435 -5.115 -6.969 659 H GLN 84 H GLN 84 8.395 0.830 -3.656 660 HA GLN 84 HA GLN 84 10.312 2.710 -4.506 661 HB2 GLN 84 HB2 GLN 84 8.636 4.441 -5.283 662 HB3 GLN 84 HB3 GLN 84 9.081 3.232 -6.458 663 HG2 GLN 84 HG2 GLN 84 6.947 2.013 -5.653 664 HG3 GLN 84 HG3 GLN 84 6.509 3.589 -4.993 665 HE21 GLN 84 HE21 GLN 84 6.192 5.331 -6.433 666 HE22 GLN 84 HE22 GLN 84 5.876 5.070 -8.110 667 H ASN 85 H ASN 85 9.491 4.924 -3.150 668 HA ASN 85 HA ASN 85 8.923 3.953 -0.554 669 HB2 ASN 85 HB2 ASN 85 8.037 6.267 -0.013 670 HB3 ASN 85 HB3 ASN 85 9.670 6.256 -0.689 671 HD21 ASN 85 HD21 ASN 85 7.572 8.347 -0.637 672 HD22 ASN 85 HD22 ASN 85 7.367 8.821 -2.287 673 H GLY 86 H GLY 86 7.302 2.669 -0.233 674 HA2 GLY 86 HA2 GLY 86 5.275 1.787 -0.012 675 HA3 GLY 86 HA3 GLY 86 4.663 3.434 0.027 676 H CYS 87 H CYS 87 5.633 3.718 -2.877 677 HA CYS 87 HA CYS 87 4.682 3.653 -4.938 678 HB2 CYS 87 HB2 CYS 87 4.921 1.151 -4.466 679 HB3 CYS 87 HB3 CYS 87 3.197 1.189 -4.120 680 HG CYS 87 HG CYS 87 4.508 0.579 -6.937 681 H ARG 88 H ARG 88 1.919 2.362 -5.263 682 HA ARG 88 HA ARG 88 0.337 4.370 -3.820 683 HB2 ARG 88 HB2 ARG 88 -0.121 3.690 -6.729 684 HB3 ARG 88 HB3 ARG 88 -0.903 4.953 -5.791 685 HG2 ARG 88 HG2 ARG 88 0.575 6.206 -6.971 686 HG3 ARG 88 HG3 ARG 88 1.568 5.838 -5.559 687 HD2 ARG 88 HD2 ARG 88 3.013 5.359 -7.302 688 HD3 ARG 88 HD3 ARG 88 2.322 3.774 -6.951 689 HE ARG 88 HE ARG 88 1.040 5.360 -9.044 690 HH11 ARG 88 HH11 ARG 88 3.166 2.708 -8.190 691 HH12 ARG 88 HH12 ARG 88 3.154 2.013 -9.779 692 HH21 ARG 88 HH21 ARG 88 1.005 4.424 -11.148 693 HH22 ARG 88 HH22 ARG 88 1.921 2.970 -11.447 694 H VAL 89 H VAL 89 -1.788 3.726 -3.340 695 HA VAL 89 HA VAL 89 -2.878 1.232 -4.365 696 HB VAL 89 HB VAL 89 -3.525 0.515 -2.006 697 HG11 VAL 89 HG11 VAL 89 -0.619 0.321 -2.769 698 HG12 VAL 89 HG12 VAL 89 -1.457 -0.725 -1.624 699 HG13 VAL 89 HG13 VAL 89 -1.918 -0.734 -3.326 700 HG21 VAL 89 HG21 VAL 89 -2.904 2.565 -0.846 701 HG22 VAL 89 HG22 VAL 89 -2.047 1.173 -0.183 702 HG23 VAL 89 HG23 VAL 89 -1.211 2.293 -1.258 703 H MET 90 H MET 90 -4.825 1.930 -5.076 704 HA MET 90 HA MET 90 -6.276 3.527 -3.091 705 HB2 MET 90 HB2 MET 90 -6.434 5.219 -4.374 706 HB3 MET 90 HB3 MET 90 -5.649 4.379 -5.705 707 HG2 MET 90 HG2 MET 90 -8.578 4.064 -5.147 708 HG3 MET 90 HG3 MET 90 -7.970 5.430 -6.074 709 HE1 MET 90 HE1 MET 90 -6.439 3.692 -9.218 710 HE2 MET 90 HE2 MET 90 -6.837 5.229 -8.451 711 HE3 MET 90 HE3 MET 90 -5.602 4.187 -7.747 712 H LEU 91 H LEU 91 -8.174 3.060 -2.549 713 HA LEU 91 HA LEU 91 -9.320 0.649 -3.721 714 HB2 LEU 91 HB2 LEU 91 -10.319 0.144 -1.594 715 HB3 LEU 91 HB3 LEU 91 -8.595 0.319 -1.422 716 HG LEU 91 HG LEU 91 -9.398 1.298 0.506 717 HD11 LEU 91 HD11 LEU 91 -7.874 2.846 -0.505 718 HD12 LEU 91 HD12 LEU 91 -9.188 3.606 -1.404 719 HD13 LEU 91 HD13 LEU 91 -9.142 3.721 0.355 720 HD21 LEU 91 HD21 LEU 91 -11.603 2.604 -1.081 721 HD22 LEU 91 HD22 LEU 91 -11.759 1.209 -0.014 722 HD23 LEU 91 HD23 LEU 91 -11.337 2.786 0.653 723 H ILE 92 H ILE 92 -11.265 0.721 -4.590 724 HA ILE 92 HA ILE 92 -12.783 3.154 -4.010 725 HB ILE 92 HB ILE 92 -13.082 1.435 -6.485 726 HG12 ILE 92 HG12 ILE 92 -11.690 4.109 -6.177 727 HG13 ILE 92 HG13 ILE 92 -10.876 2.565 -6.400 728 HG21 ILE 92 HG21 ILE 92 -14.383 3.346 -7.327 729 HG22 ILE 92 HG22 ILE 92 -15.099 2.645 -5.876 730 HG23 ILE 92 HG23 ILE 92 -14.187 4.151 -5.772 731 HD11 ILE 92 HD11 ILE 92 -10.991 3.845 -8.470 732 HD12 ILE 92 HD12 ILE 92 -11.881 2.329 -8.592 733 HD13 ILE 92 HD13 ILE 92 -12.751 3.846 -8.372 734 H GLY 93 H GLY 93 -14.274 2.850 -2.695 735 HA2 GLY 93 HA2 GLY 93 -16.508 1.261 -2.988 736 HA3 GLY 93 HA3 GLY 93 -15.391 0.360 -1.957 737 H GLU 94 H GLU 94 -14.917 1.097 0.082 738 HA GLU 94 HA GLU 94 -15.909 3.708 0.922 739 HB2 GLU 94 HB2 GLU 94 -16.769 1.068 2.080 740 HB3 GLU 94 HB3 GLU 94 -16.804 2.536 3.043 741 HG2 GLU 94 HG2 GLU 94 -18.284 2.130 0.453 742 HG3 GLU 94 HG3 GLU 94 -18.983 1.946 2.061 743 H LYS 95 H LYS 95 -14.499 4.658 2.351 744 HA LYS 95 HA LYS 95 -12.390 3.014 3.546 745 HB2 LYS 95 HB2 LYS 95 -12.804 5.978 3.202 746 HB3 LYS 95 HB3 LYS 95 -11.679 5.376 4.398 747 HG2 LYS 95 HG2 LYS 95 -11.499 4.706 1.472 748 HG3 LYS 95 HG3 LYS 95 -10.662 6.062 2.217 749 HD2 LYS 95 HD2 LYS 95 -9.888 4.059 3.846 750 HD3 LYS 95 HD3 LYS 95 -10.079 3.184 2.323 751 HE2 LYS 95 HE2 LYS 95 -7.842 3.928 2.280 752 HE3 LYS 95 HE3 LYS 95 -8.718 5.091 1.260 753 HZ1 LYS 95 HZ1 LYS 95 -7.211 6.202 2.782 754 HZ2 LYS 95 HZ2 LYS 95 -7.998 5.510 4.113 755 HZ3 LYS 95 HZ3 LYS 95 -8.821 6.611 3.127 756 H SER 96 H SER 96 -14.353 2.055 4.702 757 HA SER 96 HA SER 96 -15.886 3.594 6.495 758 HB2 SER 96 HB2 SER 96 -15.411 0.608 6.473 759 HB3 SER 96 HB3 SER 96 -16.732 1.445 7.288 760 HG SER 96 HG SER 96 -17.201 2.297 5.071 761 H ASN 97 H ASN 97 -15.816 3.862 8.659 762 HA ASN 97 HA ASN 97 -13.380 3.005 10.063 763 HB2 ASN 97 HB2 ASN 97 -15.313 5.267 10.633 764 HB3 ASN 97 HB3 ASN 97 -14.028 4.785 11.732 765 HD21 ASN 97 HD21 ASN 97 -14.785 6.284 8.687 766 HD22 ASN 97 HD22 ASN 97 -13.231 6.993 8.423 Start of MODEL 12 1 H1 MET 1 H1 MET 1 10.546 15.464 -8.665 2 H2 MET 1 H2 MET 1 10.200 17.007 -8.057 3 H3 MET 1 H3 MET 1 9.074 16.211 -9.041 4 HA MET 1 HA MET 1 9.942 15.294 -6.362 5 HB2 MET 1 HB2 MET 1 7.382 16.626 -7.282 6 HB3 MET 1 HB3 MET 1 7.615 15.902 -5.697 7 HG2 MET 1 HG2 MET 1 9.330 17.505 -5.165 8 HG3 MET 1 HG3 MET 1 9.249 18.177 -6.792 9 HE1 MET 1 HE1 MET 1 7.262 19.608 -7.716 10 HE2 MET 1 HE2 MET 1 6.151 18.277 -7.396 11 HE3 MET 1 HE3 MET 1 5.762 19.905 -6.839 12 H ALA 2 H ALA 2 10.209 13.154 -6.941 13 HA ALA 2 HA ALA 2 7.971 11.872 -8.366 14 HB1 ALA 2 HB1 ALA 2 9.605 10.275 -9.223 15 HB2 ALA 2 HB2 ALA 2 10.036 11.930 -9.654 16 HB3 ALA 2 HB3 ALA 2 10.886 11.111 -8.344 17 H LYS 3 H LYS 3 7.334 9.809 -7.785 18 HA LYS 3 HA LYS 3 7.837 9.012 -5.035 19 HB2 LYS 3 HB2 LYS 3 5.605 8.677 -5.464 20 HB3 LYS 3 HB3 LYS 3 5.875 8.314 -7.163 21 HG2 LYS 3 HG2 LYS 3 5.092 6.321 -6.153 22 HG3 LYS 3 HG3 LYS 3 6.820 6.105 -6.440 23 HD2 LYS 3 HD2 LYS 3 6.435 5.229 -4.317 24 HD3 LYS 3 HD3 LYS 3 7.175 6.804 -4.051 25 HE2 LYS 3 HE2 LYS 3 4.214 6.284 -3.917 26 HE3 LYS 3 HE3 LYS 3 5.297 6.224 -2.524 27 HZ1 LYS 3 HZ1 LYS 3 5.856 8.553 -2.930 28 HZ2 LYS 3 HZ2 LYS 3 4.208 8.352 -2.626 29 HZ3 LYS 3 HZ3 LYS 3 4.753 8.624 -4.210 30 H THR 4 H THR 4 8.314 7.763 -8.299 31 HA THR 4 HA THR 4 9.390 5.287 -7.775 32 HB THR 4 HB THR 4 10.419 7.101 -9.955 33 HG1 THR 4 HG1 THR 4 8.556 6.562 -11.108 34 HG21 THR 4 HG21 THR 4 9.910 4.124 -9.848 35 HG22 THR 4 HG22 THR 4 11.492 4.897 -9.746 36 HG23 THR 4 HG23 THR 4 10.546 5.015 -11.231 37 H GLU 5 H GLU 5 11.262 8.285 -8.306 38 HA GLU 5 HA GLU 5 13.622 7.061 -7.159 39 HB2 GLU 5 HB2 GLU 5 13.109 9.823 -8.268 40 HB3 GLU 5 HB3 GLU 5 14.662 9.291 -7.638 41 HG2 GLU 5 HG2 GLU 5 14.792 7.570 -9.340 42 HG3 GLU 5 HG3 GLU 5 13.204 8.034 -9.951 43 H GLU 6 H GLU 6 13.085 6.700 -5.047 44 HA GLU 6 HA GLU 6 13.339 8.895 -3.217 45 HB2 GLU 6 HB2 GLU 6 10.687 7.861 -3.895 46 HB3 GLU 6 HB3 GLU 6 11.042 7.776 -2.184 47 HG2 GLU 6 HG2 GLU 6 11.053 10.249 -3.889 48 HG3 GLU 6 HG3 GLU 6 9.844 9.773 -2.689 49 H MET 7 H MET 7 11.336 6.179 -2.553 50 HA MET 7 HA MET 7 11.402 4.592 -0.971 51 HB2 MET 7 HB2 MET 7 13.778 4.224 -2.640 52 HB3 MET 7 HB3 MET 7 13.890 3.458 -1.056 53 HG2 MET 7 HG2 MET 7 12.011 2.133 -1.423 54 HG3 MET 7 HG3 MET 7 11.471 3.112 -2.797 55 HE1 MET 7 HE1 MET 7 15.101 0.250 -2.888 56 HE2 MET 7 HE2 MET 7 15.113 1.783 -2.015 57 HE3 MET 7 HE3 MET 7 14.054 0.475 -1.487 58 H VAL 8 H VAL 8 11.893 7.136 0.021 59 HA VAL 8 HA VAL 8 12.882 6.298 2.597 60 HB VAL 8 HB VAL 8 14.215 8.580 2.741 61 HG11 VAL 8 HG11 VAL 8 15.410 6.150 1.420 62 HG12 VAL 8 HG12 VAL 8 16.294 7.412 2.277 63 HG13 VAL 8 HG13 VAL 8 15.175 6.370 3.154 64 HG21 VAL 8 HG21 VAL 8 15.467 9.068 0.679 65 HG22 VAL 8 HG22 VAL 8 14.460 7.911 -0.190 66 HG23 VAL 8 HG23 VAL 8 13.737 9.364 0.501 67 H GLN 9 H GLN 9 10.382 6.670 2.492 68 HA GLN 9 HA GLN 9 9.919 9.497 3.227 69 HB2 GLN 9 HB2 GLN 9 8.070 7.481 1.975 70 HB3 GLN 9 HB3 GLN 9 7.466 8.934 2.769 71 HG2 GLN 9 HG2 GLN 9 9.481 8.958 0.538 72 HG3 GLN 9 HG3 GLN 9 7.742 9.132 0.305 73 HE21 GLN 9 HE21 GLN 9 10.056 10.962 -0.163 74 HE22 GLN 9 HE22 GLN 9 9.625 12.423 0.662 75 H THR 10 H THR 10 8.329 6.350 4.062 76 HA THR 10 HA THR 10 8.434 7.270 6.864 77 HB THR 10 HB THR 10 6.435 5.312 5.723 78 HG1 THR 10 HG1 THR 10 4.987 7.171 6.026 79 HG21 THR 10 HG21 THR 10 6.832 5.070 8.125 80 HG22 THR 10 HG22 THR 10 5.231 5.744 7.821 81 HG23 THR 10 HG23 THR 10 6.542 6.795 8.356 82 H GLU 11 H GLU 11 9.992 6.282 7.917 83 HA GLU 11 HA GLU 11 11.036 3.728 7.093 84 HB2 GLU 11 HB2 GLU 11 12.322 5.773 7.944 85 HB3 GLU 11 HB3 GLU 11 11.804 5.284 9.548 86 HG2 GLU 11 HG2 GLU 11 12.965 3.178 9.317 87 HG3 GLU 11 HG3 GLU 11 13.425 3.589 7.662 88 H GLU 12 H GLU 12 11.258 1.879 8.436 89 HA GLU 12 HA GLU 12 9.884 1.624 10.934 90 HB2 GLU 12 HB2 GLU 12 8.022 1.463 9.250 91 HB3 GLU 12 HB3 GLU 12 8.818 0.054 8.573 92 HG2 GLU 12 HG2 GLU 12 6.918 -0.462 10.076 93 HG3 GLU 12 HG3 GLU 12 8.442 -1.207 10.553 94 H MET 13 H MET 13 9.856 -1.051 11.307 95 HA MET 13 HA MET 13 12.526 -1.517 11.854 96 HB2 MET 13 HB2 MET 13 10.323 -3.559 11.633 97 HB3 MET 13 HB3 MET 13 11.875 -3.805 12.421 98 HG2 MET 13 HG2 MET 13 9.799 -1.792 13.241 99 HG3 MET 13 HG3 MET 13 10.101 -3.340 14.026 100 HE1 MET 13 HE1 MET 13 10.345 -2.119 16.347 101 HE2 MET 13 HE2 MET 13 11.455 -0.782 16.651 102 HE3 MET 13 HE3 MET 13 10.066 -0.550 15.589 103 H GLU 14 H GLU 14 10.663 -2.926 9.114 104 HA GLU 14 HA GLU 14 13.270 -3.822 8.049 105 HB2 GLU 14 HB2 GLU 14 11.735 -5.661 8.145 106 HB3 GLU 14 HB3 GLU 14 10.451 -4.704 7.432 107 HG2 GLU 14 HG2 GLU 14 11.063 -5.922 5.619 108 HG3 GLU 14 HG3 GLU 14 12.138 -4.543 5.420 109 H THR 15 H THR 15 10.695 -1.596 7.587 110 HA THR 15 HA THR 15 10.733 -1.439 4.754 111 HB THR 15 HB THR 15 9.920 0.927 6.345 112 HG1 THR 15 HG1 THR 15 7.906 -0.832 6.446 113 HG21 THR 15 HG21 THR 15 8.581 -0.683 4.174 114 HG22 THR 15 HG22 THR 15 9.446 0.840 3.966 115 HG23 THR 15 HG23 THR 15 7.941 0.799 4.885 116 HA PRO 16 HA PRO 16 14.289 1.120 4.417 117 HB2 PRO 16 HB2 PRO 16 14.391 1.374 1.818 118 HB3 PRO 16 HB3 PRO 16 14.357 -0.242 2.543 119 HG2 PRO 16 HG2 PRO 16 12.144 1.261 1.230 120 HG3 PRO 16 HG3 PRO 16 12.581 -0.454 1.090 121 HD2 PRO 16 HD2 PRO 16 10.652 0.647 2.826 122 HD3 PRO 16 HD3 PRO 16 11.324 -1.008 2.903 123 H ARG 17 H ARG 17 12.082 2.381 5.414 124 HA ARG 17 HA ARG 17 10.897 4.283 5.610 125 HB2 ARG 17 HB2 ARG 17 13.382 5.109 5.372 126 HB3 ARG 17 HB3 ARG 17 12.841 5.690 3.804 127 HG2 ARG 17 HG2 ARG 17 11.158 7.055 4.850 128 HG3 ARG 17 HG3 ARG 17 11.587 6.414 6.436 129 HD2 ARG 17 HD2 ARG 17 13.826 7.379 6.210 130 HD3 ARG 17 HD3 ARG 17 13.380 8.029 4.630 131 HE ARG 17 HE ARG 17 11.595 8.837 6.722 132 HH11 ARG 17 HH11 ARG 17 14.649 9.544 5.188 133 HH12 ARG 17 HH12 ARG 17 14.613 11.235 5.592 134 HH21 ARG 17 HH21 ARG 17 11.526 11.055 7.259 135 HH22 ARG 17 HH22 ARG 17 12.849 12.083 6.793 136 H LEU 18 H LEU 18 9.321 3.075 4.288 137 HA LEU 18 HA LEU 18 9.023 4.254 1.603 138 HB2 LEU 18 HB2 LEU 18 9.029 1.496 2.496 139 HB3 LEU 18 HB3 LEU 18 7.587 1.927 1.607 140 HG LEU 18 HG LEU 18 8.809 2.507 -0.328 141 HD11 LEU 18 HD11 LEU 18 11.262 2.451 -0.383 142 HD12 LEU 18 HD12 LEU 18 10.624 3.702 0.686 143 HD13 LEU 18 HD13 LEU 18 11.271 2.207 1.362 144 HD21 LEU 18 HD21 LEU 18 9.952 0.434 -0.866 145 HD22 LEU 18 HD22 LEU 18 10.021 0.013 0.845 146 HD23 LEU 18 HD23 LEU 18 8.462 0.112 0.025 147 H SER 19 H SER 19 7.359 5.534 1.440 148 HA SER 19 HA SER 19 4.944 4.987 3.016 149 HB2 SER 19 HB2 SER 19 5.955 6.971 3.813 150 HB3 SER 19 HB3 SER 19 6.260 7.546 2.157 151 HG SER 19 HG SER 19 4.036 7.818 3.731 152 H VAL 20 H VAL 20 3.238 4.559 1.901 153 HA VAL 20 HA VAL 20 3.199 5.048 -0.985 154 HB VAL 20 HB VAL 20 2.628 2.894 -1.095 155 HG11 VAL 20 HG11 VAL 20 2.241 1.501 0.881 156 HG12 VAL 20 HG12 VAL 20 3.667 2.525 1.054 157 HG13 VAL 20 HG13 VAL 20 2.167 2.954 1.879 158 HG21 VAL 20 HG21 VAL 20 0.159 3.666 0.451 159 HG22 VAL 20 HG22 VAL 20 0.359 3.745 -1.299 160 HG23 VAL 20 HG23 VAL 20 0.369 2.183 -0.480 161 H ILE 21 H ILE 21 1.294 5.805 -1.954 162 HA ILE 21 HA ILE 21 -0.286 7.504 -0.163 163 HB ILE 21 HB ILE 21 -1.099 8.079 -2.745 164 HG12 ILE 21 HG12 ILE 21 1.903 7.797 -2.764 165 HG13 ILE 21 HG13 ILE 21 0.828 6.586 -3.448 166 HG21 ILE 21 HG21 ILE 21 1.072 9.383 -1.101 167 HG22 ILE 21 HG22 ILE 21 0.202 10.137 -2.438 168 HG23 ILE 21 HG23 ILE 21 -0.660 9.687 -0.965 169 HD11 ILE 21 HD11 ILE 21 -0.041 8.255 -5.009 170 HD12 ILE 21 HD12 ILE 21 1.033 9.466 -4.310 171 HD13 ILE 21 HD13 ILE 21 1.707 8.076 -5.161 172 H VAL 22 H VAL 22 -2.138 6.718 0.554 173 HA VAL 22 HA VAL 22 -3.623 4.790 -1.117 174 HB VAL 22 HB VAL 22 -3.953 5.274 1.846 175 HG11 VAL 22 HG11 VAL 22 -5.909 4.346 0.751 176 HG12 VAL 22 HG12 VAL 22 -4.928 3.052 0.061 177 HG13 VAL 22 HG13 VAL 22 -5.156 3.152 1.808 178 HG21 VAL 22 HG21 VAL 22 -2.383 3.117 0.449 179 HG22 VAL 22 HG22 VAL 22 -1.720 4.426 1.428 180 HG23 VAL 22 HG23 VAL 22 -2.723 3.183 2.177 181 H THR 23 H THR 23 -5.428 5.564 -2.057 182 HA THR 23 HA THR 23 -6.827 7.708 -0.627 183 HB THR 23 HB THR 23 -5.555 8.808 -2.353 184 HG1 THR 23 HG1 THR 23 -7.370 9.732 -3.543 185 HG21 THR 23 HG21 THR 23 -5.259 6.954 -3.902 186 HG22 THR 23 HG22 THR 23 -5.931 8.359 -4.730 187 HG23 THR 23 HG23 THR 23 -6.975 7.002 -4.305 188 H HIS 24 H HIS 24 -8.990 7.994 -1.088 189 HA HIS 24 HA HIS 24 -10.447 6.011 -2.680 190 HB2 HIS 24 HB2 HIS 24 -10.727 4.939 -0.616 191 HB3 HIS 24 HB3 HIS 24 -10.645 6.440 0.293 192 HD1 HIS 24 HD1 HIS 24 -12.788 7.103 1.295 193 HD2 HIS 24 HD2 HIS 24 -13.329 4.868 -2.186 194 HE1 HIS 24 HE1 HIS 24 -15.277 6.837 1.028 195 HE2 HIS 24 HE2 HIS 24 -15.586 5.609 -1.148 196 H SER 25 H SER 25 -11.438 7.387 -4.082 197 HA SER 25 HA SER 25 -12.576 9.144 -4.960 198 HB2 SER 25 HB2 SER 25 -14.203 8.681 -3.127 199 HB3 SER 25 HB3 SER 25 -13.334 9.825 -2.107 200 HG SER 25 HG SER 25 -15.193 10.713 -3.195 201 H ASN 26 H ASN 26 -10.659 9.920 -2.118 202 HA ASN 26 HA ASN 26 -8.961 11.792 -3.246 203 HB2 ASN 26 HB2 ASN 26 -10.913 13.269 -3.508 204 HB3 ASN 26 HB3 ASN 26 -11.311 13.068 -1.806 205 HD21 ASN 26 HD21 ASN 26 -9.133 14.530 -4.085 206 HD22 ASN 26 HD22 ASN 26 -8.422 15.664 -2.980 207 H GLU 27 H GLU 27 -10.861 10.862 -0.490 208 HA GLU 27 HA GLU 27 -9.388 11.507 1.698 209 HB2 GLU 27 HB2 GLU 27 -11.516 10.370 1.779 210 HB3 GLU 27 HB3 GLU 27 -10.821 8.931 1.060 211 HG2 GLU 27 HG2 GLU 27 -9.481 8.572 3.056 212 HG3 GLU 27 HG3 GLU 27 -10.144 10.044 3.773 213 H ARG 28 H ARG 28 -7.284 11.343 2.017 214 HA ARG 28 HA ARG 28 -5.859 8.987 0.981 215 HB2 ARG 28 HB2 ARG 28 -5.477 10.916 -0.483 216 HB3 ARG 28 HB3 ARG 28 -4.950 11.872 0.893 217 HG2 ARG 28 HG2 ARG 28 -2.909 11.269 0.169 218 HG3 ARG 28 HG3 ARG 28 -3.247 9.812 1.106 219 HD2 ARG 28 HD2 ARG 28 -2.413 9.194 -1.073 220 HD3 ARG 28 HD3 ARG 28 -4.113 8.737 -0.938 221 HE ARG 28 HE ARG 28 -4.199 11.227 -2.048 222 HH11 ARG 28 HH11 ARG 28 -2.640 8.219 -2.961 223 HH12 ARG 28 HH12 ARG 28 -2.624 8.598 -4.655 224 HH21 ARG 28 HH21 ARG 28 -4.170 11.725 -4.250 225 HH22 ARG 28 HH22 ARG 28 -3.503 10.593 -5.389 226 H TYR 29 H TYR 29 -4.717 7.967 2.441 227 HA TYR 29 HA TYR 29 -3.420 9.518 4.580 228 HB2 TYR 29 HB2 TYR 29 -5.250 7.879 5.354 229 HB3 TYR 29 HB3 TYR 29 -4.178 6.597 4.803 230 HD1 TYR 29 HD1 TYR 29 -4.513 9.369 7.235 231 HD2 TYR 29 HD2 TYR 29 -2.337 5.890 6.117 232 HE1 TYR 29 HE1 TYR 29 -3.345 9.415 9.399 233 HE2 TYR 29 HE2 TYR 29 -1.164 5.922 8.280 234 HH TYR 29 HH TYR 29 -2.161 7.858 10.898 235 H ASP 30 H ASP 30 -1.189 9.290 4.573 236 HA ASP 30 HA ASP 30 -0.097 7.612 2.482 237 HB2 ASP 30 HB2 ASP 30 1.956 8.677 2.809 238 HB3 ASP 30 HB3 ASP 30 0.792 9.941 3.171 239 H LEU 31 H LEU 31 0.562 5.662 2.714 240 HA LEU 31 HA LEU 31 0.340 4.423 5.375 241 HB2 LEU 31 HB2 LEU 31 -1.084 3.974 3.035 242 HB3 LEU 31 HB3 LEU 31 0.103 2.673 3.044 243 HG LEU 31 HG LEU 31 -2.134 2.105 4.070 244 HD11 LEU 31 HD11 LEU 31 0.274 1.940 5.902 245 HD12 LEU 31 HD12 LEU 31 -1.175 0.941 6.000 246 HD13 LEU 31 HD13 LEU 31 -0.110 0.815 4.600 247 HD21 LEU 31 HD21 LEU 31 -2.514 4.271 5.148 248 HD22 LEU 31 HD22 LEU 31 -2.583 2.949 6.314 249 HD23 LEU 31 HD23 LEU 31 -1.154 3.980 6.233 250 H LEU 32 H LEU 32 1.787 2.454 5.679 251 HA LEU 32 HA LEU 32 4.293 3.029 4.249 252 HB2 LEU 32 HB2 LEU 32 4.842 3.681 6.354 253 HB3 LEU 32 HB3 LEU 32 3.727 2.553 7.123 254 HG LEU 32 HG LEU 32 6.181 1.457 5.793 255 HD11 LEU 32 HD11 LEU 32 7.459 1.832 7.838 256 HD12 LEU 32 HD12 LEU 32 6.995 3.359 7.090 257 HD13 LEU 32 HD13 LEU 32 6.125 2.771 8.507 258 HD21 LEU 32 HD21 LEU 32 4.515 -0.065 6.744 259 HD22 LEU 32 HD22 LEU 32 6.030 -0.143 7.644 260 HD23 LEU 32 HD23 LEU 32 4.656 0.747 8.303 261 H VAL 33 H VAL 33 5.398 1.425 3.360 262 HA VAL 33 HA VAL 33 3.947 -0.868 2.603 263 HB VAL 33 HB VAL 33 6.436 0.398 1.815 264 HG11 VAL 33 HG11 VAL 33 7.666 -1.595 1.085 265 HG12 VAL 33 HG12 VAL 33 7.571 -1.495 2.844 266 HG13 VAL 33 HG13 VAL 33 6.529 -2.617 1.966 267 HG21 VAL 33 HG21 VAL 33 4.672 -1.648 0.482 268 HG22 VAL 33 HG22 VAL 33 4.480 0.104 0.401 269 HG23 VAL 33 HG23 VAL 33 5.898 -0.662 -0.314 270 H THR 34 H THR 34 4.544 -3.133 2.953 271 HA THR 34 HA THR 34 4.539 -3.318 5.833 272 HB THR 34 HB THR 34 4.104 -5.517 3.801 273 HG1 THR 34 HG1 THR 34 2.679 -3.604 3.609 274 HG21 THR 34 HG21 THR 34 4.482 -6.303 6.091 275 HG22 THR 34 HG22 THR 34 2.807 -6.563 5.604 276 HG23 THR 34 HG23 THR 34 3.214 -5.223 6.676 277 HA PRO 35 HA PRO 35 8.800 -4.469 6.078 278 HB2 PRO 35 HB2 PRO 35 8.747 -4.954 8.757 279 HB3 PRO 35 HB3 PRO 35 8.840 -3.338 8.056 280 HG2 PRO 35 HG2 PRO 35 6.449 -4.802 9.106 281 HG3 PRO 35 HG3 PRO 35 6.914 -3.106 9.335 282 HD2 PRO 35 HD2 PRO 35 5.044 -3.841 7.549 283 HD3 PRO 35 HD3 PRO 35 6.148 -2.483 7.251 284 H GLN 36 H GLN 36 10.054 -6.263 6.783 285 HA GLN 36 HA GLN 36 10.623 -8.431 6.874 286 HB2 GLN 36 HB2 GLN 36 7.722 -8.884 7.566 287 HB3 GLN 36 HB3 GLN 36 8.923 -10.168 7.492 288 HG2 GLN 36 HG2 GLN 36 10.230 -9.010 9.228 289 HG3 GLN 36 HG3 GLN 36 8.962 -7.789 9.334 290 HE21 GLN 36 HE21 GLN 36 9.981 -9.651 11.350 291 HE22 GLN 36 HE22 GLN 36 8.617 -10.562 11.887 292 H GLN 37 H GLN 37 11.101 -8.066 4.703 293 HA GLN 37 HA GLN 37 10.033 -9.990 2.920 294 HB2 GLN 37 HB2 GLN 37 8.619 -7.538 2.802 295 HB3 GLN 37 HB3 GLN 37 9.745 -7.503 1.453 296 HG2 GLN 37 HG2 GLN 37 7.537 -9.455 1.980 297 HG3 GLN 37 HG3 GLN 37 7.818 -8.446 0.554 298 HE21 GLN 37 HE21 GLN 37 9.374 -9.059 -0.938 299 HE22 GLN 37 HE22 GLN 37 10.021 -10.671 -1.002 300 H GLY 38 H GLY 38 11.919 -7.064 3.393 301 HA2 GLY 38 HA2 GLY 38 14.301 -7.349 2.469 302 HA3 GLY 38 HA3 GLY 38 13.452 -7.611 0.939 303 H ASN 39 H ASN 39 11.398 -5.765 2.265 304 HA ASN 39 HA ASN 39 10.795 -3.660 2.579 305 HB2 ASN 39 HB2 ASN 39 12.271 -1.942 3.238 306 HB3 ASN 39 HB3 ASN 39 12.841 -3.440 3.957 307 HD21 ASN 39 HD21 ASN 39 14.874 -2.787 4.302 308 HD22 ASN 39 HD22 ASN 39 16.013 -2.404 3.053 309 H SER 40 H SER 40 12.799 -4.460 -0.055 310 HA SER 40 HA SER 40 11.889 -2.123 -1.530 311 HB2 SER 40 HB2 SER 40 13.651 -4.396 -2.442 312 HB3 SER 40 HB3 SER 40 13.421 -2.827 -3.248 313 HG SER 40 HG SER 40 14.196 -2.578 -0.633 314 H GLU 41 H GLU 41 10.929 -5.321 -0.913 315 HA GLU 41 HA GLU 41 9.083 -5.230 -3.182 316 HB2 GLU 41 HB2 GLU 41 10.630 -7.702 -2.350 317 HB3 GLU 41 HB3 GLU 41 9.446 -7.604 -3.645 318 HG2 GLU 41 HG2 GLU 41 10.875 -6.374 -5.020 319 HG3 GLU 41 HG3 GLU 41 11.936 -5.938 -3.679 320 HA PRO 42 HA PRO 42 7.029 -5.649 0.889 321 HB2 PRO 42 HB2 PRO 42 4.697 -4.899 -0.776 322 HB3 PRO 42 HB3 PRO 42 5.284 -4.192 0.733 323 HG2 PRO 42 HG2 PRO 42 5.609 -2.929 -1.586 324 HG3 PRO 42 HG3 PRO 42 6.871 -2.893 -0.341 325 HD2 PRO 42 HD2 PRO 42 6.727 -4.510 -2.853 326 HD3 PRO 42 HD3 PRO 42 8.119 -3.687 -2.119 327 H VAL 43 H VAL 43 5.119 -6.873 1.642 328 HA VAL 43 HA VAL 43 5.255 -9.492 0.479 329 HB VAL 43 HB VAL 43 3.805 -10.210 2.310 330 HG11 VAL 43 HG11 VAL 43 6.214 -10.053 2.690 331 HG12 VAL 43 HG12 VAL 43 6.011 -8.398 3.265 332 HG13 VAL 43 HG13 VAL 43 5.297 -9.737 4.163 333 HG21 VAL 43 HG21 VAL 43 2.362 -8.277 2.497 334 HG22 VAL 43 HG22 VAL 43 3.117 -8.619 4.055 335 HG23 VAL 43 HG23 VAL 43 3.714 -7.292 3.057 336 H VAL 44 H VAL 44 3.362 -10.783 -0.048 337 HA VAL 44 HA VAL 44 1.716 -9.696 -1.982 338 HB VAL 44 HB VAL 44 0.183 -11.727 -1.440 339 HG11 VAL 44 HG11 VAL 44 1.726 -11.644 -3.320 340 HG12 VAL 44 HG12 VAL 44 3.061 -12.100 -2.261 341 HG13 VAL 44 HG13 VAL 44 1.751 -13.240 -2.568 342 HG21 VAL 44 HG21 VAL 44 2.595 -12.338 0.265 343 HG22 VAL 44 HG22 VAL 44 0.938 -12.118 0.827 344 HG23 VAL 44 HG23 VAL 44 1.350 -13.505 -0.183 345 H GLN 45 H GLN 45 1.304 -9.789 1.429 346 HA GLN 45 HA GLN 45 -1.470 -9.190 1.566 347 HB2 GLN 45 HB2 GLN 45 0.695 -8.732 3.627 348 HB3 GLN 45 HB3 GLN 45 -1.038 -8.689 3.930 349 HG2 GLN 45 HG2 GLN 45 -1.175 -11.057 3.240 350 HG3 GLN 45 HG3 GLN 45 0.578 -11.072 3.065 351 HE21 GLN 45 HE21 GLN 45 0.934 -9.308 5.398 352 HE22 GLN 45 HE22 GLN 45 0.671 -10.308 6.778 353 H ASP 46 H ASP 46 1.353 -7.273 1.029 354 HA ASP 46 HA ASP 46 0.810 -5.016 2.564 355 HB2 ASP 46 HB2 ASP 46 3.025 -5.366 1.763 356 HB3 ASP 46 HB3 ASP 46 2.470 -5.437 0.099 357 H LEU 47 H LEU 47 -0.077 -5.666 -0.822 358 HA LEU 47 HA LEU 47 -0.771 -3.079 -1.504 359 HB2 LEU 47 HB2 LEU 47 -1.576 -4.006 -3.440 360 HB3 LEU 47 HB3 LEU 47 -0.451 -5.212 -2.917 361 HG LEU 47 HG LEU 47 -3.445 -5.404 -2.530 362 HD11 LEU 47 HD11 LEU 47 -3.356 -7.092 -4.295 363 HD12 LEU 47 HD12 LEU 47 -2.884 -5.495 -4.880 364 HD13 LEU 47 HD13 LEU 47 -1.653 -6.716 -4.560 365 HD21 LEU 47 HD21 LEU 47 -1.276 -7.466 -2.192 366 HD22 LEU 47 HD22 LEU 47 -2.142 -6.664 -0.881 367 HD23 LEU 47 HD23 LEU 47 -3.009 -7.729 -1.989 368 H ALA 48 H ALA 48 -2.726 -5.701 -0.194 369 HA ALA 48 HA ALA 48 -5.156 -4.243 -0.038 370 HB1 ALA 48 HB1 ALA 48 -5.072 -6.698 -0.060 371 HB2 ALA 48 HB2 ALA 48 -4.249 -6.678 1.500 372 HB3 ALA 48 HB3 ALA 48 -5.907 -6.090 1.370 373 H GLN 49 H GLN 49 -2.434 -4.838 2.023 374 HA GLN 49 HA GLN 49 -3.482 -4.135 4.488 375 HB2 GLN 49 HB2 GLN 49 -1.359 -5.284 4.259 376 HB3 GLN 49 HB3 GLN 49 -0.674 -3.932 3.389 377 HG2 GLN 49 HG2 GLN 49 0.229 -3.460 5.376 378 HG3 GLN 49 HG3 GLN 49 -1.332 -2.681 5.640 379 HE21 GLN 49 HE21 GLN 49 -2.784 -5.205 5.839 380 HE22 GLN 49 HE22 GLN 49 -2.392 -5.865 7.385 381 H LEU 50 H LEU 50 -1.703 -2.258 2.143 382 HA LEU 50 HA LEU 50 -1.465 0.108 3.625 383 HB2 LEU 50 HB2 LEU 50 -1.675 -0.322 0.648 384 HB3 LEU 50 HB3 LEU 50 -1.106 1.157 1.410 385 HG LEU 50 HG LEU 50 0.279 -1.521 1.724 386 HD11 LEU 50 HD11 LEU 50 1.949 -0.637 0.196 387 HD12 LEU 50 HD12 LEU 50 0.376 -0.777 -0.589 388 HD13 LEU 50 HD13 LEU 50 0.961 0.800 -0.062 389 HD21 LEU 50 HD21 LEU 50 2.102 -0.178 2.598 390 HD22 LEU 50 HD22 LEU 50 1.101 1.268 2.463 391 HD23 LEU 50 HD23 LEU 50 0.643 -0.020 3.577 392 H VAL 51 H VAL 51 -3.812 -0.761 1.124 393 HA VAL 51 HA VAL 51 -5.455 1.530 1.312 394 HB VAL 51 HB VAL 51 -5.352 -0.897 -0.113 395 HG11 VAL 51 HG11 VAL 51 -7.159 -1.739 1.251 396 HG12 VAL 51 HG12 VAL 51 -8.089 -0.273 0.942 397 HG13 VAL 51 HG13 VAL 51 -7.726 -1.382 -0.380 398 HG21 VAL 51 HG21 VAL 51 -6.960 1.614 -0.435 399 HG22 VAL 51 HG22 VAL 51 -5.337 1.307 -1.055 400 HG23 VAL 51 HG23 VAL 51 -6.710 0.398 -1.688 401 H GLU 52 H GLU 52 -5.455 -1.561 3.092 402 HA GLU 52 HA GLU 52 -7.888 -1.195 4.468 403 HB2 GLU 52 HB2 GLU 52 -5.370 -2.669 5.268 404 HB3 GLU 52 HB3 GLU 52 -6.830 -2.688 6.234 405 HG2 GLU 52 HG2 GLU 52 -8.000 -3.704 4.278 406 HG3 GLU 52 HG3 GLU 52 -6.421 -3.848 3.500 407 H GLU 53 H GLU 53 -4.531 -0.418 5.284 408 HA GLU 53 HA GLU 53 -5.153 0.144 8.007 409 HB2 GLU 53 HB2 GLU 53 -3.015 -0.853 7.312 410 HB3 GLU 53 HB3 GLU 53 -2.595 0.637 6.481 411 HG2 GLU 53 HG2 GLU 53 -2.391 1.831 8.490 412 HG3 GLU 53 HG3 GLU 53 -3.184 0.556 9.421 413 H ALA 54 H ALA 54 -5.032 2.042 5.140 414 HA ALA 54 HA ALA 54 -4.316 4.528 6.124 415 HB1 ALA 54 HB1 ALA 54 -5.582 5.483 4.275 416 HB2 ALA 54 HB2 ALA 54 -4.692 4.052 3.755 417 HB3 ALA 54 HB3 ALA 54 -6.427 3.952 4.049 418 H THR 55 H THR 55 -7.642 3.154 6.020 419 HA THR 55 HA THR 55 -8.291 5.075 8.162 420 HB THR 55 HB THR 55 -10.730 4.431 7.440 421 HG1 THR 55 HG1 THR 55 -10.599 3.085 5.801 422 HG21 THR 55 HG21 THR 55 -8.989 6.258 5.778 423 HG22 THR 55 HG22 THR 55 -9.748 6.681 7.312 424 HG23 THR 55 HG23 THR 55 -10.747 6.329 5.902 425 H GLY 56 H GLY 56 -7.439 1.945 7.829 426 HA2 GLY 56 HA2 GLY 56 -7.521 0.240 9.406 427 HA3 GLY 56 HA3 GLY 56 -8.632 1.215 10.358 428 H VAL 57 H VAL 57 -9.304 0.681 7.039 429 HA VAL 57 HA VAL 57 -11.824 -0.547 7.770 430 HB VAL 57 HB VAL 57 -12.130 1.198 6.258 431 HG11 VAL 57 HG11 VAL 57 -9.860 0.106 4.610 432 HG12 VAL 57 HG12 VAL 57 -10.829 1.527 4.219 433 HG13 VAL 57 HG13 VAL 57 -9.806 1.526 5.655 434 HG21 VAL 57 HG21 VAL 57 -12.014 -1.260 4.514 435 HG22 VAL 57 HG22 VAL 57 -13.370 -0.775 5.533 436 HG23 VAL 57 HG23 VAL 57 -12.899 0.223 4.158 437 HA PRO 58 HA PRO 58 -10.645 -4.727 6.889 438 HB2 PRO 58 HB2 PRO 58 -13.103 -5.737 6.371 439 HB3 PRO 58 HB3 PRO 58 -12.567 -5.313 8.005 440 HG2 PRO 58 HG2 PRO 58 -14.166 -3.654 6.064 441 HG3 PRO 58 HG3 PRO 58 -14.535 -4.018 7.769 442 HD2 PRO 58 HD2 PRO 58 -13.412 -1.710 7.121 443 HD3 PRO 58 HD3 PRO 58 -12.831 -2.599 8.547 444 H LEU 59 H LEU 59 -10.513 -6.256 5.212 445 HA LEU 59 HA LEU 59 -9.954 -5.303 2.720 446 HB2 LEU 59 HB2 LEU 59 -10.872 -8.065 3.493 447 HB3 LEU 59 HB3 LEU 59 -10.175 -7.665 1.934 448 HG LEU 59 HG LEU 59 -8.720 -7.243 4.542 449 HD11 LEU 59 HD11 LEU 59 -9.226 -9.618 4.255 450 HD12 LEU 59 HD12 LEU 59 -8.539 -9.570 2.631 451 HD13 LEU 59 HD13 LEU 59 -7.507 -9.295 4.034 452 HD21 LEU 59 HD21 LEU 59 -7.802 -7.348 1.673 453 HD22 LEU 59 HD22 LEU 59 -7.935 -5.899 2.669 454 HD23 LEU 59 HD23 LEU 59 -6.760 -7.148 3.082 455 HA PRO 60 HA PRO 60 -14.159 -6.911 0.948 456 HB2 PRO 60 HB2 PRO 60 -16.094 -6.534 3.132 457 HB3 PRO 60 HB3 PRO 60 -15.854 -7.920 2.063 458 HG2 PRO 60 HG2 PRO 60 -15.140 -8.037 4.617 459 HG3 PRO 60 HG3 PRO 60 -14.140 -8.793 3.366 460 HD2 PRO 60 HD2 PRO 60 -13.783 -6.137 4.727 461 HD3 PRO 60 HD3 PRO 60 -12.577 -7.410 4.449 462 H PHE 61 H PHE 61 -14.032 -4.222 3.151 463 HA PHE 61 HA PHE 61 -16.236 -2.819 1.922 464 HB2 PHE 61 HB2 PHE 61 -14.466 -2.418 4.238 465 HB3 PHE 61 HB3 PHE 61 -15.022 -0.946 3.453 466 HD1 PHE 61 HD1 PHE 61 -17.500 -0.601 3.170 467 HD2 PHE 61 HD2 PHE 61 -15.877 -3.658 5.645 468 HE1 PHE 61 HE1 PHE 61 -19.655 -0.793 4.339 469 HE2 PHE 61 HE2 PHE 61 -18.031 -3.859 6.817 470 HZ PHE 61 HZ PHE 61 -19.924 -2.422 6.164 471 H GLN 62 H GLN 62 -12.865 -3.071 1.388 472 HA GLN 62 HA GLN 62 -13.020 -0.699 -0.337 473 HB2 GLN 62 HB2 GLN 62 -10.589 -0.545 -0.199 474 HB3 GLN 62 HB3 GLN 62 -11.321 -0.334 1.365 475 HG2 GLN 62 HG2 GLN 62 -10.798 -3.071 1.136 476 HG3 GLN 62 HG3 GLN 62 -9.389 -2.241 0.464 477 HE21 GLN 62 HE21 GLN 62 -9.728 -3.766 2.939 478 HE22 GLN 62 HE22 GLN 62 -9.233 -2.698 4.205 479 H LYS 63 H LYS 63 -12.529 -0.900 -2.439 480 HA LYS 63 HA LYS 63 -11.438 -3.482 -3.296 481 HB2 LYS 63 HB2 LYS 63 -12.825 -1.383 -4.980 482 HB3 LYS 63 HB3 LYS 63 -12.278 -2.961 -5.531 483 HG2 LYS 63 HG2 LYS 63 -14.455 -2.423 -3.517 484 HG3 LYS 63 HG3 LYS 63 -14.667 -2.982 -5.177 485 HD2 LYS 63 HD2 LYS 63 -13.492 -5.050 -4.648 486 HD3 LYS 63 HD3 LYS 63 -13.206 -4.483 -3.001 487 HE2 LYS 63 HE2 LYS 63 -15.908 -4.991 -4.248 488 HE3 LYS 63 HE3 LYS 63 -15.082 -6.060 -3.116 489 HZ1 LYS 63 HZ1 LYS 63 -16.745 -4.706 -2.003 490 HZ2 LYS 63 HZ2 LYS 63 -15.989 -3.286 -2.534 491 HZ3 LYS 63 HZ3 LYS 63 -15.195 -4.315 -1.443 492 H LEU 64 H LEU 64 -9.305 -3.105 -2.888 493 HA LEU 64 HA LEU 64 -8.062 -0.617 -3.569 494 HB2 LEU 64 HB2 LEU 64 -7.196 -1.644 -1.602 495 HB3 LEU 64 HB3 LEU 64 -7.115 -3.212 -2.391 496 HG LEU 64 HG LEU 64 -4.941 -1.897 -1.832 497 HD11 LEU 64 HD11 LEU 64 -4.935 -3.998 -3.031 498 HD12 LEU 64 HD12 LEU 64 -5.333 -3.163 -4.533 499 HD13 LEU 64 HD13 LEU 64 -3.779 -2.876 -3.749 500 HD21 LEU 64 HD21 LEU 64 -4.119 -0.496 -3.644 501 HD22 LEU 64 HD22 LEU 64 -5.681 -0.624 -4.452 502 HD23 LEU 64 HD23 LEU 64 -5.559 0.191 -2.894 503 H ILE 65 H ILE 65 -7.507 -0.091 -5.442 504 HA ILE 65 HA ILE 65 -6.358 -2.062 -7.318 505 HB ILE 65 HB ILE 65 -7.910 0.453 -7.898 506 HG12 ILE 65 HG12 ILE 65 -8.749 -2.434 -8.307 507 HG13 ILE 65 HG13 ILE 65 -9.336 -1.379 -7.026 508 HG21 ILE 65 HG21 ILE 65 -7.841 -0.315 -10.255 509 HG22 ILE 65 HG22 ILE 65 -6.235 0.001 -9.598 510 HG23 ILE 65 HG23 ILE 65 -6.808 -1.659 -9.764 511 HD11 ILE 65 HD11 ILE 65 -10.949 -1.549 -8.822 512 HD12 ILE 65 HD12 ILE 65 -10.322 0.095 -8.705 513 HD13 ILE 65 HD13 ILE 65 -9.745 -0.978 -9.979 514 H PHE 66 H PHE 66 -4.210 -1.618 -7.068 515 HA PHE 66 HA PHE 66 -3.308 0.648 -8.420 516 HB2 PHE 66 HB2 PHE 66 -3.521 1.160 -5.696 517 HB3 PHE 66 HB3 PHE 66 -1.800 0.945 -6.036 518 HD1 PHE 66 HD1 PHE 66 -1.230 1.997 -8.526 519 HD2 PHE 66 HD2 PHE 66 -4.179 3.376 -5.790 520 HE1 PHE 66 HE1 PHE 66 -1.154 4.221 -9.571 521 HE2 PHE 66 HE2 PHE 66 -4.107 5.603 -6.827 522 HZ PHE 66 HZ PHE 66 -2.595 6.027 -8.723 523 H LYS 67 H LYS 67 -1.138 0.539 -9.023 524 HA LYS 67 HA LYS 67 0.802 -0.440 -9.583 525 HB2 LYS 67 HB2 LYS 67 1.539 -2.403 -7.842 526 HB3 LYS 67 HB3 LYS 67 1.927 -0.716 -7.666 527 HG2 LYS 67 HG2 LYS 67 0.221 -0.417 -6.011 528 HG3 LYS 67 HG3 LYS 67 -0.441 -2.047 -6.276 529 HD2 LYS 67 HD2 LYS 67 1.806 -2.949 -5.556 530 HD3 LYS 67 HD3 LYS 67 2.310 -1.304 -5.176 531 HE2 LYS 67 HE2 LYS 67 0.090 -1.374 -3.717 532 HE3 LYS 67 HE3 LYS 67 0.413 -3.103 -3.754 533 HZ1 LYS 67 HZ1 LYS 67 2.176 -0.971 -2.679 534 HZ2 LYS 67 HZ2 LYS 67 2.713 -2.547 -2.950 535 HZ3 LYS 67 HZ3 LYS 67 1.477 -2.258 -1.829 536 H GLY 68 H GLY 68 -1.626 -1.413 -10.581 537 HA2 GLY 68 HA2 GLY 68 -2.454 -3.118 -11.854 538 HA3 GLY 68 HA3 GLY 68 -0.827 -3.787 -11.874 539 H LYS 69 H LYS 69 -2.064 -3.223 -8.823 540 HA LYS 69 HA LYS 69 -2.680 -6.077 -8.494 541 HB2 LYS 69 HB2 LYS 69 -1.439 -4.135 -6.548 542 HB3 LYS 69 HB3 LYS 69 -1.905 -5.782 -6.156 543 HG2 LYS 69 HG2 LYS 69 -0.332 -6.483 -8.032 544 HG3 LYS 69 HG3 LYS 69 0.296 -4.834 -7.939 545 HD2 LYS 69 HD2 LYS 69 0.811 -5.137 -5.588 546 HD3 LYS 69 HD3 LYS 69 0.124 -6.761 -5.628 547 HE2 LYS 69 HE2 LYS 69 2.581 -5.766 -7.043 548 HE3 LYS 69 HE3 LYS 69 2.488 -6.969 -5.757 549 HZ1 LYS 69 HZ1 LYS 69 1.630 -7.231 -8.579 550 HZ2 LYS 69 HZ2 LYS 69 1.091 -8.297 -7.375 551 HZ3 LYS 69 HZ3 LYS 69 2.746 -8.179 -7.719 552 H SER 70 H SER 70 -4.421 -6.650 -7.325 553 HA SER 70 HA SER 70 -6.056 -4.485 -6.225 554 HB2 SER 70 HB2 SER 70 -7.043 -5.576 -8.276 555 HB3 SER 70 HB3 SER 70 -7.117 -7.089 -7.372 556 HG SER 70 HG SER 70 -8.332 -4.686 -6.475 557 H LEU 71 H LEU 71 -7.124 -4.945 -4.239 558 HA LEU 71 HA LEU 71 -5.347 -6.344 -2.518 559 HB2 LEU 71 HB2 LEU 71 -6.511 -5.453 -0.701 560 HB3 LEU 71 HB3 LEU 71 -6.629 -4.264 -1.988 561 HG LEU 71 HG LEU 71 -8.737 -4.200 -1.036 562 HD11 LEU 71 HD11 LEU 71 -8.996 -4.414 -3.415 563 HD12 LEU 71 HD12 LEU 71 -9.027 -6.174 -3.286 564 HD13 LEU 71 HD13 LEU 71 -10.331 -5.214 -2.586 565 HD21 LEU 71 HD21 LEU 71 -8.520 -6.082 0.461 566 HD22 LEU 71 HD22 LEU 71 -10.067 -6.140 -0.384 567 HD23 LEU 71 HD23 LEU 71 -8.751 -7.206 -0.880 568 H LYS 72 H LYS 72 -5.527 -8.101 -1.290 569 HA LYS 72 HA LYS 72 -7.940 -9.586 -0.971 570 HB2 LYS 72 HB2 LYS 72 -5.764 -10.608 -2.770 571 HB3 LYS 72 HB3 LYS 72 -6.655 -11.747 -1.770 572 HG2 LYS 72 HG2 LYS 72 -8.717 -11.164 -2.833 573 HG3 LYS 72 HG3 LYS 72 -7.945 -9.838 -3.708 574 HD2 LYS 72 HD2 LYS 72 -6.476 -11.535 -4.807 575 HD3 LYS 72 HD3 LYS 72 -7.459 -12.792 -4.050 576 HE2 LYS 72 HE2 LYS 72 -9.383 -12.144 -5.258 577 HE3 LYS 72 HE3 LYS 72 -8.636 -10.636 -5.785 578 HZ1 LYS 72 HZ1 LYS 72 -7.787 -13.363 -6.599 579 HZ2 LYS 