NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
652943 | 6tj3 | 34459 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -3.222 16.303 -3.582 2 H2 MET 1 HT2 MET 1 -4.619 15.357 -3.659 3 H3 MET 1 HT3 MET 1 -4.607 16.899 -4.350 4 HA MET 1 HA MET 1 -4.451 15.229 -6.051 5 HB2 MET 1 HB2 MET 1 -2.515 16.066 -7.217 6 HB3 MET 1 HB1 MET 1 -3.238 17.395 -6.326 7 HG2 MET 1 HG2 MET 1 -1.527 16.967 -4.536 8 HG3 MET 1 HG1 MET 1 -0.756 15.859 -5.666 9 HE1 MET 1 HE1 MET 1 -1.193 17.314 -8.464 10 HE2 MET 1 HE2 MET 1 0.343 16.604 -7.969 11 HE3 MET 1 HE3 MET 1 0.293 18.256 -8.583 12 H ALA 2 HN ALA 2 -3.033 13.596 -7.114 13 HA ALA 2 HA ALA 2 -2.605 11.460 -5.382 14 HB1 ALA 2 HB1 ALA 2 -3.047 11.215 -7.774 15 HB2 ALA 2 HB2 ALA 2 -1.623 10.305 -7.273 16 HB3 ALA 2 HB3 ALA 2 -1.435 11.833 -8.131 17 H SER 3 HN SER 3 -0.230 13.704 -6.771 18 HA SER 3 HA SER 3 2.082 12.414 -5.862 19 HB2 SER 3 HB2 SER 3 2.120 14.203 -7.548 20 HB3 SER 3 HB1 SER 3 1.632 15.374 -6.325 21 HG SER 3 HG SER 3 3.587 15.162 -5.330 22 H ASP 4 HN ASP 4 0.040 14.842 -4.301 23 HA ASP 4 HA ASP 4 1.685 15.239 -2.038 24 HB2 ASP 4 HB2 ASP 4 -0.026 16.855 -2.573 25 HB3 ASP 4 HB1 ASP 4 -1.287 15.636 -2.430 26 H MET 5 HN MET 5 -1.000 13.060 -2.708 27 HA MET 5 HA MET 5 -1.074 11.835 -0.154 28 HB2 MET 5 HB2 MET 5 -2.893 11.756 -1.881 29 HB3 MET 5 HB1 MET 5 -1.898 10.643 -2.810 30 HG2 MET 5 HG2 MET 5 -3.600 9.471 -1.532 31 HG3 MET 5 HG1 MET 5 -1.979 9.029 -1.000 32 HE1 MET 5 HE1 MET 5 -4.143 8.853 2.293 33 HE2 MET 5 HE2 MET 5 -3.118 7.946 1.181 34 HE3 MET 5 HE3 MET 5 -4.718 8.483 0.667 35 H GLU 6 HN GLU 6 0.697 11.218 -3.112 36 HA GLU 6 HA GLU 6 1.874 8.760 -2.537 37 HB2 GLU 6 HB2 GLU 6 2.103 9.564 -4.722 38 HB3 GLU 6 HB1 GLU 6 2.714 11.122 -4.191 39 HG2 GLU 6 HG2 GLU 6 4.803 10.027 -3.496 40 HG3 GLU 6 HG1 GLU 6 4.176 8.499 -4.103 41 H GLU 7 HN GLU 7 2.867 12.022 -1.626 42 HA GLU 7 HA GLU 7 5.333 11.444 -0.479 43 HB2 GLU 7 HB2 GLU 7 3.307 13.486 0.436 44 HB3 GLU 7 HB1 GLU 7 5.016 13.490 0.843 45 HG2 GLU 7 HG2 GLU 7 3.799 13.859 -1.874 46 HG3 GLU 7 HG1 GLU 7 4.577 15.093 -0.888 47 H LYS 8 HN LYS 8 2.088 11.320 0.952 48 HA LYS 8 HA LYS 8 2.957 10.670 3.565 49 HB2 LYS 8 HB2 LYS 8 0.291 10.157 2.237 50 HB3 LYS 8 HB1 LYS 8 0.606 9.959 3.956 51 HG2 LYS 8 HG2 LYS 8 1.390 12.445 3.790 52 HG3 LYS 8 HG1 LYS 8 0.372 12.443 2.349 53 HD2 LYS 8 HD2 LYS 8 -0.571 11.469 5.030 54 HD3 LYS 8 HD1 LYS 8 -0.760 13.143 4.502 55 HE2 LYS 8 HE2 LYS 8 -1.823 10.748 3.010 56 HE3 LYS 8 HE1 LYS 8 -2.771 11.710 4.141 57 HZ1 LYS 8 HZ1 LYS 8 -3.122 12.362 1.825 58 HZ2 LYS 8 HZ2 LYS 8 -1.485 12.766 1.686 59 HZ3 LYS 8 HZ3 LYS 8 -2.477 13.629 2.742 60 H PHE 9 HN PHE 9 2.075 8.702 0.775 61 HA PHE 9 HA PHE 9 2.140 6.210 2.114 62 HB2 PHE 9 HB2 PHE 9 2.555 6.919 -0.794 63 HB3 PHE 9 HB1 PHE 9 2.521 5.264 -0.202 64 HD1 PHE 9 HD1 PHE 9 0.661 7.352 -1.995 65 HD2 PHE 9 HD2 PHE 9 0.336 5.144 1.623 66 HE1 PHE 9 HE1 PHE 9 -1.784 7.323 -2.240 67 HE2 PHE 9 HE2 PHE 9 -2.113 5.110 1.386 68 HZ PHE 9 HZ PHE 9 -3.176 6.202 -0.550 69 H ARG 10 HN ARG 10 4.578 8.133 0.456 70 HA ARG 10 HA ARG 10 6.657 6.242 0.540 71 HB2 ARG 10 HB2 ARG 10 6.701 8.223 -0.909 72 HB3 ARG 10 HB1 ARG 10 6.821 9.257 0.507 73 HG2 ARG 10 HG2 ARG 10 8.994 8.348 1.039 74 HG3 ARG 10 HG1 ARG 10 8.867 7.197 -0.292 75 HD2 ARG 10 HD2 ARG 10 8.932 10.200 -0.552 76 HD3 ARG 10 HD1 ARG 10 10.276 9.110 -0.879 77 HE ARG 10 HE ARG 10 9.070 8.266 -2.771 78 HH11 ARG 10 HH11 ARG 10 7.692 11.110 -1.281 79 HH12 ARG 10 HH12 ARG 10 6.782 11.581 -2.686 80 HH21 ARG 10 HH21 ARG 10 7.887 8.866 -4.625 81 HH22 ARG 10 HH22 ARG 10 6.880 10.286 -4.594 82 H GLU 11 HN GLU 11 5.768 8.844 2.750 83 HA GLU 11 HA GLU 11 7.921 8.543 4.523 84 HB2 GLU 11 HB2 GLU 11 6.546 10.523 4.591 85 HB3 GLU 11 HB1 GLU 11 5.126 9.574 5.011 86 HG2 GLU 11 HG2 GLU 11 6.112 9.001 7.149 87 HG3 GLU 11 HG1 GLU 11 7.580 9.879 6.727 88 H ALA 12 HN ALA 12 4.710 7.078 4.508 89 HA ALA 12 HA ALA 12 5.019 5.672 6.949 90 HB1 ALA 12 HB1 ALA 12 3.068 4.381 6.234 91 HB2 ALA 12 HB2 ALA 12 3.202 5.075 4.618 92 HB3 ALA 12 HB3 ALA 12 2.825 6.110 5.995 93 H PHE 13 HN PHE 13 5.666 4.879 3.592 94 HA PHE 13 HA PHE 13 6.224 2.160 3.817 95 HB2 PHE 13 HB2 PHE 13 6.057 3.587 1.716 96 HB3 PHE 13 HB1 PHE 13 7.700 4.113 2.046 97 HD1 PHE 13 HD1 PHE 13 5.585 1.430 0.855 98 HD2 PHE 13 HD2 PHE 13 9.572 2.540 1.825 99 HE1 PHE 13 HE1 PHE 13 6.420 -0.497 -0.411 100 HE2 PHE 13 HE2 PHE 13 10.421 0.609 0.556 101 HZ PHE 13 HZ PHE 13 8.845 -0.913 -0.564 102 H ILE 14 HN ILE 14 8.360 4.963 4.110 103 HA ILE 14 HA ILE 14 10.741 3.588 4.656 104 HB ILE 14 HB ILE 14 9.893 6.369 5.473 105 HG12 ILE 14 HG12 ILE 14 11.605 5.432 3.161 106 HG13 ILE 14 HG11 ILE 14 9.908 5.881 3.030 107 HG21 ILE 14 HG21 ILE 14 12.286 6.842 5.733 108 HG22 ILE 14 HG22 ILE 14 12.648 5.143 5.429 109 HG23 ILE 14 HG23 ILE 14 11.736 5.605 6.865 110 HD11 ILE 14 HD11 ILE 14 11.344 7.681 2.294 111 HD12 ILE 14 HD12 ILE 14 12.161 7.692 3.857 112 HD13 ILE 14 HD13 ILE 14 10.461 8.148 3.747 113 H LEU 15 HN LEU 15 8.171 4.729 6.788 114 HA LEU 15 HA LEU 15 9.489 4.259 9.231 115 HB2 LEU 15 HB2 LEU 15 6.536 4.131 8.630 116 HB3 LEU 15 HB1 LEU 15 7.246 4.233 10.228 117 HG LEU 15 HG LEU 15 7.429 6.359 8.093 118 HD11 LEU 15 HD11 LEU 15 5.185 6.140 9.023 119 HD12 LEU 15 HD12 LEU 15 5.952 7.639 9.547 120 HD13 LEU 15 HD13 LEU 15 5.842 6.271 10.655 121 HD21 LEU 15 HD21 LEU 15 8.382 7.743 9.888 122 HD22 LEU 15 HD22 LEU 15 9.402 6.357 9.504 123 HD23 LEU 15 HD23 LEU 15 8.394 6.336 10.951 124 H PHE 16 HN PHE 16 7.455 2.203 7.208 125 HA PHE 16 HA PHE 16 7.457 0.031 9.072 126 HB2 PHE 16 HB2 PHE 16 6.472 0.386 6.263 127 HB3 PHE 16 HB1 PHE 16 6.520 -1.213 6.995 128 HD1 PHE 16 HD1 PHE 16 4.736 -1.946 8.251 129 HD2 PHE 16 HD2 PHE 16 5.228 2.229 7.614 130 HE1 PHE 16 HE1 PHE 16 2.571 -1.531 9.338 131 HE2 PHE 16 HE2 PHE 16 3.064 2.655 8.702 132 HZ PHE 16 HZ PHE 16 1.732 0.774 9.567 133 H SER 17 HN SER 17 9.232 0.737 6.066 134 HA SER 17 HA SER 17 10.511 -1.848 6.101 135 HB2 SER 17 HB2 SER 17 11.768 -0.993 4.148 136 HB3 SER 17 HB1 SER 17 10.030 -0.755 3.964 137 HG SER 17 HG SER 17 11.596 1.073 3.507 138 H SER 18 HN SER 18 11.063 1.193 7.488 139 HA SER 18 HA SER 18 12.551 2.016 8.940 140 HB2 SER 18 HB2 SER 18 14.000 0.625 10.217 141 HB3 SER 18 HB1 SER 18 12.532 -0.299 9.920 142 HG SER 18 HG SER 18 13.776 -1.206 8.073 143 H CYS 19 HN CYS 19 13.790 0.410 6.124 144 HA CYS 19 HA CYS 19 15.481 2.619 5.516 145 HB2 CYS 19 HB2 CYS 19 16.864 1.252 7.167 146 HB3 CYS 19 HB1 CYS 19 16.887 -0.025 5.956 147 HG CYS 19 HG CYS 19 18.451 2.992 5.903 148 H SER 20 HN SER 20 16.788 2.025 3.462 149 HA SER 20 HA SER 20 16.790 1.507 1.278 150 HB2 SER 20 HB2 SER 20 16.417 -0.760 0.606 151 HB3 SER 20 HB1 SER 20 17.133 -0.802 2.212 152 HG SER 20 HG SER 20 14.708 -0.842 2.824 153 H ASP 21 HN ASP 21 15.273 0.617 -0.589 154 HA ASP 21 HA ASP 21 12.811 2.204 -0.347 155 HB2 ASP 21 HB2 ASP 21 14.558 2.796 -2.082 156 HB3 ASP 21 HB1 ASP 21 14.192 1.270 -2.874 157 H HIS 22 HN HIS 22 13.614 -0.827 0.122 158 HA HIS 22 HA HIS 22 11.323 -1.957 -1.348 159 HB2 HIS 22 HB2 HIS 22 13.776 -3.406 -0.322 160 HB3 HIS 22 HB1 HIS 22 12.438 -4.138 -1.200 161 HD1 HIS 22 HD1 HIS 22 15.725 -2.838 -1.721 162 HD2 HIS 22 HD2 HIS 22 12.202 -2.886 -3.927 163 HE1 HIS 22 HE1 HIS 22 16.410 -2.388 -4.095 164 HE2 HIS 22 HE2 HIS 22 14.255 -2.331 -5.400 165 H ILE 23 HN ILE 23 9.877 -3.272 -0.222 166 HA ILE 23 HA ILE 23 10.165 -3.150 2.709 167 HB ILE 23 HB ILE 23 8.333 -1.728 1.867 168 HG12 ILE 23 HG12 ILE 23 7.224 -4.116 3.344 169 HG13 ILE 23 HG11 ILE 23 8.263 -2.911 4.100 170 HG21 ILE 23 HG21 ILE 23 7.090 -4.305 0.905 171 HG22 ILE 23 HG22 ILE 23 7.743 -3.032 -0.124 172 HG23 ILE 23 HG23 ILE 23 6.329 -2.712 0.881 173 HD11 ILE 23 HD11 ILE 23 5.592 -2.369 2.828 174 HD12 ILE 23 HD12 ILE 23 6.622 -1.188 3.639 175 HD13 ILE 23 HD13 ILE 23 5.904 -2.512 4.558 176 H GLU 24 HN GLU 24 9.950 -4.976 3.852 177 HA GLU 24 HA GLU 24 9.945 -7.509 2.644 178 HB2 GLU 24 HB2 GLU 24 9.435 -6.609 5.472 179 HB3 GLU 24 HB1 GLU 24 9.438 -8.305 5.005 180 HG2 GLU 24 HG2 GLU 24 11.715 -8.001 4.134 181 HG3 GLU 24 HG1 GLU 24 11.717 -6.367 4.782 182 H MET 25 HN MET 25 8.409 -9.065 2.502 183 HA MET 25 HA MET 25 5.915 -8.132 1.603 184 HB2 MET 25 HB2 MET 25 7.395 -10.346 1.148 185 HB3 MET 25 HB1 MET 25 6.186 -11.006 2.240 186 HG2 MET 25 HG2 MET 25 5.455 -11.336 -0.006 187 HG3 MET 25 HG1 MET 25 4.422 -10.124 0.752 188 HE1 MET 25 HE1 MET 25 4.695 -9.081 -3.065 189 HE2 MET 25 HE2 MET 25 3.592 -9.569 -1.779 190 HE3 MET 25 HE3 MET 25 4.751 -10.726 -2.431 191 H TYR 26 HN TYR 26 6.963 -9.555 4.652 192 HA TYR 26 HA TYR 26 4.291 -10.006 5.595 193 HB2 TYR 26 HB2 TYR 26 5.264 -10.890 7.477 194 HB3 TYR 26 HB1 TYR 26 6.580 -11.083 6.341 195 HD1 TYR 26 HD1 TYR 26 8.419 -9.297 6.349 196 HD2 TYR 26 HD2 TYR 26 5.559 -9.690 9.470 197 HE1 TYR 26 HE1 TYR 26 9.889 -8.028 7.848 198 HE2 TYR 26 HE2 TYR 26 7.024 -8.419 10.980 199 HH TYR 26 HH TYR 26 9.412 -7.861 11.201 200 H LYS 27 HN LYS 27 6.580 -7.419 5.655 201 HA LYS 27 HA LYS 27 5.246 -5.879 7.689 202 HB2 LYS 27 HB2 LYS 27 7.678 -5.975 7.503 203 HB3 LYS 27 HB1 LYS 27 7.595 -5.388 5.852 204 HG2 LYS 27 HG2 LYS 27 8.289 -3.674 7.373 205 HG3 LYS 27 HG1 LYS 27 6.746 -3.279 6.623 206 HD2 LYS 27 HD2 LYS 27 6.627 -2.710 8.952 207 HD3 LYS 27 HD1 LYS 27 5.603 -4.108 8.664 208 HE2 LYS 27 HE2 LYS 27 7.382 -5.570 9.512 209 HE3 LYS 27 HE1 LYS 27 8.388 -4.156 9.823 210 HZ1 LYS 27 HZ1 LYS 27 7.218 -4.955 11.811 211 HZ2 LYS 27 HZ2 LYS 27 5.734 -4.647 11.060 212 HZ3 LYS 27 HZ3 LYS 27 6.788 -3.370 11.412 213 H PHE 28 HN PHE 28 4.791 -6.523 4.484 214 HA PHE 28 HA PHE 28 4.251 -3.888 3.501 215 HB2 PHE 28 HB2 PHE 28 5.151 -5.431 1.948 216 HB3 PHE 28 HB1 PHE 28 3.958 -6.657 2.358 217 HD1 PHE 28 HD1 PHE 28 4.351 -3.323 0.797 218 HD2 PHE 28 HD2 PHE 28 1.988 -6.837 1.171 219 HE1 PHE 28 HE1 PHE 28 2.920 -2.550 -1.044 220 HE2 PHE 28 HE2 PHE 28 0.547 -6.080 -0.659 221 HZ PHE 28 HZ PHE 28 1.000 -3.933 -1.774 222 H PHE 29 HN PHE 29 2.226 -6.671 4.446 223 HA PHE 29 HA PHE 29 -0.155 -5.459 3.494 224 HB2 PHE 29 HB2 PHE 29 0.183 -7.933 3.895 225 HB3 PHE 29 HB1 PHE 29 -0.021 -7.604 5.612 226 HD1 PHE 29 HD1 PHE 29 -1.699 -8.091 2.419 227 HD2 PHE 29 HD2 PHE 29 -2.179 -6.684 6.430 228 HE1 PHE 29 HE1 PHE 29 -4.143 -8.248 2.204 229 HE2 PHE 29 HE2 PHE 29 -4.617 -6.833 6.195 230 HZ PHE 29 HZ PHE 29 -5.601 -7.621 4.083 231 H GLU 30 HN GLU 30 1.455 -5.480 6.624 232 HA GLU 30 HA GLU 30 -0.612 -4.174 8.038 233 HB2 GLU 30 HB2 GLU 30 1.087 -3.652 9.729 234 HB3 GLU 30 HB1 GLU 30 1.109 -5.340 9.255 235 HG2 GLU 30 HG2 GLU 30 3.054 -4.928 7.856 236 HG3 GLU 30 HG1 GLU 30 3.022 -3.227 8.305 237 H LEU 31 HN LEU 31 1.943 -3.044 5.990 238 HA LEU 31 HA LEU 31 1.882 -0.315 6.576 239 HB2 LEU 31 HB2 LEU 31 3.629 -1.189 5.217 240 HB3 LEU 31 HB1 LEU 31 2.491 -1.863 4.070 241 HG LEU 31 HG LEU 31 1.850 0.569 3.551 242 HD11 LEU 31 HD11 LEU 31 3.594 2.219 3.958 243 HD12 LEU 31 HD12 LEU 31 4.499 1.036 4.902 244 HD13 LEU 31 HD13 LEU 31 2.928 1.605 5.473 245 HD21 LEU 31 HD21 LEU 31 3.091 -0.886 2.035 246 HD22 LEU 31 HD22 LEU 31 4.597 -0.440 2.837 247 HD23 LEU 31 HD23 LEU 31 3.674 0.776 1.956 248 H MET 32 HN MET 32 -0.251 -2.314 4.661 249 HA MET 32 HA MET 32 -1.461 0.004 3.400 250 HB2 MET 32 HB2 MET 32 -2.194 -2.901 3.153 251 HB3 MET 32 HB1 MET 32 -2.800 -1.598 2.147 252 HG2 MET 32 HG2 MET 32 -0.569 -1.210 1.275 253 HG3 MET 32 HG1 MET 32 0.064 -2.495 2.307 254 HE1 MET 32 HE1 MET 32 -1.644 -4.540 2.504 255 HE2 MET 32 HE2 MET 32 -0.428 -5.361 1.522 256 HE3 MET 32 HE3 MET 32 -2.132 -5.457 1.086 257 H ASN 33 HN ASN 33 -2.371 -2.355 5.876 258 HA ASN 33 HA ASN 33 -5.103 -1.583 5.885 259 HB2 ASN 33 HB2 ASN 33 -5.424 -2.874 7.820 260 HB3 ASN 33 HB1 ASN 33 -4.153 -3.719 6.945 261 HD21 ASN 33 HD21 ASN 33 -2.185 -3.916 7.846 262 HD22 ASN 33 HD22 ASN 33 -1.793 -3.385 9.444 263 H SER 34 HN SER 34 -2.244 -0.194 7.072 264 HA SER 34 HA SER 34 -3.287 1.408 9.163 265 HB2 SER 34 HB2 SER 34 -0.870 0.975 8.855 266 HB3 SER 34 HB1 SER 34 -0.899 1.916 7.365 267 HG SER 34 HG SER 34 -1.949 3.316 9.442 268 H PHE 35 HN PHE 35 -3.246 1.706 5.690 269 HA PHE 35 HA PHE 35 -4.285 4.439 5.817 270 HB2 PHE 35 HB2 PHE 35 -3.259 2.719 3.569 271 HB3 PHE 35 HB1 PHE 35 -4.115 4.229 3.266 272 HD1 PHE 35 HD1 PHE 35 -3.141 6.366 4.033 273 HD2 PHE 35 HD2 PHE 35 -1.006 2.695 4.289 274 HE1 PHE 35 HE1 PHE 35 -1.039 7.613 4.297 275 HE2 PHE 35 HE2 PHE 35 1.100 3.936 4.558 276 HZ PHE 35 HZ PHE 35 1.085 6.398 4.561 277 H GLY 36 HN GLY 36 -5.426 1.303 5.768 278 HA2 GLY 36 HA2 GLY 36 -7.700 0.701 5.806 279 HA3 GLY 36 HA1 GLY 36 -8.090 2.216 5.007 280 H ILE 37 HN ILE 37 -5.487 0.629 3.570 281 HA ILE 37 HA ILE 37 -7.109 -0.113 1.274 282 HB ILE 37 HB ILE 37 -4.125 -0.049 1.734 283 HG12 ILE 37 HG12 ILE 37 -5.868 1.633 -0.075 284 HG13 ILE 37 HG11 ILE 37 -5.352 2.126 1.534 285 HG21 ILE 37 HG21 ILE 37 -4.627 -1.848 0.189 286 HG22 ILE 37 HG22 ILE 37 -3.889 -0.497 -0.672 287 HG23 ILE 37 HG23 ILE 37 -5.629 -0.767 -0.779 288 HD11 ILE 37 HD11 ILE 37 -3.989 3.112 -0.242 289 HD12 ILE 37 HD12 ILE 37 -3.507 1.493 -0.753 290 HD13 ILE 37 HD13 ILE 37 -3.048 2.091 0.841 291 H ILE 38 HN ILE 38 -7.747 -2.130 0.861 292 HA ILE 38 HA ILE 38 -6.563 -4.282 2.478 293 HB ILE 38 HB ILE 38 -8.663 -5.565 1.799 294 HG12 ILE 38 HG12 ILE 38 -9.605 -2.752 1.208 295 HG13 ILE 38 HG11 ILE 38 -9.376 -4.023 0.013 296 HG21 ILE 38 HG21 ILE 38 -8.876 -3.176 3.618 297 HG22 ILE 38 HG22 ILE 38 -8.235 -4.764 4.042 298 HG23 ILE 38 HG23 ILE 38 -9.943 -4.581 3.636 299 HD11 ILE 38 HD11 ILE 38 -11.720 -3.743 0.582 300 HD12 ILE 38 HD12 ILE 38 -11.358 -4.073 2.276 301 HD13 ILE 38 HD13 ILE 38 -11.136 -5.336 1.065 302 H LEU 39 HN LEU 39 -5.903 -6.165 1.583 303 HA LEU 39 HA LEU 39 -5.382 -6.065 -1.309 304 HB2 LEU 39 HB2 LEU 39 -3.747 -6.560 0.901 305 HB3 LEU 39 HB1 LEU 39 -3.994 -8.127 0.177 306 HG LEU 39 HG LEU 39 -2.768 -5.700 -1.121 307 HD11 LEU 39 HD11 LEU 39 -1.121 -6.680 0.170 308 HD12 LEU 39 HD12 LEU 39 -0.905 -7.485 -1.382 309 HD13 LEU 39 HD13 LEU 39 -1.752 -8.301 -0.070 310 HD21 LEU 39 HD21 LEU 39 -2.460 -7.055 -3.091 311 HD22 LEU 39 HD22 LEU 39 -4.177 -6.926 -2.712 312 HD23 LEU 39 HD23 LEU 39 -3.296 -8.403 -2.324 313 H THR 40 HN THR 40 -6.517 -7.447 -2.565 314 HA THR 40 HA THR 40 -8.033 -9.566 -1.298 315 HB THR 40 HB THR 40 -8.755 -9.994 -3.744 316 HG1 THR 40 HG1 THR 40 -7.949 -8.703 -5.192 317 HG21 THR 40 HG21 THR 40 -9.468 -7.453 -2.287 318 HG22 THR 40 HG22 THR 40 -10.237 -9.029 -2.114 319 HG23 THR 40 HG23 THR 40 -10.389 -8.136 -3.626 320 H ASN 41 HN ASN 41 -8.052 -11.755 -2.311 321 HA ASN 41 HA ASN 41 -5.520 -12.916 -2.138 322 HB2 ASN 41 HB2 ASN 41 -7.620 -14.155 -1.779 323 HB3 ASN 41 HB1 ASN 41 -7.981 -14.034 -3.498 324 HD21 ASN 41 HD21 ASN 41 -5.991 -15.541 -1.082 325 HD22 ASN 41 HD22 ASN 41 -5.369 -16.798 -2.098 326 H ASP 42 HN ASP 42 -7.415 -12.005 -4.973 327 HA ASP 42 HA ASP 42 -5.726 -13.132 -6.916 328 HB2 ASP 42 HB2 ASP 42 -6.913 -11.769 -8.535 329 HB3 ASP 42 HB1 ASP 42 -8.055 -12.420 -7.369 330 H GLU 43 HN GLU 43 -5.761 -9.921 -5.431 331 HA GLU 43 HA GLU 43 -3.705 -8.887 -7.096 332 HB2 GLU 43 HB2 GLU 43 -4.866 -7.979 -4.480 333 HB3 GLU 43 HB1 GLU 43 -3.509 -7.149 -5.224 334 HG2 GLU 43 HG2 GLU 43 -4.915 -6.849 -7.261 335 HG3 GLU 43 HG1 GLU 43 -6.274 -7.495 -6.342 336 H LYS 44 HN LYS 44 -3.712 -10.282 -3.824 337 HA LYS 44 HA LYS 44 -1.002 -9.991 -3.270 338 HB2 LYS 44 HB2 LYS 44 -3.051 -11.986 -2.388 339 HB3 LYS 44 HB1 LYS 44 -1.364 -12.222 -1.950 340 HG2 LYS 44 HG2 LYS 44 -1.511 -9.777 -1.133 341 HG3 LYS 44 HG1 LYS 44 -3.248 -10.060 -1.100 342 HD2 LYS 44 HD2 LYS 44 -2.582 -10.630 1.048 343 HD3 LYS 44 HD1 LYS 44 -2.645 -12.191 0.225 344 HE2 LYS 44 HE2 LYS 44 -0.620 -12.060 1.526 345 HE3 LYS 44 HE1 LYS 44 -0.213 -12.024 -0.188 346 HZ1 LYS 44 HZ1 LYS 44 1.060 -10.387 1.019 347 HZ2 LYS 44 HZ2 LYS 44 -0.349 -9.673 1.624 348 HZ3 LYS 44 HZ3 LYS 44 -0.009 -9.604 -0.036 349 H ALA 45 HN ALA 45 -2.659 -12.423 -5.163 350 HA ALA 45 HA ALA 45 -0.365 -14.052 -5.624 351 HB1 ALA 45 HB1 ALA 45 -2.923 -13.847 -7.210 352 HB2 ALA 45 HB2 ALA 45 -2.657 -14.898 -5.821 353 HB3 ALA 45 HB3 ALA 45 -1.738 -15.149 -7.303 354 H ALA 46 HN ALA 46 -1.261 -11.007 -6.762 355 HA ALA 46 HA ALA 46 0.046 -11.403 -9.369 356 HB1 ALA 46 HB1 ALA 46 -1.081 -9.379 -10.084 357 HB2 ALA 46 HB2 ALA 46 -1.726 -9.140 -8.460 358 HB3 ALA 46 HB3 ALA 46 -2.243 -10.527 -9.419 359 H LEU 47 HN LEU 47 0.514 -9.897 -6.308 360 HA LEU 47 HA LEU 47 2.143 -7.736 -7.247 361 HB2 LEU 47 HB2 LEU 47 2.300 -8.862 -4.466 362 HB3 LEU 47 HB1 LEU 47 2.609 -7.226 -4.994 363 HG LEU 47 HG LEU 47 -0.055 -8.574 -4.627 364 HD11 LEU 47 HD11 LEU 47 -0.416 -6.625 -3.139 365 HD12 LEU 47 HD12 LEU 47 1.263 -6.157 -3.410 366 HD13 LEU 47 HD13 LEU 47 0.889 -7.688 -2.615 367 HD21 LEU 47 HD21 LEU 47 -0.040 -7.252 -6.735 368 HD22 LEU 47 HD22 LEU 47 0.384 -5.829 -5.783 369 HD23 LEU 47 HD23 LEU 47 -1.152 -6.653 -5.508 370 HA PRO 48 HA PRO 48 5.963 -9.962 -7.917 371 HB2 PRO 48 HB2 PRO 48 7.227 -7.390 -7.171 372 HB3 PRO 48 HB1 PRO 48 7.391 -8.332 -8.656 373 HG2 PRO 48 HG2 PRO 48 6.004 -6.046 -8.606 374 HG3 PRO 48 HG1 PRO 48 5.493 -7.420 -9.603 375 HD2 PRO 48 HD2 PRO 48 4.407 -6.467 -6.986 376 HD3 PRO 48 HD1 PRO 48 3.548 -7.117 -8.399 377 H ASN 49 HN ASN 49 7.597 -10.848 -6.673 378 HA ASN 49 HA ASN 49 7.025 -11.109 -3.929 379 HB2 ASN 49 HB2 ASN 49 9.444 -11.971 -5.520 380 HB3 ASN 49 HB1 ASN 49 9.169 -12.408 -3.839 381 HD21 ASN 49 HD21 ASN 49 9.411 -14.131 -6.146 382 HD22 ASN 49 HD22 ASN 49 7.938 -15.034 -6.237 383 H ASP 50 HN ASP 50 9.116 -8.959 -5.657 384 HA ASP 50 HA ASP 50 9.968 -7.842 -3.066 385 HB2 ASP 50 HB2 ASP 50 11.898 -8.494 -4.399 386 HB3 ASP 50 HB1 ASP 50 11.279 -7.604 -5.785 387 H ILE 51 HN ILE 51 8.841 -6.120 -2.521 388 HA ILE 51 HA ILE 51 7.631 -4.485 -4.637 389 HB ILE 51 HB ILE 51 6.851 -4.755 -1.730 390 HG12 ILE 51 HG12 ILE 51 5.476 -5.648 -4.276 391 HG13 ILE 51 HG11 ILE 51 6.307 -6.703 -3.139 392 HG21 ILE 51 HG21 ILE 51 4.933 -3.347 -2.281 393 HG22 ILE 51 HG22 ILE 51 5.538 -3.150 -3.924 394 HG23 ILE 51 HG23 ILE 51 6.445 -2.485 -2.566 395 HD11 ILE 51 HD11 ILE 51 3.844 -5.076 -2.566 396 HD12 ILE 51 HD12 ILE 51 4.675 -6.127 -1.419 397 HD13 ILE 51 HD13 ILE 51 3.907 -6.816 -2.850 398 H ASN 52 HN ASN 52 8.268 -2.437 -4.922 399 HA ASN 52 HA ASN 52 10.051 -1.282 -2.893 400 HB2 ASN 52 HB2 ASN 52 10.977 0.140 -4.628 401 HB3 ASN 52 HB1 ASN 52 11.100 -1.539 -5.095 402 HD21 ASN 52 HD21 ASN 52 11.156 0.848 -6.724 403 HD22 ASN 52 HD22 ASN 52 9.870 0.686 -7.874 404 H MET 53 HN MET 53 10.065 1.274 -3.427 405 HA MET 53 HA MET 53 7.743 2.251 -2.189 406 HB2 MET 53 HB2 MET 53 9.973 3.341 -2.149 407 HB3 MET 53 HB1 MET 53 9.746 3.793 -3.832 408 HG2 MET 53 HG2 MET 53 9.133 5.702 -2.703 409 HG3 MET 53 HG1 MET 53 7.596 4.898 -3.023 410 HE1 MET 53 HE1 MET 53 10.279 3.920 -0.273 411 HE2 MET 53 HE2 MET 53 9.709 4.906 1.072 412 HE3 MET 53 HE3 MET 53 10.349 5.679 -0.378 413 H ASP 54 HN ASP 54 8.770 2.324 -5.583 414 HA ASP 54 HA ASP 54 6.706 3.980 -6.510 415 HB2 ASP 54 HB2 ASP 54 8.718 3.586 -7.827 416 HB3 ASP 54 HB1 ASP 54 8.278 1.891 -8.025 417 H TYR 55 HN TYR 55 6.897 0.430 -6.306 418 HA TYR 55 HA TYR 55 4.444 -0.026 -7.635 419 HB2 TYR 55 HB2 TYR 55 6.234 -1.778 -7.111 420 HB3 TYR 55 HB1 TYR 55 5.556 -1.832 -5.487 421 HD1 TYR 55 HD1 TYR 55 3.496 -2.985 -5.038 422 HD2 TYR 55 HD2 TYR 55 4.844 -2.474 -9.044 423 HE1 TYR 55 HE1 TYR 55 1.796 -4.560 -5.807 424 HE2 TYR 55 HE2 TYR 55 3.136 -4.057 -9.822 425 HH TYR 55 HH TYR 55 0.548 -5.078 -7.900 426 H TRP 56 HN TRP 56 5.275 0.397 -4.212 427 HA TRP 56 HA TRP 56 2.750 0.055 -3.116 428 HB2 TRP 56 HB2 TRP 56 4.669 0.237 -1.690 429 HB3 TRP 56 HB1 TRP 56 5.046 1.839 -2.300 430 HD1 TRP 56 HD1 TRP 56 4.789 3.311 -0.206 431 HE1 TRP 56 HE1 TRP 56 2.894 3.792 1.462 432 HE3 TRP 56 HE3 TRP 56 1.452 -0.231 -1.744 433 HZ2 TRP 56 HZ2 TRP 56 0.310 2.807 2.041 434 HZ3 TRP 56 HZ3 TRP 56 -0.715 -0.394 -0.587 435 HH2 TRP 56 HH2 TRP 56 -1.271 1.095 1.269 436 H LEU 57 HN LEU 57 4.291 3.012 -4.332 437 HA LEU 57 HA LEU 57 2.208 4.780 -3.734 438 HB2 LEU 57 HB2 LEU 57 4.079 4.940 -6.095 439 HB3 LEU 57 HB1 LEU 57 3.195 6.271 -5.372 440 HG LEU 57 HG LEU 57 5.345 4.676 -4.006 441 HD11 LEU 57 HD11 LEU 57 6.295 5.998 -5.783 442 HD12 LEU 57 HD12 LEU 57 6.691 6.730 -4.229 443 HD13 LEU 57 HD13 LEU 57 5.420 7.426 -5.233 444 HD21 LEU 57 HD21 LEU 57 3.684 7.036 -3.153 445 HD22 LEU 57 HD22 LEU 57 5.223 6.635 -2.390 446 HD23 LEU 57 HD23 LEU 57 3.887 5.484 -2.338 447 H ASN 58 HN ASN 58 2.886 3.014 -6.712 448 HA ASN 58 HA ASN 58 0.669 3.992 -8.175 449 HB2 ASN 58 HB2 ASN 58 2.749 2.926 -9.127 450 HB3 ASN 58 HB1 ASN 58 2.107 1.369 -8.621 451 HD21 ASN 58 HD21 ASN 58 2.744 2.418 -11.278 452 HD22 ASN 58 HD22 ASN 58 1.291 2.269 -12.204 453 H PHE 59 HN PHE 59 1.155 0.956 -6.387 454 HA PHE 59 HA PHE 59 -1.375 -0.171 -6.875 455 HB2 PHE 59 HB2 PHE 59 0.431 -1.494 -5.994 456 HB3 PHE 59 HB1 PHE 59 0.575 -0.467 -4.578 457 HD1 PHE 59 HD1 PHE 59 -1.129 -3.257 -6.118 458 HD2 PHE 59 HD2 PHE 59 -1.111 -0.615 -2.783 459 HE1 PHE 59 HE1 PHE 59 -2.557 -4.824 -4.873 460 HE2 PHE 59 HE2 PHE 59 -2.545 -2.173 -1.535 461 HZ PHE 59 HZ PHE 59 -3.266 -4.284 -2.579 462 H ALA 60 HN ALA 60 -0.197 2.022 -4.395 463 HA ALA 60 HA ALA 60 -2.634 2.276 -2.968 464 HB1 ALA 60 HB1 ALA 60 -0.343 4.225 -3.164 465 HB2 ALA 60 HB2 ALA 60 -0.475 2.898 -2.008 466 HB3 ALA 60 HB3 ALA 60 -1.621 4.237 -1.948 467 H LYS 61 HN LYS 61 -1.429 3.765 -5.897 468 HA LYS 61 HA LYS 61 -3.258 5.956 -5.986 469 HB2 LYS 61 HB2 LYS 61 -1.942 4.493 -8.281 470 HB3 LYS 61 HB1 LYS 61 -2.798 6.018 -8.385 471 HG2 LYS 61 HG2 LYS 61 -0.369 5.655 -6.683 472 HG3 LYS 61 HG1 LYS 61 -0.301 6.143 -8.369 473 HD2 LYS 61 HD2 LYS 61 -0.686 8.252 -7.777 474 HD3 LYS 61 HD1 LYS 61 -2.232 7.769 -7.079 475 HE2 LYS 61 HE2 LYS 61 0.449 7.846 -5.716 476 HE3 LYS 61 HE1 LYS 61 -0.959 8.854 -5.374 477 HZ1 LYS 61 HZ1 LYS 61 -2.156 6.796 -4.775 478 HZ2 LYS 61 HZ2 LYS 61 -0.846 7.130 -3.754 479 HZ3 LYS 61 HZ3 LYS 61 -0.709 5.932 -4.946 480 H LYS 62 HN LYS 62 -3.312 2.630 -6.974 481 HA LYS 62 HA LYS 62 -5.670 2.753 -8.544 482 HB2 LYS 62 HB2 LYS 62 -3.900 1.087 -8.874 483 HB3 LYS 62 HB1 LYS 62 -4.237 0.416 -7.289 484 HG2 LYS 62 HG2 LYS 62 -6.492 -0.217 -8.076 485 HG3 LYS 62 HG1 LYS 62 -6.062 0.380 -9.681 486 HD2 LYS 62 HD2 LYS 62 -5.726 -1.999 -9.647 487 HD3 LYS 62 HD1 LYS 62 -4.146 -1.214 -9.691 488 HE2 LYS 62 HE2 LYS 62 -4.114 -1.449 -7.168 489 HE3 LYS 62 HE1 LYS 62 -5.517 -2.498 -7.340 490 HZ1 LYS 62 HZ1 LYS 62 -3.749 -3.956 -7.302 491 HZ2 LYS 62 HZ2 LYS 62 -2.744 -2.951 -8.228 492 HZ3 LYS 62 HZ3 LYS 62 -4.025 -3.779 -8.965 493 H HIS 63 HN HIS 63 -5.008 1.539 -5.273 494 HA HIS 63 HA HIS 63 -7.776 0.941 -4.769 495 HB2 HIS 63 HB2 HIS 63 -5.386 1.139 -2.928 496 HB3 HIS 63 HB1 HIS 63 -6.997 0.703 -2.377 497 HD1 HIS 63 HD1 HIS 63 -7.153 -1.719 -2.025 498 HD2 HIS 63 HD2 HIS 63 -4.711 -0.788 -5.260 499 HE1 HIS 63 HE1 HIS 63 -6.324 -3.911 -2.894 500 HE2 HIS 63 HE2 HIS 63 -5.087 -3.351 -5.011 501 H TYR 64 HN TYR 64 -5.670 3.619 -4.417 502 HA TYR 64 HA TYR 64 -5.570 5.388 -2.986 503 HB2 TYR 64 HB2 TYR 64 -7.412 5.733 -5.005 504 HB3 TYR 64 HB1 TYR 64 -8.272 6.292 -3.572 505 HD1 TYR 64 HD1 TYR 64 -5.503 6.911 -5.840 506 HD2 TYR 64 HD2 TYR 64 -7.415 8.180 -2.260 507 HE1 TYR 64 HE1 TYR 64 -4.240 9.013 -5.921 508 HE2 TYR 64 HE2 TYR 64 -6.162 10.294 -2.332 509 HH TYR 64 HH TYR 64 -4.588 11.401 -5.024 510 H ASN 65 HN ASN 65 -9.036 5.288 -2.553 511 HA ASN 65 HA ASN 65 -9.019 3.918 -0.073 512 HB2 ASN 65 HB2 ASN 65 -7.935 6.139 0.532 513 HB3 ASN 65 HB1 ASN 65 -9.462 6.909 0.124 514 HD21 ASN 65 HD21 ASN 65 -7.849 4.735 2.322 515 HD22 ASN 65 HD22 ASN 65 -9.013 4.847 3.595 516 H TYR 66 HN TYR 66 -10.388 3.843 -2.543 517 HA TYR 66 HA TYR 66 -13.101 4.663 -1.736 518 HB2 TYR 66 HB2 TYR 66 -13.634 5.199 -4.047 519 HB3 TYR 66 HB1 TYR 66 -12.238 6.133 -3.528 520 HD1 TYR 66 HD1 TYR 66 -10.019 5.665 -4.452 521 HD2 TYR 66 HD2 TYR 66 -13.436 3.496 -5.755 522 HE1 TYR 66 HE1 TYR 66 -8.758 4.854 -6.401 523 HE2 TYR 66 HE2 TYR 66 -12.184 2.678 -7.703 524 HH TYR 66 HH TYR 66 -8.806 2.986 -7.977 525 H GLU 67 HN GLU 67 -11.461 2.070 -1.715 526 HA GLU 67 HA GLU 67 -12.476 0.253 -3.570 527 HB2 GLU 67 HB2 GLU 67 -11.775 -0.298 -0.681 528 HB3 GLU 67 HB1 GLU 67 -11.854 -1.484 -1.977 529 HG2 GLU 67 HG2 GLU 67 -10.013 -0.342 -3.121 530 HG3 GLU 67 HG1 GLU 67 -9.917 0.811 -1.791 531 H GLN 68 HN GLN 68 -13.647 1.008 -0.316 532 HA GLN 68 HA GLN 68 -16.341 1.118 -1.162 533 HB2 GLN 68 HB2 GLN 68 -16.138 -1.339 -1.088 534 HB3 GLN 68 HB1 GLN 68 -15.598 -1.243 0.583 535 HG2 GLN 68 HG2 GLN 68 -17.964 -1.894 0.359 536 HG3 GLN 68 HG1 GLN 68 -17.737 -0.416 1.290 537 HE21 GLN 68 HE21 GLN 68 -18.479 1.521 0.475 538 HE22 GLN 68 HE22 GLN 68 -19.523 1.621 -0.899 539 HA PRO 69 HA PRO 69 -15.270 3.795 2.406 540 HB2 PRO 69 HB2 PRO 69 -17.708 5.105 1.316 541 HB3 PRO 69 HB1 PRO 69 -16.163 5.821 1.791 542 HG2 PRO 69 HG2 PRO 69 -16.795 5.538 -0.780 543 HG3 PRO 69 HG1 PRO 69 -15.137 5.261 -0.214 544 HD2 PRO 69 HD2 PRO 69 -17.247 3.274 -0.950 545 HD3 PRO 69 HD1 PRO 69 -15.497 3.224 -1.247 546 H PHE 70 HN PHE 70 -16.001 3.451 4.385 547 HA PHE 70 HA PHE 70 -17.223 2.666 6.124 548 HB2 PHE 70 HB2 PHE 70 -19.558 3.484 4.382 549 HB3 PHE 70 HB1 PHE 70 -19.662 3.083 6.093 550 HD1 PHE 70 HD1 PHE 70 -18.858 5.620 3.658 551 HD2 PHE 70 HD2 PHE 70 -18.542 4.546 7.763 552 HE1 PHE 70 HE1 PHE 70 -18.371 7.963 4.228 553 HE2 PHE 70 HE2 PHE 70 -18.058 6.888 8.342 554 HZ PHE 70 HZ PHE 70 -17.971 8.600 6.573 555 H LYS 71 HN LYS 71 -16.226 0.711 4.637 556 HA LYS 71 HA LYS 71 -18.172 -1.189 3.746 557 HB2 LYS 71 HB2 LYS 71 -15.587 -0.927 3.202 558 HB3 LYS 71 HB1 LYS 71 -15.415 -1.994 4.586 559 HG2 LYS 71 HG2 LYS 71 -16.974 -2.576 2.077 560 HG3 LYS 71 HG1 LYS 71 -15.399 -3.239 2.504 561 HD2 LYS 71 HD2 LYS 71 -16.386 -4.363 4.431 562 HD3 LYS 71 HD1 LYS 71 -17.961 -3.670 4.040 563 HE2 LYS 71 HE2 LYS 71 -16.375 -5.594 2.347 564 HE3 LYS 71 HE1 LYS 71 -17.833 -5.961 3.258 565 HZ1 LYS 71 HZ1 LYS 71 -19.051 -4.422 1.854 566 HZ2 LYS 71 HZ2 LYS 71 -18.322 -5.632 0.931 567 HZ3 LYS 71 HZ3 LYS 71 -17.651 -4.084 0.967 568 H HIS 72 HN HIS 72 -19.528 -2.117 5.165 569 HA HIS 72 HA HIS 72 -18.581 -2.532 7.915 570 HB2 HIS 72 HB2 HIS 72 -21.431 -2.441 6.904 571 HB3 HIS 72 HB1 HIS 72 -20.925 -2.541 8.584 572 HD1 HIS 72 HD1 HIS 72 -18.969 -0.317 8.912 573 HD2 HIS 72 HD2 HIS 72 -22.352 0.060 6.523 574 HE1 HIS 72 HE1 HIS 72 -19.377 2.156 8.698 575 HE2 HIS 72 HE2 HIS 72 -21.507 2.354 7.364 576 H ILE 73 HN ILE 73 -19.501 -4.415 9.045 577 HA ILE 73 HA ILE 73 -19.427 -6.646 9.354 578 HB ILE 73 HB ILE 73 -21.799 -6.217 8.821 579 HG12 ILE 73 HG12 ILE 73 -20.794 -8.930 7.942 580 HG13 ILE 73 HG11 ILE 73 -21.045 -8.420 9.608 581 HG21 ILE 73 HG21 ILE 73 -21.636 -5.572 6.492 582 HG22 ILE 73 HG22 ILE 73 -22.743 -6.934 6.681 583 HG23 ILE 73 HG23 ILE 73 -21.114 -7.200 6.058 584 HD11 ILE 73 HD11 ILE 73 -23.433 -8.180 9.169 585 HD12 ILE 73 HD12 ILE 73 -22.865 -9.816 8.833 586 HD13 ILE 73 HD13 ILE 73 -23.176 -8.699 7.503 587 H ASN 74 HN ASN 74 -17.254 -5.991 7.934 588 HA ASN 74 HA ASN 74 -16.299 -8.457 7.141 589 HB2 ASN 74 HB2 ASN 74 -17.706 -8.235 5.127 590 HB3 ASN 74 HB1 ASN 74 -16.910 -6.712 4.746 591 HD21 ASN 74 HD21 ASN 74 -16.227 -7.539 2.756 592 HD22 ASN 74 HD22 ASN 74 -14.915 -8.652 2.637 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -5.562 14.923 -2.968 2 H2 MET 1 HT2 MET 1 -6.082 14.530 -4.523 3 H3 MET 1 HT3 MET 1 -6.291 16.099 -3.939 4 HA MET 1 HA MET 1 -4.465 15.996 -5.494 5 HB2 MET 1 HB2 MET 1 -4.425 17.592 -3.586 6 HB3 MET 1 HB1 MET 1 -3.529 16.407 -2.646 7 HG2 MET 1 HG2 MET 1 -2.068 18.118 -3.580 8 HG3 MET 1 HG1 MET 1 -1.686 16.517 -4.213 9 HE1 MET 1 HE1 MET 1 -0.280 17.549 -6.221 10 HE2 MET 1 HE2 MET 1 -0.586 19.147 -5.543 11 HE3 MET 1 HE3 MET 1 -0.879 18.845 -7.254 12 H ALA 2 HN ALA 2 -3.567 14.332 -6.479 13 HA ALA 2 HA ALA 2 -2.942 11.889 -5.220 14 HB1 ALA 2 HB1 ALA 2 -2.064 12.867 -7.933 15 HB2 ALA 2 HB2 ALA 2 -3.619 12.116 -7.576 16 HB3 ALA 2 HB3 ALA 2 -2.130 11.193 -7.389 17 H SER 3 HN SER 3 -0.850 14.523 -6.363 18 HA SER 3 HA SER 3 1.584 13.200 -5.863 19 HB2 SER 3 HB2 SER 3 1.360 15.237 -7.276 20 HB3 SER 3 HB1 SER 3 1.064 16.180 -5.817 21 HG SER 3 HG SER 3 3.275 14.775 -5.418 22 H ASP 4 HN ASP 4 -0.511 15.144 -3.828 23 HA ASP 4 HA ASP 4 1.277 15.381 -1.639 24 HB2 ASP 4 HB2 ASP 4 -0.617 16.883 -1.805 25 HB3 ASP 4 HB1 ASP 4 -1.742 15.530 -1.762 26 H MET 5 HN MET 5 -1.281 13.107 -2.476 27 HA MET 5 HA MET 5 -1.196 11.592 -0.109 28 HB2 MET 5 HB2 MET 5 -2.984 11.591 -1.926 29 HB3 MET 5 HB1 MET 5 -1.924 10.525 -2.837 30 HG2 MET 5 HG2 MET 5 -3.611 9.260 -1.643 31 HG3 MET 5 HG1 MET 5 -2.000 8.894 -1.027 32 HE1 MET 5 HE1 MET 5 -4.714 8.154 0.495 33 HE2 MET 5 HE2 MET 5 -4.304 8.594 2.152 34 HE3 MET 5 HE3 MET 5 -3.119 7.768 1.140 35 H GLU 6 HN GLU 6 0.599 11.378 -3.136 36 HA GLU 6 HA GLU 6 1.944 8.960 -2.670 37 HB2 GLU 6 HB2 GLU 6 2.012 9.889 -4.845 38 HB3 GLU 6 HB1 GLU 6 2.667 11.413 -4.266 39 HG2 GLU 6 HG2 GLU 6 4.751 10.190 -3.658 40 HG3 GLU 6 HG1 GLU 6 4.070 8.761 -4.431 41 H GLU 7 HN GLU 7 2.736 12.275 -1.737 42 HA GLU 7 HA GLU 7 5.246 11.866 -0.599 43 HB2 GLU 7 HB2 GLU 7 3.057 13.729 0.341 44 HB3 GLU 7 HB1 GLU 7 4.758 13.856 0.763 45 HG2 GLU 7 HG2 GLU 7 3.656 14.082 -2.026 46 HG3 GLU 7 HG1 GLU 7 4.057 15.440 -0.978 47 H LYS 8 HN LYS 8 2.038 11.680 0.867 48 HA LYS 8 HA LYS 8 2.817 10.971 3.456 49 HB2 LYS 8 HB2 LYS 8 0.299 10.640 1.890 50 HB3 LYS 8 HB1 LYS 8 0.445 9.830 3.437 51 HG2 LYS 8 HG2 LYS 8 -0.704 11.956 3.613 52 HG3 LYS 8 HG1 LYS 8 0.807 11.963 4.512 53 HD2 LYS 8 HD2 LYS 8 1.898 13.204 2.751 54 HD3 LYS 8 HD1 LYS 8 0.446 13.108 1.753 55 HE2 LYS 8 HE2 LYS 8 0.554 14.446 4.448 56 HE3 LYS 8 HE1 LYS 8 0.776 15.297 2.920 57 HZ1 LYS 8 HZ1 LYS 8 -1.509 15.405 3.802 58 HZ2 LYS 8 HZ2 LYS 8 -1.647 13.731 3.621 59 HZ3 LYS 8 HZ3 LYS 8 -1.428 14.716 2.257 60 H PHE 9 HN PHE 9 1.999 8.907 0.674 61 HA PHE 9 HA PHE 9 2.271 6.447 2.011 62 HB2 PHE 9 HB2 PHE 9 2.566 7.184 -0.897 63 HB3 PHE 9 HB1 PHE 9 2.732 5.530 -0.324 64 HD1 PHE 9 HD1 PHE 9 0.597 7.409 -2.037 65 HD2 PHE 9 HD2 PHE 9 0.639 5.169 1.579 66 HE1 PHE 9 HE1 PHE 9 -1.838 7.109 -2.201 67 HE2 PHE 9 HE2 PHE 9 -1.797 4.867 1.425 68 HZ PHE 9 HZ PHE 9 -3.038 5.837 -0.463 69 H ARG 10 HN ARG 10 4.607 8.420 0.243 70 HA ARG 10 HA ARG 10 6.773 6.649 0.329 71 HB2 ARG 10 HB2 ARG 10 6.819 8.590 -1.099 72 HB3 ARG 10 HB1 ARG 10 6.688 9.665 0.284 73 HG2 ARG 10 HG2 ARG 10 8.899 8.990 1.041 74 HG3 ARG 10 HG1 ARG 10 9.029 7.867 -0.314 75 HD2 ARG 10 HD2 ARG 10 8.783 10.865 -0.489 76 HD3 ARG 10 HD1 ARG 10 10.235 9.917 -0.796 77 HE ARG 10 HE ARG 10 9.096 8.967 -2.728 78 HH11 ARG 10 HH11 ARG 10 7.750 11.890 -1.345 79 HH12 ARG 10 HH12 ARG 10 6.918 12.359 -2.796 80 HH21 ARG 10 HH21 ARG 10 8.016 9.565 -4.637 81 HH22 ARG 10 HH22 ARG 10 7.049 11.007 -4.676 82 H GLU 11 HN GLU 11 5.791 9.187 2.557 83 HA GLU 11 HA GLU 11 7.981 9.006 4.308 84 HB2 GLU 11 HB2 GLU 11 6.408 10.883 4.185 85 HB3 GLU 11 HB1 GLU 11 5.191 9.870 4.958 86 HG2 GLU 11 HG2 GLU 11 6.192 11.211 6.611 87 HG3 GLU 11 HG1 GLU 11 6.742 9.564 6.851 88 H ALA 12 HN ALA 12 4.780 7.549 4.435 89 HA ALA 12 HA ALA 12 5.183 6.147 6.858 90 HB1 ALA 12 HB1 ALA 12 3.232 5.543 4.645 91 HB2 ALA 12 HB2 ALA 12 2.960 6.669 5.975 92 HB3 ALA 12 HB3 ALA 12 3.150 4.946 6.302 93 H PHE 13 HN PHE 13 5.690 5.288 3.475 94 HA PHE 13 HA PHE 13 6.145 2.551 3.771 95 HB2 PHE 13 HB2 PHE 13 5.965 3.728 1.582 96 HB3 PHE 13 HB1 PHE 13 7.554 4.429 1.859 97 HD1 PHE 13 HD1 PHE 13 5.777 1.212 1.452 98 HD2 PHE 13 HD2 PHE 13 9.494 3.267 1.251 99 HE1 PHE 13 HE1 PHE 13 6.804 -0.763 0.422 100 HE2 PHE 13 HE2 PHE 13 10.531 1.289 0.214 101 HZ PHE 13 HZ PHE 13 9.186 -0.729 -0.201 102 H ILE 14 HN ILE 14 8.381 5.279 3.986 103 HA ILE 14 HA ILE 14 10.727 3.827 4.425 104 HB ILE 14 HB ILE 14 10.003 6.594 5.386 105 HG12 ILE 14 HG12 ILE 14 11.614 5.710 2.983 106 HG13 ILE 14 HG11 ILE 14 9.927 6.206 2.920 107 HG21 ILE 14 HG21 ILE 14 12.734 5.348 5.115 108 HG22 ILE 14 HG22 ILE 14 11.876 5.562 6.640 109 HG23 ILE 14 HG23 ILE 14 12.363 6.974 5.696 110 HD11 ILE 14 HD11 ILE 14 12.232 7.931 3.787 111 HD12 ILE 14 HD12 ILE 14 10.540 8.425 3.696 112 HD13 ILE 14 HD13 ILE 14 11.415 7.995 2.225 113 H LEU 15 HN LEU 15 8.237 4.910 6.676 114 HA LEU 15 HA LEU 15 9.574 4.434 9.078 115 HB2 LEU 15 HB2 LEU 15 6.645 4.162 8.427 116 HB3 LEU 15 HB1 LEU 15 7.302 4.112 10.050 117 HG LEU 15 HG LEU 15 7.492 6.474 8.181 118 HD11 LEU 15 HD11 LEU 15 5.759 6.044 10.608 119 HD12 LEU 15 HD12 LEU 15 5.202 6.052 8.935 120 HD13 LEU 15 HD13 LEU 15 5.864 7.522 9.650 121 HD21 LEU 15 HD21 LEU 15 8.252 7.668 10.199 122 HD22 LEU 15 HD22 LEU 15 9.365 6.390 9.714 123 HD23 LEU 15 HD23 LEU 15 8.272 6.139 11.076 124 H PHE 16 HN PHE 16 7.591 2.239 7.119 125 HA PHE 16 HA PHE 16 8.097 -0.008 8.833 126 HB2 PHE 16 HB2 PHE 16 6.891 0.222 6.072 127 HB3 PHE 16 HB1 PHE 16 7.076 -1.312 6.911 128 HD1 PHE 16 HD1 PHE 16 5.701 2.100 7.605 129 HD2 PHE 16 HD2 PHE 16 5.222 -2.112 8.001 130 HE1 PHE 16 HE1 PHE 16 3.527 2.454 8.701 131 HE2 PHE 16 HE2 PHE 16 3.040 -1.764 9.096 132 HZ PHE 16 HZ PHE 16 2.196 0.522 9.448 133 H SER 17 HN SER 17 9.598 1.415 6.048 134 HA SER 17 HA SER 17 11.166 -0.965 5.463 135 HB2 SER 17 HB2 SER 17 11.149 1.715 4.063 136 HB3 SER 17 HB1 SER 17 11.887 0.226 3.472 137 HG SER 17 HG SER 17 9.129 0.744 3.892 138 H SER 18 HN SER 18 11.500 1.217 7.759 139 HA SER 18 HA SER 18 14.037 2.310 7.571 140 HB2 SER 18 HB2 SER 18 12.729 1.206 10.065 141 HB3 SER 18 HB1 SER 18 14.004 2.425 10.001 142 HG SER 18 HG SER 18 12.069 3.278 8.433 143 H CYS 19 HN CYS 19 13.126 -0.996 8.031 144 HA CYS 19 HA CYS 19 15.830 -1.776 8.763 145 HB2 CYS 19 HB2 CYS 19 14.795 -4.103 8.713 146 HB3 CYS 19 HB1 CYS 19 14.169 -2.997 9.928 147 HG CYS 19 HG CYS 19 12.020 -4.465 8.973 148 H SER 20 HN SER 20 13.527 -2.901 6.292 149 HA SER 20 HA SER 20 15.786 -3.231 4.434 150 HB2 SER 20 HB2 SER 20 14.230 -4.870 3.292 151 HB3 SER 20 HB1 SER 20 14.737 -5.349 4.910 152 HG SER 20 HG SER 20 12.251 -4.281 4.075 153 H ASP 21 HN ASP 21 15.696 -2.223 2.445 154 HA ASP 21 HA ASP 21 13.829 -0.046 2.230 155 HB2 ASP 21 HB2 ASP 21 15.059 0.554 0.176 156 HB3 ASP 21 HB1 ASP 21 16.135 0.324 1.548 157 H HIS 22 HN HIS 22 14.074 -3.235 0.973 158 HA HIS 22 HA HIS 22 11.671 -2.766 -0.657 159 HB2 HIS 22 HB2 HIS 22 13.389 -5.252 -0.368 160 HB3 HIS 22 HB1 HIS 22 11.977 -5.109 -1.411 161 HD1 HIS 22 HD1 HIS 22 15.333 -5.367 -1.898 162 HD2 HIS 22 HD2 HIS 22 12.625 -2.427 -3.035 163 HE1 HIS 22 HE1 HIS 22 16.386 -4.201 -3.862 164 HE2 HIS 22 HE2 HIS 22 14.669 -2.516 -4.618 165 H ILE 23 HN ILE 23 9.681 -3.748 -0.016 166 HA ILE 23 HA ILE 23 9.782 -4.331 2.853 167 HB ILE 23 HB ILE 23 8.448 -2.385 2.167 168 HG12 ILE 23 HG12 ILE 23 6.686 -4.561 3.286 169 HG13 ILE 23 HG11 ILE 23 7.959 -3.772 4.212 170 HG21 ILE 23 HG21 ILE 23 7.623 -3.109 0.016 171 HG22 ILE 23 HG22 ILE 23 6.255 -2.728 1.064 172 HG23 ILE 23 HG23 ILE 23 6.702 -4.409 0.772 173 HD11 ILE 23 HD11 ILE 23 5.576 -2.406 2.988 174 HD12 ILE 23 HD12 ILE 23 6.840 -1.632 3.944 175 HD13 ILE 23 HD13 ILE 23 5.773 -2.824 4.689 176 H GLU 24 HN GLU 24 9.372 -6.197 3.616 177 HA GLU 24 HA GLU 24 8.670 -8.438 2.024 178 HB2 GLU 24 HB2 GLU 24 8.906 -8.051 5.010 179 HB3 GLU 24 HB1 GLU 24 8.656 -9.611 4.233 180 HG2 GLU 24 HG2 GLU 24 10.706 -9.399 3.053 181 HG3 GLU 24 HG1 GLU 24 10.969 -7.791 3.698 182 H MET 25 HN MET 25 6.849 -9.709 2.150 183 HA MET 25 HA MET 25 4.462 -8.335 1.929 184 HB2 MET 25 HB2 MET 25 4.959 -11.272 2.368 185 HB3 MET 25 HB1 MET 25 3.389 -10.597 1.958 186 HG2 MET 25 HG2 MET 25 5.869 -10.340 0.279 187 HG3 MET 25 HG1 MET 25 4.588 -11.520 0.022 188 HE1 MET 25 HE1 MET 25 5.636 -9.526 -2.231 189 HE2 MET 25 HE2 MET 25 4.105 -9.037 -2.959 190 HE3 MET 25 HE3 MET 25 4.358 -10.716 -2.483 191 H TYR 26 HN TYR 26 5.910 -9.812 4.776 192 HA TYR 26 HA TYR 26 3.445 -9.871 6.216 193 HB2 TYR 26 HB2 TYR 26 4.747 -10.486 8.131 194 HB3 TYR 26 HB1 TYR 26 5.312 -11.383 6.747 195 HD1 TYR 26 HD1 TYR 26 6.113 -8.560 9.007 196 HD2 TYR 26 HD2 TYR 26 7.582 -11.276 6.087 197 HE1 TYR 26 HE1 TYR 26 8.414 -7.901 9.554 198 HE2 TYR 26 HE2 TYR 26 9.877 -10.624 6.627 199 HH TYR 26 HH TYR 26 11.088 -8.787 7.598 200 H LYS 27 HN LYS 27 6.061 -7.553 5.903 201 HA LYS 27 HA LYS 27 4.849 -5.739 7.816 202 HB2 LYS 27 HB2 LYS 27 7.337 -5.745 6.165 203 HB3 LYS 27 HB1 LYS 27 6.715 -4.197 6.726 204 HG2 LYS 27 HG2 LYS 27 7.375 -6.534 8.501 205 HG3 LYS 27 HG1 LYS 27 8.448 -5.171 8.187 206 HD2 LYS 27 HD2 LYS 27 6.915 -3.646 9.208 207 HD3 LYS 27 HD1 LYS 27 5.680 -4.897 9.344 208 HE2 LYS 27 HE2 LYS 27 7.207 -6.151 10.854 209 HE3 LYS 27 HE1 LYS 27 8.316 -4.780 10.798 210 HZ1 LYS 27 HZ1 LYS 27 5.491 -4.540 11.669 211 HZ2 LYS 27 HZ2 LYS 27 6.735 -3.407 11.852 212 HZ3 LYS 27 HZ3 LYS 27 6.767 -4.839 12.744 213 H PHE 28 HN PHE 28 4.749 -6.438 4.505 214 HA PHE 28 HA PHE 28 4.101 -3.913 3.443 215 HB2 PHE 28 HB2 PHE 28 4.960 -5.606 2.011 216 HB3 PHE 28 HB1 PHE 28 3.704 -6.737 2.487 217 HD1 PHE 28 HD1 PHE 28 4.154 -3.455 0.793 218 HD2 PHE 28 HD2 PHE 28 1.873 -7.024 1.167 219 HE1 PHE 28 HE1 PHE 28 2.815 -2.794 -1.152 220 HE2 PHE 28 HE2 PHE 28 0.521 -6.375 -0.770 221 HZ PHE 28 HZ PHE 28 0.973 -4.262 -1.939 222 H PHE 29 HN PHE 29 2.047 -6.623 4.522 223 HA PHE 29 HA PHE 29 -0.339 -5.376 3.617 224 HB2 PHE 29 HB2 PHE 29 0.055 -7.877 4.096 225 HB3 PHE 29 HB1 PHE 29 -0.298 -7.469 5.774 226 HD1 PHE 29 HD1 PHE 29 -2.507 -6.597 6.395 227 HD2 PHE 29 HD2 PHE 29 -1.694 -7.990 2.436 228 HE1 PHE 29 HE1 PHE 29 -4.918 -6.717 5.944 229 HE2 PHE 29 HE2 PHE 29 -4.109 -8.115 1.997 230 HZ PHE 29 HZ PHE 29 -5.722 -7.478 3.745 231 H GLU 30 HN GLU 30 1.271 -5.487 6.785 232 HA GLU 30 HA GLU 30 -0.727 -4.000 8.125 233 HB2 GLU 30 HB2 GLU 30 1.084 -3.493 9.801 234 HB3 GLU 30 HB1 GLU 30 0.733 -5.188 9.525 235 HG2 GLU 30 HG2 GLU 30 2.701 -5.291 8.023 236 HG3 GLU 30 HG1 GLU 30 3.079 -3.632 8.480 237 H LEU 31 HN LEU 31 1.999 -3.062 6.154 238 HA LEU 31 HA LEU 31 1.942 -0.313 6.655 239 HB2 LEU 31 HB2 LEU 31 3.727 -1.218 5.362 240 HB3 LEU 31 HB1 LEU 31 2.618 -1.900 4.190 241 HG LEU 31 HG LEU 31 1.998 0.456 3.543 242 HD11 LEU 31 HD11 LEU 31 4.413 1.130 5.213 243 HD12 LEU 31 HD12 LEU 31 2.747 1.603 5.547 244 HD13 LEU 31 HD13 LEU 31 3.573 2.231 4.121 245 HD21 LEU 31 HD21 LEU 31 3.546 -0.957 2.251 246 HD22 LEU 31 HD22 LEU 31 4.892 -0.293 3.179 247 HD23 LEU 31 HD23 LEU 31 3.930 0.759 2.140 248 H MET 32 HN MET 32 -0.150 -2.359 4.751 249 HA MET 32 HA MET 32 -1.357 -0.073 3.430 250 HB2 MET 32 HB2 MET 32 -2.079 -2.994 3.226 251 HB3 MET 32 HB1 MET 32 -2.663 -1.712 2.182 252 HG2 MET 32 HG2 MET 32 -0.323 -1.327 1.455 253 HG3 MET 32 HG1 MET 32 0.144 -2.752 2.382 254 HE1 MET 32 HE1 MET 32 -2.185 -4.689 2.077 255 HE2 MET 32 HE2 MET 32 -0.570 -5.291 1.694 256 HE3 MET 32 HE3 MET 32 -1.905 -5.571 0.576 257 H ASN 33 HN ASN 33 -2.230 -2.431 5.912 258 HA ASN 33 HA ASN 33 -4.960 -1.677 5.926 259 HB2 ASN 33 HB2 ASN 33 -5.313 -3.127 7.676 260 HB3 ASN 33 HB1 ASN 33 -3.882 -3.824 6.941 261 HD21 ASN 33 HD21 ASN 33 -1.982 -1.998 8.079 262 HD22 ASN 33 HD22 ASN 33 -1.912 -2.340 9.769 263 H SER 34 HN SER 34 -2.152 -0.208 7.109 264 HA SER 34 HA SER 34 -3.249 1.286 9.260 265 HB2 SER 34 HB2 SER 34 -0.846 1.836 7.503 266 HB3 SER 34 HB1 SER 34 -1.227 2.711 8.986 267 HG SER 34 HG SER 34 -0.307 0.084 8.639 268 H PHE 35 HN PHE 35 -3.043 1.802 5.793 269 HA PHE 35 HA PHE 35 -4.217 4.463 6.009 270 HB2 PHE 35 HB2 PHE 35 -3.231 2.822 3.677 271 HB3 PHE 35 HB1 PHE 35 -4.086 4.344 3.463 272 HD1 PHE 35 HD1 PHE 35 -3.023 6.427 3.873 273 HD2 PHE 35 HD2 PHE 35 -0.999 2.777 4.702 274 HE1 PHE 35 HE1 PHE 35 -0.906 7.657 4.084 275 HE2 PHE 35 HE2 PHE 35 1.123 4.000 4.920 276 HZ PHE 35 HZ PHE 35 1.172 6.444 4.610 277 H GLY 36 HN GLY 36 -5.358 1.412 6.152 278 HA2 GLY 36 HA2 GLY 36 -7.539 0.627 6.033 279 HA3 GLY 36 HA1 GLY 36 -8.021 2.169 5.335 280 H ILE 37 HN ILE 37 -5.339 0.549 3.956 281 HA ILE 37 HA ILE 37 -6.817 0.136 1.491 282 HB ILE 37 HB ILE 37 -3.887 -0.202 2.157 283 HG12 ILE 37 HG12 ILE 37 -5.277 1.938 0.541 284 HG13 ILE 37 HG11 ILE 37 -4.791 2.125 2.222 285 HG21 ILE 37 HG21 ILE 37 -3.526 -0.353 -0.263 286 HG22 ILE 37 HG22 ILE 37 -5.271 -0.329 -0.520 287 HG23 ILE 37 HG23 ILE 37 -4.523 -1.681 0.332 288 HD11 ILE 37 HD11 ILE 37 -2.476 1.882 1.616 289 HD12 ILE 37 HD12 ILE 37 -3.220 3.155 0.651 290 HD13 ILE 37 HD13 ILE 37 -2.917 1.571 -0.061 291 H ILE 38 HN ILE 38 -7.628 -1.776 0.927 292 HA ILE 38 HA ILE 38 -6.680 -4.161 2.343 293 HB ILE 38 HB ILE 38 -8.790 -5.221 1.390 294 HG12 ILE 38 HG12 ILE 38 -9.553 -2.314 1.044 295 HG13 ILE 38 HG11 ILE 38 -9.249 -3.440 -0.273 296 HG21 ILE 38 HG21 ILE 38 -10.171 -4.306 3.215 297 HG22 ILE 38 HG22 ILE 38 -8.977 -3.027 3.443 298 HG23 ILE 38 HG23 ILE 38 -8.530 -4.711 3.723 299 HD11 ILE 38 HD11 ILE 38 -11.443 -3.678 1.772 300 HD12 ILE 38 HD12 ILE 38 -11.143 -4.793 0.439 301 HD13 ILE 38 HD13 ILE 38 -11.627 -3.129 0.105 302 H LEU 39 HN LEU 39 -6.087 -5.971 1.252 303 HA LEU 39 HA LEU 39 -5.916 -5.814 -1.668 304 HB2 LEU 39 HB2 LEU 39 -3.766 -5.194 -0.222 305 HB3 LEU 39 HB1 LEU 39 -3.602 -6.938 -0.174 306 HG LEU 39 HG LEU 39 -3.861 -5.423 -2.767 307 HD11 LEU 39 HD11 LEU 39 -1.478 -5.463 -2.965 308 HD12 LEU 39 HD12 LEU 39 -1.322 -6.301 -1.421 309 HD13 LEU 39 HD13 LEU 39 -1.902 -4.634 -1.464 310 HD21 LEU 39 HD21 LEU 39 -2.617 -8.085 -2.185 311 HD22 LEU 39 HD22 LEU 39 -2.971 -7.375 -3.759 312 HD23 LEU 39 HD23 LEU 39 -4.290 -7.885 -2.704 313 H THR 40 HN THR 40 -6.752 -7.639 -2.526 314 HA THR 40 HA THR 40 -7.504 -9.740 -0.700 315 HB THR 40 HB THR 40 -8.449 -10.772 -2.880 316 HG1 THR 40 HG1 THR 40 -8.193 -9.641 -4.636 317 HG21 THR 40 HG21 THR 40 -9.501 -8.165 -1.785 318 HG22 THR 40 HG22 THR 40 -9.828 -9.777 -1.149 319 HG23 THR 40 HG23 THR 40 -10.426 -9.320 -2.743 320 H ASN 41 HN ASN 41 -7.195 -12.060 -1.328 321 HA ASN 41 HA ASN 41 -4.420 -12.552 -1.369 322 HB2 ASN 41 HB2 ASN 41 -6.078 -14.029 -0.265 323 HB3 ASN 41 HB1 ASN 41 -6.645 -14.538 -1.852 324 HD21 ASN 41 HD21 ASN 41 -4.045 -14.678 0.446 325 HD22 ASN 41 HD22 ASN 41 -3.215 -16.015 -0.277 326 H ASP 42 HN ASP 42 -6.894 -12.759 -3.876 327 HA ASP 42 HA ASP 42 -5.319 -14.029 -5.835 328 HB2 ASP 42 HB2 ASP 42 -6.970 -13.299 -7.446 329 HB3 ASP 42 HB1 ASP 42 -7.799 -13.784 -5.971 330 H GLU 43 HN GLU 43 -5.804 -10.610 -5.056 331 HA GLU 43 HA GLU 43 -4.092 -9.656 -7.115 332 HB2 GLU 43 HB2 GLU 43 -5.254 -8.419 -4.643 333 HB3 GLU 43 HB1 GLU 43 -4.049 -7.558 -5.586 334 HG2 GLU 43 HG2 GLU 43 -5.610 -8.060 -7.585 335 HG3 GLU 43 HG1 GLU 43 -6.822 -8.363 -6.342 336 H LYS 44 HN LYS 44 -3.619 -10.460 -3.714 337 HA LYS 44 HA LYS 44 -0.975 -9.683 -3.408 338 HB2 LYS 44 HB2 LYS 44 -2.620 -11.854 -2.167 339 HB3 LYS 44 HB1 LYS 44 -0.903 -11.745 -1.806 340 HG2 LYS 44 HG2 LYS 44 -1.288 -9.374 -1.137 341 HG3 LYS 44 HG1 LYS 44 -3.014 -9.670 -1.280 342 HD2 LYS 44 HD2 LYS 44 -2.397 -9.918 1.019 343 HD3 LYS 44 HD1 LYS 44 -2.798 -11.507 0.367 344 HE2 LYS 44 HE2 LYS 44 -0.791 -11.547 1.787 345 HE3 LYS 44 HE1 LYS 44 -0.455 -12.041 0.130 346 HZ1 LYS 44 HZ1 LYS 44 1.197 -10.492 1.118 347 HZ2 LYS 44 HZ2 LYS 44 0.006 -9.289 1.139 348 HZ3 LYS 44 HZ3 LYS 44 0.523 -9.947 -0.334 349 H ALA 45 HN ALA 45 -2.284 -12.631 -4.819 350 HA ALA 45 HA ALA 45 0.234 -13.862 -5.305 351 HB1 ALA 45 HB1 ALA 45 -2.401 -14.311 -6.703 352 HB2 ALA 45 HB2 ALA 45 -1.873 -15.119 -5.228 353 HB3 ALA 45 HB3 ALA 45 -1.002 -15.386 -6.739 354 H ALA 46 HN ALA 46 -1.290 -11.196 -6.688 355 HA ALA 46 HA ALA 46 -0.061 -11.624 -9.330 356 HB1 ALA 46 HB1 ALA 46 -1.513 -9.854 -10.132 357 HB2 ALA 46 HB2 ALA 46 -2.091 -9.558 -8.491 358 HB3 ALA 46 HB3 ALA 46 -2.458 -11.085 -9.293 359 H LEU 47 HN LEU 47 0.600 -10.141 -6.436 360 HA LEU 47 HA LEU 47 1.753 -7.706 -7.442 361 HB2 LEU 47 HB2 LEU 47 2.218 -9.000 -4.756 362 HB3 LEU 47 HB1 LEU 47 2.515 -7.329 -5.185 363 HG LEU 47 HG LEU 47 -0.138 -8.684 -4.767 364 HD11 LEU 47 HD11 LEU 47 1.025 -7.897 -2.789 365 HD12 LEU 47 HD12 LEU 47 -0.435 -6.959 -3.108 366 HD13 LEU 47 HD13 LEU 47 1.149 -6.287 -3.502 367 HD21 LEU 47 HD21 LEU 47 -0.279 -7.271 -6.776 368 HD22 LEU 47 HD22 LEU 47 0.303 -5.902 -5.826 369 HD23 LEU 47 HD23 LEU 47 -1.244 -6.660 -5.432 370 HA PRO 48 HA PRO 48 5.832 -9.093 -8.529 371 HB2 PRO 48 HB2 PRO 48 6.841 -6.783 -6.960 372 HB3 PRO 48 HB1 PRO 48 7.125 -7.202 -8.652 373 HG2 PRO 48 HG2 PRO 48 5.501 -5.195 -8.003 374 HG3 PRO 48 HG1 PRO 48 5.118 -6.278 -9.355 375 HD2 PRO 48 HD2 PRO 48 3.982 -6.223 -6.589 376 HD3 PRO 48 HD1 PRO 48 3.167 -6.511 -8.140 377 H ASN 49 HN ASN 49 7.542 -10.210 -7.669 378 HA ASN 49 HA ASN 49 7.162 -11.339 -5.106 379 HB2 ASN 49 HB2 ASN 49 9.467 -11.510 -7.049 380 HB3 ASN 49 HB1 ASN 49 9.395 -12.431 -5.553 381 HD21 ASN 49 HD21 ASN 49 7.959 -14.111 -5.372 382 HD22 ASN 49 HD22 ASN 49 7.141 -14.784 -6.737 383 H ASP 50 HN ASP 50 9.023 -8.662 -6.256 384 HA ASP 50 HA ASP 50 9.862 -8.166 -3.484 385 HB2 ASP 50 HB2 ASP 50 11.914 -7.117 -4.259 386 HB3 ASP 50 HB1 ASP 50 11.831 -8.758 -4.881 387 H ILE 51 HN ILE 51 8.918 -6.420 -2.692 388 HA ILE 51 HA ILE 51 7.775 -4.490 -4.588 389 HB ILE 51 HB ILE 51 6.976 -5.056 -1.730 390 HG12 ILE 51 HG12 ILE 51 5.587 -5.645 -4.355 391 HG13 ILE 51 HG11 ILE 51 6.362 -6.835 -3.315 392 HG21 ILE 51 HG21 ILE 51 6.633 -2.707 -2.297 393 HG22 ILE 51 HG22 ILE 51 5.088 -3.548 -2.162 394 HG23 ILE 51 HG23 ILE 51 5.755 -3.176 -3.752 395 HD11 ILE 51 HD11 ILE 51 4.741 -6.374 -1.567 396 HD12 ILE 51 HD12 ILE 51 3.945 -6.853 -3.067 397 HD13 ILE 51 HD13 ILE 51 3.976 -5.157 -2.588 398 H ASN 52 HN ASN 52 8.551 -2.517 -4.693 399 HA ASN 52 HA ASN 52 10.116 -1.471 -2.424 400 HB2 ASN 52 HB2 ASN 52 11.405 -1.881 -4.568 401 HB3 ASN 52 HB1 ASN 52 10.397 -0.660 -5.331 402 HD21 ASN 52 HD21 ASN 52 12.084 0.698 -5.780 403 HD22 ASN 52 HD22 ASN 52 12.932 1.579 -4.555 404 H MET 53 HN MET 53 10.148 1.141 -2.767 405 HA MET 53 HA MET 53 7.617 2.060 -2.116 406 HB2 MET 53 HB2 MET 53 9.689 3.254 -1.579 407 HB3 MET 53 HB1 MET 53 9.933 3.612 -3.283 408 HG2 MET 53 HG2 MET 53 7.912 4.953 -3.309 409 HG3 MET 53 HG1 MET 53 7.621 4.562 -1.617 410 HE1 MET 53 HE1 MET 53 10.635 6.330 0.156 411 HE2 MET 53 HE2 MET 53 10.610 4.670 -0.436 412 HE3 MET 53 HE3 MET 53 9.191 5.340 0.370 413 H ASP 54 HN ASP 54 9.164 1.771 -5.246 414 HA ASP 54 HA ASP 54 7.580 3.493 -6.752 415 HB2 ASP 54 HB2 ASP 54 8.826 0.871 -7.607 416 HB3 ASP 54 HB1 ASP 54 8.210 2.104 -8.702 417 H TYR 55 HN TYR 55 7.086 -0.004 -6.137 418 HA TYR 55 HA TYR 55 4.601 0.032 -7.557 419 HB2 TYR 55 HB2 TYR 55 5.971 -2.049 -7.354 420 HB3 TYR 55 HB1 TYR 55 5.545 -2.108 -5.643 421 HD1 TYR 55 HD1 TYR 55 3.600 -3.222 -4.972 422 HD2 TYR 55 HD2 TYR 55 3.991 -1.969 -9.020 423 HE1 TYR 55 HE1 TYR 55 1.492 -4.338 -5.517 424 HE2 TYR 55 HE2 TYR 55 1.880 -3.092 -9.577 425 HH TYR 55 HH TYR 55 0.490 -4.946 -8.680 426 H TRP 56 HN TRP 56 5.565 0.439 -4.220 427 HA TRP 56 HA TRP 56 3.099 0.089 -2.985 428 HB2 TRP 56 HB2 TRP 56 5.091 0.373 -1.656 429 HB3 TRP 56 HB1 TRP 56 5.364 1.978 -2.318 430 HD1 TRP 56 HD1 TRP 56 5.083 3.519 -0.283 431 HE1 TRP 56 HE1 TRP 56 3.237 3.932 1.459 432 HE3 TRP 56 HE3 TRP 56 1.929 -0.296 -1.540 433 HZ2 TRP 56 HZ2 TRP 56 0.755 2.789 2.196 434 HZ3 TRP 56 HZ3 TRP 56 -0.161 -0.561 -0.280 435 HH2 TRP 56 HH2 TRP 56 -0.734 0.948 1.551 436 H LEU 57 HN LEU 57 4.531 3.036 -4.342 437 HA LEU 57 HA LEU 57 2.280 4.688 -3.899 438 HB2 LEU 57 HB2 LEU 57 4.341 4.922 -6.096 439 HB3 LEU 57 HB1 LEU 57 3.307 6.205 -5.493 440 HG LEU 57 HG LEU 57 5.384 4.806 -3.828 441 HD11 LEU 57 HD11 LEU 57 6.721 6.852 -4.120 442 HD12 LEU 57 HD12 LEU 57 5.548 7.423 -5.307 443 HD13 LEU 57 HD13 LEU 57 6.490 5.965 -5.629 444 HD21 LEU 57 HD21 LEU 57 3.718 7.286 -3.393 445 HD22 LEU 57 HD22 LEU 57 5.084 6.811 -2.378 446 HD23 LEU 57 HD23 LEU 57 3.656 5.779 -2.476 447 H ASN 58 HN ASN 58 3.403 2.922 -6.711 448 HA ASN 58 HA ASN 58 1.451 3.581 -8.548 449 HB2 ASN 58 HB2 ASN 58 3.490 2.358 -9.139 450 HB3 ASN 58 HB1 ASN 58 2.919 0.952 -8.252 451 HD21 ASN 58 HD21 ASN 58 2.630 2.833 -11.132 452 HD22 ASN 58 HD22 ASN 58 1.651 1.714 -12.012 453 H PHE 59 HN PHE 59 1.503 0.800 -6.329 454 HA PHE 59 HA PHE 59 -1.030 -0.214 -7.012 455 HB2 PHE 59 HB2 PHE 59 0.562 -1.547 -5.730 456 HB3 PHE 59 HB1 PHE 59 0.498 -0.394 -4.400 457 HD1 PHE 59 HD1 PHE 59 -1.663 -0.130 -3.132 458 HD2 PHE 59 HD2 PHE 59 -0.986 -3.293 -5.898 459 HE1 PHE 59 HE1 PHE 59 -3.537 -1.378 -2.150 460 HE2 PHE 59 HE2 PHE 59 -2.846 -4.559 -4.907 461 HZ PHE 59 HZ PHE 59 -4.139 -3.586 -3.044 462 H ALA 60 HN ALA 60 0.035 2.120 -4.595 463 HA ALA 60 HA ALA 60 -2.426 2.410 -3.270 464 HB1 ALA 60 HB1 ALA 60 -1.498 4.471 -2.369 465 HB2 ALA 60 HB2 ALA 60 -0.208 4.424 -3.572 466 HB3 ALA 60 HB3 ALA 60 -0.306 3.171 -2.333 467 H LYS 61 HN LYS 61 -1.005 4.135 -5.986 468 HA LYS 61 HA LYS 61 -3.074 6.042 -6.305 469 HB2 LYS 61 HB2 LYS 61 -1.218 5.017 -8.444 470 HB3 LYS 61 HB1 LYS 61 -2.021 6.579 -8.386 471 HG2 LYS 61 HG2 LYS 61 0.034 5.673 -6.391 472 HG3 LYS 61 HG1 LYS 61 0.407 6.605 -7.826 473 HD2 LYS 61 HD2 LYS 61 -1.482 7.481 -5.646 474 HD3 LYS 61 HD1 LYS 61 0.203 7.988 -5.782 475 HE2 LYS 61 HE2 LYS 61 -1.992 8.513 -7.782 476 HE3 LYS 61 HE1 LYS 61 -1.283 9.682 -6.672 477 HZ1 LYS 61 HZ1 LYS 61 -0.371 9.863 -8.915 478 HZ2 LYS 61 HZ2 LYS 61 0.192 8.273 -8.827 479 HZ3 LYS 61 HZ3 LYS 61 0.826 9.449 -7.794 480 H LYS 62 HN LYS 62 -2.589 2.790 -7.295 481 HA LYS 62 HA LYS 62 -4.429 2.821 -9.496 482 HB2 LYS 62 HB2 LYS 62 -2.413 1.460 -9.570 483 HB3 LYS 62 HB1 LYS 62 -2.924 0.602 -8.121 484 HG2 LYS 62 HG2 LYS 62 -4.640 -0.525 -9.275 485 HG3 LYS 62 HG1 LYS 62 -4.515 0.550 -10.670 486 HD2 LYS 62 HD2 LYS 62 -3.488 -1.615 -11.140 487 HD3 LYS 62 HD1 LYS 62 -2.286 -0.327 -11.157 488 HE2 LYS 62 HE2 LYS 62 -1.331 -2.182 -10.009 489 HE3 LYS 62 HE1 LYS 62 -1.706 -0.954 -8.804 490 HZ1 LYS 62 HZ1 LYS 62 -3.715 -2.182 -8.235 491 HZ2 LYS 62 HZ2 LYS 62 -2.345 -3.159 -8.057 492 HZ3 LYS 62 HZ3 LYS 62 -3.351 -3.352 -9.400 493 H HIS 63 HN HIS 63 -4.357 1.361 -6.275 494 HA HIS 63 HA HIS 63 -6.766 -0.075 -6.619 495 HB2 HIS 63 HB2 HIS 63 -6.441 -0.847 -4.486 496 HB3 HIS 63 HB1 HIS 63 -4.820 -0.285 -4.854 497 HD1 HIS 63 HD1 HIS 63 -7.495 0.069 -2.430 498 HD2 HIS 63 HD2 HIS 63 -4.252 2.324 -3.706 499 HE1 HIS 63 HE1 HIS 63 -7.123 1.778 -0.630 500 HE2 HIS 63 HE2 HIS 63 -5.266 3.244 -1.498 501 H TYR 64 HN TYR 64 -6.071 3.173 -5.618 502 HA TYR 64 HA TYR 64 -8.910 3.476 -4.910 503 HB2 TYR 64 HB2 TYR 64 -8.389 5.427 -3.603 504 HB3 TYR 64 HB1 TYR 64 -7.389 4.089 -3.086 505 HD1 TYR 64 HD1 TYR 64 -6.535 6.130 -6.069 506 HD2 TYR 64 HD2 TYR 64 -5.844 5.464 -1.928 507 HE1 TYR 64 HE1 TYR 64 -4.586 7.620 -6.159 508 HE2 TYR 64 HE2 TYR 64 -3.889 6.944 -2.011 509 HH TYR 64 HH TYR 64 -3.299 9.056 -4.516 510 H ASN 65 HN ASN 65 -8.970 6.327 -5.132 511 HA ASN 65 HA ASN 65 -9.558 7.918 -6.621 512 HB2 ASN 65 HB2 ASN 65 -7.202 7.658 -7.440 513 HB3 ASN 65 HB1 ASN 65 -7.783 6.478 -8.606 514 HD21 ASN 65 HD21 ASN 65 -7.125 7.693 -10.354 515 HD22 ASN 65 HD22 ASN 65 -7.927 9.147 -10.834 516 H TYR 66 HN TYR 66 -11.000 5.529 -6.231 517 HA TYR 66 HA TYR 66 -12.279 5.019 -8.798 518 HB2 TYR 66 HB2 TYR 66 -13.649 3.375 -7.507 519 HB3 TYR 66 HB1 TYR 66 -11.923 3.056 -7.433 520 HD1 TYR 66 HD1 TYR 66 -14.815 4.357 -5.526 521 HD2 TYR 66 HD2 TYR 66 -10.771 3.047 -5.354 522 HE1 TYR 66 HE1 TYR 66 -14.941 4.295 -3.075 523 HE2 TYR 66 HE2 TYR 66 -10.894 2.981 -2.897 524 HH TYR 66 HH TYR 66 -12.334 4.182 -1.097 525 H GLU 67 HN GLU 67 -14.414 5.577 -9.220 526 HA GLU 67 HA GLU 67 -15.371 7.800 -7.565 527 HB2 GLU 67 HB2 GLU 67 -16.037 7.028 -10.407 528 HB3 GLU 67 HB1 GLU 67 -16.717 8.411 -9.557 529 HG2 GLU 67 HG2 GLU 67 -14.436 9.321 -9.292 530 HG3 GLU 67 HG1 GLU 67 -13.820 7.975 -10.247 531 H GLN 68 HN GLN 68 -15.863 4.598 -7.979 532 HA GLN 68 HA GLN 68 -18.702 4.744 -7.226 533 HB2 GLN 68 HB2 GLN 68 -17.112 2.407 -8.301 534 HB3 GLN 68 HB1 GLN 68 -18.819 2.372 -7.880 535 HG2 GLN 68 HG2 GLN 68 -19.339 3.924 -9.636 536 HG3 GLN 68 HG1 GLN 68 -17.626 4.140 -10.000 537 HE21 GLN 68 HE21 GLN 68 -16.510 2.514 -11.054 538 HE22 GLN 68 HE22 GLN 68 -17.317 1.235 -11.891 539 HA PRO 69 HA PRO 69 -16.694 3.666 -3.244 540 HB2 PRO 69 HB2 PRO 69 -19.167 4.794 -2.139 541 HB3 PRO 69 HB1 PRO 69 -17.492 5.265 -1.836 542 HG2 PRO 69 HG2 PRO 69 -19.177 6.824 -3.244 543 HG3 PRO 69 HG1 PRO 69 -17.444 6.737 -3.610 544 HD2 PRO 69 HD2 PRO 69 -19.741 5.387 -4.985 545 HD3 PRO 69 HD1 PRO 69 -18.318 6.185 -5.690 546 H PHE 70 HN PHE 70 -16.906 1.484 -3.322 547 HA PHE 70 HA PHE 70 -19.479 0.209 -3.415 548 HB2 PHE 70 HB2 PHE 70 -17.990 -1.896 -3.114 549 HB3 PHE 70 HB1 PHE 70 -17.888 -0.987 -4.616 550 HD1 PHE 70 HD1 PHE 70 -16.155 -1.883 -1.514 551 HD2 PHE 70 HD2 PHE 70 -15.903 0.264 -5.180 552 HE1 PHE 70 HE1 PHE 70 -13.722 -1.671 -1.221 553 HE2 PHE 70 HE2 PHE 70 -13.469 0.481 -4.890 554 HZ PHE 70 HZ PHE 70 -12.375 -0.488 -2.908 555 H LYS 71 HN LYS 71 -19.973 1.499 -1.356 556 HA LYS 71 HA LYS 71 -19.012 0.258 1.086 557 HB2 LYS 71 HB2 LYS 71 -21.074 2.427 0.709 558 HB3 LYS 71 HB1 LYS 71 -20.357 1.917 2.229 559 HG2 LYS 71 HG2 LYS 71 -18.834 3.135 -0.060 560 HG3 LYS 71 HG1 LYS 71 -19.383 4.004 1.374 561 HD2 LYS 71 HD2 LYS 71 -17.995 2.640 2.791 562 HD3 LYS 71 HD1 LYS 71 -17.544 1.617 1.432 563 HE2 LYS 71 HE2 LYS 71 -15.737 3.127 1.888 564 HE3 LYS 71 HE1 LYS 71 -16.486 3.585 0.361 565 HZ1 LYS 71 HZ1 LYS 71 -16.019 5.515 1.715 566 HZ2 LYS 71 HZ2 LYS 71 -16.948 4.897 2.983 567 HZ3 LYS 71 HZ3 LYS 71 -17.689 5.332 1.529 568 H HIS 72 HN HIS 72 -21.033 -0.787 -1.128 569 HA HIS 72 HA HIS 72 -23.225 -1.631 0.553 570 HB2 HIS 72 HB2 HIS 72 -23.923 -2.946 -1.482 571 HB3 HIS 72 HB1 HIS 72 -23.811 -1.208 -1.717 572 HD1 HIS 72 HD1 HIS 72 -22.504 -0.461 -3.680 573 HD2 HIS 72 HD2 HIS 72 -21.558 -4.356 -2.583 574 HE1 HIS 72 HE1 HIS 72 -20.942 -1.301 -5.459 575 HE2 HIS 72 HE2 HIS 72 -20.300 -3.623 -4.721 576 H ILE 73 HN ILE 73 -20.108 -2.786 -0.207 577 HA ILE 73 HA ILE 73 -20.805 -5.475 0.742 578 HB ILE 73 HB ILE 73 -19.516 -5.473 -1.319 579 HG12 ILE 73 HG12 ILE 73 -17.569 -6.861 -0.586 580 HG13 ILE 73 HG11 ILE 73 -17.920 -6.397 1.076 581 HG21 ILE 73 HG21 ILE 73 -17.206 -4.642 -1.400 582 HG22 ILE 73 HG22 ILE 73 -17.416 -3.952 0.210 583 HG23 ILE 73 HG23 ILE 73 -18.382 -3.354 -1.141 584 HD11 ILE 73 HD11 ILE 73 -18.794 -8.605 0.546 585 HD12 ILE 73 HD12 ILE 73 -19.771 -7.914 -0.749 586 HD13 ILE 73 HD13 ILE 73 -20.092 -7.477 0.929 587 H ASN 74 HN ASN 74 -18.717 -2.717 1.370 588 HA ASN 74 HA ASN 74 -18.495 -3.599 4.152 589 HB2 ASN 74 HB2 ASN 74 -16.329 -4.056 3.220 590 HB3 ASN 74 HB1 ASN 74 -16.281 -2.491 2.418 591 HD21 ASN 74 HD21 ASN 74 -15.808 -0.658 3.601 592 HD22 ASN 74 HD22 ASN 74 -15.147 -0.729 5.199 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -5.832 13.740 -2.627 2 H2 MET 1 HT2 MET 1 -6.545 12.674 -3.724 3 H3 MET 1 HT3 MET 1 -6.904 14.324 -3.795 4 HA MET 1 HA MET 1 -5.393 13.723 -5.550 5 HB2 MET 1 HB2 MET 1 -5.239 15.960 -4.429 6 HB3 MET 1 HB1 MET 1 -3.982 15.305 -3.389 7 HG2 MET 1 HG2 MET 1 -3.002 16.578 -5.187 8 HG3 MET 1 HG1 MET 1 -2.591 14.872 -5.356 9 HE1 MET 1 HE1 MET 1 -2.866 16.106 -9.078 10 HE2 MET 1 HE2 MET 1 -1.841 15.302 -7.889 11 HE3 MET 1 HE3 MET 1 -2.241 17.009 -7.697 12 H ALA 2 HN ALA 2 -4.336 11.937 -6.062 13 HA ALA 2 HA ALA 2 -3.125 10.211 -4.214 14 HB1 ALA 2 HB1 ALA 2 -2.354 8.960 -6.142 15 HB2 ALA 2 HB2 ALA 2 -2.692 10.333 -7.194 16 HB3 ALA 2 HB3 ALA 2 -4.016 9.494 -6.387 17 H SER 3 HN SER 3 -1.799 12.790 -6.195 18 HA SER 3 HA SER 3 0.919 12.177 -5.879 19 HB2 SER 3 HB2 SER 3 -0.360 14.894 -6.254 20 HB3 SER 3 HB1 SER 3 1.331 14.495 -6.554 21 HG SER 3 HG SER 3 0.562 12.961 -8.122 22 H ASP 4 HN ASP 4 -1.324 13.933 -3.809 23 HA ASP 4 HA ASP 4 0.668 14.886 -1.998 24 HB2 ASP 4 HB2 ASP 4 -1.576 15.918 -2.131 25 HB3 ASP 4 HB1 ASP 4 -2.290 14.427 -1.521 26 H MET 5 HN MET 5 -1.541 12.140 -2.054 27 HA MET 5 HA MET 5 -0.803 11.001 0.403 28 HB2 MET 5 HB2 MET 5 -1.894 9.713 -2.104 29 HB3 MET 5 HB1 MET 5 -1.730 8.881 -0.564 30 HG2 MET 5 HG2 MET 5 -3.433 11.309 -1.082 31 HG3 MET 5 HG1 MET 5 -4.008 9.649 -0.943 32 HE1 MET 5 HE1 MET 5 -2.205 8.520 1.455 33 HE2 MET 5 HE2 MET 5 -3.938 8.235 1.282 34 HE3 MET 5 HE3 MET 5 -3.287 8.828 2.813 35 H GLU 6 HN GLU 6 0.529 10.685 -2.832 36 HA GLU 6 HA GLU 6 2.270 8.554 -2.461 37 HB2 GLU 6 HB2 GLU 6 1.880 9.403 -4.640 38 HB3 GLU 6 HB1 GLU 6 2.421 11.013 -4.194 39 HG2 GLU 6 HG2 GLU 6 4.704 10.155 -3.956 40 HG3 GLU 6 HG1 GLU 6 4.139 8.560 -4.446 41 H GLU 7 HN GLU 7 2.736 11.985 -1.731 42 HA GLU 7 HA GLU 7 5.449 11.778 -0.949 43 HB2 GLU 7 HB2 GLU 7 3.417 13.790 0.029 44 HB3 GLU 7 HB1 GLU 7 5.165 13.982 0.003 45 HG2 GLU 7 HG2 GLU 7 5.071 13.825 -2.474 46 HG3 GLU 7 HG1 GLU 7 3.314 13.819 -2.348 47 H LYS 8 HN LYS 8 2.401 11.504 0.762 48 HA LYS 8 HA LYS 8 3.450 11.232 3.375 49 HB2 LYS 8 HB2 LYS 8 0.882 10.023 2.331 50 HB3 LYS 8 HB1 LYS 8 1.260 10.456 3.986 51 HG2 LYS 8 HG2 LYS 8 0.982 12.404 1.745 52 HG3 LYS 8 HG1 LYS 8 -0.267 12.028 2.927 53 HD2 LYS 8 HD2 LYS 8 1.095 12.856 4.713 54 HD3 LYS 8 HD1 LYS 8 2.467 13.073 3.626 55 HE2 LYS 8 HE2 LYS 8 1.333 15.196 4.115 56 HE3 LYS 8 HE1 LYS 8 1.271 14.786 2.404 57 HZ1 LYS 8 HZ1 LYS 8 -0.844 15.625 3.512 58 HZ2 LYS 8 HZ2 LYS 8 -0.953 14.093 4.215 59 HZ3 LYS 8 HZ3 LYS 8 -0.967 14.257 2.527 60 H PHE 9 HN PHE 9 2.567 8.906 0.865 61 HA PHE 9 HA PHE 9 3.004 6.566 2.348 62 HB2 PHE 9 HB2 PHE 9 3.132 7.068 -0.624 63 HB3 PHE 9 HB1 PHE 9 3.264 5.466 0.095 64 HD1 PHE 9 HD1 PHE 9 1.231 5.752 2.263 65 HD2 PHE 9 HD2 PHE 9 1.152 6.891 -1.834 66 HE1 PHE 9 HE1 PHE 9 -1.213 5.539 2.258 67 HE2 PHE 9 HE2 PHE 9 -1.301 6.683 -1.846 68 HZ PHE 9 HZ PHE 9 -2.479 6.004 0.206 69 H ARG 10 HN ARG 10 5.206 8.595 0.509 70 HA ARG 10 HA ARG 10 7.388 6.867 0.382 71 HB2 ARG 10 HB2 ARG 10 7.305 9.013 -0.806 72 HB3 ARG 10 HB1 ARG 10 7.388 9.871 0.726 73 HG2 ARG 10 HG2 ARG 10 9.617 8.981 1.125 74 HG3 ARG 10 HG1 ARG 10 9.533 8.075 -0.384 75 HD2 ARG 10 HD2 ARG 10 9.316 10.177 -1.624 76 HD3 ARG 10 HD1 ARG 10 9.433 11.065 -0.109 77 HE ARG 10 HE ARG 10 11.685 9.529 -0.162 78 HH11 ARG 10 HH11 ARG 10 10.265 11.911 -2.292 79 HH12 ARG 10 HH12 ARG 10 11.790 12.431 -2.937 80 HH21 ARG 10 HH21 ARG 10 13.698 10.199 -1.020 81 HH22 ARG 10 HH22 ARG 10 13.740 11.461 -2.213 82 H GLU 11 HN GLU 11 6.474 9.172 2.880 83 HA GLU 11 HA GLU 11 8.642 8.578 4.617 84 HB2 GLU 11 HB2 GLU 11 7.499 10.698 4.755 85 HB3 GLU 11 HB1 GLU 11 5.971 9.900 5.097 86 HG2 GLU 11 HG2 GLU 11 6.845 9.125 7.234 87 HG3 GLU 11 HG1 GLU 11 8.390 9.907 6.889 88 H ALA 12 HN ALA 12 5.279 7.526 4.465 89 HA ALA 12 HA ALA 12 5.280 6.051 6.872 90 HB1 ALA 12 HB1 ALA 12 3.186 5.106 6.090 91 HB2 ALA 12 HB2 ALA 12 3.512 5.691 4.458 92 HB3 ALA 12 HB3 ALA 12 3.237 6.840 5.768 93 H PHE 13 HN PHE 13 5.906 5.149 3.530 94 HA PHE 13 HA PHE 13 6.063 2.376 3.808 95 HB2 PHE 13 HB2 PHE 13 6.084 3.684 1.666 96 HB3 PHE 13 HB1 PHE 13 7.756 4.116 2.001 97 HD1 PHE 13 HD1 PHE 13 9.528 2.587 1.599 98 HD2 PHE 13 HD2 PHE 13 5.477 1.356 1.201 99 HE1 PHE 13 HE1 PHE 13 10.268 0.527 0.476 100 HE2 PHE 13 HE2 PHE 13 6.204 -0.704 0.085 101 HZ PHE 13 HZ PHE 13 8.605 -1.122 -0.283 102 H ILE 14 HN ILE 14 8.526 4.887 4.194 103 HA ILE 14 HA ILE 14 10.699 3.187 4.747 104 HB ILE 14 HB ILE 14 10.249 6.054 5.587 105 HG12 ILE 14 HG12 ILE 14 11.858 4.908 3.295 106 HG13 ILE 14 HG11 ILE 14 10.252 5.613 3.134 107 HG21 ILE 14 HG21 ILE 14 11.923 4.941 6.988 108 HG22 ILE 14 HG22 ILE 14 12.656 6.164 5.946 109 HG23 ILE 14 HG23 ILE 14 12.806 4.453 5.540 110 HD11 ILE 14 HD11 ILE 14 11.110 7.759 3.891 111 HD12 ILE 14 HD12 ILE 14 11.991 7.180 2.476 112 HD13 ILE 14 HD13 ILE 14 12.717 7.057 4.079 113 H LEU 15 HN LEU 15 8.231 4.626 6.821 114 HA LEU 15 HA LEU 15 9.406 4.037 9.294 115 HB2 LEU 15 HB2 LEU 15 6.467 4.082 8.618 116 HB3 LEU 15 HB1 LEU 15 7.153 4.189 10.226 117 HG LEU 15 HG LEU 15 7.473 6.237 8.032 118 HD11 LEU 15 HD11 LEU 15 5.227 6.172 9.002 119 HD12 LEU 15 HD12 LEU 15 6.085 7.651 9.431 120 HD13 LEU 15 HD13 LEU 15 5.922 6.352 10.612 121 HD21 LEU 15 HD21 LEU 15 9.455 6.139 9.434 122 HD22 LEU 15 HD22 LEU 15 8.456 6.255 10.883 123 HD23 LEU 15 HD23 LEU 15 8.540 7.611 9.758 124 H PHE 16 HN PHE 16 7.184 2.113 7.301 125 HA PHE 16 HA PHE 16 7.200 -0.082 9.148 126 HB2 PHE 16 HB2 PHE 16 6.034 0.340 6.422 127 HB3 PHE 16 HB1 PHE 16 6.061 -1.264 7.144 128 HD1 PHE 16 HD1 PHE 16 5.029 2.233 7.953 129 HD2 PHE 16 HD2 PHE 16 4.289 -1.929 8.438 130 HE1 PHE 16 HE1 PHE 16 2.960 2.747 9.181 131 HE2 PHE 16 HE2 PHE 16 2.218 -1.425 9.662 132 HZ PHE 16 HZ PHE 16 1.552 0.918 10.039 133 H SER 17 HN SER 17 9.035 0.771 6.304 134 HA SER 17 HA SER 17 10.176 -1.922 6.174 135 HB2 SER 17 HB2 SER 17 9.380 -0.749 4.097 136 HB3 SER 17 HB1 SER 17 10.678 0.420 4.325 137 HG SER 17 HG SER 17 11.690 -0.984 3.101 138 H SER 18 HN SER 18 10.732 0.724 7.921 139 HA SER 18 HA SER 18 12.387 1.311 9.333 140 HB2 SER 18 HB2 SER 18 12.920 -1.114 9.469 141 HB3 SER 18 HB1 SER 18 14.028 -0.921 8.112 142 HG SER 18 HG SER 18 14.201 0.360 10.645 143 H CYS 19 HN CYS 19 14.190 0.292 6.423 144 HA CYS 19 HA CYS 19 14.826 3.083 5.849 145 HB2 CYS 19 HB2 CYS 19 16.985 0.999 6.250 146 HB3 CYS 19 HB1 CYS 19 17.235 2.662 5.730 147 HG CYS 19 HG CYS 19 15.594 2.565 8.599 148 H SER 20 HN SER 20 14.897 -0.295 4.966 149 HA SER 20 HA SER 20 15.977 -0.044 2.390 150 HB2 SER 20 HB2 SER 20 14.714 -2.304 2.093 151 HB3 SER 20 HB1 SER 20 16.026 -2.199 3.267 152 HG SER 20 HG SER 20 13.374 -1.665 4.061 153 H ASP 21 HN ASP 21 15.122 0.304 0.419 154 HA ASP 21 HA ASP 21 12.483 1.459 0.257 155 HB2 ASP 21 HB2 ASP 21 13.042 1.849 -2.117 156 HB3 ASP 21 HB1 ASP 21 14.286 2.462 -1.034 157 H HIS 22 HN HIS 22 13.866 -1.618 -0.163 158 HA HIS 22 HA HIS 22 11.453 -2.611 -1.499 159 HB2 HIS 22 HB2 HIS 22 13.951 -4.112 -0.650 160 HB3 HIS 22 HB1 HIS 22 12.613 -4.780 -1.578 161 HD1 HIS 22 HD1 HIS 22 15.886 -3.628 -2.089 162 HD2 HIS 22 HD2 HIS 22 12.293 -3.031 -4.090 163 HE1 HIS 22 HE1 HIS 22 16.520 -2.863 -4.400 164 HE2 HIS 22 HE2 HIS 22 14.329 -2.343 -5.530 165 H ILE 23 HN ILE 23 9.873 -3.641 -0.355 166 HA ILE 23 HA ILE 23 10.274 -3.568 2.553 167 HB ILE 23 HB ILE 23 8.536 -2.079 1.711 168 HG12 ILE 23 HG12 ILE 23 7.271 -4.365 3.224 169 HG13 ILE 23 HG11 ILE 23 8.361 -3.195 3.961 170 HG21 ILE 23 HG21 ILE 23 7.157 -4.583 0.752 171 HG22 ILE 23 HG22 ILE 23 7.853 -3.324 -0.266 172 HG23 ILE 23 HG23 ILE 23 6.459 -2.964 0.751 173 HD11 ILE 23 HD11 ILE 23 6.010 -2.668 4.372 174 HD12 ILE 23 HD12 ILE 23 5.742 -2.537 2.633 175 HD13 ILE 23 HD13 ILE 23 6.818 -1.402 3.449 176 H GLU 24 HN GLU 24 10.148 -5.315 3.753 177 HA GLU 24 HA GLU 24 9.857 -7.915 2.784 178 HB2 GLU 24 HB2 GLU 24 9.506 -6.755 5.542 179 HB3 GLU 24 HB1 GLU 24 9.417 -8.481 5.213 180 HG2 GLU 24 HG2 GLU 24 11.675 -8.401 4.308 181 HG3 GLU 24 HG1 GLU 24 11.773 -6.691 4.714 182 H MET 25 HN MET 25 8.196 -9.264 2.576 183 HA MET 25 HA MET 25 5.725 -8.165 1.890 184 HB2 MET 25 HB2 MET 25 7.004 -10.654 1.646 185 HB3 MET 25 HB1 MET 25 5.478 -10.971 2.460 186 HG2 MET 25 HG2 MET 25 5.174 -11.190 0.095 187 HG3 MET 25 HG1 MET 25 4.304 -9.765 0.660 188 HE1 MET 25 HE1 MET 25 4.912 -10.318 -2.373 189 HE2 MET 25 HE2 MET 25 5.488 -8.754 -2.945 190 HE3 MET 25 HE3 MET 25 4.109 -8.838 -1.849 191 H TYR 26 HN TYR 26 6.837 -9.541 4.928 192 HA TYR 26 HA TYR 26 4.217 -9.904 5.986 193 HB2 TYR 26 HB2 TYR 26 5.245 -10.659 7.896 194 HB3 TYR 26 HB1 TYR 26 6.515 -10.937 6.725 195 HD1 TYR 26 HD1 TYR 26 8.499 -9.460 6.682 196 HD2 TYR 26 HD2 TYR 26 5.495 -9.065 9.660 197 HE1 TYR 26 HE1 TYR 26 10.044 -8.133 8.058 198 HE2 TYR 26 HE2 TYR 26 7.029 -7.737 11.042 199 HH TYR 26 HH TYR 26 9.484 -7.459 11.315 200 H LYS 27 HN LYS 27 6.486 -7.264 5.870 201 HA LYS 27 HA LYS 27 4.950 -5.627 7.706 202 HB2 LYS 27 HB2 LYS 27 7.549 -5.403 6.300 203 HB3 LYS 27 HB1 LYS 27 6.703 -3.892 6.610 204 HG2 LYS 27 HG2 LYS 27 7.353 -5.937 8.720 205 HG3 LYS 27 HG1 LYS 27 8.338 -4.515 8.361 206 HD2 LYS 27 HD2 LYS 27 6.513 -3.051 8.946 207 HD3 LYS 27 HD1 LYS 27 5.435 -4.427 9.172 208 HE2 LYS 27 HE2 LYS 27 6.856 -5.216 11.013 209 HE3 LYS 27 HE1 LYS 27 7.890 -3.803 10.801 210 HZ1 LYS 27 HZ1 LYS 27 6.063 -2.380 11.374 211 HZ2 LYS 27 HZ2 LYS 27 6.256 -3.533 12.593 212 HZ3 LYS 27 HZ3 LYS 27 4.996 -3.693 11.467 213 H PHE 28 HN PHE 28 4.912 -6.405 4.447 214 HA PHE 28 HA PHE 28 4.313 -3.887 3.312 215 HB2 PHE 28 HB2 PHE 28 5.255 -5.544 1.910 216 HB3 PHE 28 HB1 PHE 28 4.020 -6.721 2.343 217 HD1 PHE 28 HD1 PHE 28 4.495 -3.467 0.619 218 HD2 PHE 28 HD2 PHE 28 2.153 -6.990 1.035 219 HE1 PHE 28 HE1 PHE 28 3.176 -2.812 -1.348 220 HE2 PHE 28 HE2 PHE 28 0.824 -6.351 -0.920 221 HZ PHE 28 HZ PHE 28 1.325 -4.259 -2.127 222 H PHE 29 HN PHE 29 2.228 -6.595 4.324 223 HA PHE 29 HA PHE 29 -0.124 -5.390 3.268 224 HB2 PHE 29 HB2 PHE 29 0.182 -7.850 3.695 225 HB3 PHE 29 HB1 PHE 29 -0.013 -7.512 5.407 226 HD1 PHE 29 HD1 PHE 29 -2.163 -6.693 6.269 227 HD2 PHE 29 HD2 PHE 29 -1.694 -7.909 2.197 228 HE1 PHE 29 HE1 PHE 29 -4.603 -6.857 6.042 229 HE2 PHE 29 HE2 PHE 29 -4.143 -8.081 1.987 230 HZ PHE 29 HZ PHE 29 -5.596 -7.553 3.900 231 H GLU 30 HN GLU 30 1.243 -5.567 6.557 232 HA GLU 30 HA GLU 30 -0.806 -4.060 7.778 233 HB2 GLU 30 HB2 GLU 30 0.824 -3.661 9.606 234 HB3 GLU 30 HB1 GLU 30 0.646 -5.352 9.171 235 HG2 GLU 30 HG2 GLU 30 2.726 -5.275 7.932 236 HG3 GLU 30 HG1 GLU 30 2.895 -3.558 8.295 237 H LEU 31 HN LEU 31 2.025 -3.150 5.983 238 HA LEU 31 HA LEU 31 2.168 -0.441 6.637 239 HB2 LEU 31 HB2 LEU 31 3.916 -1.581 5.445 240 HB3 LEU 31 HB1 LEU 31 2.836 -1.973 4.132 241 HG LEU 31 HG LEU 31 4.610 -0.166 3.792 242 HD11 LEU 31 HD11 LEU 31 3.191 1.103 2.298 243 HD12 LEU 31 HD12 LEU 31 1.762 0.403 3.062 244 HD13 LEU 31 HD13 LEU 31 2.885 -0.631 2.178 245 HD21 LEU 31 HD21 LEU 31 2.561 1.483 5.245 246 HD22 LEU 31 HD22 LEU 31 3.953 2.104 4.359 247 HD23 LEU 31 HD23 LEU 31 4.194 1.127 5.809 248 H MET 32 HN MET 32 0.199 -2.139 4.284 249 HA MET 32 HA MET 32 -0.945 0.356 3.355 250 HB2 MET 32 HB2 MET 32 -2.069 -0.879 1.667 251 HB3 MET 32 HB1 MET 32 -0.445 -1.538 1.793 252 HG2 MET 32 HG2 MET 32 -1.203 -3.473 2.891 253 HG3 MET 32 HG1 MET 32 -2.787 -2.767 3.204 254 HE1 MET 32 HE1 MET 32 -0.706 -2.535 -0.073 255 HE2 MET 32 HE2 MET 32 -1.342 -3.881 -1.020 256 HE3 MET 32 HE3 MET 32 -0.373 -4.198 0.422 257 H ASN 33 HN ASN 33 -1.956 -2.282 5.473 258 HA ASN 33 HA ASN 33 -4.711 -1.613 5.317 259 HB2 ASN 33 HB2 ASN 33 -5.149 -3.272 6.821 260 HB3 ASN 33 HB1 ASN 33 -3.572 -3.804 6.267 261 HD21 ASN 33 HD21 ASN 33 -1.923 -2.109 7.741 262 HD22 ASN 33 HD22 ASN 33 -2.100 -2.488 9.412 263 H SER 34 HN SER 34 -2.054 -0.221 6.876 264 HA SER 34 HA SER 34 -3.320 1.026 9.074 265 HB2 SER 34 HB2 SER 34 -0.861 0.786 8.838 266 HB3 SER 34 HB1 SER 34 -0.893 1.941 7.507 267 HG SER 34 HG SER 34 -1.504 3.543 8.917 268 H PHE 35 HN PHE 35 -3.250 1.714 5.676 269 HA PHE 35 HA PHE 35 -4.403 4.373 6.088 270 HB2 PHE 35 HB2 PHE 35 -3.444 2.972 3.589 271 HB3 PHE 35 HB1 PHE 35 -4.187 4.569 3.599 272 HD1 PHE 35 HD1 PHE 35 -1.191 2.647 4.280 273 HD2 PHE 35 HD2 PHE 35 -3.034 6.464 4.642 274 HE1 PHE 35 HE1 PHE 35 1.009 3.663 4.702 275 HE2 PHE 35 HE2 PHE 35 -0.839 7.490 5.063 276 HZ PHE 35 HZ PHE 35 1.186 6.088 5.092 277 H GLY 36 HN GLY 36 -5.586 1.432 6.227 278 HA2 GLY 36 HA2 GLY 36 -7.809 0.770 6.215 279 HA3 GLY 36 HA1 GLY 36 -8.224 2.277 5.413 280 H ILE 37 HN ILE 37 -5.688 0.806 3.816 281 HA ILE 37 HA ILE 37 -7.435 0.042 1.635 282 HB ILE 37 HB ILE 37 -4.415 0.045 1.811 283 HG12 ILE 37 HG12 ILE 37 -6.273 2.016 0.458 284 HG13 ILE 37 HG11 ILE 37 -5.513 2.282 2.023 285 HG21 ILE 37 HG21 ILE 37 -4.488 -0.094 -0.648 286 HG22 ILE 37 HG22 ILE 37 -6.240 -0.275 -0.573 287 HG23 ILE 37 HG23 ILE 37 -5.195 -1.515 0.120 288 HD11 ILE 37 HD11 ILE 37 -4.031 1.852 -0.558 289 HD12 ILE 37 HD12 ILE 37 -3.331 2.249 1.012 290 HD13 ILE 37 HD13 ILE 37 -4.356 3.419 0.182 291 H ILE 38 HN ILE 38 -7.882 -2.009 1.019 292 HA ILE 38 HA ILE 38 -6.616 -4.159 2.566 293 HB ILE 38 HB ILE 38 -8.560 -5.559 1.795 294 HG12 ILE 38 HG12 ILE 38 -9.734 -2.859 1.125 295 HG13 ILE 38 HG11 ILE 38 -9.252 -4.065 -0.060 296 HG21 ILE 38 HG21 ILE 38 -9.120 -3.187 3.561 297 HG22 ILE 38 HG22 ILE 38 -8.376 -4.710 4.051 298 HG23 ILE 38 HG23 ILE 38 -10.059 -4.681 3.519 299 HD11 ILE 38 HD11 ILE 38 -11.656 -4.070 0.306 300 HD12 ILE 38 HD12 ILE 38 -11.401 -4.412 2.017 301 HD13 ILE 38 HD13 ILE 38 -10.930 -5.599 0.800 302 H LEU 39 HN LEU 39 -5.995 -6.053 1.560 303 HA LEU 39 HA LEU 39 -5.502 -5.854 -1.343 304 HB2 LEU 39 HB2 LEU 39 -3.616 -5.777 0.644 305 HB3 LEU 39 HB1 LEU 39 -3.656 -7.479 0.254 306 HG LEU 39 HG LEU 39 -2.899 -5.185 -1.521 307 HD11 LEU 39 HD11 LEU 39 -0.942 -6.864 -1.806 308 HD12 LEU 39 HD12 LEU 39 -1.552 -7.534 -0.294 309 HD13 LEU 39 HD13 LEU 39 -1.039 -5.853 -0.369 310 HD21 LEU 39 HD21 LEU 39 -3.407 -8.034 -2.335 311 HD22 LEU 39 HD22 LEU 39 -2.650 -6.796 -3.336 312 HD23 LEU 39 HD23 LEU 39 -4.334 -6.623 -2.840 313 H THR 40 HN THR 40 -6.394 -7.569 -2.440 314 HA THR 40 HA THR 40 -7.470 -9.722 -0.805 315 HB THR 40 HB THR 40 -8.495 -10.502 -2.999 316 HG1 THR 40 HG1 THR 40 -7.590 -7.904 -3.787 317 HG21 THR 40 HG21 THR 40 -9.744 -9.361 -1.258 318 HG22 THR 40 HG22 THR 40 -10.285 -8.845 -2.855 319 HG23 THR 40 HG23 THR 40 -9.238 -7.797 -1.897 320 H ASN 41 HN ASN 41 -7.357 -11.971 -1.624 321 HA ASN 41 HA ASN 41 -4.678 -12.803 -1.630 322 HB2 ASN 41 HB2 ASN 41 -6.604 -14.177 -0.846 323 HB3 ASN 41 HB1 ASN 41 -7.087 -14.405 -2.523 324 HD21 ASN 41 HD21 ASN 41 -5.966 -15.830 -3.803 325 HD22 ASN 41 HD22 ASN 41 -4.765 -16.908 -3.182 326 H ASP 42 HN ASP 42 -7.019 -12.529 -4.262 327 HA ASP 42 HA ASP 42 -5.489 -13.636 -6.328 328 HB2 ASP 42 HB2 ASP 42 -7.846 -13.169 -6.638 329 HB3 ASP 42 HB1 ASP 42 -7.572 -11.444 -6.419 330 H GLU 43 HN GLU 43 -5.636 -10.342 -5.091 331 HA GLU 43 HA GLU 43 -3.876 -9.245 -7.033 332 HB2 GLU 43 HB2 GLU 43 -4.633 -8.253 -4.287 333 HB3 GLU 43 HB1 GLU 43 -3.764 -7.315 -5.491 334 HG2 GLU 43 HG2 GLU 43 -5.679 -7.415 -6.978 335 HG3 GLU 43 HG1 GLU 43 -6.547 -8.408 -5.806 336 H LYS 44 HN LYS 44 -3.425 -10.260 -3.646 337 HA LYS 44 HA LYS 44 -0.717 -9.672 -3.416 338 HB2 LYS 44 HB2 LYS 44 -2.339 -11.837 -2.080 339 HB3 LYS 44 HB1 LYS 44 -0.677 -11.456 -1.641 340 HG2 LYS 44 HG2 LYS 44 -1.506 -9.075 -1.318 341 HG3 LYS 44 HG1 LYS 44 -3.125 -9.755 -1.344 342 HD2 LYS 44 HD2 LYS 44 -2.516 -9.610 0.930 343 HD3 LYS 44 HD1 LYS 44 -2.380 -11.313 0.490 344 HE2 LYS 44 HE2 LYS 44 -0.490 -10.577 1.857 345 HE3 LYS 44 HE1 LYS 44 0.026 -11.080 0.251 346 HZ1 LYS 44 HZ1 LYS 44 1.092 -9.016 1.044 347 HZ2 LYS 44 HZ2 LYS 44 -0.414 -8.247 1.039 348 HZ3 LYS 44 HZ3 LYS 44 0.255 -8.812 -0.410 349 H ALA 45 HN ALA 45 -2.273 -12.577 -4.662 350 HA ALA 45 HA ALA 45 0.108 -14.051 -5.085 351 HB1 ALA 45 HB1 ALA 45 -1.264 -15.500 -6.482 352 HB2 ALA 45 HB2 ALA 45 -2.550 -14.293 -6.490 353 HB3 ALA 45 HB3 ALA 45 -2.105 -15.098 -4.984 354 H ALA 46 HN ALA 46 -1.135 -11.317 -6.631 355 HA ALA 46 HA ALA 46 0.258 -11.969 -9.148 356 HB1 ALA 46 HB1 ALA 46 -2.139 -11.565 -9.406 357 HB2 ALA 46 HB2 ALA 46 -1.180 -10.344 -10.242 358 HB3 ALA 46 HB3 ALA 46 -1.945 -9.963 -8.698 359 H LEU 47 HN LEU 47 0.782 -10.314 -6.371 360 HA LEU 47 HA LEU 47 1.927 -7.928 -7.557 361 HB2 LEU 47 HB2 LEU 47 2.267 -8.907 -4.721 362 HB3 LEU 47 HB1 LEU 47 2.584 -7.297 -5.325 363 HG LEU 47 HG LEU 47 -0.084 -8.605 -4.860 364 HD11 LEU 47 HD11 LEU 47 1.312 -6.182 -3.771 365 HD12 LEU 47 HD12 LEU 47 0.806 -7.631 -2.901 366 HD13 LEU 47 HD13 LEU 47 -0.402 -6.509 -3.529 367 HD21 LEU 47 HD21 LEU 47 -0.167 -7.449 -7.021 368 HD22 LEU 47 HD22 LEU 47 0.418 -5.977 -6.246 369 HD23 LEU 47 HD23 LEU 47 -1.152 -6.648 -5.796 370 HA PRO 48 HA PRO 48 5.992 -9.520 -8.367 371 HB2 PRO 48 HB2 PRO 48 6.988 -6.981 -7.188 372 HB3 PRO 48 HB1 PRO 48 7.299 -7.678 -8.781 373 HG2 PRO 48 HG2 PRO 48 5.675 -5.585 -8.503 374 HG3 PRO 48 HG1 PRO 48 5.316 -6.873 -9.668 375 HD2 PRO 48 HD2 PRO 48 4.108 -6.354 -6.983 376 HD3 PRO 48 HD1 PRO 48 3.336 -6.913 -8.480 377 H ASN 49 HN ASN 49 7.584 -10.567 -7.287 378 HA ASN 49 HA ASN 49 7.145 -11.234 -4.588 379 HB2 ASN 49 HB2 ASN 49 9.592 -11.724 -6.303 380 HB3 ASN 49 HB1 ASN 49 9.243 -12.523 -4.776 381 HD21 ASN 49 HD21 ASN 49 9.249 -14.547 -5.712 382 HD22 ASN 49 HD22 ASN 49 7.975 -15.095 -6.745 383 H ASP 50 HN ASP 50 9.302 -8.979 -6.158 384 HA ASP 50 HA ASP 50 10.150 -8.031 -3.498 385 HB2 ASP 50 HB2 ASP 50 12.048 -8.769 -4.870 386 HB3 ASP 50 HB1 ASP 50 11.532 -7.708 -6.175 387 H ILE 51 HN ILE 51 9.114 -6.256 -2.905 388 HA ILE 51 HA ILE 51 7.968 -4.546 -4.994 389 HB ILE 51 HB ILE 51 7.146 -4.905 -2.112 390 HG12 ILE 51 HG12 ILE 51 5.799 -5.595 -4.731 391 HG13 ILE 51 HG11 ILE 51 6.510 -6.740 -3.601 392 HG21 ILE 51 HG21 ILE 51 6.849 -2.574 -2.788 393 HG22 ILE 51 HG22 ILE 51 5.294 -3.386 -2.599 394 HG23 ILE 51 HG23 ILE 51 5.948 -3.099 -4.210 395 HD11 ILE 51 HD11 ILE 51 4.136 -4.974 -3.062 396 HD12 ILE 51 HD12 ILE 51 4.841 -6.135 -1.936 397 HD13 ILE 51 HD13 ILE 51 4.091 -6.699 -3.429 398 H ASN 52 HN ASN 52 8.740 -2.595 -5.319 399 HA ASN 52 HA ASN 52 10.420 -1.333 -3.278 400 HB2 ASN 52 HB2 ASN 52 11.455 -1.392 -5.454 401 HB3 ASN 52 HB1 ASN 52 10.006 -0.769 -6.224 402 HD21 ASN 52 HD21 ASN 52 12.775 0.048 -4.230 403 HD22 ASN 52 HD22 ASN 52 12.675 1.757 -4.489 404 H MET 53 HN MET 53 10.073 1.116 -3.069 405 HA MET 53 HA MET 53 7.552 1.675 -2.074 406 HB2 MET 53 HB2 MET 53 9.568 2.942 -1.506 407 HB3 MET 53 HB1 MET 53 9.634 3.591 -3.139 408 HG2 MET 53 HG2 MET 53 7.468 4.696 -2.756 409 HG3 MET 53 HG1 MET 53 7.488 4.097 -1.100 410 HE1 MET 53 HE1 MET 53 10.641 4.389 -0.409 411 HE2 MET 53 HE2 MET 53 9.329 4.800 0.696 412 HE3 MET 53 HE3 MET 53 10.614 5.967 0.382 413 H ASP 54 HN ASP 54 8.824 2.096 -5.324 414 HA ASP 54 HA ASP 54 6.945 3.889 -6.345 415 HB2 ASP 54 HB2 ASP 54 8.969 3.303 -7.565 416 HB3 ASP 54 HB1 ASP 54 8.388 1.655 -7.780 417 H TYR 55 HN TYR 55 6.790 0.342 -6.132 418 HA TYR 55 HA TYR 55 4.358 0.177 -7.602 419 HB2 TYR 55 HB2 TYR 55 5.943 -1.752 -7.304 420 HB3 TYR 55 HB1 TYR 55 5.384 -1.876 -5.638 421 HD1 TYR 55 HD1 TYR 55 3.400 -3.039 -5.113 422 HD2 TYR 55 HD2 TYR 55 4.244 -2.028 -9.158 423 HE1 TYR 55 HE1 TYR 55 1.496 -4.389 -5.843 424 HE2 TYR 55 HE2 TYR 55 2.338 -3.388 -9.899 425 HH TYR 55 HH TYR 55 0.990 -5.288 -9.066 426 H TRP 56 HN TRP 56 5.141 0.467 -4.181 427 HA TRP 56 HA TRP 56 2.599 0.099 -3.117 428 HB2 TRP 56 HB2 TRP 56 4.468 0.248 -1.633 429 HB3 TRP 56 HB1 TRP 56 4.911 1.836 -2.240 430 HD1 TRP 56 HD1 TRP 56 4.638 3.327 -0.154 431 HE1 TRP 56 HE1 TRP 56 2.702 3.874 1.451 432 HE3 TRP 56 HE3 TRP 56 1.252 -0.136 -1.765 433 HZ2 TRP 56 HZ2 TRP 56 0.086 2.965 1.963 434 HZ3 TRP 56 HZ3 TRP 56 -0.954 -0.231 -0.666 435 HH2 TRP 56 HH2 TRP 56 -1.520 1.290 1.158 436 H LEU 57 HN LEU 57 4.183 3.051 -4.244 437 HA LEU 57 HA LEU 57 2.078 4.840 -3.801 438 HB2 LEU 57 HB2 LEU 57 4.033 4.951 -6.099 439 HB3 LEU 57 HB1 LEU 57 3.187 6.300 -5.365 440 HG LEU 57 HG LEU 57 5.276 4.624 -3.981 441 HD11 LEU 57 HD11 LEU 57 5.474 7.363 -5.222 442 HD12 LEU 57 HD12 LEU 57 6.295 5.899 -5.760 443 HD13 LEU 57 HD13 LEU 57 6.705 6.618 -4.203 444 HD21 LEU 57 HD21 LEU 57 5.226 6.434 -2.305 445 HD22 LEU 57 HD22 LEU 57 3.693 5.572 -2.421 446 HD23 LEU 57 HD23 LEU 57 3.864 7.163 -3.162 447 H ASN 58 HN ASN 58 2.922 2.941 -6.620 448 HA ASN 58 HA ASN 58 0.905 3.819 -8.358 449 HB2 ASN 58 HB2 ASN 58 3.028 2.595 -8.965 450 HB3 ASN 58 HB1 ASN 58 2.274 1.121 -8.377 451 HD21 ASN 58 HD21 ASN 58 3.243 1.891 -11.043 452 HD22 ASN 58 HD22 ASN 58 1.895 1.667 -12.105 453 H PHE 59 HN PHE 59 1.102 1.020 -6.200 454 HA PHE 59 HA PHE 59 -1.381 -0.129 -6.855 455 HB2 PHE 59 HB2 PHE 59 0.362 -1.335 -5.635 456 HB3 PHE 59 HB1 PHE 59 0.211 -0.227 -4.278 457 HD1 PHE 59 HD1 PHE 59 -1.981 -0.210 -2.986 458 HD2 PHE 59 HD2 PHE 59 -0.949 -3.252 -5.781 459 HE1 PHE 59 HE1 PHE 59 -3.624 -1.713 -1.949 460 HE2 PHE 59 HE2 PHE 59 -2.600 -4.757 -4.752 461 HZ PHE 59 HZ PHE 59 -3.940 -3.988 -2.836 462 H ALA 60 HN ALA 60 -0.436 2.221 -4.374 463 HA ALA 60 HA ALA 60 -3.006 2.285 -3.134 464 HB1 ALA 60 HB1 ALA 60 -2.154 4.215 -1.917 465 HB2 ALA 60 HB2 ALA 60 -0.770 4.300 -3.007 466 HB3 ALA 60 HB3 ALA 60 -0.971 2.908 -1.944 467 H LYS 61 HN LYS 61 -1.388 4.353 -5.502 468 HA LYS 61 HA LYS 61 -3.473 6.251 -5.660 469 HB2 LYS 61 HB2 LYS 61 -2.304 7.208 -7.484 470 HB3 LYS 61 HB1 LYS 61 -1.145 6.734 -6.254 471 HG2 LYS 61 HG2 LYS 61 -0.082 5.928 -8.032 472 HG3 LYS 61 HG1 LYS 61 -1.093 4.531 -7.715 473 HD2 LYS 61 HD2 LYS 61 -1.268 4.969 -10.045 474 HD3 LYS 61 HD1 LYS 61 -2.774 5.493 -9.281 475 HE2 LYS 61 HE2 LYS 61 -2.006 7.112 -10.948 476 HE3 LYS 61 HE1 LYS 61 -2.022 7.805 -9.329 477 HZ1 LYS 61 HZ1 LYS 61 0.361 7.477 -9.196 478 HZ2 LYS 61 HZ2 LYS 61 -0.027 8.406 -10.553 479 HZ3 LYS 61 HZ3 LYS 61 0.382 6.777 -10.736 480 H LYS 62 HN LYS 62 -2.952 3.182 -7.076 481 HA LYS 62 HA LYS 62 -4.662 3.460 -9.329 482 HB2 LYS 62 HB2 LYS 62 -2.934 1.714 -9.151 483 HB3 LYS 62 HB1 LYS 62 -3.813 0.976 -7.823 484 HG2 LYS 62 HG2 LYS 62 -5.715 0.601 -9.384 485 HG3 LYS 62 HG1 LYS 62 -4.686 1.179 -10.693 486 HD2 LYS 62 HD2 LYS 62 -3.862 -1.091 -8.903 487 HD3 LYS 62 HD1 LYS 62 -4.850 -1.350 -10.337 488 HE2 LYS 62 HE2 LYS 62 -2.627 -1.758 -11.007 489 HE3 LYS 62 HE1 LYS 62 -3.033 -0.169 -11.642 490 HZ1 LYS 62 HZ1 LYS 62 -1.540 -0.586 -9.111 491 HZ2 LYS 62 HZ2 LYS 62 -1.755 0.870 -9.950 492 HZ3 LYS 62 HZ3 LYS 62 -0.796 -0.352 -10.609 493 H HIS 63 HN HIS 63 -5.150 2.656 -5.977 494 HA HIS 63 HA HIS 63 -7.762 1.568 -6.292 495 HB2 HIS 63 HB2 HIS 63 -6.129 2.468 -3.951 496 HB3 HIS 63 HB1 HIS 63 -7.851 2.151 -3.740 497 HD1 HIS 63 HD1 HIS 63 -8.210 -0.130 -2.876 498 HD2 HIS 63 HD2 HIS 63 -4.974 0.056 -5.473 499 HE1 HIS 63 HE1 HIS 63 -7.328 -2.481 -3.021 500 HE2 HIS 63 HE2 HIS 63 -5.503 -2.373 -4.756 501 H TYR 64 HN TYR 64 -6.491 4.781 -5.882 502 HA TYR 64 HA TYR 64 -9.201 5.781 -6.305 503 HB2 TYR 64 HB2 TYR 64 -8.488 7.720 -4.654 504 HB3 TYR 64 HB1 TYR 64 -9.263 6.252 -4.075 505 HD1 TYR 64 HD1 TYR 64 -6.001 7.984 -4.397 506 HD2 TYR 64 HD2 TYR 64 -8.162 4.797 -2.589 507 HE1 TYR 64 HE1 TYR 64 -4.133 7.604 -2.842 508 HE2 TYR 64 HE2 TYR 64 -6.302 4.409 -1.034 509 HH TYR 64 HH TYR 64 -3.810 6.614 -0.592 510 H ASN 65 HN ASN 65 -8.189 5.880 -8.442 511 HA ASN 65 HA ASN 65 -6.859 8.485 -8.758 512 HB2 ASN 65 HB2 ASN 65 -5.477 6.471 -9.442 513 HB3 ASN 65 HB1 ASN 65 -6.669 6.172 -10.701 514 HD21 ASN 65 HD21 ASN 65 -4.319 8.493 -9.509 515 HD22 ASN 65 HD22 ASN 65 -4.018 9.252 -11.035 516 H TYR 66 HN TYR 66 -9.632 7.880 -8.479 517 HA TYR 66 HA TYR 66 -10.738 8.231 -11.147 518 HB2 TYR 66 HB2 TYR 66 -12.958 8.059 -9.991 519 HB3 TYR 66 HB1 TYR 66 -11.940 6.638 -9.815 520 HD1 TYR 66 HD1 TYR 66 -10.739 6.277 -7.613 521 HD2 TYR 66 HD2 TYR 66 -13.770 9.218 -8.108 522 HE1 TYR 66 HE1 TYR 66 -11.049 6.364 -5.175 523 HE2 TYR 66 HE2 TYR 66 -14.079 9.319 -5.673 524 HH TYR 66 HH TYR 66 -11.901 7.999 -3.480 525 H GLU 67 HN GLU 67 -9.190 10.266 -10.606 526 HA GLU 67 HA GLU 67 -10.153 12.507 -9.300 527 HB2 GLU 67 HB2 GLU 67 -8.697 12.470 -11.947 528 HB3 GLU 67 HB1 GLU 67 -8.753 13.803 -10.802 529 HG2 GLU 67 HG2 GLU 67 -7.520 11.113 -10.263 530 HG3 GLU 67 HG1 GLU 67 -6.642 12.561 -10.734 531 H GLN 68 HN GLN 68 -10.653 11.507 -12.644 532 HA GLN 68 HA GLN 68 -13.261 12.839 -12.615 533 HB2 GLN 68 HB2 GLN 68 -11.190 12.910 -14.812 534 HB3 GLN 68 HB1 GLN 68 -12.886 13.275 -15.098 535 HG2 GLN 68 HG2 GLN 68 -11.155 14.742 -13.124 536 HG3 GLN 68 HG1 GLN 68 -11.442 15.267 -14.783 537 HE21 GLN 68 HE21 GLN 68 -12.860 14.798 -11.635 538 HE22 GLN 68 HE22 GLN 68 -14.275 15.760 -11.915 539 HA PRO 69 HA PRO 69 -13.706 8.353 -13.477 540 HB2 PRO 69 HB2 PRO 69 -16.322 8.278 -12.637 541 HB3 PRO 69 HB1 PRO 69 -14.930 8.036 -11.577 542 HG2 PRO 69 HG2 PRO 69 -16.581 10.486 -12.013 543 HG3 PRO 69 HG1 PRO 69 -15.906 9.841 -10.505 544 HD2 PRO 69 HD2 PRO 69 -14.784 11.917 -11.804 545 HD3 PRO 69 HD1 PRO 69 -13.813 10.726 -10.917 546 H PHE 70 HN PHE 70 -13.719 8.304 -15.656 547 HA PHE 70 HA PHE 70 -15.632 9.662 -17.263 548 HB2 PHE 70 HB2 PHE 70 -13.806 7.386 -18.042 549 HB3 PHE 70 HB1 PHE 70 -14.597 8.517 -19.133 550 HD1 PHE 70 HD1 PHE 70 -11.690 7.828 -17.221 551 HD2 PHE 70 HD2 PHE 70 -13.979 10.992 -18.909 552 HE1 PHE 70 HE1 PHE 70 -9.735 9.313 -17.073 553 HE2 PHE 70 HE2 PHE 70 -12.028 12.484 -18.769 554 HZ PHE 70 HZ PHE 70 -9.902 11.643 -17.850 555 H LYS 71 HN LYS 71 -15.043 6.282 -16.549 556 HA LYS 71 HA LYS 71 -16.329 4.422 -16.530 557 HB2 LYS 71 HB2 LYS 71 -18.640 6.335 -16.151 558 HB3 LYS 71 HB1 LYS 71 -18.636 4.618 -15.776 559 HG2 LYS 71 HG2 LYS 71 -16.892 6.683 -14.443 560 HG3 LYS 71 HG1 LYS 71 -18.400 6.047 -13.784 561 HD2 LYS 71 HD2 LYS 71 -16.094 4.264 -14.523 562 HD3 LYS 71 HD1 LYS 71 -16.231 5.014 -12.933 563 HE2 LYS 71 HE2 LYS 71 -18.361 3.281 -14.174 564 HE3 LYS 71 HE1 LYS 71 -17.131 2.686 -13.061 565 HZ1 LYS 71 HZ1 LYS 71 -19.236 3.206 -11.955 566 HZ2 LYS 71 HZ2 LYS 71 -19.095 4.822 -12.432 567 HZ3 LYS 71 HZ3 LYS 71 -17.965 4.155 -11.368 568 H HIS 72 HN HIS 72 -18.983 6.270 -17.859 569 HA HIS 72 HA HIS 72 -20.027 6.327 -19.847 570 HB2 HIS 72 HB2 HIS 72 -17.296 5.575 -20.880 571 HB3 HIS 72 HB1 HIS 72 -18.651 6.001 -21.918 572 HD1 HIS 72 HD1 HIS 72 -15.745 7.510 -20.939 573 HD2 HIS 72 HD2 HIS 72 -19.714 8.704 -20.604 574 HE1 HIS 72 HE1 HIS 72 -15.677 10.002 -20.624 575 HE2 HIS 72 HE2 HIS 72 -18.077 10.694 -20.329 576 H ILE 73 HN ILE 73 -20.431 4.957 -21.923 577 HA ILE 73 HA ILE 73 -21.710 3.218 -22.590 578 HB ILE 73 HB ILE 73 -19.411 2.558 -23.258 579 HG12 ILE 73 HG12 ILE 73 -21.219 0.232 -22.584 580 HG13 ILE 73 HG11 ILE 73 -21.401 1.289 -23.978 581 HG21 ILE 73 HG21 ILE 73 -18.276 0.726 -22.099 582 HG22 ILE 73 HG22 ILE 73 -19.475 0.810 -20.809 583 HG23 ILE 73 HG23 ILE 73 -18.396 2.174 -21.098 584 HD11 ILE 73 HD11 ILE 73 -19.069 -0.534 -23.428 585 HD12 ILE 73 HD12 ILE 73 -19.225 0.545 -24.815 586 HD13 ILE 73 HD13 ILE 73 -20.351 -0.797 -24.610 587 H ASN 74 HN ASN 74 -22.546 3.971 -20.167 588 HA ASN 74 HA ASN 74 -22.947 1.528 -18.595 589 HB2 ASN 74 HB2 ASN 74 -23.494 4.433 -17.947 590 HB3 ASN 74 HB1 ASN 74 -23.942 3.097 -16.897 591 HD21 ASN 74 HD21 ASN 74 -21.558 1.548 -17.417 592 HD22 ASN 74 HD22 ASN 74 -20.257 2.359 -16.616 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -7.364 14.605 -1.563 2 H2 MET 1 HT2 MET 1 -7.492 16.266 -1.290 3 H3 MET 1 HT3 MET 1 -6.422 15.335 -0.367 4 HA MET 1 HA MET 1 -6.229 15.852 -3.267 5 HB2 MET 1 HB2 MET 1 -5.626 17.821 -2.020 6 HB3 MET 1 HB1 MET 1 -4.636 16.878 -0.916 7 HG2 MET 1 HG2 MET 1 -3.367 18.187 -2.608 8 HG3 MET 1 HG1 MET 1 -3.010 16.463 -2.587 9 HE1 MET 1 HE1 MET 1 -5.607 18.534 -5.788 10 HE2 MET 1 HE2 MET 1 -4.826 19.382 -4.453 11 HE3 MET 1 HE3 MET 1 -6.160 18.274 -4.134 12 H ALA 2 HN ALA 2 -5.634 14.026 -4.164 13 HA ALA 2 HA ALA 2 -4.400 11.889 -2.825 14 HB1 ALA 2 HB1 ALA 2 -4.241 10.834 -4.998 15 HB2 ALA 2 HB2 ALA 2 -4.568 12.372 -5.791 16 HB3 ALA 2 HB3 ALA 2 -5.812 11.610 -4.802 17 H SER 3 HN SER 3 -3.062 14.558 -4.674 18 HA SER 3 HA SER 3 -0.494 13.521 -5.097 19 HB2 SER 3 HB2 SER 3 -1.337 15.565 -6.204 20 HB3 SER 3 HB1 SER 3 -1.304 16.413 -4.659 21 HG SER 3 HG SER 3 0.932 15.315 -6.027 22 H ASP 4 HN ASP 4 -1.850 15.241 -2.323 23 HA ASP 4 HA ASP 4 0.589 15.206 -0.836 24 HB2 ASP 4 HB2 ASP 4 -1.143 16.833 -0.291 25 HB3 ASP 4 HB1 ASP 4 -2.277 15.538 0.083 26 H MET 5 HN MET 5 -2.159 13.116 -1.215 27 HA MET 5 HA MET 5 -1.690 11.405 0.980 28 HB2 MET 5 HB2 MET 5 -3.853 11.618 -0.188 29 HB3 MET 5 HB1 MET 5 -3.152 10.851 -1.603 30 HG2 MET 5 HG2 MET 5 -4.432 9.228 -0.455 31 HG3 MET 5 HG1 MET 5 -2.730 8.834 -0.230 32 HE1 MET 5 HE1 MET 5 -5.165 7.656 1.356 33 HE2 MET 5 HE2 MET 5 -4.616 7.672 3.035 34 HE3 MET 5 HE3 MET 5 -3.521 7.150 1.754 35 H GLU 6 HN GLU 6 -0.695 11.221 -2.449 36 HA GLU 6 HA GLU 6 0.461 8.651 -2.238 37 HB2 GLU 6 HB2 GLU 6 1.688 9.208 -4.311 38 HB3 GLU 6 HB1 GLU 6 -0.033 9.538 -4.421 39 HG2 GLU 6 HG2 GLU 6 0.420 11.918 -4.026 40 HG3 GLU 6 HG1 GLU 6 2.147 11.561 -3.982 41 H GLU 7 HN GLU 7 1.743 11.871 -1.654 42 HA GLU 7 HA GLU 7 4.391 11.107 -1.111 43 HB2 GLU 7 HB2 GLU 7 2.726 13.430 -0.187 44 HB3 GLU 7 HB1 GLU 7 4.390 13.215 0.340 45 HG2 GLU 7 HG2 GLU 7 3.400 13.577 -2.466 46 HG3 GLU 7 HG1 GLU 7 4.340 14.720 -1.511 47 H LYS 8 HN LYS 8 1.490 11.146 0.908 48 HA LYS 8 HA LYS 8 2.722 10.547 3.357 49 HB2 LYS 8 HB2 LYS 8 -0.009 9.719 2.373 50 HB3 LYS 8 HB1 LYS 8 0.530 9.614 4.037 51 HG2 LYS 8 HG2 LYS 8 0.818 12.052 4.032 52 HG3 LYS 8 HG1 LYS 8 0.176 12.098 2.394 53 HD2 LYS 8 HD2 LYS 8 -1.628 12.615 3.851 54 HD3 LYS 8 HD1 LYS 8 -1.877 10.964 3.280 55 HE2 LYS 8 HE2 LYS 8 -1.006 10.075 5.353 56 HE3 LYS 8 HE1 LYS 8 -0.624 11.700 5.922 57 HZ1 LYS 8 HZ1 LYS 8 -2.983 12.221 5.897 58 HZ2 LYS 8 HZ2 LYS 8 -2.678 10.885 6.886 59 HZ3 LYS 8 HZ3 LYS 8 -3.347 10.662 5.349 60 H PHE 9 HN PHE 9 1.665 8.447 0.703 61 HA PHE 9 HA PHE 9 2.232 5.979 1.941 62 HB2 PHE 9 HB2 PHE 9 2.426 6.721 -0.990 63 HB3 PHE 9 HB1 PHE 9 2.446 5.081 -0.364 64 HD1 PHE 9 HD1 PHE 9 0.537 6.717 -2.325 65 HD2 PHE 9 HD2 PHE 9 0.273 5.321 1.683 66 HE1 PHE 9 HE1 PHE 9 -1.911 6.627 -2.527 67 HE2 PHE 9 HE2 PHE 9 -2.176 5.229 1.493 68 HZ PHE 9 HZ PHE 9 -3.272 5.882 -0.612 69 H ARG 10 HN ARG 10 4.173 8.185 0.020 70 HA ARG 10 HA ARG 10 6.547 6.712 -0.126 71 HB2 ARG 10 HB2 ARG 10 6.135 8.630 -1.533 72 HB3 ARG 10 HB1 ARG 10 6.026 9.685 -0.137 73 HG2 ARG 10 HG2 ARG 10 8.417 9.258 0.316 74 HG3 ARG 10 HG1 ARG 10 8.493 8.300 -1.164 75 HD2 ARG 10 HD2 ARG 10 7.775 10.252 -2.443 76 HD3 ARG 10 HD1 ARG 10 7.719 11.206 -0.969 77 HE ARG 10 HE ARG 10 10.266 9.972 -1.671 78 HH11 ARG 10 HH11 ARG 10 8.270 12.860 -1.610 79 HH12 ARG 10 HH12 ARG 10 9.621 13.937 -1.802 80 HH21 ARG 10 HH21 ARG 10 12.026 11.388 -1.950 81 HH22 ARG 10 HH22 ARG 10 11.753 13.101 -2.006 82 H GLU 11 HN GLU 11 5.461 9.119 2.201 83 HA GLU 11 HA GLU 11 7.816 9.219 3.741 84 HB2 GLU 11 HB2 GLU 11 6.167 10.980 3.829 85 HB3 GLU 11 HB1 GLU 11 4.952 9.865 4.434 86 HG2 GLU 11 HG2 GLU 11 6.240 9.590 6.494 87 HG3 GLU 11 HG1 GLU 11 7.444 10.726 5.883 88 H ALA 12 HN ALA 12 4.839 7.355 4.120 89 HA ALA 12 HA ALA 12 5.641 6.097 6.547 90 HB1 ALA 12 HB1 ALA 12 3.286 6.330 5.918 91 HB2 ALA 12 HB2 ALA 12 3.716 4.644 6.215 92 HB3 ALA 12 HB3 ALA 12 3.543 5.232 4.562 93 H PHE 13 HN PHE 13 5.937 5.297 3.143 94 HA PHE 13 HA PHE 13 6.720 2.615 3.460 95 HB2 PHE 13 HB2 PHE 13 6.040 3.645 1.288 96 HB3 PHE 13 HB1 PHE 13 7.586 4.489 1.252 97 HD1 PHE 13 HD1 PHE 13 9.582 3.380 0.609 98 HD2 PHE 13 HD2 PHE 13 5.983 1.186 1.177 99 HE1 PHE 13 HE1 PHE 13 10.625 1.402 -0.418 100 HE2 PHE 13 HE2 PHE 13 7.016 -0.792 0.159 101 HZ PHE 13 HZ PHE 13 9.341 -0.688 -0.641 102 H ILE 14 HN ILE 14 8.582 5.627 3.368 103 HA ILE 14 HA ILE 14 11.136 4.481 3.456 104 HB ILE 14 HB ILE 14 10.243 7.095 4.685 105 HG12 ILE 14 HG12 ILE 14 11.531 6.548 2.001 106 HG13 ILE 14 HG11 ILE 14 9.815 6.863 2.237 107 HG21 ILE 14 HG21 ILE 14 12.368 6.315 5.593 108 HG22 ILE 14 HG22 ILE 14 12.606 7.724 4.553 109 HG23 ILE 14 HG23 ILE 14 12.998 6.110 3.957 110 HD11 ILE 14 HD11 ILE 14 10.965 8.847 1.467 111 HD12 ILE 14 HD12 ILE 14 12.068 8.764 2.843 112 HD13 ILE 14 HD13 ILE 14 10.353 9.086 3.103 113 H LEU 15 HN LEU 15 8.809 5.175 5.997 114 HA LEU 15 HA LEU 15 10.521 4.689 8.177 115 HB2 LEU 15 HB2 LEU 15 7.528 4.350 7.988 116 HB3 LEU 15 HB1 LEU 15 8.451 4.396 9.477 117 HG LEU 15 HG LEU 15 8.190 6.675 7.512 118 HD11 LEU 15 HD11 LEU 15 6.112 6.223 8.711 119 HD12 LEU 15 HD12 LEU 15 6.844 7.738 9.242 120 HD13 LEU 15 HD13 LEU 15 6.978 6.293 10.246 121 HD21 LEU 15 HD21 LEU 15 9.529 6.534 10.211 122 HD22 LEU 15 HD22 LEU 15 9.284 8.002 9.265 123 HD23 LEU 15 HD23 LEU 15 10.332 6.722 8.652 124 H PHE 16 HN PHE 16 8.269 2.552 6.431 125 HA PHE 16 HA PHE 16 8.934 0.273 8.044 126 HB2 PHE 16 HB2 PHE 16 7.351 0.608 5.503 127 HB3 PHE 16 HB1 PHE 16 7.670 -0.974 6.193 128 HD1 PHE 16 HD1 PHE 16 5.760 -1.836 7.126 129 HD2 PHE 16 HD2 PHE 16 6.620 2.300 7.675 130 HE1 PHE 16 HE1 PHE 16 3.739 -1.610 8.533 131 HE2 PHE 16 HE2 PHE 16 4.618 2.530 9.086 132 HZ PHE 16 HZ PHE 16 3.181 0.580 9.515 133 H SER 17 HN SER 17 9.865 1.385 4.795 134 HA SER 17 HA SER 17 11.440 -1.069 4.487 135 HB2 SER 17 HB2 SER 17 10.205 0.701 2.389 136 HB3 SER 17 HB1 SER 17 11.218 -0.700 2.052 137 HG SER 17 HG SER 17 9.459 -1.596 3.708 138 H SER 18 HN SER 18 12.177 1.731 5.552 139 HA SER 18 HA SER 18 13.692 3.467 4.620 140 HB2 SER 18 HB2 SER 18 15.037 1.493 6.463 141 HB3 SER 18 HB1 SER 18 15.416 3.206 6.295 142 HG SER 18 HG SER 18 12.943 3.308 6.810 143 H CYS 19 HN CYS 19 15.803 0.613 4.983 144 HA CYS 19 HA CYS 19 16.788 1.133 2.257 145 HB2 CYS 19 HB2 CYS 19 19.124 0.619 3.168 146 HB3 CYS 19 HB1 CYS 19 18.440 2.197 3.548 147 HG CYS 19 HG CYS 19 19.816 0.235 5.602 148 H SER 20 HN SER 20 18.056 -1.163 4.650 149 HA SER 20 HA SER 20 17.472 -3.374 2.851 150 HB2 SER 20 HB2 SER 20 18.711 -3.450 5.609 151 HB3 SER 20 HB1 SER 20 18.761 -4.722 4.389 152 HG SER 20 HG SER 20 19.788 -2.883 3.078 153 H ASP 21 HN ASP 21 15.402 -1.869 3.952 154 HA ASP 21 HA ASP 21 14.133 -3.552 5.961 155 HB2 ASP 21 HB2 ASP 21 13.596 -0.677 5.221 156 HB3 ASP 21 HB1 ASP 21 12.718 -1.586 6.444 157 H HIS 22 HN HIS 22 14.182 -4.079 3.012 158 HA HIS 22 HA HIS 22 11.772 -2.893 1.968 159 HB2 HIS 22 HB2 HIS 22 13.817 -4.790 0.831 160 HB3 HIS 22 HB1 HIS 22 12.322 -4.442 -0.028 161 HD1 HIS 22 HD1 HIS 22 15.525 -3.527 -0.512 162 HD2 HIS 22 HD2 HIS 22 12.156 -1.279 0.360 163 HE1 HIS 22 HE1 HIS 22 16.045 -1.199 -1.324 164 HE2 HIS 22 HE2 HIS 22 13.993 