72 HZ2 LYS 72 -7.074 -11.908 -7.108 580 HZ3 LYS 72 HZ3 LYS 72 -8.670 -12.276 -7.553 581 H GLU 73 H GLU 73 -7.105 -11.851 0.162 582 HA GLU 73 HA GLU 73 -5.885 -11.190 2.581 583 HB2 GLU 73 HB2 GLU 73 -5.554 -13.926 1.387 584 HB3 GLU 73 HB3 GLU 73 -5.871 -13.484 3.056 585 HG2 GLU 73 HG2 GLU 73 -7.837 -13.316 0.787 586 HG3 GLU 73 HG3 GLU 73 -7.788 -14.568 2.024 587 H MET 74 H MET 74 -4.564 -12.762 -0.272 588 HA MET 74 HA MET 74 -2.030 -11.444 0.010 589 HB2 MET 74 HB2 MET 74 -0.750 -13.621 -0.066 590 HB3 MET 74 HB3 MET 74 -1.528 -13.269 1.469 591 HG2 MET 74 HG2 MET 74 -3.421 -14.759 0.698 592 HG3 MET 74 HG3 MET 74 -2.364 -15.255 -0.622 593 HE1 MET 74 HE1 MET 74 -2.905 -15.170 3.252 594 HE2 MET 74 HE2 MET 74 -1.421 -15.920 3.845 595 HE3 MET 74 HE3 MET 74 -1.361 -14.338 3.067 596 H GLU 75 H GLU 75 -1.947 -10.655 -2.011 597 HA GLU 75 HA GLU 75 -3.352 -12.160 -4.063 598 HB2 GLU 75 HB2 GLU 75 -4.105 -9.904 -3.549 599 HB3 GLU 75 HB3 GLU 75 -2.523 -9.267 -3.947 600 HG2 GLU 75 HG2 GLU 75 -4.285 -8.915 -5.669 601 HG3 GLU 75 HG3 GLU 75 -2.825 -9.713 -6.256 602 H THR 76 H THR 76 -1.085 -9.765 -5.148 603 HA THR 76 HA THR 76 0.014 -11.935 -6.789 604 HB THR 76 HB THR 76 0.576 -9.963 -8.367 605 HG1 THR 76 HG1 THR 76 -1.624 -8.640 -7.387 606 HG21 THR 76 HG21 THR 76 -1.660 -10.086 -9.357 607 HG22 THR 76 HG22 THR 76 -2.290 -10.773 -7.860 608 HG23 THR 76 HG23 THR 76 -1.122 -11.678 -8.821 609 HA PRO 77 HA PRO 77 4.321 -12.141 -6.133 610 HB2 PRO 77 HB2 PRO 77 4.444 -10.245 -8.449 611 HB3 PRO 77 HB3 PRO 77 5.455 -11.653 -8.101 612 HG2 PRO 77 HG2 PRO 77 3.262 -11.712 -9.754 613 HG3 PRO 77 HG3 PRO 77 3.906 -13.122 -8.900 614 HD2 PRO 77 HD2 PRO 77 1.372 -11.850 -8.518 615 HD3 PRO 77 HD3 PRO 77 2.048 -13.213 -7.604 616 H LEU 78 H LEU 78 5.596 -11.283 -4.777 617 HA LEU 78 HA LEU 78 5.096 -8.821 -3.503 618 HB2 LEU 78 HB2 LEU 78 7.360 -10.773 -3.179 619 HB3 LEU 78 HB3 LEU 78 7.005 -9.454 -2.080 620 HG LEU 78 HG LEU 78 4.666 -10.575 -1.958 621 HD11 LEU 78 HD11 LEU 78 5.035 -12.236 -3.695 622 HD12 LEU 78 HD12 LEU 78 6.395 -12.901 -2.791 623 HD13 LEU 78 HD13 LEU 78 4.760 -13.023 -2.141 624 HD21 LEU 78 HD21 LEU 78 7.091 -11.743 -0.603 625 HD22 LEU 78 HD22 LEU 78 6.168 -10.338 -0.069 626 HD23 LEU 78 HD23 LEU 78 5.424 -11.938 -0.059 627 H SER 79 H SER 79 7.702 -9.833 -5.688 628 HA SER 79 HA SER 79 9.313 -7.574 -5.443 629 HB2 SER 79 HB2 SER 79 8.769 -9.241 -7.912 630 HB3 SER 79 HB3 SER 79 10.095 -8.087 -7.746 631 HG SER 79 HG SER 79 10.976 -9.334 -6.127 632 H ALA 80 H ALA 80 6.447 -8.107 -7.373 633 HA ALA 80 HA ALA 80 6.467 -5.505 -8.582 634 HB1 ALA 80 HB1 ALA 80 5.493 -7.428 -9.731 635 HB2 ALA 80 HB2 ALA 80 4.269 -7.566 -8.469 636 HB3 ALA 80 HB3 ALA 80 4.308 -6.142 -9.509 637 H LEU 81 H LEU 81 6.003 -6.289 -5.461 638 HA LEU 81 HA LEU 81 3.360 -5.380 -4.940 639 HB2 LEU 81 HB2 LEU 81 5.211 -6.859 -3.563 640 HB3 LEU 81 HB3 LEU 81 5.117 -5.388 -2.619 641 HG LEU 81 HG LEU 81 3.572 -6.857 -1.645 642 HD11 LEU 81 HD11 LEU 81 2.674 -4.608 -1.967 643 HD12 LEU 81 HD12 LEU 81 1.973 -5.108 -3.505 644 HD13 LEU 81 HD13 LEU 81 1.405 -5.832 -2.000 645 HD21 LEU 81 HD21 LEU 81 1.868 -8.072 -2.908 646 HD22 LEU 81 HD22 LEU 81 2.531 -7.433 -4.412 647 HD23 LEU 81 HD23 LEU 81 3.500 -8.512 -3.410 648 H GLY 82 H GLY 82 5.370 -3.318 -6.138 649 HA2 GLY 82 HA2 GLY 82 4.996 -0.931 -5.779 650 HA3 GLY 82 HA3 GLY 82 4.725 -1.299 -4.102 651 H MET 83 H MET 83 7.549 -2.438 -6.005 652 HA MET 83 HA MET 83 9.324 -1.407 -4.044 653 HB2 MET 83 HB2 MET 83 11.097 -1.827 -5.815 654 HB3 MET 83 HB3 MET 83 10.134 -3.216 -5.341 655 HG2 MET 83 HG2 MET 83 8.777 -2.961 -7.356 656 HG3 MET 83 HG3 MET 83 9.752 -1.569 -7.829 657 HE1 MET 83 HE1 MET 83 10.789 -4.411 -10.354 658 HE2 MET 83 HE2 MET 83 9.196 -4.236 -9.617 659 HE3 MET 83 HE3 MET 83 10.069 -2.811 -10.181 660 H GLN 84 H GLN 84 8.485 0.632 -3.855 661 HA GLN 84 HA GLN 84 10.346 2.536 -4.718 662 HB2 GLN 84 HB2 GLN 84 8.506 4.226 -5.427 663 HB3 GLN 84 HB3 GLN 84 9.055 3.076 -6.626 664 HG2 GLN 84 HG2 GLN 84 6.998 1.700 -5.625 665 HG3 GLN 84 HG3 GLN 84 6.442 3.341 -5.295 666 HE21 GLN 84 HE21 GLN 84 6.067 4.748 -7.044 667 HE22 GLN 84 HE22 GLN 84 5.872 4.161 -8.658 668 H ASN 85 H ASN 85 9.352 4.770 -3.334 669 HA ASN 85 HA ASN 85 9.035 3.598 -0.755 670 HB2 ASN 85 HB2 ASN 85 8.501 5.826 0.147 671 HB3 ASN 85 HB3 ASN 85 9.887 5.933 -0.934 672 HD21 ASN 85 HD21 ASN 85 9.466 6.814 -3.085 673 HD22 ASN 85 HD22 ASN 85 8.218 7.987 -3.263 674 H GLY 86 H GLY 86 7.427 2.330 -0.383 675 HA2 GLY 86 HA2 GLY 86 5.386 1.438 -0.129 676 HA3 GLY 86 HA3 GLY 86 4.794 3.084 0.023 677 H CYS 87 H CYS 87 5.676 3.516 -2.891 678 HA CYS 87 HA CYS 87 4.668 3.578 -4.919 679 HB2 CYS 87 HB2 CYS 87 4.898 1.036 -4.646 680 HB3 CYS 87 HB3 CYS 87 3.186 1.057 -4.231 681 HG CYS 87 HG CYS 87 4.552 0.930 -7.181 682 H ARG 88 H ARG 88 1.908 2.390 -5.319 683 HA ARG 88 HA ARG 88 0.365 4.321 -3.726 684 HB2 ARG 88 HB2 ARG 88 -0.175 3.807 -6.652 685 HB3 ARG 88 HB3 ARG 88 -0.861 5.063 -5.633 686 HG2 ARG 88 HG2 ARG 88 0.641 6.270 -6.852 687 HG3 ARG 88 HG3 ARG 88 1.630 5.848 -5.454 688 HD2 ARG 88 HD2 ARG 88 3.013 5.384 -7.271 689 HD3 ARG 88 HD3 ARG 88 2.356 3.807 -6.830 690 HE ARG 88 HE ARG 88 0.779 5.092 -8.826 691 HH11 ARG 88 HH11 ARG 88 3.690 3.202 -8.320 692 HH12 ARG 88 HH12 ARG 88 3.770 2.645 -9.965 693 HH21 ARG 88 HH21 ARG 88 0.859 4.319 -10.979 694 HH22 ARG 88 HH22 ARG 88 2.156 3.267 -11.468 695 H VAL 89 H VAL 89 -1.742 3.681 -3.267 696 HA VAL 89 HA VAL 89 -2.914 1.314 -4.459 697 HB VAL 89 HB VAL 89 -3.543 0.414 -2.157 698 HG11 VAL 89 HG11 VAL 89 -1.497 -0.911 -1.927 699 HG12 VAL 89 HG12 VAL 89 -2.015 -0.777 -3.609 700 HG13 VAL 89 HG13 VAL 89 -0.668 0.197 -3.023 701 HG21 VAL 89 HG21 VAL 89 -2.844 2.309 -0.836 702 HG22 VAL 89 HG22 VAL 89 -1.968 0.861 -0.344 703 HG23 VAL 89 HG23 VAL 89 -1.173 2.073 -1.346 704 H MET 90 H MET 90 -4.869 2.046 -5.036 705 HA MET 90 HA MET 90 -6.218 3.603 -2.927 706 HB2 MET 90 HB2 MET 90 -7.146 5.132 -4.279 707 HB3 MET 90 HB3 MET 90 -5.572 4.911 -5.038 708 HG2 MET 90 HG2 MET 90 -6.630 3.358 -6.659 709 HG3 MET 90 HG3 MET 90 -8.185 3.718 -5.900 710 HE1 MET 90 HE1 MET 90 -8.816 7.416 -6.828 711 HE2 MET 90 HE2 MET 90 -9.509 5.929 -6.181 712 HE3 MET 90 HE3 MET 90 -8.195 6.735 -5.325 713 H LEU 91 H LEU 91 -8.136 3.088 -2.343 714 HA LEU 91 HA LEU 91 -9.298 0.754 -3.643 715 HB2 LEU 91 HB2 LEU 91 -10.388 0.214 -1.563 716 HB3 LEU 91 HB3 LEU 91 -8.660 0.284 -1.363 717 HG LEU 91 HG LEU 91 -9.475 1.187 0.599 718 HD11 LEU 91 HD11 LEU 91 -9.028 3.585 -1.140 719 HD12 LEU 91 HD12 LEU 91 -8.991 3.561 0.623 720 HD13 LEU 91 HD13 LEU 91 -7.796 2.647 -0.297 721 HD21 LEU 91 HD21 LEU 91 -11.816 1.326 0.000 722 HD22 LEU 91 HD22 LEU 91 -11.291 2.824 0.770 723 HD23 LEU 91 HD23 LEU 91 -11.505 2.759 -0.979 724 H ILE 92 H ILE 92 -11.205 0.873 -4.543 725 HA ILE 92 HA ILE 92 -12.724 3.317 -4.012 726 HB ILE 92 HB ILE 92 -12.817 1.516 -6.449 727 HG12 ILE 92 HG12 ILE 92 -11.840 4.366 -6.133 728 HG13 ILE 92 HG13 ILE 92 -10.805 2.952 -6.300 729 HG21 ILE 92 HG21 ILE 92 -14.338 4.057 -5.883 730 HG22 ILE 92 HG22 ILE 92 -14.349 3.165 -7.404 731 HG23 ILE 92 HG23 ILE 92 -15.018 2.431 -5.947 732 HD11 ILE 92 HD11 ILE 92 -11.701 2.557 -8.531 733 HD12 ILE 92 HD12 ILE 92 -12.749 3.965 -8.362 734 HD13 ILE 92 HD13 ILE 92 -10.998 4.168 -8.391 735 H GLY 93 H GLY 93 -14.223 3.028 -2.658 736 HA2 GLY 93 HA2 GLY 93 -16.500 1.535 -2.964 737 HA3 GLY 93 HA3 GLY 93 -15.408 0.498 -2.045 738 H GLU 94 H GLU 94 -14.842 1.054 0.055 739 HA GLU 94 HA GLU 94 -15.787 3.600 1.096 740 HB2 GLU 94 HB2 GLU 94 -17.655 1.983 1.389 741 HB3 GLU 94 HB3 GLU 94 -16.584 0.971 2.349 742 HG2 GLU 94 HG2 GLU 94 -17.994 2.261 3.806 743 HG3 GLU 94 HG3 GLU 94 -16.327 2.818 3.960 744 H LYS 95 H LYS 95 -14.267 4.446 2.362 745 HA LYS 95 HA LYS 95 -12.276 2.692 3.590 746 HB2 LYS 95 HB2 LYS 95 -12.381 5.592 2.939 747 HB3 LYS 95 HB3 LYS 95 -11.504 5.147 4.394 748 HG2 LYS 95 HG2 LYS 95 -10.167 3.548 2.970 749 HG3 LYS 95 HG3 LYS 95 -10.929 4.295 1.564 750 HD2 LYS 95 HD2 LYS 95 -10.025 6.449 2.172 751 HD3 LYS 95 HD3 LYS 95 -9.360 5.785 3.662 752 HE2 LYS 95 HE2 LYS 95 -7.859 4.340 2.352 753 HE3 LYS 95 HE3 LYS 95 -8.538 4.999 0.852 754 HZ1 LYS 95 HZ1 LYS 95 -7.713 7.166 1.419 755 HZ2 LYS 95 HZ2 LYS 95 -6.431 6.063 1.528 756 HZ3 LYS 95 HZ3 LYS 95 -7.182 6.633 2.938 757 H SER 96 H SER 96 -14.023 1.815 4.923 758 HA SER 96 HA SER 96 -15.547 3.323 6.716 759 HB2 SER 96 HB2 SER 96 -14.616 0.460 7.027 760 HB3 SER 96 HB3 SER 96 -15.992 1.205 7.844 761 HG SER 96 HG SER 96 -16.460 1.673 5.366 762 H ASN 97 H ASN 97 -14.850 4.567 8.286 763 HA ASN 97 HA ASN 97 -12.787 3.547 10.095 764 HB2 ASN 97 HB2 ASN 97 -11.684 5.134 8.555 765 HB3 ASN 97 HB3 ASN 97 -12.863 6.367 8.989 766 HD21 ASN 97 HD21 ASN 97 -11.154 7.702 9.660 767 HD22 ASN 97 HD22 ASN 97 -10.371 7.454 11.185 Start of MODEL 13 1 H1 MET 1 H1 MET 1 6.469 9.702 -14.700 2 H2 MET 1 H2 MET 1 7.246 9.116 -13.317 3 H3 MET 1 H3 MET 1 7.133 10.788 -13.587 4 HA MET 1 HA MET 1 4.724 10.668 -13.412 5 HB2 MET 1 HB2 MET 1 5.289 7.787 -12.676 6 HB3 MET 1 HB3 MET 1 3.733 8.584 -12.491 7 HG2 MET 1 HG2 MET 1 3.594 8.915 -14.892 8 HG3 MET 1 HG3 MET 1 5.179 8.171 -15.097 9 HE1 MET 1 HE1 MET 1 1.424 7.617 -14.134 10 HE2 MET 1 HE2 MET 1 1.409 5.915 -13.672 11 HE3 MET 1 HE3 MET 1 2.251 7.094 -12.666 12 H ALA 2 H ALA 2 6.873 11.685 -12.014 13 HA ALA 2 HA ALA 2 7.506 12.503 -10.012 14 HB1 ALA 2 HB1 ALA 2 4.802 11.587 -9.053 15 HB2 ALA 2 HB2 ALA 2 5.835 12.799 -8.297 16 HB3 ALA 2 HB3 ALA 2 5.128 13.108 -9.882 17 H LYS 3 H LYS 3 5.543 9.921 -8.617 18 HA LYS 3 HA LYS 3 7.716 9.136 -6.917 19 HB2 LYS 3 HB2 LYS 3 5.612 9.006 -5.880 20 HB3 LYS 3 HB3 LYS 3 4.888 8.184 -7.259 21 HG2 LYS 3 HG2 LYS 3 6.148 6.178 -6.770 22 HG3 LYS 3 HG3 LYS 3 6.981 6.991 -5.447 23 HD2 LYS 3 HD2 LYS 3 4.017 6.959 -5.387 24 HD3 LYS 3 HD3 LYS 3 4.857 5.443 -5.072 25 HE2 LYS 3 HE2 LYS 3 4.353 6.748 -3.027 26 HE3 LYS 3 HE3 LYS 3 6.065 6.394 -3.258 27 HZ1 LYS 3 HZ1 LYS 3 6.471 8.609 -3.961 28 HZ2 LYS 3 HZ2 LYS 3 5.532 8.722 -2.544 29 HZ3 LYS 3 HZ3 LYS 3 4.818 8.973 -4.058 30 H THR 4 H THR 4 9.203 7.735 -7.352 31 HA THR 4 HA THR 4 8.705 5.179 -8.487 32 HB THR 4 HB THR 4 10.390 7.042 -10.197 33 HG1 THR 4 HG1 THR 4 7.757 6.483 -10.279 34 HG21 THR 4 HG21 THR 4 10.599 5.130 -11.717 35 HG22 THR 4 HG22 THR 4 9.699 4.127 -10.579 36 HG23 THR 4 HG23 THR 4 11.280 4.769 -10.130 37 H GLU 5 H GLU 5 11.253 7.623 -8.121 38 HA GLU 5 HA GLU 5 13.121 5.471 -7.431 39 HB2 GLU 5 HB2 GLU 5 13.432 7.127 -9.387 40 HB3 GLU 5 HB3 GLU 5 13.854 8.296 -8.146 41 HG2 GLU 5 HG2 GLU 5 15.692 6.861 -7.419 42 HG3 GLU 5 HG3 GLU 5 15.263 5.688 -8.668 43 H GLU 6 H GLU 6 11.170 7.048 -5.612 44 HA GLU 6 HA GLU 6 12.787 8.511 -3.792 45 HB2 GLU 6 HB2 GLU 6 10.117 7.172 -3.493 46 HB3 GLU 6 HB3 GLU 6 10.892 7.994 -2.155 47 HG2 GLU 6 HG2 GLU 6 9.576 9.651 -2.865 48 HG3 GLU 6 HG3 GLU 6 10.946 9.968 -3.937 49 H MET 7 H MET 7 10.992 5.631 -2.893 50 HA MET 7 HA MET 7 11.294 4.194 -1.192 51 HB2 MET 7 HB2 MET 7 13.774 4.038 -2.787 52 HB3 MET 7 HB3 MET 7 13.859 3.337 -1.174 53 HG2 MET 7 HG2 MET 7 12.057 1.868 -1.623 54 HG3 MET 7 HG3 MET 7 11.698 2.672 -3.154 55 HE1 MET 7 HE1 MET 7 14.627 3.115 -4.350 56 HE2 MET 7 HE2 MET 7 14.799 1.663 -5.336 57 HE3 MET 7 HE3 MET 7 13.261 2.528 -5.301 58 H VAL 8 H VAL 8 11.223 6.662 -0.221 59 HA VAL 8 HA VAL 8 12.455 6.337 2.283 60 HB VAL 8 HB VAL 8 14.514 6.987 1.199 61 HG11 VAL 8 HG11 VAL 8 13.079 9.447 0.211 62 HG12 VAL 8 HG12 VAL 8 14.810 9.141 0.056 63 HG13 VAL 8 HG13 VAL 8 13.653 8.097 -0.769 64 HG21 VAL 8 HG21 VAL 8 14.193 7.861 3.442 65 HG22 VAL 8 HG22 VAL 8 15.140 8.984 2.466 66 HG23 VAL 8 HG23 VAL 8 13.437 9.312 2.786 67 H GLN 9 H GLN 9 10.093 6.640 2.553 68 HA GLN 9 HA GLN 9 9.699 9.495 3.191 69 HB2 GLN 9 HB2 GLN 9 7.826 7.636 1.832 70 HB3 GLN 9 HB3 GLN 9 7.151 8.798 2.965 71 HG2 GLN 9 HG2 GLN 9 8.851 9.451 0.569 72 HG3 GLN 9 HG3 GLN 9 7.102 9.638 0.686 73 HE21 GLN 9 HE21 GLN 9 9.161 11.633 0.159 74 HE22 GLN 9 HE22 GLN 9 8.975 12.850 1.378 75 H THR 10 H THR 10 8.002 6.409 3.979 76 HA THR 10 HA THR 10 8.107 7.258 6.796 77 HB THR 10 HB THR 10 6.279 5.178 5.577 78 HG1 THR 10 HG1 THR 10 5.640 7.863 6.324 79 HG21 THR 10 HG21 THR 10 4.975 5.536 7.648 80 HG22 THR 10 HG22 THR 10 6.243 6.609 8.240 81 HG23 THR 10 HG23 THR 10 6.586 4.899 7.974 82 H GLU 11 H GLU 11 9.821 6.400 7.771 83 HA GLU 11 HA GLU 11 10.883 3.817 7.064 84 HB2 GLU 11 HB2 GLU 11 12.254 5.838 7.687 85 HB3 GLU 11 HB3 GLU 11 11.710 5.608 9.340 86 HG2 GLU 11 HG2 GLU 11 12.752 3.387 9.361 87 HG3 GLU 11 HG3 GLU 11 13.322 3.656 7.714 88 H GLU 12 H GLU 12 11.212 2.095 8.524 89 HA GLU 12 HA GLU 12 9.832 1.916 11.040 90 HB2 GLU 12 HB2 GLU 12 8.000 1.559 9.371 91 HB3 GLU 12 HB3 GLU 12 8.903 0.210 8.706 92 HG2 GLU 12 HG2 GLU 12 7.057 -0.482 10.162 93 HG3 GLU 12 HG3 GLU 12 8.622 -1.041 10.740 94 H MET 13 H MET 13 9.968 -0.752 11.539 95 HA MET 13 HA MET 13 12.685 -1.102 11.980 96 HB2 MET 13 HB2 MET 13 10.482 -3.146 12.016 97 HB3 MET 13 HB3 MET 13 12.114 -3.432 12.598 98 HG2 MET 13 HG2 MET 13 11.843 -1.675 14.260 99 HG3 MET 13 HG3 MET 13 10.209 -1.374 13.673 100 HE1 MET 13 HE1 MET 13 9.778 -3.094 17.213 101 HE2 MET 13 HE2 MET 13 11.130 -2.067 16.731 102 HE3 MET 13 HE3 MET 13 9.482 -1.633 16.270 103 H GLU 14 H GLU 14 10.719 -2.706 9.399 104 HA GLU 14 HA GLU 14 13.303 -3.575 8.291 105 HB2 GLU 14 HB2 GLU 14 11.579 -5.351 8.611 106 HB3 GLU 14 HB3 GLU 14 10.537 -4.487 7.498 107 HG2 GLU 14 HG2 GLU 14 11.724 -6.409 6.491 108 HG3 GLU 14 HG3 GLU 14 12.021 -4.873 5.680 109 H THR 15 H THR 15 10.769 -1.315 7.748 110 HA THR 15 HA THR 15 10.757 -1.423 4.896 111 HB THR 15 HB THR 15 9.338 0.489 4.932 112 HG1 THR 15 HG1 THR 15 9.054 1.622 7.002 113 HG21 THR 15 HG21 THR 15 8.842 -1.191 7.389 114 HG22 THR 15 HG22 THR 15 8.291 -1.542 5.752 115 HG23 THR 15 HG23 THR 15 7.651 -0.145 6.616 116 HA PRO 16 HA PRO 16 14.268 1.118 4.203 117 HB2 PRO 16 HB2 PRO 16 14.001 1.455 1.539 118 HB3 PRO 16 HB3 PRO 16 14.450 -0.097 2.252 119 HG2 PRO 16 HG2 PRO 16 11.934 0.709 0.984 120 HG3 PRO 16 HG3 PRO 16 12.583 -0.911 1.279 121 HD2 PRO 16 HD2 PRO 16 10.588 0.540 2.791 122 HD3 PRO 16 HD3 PRO 16 11.194 -1.127 3.049 123 H ARG 17 H ARG 17 12.003 2.309 5.274 124 HA ARG 17 HA ARG 17 10.788 4.187 5.510 125 HB2 ARG 17 HB2 ARG 17 13.183 5.114 5.357 126 HB3 ARG 17 HB3 ARG 17 12.773 5.562 3.703 127 HG2 ARG 17 HG2 ARG 17 11.072 7.036 4.434 128 HG3 ARG 17 HG3 ARG 17 11.168 6.431 6.089 129 HD2 ARG 17 HD2 ARG 17 13.402 7.342 6.313 130 HD3 ARG 17 HD3 ARG 17 13.362 7.892 4.637 131 HE ARG 17 HE ARG 17 11.160 9.008 5.924 132 HH11 ARG 17 HH11 ARG 17 14.644 9.124 6.180 133 HH12 ARG 17 HH12 ARG 17 14.682 10.777 6.706 134 HH21 ARG 17 HH21 ARG 17 11.198 11.184 6.642 135 HH22 ARG 17 HH22 ARG 17 12.730 11.950 6.955 136 H LEU 18 H LEU 18 9.309 2.841 4.106 137 HA LEU 18 HA LEU 18 8.931 4.158 1.501 138 HB2 LEU 18 HB2 LEU 18 8.893 1.350 2.309 139 HB3 LEU 18 HB3 LEU 18 7.553 1.852 1.307 140 HG LEU 18 HG LEU 18 8.977 2.497 -0.481 141 HD11 LEU 18 HD11 LEU 18 10.729 3.552 0.815 142 HD12 LEU 18 HD12 LEU 18 11.295 1.973 1.358 143 HD13 LEU 18 HD13 LEU 18 11.396 2.406 -0.348 144 HD21 LEU 18 HD21 LEU 18 8.519 0.101 -0.298 145 HD22 LEU 18 HD22 LEU 18 10.105 0.399 -1.007 146 HD23 LEU 18 HD23 LEU 18 9.972 -0.107 0.678 147 H SER 19 H SER 19 7.193 5.306 1.238 148 HA SER 19 HA SER 19 4.823 4.746 2.877 149 HB2 SER 19 HB2 SER 19 5.892 6.743 3.678 150 HB3 SER 19 HB3 SER 19 6.005 7.384 2.029 151 HG SER 19 HG SER 19 3.972 7.550 3.800 152 H VAL 20 H VAL 20 3.039 4.467 1.828 153 HA VAL 20 HA VAL 20 2.993 4.777 -1.086 154 HB VAL 20 HB VAL 20 2.641 2.494 -0.181 155 HG11 VAL 20 HG11 VAL 20 0.190 3.699 1.067 156 HG12 VAL 20 HG12 VAL 20 0.590 1.982 1.026 157 HG13 VAL 20 HG13 VAL 20 1.614 3.104 1.924 158 HG21 VAL 20 HG21 VAL 20 1.594 3.064 -2.299 159 HG22 VAL 20 HG22 VAL 20 0.580 1.955 -1.378 160 HG23 VAL 20 HG23 VAL 20 0.173 3.670 -1.448 161 H ILE 21 H ILE 21 1.113 5.528 -2.095 162 HA ILE 21 HA ILE 21 -0.424 7.497 -0.568 163 HB ILE 21 HB ILE 21 -0.662 6.936 -3.506 164 HG12 ILE 21 HG12 ILE 21 1.465 8.666 -2.223 165 HG13 ILE 21 HG13 ILE 21 1.756 7.071 -2.920 166 HG21 ILE 21 HG21 ILE 21 -0.895 9.464 -1.874 167 HG22 ILE 21 HG22 ILE 21 -1.145 9.338 -3.616 168 HG23 ILE 21 HG23 ILE 21 -2.236 8.507 -2.506 169 HD11 ILE 21 HD11 ILE 21 2.424 8.838 -4.444 170 HD12 ILE 21 HD12 ILE 21 1.067 7.928 -5.109 171 HD13 ILE 21 HD13 ILE 21 0.798 9.518 -4.399 172 H VAL 22 H VAL 22 -2.112 6.655 0.423 173 HA VAL 22 HA VAL 22 -3.739 4.656 -0.984 174 HB VAL 22 HB VAL 22 -3.922 5.433 1.929 175 HG11 VAL 22 HG11 VAL 22 -5.934 4.433 0.975 176 HG12 VAL 22 HG12 VAL 22 -4.987 3.055 0.415 177 HG13 VAL 22 HG13 VAL 22 -5.173 3.353 2.144 178 HG21 VAL 22 HG21 VAL 22 -1.720 4.494 1.466 179 HG22 VAL 22 HG22 VAL 22 -2.700 3.382 2.422 180 HG23 VAL 22 HG23 VAL 22 -2.474 3.098 0.697 181 H THR 23 H THR 23 -5.480 5.396 -1.939 182 HA THR 23 HA THR 23 -6.670 7.865 -0.908 183 HB THR 23 HB THR 23 -5.699 7.259 -3.681 184 HG1 THR 23 HG1 THR 23 -4.302 8.701 -3.118 185 HG21 THR 23 HG21 THR 23 -8.012 7.996 -3.990 186 HG22 THR 23 HG22 THR 23 -6.888 9.252 -4.506 187 HG23 THR 23 HG23 THR 23 -7.717 9.395 -2.956 188 H HIS 24 H HIS 24 -8.828 8.052 -1.026 189 HA HIS 24 HA HIS 24 -10.410 6.122 -2.583 190 HB2 HIS 24 HB2 HIS 24 -10.664 5.127 -0.481 191 HB3 HIS 24 HB3 HIS 24 -10.508 6.650 0.376 192 HD1 HIS 24 HD1 HIS 24 -12.593 7.435 1.409 193 HD2 HIS 24 HD2 HIS 24 -13.326 5.050 -1.938 194 HE1 HIS 24 HE1 HIS 24 -15.100 7.218 1.252 195 HE2 HIS 24 HE2 HIS 24 -15.527 5.807 -0.793 196 H SER 25 H SER 25 -11.331 7.464 -4.012 197 HA SER 25 HA SER 25 -12.544 9.154 -4.926 198 HB2 SER 25 HB2 SER 25 -14.101 8.839 -3.013 199 HB3 SER 25 HB3 SER 25 -13.162 10.006 -2.084 200 HG SER 25 HG SER 25 -14.170 11.547 -3.076 201 H ASN 26 H ASN 26 -10.523 10.082 -2.215 202 HA ASN 26 HA ASN 26 -8.792 11.784 -3.563 203 HB2 ASN 26 HB2 ASN 26 -10.756 13.299 -3.791 204 HB3 ASN 26 HB3 ASN 26 -10.953 13.284 -2.042 205 HD21 ASN 26 HD21 ASN 26 -9.071 14.435 -4.707 206 HD22 ASN 26 HD22 ASN 26 -8.165 15.618 -3.820 207 H GLU 27 H GLU 27 -10.588 11.074 -0.683 208 HA GLU 27 HA GLU 27 -9.062 11.817 1.429 209 HB2 GLU 27 HB2 GLU 27 -11.182 10.676 1.584 210 HB3 GLU 27 HB3 GLU 27 -10.484 9.205 0.933 211 HG2 GLU 27 HG2 GLU 27 -9.108 8.982 2.940 212 HG3 GLU 27 HG3 GLU 27 -9.840 10.453 3.593 213 H ARG 28 H ARG 28 -6.982 11.598 1.895 214 HA ARG 28 HA ARG 28 -5.481 9.413 0.591 215 HB2 ARG 28 HB2 ARG 28 -5.406 11.883 -0.311 216 HB3 ARG 28 HB3 ARG 28 -4.345 12.155 1.055 217 HG2 ARG 28 HG2 ARG 28 -3.843 10.098 -1.083 218 HG3 ARG 28 HG3 ARG 28 -3.184 11.732 -1.100 219 HD2 ARG 28 HD2 ARG 28 -2.598 9.493 0.807 220 HD3 ARG 28 HD3 ARG 28 -1.480 10.384 -0.223 221 HE ARG 28 HE ARG 28 -2.823 11.980 1.777 222 HH11 ARG 28 HH11 ARG 28 0.042 10.223 0.865 223 HH12 ARG 28 HH12 ARG 28 0.958 10.735 2.256 224 HH21 ARG 28 HH21 ARG 28 -1.636 12.693 3.584 225 HH22 ARG 28 HH22 ARG 28 0.002 12.131 3.806 226 H TYR 29 H TYR 29 -4.299 8.225 1.942 227 HA TYR 29 HA TYR 29 -3.360 9.407 4.472 228 HB2 TYR 29 HB2 TYR 29 -4.535 6.663 4.009 229 HB3 TYR 29 HB3 TYR 29 -3.521 7.017 5.405 230 HD1 TYR 29 HD1 TYR 29 -4.306 8.554 7.147 231 HD2 TYR 29 HD2 TYR 29 -6.793 7.505 3.861 232 HE1 TYR 29 HE1 TYR 29 -6.261 9.421 8.358 233 HE2 TYR 29 HE2 TYR 29 -8.756 8.368 5.061 234 HH TYR 29 HH TYR 29 -9.476 8.847 7.337 235 H ASP 30 H ASP 30 -1.212 9.108 4.940 236 HA ASP 30 HA ASP 30 0.484 7.763 3.011 237 HB2 ASP 30 HB2 ASP 30 1.150 8.723 5.827 238 HB3 ASP 30 HB3 ASP 30 2.315 8.190 4.628 239 H LEU 31 H LEU 31 0.722 5.636 2.994 240 HA LEU 31 HA LEU 31 0.435 4.165 5.531 241 HB2 LEU 31 HB2 LEU 31 -1.116 3.874 3.235 242 HB3 LEU 31 HB3 LEU 31 0.037 2.560 3.139 243 HG LEU 31 HG LEU 31 -2.131 1.963 4.210 244 HD11 LEU 31 HD11 LEU 31 -1.100 0.788 6.123 245 HD12 LEU 31 HD12 LEU 31 -0.113 0.661 4.666 246 HD13 LEU 31 HD13 LEU 31 0.348 1.781 5.948 247 HD21 LEU 31 HD21 LEU 31 -2.550 4.073 5.343 248 HD22 LEU 31 HD22 LEU 31 -2.507 2.754 6.512 249 HD23 LEU 31 HD23 LEU 31 -1.128 3.844 6.361 250 H LEU 32 H LEU 32 1.839 2.194 5.630 251 HA LEU 32 HA LEU 32 4.298 2.854 4.170 252 HB2 LEU 32 HB2 LEU 32 4.947 3.450 6.237 253 HB3 LEU 32 HB3 LEU 32 3.767 2.420 7.031 254 HG LEU 32 HG LEU 32 6.103 1.096 5.743 255 HD11 LEU 32 HD11 LEU 32 7.457 1.517 7.746 256 HD12 LEU 32 HD12 LEU 32 7.110 3.006 6.865 257 HD13 LEU 32 HD13 LEU 32 6.219 2.626 8.339 258 HD21 LEU 32 HD21 LEU 32 4.329 -0.203 6.854 259 HD22 LEU 32 HD22 LEU 32 5.879 -0.375 7.680 260 HD23 LEU 32 HD23 LEU 32 4.634 0.678 8.350 261 H VAL 33 H VAL 33 5.460 1.271 3.281 262 HA VAL 33 HA VAL 33 4.070 -1.032 2.450 263 HB VAL 33 HB VAL 33 6.704 0.195 1.903 264 HG11 VAL 33 HG11 VAL 33 6.496 -2.813 1.721 265 HG12 VAL 33 HG12 VAL 33 7.783 -1.820 1.033 266 HG13 VAL 33 HG13 VAL 33 7.573 -1.906 2.783 267 HG21 VAL 33 HG21 VAL 33 4.858 -1.525 0.252 268 HG22 VAL 33 HG22 VAL 33 4.788 0.232 0.385 269 HG23 VAL 33 HG23 VAL 33 6.192 -0.541 -0.353 270 H THR 34 H THR 34 4.642 -3.296 2.866 271 HA THR 34 HA THR 34 4.581 -3.440 5.743 272 HB THR 34 HB THR 34 4.205 -5.662 3.730 273 HG1 THR 34 HG1 THR 34 2.782 -3.652 3.668 274 HG21 THR 34 HG21 THR 34 4.567 -6.449 6.023 275 HG22 THR 34 HG22 THR 34 2.894 -6.714 5.527 276 HG23 THR 34 HG23 THR 34 3.295 -5.374 6.602 277 HA PRO 35 HA PRO 35 8.836 -4.460 6.143 278 HB2 PRO 35 HB2 PRO 35 8.782 -4.901 8.811 279 HB3 PRO 35 HB3 PRO 35 8.709 -3.283 8.103 280 HG2 PRO 35 HG2 PRO 35 6.476 -5.002 9.117 281 HG3 PRO 35 HG3 PRO 35 6.760 -3.270 9.377 282 HD2 PRO 35 HD2 PRO 35 5.004 -4.176 7.541 283 HD3 PRO 35 HD3 PRO 35 5.947 -2.692 7.294 284 H GLN 36 H GLN 36 10.184 -6.152 6.934 285 HA GLN 36 HA GLN 36 10.884 -8.268 7.028 286 HB2 GLN 36 HB2 GLN 36 8.054 -8.873 7.860 287 HB3 GLN 36 HB3 GLN 36 9.338 -10.071 7.815 288 HG2 GLN 36 HG2 GLN 36 10.618 -8.460 9.347 289 HG3 GLN 36 HG3 GLN 36 9.050 -7.693 9.604 290 HE21 GLN 36 HE21 GLN 36 10.957 -10.556 10.059 291 HE22 GLN 36 HE22 GLN 36 9.936 -11.289 11.255 292 H GLN 37 H GLN 37 10.727 -7.487 4.624 293 HA GLN 37 HA GLN 37 9.974 -9.935 3.199 294 HB2 GLN 37 HB2 GLN 37 8.629 -7.536 2.716 295 HB3 GLN 37 HB3 GLN 37 9.903 -7.536 1.506 296 HG2 GLN 37 HG2 GLN 37 7.707 -9.559 1.864 297 HG3 GLN 37 HG3 GLN 37 8.048 -8.540 0.457 298 HE21 GLN 37 HE21 GLN 37 9.717 -9.080 -0.908 299 HE22 GLN 37 HE22 GLN 37 10.457 -10.650 -0.913 300 H GLY 38 H GLY 38 11.097 -7.090 1.702 301 HA2 GLY 38 HA2 GLY 38 13.923 -7.654 2.138 302 HA3 GLY 38 HA3 GLY 38 13.345 -7.563 0.466 303 H ASN 39 H ASN 39 11.819 -5.879 2.979 304 HA ASN 39 HA ASN 39 11.015 -3.817 3.167 305 HB2 ASN 39 HB2 ASN 39 12.668 -1.929 3.193 306 HB3 ASN 39 HB3 ASN 39 12.973 -3.268 4.295 307 HD21 ASN 39 HD21 ASN 39 14.852 -4.366 4.161 308 HD22 ASN 39 HD22 ASN 39 16.117 -3.984 3.038 309 H SER 40 H SER 40 12.970 -4.025 0.285 310 HA SER 40 HA SER 40 11.693 -1.728 -0.927 311 HB2 SER 40 HB2 SER 40 13.654 -3.746 -2.033 312 HB3 SER 40 HB3 SER 40 13.250 -2.183 -2.756 313 HG SER 40 HG SER 40 14.214 -2.289 -0.108 314 H GLU 41 H GLU 41 11.018 -4.953 -0.553 315 HA GLU 41 HA GLU 41 9.470 -5.153 -3.019 316 HB2 GLU 41 HB2 GLU 41 11.553 -6.347 -3.402 317 HB3 GLU 41 HB3 GLU 41 11.426 -7.154 -1.851 318 HG2 GLU 41 HG2 GLU 41 9.402 -8.315 -2.689 319 HG3 GLU 41 HG3 GLU 41 9.699 -7.590 -4.269 320 HA PRO 42 HA PRO 42 7.181 -5.664 0.926 321 HB2 PRO 42 HB2 PRO 42 4.861 -5.065 -0.793 322 HB3 PRO 42 HB3 PRO 42 5.399 -4.274 0.692 323 HG2 PRO 42 HG2 PRO 42 5.667 -3.106 -1.702 324 HG3 PRO 42 HG3 PRO 42 6.874 -2.897 -0.421 325 HD2 PRO 42 HD2 PRO 42 6.965 -4.630 -2.853 326 HD3 PRO 42 HD3 PRO 42 8.259 -3.678 -2.097 327 H VAL 43 H VAL 43 5.393 -7.000 1.648 328 HA VAL 43 HA VAL 43 5.445 -9.584 0.385 329 HB VAL 43 HB VAL 43 4.012 -10.315 2.230 330 HG11 VAL 43 HG11 VAL 43 6.313 -8.620 3.178 331 HG12 VAL 43 HG12 VAL 43 5.556 -9.938 4.074 332 HG13 VAL 43 HG13 VAL 43 6.423 -10.276 2.576 333 HG21 VAL 43 HG21 VAL 43 3.437 -8.744 4.044 334 HG22 VAL 43 HG22 VAL 43 4.045 -7.417 3.056 335 HG23 VAL 43 HG23 VAL 43 2.643 -8.347 2.521 336 H VAL 44 H VAL 44 3.444 -10.786 -0.125 337 HA VAL 44 HA VAL 44 1.812 -9.517 -1.978 338 HB VAL 44 HB VAL 44 0.179 -11.480 -1.466 339 HG11 VAL 44 HG11 VAL 44 2.996 -11.953 -2.431 340 HG12 VAL 44 HG12 VAL 44 1.625 -13.024 -2.717 341 HG13 VAL 44 HG13 VAL 44 1.634 -11.400 -3.405 342 HG21 VAL 44 HG21 VAL 44 1.053 -11.993 0.761 343 HG22 VAL 44 HG22 VAL 44 1.231 -13.370 -0.326 344 HG23 VAL 44 HG23 VAL 44 2.628 -12.365 0.061 345 H GLN 45 H GLN 45 1.498 -9.773 1.440 346 HA GLN 45 HA GLN 45 -1.215 -9.106 1.762 347 HB2 GLN 45 HB2 GLN 45 1.125 -8.689 3.623 348 HB3 GLN 45 HB3 GLN 45 -0.561 -8.486 4.081 349 HG2 GLN 45 HG2 GLN 45 -0.979 -10.840 3.561 350 HG3 GLN 45 HG3 GLN 45 0.718 -11.029 3.121 351 HE21 GLN 45 HE21 GLN 45 1.021 -12.612 4.695 352 HE22 GLN 45 HE22 GLN 45 1.115 -12.220 6.378 353 H ASP 46 H ASP 46 1.572 -7.168 1.067 354 HA ASP 46 HA ASP 46 0.988 -4.854 2.523 355 HB2 ASP 46 HB2 ASP 46 3.187 -5.172 1.704 356 HB3 ASP 46 HB3 ASP 46 2.618 -5.354 0.058 357 H LEU 47 H LEU 47 0.111 -5.650 -0.844 358 HA LEU 47 HA LEU 47 -0.689 -3.097 -1.542 359 HB2 LEU 47 HB2 LEU 47 -1.868 -4.321 -3.359 360 HB3 LEU 47 HB3 LEU 47 -0.187 -4.704 -3.193 361 HG LEU 47 HG LEU 47 -1.186 -6.700 -1.732 362 HD11 LEU 47 HD11 LEU 47 -3.199 -7.597 -2.775 363 HD12 LEU 47 HD12 LEU 47 -3.507 -6.043 -1.999 364 HD13 LEU 47 HD13 LEU 47 -3.344 -6.134 -3.753 365 HD21 LEU 47 HD21 LEU 47 0.305 -6.906 -3.660 366 HD22 LEU 47 HD22 LEU 47 -0.979 -8.117 -3.688 367 HD23 LEU 47 HD23 LEU 47 -1.075 -6.705 -4.741 368 H ALA 48 H ALA 48 -2.553 -5.829 -0.275 369 HA ALA 48 HA ALA 48 -5.038 -4.446 -0.124 370 HB1 ALA 48 HB1 ALA 48 -4.912 -6.886 -0.188 371 HB2 ALA 48 HB2 ALA 48 -4.079 -6.890 1.367 372 HB3 ALA 48 HB3 ALA 48 -5.751 -6.336 1.261 373 H GLN 49 H GLN 49 -2.310 -4.915 1.939 374 HA GLN 49 HA GLN 49 -3.394 -4.272 4.423 375 HB2 GLN 49 HB2 GLN 49 -1.240 -5.362 4.186 376 HB3 GLN 49 HB3 GLN 49 -0.590 -3.982 3.337 377 HG2 GLN 49 HG2 GLN 49 0.294 -3.692 5.407 378 HG3 GLN 49 HG3 GLN 49 -1.151 -2.691 5.488 379 HE21 GLN 49 HE21 GLN 49 -1.307 -6.168 5.586 380 HE22 GLN 49 HE22 GLN 49 -1.805 -6.295 7.235 381 H LEU 50 H LEU 50 -1.681 -2.346 2.067 382 HA LEU 50 HA LEU 50 -1.421 -0.022 3.602 383 HB2 LEU 50 HB2 LEU 50 -1.625 -0.380 0.617 384 HB3 LEU 50 HB3 LEU 50 -1.062 1.079 1.406 385 HG LEU 50 HG LEU 50 0.330 -1.601 1.640 386 HD11 LEU 50 HD11 LEU 50 1.994 -0.660 0.144 387 HD12 LEU 50 HD12 LEU 50 0.420 -0.750 -0.643 388 HD13 LEU 50 HD13 LEU 50 1.018 0.797 -0.043 389 HD21 LEU 50 HD21 LEU 50 0.674 -0.131 3.547 390 HD22 LEU 50 HD22 LEU 50 2.142 -0.312 2.586 391 HD23 LEU 50 HD23 LEU 50 1.180 1.161 2.460 392 H VAL 51 H VAL 51 -3.824 -0.784 1.093 393 HA VAL 51 HA VAL 51 -5.387 1.571 1.372 394 HB VAL 51 HB VAL 51 -5.368 -0.806 -0.140 395 HG11 VAL 51 HG11 VAL 51 -8.085 -0.117 0.950 396 HG12 VAL 51 HG12 VAL 51 -7.771 -1.184 -0.419 397 HG13 VAL 51 HG13 VAL 51 -7.210 -1.630 1.192 398 HG21 VAL 51 HG21 VAL 51 -6.885 1.775 -0.375 399 HG22 VAL 51 HG22 VAL 51 -5.275 1.428 -1.011 400 HG23 VAL 51 HG23 VAL 51 -6.681 0.594 -1.670 401 H GLU 52 H GLU 52 -5.455 -1.555 3.005 402 HA GLU 52 HA GLU 52 -7.907 -1.159 4.403 403 HB2 GLU 52 HB2 GLU 52 -7.213 -3.390 4.055 404 HB3 GLU 52 HB3 GLU 52 -5.606 -3.084 4.680 405 HG2 GLU 52 HG2 GLU 52 -6.525 -2.846 6.932 406 HG3 GLU 52 HG3 GLU 52 -8.141 -3.159 6.297 407 H GLU 53 H GLU 53 -4.478 -0.733 5.263 408 HA GLU 53 HA GLU 53 -4.968 -0.260 8.027 409 HB2 GLU 53 HB2 GLU 53 -2.812 -1.050 7.434 410 HB3 GLU 53 HB3 GLU 53 -2.593 0.220 6.237 411 HG2 GLU 53 HG2 GLU 53 -1.423 1.294 7.788 412 HG3 GLU 53 HG3 GLU 53 -2.967 1.625 8.563 413 H ALA 54 H ALA 54 -5.051 1.756 5.215 414 HA ALA 54 HA ALA 54 -4.339 4.217 6.270 415 HB1 ALA 54 HB1 ALA 54 -5.645 5.213 4.477 416 HB2 ALA 54 HB2 ALA 54 -4.749 3.810 3.896 417 HB3 ALA 54 HB3 ALA 54 -6.478 3.681 4.218 418 H THR 55 H THR 55 -7.636 2.829 6.152 419 HA THR 55 HA THR 55 -8.346 4.757 8.260 420 HB THR 55 HB THR 55 -10.727 3.780 7.201 421 HG1 THR 55 HG1 THR 55 -10.250 3.266 5.209 422 HG21 THR 55 HG21 THR 55 -10.294 6.065 7.973 423 HG22 THR 55 HG22 THR 55 -10.964 6.068 6.342 424 HG23 THR 55 HG23 THR 55 -9.238 6.338 6.586 425 H GLY 56 H GLY 56 -7.793 1.480 7.718 426 HA2 GLY 56 HA2 GLY 56 -7.912 -0.192 9.359 427 HA3 GLY 56 HA3 GLY 56 -9.010 0.820 10.284 428 H VAL 57 H VAL 57 -9.649 0.365 6.932 429 HA VAL 57 HA VAL 57 -12.193 -0.845 7.602 430 HB VAL 57 HB VAL 57 -11.703 -0.610 4.760 431 HG11 VAL 57 HG11 VAL 57 -13.909 -0.724 5.770 432 HG12 VAL 57 HG12 VAL 57 -13.612 0.790 6.626 433 HG13 VAL 57 HG13 VAL 57 -13.718 0.778 4.866 434 HG21 VAL 57 HG21 VAL 57 -11.341 1.907 6.374 435 HG22 VAL 57 HG22 VAL 57 -10.096 1.107 5.413 436 HG23 VAL 57 HG23 VAL 57 -11.505 1.811 4.620 437 HA PRO 58 HA PRO 58 -11.058 -5.004 6.460 438 HB2 PRO 58 HB2 PRO 58 -13.504 -5.986 5.952 439 HB3 PRO 58 HB3 PRO 58 -12.987 -5.585 7.592 440 HG2 PRO 58 HG2 PRO 58 -14.566 -3.906 5.659 441 HG3 PRO 58 HG3 PRO 58 -14.961 -4.304 7.350 442 HD2 PRO 58 HD2 PRO 58 -13.820 -1.977 6.722 443 HD3 PRO 58 HD3 PRO 58 -13.329 -2.858 8.185 444 H LEU 59 H LEU 59 -11.002 -6.442 4.691 445 HA LEU 59 HA LEU 59 -10.522 -5.467 2.193 446 HB2 LEU 59 HB2 LEU 59 -11.762 -8.160 2.715 447 HB3 LEU 59 HB3 LEU 59 -10.779 -7.702 1.336 448 HG LEU 59 HG LEU 59 -9.780 -7.826 4.179 449 HD11 LEU 59 HD11 LEU 59 -8.623 -9.860 3.421 450 HD12 LEU 59 HD12 LEU 59 -10.378 -10.031 3.389 451 HD13 LEU 59 HD13 LEU 59 -9.490 -9.762 1.890 452 HD21 LEU 59 HD21 LEU 59 -8.556 -6.242 2.771 453 HD22 LEU 59 HD22 LEU 59 -7.572 -7.658 3.141 454 HD23 LEU 59 HD23 LEU 59 -8.324 -7.497 1.554 455 HA PRO 60 HA PRO 60 -15.010 -6.489 0.657 456 HB2 PRO 60 HB2 PRO 60 -16.720 -6.086 3.006 457 HB3 PRO 60 HB3 PRO 60 -16.721 -7.399 1.824 458 HG2 PRO 60 HG2 PRO 60 -15.856 -7.774 4.311 459 HG3 PRO 60 HG3 PRO 60 -15.076 -8.581 2.943 460 HD2 PRO 60 HD2 PRO 60 -14.223 -6.123 4.437 461 HD3 PRO 60 HD3 PRO 60 -13.241 -7.515 3.938 462 H PHE 61 H PHE 61 -14.234 -4.029 2.951 463 HA PHE 61 HA PHE 61 -16.313 -2.231 1.979 464 HB2 PHE 61 HB2 PHE 61 -14.442 -2.265 4.277 465 HB3 PHE 61 HB3 PHE 61 -14.929 -0.687 3.663 466 HD1 PHE 61 HD1 PHE 61 -16.342 -3.947 4.771 467 HD2 PHE 61 HD2 PHE 61 -16.909 0.255 4.410 468 HE1 PHE 61 HE1 PHE 61 -18.439 -4.125 6.045 469 HE2 PHE 61 HE2 PHE 61 -19.008 0.086 5.684 470 HZ PHE 61 HZ PHE 61 -19.782 -2.093 6.494 471 H GLN 62 H GLN 62 -12.961 -2.870 1.421 472 HA GLN 62 HA GLN 62 -12.901 -0.416 -0.184 473 HB2 GLN 62 HB2 GLN 62 -10.496 -0.287 0.085 474 HB3 GLN 62 HB3 GLN 62 -11.279 -0.171 1.633 475 HG2 GLN 62 HG2 GLN 62 -10.683 -2.904 1.144 476 HG3 GLN 62 HG3 GLN 62 -9.254 -1.939 0.769 477 HE21 GLN 62 HE21 GLN 62 -9.646 -3.803 2.918 478 HE22 GLN 62 HE22 GLN 62 -9.425 -2.921 4.391 479 H LYS 63 H LYS 63 -12.526 -0.696 -2.335 480 HA LYS 63 HA LYS 63 -11.463 -3.286 -3.177 481 HB2 LYS 63 HB2 LYS 63 -13.489 -1.606 -4.212 482 HB3 LYS 63 HB3 LYS 63 -12.169 -1.582 -5.364 483 HG2 LYS 63 HG2 LYS 63 -13.678 -3.978 -4.348 484 HG3 LYS 63 HG3 LYS 63 -13.660 -3.336 -5.991 485 HD2 LYS 63 HD2 LYS 63 -11.407 -4.021 -6.323 486 HD3 LYS 63 HD3 LYS 63 -11.196 -4.384 -4.609 487 HE2 LYS 63 HE2 LYS 63 -12.888 -6.174 -4.816 488 HE3 LYS 63 HE3 LYS 63 -12.996 -5.841 -6.542 489 HZ1 LYS 63 HZ1 LYS 63 -11.533 -7.740 -5.915 490 HZ2 LYS 63 HZ2 LYS 63 -10.478 -6.630 -5.193 491 HZ3 LYS 63 HZ3 LYS 63 -10.775 -6.554 -6.860 492 H LEU 64 H LEU 64 -9.296 -3.026 -2.781 493 HA LEU 64 HA LEU 64 -7.956 -0.585 -3.447 494 HB2 LEU 64 HB2 LEU 64 -7.146 -1.723 -1.531 495 HB3 LEU 64 HB3 LEU 64 -7.082 -3.254 -2.380 496 HG LEU 64 HG LEU 64 -4.890 -1.954 -1.758 497 HD11 LEU 64 HD11 LEU 64 -3.726 -2.915 -3.671 498 HD12 LEU 64 HD12 LEU 64 -4.915 -4.037 -3.011 499 HD13 LEU 64 