0.161 -0.760 165 H ILE 23 HN ILE 23 9.987 -4.186 1.050 166 HA ILE 23 HA ILE 23 9.320 -5.515 3.550 167 HB ILE 23 HB ILE 23 8.429 -3.251 2.865 168 HG12 ILE 23 HG12 ILE 23 6.277 -5.217 3.566 169 HG13 ILE 23 HG11 ILE 23 7.555 -4.762 4.692 170 HG21 ILE 23 HG21 ILE 23 6.343 -3.238 1.523 171 HG22 ILE 23 HG22 ILE 23 6.655 -4.920 1.095 172 HG23 ILE 23 HG23 ILE 23 7.778 -3.660 0.586 173 HD11 ILE 23 HD11 ILE 23 6.862 -2.433 4.548 174 HD12 ILE 23 HD12 ILE 23 5.534 -3.467 5.073 175 HD13 ILE 23 HD13 ILE 23 5.589 -2.878 3.411 176 H GLU 24 HN GLU 24 8.697 -7.443 3.660 177 HA GLU 24 HA GLU 24 8.029 -9.074 1.404 178 HB2 GLU 24 HB2 GLU 24 7.886 -9.566 4.380 179 HB3 GLU 24 HB1 GLU 24 7.493 -10.779 3.167 180 HG2 GLU 24 HG2 GLU 24 9.758 -10.473 2.260 181 HG3 GLU 24 HG1 GLU 24 10.141 -9.462 3.642 182 H MET 25 HN MET 25 5.949 -10.318 1.378 183 HA MET 25 HA MET 25 3.851 -8.470 1.211 184 HB2 MET 25 HB2 MET 25 4.080 -10.623 -0.076 185 HB3 MET 25 HB1 MET 25 3.537 -11.463 1.369 186 HG2 MET 25 HG2 MET 25 1.416 -10.419 1.289 187 HG3 MET 25 HG1 MET 25 1.948 -9.288 0.047 188 HE1 MET 25 HE1 MET 25 2.841 -10.107 -2.285 189 HE2 MET 25 HE2 MET 25 2.449 -11.658 -3.022 190 HE3 MET 25 HE3 MET 25 3.684 -11.567 -1.766 191 H TYR 26 HN TYR 26 4.875 -10.618 3.794 192 HA TYR 26 HA TYR 26 2.415 -10.456 5.242 193 HB2 TYR 26 HB2 TYR 26 3.405 -11.827 6.801 194 HB3 TYR 26 HB1 TYR 26 4.360 -12.210 5.387 195 HD1 TYR 26 HD1 TYR 26 4.377 -10.826 8.731 196 HD2 TYR 26 HD2 TYR 26 6.666 -11.285 5.175 197 HE1 TYR 26 HE1 TYR 26 6.417 -10.253 9.977 198 HE2 TYR 26 HE2 TYR 26 8.711 -10.714 6.414 199 HH TYR 26 HH TYR 26 8.821 -10.567 9.817 200 H LYS 27 HN LYS 27 5.468 -8.709 5.340 201 HA LYS 27 HA LYS 27 4.718 -7.073 7.600 202 HB2 LYS 27 HB2 LYS 27 7.077 -7.910 6.500 203 HB3 LYS 27 HB1 LYS 27 6.968 -6.276 5.870 204 HG2 LYS 27 HG2 LYS 27 6.762 -6.964 8.787 205 HG3 LYS 27 HG1 LYS 27 8.256 -6.511 7.973 206 HD2 LYS 27 HD2 LYS 27 7.140 -4.382 7.290 207 HD3 LYS 27 HD1 LYS 27 5.775 -4.839 8.306 208 HE2 LYS 27 HE2 LYS 27 8.609 -4.479 9.268 209 HE3 LYS 27 HE1 LYS 27 7.321 -3.291 9.438 210 HZ1 LYS 27 HZ1 LYS 27 7.573 -4.538 11.460 211 HZ2 LYS 27 HZ2 LYS 27 7.378 -6.003 10.642 212 HZ3 LYS 27 HZ3 LYS 27 6.079 -4.919 10.757 213 H PHE 28 HN PHE 28 4.120 -7.163 4.344 214 HA PHE 28 HA PHE 28 4.171 -4.370 3.721 215 HB2 PHE 28 HB2 PHE 28 4.702 -5.871 1.990 216 HB3 PHE 28 HB1 PHE 28 3.318 -6.891 2.336 217 HD1 PHE 28 HD1 PHE 28 1.384 -6.676 1.161 218 HD2 PHE 28 HD2 PHE 28 4.263 -3.560 1.025 219 HE1 PHE 28 HE1 PHE 28 0.123 -5.618 -0.641 220 HE2 PHE 28 HE2 PHE 28 3.020 -2.476 -0.783 221 HZ PHE 28 HZ PHE 28 0.928 -3.507 -1.637 222 H PHE 29 HN PHE 29 1.753 -6.696 4.714 223 HA PHE 29 HA PHE 29 -0.472 -5.108 3.960 224 HB2 PHE 29 HB2 PHE 29 -0.269 -7.678 4.549 225 HB3 PHE 29 HB1 PHE 29 -0.723 -7.105 6.151 226 HD1 PHE 29 HD1 PHE 29 -1.812 -7.610 2.703 227 HD2 PHE 29 HD2 PHE 29 -2.890 -6.078 6.537 228 HE1 PHE 29 HE1 PHE 29 -4.171 -7.566 2.026 229 HE2 PHE 29 HE2 PHE 29 -5.247 -6.008 5.856 230 HZ PHE 29 HZ PHE 29 -5.896 -6.758 3.597 231 H GLU 30 HN GLU 30 1.430 -5.354 6.924 232 HA GLU 30 HA GLU 30 -0.302 -3.776 8.507 233 HB2 GLU 30 HB2 GLU 30 1.730 -3.409 9.959 234 HB3 GLU 30 HB1 GLU 30 1.213 -5.070 9.727 235 HG2 GLU 30 HG2 GLU 30 2.960 -5.246 7.938 236 HG3 GLU 30 HG1 GLU 30 3.552 -3.677 8.480 237 H LEU 31 HN LEU 31 2.175 -3.007 6.228 238 HA LEU 31 HA LEU 31 2.378 -0.256 6.725 239 HB2 LEU 31 HB2 LEU 31 3.967 -1.349 5.306 240 HB3 LEU 31 HB1 LEU 31 2.706 -1.886 4.217 241 HG LEU 31 HG LEU 31 2.311 0.507 3.596 242 HD11 LEU 31 HD11 LEU 31 4.833 0.951 5.185 243 HD12 LEU 31 HD12 LEU 31 3.229 1.579 5.571 244 HD13 LEU 31 HD13 LEU 31 4.067 2.130 4.121 245 HD21 LEU 31 HD21 LEU 31 4.271 0.661 2.160 246 HD22 LEU 31 HD22 LEU 31 3.658 -0.991 2.214 247 HD23 LEU 31 HD23 LEU 31 5.095 -0.553 3.137 248 H MET 32 HN MET 32 0.011 -2.132 4.931 249 HA MET 32 HA MET 32 -1.070 0.302 3.758 250 HB2 MET 32 HB2 MET 32 -2.226 -1.012 2.217 251 HB3 MET 32 HB1 MET 32 -0.722 -1.881 2.469 252 HG2 MET 32 HG2 MET 32 -1.776 -3.505 3.822 253 HG3 MET 32 HG1 MET 32 -3.249 -2.546 3.947 254 HE1 MET 32 HE1 MET 32 -1.013 -4.724 1.464 255 HE2 MET 32 HE2 MET 32 -1.022 -3.052 0.895 256 HE3 MET 32 HE3 MET 32 -1.833 -4.304 -0.040 257 H ASN 33 HN ASN 33 -2.050 -2.069 6.180 258 HA ASN 33 HA ASN 33 -4.766 -1.245 6.185 259 HB2 ASN 33 HB2 ASN 33 -5.115 -2.522 8.122 260 HB3 ASN 33 HB1 ASN 33 -3.867 -3.397 7.244 261 HD21 ASN 33 HD21 ASN 33 -1.886 -3.618 8.138 262 HD22 ASN 33 HD22 ASN 33 -1.493 -3.113 9.745 263 H SER 34 HN SER 34 -1.881 0.093 7.419 264 HA SER 34 HA SER 34 -2.985 1.763 9.430 265 HB2 SER 34 HB2 SER 34 -0.552 1.270 9.228 266 HB3 SER 34 HB1 SER 34 -0.505 2.230 7.751 267 HG SER 34 HG SER 34 -0.106 3.815 9.071 268 H PHE 35 HN PHE 35 -2.879 1.891 5.981 269 HA PHE 35 HA PHE 35 -3.843 4.652 5.934 270 HB2 PHE 35 HB2 PHE 35 -2.866 2.765 3.806 271 HB3 PHE 35 HB1 PHE 35 -3.740 4.236 3.392 272 HD1 PHE 35 HD1 PHE 35 -0.591 2.818 4.425 273 HD2 PHE 35 HD2 PHE 35 -2.789 6.436 4.014 274 HE1 PHE 35 HE1 PHE 35 1.505 4.101 4.549 275 HE2 PHE 35 HE2 PHE 35 -0.704 7.726 4.135 276 HZ PHE 35 HZ PHE 35 1.450 6.560 4.404 277 H GLY 36 HN GLY 36 -5.073 1.571 6.154 278 HA2 GLY 36 HA2 GLY 36 -7.308 0.938 6.203 279 HA3 GLY 36 HA1 GLY 36 -7.737 2.487 5.496 280 H ILE 37 HN ILE 37 -5.260 0.693 3.933 281 HA ILE 37 HA ILE 37 -6.974 0.300 1.616 282 HB ILE 37 HB ILE 37 -4.029 -0.287 1.975 283 HG12 ILE 37 HG12 ILE 37 -5.354 2.073 0.626 284 HG13 ILE 37 HG11 ILE 37 -4.638 2.116 2.234 285 HG21 ILE 37 HG21 ILE 37 -3.951 -0.346 -0.472 286 HG22 ILE 37 HG22 ILE 37 -5.698 -0.119 -0.532 287 HG23 ILE 37 HG23 ILE 37 -5.024 -1.588 0.172 288 HD11 ILE 37 HD11 ILE 37 -3.158 3.048 0.530 289 HD12 ILE 37 HD12 ILE 37 -3.158 1.496 -0.312 290 HD13 ILE 37 HD13 ILE 37 -2.461 1.625 1.305 291 H ILE 38 HN ILE 38 -7.685 -1.648 0.883 292 HA ILE 38 HA ILE 38 -6.920 -4.017 2.444 293 HB ILE 38 HB ILE 38 -9.044 -5.027 1.482 294 HG12 ILE 38 HG12 ILE 38 -9.648 -2.112 0.948 295 HG13 ILE 38 HG11 ILE 38 -9.397 -3.345 -0.282 296 HG21 ILE 38 HG21 ILE 38 -10.446 -3.974 3.214 297 HG22 ILE 38 HG22 ILE 38 -9.218 -2.725 3.417 298 HG23 ILE 38 HG23 ILE 38 -8.839 -4.404 3.799 299 HD11 ILE 38 HD11 ILE 38 -11.754 -2.872 0.025 300 HD12 ILE 38 HD12 ILE 38 -11.630 -3.291 1.734 301 HD13 ILE 38 HD13 ILE 38 -11.381 -4.528 0.501 302 H LEU 39 HN LEU 39 -6.591 -5.984 1.353 303 HA LEU 39 HA LEU 39 -5.745 -5.643 -1.451 304 HB2 LEU 39 HB2 LEU 39 -4.205 -6.167 0.810 305 HB3 LEU 39 HB1 LEU 39 -4.375 -7.721 0.031 306 HG LEU 39 HG LEU 39 -3.138 -5.225 -1.089 307 HD11 LEU 39 HD11 LEU 39 -1.513 -6.207 0.167 308 HD12 LEU 39 HD12 LEU 39 -1.265 -7.047 -1.365 309 HD13 LEU 39 HD13 LEU 39 -2.157 -7.823 -0.058 310 HD21 LEU 39 HD21 LEU 39 -3.640 -7.840 -2.486 311 HD22 LEU 39 HD22 LEU 39 -2.663 -6.508 -3.108 312 HD23 LEU 39 HD23 LEU 39 -4.398 -6.295 -2.863 313 H THR 40 HN THR 40 -6.623 -7.093 -2.847 314 HA THR 40 HA THR 40 -8.187 -9.275 -1.729 315 HB THR 40 HB THR 40 -8.743 -9.621 -4.244 316 HG1 THR 40 HG1 THR 40 -7.901 -8.214 -5.562 317 HG21 THR 40 HG21 THR 40 -10.499 -7.910 -4.105 318 HG22 THR 40 HG22 THR 40 -9.662 -7.171 -2.741 319 HG23 THR 40 HG23 THR 40 -10.327 -8.797 -2.590 320 H ASN 41 HN ASN 41 -8.059 -11.449 -2.791 321 HA ASN 41 HA ASN 41 -5.458 -12.469 -2.515 322 HB2 ASN 41 HB2 ASN 41 -7.987 -13.627 -3.646 323 HB3 ASN 41 HB1 ASN 41 -6.476 -14.522 -3.747 324 HD21 ASN 41 HD21 ASN 41 -5.528 -15.303 -1.876 325 HD22 ASN 41 HD22 ASN 41 -6.389 -15.403 -0.379 326 H ASP 42 HN ASP 42 -7.310 -11.618 -5.392 327 HA ASP 42 HA ASP 42 -5.567 -12.703 -7.296 328 HB2 ASP 42 HB2 ASP 42 -6.745 -11.457 -8.931 329 HB3 ASP 42 HB1 ASP 42 -7.928 -11.825 -7.683 330 H GLU 43 HN GLU 43 -5.630 -9.526 -5.765 331 HA GLU 43 HA GLU 43 -3.438 -8.516 -7.262 332 HB2 GLU 43 HB2 GLU 43 -4.870 -7.610 -4.795 333 HB3 GLU 43 HB1 GLU 43 -3.382 -6.821 -5.294 334 HG2 GLU 43 HG2 GLU 43 -4.500 -6.510 -7.559 335 HG3 GLU 43 HG1 GLU 43 -5.999 -6.964 -6.749 336 H LYS 44 HN LYS 44 -3.700 -9.911 -3.991 337 HA LYS 44 HA LYS 44 -1.057 -9.528 -3.197 338 HB2 LYS 44 HB2 LYS 44 -2.849 -11.851 -2.488 339 HB3 LYS 44 HB1 LYS 44 -1.378 -11.400 -1.641 340 HG2 LYS 44 HG2 LYS 44 -2.464 -9.178 -1.169 341 HG3 LYS 44 HG1 LYS 44 -3.954 -9.878 -1.804 342 HD2 LYS 44 HD2 LYS 44 -3.970 -10.081 0.584 343 HD3 LYS 44 HD1 LYS 44 -3.731 -11.689 -0.103 344 HE2 LYS 44 HE2 LYS 44 -2.236 -11.351 1.782 345 HE3 LYS 44 HE1 LYS 44 -1.315 -11.487 0.289 346 HZ1 LYS 44 HZ1 LYS 44 -0.547 -9.692 1.772 347 HZ2 LYS 44 HZ2 LYS 44 -2.030 -8.907 1.573 348 HZ3 LYS 44 HZ3 LYS 44 -1.003 -9.121 0.244 349 H ALA 45 HN ALA 45 -2.482 -12.189 -5.035 350 HA ALA 45 HA ALA 45 -0.148 -13.783 -5.127 351 HB1 ALA 45 HB1 ALA 45 -1.280 -14.997 -6.916 352 HB2 ALA 45 HB2 ALA 45 -2.478 -13.709 -7.041 353 HB3 ALA 45 HB3 ALA 45 -2.378 -14.680 -5.572 354 H ALA 46 HN ALA 46 -0.898 -10.846 -6.626 355 HA ALA 46 HA ALA 46 0.877 -11.395 -8.911 356 HB1 ALA 46 HB1 ALA 46 -1.082 -9.138 -8.526 357 HB2 ALA 46 HB2 ALA 46 -1.359 -10.594 -9.478 358 HB3 ALA 46 HB3 ALA 46 -0.118 -9.444 -9.971 359 H LEU 47 HN LEU 47 1.193 -10.188 -5.882 360 HA LEU 47 HA LEU 47 2.751 -7.837 -6.599 361 HB2 LEU 47 HB2 LEU 47 2.512 -9.028 -3.849 362 HB3 LEU 47 HB1 LEU 47 2.987 -7.404 -4.273 363 HG LEU 47 HG LEU 47 0.229 -8.594 -4.289 364 HD11 LEU 47 HD11 LEU 47 0.948 -7.737 -2.182 365 HD12 LEU 47 HD12 LEU 47 -0.203 -6.597 -2.886 366 HD13 LEU 47 HD13 LEU 47 1.528 -6.246 -2.936 367 HD21 LEU 47 HD21 LEU 47 -0.652 -6.703 -5.369 368 HD22 LEU 47 HD22 LEU 47 0.685 -7.246 -6.387 369 HD23 LEU 47 HD23 LEU 47 0.893 -5.857 -5.322 370 HA PRO 48 HA PRO 48 6.737 -9.850 -6.581 371 HB2 PRO 48 HB2 PRO 48 8.234 -7.738 -5.702 372 HB3 PRO 48 HB1 PRO 48 7.662 -7.898 -7.365 373 HG2 PRO 48 HG2 PRO 48 6.523 -6.291 -5.116 374 HG3 PRO 48 HG1 PRO 48 6.734 -5.842 -6.819 375 HD2 PRO 48 HD2 PRO 48 4.350 -6.605 -5.839 376 HD3 PRO 48 HD1 PRO 48 4.855 -7.014 -7.491 377 H ASN 49 HN ASN 49 8.442 -10.425 -5.095 378 HA ASN 49 HA ASN 49 7.379 -11.154 -2.563 379 HB2 ASN 49 HB2 ASN 49 10.170 -11.419 -3.704 380 HB3 ASN 49 HB1 ASN 49 9.630 -12.166 -2.203 381 HD21 ASN 49 HD21 ASN 49 10.079 -14.204 -3.042 382 HD22 ASN 49 HD22 ASN 49 9.045 -14.967 -4.198 383 H ASP 50 HN ASP 50 9.429 -8.583 -3.683 384 HA ASP 50 HA ASP 50 9.148 -7.415 -1.012 385 HB2 ASP 50 HB2 ASP 50 11.316 -6.303 -1.144 386 HB3 ASP 50 HB1 ASP 50 11.533 -8.051 -1.271 387 H ILE 51 HN ILE 51 7.947 -5.700 -1.116 388 HA ILE 51 HA ILE 51 7.437 -4.417 -3.658 389 HB ILE 51 HB ILE 51 6.251 -4.185 -0.916 390 HG12 ILE 51 HG12 ILE 51 4.132 -4.431 -2.358 391 HG13 ILE 51 HG11 ILE 51 5.231 -4.851 -3.666 392 HG21 ILE 51 HG21 ILE 51 5.801 -2.211 -3.137 393 HG22 ILE 51 HG22 ILE 51 6.521 -1.891 -1.559 394 HG23 ILE 51 HG23 ILE 51 4.822 -2.343 -1.678 395 HD11 ILE 51 HD11 ILE 51 6.073 -6.724 -2.360 396 HD12 ILE 51 HD12 ILE 51 4.327 -6.826 -2.595 397 HD13 ILE 51 HD13 ILE 51 4.979 -6.296 -1.044 398 H ASN 52 HN ASN 52 8.362 -2.587 -4.354 399 HA ASN 52 HA ASN 52 10.052 -1.113 -2.468 400 HB2 ASN 52 HB2 ASN 52 11.096 -0.072 -4.449 401 HB3 ASN 52 HB1 ASN 52 11.278 -1.808 -4.420 402 HD21 ASN 52 HD21 ASN 52 11.347 0.187 -6.595 403 HD22 ASN 52 HD22 ASN 52 10.219 -0.390 -7.777 404 H MET 53 HN MET 53 10.247 1.311 -3.447 405 HA MET 53 HA MET 53 7.856 2.457 -2.478 406 HB2 MET 53 HB2 MET 53 9.951 3.598 -2.136 407 HB3 MET 53 HB1 MET 53 10.228 3.706 -3.869 408 HG2 MET 53 HG2 MET 53 8.535 5.296 -4.156 409 HG3 MET 53 HG1 MET 53 7.855 4.962 -2.569 410 HE1 MET 53 HE1 MET 53 10.190 4.970 -0.576 411 HE2 MET 53 HE2 MET 53 8.704 5.894 -0.357 412 HE3 MET 53 HE3 MET 53 10.270 6.673 -0.127 413 H ASP 54 HN ASP 54 9.243 2.188 -5.711 414 HA ASP 54 HA ASP 54 7.334 3.715 -7.070 415 HB2 ASP 54 HB2 ASP 54 9.001 1.389 -8.043 416 HB3 ASP 54 HB1 ASP 54 8.043 2.425 -9.096 417 H TYR 55 HN TYR 55 7.337 0.288 -6.169 418 HA TYR 55 HA TYR 55 4.926 -0.253 -7.617 419 HB2 TYR 55 HB2 TYR 55 6.684 -1.992 -6.931 420 HB3 TYR 55 HB1 TYR 55 5.945 -1.932 -5.332 421 HD1 TYR 55 HD1 TYR 55 4.140 -3.363 -4.851 422 HD2 TYR 55 HD2 TYR 55 5.044 -2.414 -8.909 423 HE1 TYR 55 HE1 TYR 55 2.428 -4.926 -5.601 424 HE2 TYR 55 HE2 TYR 55 3.321 -3.993 -9.661 425 HH TYR 55 HH TYR 55 2.095 -5.882 -8.902 426 H TRP 56 HN TRP 56 5.719 0.458 -4.243 427 HA TRP 56 HA TRP 56 3.241 -0.030 -3.096 428 HB2 TRP 56 HB2 TRP 56 5.198 0.366 -1.742 429 HB3 TRP 56 HB1 TRP 56 5.365 1.995 -2.378 430 HD1 TRP 56 HD1 TRP 56 4.864 3.575 -0.438 431 HE1 TRP 56 HE1 TRP 56 3.012 3.795 1.334 432 HE3 TRP 56 HE3 TRP 56 2.226 -0.660 -1.510 433 HZ2 TRP 56 HZ2 TRP 56 0.719 2.367 2.158 434 HZ3 TRP 56 HZ3 TRP 56 0.208 -1.161 -0.187 435 HH2 TRP 56 HH2 TRP 56 -0.527 0.323 1.606 436 H LEU 57 HN LEU 57 4.503 2.998 -4.452 437 HA LEU 57 HA LEU 57 2.209 4.542 -3.871 438 HB2 LEU 57 HB2 LEU 57 4.113 4.982 -6.169 439 HB3 LEU 57 HB1 LEU 57 3.123 6.184 -5.365 440 HG LEU 57 HG LEU 57 5.395 4.708 -4.048 441 HD11 LEU 57 HD11 LEU 57 6.640 6.807 -4.285 442 HD12 LEU 57 HD12 LEU 57 5.318 7.468 -5.250 443 HD13 LEU 57 HD13 LEU 57 6.240 6.086 -5.845 444 HD21 LEU 57 HD21 LEU 57 3.829 7.142 -3.181 445 HD22 LEU 57 HD22 LEU 57 5.204 6.436 -2.327 446 HD23 LEU 57 HD23 LEU 57 3.700 5.527 -2.484 447 H ASN 58 HN ASN 58 3.266 2.922 -6.818 448 HA ASN 58 HA ASN 58 1.098 3.649 -8.445 449 HB2 ASN 58 HB2 ASN 58 3.155 2.838 -9.437 450 HB3 ASN 58 HB1 ASN 58 2.976 1.283 -8.632 451 HD21 ASN 58 HD21 ASN 58 1.836 3.339 -11.192 452 HD22 ASN 58 HD22 ASN 58 0.975 2.115 -12.061 453 H PHE 59 HN PHE 59 1.676 0.846 -6.398 454 HA PHE 59 HA PHE 59 -0.598 -0.646 -7.060 455 HB2 PHE 59 HB2 PHE 59 1.176 -1.626 -5.746 456 HB3 PHE 59 HB1 PHE 59 0.973 -0.420 -4.482 457 HD1 PHE 59 HD1 PHE 59 -0.927 -0.537 -2.947 458 HD2 PHE 59 HD2 PHE 59 -0.251 -3.529 -5.898 459 HE1 PHE 59 HE1 PHE 59 -2.452 -2.049 -1.754 460 HE2 PHE 59 HE2 PHE 59 -1.783 -5.042 -4.713 461 HZ PHE 59 HZ PHE 59 -2.884 -4.301 -2.645 462 H ALA 60 HN ALA 60 -0.058 1.906 -4.697 463 HA ALA 60 HA ALA 60 -2.672 1.793 -3.580 464 HB1 ALA 60 HB1 ALA 60 -2.100 3.920 -2.536 465 HB2 ALA 60 HB2 ALA 60 -0.682 4.056 -3.575 466 HB3 ALA 60 HB3 ALA 60 -0.781 2.761 -2.383 467 H LYS 61 HN LYS 61 -1.176 3.754 -6.114 468 HA LYS 61 HA LYS 61 -3.401 5.459 -6.566 469 HB2 LYS 61 HB2 LYS 61 -1.314 4.680 -8.596 470 HB3 LYS 61 HB1 LYS 61 -2.282 6.151 -8.553 471 HG2 LYS 61 HG2 LYS 61 -0.596 5.631 -6.203 472 HG3 LYS 61 HG1 LYS 61 0.232 6.001 -7.706 473 HD2 LYS 61 HD2 LYS 61 -1.974 7.670 -6.500 474 HD3 LYS 61 HD1 LYS 61 -0.252 8.009 -6.313 475 HE2 LYS 61 HE2 LYS 61 -0.003 8.387 -8.662 476 HE3 LYS 61 HE1 LYS 61 -1.638 7.818 -8.983 477 HZ1 LYS 61 HZ1 LYS 61 -0.951 10.239 -7.409 478 HZ2 LYS 61 HZ2 LYS 61 -2.515 9.700 -7.793 479 HZ3 LYS 61 HZ3 LYS 61 -1.480 10.229 -9.019 480 H LYS 62 HN LYS 62 -2.493 2.324 -7.625 481 HA LYS 62 HA LYS 62 -4.348 2.018 -9.735 482 HB2 LYS 62 HB2 LYS 62 -2.442 0.525 -9.450 483 HB3 LYS 62 HB1 LYS 62 -3.068 -0.011 -7.901 484 HG2 LYS 62 HG2 LYS 62 -5.005 -0.994 -9.050 485 HG3 LYS 62 HG1 LYS 62 -4.307 -0.507 -10.595 486 HD2 LYS 62 HD2 LYS 62 -3.782 -2.829 -10.172 487 HD3 LYS 62 HD1 LYS 62 -2.307 -1.868 -10.081 488 HE2 LYS 62 HE2 LYS 62 -2.475 -1.848 -7.637 489 HE3 LYS 62 HE1 LYS 62 -3.945 -2.813 -7.731 490 HZ1 LYS 62 HZ1 LYS 62 -2.587 -4.543 -8.859 491 HZ2 LYS 62 HZ2 LYS 62 -2.151 -4.257 -7.255 492 HZ3 LYS 62 HZ3 LYS 62 -1.204 -3.630 -8.510 493 H HIS 63 HN HIS 63 -4.579 1.757 -6.284 494 HA HIS 63 HA HIS 63 -7.128 0.434 -6.282 495 HB2 HIS 63 HB2 HIS 63 -5.366 1.609 -4.160 496 HB3 HIS 63 HB1 HIS 63 -7.036 1.186 -3.784 497 HD1 HIS 63 HD1 HIS 63 -6.952 -0.970 -2.564 498 HD2 HIS 63 HD2 HIS 63 -4.343 -0.893 -5.791 499 HE1 HIS 63 HE1 HIS 63 -5.960 -3.271 -2.676 500 HE2 HIS 63 HE2 HIS 63 -4.612 -3.277 -4.814 501 H TYR 64 HN TYR 64 -6.023 3.730 -6.287 502 HA TYR 64 HA TYR 64 -8.714 4.689 -6.666 503 HB2 TYR 64 HB2 TYR 64 -8.944 6.085 -4.802 504 HB3 TYR 64 HB1 TYR 64 -8.409 4.550 -4.111 505 HD1 TYR 64 HD1 TYR 64 -8.067 7.869 -3.602 506 HD2 TYR 64 HD2 TYR 64 -5.586 4.504 -4.372 507 HE1 TYR 64 HE1 TYR 64 -6.152 9.054 -2.612 508 HE2 TYR 64 HE2 TYR 64 -3.674 5.679 -3.387 509 HH TYR 64 HH TYR 64 -2.974 8.010 -3.020 510 H ASN 65 HN ASN 65 -8.703 7.125 -6.895 511 HA ASN 65 HA ASN 65 -7.949 8.961 -7.992 512 HB2 ASN 65 HB2 ASN 65 -6.311 9.049 -6.112 513 HB3 ASN 65 HB1 ASN 65 -5.205 8.066 -7.062 514 HD21 ASN 65 HD21 ASN 65 -7.244 10.727 -8.192 515 HD22 ASN 65 HD22 ASN 65 -5.937 11.757 -8.656 516 H TYR 66 HN TYR 66 -8.254 6.447 -9.290 517 HA TYR 66 HA TYR 66 -6.267 6.668 -11.446 518 HB2 TYR 66 HB2 TYR 66 -7.449 4.582 -12.354 519 HB3 TYR 66 HB1 TYR 66 -6.479 4.404 -10.900 520 HD1 TYR 66 HD1 TYR 66 -9.899 4.450 -12.250 521 HD2 TYR 66 HD2 TYR 66 -7.489 3.850 -8.800 522 HE1 TYR 66 HE1 TYR 66 -11.807 3.407 -11.105 523 HE2 TYR 66 HE2 TYR 66 -9.394 2.808 -7.646 524 HH TYR 66 HH TYR 66 -11.936 2.916 -7.822 525 H GLU 67 HN GLU 67 -7.738 8.817 -11.316 526 HA GLU 67 HA GLU 67 -10.021 8.685 -13.093 527 HB2 GLU 67 HB2 GLU 67 -8.591 11.092 -11.946 528 HB3 GLU 67 HB1 GLU 67 -10.184 11.076 -12.689 529 HG2 GLU 67 HG2 GLU 67 -11.117 9.866 -10.886 530 HG3 GLU 67 HG1 GLU 67 -9.526 9.508 -10.216 531 H GLN 68 HN GLN 68 -6.663 9.675 -13.117 532 HA GLN 68 HA GLN 68 -5.213 10.263 -14.748 533 HB2 GLN 68 HB2 GLN 68 -5.802 8.037 -15.605 534 HB3 GLN 68 HB1 GLN 68 -7.142 8.731 -16.505 535 HG2 GLN 68 HG2 GLN 68 -5.241 8.278 -17.948 536 HG3 GLN 68 HG1 GLN 68 -5.594 10.003 -17.875 537 HE21 GLN 68 HE21 GLN 68 -3.945 8.222 -15.343 538 HE22 GLN 68 HE22 GLN 68 -2.410 8.986 -15.557 539 HA PRO 69 HA PRO 69 -7.777 13.762 -16.309 540 HB2 PRO 69 HB2 PRO 69 -6.793 15.723 -14.769 541 HB3 PRO 69 HB1 PRO 69 -8.066 14.645 -14.188 542 HG2 PRO 69 HG2 PRO 69 -5.156 14.653 -13.557 543 HG3 PRO 69 HG1 PRO 69 -6.532 14.258 -12.515 544 HD2 PRO 69 HD2 PRO 69 -4.881 12.413 -13.814 545 HD3 PRO 69 HD1 PRO 69 -6.473 12.071 -13.113 546 H PHE 70 HN PHE 70 -7.033 14.605 -18.155 547 HA PHE 70 HA PHE 70 -4.156 14.800 -18.560 548 HB2 PHE 70 HB2 PHE 70 -6.435 15.211 -20.510 549 HB3 PHE 70 HB1 PHE 70 -4.725 15.166 -20.924 550 HD1 PHE 70 HD1 PHE 70 -7.670 13.212 -20.112 551 HD2 PHE 70 HD2 PHE 70 -3.468 13.058 -20.769 552 HE1 PHE 70 HE1 PHE 70 -7.806 10.771 -20.388 553 HE2 PHE 70 HE2 PHE 70 -3.600 10.620 -21.048 554 HZ PHE 70 HZ PHE 70 -5.768 9.473 -20.857 555 H LYS 71 HN LYS 71 -5.100 16.586 -16.726 556 HA LYS 71 HA LYS 71 -5.452 19.164 -18.028 557 HB2 LYS 71 HB2 LYS 71 -6.726 18.423 -15.966 558 HB3 LYS 71 HB1 LYS 71 -5.218 18.560 -15.077 559 HG2 LYS 71 HG2 LYS 71 -6.482 20.535 -14.694 560 HG3 LYS 71 HG1 LYS 71 -5.131 20.959 -15.745 561 HD2 LYS 71 HD2 LYS 71 -6.556 20.981 -17.673 562 HD3 LYS 71 HD1 LYS 71 -7.907 20.338 -16.738 563 HE2 LYS 71 HE2 LYS 71 -8.211 22.707 -17.063 564 HE3 LYS 71 HE1 LYS 71 -7.886 22.384 -15.363 565 HZ1 LYS 71 HZ1 LYS 71 -6.023 23.506 -17.379 566 HZ2 LYS 71 HZ2 LYS 71 -5.520 22.971 -15.855 567 HZ3 LYS 71 HZ3 LYS 71 -6.611 24.257 -15.978 568 H HIS 72 HN HIS 72 -3.362 19.264 -19.039 569 HA HIS 72 HA HIS 72 -1.066 19.267 -17.226 570 HB2 HIS 72 HB2 HIS 72 -1.201 19.188 -20.243 571 HB3 HIS 72 HB1 HIS 72 0.300 19.289 -19.330 572 HD1 HIS 72 HD1 HIS 72 -2.112 16.905 -20.659 573 HD2 HIS 72 HD2 HIS 72 0.746 16.942 -17.641 574 HE1 HIS 72 HE1 HIS 72 -1.714 14.493 -20.080 575 HE2 HIS 72 HE2 HIS 72 0.100 14.530 -18.327 576 H ILE 73 HN ILE 73 -1.372 21.146 -20.213 577 HA ILE 73 HA ILE 73 -0.550 23.482 -18.636 578 HB ILE 73 HB ILE 73 0.084 24.448 -20.915 579 HG12 ILE 73 HG12 ILE 73 0.812 22.512 -22.497 580 HG13 ILE 73 HG11 ILE 73 -0.415 21.577 -21.657 581 HG21 ILE 73 HG21 ILE 73 1.582 22.093 -19.795 582 HG22 ILE 73 HG22 ILE 73 1.705 23.770 -19.265 583 HG23 ILE 73 HG23 ILE 73 2.256 23.311 -20.875 584 HD11 ILE 73 HD11 ILE 73 -0.880 24.135 -23.171 585 HD12 ILE 73 HD12 ILE 73 -2.113 23.184 -22.342 586 HD13 ILE 73 HD13 ILE 73 -1.263 22.506 -23.731 587 H ASN 74 HN ASN 74 -3.150 22.222 -20.402 588 HA ASN 74 HA ASN 74 -4.350 24.867 -20.766 589 HB2 ASN 74 HB2 ASN 74 -4.463 23.376 -22.706 590 HB3 ASN 74 HB1 ASN 74 -5.262 22.145 -21.734 591 HD21 ASN 74 HD21 ASN 74 -7.407 22.464 -21.094 592 HD22 ASN 74 HD22 ASN 74 -8.428 23.609 -21.897 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -4.790 15.440 -1.743 2 H2 MET 1 HT2 MET 1 -5.814 14.136 -1.439 3 H3 MET 1 HT3 MET 1 -6.461 15.615 -1.936 4 HA MET 1 HA MET 1 -6.443 14.006 -3.730 5 HB2 MET 1 HB2 MET 1 -6.160 16.463 -4.139 6 HB3 MET 1 HB1 MET 1 -4.423 16.216 -4.178 7 HG2 MET 1 HG2 MET 1 -4.636 14.813 -6.118 8 HG3 MET 1 HG1 MET 1 -6.390 14.913 -6.019 9 HE1 MET 1 HE1 MET 1 -3.078 16.828 -6.730 10 HE2 MET 1 HE2 MET 1 -3.781 17.862 -5.485 11 HE3 MET 1 HE3 MET 1 -3.646 18.445 -7.143 12 H ALA 2 HN ALA 2 -5.029 12.856 -5.346 13 HA ALA 2 HA ALA 2 -3.692 10.943 -3.841 14 HB1 ALA 2 HB1 ALA 2 -4.788 10.544 -6.019 15 HB2 ALA 2 HB2 ALA 2 -3.182 9.827 -5.884 16 HB3 ALA 2 HB3 ALA 2 -3.410 11.313 -6.812 17 H SER 3 HN SER 3 -2.297 13.606 -5.722 18 HA SER 3 HA SER 3 0.364 12.720 -5.630 19 HB2 SER 3 HB2 SER 3 -0.367 14.486 -7.152 20 HB3 SER 3 HB1 SER 3 -0.703 15.548 -5.788 21 HG SER 3 HG SER 3 1.801 14.613 -6.729 22 H ASP 4 HN ASP 4 -1.421 14.825 -3.377 23 HA ASP 4 HA ASP 4 0.786 15.154 -1.596 24 HB2 ASP 4 HB2 ASP 4 -1.032 16.760 -1.572 25 HB3 ASP 4 HB1 ASP 4 -2.190 15.499 -1.167 26 H MET 5 HN MET 5 -1.754 12.830 -1.982 27 HA MET 5 HA MET 5 -1.470 11.534 0.516 28 HB2 MET 5 HB2 MET 5 -3.450 11.408 -1.043 29 HB3 MET 5 HB1 MET 5 -2.499 10.323 -2.046 30 HG2 MET 5 HG2 MET 5 -3.998 9.075 -0.625 31 HG3 MET 5 HG1 MET 5 -2.321 8.756 -0.186 32 HE1 MET 5 HE1 MET 5 -3.053 7.715 2.149 33 HE2 MET 5 HE2 MET 5 -4.731 7.963 1.668 34 HE3 MET 5 HE3 MET 5 -4.177 8.509 3.251 35 H GLU 6 HN GLU 6 -0.021 10.962 -2.687 36 HA GLU 6 HA GLU 6 1.050 8.437 -2.061 37 HB2 GLU 6 HB2 GLU 6 2.377 8.632 -4.080 38 HB3 GLU 6 HB1 GLU 6 0.731 9.176 -4.363 39 HG2 GLU 6 HG2 GLU 6 1.450 11.488 -4.234 40 HG3 GLU 6 HG1 GLU 6 3.098 10.965 -3.881 41 H GLU 7 HN GLU 7 2.454 11.664 -1.725 42 HA GLU 7 HA GLU 7 5.065 10.819 -1.117 43 HB2 GLU 7 HB2 GLU 7 5.335 13.020 -0.002 44 HB3 GLU 7 HB1 GLU 7 4.673 13.132 -1.624 45 HG2 GLU 7 HG2 GLU 7 2.494 13.534 -0.784 46 HG3 GLU 7 HG1 GLU 7 3.015 13.222 0.871 47 H LYS 8 HN LYS 8 2.191 11.177 0.866 48 HA LYS 8 HA LYS 8 3.373 10.651 3.362 49 HB2 LYS 8 HB2 LYS 8 0.588 10.312 2.281 50 HB3 LYS 8 HB1 LYS 8 0.999 9.809 3.916 51 HG2 LYS 8 HG2 LYS 8 1.587 12.577 2.956 