HD13 LEU 64 -5.265 -3.154 -4.497 500 HD21 LEU 64 HD21 LEU 64 -5.513 0.158 -2.785 501 HD22 LEU 64 HD22 LEU 64 -4.069 -0.513 -3.543 502 HD23 LEU 64 HD23 LEU 64 -5.629 -0.627 -4.360 503 H ILE 65 H ILE 65 -7.457 -0.054 -5.360 504 HA ILE 65 HA ILE 65 -6.362 -2.055 -7.228 505 HB ILE 65 HB ILE 65 -7.972 0.422 -7.785 506 HG12 ILE 65 HG12 ILE 65 -9.244 -1.563 -6.915 507 HG13 ILE 65 HG13 ILE 65 -9.763 -1.026 -8.507 508 HG21 ILE 65 HG21 ILE 65 -7.901 -0.279 -10.154 509 HG22 ILE 65 HG22 ILE 65 -6.296 0.077 -9.512 510 HG23 ILE 65 HG23 ILE 65 -6.816 -1.599 -9.714 511 HD11 ILE 65 HD11 ILE 65 -8.445 -2.843 -9.511 512 HD12 ILE 65 HD12 ILE 65 -8.002 -3.389 -7.892 513 HD13 ILE 65 HD13 ILE 65 -9.688 -3.433 -8.408 514 H PHE 66 H PHE 66 -4.205 -1.617 -7.026 515 HA PHE 66 HA PHE 66 -3.313 0.634 -8.414 516 HB2 PHE 66 HB2 PHE 66 -3.474 1.157 -5.676 517 HB3 PHE 66 HB3 PHE 66 -1.761 0.961 -6.066 518 HD1 PHE 66 HD1 PHE 66 -1.346 2.030 -8.640 519 HD2 PHE 66 HD2 PHE 66 -4.092 3.365 -5.678 520 HE1 PHE 66 HE1 PHE 66 -1.288 4.287 -9.611 521 HE2 PHE 66 HE2 PHE 66 -4.045 5.625 -6.649 522 HZ PHE 66 HZ PHE 66 -2.700 6.034 -8.747 523 H LYS 67 H LYS 67 -1.141 0.499 -9.041 524 HA LYS 67 HA LYS 67 0.752 -0.540 -9.656 525 HB2 LYS 67 HB2 LYS 67 1.443 -2.544 -7.915 526 HB3 LYS 67 HB3 LYS 67 1.941 -0.880 -7.784 527 HG2 LYS 67 HG2 LYS 67 0.405 -0.449 -6.036 528 HG3 LYS 67 HG3 LYS 67 -0.503 -1.946 -6.321 529 HD2 LYS 67 HD2 LYS 67 1.463 -3.246 -5.611 530 HD3 LYS 67 HD3 LYS 67 2.375 -1.758 -5.352 531 HE2 LYS 67 HE2 LYS 67 0.197 -1.291 -3.818 532 HE3 LYS 67 HE3 LYS 67 0.293 -3.046 -3.700 533 HZ1 LYS 67 HZ1 LYS 67 2.695 -2.721 -3.072 534 HZ2 LYS 67 HZ2 LYS 67 1.575 -2.196 -1.921 535 HZ3 LYS 67 HZ3 LYS 67 2.360 -1.073 -2.912 536 H GLY 68 H GLY 68 -1.742 -1.466 -10.605 537 HA2 GLY 68 HA2 GLY 68 -2.679 -3.200 -11.777 538 HA3 GLY 68 HA3 GLY 68 -1.059 -3.893 -11.860 539 H LYS 69 H LYS 69 -2.172 -3.209 -8.774 540 HA LYS 69 HA LYS 69 -2.753 -6.050 -8.319 541 HB2 LYS 69 HB2 LYS 69 -1.292 -4.069 -6.574 542 HB3 LYS 69 HB3 LYS 69 -1.789 -5.670 -6.041 543 HG2 LYS 69 HG2 LYS 69 -0.423 -6.696 -7.750 544 HG3 LYS 69 HG3 LYS 69 0.041 -5.107 -8.356 545 HD2 LYS 69 HD2 LYS 69 1.529 -4.769 -6.696 546 HD3 LYS 69 HD3 LYS 69 0.525 -5.584 -5.490 547 HE2 LYS 69 HE2 LYS 69 2.704 -6.728 -6.131 548 HE3 LYS 69 HE3 LYS 69 1.242 -7.708 -6.163 549 HZ1 LYS 69 HZ1 LYS 69 2.706 -8.009 -8.116 550 HZ2 LYS 69 HZ2 LYS 69 2.413 -6.403 -8.566 551 HZ3 LYS 69 HZ3 LYS 69 1.137 -7.518 -8.527 552 H SER 70 H SER 70 -4.440 -6.575 -7.174 553 HA SER 70 HA SER 70 -6.075 -4.410 -6.071 554 HB2 SER 70 HB2 SER 70 -8.027 -5.953 -6.570 555 HB3 SER 70 HB3 SER 70 -7.194 -5.328 -7.997 556 HG SER 70 HG SER 70 -7.176 -7.925 -6.899 557 H LEU 71 H LEU 71 -7.172 -4.893 -4.075 558 HA LEU 71 HA LEU 71 -5.425 -6.321 -2.351 559 HB2 LEU 71 HB2 LEU 71 -6.635 -5.562 -0.569 560 HB3 LEU 71 HB3 LEU 71 -6.992 -4.352 -1.801 561 HG LEU 71 HG LEU 71 -8.814 -6.662 -1.104 562 HD11 LEU 71 HD11 LEU 71 -8.553 -5.154 0.790 563 HD12 LEU 71 HD12 LEU 71 -8.951 -3.779 -0.240 564 HD13 LEU 71 HD13 LEU 71 -10.163 -5.017 0.082 565 HD21 LEU 71 HD21 LEU 71 -9.299 -4.167 -2.731 566 HD22 LEU 71 HD22 LEU 71 -9.134 -5.803 -3.367 567 HD23 LEU 71 HD23 LEU 71 -10.501 -5.395 -2.333 568 H LYS 72 H LYS 72 -5.559 -8.225 -1.317 569 HA LYS 72 HA LYS 72 -7.939 -9.767 -1.182 570 HB2 LYS 72 HB2 LYS 72 -6.984 -10.117 -3.584 571 HB3 LYS 72 HB3 LYS 72 -5.714 -11.027 -2.785 572 HG2 LYS 72 HG2 LYS 72 -7.503 -12.474 -1.783 573 HG3 LYS 72 HG3 LYS 72 -8.652 -11.657 -2.847 574 HD2 LYS 72 HD2 LYS 72 -7.355 -12.369 -4.797 575 HD3 LYS 72 HD3 LYS 72 -6.203 -13.184 -3.737 576 HE2 LYS 72 HE2 LYS 72 -7.725 -14.815 -4.630 577 HE3 LYS 72 HE3 LYS 72 -8.055 -14.614 -2.910 578 HZ1 LYS 72 HZ1 LYS 72 -9.890 -13.115 -3.517 579 HZ2 LYS 72 HZ2 LYS 72 -10.109 -14.685 -4.117 580 HZ3 LYS 72 HZ3 LYS 72 -9.602 -13.448 -5.154 581 H GLU 73 H GLU 73 -6.017 -8.714 0.625 582 HA GLU 73 HA GLU 73 -4.469 -9.150 2.221 583 HB2 GLU 73 HB2 GLU 73 -5.365 -12.022 1.877 584 HB3 GLU 73 HB3 GLU 73 -4.404 -11.404 3.213 585 HG2 GLU 73 HG2 GLU 73 -6.225 -10.047 3.971 586 HG3 GLU 73 HG3 GLU 73 -7.181 -10.470 2.551 587 H MET 74 H MET 74 -3.930 -12.330 0.889 588 HA MET 74 HA MET 74 -1.305 -11.440 -0.054 589 HB2 MET 74 HB2 MET 74 -0.799 -13.901 -0.159 590 HB3 MET 74 HB3 MET 74 -1.134 -13.283 1.451 591 HG2 MET 74 HG2 MET 74 -3.454 -14.149 1.231 592 HG3 MET 74 HG3 MET 74 -2.982 -14.886 -0.300 593 HE1 MET 74 HE1 MET 74 -1.148 -16.020 3.776 594 HE2 MET 74 HE2 MET 74 -0.816 -14.497 2.954 595 HE3 MET 74 HE3 MET 74 -2.429 -14.828 3.581 596 H GLU 75 H GLU 75 -1.587 -10.620 -2.052 597 HA GLU 75 HA GLU 75 -3.330 -12.073 -3.891 598 HB2 GLU 75 HB2 GLU 75 -4.084 -9.856 -3.349 599 HB3 GLU 75 HB3 GLU 75 -2.518 -9.180 -3.751 600 HG2 GLU 75 HG2 GLU 75 -4.221 -8.701 -5.436 601 HG3 GLU 75 HG3 GLU 75 -2.879 -9.638 -6.094 602 H THR 76 H THR 76 -1.131 -9.647 -5.047 603 HA THR 76 HA THR 76 -0.084 -11.689 -6.874 604 HB THR 76 HB THR 76 0.570 -9.408 -8.124 605 HG1 THR 76 HG1 THR 76 -1.905 -8.561 -7.270 606 HG21 THR 76 HG21 THR 76 -2.169 -10.687 -8.120 607 HG22 THR 76 HG22 THR 76 -0.774 -11.225 -9.055 608 HG23 THR 76 HG23 THR 76 -1.516 -9.661 -9.394 609 HA PRO 77 HA PRO 77 4.214 -12.079 -6.217 610 HB2 PRO 77 HB2 PRO 77 4.436 -10.128 -8.480 611 HB3 PRO 77 HB3 PRO 77 5.389 -11.583 -8.160 612 HG2 PRO 77 HG2 PRO 77 3.257 -11.546 -9.856 613 HG3 PRO 77 HG3 PRO 77 3.757 -12.983 -8.950 614 HD2 PRO 77 HD2 PRO 77 1.337 -11.431 -8.667 615 HD3 PRO 77 HD3 PRO 77 1.796 -12.924 -7.827 616 H LEU 78 H LEU 78 5.604 -11.301 -4.892 617 HA LEU 78 HA LEU 78 5.223 -8.872 -3.525 618 HB2 LEU 78 HB2 LEU 78 7.432 -10.897 -3.413 619 HB3 LEU 78 HB3 LEU 78 7.277 -9.558 -2.295 620 HG LEU 78 HG LEU 78 4.923 -10.524 -1.871 621 HD11 LEU 78 HD11 LEU 78 6.337 -12.961 -2.951 622 HD12 LEU 78 HD12 LEU 78 4.795 -12.964 -2.094 623 HD13 LEU 78 HD13 LEU 78 4.931 -12.172 -3.665 624 HD21 LEU 78 HD21 LEU 78 5.840 -11.979 -0.113 625 HD22 LEU 78 HD22 LEU 78 7.424 -11.879 -0.881 626 HD23 LEU 78 HD23 LEU 78 6.679 -10.430 -0.208 627 H SER 79 H SER 79 7.717 -9.856 -5.839 628 HA SER 79 HA SER 79 9.356 -7.608 -5.611 629 HB2 SER 79 HB2 SER 79 9.965 -9.610 -6.940 630 HB3 SER 79 HB3 SER 79 8.744 -9.173 -8.136 631 HG SER 79 HG SER 79 11.052 -7.664 -7.420 632 H ALA 80 H ALA 80 6.448 -8.142 -7.434 633 HA ALA 80 HA ALA 80 6.432 -5.544 -8.651 634 HB1 ALA 80 HB1 ALA 80 4.274 -7.638 -8.535 635 HB2 ALA 80 HB2 ALA 80 4.300 -6.220 -9.583 636 HB3 ALA 80 HB3 ALA 80 5.504 -7.494 -9.792 637 H LEU 81 H LEU 81 6.062 -6.327 -5.540 638 HA LEU 81 HA LEU 81 3.420 -5.469 -4.931 639 HB2 LEU 81 HB2 LEU 81 5.321 -6.935 -3.646 640 HB3 LEU 81 HB3 LEU 81 5.328 -5.457 -2.707 641 HG LEU 81 HG LEU 81 3.817 -6.889 -1.623 642 HD11 LEU 81 HD11 LEU 81 1.629 -5.862 -1.879 643 HD12 LEU 81 HD12 LEU 81 2.906 -4.644 -1.903 644 HD13 LEU 81 HD13 LEU 81 2.132 -5.142 -3.407 645 HD21 LEU 81 HD21 LEU 81 3.634 -8.549 -3.390 646 HD22 LEU 81 HD22 LEU 81 2.045 -8.112 -2.753 647 HD23 LEU 81 HD23 LEU 81 2.581 -7.467 -4.305 648 H GLY 82 H GLY 82 5.399 -3.386 -6.193 649 HA2 GLY 82 HA2 GLY 82 4.960 -1.011 -5.882 650 HA3 GLY 82 HA3 GLY 82 4.656 -1.353 -4.207 651 H MET 83 H MET 83 7.554 -2.443 -6.012 652 HA MET 83 HA MET 83 9.190 -1.387 -3.935 653 HB2 MET 83 HB2 MET 83 11.087 -2.001 -5.423 654 HB3 MET 83 HB3 MET 83 9.954 -3.311 -5.145 655 HG2 MET 83 HG2 MET 83 8.931 -2.833 -7.347 656 HG3 MET 83 HG3 MET 83 10.184 -1.622 -7.623 657 HE1 MET 83 HE1 MET 83 12.634 -3.147 -6.107 658 HE2 MET 83 HE2 MET 83 13.420 -3.903 -7.492 659 HE3 MET 83 HE3 MET 83 12.823 -2.247 -7.611 660 H GLN 84 H GLN 84 8.393 0.649 -3.890 661 HA GLN 84 HA GLN 84 10.330 2.525 -4.756 662 HB2 GLN 84 HB2 GLN 84 8.229 4.125 -5.332 663 HB3 GLN 84 HB3 GLN 84 9.114 3.259 -6.579 664 HG2 GLN 84 HG2 GLN 84 7.388 1.395 -6.220 665 HG3 GLN 84 HG3 GLN 84 6.445 2.630 -5.385 666 HE21 GLN 84 HE21 GLN 84 5.949 1.157 -7.874 667 HE22 GLN 84 HE22 GLN 84 5.706 2.354 -9.100 668 H ASN 85 H ASN 85 9.524 4.683 -3.261 669 HA ASN 85 HA ASN 85 8.976 3.604 -0.716 670 HB2 ASN 85 HB2 ASN 85 8.243 5.910 -0.031 671 HB3 ASN 85 HB3 ASN 85 9.818 5.893 -0.823 672 HD21 ASN 85 HD21 ASN 85 7.935 8.071 -0.496 673 HD22 ASN 85 HD22 ASN 85 7.567 8.626 -2.087 674 H GLY 86 H GLY 86 7.342 2.316 -0.497 675 HA2 GLY 86 HA2 GLY 86 5.301 1.480 -0.265 676 HA3 GLY 86 HA3 GLY 86 4.747 3.135 -0.036 677 H CYS 87 H CYS 87 5.687 3.543 -2.959 678 HA CYS 87 HA CYS 87 4.656 3.926 -4.880 679 HB2 CYS 87 HB2 CYS 87 3.659 2.174 -6.082 680 HB3 CYS 87 HB3 CYS 87 5.050 1.543 -5.231 681 HG CYS 87 HG CYS 87 2.788 0.856 -3.184 682 H ARG 88 H ARG 88 1.882 2.484 -5.363 683 HA ARG 88 HA ARG 88 0.293 4.380 -3.770 684 HB2 ARG 88 HB2 ARG 88 -0.238 3.779 -6.683 685 HB3 ARG 88 HB3 ARG 88 -1.124 4.893 -5.658 686 HG2 ARG 88 HG2 ARG 88 0.141 6.350 -6.847 687 HG3 ARG 88 HG3 ARG 88 1.220 6.068 -5.479 688 HD2 ARG 88 HD2 ARG 88 2.607 4.656 -6.716 689 HD3 ARG 88 HD3 ARG 88 1.383 4.390 -7.960 690 HE ARG 88 HE ARG 88 1.838 7.028 -8.177 691 HH11 ARG 88 HH11 ARG 88 3.994 4.274 -8.068 692 HH12 ARG 88 HH12 ARG 88 5.239 5.046 -8.991 693 HH21 ARG 88 HH21 ARG 88 3.430 8.027 -9.440 694 HH22 ARG 88 HH22 ARG 88 4.916 7.193 -9.777 695 H VAL 89 H VAL 89 -1.773 3.688 -3.262 696 HA VAL 89 HA VAL 89 -2.928 1.295 -4.420 697 HB VAL 89 HB VAL 89 -3.531 0.422 -2.095 698 HG11 VAL 89 HG11 VAL 89 -1.978 -0.773 -3.525 699 HG12 VAL 89 HG12 VAL 89 -0.650 0.236 -2.952 700 HG13 VAL 89 HG13 VAL 89 -1.462 -0.867 -1.841 701 HG21 VAL 89 HG21 VAL 89 -1.177 2.123 -1.300 702 HG22 VAL 89 HG22 VAL 89 -2.855 2.374 -0.820 703 HG23 VAL 89 HG23 VAL 89 -1.989 0.937 -0.277 704 H MET 90 H MET 90 -4.868 2.143 -5.050 705 HA MET 90 HA MET 90 -6.198 3.616 -2.889 706 HB2 MET 90 HB2 MET 90 -6.713 5.391 -4.017 707 HB3 MET 90 HB3 MET 90 -5.491 4.881 -5.172 708 HG2 MET 90 HG2 MET 90 -8.355 4.042 -5.434 709 HG3 MET 90 HG3 MET 90 -7.797 5.601 -6.034 710 HE1 MET 90 HE1 MET 90 -9.238 3.366 -7.826 711 HE2 MET 90 HE2 MET 90 -8.729 4.944 -8.427 712 HE3 MET 90 HE3 MET 90 -8.263 3.480 -9.293 713 H LEU 91 H LEU 91 -8.124 3.196 -2.358 714 HA LEU 91 HA LEU 91 -9.320 0.875 -3.645 715 HB2 LEU 91 HB2 LEU 91 -10.378 0.347 -1.544 716 HB3 LEU 91 HB3 LEU 91 -8.648 0.430 -1.364 717 HG LEU 91 HG LEU 91 -9.434 1.351 0.598 718 HD11 LEU 91 HD11 LEU 91 -8.994 3.738 0.605 719 HD12 LEU 91 HD12 LEU 91 -7.790 2.844 -0.323 720 HD13 LEU 91 HD13 LEU 91 -9.050 3.753 -1.157 721 HD21 LEU 91 HD21 LEU 91 -11.525 2.854 -0.964 722 HD22 LEU 91 HD22 LEU 91 -11.781 1.453 0.078 723 HD23 LEU 91 HD23 LEU 91 -11.263 2.987 0.775 724 H ILE 92 H ILE 92 -11.217 1.033 -4.562 725 HA ILE 92 HA ILE 92 -12.678 3.519 -4.071 726 HB ILE 92 HB ILE 92 -12.973 1.578 -6.381 727 HG12 ILE 92 HG12 ILE 92 -11.780 4.360 -6.285 728 HG13 ILE 92 HG13 ILE 92 -10.879 2.860 -6.474 729 HG21 ILE 92 HG21 ILE 92 -14.467 3.237 -7.361 730 HG22 ILE 92 HG22 ILE 92 -15.081 2.684 -5.804 731 HG23 ILE 92 HG23 ILE 92 -14.291 4.256 -5.933 732 HD11 ILE 92 HD11 ILE 92 -11.999 2.457 -8.601 733 HD12 ILE 92 HD12 ILE 92 -12.892 3.967 -8.413 734 HD13 ILE 92 HD13 ILE 92 -11.137 3.996 -8.595 735 H GLY 93 H GLY 93 -14.119 3.360 -2.645 736 HA2 GLY 93 HA2 GLY 93 -16.457 1.996 -2.780 737 HA3 GLY 93 HA3 GLY 93 -15.382 0.875 -1.948 738 H GLU 94 H GLU 94 -14.500 1.463 0.075 739 HA GLU 94 HA GLU 94 -15.670 3.801 1.342 740 HB2 GLU 94 HB2 GLU 94 -17.099 1.555 1.422 741 HB3 GLU 94 HB3 GLU 94 -16.028 1.236 2.782 742 HG2 GLU 94 HG2 GLU 94 -18.151 2.314 3.435 743 HG3 GLU 94 HG3 GLU 94 -16.714 3.226 3.897 744 H LYS 95 H LYS 95 -13.990 4.742 2.290 745 HA LYS 95 HA LYS 95 -12.080 3.116 3.790 746 HB2 LYS 95 HB2 LYS 95 -12.150 5.949 2.874 747 HB3 LYS 95 HB3 LYS 95 -11.300 5.603 4.370 748 HG2 LYS 95 HG2 LYS 95 -9.997 3.864 3.065 749 HG3 LYS 95 HG3 LYS 95 -10.694 4.592 1.613 750 HD2 LYS 95 HD2 LYS 95 -9.765 6.749 2.211 751 HD3 LYS 95 HD3 LYS 95 -9.126 6.083 3.712 752 HE2 LYS 95 HE2 LYS 95 -7.640 4.617 2.457 753 HE3 LYS 95 HE3 LYS 95 -8.320 5.218 0.938 754 HZ1 LYS 95 HZ1 LYS 95 -6.242 6.330 1.461 755 HZ2 LYS 95 HZ2 LYS 95 -6.865 6.857 2.941 756 HZ3 LYS 95 HZ3 LYS 95 -7.525 7.436 1.495 757 H SER 96 H SER 96 -14.275 2.591 4.888 758 HA SER 96 HA SER 96 -15.363 4.609 6.608 759 HB2 SER 96 HB2 SER 96 -16.636 2.674 5.544 760 HB3 SER 96 HB3 SER 96 -15.884 1.639 6.758 761 HG SER 96 HG SER 96 -16.964 2.692 8.355 762 H ASN 97 H ASN 97 -13.869 5.293 8.081 763 HA ASN 97 HA ASN 97 -12.342 3.520 9.706 764 HB2 ASN 97 HB2 ASN 97 -11.558 5.785 9.410 765 HB3 ASN 97 HB3 ASN 97 -13.061 6.437 10.051 766 HD21 ASN 97 HD21 ASN 97 -10.124 4.717 10.844 767 HD22 ASN 97 HD22 ASN 97 -10.157 5.056 12.543 Start of MODEL 14 1 H1 MET 1 H1 MET 1 4.224 14.927 -10.881 2 H2 MET 1 H2 MET 1 5.730 15.015 -10.110 3 H3 MET 1 H3 MET 1 4.519 16.131 -9.720 4 HA MET 1 HA MET 1 4.726 14.482 -7.998 5 HB2 MET 1 HB2 MET 1 2.211 14.197 -9.660 6 HB3 MET 1 HB3 MET 1 2.374 13.656 -7.994 7 HG2 MET 1 HG2 MET 1 2.611 16.496 -8.959 8 HG3 MET 1 HG3 MET 1 1.226 15.790 -8.128 9 HE1 MET 1 HE1 MET 1 2.738 18.466 -7.203 10 HE2 MET 1 HE2 MET 1 1.321 17.797 -6.392 11 HE3 MET 1 HE3 MET 1 2.756 18.217 -5.458 12 H ALA 2 H ALA 2 6.507 13.197 -9.128 13 HA ALA 2 HA ALA 2 5.551 10.725 -10.351 14 HB1 ALA 2 HB1 ALA 2 8.362 11.773 -10.036 15 HB2 ALA 2 HB2 ALA 2 7.879 10.351 -10.960 16 HB3 ALA 2 HB3 ALA 2 7.349 11.954 -11.470 17 H LYS 3 H LYS 3 7.052 8.788 -9.752 18 HA LYS 3 HA LYS 3 8.027 8.701 -7.054 19 HB2 LYS 3 HB2 LYS 3 5.390 8.207 -7.150 20 HB3 LYS 3 HB3 LYS 3 5.967 6.607 -7.599 21 HG2 LYS 3 HG2 LYS 3 7.363 6.602 -5.535 22 HG3 LYS 3 HG3 LYS 3 6.598 8.120 -5.072 23 HD2 LYS 3 HD2 LYS 3 4.386 6.746 -5.438 24 HD3 LYS 3 HD3 LYS 3 5.460 5.360 -5.191 25 HE2 LYS 3 HE2 LYS 3 4.560 5.927 -3.075 26 HE3 LYS 3 HE3 LYS 3 6.246 6.445 -3.085 27 HZ1 LYS 3 HZ1 LYS 3 5.460 8.719 -3.594 28 HZ2 LYS 3 HZ2 LYS 3 4.875 8.152 -2.103 29 HZ3 LYS 3 HZ3 LYS 3 3.861 8.184 -3.455 30 H THR 4 H THR 4 8.196 5.977 -6.750 31 HA THR 4 HA THR 4 9.084 4.019 -7.479 32 HB THR 4 HB THR 4 9.143 5.074 -10.312 33 HG1 THR 4 HG1 THR 4 6.991 4.649 -8.710 34 HG21 THR 4 HG21 THR 4 8.863 2.717 -10.903 35 HG22 THR 4 HG22 THR 4 8.797 2.283 -9.196 36 HG23 THR 4 HG23 THR 4 10.288 2.927 -9.882 37 H GLU 5 H GLU 5 10.550 6.675 -6.974 38 HA GLU 5 HA GLU 5 13.180 5.633 -7.760 39 HB2 GLU 5 HB2 GLU 5 12.529 7.413 -9.344 40 HB3 GLU 5 HB3 GLU 5 12.326 8.523 -7.997 41 HG2 GLU 5 HG2 GLU 5 14.661 8.449 -7.504 42 HG3 GLU 5 HG3 GLU 5 14.919 7.176 -8.699 43 H GLU 6 H GLU 6 11.131 7.193 -5.530 44 HA GLU 6 HA GLU 6 12.916 8.431 -3.778 45 HB2 GLU 6 HB2 GLU 6 10.198 7.212 -3.441 46 HB3 GLU 6 HB3 GLU 6 11.015 7.974 -2.093 47 HG2 GLU 6 HG2 GLU 6 9.447 9.500 -3.083 48 HG3 GLU 6 HG3 GLU 6 11.083 10.081 -3.408 49 H MET 7 H MET 7 11.069 5.597 -2.873 50 HA MET 7 HA MET 7 11.316 4.170 -1.171 51 HB2 MET 7 HB2 MET 7 13.469 3.711 -2.952 52 HB3 MET 7 HB3 MET 7 14.089 3.524 -1.312 53 HG2 MET 7 HG2 MET 7 12.235 2.015 -0.803 54 HG3 MET 7 HG3 MET 7 11.683 2.144 -2.475 55 HE1 MET 7 HE1 MET 7 14.453 2.146 -4.081 56 HE2 MET 7 HE2 MET 7 14.652 0.425 -4.416 57 HE3 MET 7 HE3 MET 7 13.061 1.174 -4.562 58 H VAL 8 H VAL 8 11.310 6.634 -0.254 59 HA VAL 8 HA VAL 8 12.431 6.340 2.305 60 HB VAL 8 HB VAL 8 14.569 6.882 1.303 61 HG11 VAL 8 HG11 VAL 8 13.866 7.968 -0.735 62 HG12 VAL 8 HG12 VAL 8 13.275 9.358 0.175 63 HG13 VAL 8 HG13 VAL 8 15.002 9.001 0.133 64 HG21 VAL 8 HG21 VAL 8 14.173 7.815 3.506 65 HG22 VAL 8 HG22 VAL 8 15.194 8.895 2.558 66 HG23 VAL 8 HG23 VAL 8 13.487 9.273 2.790 67 H GLN 9 H GLN 9 10.058 6.728 2.378 68 HA GLN 9 HA GLN 9 9.774 9.608 2.993 69 HB2 GLN 9 HB2 GLN 9 7.880 7.802 1.623 70 HB3 GLN 9 HB3 GLN 9 7.190 8.895 2.812 71 HG2 GLN 9 HG2 GLN 9 8.863 9.699 0.443 72 HG3 GLN 9 HG3 GLN 9 7.108 9.834 0.571 73 HE21 GLN 9 HE21 GLN 9 6.226 11.355 2.018 74 HE22 GLN 9 HE22 GLN 9 7.150 12.706 2.569 75 H THR 10 H THR 10 8.329 6.427 3.877 76 HA THR 10 HA THR 10 8.393 7.347 6.677 77 HB THR 10 HB THR 10 6.332 5.445 5.543 78 HG1 THR 10 HG1 THR 10 4.920 7.307 5.576 79 HG21 THR 10 HG21 THR 10 6.668 5.319 7.960 80 HG22 THR 10 HG22 THR 10 5.094 6.023 7.590 81 HG23 THR 10 HG23 THR 10 6.425 7.061 8.104 82 H GLU 11 H GLU 11 9.857 6.166 7.806 83 HA GLU 11 HA GLU 11 10.262 3.396 6.924 84 HB2 GLU 11 HB2 GLU 11 12.187 4.795 6.619 85 HB3 GLU 11 HB3 GLU 11 12.168 5.261 8.303 86 HG2 GLU 11 HG2 GLU 11 12.774 3.049 8.980 87 HG3 GLU 11 HG3 GLU 11 12.556 2.444 7.336 88 H GLU 12 H GLU 12 10.193 1.784 8.144 89 HA GLU 12 HA GLU 12 9.823 1.953 11.052 90 HB2 GLU 12 HB2 GLU 12 7.709 1.364 9.917 91 HB3 GLU 12 HB3 GLU 12 8.520 0.084 9.037 92 HG2 GLU 12 HG2 GLU 12 7.120 -0.727 10.881 93 HG3 GLU 12 HG3 GLU 12 8.812 -1.188 11.042 94 H MET 13 H MET 13 10.248 -0.687 11.712 95 HA MET 13 HA MET 13 13.011 -0.751 11.728 96 HB2 MET 13 HB2 MET 13 11.003 -2.917 12.276 97 HB3 MET 13 HB3 MET 13 12.729 -3.146 12.520 98 HG2 MET 13 HG2 MET 13 12.779 -1.374 14.151 99 HG3 MET 13 HG3 MET 13 11.085 -1.000 13.843 100 HE1 MET 13 HE1 MET 13 10.799 -1.113 16.525 101 HE2 MET 13 HE2 MET 13 11.139 -2.557 17.480 102 HE3 MET 13 HE3 MET 13 12.464 -1.645 16.759 103 H GLU 14 H GLU 14 10.884 -2.623 9.470 104 HA GLU 14 HA GLU 14 13.387 -3.515 8.205 105 HB2 GLU 14 HB2 GLU 14 11.787 -5.291 8.834 106 HB3 GLU 14 HB3 GLU 14 10.609 -4.581 7.745 107 HG2 GLU 14 HG2 GLU 14 11.638 -6.456 6.659 108 HG3 GLU 14 HG3 GLU 14 12.165 -4.979 5.850 109 H THR 15 H THR 15 10.784 -1.352 7.721 110 HA THR 15 HA THR 15 10.719 -1.438 4.851 111 HB THR 15 HB THR 15 9.317 0.472 4.930 112 HG1 THR 15 HG1 THR 15 10.983 1.154 6.905 113 HG21 THR 15 HG21 THR 15 8.266 -1.497 5.942 114 HG22 THR 15 HG22 THR 15 7.700 -0.016 6.714 115 HG23 THR 15 HG23 THR 15 8.897 -1.030 7.520 116 HA PRO 16 HA PRO 16 14.240 1.185 4.319 117 HB2 PRO 16 HB2 PRO 16 14.135 1.387 1.636 118 HB3 PRO 16 HB3 PRO 16 14.548 -0.126 2.448 119 HG2 PRO 16 HG2 PRO 16 12.106 0.594 0.995 120 HG3 PRO 16 HG3 PRO 16 12.747 -1.007 1.396 121 HD2 PRO 16 HD2 PRO 16 10.673 0.515 2.751 122 HD3 PRO 16 HD3 PRO 16 11.239 -1.154 3.082 123 H ARG 17 H ARG 17 11.929 2.463 5.222 124 HA ARG 17 HA ARG 17 10.886 4.476 5.379 125 HB2 ARG 17 HB2 ARG 17 13.307 5.225 4.889 126 HB3 ARG 17 HB3 ARG 17 12.759 5.513 3.251 127 HG2 ARG 17 HG2 ARG 17 12.463 7.587 4.078 128 HG3 ARG 17 HG3 ARG 17 10.900 6.904 4.541 129 HD2 ARG 17 HD2 ARG 17 11.944 8.144 6.357 130 HD3 ARG 17 HD3 ARG 17 11.704 6.439 6.725 131 HE ARG 17 HE ARG 17 14.118 6.133 6.253 132 HH11 ARG 17 HH11 ARG 17 12.949 9.346 7.007 133 HH12 ARG 17 HH12 ARG 17 14.440 9.853 7.755 134 HH21 ARG 17 HH21 ARG 17 16.094 6.810 7.208 135 HH22 ARG 17 HH22 ARG 17 16.223 8.422 7.853 136 H LEU 18 H LEU 18 9.345 2.910 4.109 137 HA LEU 18 HA LEU 18 8.856 4.129 1.484 138 HB2 LEU 18 HB2 LEU 18 8.703 1.354 2.441 139 HB3 LEU 18 HB3 LEU 18 7.471 1.892 1.320 140 HG LEU 18 HG LEU 18 9.057 2.410 -0.368 141 HD11 LEU 18 HD11 LEU 18 11.450 2.191 -0.024 142 HD12 LEU 18 HD12 LEU 18 10.736 3.440 0.996 143 HD13 LEU 18 HD13 LEU 18 11.172 1.879 1.690 144 HD21 LEU 18 HD21 LEU 18 8.486 0.037 -0.143 145 HD22 LEU 18 HD22 LEU 18 10.137 0.252 -0.728 146 HD23 LEU 18 HD23 LEU 18 9.846 -0.187 0.955 147 H SER 19 H SER 19 7.183 5.284 1.201 148 HA SER 19 HA SER 19 4.816 4.941 2.880 149 HB2 SER 19 HB2 SER 19 5.563 6.984 3.597 150 HB3 SER 19 HB3 SER 19 6.360 7.341 2.057 151 HG SER 19 HG SER 19 3.951 8.131 2.907 152 H VAL 20 H VAL 20 3.067 4.553 1.848 153 HA VAL 20 HA VAL 20 2.982 4.710 -1.072 154 HB VAL 20 HB VAL 20 2.641 2.484 0.025 155 HG11 VAL 20 HG11 VAL 20 1.462 3.196 1.999 156 HG12 VAL 20 HG12 VAL 20 0.121 3.791 1.018 157 HG13 VAL 20 HG13 VAL 20 0.466 2.064 1.083 158 HG21 VAL 20 HG21 VAL 20 1.780 2.902 -2.213 159 HG22 VAL 20 HG22 VAL 20 0.700 1.842 -1.309 160 HG23 VAL 20 HG23 VAL 20 0.285 3.542 -1.528 161 H ILE 21 H ILE 21 1.098 5.344 -2.090 162 HA ILE 21 HA ILE 21 -0.400 7.485 -0.757 163 HB ILE 21 HB ILE 21 -0.488 6.574 -3.628 164 HG12 ILE 21 HG12 ILE 21 1.399 8.610 -2.437 165 HG13 ILE 21 HG13 ILE 21 1.853 6.945 -2.820 166 HG21 ILE 21 HG21 ILE 21 -1.068 8.916 -4.055 167 HG22 ILE 21 HG22 ILE 21 -2.222 8.126 -2.980 168 HG23 ILE 21 HG23 ILE 21 -1.019 9.231 -2.319 169 HD11 ILE 21 HD11 ILE 21 0.909 9.034 -4.783 170 HD12 ILE 21 HD12 ILE 21 2.568 8.475 -4.564 171 HD13 ILE 21 HD13 ILE 21 1.337 7.369 -5.176 172 H VAL 22 H VAL 22 -2.191 6.797 0.286 173 HA VAL 22 HA VAL 22 -3.819 4.708 -1.005 174 HB VAL 22 HB VAL 22 -3.930 5.541 1.894 175 HG11 VAL 22 HG11 VAL 22 -5.228 3.484 2.161 176 HG12 VAL 22 HG12 VAL 22 -6.003 4.606 1.041 177 HG13 VAL 22 HG13 VAL 22 -5.130 3.201 0.425 178 HG21 VAL 22 HG21 VAL 22 -2.579 3.156 0.640 179 HG22 VAL 22 HG22 VAL 22 -1.773 4.524 1.409 180 HG23 VAL 22 HG23 VAL 22 -2.771 3.433 2.372 181 H THR 23 H THR 23 -5.529 5.436 -1.997 182 HA THR 23 HA THR 23 -6.817 7.859 -0.952 183 HB THR 23 HB THR 23 -5.771 7.282 -3.666 184 HG1 THR 23 HG1 THR 23 -5.774 9.776 -3.372 185 HG21 THR 23 HG21 THR 23 -8.198 7.470 -4.092 186 HG22 THR 23 HG22 THR 23 -7.314 8.853 -4.735 187 HG23 THR 23 HG23 THR 23 -8.221 9.010 -3.231 188 H HIS 24 H HIS 24 -8.961 7.973 -0.959 189 HA HIS 24 HA HIS 24 -10.592 5.961 -2.360 190 HB2 HIS 24 HB2 HIS 24 -10.740 5.057 -0.206 191 HB3 HIS 24 HB3 HIS 24 -10.556 6.618 0.576 192 HD1 HIS 24 HD1 HIS 24 -12.623 7.582 1.552 193 HD2 HIS 24 HD2 HIS 24 -13.462 4.734 -1.381 194 HE1 HIS 24 HE1 HIS 24 -15.118 7.262 1.598 195 HE2 HIS 24 HE2 HIS 24 -15.580 5.391 -0.028 196 H SER 25 H SER 25 -11.750 7.177 -3.765 197 HA SER 25 HA SER 25 -13.052 8.840 -4.640 198 HB2 SER 25 HB2 SER 25 -13.205 9.819 -1.772 199 HB3 SER 25 HB3 SER 25 -14.181 10.438 -3.095 200 HG SER 25 HG SER 25 -15.323 8.587 -3.150 201 H ASN 26 H ASN 26 -10.763 9.956 -2.236 202 HA ASN 26 HA ASN 26 -9.093 11.481 -3.844 203 HB2 ASN 26 HB2 ASN 26 -9.686 13.769 -3.151 204 HB3 ASN 26 HB3 ASN 26 -10.967 13.056 -4.120 205 HD21 ASN 26 HD21 ASN 26 -10.974 15.266 -2.195 206 HD22 ASN 26 HD22 ASN 26 -12.164 14.859 -1.004 207 H GLU 27 H GLU 27 -10.700 10.904 -0.907 208 HA GLU 27 HA GLU 27 -9.234 11.852 1.127 209 HB2 GLU 27 HB2 GLU 27 -11.265 10.413 1.179 210 HB3 GLU 27 HB3 GLU 27 -10.233 9.022 0.868 211 HG2 GLU 27 HG2 GLU 27 -8.986 9.563 2.932 212 HG3 GLU 27 HG3 GLU 27 -10.200 10.802 3.271 213 H ARG 28 H ARG 28 -7.167 11.752 1.736 214 HA ARG 28 HA ARG 28 -5.475 9.661 0.521 215 HB2 ARG 28 HB2 ARG 28 -5.046 11.801 -0.532 216 HB3 ARG 28 HB3 ARG 28 -4.864 12.578 1.033 217 HG2 ARG 28 HG2 ARG 28 -2.693 12.276 0.131 218 HG3 ARG 28 HG3 ARG 28 -2.881 11.105 1.437 219 HD2 ARG 28 HD2 ARG 28 -1.798 10.128 -0.548 220 HD3 ARG 28 HD3 ARG 28 -3.330 9.342 -0.162 221 HE ARG 28 HE ARG 28 -4.207 10.103 -2.138 222 HH11 ARG 28 HH11 ARG 28 -1.197 11.806 -1.516 223 HH12 ARG 28 HH12 ARG 28 -1.117 12.506 -3.100 224 HH21 ARG 28 HH21 ARG 28 -4.095 11.031 -4.228 225 HH22 ARG 28 HH22 ARG 28 -2.742 12.043 -4.655 226 H TYR 29 H TYR 29 -4.492 8.401 1.908 227 HA TYR 29 HA TYR 29 -3.588 9.559 4.448 228 HB2 TYR 29 HB2 TYR 29 -4.965 6.964 3.944 229 HB3 TYR 29 HB3 TYR 29 -3.719 7.014 5.186 230 HD1 TYR 29 HD1 TYR 29 -4.063 8.293 7.240 231 HD2 TYR 29 HD2 TYR 29 -7.053 8.153 4.216 232 HE1 TYR 29 HE1 TYR 29 -5.707 9.199 8.829 233 HE2 TYR 29 HE2 TYR 29 -8.704 9.058 5.796 234 HH TYR 29 HH TYR 29 -7.857 10.484 8.718 235 H ASP 30 H ASP 30 -1.489 9.322 4.891 236 HA ASP 30 HA ASP 30 0.260 8.039 2.961 237 HB2 ASP 30 HB2 ASP 30 0.847 10.154 4.197 238 HB3 ASP 30 HB3 ASP 30 0.898 9.225 5.690 239 H LEU 31 H LEU 31 0.781 5.948 3.046 240 HA LEU 31 HA LEU 31 0.439 4.509 5.599 241 HB2 LEU 31 HB2 LEU 31 -1.193 4.252 3.382 242 HB3 LEU 31 HB3 LEU 31 -0.048 2.943 3.171 243 HG LEU 31 HG LEU 31 -2.177 2.315 4.322 244 HD11 LEU 31 HD11 LEU 31 -1.069 1.006 6.097 245 HD12 LEU 31 HD12 LEU 31 -0.168 0.955 4.580 246 HD13 LEU 31 HD13 LEU 31 0.389 1.981 5.903 247 HD21 LEU 31 HD21 LEU 31 -2.410 2.963 6.685 248 HD22 LEU 31 HD22 LEU 31 -1.020 4.036 6.530 249 HD23 LEU 31 HD23 LEU 31 -2.491 4.359 5.611 250 H LEU 32 H LEU 32 1.816 2.494 5.719 251 HA LEU 32 HA LEU 32 4.275 3.061 4.204 252 HB2 LEU 32 HB2 LEU 32 5.018 3.671 6.234 253 HB3 LEU 32 HB3 LEU 32 3.791 2.734 7.085 254 HG LEU 32 HG LEU 32 6.074 1.279 5.808 255 HD11 LEU 32 HD11 LEU 32 7.144 3.142 6.962 256 HD12 LEU 32 HD12 LEU 32 6.226 2.775 8.424 257 HD13 LEU 32 HD13 LEU 32 7.422 1.628 7.820 258 HD21 LEU 32 HD21 LEU 32 4.490 0.915 8.352 259 HD22 LEU 32 HD22 LEU 32 4.283 0.009 6.855 260 HD23 LEU 32 HD23 LEU 32 5.773 -0.155 7.785 261 H VAL 33 H VAL 33 5.433 1.424 3.378 262 HA VAL 33 HA VAL 33 4.001 -0.853 2.565 263 HB VAL 33 HB VAL 33 6.613 0.330 1.957 264 HG11 VAL 33 HG11 VAL 33 7.761 -1.686 1.241 265 HG12 VAL 33 HG12 VAL 33 7.497 -1.714 2.985 266 HG13 VAL 33 HG13 VAL 33 6.476 -2.685 1.924 267 HG21 VAL 33 HG21 VAL 33 4.781 -1.519 0.436 268 HG22 VAL 33 HG22 VAL 33 4.732 0.244 0.419 269 HG23 VAL 33 HG23 VAL 33 6.127 -0.609 -0.244 270 H THR 34 H THR 34 4.521 -3.124 2.961 271 HA THR 34 HA THR 34 4.527 -3.317 5.841 272 HB THR 34 HB THR 34 4.025 -5.502 3.821 273 HG1 THR 34 HG1 THR 34 2.648 -3.424 3.880 274 HG21 THR 34 HG21 THR 34 3.182 -5.218 6.713 275 HG22 THR 34 HG22 THR 34 4.447 -6.290 6.111 276 HG23 THR 34 HG23 THR 34 2.768 -6.553 5.638 277 HA PRO 35 HA PRO 35 8.793 -4.386 5.996 278 HB2 PRO 35 HB2 PRO 35 8.815 -4.865 8.684 279 HB3 PRO 35 HB3 PRO 35 8.884 -3.248 7.975 280 HG2 PRO 35 HG2 PRO 35 6.547 -4.731 9.110 281 HG3 PRO 35 HG3 PRO 35 6.982 -3.021 9.287 282 HD2 PRO 35 HD2 PRO 35 5.068 -3.845 7.577 283 HD3 PRO 35 HD3 PRO 35 6.119 -2.459 7.221 284 H GLN 36 H GLN 36 10.095 -6.104 6.481 285 HA GLN 36 HA GLN 36 10.792 -8.166 7.095 286 HB2 GLN 36 HB2 GLN 36 7.903 -8.805 7.687 287 HB3 GLN 36 HB3 GLN 36 9.264 -9.869 8.005 288 HG2 GLN 36 HG2 GLN 36 10.185 -8.191 9.552 289 HG3 GLN 36 HG3 GLN 36 8.766 -7.182 9.267 290 HE21 GLN 36 HE21 GLN 36 8.102 -7.258 11.401 291 HE22 GLN 36 HE22 GLN 36 7.438 -8.685 12.114 292 H GLN 37 H GLN 37 9.646 -7.233 4.451 293 HA GLN 37 HA GLN 37 9.372 -9.882 3.215 294 HB2 GLN 37 HB2 GLN 37 8.058 -7.471 2.626 295 HB3 GLN 37 HB3 GLN 37 9.286 -7.641 1.384 296 HG2 GLN 37 HG2 GLN 37 7.050 -9.532 1.998 297 HG3 GLN 37 HG3 GLN 37 7.385 -8.665 0.495 298 HE21 GLN 37 HE21 GLN 37 8.174 -11.412 2.464 299 HE22 GLN 37 HE22 GLN 37 9.148 -12.229 1.289 300 H GLY 38 H GLY 38 11.572 -7.298 3.671 301 HA2 GLY 38 HA2 GLY 38 13.860 -7.641 2.671 302 HA3 GLY 38 HA3 GLY 38 12.997 -7.933 1.157 303 H ASN 39 H ASN 39 11.267 -5.787 2.848 304 HA ASN 39 HA ASN 39 10.832 -3.633 2.931 305 HB2 ASN 39 HB2 ASN 39 12.598 -1.943 2.992 306 HB3 ASN 39 HB3 ASN 39 12.892 -3.297 4.077 307 HD21 ASN 39 HD21 ASN 39 13.879 -1.792 1.060 308 HD22 ASN 39 HD22 ASN 39 15.455 -2.498 1.008 309 H SER 40 H SER 40 12.755 -4.510 0.156 310 HA SER 40 HA SER 40 11.795 -2.231 -1.340 311 HB2 SER 40 HB2 SER 40 13.484 -4.619 -2.108 312 HB3 SER 40 HB3 SER 40 13.097 -3.272 -3.197 313 HG SER 40 HG SER 40 14.320 -1.927 -1.994 314 H GLU 41 H GLU 41 10.889 -5.515 -0.777 315 HA GLU 41 HA GLU 41 9.039 -5.418 -3.059 316 HB2 GLU 41 HB2 GLU 41 10.549 -7.856 -2.082 317 HB3 GLU 41 HB3 GLU 41 9.401 -7.810 -3.413 318 HG2 GLU 41 HG2 GLU 41 10.873 -6.473 -4.727 319 HG3 GLU 41 HG3 GLU 41 11.975 -6.263 -3.366 320 HA PRO 42 HA PRO 42 6.905 -5.719 0.977 321 HB2 PRO 42 HB2 PRO 42 4.629 -4.890 -0.730 322 HB3 PRO 42 HB3 PRO 42 5.215 -4.198 0.787 323 HG2 PRO 42 HG2 PRO 42 5.637 -2.949 -1.521 324 HG3 PRO 42 HG3 PRO 42 6.886 -2.979 -0.261 325 HD2 PRO 42 HD2 PRO 42 6.683 -4.599 -2.768 326 HD3 PRO 42 HD3 PRO 42 8.105 -3.826 -2.035 327 H VAL 43 H VAL 43 4.938 -6.872 1.714 328 HA VAL 43 HA VAL 43 5.032 -9.517 0.605 329 HB VAL 43 HB VAL 43 3.499 -10.128 2.431 330 HG11 VAL 43 HG11 VAL 43 5.852 -10.225 2.891 331 HG12 VAL 43 HG12 VAL 43 5.892 -8.500 3.259 332 HG13 VAL 43 HG13 VAL 43 5.019 -9.609 4.317 333 HG21 VAL 43 HG21 VAL 43 2.198 -8.097 2.597 334 HG22 VAL 43 HG22 VAL 43 2.940 -8.461 4.155 335 HG23 VAL 43 HG23 VAL 43 3.620 -7.200 3.127 336 H VAL 44 H VAL 44 3.049 -10.796 0.181 337 HA VAL 44 HA VAL 44 1.390 -9.739 -1.802 338 HB VAL 44 HB VAL 44 -0.122 -11.661 -1.372 339 HG11 VAL 44 HG11 VAL 44 2.820 -12.297 -1.430 340 HG12 VAL 44 HG12 VAL 44 1.529 -13.413 -1.875 341 HG13 VAL 44 HG13 VAL 44 1.790 -11.945 -2.816 342 HG21 VAL 44 HG21 VAL 44 0.033 -11.788 1.048 343 HG22 VAL 44 HG22 VAL 44 0.513 -13.326 0.328 344 HG23 VAL 44 HG23 VAL 44 1.740 -12.216 0.937 345 H GLN 45 H GLN 45 1.166 -9.659 1.602 346 HA GLN 45 HA GLN 45 -1.547 -8.885 1.896 347 HB2 GLN 45 HB2 GLN 45 0.766 -8.383 3.770 348 HB3 GLN 45 HB3 GLN 45 -0.939 -8.300 4.179 349 HG2 GLN 45 HG2 GLN 45 -1.172 -10.680 3.843 350 HG3 GLN 45 HG3 GLN 45 0.504 -10.788 3.300 351 HE21 GLN 45 HE21 GLN 45 -0.825 -12.109 5.561 352 HE22 GLN 45 HE22 GLN 45 0.077 -11.654 6.965 353 H ASP 46 H ASP 46 1.353 -7.101 1.050 354 HA ASP 46 HA ASP 46 0.910 -4.851 2.667 355 HB2 ASP 46 HB2 ASP 46 3.097 -5.042 2.040 356 HB3 ASP 46 HB3 ASP 46 2.730 -5.474 0.378 357 H LEU 47 H LEU 47 0.196 -5.246 -0.826 358 HA LEU 47 HA LEU 47 -0.626 -2.628 -1.204 359 HB2 LEU 47 HB2 LEU 47 -1.336 -3.344 -3.274 360 HB3 LEU 47 HB3 LEU 47 -0.095 -4.485 -2.880 361 HG LEU 47 HG LEU 47 -3.032 -5.066 -2.539 362 HD11 LEU 47 HD11 LEU 47 -2.851 -6.342 -4.592 363 HD12 LEU 47 HD12 LEU 47 -2.500 -4.638 -4.880 364 HD13 LEU 47 HD13 LEU 47 -1.183 -5.807 -4.792 365 HD21 LEU 47 HD21 LEU 47 -0.610 -6.859 -2.617 366 HD22 LEU 47 HD22 LEU 47 -1.525 -6.430 -1.173 367 HD23 LEU 47 HD23 LEU 47 -2.286 -7.381 -2.447 368 H ALA 48 H ALA 48 -2.407 -5.492 -0.190 369 HA ALA 48 HA ALA 48 -4.960 -4.261 0.002 370 HB1 ALA 48 HB1 ALA 48 -5.540 -6.226 1.374 371 HB2 ALA 48 HB2 ALA 48 -4.721 -6.679 -0.123 372 HB3 ALA 48 HB3 ALA 48 -3.838 -6.689 1.402 373 H GLN 49 H GLN 49 -2.220 -4.626 2.102 374 HA GLN 49 HA GLN 49 -3.450 -4.002 4.555 375 HB2 GLN 49 HB2 GLN 49 -1.283 -5.139 4.429 376 HB3 GLN 49 HB3 GLN 49 -0.565 -3.732 3.683 377 HG2 GLN 49 HG2 GLN 49 0.133 -3.365 5.791 378 HG3 GLN 49 HG3 GLN 49 -1.432 -2.565 5.883 379 HE21 GLN 49 HE21 GLN 49 -1.132 -6.028 5.730 380 HE22 GLN 49 HE22 GLN 49 -1.644 -6.345 7.350 381 H LEU 50 H LEU 50 -1.600 -2.158 2.257 382 HA LEU 50 HA LEU 50 -1.333 0.206 3.712 383 HB2 LEU 50 HB2 LEU 50 -1.585 -0.196 0.733 384 HB3 LEU 50 HB3 LEU 50 -0.931 1.232 1.512 385 HG LEU 50 HG LEU 50 0.316 -1.503 1.784 386 HD11 LEU 50 HD11 LEU 50 0.396 -0.809 -0.540 387 HD12 LEU 50 HD12 LEU 50 1.053 0.757 -0.061 388 HD13 LEU 50 HD13 LEU 50 1.993 -0.711 0.199 389 HD21 LEU 50 HD21 LEU 50 1.325 1.247 2.434 390 HD22 LEU 50 HD22 LEU 50 0.811 0.024 3.594 391 HD23 LEU 50 HD23 LEU 50 2.232 -0.257 2.591 392 H VAL 51 H VAL 51 -3.702 -0.620 1.222 393 HA VAL 51 HA VAL 51 -5.298 1.710 1.465 394 HB VAL 51 HB VAL 51 -5.154 -0.593 -0.115 395 HG11 VAL 51 HG11 VAL 51 -7.498 -1.204 -0.397 396 HG12 VAL 51 HG12 VAL 51 -6.909 -1.615 1.214 397 HG13 VAL 51 HG13 VAL 51 -7.924 -0.192 0.984 398 HG21 VAL 51 HG21 VAL 51 -6.584 0.733 -1.591 399 HG22 VAL 51 HG22 VAL 51 -6.896 1.844 -0.256 400 HG23 VAL 51 HG23 VAL 51 -5.262 1.670 -0.896 401 H GLU 52 H GLU 52 -5.252 -1.396 3.103 402 HA GLU 52 HA GLU 52 -7.747 -1.146 4.441 403 HB2 GLU 52 HB2 GLU 52 -6.866 -3.336 4.142 404 HB3 GLU 52 HB3 GLU 52 -5.326 -2.899 4.857 405 HG2 GLU 52 HG2 GLU 52 -6.382 -2.696 7.039 406 HG3 GLU 52 HG3 GLU 52 -7.942 -3.105 6.327 407 H GLU 53 H GLU 53 -4.367 -0.506 5.389 408 HA GLU 53 HA GLU 53 -5.009 -0.088 8.143 409 HB2 GLU 53 HB2 GLU 53 -2.817 -0.929 7.547 410 HB3 GLU 53 HB3 GLU 53 -2.491 0.491 6.562 411 HG2 GLU 53 HG2 GLU 53 -2.340 1.886 8.479 412 HG3 GLU 53 HG3 GLU 53 -2.959 0.615 9.535 413 H ALA 54 H ALA 54 -4.782 1.931 5.332 414 HA ALA 54 HA ALA 54 -4.507 4.427 6.551 415 HB1 ALA 54 HB1 ALA 54 -6.130 3.753 4.105 416 HB2 ALA 54 HB2 ALA 54 -5.533 5.349 4.552 417 HB3 ALA 54 HB3 ALA 54 -4.395 4.069 4.132 418 H THR 55 H THR 55 -7.342 2.375 6.201 419 HA THR 55 HA THR 55 -8.921 4.427 7.597 420 HB THR 55 HB THR 55 -9.921 4.091 5.499 421 HG1 THR 55 HG1 THR 55 -11.167 3.047 7.709 422 HG21 THR 55 HG21 THR 55 -10.501 1.876 4.597 423 HG22 THR 55 HG22 THR 55 -9.704 1.119 5.978 424 HG23 THR 55 HG23 THR 55 -8.761 2.066 4.826 425 H GLY 56 H GLY 56 -7.523 1.362 7.978 426 HA2 GLY 56 HA2 GLY 56 -7.640 -0.134 9.740 427 HA3 GLY 56 HA3 GLY 56 -8.782 0.951 10.524 428 H VAL 57 H VAL 57 -9.360 -0.079 7.300 429 HA VAL 57 HA VAL 57 -11.788 -1.416 8.248 430 HB VAL 57 HB VAL 57 -11.242 0.573 6.206 431 HG11 VAL 57 HG11 VAL 57 -12.950 -1.767 5.384 432 HG12 VAL 57 HG12 VAL 57 -12.859 -0.217 4.544 433 HG13 VAL 57 HG13 VAL 57 -11.437 -1.259 4.632 434 HG21 VAL 57 HG21 VAL 57 -13.749 -0.473 7.493 435 HG22 VAL 57 HG22 VAL 57 -12.785 0.906 8.018 436 HG23 VAL 57 HG23 VAL 57 -13.654 0.972 6.485 437 HA PRO 58 HA PRO 58 -10.567 -5.310 6.619 438 HB2 PRO 58 HB2 PRO 58 -12.953 -6.383 6.022 439 HB3 PRO 58 HB3 PRO 58 -12.484 -6.045 7.689 440 HG2 PRO 58 HG2 PRO 58 -14.077 -4.299 5.814 441 HG3 PRO 58 HG3 PRO 58 -14.542 -4.864 7.444 442 HD2 PRO 58 HD2 PRO 58 -13.488 -2.457 7.131 443 HD3 PRO 58 HD3 PRO 58 -12.948 -3.481 8.481 444 H LEU 59 H LEU 59 -10.392 -6.587 4.836 445 HA LEU 59 HA LEU 59 -9.880 -5.453 2.408 446 HB2 LEU 59 HB2 LEU 59 -10.659 -8.311 2.937 447 HB3 LEU 59 HB3 LEU 59 -9.854 -7.726 1.494 448 HG LEU 59 HG LEU 59 -8.726 -7.719 4.294 449 HD11 LEU 59 HD11 LEU 59 -8.767 -9.925 3.287 450 HD12 LEU 59 HD12 LEU 59 -7.981 -9.300 1.837 451 HD13 LEU 59 HD13 LEU 59 -7.115 -9.317 3.373 452 HD21 LEU 59 HD21 LEU 59 -7.978 -5.755 3.064 453 HD22 LEU 59 HD22 LEU 59 -6.661 -6.911 3.262 454 HD23 LEU 59 HD23 LEU 59 -7.490 -6.776 1.711 455 HA PRO 60 HA PRO 60 -14.183 -6.907 0.653 456 HB2 PRO 60 HB2 PRO 60 -15.954 -6.536 2.983 457 HB3 PRO 60 HB3 PRO 60 -15.922 -7.835 1.785 458 HG2 PRO 60 HG2 PRO 60 -15.068 -8.267 4.255 459 HG3 PRO 60 HG3 PRO 60 -14.210 -8.972 2.873 460 HD2 PRO 60 HD2 PRO 60 -13.545 -6.511 4.459 461 HD3 PRO 60 HD3 PRO 60 -12.471 -7.837 3.970 462 H PHE 61 H PHE 61 -13.884 -4.405 3.113 463 HA PHE 61 HA PHE 61 -16.009 -2.788 2.001 464 HB2 PHE 61 HB2 PHE 61 -14.300 -2.727 4.373 465 HB3 PHE 61 HB3 PHE 61 -14.655 -1.140 3.703 466 HD1 PHE 61 HD1 PHE 61 -17.174 -0.716 3.139 467 HD2 PHE 61 HD2 PHE 61 -15.778 -3.678 5.850 468 HE1 PHE 61 HE1 PHE 61 -19.379 -0.750 4.228 469 HE2 PHE 61 HE2 PHE 61 -17.979 -3.722 6.944 470 HZ PHE 61 HZ PHE 61 -19.783 -2.256 6.133 471 H GLN 62 H GLN 62 -12.606 -3.078 1.524 472 HA GLN 62 HA GLN 62 -12.776 -0.670 -0.136 473 HB2 GLN 62 HB2 GLN 62 -10.339 -0.476 0.006 474 HB3 GLN 62 HB3 GLN 62 -11.097 -0.276 1.559 475 HG2 GLN 62 HG2 GLN 62 -10.402 -3.028 1.184 476 HG3 GLN 62 HG3 GLN 62 -9.011 -2.007 0.810 477 HE21 GLN 62 HE21 GLN 62 -9.403 -3.833 3.010 478 HE22 GLN 62 HE22 GLN 62 -9.226 -2.899 4.455 479 H LYS 63 H LYS 63 -12.374 -0.893 -2.275 480 HA LYS 63 HA LYS 63 -11.238 -3.450 -3.152 481 HB2 LYS 63 HB2 LYS 63 -12.681 -1.342 -4.778 482 HB3 LYS 63 HB3 LYS 63 -12.070 -2.870 -5.398 483 HG2 LYS 63 HG2 LYS 63 -14.242 -2.535 -3.339 484 HG3 LYS 63 HG3 LYS 63 -14.470 -2.965 -5.034 485 HD2 LYS 63 HD2 LYS 63 -13.132 -5.010 -4.657 486 HD3 LYS 63 HD3 LYS 63 -13.006 -4.584 -2.950 487 HE2 LYS 63 HE2 LYS 63 -15.571 -5.119 -4.449 488 HE3 LYS 63 HE3 LYS 63 -14.773 -6.237 -3.345 489 HZ1 LYS 63 HZ1 LYS 63 -15.135 -4.687 -1.541 490 HZ2 LYS 63 HZ2 LYS 63 -16.611 -5.040 -2.293 491 HZ3 LYS 63 HZ3 LYS 63 -15.841 -3.562 -2.596 492 H LEU 64 H LEU 64 -9.083 -3.100 -2.849 493 HA LEU 64 HA LEU 64 -7.902 -0.564 -3.459 494 HB2 LEU 64 HB2 LEU 64 -7.017 -1.691 -1.558 495 HB3 LEU 64 HB3 LEU 64 -6.858 -3.193 -2.452 496 HG LEU 64 HG LEU 64 -4.757 -1.793 -1.809 497 HD11 LEU 64 HD11 LEU 64 -5.081 -2.881 -4.598 498 HD12 LEU 64 HD12 LEU 64 -3.551 -2.593 -3.769 499 HD13 LEU 64 HD13 LEU 64 -4.668 -3.813 -3.158 500 HD21 LEU 64 HD21 LEU 64 -5.657 -0.376 -4.306 501 HD22 LEU 64 HD22 LEU 64 -5.468 0.324 -2.698 502 HD23 LEU 64 HD23 LEU 64 -4.052 -0.243 -3.584 503 H ILE 65 H ILE 65 -7.420 0.048 -5.350 504 HA ILE 65 HA ILE 65 -6.278 -1.838 -7.316 505 HB ILE 65 HB ILE 65 -7.950 0.623 -7.781 506 HG12 ILE 65 HG12 ILE 65 -8.683 -2.290 -8.209 507 HG13 ILE 65 HG13 ILE 65 -9.283 -1.268 -6.909 508 HG21 ILE 65 HG21 ILE 65 -6.833 -1.383 -9.745 509 HG22 ILE 65 HG22 ILE 65 -7.948 -0.080 -10.157 510 HG23 ILE 65 HG23 ILE 65 -6.333 0.298 -9.556 511 HD11 ILE 65 HD11 ILE 65 -10.388 0.162 -8.541 512 HD12 ILE 65 HD12 ILE 65 -9.777 -0.853 -9.849 513 HD13 ILE 65 HD13 ILE 65 -10.924 -1.512 -8.681 514 H PHE 66 H PHE 66 -4.144 -1.320 -7.084 515 HA PHE 66 HA PHE 66 -3.347 0.954 -8.474 516 HB2 PHE 66 HB2 PHE 66 -3.487 1.444 -5.709 517 HB3 PHE 66 HB3 PHE 66 -1.784 1.387 -6.170 518 HD1 PHE 66 HD1 PHE 66 -2.377 2.310 -9.102 519 HD2 PHE 66 HD2 PHE 66 -3.449 3.815 -5.274 520 HE1 PHE 66 HE1 PHE 66 -2.546 4.575 -10.044 521 HE2 PHE 66 HE2 PHE 66 -3.624 6.082 -6.206 522 HZ PHE 66 HZ PHE 66 -3.206 6.436 -8.660 523 H LYS 67 H LYS 67 -1.171 0.925 -9.091 524 HA LYS 67 HA LYS 67 0.753 -0.021 -9.736 525 HB2 LYS 67 HB2 LYS 67 1.574 -2.041 -8.100 526 HB3 LYS 67 HB3 LYS 67 1.961 -0.360 -7.876 527 HG2 LYS 67 HG2 LYS 67 0.325 -0.135 -6.139 528 HG3 LYS 67 HG3 LYS 67 -0.339 -1.747 -6.448 529 HD2 LYS 67 HD2 LYS 67 1.922 -2.677 -5.830 530 HD3 LYS 67 HD3 LYS 67 2.425 -1.050 -5.385 531 HE2 LYS 67 HE2 LYS 67 0.222 -1.209 -3.884 532 HE3 LYS 67 HE3 LYS 67 0.574 -2.934 -4.003 533 HZ1 LYS 67 HZ1 LYS 67 2.362 -0.825 -2.903 534 HZ2 LYS 67 HZ2 LYS 67 2.857 -2.415 -3.186 535 HZ3 LYS 67 HZ3 LYS 67 1.643 -2.100 -2.053 536 H GLY 68 H GLY 68 -1.751 -0.968 -10.615 537 HA2 GLY 68 HA2 GLY 68 -2.619 -2.593 -11.956 538 HA3 GLY 68 HA3 GLY 68 -0.977 -3.197 -12.151 539 H LYS 69 H LYS 69 -1.975 -2.966 -8.984 540 HA LYS 69 HA LYS 69 -2.600 -5.839 -8.902 541 HB2 LYS 69 HB2 LYS 69 -1.207 -4.195 -6.784 542 HB3 LYS 69 HB3 LYS 69 -1.491 -5.930 -6.744 543 HG2 LYS 69 HG2 LYS 69 0.026 -6.275 -8.571 544 HG3 LYS 69 HG3 LYS 69 0.220 -4.534 -8.786 545 HD2 LYS 69 HD2 LYS 69 2.117 -5.178 -7.581 546 HD3 LYS 69 HD3 LYS 69 1.033 -4.512 -6.358 547 HE2 LYS 69 HE2 LYS 69 1.936 -6.520 -5.465 548 HE3 LYS 69 HE3 LYS 69 0.266 -6.858 -5.906 549 HZ1 LYS 69 HZ1 LYS 69 2.516 -7.456 -7.721 550 HZ2 LYS 69 HZ2 LYS 69 0.937 -8.062 -7.770 551 HZ3 LYS 69 HZ3 LYS 69 1.998 -8.552 -6.542 552 H SER 70 H SER 70 -4.096 -6.495 -7.349 553 HA SER 70 HA SER 70 -5.817 -4.364 -6.302 554 HB2 SER 70 HB2 SER 70 -6.868 -5.529 -8.201 555 HB3 SER 70 HB3 SER 70 -6.618 -7.081 -7.402 556 HG SER 70 HG SER 70 -8.245 -6.693 -6.077 557 H LEU 71 H LEU 71 -6.832 -4.834 -4.233 558 HA LEU 71 HA LEU 71 -5.007 -6.166 -2.484 559 HB2 LEU 71 HB2 LEU 71 -6.214 -5.399 -0.710 560 HB3 LEU 71 HB3 LEU 71 -6.656 -4.237 -1.964 561 HG LEU 71 HG LEU 71 -8.349 -6.611 -1.156 562 HD11 LEU 71 HD11 LEU 71 -8.136 -5.024 0.668 563 HD12 LEU 71 HD12 LEU 71 -8.615 -3.710 -0.406 564 HD13 LEU 71 HD13 LEU 71 -9.761 -4.992 -0.016 565 HD21 LEU 71 HD21 LEU 71 -8.969 -4.226 -2.898 566 HD22 LEU 71 HD22 LEU 71 -8.775 -5.893 -3.439 567 HD23 LEU 71 HD23 LEU 71 -10.127 -5.456 -2.393 568 H LYS 72 H LYS 72 -5.166 -8.056 -1.317 569 HA LYS 72 HA LYS 72 -7.503 -9.631 -1.260 570 HB2 LYS 72 HB2 LYS 72 -6.809 -10.050 -3.607 571 HB3 LYS 72 HB3 LYS 72 -5.248 -10.614 -3.037 572 HG2 LYS 72 HG2 LYS 72 -6.325 -12.505 -1.939 573 HG3 LYS 72 HG3 LYS 72 -7.903 -11.931 -2.484 574 HD2 LYS 72 HD2 LYS 72 -5.625 -12.640 -4.330 575 HD3 LYS 72 HD3 LYS 72 -6.929 -13.749 -3.893 576 HE2 LYS 72 HE2 LYS 72 -8.537 -12.493 -5.017 577 HE3 LYS 72 HE3 LYS 72 -7.534 -11.042 -5.030 578 HZ1 LYS 72 HZ1 LYS 72 -6.966 -13.510 -6.592 579 HZ2 LYS 72 HZ2 LYS 72 -6.090 -12.058 -6.642 580 HZ3 LYS 72 HZ3 LYS 72 -7.686 -12.107 -7.216 581 H GLU 73 H GLU 73 -7.081 -11.777 -0.178 582 HA GLU 73 HA GLU 73 -5.620 -11.807 2.112 583 HB2 GLU 73 HB2 GLU 73 -5.901 -14.200 0.280 584 HB3 GLU 73 HB3 GLU 73 -5.708 -14.229 2.026 585 HG2 GLU 73 HG2 GLU 73 -8.050 -12.811 0.872 586 HG3 GLU 73 HG3 GLU 73 -8.047 -14.573 0.892 587 H MET 74 H MET 74 -4.512 -13.459 -0.819 588 HA MET 74 HA MET 74 -1.849 -12.334 -0.480 589 HB2 MET 74 HB2 MET 74 -0.838 -14.581 -1.027 590 HB3 MET 74 HB3 MET 74 -1.537 -14.449 0.578 591 HG2 MET 74 HG2 MET 74 -3.515 -15.658 -0.170 592 HG3 MET 74 HG3 MET 74 -2.840 -15.763 -1.797 593 HE1 MET 74 HE1 MET 74 -3.881 -18.256 -0.025 594 HE2 MET 74 HE2 MET 74 -3.276 -18.428 -1.673 595 HE3 MET 74 HE3 MET 74 -2.633 -19.450 -0.386 596 H GLU 75 H GLU 75 -2.141 -11.048 -2.238 597 HA GLU 75 HA GLU 75 -3.512 -12.039 -4.543 598 HB2 GLU 75 HB2 GLU 75 -3.894 -9.777 -3.654 599 HB3 GLU 75 HB3 GLU 75 -2.241 -9.352 -4.056 600 HG2 GLU 75 HG2 GLU 75 -3.866 -8.481 -5.669 601 HG3 GLU 75 HG3 GLU 75 -2.705 -9.580 -6.414 602 H THR 76 H THR 76 -1.120 -9.822 -5.450 603 HA THR 76 HA THR 76 0.021 -11.970 -7.098 604 HB THR 76 HB THR 76 0.646 -9.924 -8.603 605 HG1 THR 76 HG1 THR 76 -1.645 -8.676 -7.966 606 HG21 THR 76 HG21 THR 76 -2.184 -10.944 -8.331 607 HG22 THR 76 HG22 THR 76 -0.888 -11.707 -9.253 608 HG23 THR 76 HG23 THR 76 -1.518 -10.137 -9.751 609 HA PRO 77 HA PRO 77 4.193 -12.175 -6.013 610 HB2 PRO 77 HB2 PRO 77 4.641 -10.469 -8.430 611 HB3 PRO 77 HB3 PRO 77 5.600 -11.829 -7.815 612 HG2 PRO 77 HG2 PRO 77 3.755 -12.179 -9.745 613 HG3 PRO 77 HG3 PRO 77 4.049 -13.408 -8.501 614 HD2 PRO 77 HD2 PRO 77 1.704 -11.697 -8.893 615 HD3 PRO 77 HD3 PRO 77 1.884 -13.139 -7.876 616 H LEU 78 H LEU 78 5.541 -11.293 -4.774 617 HA LEU 78 HA LEU 78 4.998 -8.799 -3.560 618 HB2 LEU 78 HB2 LEU 78 7.298 -10.681 -3.101 619 HB3 LEU 78 HB3 LEU 78 6.785 -9.399 -2.025 620 HG LEU 78 HG LEU 78 4.512 -10.649 -2.067 621 HD11 LEU 78 HD11 LEU 78 6.405 -12.862 -2.840 622 HD12 LEU 78 HD12 LEU 78 4.768 -13.098 -2.225 623 HD13 LEU 78 HD13 LEU 78 5.022 -12.278 -3.765 624 HD21 LEU 78 HD21 LEU 78 5.821 -10.366 -0.072 625 HD22 LEU 78 HD22 LEU 78 5.222 -12.022 -0.153 626 HD23 LEU 78 HD23 LEU 78 6.903 -11.673 -0.557 627 H SER 79 H SER 79 7.550 -9.872 -5.737 628 HA SER 79 HA SER 79 9.188 -7.620 -5.586 629 HB2 SER 79 HB2 SER 79 9.460 -9.835 -6.954 630 HB3 SER 79 HB3 SER 79 8.640 -8.935 -8.229 631 HG SER 79 HG SER 79 11.046 -8.204 -6.894 632 H ALA 80 H ALA 80 6.236 -8.198 -7.370 633 HA ALA 80 HA ALA 80 6.236 -5.632 -8.659 634 HB1 ALA 80 HB1 ALA 80 5.208 -7.599 -9.718 635 HB2 ALA 80 HB2 ALA 80 4.011 -7.656 -8.423 636 HB3 ALA 80 HB3 ALA 80 4.060 -6.274 -9.518 637 H LEU 81 H LEU 81 5.878 -6.386 -5.523 638 HA LEU 81 HA LEU 81 3.282 -5.399 -4.921 639 HB2 LEU 81 HB2 LEU 81 5.102 -6.988 -3.636 640 HB3 LEU 81 HB3 LEU 81 5.117 -5.530 -2.665 641 HG LEU 81 HG LEU 81 3.518 -6.898 -1.630 642 HD11 LEU 81 HD11 LEU 81 1.356 -5.840 -2.015 643 HD12 LEU 81 HD12 LEU 81 2.657 -4.649 -1.976 644 HD13 LEU 81 HD13 LEU 81 1.957 -5.139 -3.518 645 HD21 LEU 81 HD21 LEU 81 1.763 -8.100 -2.838 646 HD22 LEU 81 HD22 LEU 81 2.419 -7.520 -4.369 647 HD23 LEU 81 HD23 LEU 81 3.375 -8.598 -3.353 648 H GLY 82 H GLY 82 5.367 -3.421 -6.149 649 HA2 GLY 82 HA2 GLY 82 5.084 -1.026 -5.761 650 HA3 GLY 82 HA3 GLY 82 4.816 -1.402 -4.086 651 H MET 83 H MET 83 7.613 -2.581 -6.048 652 HA MET 83 HA MET 83 9.433 -1.717 -4.039 653 HB2 MET 83 HB2 MET 83 10.010 -2.209 -6.971 654 HB3 MET 83 HB3 MET 83 11.208 -2.124 -5.694 655 HG2 MET 83 HG2 MET 83 10.244 -4.138 -4.685 656 HG3 MET 83 HG3 MET 83 9.081 -4.226 -6.008 657 HE1 MET 83 HE1 MET 83 12.874 -3.155 -6.164 658 HE2 MET 83 HE2 MET 83 12.862 -4.465 -4.982 659 HE3 MET 83 HE3 MET 83 13.645 -4.696 -6.546 660 H GLN 84 H GLN 84 8.594 0.389 -3.747 661 HA GLN 84 HA GLN 84 10.486 2.293 -4.605 662 HB2 GLN 84 HB2 GLN 84 8.701 3.999 -5.269 663 HB3 GLN 84 HB3 GLN 84 9.091 2.788 -6.474 664 HG2 GLN 84 HG2 GLN 84 7.100 1.488 -5.498 665 HG3 GLN 84 HG3 GLN 84 6.652 3.031 -4.772 666 HE21 GLN 84 HE21 GLN 84 7.017 1.243 -7.707 667 HE22 GLN 84 HE22 GLN 84 6.167 2.347 -8.733 668 H ASN 85 H ASN 85 9.669 4.470 -3.177 669 HA ASN 85 HA ASN 85 9.097 3.417 -0.602 670 HB2 ASN 85 HB2 ASN 85 8.481 5.729 0.113 671 HB3 ASN 85 HB3 ASN 85 10.026 5.692 -0.735 672 HD21 ASN 85 HD21 ASN 85 8.133 7.895 -0.333 673 HD22 ASN 85 HD22 ASN 85 7.745 8.467 -1.915 674 H GLY 86 H GLY 86 7.411 2.218 -0.358 675 HA2 GLY 86 HA2 GLY 86 5.332 1.472 -0.137 676 HA3 GLY 86 HA3 GLY 86 4.838 3.151 -0.011 677 H CYS 87 H CYS 87 5.744 3.529 -2.924 678 HA CYS 87 HA CYS 87 4.791 3.508 -4.991 679 HB2 CYS 87 HB2 CYS 87 4.888 0.986 -4.611 680 HB3 CYS 87 HB3 CYS 87 3.202 1.109 -4.126 681 HG CYS 87 HG CYS 87 4.467 1.796 -7.238 682 H ARG 88 H ARG 88 2.001 2.465 -5.379 683 HA ARG 88 HA ARG 88 0.482 4.414 -3.808 684 HB2 ARG 88 HB2 ARG 88 -0.813 4.952 -5.902 685 HB3 ARG 88 HB3 ARG 88 0.841 5.541 -5.894 686 HG2 ARG 88 HG2 ARG 88 0.229 2.913 -7.161 687 HG3 ARG 88 HG3 ARG 88 -0.167 4.402 -8.013 688 HD2 ARG 88 HD2 ARG 88 2.573 3.822 -6.900 689 HD3 ARG 88 HD3 ARG 88 2.091 3.377 -8.536 690 HE ARG 88 HE ARG 88 1.713 6.173 -7.843 691 HH11 ARG 88 HH11 ARG 88 3.832 3.756 -9.265 692 HH12 ARG 88 HH12 ARG 88 4.737 4.922 -10.187 693 HH21 ARG 88 HH21 ARG 88 2.934 7.697 -9.052 694 HH22 ARG 88 HH22 ARG 88 4.225 7.137 -10.072 695 H VAL 89 H VAL 89 -1.593 3.764 -3.284 696 HA VAL 89 HA VAL 89 -2.821 1.424 -4.502 697 HB VAL 89 HB VAL 89 -3.347 0.421 -2.254 698 HG11 VAL 89 HG11 VAL 89 -1.229 -0.780 -2.024 699 HG12 VAL 89 HG12 VAL 89 -1.737 -0.633 -3.706 700 HG13 VAL 89 HG13 VAL 89 -0.456 0.403 -3.079 701 HG21 VAL 89 HG21 VAL 89 -2.790 2.298 -0.837 702 HG22 VAL 89 HG22 VAL 89 -1.828 0.889 -0.391 703 HG23 VAL 89 HG23 VAL 89 -1.099 2.194 -1.327 704 H MET 90 H MET 90 -4.776 2.243 -5.033 705 HA MET 90 HA MET 90 -6.072 3.672 -2.814 706 HB2 MET 90 HB2 MET 90 -6.746 5.424 -3.955 707 HB3 MET 90 HB3 MET 90 -5.397 5.026 -5.007 708 HG2 MET 90 HG2 MET 90 -6.970 3.810 -6.483 709 HG3 MET 90 HG3 MET 90 -8.288 4.327 -5.428 710 HE1 MET 90 HE1 MET 90 -8.388 4.860 -8.509 711 HE2 MET 90 HE2 MET 90 -9.629 5.465 -7.410 712 HE3 MET 90 HE3 MET 90 -8.884 6.551 -8.585 713 H LEU 91 H LEU 91 -7.980 3.125 -2.230 714 HA LEU 91 HA LEU 91 -9.102 0.810 -3.585 715 HB2 LEU 91 HB2 LEU 91 -10.182 0.216 -1.520 716 HB3 LEU 91 HB3 LEU 91 -8.468 0.411 -1.276 717 HG LEU 91 HG LEU 91 -9.387 1.273 0.649 718 HD11 LEU 91 HD11 LEU 91 -7.800 2.854 -0.154 719 HD12 LEU 91 HD12 LEU 91 -9.038 3.678 -1.102 720 HD13 LEU 91 HD13 LEU 91 -9.118 3.695 0.659 721 HD21 LEU 91 HD21 LEU 91 -11.313 2.801 0.757 722 HD22 LEU 91 HD22 LEU 91 -11.500 2.659 -0.991 723 HD23 LEU 91 HD23 LEU 91 -11.712 1.243 0.039 724 H ILE 92 H ILE 92 -10.970 0.904 -4.565 725 HA ILE 92 HA ILE 92 -12.554 3.313 -4.087 726 HB ILE 92 HB ILE 92 -12.721 1.396 -6.432 727 HG12 ILE 92 HG12 ILE 92 -11.572 4.194 -6.310 728 HG13 ILE 92 HG13 ILE 92 -10.618 2.717 -6.379 729 HG21 ILE 92 HG21 ILE 92 -14.849 2.484 -5.946 730 HG22 ILE 92 HG22 ILE 92 -14.062 4.062 -5.979 731 HG23 ILE 92 HG23 ILE 92 -14.162 3.095 -7.451 732 HD11 ILE 92 HD11 ILE 92 -12.490 3.741 -8.497 733 HD12 ILE 92 HD12 ILE 92 -10.728 3.735 -8.555 734 HD13 ILE 92 HD13 ILE 92 -11.616 2.211 -8.570 735 H GLY 93 H GLY 93 -14.026 3.080 -2.750 736 HA2 GLY 93 HA2 GLY 93 -16.227 1.477 -2.844 737 HA3 GLY 93 HA3 GLY 93 -15.043 0.552 -1.915 738 H GLU 94 H GLU 94 -14.772 1.014 0.189 739 HA GLU 94 HA GLU 94 -15.601 3.644 1.135 740 HB2 GLU 94 HB2 GLU 94 -16.812 1.031 1.917 741 HB3 GLU 94 HB3 GLU 94 -16.742 2.348 3.089 742 HG2 GLU 94 HG2 GLU 94 -18.036 2.481 0.373 743 HG3 GLU 94 HG3 GLU 94 -18.880 2.280 1.908 744 H LYS 95 H LYS 95 -13.743 4.359 2.004 745 HA LYS 95 HA LYS 95 -12.310 2.809 3.965 746 HB2 LYS 95 HB2 LYS 95 -12.299 5.718 3.155 747 HB3 LYS 95 HB3 LYS 95 -11.512 5.202 4.629 748 HG2 LYS 95 HG2 LYS 95 -10.139 3.625 3.199 749 HG3 LYS 95 HG3 LYS 95 -10.797 4.487 1.801 750 HD2 LYS 95 HD2 LYS 95 -9.966 6.609 2.773 751 HD3 LYS 95 HD3 LYS 95 -9.221 5.687 4.076 752 HE2 LYS 95 HE2 LYS 95 -7.817 4.512 2.418 753 HE3 LYS 95 HE3 LYS 95 -8.561 5.483 1.135 754 HZ1 LYS 95 HZ1 LYS 95 -6.469 6.456 1.776 755 HZ2 LYS 95 HZ2 LYS 95 -6.940 6.520 3.400 756 HZ3 LYS 95 HZ3 LYS 95 -7.723 7.487 2.256 757 H SER 96 H SER 96 -14.248 2.098 5.055 758 HA SER 96 HA SER 96 -16.235 3.804 6.029 759 HB2 SER 96 HB2 SER 96 -15.385 1.129 7.146 760 HB3 SER 96 HB3 SER 96 -16.946 1.914 7.393 761 HG SER 96 HG SER 96 -17.178 1.832 5.061 762 H ASN 97 H ASN 97 -15.324 5.590 7.017 763 HA ASN 97 HA ASN 97 -13.996 5.187 9.591 764 HB2 ASN 97 HB2 ASN 97 -14.483 7.642 7.904 765 HB3 ASN 97 HB3 ASN 97 -13.927 7.752 9.567 766 HD21 ASN 97 HD21 ASN 97 -12.939 5.232 7.347 767 HD22 ASN 97 HD22 ASN 97 -11.296 5.756 7.195 Start of MODEL 15 1 H1 MET 1 H1 MET 1 7.589 14.079 -9.686 2 H2 MET 1 H2 MET 1 6.836 13.458 -11.070 3 H3 MET 1 H3 MET 1 8.389 12.929 -10.645 4 HA MET 1 HA MET 1 5.908 12.474 -9.092 5 HB2 MET 1 HB2 MET 1 6.427 11.216 -11.341 6 HB3 MET 1 HB3 MET 1 7.596 10.343 -10.365 7 HG2 MET 1 HG2 MET 1 4.666 10.539 -9.723 8 HG3 MET 1 HG3 MET 1 5.399 9.217 -10.625 9 HE1 MET 1 HE1 MET 1 4.330 7.494 -8.942 10 HE2 MET 1 HE2 MET 1 4.539 7.562 -7.192 11 HE3 MET 1 HE3 MET 1 3.606 8.810 -8.020 12 H ALA 2 H ALA 2 6.719 13.067 -7.115 13 HA ALA 2 HA ALA 2 9.393 12.319 -6.316 14 HB1 ALA 2 HB1 ALA 2 8.448 14.482 -5.666 15 HB2 ALA 2 HB2 ALA 2 7.205 13.656 -4.728 16 HB3 ALA 2 HB3 ALA 2 8.898 13.521 -4.259 17 H LYS 3 H LYS 3 8.518 9.961 -6.760 18 HA LYS 3 HA LYS 3 8.386 8.791 -4.131 19 HB2 LYS 3 HB2 LYS 3 6.079 8.858 -4.295 20 HB3 LYS 3 HB3 LYS 3 6.091 8.597 -6.035 21 HG2 LYS 3 HG2 LYS 3 6.570 6.312 -5.797 22 HG3 LYS 3 HG3 LYS 3 6.967 6.493 -4.089 23 HD2 LYS 3 HD2 LYS 3 4.222 7.171 -5.058 24 HD3 LYS 3 HD3 LYS 3 4.679 5.482 -4.806 25 HE2 LYS 3 HE2 LYS 3 3.657 6.247 -2.800 26 HE3 LYS 3 HE3 LYS 3 5.386 6.081 -2.500 27 HZ1 LYS 3 HZ1 LYS 3 5.655 8.425 -2.588 28 HZ2 LYS 3 HZ2 LYS 3 4.359 8.120 -1.556 29 HZ3 LYS 3 HZ3 LYS 3 4.073 8.684 -3.129 30 H THR 4 H THR 4 8.098 8.022 -7.606 31 HA THR 4 HA THR 4 9.113 5.489 -7.672 32 HB THR 4 HB THR 4 9.953 7.647 -9.620 33 HG1 THR 4 HG1 THR 4 7.975 7.132 -10.697 34 HG21 THR 4 HG21 THR 4 9.484 4.679 -9.956 35 HG22 THR 4 HG22 THR 4 11.054 5.483 -9.939 36 HG23 THR 4 HG23 THR 4 9.913 5.804 -11.245 37 H GLU 5 H GLU 5 11.061 8.460 -7.848 38 HA GLU 5 HA GLU 5 13.436 6.986 -6.994 39 HB2 GLU 5 HB2 GLU 5 13.116 9.883 -7.803 40 HB3 GLU 5 HB3 GLU 5 14.636 9.042 -7.538 41 HG2 GLU 5 HG2 GLU 5 14.427 7.786 -9.482 42 HG3 GLU 5 HG3 GLU 5 12.694 8.090 -9.604 43 H GLU 6 H GLU 6 13.138 6.614 -4.819 44 HA GLU 6 HA GLU 6 13.379 8.793 -2.979 45 HB2 GLU 6 HB2 GLU 6 10.718 7.946 -3.698 46 HB3 GLU 6 HB3 GLU 6 11.034 7.576 -2.023 47 HG2 GLU 6 HG2 GLU 6 11.216 10.288 -3.299 48 HG3 GLU 6 HG3 GLU 6 9.973 9.701 -2.182 49 H MET 7 H MET 7 11.307 6.207 -2.256 50 HA MET 7 HA MET 7 11.309 4.632 -0.668 51 HB2 MET 7 HB2 MET 7 13.963 4.213 -1.961 52 HB3 MET 7 HB3 MET 7 13.584 3.315 -0.493 53 HG2 MET 7 HG2 MET 7 11.616 2.391 -1.507 54 HG3 MET 7 HG3 MET 7 11.876 3.347 -2.969 55 HE1 MET 7 HE1 MET 7 15.188 1.727 -4.363 56 HE2 MET 7 HE2 MET 7 13.978 2.991 -4.587 57 HE3 MET 7 HE3 MET 7 15.109 3.083 -3.237 58 H VAL 8 H VAL 8 11.537 7.076 0.396 59 HA VAL 8 HA VAL 8 12.427 6.292 2.989 60 HB VAL 8 HB VAL 8 13.724 8.623 3.203 61 HG11 VAL 8 HG11 VAL 8 15.854 7.410 2.970 62 HG12 VAL 8 HG12 VAL 8 14.653 6.519 3.907 63 HG13 VAL 8 HG13 VAL 8 14.980 6.067 2.234 64 HG21 VAL 8 HG21 VAL 8 13.528 9.287 0.894 65 HG22 VAL 8 HG22 VAL 8 15.222 8.976 1.275 66 HG23 VAL 8 HG23 VAL 8 14.289 7.788 0.364 67 H GLN 9 H GLN 9 9.925 6.711 2.770 68 HA GLN 9 HA GLN 9 9.559 9.532 3.599 69 HB2 GLN 9 HB2 GLN 9 7.607 7.647 2.305 70 HB3 GLN 9 HB3 GLN 9 7.076 9.087 3.167 71 HG2 GLN 9 HG2 GLN 9 8.850 10.244 1.586 72 HG3 GLN 9 HG3 GLN 9 8.521 8.831 0.586 73 HE21 GLN 9 HE21 GLN 9 5.727 8.708 1.594 74 HE22 GLN 9 HE22 GLN 9 4.887 9.964 0.764 75 H THR 10 H THR 10 8.165 6.295 4.344 76 HA THR 10 HA THR 10 8.024 7.193 7.147 77 HB THR 10 HB THR 10 6.178 5.195 5.811 78 HG1 THR 10 HG1 THR 10 4.970 6.880 5.320 79 HG21 THR 10 HG21 THR 10 6.431 4.757 8.185 80 HG22 THR 10 HG22 THR 10 4.845 5.473 7.889 81 HG23 THR 10 HG23 THR 10 6.146 6.457 8.560 82 H GLU 11 H GLU 11 9.543 6.216 8.316 83 HA GLU 11 HA GLU 11 10.784 3.807 7.293 84 HB2 GLU 11 HB2 GLU 11 12.026 5.852 8.054 85 HB3 GLU 11 HB3 GLU 11 11.590 5.419 9.702 86 HG2 GLU 11 HG2 GLU 11 12.810 3.332 9.490 87 HG3 GLU 11 HG3 GLU 11 13.198 3.713 7.812 88 H GLU 12 H GLU 12 11.535 2.179 8.739 89 HA GLU 12 HA GLU 12 10.464 1.404 11.190 90 HB2 GLU 12 HB2 GLU 12 8.508 1.174 9.277 91 HB3 GLU 12 HB3 GLU 12 9.288 -0.392 9.137 92 HG2 GLU 12 HG2 GLU 12 8.260 0.721 11.735 93 HG3 GLU 12 HG3 GLU 12 7.306 -0.299 10.661 94 H MET 13 H MET 13 11.127 -1.120 11.409 95 HA MET 13 HA MET 13 13.875 -0.912 10.842 96 HB2 MET 13 HB2 MET 13 12.340 -3.290 11.844 97 HB3 MET 13 HB3 MET 13 14.091 -3.143 11.826 98 HG2 MET 13 HG2 MET 13 12.136 -1.511 13.409 99 HG3 MET 13 HG3 MET 13 13.353 -2.629 14.018 100 HE1 MET 13 HE1 MET 13 15.825 -1.856 12.091 101 HE2 MET 13 HE2 MET 13 16.674 -0.685 13.099 102 HE3 MET 13 HE3 MET 13 16.011 -2.152 13.820 103 H GLU 14 H GLU 14 11.459 -3.098 9.261 104 HA GLU 14 HA GLU 14 13.631 -3.688 7.364 105 HB2 GLU 14 HB2 GLU 14 12.501 -5.645 8.436 106 HB3 GLU 14 HB3 GLU 14 11.028 -5.177 7.605 107 HG2 GLU 14 HG2 GLU 14 12.108 -6.935 6.370 108 HG3 GLU 14 HG3 GLU 14 12.180 -5.435 5.440 109 H THR 15 H THR 15 11.164 -1.555 7.636 110 HA THR 15 HA THR 15 10.609 -1.499 4.782 111 HB THR 15 HB THR 15 9.442 0.559 5.136 112 HG1 THR 15 HG1 THR 15 11.054 0.657 7.381 113 HG21 THR 15 HG21 THR 15 8.918 -1.275 7.480 114 HG22 THR 15 HG22 THR 15 8.244 -1.449 5.860 115 HG23 THR 15 HG23 THR 15 7.805 -0.058 6.853 116 HA PRO 16 HA PRO 16 14.173 1.090 4.158 117 HB2 PRO 16 HB2 PRO 16 13.763 1.619 1.516 118 HB3 PRO 16 HB3 PRO 16 14.435 0.103 2.114 119 HG2 PRO 16 HG2 PRO 16 11.857 0.589 0.894 120 HG3 PRO 16 HG3 PRO 16 12.641 -0.951 1.267 121 HD2 PRO 16 HD2 PRO 16 10.551 0.479 2.745 122 HD3 PRO 16 HD3 PRO 16 11.143 -1.214 2.950 123 H ARG 17 H ARG 17 11.887 2.113 5.376 124 HA ARG 17 HA ARG 17 10.675 3.974 5.780 125 HB2 ARG 17 HB2 ARG 17 13.087 4.870 5.634 126 HB3 ARG 17 HB3 ARG 17 12.646 5.457 4.039 127 HG2 ARG 17 HG2 ARG 17 11.015 6.926 4.947 128 HG3 ARG 17 HG3 ARG 17 11.173 6.203 6.550 129 HD2 ARG 17 HD2 ARG 17 13.518 6.964 6.625 130 HD3 ARG 17 HD3 ARG 17 13.287 7.748 5.061 131 HE ARG 17 HE ARG 17 11.647 9.198 6.154 132 HH11 ARG 17 HH11 ARG 17 13.900 7.436 8.206 133 HH12 ARG 17 HH12 ARG 17 13.787 8.586 9.511 134 HH21 ARG 17 HH21 ARG 17 11.485 10.674 7.874 135 HH22 ARG 17 HH22 ARG 17 12.419 10.428 9.319 136 H LEU 18 H LEU 18 9.262 2.640 4.238 137 HA LEU 18 HA LEU 18 8.870 4.081 1.703 138 HB2 LEU 18 HB2 LEU 18 8.700 1.265 2.471 139 HB3 LEU 18 HB3 LEU 18 7.385 1.869 1.492 140 HG LEU 18 HG LEU 18 8.762 2.382 -0.313 141 HD11 LEU 18 HD11 LEU 18 11.127 1.954 1.487 142 HD12 LEU 18 HD12 LEU 18 11.185 2.337 -0.234 143 HD13 LEU 18 HD13 LEU 18 10.522 3.507 0.907 144 HD21 LEU 18 HD21 LEU 18 9.917 0.291 -0.794 145 HD22 LEU 18 HD22 LEU 18 9.799 -0.169 0.904 146 HD23 LEU 18 HD23 LEU 18 8.337 0.004 -0.068 147 H SER 19 H SER 19 7.102 5.206 1.374 148 HA SER 19 HA SER 19 4.732 4.651 2.999 149 HB2 SER 19 HB2 SER 19 6.066 6.590 3.788 150 HB3 SER 19 HB3 SER 19 5.783 7.365 2.223 151 HG SER 19 HG SER 19 3.711 7.713 2.755 152 H VAL 20 H VAL 20 2.942 4.484 1.897 153 HA VAL 20 HA VAL 20 3.003 4.803 -1.018 154 HB VAL 20 HB VAL 20 2.570 2.535 -0.058 155 HG11 VAL 20 HG11 VAL 20 1.370 3.225 1.927 156 HG12 VAL 20 HG12 VAL 20 0.042 3.822 0.931 157 HG13 VAL 20 HG13 VAL 20 0.407 2.097 0.973 158 HG21 VAL 20 HG21 VAL 20 0.598 2.004 -1.410 159 HG22 VAL 20 HG22 VAL 20 0.261 3.726 -1.584 160 HG23 VAL 20 HG23 VAL 20 1.730 3.041 -2.279 161 H ILE 21 H ILE 21 1.171 5.596 -2.109 162 HA ILE 21 HA ILE 21 -0.396 7.578 -0.606 163 HB ILE 21 HB ILE 21 -0.777 7.106 -3.528 164 HG12 ILE 21 HG12 ILE 21 1.705 8.444 -2.423 165 HG13 ILE 21 HG13 ILE 21 1.671 6.876 -3.235 166 HG21 ILE 21 HG21 ILE 21 -0.485 9.592 -1.847 167 HG22 ILE 21 HG22 ILE 21 -0.882 9.556 -3.566 168 HG23 ILE 21 HG23 ILE 21 -2.000 8.867 -2.387 169 HD11 ILE 21 HD11 ILE 21 0.923 9.520 -4.467 170 HD12 ILE 21 HD12 ILE 21 2.424 8.633 -4.730 171 HD13 ILE 21 HD13 ILE 21 0.892 7.953 -5.276 172 H VAL 22 H VAL 22 -2.201 6.739 0.311 173 HA VAL 22 HA VAL 22 -3.755 4.757 -1.219 174 HB VAL 22 HB VAL 22 -4.156 5.441 1.690 175 HG11 VAL 22 HG11 VAL 22 -5.267 3.263 1.747 176 HG12 VAL 22 HG12 VAL 22 -6.022 4.367 0.598 177 HG13 VAL 22 HG13 VAL 22 -4.970 3.075 0.019 178 HG21 VAL 22 HG21 VAL 22 -2.857 3.448 2.252 179 HG22 VAL 22 HG22 VAL 22 -2.457 3.225 0.548 180 HG23 VAL 22 HG23 VAL 22 -1.865 4.642 1.413 181 H THR 23 H THR 23 -5.486 5.556 -2.241 182 HA THR 23 HA THR 23 -6.864 7.776 -0.917 183 HB THR 23 HB THR 23 -5.630 8.854 -2.635 184 HG1 THR 23 HG1 THR 23 -7.330 9.737 -3.859 185 HG21 THR 23 HG21 THR 23 -5.788 8.252 -5.000 186 HG22 THR 23 HG22 THR 23 -6.788 6.863 -4.579 187 HG23 THR 23 HG23 THR 23 -5.110 6.934 -4.042 188 H HIS 24 H HIS 24 -8.982 7.777 -0.895 189 HA HIS 24 HA HIS 24 -10.451 5.979 -2.708 190 HB2 HIS 24 HB2 HIS 24 -11.441 4.992 -0.936 191 HB3 HIS 24 HB3 HIS 24 -10.492 5.984 0.153 192 HD1 HIS 24 HD1 HIS 24 -13.889 5.889 -1.518 193 HD2 HIS 24 HD2 HIS 24 -11.884 7.937 1.503 194 HE1 HIS 24 HE1 HIS 24 -15.653 7.216 -0.302 195 HE2 HIS 24 HE2 HIS 24 -14.387 8.568 1.416 196 H SER 25 H SER 25 -11.289 7.230 -4.172 197 HA SER 25 HA SER 25 -12.598 8.813 -5.173 198 HB2 SER 25 HB2 SER 25 -14.045 8.566 -3.133 199 HB3 SER 25 HB3 SER 25 -13.142 9.882 -2.390 200 HG SER 25 HG SER 25 -14.287 11.248 -3.481 201 H ASN 26 H ASN 26 -10.427 9.903 -2.643 202 HA ASN 26 HA ASN 26 -8.864 11.651 -4.095 203 HB2 ASN 26 HB2 ASN 26 -11.184 12.886 -4.170 204 HB3 ASN 26 HB3 ASN 26 -10.818 13.294 -2.497 205 HD21 ASN 26 HD21 ASN 26 -11.130 15.064 -4.755 206 HD22 ASN 26 HD22 ASN 26 -9.642 15.936 -4.901 207 H GLU 27 H GLU 27 -10.467 10.811 -1.160 208 HA GLU 27 HA GLU 27 -8.883 12.042 0.779 209 HB2 GLU 27 HB2 GLU 27 -11.038 10.999 1.235 210 HB3 GLU 27 HB3 GLU 27 -10.377 9.425 0.833 211 HG2 GLU 27 HG2 GLU 27 -8.916 9.512 2.753 212 HG3 GLU 27 HG3 GLU 27 -9.496 11.134 3.143 213 H ARG 28 H ARG 28 -6.764 11.797 1.144 214 HA ARG 28 HA ARG 28 -5.514 9.245 0.382 215 HB2 ARG 28 HB2 ARG 28 -4.907 11.190 -1.052 216 HB3 ARG 28 HB3 ARG 28 -4.257 11.999 0.362 217 HG2 ARG 28 HG2 ARG 28 -3.204 9.325 -0.528 218 HG3 ARG 28 HG3 ARG 28 -2.626 10.829 -1.238 219 HD2 ARG 28 HD2 ARG 28 -2.422 9.936 1.631 220 HD3 ARG 28 HD3 ARG 28 -1.106 10.209 0.489 221 HE ARG 28 HE ARG 28 -2.830 12.458 1.292 222 HH11 ARG 28 HH11 ARG 28 0.341 10.937 1.273 223 HH12 ARG 28 HH12 ARG 28 1.144 12.355 1.899 224 HH21 ARG 28 HH21 ARG 28 -1.778 14.287 2.118 225 HH22 ARG 28 HH22 ARG 28 -0.064 14.242 2.416 226 H TYR 29 H TYR 29 -4.652 8.126 1.937 227 HA TYR 29 HA TYR 29 -3.409 9.525 4.218 228 HB2 TYR 29 HB2 TYR 29 -4.785 6.828 4.155 229 HB3 TYR 29 HB3 TYR 29 -3.735 7.340 5.469 230 HD1 TYR 29 HD1 TYR 29 -4.439 9.157 6.983 231 HD2 TYR 29 HD2 TYR 29 -7.014 7.680 3.934 232 HE1 TYR 29 HE1 TYR 29 -6.351 10.252 8.075 233 HE2 TYR 29 HE2 TYR 29 -8.933 8.769 5.020 234 HH TYR 29 HH TYR 29 -8.605 11.106 7.426 235 H ASP 30 H ASP 30 -1.233 9.220 4.316 236 HA ASP 30 HA ASP 30 -0.061 7.396 2.408 237 HB2 ASP 30 HB2 ASP 30 0.830 9.746 3.790 238 HB3 ASP 30 HB3 ASP 30 1.980 8.437 4.059 239 H LEU 31 H LEU 31 0.555 5.465 2.757 240 HA LEU 31 HA LEU 31 0.338 4.358 5.482 241 HB2 LEU 31 HB2 LEU 31 -1.153 3.856 3.190 242 HB3 LEU 31 HB3 LEU 31 -0.021 2.521 3.239 243 HG LEU 31 HG LEU 31 -2.343 2.210 4.303 244 HD11 LEU 31 HD11 LEU 31 -1.378 0.804 6.081 245 HD12 LEU 31 HD12 LEU 31 -0.468 0.644 4.579 246 HD13 LEU 31 HD13 LEU 31 0.176 1.619 5.900 247 HD21 LEU 31 HD21 LEU 31 -2.504 2.966 6.626 248 HD22 LEU 31 HD22 LEU 31 -0.944 3.779 6.498 249 HD23 LEU 31 HD23 LEU 31 -2.316 4.345 5.545 250 H LEU 32 H LEU 32 1.784 2.418 5.888 251 HA LEU 32 HA LEU 32 4.272 2.915 4.404 252 HB2 LEU 32 HB2 LEU 32 4.936 3.443 6.477 253 HB3 LEU 32 HB3 LEU 32 3.688 2.473 7.250 254 HG LEU 32 HG LEU 32 5.988 1.052 5.976 255 HD11 LEU 32 HD11 LEU 32 6.116 2.422 8.660 256 HD12 LEU 32 HD12 LEU 32 7.326 1.329 7.987 257 HD13 LEU 32 HD13 LEU 32 7.026 2.890 7.223 258 HD21 LEU 32 HD21 LEU 32 4.137 -0.208 6.969 259 HD22 LEU 32 HD22 LEU 32 5.635 -0.461 7.866 260 HD23 LEU 32 HD23 LEU 32 4.394 0.618 8.506 261 H VAL 33 H VAL 33 5.401 1.343 3.488 262 HA VAL 33 HA VAL 33 4.021 -0.979 2.657 263 HB VAL 33 HB VAL 33 6.628 0.271 2.031 264 HG11 VAL 33 HG11 VAL 33 7.488 -1.866 2.872 265 HG12 VAL 33 HG12 VAL 33 6.405 -2.725 1.777 266 HG13 VAL 33 HG13 VAL 33 7.695 -1.710 1.128 267 HG21 VAL 33 HG21 VAL 33 6.044 -0.492 -0.211 268 HG22 VAL 33 HG22 VAL 33 4.692 -1.413 0.451 269 HG23 VAL 33 HG23 VAL 33 4.697 0.347 0.559 270 H THR 34 H THR 34 4.588 -3.206 3.019 271 HA THR 34 HA THR 34 4.825 -3.517 5.874 272 HB THR 34 HB THR 34 4.306 -5.655 3.818 273 HG1 THR 34 HG1 THR 34 2.849 -3.667 3.909 274 HG21 THR 34 HG21 THR 34 4.826 -6.537 6.015 275 HG22 THR 34 HG22 THR 34 3.101 -6.735 5.706 276 HG23 THR 34 HG23 THR 34 3.666 -5.444 6.768 277 HA PRO 35 HA PRO 35 9.140 -4.557 5.790 278 HB2 PRO 35 HB2 PRO 35 9.219 -5.108 8.481 279 HB3 PRO 35 HB3 PRO 35 9.385 -3.487 7.792 280 HG2 PRO 35 HG2 PRO 35 6.997 -4.811 9.013 281 HG3 PRO 35 HG3 PRO 35 7.531 -3.126 9.130 282 HD2 PRO 35 HD2 PRO 35 5.505 -3.896 7.518 283 HD3 PRO 35 HD3 PRO 35 6.593 -2.553 7.110 284 H GLN 36 H GLN 36 10.430 -6.351 6.326 285 HA GLN 36 HA GLN 36 11.003 -8.509 6.649 286 HB2 GLN 36 HB2 GLN 36 8.115 -8.930 7.429 287 HB3 GLN 36 HB3 GLN 36 9.344 -10.190 7.468 288 HG2 GLN 36 HG2 GLN 36 10.627 -8.872 9.087 289 HG3 GLN 36 HG3 GLN 36 9.377 -7.631 9.058 290 HE21 GLN 36 HE21 GLN 36 7.393 -8.043 10.037 291 HE22 GLN 36 HE22 GLN 36 7.183 -9.335 11.167 292 H GLN 37 H GLN 37 10.454 -7.423 4.203 293 HA GLN 37 HA GLN 37 9.886 -9.914 2.745 294 HB2 GLN 37 HB2 GLN 37 8.488 -7.484 2.466 295 HB3 GLN 37 HB3 GLN 37 9.562 -7.598 1.079 296 HG2 GLN 37 HG2 GLN 37 7.323 -9.408 1.851 297 HG3 GLN 37 HG3 GLN 37 7.633 -8.606 0.309 298 HE21 GLN 37 HE21 GLN 37 8.395 -11.319 2.335 299 HE22 GLN 37 HE22 GLN 37 9.220 -12.251 1.137 300 H GLY 38 H GLY 38 12.088 -7.373 3.380 301 HA2 GLY 38 HA2 GLY 38 14.302 -7.507 2.278 302 HA3 GLY 38 HA3 GLY 38 13.416 -7.750 0.766 303 H ASN 39 H ASN 39 11.723 -5.760 2.745 304 HA ASN 39 HA ASN 39 11.149 -3.636 2.882 305 HB2 ASN 39 HB2 ASN 39 12.839 -1.870 2.943 306 HB3 ASN 39 HB3 ASN 39 13.280 -3.267 3.925 307 HD21 ASN 39 HD21 ASN 39 15.185 -4.200 3.620 308 HD22 ASN 39 HD22 ASN 39 16.306 -3.780 2.368 309 H SER 40 H SER 40 12.960 -4.325 -0.021 310 HA SER 40 HA SER 40 11.911 -2.004 -1.366 311 HB2 SER 40 HB2 SER 40 13.557 -4.328 -2.385 312 HB3 SER 40 HB3 SER 40 13.249 -2.812 -3.256 313 HG SER 40 HG SER 40 14.307 -2.598 -0.685 314 H GLU 41 H GLU 41 11.028 -5.326 -0.984 315 HA GLU 41 HA GLU 41 9.103 -5.078 -3.184 316 HB2 GLU 41 HB2 GLU 41 10.721 -7.547 -2.498 317 HB3 GLU 41 HB3 GLU 41 9.493 -7.435 -3.752 318 HG2 GLU 41 HG2 GLU 41 10.828 -5.964 -5.050 319 HG3 GLU 41 HG3 GLU 41 11.988 -5.759 -3.738 320 HA PRO 42 HA PRO 42 7.119 -5.631 0.866 321 HB2 PRO 42 HB2 PRO 42 4.729 -4.845 -0.685 322 HB3 PRO 42 HB3 PRO 42 5.394 -4.145 0.794 323 HG2 PRO 42 HG2 PRO 42 5.602 -2.895 -1.557 324 HG3 PRO 42 HG3 PRO 42 6.901 -2.825 -0.353 325 HD2 PRO 42 HD2 PRO 42 6.715 -4.454 -2.852 326 HD3 PRO 42 HD3 PRO 42 8.120 -3.628 -2.148 327 H VAL 43 H VAL 43 5.234 -6.852 1.658 328 HA VAL 43 HA VAL 43 5.213 -9.441 0.421 329 HB VAL 43 HB VAL 43 3.759 -10.131 2.264 330 HG11 VAL 43 HG11 VAL 43 6.105 -8.490 3.196 331 HG12 VAL 43 HG12 VAL 43 5.297 -9.750 4.128 332 HG13 VAL 43 HG13 VAL 43 6.154 -10.163 2.642 333 HG21 VAL 43 HG21 VAL 43 2.419 -8.154 2.544 334 HG22 VAL 43 HG22 VAL 43 3.214 -8.537 4.071 335 HG23 VAL 43 HG23 VAL 43 3.830 -7.229 3.060 336 H VAL 44 H VAL 44 3.276 -10.609 -0.152 337 HA VAL 44 HA VAL 44 1.598 -9.379 -1.968 338 HB VAL 44 HB VAL 44 