52 HG3 LYS 8 HG1 LYS 8 0.004 12.131 3.605 53 HD2 LYS 8 HD2 LYS 8 1.060 11.357 5.661 54 HD3 LYS 8 HD1 LYS 8 2.645 11.780 5.017 55 HE2 LYS 8 HE2 LYS 8 0.421 13.774 5.379 56 HE3 LYS 8 HE1 LYS 8 1.642 13.452 6.609 57 HZ1 LYS 8 HZ1 LYS 8 2.245 15.358 5.273 58 HZ2 LYS 8 HZ2 LYS 8 2.163 14.439 3.859 59 HZ3 LYS 8 HZ3 LYS 8 3.348 14.102 5.014 60 H PHE 9 HN PHE 9 2.190 8.507 0.809 61 HA PHE 9 HA PHE 9 2.526 6.085 2.252 62 HB2 PHE 9 HB2 PHE 9 2.717 6.527 -0.737 63 HB3 PHE 9 HB1 PHE 9 2.530 4.972 0.061 64 HD1 PHE 9 HD1 PHE 9 0.803 6.606 -2.042 65 HD2 PHE 9 HD2 PHE 9 0.488 5.756 2.113 66 HE1 PHE 9 HE1 PHE 9 -1.636 6.872 -2.177 67 HE2 PHE 9 HE2 PHE 9 -1.951 6.009 1.982 68 HZ PHE 9 HZ PHE 9 -3.012 6.577 -0.163 69 H ARG 10 HN ARG 10 4.593 7.992 0.155 70 HA ARG 10 HA ARG 10 6.807 6.315 0.009 71 HB2 ARG 10 HB2 ARG 10 6.604 8.288 -1.386 72 HB3 ARG 10 HB1 ARG 10 6.653 9.331 0.027 73 HG2 ARG 10 HG2 ARG 10 8.961 8.573 0.466 74 HG3 ARG 10 HG1 ARG 10 8.899 7.629 -1.021 75 HD2 ARG 10 HD2 ARG 10 8.535 9.645 -2.317 76 HD3 ARG 10 HD1 ARG 10 8.521 10.602 -0.840 77 HE ARG 10 HE ARG 10 10.930 9.060 -1.313 78 HH11 ARG 10 HH11 ARG 10 9.300 12.132 -1.651 79 HH12 ARG 10 HH12 ARG 10 10.764 13.036 -1.868 80 HH21 ARG 10 HH21 ARG 10 12.863 10.237 -1.589 81 HH22 ARG 10 HH22 ARG 10 12.796 11.954 -1.830 82 H GLU 11 HN GLU 11 5.999 8.797 2.376 83 HA GLU 11 HA GLU 11 8.375 8.513 3.888 84 HB2 GLU 11 HB2 GLU 11 7.058 10.537 4.018 85 HB3 GLU 11 HB1 GLU 11 5.679 9.640 4.641 86 HG2 GLU 11 HG2 GLU 11 6.945 9.095 6.654 87 HG3 GLU 11 HG1 GLU 11 8.325 9.999 6.029 88 H ALA 12 HN ALA 12 5.116 7.197 4.256 89 HA ALA 12 HA ALA 12 5.551 5.827 6.669 90 HB1 ALA 12 HB1 ALA 12 3.319 6.261 5.757 91 HB2 ALA 12 HB2 ALA 12 3.552 4.548 6.110 92 HB3 ALA 12 HB3 ALA 12 3.635 5.124 4.446 93 H PHE 13 HN PHE 13 6.057 4.921 3.318 94 HA PHE 13 HA PHE 13 6.627 2.208 3.618 95 HB2 PHE 13 HB2 PHE 13 6.349 3.477 1.456 96 HB3 PHE 13 HB1 PHE 13 7.976 4.103 1.685 97 HD1 PHE 13 HD1 PHE 13 9.848 2.859 1.011 98 HD2 PHE 13 HD2 PHE 13 6.033 0.995 1.260 99 HE1 PHE 13 HE1 PHE 13 10.744 0.872 -0.138 100 HE2 PHE 13 HE2 PHE 13 6.918 -0.992 0.130 101 HZ PHE 13 HZ PHE 13 9.279 -1.061 -0.574 102 H ILE 14 HN ILE 14 8.703 5.047 3.902 103 HA ILE 14 HA ILE 14 11.131 3.668 4.250 104 HB ILE 14 HB ILE 14 10.373 6.404 5.288 105 HG12 ILE 14 HG12 ILE 14 11.782 5.602 2.728 106 HG13 ILE 14 HG11 ILE 14 10.107 6.133 2.832 107 HG21 ILE 14 HG21 ILE 14 12.774 6.819 5.352 108 HG22 ILE 14 HG22 ILE 14 13.083 5.172 4.799 109 HG23 ILE 14 HG23 ILE 14 12.349 5.448 6.381 110 HD11 ILE 14 HD11 ILE 14 12.518 7.785 3.548 111 HD12 ILE 14 HD12 ILE 14 10.837 8.317 3.611 112 HD13 ILE 14 HD13 ILE 14 11.577 7.913 2.062 113 H LEU 15 HN LEU 15 8.756 4.895 6.595 114 HA LEU 15 HA LEU 15 10.191 4.192 8.903 115 HB2 LEU 15 HB2 LEU 15 7.319 4.727 8.332 116 HB3 LEU 15 HB1 LEU 15 7.772 4.049 9.879 117 HG LEU 15 HG LEU 15 9.263 5.999 10.257 118 HD11 LEU 15 HD11 LEU 15 7.968 7.076 7.764 119 HD12 LEU 15 HD12 LEU 15 9.666 6.639 7.950 120 HD13 LEU 15 HD13 LEU 15 8.995 7.984 8.872 121 HD21 LEU 15 HD21 LEU 15 7.454 7.588 10.724 122 HD22 LEU 15 HD22 LEU 15 7.035 5.945 11.211 123 HD23 LEU 15 HD23 LEU 15 6.364 6.623 9.728 124 H PHE 16 HN PHE 16 7.720 2.399 7.085 125 HA PHE 16 HA PHE 16 7.705 0.188 8.871 126 HB2 PHE 16 HB2 PHE 16 6.617 0.653 6.119 127 HB3 PHE 16 HB1 PHE 16 6.600 -0.964 6.812 128 HD1 PHE 16 HD1 PHE 16 4.792 -1.621 8.070 129 HD2 PHE 16 HD2 PHE 16 5.598 2.535 7.640 130 HE1 PHE 16 HE1 PHE 16 2.700 -1.098 9.253 131 HE2 PHE 16 HE2 PHE 16 3.509 3.066 8.826 132 HZ PHE 16 HZ PHE 16 2.058 1.248 9.635 133 H SER 17 HN SER 17 9.502 0.871 5.904 134 HA SER 17 HA SER 17 10.637 -1.794 5.858 135 HB2 SER 17 HB2 SER 17 11.424 0.625 4.216 136 HB3 SER 17 HB1 SER 17 11.812 -1.061 3.871 137 HG SER 17 HG SER 17 9.370 0.300 3.636 138 H SER 18 HN SER 18 11.345 1.233 7.250 139 HA SER 18 HA SER 18 12.886 1.942 8.718 140 HB2 SER 18 HB2 SER 18 13.891 -0.912 8.679 141 HB3 SER 18 HB1 SER 18 14.340 0.322 9.857 142 HG SER 18 HG SER 18 12.086 0.447 10.409 143 H CYS 19 HN CYS 19 14.795 -0.443 6.902 144 HA CYS 19 HA CYS 19 16.369 1.720 5.728 145 HB2 CYS 19 HB2 CYS 19 17.603 -0.544 7.318 146 HB3 CYS 19 HB1 CYS 19 18.490 0.675 6.410 147 HG CYS 19 HG CYS 19 18.890 1.899 8.658 148 H SER 20 HN SER 20 14.509 0.107 4.503 149 HA SER 20 HA SER 20 16.204 -1.513 2.753 150 HB2 SER 20 HB2 SER 20 15.057 -3.075 4.243 151 HB3 SER 20 HB1 SER 20 13.504 -2.344 3.846 152 HG SER 20 HG SER 20 13.482 -3.853 2.374 153 H ASP 21 HN ASP 21 15.590 -1.560 0.615 154 HA ASP 21 HA ASP 21 13.827 0.590 -0.232 155 HB2 ASP 21 HB2 ASP 21 15.766 -1.205 -1.677 156 HB3 ASP 21 HB1 ASP 21 14.639 -0.176 -2.552 157 H HIS 22 HN HIS 22 13.662 -2.717 0.355 158 HA HIS 22 HA HIS 22 11.210 -2.923 -1.268 159 HB2 HIS 22 HB2 HIS 22 13.203 -5.120 -0.659 160 HB3 HIS 22 HB1 HIS 22 11.636 -5.381 -1.411 161 HD1 HIS 22 HD1 HIS 22 13.808 -6.371 -3.072 162 HD2 HIS 22 HD2 HIS 22 12.731 -2.356 -3.162 163 HE1 HIS 22 HE1 HIS 22 14.695 -5.477 -5.251 164 HE2 HIS 22 HE2 HIS 22 14.174 -3.013 -5.204 165 H ILE 23 HN ILE 23 9.428 -3.843 -0.271 166 HA ILE 23 HA ILE 23 9.669 -3.948 2.650 167 HB ILE 23 HB ILE 23 8.107 -2.291 1.789 168 HG12 ILE 23 HG12 ILE 23 6.002 -3.151 2.959 169 HG13 ILE 23 HG11 ILE 23 6.915 -4.625 3.260 170 HG21 ILE 23 HG21 ILE 23 7.468 -3.273 -0.303 171 HG22 ILE 23 HG22 ILE 23 6.020 -2.983 0.664 172 HG23 ILE 23 HG23 ILE 23 6.677 -4.615 0.525 173 HD11 ILE 23 HD11 ILE 23 6.972 -3.128 5.165 174 HD12 ILE 23 HD12 ILE 23 7.682 -1.864 4.160 175 HD13 ILE 23 HD13 ILE 23 8.581 -3.348 4.479 176 H GLU 24 HN GLU 24 9.255 -5.723 3.774 177 HA GLU 24 HA GLU 24 8.860 -8.254 2.567 178 HB2 GLU 24 HB2 GLU 24 8.585 -7.313 5.424 179 HB3 GLU 24 HB1 GLU 24 8.500 -9.000 4.933 180 HG2 GLU 24 HG2 GLU 24 10.732 -8.890 4.077 181 HG3 GLU 24 HG1 GLU 24 10.847 -7.185 4.488 182 H MET 25 HN MET 25 7.068 -9.534 2.460 183 HA MET 25 HA MET 25 4.639 -8.283 1.904 184 HB2 MET 25 HB2 MET 25 5.412 -11.143 2.356 185 HB3 MET 25 HB1 MET 25 3.729 -10.702 2.108 186 HG2 MET 25 HG2 MET 25 5.960 -10.055 0.200 187 HG3 MET 25 HG1 MET 25 4.882 -11.442 0.056 188 HE1 MET 25 HE1 MET 25 4.198 -10.737 -2.393 189 HE2 MET 25 HE2 MET 25 5.313 -9.376 -2.281 190 HE3 MET 25 HE3 MET 25 3.657 -9.116 -2.827 191 H TYR 26 HN TYR 26 5.834 -9.667 4.910 192 HA TYR 26 HA TYR 26 3.247 -9.702 6.144 193 HB2 TYR 26 HB2 TYR 26 4.286 -10.687 7.921 194 HB3 TYR 26 HB1 TYR 26 5.508 -11.006 6.711 195 HD1 TYR 26 HD1 TYR 26 4.667 -9.099 9.713 196 HD2 TYR 26 HD2 TYR 26 7.649 -9.806 6.761 197 HE1 TYR 26 HE1 TYR 26 6.328 -7.979 11.129 198 HE2 TYR 26 HE2 TYR 26 9.317 -8.684 8.174 199 HH TYR 26 HH TYR 26 8.667 -7.835 11.457 200 H LYS 27 HN LYS 27 6.001 -7.501 6.117 201 HA LYS 27 HA LYS 27 4.912 -5.725 8.055 202 HB2 LYS 27 HB2 LYS 27 7.341 -6.260 7.583 203 HB3 LYS 27 HB1 LYS 27 7.180 -5.326 6.107 204 HG2 LYS 27 HG2 LYS 27 8.192 -4.017 7.814 205 HG3 LYS 27 HG1 LYS 27 6.601 -3.379 7.419 206 HD2 LYS 27 HD2 LYS 27 5.662 -4.444 9.394 207 HD3 LYS 27 HD1 LYS 27 7.235 -5.144 9.777 208 HE2 LYS 27 HE2 LYS 27 8.166 -2.962 10.168 209 HE3 LYS 27 HE1 LYS 27 6.684 -2.184 9.611 210 HZ1 LYS 27 HZ1 LYS 27 5.502 -3.142 11.473 211 HZ2 LYS 27 HZ2 LYS 27 6.825 -2.239 12.030 212 HZ3 LYS 27 HZ3 LYS 27 6.908 -3.928 12.004 213 H PHE 28 HN PHE 28 4.883 -6.163 4.662 214 HA PHE 28 HA PHE 28 4.094 -3.587 3.833 215 HB2 PHE 28 HB2 PHE 28 4.948 -5.036 2.170 216 HB3 PHE 28 HB1 PHE 28 3.843 -6.331 2.615 217 HD1 PHE 28 HD1 PHE 28 4.039 -2.992 1.053 218 HD2 PHE 28 HD2 PHE 28 1.742 -6.525 1.624 219 HE1 PHE 28 HE1 PHE 28 2.458 -2.240 -0.671 220 HE2 PHE 28 HE2 PHE 28 0.153 -5.783 -0.091 221 HZ PHE 28 HZ PHE 28 0.494 -3.640 -1.240 222 H PHE 29 HN PHE 29 2.265 -6.417 4.914 223 HA PHE 29 HA PHE 29 -0.219 -5.444 3.959 224 HB2 PHE 29 HB2 PHE 29 0.470 -7.870 4.624 225 HB3 PHE 29 HB1 PHE 29 -0.043 -7.384 6.238 226 HD1 PHE 29 HD1 PHE 29 -2.387 -6.639 6.603 227 HD2 PHE 29 HD2 PHE 29 -1.124 -8.397 2.920 228 HE1 PHE 29 HE1 PHE 29 -4.729 -7.083 6.014 229 HE2 PHE 29 HE2 PHE 29 -3.469 -8.847 2.341 230 HZ PHE 29 HZ PHE 29 -5.273 -8.189 3.881 231 H GLU 30 HN GLU 30 1.373 -5.279 7.144 232 HA GLU 30 HA GLU 30 -0.718 -3.809 8.369 233 HB2 GLU 30 HB2 GLU 30 0.983 -3.152 10.056 234 HB3 GLU 30 HB1 GLU 30 0.878 -4.883 9.787 235 HG2 GLU 30 HG2 GLU 30 2.884 -4.819 8.433 236 HG3 GLU 30 HG1 GLU 30 2.971 -3.067 8.621 237 H LEU 31 HN LEU 31 1.964 -2.938 6.359 238 HA LEU 31 HA LEU 31 2.013 -0.174 6.748 239 HB2 LEU 31 HB2 LEU 31 3.836 -1.134 5.634 240 HB3 LEU 31 HB1 LEU 31 2.808 -1.984 4.502 241 HG LEU 31 HG LEU 31 2.225 0.307 3.540 242 HD11 LEU 31 HD11 LEU 31 3.015 1.685 5.370 243 HD12 LEU 31 HD12 LEU 31 3.894 2.061 3.886 244 HD13 LEU 31 HD13 LEU 31 4.655 1.080 5.138 245 HD21 LEU 31 HD21 LEU 31 5.058 -0.694 3.331 246 HD22 LEU 31 HD22 LEU 31 4.241 0.355 2.172 247 HD23 LEU 31 HD23 LEU 31 3.675 -1.297 2.419 248 H MET 32 HN MET 32 -0.032 -2.143 4.686 249 HA MET 32 HA MET 32 -1.046 0.305 3.457 250 HB2 MET 32 HB2 MET 32 -2.092 -1.320 1.772 251 HB3 MET 32 HB1 MET 32 -0.350 -1.098 1.741 252 HG2 MET 32 HG2 MET 32 -0.737 -3.384 1.471 253 HG3 MET 32 HG1 MET 32 -0.187 -3.179 3.132 254 HE1 MET 32 HE1 MET 32 -1.636 -5.766 1.960 255 HE2 MET 32 HE2 MET 32 -2.569 -4.749 0.861 256 HE3 MET 32 HE3 MET 32 -3.401 -5.767 2.042 257 H ASN 33 HN ASN 33 -2.197 -2.369 5.414 258 HA ASN 33 HA ASN 33 -4.941 -1.890 4.881 259 HB2 ASN 33 HB2 ASN 33 -5.470 -3.415 6.557 260 HB3 ASN 33 HB1 ASN 33 -3.884 -3.967 6.035 261 HD21 ASN 33 HD21 ASN 33 -2.155 -3.768 7.411 262 HD22 ASN 33 HD22 ASN 33 -2.332 -3.366 9.086 263 H SER 34 HN SER 34 -2.603 -0.320 6.832 264 HA SER 34 HA SER 34 -4.351 0.900 8.712 265 HB2 SER 34 HB2 SER 34 -2.395 2.482 9.029 266 HB3 SER 34 HB1 SER 34 -2.027 0.771 9.256 267 HG SER 34 HG SER 34 -0.599 2.178 7.848 268 H PHE 35 HN PHE 35 -3.411 1.621 5.452 269 HA PHE 35 HA PHE 35 -4.530 4.299 5.530 270 HB2 PHE 35 HB2 PHE 35 -3.280 2.659 3.326 271 HB3 PHE 35 HB1 PHE 35 -3.972 4.256 3.057 272 HD1 PHE 35 HD1 PHE 35 -3.042 6.176 4.496 273 HD2 PHE 35 HD2 PHE 35 -1.066 2.446 3.968 274 HE1 PHE 35 HE1 PHE 35 -0.913 7.215 5.146 275 HE2 PHE 35 HE2 PHE 35 1.069 3.479 4.622 276 HZ PHE 35 HZ PHE 35 1.147 5.868 5.213 277 H GLY 36 HN GLY 36 -5.854 1.343 5.480 278 HA2 GLY 36 HA2 GLY 36 -8.053 0.737 5.113 279 HA3 GLY 36 HA1 GLY 36 -8.338 2.327 4.421 280 H ILE 37 HN ILE 37 -5.687 0.549 3.167 281 HA ILE 37 HA ILE 37 -6.904 0.404 0.581 282 HB ILE 37 HB ILE 37 -4.264 -0.683 1.572 283 HG12 ILE 37 HG12 ILE 37 -4.893 1.782 -0.068 284 HG13 ILE 37 HG11 ILE 37 -4.512 1.787 1.651 285 HG21 ILE 37 HG21 ILE 37 -5.294 -0.408 -1.252 286 HG22 ILE 37 HG22 ILE 37 -5.018 -1.919 -0.385 287 HG23 ILE 37 HG23 ILE 37 -3.655 -0.877 -0.798 288 HD11 ILE 37 HD11 ILE 37 -2.680 0.868 -0.549 289 HD12 ILE 37 HD12 ILE 37 -2.301 0.915 1.174 290 HD13 ILE 37 HD13 ILE 37 -2.596 2.415 0.294 291 H ILE 38 HN ILE 38 -7.954 -1.235 -0.307 292 HA ILE 38 HA ILE 38 -8.292 -3.679 1.229 293 HB ILE 38 HB ILE 38 -9.751 -2.600 -1.191 294 HG12 ILE 38 HG12 ILE 38 -10.649 -2.811 1.692 295 HG13 ILE 38 HG11 ILE 38 -10.100 -1.327 0.920 296 HG21 ILE 38 HG21 ILE 38 -10.388 -4.984 0.520 297 HG22 ILE 38 HG22 ILE 38 -9.741 -5.034 -1.116 298 HG23 ILE 38 HG23 ILE 38 -11.353 -4.380 -0.825 299 HD11 ILE 38 HD11 ILE 38 -11.968 -1.446 -0.639 300 HD12 ILE 38 HD12 ILE 38 -12.523 -1.430 1.034 301 HD13 ILE 38 HD13 ILE 38 -12.512 -2.940 0.123 302 H LEU 39 HN LEU 39 -7.016 -5.345 0.729 303 HA LEU 39 HA LEU 39 -6.204 -5.727 -2.068 304 HB2 LEU 39 HB2 LEU 39 -4.492 -4.637 -0.393 305 HB3 LEU 39 HB1 LEU 39 -4.300 -6.286 0.165 306 HG LEU 39 HG LEU 39 -3.947 -5.596 -2.736 307 HD11 LEU 39 HD11 LEU 39 -1.748 -5.623 -0.686 308 HD12 LEU 39 HD12 LEU 39 -2.504 -4.144 -1.277 309 HD13 LEU 39 HD13 LEU 39 -1.637 -5.197 -2.393 310 HD21 LEU 39 HD21 LEU 39 -4.138 -7.966 -2.031 311 HD22 LEU 39 HD22 LEU 39 -2.706 -7.734 -1.021 312 HD23 LEU 39 HD23 LEU 39 -2.588 -7.563 -2.775 313 H THR 40 HN THR 40 -6.782 -7.678 -2.725 314 HA THR 40 HA THR 40 -7.581 -9.658 -0.750 315 HB THR 40 HB THR 40 -8.340 -10.922 -2.846 316 HG1 THR 40 HG1 THR 40 -7.834 -8.337 -3.975 317 HG21 THR 40 HG21 THR 40 -9.557 -8.245 -2.177 318 HG22 THR 40 HG22 THR 40 -9.873 -9.774 -1.357 319 HG23 THR 40 HG23 THR 40 -10.370 -9.555 -3.034 320 H ASN 41 HN ASN 41 -7.117 -12.006 -1.299 321 HA ASN 41 HA ASN 41 -4.329 -12.448 -1.242 322 HB2 ASN 41 HB2 ASN 41 -5.886 -14.019 -0.211 323 HB3 ASN 41 HB1 ASN 41 -6.580 -14.402 -1.781 324 HD21 ASN 41 HD21 ASN 41 -3.811 -14.772 0.295 325 HD22 ASN 41 HD22 ASN 41 -3.084 -16.073 -0.579 326 H ASP 42 HN ASP 42 -6.716 -12.620 -3.800 327 HA ASP 42 HA ASP 42 -5.149 -13.708 -5.843 328 HB2 ASP 42 HB2 ASP 42 -7.482 -13.520 -6.222 329 HB3 ASP 42 HB1 ASP 42 -7.483 -11.799 -5.856 330 H GLU 43 HN GLU 43 -5.519 -10.385 -4.724 331 HA GLU 43 HA GLU 43 -3.821 -9.256 -6.705 332 HB2 GLU 43 HB2 GLU 43 -4.724 -8.210 -4.021 333 HB3 GLU 43 HB1 GLU 43 -3.804 -7.267 -5.188 334 HG2 GLU 43 HG2 GLU 43 -5.579 -7.393 -6.784 335 HG3 GLU 43 HG1 GLU 43 -6.473 -8.521 -5.770 336 H LYS 44 HN LYS 44 -3.294 -10.361 -3.364 337 HA LYS 44 HA LYS 44 -0.621 -9.733 -3.076 338 HB2 LYS 44 HB2 LYS 44 -2.154 -12.143 -2.118 339 HB3 LYS 44 HB1 LYS 44 -0.540 -11.719 -1.563 340 HG2 LYS 44 HG2 LYS 44 -2.819 -9.795 -1.382 341 HG3 LYS 44 HG1 LYS 44 -2.522 -10.992 -0.131 342 HD2 LYS 44 HD2 LYS 44 -0.490 -8.981 -1.081 343 HD3 LYS 44 HD1 LYS 44 -1.511 -8.766 0.342 344 HE2 LYS 44 HE2 LYS 44 -0.540 -10.774 1.341 345 HE3 LYS 44 HE1 LYS 44 0.475 -10.994 -0.083 346 HZ1 LYS 44 HZ1 LYS 44 1.540 -9.877 1.876 347 HZ2 LYS 44 HZ2 LYS 44 0.556 -8.539 1.556 348 HZ3 LYS 44 HZ3 LYS 44 1.678 -9.060 0.402 349 H ALA 45 HN ALA 45 -2.089 -12.401 -4.832 350 HA ALA 45 HA ALA 45 0.326 -13.758 -5.439 351 HB1 ALA 45 HB1 ALA 45 -2.280 -13.768 -6.962 352 HB2 ALA 45 HB2 ALA 45 -1.880 -14.823 -5.606 353 HB3 ALA 45 HB3 ALA 45 -0.976 -14.947 -7.115 354 H ALA 46 HN ALA 46 -1.245 -10.970 -6.750 355 HA ALA 46 HA ALA 46 0.319 -11.014 -9.204 356 HB1 ALA 46 HB1 ALA 46 -2.012 -10.266 -9.288 357 HB2 ALA 46 HB2 ALA 46 -0.904 -8.991 -9.793 358 HB3 ALA 46 HB3 ALA 46 -1.627 -8.946 -8.185 359 H LEU 47 HN LEU 47 0.503 -9.743 -6.037 360 HA LEU 47 HA LEU 47 2.151 -7.492 -6.552 361 HB2 LEU 47 HB2 LEU 47 1.879 -9.175 -4.076 362 HB3 LEU 47 HB1 LEU 47 2.753 -7.668 -4.138 363 HG LEU 47 HG LEU 47 -0.104 -8.204 -3.846 364 HD11 LEU 47 HD11 LEU 47 1.730 -5.936 -3.166 365 HD12 LEU 47 HD12 LEU 47 1.050 -7.151 -2.076 366 HD13 LEU 47 HD13 LEU 47 0.004 -5.939 -2.818 367 HD21 LEU 47 HD21 LEU 47 0.005 -7.383 -6.155 368 HD22 LEU 47 HD22 LEU 47 0.703 -5.882 -5.542 369 HD23 LEU 47 HD23 LEU 47 -0.926 -6.371 -5.055 370 HA PRO 48 HA PRO 48 5.898 -9.676 -7.673 371 HB2 PRO 48 HB2 PRO 48 7.144 -7.115 -6.840 372 HB3 PRO 48 HB1 PRO 48 7.280 -7.985 -8.371 373 HG2 PRO 48 HG2 PRO 48 5.832 -5.751 -8.184 374 HG3 PRO 48 HG1 PRO 48 5.308 -7.106 -9.201 375 HD2 PRO 48 HD2 PRO 48 4.322 -6.262 -6.508 376 HD3 PRO 48 HD1 PRO 48 3.416 -6.897 -7.897 377 H ASN 49 HN ASN 49 7.611 -10.609 -6.603 378 HA ASN 49 HA ASN 49 7.327 -10.978 -3.821 379 HB2 ASN 49 HB2 ASN 49 9.538 -11.738 -5.729 380 HB3 ASN 49 HB1 ASN 49 9.564 -12.165 -4.021 381 HD21 ASN 49 HD21 ASN 49 8.102 -12.762 -7.102 382 HD22 ASN 49 HD22 ASN 49 7.202 -14.164 -6.633 383 H ASP 50 HN ASP 50 9.253 -8.794 -5.725 384 HA ASP 50 HA ASP 50 10.189 -7.596 -3.201 385 HB2 ASP 50 HB2 ASP 50 11.356 -7.474 -5.984 386 HB3 ASP 50 HB1 ASP 50 11.811 -6.334 -4.726 387 H ILE 51 HN ILE 51 8.937 -5.960 -2.618 388 HA ILE 51 HA ILE 51 7.677 -4.330 -4.708 389 HB ILE 51 HB ILE 51 6.984 -4.512 -1.774 390 HG12 ILE 51 HG12 ILE 51 5.513 -5.563 -4.202 391 HG13 ILE 51 HG11 ILE 51 6.421 -6.548 -3.059 392 HG21 ILE 51 HG21 ILE 51 4.994 -3.196 -2.392 393 HG22 ILE 51 HG22 ILE 51 5.634 -3.025 -4.025 394 HG23 ILE 51 HG23 ILE 51 6.492 -2.308 -2.664 395 HD11 ILE 51 HD11 ILE 51 4.878 -5.896 -1.282 396 HD12 ILE 51 HD12 ILE 51 4.041 -6.674 -2.625 397 HD13 ILE 51 HD13 ILE 51 3.966 -4.922 -2.436 398 H ASN 52 HN ASN 52 8.598 -2.436 -5.147 399 HA ASN 52 HA ASN 52 10.132 -1.131 -3.004 400 HB2 ASN 52 HB2 ASN 52 11.161 0.223 -4.884 401 HB3 ASN 52 HB1 ASN 52 11.609 -1.463 -4.797 402 HD21 ASN 52 HD21 ASN 52 8.524 -0.386 -6.053 403 HD22 ASN 52 HD22 ASN 52 8.840 -0.808 -7.700 404 H MET 53 HN MET 53 10.300 1.375 -3.680 405 HA MET 53 HA MET 53 7.937 2.496 -2.737 406 HB2 MET 53 HB2 MET 53 10.215 3.516 -2.650 407 HB3 MET 53 HB1 MET 53 10.055 3.903 -4.358 408 HG2 MET 53 HG2 MET 53 9.452 5.865 -3.285 409 HG3 MET 53 HG1 MET 53 7.922 5.095 -3.702 410 HE1 MET 53 HE1 MET 53 9.731 5.193 0.533 411 HE2 MET 53 HE2 MET 53 10.442 5.981 -0.876 412 HE3 MET 53 HE3 MET 53 10.426 4.221 -0.763 413 H ASP 54 HN ASP 54 9.154 2.316 -6.062 414 HA ASP 54 HA ASP 54 7.278 3.932 -7.311 415 HB2 ASP 54 HB2 ASP 54 8.910 1.607 -8.264 416 HB3 ASP 54 HB1 ASP 54 7.720 2.342 -9.332 417 H TYR 55 HN TYR 55 7.104 0.450 -6.686 418 HA TYR 55 HA TYR 55 4.579 0.144 -7.966 419 HB2 TYR 55 HB2 TYR 55 6.264 -1.708 -7.556 420 HB3 TYR 55 HB1 TYR 55 5.747 -1.687 -5.873 421 HD1 TYR 55 HD1 TYR 55 3.848 -2.904 -5.189 422 HD2 TYR 55 HD2 TYR 55 4.498 -2.179 -9.330 423 HE1 TYR 55 HE1 TYR 55 2.004 -4.413 -5.738 424 HE2 TYR 55 HE2 TYR 55 2.647 -3.694 -9.886 425 HH TYR 55 HH TYR 55 1.445 -5.581 -8.879 426 H TRP 56 HN TRP 56 5.636 0.598 -4.630 427 HA TRP 56 HA TRP 56 3.228 0.195 -3.322 428 HB2 TRP 56 HB2 TRP 56 5.293 0.369 -2.108 429 HB3 TRP 56 HB1 TRP 56 5.562 2.003 -2.690 430 HD1 TRP 56 HD1 TRP 56 5.492 3.401 -0.547 431 HE1 TRP 56 HE1 TRP 56 3.798 3.760 1.352 432 HE3 TRP 56 HE3 TRP 56 2.116 -0.219 -1.796 433 HZ2 TRP 56 HZ2 TRP 56 1.336 2.662 2.200 434 HZ3 TRP 56 HZ3 TRP 56 0.108 -0.499 -0.393 435 HH2 TRP 56 HH2 TRP 56 -0.266 0.916 1.563 436 H LEU 57 HN LEU 57 4.590 3.220 -4.590 437 HA LEU 57 HA LEU 57 2.455 4.877 -3.781 438 HB2 LEU 57 HB2 LEU 57 4.231 5.279 -6.187 439 HB3 LEU 57 HB1 LEU 57 3.354 6.516 -5.307 440 HG LEU 57 HG LEU 57 5.624 4.888 -4.181 441 HD11 LEU 57 HD11 LEU 57 5.566 7.710 -5.236 442 HD12 LEU 57 HD12 LEU 57 6.429 6.340 -5.936 443 HD13 LEU 57 HD13 LEU 57 6.912 6.979 -4.364 444 HD21 LEU 57 HD21 LEU 57 4.047 5.664 -2.483 445 HD22 LEU 57 HD22 LEU 57 4.188 7.311 -3.096 446 HD23 LEU 57 HD23 LEU 57 5.584 6.520 -2.362 447 H ASN 58 HN ASN 58 3.156 3.265 -6.830 448 HA ASN 58 HA ASN 58 0.956 4.330 -8.259 449 HB2 ASN 58 HB2 ASN 58 2.878 3.479 -9.469 450 HB3 ASN 58 HB1 ASN 58 2.632 1.870 -8.797 451 HD21 ASN 58 HD21 ASN 58 1.436 4.254 -11.037 452 HD22 ASN 58 HD22 ASN 58 0.420 3.183 -11.942 453 H PHE 59 HN PHE 59 1.470 1.328 -6.499 454 HA PHE 59 HA PHE 59 -0.929 0.067 -7.217 455 HB2 PHE 59 HB2 PHE 59 0.958 -1.087 -6.104 456 HB3 PHE 59 HB1 PHE 59 0.629 -0.181 -4.631 457 HD1 PHE 59 HD1 PHE 59 -0.323 -2.976 -6.703 458 HD2 PHE 59 HD2 PHE 59 -1.444 -0.592 -3.364 459 HE1 PHE 59 HE1 PHE 59 -1.912 -4.715 -5.999 460 HE2 PHE 59 HE2 PHE 59 -3.029 -2.323 -2.652 461 HZ PHE 59 HZ PHE 59 -3.270 -4.384 -3.982 462 H ALA 60 HN ALA 60 -0.098 2.240 -4.547 463 HA ALA 60 HA ALA 60 -2.624 1.972 -3.254 464 HB1 ALA 60 HB1 ALA 60 -1.906 3.852 -1.880 465 HB2 ALA 60 HB2 ALA 60 -0.571 4.164 -2.990 466 HB3 ALA 60 HB3 ALA 60 -0.608 2.669 -2.056 467 H LYS 61 HN LYS 61 -1.249 4.401 -5.443 468 HA LYS 61 HA LYS 61 -3.537 6.054 -5.357 469 HB2 LYS 61 HB2 LYS 61 -2.539 7.306 -7.174 470 HB3 LYS 61 HB1 LYS 61 -1.454 7.058 -5.818 471 HG2 LYS 61 HG2 LYS 61 -0.121 6.672 -7.596 472 HG3 LYS 61 HG1 LYS 61 -0.607 5.047 -7.170 473 HD2 LYS 61 HD2 LYS 61 -0.767 5.261 -9.551 474 HD3 LYS 61 HD1 LYS 61 -2.394 5.195 -8.862 475 HE2 LYS 61 HE2 LYS 61 -2.183 6.884 -10.642 476 HE3 LYS 61 HE1 LYS 61 -2.644 7.577 -9.093 477 HZ1 LYS 61 HZ1 LYS 61 -0.391 8.324 -8.768 478 HZ2 LYS 61 HZ2 LYS 61 -0.968 8.895 -10.253 479 HZ3 LYS 61 HZ3 LYS 61 0.108 7.588 -10.208 480 H LYS 62 HN LYS 62 -2.752 3.264 -7.188 481 HA LYS 62 HA LYS 62 -4.582 3.763 -9.328 482 HB2 LYS 62 HB2 LYS 62 -2.692 2.238 -9.622 483 HB3 LYS 62 HB1 LYS 62 -3.341 1.171 -8.385 484 HG2 LYS 62 HG2 LYS 62 -5.192 0.579 -9.742 485 HG3 LYS 62 HG1 LYS 62 -4.818 1.840 -10.913 486 HD2 LYS 62 HD2 LYS 62 -4.176 -0.393 -11.719 487 HD3 LYS 62 HD1 LYS 62 -2.791 0.685 -11.568 488 HE2 LYS 62 HE2 LYS 62 -3.445 -1.053 -9.252 489 HE3 LYS 62 HE1 LYS 62 -2.756 -1.821 -10.679 490 HZ1 LYS 62 HZ1 LYS 62 -1.547 0.431 -9.163 491 HZ2 LYS 62 HZ2 LYS 62 -0.894 -0.271 -10.555 492 HZ3 LYS 62 HZ3 LYS 62 -1.031 -1.181 -9.137 493 H HIS 63 HN HIS 63 -4.873 2.556 -6.127 494 HA HIS 63 HA HIS 63 -7.395 1.247 -6.517 495 HB2 HIS 63 HB2 HIS 63 -5.741 1.968 -4.127 496 HB3 HIS 63 HB1 HIS 63 -7.429 1.511 -3.905 497 HD1 HIS 63 HD1 HIS 63 -7.626 -0.882 -3.344 498 HD2 HIS 63 HD2 HIS 63 -4.478 -0.161 -5.956 499 HE1 HIS 63 HE1 HIS 63 -6.612 -3.132 -3.812 500 HE2 HIS 63 HE2 HIS 63 -4.892 -2.693 -5.596 501 H TYR 64 HN TYR 64 -6.310 4.446 -5.817 502 HA TYR 64 HA TYR 64 -9.025 5.414 -6.158 503 HB2 TYR 64 HB2 TYR 64 -8.384 7.111 -4.205 504 HB3 TYR 64 HB1 TYR 64 -9.210 5.595 -3.888 505 HD1 TYR 64 HD1 TYR 64 -5.918 7.287 -3.793 506 HD2 TYR 64 HD2 TYR 64 -8.200 3.906 -2.582 507 HE1 TYR 64 HE1 TYR 64 -4.121 6.642 -2.246 508 HE2 TYR 64 HE2 TYR 64 -6.416 3.249 -1.031 509 HH TYR 64 HH TYR 64 -3.915 5.277 -0.129 510 H ASN 65 HN ASN 65 -8.172 6.014 -8.185 511 HA ASN 65 HA ASN 65 -5.891 7.730 -8.412 512 HB2 ASN 65 HB2 ASN 65 -7.966 6.820 -10.403 513 HB3 ASN 65 HB1 ASN 65 -6.666 7.926 -10.828 514 HD21 ASN 65 HD21 ASN 65 -4.563 7.172 -10.953 515 HD22 ASN 65 HD22 ASN 65 -4.196 5.476 -10.976 516 H TYR 66 HN TYR 66 -6.885 9.283 -6.805 517 HA TYR 66 HA TYR 66 -8.856 11.114 -7.810 518 HB2 TYR 66 HB2 TYR 66 -7.034 11.114 -5.414 519 HB3 TYR 66 HB1 TYR 66 -8.014 12.520 -5.816 520 HD1 TYR 66 HD1 TYR 66 -10.219 12.654 -5.095 521 HD2 TYR 66 HD2 TYR 66 -8.272 8.866 -5.091 522 HE1 TYR 66 HE1 TYR 66 -12.135 11.678 -3.906 523 HE2 TYR 66 HE2 TYR 66 -10.190 7.886 -3.898 524 HH TYR 66 HH TYR 66 -12.031 8.691 -2.390 525 H GLU 67 HN GLU 67 -7.149 10.959 -9.790 526 HA GLU 67 HA GLU 67 -5.422 13.344 -9.656 527 HB2 GLU 67 HB2 GLU 67 -5.424 11.128 -11.712 528 HB3 GLU 67 HB1 GLU 67 -4.249 12.427 -11.573 529 HG2 GLU 67 HG2 GLU 67 -3.343 11.524 -9.592 530 HG3 GLU 67 HG1 GLU 67 -4.690 10.401 -9.401 531 H GLN 68 HN GLN 68 -8.063 11.784 -11.280 532 HA GLN 68 HA GLN 68 -9.027 14.225 -12.390 533 HB2 GLN 68 HB2 GLN 68 -9.013 13.331 -14.773 534 HB3 GLN 68 HB1 GLN 68 -7.467 13.884 -14.143 535 HG2 GLN 68 