0.060 -11.443 -1.301 339 HG11 VAL 44 HG11 VAL 44 2.745 -11.667 -2.659 340 HG12 VAL 44 HG12 VAL 44 1.422 -12.825 -2.809 341 HG13 VAL 44 HG13 VAL 44 1.229 -11.181 -3.417 342 HG21 VAL 44 HG21 VAL 44 1.243 -11.966 0.759 343 HG22 VAL 44 HG22 VAL 44 1.450 -13.276 -0.405 344 HG23 VAL 44 HG23 VAL 44 2.759 -12.125 -0.127 345 H GLN 45 H GLN 45 1.348 -9.628 1.437 346 HA GLN 45 HA GLN 45 -1.400 -9.045 1.786 347 HB2 GLN 45 HB2 GLN 45 0.873 -8.500 3.700 348 HB3 GLN 45 HB3 GLN 45 -0.831 -8.639 4.106 349 HG2 GLN 45 HG2 GLN 45 -0.836 -10.972 3.598 350 HG3 GLN 45 HG3 GLN 45 0.796 -10.881 2.937 351 HE21 GLN 45 HE21 GLN 45 -1.128 -10.995 5.816 352 HE22 GLN 45 HE22 GLN 45 0.185 -11.207 6.924 353 H ASP 46 H ASP 46 1.411 -7.087 1.166 354 HA ASP 46 HA ASP 46 0.798 -4.790 2.656 355 HB2 ASP 46 HB2 ASP 46 3.023 -5.126 1.937 356 HB3 ASP 46 HB3 ASP 46 2.538 -5.318 0.267 357 H LEU 47 H LEU 47 0.008 -5.639 -0.675 358 HA LEU 47 HA LEU 47 -0.792 -3.086 -1.506 359 HB2 LEU 47 HB2 LEU 47 -2.108 -4.432 -3.252 360 HB3 LEU 47 HB3 LEU 47 -0.378 -4.662 -3.184 361 HG LEU 47 HG LEU 47 -1.003 -6.686 -1.621 362 HD11 LEU 47 HD11 LEU 47 -3.491 -6.392 -3.281 363 HD12 LEU 47 HD12 LEU 47 -3.053 -7.803 -2.319 364 HD13 LEU 47 HD13 LEU 47 -3.385 -6.263 -1.526 365 HD21 LEU 47 HD21 LEU 47 0.194 -6.880 -3.706 366 HD22 LEU 47 HD22 LEU 47 -1.028 -8.145 -3.577 367 HD23 LEU 47 HD23 LEU 47 -1.315 -6.744 -4.610 368 H ALA 48 H ALA 48 -2.661 -5.751 -0.141 369 HA ALA 48 HA ALA 48 -5.131 -4.366 0.003 370 HB1 ALA 48 HB1 ALA 48 -5.794 -6.186 1.519 371 HB2 ALA 48 HB2 ALA 48 -5.011 -6.806 0.066 372 HB3 ALA 48 HB3 ALA 48 -4.119 -6.734 1.586 373 H GLN 49 H GLN 49 -2.381 -4.785 2.077 374 HA GLN 49 HA GLN 49 -3.477 -4.010 4.513 375 HB2 GLN 49 HB2 GLN 49 -1.337 -5.165 4.331 376 HB3 GLN 49 HB3 GLN 49 -0.643 -3.812 3.473 377 HG2 GLN 49 HG2 GLN 49 0.201 -3.458 5.540 378 HG3 GLN 49 HG3 GLN 49 -1.266 -2.485 5.609 379 HE21 GLN 49 HE21 GLN 49 -1.381 -2.616 7.852 380 HE22 GLN 49 HE22 GLN 49 -1.895 -4.061 8.658 381 H LEU 50 H LEU 50 -1.688 -2.224 2.104 382 HA LEU 50 HA LEU 50 -1.403 0.170 3.522 383 HB2 LEU 50 HB2 LEU 50 -1.600 -0.366 0.569 384 HB3 LEU 50 HB3 LEU 50 -1.056 1.152 1.263 385 HG LEU 50 HG LEU 50 0.361 -1.503 1.639 386 HD11 LEU 50 HD11 LEU 50 2.077 -0.538 0.199 387 HD12 LEU 50 HD12 LEU 50 0.537 -0.700 -0.648 388 HD13 LEU 50 HD13 LEU 50 1.061 0.879 -0.064 389 HD21 LEU 50 HD21 LEU 50 2.124 -0.188 2.633 390 HD22 LEU 50 HD22 LEU 50 1.164 1.280 2.439 391 HD23 LEU 50 HD23 LEU 50 0.620 0.008 3.532 392 H VAL 51 H VAL 51 -3.772 -0.691 1.030 393 HA VAL 51 HA VAL 51 -5.337 1.667 1.199 394 HB VAL 51 HB VAL 51 -5.301 -0.756 -0.205 395 HG11 VAL 51 HG11 VAL 51 -7.112 -1.559 1.203 396 HG12 VAL 51 HG12 VAL 51 -8.039 -0.103 0.838 397 HG13 VAL 51 HG13 VAL 51 -7.670 -1.257 -0.443 398 HG21 VAL 51 HG21 VAL 51 -5.284 1.454 -1.151 399 HG22 VAL 51 HG22 VAL 51 -6.644 0.529 -1.790 400 HG23 VAL 51 HG23 VAL 51 -6.914 1.746 -0.545 401 H GLU 52 H GLU 52 -5.390 -1.400 2.963 402 HA GLU 52 HA GLU 52 -7.886 -1.025 4.284 403 HB2 GLU 52 HB2 GLU 52 -7.070 -3.244 4.037 404 HB3 GLU 52 HB3 GLU 52 -5.517 -2.835 4.746 405 HG2 GLU 52 HG2 GLU 52 -6.542 -2.573 6.919 406 HG3 GLU 52 HG3 GLU 52 -8.134 -2.874 6.226 407 H GLU 53 H GLU 53 -4.505 -0.605 5.308 408 HA GLU 53 HA GLU 53 -5.250 0.021 7.994 409 HB2 GLU 53 HB2 GLU 53 -3.144 -1.089 7.583 410 HB3 GLU 53 HB3 GLU 53 -2.598 0.234 6.563 411 HG2 GLU 53 HG2 GLU 53 -2.371 1.692 8.404 412 HG3 GLU 53 HG3 GLU 53 -3.256 0.602 9.471 413 H ALA 54 H ALA 54 -4.836 1.870 5.109 414 HA ALA 54 HA ALA 54 -4.120 4.349 6.132 415 HB1 ALA 54 HB1 ALA 54 -6.037 3.815 3.870 416 HB2 ALA 54 HB2 ALA 54 -5.167 5.320 4.165 417 HB3 ALA 54 HB3 ALA 54 -4.279 3.856 3.744 418 H THR 55 H THR 55 -7.391 2.940 5.898 419 HA THR 55 HA THR 55 -8.259 5.101 7.701 420 HB THR 55 HB THR 55 -10.594 4.055 6.857 421 HG1 THR 55 HG1 THR 55 -10.273 2.913 5.118 422 HG21 THR 55 HG21 THR 55 -8.958 6.129 5.392 423 HG22 THR 55 HG22 THR 55 -9.928 6.422 6.835 424 HG23 THR 55 HG23 THR 55 -10.712 5.951 5.326 425 H GLY 56 H GLY 56 -7.838 1.686 7.409 426 HA2 GLY 56 HA2 GLY 56 -7.723 0.326 9.358 427 HA3 GLY 56 HA3 GLY 56 -8.849 1.418 10.151 428 H VAL 57 H VAL 57 -9.903 0.848 7.058 429 HA VAL 57 HA VAL 57 -12.064 -0.806 7.995 430 HB VAL 57 HB VAL 57 -12.233 -0.735 5.207 431 HG11 VAL 57 HG11 VAL 57 -14.079 -0.546 6.758 432 HG12 VAL 57 HG12 VAL 57 -13.506 1.040 7.276 433 HG13 VAL 57 HG13 VAL 57 -14.088 0.808 5.627 434 HG21 VAL 57 HG21 VAL 57 -11.359 1.954 6.254 435 HG22 VAL 57 HG22 VAL 57 -10.451 0.934 5.139 436 HG23 VAL 57 HG23 VAL 57 -11.995 1.624 4.642 437 HA PRO 58 HA PRO 58 -10.440 -4.763 6.977 438 HB2 PRO 58 HB2 PRO 58 -12.724 -6.077 6.416 439 HB3 PRO 58 HB3 PRO 58 -12.304 -5.576 8.056 440 HG2 PRO 58 HG2 PRO 58 -14.038 -4.160 6.045 441 HG3 PRO 58 HG3 PRO 58 -14.420 -4.561 7.739 442 HD2 PRO 58 HD2 PRO 58 -13.582 -2.125 7.082 443 HD3 PRO 58 HD3 PRO 58 -12.978 -2.909 8.562 444 H LEU 59 H LEU 59 -10.137 -6.258 5.264 445 HA LEU 59 HA LEU 59 -9.658 -5.335 2.763 446 HB2 LEU 59 HB2 LEU 59 -8.974 -7.492 3.767 447 HB3 LEU 59 HB3 LEU 59 -10.570 -8.133 3.453 448 HG LEU 59 HG LEU 59 -8.908 -8.968 1.893 449 HD11 LEU 59 HD11 LEU 59 -11.168 -8.773 1.053 450 HD12 LEU 59 HD12 LEU 59 -10.851 -7.118 0.533 451 HD13 LEU 59 HD13 LEU 59 -9.995 -8.460 -0.227 452 HD21 LEU 59 HD21 LEU 59 -7.347 -7.156 1.943 453 HD22 LEU 59 HD22 LEU 59 -7.838 -7.461 0.277 454 HD23 LEU 59 HD23 LEU 59 -8.507 -6.086 1.155 455 HA PRO 60 HA PRO 60 -13.989 -6.785 1.111 456 HB2 PRO 60 HB2 PRO 60 -15.780 -6.615 3.434 457 HB3 PRO 60 HB3 PRO 60 -15.618 -7.891 2.223 458 HG2 PRO 60 HG2 PRO 60 -14.755 -8.257 4.710 459 HG3 PRO 60 HG3 PRO 60 -13.842 -8.898 3.333 460 HD2 PRO 60 HD2 PRO 60 -13.379 -6.377 4.900 461 HD3 PRO 60 HD3 PRO 60 -12.203 -7.628 4.453 462 H PHE 61 H PHE 61 -13.499 -4.203 3.367 463 HA PHE 61 HA PHE 61 -15.897 -2.757 2.579 464 HB2 PHE 61 HB2 PHE 61 -14.007 -2.624 4.753 465 HB3 PHE 61 HB3 PHE 61 -14.259 -1.033 4.036 466 HD1 PHE 61 HD1 PHE 61 -15.804 -3.804 5.848 467 HD2 PHE 61 HD2 PHE 61 -16.426 0.044 4.144 468 HE1 PHE 61 HE1 PHE 61 -17.918 -3.601 7.085 469 HE2 PHE 61 HE2 PHE 61 -18.546 0.254 5.375 470 HZ PHE 61 HZ PHE 61 -19.292 -1.562 6.845 471 H GLN 62 H GLN 62 -12.604 -2.911 1.634 472 HA GLN 62 HA GLN 62 -13.040 -0.536 -0.032 473 HB2 GLN 62 HB2 GLN 62 -10.541 -0.456 -0.236 474 HB3 GLN 62 HB3 GLN 62 -11.199 0.022 1.306 475 HG2 GLN 62 HG2 GLN 62 -10.621 -2.795 1.266 476 HG3 GLN 62 HG3 GLN 62 -9.211 -1.850 0.781 477 HE21 GLN 62 HE21 GLN 62 -9.595 -3.401 3.146 478 HE22 GLN 62 HE22 GLN 62 -9.429 -2.325 4.495 479 H LYS 63 H LYS 63 -11.995 -0.626 -2.165 480 HA LYS 63 HA LYS 63 -11.382 -3.358 -3.035 481 HB2 LYS 63 HB2 LYS 63 -13.602 -2.564 -3.933 482 HB3 LYS 63 HB3 LYS 63 -12.739 -1.275 -4.763 483 HG2 LYS 63 HG2 LYS 63 -11.511 -2.887 -6.077 484 HG3 LYS 63 HG3 LYS 63 -12.261 -4.217 -5.192 485 HD2 LYS 63 HD2 LYS 63 -13.668 -2.221 -6.967 486 HD3 LYS 63 HD3 LYS 63 -13.352 -3.917 -7.340 487 HE2 LYS 63 HE2 LYS 63 -15.125 -2.841 -5.148 488 HE3 LYS 63 HE3 LYS 63 -15.647 -3.652 -6.624 489 HZ1 LYS 63 HZ1 LYS 63 -14.050 -4.882 -4.435 490 HZ2 LYS 63 HZ2 LYS 63 -14.530 -5.668 -5.859 491 HZ3 LYS 63 HZ3 LYS 63 -15.698 -5.148 -4.737 492 H LEU 64 H LEU 64 -9.239 -3.062 -2.783 493 HA LEU 64 HA LEU 64 -7.955 -0.655 -3.652 494 HB2 LEU 64 HB2 LEU 64 -7.173 -1.596 -1.634 495 HB3 LEU 64 HB3 LEU 64 -7.042 -3.193 -2.348 496 HG LEU 64 HG LEU 64 -4.901 -1.808 -1.814 497 HD11 LEU 64 HD11 LEU 64 -3.687 -2.876 -3.628 498 HD12 LEU 64 HD12 LEU 64 -4.882 -3.972 -2.934 499 HD13 LEU 64 HD13 LEU 64 -5.204 -3.180 -4.476 500 HD21 LEU 64 HD21 LEU 64 -4.079 -0.449 -3.635 501 HD22 LEU 64 HD22 LEU 64 -5.582 -0.696 -4.525 502 HD23 LEU 64 HD23 LEU 64 -5.593 0.209 -3.012 503 H ILE 65 H ILE 65 -7.457 -0.271 -5.574 504 HA ILE 65 HA ILE 65 -6.252 -2.354 -7.291 505 HB ILE 65 HB ILE 65 -7.771 0.140 -8.026 506 HG12 ILE 65 HG12 ILE 65 -9.212 -1.657 -7.094 507 HG13 ILE 65 HG13 ILE 65 -9.577 -1.295 -8.772 508 HG21 ILE 65 HG21 ILE 65 -6.623 -2.040 -9.777 509 HG22 ILE 65 HG22 ILE 65 -7.675 -0.746 -10.346 510 HG23 ILE 65 HG23 ILE 65 -6.087 -0.363 -9.683 511 HD11 ILE 65 HD11 ILE 65 -8.342 -3.279 -9.472 512 HD12 ILE 65 HD12 ILE 65 -7.958 -3.632 -7.787 513 HD13 ILE 65 HD13 ILE 65 -9.631 -3.687 -8.340 514 H PHE 66 H PHE 66 -4.095 -1.906 -7.036 515 HA PHE 66 HA PHE 66 -3.188 0.301 -8.482 516 HB2 PHE 66 HB2 PHE 66 -3.444 0.935 -5.795 517 HB3 PHE 66 HB3 PHE 66 -1.716 0.709 -6.089 518 HD1 PHE 66 HD1 PHE 66 -1.111 1.637 -8.632 519 HD2 PHE 66 HD2 PHE 66 -4.094 3.153 -6.001 520 HE1 PHE 66 HE1 PHE 66 -1.026 3.804 -9.789 521 HE2 PHE 66 HE2 PHE 66 -4.008 5.324 -7.150 522 HZ PHE 66 HZ PHE 66 -2.477 5.653 -9.049 523 H LYS 67 H LYS 67 -1.036 0.183 -9.089 524 HA LYS 67 HA LYS 67 0.959 -0.748 -9.564 525 HB2 LYS 67 HB2 LYS 67 1.628 -2.661 -7.661 526 HB3 LYS 67 HB3 LYS 67 2.106 -0.982 -7.658 527 HG2 LYS 67 HG2 LYS 67 0.339 -0.435 -6.100 528 HG3 LYS 67 HG3 LYS 67 -0.311 -2.098 -6.169 529 HD2 LYS 67 HD2 LYS 67 2.008 -2.838 -5.366 530 HD3 LYS 67 HD3 LYS 67 2.377 -1.140 -5.086 531 HE2 LYS 67 HE2 LYS 67 0.189 -1.207 -3.653 532 HE3 LYS 67 HE3 LYS 67 0.482 -2.947 -3.639 533 HZ1 LYS 67 HZ1 LYS 67 1.538 -2.082 -1.725 534 HZ2 LYS 67 HZ2 LYS 67 2.249 -0.811 -2.584 535 HZ3 LYS 67 HZ3 LYS 67 2.786 -2.394 -2.828 536 H GLY 68 H GLY 68 -1.459 -1.894 -10.528 537 HA2 GLY 68 HA2 GLY 68 -2.193 -3.724 -11.678 538 HA3 GLY 68 HA3 GLY 68 -0.541 -4.327 -11.643 539 H LYS 69 H LYS 69 -1.873 -3.550 -8.656 540 HA LYS 69 HA LYS 69 -2.376 -6.392 -8.086 541 HB2 LYS 69 HB2 LYS 69 -1.579 -4.451 -5.957 542 HB3 LYS 69 HB3 LYS 69 -1.326 -6.194 -6.033 543 HG2 LYS 69 HG2 LYS 69 0.225 -5.697 -7.986 544 HG3 LYS 69 HG3 LYS 69 0.174 -4.022 -7.440 545 HD2 LYS 69 HD2 LYS 69 2.018 -4.762 -6.317 546 HD3 LYS 69 HD3 LYS 69 0.769 -5.124 -5.121 547 HE2 LYS 69 HE2 LYS 69 2.342 -6.995 -5.471 548 HE3 LYS 69 HE3 LYS 69 0.670 -7.415 -5.850 549 HZ1 LYS 69 HZ1 LYS 69 1.116 -7.232 -8.159 550 HZ2 LYS 69 HZ2 LYS 69 2.340 -8.197 -7.492 551 HZ3 LYS 69 HZ3 LYS 69 2.654 -6.582 -7.887 552 H SER 70 H SER 70 -4.163 -6.889 -6.931 553 HA SER 70 HA SER 70 -5.845 -4.665 -6.043 554 HB2 SER 70 HB2 SER 70 -6.802 -5.969 -7.990 555 HB3 SER 70 HB3 SER 70 -6.847 -7.388 -6.943 556 HG SER 70 HG SER 70 -8.102 -4.945 -6.251 557 H LEU 71 H LEU 71 -7.083 -5.101 -4.097 558 HA LEU 71 HA LEU 71 -5.308 -6.169 -2.156 559 HB2 LEU 71 HB2 LEU 71 -6.783 -5.405 -0.478 560 HB3 LEU 71 HB3 LEU 71 -6.896 -4.255 -1.817 561 HG LEU 71 HG LEU 71 -8.922 -6.389 -1.123 562 HD11 LEU 71 HD11 LEU 71 -8.898 -4.495 0.392 563 HD12 LEU 71 HD12 LEU 71 -9.043 -3.389 -0.975 564 HD13 LEU 71 HD13 LEU 71 -10.359 -4.500 -0.597 565 HD21 LEU 71 HD21 LEU 71 -10.328 -5.423 -2.871 566 HD22 LEU 71 HD22 LEU 71 -9.022 -4.331 -3.330 567 HD23 LEU 71 HD23 LEU 71 -8.834 -6.070 -3.548 568 H LYS 72 H LYS 72 -5.075 -8.070 -1.362 569 HA LYS 72 HA LYS 72 -7.179 -9.744 -0.549 570 HB2 LYS 72 HB2 LYS 72 -7.085 -10.117 -3.111 571 HB3 LYS 72 HB3 LYS 72 -5.537 -10.885 -2.818 572 HG2 LYS 72 HG2 LYS 72 -6.522 -12.635 -1.569 573 HG3 LYS 72 HG3 LYS 72 -8.073 -11.796 -1.487 574 HD2 LYS 72 HD2 LYS 72 -8.420 -12.078 -3.845 575 HD3 LYS 72 HD3 LYS 72 -6.791 -12.721 -4.056 576 HE2 LYS 72 HE2 LYS 72 -8.973 -14.028 -2.431 577 HE3 LYS 72 HE3 LYS 72 -8.545 -14.471 -4.082 578 HZ1 LYS 72 HZ1 LYS 72 -7.421 -15.980 -2.710 579 HZ2 LYS 72 HZ2 LYS 72 -6.923 -14.780 -1.629 580 HZ3 LYS 72 HZ3 LYS 72 -6.230 -14.863 -3.173 581 H GLU 73 H GLU 73 -6.351 -11.348 0.837 582 HA GLU 73 HA GLU 73 -3.702 -10.933 1.766 583 HB2 GLU 73 HB2 GLU 73 -5.716 -13.095 2.406 584 HB3 GLU 73 HB3 GLU 73 -4.184 -12.885 3.246 585 HG2 GLU 73 HG2 GLU 73 -4.882 -10.643 3.945 586 HG3 GLU 73 HG3 GLU 73 -6.426 -10.875 3.127 587 H MET 74 H MET 74 -1.916 -11.692 0.962 588 HA MET 74 HA MET 74 -0.399 -12.850 -0.250 589 HB2 MET 74 HB2 MET 74 -2.241 -15.235 -0.142 590 HB3 MET 74 HB3 MET 74 -0.494 -15.221 -0.323 591 HG2 MET 74 HG2 MET 74 -2.028 -14.456 2.149 592 HG3 MET 74 HG3 MET 74 -1.134 -15.951 1.894 593 HE1 MET 74 HE1 MET 74 1.027 -14.116 4.584 594 HE2 MET 74 HE2 MET 74 -0.730 -14.140 4.453 595 HE3 MET 74 HE3 MET 74 0.196 -15.611 4.158 596 H GLU 75 H GLU 75 -1.638 -11.239 -1.804 597 HA GLU 75 HA GLU 75 -3.123 -12.610 -3.875 598 HB2 GLU 75 HB2 GLU 75 -4.016 -10.546 -2.960 599 HB3 GLU 75 HB3 GLU 75 -2.558 -9.685 -3.413 600 HG2 GLU 75 HG2 GLU 75 -4.585 -9.323 -4.859 601 HG3 GLU 75 HG3 GLU 75 -3.095 -9.756 -5.695 602 H THR 76 H THR 76 -1.307 -9.835 -4.861 603 HA THR 76 HA THR 76 -0.251 -11.530 -6.998 604 HB THR 76 HB THR 76 0.223 -9.156 -8.015 605 HG1 THR 76 HG1 THR 76 -1.971 -8.520 -6.341 606 HG21 THR 76 HG21 THR 76 -1.379 -10.758 -8.935 607 HG22 THR 76 HG22 THR 76 -2.050 -9.127 -8.953 608 HG23 THR 76 HG23 THR 76 -2.568 -10.281 -7.723 609 HA PRO 77 HA PRO 77 4.077 -11.852 -6.581 610 HB2 PRO 77 HB2 PRO 77 4.073 -9.684 -8.658 611 HB3 PRO 77 HB3 PRO 77 5.108 -11.113 -8.542 612 HG2 PRO 77 HG2 PRO 77 2.893 -11.040 -10.099 613 HG3 PRO 77 HG3 PRO 77 3.473 -12.523 -9.327 614 HD2 PRO 77 HD2 PRO 77 1.045 -11.032 -8.795 615 HD3 PRO 77 HD3 PRO 77 1.549 -12.601 -8.139 616 H LEU 78 H LEU 78 5.266 -11.149 -5.012 617 HA LEU 78 HA LEU 78 4.887 -8.706 -3.663 618 HB2 LEU 78 HB2 LEU 78 7.075 -10.748 -3.406 619 HB3 LEU 78 HB3 LEU 78 6.787 -9.448 -2.270 620 HG LEU 78 HG LEU 78 4.415 -10.474 -2.121 621 HD11 LEU 78 HD11 LEU 78 6.002 -12.842 -3.100 622 HD12 LEU 78 HD12 LEU 78 4.388 -12.913 -2.388 623 HD13 LEU 78 HD13 LEU 78 4.639 -12.081 -3.923 624 HD21 LEU 78 HD21 LEU 78 6.815 -11.810 -0.887 625 HD22 LEU 78 HD22 LEU 78 5.974 -10.387 -0.270 626 HD23 LEU 78 HD23 LEU 78 5.155 -11.949 -0.307 627 H SER 79 H SER 79 7.383 -9.735 -5.945 628 HA SER 79 HA SER 79 9.113 -7.556 -5.656 629 HB2 SER 79 HB2 SER 79 9.498 -9.641 -7.062 630 HB3 SER 79 HB3 SER 79 8.474 -8.902 -8.292 631 HG SER 79 HG SER 79 10.878 -7.814 -7.223 632 H ALA 80 H ALA 80 6.173 -7.954 -7.469 633 HA ALA 80 HA ALA 80 6.223 -5.340 -8.658 634 HB1 ALA 80 HB1 ALA 80 4.047 -5.924 -9.560 635 HB2 ALA 80 HB2 ALA 80 5.193 -7.242 -9.807 636 HB3 ALA 80 HB3 ALA 80 3.984 -7.354 -8.528 637 H LEU 81 H LEU 81 5.845 -6.154 -5.553 638 HA LEU 81 HA LEU 81 3.243 -5.178 -4.921 639 HB2 LEU 81 HB2 LEU 81 5.012 -6.802 -3.702 640 HB3 LEU 81 HB3 LEU 81 5.199 -5.366 -2.727 641 HG LEU 81 HG LEU 81 3.603 -6.590 -1.571 642 HD11 LEU 81 HD11 LEU 81 1.430 -5.539 -1.883 643 HD12 LEU 81 HD12 LEU 81 2.735 -4.356 -1.965 644 HD13 LEU 81 HD13 LEU 81 1.950 -4.908 -3.446 645 HD21 LEU 81 HD21 LEU 81 1.795 -7.847 -2.611 646 HD22 LEU 81 HD22 LEU 81 2.349 -7.333 -4.205 647 HD23 LEU 81 HD23 LEU 81 3.373 -8.361 -3.205 648 H GLY 82 H GLY 82 5.364 -3.179 -6.133 649 HA2 GLY 82 HA2 GLY 82 5.040 -0.785 -5.766 650 HA3 GLY 82 HA3 GLY 82 4.719 -1.157 -4.097 651 H MET 83 H MET 83 7.585 -2.299 -5.945 652 HA MET 83 HA MET 83 9.301 -1.301 -3.917 653 HB2 MET 83 HB2 MET 83 11.135 -1.750 -5.591 654 HB3 MET 83 HB3 MET 83 10.095 -3.120 -5.239 655 HG2 MET 83 HG2 MET 83 8.868 -2.705 -7.322 656 HG3 MET 83 HG3 MET 83 9.950 -1.359 -7.674 657 HE1 MET 83 HE1 MET 83 10.537 -2.380 -10.039 658 HE2 MET 83 HE2 MET 83 11.079 -4.040 -10.284 659 HE3 MET 83 HE3 MET 83 9.436 -3.721 -9.725 660 H GLN 84 H GLN 84 8.440 0.751 -3.742 661 HA GLN 84 HA GLN 84 10.390 2.640 -4.486 662 HB2 GLN 84 HB2 GLN 84 8.746 4.374 -5.247 663 HB3 GLN 84 HB3 GLN 84 9.069 3.132 -6.422 664 HG2 GLN 84 HG2 GLN 84 6.936 2.040 -5.336 665 HG3 GLN 84 HG3 GLN 84 6.604 3.713 -4.896 666 HE21 GLN 84 HE21 GLN 84 6.326 5.248 -6.562 667 HE22 GLN 84 HE22 GLN 84 5.901 4.769 -8.174 668 H ASN 85 H ASN 85 9.500 4.790 -3.020 669 HA ASN 85 HA ASN 85 8.911 3.617 -0.511 670 HB2 ASN 85 HB2 ASN 85 8.377 5.819 0.383 671 HB3 ASN 85 HB3 ASN 85 9.786 5.971 -0.663 672 HD21 ASN 85 HD21 ASN 85 9.402 6.896 -2.805 673 HD22 ASN 85 HD22 ASN 85 8.129 8.044 -2.984 674 H GLY 86 H GLY 86 7.257 2.394 -0.247 675 HA2 GLY 86 HA2 GLY 86 5.205 1.552 -0.081 676 HA3 GLY 86 HA3 GLY 86 4.630 3.210 0.021 677 H CYS 87 H CYS 87 5.607 3.602 -2.866 678 HA CYS 87 HA CYS 87 4.714 3.583 -4.952 679 HB2 CYS 87 HB2 CYS 87 4.938 1.067 -4.540 680 HB3 CYS 87 HB3 CYS 87 3.203 1.093 -4.252 681 HG CYS 87 HG CYS 87 4.897 1.492 -7.162 682 H ARG 88 H ARG 88 1.969 2.342 -5.445 683 HA ARG 88 HA ARG 88 0.363 4.347 -4.015 684 HB2 ARG 88 HB2 ARG 88 -0.062 3.615 -6.917 685 HB3 ARG 88 HB3 ARG 88 -0.842 4.902 -6.013 686 HG2 ARG 88 HG2 ARG 88 0.659 6.138 -7.170 687 HG3 ARG 88 HG3 ARG 88 1.660 5.740 -5.772 688 HD2 ARG 88 HD2 ARG 88 3.057 5.263 -7.565 689 HD3 ARG 88 HD3 ARG 88 2.383 3.684 -7.159 690 HE ARG 88 HE ARG 88 1.076 5.251 -9.265 691 HH11 ARG 88 HH11 ARG 88 3.020 2.485 -8.341 692 HH12 ARG 88 HH12 ARG 88 2.943 1.735 -9.906 693 HH21 ARG 88 HH21 ARG 88 0.994 4.300 -11.336 694 HH22 ARG 88 HH22 ARG 88 1.809 2.789 -11.619 695 H VAL 89 H VAL 89 -1.744 3.710 -3.523 696 HA VAL 89 HA VAL 89 -2.868 1.229 -4.522 697 HB VAL 89 HB VAL 89 -3.498 0.509 -2.161 698 HG11 VAL 89 HG11 VAL 89 -1.422 -0.744 -1.798 699 HG12 VAL 89 HG12 VAL 89 -1.922 -0.764 -3.490 700 HG13 VAL 89 HG13 VAL 89 -0.608 0.290 -2.972 701 HG21 VAL 89 HG21 VAL 89 -1.972 1.136 -0.358 702 HG22 VAL 89 HG22 VAL 89 -1.165 2.266 -1.446 703 HG23 VAL 89 HG23 VAL 89 -2.846 2.531 -0.992 704 H MET 90 H MET 90 -4.806 1.945 -5.208 705 HA MET 90 HA MET 90 -6.218 3.539 -3.195 706 HB2 MET 90 HB2 MET 90 -6.645 5.224 -4.428 707 HB3 MET 90 HB3 MET 90 -5.500 4.591 -5.601 708 HG2 MET 90 HG2 MET 90 -8.397 3.829 -5.653 709 HG3 MET 90 HG3 MET 90 -7.824 5.313 -6.410 710 HE1 MET 90 HE1 MET 90 -8.929 4.418 -8.682 711 HE2 MET 90 HE2 MET 90 -8.508 2.879 -9.433 712 HE3 MET 90 HE3 MET 90 -9.393 2.903 -7.909 713 H LEU 91 H LEU 91 -8.152 3.164 -2.697 714 HA LEU 91 HA LEU 91 -9.345 0.769 -3.861 715 HB2 LEU 91 HB2 LEU 91 -10.327 0.258 -1.724 716 HB3 LEU 91 HB3 LEU 91 -8.598 0.395 -1.575 717 HG LEU 91 HG LEU 91 -9.384 1.356 0.382 718 HD11 LEU 91 HD11 LEU 91 -9.054 3.685 -1.484 719 HD12 LEU 91 HD12 LEU 91 -8.985 3.752 0.276 720 HD13 LEU 91 HD13 LEU 91 -7.774 2.834 -0.620 721 HD21 LEU 91 HD21 LEU 91 -11.249 2.930 0.546 722 HD22 LEU 91 HD22 LEU 91 -11.498 2.821 -1.197 723 HD23 LEU 91 HD23 LEU 91 -11.750 1.402 -0.179 724 H ILE 92 H ILE 92 -11.312 0.921 -4.704 725 HA ILE 92 HA ILE 92 -12.716 3.429 -4.194 726 HB ILE 92 HB ILE 92 -13.168 1.428 -6.430 727 HG12 ILE 92 HG12 ILE 92 -12.012 4.226 -6.489 728 HG13 ILE 92 HG13 ILE 92 -11.096 2.736 -6.682 729 HG21 ILE 92 HG21 ILE 92 -15.246 2.534 -5.748 730 HG22 ILE 92 HG22 ILE 92 -14.482 4.108 -5.967 731 HG23 ILE 92 HG23 ILE 92 -14.737 3.050 -7.355 732 HD11 ILE 92 HD11 ILE 92 -12.318 2.252 -8.738 733 HD12 ILE 92 HD12 ILE 92 -13.242 3.742 -8.538 734 HD13 ILE 92 HD13 ILE 92 -11.501 3.813 -8.820 735 H GLY 93 H GLY 93 -14.125 3.380 -2.716 736 HA2 GLY 93 HA2 GLY 93 -16.438 1.971 -2.614 737 HA3 GLY 93 HA3 GLY 93 -15.293 0.922 -1.785 738 H GLU 94 H GLU 94 -15.430 1.125 0.323 739 HA GLU 94 HA GLU 94 -16.164 3.759 1.403 740 HB2 GLU 94 HB2 GLU 94 -16.750 0.984 2.433 741 HB3 GLU 94 HB3 GLU 94 -17.148 2.469 3.291 742 HG2 GLU 94 HG2 GLU 94 -18.701 3.117 1.613 743 HG3 GLU 94 HG3 GLU 94 -18.163 1.830 0.536 744 H LYS 95 H LYS 95 -14.380 4.702 2.207 745 HA LYS 95 HA LYS 95 -12.484 3.108 3.743 746 HB2 LYS 95 HB2 LYS 95 -12.470 5.851 2.607 747 HB3 LYS 95 HB3 LYS 95 -11.615 5.642 4.129 748 HG2 LYS 95 HG2 LYS 95 -10.423 3.689 2.989 749 HG3 LYS 95 HG3 LYS 95 -11.079 4.333 1.485 750 HD2 LYS 95 HD2 LYS 95 -9.871 6.345 1.699 751 HD3 LYS 95 HD3 LYS 95 -9.492 6.028 3.395 752 HE2 LYS 95 HE2 LYS 95 -8.425 4.579 0.967 753 HE3 LYS 95 HE3 LYS 95 -7.512 5.580 2.108 754 HZ1 LYS 95 HZ1 LYS 95 -8.213 3.930 3.856 755 HZ2 LYS 95 HZ2 LYS 95 -7.101 3.360 2.712 756 HZ3 LYS 95 HZ3 LYS 95 -8.727 2.924 2.597 757 H SER 96 H SER 96 -14.520 2.622 4.975 758 HA SER 96 HA SER 96 -15.631 4.580 6.705 759 HB2 SER 96 HB2 SER 96 -15.685 1.566 6.966 760 HB3 SER 96 HB3 SER 96 -16.776 2.703 7.760 761 HG SER 96 HG SER 96 -17.131 1.588 5.440 762 H ASN 97 H ASN 97 -15.364 4.916 8.885 763 HA ASN 97 HA ASN 97 -14.584 4.639 11.027 764 HB2 ASN 97 HB2 ASN 97 -13.904 2.282 10.516 765 HB3 ASN 97 HB3 ASN 97 -12.355 2.901 9.956 766 HD21 ASN 97 HD21 ASN 97 -14.375 2.279 12.686 767 HD22 ASN 97 HD22 ASN 97 -13.168 2.537 13.900 Start of MODEL 16 1 H1 MET 1 H1 MET 1 1.447 12.839 -9.218 2 H2 MET 1 H2 MET 1 1.403 11.842 -7.849 3 H3 MET 1 H3 MET 1 -0.045 12.409 -8.528 4 HA MET 1 HA MET 1 0.330 10.101 -9.071 5 HB2 MET 1 HB2 MET 1 0.053 10.256 -11.497 6 HB3 MET 1 HB3 MET 1 -0.895 11.483 -10.673 7 HG2 MET 1 HG2 MET 1 0.655 13.189 -11.275 8 HG3 MET 1 HG3 MET 1 1.796 12.002 -11.904 9 HE1 MET 1 HE1 MET 1 0.006 10.690 -15.098 10 HE2 MET 1 HE2 MET 1 1.509 10.706 -14.175 11 HE3 MET 1 HE3 MET 1 0.056 9.987 -13.481 12 H ALA 2 H ALA 2 3.062 12.157 -9.596 13 HA ALA 2 HA ALA 2 4.623 10.100 -10.897 14 HB1 ALA 2 HB1 ALA 2 5.435 12.795 -9.807 15 HB2 ALA 2 HB2 ALA 2 6.460 11.725 -10.764 16 HB3 ALA 2 HB3 ALA 2 5.011 12.432 -11.480 17 H LYS 3 H LYS 3 5.785 8.594 -9.899 18 HA LYS 3 HA LYS 3 7.030 9.027 -7.359 19 HB2 LYS 3 HB2 LYS 3 4.651 8.540 -6.714 20 HB3 LYS 3 HB3 LYS 3 4.839 6.953 -7.449 21 HG2 LYS 3 HG2 LYS 3 6.726 6.518 -5.879 22 HG3 LYS 3 HG3 LYS 3 6.337 8.046 -5.082 23 HD2 LYS 3 HD2 LYS 3 3.892 6.905 -5.133 24 HD3 LYS 3 HD3 LYS 3 4.912 5.464 -5.031 25 HE2 LYS 3 HE2 LYS 3 4.274 6.249 -2.820 26 HE3 LYS 3 HE3 LYS 3 6.019 6.355 -3.066 27 HZ1 LYS 3 HZ1 LYS 3 4.090 8.617 -3.223 28 HZ2 LYS 3 HZ2 LYS 3 5.752 8.732 -3.525 29 HZ3 LYS 3 HZ3 LYS 3 5.201 8.325 -1.979 30 H THR 4 H THR 4 8.861 7.985 -7.486 31 HA THR 4 HA THR 4 9.042 5.259 -8.350 32 HB THR 4 HB THR 4 11.003 5.989 -9.978 33 HG1 THR 4 HG1 THR 4 10.825 7.965 -10.825 34 HG21 THR 4 HG21 THR 4 9.101 4.643 -10.682 35 HG22 THR 4 HG22 THR 4 9.471 5.872 -11.893 36 HG23 THR 4 HG23 THR 4 8.102 6.092 -10.803 37 H GLU 5 H GLU 5 11.527 7.739 -8.564 38 HA GLU 5 HA GLU 5 13.182 6.223 -6.761 39 HB2 GLU 5 HB2 GLU 5 14.880 7.986 -7.279 40 HB3 GLU 5 HB3 GLU 5 14.267 7.117 -8.676 41 HG2 GLU 5 HG2 GLU 5 12.687 9.043 -9.034 42 HG3 GLU 5 HG3 GLU 5 13.605 9.910 -7.802 43 H GLU 6 H GLU 6 13.082 6.392 -4.712 44 HA GLU 6 HA GLU 6 13.190 8.774 -3.196 45 HB2 GLU 6 HB2 GLU 6 10.531 7.781 -3.899 46 HB3 GLU 6 HB3 GLU 6 10.786 7.836 -2.166 47 HG2 GLU 6 HG2 GLU 6 10.774 10.087 -4.136 48 HG3 GLU 6 HG3 GLU 6 9.791 9.854 -2.685 49 H MET 7 H MET 7 11.218 5.961 -2.763 50 HA MET 7 HA MET 7 11.065 4.359 -1.235 51 HB2 MET 7 HB2 MET 7 14.000 4.492 -1.655 52 HB3 MET 7 HB3 MET 7 13.382 3.514 -0.322 53 HG2 MET 7 HG2 MET 7 12.133 2.157 -1.726 54 HG3 MET 7 HG3 MET 7 12.263 3.275 -3.084 55 HE1 MET 7 HE1 MET 7 15.593 0.459 -1.567 56 HE2 MET 7 HE2 MET 7 15.074 1.856 -0.622 57 HE3 MET 7 HE3 MET 7 13.949 0.534 -0.935 58 H VAL 8 H VAL 8 13.379 6.821 -0.065 59 HA VAL 8 HA VAL 8 12.595 6.198 2.652 60 HB VAL 8 HB VAL 8 14.174 8.108 3.228 61 HG11 VAL 8 HG11 VAL 8 16.168 6.741 2.759 62 HG12 VAL 8 HG12 VAL 8 14.828 5.771 3.368 63 HG13 VAL 8 HG13 VAL 8 15.215 5.756 1.649 64 HG21 VAL 8 HG21 VAL 8 15.752 8.789 1.475 65 HG22 VAL 8 HG22 VAL 8 14.820 7.884 0.283 66 HG23 VAL 8 HG23 VAL 8 14.106 9.285 1.081 67 H GLN 9 H GLN 9 10.296 6.759 2.533 68 HA GLN 9 HA GLN 9 10.068 9.650 3.142 69 HB2 GLN 9 HB2 GLN 9 8.074 7.824 1.854 70 HB3 GLN 9 HB3 GLN 9 7.550 9.267 2.711 71 HG2 GLN 9 HG2 GLN 9 9.160 10.558 1.241 72 HG3 GLN 9 HG3 GLN 9 9.298 9.090 0.275 73 HE21 GLN 9 HE21 GLN 9 6.339 10.003 1.861 74 HE22 GLN 9 HE22 GLN 9 5.458 10.407 0.431 75 H THR 10 H THR 10 8.664 6.463 4.085 76 HA THR 10 HA THR 10 8.396 7.554 6.823 77 HB THR 10 HB THR 10 6.495 5.580 5.528 78 HG1 THR 10 HG1 THR 10 5.134 7.688 6.091 79 HG21 THR 10 HG21 THR 10 6.335 7.033 8.179 80 HG22 THR 10 HG22 THR 10 6.733 5.327 7.967 81 HG23 THR 10 HG23 THR 10 5.132 5.922 7.524 82 H GLU 11 H GLU 11 9.903 6.527 8.043 83 HA GLU 11 HA GLU 11 10.918 3.967 7.176 84 HB2 GLU 11 HB2 GLU 11 12.325 5.909 7.946 85 HB3 GLU 11 HB3 GLU 11 11.803 5.538 9.583 86 HG2 GLU 11 HG2 GLU 11 12.856 3.384 9.484 87 HG3 GLU 11 HG3 GLU 11 13.235 3.604 7.775 88 H GLU 12 H GLU 12 11.417 2.272 8.705 89 HA GLU 12 HA GLU 12 9.992 1.739 11.066 90 HB2 GLU 12 HB2 GLU 12 8.037 1.694 9.548 91 HB3 GLU 12 HB3 GLU 12 8.847 0.512 8.535 92 HG2 GLU 12 HG2 GLU 12 7.127 -0.489 9.945 93 HG3 GLU 12 HG3 GLU 12 8.730 -1.130 10.298 94 H MET 13 H MET 13 10.191 -0.796 11.473 95 HA MET 13 HA MET 13 12.930 -1.100 11.628 96 HB2 MET 13 HB2 MET 13 10.802 -3.195 11.945 97 HB3 MET 13 HB3 MET 13 12.486 -3.399 12.408 98 HG2 MET 13 HG2 MET 13 10.588 -1.350 13.521 99 HG3 MET 13 HG3 MET 13 11.107 -2.830 14.325 100 HE1 MET 13 HE1 MET 13 12.895 0.020 16.368 101 HE2 MET 13 HE2 MET 13 11.308 0.120 15.602 102 HE3 MET 13 HE3 MET 13 11.785 -1.349 16.449 103 H GLU 14 H GLU 14 10.834 -2.872 9.241 104 HA GLU 14 HA GLU 14 13.378 -3.677 8.010 105 HB2 GLU 14 HB2 GLU 14 11.797 -5.497 8.546 106 HB3 GLU 14 HB3 GLU 14 10.626 -4.768 7.461 107 HG2 GLU 14 HG2 GLU 14 11.764 -6.633 6.399 108 HG3 GLU 14 HG3 GLU 14 12.114 -5.116 5.569 109 H THR 15 H THR 15 10.800 -1.514 7.583 110 HA THR 15 HA THR 15 10.680 -1.443 4.742 111 HB THR 15 HB THR 15 9.512 0.680 4.998 112 HG1 THR 15 HG1 THR 15 10.991 0.735 7.286 113 HG21 THR 15 HG21 THR 15 8.246 -1.354 5.532 114 HG22 THR 15 HG22 THR 15 7.731 -0.004 6.543 115 HG23 THR 15 HG23 THR 15 8.782 -1.254 7.209 116 HA PRO 16 HA PRO 16 14.268 1.120 4.139 117 HB2 PRO 16 HB2 PRO 16 13.909 1.618 1.484 118 HB3 PRO 16 HB3 PRO 16 14.539 0.093 2.111 119 HG2 PRO 16 HG2 PRO 16 11.975 0.639 0.855 120 HG3 PRO 16 HG3 PRO 16 12.737 -0.918 1.223 121 HD2 PRO 16 HD2 PRO 16 10.645 0.498 2.677 122 HD3 PRO 16 HD3 PRO 16 11.251 -1.165 2.912 123 H ARG 17 H ARG 17 12.095 2.182 5.368 124 HA ARG 17 HA ARG 17 11.007 4.076 5.896 125 HB2 ARG 17 HB2 ARG 17 13.319 5.016 5.618 126 HB3 ARG 17 HB3 ARG 17 12.912 5.407 3.951 127 HG2 ARG 17 HG2 ARG 17 11.235 6.964 4.670 128 HG3 ARG 17 HG3 ARG 17 11.445 6.482 6.352 129 HD2 ARG 17 HD2 ARG 17 13.642 7.684 4.686 130 HD3 ARG 17 HD3 ARG 17 12.550 8.639 5.687 131 HE ARG 17 HE ARG 17 14.172 6.491 6.881 132 HH11 ARG 17 HH11 ARG 17 13.319 9.876 6.620 133 HH12 ARG 17 HH12 ARG 17 14.128 10.326 8.096 134 HH21 ARG 17 HH21 ARG 17 15.223 7.057 8.807 135 HH22 ARG 17 HH22 ARG 17 15.208 8.710 9.354 136 H LEU 18 H LEU 18 9.513 2.619 4.229 137 HA LEU 18 HA LEU 18 9.167 4.106 1.718 138 HB2 LEU 18 HB2 LEU 18 9.035 1.346 2.508 139 HB3 LEU 18 HB3 LEU 18 7.570 1.869 1.723 140 HG LEU 18 HG LEU 18 8.733 2.468 -0.276 141 HD11 LEU 18 HD11 LEU 18 11.241 1.743 1.203 142 HD12 LEU 18 HD12 LEU 18 11.129 2.153 -0.508 143 HD13 LEU 18 HD13 LEU 18 10.742 3.362 0.716 144 HD21 LEU 18 HD21 LEU 18 8.120 0.097 0.055 145 HD22 LEU 18 HD22 LEU 18 9.538 0.297 -0.975 146 HD23 LEU 18 HD23 LEU 18 9.732 -0.206 0.705 147 H SER 19 H SER 19 7.497 5.404 1.414 148 HA SER 19 HA SER 19 5.064 5.005 3.030 149 HB2 SER 19 HB2 SER 19 6.238 7.001 3.666 150 HB3 SER 19 HB3 SER 19 6.316 7.532 1.974 151 HG SER 19 HG SER 19 4.233 7.644 3.800 152 H VAL 20 H VAL 20 3.222 4.846 2.054 153 HA VAL 20 HA VAL 20 3.178 4.844 -0.878 154 HB VAL 20 HB VAL 20 2.118 2.872 -0.848 155 HG11 VAL 20 HG11 VAL 20 3.899 2.452 0.752 156 HG12 VAL 20 HG12 VAL 20 2.826 2.899 2.078 157 HG13 VAL 20 HG13 VAL 20 2.479 1.469 1.107 158 HG21 VAL 20 HG21 VAL 20 0.004 3.850 -0.174 159 HG22 VAL 20 HG22 VAL 20 0.239 2.290 0.616 160 HG23 VAL 20 HG23 VAL 20 0.493 3.784 1.519 161 H ILE 21 H ILE 21 1.280 5.471 -1.944 162 HA ILE 21 HA ILE 21 -0.291 7.547 -0.566 163 HB ILE 21 HB ILE 21 -0.486 6.869 -3.487 164 HG12 ILE 21 HG12 ILE 21 1.691 8.559 -2.234 165 HG13 ILE 21 HG13 ILE 21 1.923 6.971 -2.970 166 HG21 ILE 21 HG21 ILE 21 -0.927 9.258 -3.701 167 HG22 ILE 21 HG22 ILE 21 -2.025 8.513 -2.539 168 HG23 ILE 21 HG23 ILE 21 -0.657 9.471 -1.971 169 HD11 ILE 21 HD11 ILE 21 2.612 8.748 -4.471 170 HD12 ILE 21 HD12 ILE 21 1.220 7.886 -5.128 171 HD13 ILE 21 HD13 ILE 21 1.007 9.472 -4.384 172 H VAL 22 H VAL 22 -2.132 6.789 0.346 173 HA VAL 22 HA VAL 22 -3.696 4.789 -1.162 174 HB VAL 22 HB VAL 22 -4.040 5.386 1.773 175 HG11 VAL 22 HG11 VAL 22 -5.940 4.375 0.671 176 HG12 VAL 22 HG12 VAL 22 -4.914 3.086 0.041 177 HG13 VAL 22 HG13 VAL 22 -5.189 3.225 1.777 178 HG21 VAL 22 HG21 VAL 22 -1.781 4.562 1.481 179 HG22 VAL 22 HG22 VAL 22 -2.790 3.326 2.233 180 HG23 VAL 22 HG23 VAL 22 -2.379 3.208 0.523 181 H THR 23 H THR 23 -5.580 5.488 -1.982 182 HA THR 23 HA THR 23 -6.960 7.606 -0.534 183 HB THR 23 HB THR 23 -5.704 8.878 -2.146 184 HG1 THR 23 HG1 THR 23 -7.493 9.861 -3.245 185 HG21 THR 23 HG21 THR 23 -5.263 7.166 -3.815 186 HG22 THR 23 HG22 THR 23 -6.016 8.573 -4.568 187 HG23 THR 23 HG23 THR 23 -6.970 7.125 -4.251 188 H HIS 24 H HIS 24 -9.123 7.668 -0.737 189 HA HIS 24 HA HIS 24 -10.392 6.073 -2.858 190 HB2 HIS 24 HB2 HIS 24 -10.914 4.793 -0.918 191 HB3 HIS 24 HB3 HIS 24 -11.178 6.234 0.058 192 HD1 HIS 24 HD1 HIS 24 -12.776 5.379 -3.305 193 HD2 HIS 24 HD2 HIS 24 -13.810 6.070 0.667 194 HE1 HIS 24 HE1 HIS 24 -15.288 5.392 -3.247 195 HE2 HIS 24 HE2 HIS 24 -15.878 6.051 -0.889 196 H SER 25 H SER 25 -11.037 7.644 -4.172 197 HA SER 25 HA SER 25 -12.176 9.415 -5.011 198 HB2 SER 25 HB2 SER 25 -14.030 8.664 -3.557 199 HB3 SER 25 HB3 SER 25 -13.405 9.673 -2.257 200 HG SER 25 HG SER 25 -14.326 11.331 -3.146 201 H ASN 26 H ASN 26 -10.544 9.905 -1.953 202 HA ASN 26 HA ASN 26 -9.226 12.283 -2.667 203 HB2 ASN 26 HB2 ASN 26 -11.519 13.245 -2.510 204 HB3 ASN 26 HB3 ASN 26 -11.610 12.672 -0.849 205 HD21 ASN 26 HD21 ASN 26 -11.863 14.663 0.046 206 HD22 ASN 26 HD22 ASN 26 -10.597 15.852 0.098 207 H GLU 27 H GLU 27 -10.690 10.350 -0.123 208 HA GLU 27 HA GLU 27 -9.212 11.132 2.090 209 HB2 GLU 27 HB2 GLU 27 -11.175 9.466 1.849 210 HB3 GLU 27 HB3 GLU 27 -9.930 8.257 1.615 211 HG2 GLU 27 HG2 GLU 27 -10.541 9.889 4.054 212 HG3 GLU 27 HG3 GLU 27 -10.507 8.136 3.873 213 H ARG 28 H ARG 28 -7.099 11.338 2.037 214 HA ARG 28 HA ARG 28 -5.489 9.096 1.028 215 HB2 ARG 28 HB2 ARG 28 -4.945 10.797 -0.451 216 HB3 ARG 28 HB3 ARG 28 -5.136 12.055 0.760 217 HG2 ARG 28 HG2 ARG 28 -2.821 11.901 0.220 218 HG3 ARG 28 HG3 ARG 28 -3.037 11.248 1.841 219 HD2 ARG 28 HD2 ARG 28 -3.124 8.949 0.708 220 HD3 ARG 28 HD3 ARG 28 -2.493 9.762 -0.724 221 HE ARG 28 HE ARG 28 -1.033 9.009 1.593 222 HH11 ARG 28 HH11 ARG 28 -1.211 11.487 -0.890 223 HH12 ARG 28 HH12 ARG 28 0.449 11.983 -0.686 224 HH21 ARG 28 HH21 ARG 28 1.166 9.610 1.799 225 HH22 ARG 28 HH22 ARG 28 1.807 10.896 0.825 226 H TYR 29 H TYR 29 -4.445 8.074 2.500 227 HA TYR 29 HA TYR 29 -3.270 9.533 4.767 228 HB2 TYR 29 HB2 TYR 29 -5.148 7.899 5.392 229 HB3 TYR 29 HB3 TYR 29 -4.099 6.613 4.806 230 HD1 TYR 29 HD1 TYR 29 -4.455 9.234 7.388 231 HD2 TYR 29 HD2 TYR 29 -2.324 5.773 6.139 232 HE1 TYR 29 HE1 TYR 29 -3.383 9.108 9.594 233 HE2 TYR 29 HE2 TYR 29 -1.239 5.641 8.341 234 HH TYR 29 HH TYR 29 -2.283 7.529 11.031 235 H ASP 30 H ASP 30 -1.027 9.221 4.933 236 HA ASP 30 HA ASP 30 0.163 7.663 2.802 237 HB2 ASP 30 HB2 ASP 30 2.289 8.474 3.531 238 HB3 ASP 30 HB3 ASP 30 1.174 9.828 3.619 239 H LEU 31 H LEU 31 0.581 5.650 2.916 240 HA LEU 31 HA LEU 31 0.405 4.274 5.510 241 HB2 LEU 31 HB2 LEU 31 -1.044 3.904 3.141 242 HB3 LEU 31 HB3 LEU 31 0.122 2.597 3.148 243 HG LEU 31 HG LEU 31 -2.194 2.133 4.151 244 HD11 LEU 31 HD11 LEU 31 -0.255 0.658 4.493 245 HD12 LEU 31 HD12 LEU 31 0.287 1.658 5.842 246 HD13 LEU 31 HD13 LEU 31 -1.229 0.766 5.959 247 HD21 LEU 31 HD21 LEU 31 -2.459 2.813 6.490 248 HD22 LEU 31 HD22 LEU 31 -0.976 3.763 6.398 249 HD23 LEU 31 HD23 LEU 31 -2.375 4.215 5.422 250 H LEU 32 H LEU 32 1.913 2.410 5.728 251 HA LEU 32 HA LEU 32 4.300 3.000 4.126 252 HB2 LEU 32 HB2 LEU 32 5.093 3.624 6.118 253 HB3 LEU 32 HB3 LEU 32 3.898 2.683 7.010 254 HG LEU 32 HG LEU 32 6.159 1.237 5.692 255 HD11 LEU 32 HD11 LEU 32 6.339 2.779 8.276 256 HD12 LEU 32 HD12 LEU 32 7.539 1.632 7.680 257 HD13 LEU 32 HD13 LEU 32 7.230 3.124 6.793 258 HD21 LEU 32 HD21 LEU 32 4.389 -0.032 6.811 259 HD22 LEU 32 HD22 LEU 32 5.916 -0.189 7.679 260 HD23 LEU 32 HD23 LEU 32 4.658 0.884 8.295 261 H VAL 33 H VAL 33 5.491 1.367 3.291 262 HA VAL 33 HA VAL 33 4.050 -0.908 2.473 263 HB VAL 33 HB VAL 33 6.752 0.199 1.936 264 HG11 VAL 33 HG11 VAL 33 6.324 -2.776 1.672 265 HG12 VAL 33 HG12 VAL 33 7.689 -1.858 1.035 266 HG13 VAL 33 HG13 VAL 33 7.449 -1.988 2.777 267 HG21 VAL 33 HG21 VAL 33 4.897 0.434 0.400 268 HG22 VAL 33 HG22 VAL 33 6.185 -0.523 -0.332 269 HG23 VAL 33 HG23 VAL 33 4.738 -1.319 0.287 270 H THR 34 H THR 34 4.527 -3.157 2.872 271 HA THR 34 HA THR 34 4.613 -3.408 5.740 272 HB THR 34 HB THR 34 4.079 -5.573 3.707 273 HG1 THR 34 HG1 THR 34 2.700 -3.566 3.642 274 HG21 THR 34 HG21 THR 34 4.505 -6.369 5.988 275 HG22 THR 34 HG22 THR 34 2.819 -6.611 5.535 276 HG23 THR 34 HG23 THR 34 3.263 -5.281 6.605 277 HA PRO 35 HA PRO 35 8.851 -4.622 5.737 278 HB2 PRO 35 HB2 PRO 35 9.090 -4.772 8.412 279 HB3 PRO 35 HB3 PRO 35 8.990 -3.226 7.565 280 HG2 PRO 35 HG2 PRO 35 6.823 -4.744 8.977 281 HG3 PRO 35 HG3 PRO 35 7.214 -3.015 9.070 282 HD2 PRO 35 HD2 PRO 35 5.221 -3.962 7.509 283 HD3 PRO 35 HD3 PRO 35 6.188 -2.545 7.056 284 H GLN 36 H GLN 36 10.094 -6.380 6.488 285 HA GLN 36 HA GLN 36 10.569 -8.530 7.006 286 HB2 GLN 36 HB2 GLN 36 7.614 -8.790 7.538 287 HB3 GLN 36 HB3 GLN 36 8.694 -10.175 7.548 288 HG2 GLN 36 HG2 GLN 36 9.956 -9.233 9.367 289 HG3 GLN 36 HG3 GLN 36 8.997 -7.753 9.307 290 HE21 GLN 36 HE21 GLN 36 9.406 -9.730 11.462 291 HE22 GLN 36 HE22 GLN 36 7.821 -10.248 11.919 292 H GLN 37 H GLN 37 10.569 -7.633 4.535 293 HA GLN 37 HA GLN 37 9.801 -10.005 3.008 294 HB2 GLN 37 HB2 GLN 37 8.511 -7.510 2.655 295 HB3 GLN 37 HB3 GLN 37 9.671 -7.648 1.340 296 HG2 GLN 37 HG2 GLN 37 7.445 -9.566 1.988 297 HG3 GLN 37 HG3 GLN 37 7.605 -8.531 0.562 298 HE21 GLN 37 HE21 GLN 37 9.072 -9.073 -1.036 299 HE22 GLN 37 HE22 GLN 37 9.750 -10.662 -1.173 300 H GLY 38 H GLY 38 10.920 -7.075 1.643 301 HA2 GLY 38 HA2 GLY 38 13.743 -7.722 1.892 302 HA3 GLY 38 HA3 GLY 38 13.083 -7.663 0.252 303 H ASN 39 H ASN 39 11.857 -5.812 2.861 304 HA ASN 39 HA ASN 39 11.229 -3.692 3.073 305 HB2 ASN 39 HB2 ASN 39 12.937 -1.936 2.934 306 HB3 ASN 39 HB3 ASN 39 13.459 -3.349 3.846 307 HD21 ASN 39 HD21 ASN 39 15.302 -4.355 3.260 308 HD22 ASN 39 HD22 ASN 39 16.266 -3.911 1.897 309 H SER 40 H SER 40 12.732 -4.139 -0.058 310 HA SER 40 HA SER 40 11.349 -1.825 -1.131 311 HB2 SER 40 HB2 SER 40 13.694 -2.231 -1.726 312 HB3 SER 40 HB3 SER 40 13.259 -3.807 -2.390 313 HG SER 40 HG SER 40 11.729 -2.358 -3.718 314 H GLU 41 H GLU 41 10.915 -5.196 -0.854 315 HA GLU 41 HA GLU 41 9.043 -5.225 -3.118 316 HB2 GLU 41 HB2 GLU 41 10.771 -7.487 -2.079 317 HB3 GLU 41 HB3 GLU 41 9.593 -7.623 -3.376 318 HG2 GLU 41 HG2 GLU 41 10.885 -6.307 -4.833 319 HG3 GLU 41 HG3 GLU 41 11.920 -5.736 -3.523 320 HA PRO 42 HA PRO 42 6.905 -5.593 0.889 321 HB2 PRO 42 HB2 PRO 42 4.578 -4.917 -0.814 322 HB3 PRO 42 HB3 PRO 42 5.144 -4.155 0.676 323 HG2 PRO 42 HG2 PRO 42 5.460 -2.960 -1.685 324 HG3 PRO 42 HG3 PRO 42 6.709 -2.855 -0.427 325 HD2 PRO 42 HD2 PRO 42 6.621 -4.568 -2.879 326 HD3 PRO 42 HD3 PRO 42 7.990 -3.689 -2.167 327 H VAL 43 H VAL 43 5.028 -6.866 1.638 328 HA VAL 43 HA VAL 43 5.136 -9.472 0.437 329 HB VAL 43 HB VAL 43 3.697 -10.197 2.280 330 HG11 VAL 43 HG11 VAL 43 6.000 -8.461 3.141 331 HG12 VAL 43 HG12 VAL 43 5.215 -9.674 4.153 332 HG13 VAL 43 HG13 VAL 43 6.070 -10.165 2.690 333 HG21 VAL 43 HG21 VAL 43 2.305 -8.217 2.497 334 HG22 VAL 43 HG22 VAL 43 3.045 -8.629 4.045 335 HG23 VAL 43 HG23 VAL 43 3.688 -7.296 3.086 336 H VAL 44 H VAL 44 3.162 -10.734 -0.053 337 HA VAL 44 HA VAL 44 1.485 -9.579 -1.931 338 HB VAL 44 HB VAL 44 -0.092 -11.533 -1.399 339 HG11 VAL 44 HG11 VAL 44 2.793 -12.098 -2.079 340 HG12 VAL 44 HG12 VAL 44 1.431 -13.169 -2.409 341 HG13 VAL 44 HG13 VAL 44 1.533 -11.600 -3.208 342 HG21 VAL 44 HG21 VAL 44 2.204 -12.247 0.426 343 HG22 VAL 44 HG22 VAL 44 0.552 -11.876 0.918 344 HG23 VAL 44 HG23 VAL 44 0.885 -13.326 -0.027 345 H GLN 45 H GLN 45 1.232 -9.685 1.489 346 HA GLN 45 HA GLN 45 -1.502 -9.035 1.791 347 HB2 GLN 45 HB2 GLN 45 0.804 -8.567 3.689 348 HB3 GLN 45 HB3 GLN 45 -0.900 -8.459 4.108 349 HG2 GLN 45 HG2 GLN 45 -1.177 -10.831 3.610 350 HG3 GLN 45 HG3 GLN 45 0.530 -10.938 3.179 351 HE21 GLN 45 HE21 GLN 45 -0.984 -12.324 5.255 352 HE22 GLN 45 HE22 GLN 45 -0.191 -11.968 6.747 353 H ASP 46 H ASP 46 1.352 -7.169 1.136 354 HA ASP 46 HA ASP 46 0.813 -4.821 2.551 355 HB2 ASP 46 HB2 ASP 46 3.020 -5.232 1.751 356 HB3 ASP 46 HB3 ASP 46 2.459 -5.372 0.092 357 H LEU 47 H LEU 47 -0.067 -5.736 -0.736 358 HA LEU 47 HA LEU 47 -0.876 -3.191 -1.565 359 HB2 LEU 47 HB2 LEU 47 -2.242 -4.521 -3.276 360 HB3 LEU 47 HB3 LEU 47 -0.513 -4.749 -3.261 361 HG LEU 47 HG LEU 47 -1.073 -6.803 -1.729 362 HD11 LEU 47 HD11 LEU 47 -3.642 -6.486 -3.263 363 HD12 LEU 47 HD12 LEU 47 -3.164 -7.891 -2.308 364 HD13 LEU 47 HD13 LEU 47 -3.453 -6.341 -1.516 365 HD21 LEU 47 HD21 LEU 47 -1.552 -6.797 -4.701 366 HD22 LEU 47 HD22 LEU 47 0.007 -6.946 -3.891 367 HD23 LEU 47 HD23 LEU 47 -1.200 -8.218 -3.716 368 H ALA 48 H ALA 48 -2.716 -5.824 -0.088 369 HA ALA 48 HA ALA 48 -5.169 -4.393 0.107 370 HB1 ALA 48 HB1 ALA 48 -4.184 -6.734 1.736 371 HB2 ALA 48 HB2 ALA 48 -5.851 -6.167 1.629 372 HB3 ALA 48 HB3 ALA 48 -5.058 -6.847 0.207 373 H GLN 49 H GLN 49 -2.346 -4.797 2.087 374 HA GLN 49 HA GLN 49 -3.360 -4.017 4.561 375 HB2 GLN 49 HB2 GLN 49 -1.240 -5.150 4.402 376 HB3 GLN 49 HB3 GLN 49 -0.575 -3.890 3.399 377 HG2 GLN 49 HG2 GLN 49 0.392 -3.431 5.404 378 HG3 GLN 49 HG3 GLN 49 -1.003 -2.360 5.418 379 HE21 GLN 49 HE21 GLN 49 0.532 -3.433 7.637 380 HE22 GLN 49 HE22 GLN 49 -0.603 -4.267 8.640 381 H LEU 50 H LEU 50 -1.634 -2.252 2.091 382 HA LEU 50 HA LEU 50 -1.370 0.169 3.457 383 HB2 LEU 50 HB2 LEU 50 -1.617 -0.396 0.514 384 HB3 LEU 50 HB3 LEU 50 -1.080 1.130 1.187 385 HG LEU 50 HG LEU 50 0.369 -1.508 1.499 386 HD11 LEU 50 HD11 LEU 50 1.018 0.931 -0.134 387 HD12 LEU 50 HD12 LEU 50 2.047 -0.487 0.063 388 HD13 LEU 50 HD13 LEU 50 0.496 -0.632 -0.764 389 HD21 LEU 50 HD21 LEU 50 0.651 -0.121 3.446 390 HD22 LEU 50 HD22 LEU 50 2.134 -0.158 2.492 391 HD23 LEU 50 HD23 LEU 50 1.080 1.255 2.428 392 H VAL 51 H VAL 51 -3.813 -0.760 1.047 393 HA VAL 51 HA VAL 51 -5.397 1.595 1.288 394 HB VAL 51 HB VAL 51 -5.370 -0.824 -0.163 395 HG11 VAL 51 HG11 VAL 51 -7.226 -1.576 1.222 396 HG12 VAL 51 HG12 VAL 51 -8.092 -0.080 0.877 397 HG13 VAL 51 HG13 VAL 51 -7.764 -1.227 -0.422 398 HG21 VAL 51 HG21 VAL 51 -6.668 0.531 -1.736 399 HG22 VAL 51 HG22 VAL 51 -6.894 1.745 -0.476 400 HG23 VAL 51 HG23 VAL 51 -5.276 1.397 -1.086 401 H GLU 52 H GLU 52 -5.373 -1.495 2.999 402 HA GLU 52 HA GLU 52 -7.853 -1.150 4.352 403 HB2 GLU 52 HB2 GLU 52 -6.971 -3.364 4.077 404 HB3 GLU 52 HB3 GLU 52 -5.467 -2.932 4.869 405 HG2 GLU 52 HG2 GLU 52 -6.661 -2.642 6.978 406 HG3 GLU 52 HG3 GLU 52 -8.167 -3.089 6.181 407 H GLU 53 H GLU 53 -4.459 -0.605 5.262 408 HA GLU 53 HA GLU 53 -5.141 -0.021 7.983 409 HB2 GLU 53 HB2 GLU 53 -3.026 -1.085 7.478 410 HB3 GLU 53 HB3 GLU 53 -2.544 0.271 6.472 411 HG2 GLU 53 HG2 GLU 53 -2.152 1.652 8.280 412 HG3 GLU 53 HG3 GLU 53 -3.178 0.700 9.355 413 H ALA 54 H ALA 54 -4.813 1.822 5.078 414 HA ALA 54 HA ALA 54 -4.233 4.340 6.118 415 HB1 ALA 54 HB1 ALA 54 -4.309 3.851 3.729 416 HB2 ALA 54 HB2 ALA 54 -6.062 3.687 3.815 417 HB3 ALA 54 HB3 ALA 54 -5.306 5.248 4.132 418 H THR 55 H THR 55 -7.327 2.637 5.955 419 HA THR 55 HA THR 55 -8.490 4.836 7.525 420 HB THR 55 HB THR 55 -10.468 3.004 6.526 421 HG1 THR 55 HG1 THR 55 -9.606 2.626 4.621 422 HG21 THR 55 HG21 THR 55 -9.866 5.912 5.967 423 HG22 THR 55 HG22 THR 55 -10.908 5.293 7.247 424 HG23 THR 55 HG23 THR 55 -11.368 5.082 5.557 425 H GLY 56 H GLY 56 -7.696 1.480 7.549 426 HA2 GLY 56 HA2 GLY 56 -7.670 0.087 9.440 427 HA3 GLY 56 HA3 GLY 56 -8.724 1.227 10.268 428 H VAL 57 H VAL 57 -9.560 0.334 7.070 429 HA VAL 57 HA VAL 57 -11.933 -1.003 8.124 430 HB VAL 57 HB VAL 57 -12.793 -0.648 5.740 431 HG11 VAL 57 HG11 VAL 57 -13.434 1.662 6.244 432 HG12 VAL 57 HG12 VAL 57 -13.577 0.614 7.656 433 HG13 VAL 57 HG13 VAL 57 -12.207 1.716 7.508 434 HG21 VAL 57 HG21 VAL 57 -10.667 -0.162 4.666 435 HG22 VAL 57 HG22 VAL 57 -11.762 1.213 4.519 436 HG23 VAL 57 HG23 VAL 57 -10.451 1.252 5.699 437 HA PRO 58 HA PRO 58 -10.812 -4.975 6.763 438 HB2 PRO 58 HB2 PRO 58 -13.215 -6.055 6.262 439 HB3 PRO 58 HB3 PRO 58 -12.727 -5.593 7.898 440 HG2 PRO 58 HG2 PRO 58 -14.330 -4.001 5.902 441 HG3 PRO 58 HG3 PRO 58 -14.756 -4.396 7.587 442 HD2 PRO 58 HD2 PRO 58 -13.679 -2.042 6.984 443 HD3 PRO 58 HD3 PRO 58 -13.165 -2.911 8.449 444 H LEU 59 H LEU 59 -10.681 -6.420 5.029 445 HA LEU 59 HA LEU 59 -10.256 -5.476 2.517 446 HB2 LEU 59 HB2 LEU 59 -9.405 -7.573 3.059 447 HB3 LEU 59 HB3 LEU 59 -10.966 -8.200 3.545 448 HG LEU 59 HG LEU 59 -10.540 -7.520 0.666 449 HD11 LEU 59 HD11 LEU 59 -9.608 -9.774 0.293 450 HD12 LEU 59 HD12 LEU 59 -8.527 -8.747 1.237 451 HD13 LEU 59 HD13 LEU 59 -9.484 -9.993 2.039 452 HD21 LEU 59 HD21 LEU 59 -12.741 -8.269 1.469 453 HD22 LEU 59 HD22 LEU 59 -12.027 -9.420 0.339 454 HD23 LEU 59 HD23 LEU 59 -12.007 -9.754 2.071 455 HA PRO 60 HA PRO 60 -14.676 -6.769 0.990 456 HB2 PRO 60 HB2 PRO 60 -16.401 -6.351 3.327 457 HB3 PRO 60 HB3 PRO 60 -16.359 -7.696 2.184 458 HG2 PRO 60 HG2 PRO 60 -15.485 -7.976 4.681 459 HG3 PRO 60 HG3 PRO 60 -14.673 -8.791 3.336 460 HD2 PRO 60 HD2 PRO 60 -13.911 -6.267 4.765 461 HD3 PRO 60 HD3 PRO 60 -12.879 -7.636 4.300 462 H PHE 61 H PHE 61 -13.957 -4.186 3.154 463 HA PHE 61 HA PHE 61 -16.158 -2.517 2.219 464 HB2 PHE 61 HB2 PHE 61 -14.155 -2.371 4.404 465 HB3 PHE 61 HB3 PHE 61 -14.776 -0.850 3.771 466 HD1 PHE 61 HD1 PHE 61 -16.034 -4.186 4.879 467 HD2 PHE 61 HD2 PHE 61 -16.655 0.025 4.781 468 HE1 PHE 61 HE1 PHE 61 -18.037 -4.448 6.281 469 HE2 PHE 61 HE2 PHE 61 -18.660 -0.237 6.178 470 HZ PHE 61 HZ PHE 61 -19.376 -2.467 6.903 471 H GLN 62 H GLN 62 -12.849 -3.058 1.458 472 HA GLN 62 HA GLN 62 -12.914 -0.584 -0.120 473 HB2 GLN 62 HB2 GLN 62 -10.469 -0.477 0.043 474 HB3 GLN 62 HB3 GLN 62 -11.227 -0.307 1.603 475 HG2 GLN 62 HG2 GLN 62 -10.743 -3.045 1.287 476 HG3 GLN 62 HG3 GLN 62 -9.309 -2.217 0.675 477 HE21 GLN 62 HE21 GLN 62 -9.627 -3.857 3.041 478 HE22 GLN 62 HE22 GLN 62 -9.184 -2.863 4.386 479 H LYS 63 H LYS 63 -12.510 -0.825 -2.305 480 HA LYS 63 HA LYS 63 -11.409 -3.406 -3.174 481 HB2 LYS 63 HB2 LYS 63 -12.780 -1.319 -4.886 482 HB3 LYS 63 HB3 LYS 63 -12.249 -2.910 -5.401 483 HG2 LYS 63 HG2 LYS 63 -13.850 -3.922 -3.803 484 HG3 LYS 63 HG3 LYS 63 -14.452 -2.305 -3.440 485 HD2 LYS 63 HD2 LYS 63 -14.501 -3.671 -6.131 486 HD3 LYS 63 HD3 LYS 63 -15.885 -3.408 -5.068 487 HE2 LYS 63 HE2 LYS 63 -15.491 -0.962 -5.270 488 HE3 LYS 63 HE3 LYS 63 -14.225 -1.303 -6.448 489 HZ1 LYS 63 HZ1 LYS 63 -17.109 -1.965 -6.713 490 HZ2 LYS 63 HZ2 LYS 63 -15.910 -2.410 -7.827 491 HZ3 LYS 63 HZ3 LYS 63 -16.264 -0.768 -7.570 492 H LEU 64 H LEU 64 -9.271 -3.056 -2.824 493 HA LEU 64 HA LEU 64 -8.004 -0.596 -3.584 494 HB2 LEU 64 HB2 LEU 64 -7.157 -1.617 -1.618 495 HB3 LEU 64 HB3 LEU 64 -7.057 -3.182 -2.393 496 HG LEU 64 HG LEU 64 -4.893 -1.837 -1.843 497 HD11 LEU 64 HD11 LEU 64 -5.263 -3.107 -4.549 498 HD12 LEU 64 HD12 LEU 64 -3.720 -2.820 -3.743 499 HD13 LEU 64 HD13 LEU 64 -4.885 -3.947 -3.046 500 HD21 LEU 64 HD21 LEU 64 -5.671 -0.581 -4.463 501 HD22 LEU 64 HD22 LEU 64 -5.535 0.239 -2.906 502 HD23 LEU 64 HD23 LEU 64 -4.100 -0.440 -3.674 503 H ILE 65 H ILE 65 -7.437 -0.124 -5.470 504 HA ILE 65 HA ILE 65 -6.386 -2.179 -7.308 505 HB ILE 65 HB ILE 65 -7.939 0.336 -7.873 506 HG12 ILE 65 HG12 ILE 65 -9.201 -1.657 -6.949 507 HG13 ILE 65 HG13 ILE 65 -9.794 -1.055 -8.489 508 HG21 ILE 65 HG21 ILE 65 -6.900 -1.733 -9.817 509 HG22 ILE 65 HG22 ILE 65 -7.901 -0.342 -10.231 510 HG23 ILE 65 HG23 ILE 65 -6.269 -0.099 -9.608 511 HD11 ILE 65 HD11 ILE 65 -8.050 -3.473 -8.059 512 HD12 ILE 65 HD12 ILE 65 -9.769 -3.472 -8.457 513 HD13 ILE 65 HD13 ILE 65 -8.593 -2.873 -9.626 514 H PHE 66 H PHE 66 -4.213 -1.794 -7.093 515 HA PHE 66 HA PHE 66 -3.242 0.417 -8.484 516 HB2 PHE 66 HB2 PHE 66 -3.459 1.010 -5.779 517 HB3 PHE 66 HB3 PHE 66 -1.740 0.745 -6.100 518 HD1 PHE 66 HD1 PHE 66 -1.073 1.731 -8.571 519 HD2 PHE 66 HD2 PHE 66 -4.121 3.217 -6.002 520 HE1 PHE 66 HE1 PHE 66 -0.940 3.920 -9.687 521 HE2 PHE 66 HE2 PHE 66 -3.991 5.407 -7.108 522 HZ PHE 66 HZ PHE 66 -2.403 5.762 -8.955 523 H LYS 67 H LYS 67 -1.072 0.252 -9.078 524 HA LYS 67 HA LYS 67 0.858 -0.778 -9.615 525 HB2 LYS 67 HB2 LYS 67 1.408 -2.824 -7.783 526 HB3 LYS 67 HB3 LYS 67 2.033 -1.190 -7.751 527 HG2 LYS 67 HG2 LYS 67 0.420 -0.529 -6.118 528 HG3 LYS 67 HG3 LYS 67 -0.479 -2.060 -6.272 529 HD2 LYS 67 HD2 LYS 67 1.609 -3.233 -5.499 530 HD3 LYS 67 HD3 LYS 67 2.353 -1.661 -5.225 531 HE2 LYS 67 HE2 LYS 67 0.113 -1.333 -3.797 532 HE3 LYS 67 HE3 LYS 67 0.273 -3.085 -3.667 533 HZ1 LYS 67 HZ1 LYS 67 2.606 -2.688 -2.908 534 HZ2 LYS 67 HZ2 LYS 67 1.430 -2.129 -1.833 535 HZ3 LYS 67 HZ3 LYS 67 2.254 -1.038 -2.830 536 H GLY 68 H GLY 68 -1.635 -1.714 -10.592 537 HA2 GLY 68 HA2 GLY 68 -2.551 -3.436 -11.780 538 HA3 GLY 68 HA3 GLY 68 -0.936 -4.145 -11.842 539 H LYS 69 H LYS 69 -2.104 -3.424 -8.790 540 HA LYS 69 HA LYS 69 -2.731 -6.248 -8.314 541 HB2 LYS 69 HB2 LYS 69 -1.409 -4.239 -6.486 542 HB3 LYS 69 HB3 LYS 69 -1.833 -5.890 -6.040 543 HG2 LYS 69 HG2 LYS 69 -0.343 -6.736 -7.776 544 HG3 LYS 69 HG3 LYS 69 0.094 -5.080 -8.198 545 HD2 LYS 69 HD2 LYS 69 1.422 -4.831 -6.389 546 HD3 LYS 69 HD3 LYS 69 0.392 -5.833 -5.362 547 HE2 LYS 69 HE2 LYS 69 2.630 -6.823 -5.877 548 HE3 LYS 69 HE3 LYS 69 1.251 -7.830 -6.308 549 HZ1 LYS 69 HZ1 LYS 69 3.023 -7.712 -8.015 550 HZ2 LYS 69 HZ2 LYS 69 2.662 -6.075 -8.236 551 HZ3 LYS 69 HZ3 LYS 69 1.497 -7.255 -8.584 552 H SER 70 H SER 70 -4.415 -6.732 -7.107 553 HA SER 70 HA SER 70 -6.052 -4.520 -6.109 554 HB2 SER 70 HB2 SER 70 -8.025 -6.010 -6.550 555 HB3 SER 70 HB3 SER 70 -7.142 -5.563 -8.015 556 HG SER 70 HG SER 70 -7.150 -8.040 -6.630 557 H LEU 71 H LEU 71 -7.158 -4.947 -4.082 558 HA LEU 71 HA LEU 71 -5.257 -6.173 -2.361 559 HB2 LEU 71 HB2 LEU 71 -6.499 -5.392 -0.501 560 HB3 LEU 71 HB3 LEU 71 -6.571 -4.163 -1.755 561 HG LEU 71 HG LEU 71 -8.702 -4.093 -0.926 562 HD11 LEU 71 HD11 LEU 71 -8.915 -4.435 -3.298 563 HD12 LEU 71 HD12 LEU 71 -8.955 -6.184 -3.067 564 HD13 LEU 71 HD13 LEU 71 -10.265 -5.180 -2.444 565 HD21 LEU 71 HD21 LEU 71 -8.651 -7.079 -0.606 566 HD22 LEU 71 HD22 LEU 71 -8.489 -5.869 0.668 567 HD23 LEU 71 HD23 LEU 71 -10.011 -6.028 -0.206 568 H LYS 72 H LYS 72 -5.269 -7.873 -1.085 569 HA LYS 72 HA LYS 72 -7.433 -9.666 -0.730 570 HB2 LYS 72 HB2 LYS 72 -6.577 -10.118 -3.135 571 HB3 LYS 72 HB3 LYS 72 -5.139 -10.765 -2.360 572 HG2 LYS 72 HG2 LYS 72 -6.699 -12.331 -1.107 573 HG3 LYS 72 HG3 LYS 72 -7.947 -11.820 -2.246 574 HD2 LYS 72 HD2 LYS 72 -6.366 -12.461 -4.096 575 HD3 LYS 72 HD3 LYS 72 -5.334 -13.182 -2.863 576 HE2 LYS 72 HE2 LYS 72 -6.645 -14.932 -3.772 577 HE3 LYS 72 HE3 LYS 72 -7.306 -14.577 -2.176 578 HZ1 LYS 72 HZ1 LYS 72 -9.038 -14.870 -3.846 579 HZ2 LYS 72 HZ2 LYS 72 -8.407 -13.581 -4.751 580 HZ3 LYS 72 HZ3 LYS 72 -9.060 -13.298 -3.212 581 H GLU 73 H GLU 73 -6.448 -11.753 0.398 582 HA GLU 73 HA GLU 73 -4.720 -10.850 2.469 583 HB2 GLU 73 HB2 GLU 73 -6.427 -12.563 2.853 584 HB3 GLU 73 HB3 GLU 73 -5.604 -13.649 1.742 585 HG2 GLU 73 HG2 GLU 73 -3.707 -13.789 3.224 586 HG3 GLU 73 HG3 GLU 73 -4.438 -12.606 4.311 587 H MET 74 H MET 74 -4.281 -13.343 -0.040 588 HA MET 74 HA MET 74 -1.460 -12.511 -0.236 589 HB2 MET 74 HB2 MET 74 -2.513 -15.349 -0.377 590 HB3 MET 74 HB3 MET 74 -0.866 -14.869 -0.767 591 HG2 MET 74 HG2 MET 74 -0.604 -14.049 1.551 592 HG3 MET 74 HG3 MET 74 -2.212 -14.671 1.916 593 HE1 MET 74 HE1 MET 74 0.577 -16.217 -0.398 594 HE2 MET 74 HE2 MET 74 1.490 -15.571 0.965 595 HE3 MET 74 HE3 MET 74 1.383 -17.314 0.725 596 H GLU 75 H GLU 75 -1.743 -11.266 -2.041 597 HA GLU 75 HA GLU 75 -3.341 -12.365 -4.213 598 HB2 GLU 75 HB2 GLU 75 -3.962 -10.196 -3.233 599 HB3 GLU 75 HB3 GLU 75 -2.407 -9.546 -3.717 600 HG2 GLU 75 HG2 GLU 75 -4.261 -8.889 -5.198 601 HG3 GLU 75 HG3 GLU 75 -2.974 -9.756 -6.036 602 H THR 76 H THR 76 -1.087 -9.825 -4.913 603 HA THR 76 HA THR 76 -0.041 -11.616 -6.991 604 HB THR 76 HB THR 76 0.489 -9.192 -8.002 605 HG1 THR 76 HG1 THR 76 -1.984 -8.524 -7.059 606 HG21 THR 76 HG21 THR 76 -0.816 -10.961 -9.077 607 HG22 THR 76 HG22 THR 76 -1.619 -9.399 -9.233 608 HG23 THR 76 HG23 THR 76 -2.195 -10.573 -8.049 609 HA PRO 77 HA PRO 77 4.292 -11.892 -6.469 610 HB2 PRO 77 HB2 PRO 77 4.389 -9.733 -8.544 611 HB3 PRO 77 HB3 PRO 77 5.376 -11.193 -8.401 612 HG2 PRO 77 HG2 PRO 77 3.186 -11.020 -10.021 613 HG3 PRO 77 HG3 PRO 77 3.759 -12.534 -9.304 614 HD2 PRO 77 HD2 PRO 77 1.304 -11.112 -8.768 615 HD3 PRO 77 HD3 PRO 77 1.843 -12.668 -8.112 616 H LEU 78 H LEU 78 5.460 -11.180 -4.907 617 HA LEU 78 HA LEU 78 5.001 -8.774 -3.535 618 HB2 LEU 78 HB2 LEU 78 7.178 -10.825 -3.255 619 HB3 LEU 78 HB3 LEU 78 6.910 -9.516 -2.122 620 HG LEU 78 HG LEU 78 4.513 -10.478 -1.998 621 HD11 LEU 78 HD11 LEU 78 4.416 -12.916 -2.274 622 HD12 LEU 78 HD12 LEU 78 4.719 -12.090 -3.804 623 HD13 LEU 78 HD13 LEU 78 6.040 -12.895 -2.959 624 HD21 LEU 78 HD21 LEU 78 5.210 -11.995 -0.179 625 HD22 LEU 78 HD22 LEU 78 6.878 -11.856 -0.732 626 HD23 LEU 78 HD23 LEU 78 6.031 -10.434 -0.118 627 H SER 79 H SER 79 7.675 -9.727 -5.671 628 HA SER 79 HA SER 79 9.264 -7.462 -5.275 629 HB2 SER 79 HB2 SER 79 10.030 -7.915 -7.673 630 HB3 SER 79 HB3 SER 79 10.201 -9.247 -6.531 631 HG SER 79 HG SER 79 9.274 -9.916 -8.526 632 H ALA 80 H ALA 80 6.519 -8.015 -7.335 633 HA ALA 80 HA ALA 80 6.555 -5.413 -8.541 634 HB1 ALA 80 HB1 ALA 80 5.747 -7.357 -9.771 635 HB2 ALA 80 HB2 ALA 80 4.443 -7.561 -8.602 636 HB3 ALA 80 HB3 ALA 80 4.492 -6.126 -9.624 637 H LEU 81 H LEU 81 5.925 -6.260 -5.487 638 HA LEU 81 HA LEU 81 3.281 -5.301 -5.041 639 HB2 LEU 81 HB2 LEU 81 4.946 -6.906 -3.708 640 HB3 LEU 81 HB3 LEU 81 5.125 -5.462 -2.742 641 HG LEU 81 HG LEU 81 3.458 -6.696 -1.643 642 HD11 LEU 81 HD11 LEU 81 2.692 -4.407 -2.037 643 HD12 LEU 81 HD12 LEU 81 1.896 -4.929 -3.521 644 HD13 LEU 81 HD13 LEU 81 1.351 -5.550 -1.963 645 HD21 LEU 81 HD21 LEU 81 3.198 -8.412 -3.328 646 HD22 LEU 81 HD22 LEU 81 1.625 -7.837 -2.776 647 HD23 LEU 81 HD23 LEU 81 2.259 -7.311 -4.335 648 H GLY 82 H GLY 82 5.421 -3.308 -6.173 649 HA2 GLY 82 HA2 GLY 82 5.060 -0.910 -5.843 650 HA3 GLY 82 HA3 GLY 82 4.734 -1.264 -4.175 651 H MET 83 H MET 83 7.610 -2.440 -5.986 652 HA MET 83 HA MET 83 9.282 -1.393 -3.929 653 HB2 MET 83 HB2 MET 83 11.164 -1.958 -5.515 654 HB3 MET 83 HB3 MET 83 10.105 -3.291 -5.086 655 HG2 MET 83 HG2 MET 83 8.943 -3.046 -7.227 656 HG3 MET 83 HG3 MET 83 10.027 -1.722 -7.653 657 HE1 MET 83 HE1 MET 83 10.540 -3.064 -9.928 658 HE2 MET 83 HE2 MET 83 11.152 -4.716 -9.963 659 HE3 MET 83 HE3 MET 83 9.509 -4.395 -9.406 660 H GLN 84 H GLN 84 8.534 0.667 -3.847 661 HA GLN 84 HA GLN 84 10.481 2.493 -4.746 662 HB2 GLN 84 HB2 GLN 84 8.704 4.205 -5.452 663 HB3 GLN 84 HB3 GLN 84 9.137 2.999 -6.641 664 HG2 GLN 84 HG2 GLN 84 7.116 1.706 -5.931 665 HG3 GLN 84 HG3 GLN 84 6.670 3.093 -4.936 666 HE21 GLN 84 HE21 GLN 84 8.243 3.335 -8.053 667 HE22 GLN 84 HE22 GLN 84 6.902 4.049 -8.881 668 H ASN 85 H ASN 85 9.612 4.707 -3.338 669 HA ASN 85 HA ASN 85 9.088 3.658 -0.763 670 HB2 ASN 85 HB2 ASN 85 8.513 5.893 0.003 671 HB3 ASN 85 HB3 ASN 85 9.896 6.027 -1.086 672 HD21 ASN 85 HD21 ASN 85 9.182 6.501 -3.448 673 HD22 ASN 85 HD22 ASN 85 7.966 7.715 -3.606 674 H GLY 86 H GLY 86 7.439 2.359 -0.513 675 HA2 GLY 86 HA2 GLY 86 5.370 1.595 -0.219 676 HA3 GLY 86 HA3 GLY 86 4.881 3.273 -0.058 677 H CYS 87 H CYS 87 5.748 3.484 -3.037 678 HA CYS 87 HA CYS 87 4.610 3.819 -4.922 679 HB2 CYS 87 HB2 CYS 87 3.680 1.966 -6.010 680 HB3 CYS 87 HB3 CYS 87 5.037 1.368 -5.079 681 HG CYS 87 HG CYS 87 2.855 0.810 -2.997 682 H ARG 88 H ARG 88 1.965 2.599 -5.546 683 HA ARG 88 HA ARG 88 0.344 4.423 -3.903 684 HB2 ARG 88 HB2 ARG 88 -0.135 3.832 -6.823 685 HB3 ARG 88 HB3 ARG 88 -0.950 5.025 -5.829 686 HG2 ARG 88 HG2 ARG 88 0.441 6.391 -6.965 687 HG3 ARG 88 HG3 ARG 88 1.505 5.988 -5.620 688 HD2 ARG 88 HD2 ARG 88 2.885 4.718 -6.909 689 HD3 ARG 88 HD3 ARG 88 1.579 4.183 -7.972 690 HE ARG 88 HE ARG 88 1.868 6.859 -8.505 691 HH11 ARG 88 HH11 ARG 88 4.037 4.106 -8.547 692 HH12 ARG 88 HH12 ARG 88 4.990 4.715 -9.859 693 HH21 ARG 88 HH21 ARG 88 3.127 7.653 -10.248 694 HH22 ARG 88 HH22 ARG 88 4.489 6.732 -10.816 695 H VAL 89 H VAL 89 -1.744 3.768 -3.456 696 HA VAL 89 HA VAL 89 -2.884 1.341 -4.549 697 HB VAL 89 HB VAL 89 -3.480 0.587 -2.150 698 HG11 VAL 89 HG11 VAL 89 -0.679 0.207 -3.193 699 HG12 VAL 89 HG12 VAL 89 -1.467 -0.805 -1.981 700 HG13 VAL 89 HG13 VAL 89 -2.101 -0.742 -3.625 701 HG21 VAL 89 HG21 VAL 89 -0.985 2.175 -1.567 702 HG22 VAL 89 HG22 VAL 89 -2.613 2.540 -0.994 703 HG23 VAL 89 HG23 VAL 89 -1.797 1.076 -0.450 704 H MET 90 H MET 90 -4.849 2.110 -5.166 705 HA MET 90 HA MET 90 -6.188 3.595 -3.017 706 HB2 MET 90 HB2 MET 90 -6.854 5.311 -4.163 707 HB3 MET 90 HB3 MET 90 -5.547 4.892 -5.261 708 HG2 MET 90 HG2 MET 90 -8.326 3.851 -5.637 709 HG3 MET 90 HG3 MET 90 -7.852 5.439 -6.238 710 HE1 MET 90 HE1 MET 90 -8.689 4.548 -8.661 711 HE2 MET 90 HE2 MET 90 -8.025 3.113 -9.441 712 HE3 MET 90 HE3 MET 90 -9.020 2.949 -7.993 713 H LEU 91 H LEU 91 -8.092 3.122 -2.439 714 HA LEU 91 HA LEU 91 -9.292 0.814 -3.750 715 HB2 LEU 91 HB2 LEU 91 -10.373 0.269 -1.671 716 HB3 LEU 91 HB3 LEU 91 -8.645 0.343 -1.464 717 HG LEU 91 HG LEU 91 -9.451 1.245 0.495 718 HD11 LEU 91 HD11 LEU 91 -9.040 3.632 -1.276 719 HD12 LEU 91 HD12 LEU 91 -9.065 3.661 0.488 720 HD13 LEU 91 HD13 LEU 91 -7.814 2.755 -0.361 721 HD21 LEU 91 HD21 LEU 91 -11.308 2.821 0.690 722 HD22 LEU 91 HD22 LEU 91 -11.531 2.778 -1.059 723 HD23 LEU 91 HD23 LEU 91 -11.801 1.323 -0.100 724 H ILE 92 H ILE 92 -11.220 0.946 -4.626 725 HA ILE 92 HA ILE 92 -12.721 3.400 -4.059 726 HB ILE 92 HB ILE 92 -12.931 1.613 -6.499 727 HG12 ILE 92 HG12 ILE 92 -11.763 4.386 -6.159 728 HG13 ILE 92 HG13 ILE 92 -10.859 2.911 -6.485 729 HG21 ILE 92 HG21 ILE 92 -14.414 3.347 -7.395 730 HG22 ILE 92 HG22 ILE 92 -15.070 2.620 -5.927 731 HG23 ILE 92 HG23 ILE 92 -14.318 4.213 -5.861 732 HD11 ILE 92 HD11 ILE 92 -11.084 4.233 -8.491 733 HD12 ILE 92 HD12 ILE 92 -11.985 2.725 -8.656 734 HD13 ILE 92 HD13 ILE 92 -12.840 4.232 -8.324 735 H GLY 93 H GLY 93 -14.208 3.101 -2.680 736 HA2 GLY 93 HA2 GLY 93 -16.459 1.570 -3.000 737 HA3 GLY 93 HA3 GLY 93 -15.344 0.545 -2.101 738 H GLU 94 H GLU 94 -14.614 1.234 -0.039 739 HA GLU 94 HA GLU 94 -16.022 3.489 1.137 740 HB2 GLU 94 HB2 GLU 94 -17.252 1.119 1.241 741 HB3 GLU 94 HB3 GLU 94 -16.195 0.934 2.633 742 HG2 GLU 94 HG2 GLU 94 -18.398 1.798 3.251 743 HG3 GLU 94 HG3 GLU 94 -17.095 2.914 3.655 744 H LYS 95 H LYS 95 -14.378 4.586 2.006 745 HA LYS 95 HA LYS 95 -12.451 3.145 3.682 746 HB2 LYS 95 HB2 LYS 95 -12.503 5.841 2.415 747 HB3 LYS 95 HB3 LYS 95 -11.722 5.721 3.982 748 HG2 LYS 95 HG2 LYS 95 -10.345 3.824 2.972 749 HG3 LYS 95 HG3 LYS 95 -10.956 4.377 1.410 750 HD2 LYS 95 HD2 LYS 95 -10.007 6.550 1.734 751 HD3 LYS 95 HD3 LYS 95 -9.573 6.164 3.397 752 HE2 LYS 95 HE2 LYS 95 -8.047 4.372 2.482 753 HE3 LYS 95 HE3 LYS 95 -8.382 5.028 0.868 754 HZ1 LYS 95 HZ1 LYS 95 -7.347 6.707 3.085 755 HZ2 LYS 95 HZ2 LYS 95 -7.376 7.063 1.427 756 HZ3 LYS 95 HZ3 LYS 95 -6.325 5.876 2.017 757 H SER 96 H SER 96 -14.548 2.640 4.847 758 HA SER 96 HA SER 96 -16.089 4.546 6.161 759 HB2 SER 96 HB2 SER 96 -15.443 1.715 6.986 760 HB3 SER 96 HB3 SER 96 -16.698 2.702 7.734 761 HG SER 96 HG SER 96 -17.951 2.256 6.124 762 H ASN 97 H ASN 97 -16.072 5.547 8.113 763 HA ASN 97 HA ASN 97 -13.865 4.968 9.959 764 HB2 ASN 97 HB2 ASN 97 -14.719 7.646 8.906 765 HB3 ASN 97 HB3 ASN 97 -14.070 7.520 10.537 766 HD21 ASN 97 HD21 ASN 97 -11.932 6.805 10.819 767 HD22 ASN 97 HD22 ASN 97 -10.772 6.938 9.540 Start of MODEL 17 1 H1 MET 1 H1 MET 1 2.625 13.959 -10.869 2 H2 MET 1 H2 MET 1 2.002 14.996 -9.681 3 H3 MET 1 H3 MET 1 1.427 13.405 -9.802 4 HA MET 1 HA MET 1 4.167 14.221 -9.043 5 HB2 MET 1 HB2 MET 1 2.551 14.654 -7.275 6 HB3 MET 1 HB3 MET 1 1.900 13.030 -7.435 7 HG2 MET 1 HG2 MET 1 3.974 12.080 -6.641 8 HG3 MET 1 HG3 MET 1 4.709 13.683 -6.573 9 HE1 MET 1 HE1 MET 1 1.002 12.900 -5.636 10 HE2 MET 1 HE2 MET 1 1.799 11.422 -5.101 11 HE3 MET 1 HE3 MET 1 1.111 12.531 -3.915 12 H ALA 2 H ALA 2 5.304 12.864 -10.332 13 HA ALA 2 HA ALA 2 4.590 10.086 -10.635 14 HB1 ALA 2 HB1 ALA 2 6.678 9.924 -11.912 15 HB2 ALA 2 HB2 ALA 2 5.691 11.279 -12.457 16 HB3 ALA 2 HB3 ALA 2 7.097 11.569 -11.432 17 H LYS 3 H LYS 3 5.045 8.554 -9.203 18 HA LYS 3 HA LYS 3 6.941 9.182 -7.064 19 HB2 LYS 3 HB2 LYS 3 4.588 8.466 -6.536 20 HB3 LYS 3 HB3 LYS 3 4.995 6.886 -7.192 21 HG2 LYS 3 HG2 LYS 3 6.824 6.718 -5.505 22 HG3 LYS 3 HG3 LYS 3 6.230 8.228 -4.800 23 HD2 LYS 3 HD2 LYS 3 3.925 6.903 -4.873 24 HD3 LYS 3 HD3 LYS 3 5.021 5.517 -4.791 25 HE2 LYS 3 HE2 LYS 3 4.329 6.158 -2.574 26 HE3 LYS 3 HE3 LYS 3 6.054 6.454 -2.789 27 HZ1 LYS 3 HZ1 LYS 3 3.925 8.526 -2.934 28 HZ2 LYS 3 HZ2 LYS 3 5.587 8.804 -3.106 29 HZ3 LYS 3 HZ3 LYS 3 4.963 8.271 -1.623 30 H THR 4 H THR 4 8.870 8.381 -7.122 31 HA THR 4 HA THR 4 9.533 5.685 -7.711 32 HB THR 4 HB THR 4 10.546 7.653 -9.795 33 HG1 THR 4 HG1 THR 4 8.215 6.265 -9.770 34 HG21 THR 4 HG21 THR 4 12.078 5.829 -9.292 35 HG22 THR 4 HG22 THR 4 11.396 5.635 -10.905 36 HG23 THR 4 HG23 THR 4 10.792 4.654 -9.569 37 H GLU 5 H GLU 5 10.630 9.037 -7.723 38 HA GLU 5 HA GLU 5 13.373 8.354 -7.143 39 HB2 GLU 5 HB2 GLU 5 12.155 11.110 -7.137 40 HB3 GLU 5 HB3 GLU 5 13.816 10.656 -7.490 41 HG2 GLU 5 HG2 GLU 5 13.225 9.767 -9.595 42 HG3 GLU 5 HG3 GLU 5 11.504 9.832 -9.216 43 H GLU 6 H GLU 6 12.269 7.318 -5.031 44 HA GLU 6 HA GLU 6 12.801 9.215 -2.870 45 HB2 GLU 6 HB2 GLU 6 10.240 7.657 -3.168 46 HB3 GLU 6 HB3 GLU 6 10.759 8.368 -1.654 47 HG2 GLU 6 HG2 GLU 6 10.367 9.982 -4.149 48 HG3 GLU 6 HG3 GLU 6 9.062 9.639 -3.013 49 H MET 7 H MET 7 11.054 6.273 -2.426 50 HA MET 7 HA MET 7 11.380 4.505 -1.083 51 HB2 MET 7 HB2 MET 7 13.606 4.551 -2.881 52 HB3 MET 7 HB3 MET 7 14.161 3.986 -1.307 53 HG2 MET 7 HG2 MET 7 12.508 2.251 -1.281 54 HG3 MET 7 HG3 MET 7 11.780 2.865 -2.769 55 HE1 MET 7 HE1 MET 7 15.974 0.927 -2.544 56 HE2 MET 7 HE2 MET 7 15.645 2.553 -1.946 57 HE3 MET 7 HE3 MET 7 14.917 1.158 -1.151 58 H VAL 8 H VAL 8 11.670 7.157 -0.027 59 HA VAL 8 HA VAL 8 12.508 6.347 2.594 60 HB VAL 8 HB VAL 8 13.866 8.600 2.822 61 HG11 VAL 8 HG11 VAL 8 15.097 6.142 1.587 62 HG12 VAL 8 HG12 VAL 8 15.963 7.407 2.460 63 HG13 VAL 8 HG13 VAL 8 14.786 6.401 3.305 64 HG21 VAL 8 HG21 VAL 8 14.275 7.939 -0.089 65 HG22 VAL 8 HG22 VAL 8 13.534 9.399 0.565 66 HG23 VAL 8 HG23 VAL 8 15.246 9.079 0.842 67 H GLN 9 H GLN 9 10.134 6.726 2.727 68 HA GLN 9 HA GLN 9 9.749 9.575 3.424 69 HB2 GLN 9 HB2 GLN 9 7.840 7.683 2.105 70 HB3 GLN 9 HB3 GLN 9 7.250 9.062 3.023 71 HG2 GLN 9 HG2 GLN 9 9.187 9.258 0.729 72 HG3 GLN 9 HG3 GLN 9 7.441 9.463 0.585 73 HE21 GLN 9 HE21 GLN 9 10.394 10.820 1.847 74 HE22 GLN 9 HE22 GLN 9 9.763 12.408 2.147 75 H THR 10 H THR 10 8.149 6.427 4.145 76 HA THR 10 HA THR 10 8.192 7.248 6.979 77 HB THR 10 HB THR 10 6.254 5.252 5.803 78 HG1 THR 10 HG1 THR 10 5.343 7.819 6.406 79 HG21 THR 10 HG21 THR 10 4.937 5.820 7.804 80 HG22 THR 10 HG22 THR 10 6.213 6.919 8.326 81 HG23 THR 10 HG23 THR 10 6.528 5.187 8.228 82 H GLU 11 H GLU 11 9.781 6.198 7.997 83 HA GLU 11 HA GLU 11 10.660 3.609 7.032 84 HB2 GLU 11 HB2 GLU 11 12.188 5.508 7.662 85 HB3 GLU 11 HB3 GLU 11 11.758 5.196 9.335 86 HG2 GLU 11 HG2 GLU 11 12.720 3.018 9.257 87 HG3 GLU 11 HG3 GLU 11 12.971 3.139 7.516 88 H GLU 12 H GLU 12 10.763 1.755 8.178 89 HA GLU 12 HA GLU 12 9.618 1.585 10.856 90 HB2 GLU 12 HB2 GLU 12 7.801 1.059 9.200 91 HB3 GLU 12 HB3 GLU 12 8.801 -0.237 8.572 92 HG2 GLU 12 HG2 GLU 12 7.042 -1.053 10.053 93 HG3 GLU 12 HG3 GLU 12 8.649 -1.423 10.670 94 H MET 13 H MET 13 10.010 -1.046 11.390 95 HA MET 13 HA MET 13 12.766 -1.108 11.740 96 HB2 MET 13 HB2 MET 13 10.830 -3.408 11.873 97 HB3 MET 13 HB3 MET 13 12.471 -3.417 12.501 98 HG2 MET 13 HG2 MET 13 11.915 -1.657 14.067 99 HG3 MET 13 HG3 MET 13 10.280 -1.577 13.416 100 HE1 MET 13 HE1 MET 13 12.460 -4.793 14.046 101 HE2 MET 13 HE2 MET 13 12.878 -3.751 15.405 102 HE3 MET 13 HE3 MET 13 11.963 -5.232 15.679 103 H GLU 14 H GLU 14 10.856 -2.923 9.273 104 HA GLU 14 HA GLU 14 13.458 -3.506 8.031 105 HB2 GLU 14 HB2 GLU 14 12.043 -5.481 8.547 106 HB3 GLU 14 HB3 GLU 14 10.839 -4.861 7.429 107 HG2 GLU 14 HG2 GLU 14 12.169 -6.570 6.357 108 HG3 GLU 14 HG3 GLU 14 12.461 -5.007 5.594 109 H THR 15 H THR 15 10.559 -1.698 7.583 110 HA THR 15 HA THR 15 10.621 -1.483 4.749 111 HB THR 15 HB THR 15 9.766 0.826 6.405 112 HG1 THR 15 HG1 THR 15 7.722 -0.906 6.295 113 HG21 THR 15 HG21 THR 15 8.500 -0.626 4.087 114 HG22 THR 15 HG22 THR 15 9.435 0.867 3.995 115 HG23 THR 15 HG23 THR 15 7.883 0.848 4.834 116 HA PRO 16 HA PRO 16 14.137 1.152 4.665 117 HB2 PRO 16 HB2 PRO 16 14.440 1.361 2.056 118 HB3 PRO 16 HB3 PRO 16 14.469 -0.223 2.843 119 HG2 PRO 16 HG2 PRO 16 12.305 1.014 1.232 120 HG3 PRO 16 HG3 PRO 16 12.826 -0.678 1.314 121 HD2 PRO 16 HD2 PRO 16 10.694 0.546 2.747 122 HD3 PRO 16 HD3 PRO 16 11.340 -1.114 2.971 123 H ARG 17 H ARG 17 11.954 2.407 5.524 124 HA ARG 17 HA ARG 17 10.775 4.326 5.668 125 HB2 ARG 17 HB2 ARG 17 13.263 5.115 5.454 126 HB3 ARG 17 HB3 ARG 17 12.778 5.639 3.851 127 HG2 ARG 17 HG2 ARG 17 11.180 7.159 4.747 128 HG3 ARG 17 HG3 ARG 17 11.398 6.509 6.375 129 HD2 ARG 17 HD2 ARG 17 13.490 7.941 4.743 130 HD3 ARG 17 HD3 ARG 17 12.581 8.633 6.088 131 HE ARG 17 HE ARG 17 14.019 6.225 6.763 132 HH11 ARG 17 HH11 ARG 17 14.278 9.709 6.471 133 HH12 ARG 17 HH12 ARG 17 15.544 9.832 7.658 134 HH21 ARG 17 HH21 ARG 17 15.663 6.371 8.282 135 HH22 ARG 17 HH22 ARG 17 16.352 7.920 8.681 136 H LEU 18 H LEU 18 9.393 2.869 4.201 137 HA LEU 18 HA LEU 18 9.028 4.196 1.602 138 HB2 LEU 18 HB2 LEU 18 8.951 1.398 2.436 139 HB3 LEU 18 HB3 LEU 18 7.619 1.913 1.429 140 HG LEU 18 HG LEU 18 9.030 2.484 -0.367 141 HD11 LEU 18 HD11 LEU 18 11.464 2.395 -0.242 142 HD12 LEU 18 HD12 LEU 18 10.791 3.594 0.864 143 HD13 LEU 18 HD13 LEU 18 11.358 2.042 1.482 144 HD21 LEU 18 HD21 LEU 18 10.184 0.385 -0.828 145 HD22 LEU 18 HD22 LEU 18 10.016 -0.077 0.864 146 HD23 LEU 18 HD23 LEU 18 8.582 0.114 -0.145 147 H SER 19 H SER 19 7.296 5.360 1.339 148 HA SER 19 HA SER 19 4.924 4.826 2.975 149 HB2 SER 19 HB2 SER 19 6.009 6.826 3.746 150 HB3 SER 19 HB3 SER 19 6.125 7.446 2.091 151 HG SER 19 HG SER 19 3.783 7.060 3.663 152 H VAL 20 H VAL 20 3.125 4.568 1.937 153 HA VAL 20 HA VAL 20 3.089 4.820 -0.981 154 HB VAL 20 HB VAL 20 2.689 2.565 -0.065 155 HG11 VAL 20 HG11 VAL 20 0.273 3.808 1.213 156 HG12 VAL 20 HG12 VAL 20 0.665 2.088 1.186 157 HG13 VAL 20 HG13 VAL 20 1.706 3.218 2.054 158 HG21 VAL 20 HG21 VAL 20 0.583 2.065 -1.215 159 HG22 VAL 20 HG22 VAL 20 0.236 3.791 -1.315 160 HG23 VAL 20 HG23 VAL 20 1.623 3.118 -2.172 161 H ILE 21 H ILE 21 1.248 5.579 -2.009 162 HA ILE 21 HA ILE 21 -0.236 7.644 -0.547 163 HB ILE 21 HB ILE 21 -0.421 7.071 -3.495 164 HG12 ILE 21 HG12 ILE 21 1.786 8.677 -2.195 165 HG13 ILE 21 HG13 ILE 21 1.987 7.043 -2.833 166 HG21 ILE 21 HG21 ILE 21 -1.876 8.769 -2.494 167 HG22 ILE 21 HG22 ILE 21 -0.453 9.637 -1.920 168 HG23 ILE 21 HG23 ILE 21 -0.744 9.469 -3.651 169 HD11 ILE 21 HD11 ILE 21 1.168 9.463 -4.440 170 HD12 ILE 21 HD12 ILE 21 2.792 8.777 -4.374 171 HD13 ILE 21 HD13 ILE 21 1.466 7.841 -5.064 172 H VAL 22 H VAL 22 -2.089 6.900 0.347 173 HA VAL 22 HA VAL 22 -3.608 4.852 -1.121 174 HB VAL 22 HB VAL 22 -3.903 5.579 1.792 175 HG11 VAL 22 HG11 VAL 22 -5.116 3.457 1.918 176 HG12 VAL 22 HG12 VAL 22 -5.876 4.589 0.799 177 HG13 VAL 22 HG13 VAL 22 -4.915 3.248 0.178 178 HG21 VAL 22 HG21 VAL 22 -2.696 3.490 2.266 179 HG22 VAL 22 HG22 VAL 22 -2.356 3.312 0.545 180 HG23 VAL 22 HG23 VAL 22 -1.683 4.675 1.440 181 H THR 23 H THR 23 -5.304 5.616 -2.180 182 HA THR 23 HA THR 23 -6.750 7.841 -0.941 183 HB THR 23 HB THR 23 -5.366 8.769 -2.718 184 HG1 THR 23 HG1 THR 23 -6.984 9.933 -3.656 185 HG21 THR 23 HG21 THR 23 -6.877 6.931 -4.569 186 HG22 THR 23 HG22 THR 23 -5.168 6.810 -4.155 187 HG23 THR 23 HG23 THR 23 -5.759 8.202 -5.062 188 H HIS 24 H HIS 24 -8.911 8.091 -1.569 189 HA HIS 24 HA HIS 24 -10.202 5.893 -3.035 190 HB2 HIS 24 HB2 HIS 24 -10.672 5.295 -0.771 191 HB3 HIS 24 HB3 HIS 24 -10.893 6.969 -0.290 192 HD1 HIS 24 HD1 HIS 24 -13.227 7.148 0.457 193 HD2 HIS 24 HD2 HIS 24 -12.890 4.951 -3.066 194 HE1 HIS 24 HE1 HIS 24 -15.590 6.616 -0.252 195 HE2 HIS 24 HE2 HIS 24 -15.362 5.454 -2.482 196 H SER 25 H SER 25 -10.943 6.986 -4.774 197 HA SER 25 HA SER 25 -11.651 8.638 -6.157 198 HB2 SER 25 HB2 SER 25 -13.652 8.631 -4.641 199 HB3 SER 25 HB3 SER 25 -12.892 9.922 -3.712 200 HG SER 25 HG SER 25 -14.170 10.958 -5.151 201 H ASN 26 H ASN 26 -10.716 10.139 -3.078 202 HA ASN 26 HA ASN 26 -8.385 11.372 -4.181 203 HB2 ASN 26 HB2 ASN 26 -10.210 12.961 -4.904 204 HB3 ASN 26 HB3 ASN 26 -10.557 13.241 -3.199 205 HD21 ASN 26 HD21 ASN 26 -9.996 15.356 -3.134 206 HD22 ASN 26 HD22 ASN 26 -8.374 15.930 -3.366 207 H GLU 27 H GLU 27 -10.665 10.815 -1.649 208 HA GLU 27 HA GLU 27 -9.584 11.720 0.665 209 HB2 GLU 27 HB2 GLU 27 -11.639 10.427 0.481 210 HB3 GLU 27 HB3 GLU 27 -10.717 8.993 0.080 211 HG2 GLU 27 HG2 GLU 27 -9.765 8.941 2.300 212 HG3 GLU 27 HG3 GLU 27 -10.618 10.431 2.715 213 H ARG 28 H ARG 28 -7.554 11.684 1.388 214 HA ARG 28 HA ARG 28 -5.777 9.540 0.446 215 HB2 ARG 28 HB2 ARG 28 -5.311 11.682 -0.611 216 HB3 ARG 28 HB3 ARG 28 -5.176 12.456 0.962 217 HG2 ARG 28 HG2 ARG 28 -2.973 12.122 0.205 218 HG3 ARG 28 HG3 ARG 28 -3.254 10.886 1.434 219 HD2 ARG 28 HD2 ARG 28 -2.090 9.980 -0.544 220 HD3 ARG 28 HD3 ARG 28 -3.666 9.229 -0.283 221 HE ARG 28 HE ARG 28 -4.295 9.992 -2.333 222 HH11 ARG 28 HH11 ARG 28 -1.699 12.085 -1.209 223 HH12 ARG 28 HH12 ARG 28 -1.666 13.011 -2.674 224 HH21 ARG 28 HH21 ARG 28 -4.218 11.212 -4.258 225 HH22 ARG 28 HH22 ARG 28 -3.069 12.517 -4.409 226 H TYR 29 H TYR 29 -4.877 8.323 1.919 227 HA TYR 29 HA TYR 29 -3.947 9.586 4.401 228 HB2 TYR 29 HB2 TYR 29 -5.084 6.801 4.083 229 HB3 TYR 29 HB3 TYR 29 -4.157 7.311 5.490 230 HD1 TYR 29 HD1 TYR 29 -5.065 9.062 6.994 231 HD2 TYR 29 HD2 TYR 29 -7.372 7.432 3.814 232 HE1 TYR 29 HE1 TYR 29 -7.109 9.948 8.032 233 HE2 TYR 29 HE2 TYR 29 -9.423 8.314 4.843 234 HH TYR 29 HH TYR 29 -9.355 10.551 7.461 235 H ASP 30 H ASP 30 -1.795 9.322 4.789 236 HA ASP 30 HA ASP 30 -0.185 7.918 2.819 237 HB2 ASP 30 HB2 ASP 30 1.728 8.774 4.026 238 HB3 ASP 30 HB3 ASP 30 0.551 10.071 3.876 239 H LEU 31 H LEU 31 0.853 6.000 3.106 240 HA LEU 31 HA LEU 31 0.365 4.523 5.597 241 HB2 LEU 31 HB2 LEU 31 -1.206 4.237 3.348 242 HB3 LEU 31 HB3 LEU 31 -0.028 2.950 3.161 243 HG LEU 31 HG LEU 31 -2.226 2.353 4.306 244 HD11 LEU 31 HD11 LEU 31 0.393 1.850 5.761 245 HD12 LEU 31 HD12 LEU 31 -1.091 0.915 5.961 246 HD13 LEU 31 HD13 LEU 31 -0.250 0.912 4.411 247 HD21 LEU 31 HD21 LEU 31 -2.351 4.363 5.713 248 HD22 LEU 31 HD22 LEU 31 -2.354 2.895 6.691 249 HD23 LEU 31 HD23 LEU 31 -0.889 3.868 6.568 250 H LEU 32 H LEU 32 1.768 2.522 5.740 251 HA LEU 32 HA LEU 32 4.266 3.101 4.286 252 HB2 LEU 32 HB2 LEU 32 4.904 3.658 6.377 253 HB3 LEU 32 HB3 LEU 32 3.692 2.636 7.140 254 HG LEU 32 HG LEU 32 6.031 1.305 5.843 255 HD11 LEU 32 HD11 LEU 32 7.025 3.163 7.079 256 HD12 LEU 32 HD12 LEU 32 6.123 2.693 8.518 257 HD13 LEU 32 HD13 LEU 32 7.362 1.622 7.865 258 HD21 LEU 32 HD21 LEU 32 4.488 0.804 8.393 259 HD22 LEU 32 HD22 LEU 32 4.222 -0.015 6.854 260 HD23 LEU 32 HD23 LEU 32 5.744 -0.234 7.719 261 H VAL 33 H VAL 33 5.384 1.491 3.366 262 HA VAL 33 HA VAL 33 3.997 -0.838 2.587 263 HB VAL 33 HB VAL 33 6.522 0.445 1.861 264 HG11 VAL 33 HG11 VAL 33 7.570 -1.506 2.892 265 HG12 VAL 33 HG12 VAL 33 6.555 -2.571 1.920 266 HG13 VAL 33 HG13 VAL 33 7.745 -1.530 1.137 267 HG21 VAL 33 HG21 VAL 33 4.576 0.207 0.406 268 HG22 VAL 33 HG22 VAL 33 6.004 -0.550 -0.301 269 HG23 VAL 33 HG23 VAL 33 4.756 -1.548 0.445 270 H THR 34 H THR 34 4.591 -3.071 2.948 271 HA THR 34 HA THR 34 4.719 -3.335 5.812 272 HB THR 34 HB THR 34 4.279 -5.501 3.764 273 HG1 THR 34 HG1 THR 34 2.798 -3.675 3.577 274 HG21 THR 34 HG21 THR 34 3.038 -6.586 5.599 275 HG22 THR 34 HG22 THR 34 3.487 -5.261 6.672 276 HG23 THR 34 HG23 THR 34 4.732 -6.325 6.017 277 HA PRO 35 HA PRO 35 9.015 -4.383 5.923 278 HB2 PRO 35 HB2 PRO 35 9.038 -4.866 8.604 279 HB3 PRO 35 HB3 PRO 35 9.074 -3.241 7.912 280 HG2 PRO 35 HG2 PRO 35 6.752 -4.781 9.007 281 HG3 PRO 35 HG3 PRO 35 7.183 -3.077 9.254 282 HD2 PRO 35 HD2 PRO 35 5.283 -3.822 7.504 283 HD3 PRO 35 HD3 PRO 35 6.351 -2.438 7.194 284 H GLN 36 H GLN 36 10.284 -6.196 6.470 285 HA GLN 36 HA GLN 36 10.817 -8.377 6.735 286 HB2 GLN 36 HB2 GLN 36 7.938 -8.733 7.603 287 HB3 GLN 36 HB3 GLN 36 9.184 -9.973 7.699 288 HG2 GLN 36 HG2 GLN 36 10.366 -8.824 9.356 289 HG3 GLN 36 HG3 GLN 36 9.523 -7.313 9.034 290 HE21 GLN 36 HE21 GLN 36 7.953 -10.441 9.340 291 HE22 GLN 36 HE22 GLN 36 7.112 -10.066 10.808 292 H GLN 37 H GLN 37 11.199 -8.325 4.573 293 HA GLN 37 HA GLN 37 9.891 -10.128 2.887 294 HB2 GLN 37 HB2 GLN 37 8.565 -7.593 2.884 295 HB3 GLN 37 HB3 GLN 37 9.515 -7.706 1.392 296 HG2 GLN 37 HG2 GLN 37 7.229 -9.399 2.298 297 HG3 GLN 37 HG3 GLN 37 7.534 -8.650 0.724 298 HE21 GLN 37 HE21 GLN 37 8.944 -9.638 -0.715 299 HE22 GLN 37 HE22 GLN 37 9.384 -11.307 -0.574 300 H GLY 38 H GLY 38 11.849 -7.251 3.216 301 HA2 GLY 38 HA2 GLY 38 14.133 -7.551 2.108 302 HA3 GLY 38 HA3 GLY 38 13.171 -7.807 0.649 303 H ASN 39 H ASN 39 11.313 -5.855 2.274 304 HA ASN 39 HA ASN 39 10.834 -3.715 2.595 305 HB2 ASN 39 HB2 ASN 39 12.462 -2.069 3.050 306 HB3 ASN 39 HB3 ASN 39 13.059 -3.592 3.695 307 HD21 ASN 39 HD21 ASN 39 15.170 -3.049 3.758 308 HD22 ASN 39 HD22 ASN 39 16.137 -2.723 2.362 309 H SER 40 H SER 40 12.654 -4.494 -0.231 310 HA SER 40 HA SER 40 11.389 -2.309 -1.688 311 HB2 SER 40 HB2 SER 40 13.684 -2.559 -2.218 312 HB3 SER 40 HB3 SER 40 13.527 -4.317 -2.371 313 HG SER 40 HG SER 40 11.840 -3.298 -4.094 314 H GLU 41 H GLU 41 10.799 -5.511 -0.851 315 HA GLU 41 HA GLU 41 8.939 -5.748 -3.102 316 HB2 GLU 41 HB2 GLU 41 9.458 -8.207 -3.195 317 HB3 GLU 41 HB3 GLU 41 10.734 -7.154 -3.784 318 HG2 GLU 41 HG2 GLU 41 11.954 -7.436 -1.701 319 HG3 GLU 41 HG3 GLU 41 10.656 -8.446 -1.065 320 HA PRO 42 HA PRO 42 6.974 -6.059 1.072 321 HB2 PRO 42 HB2 PRO 42 4.709 -5.012 -0.523 322 HB3 PRO 42 HB3 PRO 42 5.360 -4.445 1.018 323 HG2 PRO 42 HG2 PRO 42 5.774 -3.084 -1.233 324 HG3 PRO 42 HG3 PRO 42 7.035 -3.216 0.008 325 HD2 PRO 42 HD2 PRO 42 6.772 -4.669 -2.592 326 HD3 PRO 42 HD3 PRO 42 8.225 -4.014 -1.808 327 H VAL 43 H VAL 43 4.935 -7.168 1.738 328 HA VAL 43 HA VAL 43 4.864 -9.704 0.396 329 HB VAL 43 HB VAL 43 3.281 -10.387 2.147 330 HG11 VAL 43 HG11 VAL 43 4.831 -10.240 4.034 331 HG12 VAL 43 HG12 VAL 43 5.663 -10.633 2.529 332 HG13 VAL 43 HG13 VAL 43 5.741 -8.995 3.178 333 HG21 VAL 43 HG21 VAL 43 2.114 -8.306 2.523 334 HG22 VAL 43 HG22 VAL 43 2.840 -8.854 4.035 335 HG23 VAL 43 HG23 VAL 43 3.593 -7.550 3.114 336 H VAL 44 H VAL 44 2.888 -10.789 -0.262 337 HA VAL 44 HA VAL 44 1.328 -9.473 -2.125 338 HB VAL 44 HB VAL 44 -0.313 -11.409 -1.753 339 HG11 VAL 44 HG11 VAL 44 1.401 -11.423 -3.482 340 HG12 VAL 44 HG12 VAL 44 2.592 -12.000 -2.316 341 HG13 VAL 44 HG13 VAL 44 1.229 -13.024 -2.764 342 HG21 VAL 44 HG21 VAL 44 0.588 -13.285 -0.429 343 HG22 VAL 44 HG22 VAL 44 1.896 -12.242 0.132 344 HG23 VAL 44 HG23 VAL 44 0.227 -11.879 0.573 345 H GLN 45 H GLN 45 0.889 -9.775 1.287 346 HA GLN 45 HA GLN 45 -1.801 -8.939 1.495 347 HB2 GLN 45 HB2 GLN 45 0.467 -8.780 3.474 348 HB3 GLN 45 HB3 GLN 45 -1.209 -8.440 3.863 349 HG2 GLN 45 HG2 GLN 45 -1.811 -10.729 3.352 350 HG3 GLN 45 HG3 GLN 45 -0.150 -11.064 2.862 351 HE21 GLN 45 HE21 GLN 45 0.057 -12.682 4.388 352 HE22 GLN 45 HE22 GLN 45 0.237 -12.347 6.080 353 H ASP 46 H ASP 46 1.175 -7.231 1.016 354 HA ASP 46 HA ASP 46 0.790 -4.945 2.587 355 HB2 ASP 46 HB2 ASP 46 2.989 -5.392 1.761 356 HB3 ASP 46 HB3 ASP 46 2.412 -5.464 0.107 357 H LEU 47 H LEU 47 -0.049 -5.473 -0.847 358 HA LEU 47 HA LEU 47 -0.678 -2.825 -1.379 359 HB2 LEU 47 HB2 LEU 47 -1.270 -3.582 -3.393 360 HB3 LEU 47 HB3 LEU 47 -0.437 -5.003 -2.850 361 HG LEU 47 HG LEU 47 -3.424 -4.685 -2.664 362 HD11 LEU 47 HD11 LEU 47 -2.674 -4.535 -4.983 363 HD12 LEU 47 HD12 LEU 47 -1.782 -6.044 -4.785 364 HD13 LEU 47 HD13 LEU 47 -3.540 -6.039 -4.669 365 HD21 LEU 47 HD21 LEU 47 -1.645 -7.116 -2.559 366 HD22 LEU 47 HD22 LEU 47 -2.406 -6.349 -1.165 367 HD23 LEU 47 HD23 LEU 47 -3.403 -7.098 -2.413 368 H ALA 48 H ALA 48 -2.643 -5.481 -0.155 369 HA ALA 48 HA ALA 48 -5.097 -4.061 0.038 370 HB1 ALA 48 HB1 ALA 48 -5.810 -5.917 1.455 371 HB2 ALA 48 HB2 ALA 48 -4.979 -6.518 0.023 372 HB3 ALA 48 HB3 ALA 48 -4.141 -6.481 1.574 373 H GLN 49 H GLN 49 -2.361 -4.647 2.078 374 HA GLN 49 HA GLN 49 -3.406 -3.914 4.541 375 HB2 GLN 49 HB2 GLN 49 -1.330 -5.107 4.423 376 HB3 GLN 49 HB3 GLN 49 -0.598 -3.873 3.431 377 HG2 GLN 49 HG2 GLN 49 0.362 -3.426 5.436 378 HG3 GLN 49 HG3 GLN 49 -1.020 -2.340 5.462 379 HE21 GLN 49 HE21 GLN 49 -1.445 -5.762 5.886 380 HE22 GLN 49 HE22 GLN 49 -1.870 -5.694 7.560 381 H LEU 50 H LEU 50 -1.577 -2.144 2.178 382 HA LEU 50 HA LEU 50 -1.271 0.249 3.566 383 HB2 LEU 50 HB2 LEU 50 -1.552 -0.258 0.610 384 HB3 LEU 50 HB3 LEU 50 -0.907 1.210 1.318 385 HG LEU 50 HG LEU 50 0.366 -1.520 1.606 386 HD11 LEU 50 HD11 LEU 50 0.508 -0.696 -0.676 387 HD12 LEU 50 HD12 LEU 50 1.158 0.835 -0.088 388 HD13 LEU 50 HD13 LEU 50 2.082 -0.655 0.119 389 HD21 LEU 50 HD21 LEU 50 0.774 -0.068 3.509 390 HD22 LEU 50 HD22 LEU 50 2.235 -0.322 2.551 391 HD23 LEU 50 HD23 LEU 50 1.344 1.194 2.418 392 H VAL 51 H VAL 51 -3.736 -0.599 1.153 393 HA VAL 51 HA VAL 51 -5.271 1.784 1.406 394 HB VAL 51 HB VAL 51 -5.244 -0.558 -0.135 395 HG11 VAL 51 HG11 VAL 51 -7.034 -1.447 1.220 396 HG12 VAL 51 HG12 VAL 51 -7.955 0.043 1.010 397 HG13 VAL 51 HG13 VAL 51 -7.637 -1.000 -0.375 398 HG21 VAL 51 HG21 VAL 51 -5.239 1.720 -0.937 399 HG22 VAL 51 HG22 VAL 51 -6.583 0.816 -1.636 400 HG23 VAL 51 HG23 VAL 51 -6.875 1.955 -0.321 401 H GLU 52 H GLU 52 -5.303 -1.323 3.053 402 HA GLU 52 HA GLU 52 -7.756 -0.991 4.456 403 HB2 GLU 52 HB2 GLU 52 -6.987 -3.204 4.199 404 HB3 GLU 52 HB3 GLU 52 -5.367 -2.803 4.743 405 HG2 GLU 52 HG2 GLU 52 -6.196 -2.523 7.017 406 HG3 GLU 52 HG3 GLU 52 -7.829 -2.900 6.472 407 H GLU 53 H GLU 53 -4.348 -0.510 5.341 408 HA GLU 53 HA GLU 53 -4.907 0.059 8.082 409 HB2 GLU 53 HB2 GLU 53 -2.785 -0.917 7.376 410 HB3 GLU 53 HB3 GLU 53 -2.430 0.500 6.406 411 HG2 GLU 53 HG2 GLU 53 -1.134 0.630 8.377 412 HG3 GLU 53 HG3 GLU 53 -2.403 1.844 8.503 413 H ALA 54 H ALA 54 -4.725 1.935 5.176 414 HA ALA 54 HA ALA 54 -4.144 4.456 6.201 415 HB1 ALA 54 HB1 ALA 54 -5.270 5.348 4.231 416 HB2 ALA 54 HB2 ALA 54 -4.261 3.963 3.816 417 HB3 ALA 54 HB3 ALA 54 -6.010 3.776 3.933 418 H THR 55 H THR 55 -7.214 2.743 6.062 419 HA THR 55 HA THR 55 -8.425 4.936 7.604 420 HB THR 55 HB THR 55 -9.614 4.835 5.604 421 HG1 THR 55 HG1 THR 55 -10.826 4.147 7.803 422 HG21 THR 55 HG21 THR 55 -8.659 2.792 4.719 423 HG22 THR 55 HG22 THR 55 -10.417 2.752 4.580 424 HG23 THR 55 HG23 THR 55 -9.612 1.831 5.851 425 H GLY 56 H GLY 56 -7.675 1.567 7.553 426 HA2 GLY 56 HA2 GLY 56 -7.627 0.180 9.437 427 HA3 GLY 56 HA3 GLY 56 -8.694 1.302 10.271 428 H VAL 57 H VAL 57 -9.588 0.388 7.072 429 HA VAL 57 HA VAL 57 -11.796 -1.160 8.189 430 HB VAL 57 HB VAL 57 -13.007 -0.747 6.166 431 HG11 VAL 57 HG11 VAL 57 -13.122 0.969 7.852 432 HG12 VAL 57 HG12 VAL 57 -11.694 1.757 7.182 433 HG13 VAL 57 HG13 VAL 57 -13.188 1.697 6.247 434 HG21 VAL 57 HG21 VAL 57 -10.549 0.654 5.134 435 HG22 VAL 57 HG22 VAL 57 -11.192 -0.881 4.552 436 HG23 VAL 57 HG23 VAL 57 -12.118 0.605 4.331 437 HA PRO 58 HA PRO 58 -10.389 -4.997 6.652 438 HB2 PRO 58 HB2 PRO 58 -12.712 -6.262 6.294 439 HB3 PRO 58 HB3 PRO 58 -12.167 -5.765 7.893 440 HG2 PRO 58 HG2 PRO 58 -14.025 -4.308 6.033 441 HG3 PRO 58 HG3 PRO 58 -14.311 -4.763 7.733 442 HD2 PRO 58 HD2 PRO 58 -13.476 -2.313 7.095 443 HD3 PRO 58 HD3 PRO 58 -12.826 -3.146 8.527 444 H LEU 59 H LEU 59 -10.221 -6.328 4.910 445 HA LEU 59 HA LEU 59 -9.993 -5.327 2.401 446 HB2 LEU 59 HB2 LEU 59 -8.906 -7.321 3.012 447 HB3 LEU 59 HB3 LEU 59 -10.416 -8.139 3.358 448 HG LEU 59 HG LEU 59 -9.958 -7.251 0.553 449 HD11 LEU 59 HD11 LEU 59 -7.787 -8.169 1.160 450 HD12 LEU 59 HD12 LEU 59 -8.565 -9.612 1.808 451 HD13 LEU 59 HD13 LEU 59 -8.648 -9.267 0.081 452 HD21 LEU 59 HD21 LEU 59 -11.074 -9.775 1.776 453 HD22 LEU 59 HD22 LEU 59 -12.028 -8.388 1.246 454 HD23 LEU 59 HD23 LEU 59 -11.114 -9.332 0.069 455 HA PRO 60 HA PRO 60 -14.414 -6.870 1.090 456 HB2 PRO 60 HB2 PRO 60 -15.968 -6.494 3.562 457 HB3 PRO 60 HB3 PRO 60 -16.017 -7.816 2.389 458 HG2 PRO 60 HG2 PRO 60 -14.946 -8.174 4.792 459 HG3 PRO 60 HG3 PRO 60 -14.215 -8.915 3.358 460 HD2 PRO 60 HD2 PRO 60 -13.423 -6.408 4.802 461 HD3 PRO 60 HD3 PRO 60 -12.388 -7.746 4.262 462 H PHE 61 H PHE 61 -13.796 -4.356 3.451 463 HA PHE 61 HA PHE 61 -15.988 -2.690 2.541 464 HB2 PHE 61 HB2 PHE 61 -14.037 -2.620 4.748 465 HB3 PHE 61 HB3 PHE 61 -14.549 -1.051 4.131 466 HD1 PHE 61 HD1 PHE 61 -15.756 -4.233 5.571 467 HD2 PHE 61 HD2 PHE 61 -16.675 -0.176 4.661 468 HE1 PHE 61 HE1 PHE 61 -17.814 -4.402 6.908 469 HE2 PHE 61 HE2 PHE 61 -18.735 -0.341 5.994 470 HZ PHE 61 HZ PHE 61 -19.324 -2.442 7.096 471 H GLN 62 H GLN 62 -12.645 -3.087 1.790 472 HA GLN 62 HA GLN 62 -12.837 -0.635 0.186 473 HB2 GLN 62 HB2 GLN 62 -10.495 -0.384 0.178 474 HB3 GLN 62 HB3 GLN 62 -10.922 -0.630 1.846 475 HG2 GLN 62 HG2 GLN 62 -10.329 -3.134 0.542 476 HG3 GLN 62 HG3 GLN 62 -9.023 -1.969 0.332 477 HE21 GLN 62 HE21 GLN 62 -11.100 -2.053 3.153 478 HE22 GLN 62 HE22 GLN 62 -9.863 -2.543 4.253 479 H LYS 63 H LYS 63 -12.033 -0.740 -1.970 480 HA LYS 63 HA LYS 63 -11.350 -3.441 -2.880 481 HB2 LYS 63 HB2 LYS 63 -13.574 -2.695 -3.763 482 HB3 LYS 63 HB3 LYS 63 -12.766 -1.338 -4.534 483 HG2 LYS 63 HG2 LYS 63 -13.158 -3.093 -6.144 484 HG3 LYS 63 HG3 LYS 63 -11.424 -2.909 -5.866 485 HD2 LYS 63 HD2 LYS 63 -11.914 -5.249 -5.916 486 HD3 LYS 63 HD3 LYS 63 -11.563 -4.808 -4.244 487 HE2 LYS 63 HE2 LYS 63 -13.471 -6.268 -4.275 488 HE3 LYS 63 HE3 LYS 63 -14.005 -4.646 -3.831 489 HZ1 LYS 63 HZ1 LYS 63 -15.509 -5.638 -5.427 490 HZ2 LYS 63 HZ2 LYS 63 -14.237 -5.883 -6.523 491 HZ3 LYS 63 HZ3 LYS 63 -14.722 -4.309 -6.127 492 H LEU 64 H LEU 64 -9.187 -3.148 -2.676 493 HA LEU 64 HA LEU 64 -7.973 -0.676 -3.446 494 HB2 LEU 64 HB2 LEU 64 -7.102 -1.704 -1.490 495 HB3 LEU 64 HB3 LEU 64 -6.951 -3.255 -2.297 496 HG LEU 64 HG LEU 64 -4.831 -1.886 -1.760 497 HD11 LEU 64 HD11 LEU 64 -4.766 -3.891 -3.108 498 HD12 LEU 64 HD12 LEU 64 -5.260 -2.975 -4.531 499 HD13 LEU 64 HD13 LEU 64 -3.694 -2.664 -3.782 500 HD21 LEU 64 HD21 LEU 64 -4.142 -0.327 -3.496 501 HD22 LEU 64 HD22 LEU 64 -5.727 -0.473 -4.254 502 HD23 LEU 64 HD23 LEU 64 -5.581 0.237 -2.647 503 H ILE 65 H ILE 65 -7.469 -0.176 -5.339 504 HA ILE 65 HA ILE 65 -6.345 -2.162 -7.216 505 HB ILE 65 HB ILE 65 -7.877 0.354 -7.827 506 HG12 ILE 65 HG12 ILE 65 -8.810 -2.530 -8.011 507 HG13 ILE 65 HG13 ILE 65 -9.373 -1.331 -6.854 508 HG21 ILE 65 HG21 ILE 65 -6.263 -0.234 -9.553 509 HG22 ILE 65 HG22 ILE 65 -6.914 -1.872 -9.637 510 HG23 ILE 65 HG23 ILE 65 -7.900 -0.504 -10.150 511 HD11 ILE 65 HD11 ILE 65 -9.762 -1.221 -9.836 512 HD12 ILE 65 HD12 ILE 65 -10.980 -1.657 -8.637 513 HD13 ILE 65 HD13 ILE 65 -10.328 -0.020 -8.675 514 H PHE 66 H PHE 66 -4.186 -1.693 -7.057 515 HA PHE 66 HA PHE 66 -3.332 0.611 -8.366 516 HB2 PHE 66 HB2 PHE 66 -3.543 1.099 -5.649 517 HB3 PHE 66 HB3 PHE 66 -1.818 0.893 -5.973 518 HD1 PHE 66 HD1 PHE 66 -1.262 1.955 -8.482 519 HD2 PHE 66 HD2 PHE 66 -4.172 3.331 -5.708 520 HE1 PHE 66 HE1 PHE 66 -1.180 4.186 -9.510 521 HE2 PHE 66 HE2 PHE 66 -4.094 5.565 -6.726 522 HZ PHE 66 HZ PHE 66 -2.598 5.996 -8.633 523 H LYS 67 H LYS 67 -1.127 0.623 -8.899 524 HA LYS 67 HA LYS 67 0.797 -0.310 -9.583 525 HB2 LYS 67 HB2 LYS 67 1.403 -2.517 -7.996 526 HB3 LYS 67 HB3 LYS 67 2.020 -0.899 -7.805 527 HG2 LYS 67 HG2 LYS 67 0.375 -0.422 -6.097 528 HG3 LYS 67 HG3 LYS 67 -0.414 -1.993 -6.352 529 HD2 LYS 67 HD2 LYS 67 1.751 -3.078 -5.684 530 HD3 LYS 67 HD3 LYS 67 2.400 -1.483 -5.311 531 HE2 LYS 67 HE2 LYS 67 0.163 -1.387 -3.829 532 HE3 LYS 67 HE3 LYS 67 0.414 -3.131 -3.833 533 HZ1 LYS 67 HZ1 LYS 67 2.723 -2.690 -3.038 534 HZ2 LYS 67 HZ2 LYS 67 1.523 -2.243 -1.934 535 HZ3 LYS 67 HZ3 LYS 67 2.308 -1.061 -2.855 536 H GLY 68 H GLY 68 -1.714 -1.147 -10.560 537 HA2 GLY 68 HA2 GLY 68 -2.652 -2.699 -11.931 538 HA3 GLY 68 HA3 GLY 68 -1.042 -3.373 -12.149 539 H LYS 69 H LYS 69 -2.091 -3.157 -8.970 540 HA LYS 69 HA LYS 69 -2.738 -6.027 -8.944 541 HB2 LYS 69 HB2 LYS 69 -1.182 -4.420 -6.909 542 HB3 LYS 69 HB3 LYS 69 -1.589 -6.124 -6.765 543 HG2 LYS 69 HG2 LYS 69 -0.135 -6.736 -8.489 544 HG3 LYS 69 HG3 LYS 69 0.005 -5.082 -9.079 545 HD2 LYS 69 HD2 LYS 69 2.034 -5.485 -7.977 546 HD3 LYS 69 HD3 LYS 69 1.082 -4.550 -6.824 547 HE2 LYS 69 HE2 LYS 69 1.350 -7.553 -6.803 548 HE3 LYS 69 HE3 LYS 69 2.286 -6.454 -5.799 549 HZ1 LYS 69 HZ1 LYS 69 0.411 -7.401 -4.612 550 HZ2 LYS 69 HZ2 LYS 69 -0.658 -6.741 -5.744 551 HZ3 LYS 69 HZ3 LYS 69 0.259 -5.721 -4.757 552 H SER 70 H SER 70 -4.297 -6.692 -7.511 553 HA SER 70 HA SER 70 -5.880 -4.553 -6.268 554 HB2 SER 70 HB2 SER 70 -6.931 -5.629 -8.304 555 HB3 SER 70 HB3 SER 70 -6.990 -7.138 -7.391 556 HG SER 70 HG SER 70 -8.107 -4.746 -6.377 557 H LEU 71 H LEU 71 -6.888 -5.077 -4.252 558 HA LEU 71 HA LEU 71 -4.964 -6.356 -2.603 559 HB2 LEU 71 HB2 LEU 71 -6.102 -5.496 -0.778 560 HB3 LEU 71 HB3 LEU 71 -6.645 -4.418 -2.070 561 HG LEU 71 HG LEU 71 -8.237 -6.826 -1.187 562 HD11 LEU 71 HD11 LEU 71 -8.488 -3.972 -0.273 563 HD12 LEU 71 HD12 LEU 71 -9.594 -5.287 0.118 564 HD13 LEU 71 HD13 LEU 71 -7.931 -5.330 0.704 565 HD21 LEU 71 HD21 LEU 71 -8.999 -4.347 -2.729 566 HD22 LEU 71 HD22 LEU 71 -8.775 -5.959 -3.409 567 HD23 LEU 71 HD23 LEU 71 -10.087 -5.657 -2.269 568 H LYS 72 H LYS 72 -4.929 -8.245 -1.507 569 HA LYS 72 HA LYS 72 -7.188 -9.686 -0.740 570 HB2 LYS 72 HB2 LYS 72 -6.699 -10.224 -3.377 571 HB3 LYS 72 HB3 LYS 72 -5.733 -11.473 -2.596 572 HG2 LYS 72 HG2 LYS 72 -7.682 -12.257 -1.380 573 HG3 LYS 72 HG3 LYS 72 -8.662 -10.970 -2.085 574 HD2 LYS 72 HD2 LYS 72 -8.217 -11.914 -4.326 575 HD3 LYS 72 HD3 LYS 72 -7.331 -13.238 -3.565 576 HE2 LYS 72 HE2 LYS 72 -9.559 -13.988 -4.054 577 HE3 LYS 72 HE3 LYS 72 -9.387 -13.825 -2.307 578 HZ1 LYS 72 HZ1 LYS 72 -11.500 -12.934 -3.134 579 HZ2 LYS 72 HZ2 LYS 72 -10.661 -11.809 -4.085 580 HZ3 LYS 72 HZ3 LYS 72 -10.564 -11.732 -2.396 581 H GLU 73 H GLU 73 -6.063 -12.267 -0.505 582 HA GLU 73 HA GLU 73 -4.345 -11.733 1.723 583 HB2 GLU 73 HB2 GLU 73 -6.067 -13.474 1.812 584 HB3 GLU 73 HB3 GLU 73 -5.247 -14.360 0.537 585 HG2 GLU 73 HG2 GLU 73 -4.826 -15.306 2.752 586 HG3 GLU 73 HG3 GLU 73 -3.347 -14.747 1.971 587 H MET 74 H MET 74 -3.866 -14.037 -0.971 588 HA MET 74 HA MET 74 -0.994 -13.376 -0.846 589 HB2 MET 74 HB2 MET 74 -0.572 -15.746 -1.555 590 HB3 MET 74 HB3 MET 74 -1.258 -15.580 0.054 591 HG2 MET 74 HG2 MET 74 -3.459 -16.163 -0.812 592 HG3 MET 74 HG3 MET 74 -2.786 -16.304 -2.436 593 HE1 MET 74 HE1 MET 74 -3.587 -20.018 -1.412 594 HE2 MET 74 HE2 MET 74 -4.502 -18.574 -0.978 595 HE3 MET 74 HE3 MET 74 -3.862 -18.753 -2.610 596 H GLU 75 H GLU 75 -2.208 -11.806 -2.424 597 HA GLU 75 HA GLU 75 -2.897 -12.792 -4.957 598 HB2 GLU 75 HB2 GLU 75 -3.242 -10.367 -5.408 599 HB3 GLU 75 HB3 GLU 75 -4.030 -10.997 -3.971 600 HG2 GLU 75 HG2 GLU 75 -3.263 -9.024 -3.184 601 HG3 GLU 75 HG3 GLU 75 -1.949 -10.108 -2.733 602 H THR 76 H THR 76 -1.454 -10.088 -5.895 603 HA THR 76 HA THR 76 0.155 -11.471 -7.762 604 HB THR 76 HB THR 76 0.504 -8.540 -7.270 605 HG1 THR 76 HG1 THR 76 -1.687 -8.683 -6.994 606 HG21 THR 76 HG21 THR 76 1.603 -9.591 -9.201 607 HG22 THR 76 HG22 THR 76 0.377 -8.430 -9.709 608 HG23 THR 76 HG23 THR 76 0.037 -10.158 -9.780 609 HA PRO 77 HA PRO 77 4.304 -12.167 -6.295 610 HB2 PRO 77 HB2 PRO 77 4.828 -10.155 -8.463 611 HB3 PRO 77 HB3 PRO 77 5.747 -11.608 -8.046 612 HG2 PRO 77 HG2 PRO 77 3.937 -11.612 -10.030 613 HG3 PRO 77 HG3 PRO 77 4.192 -13.027 -8.993 614 HD2 PRO 77 HD2 PRO 77 1.878 -11.241 -9.150 615 HD3 PRO 77 HD3 PRO 77 2.019 -12.827 -8.368 616 H LEU 78 H LEU 78 5.436 -11.408 -4.740 617 HA LEU 78 HA LEU 78 4.914 -8.975 -3.449 618 HB2 LEU 78 HB2 LEU 78 7.067 -11.034 -3.032 619 HB3 LEU 78 HB3 LEU 78 6.776 -9.696 -1.941 620 HG LEU 78 HG LEU 78 4.375 -10.626 -1.840 621 HD11 LEU 78 HD11 LEU 78 5.872 -13.069 -2.784 622 HD12 LEU 78 HD12 LEU 78 4.245 -13.071 -2.103 623 HD13 LEU 78 HD13 LEU 78 4.560 -12.251 -3.633 624 HD21 LEU 78 HD21 LEU 78 6.667 -12.096 -0.544 625 HD22 LEU 78 HD22 LEU 78 5.919 -10.610 0.041 626 HD23 LEU 78 HD23 LEU 78 4.992 -12.110 0.008 627 H SER 79 H SER 79 7.594 -9.995 -5.498 628 HA SER 79 HA SER 79 9.237 -7.767 -5.171 629 HB2 SER 79 HB2 SER 79 9.781 -9.860 -6.485 630 HB3 SER 79 HB3 SER 79 8.789 -9.216 -7.793 631 HG SER 79 HG SER 79 11.287 -8.381 -6.850 632 H ALA 80 H ALA 80 6.375 -8.227 -7.092 633 HA ALA 80 HA ALA 80 6.487 -5.678 -8.409 634 HB1 ALA 80 HB1 ALA 80 4.332 -6.292 -9.342 635 HB2 ALA 80 HB2 ALA 80 5.468 -7.634 -9.483 636 HB3 ALA 80 HB3 ALA 80 4.222 -7.661 -8.235 637 H LEU 81 H LEU 81 6.009 -6.341 -5.287 638 HA LEU 81 HA LEU 81 3.396 -5.354 -4.808 639 HB2 LEU 81 HB2 LEU 81 5.280 -6.787 -3.362 640 HB3 LEU 81 HB3 LEU 81 5.010 -5.316 -2.452 641 HG LEU 81 HG LEU 81 3.497 -6.903 -1.585 642 HD11 LEU 81 HD11 LEU 81 2.493 -4.716 -1.942 643 HD12 LEU 81 HD12 LEU 81 1.962 -5.204 -3.551 644 HD13 LEU 81 HD13 LEU 81 1.299 -6.000 -2.124 645 HD21 LEU 81 HD21 LEU 81 1.961 -8.200 -2.984 646 HD22 LEU 81 HD22 LEU 81 2.695 -7.507 -4.431 647 HD23 LEU 81 HD23 LEU 81 3.648 -8.543 -3.369 648 H GLY 82 H GLY 82 5.466 -3.362 -6.025 649 HA2 GLY 82 HA2 GLY 82 5.065 -0.963 -5.730 650 HA3 GLY 82 HA3 GLY 82 4.804 -1.289 -4.043 651 H MET 83 H MET 83 7.613 -2.439 -5.947 652 HA MET 83 HA MET 83 9.416 -1.433 -4.011 653 HB2 MET 83 HB2 MET 83 11.170 -1.961 -5.679 654 HB3 MET 83 HB3 MET 83 10.038 -3.282 -5.449 655 HG2 MET 83 HG2 MET 83 10.003 -1.341 -7.754 656 HG3 MET 83 HG3 MET 83 10.681 -2.965 -7.797 657 HE1 MET 83 HE1 MET 83 8.575 -1.985 -9.952 658 HE2 MET 83 HE2 MET 83 9.269 -3.605 -9.903 659 HE3 MET 83 HE3 MET 83 7.523 -3.398 -10.031 660 H GLN 84 H GLN 84 8.527 0.654 -3.838 661 HA GLN 84 HA GLN 84 10.535 2.481 -4.589 662 HB2 GLN 84 HB2 GLN 84 8.978 4.283 -5.347 663 HB3 GLN 84 HB3 GLN 84 9.197 3.024 -6.534 664 HG2 GLN 84 HG2 GLN 84 7.043 2.018 -5.595 665 HG3 GLN 84 HG3 GLN 84 6.820 3.576 -4.802 666 HE21 GLN 84 HE21 GLN 84 8.297 3.125 -7.943 667 HE22 GLN 84 HE22 GLN 84 7.047 3.901 -8.857 668 H ASN 85 H ASN 85 9.695 4.671 -3.181 669 HA ASN 85 HA ASN 85 9.125 3.627 -0.620 670 HB2 ASN 85 HB2 ASN 85 8.393 5.900 0.073 671 HB3 ASN 85 HB3 ASN 85 9.927 5.946 -0.792 672 HD21 ASN 85 HD21 ASN 85 8.642 5.698 -3.446 673 HD22 ASN 85 HD22 ASN 85 7.920 7.236 -3.745 674 H GLY 86 H GLY 86 7.455 2.307 -0.381 675 HA2 GLY 86 HA2 GLY 86 5.372 1.544 -0.118 676 HA3 GLY 86 HA3 GLY 86 4.884 3.221 0.070 677 H CYS 87 H CYS 87 5.789 3.523 -2.875 678 HA CYS 87 HA CYS 87 4.738 3.863 -4.798 679 HB2 CYS 87 HB2 CYS 87 3.729 2.059 -5.929 680 HB3 CYS 87 HB3 CYS 87 5.116 1.452 -5.052 681 HG CYS 87 HG CYS 87 2.924 0.832 -2.954 682 H ARG 88 H ARG 88 1.974 2.388 -5.194 683 HA ARG 88 HA ARG 88 0.371 4.404 -3.790 684 HB2 ARG 88 HB2 ARG 88 0.016 3.784 -6.730 685 HB3 ARG 88 HB3 ARG 88 -0.817 5.015 -5.796 686 HG2 ARG 88 HG2 ARG 88 0.693 6.302 -6.909 687 HG3 ARG 88 HG3 ARG 88 1.619 5.942 -5.453 688 HD2 ARG 88 HD2 ARG 88 3.174 5.485 -7.092 689 HD3 ARG 88 HD3 ARG 88 2.458 3.891 -6.845 690 HE ARG 88 HE ARG 88 0.960 4.909 -8.847 691 HH11 ARG 88 HH11 ARG 88 4.406 4.543 -8.363 692 HH12 ARG 88 HH12 ARG 88 4.769 4.447 -10.059 693 HH21 ARG 88 HH21 ARG 88 1.418 4.806 -11.084 694 HH22 ARG 88 HH22 ARG 88 3.070 4.619 -11.614 695 H VAL 89 H VAL 89 -1.721 3.750 -3.309 696 HA VAL 89 HA VAL 89 -2.862 1.322 -4.420 697 HB VAL 89 HB VAL 89 -3.441 0.463 -2.100 698 HG11 VAL 89 HG11 VAL 89 -0.546 0.343 -2.922 699 HG12 VAL 89 HG12 VAL 89 -1.356 -0.777 -1.826 700 HG13 VAL 89 HG13 VAL 89 -1.842 -0.692 -3.518 701 HG21 VAL 89 HG21 VAL 89 -2.811 2.471 -0.867 702 HG22 VAL 89 HG22 VAL 89 -1.960 1.045 -0.270 703 HG23 VAL 89 HG23 VAL 89 -1.123 2.206 -1.300 704 H MET 90 H MET 90 -4.847 1.997 -5.003 705 HA MET 90 HA MET 90 -6.205 3.595 -2.939 706 HB2 MET 90 HB2 MET 90 -7.099 5.104 -4.307 707 HB3 MET 90 HB3 MET 90 -5.556 4.829 -5.105 708 HG2 MET 90 HG2 MET 90 -6.697 3.293 -6.677 709 HG3 MET 90 HG3 MET 90 -8.222 3.690 -5.877 710 HE1 MET 90 HE1 MET 90 -8.499 5.523 -9.348 711 HE2 MET 90 HE2 MET 90 -7.684 3.988 -9.045 712 HE3 MET 90 HE3 MET 90 -9.228 4.334 -8.269 713 H LEU 91 H LEU 91 -8.108 3.094 -2.329 714 HA LEU 91 HA LEU 91 -9.313 0.747 -3.573 715 HB2 LEU 91 HB2 LEU 91 -10.330 0.200 -1.481 716 HB3 LEU 91 HB3 LEU 91 -8.606 0.349 -1.279 717 HG LEU 91 HG LEU 91 -9.427 1.271 0.661 718 HD11 LEU 91 HD11 LEU 91 -7.882 2.832 -0.311 719 HD12 LEU 91 HD12 LEU 91 -9.202 3.653 -1.144 720 HD13 LEU 91 HD13 LEU 91 -9.124 3.671 0.618 721 HD21 LEU 91 HD21 LEU 91 -11.792 1.223 0.074 722 HD22 LEU 91 HD22 LEU 91 -11.359 2.748 0.849 723 HD23 LEU 91 HD23 LEU 91 -11.587 2.681 -0.898 724 H ILE 92 H ILE 92 -11.266 0.873 -4.425 725 HA ILE 92 HA ILE 92 -12.761 3.318 -3.821 726 HB ILE 92 HB ILE 92 -13.041 1.560 -6.277 727 HG12 ILE 92 HG12 ILE 92 -11.863 4.338 -6.021 728 HG13 ILE 92 HG13 ILE 92 -10.922 2.862 -6.213 729 HG21 ILE 92 HG21 ILE 92 -14.493 3.347 -7.128 730 HG22 ILE 92 HG22 ILE 92 -15.138 2.630 -5.652 731 HG23 ILE 92 HG23 ILE 92 -14.336 4.200 -5.592 732 HD11 ILE 92 HD11 ILE 92 -12.885 3.980 -8.203 733 HD12 ILE 92 HD12 ILE 92 -11.126 4.057 -8.313 734 HD13 ILE 92 HD13 ILE 92 -11.948 2.499 -8.400 735 H GLY 93 H GLY 93 -14.230 3.069 -2.485 736 HA2 GLY 93 HA2 GLY 93 -16.466 1.508 -2.635 737 HA3 GLY 93 HA3 GLY 93 -15.302 0.536 -1.735 738 H GLU 94 H GLU 94 -14.637 1.184 0.299 739 HA GLU 94 HA GLU 94 -15.676 3.683 1.336 740 HB2 GLU 94 HB2 GLU 94 -16.735 1.029 1.965 741 HB3 GLU 94 HB3 GLU 94 -16.407 2.040 3.372 742 HG2 GLU 94 HG2 GLU 94 -17.789 3.818 2.365 743 HG3 GLU 94 HG3 GLU 94 -18.168 2.731 1.031 744 H LYS 95 H LYS 95 -13.946 4.600 2.208 745 HA LYS 95 HA LYS 95 -12.225 3.062 3.992 746 HB2 LYS 95 HB2 LYS 95 -12.256 5.923 3.029 747 HB3 LYS 95 HB3 LYS 95 -11.337 5.476 4.448 748 HG2 LYS 95 HG2 LYS 95 -10.077 3.841 3.032 749 HG3 LYS 95 HG3 LYS 95 -10.921 4.504 1.627 750 HD2 LYS 95 HD2 LYS 95 -10.009 6.709 2.097 751 HD3 LYS 95 HD3 LYS 95 -9.220 6.094 3.547 752 HE2 LYS 95 HE2 LYS 95 -7.795 4.641 2.177 753 HE3 LYS 95 HE3 LYS 95 -8.618 5.214 0.712 754 HZ1 LYS 95 HZ1 LYS 95 -7.839 7.455 1.189 755 HZ2 LYS 95 HZ2 LYS 95 -6.534 6.383 1.062 756 HZ3 LYS 95 HZ3 LYS 95 -7.050 6.908 2.583 757 H SER 96 H SER 96 -14.324 2.518 5.105 758 HA SER 96 HA SER 96 -15.874 4.522 6.370 759 HB2 SER 96 HB2 SER 96 -15.716 1.632 7.202 760 HB3 SER 96 HB3 SER 96 -17.104 2.722 7.292 761 HG SER 96 HG SER 96 -17.556 2.316 5.264 762 H ASN 97 H ASN 97 -14.172 5.761 7.476 763 HA ASN 97 HA ASN 97 -13.628 4.585 10.113 764 HB2 ASN 97 HB2 ASN 97 -11.650 6.039 10.293 765 HB3 ASN 97 HB3 ASN 97 -11.526 4.928 8.940 766 HD21 ASN 97 HD21 ASN 97 -10.093 7.364 9.407 767 HD22 ASN 97 HD22 ASN 97 -10.426 8.416 8.064 Start of MODEL 18 1 H1 MET 1 H1 MET 1 3.026 11.541 -10.107 2 H2 MET 1 H2 MET 1 3.810 12.643 -11.132 3 H3 MET 1 H3 MET 1 2.147 12.787 -10.845 4 HA MET 1 HA MET 1 3.547 14.405 -9.647 5 HB2 MET 1 HB2 MET 1 2.375 14.103 -7.473 6 HB3 MET 1 HB3 MET 1 1.314 14.006 -8.867 7 HG2 MET 1 HG2 MET 1 1.347 11.551 -8.689 8 HG3 MET 1 HG3 MET 1 2.359 11.694 -7.251 9 HE1 MET 1 HE1 MET 1 -1.184 10.619 -5.846 10 HE2 MET 1 HE2 MET 1 -0.457 10.117 -7.374 11 HE3 MET 1 HE3 MET 1 0.529 10.198 -5.912 12 H ALA 2 H ALA 2 5.360 12.269 -10.197 13 HA ALA 2 HA ALA 2 7.410 11.617 -9.549 14 HB1 ALA 2 HB1 ALA 2 7.675 13.990 -9.082 15 HB2 ALA 2 HB2 ALA 2 7.088 13.737 -7.437 16 HB3 ALA 2 HB3 ALA 2 8.605 13.003 -7.953 17 H LYS 3 H LYS 3 6.557 9.515 -8.914 18 HA LYS 3 HA LYS 3 7.625 9.034 -6.269 19 HB2 LYS 3 HB2 LYS 3 5.066 9.152 -6.046 20 HB3 LYS 3 HB3 LYS 3 5.063 7.615 -6.909 21 HG2 LYS 3 HG2 LYS 3 6.849 6.936 -5.124 22 HG3 LYS 3 HG3 LYS 3 6.138 8.264 -4.205 23 HD2 LYS 3 HD2 LYS 3 3.890 6.981 -4.940 24 HD3 LYS 3 HD3 LYS 3 5.017 5.612 -4.905 25 HE2 LYS 3 HE2 LYS 3 3.886 5.930 -2.751 26 HE3 LYS 3 HE3 LYS 3 5.634 6.125 -2.628 27 HZ1 LYS 3 HZ1 LYS 3 4.161 7.812 -1.423 28 HZ2 LYS 3 HZ2 LYS 3 3.851 8.475 -2.952 29 HZ3 LYS 3 HZ3 LYS 3 5.433 8.416 -2.362 30 H THR 4 H THR 4 9.192 7.798 -6.688 31 HA THR 4 HA THR 4 9.015 5.146 -7.362 32 HB THR 4 HB THR 4 8.491 5.639 -9.645 33 HG1 THR 4 HG1 THR 4 9.967 4.334 -10.449 34 HG21 THR 4 HG21 THR 4 9.195 7.976 -9.765 35 HG22 THR 4 HG22 THR 4 9.888 7.048 -11.096 36 HG23 THR 4 HG23 THR 4 10.888 7.482 -9.709 37 H GLU 5 H GLU 5 11.179 7.855 -8.189 38 HA GLU 5 HA GLU 5 13.449 6.576 -6.957 39 HB2 GLU 5 HB2 GLU 5 13.748 7.990 -8.942 40 HB3 GLU 5 HB3 GLU 5 13.099 9.368 -8.066 41 HG2 GLU 5 HG2 GLU 5 14.985 9.242 -6.500 42 HG3 GLU 5 HG3 GLU 5 15.643 7.893 -7.427 43 H GLU 6 H GLU 6 12.854 6.322 -4.833 44 HA GLU 6 HA GLU 6 13.347 8.587 -3.145 45 HB2 GLU 6 HB2 GLU 6 10.598 7.556 -3.499 46 HB3 GLU 6 HB3 GLU 6 11.120 7.738 -1.835 47 HG2 GLU 6 HG2 GLU 6 11.037 9.896 -3.927 48 HG3 GLU 6 HG3 GLU 6 9.923 9.686 -2.572 49 H MET 7 H MET 7 11.359 5.900 -2.247 50 HA MET 7 HA MET 7 11.559 4.373 -0.628 51 HB2 MET 7 HB2 MET 7 14.010 4.029 -2.267 52 HB3 MET 7 HB3 MET 7 13.935 3.171 -0.726 53 HG2 MET 7 HG2 MET 7 12.034 1.978 -1.346 54 HG3 MET 7 HG3 MET 7 11.694 3.043 -2.714 55 HE1 MET 7 HE1 MET 7 14.458 2.021 -5.277 56 HE2 MET 7 HE2 MET 7 13.003 2.979 -5.003 57 HE3 MET 7 HE3 MET 7 14.484 3.361 -4.129 58 H VAL 8 H VAL 8 11.866 6.862 0.289 59 HA VAL 8 HA VAL 8 13.031 6.255 2.819 60 HB VAL 8 HB VAL 8 14.282 8.598 2.779 61 HG11 VAL 8 HG11 VAL 8 15.362 6.524 3.384 62 HG12 VAL 8 HG12 VAL 8 15.497 6.065 1.687 63 HG13 VAL 8 HG13 VAL 8 16.405 7.447 2.302 64 HG21 VAL 8 HG21 VAL 8 14.506 7.707 -0.093 65 HG22 VAL 8 HG22 VAL 8 13.735 9.181 0.496 66 HG23 VAL 8 HG23 VAL 8 15.478 8.971 0.664 67 H GLN 9 H GLN 9 10.452 6.590 2.520 68 HA GLN 9 HA GLN 9 9.982 9.392 3.344 69 HB2 GLN 9 HB2 GLN 9 8.212 7.344 2.071 70 HB3 GLN 9 HB3 GLN 9 7.504 8.638 3.031 71 HG2 GLN 9 HG2 GLN 9 9.319 9.022 0.661 72 HG3 GLN 9 HG3 GLN 9 7.559 9.164 0.640 73 HE21 GLN 9 HE21 GLN 9 10.545 10.616 1.616 74 HE22 GLN 9 HE22 GLN 9 9.893 12.154 2.065 75 H THR 10 H THR 10 8.540 6.195 4.176 76 HA THR 10 HA THR 10 8.438 7.168 6.952 77 HB THR 10 HB THR 10 6.562 5.148 5.703 78 HG1 THR 10 HG1 THR 10 6.037 7.893 6.288 79 HG21 THR 10 HG21 THR 10 6.734 4.971 8.132 80 HG22 THR 10 HG22 THR 10 5.169 5.647 7.681 81 HG23 THR 10 HG23 THR 10 6.441 6.701 8.297 82 H GLU 11 H GLU 11 9.980 6.286 8.069 83 HA GLU 11 HA GLU 11 11.198 3.785 7.421 84 HB2 GLU 11 HB2 GLU 11 12.259 5.899 8.390 85 HB3 GLU 11 HB3 GLU 11 11.617 5.369 9.937 86 HG2 GLU 11 HG2 GLU 11 12.936 3.370 9.856 87 HG3 GLU 11 HG3 GLU 11 13.482 3.755 8.222 88 H GLU 12 H GLU 12 11.360 1.951 8.641 89 HA GLU 12 HA GLU 12 9.909 1.581 11.110 90 HB2 GLU 12 HB2 GLU 12 8.509 1.003 8.833 91 HB3 GLU 12 HB3 GLU 12 9.315 -0.531 9.111 92 HG2 GLU 12 HG2 GLU 12 7.614 0.883 11.153 93 HG3 GLU 12 HG3 GLU 12 7.033 -0.380 10.069 94 H MET 13 H MET 13 10.239 -1.278 11.186 95 HA MET 13 HA MET 13 13.050 -1.285 11.731 96 HB2 MET 13 HB2 MET 13 11.003 -3.488 11.880 97 HB3 MET 13 HB3 MET 13 12.672 -3.633 12.415 98 HG2 MET 13 HG2 MET 13 12.327 -1.900 14.066 99 HG3 MET 13 HG3 MET 13 10.669 -1.677 13.508 100 HE1 MET 13 HE1 MET 13 9.555 -4.531 13.017 101 HE2 MET 13 HE2 MET 13 8.893 -4.927 14.603 102 HE3 MET 13 HE3 MET 13 8.709 -3.299 13.953 103 H GLU 14 H GLU 14 11.022 -2.906 9.277 104 HA GLU 14 HA GLU 14 13.532 -3.743 7.993 105 HB2 GLU 14 HB2 GLU 14 11.887 -5.535 8.477 106 HB3 GLU 14 HB3 GLU 14 10.745 -4.730 7.416 107 HG2 GLU 14 HG2 GLU 14 11.751 -6.529 6.210 108 HG3 GLU 14 HG3 GLU 14 12.352 -5.013 5.541 109 H THR 15 H THR 15 10.983 -1.482 7.674 110 HA THR 15 HA THR 15 10.983 -1.429 4.794 111 HB THR 15 HB THR 15 9.498 0.431 4.912 112 HG1 THR 15 HG1 THR 15 9.100 1.451 6.986 113 HG21 THR 15 HG21 THR 15 7.755 -0.367 6.460 114 HG22 THR 15 HG22 THR 15 8.939 -1.440 7.209 115 HG23 THR 15 HG23 THR 15 8.475 -1.677 5.524 116 HA PRO 16 HA PRO 16 14.370 1.378 4.477 117 HB2 PRO 16 HB2 PRO 16 14.284 1.762 1.818 118 HB3 PRO 16 HB3 PRO 16 14.777 0.218 2.518 119 HG2 PRO 16 HG2 PRO 16 12.306 0.920 1.094 120 HG3 PRO 16 HG3 PRO 16 13.031 -0.669 1.376 121 HD2 PRO 16 HD2 PRO 16 10.853 0.600 2.804 122 HD3 PRO 16 HD3 PRO 16 11.534 -1.038 3.036 123 H ARG 17 H ARG 17 12.084 2.533 5.491 124 HA ARG 17 HA ARG 17 10.733 4.353 5.558 125 HB2 ARG 17 HB2 ARG 17 13.172 5.329 4.178 126 HB3 ARG 17 HB3 ARG 17 11.743 6.343 4.076 127 HG2 ARG 17 HG2 ARG 17 11.613 6.380 6.528 128 HG3 ARG 17 HG3 ARG 17 13.106 5.425 6.593 129 HD2 ARG 17 HD2 ARG 17 14.326 7.187 5.475 130 HD3 ARG 17 HD3 ARG 17 12.842 8.119 5.263 131 HE ARG 17 HE ARG 17 13.785 7.456 7.973 132 HH11 ARG 17 HH11 ARG 17 13.162 9.853 5.494 133 HH12 ARG 17 HH12 ARG 17 13.192 11.191 6.597 134 HH21 ARG 17 HH21 ARG 17 13.804 9.215 9.438 135 HH22 ARG 17 HH22 ARG 17 13.517 10.830 8.843 136 H LEU 18 H LEU 18 9.368 2.832 4.182 137 HA LEU 18 HA LEU 18 8.961 4.097 1.566 138 HB2 LEU 18 HB2 LEU 18 8.827 1.329 2.478 139 HB3 LEU 18 HB3 LEU 18 7.502 1.864 1.474 140 HG LEU 18 HG LEU 18 8.901 2.357 -0.350 141 HD11 LEU 18 HD11 LEU 18 11.218 1.938 1.515 142 HD12 LEU 18 HD12 LEU 18 11.336 2.225 -0.222 143 HD13 LEU 18 HD13 LEU 18 10.677 3.473 0.834 144 HD21 LEU 18 HD21 LEU 18 10.009 0.241 -0.784 145 HD22 LEU 18 HD22 LEU 18 9.904 -0.177 0.925 146 HD23 LEU 18 HD23 LEU 18 8.434 -0.015 -0.036 147 H SER 19 H SER 19 7.360 5.412 1.408 148 HA SER 19 HA SER 19 4.922 4.940 2.975 149 HB2 SER 19 HB2 SER 19 5.887 6.977 3.674 150 HB3 SER 19 HB3 SER 19 6.234 7.469 2.007 151 HG SER 19 HG SER 19 3.838 7.539 3.452 152 H VAL 20 H VAL 20 3.167 4.597 1.960 153 HA VAL 20 HA VAL 20 3.141 4.592 -0.965 154 HB VAL 20 HB VAL 20 2.077 2.616 -0.910 155 HG11 VAL 20 HG11 VAL 20 2.513 1.230 1.036 156 HG12 VAL 20 HG12 VAL 20 3.904 2.244 0.657 157 HG13 VAL 20 HG13 VAL 20 2.844 2.669 2.000 158 HG21 VAL 20 HG21 VAL 20 -0.033 3.590 -0.188 159 HG22 VAL 20 HG22 VAL 20 0.232 2.024 0.581 160 HG23 VAL 20 HG23 VAL 20 0.494 3.511 1.494 161 H ILE 21 H ILE 21 1.221 5.163 -2.042 162 HA ILE 21 HA ILE 21 -0.299 7.292 -0.712 163 HB ILE 21 HB ILE 21 -0.469 6.458 -3.602 164 HG12 ILE 21 HG12 ILE 21 1.527 8.402 -2.433 165 HG13 ILE 21 HG13 ILE 21 1.914 6.761 -2.958 166 HG21 ILE 21 HG21 ILE 21 -2.141 8.027 -2.837 167 HG22 ILE 21 HG22 ILE 21 -0.886 9.087 -2.197 168 HG23 ILE 21 HG23 ILE 21 -1.016 8.825 -3.936 169 HD11 ILE 21 HD11 ILE 21 2.544 8.366 -4.650 170 HD12 ILE 21 HD12 ILE 21 1.222 7.363 -5.240 171 HD13 ILE 21 HD13 ILE 21 0.904 9.009 -4.695 172 H VAL 22 H VAL 22 -2.118 6.572 0.285 173 HA VAL 22 HA VAL 22 -3.741 4.567 -1.147 174 HB VAL 22 HB VAL 22 -3.905 5.210 1.801 175 HG11 VAL 22 HG11 VAL 22 -5.157 3.021 0.150 176 HG12 VAL 22 HG12 VAL 22 -5.309 3.215 1.896 177 HG13 VAL 22 HG13 VAL 22 -5.989 4.428 0.812 178 HG21 VAL 22 HG21 VAL 22 -2.624 2.858 0.416 179 HG22 VAL 22 HG22 VAL 22 -1.782 4.130 1.301 180 HG23 VAL 22 HG23 VAL 22 -2.855 3.024 2.156 181 H THR 23 H THR 23 -5.421 5.422 -2.122 182 HA THR 23 HA THR 23 -6.741 7.675 -0.801 183 HB THR 23 HB THR 23 -5.312 8.677 -2.458 184 HG1 THR 23 HG1 THR 23 -6.929 9.749 -3.699 185 HG21 THR 23 HG21 THR 23 -5.517 8.198 -4.840 186 HG22 THR 23 HG22 THR 23 -6.685 6.923 -4.489 187 HG23 THR 23 HG23 THR 23 -5.015 6.764 -3.943 188 H HIS 24 H HIS 24 -8.876 7.981 -1.260 189 HA HIS 24 HA HIS 24 -10.245 6.049 -3.012 190 HB2 HIS 24 HB2 HIS 24 -10.872 5.308 -0.834 191 HB3 HIS 24 HB3 HIS 24 -10.955 6.949 -0.212 192 HD1 HIS 24 HD1 HIS 24 -13.287 7.209 0.515 193 HD2 HIS 24 HD2 HIS 24 -13.011 5.460 -3.250 194 HE1 HIS 24 HE1 HIS 24 -15.651 7.045 -0.334 195 HE2 HIS 24 HE2 HIS 24 -15.417 6.247 -2.718 196 H SER 25 H SER 25 -10.815 7.330 -4.683 197 HA SER 25 HA SER 25 -11.464 9.115 -5.942 198 HB2 SER 25 HB2 SER 25 -13.482 9.137 -4.519 199 HB3 SER 25 HB3 SER 25 -12.650 10.161 -3.355 200 HG SER 25 HG SER 25 -13.798 10.806 -5.786 201 H ASN 26 H ASN 26 -10.393 10.253 -2.773 202 HA ASN 26 HA ASN 26 -8.150 11.715 -3.764 203 HB2 ASN 26 HB2 ASN 26 -9.850 13.367 -4.358 204 HB3 ASN 26 HB3 ASN 26 -10.556 13.261 -2.749 205 HD21 ASN 26 HD21 ASN 26 -7.932 14.466 -4.658 206 HD22 ASN 26 HD22 ASN 26 -7.282 15.537 -3.464 207 H GLU 27 H GLU 27 -10.458 10.962 -1.330 208 HA GLU 27 HA GLU 27 -9.436 11.605 1.084 209 HB2 GLU 27 HB2 GLU 27 -11.515 10.422 0.554 210 HB3 GLU 27 HB3 GLU 27 -10.610 8.968 0.209 211 HG2 GLU 27 HG2 GLU 27 -10.042 8.709 2.506 212 HG3 GLU 27 HG3 GLU 27 -10.712 10.298 2.902 213 H ARG 28 H ARG 28 -7.368 11.521 1.683 214 HA ARG 28 HA ARG 28 -5.698 9.300 0.688 215 HB2 ARG 28 HB2 ARG 28 -5.245 11.459 -0.402 216 HB3 ARG 28 HB3 ARG 28 -4.920 12.179 1.168 217 HG2 ARG 28 HG2 ARG 28 -2.814 11.730 0.255 218 HG3 ARG 28 HG3 ARG 28 -3.087 10.432 1.419 219 HD2 ARG 28 HD2 ARG 28 -2.146 9.598 -0.704 220 HD3 ARG 28 HD3 ARG 28 -3.745 8.929 -0.365 221 HE ARG 28 HE ARG 28 -4.575 10.026 -2.202 222 HH11 ARG 28 HH11 ARG 28 -1.385 11.265 -1.468 223 HH12 ARG 28 HH12 ARG 28 -1.296 12.251 -2.902 224 HH21 ARG 28 HH21 ARG 28 -4.467 11.298 -4.097 225 HH22 ARG 28 HH22 ARG 28 -3.056 12.278 -4.398 226 H TYR 29 H TYR 29 -4.790 8.083 2.159 227 HA TYR 29 HA TYR 29 -3.703 9.397 4.552 228 HB2 TYR 29 HB2 TYR 29 -5.631 7.721 4.992 229 HB3 TYR 29 HB3 TYR 29 -4.482 6.477 4.517 230 HD1 TYR 29 HD1 TYR 29 -2.479 6.048 5.893 231 HD2 TYR 29 HD2 TYR 29 -5.472 8.804 7.130 232 HE1 TYR 29 HE1 TYR 29 -1.602 5.958 8.187 233 HE2 TYR 29 HE2 TYR 29 -4.599 8.725 9.427 234 HH TYR 29 HH TYR 29 -3.240 6.858 10.798 235 H ASP 30 H ASP 30 -1.504 9.172 4.708 236 HA ASP 30 HA ASP 30 -0.144 7.633 2.676 237 HB2 ASP 30 HB2 ASP 30 0.773 9.450 4.884 238 HB3 ASP 30 HB3 ASP 30 1.924 8.360 4.121 239 H LEU 31 H LEU 31 0.452 5.633 2.833 240 HA LEU 31 HA LEU 31 0.241 4.282 5.441 241 HB2 LEU 31 HB2 LEU 31 -1.235 3.872 3.111 242 HB3 LEU 31 HB3 LEU 31 -0.051 2.576 3.104 243 HG LEU 31 HG LEU 31 -2.322 2.088 4.183 244 HD11 LEU 31 HD11 LEU 31 -0.332 0.669 4.498 245 HD12 LEU 31 HD12 LEU 31 0.203 1.699 5.825 246 HD13 LEU 31 HD13 LEU 31 -1.285 0.768 5.977 247 HD21 LEU 31 HD21 LEU 31 -2.489 4.215 5.405 248 HD22 LEU 31 HD22 LEU 31 -2.560 2.836 6.501 249 HD23 LEU 31 HD23 LEU 31 -1.078 3.782 6.368 250 H LEU 32 H LEU 32 1.732 2.355 5.649 251 HA LEU 32 HA LEU 32 4.174 2.979 4.131 252 HB2 LEU 32 HB2 LEU 32 4.945 3.565 6.144 253 HB3 LEU 32 HB3 LEU 32 3.693 2.671 6.999 254 HG LEU 32 HG LEU 32 5.936 1.123 5.765 255 HD11 LEU 32 HD11 LEU 32 7.265 1.450 7.814 256 HD12 LEU 32 HD12 LEU 32 7.095 2.940 6.885 257 HD13 LEU 32 HD13 LEU 32 6.125 2.691 8.338 258 HD21 LEU 32 HD21 LEU 32 5.569 -0.286 7.726 259 HD22 LEU 32 HD22 LEU 32 4.376 0.859 8.337 260 HD23 LEU 32 HD23 LEU 32 4.061 -0.031 6.847 261 H VAL 33 H VAL 33 5.371 1.372 3.279 262 HA VAL 33 HA VAL 33 3.993 -0.960 2.485 263 HB VAL 33 HB VAL 33 6.634 0.253 1.896 264 HG11 VAL 33 HG11 VAL 33 7.702 -1.763 1.071 265 HG12 VAL 33 HG12 VAL 33 7.449 -1.875 2.812 266 HG13 VAL 33 HG13 VAL 33 6.388 -2.750 1.708 267 HG21 VAL 33 HG21 VAL 33 4.715 0.298 0.388 268 HG22 VAL 33 HG22 VAL 33 6.091 -0.527 -0.341 269 HG23 VAL 33 HG23 VAL 33 4.741 -1.463 0.298 270 H THR 34 H THR 34 4.582 -3.209 2.914 271 HA THR 34 HA THR 34 4.709 -3.372 5.795 272 HB THR 34 HB THR 34 4.134 -5.554 3.791 273 HG1 THR 34 HG1 THR 34 2.713 -3.533 3.986 274 HG21 THR 34 HG21 THR 34 3.054 -6.685 5.680 275 HG22 THR 34 HG22 THR 34 3.535 -5.368 6.753 276 HG23 THR 34 HG23 THR 34 4.762 -6.396 6.009 277 HA PRO 35 HA PRO 35 8.960 -4.545 5.800 278 HB2 PRO 35 HB2 PRO 35 9.159 -4.791 8.480 279 HB3 PRO 35 HB3 PRO 35 9.096 -3.218 7.682 280 HG2 PRO 35 HG2 PRO 35 6.886 -4.741 9.019 281 HG3 PRO 35 HG3 PRO 35 7.295 -3.019 9.152 282 HD2 PRO 35 HD2 PRO 35 5.314 -3.902 7.543 283 HD3 PRO 35 HD3 PRO 35 6.316 -2.497 7.128 284 H GLN 36 H GLN 36 10.192 -6.348 6.505 285 HA GLN 36 HA GLN 36 10.622 -8.510 7.109 286 HB2 GLN 36 HB2 GLN 36 7.626 -8.885 7.288 287 HB3 GLN 36 HB3 GLN 36 8.810 -10.149 7.584 288 HG2 GLN 36 HG2 GLN 36 9.707 -8.898 9.464 289 HG3 GLN 36 HG3 GLN 36 8.563 -7.592 9.152 290 HE21 GLN 36 HE21 GLN 36 6.419 -9.449 8.450 291 HE22 GLN 36 HE22 GLN 36 5.859 -10.123 9.941 292 H GLN 37 H GLN 37 10.048 -7.231 4.492 293 HA GLN 37 HA GLN 37 9.892 -9.749 2.986 294 HB2 GLN 37 HB2 GLN 37 8.504 -7.335 2.448 295 HB3 GLN 37 HB3 GLN 37 9.820 -7.424 1.285 296 HG2 GLN 37 HG2 GLN 37 7.679 -9.485 1.723 297 HG3 GLN 37 HG3 GLN 37 7.907 -8.449 0.311 298 HE21 GLN 37 HE21 GLN 37 9.050 -11.273 2.021 299 HE22 GLN 37 HE22 GLN 37 10.080 -11.860 0.759 300 H GLY 38 H GLY 38 11.005 -6.952 1.420 301 HA2 GLY 38 HA2 GLY 38 13.830 -7.530 1.975 302 HA3 GLY 38 HA3 GLY 38 13.267 -7.490 0.299 303 H ASN 39 H ASN 39 11.891 -5.611 2.789 304 HA ASN 39 HA ASN 39 11.266 -3.491 2.945 305 HB2 ASN 39 HB2 ASN 39 13.020 -1.744 2.903 306 HB3 ASN 39 HB3 ASN 39 13.370 -3.131 3.931 307 HD21 ASN 39 HD21 ASN 39 14.280 -1.402 1.044 308 HD22 ASN 39 HD22 ASN 39 15.810 -2.179 0.829 309 H SER 40 H SER 40 12.935 -4.002 -0.100 310 HA SER 40 HA SER 40 11.643 -1.673 -1.252 311 HB2 SER 40 HB2 SER 40 13.934 -2.121 -1.905 312 HB3 SER 40 HB3 SER 40 13.500 -3.750 -2.428 313 HG SER 40 HG SER 40 11.925 -1.959 -3.655 314 H GLU 41 H GLU 41 11.137 -5.078 -1.001 315 HA GLU 41 HA GLU 41 9.164 -4.978 -3.174 316 HB2 GLU 41 HB2 GLU 41 10.891 -7.342 -2.379 317 HB3 GLU 41 HB3 GLU 41 9.674 -7.335 -3.645 318 HG2 GLU 41 HG2 GLU 41 10.978 -5.858 -4.990 319 HG3 GLU 41 HG3 GLU 41 12.134 -5.606 -3.683 320 HA PRO 42 HA PRO 42 7.192 -5.600 0.875 321 HB2 PRO 42 HB2 PRO 42 4.775 -4.973 -0.695 322 HB3 PRO 42 HB3 PRO 42 5.395 -4.212 0.772 323 HG2 PRO 42 HG2 PRO 42 5.528 -2.988 -1.600 324 HG3 PRO 42 HG3 PRO 42 6.812 -2.815 -0.390 325 HD2 PRO 42 HD2 PRO 42 6.747 -4.488 -2.861 326 HD3 PRO 42 HD3 PRO 42 8.089 -3.557 -2.161 327 H VAL 43 H VAL 43 5.417 -6.970 1.656 328 HA VAL 43 HA VAL 43 5.433 -9.516 0.316 329 HB VAL 43 HB VAL 43 4.031 -10.305 2.160 330 HG11 VAL 43 HG11 VAL 43 6.360 -8.654 3.114 331 HG12 VAL 43 HG12 VAL 43 5.606 -9.982 3.994 332 HG13 VAL 43 HG13 VAL 43 6.439 -10.295 2.473 333 HG21 VAL 43 HG21 VAL 43 2.692 -8.300 2.508 334 HG22 VAL 43 HG22 VAL 43 3.436 -8.833 4.016 335 HG23 VAL 43 HG23 VAL 43 4.106 -7.456 3.139 336 H VAL 44 H VAL 44 3.386 -10.671 -0.263 337 HA VAL 44 HA VAL 44 1.840 -9.221 -2.063 338 HB VAL 44 HB VAL 44 0.195 -11.105 -1.960 339 HG11 VAL 44 HG11 VAL 44 2.103 -11.213 -3.451 340 HG12 VAL 44 HG12 VAL 44 3.103 -11.872 -2.156 341 HG13 VAL 44 HG13 VAL 44 1.752 -12.809 -2.791 342 HG21 VAL 44 HG21 VAL 44 0.765 -13.073 -0.596 343 HG22 VAL 44 HG22 VAL 44 2.048 -12.148 0.181 344 HG23 VAL 44 HG23 VAL 44 0.363 -11.671 0.394 345 H GLN 45 H GLN 45 1.465 -9.783 1.273 346 HA GLN 45 HA GLN 45 -1.213 -9.054 1.685 347 HB2 GLN 45 HB2 GLN 45 1.120 -8.857 3.597 348 HB3 GLN 45 HB3 GLN 45 -0.582 -8.858 4.037 349 HG2 GLN 45 HG2 GLN 45 -0.836 -11.120 3.265 350 HG3 GLN 45 HG3 GLN 45 0.820 -11.134 2.659 351 HE21 GLN 45 HE21 GLN 45 2.518 -11.305 4.099 352 HE22 GLN 45 HE22 GLN 45 2.302 -11.773 5.754 353 H ASP 46 H ASP 46 1.662 -7.186 1.155 354 HA ASP 46 HA ASP 46 1.112 -4.985 2.821 355 HB2 ASP 46 HB2 ASP 46 3.316 -5.016 2.206 356 HB3 ASP 46 HB3 ASP 46 2.987 -5.533 0.559 357 H LEU 47 H LEU 47 0.349 -5.591 -0.597 358 HA LEU 47 HA LEU 47 -0.388 -2.988 -1.151 359 HB2 LEU 47 HB2 LEU 47 -1.373 -3.905 -3.107 360 HB3 LEU 47 HB3 LEU 47 0.096 -4.761 -2.797 361 HG LEU 47 HG LEU 47 -1.681 -6.421 -1.614 362 HD11 LEU 47 HD11 LEU 47 -3.099 -5.222 -3.987 363 HD12 LEU 47 HD12 LEU 47 -3.602 -6.661 -3.100 364 HD13 LEU 47 HD13 LEU 47 -3.601 -5.089 -2.302 365 HD21 LEU 47 HD21 LEU 47 0.070 -7.028 -3.201 366 HD22 LEU 47 HD22 LEU 47 -1.462 -7.793 -3.620 367 HD23 LEU 47 HD23 LEU 47 -0.902 -6.389 -4.526 368 H ALA 48 H ALA 48 -2.339 -5.788 -0.123 369 HA ALA 48 HA ALA 48 -4.803 -4.434 -0.002 370 HB1 ALA 48 HB1 ALA 48 -5.578 -6.331 1.299 371 HB2 ALA 48 HB2 ALA 48 -4.594 -6.883 -0.056 372 HB3 ALA 48 HB3 ALA 48 -3.915 -6.849 1.572 373 H GLN 49 H GLN 49 -2.209 -4.883 2.269 374 HA GLN 49 HA GLN 49 -3.504 -4.136 4.627 375 HB2 GLN 49 HB2 GLN 49 -1.279 -5.184 4.577 376 HB3 GLN 49 HB3 GLN 49 -0.610 -3.759 3.823 377 HG2 GLN 49 HG2 GLN 49 0.021 -3.467 5.992 378 HG3 GLN 49 HG3 GLN 49 -1.459 -2.521 5.904 379 HE21 GLN 49 HE21 GLN 49 -1.738 -2.689 8.153 380 HE22 GLN 49 HE22 GLN 49 -2.331 -4.152 8.870 381 H LEU 50 H LEU 50 -1.764 -2.350 2.218 382 HA LEU 50 HA LEU 50 -1.496 0.084 3.548 383 HB2 LEU 50 HB2 LEU 50 -1.759 -0.561 0.613 384 HB3 LEU 50 HB3 LEU 50 -1.211 0.983 1.244 385 HG LEU 50 HG LEU 50 0.251 -1.625 1.728 386 HD11 LEU 50 HD11 LEU 50 0.342 -0.987 -0.617 387 HD12 LEU 50 HD12 LEU 50 0.878 0.629 -0.158 388 HD13 LEU 50 HD13 LEU 50 1.903 -0.766 0.173 389 HD21 LEU 50 HD21 LEU 50 2.018 -0.199 2.562 390 HD22 LEU 50 HD22 LEU 50 0.994 1.217 2.325 391 HD23 LEU 50 HD23 LEU 50 0.539 -0.012 3.506 392 H VAL 51 H VAL 51 -3.909 -0.774 1.085 393 HA VAL 51 HA VAL 51 -5.482 1.585 1.254 394 HB VAL 51 HB VAL 51 -5.459 -0.919 -0.096 395 HG11 VAL 51 HG11 VAL 51 -7.424 -1.489 1.215 396 HG12 VAL 51 HG12 VAL 51 -8.182 0.036 0.758 397 HG13 VAL 51 HG13 VAL 51 -7.860 -1.189 -0.467 398 HG21 VAL 51 HG21 VAL 51 -6.796 1.716 -0.642 399 HG22 VAL 51 HG22 VAL 51 -5.186 1.217 -1.157 400 HG23 VAL 51 HG23 VAL 51 -6.609 0.410 -1.812 401 H GLU 52 H GLU 52 -5.515 -1.480 2.986 402 HA GLU 52 HA GLU 52 -7.994 -1.108 4.330 403 HB2 GLU 52 HB2 GLU 52 -7.340 -3.334 4.149 404 HB3 GLU 52 HB3 GLU 52 -5.671 -2.990 4.575 405 HG2 GLU 52 HG2 GLU 52 -6.219 -2.776 6.875 406 HG3 GLU 52 HG3 GLU 52 -7.947 -2.810 6.528 407 H GLU 53 H GLU 53 -4.600 -0.647 5.253 408 HA GLU 53 HA GLU 53 -5.194 -0.093 7.992 409 HB2 GLU 53 HB2 GLU 53 -3.089 -1.113 7.428 410 HB3 GLU 53 HB3 GLU 53 -2.671 0.223 6.367 411 HG2 GLU 53 HG2 GLU 53 -2.425 1.709 8.215 412 HG3 GLU 53 HG3 GLU 53 -3.055 0.497 9.337 413 H ALA 54 H ALA 54 -5.015 1.815 5.128 414 HA ALA 54 HA ALA 54 -4.226 4.275 6.127 415 HB1 ALA 54 HB1 ALA 54 -6.328 3.767 4.027 416 HB2 ALA 54 HB2 ALA 54 -5.419 5.261 4.255 417 HB3 ALA 54 HB3 ALA 54 -4.586 3.789 3.749 418 H THR 55 H THR 55 -7.525 2.935 5.995 419 HA THR 55 HA THR 55 -8.300 5.031 7.907 420 HB THR 55 HB THR 55 -10.644 3.976 6.840 421 HG1 THR 55 HG1 THR 55 -10.055 3.236 4.945 422 HG21 THR 55 HG21 THR 55 -10.217 6.330 7.388 423 HG22 THR 55 HG22 THR 55 -10.823 6.160 5.741 424 HG23 THR 55 HG23 THR 55 -9.106 6.446 6.024 425 H GLY 56 H GLY 56 -7.614 1.781 7.785 426 HA2 GLY 56 HA2 GLY 56 -7.833 0.259 9.551 427 HA3 GLY 56 HA3 GLY 56 -9.013 1.326 10.296 428 H VAL 57 H VAL 57 -9.268 0.415 6.973 429 HA VAL 57 HA VAL 57 -11.976 -0.512 7.500 430 HB VAL 57 HB VAL 57 -10.641 -0.145 4.827 431 HG11 VAL 57 HG11 VAL 57 -12.763 -1.316 4.789 432 HG12 VAL 57 HG12 VAL 57 -13.521 0.004 5.680 433 HG13 VAL 57 HG13 VAL 57 -12.912 0.277 4.046 434 HG21 VAL 57 HG21 VAL 57 -12.011 1.926 6.515 435 HG22 VAL 57 HG22 VAL 57 -10.313 1.900 6.042 436 HG23 VAL 57 HG23 VAL 57 -11.565 2.132 4.821 437 HA PRO 58 HA PRO 58 -10.931 -4.837 6.806 438 HB2 PRO 58 HB2 PRO 58 -13.429 -5.719 6.273 439 HB3 PRO 58 HB3 PRO 58 -12.893 -5.324 7.913 440 HG2 PRO 58 HG2 PRO 58 -14.407 -3.602 5.968 441 HG3 PRO 58 HG3 PRO 58 -14.792 -3.942 7.673 442 HD2 PRO 58 HD2 PRO 58 -13.554 -1.685 6.988 443 HD3 PRO 58 HD3 PRO 58 -13.063 -2.570 8.450 444 H LEU 59 H LEU 59 -10.797 -6.239 5.134 445 HA LEU 59 HA LEU 59 -10.261 -5.346 2.624 446 HB2 LEU 59 HB2 LEU 59 -11.197 -8.109 3.370 447 HB3 LEU 59 HB3 LEU 59 -10.325 -7.684 1.909 448 HG LEU 59 HG LEU 59 -9.235 -7.414 4.713 449 HD11 LEU 59 HD11 LEU 59 -9.491 -9.741 4.146 450 HD12 LEU 59 HD12 LEU 59 -8.717 -9.480 2.582 451 HD13 LEU 59 HD13 LEU 59 -7.784 -9.301 4.068 452 HD21 LEU 59 HD21 LEU 59 -8.281 -5.786 3.173 453 HD22 LEU 59 HD22 LEU 59 -7.096 -7.023 3.593 454 HD23 LEU 59 HD23 LEU 59 -7.906 -7.073 2.027 455 HA PRO 60 HA PRO 60 -14.581 -6.826 0.967 456 HB2 PRO 60 HB2 PRO 60 -16.408 -6.391 3.224 457 HB3 PRO 60 HB3 PRO 60 -16.272 -7.775 2.136 458 HG2 PRO 60 HG2 PRO 60 -15.476 -7.946 4.665 459 HG3 PRO 60 HG3 PRO 60 -14.564 -8.746 3.373 460 HD2 PRO 60 HD2 PRO 60 -14.015 -6.125 4.733 461 HD3 PRO 60 HD3 PRO 60 -12.892 -7.458 4.400 462 H PHE 61 H PHE 61 -14.070 -4.132 3.066 463 HA PHE 61 HA PHE 61 -16.318 -2.626 2.000 464 HB2 PHE 61 HB2 PHE 61 -14.409 -2.299 4.231 465 HB3 PHE 61 HB3 PHE 61 -15.054 -0.826 3.515 466 HD1 PHE 61 HD1 PHE 61 -16.203 -4.139 4.785 467 HD2 PHE 61 HD2 PHE 61 -17.024 0.017 4.376 468 HE1 PHE 61 HE1 PHE 61 -18.246 -4.414 6.128 469 HE2 PHE 61 HE2 PHE 61 -19.067 -0.251 5.717 470 HZ PHE 61 HZ PHE 61 -19.677 -2.452 6.605 471 H GLN 62 H GLN 62 -12.957 -2.969 1.377 472 HA GLN 62 HA GLN 62 -13.106 -0.570 -0.308 473 HB2 GLN 62 HB2 GLN 62 -10.654 -0.444 -0.189 474 HB3 GLN 62 HB3 GLN 62 -11.395 -0.170 1.358 475 HG2 GLN 62 HG2 GLN 62 -10.849 -2.944 1.130 476 HG3 GLN 62 HG3 GLN 62 -9.416 -2.057 0.600 477 HE21 GLN 62 HE21 GLN 62 -9.818 -3.686 2.964 478 HE22 GLN 62 HE22 GLN 62 -9.492 -2.662 4.322 479 H LYS 63 H LYS 63 -12.664 -0.766 -2.415 480 HA LYS 63 HA LYS 63 -11.649 -3.351 -3.347 481 HB2 LYS 63 HB2 LYS 63 -13.790 -2.453 -4.346 482 HB3 LYS 63 HB3 LYS 63 -12.854 -1.115 -4.998 483 HG2 LYS 63 HG2 LYS 63 -11.469 -2.761 -6.236 484 HG3 LYS 63 HG3 LYS 63 -12.553 -4.033 -5.673 485 HD2 LYS 63 HD2 LYS 63 -14.441 -2.760 -6.730 486 HD3 LYS 63 HD3 LYS 63 -13.231 -1.693 -7.448 487 HE2 LYS 63 HE2 LYS 63 -13.844 -3.379 -9.056 488 HE3 LYS 63 HE3 LYS 63 -12.190 -3.669 -8.518 489 HZ1 LYS 63 HZ1 LYS 63 -13.557 -5.704 -8.641 490 HZ2 LYS 63 HZ2 LYS 63 -14.574 -5.077 -7.438 491 HZ3 LYS 63 HZ3 LYS 63 -12.948 -5.415 -7.087 492 H LEU 64 H LEU 64 -9.490 -3.082 -2.936 493 HA LEU 64 HA LEU 64 -8.141 -0.634 -3.567 494 HB2 LEU 64 HB2 LEU 64 -7.359 -1.815 -1.649 495 HB3 LEU 64 HB3 LEU 64 -7.264 -3.325 -2.544 496 HG LEU 64 HG LEU 64 -5.471 -0.937 -2.946 497 HD11 LEU 64 HD11 LEU 64 -5.335 -1.837 -0.715 498 HD12 LEU 64 HD12 LEU 64 -5.067 -3.449 -1.377 499 HD13 LEU 64 HD13 LEU 64 -3.868 -2.182 -1.633 500 HD21 LEU 64 HD21 LEU 64 -5.456 -2.450 -4.886 501 HD22 LEU 64 HD22 LEU 64 -3.929 -2.516 -4.005 502 HD23 LEU 64 HD23 LEU 64 -5.113 -3.807 -3.813 503 H ILE 65 H ILE 65 -7.611 -0.102 -5.463 504 HA ILE 65 HA ILE 65 -6.496 -2.105 -7.327 505 HB ILE 65 HB ILE 65 -8.080 0.385 -7.925 506 HG12 ILE 65 HG12 ILE 65 -8.895 -2.526 -8.197 507 HG13 ILE 65 HG13 ILE 65 -9.510 -1.383 -7.012 508 HG21 ILE 65 HG21 ILE 65 -7.005 -1.740 -9.791 509 HG22 ILE 65 HG22 ILE 65 -8.046 -0.401 -10.272 510 HG23 ILE 65 HG23 ILE 65 -6.429 -0.080 -9.649 511 HD11 ILE 65 HD11 ILE 65 -11.081 -1.741 -8.836 512 HD12 ILE 65 HD12 ILE 65 -10.524 -0.068 -8.776 513 HD13 ILE 65 HD13 ILE 65 -9.873 -1.171 -9.989 514 H PHE 66 H PHE 66 -4.345 -1.659 -7.078 515 HA PHE 66 HA PHE 66 -3.457 0.541 -8.558 516 HB2 PHE 66 HB2 PHE 66 -3.608 1.146 -5.840 517 HB3 PHE 66 HB3 PHE 66 -1.899 0.925 -6.224 518 HD1 PHE 66 HD1 PHE 66 -2.012 1.776 -9.116 519 HD2 PHE 66 HD2 PHE 66 -3.663 3.513 -5.600 520 HE1 PHE 66 HE1 PHE 66 -1.960 3.990 -10.189 521 HE2 PHE 66 HE2 PHE 66 -3.613 5.728 -6.666 522 HZ PHE 66 HZ PHE 66 -2.760 5.969 -8.965 523 H LYS 67 H LYS 67 -1.317 0.337 -9.245 524 HA LYS 67 HA LYS 67 0.595 -0.704 -9.784 525 HB2 LYS 67 HB2 LYS 67 1.477 -2.447 -7.942 526 HB3 LYS 67 HB3 LYS 67 1.734 -0.731 -7.844 527 HG2 LYS 67 HG2 LYS 67 0.099 -0.481 -6.140 528 HG3 LYS 67 HG3 LYS 67 -0.529 -2.130 -6.353 529 HD2 LYS 67 HD2 LYS 67 1.778 -2.949 -5.680 530 HD3 LYS 67 HD3 LYS 67 2.215 -1.284 -5.316 531 HE2 LYS 67 HE2 LYS 67 0.039 -1.425 -3.806 532 HE3 LYS 67 HE3 LYS 67 0.398 -3.151 -3.866 533 HZ1 LYS 67 HZ1 LYS 67 2.188 -1.002 -2.853 534 HZ2 LYS 67 HZ2 LYS 67 2.680 -2.602 -3.075 535 HZ3 LYS 67 HZ3 LYS 67 1.469 -2.242 -1.952 536 H GLY 68 H GLY 68 -1.840 -1.756 -10.645 537 HA2 GLY 68 HA2 GLY 68 -2.687 -3.575 -11.746 538 HA3 GLY 68 HA3 GLY 68 -1.062 -4.250 -11.719 539 H LYS 69 H LYS 69 -2.231 -3.382 -8.726 540 HA LYS 69 HA LYS 69 -2.796 -6.192 -8.098 541 HB2 LYS 69 HB2 LYS 69 -1.353 -4.084 -6.500 542 HB3 LYS 69 HB3 LYS 69 -1.870 -5.628 -5.827 543 HG2 LYS 69 HG2 LYS 69 -0.505 -6.817 -7.420 544 HG3 LYS 69 HG3 LYS 69 -0.036 -5.300 -8.185 545 HD2 LYS 69 HD2 LYS 69 1.459 -4.803 -6.571 546 HD3 LYS 69 HD3 LYS 69 0.465 -5.506 -5.287 547 HE2 LYS 69 HE2 LYS 69 2.666 -6.690 -5.922 548 HE3 LYS 69 HE3 LYS 69 1.213 -7.661 -5.714 549 HZ1 LYS 69 HZ1 LYS 69 2.504 -8.243 -7.707 550 HZ2 LYS 69 HZ2 LYS 69 2.224 -6.696 -8.332 551 HZ3 LYS 69 HZ3 LYS 69 0.926 -7.750 -8.074 552 H SER 70 H SER 70 -4.561 -6.659 -7.095 553 HA SER 70 HA SER 70 -6.152 -4.477 -5.966 554 HB2 SER 70 HB2 SER 70 -8.145 -5.957 -6.513 555 HB3 SER 70 HB3 SER 70 -7.285 -5.330 -7.921 556 HG SER 70 HG SER 70 -6.786 -7.882 -6.781 557 H LEU 71 H LEU 71 -7.086 -4.834 -3.942 558 HA LEU 71 HA LEU 71 -5.544 -6.600 -2.300 559 HB2 LEU 71 HB2 LEU 71 -6.494 -5.677 -0.469 560 HB3 LEU 71 HB3 LEU 71 -6.839 -4.392 -1.635 561 HG LEU 71 HG LEU 71 -8.795 -6.553 -0.818 562 HD11 LEU 71 HD11 LEU 71 -8.244 -5.129 1.070 563 HD12 LEU 71 HD12 LEU 71 -8.589 -3.694 0.104 564 HD13 LEU 71 HD13 LEU 71 -9.885 -4.819 0.504 565 HD21 LEU 71 HD21 LEU 71 -9.185 -3.999 -2.374 566 HD22 LEU 71 HD22 LEU 71 -9.255 -5.637 -3.021 567 HD23 LEU 71 HD23 LEU 71 -10.466 -5.098 -1.859 568 H LYS 72 H LYS 72 -6.117 -8.502 -1.198 569 HA LYS 72 HA LYS 72 -8.803 -9.443 -1.513 570 HB2 LYS 72 HB2 LYS 72 -7.285 -10.107 -3.599 571 HB3 LYS 72 HB3 LYS 72 -6.753 -11.373 -2.499 572 HG2 LYS 72 HG2 LYS 72 -9.011 -12.176 -2.230 573 HG3 LYS 72 HG3 LYS 72 -9.626 -10.869 -3.242 574 HD2 LYS 72 HD2 LYS 72 -8.329 -11.747 -5.135 575 HD3 LYS 72 HD3 LYS 72 -7.755 -13.069 -4.117 576 HE2 LYS 72 HE2 LYS 72 -10.055 -13.841 -3.815 577 HE3 LYS 72 HE3 LYS 72 -10.637 -12.505 -4.805 578 HZ1 LYS 72 HZ1 LYS 72 -8.838 -14.679 -5.738 579 HZ2 LYS 72 HZ2 LYS 72 -9.426 -13.402 -6.686 580 HZ3 LYS 72 HZ3 LYS 72 -10.500 -14.562 -6.068 581 H GLU 73 H GLU 73 -5.537 -10.606 -0.658 582 HA GLU 73 HA GLU 73 -6.172 -11.578 1.902 583 HB2 GLU 73 HB2 GLU 73 -7.665 -13.105 0.639 584 HB3 GLU 73 HB3 GLU 73 -6.299 -13.641 -0.322 585 HG2 GLU 73 HG2 GLU 73 -6.711 -15.322 1.269 586 HG3 GLU 73 HG3 GLU 73 -5.261 -14.476 1.806 587 H MET 74 H MET 74 -4.595 -13.286 -0.730 588 HA MET 74 HA MET 74 -1.979 -12.241 0.025 589 HB2 MET 74 HB2 MET 74 -0.994 -14.533 -0.348 590 HB3 MET 74 HB3 MET 74 -1.959 -14.375 1.111 591 HG2 MET 74 HG2 MET 74 -3.852 -15.434 -0.073 592 HG3 MET 74 HG3 MET 74 -2.806 -15.667 -1.472 593 HE1 MET 74 HE1 MET 74 -3.159 -19.298 -0.059 594 HE2 MET 74 HE2 MET 74 -4.403 -18.050 -0.048 595 HE3 MET 74 HE3 MET 74 -3.366 -18.252 -1.461 596 H GLU 75 H GLU 75 -1.954 -10.943 -1.709 597 HA GLU 75 HA GLU 75 -3.221 -11.759 -4.140 598 HB2 GLU 75 HB2 GLU 75 -1.912 -9.187 -3.298 599 HB3 GLU 75 HB3 GLU 75 -2.920 -9.386 -4.725 600 HG2 GLU 75 HG2 GLU 75 -4.381 -8.450 -3.237 601 HG3 GLU 75 HG3 GLU 75 -4.718 -10.167 -3.046 602 H THR 76 H THR 76 -1.540 -9.799 -5.656 603 HA THR 76 HA THR 76 -0.054 -11.872 -6.973 604 HB THR 76 HB THR 76 0.566 -9.875 -8.530 605 HG1 THR 76 HG1 THR 76 -1.715 -8.585 -7.914 606 HG21 THR 76 HG21 THR 76 -0.992 -11.678 -9.088 607 HG22 THR 76 HG22 THR 76 -1.588 -10.123 -9.667 608 HG23 THR 76 HG23 THR 76 -2.277 -10.845 -8.213 609 HA PRO 77 HA PRO 77 4.157 -12.086 -6.029 610 HB2 PRO 77 HB2 PRO 77 4.520 -10.379 -8.462 611 HB3 PRO 77 HB3 PRO 77 5.496 -11.741 -7.888 612 HG2 PRO 77 HG2 PRO 77 3.559 -12.064 -9.740 613 HG3 PRO 77 HG3 PRO 77 3.927 -13.310 -8.535 614 HD2 PRO 77 HD2 PRO 77 1.542 -11.648 -8.785 615 HD3 PRO 77 HD3 PRO 77 1.811 -13.069 -7.758 616 H LEU 78 H LEU 78 5.665 -11.222 -4.938 617 HA LEU 78 HA LEU 78 5.186 -8.787 -3.580 618 HB2 LEU 78 HB2 LEU 78 7.453 -10.749 -3.406 619 HB3 LEU 78 HB3 LEU 78 7.224 -9.409 -2.303 620 HG LEU 78 HG LEU 78 4.898 -10.442 -1.917 621 HD11 LEU 78 HD11 LEU 78 6.381 -12.833 -3.000 622 HD12 LEU 78 HD12 LEU 78 4.839 -12.888 -2.146 623 HD13 LEU 78 HD13 LEU 78 4.953 -12.077 -3.708 624 HD21 LEU 78 HD21 LEU 78 7.407 -11.751 -0.884 625 HD22 LEU 78 HD22 LEU 78 6.601 -10.336 -0.205 626 HD23 LEU 78 HD23 LEU 78 5.808 -11.910 -0.158 627 H SER 79 H SER 79 7.680 -9.722 -5.932 628 HA SER 79 HA SER 79 9.232 -7.408 -5.739 629 HB2 SER 79 HB2 SER 79 8.655 -9.104 -8.182 630 HB3 SER 79 HB3 SER 79 9.931 -7.888 -8.085 631 HG SER 79 HG SER 79 10.866 -9.073 -6.386 632 H ALA 80 H ALA 80 6.275 -8.026 -7.460 633 HA ALA 80 HA ALA 80 6.142 -5.431 -8.696 634 HB1 ALA 80 HB1 ALA 80 5.186 -7.413 -9.777 635 HB2 ALA 80 HB2 ALA 80 4.021 -7.558 -8.461 636 HB3 ALA 80 HB3 ALA 80 3.982 -6.150 -9.522 637 H LEU 81 H LEU 81 5.921 -6.216 -5.573 638 HA LEU 81 HA LEU 81 3.328 -5.313 -4.839 639 HB2 LEU 81 HB2 LEU 81 5.314 -6.791 -3.642 640 HB3 LEU 81 HB3 LEU 81 5.264 -5.335 -2.672 641 HG LEU 81 HG LEU 81 3.815 -6.848 -1.618 642 HD11 LEU 81 HD11 LEU 81 2.823 -4.650 -1.810 643 HD12 LEU 81 HD12 LEU 81 2.102 -5.086 -3.359 644 HD13 LEU 81 HD13 LEU 81 1.579 -5.898 -1.884 645 HD21 LEU 81 HD21 LEU 81 2.091 -8.114 -2.780 646 HD22 LEU 81 HD22 LEU 81 2.602 -7.417 -4.316 647 HD23 LEU 81 HD23 LEU 81 3.693 -8.474 -3.421 648 H GLY 82 H GLY 82 5.369 -3.247 -6.151 649 HA2 GLY 82 HA2 GLY 82 5.017 -0.848 -5.769 650 HA3 GLY 82 HA3 GLY 82 4.740 -1.236 -4.092 651 H MET 83 H MET 83 7.534 -2.388 -6.011 652 HA MET 83 HA MET 83 9.281 -1.402 -3.981 653 HB2 MET 83 HB2 MET 83 11.117 -1.997 -5.572 654 HB3 MET 83 HB3 MET 83 10.009 -3.313 -5.225 655 HG2 MET 83 HG2 MET 83 8.883 -2.900 -7.366 656 HG3 MET 83 HG3 MET 83 10.045 -1.619 -7.710 657 HE1 MET 83 HE1 MET 83 9.435 -4.127 -9.621 658 HE2 MET 83 HE2 MET 83 10.578 -2.848 -10.034 659 HE3 MET 83 HE3 MET 83 11.070 -4.537 -10.146 660 H GLN 84 H GLN 84 8.553 0.649 -3.847 661 HA GLN 84 HA GLN 84 10.484 2.490 -4.790 662 HB2 GLN 84 HB2 GLN 84 8.594 4.197 -5.346 663 HB3 GLN 84 HB3 GLN 84 9.091 3.082 -6.599 664 HG2 GLN 84 HG2 GLN 84 7.152 1.620 -5.796 665 HG3 GLN 84 HG3 GLN 84 6.605 3.058 -4.934 666 HE21 GLN 84 HE21 GLN 84 5.915 4.851 -6.118 667 HE22 GLN 84 HE22 GLN 84 5.502 4.741 -7.790 668 H ASN 85 H ASN 85 9.791 4.657 -3.274 669 HA ASN 85 HA ASN 85 9.183 3.651 -0.720 670 HB2 ASN 85 HB2 ASN 85 8.389 5.909 -0.037 671 HB3 ASN 85 HB3 ASN 85 9.947 5.991 -0.864 672 HD21 ASN 85 HD21 ASN 85 8.823 5.752 -3.546 673 HD22 ASN 85 HD22 ASN 85 8.036 7.250 -3.870 674 H GLY 86 H GLY 86 7.569 2.352 -0.465 675 HA2 GLY 86 HA2 GLY 86 5.531 1.550 -0.134 676 HA3 GLY 86 HA3 GLY 86 4.990 3.216 -0.037 677 H CYS 87 H CYS 87 5.745 3.485 -3.016 678 HA CYS 87 HA CYS 87 4.634 3.443 -4.998 679 HB2 CYS 87 HB2 CYS 87 4.953 0.937 -4.576 680 HB3 CYS 87 HB3 CYS 87 3.264 0.935 -4.089 681 HG CYS 87 HG CYS 87 4.599 1.109 -7.169 682 H ARG 88 H ARG 88 1.925 2.232 -5.305 683 HA ARG 88 HA ARG 88 0.345 4.119 -3.723 684 HB2 ARG 88 HB2 ARG 88 -0.894 4.703 -5.855 685 HB3 ARG 88 HB3 ARG 88 0.731 5.354 -5.713 686 HG2 ARG 88 HG2 ARG 88 0.292 2.775 -7.150 687 HG3 ARG 88 HG3 ARG 88 -0.085 4.300 -7.947 688 HD2 ARG 88 HD2 ARG 88 2.588 3.819 -6.654 689 HD3 ARG 88 HD3 ARG 88 2.252 3.289 -8.301 690 HE ARG 88 HE ARG 88 1.997 6.114 -7.481 691 HH11 ARG 88 HH11 ARG 88 3.079 3.631 -9.697 692 HH12 ARG 88 HH12 ARG 88 3.792 4.762 -10.817 693 HH21 ARG 88 HH21 ARG 88 2.935 7.600 -8.935 694 HH22 ARG 88 HH22 ARG 88 3.717 7.023 -10.379 695 H VAL 89 H VAL 89 -1.774 3.512 -3.373 696 HA VAL 89 HA VAL 89 -2.976 1.207 -4.659 697 HB VAL 89 HB VAL 89 -3.649 0.354 -2.285 698 HG11 VAL 89 HG11 VAL 89 -0.902 -0.187 -3.401 699 HG12 VAL 89 HG12 VAL 89 -1.784 -1.224 -2.282 700 HG13 VAL 89 HG13 VAL 89 -2.401 -0.962 -3.913 701 HG21 VAL 89 HG21 VAL 89 -1.872 0.582 -0.616 702 HG22 VAL 89 HG22 VAL 89 -1.019 1.697 -1.686 703 HG23 VAL 89 HG23 VAL 89 -2.593 2.140 -1.025 704 H MET 90 H MET 90 -4.954 1.960 -5.195 705 HA MET 90 HA MET 90 -6.231 3.548 -3.068 706 HB2 MET 90 HB2 MET 90 -6.970 5.170 -4.338 707 HB3 MET 90 HB3 MET 90 -5.617 4.718 -5.369 708 HG2 MET 90 HG2 MET 90 -7.083 3.471 -6.820 709 HG3 MET 90 HG3 MET 90 -8.430 3.715 -5.706 710 HE1 MET 90 HE1 MET 90 -6.094 5.348 -8.396 711 HE2 MET 90 HE2 MET 90 -6.527 7.053 -8.271 712 HE3 MET 90 HE3 MET 90 -5.670 6.260 -6.946 713 H LEU 91 H LEU 91 -8.133 3.102 -2.432 714 HA LEU 91 HA LEU 91 -9.435 0.820 -3.692 715 HB2 LEU 91 HB2 LEU 91 -10.485 0.331 -1.586 716 HB3 LEU 91 HB3 LEU 91 -8.751 0.342 -1.427 717 HG LEU 91 HG LEU 91 -9.502 1.276 0.548 718 HD11 LEU 91 HD11 LEU 91 -7.768 2.658 -0.366 719 HD12 LEU 91 HD12 LEU 91 -8.963 3.652 -1.200 720 HD13 LEU 91 HD13 LEU 91 -8.913 3.627 0.563 721 HD21 LEU 91 HD21 LEU 91 -11.474 2.961 -0.983 722 HD22 LEU 91 HD22 LEU 91 -11.845 1.522 -0.034 723 HD23 LEU 91 HD23 LEU 91 -11.236 2.972 0.764 724 H ILE 92 H ILE 92 -11.384 1.010 -4.515 725 HA ILE 92 HA ILE 92 -12.758 3.535 -3.970 726 HB ILE 92 HB ILE 92 -13.073 1.706 -6.363 727 HG12 ILE 92 HG12 ILE 92 -11.842 4.463 -6.132 728 HG13 ILE 92 HG13 ILE 92 -10.950 2.962 -6.345 729 HG21 ILE 92 HG21 ILE 92 -14.489 3.492 -7.288 730 HG22 ILE 92 HG22 ILE 92 -15.172 2.797 -5.818 731 HG23 ILE 92 HG23 ILE 92 -14.367 4.365 -5.760 732 HD11 ILE 92 HD11 ILE 92 -11.118 4.163 -8.432 733 HD12 ILE 92 HD12 ILE 92 -12.024 2.652 -8.526 734 HD13 ILE 92 HD13 ILE 92 -12.877 4.179 -8.308 735 H GLY 93 H GLY 93 -14.222 3.357 -2.558 736 HA2 GLY 93 HA2 GLY 93 -16.570 1.979 -2.732 737 HA3 GLY 93 HA3 GLY 93 -15.495 0.883 -1.870 738 H GLU 94 H GLU 94 -15.235 1.151 0.252 739 HA GLU 94 HA GLU 94 -16.018 3.739 1.398 740 HB2 GLU 94 HB2 GLU 94 -16.757 0.981 2.348 741 HB3 GLU 94 HB3 GLU 94 -16.893 2.404 3.370 742 HG2 GLU 94 HG2 GLU 94 -18.415 3.387 1.663 743 HG3 GLU 94 HG3 GLU 94 -18.372 1.840 0.815 744 H LYS 95 H LYS 95 -14.175 4.582 2.175 745 HA LYS 95 HA LYS 95 -12.294 2.919 3.631 746 HB2 LYS 95 HB2 LYS 95 -12.423 5.804 2.866 747 HB3 LYS 95 HB3 LYS 95 -11.503 5.387 4.302 748 HG2 LYS 95 HG2 LYS 95 -10.197 3.771 2.874 749 HG3 LYS 95 HG3 LYS 95 -11.012 4.476 1.474 750 HD2 LYS 95 HD2 LYS 95 -10.086 6.634 1.939 751 HD3 LYS 95 HD3 LYS 95 -9.443 6.080 3.484 752 HE2 LYS 95 HE2 LYS 95 -7.945 4.515 2.269 753 HE3 LYS 95 HE3 LYS 95 -8.559 5.172 0.737 754 HZ1 LYS 95 HZ1 LYS 95 -7.735 7.353 1.373 755 HZ2 LYS 95 HZ2 LYS 95 -6.475 6.220 1.391 756 HZ3 LYS 95 HZ3 LYS 95 -7.165 6.740 2.845 757 H SER 96 H SER 96 -14.105 2.131 4.953 758 HA SER 96 HA SER 96 -15.650 3.671 6.667 759 HB2 SER 96 HB2 SER 96 -16.045 1.277 6.190 760 HB3 SER 96 HB3 SER 96 -14.618 0.863 7.139 761 HG SER 96 HG SER 96 -16.913 2.228 8.123 762 H ASN 97 H ASN 97 -14.506 5.280 7.666 763 HA ASN 97 HA ASN 97 -12.499 4.489 9.629 764 HB2 ASN 97 HB2 ASN 97 -12.392 7.085 9.932 765 HB3 ASN 97 HB3 ASN 97 -11.638 6.335 8.534 766 HD21 ASN 97 HD21 ASN 97 -15.099 6.907 8.958 767 HD22 ASN 97 HD22 ASN 97 -15.241 8.049 7.657
Contact the webmaster for help, if required. Thursday, May 23, 2024 3:56:32 PM GMT (wattos1)