HG2 GLN 68 -6.834 11.563 -13.681 536 HG3 GLN 68 HG1 GLN 68 -8.378 11.019 -14.333 537 HE21 GLN 68 HE21 GLN 68 -7.398 9.801 -15.924 538 HE22 GLN 68 HE22 GLN 68 -6.631 10.509 -17.300 539 HA PRO 69 HA PRO 69 -12.367 11.307 -11.542 540 HB2 PRO 69 HB2 PRO 69 -14.174 13.127 -10.750 541 HB3 PRO 69 HB1 PRO 69 -12.838 12.627 -9.707 542 HG2 PRO 69 HG2 PRO 69 -13.137 15.102 -11.349 543 HG3 PRO 69 HG1 PRO 69 -12.449 14.907 -9.728 544 HD2 PRO 69 HD2 PRO 69 -10.973 15.102 -12.058 545 HD3 PRO 69 HD1 PRO 69 -10.390 14.376 -10.547 546 H PHE 70 HN PHE 70 -12.051 11.338 -14.092 547 HA PHE 70 HA PHE 70 -14.155 12.827 -15.427 548 HB2 PHE 70 HB2 PHE 70 -13.249 11.889 -17.514 549 HB3 PHE 70 HB1 PHE 70 -12.008 12.686 -16.563 550 HD1 PHE 70 HD1 PHE 70 -10.583 11.087 -15.031 551 HD2 PHE 70 HD2 PHE 70 -12.835 9.823 -18.410 552 HE1 PHE 70 HE1 PHE 70 -9.177 9.079 -15.214 553 HE2 PHE 70 HE2 PHE 70 -11.434 7.809 -18.594 554 HZ PHE 70 HZ PHE 70 -9.604 7.437 -16.991 555 H LYS 71 HN LYS 71 -15.815 11.785 -14.173 556 HA LYS 71 HA LYS 71 -16.273 9.016 -14.160 557 HB2 LYS 71 HB2 LYS 71 -17.208 10.675 -12.555 558 HB3 LYS 71 HB1 LYS 71 -18.334 11.182 -13.808 559 HG2 LYS 71 HG2 LYS 71 -19.490 9.166 -13.761 560 HG3 LYS 71 HG1 LYS 71 -18.165 8.318 -12.960 561 HD2 LYS 71 HD2 LYS 71 -18.550 9.756 -10.973 562 HD3 LYS 71 HD1 LYS 71 -19.990 10.397 -11.769 563 HE2 LYS 71 HE2 LYS 71 -20.671 8.645 -10.277 564 HE3 LYS 71 HE1 LYS 71 -20.854 8.067 -11.933 565 HZ1 LYS 71 HZ1 LYS 71 -18.664 7.400 -10.046 566 HZ2 LYS 71 HZ2 LYS 71 -18.666 6.963 -11.675 567 HZ3 LYS 71 HZ3 LYS 71 -19.854 6.354 -10.638 568 H HIS 72 HN HIS 72 -16.819 11.317 -16.630 569 HA HIS 72 HA HIS 72 -19.025 10.074 -17.894 570 HB2 HIS 72 HB2 HIS 72 -18.373 11.391 -19.909 571 HB3 HIS 72 HB1 HIS 72 -18.554 12.356 -18.454 572 HD1 HIS 72 HD1 HIS 72 -16.495 13.596 -17.593 573 HD2 HIS 72 HD2 HIS 72 -15.733 11.216 -20.917 574 HE1 HIS 72 HE1 HIS 72 -14.213 14.274 -18.406 575 HE2 HIS 72 HE2 HIS 72 -13.759 12.808 -20.399 576 H ILE 73 HN ILE 73 -15.821 9.063 -17.585 577 HA ILE 73 HA ILE 73 -16.363 6.993 -19.613 578 HB ILE 73 HB ILE 73 -13.609 7.977 -18.835 579 HG12 ILE 73 HG12 ILE 73 -15.172 8.397 -21.394 580 HG13 ILE 73 HG11 ILE 73 -14.821 9.634 -20.191 581 HG21 ILE 73 HG21 ILE 73 -14.488 5.996 -20.937 582 HG22 ILE 73 HG22 ILE 73 -13.668 5.610 -19.424 583 HG23 ILE 73 HG23 ILE 73 -12.833 6.544 -20.665 584 HD11 ILE 73 HD11 ILE 73 -12.796 8.169 -21.865 585 HD12 ILE 73 HD12 ILE 73 -12.435 9.395 -20.652 586 HD13 ILE 73 HD13 ILE 73 -13.344 9.827 -22.098 587 H ASN 74 HN ASN 74 -17.327 5.668 -18.093 588 HA ASN 74 HA ASN 74 -15.471 4.385 -16.221 589 HB2 ASN 74 HB2 ASN 74 -16.770 5.891 -14.832 590 HB3 ASN 74 HB1 ASN 74 -18.271 5.328 -15.555 591 HD21 ASN 74 HD21 ASN 74 -19.164 4.660 -13.645 592 HD22 ASN 74 HD22 ASN 74 -18.589 3.287 -12.763 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -6.316 16.186 -2.609 2 H2 MET 1 HT2 MET 1 -5.059 15.325 -1.876 3 H3 MET 1 HT3 MET 1 -6.386 14.500 -2.516 4 HA MET 1 HA MET 1 -5.801 15.160 -4.737 5 HB2 MET 1 HB2 MET 1 -4.722 17.321 -3.884 6 HB3 MET 1 HB1 MET 1 -3.300 16.351 -3.529 7 HG2 MET 1 HG2 MET 1 -2.992 17.429 -5.635 8 HG3 MET 1 HG1 MET 1 -3.202 15.701 -5.912 9 HE1 MET 1 HE1 MET 1 -4.850 17.469 -9.051 10 HE2 MET 1 HE2 MET 1 -3.564 16.393 -8.508 11 HE3 MET 1 HE3 MET 1 -3.497 18.111 -8.122 12 H ALA 2 HN ALA 2 -4.900 13.475 -5.801 13 HA ALA 2 HA ALA 2 -3.954 11.289 -4.290 14 HB1 ALA 2 HB1 ALA 2 -3.887 11.675 -7.279 15 HB2 ALA 2 HB2 ALA 2 -5.234 11.015 -6.353 16 HB3 ALA 2 HB3 ALA 2 -3.702 10.143 -6.425 17 H SER 3 HN SER 3 -2.295 13.712 -6.229 18 HA SER 3 HA SER 3 0.258 12.495 -6.152 19 HB2 SER 3 HB2 SER 3 1.041 14.888 -6.613 20 HB3 SER 3 HB1 SER 3 -0.085 14.192 -7.778 21 HG SER 3 HG SER 3 -0.551 16.391 -7.012 22 H ASP 4 HN ASP 4 -1.437 14.656 -3.979 23 HA ASP 4 HA ASP 4 0.743 15.057 -2.189 24 HB2 ASP 4 HB2 ASP 4 -1.083 16.628 -2.149 25 HB3 ASP 4 HB1 ASP 4 -2.251 15.343 -1.857 26 H MET 5 HN MET 5 -1.878 12.764 -2.464 27 HA MET 5 HA MET 5 -1.534 11.536 0.057 28 HB2 MET 5 HB2 MET 5 -3.612 11.453 -1.343 29 HB3 MET 5 HB1 MET 5 -2.788 10.317 -2.402 30 HG2 MET 5 HG2 MET 5 -4.238 9.167 -0.834 31 HG3 MET 5 HG1 MET 5 -2.548 8.751 -0.562 32 HE1 MET 5 HE1 MET 5 -4.900 8.172 1.530 33 HE2 MET 5 HE2 MET 5 -4.103 8.617 3.039 34 HE3 MET 5 HE3 MET 5 -3.216 7.725 1.802 35 H GLU 6 HN GLU 6 -0.225 10.787 -3.177 36 HA GLU 6 HA GLU 6 0.852 8.284 -2.527 37 HB2 GLU 6 HB2 GLU 6 2.307 8.510 -4.446 38 HB3 GLU 6 HB1 GLU 6 0.697 9.092 -4.839 39 HG2 GLU 6 HG2 GLU 6 1.443 11.381 -4.607 40 HG3 GLU 6 HG1 GLU 6 3.047 10.822 -4.131 41 H GLU 7 HN GLU 7 2.122 11.512 -2.080 42 HA GLU 7 HA GLU 7 4.712 10.880 -1.233 43 HB2 GLU 7 HB2 GLU 7 2.947 13.163 -0.342 44 HB3 GLU 7 HB1 GLU 7 4.695 13.095 -0.183 45 HG2 GLU 7 HG2 GLU 7 4.907 13.051 -2.612 46 HG3 GLU 7 HG1 GLU 7 3.152 13.113 -2.753 47 H LYS 8 HN LYS 8 1.650 10.970 0.480 48 HA LYS 8 HA LYS 8 2.681 10.762 3.105 49 HB2 LYS 8 HB2 LYS 8 -0.013 9.823 2.095 50 HB3 LYS 8 HB1 LYS 8 0.415 10.185 3.755 51 HG2 LYS 8 HG2 LYS 8 0.364 12.169 1.531 52 HG3 LYS 8 HG1 LYS 8 -0.888 11.959 2.749 53 HD2 LYS 8 HD2 LYS 8 0.626 12.593 4.495 54 HD3 LYS 8 HD1 LYS 8 1.980 12.629 3.370 55 HE2 LYS 8 HE2 LYS 8 -0.430 14.430 3.246 56 HE3 LYS 8 HE1 LYS 8 1.138 14.880 3.908 57 HZ1 LYS 8 HZ1 LYS 8 0.679 14.026 1.100 58 HZ2 LYS 8 HZ2 LYS 8 2.131 14.597 1.758 59 HZ3 LYS 8 HZ3 LYS 8 0.804 15.637 1.607 60 H PHE 9 HN PHE 9 1.856 8.392 0.648 61 HA PHE 9 HA PHE 9 2.166 6.126 2.362 62 HB2 PHE 9 HB2 PHE 9 2.251 6.360 -0.653 63 HB3 PHE 9 HB1 PHE 9 2.303 4.835 0.223 64 HD1 PHE 9 HD1 PHE 9 0.241 7.091 -1.415 65 HD2 PHE 9 HD2 PHE 9 0.319 4.516 1.950 66 HE1 PHE 9 HE1 PHE 9 -2.204 7.045 -1.418 67 HE2 PHE 9 HE2 PHE 9 -2.139 4.451 1.962 68 HZ PHE 9 HZ PHE 9 -3.409 5.718 0.274 69 H ARG 10 HN ARG 10 4.256 7.931 0.175 70 HA ARG 10 HA ARG 10 6.518 6.300 0.266 71 HB2 ARG 10 HB2 ARG 10 6.344 8.204 -1.261 72 HB3 ARG 10 HB1 ARG 10 6.366 9.317 0.102 73 HG2 ARG 10 HG2 ARG 10 8.636 8.564 0.659 74 HG3 ARG 10 HG1 ARG 10 8.608 7.496 -0.742 75 HD2 ARG 10 HD2 ARG 10 8.257 9.472 -2.185 76 HD3 ARG 10 HD1 ARG 10 8.425 10.493 -0.760 77 HE ARG 10 HE ARG 10 10.681 8.884 -0.855 78 HH11 ARG 10 HH11 ARG 10 9.193 11.410 -2.760 79 HH12 ARG 10 HH12 ARG 10 10.684 11.935 -3.468 80 HH21 ARG 10 HH21 ARG 10 12.653 9.576 -1.771 81 HH22 ARG 10 HH22 ARG 10 12.657 10.875 -2.922 82 H GLU 11 HN GLU 11 5.516 8.934 2.368 83 HA GLU 11 HA GLU 11 7.688 8.937 4.118 84 HB2 GLU 11 HB2 GLU 11 6.078 10.727 4.121 85 HB3 GLU 11 HB1 GLU 11 4.785 9.626 4.573 86 HG2 GLU 11 HG2 GLU 11 5.927 9.238 6.729 87 HG3 GLU 11 HG1 GLU 11 7.130 10.443 6.271 88 H ALA 12 HN ALA 12 4.677 7.094 4.201 89 HA ALA 12 HA ALA 12 5.155 5.850 6.697 90 HB1 ALA 12 HB1 ALA 12 2.922 5.998 5.743 91 HB2 ALA 12 HB2 ALA 12 3.354 4.321 6.067 92 HB3 ALA 12 HB3 ALA 12 3.404 4.942 4.418 93 H PHE 13 HN PHE 13 5.841 4.928 3.363 94 HA PHE 13 HA PHE 13 6.684 2.301 3.789 95 HB2 PHE 13 HB2 PHE 13 6.311 3.448 1.568 96 HB3 PHE 13 HB1 PHE 13 7.875 4.222 1.781 97 HD1 PHE 13 HD1 PHE 13 6.127 1.135 1.011 98 HD2 PHE 13 HD2 PHE 13 9.942 2.913 1.630 99 HE1 PHE 13 HE1 PHE 13 7.195 -0.809 -0.038 100 HE2 PHE 13 HE2 PHE 13 11.019 0.965 0.573 101 HZ PHE 13 HZ PHE 13 9.646 -0.898 -0.260 102 H ILE 14 HN ILE 14 8.438 5.358 3.995 103 HA ILE 14 HA ILE 14 10.996 4.313 4.453 104 HB ILE 14 HB ILE 14 9.847 6.907 5.494 105 HG12 ILE 14 HG12 ILE 14 11.446 6.335 2.985 106 HG13 ILE 14 HG11 ILE 14 9.717 6.659 3.027 107 HG21 ILE 14 HG21 ILE 14 11.880 6.207 6.665 108 HG22 ILE 14 HG22 ILE 14 12.169 7.633 5.665 109 HG23 ILE 14 HG23 ILE 14 12.713 6.046 5.119 110 HD11 ILE 14 HD11 ILE 14 10.156 8.898 3.890 111 HD12 ILE 14 HD12 ILE 14 10.968 8.624 2.348 112 HD13 ILE 14 HD13 ILE 14 11.890 8.573 3.850 113 H LEU 15 HN LEU 15 8.407 5.177 6.742 114 HA LEU 15 HA LEU 15 9.895 4.580 9.066 115 HB2 LEU 15 HB2 LEU 15 6.992 4.901 8.478 116 HB3 LEU 15 HB1 LEU 15 7.507 4.293 10.037 117 HG LEU 15 HG LEU 15 7.055 6.701 10.081 118 HD11 LEU 15 HD11 LEU 15 9.103 7.390 11.189 119 HD12 LEU 15 HD12 LEU 15 9.969 6.041 10.458 120 HD13 LEU 15 HD13 LEU 15 8.685 5.734 11.626 121 HD21 LEU 15 HD21 LEU 15 9.371 6.934 8.175 122 HD22 LEU 15 HD22 LEU 15 8.520 8.270 8.948 123 HD23 LEU 15 HD23 LEU 15 7.680 7.244 7.785 124 H PHE 16 HN PHE 16 7.567 2.650 7.204 125 HA PHE 16 HA PHE 16 7.683 0.452 9.008 126 HB2 PHE 16 HB2 PHE 16 6.535 0.821 6.265 127 HB3 PHE 16 HB1 PHE 16 6.569 -0.768 7.021 128 HD1 PHE 16 HD1 PHE 16 5.327 2.701 7.461 129 HD2 PHE 16 HD2 PHE 16 4.962 -1.383 8.600 130 HE1 PHE 16 HE1 PHE 16 3.249 3.227 8.669 131 HE2 PHE 16 HE2 PHE 16 2.881 -0.866 9.808 132 HZ PHE 16 HZ PHE 16 2.022 1.443 9.843 133 H SER 17 HN SER 17 9.385 1.209 5.998 134 HA SER 17 HA SER 17 10.695 -1.380 6.036 135 HB2 SER 17 HB2 SER 17 10.073 -0.134 3.910 136 HB3 SER 17 HB1 SER 17 11.377 0.991 4.287 137 HG SER 17 HG SER 17 11.783 -1.805 4.111 138 H SER 18 HN SER 18 11.216 1.809 7.211 139 HA SER 18 HA SER 18 12.609 2.583 8.801 140 HB2 SER 18 HB2 SER 18 13.776 -0.203 8.890 141 HB3 SER 18 HB1 SER 18 13.972 1.058 10.111 142 HG SER 18 HG SER 18 11.428 0.906 9.861 143 H CYS 19 HN CYS 19 14.675 0.277 7.011 144 HA CYS 19 HA CYS 19 16.201 2.467 5.888 145 HB2 CYS 19 HB2 CYS 19 17.178 2.148 8.163 146 HB3 CYS 19 HB1 CYS 19 17.546 0.481 7.740 147 HG CYS 19 HG CYS 19 19.183 1.399 5.512 148 H SER 20 HN SER 20 14.559 0.315 4.918 149 HA SER 20 HA SER 20 16.558 -1.230 3.410 150 HB2 SER 20 HB2 SER 20 13.733 -2.039 4.139 151 HB3 SER 20 HB1 SER 20 14.885 -3.012 3.223 152 HG SER 20 HG SER 20 16.258 -2.927 5.099 153 H ASP 21 HN ASP 21 15.953 -1.762 1.204 154 HA ASP 21 HA ASP 21 14.664 0.531 -0.053 155 HB2 ASP 21 HB2 ASP 21 16.901 -0.254 -0.825 156 HB3 ASP 21 HB1 ASP 21 16.160 -1.767 -1.333 157 H HIS 22 HN HIS 22 14.346 -2.968 0.155 158 HA HIS 22 HA HIS 22 11.751 -2.751 -1.226 159 HB2 HIS 22 HB2 HIS 22 13.537 -5.172 -0.897 160 HB3 HIS 22 HB1 HIS 22 11.964 -5.176 -1.686 161 HD1 HIS 22 HD1 HIS 22 15.034 -5.677 -2.836 162 HD2 HIS 22 HD2 HIS 22 12.414 -2.549 -3.609 163 HE1 HIS 22 HE1 HIS 22 15.752 -4.726 -5.047 164 HE2 HIS 22 HE2 HIS 22 14.289 -2.704 -5.377 165 H ILE 23 HN ILE 23 9.935 -3.718 -0.285 166 HA ILE 23 HA ILE 23 10.271 -4.223 2.583 167 HB ILE 23 HB ILE 23 8.783 -2.365 2.040 168 HG12 ILE 23 HG12 ILE 23 7.194 -4.682 3.137 169 HG13 ILE 23 HG11 ILE 23 8.441 -3.837 4.050 170 HG21 ILE 23 HG21 ILE 23 6.582 -2.774 0.990 171 HG22 ILE 23 HG22 ILE 23 7.080 -4.431 0.650 172 HG23 ILE 23 HG23 ILE 23 7.925 -3.086 -0.113 173 HD11 ILE 23 HD11 ILE 23 6.211 -3.056 4.623 174 HD12 ILE 23 HD12 ILE 23 5.934 -2.600 2.942 175 HD13 ILE 23 HD13 ILE 23 7.171 -1.773 3.889 176 H GLU 24 HN GLU 24 10.004 -6.143 3.381 177 HA GLU 24 HA GLU 24 9.334 -8.451 1.994 178 HB2 GLU 24 HB2 GLU 24 9.172 -7.733 4.916 179 HB3 GLU 24 HB1 GLU 24 8.857 -9.354 4.314 180 HG2 GLU 24 HG2 GLU 24 11.090 -9.227 5.122 181 HG3 GLU 24 HG1 GLU 24 11.112 -9.419 3.379 182 H MET 25 HN MET 25 7.457 -9.539 1.660 183 HA MET 25 HA MET 25 5.132 -7.979 1.410 184 HB2 MET 25 HB2 MET 25 5.527 -10.959 1.177 185 HB3 MET 25 HB1 MET 25 4.017 -10.138 0.801 186 HG2 MET 25 HG2 MET 25 5.163 -8.823 -0.915 187 HG3 MET 25 HG1 MET 25 6.668 -9.656 -0.546 188 HE1 MET 25 HE1 MET 25 2.973 -11.586 -2.514 189 HE2 MET 25 HE2 MET 25 3.149 -9.861 -2.190 190 HE3 MET 25 HE3 MET 25 2.961 -10.995 -0.853 191 H TYR 26 HN TYR 26 6.213 -10.132 3.983 192 HA TYR 26 HA TYR 26 3.670 -10.297 5.238 193 HB2 TYR 26 HB2 TYR 26 4.834 -11.193 7.137 194 HB3 TYR 26 HB1 TYR 26 5.538 -11.877 5.693 195 HD1 TYR 26 HD1 TYR 26 7.856 -11.747 5.329 196 HD2 TYR 26 HD2 TYR 26 6.081 -9.290 8.315 197 HE1 TYR 26 HE1 TYR 26 10.092 -11.114 6.133 198 HE2 TYR 26 HE2 TYR 26 8.309 -8.645 9.118 199 HH TYR 26 HH TYR 26 11.202 -9.441 7.386 200 H LYS 27 HN LYS 27 6.253 -7.976 5.260 201 HA LYS 27 HA LYS 27 5.281 -6.491 7.516 202 HB2 LYS 27 HB2 LYS 27 7.676 -6.818 6.908 203 HB3 LYS 27 HB1 LYS 27 7.395 -5.891 5.446 204 HG2 LYS 27 HG2 LYS 27 8.392 -4.445 6.972 205 HG3 LYS 27 HG1 LYS 27 6.689 -4.010 6.900 206 HD2 LYS 27 HD2 LYS 27 6.238 -4.963 8.997 207 HD3 LYS 27 HD1 LYS 27 7.748 -5.878 8.997 208 HE2 LYS 27 HE2 LYS 27 7.580 -2.870 9.109 209 HE3 LYS 27 HE1 LYS 27 7.747 -3.909 10.524 210 HZ1 LYS 27 HZ1 LYS 27 9.675 -3.823 8.266 211 HZ2 LYS 27 HZ2 LYS 27 9.844 -4.697 9.704 212 HZ3 LYS 27 HZ3 LYS 27 9.875 -3.006 9.732 213 H PHE 28 HN PHE 28 5.043 -6.574 4.106 214 HA PHE 28 HA PHE 28 4.377 -3.983 3.421 215 HB2 PHE 28 HB2 PHE 28 4.811 -5.655 1.743 216 HB3 PHE 28 HB1 PHE 28 3.426 -6.605 2.267 217 HD1 PHE 28 HD1 PHE 28 1.227 -6.107 1.506 218 HD2 PHE 28 HD2 PHE 28 4.474 -3.513 0.593 219 HE1 PHE 28 HE1 PHE 28 -0.180 -4.938 -0.114 220 HE2 PHE 28 HE2 PHE 28 3.079 -2.327 -1.034 221 HZ PHE 28 HZ PHE 28 0.722 -3.040 -1.394 222 H PHE 29 HN PHE 29 2.263 -6.563 4.626 223 HA PHE 29 HA PHE 29 -0.134 -5.271 3.952 224 HB2 PHE 29 HB2 PHE 29 0.280 -7.744 4.598 225 HB3 PHE 29 HB1 PHE 29 0.017 -7.190 6.248 226 HD1 PHE 29 HD1 PHE 29 -2.147 -6.624 7.030 227 HD2 PHE 29 HD2 PHE 29 -1.540 -7.556 2.909 228 HE1 PHE 29 HE1 PHE 29 -4.579 -6.756 6.702 229 HE2 PHE 29 HE2 PHE 29 -3.971 -7.690 2.585 230 HZ PHE 29 HZ PHE 29 -5.492 -7.288 4.481 231 H GLU 30 HN GLU 30 1.745 -5.171 6.983 232 HA GLU 30 HA GLU 30 -0.212 -3.677 8.392 233 HB2 GLU 30 HB2 GLU 30 1.611 -3.111 9.973 234 HB3 GLU 30 HB1 GLU 30 1.440 -4.831 9.672 235 HG2 GLU 30 HG2 GLU 30 3.353 -4.776 8.179 236 HG3 GLU 30 HG1 GLU 30 3.511 -3.039 8.436 237 H LEU 31 HN LEU 31 2.371 -2.830 6.243 238 HA LEU 31 HA LEU 31 2.447 -0.061 6.671 239 HB2 LEU 31 HB2 LEU 31 4.222 -0.998 5.456 240 HB3 LEU 31 HB1 LEU 31 3.143 -1.843 4.366 241 HG LEU 31 HG LEU 31 2.476 0.452 3.477 242 HD11 LEU 31 HD11 LEU 31 4.988 1.244 4.934 243 HD12 LEU 31 HD12 LEU 31 3.353 1.794 5.303 244 HD13 LEU 31 HD13 LEU 31 4.109 2.236 3.771 245 HD21 LEU 31 HD21 LEU 31 3.894 -1.121 2.262 246 HD22 LEU 31 HD22 LEU 31 5.314 -0.480 3.088 247 HD23 LEU 31 HD23 LEU 31 4.394 0.547 1.990 248 H MET 32 HN MET 32 0.304 -2.050 4.761 249 HA MET 32 HA MET 32 -0.780 0.356 3.507 250 HB2 MET 32 HB2 MET 32 -1.863 -1.336 1.923 251 HB3 MET 32 HB1 MET 32 -0.123 -1.110 1.828 252 HG2 MET 32 HG2 MET 32 -0.271 -3.382 1.751 253 HG3 MET 32 HG1 MET 32 -0.054 -3.122 3.479 254 HE1 MET 32 HE1 MET 32 -3.871 -4.418 1.320 255 HE2 MET 32 HE2 MET 32 -2.254 -4.247 0.623 256 HE3 MET 32 HE3 MET 32 -3.188 -2.813 1.057 257 H ASN 33 HN ASN 33 -1.817 -2.321 5.537 258 HA ASN 33 HA ASN 33 -4.591 -1.809 5.193 259 HB2 ASN 33 HB2 ASN 33 -5.012 -3.401 6.814 260 HB3 ASN 33 HB1 ASN 33 -3.424 -3.904 6.257 261 HD21 ASN 33 HD21 ASN 33 -1.670 -3.654 7.592 262 HD22 ASN 33 HD22 ASN 33 -1.823 -3.304 9.283 263 H SER 34 HN SER 34 -2.109 -0.266 6.955 264 HA SER 34 HA SER 34 -3.581 0.818 9.104 265 HB2 SER 34 HB2 SER 34 -1.682 2.527 9.111 266 HB3 SER 34 HB1 SER 34 -1.207 0.834 9.257 267 HG SER 34 HG SER 34 0.029 1.300 7.617 268 H PHE 35 HN PHE 35 -3.131 1.828 5.786 269 HA PHE 35 HA PHE 35 -4.445 4.377 6.184 270 HB2 PHE 35 HB2 PHE 35 -3.459 2.955 3.710 271 HB3 PHE 35 HB1 PHE 35 -4.247 4.528 3.676 272 HD1 PHE 35 HD1 PHE 35 -3.129 6.495 4.533 273 HD2 PHE 35 HD2 PHE 35 -1.218 2.694 4.545 274 HE1 PHE 35 HE1 PHE 35 -0.960 7.592 4.905 275 HE2 PHE 35 HE2 PHE 35 0.955 3.783 4.920 276 HZ PHE 35 HZ PHE 35 1.084 6.236 5.098 277 H GLY 36 HN GLY 36 -5.546 1.305 6.065 278 HA2 GLY 36 HA2 GLY 36 -7.790 0.647 6.020 279 HA3 GLY 36 HA1 GLY 36 -8.201 2.170 5.245 280 H ILE 37 HN ILE 37 -5.540 0.633 3.837 281 HA ILE 37 HA ILE 37 -7.029 0.083 1.436 282 HB ILE 37 HB ILE 37 -4.114 -0.422 2.073 283 HG12 ILE 37 HG12 ILE 37 -5.406 1.839 0.531 284 HG13 ILE 37 HG11 ILE 37 -4.806 1.963 2.182 285 HG21 ILE 37 HG21 ILE 37 -3.808 -0.586 -0.344 286 HG22 ILE 37 HG22 ILE 37 -5.544 -0.394 -0.582 287 HG23 ILE 37 HG23 ILE 37 -4.919 -1.823 0.242 288 HD11 ILE 37 HD11 ILE 37 -2.553 1.514 1.413 289 HD12 ILE 37 HD12 ILE 37 -3.242 2.895 0.561 290 HD13 ILE 37 HD13 ILE 37 -3.137 1.327 -0.239 291 H ILE 38 HN ILE 38 -7.746 -1.827 0.740 292 HA ILE 38 HA ILE 38 -7.035 -4.219 2.297 293 HB ILE 38 HB ILE 38 -9.206 -5.172 1.435 294 HG12 ILE 38 HG12 ILE 38 -9.802 -2.264 0.870 295 HG13 ILE 38 HG11 ILE 38 -9.525 -3.487 -0.364 296 HG21 ILE 38 HG21 ILE 38 -10.539 -4.064 3.172 297 HG22 ILE 38 HG22 ILE 38 -9.305 -2.810 3.297 298 HG23 ILE 38 HG23 ILE 38 -8.914 -4.476 3.725 299 HD11 ILE 38 HD11 ILE 38 -11.774 -3.465 1.632 300 HD12 ILE 38 HD12 ILE 38 -11.491 -4.708 0.414 301 HD13 ILE 38 HD13 ILE 38 -11.887 -3.064 -0.081 302 H LEU 39 HN LEU 39 -6.762 -6.171 1.189 303 HA LEU 39 HA LEU 39 -6.298 -5.876 -1.696 304 HB2 LEU 39 HB2 LEU 39 -4.603 -6.954 0.453 305 HB3 LEU 39 HB1 LEU 39 -4.649 -7.890 -1.015 306 HG LEU 39 HG LEU 39 -3.940 -4.966 -0.912 307 HD11 LEU 39 HD11 LEU 39 -2.066 -7.297 -1.258 308 HD12 LEU 39 HD12 LEU 39 -2.306 -6.459 0.273 309 HD13 LEU 39 HD13 LEU 39 -1.651 -5.593 -1.117 310 HD21 LEU 39 HD21 LEU 39 -3.184 -5.282 -3.160 311 HD22 LEU 39 HD22 LEU 39 -4.859 -5.816 -3.044 312 HD23 LEU 39 HD23 LEU 39 -3.553 -7.003 -3.085 313 H THR 40 HN THR 40 -6.923 -7.512 -2.995 314 HA THR 40 HA THR 40 -8.652 -9.533 -1.814 315 HB THR 40 HB THR 40 -9.071 -10.154 -4.253 316 HG1 THR 40 HG1 THR 40 -8.040 -7.570 -4.819 317 HG21 THR 40 HG21 THR 40 -10.618 -8.279 -4.586 318 HG22 THR 40 HG22 THR 40 -9.806 -7.391 -3.296 319 HG23 THR 40 HG23 THR 40 -10.662 -8.891 -2.933 320 H ASN 41 HN ASN 41 -8.483 -11.779 -2.801 321 HA ASN 41 HA ASN 41 -5.998 -12.867 -2.080 322 HB2 ASN 41 HB2 ASN 41 -8.219 -14.059 -3.751 323 HB3 ASN 41 HB1 ASN 41 -6.815 -14.966 -3.205 324 HD21 ASN 41 HD21 ASN 41 -9.860 -13.638 -2.343 325 HD22 ASN 41 HD22 ASN 41 -9.907 -14.241 -0.724 326 H ASP 42 HN ASP 42 -7.385 -12.222 -5.263 327 HA ASP 42 HA ASP 42 -5.267 -13.253 -6.794 328 HB2 ASP 42 HB2 ASP 42 -7.448 -12.832 -7.778 329 HB3 ASP 42 HB1 ASP 42 -7.285 -11.105 -7.472 330 H GLU 43 HN GLU 43 -5.921 -9.953 -5.658 331 HA GLU 43 HA GLU 43 -3.811 -8.721 -7.036 332 HB2 GLU 43 HB2 GLU 43 -5.310 -7.934 -4.551 333 HB3 GLU 43 HB1 GLU 43 -4.040 -6.931 -5.238 334 HG2 GLU 43 HG2 GLU 43 -5.294 -6.780 -7.330 335 HG3 GLU 43 HG1 GLU 43 -6.572 -7.772 -6.627 336 H LYS 44 HN LYS 44 -3.941 -9.974 -3.704 337 HA LYS 44 HA LYS 44 -1.390 -9.203 -2.904 338 HB2 LYS 44 HB2 LYS 44 -2.911 -11.684 -2.091 339 HB3 LYS 44 HB1 LYS 44 -1.507 -11.038 -1.254 340 HG2 LYS 44 HG2 LYS 44 -2.830 -8.914 -0.933 341 HG3 LYS 44 HG1 LYS 44 -4.233 -9.821 -1.508 342 HD2 LYS 44 HD2 LYS 44 -4.245 -9.862 0.881 343 HD3 LYS 44 HD1 LYS 44 -3.772 -11.471 0.327 344 HE2 LYS 44 HE2 LYS 44 -2.411 -10.522 2.233 345 HE3 LYS 44 HE1 LYS 44 -1.490 -11.077 0.834 346 HZ1 LYS 44 HZ1 LYS 44 -1.265 -8.812 0.084 347 HZ2 LYS 44 HZ2 LYS 44 -0.729 -8.918 1.682 348 HZ3 LYS 44 HZ3 LYS 44 -2.242 -8.246 1.344 349 H ALA 45 HN ALA 45 -2.427 -12.139 -4.578 350 HA ALA 45 HA ALA 45 0.185 -13.294 -4.648 351 HB1 ALA 45 HB1 ALA 45 -2.237 -13.930 -6.333 352 HB2 ALA 45 HB2 ALA 45 -1.853 -14.654 -4.770 353 HB3 ALA 45 HB3 ALA 45 -0.797 -14.932 -6.154 354 H ALA 46 HN ALA 46 -1.384 -10.856 -6.420 355 HA ALA 46 HA ALA 46 0.182 -11.259 -8.843 356 HB1 ALA 46 HB1 ALA 46 -1.093 -9.410 -9.760 357 HB2 ALA 46 HB2 ALA 46 -1.804 -9.091 -8.179 358 HB3 ALA 46 HB3 ALA 46 -2.173 -10.593 -9.024 359 H LEU 47 HN LEU 47 0.621 -9.744 -5.889 360 HA LEU 47 HA LEU 47 2.076 -7.447 -6.817 361 HB2 LEU 47 HB2 LEU 47 2.324 -8.726 -4.098 362 HB3 LEU 47 HB1 LEU 47 2.704 -7.078 -4.538 363 HG LEU 47 HG LEU 47 0.008 -8.325 -4.112 364 HD11 LEU 47 HD11 LEU 47 1.197 -7.401 -2.187 365 HD12 LEU 47 HD12 LEU 47 -0.255 -6.477 -2.563 366 HD13 LEU 47 HD13 LEU 47 1.333 -5.849 -3.017 367 HD21 LEU 47 HD21 LEU 47 0.479 -5.608 -5.323 368 HD22 LEU 47 HD22 LEU 47 -1.071 -6.378 -4.971 369 HD23 LEU 47 HD23 LEU 47 -0.029 -7.028 -6.236 370 HA PRO 48 HA PRO 48 6.025 -9.402 -7.617 371 HB2 PRO 48 HB2 PRO 48 7.162 -6.937 -6.418 372 HB3 PRO 48 HB1 PRO 48 7.458 -7.652 -8.005 373 HG2 PRO 48 HG2 PRO 48 5.985 -5.439 -7.740 374 HG3 PRO 48 HG1 PRO 48 5.583 -6.679 -8.944 375 HD2 PRO 48 HD2 PRO 48 4.305 -6.109 -6.304 376 HD3 PRO 48 HD1 PRO 48 3.560 -6.606 -7.837 377 H ASN 49 HN ASN 49 7.403 -10.622 -6.410 378 HA ASN 49 HA ASN 49 6.833 -11.029 -3.674 379 HB2 ASN 49 HB2 ASN 49 9.073 -12.011 -5.442 380 HB3 ASN 49 HB1 ASN 49 8.952 -12.460 -3.745 381 HD21 ASN 49 HD21 ASN 49 7.631 -12.865 -6.917 382 HD22 ASN 49 HD22 ASN 49 6.564 -14.168 -6.528 383 H ASP 50 HN ASP 50 9.174 -9.077 -5.345 384 HA ASP 50 HA ASP 50 10.032 -8.028 -2.727 385 HB2 ASP 50 HB2 ASP 50 11.428 -7.782 -5.410 386 HB3 ASP 50 HB1 ASP 50 12.000 -7.098 -3.894 387 H ILE 51 HN ILE 51 9.022 -6.185 -2.228 388 HA ILE 51 HA ILE 51 7.857 -4.620 -4.423 389 HB ILE 51 HB ILE 51 7.094 -4.652 -1.498 390 HG12 ILE 51 HG12 ILE 51 5.684 -5.780 -3.927 391 HG13 ILE 51 HG11 ILE 51 6.535 -6.729 -2.715 392 HG21 ILE 51 HG21 ILE 51 6.676 -2.479 -2.512 393 HG22 ILE 51 HG22 ILE 51 5.156 -3.320 -2.206 394 HG23 ILE 51 HG23 ILE 51 5.812 -3.250 -3.842 395 HD11 ILE 51 HD11 ILE 51 4.083 -5.053 -2.246 396 HD12 ILE 51 HD12 ILE 51 4.932 -6.001 -1.026 397 HD13 ILE 51 HD13 ILE 51 4.138 -6.810 -2.378 398 H ASN 52 HN ASN 52 8.547 -2.624 -4.832 399 HA ASN 52 HA ASN 52 10.427 -1.391 -2.932 400 HB2 ASN 52 HB2 ASN 52 11.350 -1.919 -5.176 401 HB3 ASN 52 HB1 ASN 52 10.116 -0.907 -5.906 402 HD21 ASN 52 HD21 ASN 52 11.536 0.487 -6.848 403 HD22 ASN 52 HD22 ASN 52 12.497 1.603 -5.937 404 H MET 53 HN MET 53 10.405 1.113 -3.115 405 HA MET 53 HA MET 53 7.960 2.168 -2.314 406 HB2 MET 53 HB2 MET 53 10.134 3.248 -1.914 407 HB3 MET 53 HB1 MET 53 10.275 3.594 -3.634 408 HG2 MET 53 HG2 MET 53 9.489 5.592 -2.878 409 HG3 MET 53 HG1 MET 53 7.983 4.765 -3.269 410 HE1 MET 53 HE1 MET 53 10.410 4.293 -0.168 411 HE2 MET 53 HE2 MET 53 9.641 5.391 0.981 412 HE3 MET 53 HE3 MET 53 10.371 6.025 -0.494 413 H ASP 54 HN ASP 54 9.413 1.934 -5.495 414 HA ASP 54 HA ASP 54 7.769 3.657 -6.920 415 HB2 ASP 54 HB2 ASP 54 9.826 2.641 -7.823 416 HB3 ASP 54 HB1 ASP 54 9.009 1.083 -7.900 417 H TYR 55 HN TYR 55 7.360 0.137 -6.400 418 HA TYR 55 HA TYR 55 4.855 0.092 -7.753 419 HB2 TYR 55 HB2 TYR 55 6.230 -1.970 -7.458 420 HB3 TYR 55 HB1 TYR 55 5.858 -1.934 -5.735 421 HD1 TYR 55 HD1 TYR 55 4.177 -1.979 -9.058 422 HD2 TYR 55 HD2 TYR 55 3.965 -3.084 -4.948 423 HE1 TYR 55 HE1 TYR 55 2.079 -3.182 -9.488 424 HE2 TYR 55 HE2 TYR 55 1.880 -4.281 -5.376 425 HH TYR 55 HH TYR 55 0.772 -5.037 -8.473 426 H TRP 56 HN TRP 56 5.836 0.589 -4.427 427 HA TRP 56 HA TRP 56 3.421 0.172 -3.138 428 HB2 TRP 56 HB2 TRP 56 5.464 0.450 -1.905 429 HB3 TRP 56 HB1 TRP 56 5.683 2.075 -2.532 430 HD1 TRP 56 HD1 TRP 56 5.537 3.519 -0.427 431 HE1 TRP 56 HE1 TRP 56 3.797 3.878 1.430 432 HE3 TRP 56 HE3 TRP 56 2.292 -0.224 -1.644 433 HZ2 TRP 56 HZ2 TRP 56 1.351 2.736 2.255 434 HZ3 TRP 56 HZ3 TRP 56 0.264 -0.519 -0.277 435 HH2 TRP 56 HH2 TRP 56 -0.193 0.933 1.630 436 H LEU 57 HN LEU 57 4.707 3.201 -4.483 437 HA LEU 57 HA LEU 57 2.494 4.810 -3.806 438 HB2 LEU 57 HB2 LEU 57 4.298 5.171 -6.196 439 HB3 LEU 57 HB1 LEU 57 3.371 6.412 -5.374 440 HG LEU 57 HG LEU 57 5.687 4.897 -4.181 441 HD11 LEU 57 HD11 LEU 57 5.519 7.718 -5.228 442 HD12 LEU 57 HD12 LEU 57 6.412 6.385 -5.958 443 HD13 LEU 57 HD13 LEU 57 6.900 7.016 -4.386 444 HD21 LEU 57 HD21 LEU 57 5.550 6.539 -2.374 445 HD22 LEU 57 HD22 LEU 57 4.053 5.616 -2.506 446 HD23 LEU 57 HD23 LEU 57 4.131 7.265 -3.131 447 H ASN 58 HN ASN 58 3.302 3.059 -6.735 448 HA ASN 58 HA ASN 58 1.101 3.835 -8.310 449 HB2 ASN 58 HB2 ASN 58 3.264 2.786 -9.107 450 HB3 ASN 58 HB1 ASN 58 2.660 1.248 -8.512 451 HD21 ASN 58 HD21 ASN 58 3.390 2.142 -11.204 452 HD22 ASN 58 HD22 ASN 58 2.002 1.852 -12.192 453 H PHE 59 HN PHE 59 1.695 1.083 -6.212 454 HA PHE 59 HA PHE 59 -0.671 -0.350 -6.648 455 HB2 PHE 59 HB2 PHE 59 1.160 -1.381 -5.515 456 HB3 PHE 59 HB1 PHE 59 1.206 -0.122 -4.294 457 HD1 PHE 59 HD1 PHE 59 -0.611 -0.022 -2.577 458 HD2 PHE 59 HD2 PHE 59 -0.179 -3.283 -5.273 459 HE1 PHE 59 HE1 PHE 59 -1.972 -1.425 -1.088 460 HE2 PHE 59 HE2 PHE 59 -1.542 -4.686 -3.796 461 HZ PHE 59 HZ PHE 59 -2.445 -3.759 -1.699 462 H ALA 60 HN ALA 60 0.154 2.169 -4.308 463 HA ALA 60 HA ALA 60 -2.318 2.006 -2.906 464 HB1 ALA 60 HB1 ALA 60 -1.603 4.054 -1.799 465 HB2 ALA 60 HB2 ALA 60 -0.322 4.263 -2.994 466 HB3 ALA 60 HB3 ALA 60 -0.280 2.891 -1.887 467 H LYS 61 HN LYS 61 -1.088 4.150 -5.435 468 HA LYS 61 HA LYS 61 -3.368 5.823 -5.494 469 HB2 LYS 61 HB2 LYS 61 -2.410 6.827 -7.434 470 HB3 LYS 61 HB1 LYS 61 -1.166 6.558 -6.222 471 HG2 LYS 61 HG2 LYS 61 -0.030 5.714 -7.907 472 HG3 LYS 61 HG1 LYS 61 -1.002 4.276 -7.644 473 HD2 LYS 61 HD2 LYS 61 -1.338 4.587 -9.892 474 HD3 LYS 61 HD1 LYS 61 -2.691 5.493 -9.205 475 HE2 LYS 61 HE2 LYS 61 -0.058 6.702 -10.052 476 HE3 LYS 61 HE1 LYS 61 -1.518 6.699 -11.034 477 HZ1 LYS 61 HZ1 LYS 61 -1.137 8.051 -8.418 478 HZ2 LYS 61 HZ2 LYS 61 -2.620 7.943 -9.223 479 HZ3 LYS 61 HZ3 LYS 61 -1.339 8.784 -9.927 480 H LYS 62 HN LYS 62 -2.615 2.802 -6.889 481 HA LYS 62 HA LYS 62 -4.552 2.834 -8.977 482 HB2 LYS 62 HB2 LYS 62 -2.665 1.354 -9.137 483 HB3 LYS 62 HB1 LYS 62 -3.046 0.618 -7.590 484 HG2 LYS 62 HG2 LYS 62 -5.044 -0.387 -8.536 485 HG3 LYS 62 HG1 LYS 62 -4.715 0.391 -10.084 486 HD2 LYS 62 HD2 LYS 62 -3.993 -1.950 -10.086 487 HD3 LYS 62 HD1 LYS 62 -2.628 -0.852 -10.283 488 HE2 LYS 62 HE2 LYS 62 -2.091 -1.097 -7.907 489 HE3 LYS 62 HE1 LYS 62 -3.461 -2.185 -7.706 490 HZ1 LYS 62 HZ1 LYS 62 -2.413 -3.735 -9.226 491 HZ2 LYS 62 HZ2 LYS 62 -1.369 -3.390 -7.943 492 HZ3 LYS 62 HZ3 LYS 62 -1.112 -2.681 -9.457 493 H HIS 63 HN HIS 63 -4.568 1.904 -5.605 494 HA HIS 63 HA HIS 63 -7.034 0.489 -5.701 495 HB2 HIS 63 HB2 HIS 63 -5.323 1.545 -3.485 496 HB3 HIS 63 HB1 HIS 63 -6.957 0.981 -3.133 497 HD1 HIS 63 HD1 HIS 63 -6.940 -1.371 -2.375 498 HD2 HIS 63 HD2 HIS 63 -3.980 -0.623 -5.189 499 HE1 HIS 63 HE1 HIS 63 -5.760 -3.562 -2.704 500 HE2 HIS 63 HE2 HIS 63 -4.134 -3.132 -4.579 501 H TYR 64 HN TYR 64 -6.197 3.851 -5.306 502 HA TYR 64 HA TYR 64 -9.083 4.379 -5.111 503 HB2 TYR 64 HB2 TYR 64 -8.528 6.600 -4.128 504 HB3 TYR 64 HB1 TYR 64 -8.102 5.236 -3.113 505 HD1 TYR 64 HD1 TYR 64 -6.656 7.734 -5.468 506 HD2 TYR 64 HD2 TYR 64 -5.943 5.022 -2.272 507 HE1 TYR 64 HE1 TYR 64 -4.396 8.657 -5.198 508 HE2 TYR 64 HE2 TYR 64 -3.686 5.933 -1.997 509 HH TYR 64 HH TYR 64 -1.999 7.143 -3.374 510 H ASN 65 HN ASN 65 -7.708 3.829 -7.505 511 HA ASN 65 HA ASN 65 -7.607 6.389 -8.889 512 HB2 ASN 65 HB2 ASN 65 -5.984 4.553 -9.438 513 HB3 ASN 65 HB1 ASN 65 -7.333 3.602 -10.047 514 HD21 ASN 65 HD21 ASN 65 -8.212 4.089 -12.021 515 HD22 ASN 65 HD22 ASN 65 -7.510 5.232 -13.112 516 H TYR 66 HN TYR 66 -9.868 6.723 -8.177 517 HA TYR 66 HA TYR 66 -11.771 5.423 -10.010 518 HB2 TYR 66 HB2 TYR 66 -13.508 5.742 -8.305 519 HB3 TYR 66 HB1 TYR 66 -12.182 4.778 -7.673 520 HD1 TYR 66 HD1 TYR 66 -10.387 6.083 -6.277 521 HD2 TYR 66 HD2 TYR 66 -14.295 7.547 -7.089 522 HE1 TYR 66 HE1 TYR 66 -10.212 7.615 -4.362 523 HE2 TYR 66 HE2 TYR 66 -14.123 9.086 -5.178 524 HH TYR 66 HH TYR 66 -11.195 9.763 -3.636 525 H GLU 67 HN GLU 67 -13.576 6.783 -10.706 526 HA GLU 67 HA GLU 67 -12.549 9.406 -11.420 527 HB2 GLU 67 HB2 GLU 67 -15.041 7.954 -12.284 528 HB3 GLU 67 HB1 GLU 67 -14.462 9.466 -12.973 529 HG2 GLU 67 HG2 GLU 67 -13.111 6.779 -13.096 530 HG3 GLU 67 HG1 GLU 67 -13.863 7.658 -14.426 531 H GLN 68 HN GLN 68 -14.154 8.291 -8.902 532 HA GLN 68 HA GLN 68 -15.106 9.309 -7.112 533 HB2 GLN 68 HB2 GLN 68 -13.697 11.316 -8.061 534 HB3 GLN 68 HB1 GLN 68 -15.270 11.946 -8.517 535 HG2 GLN 68 HG2 GLN 68 -14.514 11.150 -5.713 536 HG3 GLN 68 HG1 GLN 68 -14.400 12.787 -6.346 537 HE21 GLN 68 HE21 GLN 68 -16.529 10.281 -5.243 538 HE22 GLN 68 HE22 GLN 68 -17.960 11.243 -5.175 539 HA PRO 69 HA PRO 69 -19.234 9.243 -9.087 540 HB2 PRO 69 HB2 PRO 69 -19.962 6.739 -8.532 541 HB3 PRO 69 HB1 PRO 69 -18.889 7.080 -9.895 542 HG2 PRO 69 HG2 PRO 69 -18.248 5.961 -7.212 543 HG3 PRO 69 HG1 PRO 69 -17.517 5.601 -8.785 544 HD2 PRO 69 HD2 PRO 69 -16.503 7.351 -6.819 545 HD3 PRO 69 HD1 PRO 69 -15.938 7.202 -8.494 546 H PHE 70 HN PHE 70 -21.302 9.072 -7.964 547 HA PHE 70 HA PHE 70 -21.057 9.659 -5.140 548 HB2 PHE 70 HB2 PHE 70 -23.425 9.640 -7.021 549 HB3 PHE 70 HB1 PHE 70 -23.555 10.005 -5.304 550 HD1 PHE 70 HD1 PHE 70 -22.103 11.151 -8.499 551 HD2 PHE 70 HD2 PHE 70 -22.969 12.117 -4.448 552 HE1 PHE 70 HE1 PHE 70 -21.558 13.510 -8.947 553 HE2 PHE 70 HE2 PHE 70 -22.428 14.476 -4.886 554 HZ PHE 70 HZ PHE 70 -21.722 15.174 -7.139 555 H LYS 71 HN LYS 71 -20.183 7.209 -5.433 556 HA LYS 71 HA LYS 71 -22.248 5.210 -5.247 557 HB2 LYS 71 HB2 LYS 71 -20.011 4.849 -6.339 558 HB3 LYS 71 HB1 LYS 71 -19.279 4.932 -4.743 559 HG2 LYS 71 HG2 LYS 71 -19.521 2.637 -5.394 560 HG3 LYS 71 HG1 LYS 71 -20.624 2.978 -4.062 561 HD2 LYS 71 HD2 LYS 71 -22.487 3.136 -5.584 562 HD3 LYS 71 HD1 LYS 71 -21.415 2.967 -6.973 563 HE2 LYS 71 HE2 LYS 71 -21.794 0.877 -4.836 564 HE3 LYS 71 HE1 LYS 71 -22.630 0.883 -6.385 565 HZ1 LYS 71 HZ1 LYS 71 -20.513 0.699 -7.507 566 HZ2 LYS 71 HZ2 LYS 71 -20.688 -0.564 -6.396 567 HZ3 LYS 71 HZ3 LYS 71 -19.684 0.745 -6.031 568 H HIS 72 HN HIS 72 -23.255 6.340 -3.390 569 HA HIS 72 HA HIS 72 -21.861 5.921 -0.846 570 HB2 HIS 72 HB2 HIS 72 -24.464 7.353 -1.427 571 HB3 HIS 72 HB1 HIS 72 -23.676 7.264 0.143 572 HD1 HIS 72 HD1 HIS 72 -24.144 9.582 -2.403 573 HD2 HIS 72 HD2 HIS 72 -20.783 8.325 -0.306 574 HE1 HIS 72 HE1 HIS 72 -22.450 11.423 -2.667 575 HE2 HIS 72 HE2 HIS 72 -20.380 10.577 -1.509 576 H ILE 73 HN ILE 73 -23.907 4.323 -2.880 577 HA ILE 73 HA ILE 73 -25.650 3.124 -0.933 578 HB ILE 73 HB ILE 73 -26.147 3.507 -3.429 579 HG12 ILE 73 HG12 ILE 73 -27.527 1.423 -3.559 580 HG13 ILE 73 HG11 ILE 73 -26.699 0.845 -2.115 581 HG21 ILE 73 HG21 ILE 73 -24.579 0.945 -3.658 582 HG22 ILE 73 HG22 ILE 73 -24.135 2.507 -4.343 583 HG23 ILE 73 HG23 ILE 73 -25.567 1.662 -4.930 584 HD11 ILE 73 HD11 ILE 73 -27.575 2.701 -0.837 585 HD12 ILE 73 HD12 ILE 73 -28.885 1.820 -1.618 586 HD13 ILE 73 HD13 ILE 73 -28.340 3.359 -2.282 587 H ASN 74 HN ASN 74 -22.470 2.711 -1.804 588 HA ASN 74 HA ASN 74 -22.153 0.429 -0.123 589 HB2 ASN 74 HB2 ASN 74 -22.801 -0.620 -2.330 590 HB3 ASN 74 HB1 ASN 74 -21.352 0.094 -3.025 591 HD21 ASN 74 HD21 ASN 74 -22.088 -2.698 -2.782 592 HD22 ASN 74 HD22 ASN 74 -20.831 -3.457 -1.866 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -5.321 17.029 -2.682 2 H2 MET 1 HT2 MET 1 -4.338 15.952 -1.829 3 H3 MET 1 HT3 MET 1 -5.488 15.362 -2.916 4 HA MET 1 HA MET 1 -4.318 16.347 -4.759 5 HB2 MET 1 HB2 MET 1 -3.361 18.241 -3.461 6 HB3 MET 1 HB1 MET 1 -2.262 17.118 -2.675 7 HG2 MET 1 HG2 MET 1 -0.859 17.814 -4.280 8 HG3 MET 1 HG1 MET 1 -1.676 16.574 -5.224 9 HE1 MET 1 HE1 MET 1 -4.583 18.114 -5.708 10 HE2 MET 1 HE2 MET 1 -3.725 17.123 -6.889 11 HE3 MET 1 HE3 MET 1 -4.233 18.758 -7.313 12 H ALA 2 HN ALA 2 -3.706 14.583 -5.782 13 HA ALA 2 HA ALA 2 -3.025 12.193 -4.508 14 HB1 ALA 2 HB1 ALA 2 -2.550 12.933 -7.388 15 HB2 ALA 2 HB2 ALA 2 -4.070 12.337 -6.723 16 HB3 ALA 2 HB3 ALA 2 -2.641 11.303 -6.723 17 H SER 3 HN SER 3 -0.967 14.672 -5.933 18 HA SER 3 HA SER 3 1.444 13.206 -5.825 19 HB2 SER 3 HB2 SER 3 1.085 15.319 -7.138 20 HB3 SER 3 HB1 SER 3 1.125 16.211 -5.619 21 HG SER 3 HG SER 3 3.269 14.982 -5.397 22 H ASP 4 HN ASP 4 -0.170 15.350 -3.533 23 HA ASP 4 HA ASP 4 1.846 15.311 -1.546 24 HB2 ASP 4 HB2 ASP 4 0.188 17.044 -1.458 25 HB3 ASP 4 HB1 ASP 4 -1.121 15.868 -1.418 26 H MET 5 HN MET 5 -0.913 13.288 -2.263 27 HA MET 5 HA MET 5 -0.844 11.656 0.031 28 HB2 MET 5 HB2 MET 5 -2.688 11.807 -1.679 29 HB3 MET 5 HB1 MET 5 -1.683 10.845 -2.753 30 HG2 MET 5 HG2 MET 5 -3.289 9.429 -1.698 31 HG3 MET 5 HG1 MET 5 -1.684 9.039 -1.080 32 HE1 MET 5 HE1 MET 5 -4.241 8.440 1.890 33 HE2 MET 5 HE2 MET 5 -2.979 7.685 0.916 34 HE3 MET 5 HE3 MET 5 -4.490 8.194 0.159 35 H GLU 6 HN GLU 6 0.718 11.404 -3.130 36 HA GLU 6 HA GLU 6 2.069 8.981 -2.744 37 HB2 GLU 6 HB2 GLU 6 1.952 9.866 -4.931 38 HB3 GLU 6 HB1 GLU 6 2.642 11.404 -4.439 39 HG2 GLU 6 HG2 GLU 6 4.800 10.333 -4.104 40 HG3 GLU 6 HG1 GLU 6 4.104 8.777 -4.548 41 H GLU 7 HN GLU 7 2.972 12.303 -1.936 42 HA GLU 7 HA GLU 7 5.527 11.839 -0.909 43 HB2 GLU 7 HB2 GLU 7 3.441 13.777 0.111 44 HB3 GLU 7 HB1 GLU 7 5.163 13.854 0.450 45 HG2 GLU 7 HG2 GLU 7 3.951 14.080 -2.290 46 HG3 GLU 7 HG1 GLU 7 4.407 15.444 -1.271 47 H LYS 8 HN LYS 8 2.380 11.788 0.703 48 HA LYS 8 HA LYS 8 3.278 11.103 3.265 49 HB2 LYS 8 HB2 LYS 8 0.621 10.509 1.953 50 HB3 LYS 8 HB1 LYS 8 0.948 10.387 3.668 51 HG2 LYS 8 HG2 LYS 8 1.084 12.886 2.047 52 HG3 LYS 8 HG1 LYS 8 -0.202 12.433 3.160 53 HD2 LYS 8 HD2 LYS 8 1.408 12.421 5.001 54 HD3 LYS 8 HD1 LYS 8 2.685 12.906 3.885 55 HE2 LYS 8 HE2 LYS 8 1.466 14.976 3.405 56 HE3 LYS 8 HE1 LYS 8 0.205 14.492 4.537 57 HZ1 LYS 8 HZ1 LYS 8 1.744 16.027 5.564 58 HZ2 LYS 8 HZ2 LYS 8 3.049 15.009 5.226 59 HZ3 LYS 8 HZ3 LYS 8 1.852 14.517 6.314 60 H PHE 9 HN PHE 9 2.261 9.048 0.550 61 HA PHE 9 HA PHE 9 2.433 6.584 1.869 62 HB2 PHE 9 HB2 PHE 9 2.843 7.322 -1.026 63 HB3 PHE 9 HB1 PHE 9 2.941 5.660 -0.458 64 HD1 PHE 9 HD1 PHE 9 0.959 7.362 -2.367 65 HD2 PHE 9 HD2 PHE 9 0.729 5.594 1.499 66 HE1 PHE 9 HE1 PHE 9 -1.476 7.133 -2.621 67 HE2 PHE 9 HE2 PHE 9 -1.706 5.364 1.253 68 HZ PHE 9 HZ PHE 9 -2.811 6.133 -0.808 69 H ARG 10 HN ARG 10 4.904 8.567 0.338 70 HA ARG 10 HA ARG 10 7.002 6.699 0.437 71 HB2 ARG 10 HB2 ARG 10 7.199 8.687 -0.918 72 HB3 ARG 10 HB1 ARG 10 7.050 9.716 0.500 73 HG2 ARG 10 HG2 ARG 10 9.180 8.826 1.348 74 HG3 ARG 10 HG1 ARG 10 9.333 7.849 -0.115 75 HD2 ARG 10 HD2 ARG 10 10.656 9.841 -0.361 76 HD3 ARG 10 HD1 ARG 10 9.276 9.925 -1.450 77 HE ARG 10 HE ARG 10 9.466 11.385 1.103 78 HH11 ARG 10 HH11 ARG 10 8.319 11.100 -2.190 79 HH12 ARG 10 HH12 ARG 10 7.597 12.681 -2.220 80 HH21 ARG 10 HH21 ARG 10 8.539 13.480 1.072 81 HH22 ARG 10 HH22 ARG 10 7.746 14.046 -0.371 82 H GLU 11 HN GLU 11 5.999 9.203 2.714 83 HA GLU 11 HA GLU 11 8.122 8.868 4.537 84 HB2 GLU 11 HB2 GLU 11 5.353 9.748 5.304 85 HB3 GLU 11 HB1 GLU 11 6.885 10.263 5.997 86 HG2 GLU 11 HG2 GLU 11 7.402 11.354 3.816 87 HG3 GLU 11 HG1 GLU 11 5.761 10.952 3.307 88 H ALA 12 HN ALA 12 4.865 7.552 4.397 89 HA ALA 12 HA ALA 12 5.026 6.037 6.788 90 HB1 ALA 12 HB1 ALA 12 3.269 5.572 4.379 91 HB2 ALA 12 HB2 ALA 12 2.898 6.639 5.733 92 HB3 ALA 12 HB3 ALA 12 3.027 4.899 5.992 93 H PHE 13 HN PHE 13 5.696 5.258 3.400 94 HA PHE 13 HA PHE 13 6.109 2.507 3.724 95 HB2 PHE 13 HB2 PHE 13 5.902 3.674 1.521 96 HB3 PHE 13 HB1 PHE 13 7.525 4.314 1.751 97 HD1 PHE 13 HD1 PHE 13 9.438 3.000 1.278 98 HD2 PHE 13 HD2 PHE 13 5.576 1.222 1.305 99 HE1 PHE 13 HE1 PHE 13 10.376 0.955 0.283 100 HE2 PHE 13 HE2 PHE 13 6.503 -0.825 0.313 101 HZ PHE 13 HZ PHE 13 8.908 -0.963 -0.202 102 H ILE 14 HN ILE 14 8.384 5.227 3.923 103 HA ILE 14 HA ILE 14 10.713 3.721 4.317 104 HB ILE 14 HB ILE 14 10.087 6.487 5.368 105 HG12 ILE 14 HG12 ILE 14 11.613 5.645 2.892 106 HG13 ILE 14 HG11 ILE 14 9.942 6.199 2.887 107 HG21 ILE 14 HG21 ILE 14 12.735 5.075 5.044 108 HG22 ILE 14 HG22 ILE 14 11.942 5.459 6.571 109 HG23 ILE 14 HG23 ILE 14 12.520 6.759 5.525 110 HD11 ILE 14 HD11 ILE 14 10.651 8.365 3.737 111 HD12 ILE 14 HD12 ILE 14 11.480 7.965 2.232 112 HD13 ILE 14 HD13 ILE 14 12.325 7.810 3.772 113 H LEU 15 HN LEU 15 8.326 4.931 6.634 114 HA LEU 15 HA LEU 15 9.669 4.321 8.997 115 HB2 LEU 15 HB2 LEU 15 6.715 4.226 8.396 116 HB3 LEU 15 HB1 LEU 15 7.401 4.136 10.006 117 HG LEU 15 HG LEU 15 7.697 6.486 8.136 118 HD11 LEU 15 HD11 LEU 15 6.141 7.620 9.634 119 HD12 LEU 15 HD12 LEU 15 5.939 6.132 10.560 120 HD13 LEU 15 HD13 LEU 15 5.392 6.209 8.886 121 HD21 LEU 15 HD21 LEU 15 9.568 6.276 9.672 122 HD22 LEU 15 HD22 LEU 15 8.457 6.124 11.032 123 HD23 LEU 15 HD23 LEU 15 8.545 7.637 10.132 124 H PHE 16 HN PHE 16 7.476 2.309 7.076 125 HA PHE 16 HA PHE 16 7.815 0.040 8.794 126 HB2 PHE 16 HB2 PHE 16 6.481 0.433 6.122 127 HB3 PHE 16 HB1 PHE 16 6.581 -1.144 6.896 128 HD1 PHE 16 HD1 PHE 16 4.873 -1.808 8.285 129 HD2 PHE 16 HD2 PHE 16 5.486 2.349 7.626 130 HE1 PHE 16 HE1 PHE 16 2.844 -1.307 9.585 131 HE2 PHE 16 HE2 PHE 16 3.461 2.858 8.925 132 HZ PHE 16 HZ PHE 16 2.138 1.030 9.909 133 H SER 17 HN SER 17 9.253 1.158 5.795 134 HA SER 17 HA SER 17 10.509 -1.398 5.268 135 HB2 SER 17 HB2 SER 17 9.616 -0.037 3.419 136 HB3 SER 17 HB1 SER 17 10.757 1.245 3.812 137 HG SER 17 HG SER 17 12.257 -0.832 3.549 138 H SER 18 HN SER 18 11.264 1.053 7.332 139 HA SER 18 HA SER 18 14.030 1.417 6.903 140 HB2 SER 18 HB2 SER 18 12.560 2.906 8.293 141 HB3 SER 18 HB1 SER 18 12.535 1.647 9.525 142 HG SER 18 HG SER 18 14.939 2.759 8.525 143 H CYS 19 HN CYS 19 14.471 -0.864 6.439 144 HA CYS 19 HA CYS 19 15.912 -2.111 8.515 145 HB2 CYS 19 HB2 CYS 19 13.675 -2.770 9.309 146 HB3 CYS 19 HB1 CYS 19 13.320 -3.470 7.735 147 HG CYS 19 HG CYS 19 15.897 -4.611 9.658 148 H SER 20 HN SER 20 14.179 -2.500 5.469 149 HA SER 20 HA SER 20 16.564 -3.754 4.321 150 HB2 SER 20 HB2 SER 20 13.734 -4.768 3.924 151 HB3 SER 20 HB1 SER 20 15.177 -5.403 3.136 152 HG SER 20 HG SER 20 14.253 -5.767 5.724 153 H ASP 21 HN ASP 21 16.174 -3.906 1.799 154 HA ASP 21 HA ASP 21 15.488 -1.218 0.942 155 HB2 ASP 21 HB2 ASP 21 16.628 -3.580 -0.568 156 HB3 ASP 21 HB1 ASP 21 16.325 -2.003 -1.287 157 H HIS 22 HN HIS 22 14.313 -4.483 0.603 158 HA HIS 22 HA HIS 22 11.955 -3.490 -0.860 159 HB2 HIS 22 HB2 HIS 22 12.852 -6.360 -0.457 160 HB3 HIS 22 HB1 HIS 22 11.550 -5.804 -1.501 161 HD1 HIS 22 HD1 HIS 22 15.065 -6.663 -1.538 162 HD2 HIS 22 HD2 HIS 22 12.581 -4.163 -3.743 163 HE1 HIS 22 HE1 HIS 22 16.303 -6.193 -3.670 164 HE2 HIS 22 HE2 HIS 22 14.860 -4.545 -4.908 165 H ILE 23 HN ILE 23 9.840 -4.331 -0.093 166 HA ILE 23 HA ILE 23 9.934 -4.575 2.825 167 HB ILE 23 HB ILE 23 8.665 -2.670 1.904 168 HG12 ILE 23 HG12 ILE 23 6.854 -4.621 3.316 169 HG13 ILE 23 HG11 ILE 23 8.156 -3.745 4.115 170 HG21 ILE 23 HG21 ILE 23 7.766 -3.597 -0.127 171 HG22 ILE 23 HG22 ILE 23 6.424 -3.078 0.894 172 HG23 ILE 23 HG23 ILE 23 6.837 -4.789 0.780 173 HD11 ILE 23 HD11 ILE 23 7.088 -1.632 3.562 174 HD12 ILE 23 HD12 ILE 23 5.998 -2.679 4.473 175 HD13 ILE 23 HD13 ILE 23 5.794 -2.495 2.731 176 H GLU 24 HN GLU 24 9.415 -6.342 3.804 177 HA GLU 24 HA GLU 24 8.699 -8.713 2.394 178 HB2 GLU 24 HB2 GLU 24 8.960 -8.093 5.337 179 HB3 GLU 24 HB1 GLU 24 8.608 -9.699 4.709 180 HG2 GLU 24 HG2 GLU 24 10.673 -9.582 3.405 181 HG3 GLU 24 HG1 GLU 24 11.058 -8.056 4.179 182 H MET 25 HN MET 25 6.877 -9.977 2.662 183 HA MET 25 HA MET 25 4.487 -8.626 2.304 184 HB2 MET 25 HB2 MET 25 5.135 -11.497 2.870 185 HB3 MET 25 HB1 MET 25 3.466 -10.964 2.734 186 HG2 MET 25 HG2 MET 25 5.550 -10.545 0.608 187 HG3 MET 25 HG1 MET 25 4.426 -11.903 0.646 188 HE1 MET 25 HE1 MET 25 4.794 -9.870 -1.801 189 HE2 MET 25 HE2 MET 25 3.117 -9.608 -2.280 190 HE3 MET 25 HE3 MET 25 3.668 -11.227 -1.848 191 H TYR 26 HN TYR 26 5.922 -9.780 5.310 192 HA TYR 26 HA TYR 26 3.422 -9.653 6.720 193 HB2 TYR 26 HB2 TYR 26 4.694 -10.107 8.704 194 HB3 TYR 26 HB1 TYR 26 5.268 -11.154 7.429 195 HD1 TYR 26 HD1 TYR 26 6.076 -8.095 9.373 196 HD2 TYR 26 HD2 TYR 26 7.545 -11.147 6.805 197 HE1 TYR 26 HE1 TYR 26 8.379 -7.368 9.828 198 HE2 TYR 26 HE2 TYR 26 9.839 -10.428 7.252 199 HH TYR 26 HH TYR 26 11.059 -8.577 7.993 200 H LYS 27 HN LYS 27 6.120 -7.521 6.138 201 HA LYS 27 HA LYS 27 5.268 -5.513 8.003 202 HB2 LYS 27 HB2 LYS 27 7.619 -5.977 7.539 203 HB3 LYS 27 HB1 LYS 27 7.373 -5.609 5.844 204 HG2 LYS 27 HG2 LYS 27 8.453 -3.802 7.034 205 HG3 LYS 27 HG1 LYS 27 6.900 -3.331 6.352 206 HD2 LYS 27 HD2 LYS 27 7.075 -2.404 8.564 207 HD3 LYS 27 HD1 LYS 27 5.869 -3.682 8.582 208 HE2 LYS 27 HE2 LYS 27 7.500 -5.220 9.540 209 HE3 LYS 27 HE1 LYS 27 8.730 -3.958 9.493 210 HZ1 LYS 27 HZ1 LYS 27 7.688 -4.228 11.692 211 HZ2 LYS 27 HZ2 LYS 27 6.195 -3.776 11.032 212 HZ3 LYS 27 HZ3 LYS 27 7.479 -2.674 11.061 213 H PHE 28 HN PHE 28 5.149 -6.220 4.614 214 HA PHE 28 HA PHE 28 4.242 -3.767 3.628 215 HB2 PHE 28 HB2 PHE 28 5.072 -5.400 2.106 216 HB3 PHE 28 HB1 PHE 28 3.919 -6.606 2.664 217 HD1 PHE 28 HD1 PHE 28 4.335 -3.540 0.690 218 HD2 PHE 28 HD2 PHE 28 1.707 -6.681 1.831 219 HE1 PHE 28 HE1 PHE 28 2.786 -2.880 -1.090 220 HE2 PHE 28 HE2 PHE 28 0.146 -6.027 0.060 221 HZ PHE 28 HZ PHE 28 0.660 -4.134 -1.405 222 H PHE 29 HN PHE 29 2.444 -6.573 4.861 223 HA PHE 29 HA PHE 29 -0.072 -5.581 4.013 224 HB2 PHE 29 HB2 PHE 29 0.704 -8.017 4.707 225 HB3 PHE 29 HB1 PHE 29 0.089 -7.516 6.279 226 HD1 PHE 29 HD1 PHE 29 -2.292 -6.740 6.449 227 HD2 PHE 29 HD2 PHE 29 -0.769 -8.681 2.971 228 HE1 PHE 29 HE1 PHE 29 -4.584 -7.255 5.735 229 HE2 PHE 29 HE2 PHE 29 -3.063 -9.200 2.263 230 HZ PHE 29 HZ PHE 29 -4.973 -8.487 3.640 231 H GLU 30 HN GLU 30 1.665 -5.412 7.111 232 HA GLU 30 HA GLU 30 -0.429 -4.078 8.474 233 HB2 GLU 30 HB2 GLU 30 1.342 -3.370 10.096 234 HB3 GLU 30 HB1 GLU 30 1.225 -5.100 9.830 235 HG2 GLU 30 HG2 GLU 30 3.165 -4.990 8.345 236 HG3 GLU 30 HG1 GLU 30 3.284 -3.257 8.646 237 H LEU 31 HN LEU 31 2.111 -2.983 6.365 238 HA LEU 31 HA LEU 31 1.974 -0.233 6.883 239 HB2 LEU 31 HB2 LEU 31 3.809 -1.015 5.631 240 HB3 LEU 31 HB1 LEU 31 2.774 -1.846 4.486 241 HG LEU 31 HG LEU 31 1.972 0.470 3.763 242 HD11 LEU 31 HD11 LEU 31 4.465 1.289 5.240 243 HD12 LEU 31 HD12 LEU 31 2.812 1.731 5.664 244 HD13 LEU 31 HD13 LEU 31 3.519 2.310 4.156 245 HD21 LEU 31 HD21 LEU 31 4.846 -0.284 3.275 246 HD22 LEU 31 HD22 LEU 31 3.851 0.762 2.261 247 HD23 LEU 31 HD23 LEU 31 3.448 -0.945 2.428 248 H MET 32 HN MET 32 0.015 -2.280 4.807 249 HA MET 32 HA MET 32 -1.164 0.120 3.646 250 HB2 MET 32 HB2 MET 32 -2.183 -1.577 1.990 251 HB3 MET 32 HB1 MET 32 -0.473 -1.192 1.888 252 HG2 MET 32 HG2 MET 32 -0.615 -3.490 1.611 253 HG3 MET 32 HG1 MET 32 -0.085 -3.266 3.277 254 HE1 MET 32 HE1 MET 32 -2.232 -5.034 0.980 255 HE2 MET 32 HE2 MET 32 -3.024 -6.125 2.122 256 HE3 MET 32 HE3 MET 32 -1.264 -5.985 2.110 257 H ASN 33 HN ASN 33 -2.151 -2.645 5.585 258 HA ASN 33 HA ASN 33 -4.925 -2.152 5.306 259 HB2 ASN 33 HB2 ASN 33 -5.304 -3.662 7.039 260 HB3 ASN 33 HB1 ASN 33 -3.763 -4.215 6.399 261 HD21 ASN 33 HD21 ASN 33 -1.948 -4.053 7.641 262 HD22 ASN 33 HD22 ASN 33 -1.980 -3.596 9.315 263 H SER 34 HN SER 34 -2.403 -0.603 7.046 264 HA SER 34 HA SER 34 -3.947 0.759 8.989 265 HB2 SER 34 HB2 SER 34 -1.287 1.487 7.739 266 HB3 SER 34 HB1 SER 34 -1.975 2.261 9.165 267 HG SER 34 HG SER 34 -0.792 -0.243 8.884 268 H PHE 35 HN PHE 35 -3.401 1.292 5.608 269 HA PHE 35 HA PHE 35 -4.506 3.988 5.711 270 HB2 PHE 35 HB2 PHE 35 -3.360 2.298 3.500 271 HB3 PHE 35 HB1 PHE 35 -4.228 3.791 3.160 272 HD1 PHE 35 HD1 PHE 35 -1.159 2.323 4.459 273 HD2 PHE 35 HD2 PHE 35 -3.303 5.943 3.824 274 HE1 PHE 35 HE1 PHE 35 0.909 3.606 4.817 275 HE2 PHE 35 HE2 PHE 35 -1.240 7.233 4.179 276 HZ PHE 35 HZ PHE 35 0.872 6.066 4.676 277 H GLY 36 HN GLY 36 -5.826 1.091 5.998 278 HA2 GLY 36 HA2 GLY 36 -8.027 0.419 5.838 279 HA3 GLY 36 HA1 GLY 36 -8.402 1.966 5.094 280 H ILE 37 HN ILE 37 -5.841 0.362 3.588 281 HA ILE 37 HA ILE 37 -7.431 -0.053 1.220 282 HB ILE 37 HB ILE 37 -4.497 -0.580 1.726 283 HG12 ILE 37 HG12 ILE 37 -5.838 1.729 0.302 284 HG13 ILE 37 HG11 ILE 37 -5.199 1.802 1.941 285 HG21 ILE 37 HG21 ILE 37 -6.056 -0.505 -0.856 286 HG22 ILE 37 HG22 ILE 37 -5.310 -1.923 -0.120 287 HG23 ILE 37 HG23 ILE 37 -4.301 -0.612 -0.727 288 HD11 ILE 37 HD11 ILE 37 -3.603 1.280 -0.557 289 HD12 ILE 37 HD12 ILE 37 -2.960 1.356 1.084 290 HD13 ILE 37 HD13 ILE 37 -3.665 2.795 0.347 291 H ILE 38 HN ILE 38 -8.295 -1.921 0.583 292 HA ILE 38 HA ILE 38 -7.661 -4.318 2.125 293 HB ILE 38 HB ILE 38 -9.662 -5.264 0.799 294 HG12 ILE 38 HG12 ILE 38 -10.168 -2.296 0.478 295 HG13 ILE 38 HG11 ILE 38 -9.786 -3.410 -0.831 296 HG21 ILE 38 HG21 ILE 38 -10.033 -3.130 2.889 297 HG22 ILE 38 HG22 ILE 38 -9.652 -4.828 3.179 298 HG23 ILE 38 HG23 ILE 38 -11.207 -4.379 2.473 299 HD11 ILE 38 HD11 ILE 38 -12.235 -3.491 0.914 300 HD12 ILE 38 HD12 ILE 38 -11.854 -4.633 -0.373 301 HD13 ILE 38 HD13 ILE 38 -12.157 -2.941 -0.760 302 H LEU 39 HN LEU 39 -6.664 -6.003 1.336 303 HA LEU 39 HA LEU 39 -6.201 -6.210 -1.555 304 HB2 LEU 39 HB2 LEU 39 -4.312 -5.065 -0.178 305 HB3 LEU 39 HB1 LEU 39 -3.990 -6.675 0.425 306 HG LEU 39 HG LEU 39 -3.926 -5.980 -2.514 307 HD11 LEU 39 HD11 LEU 39 -2.250 -4.691 -1.196 308 HD12 LEU 39 HD12 LEU 39 -1.538 -5.834 -2.336 309 HD13 LEU 39 HD13 LEU 39 -1.600 -6.225 -0.617 310 HD21 LEU 39 HD21 LEU 39 -2.661 -8.022 -2.709 311 HD22 LEU 39 HD22 LEU 39 -4.226 -8.351 -1.957 312 HD23 LEU 39 HD23 LEU 39 -2.765 -8.279 -0.970 313 H THR 40 HN THR 40 -6.834 -8.188 -2.171 314 HA THR 40 HA THR 40 -7.158 -10.251 -0.144 315 HB THR 40 HB THR 40 -8.219 -11.532 -2.073 316 HG1 THR 40 HG1 THR 40 -8.008 -8.941 -3.267 317 HG21 THR 40 HG21 THR 40 -9.427 -8.898 -1.236 318 HG22 THR 40 HG22 THR 40 -9.499 -10.407 -0.327 319 HG23 THR 40 HG23 THR 40 -10.306 -10.281 -1.889 320 H ASN 41 HN ASN 41 -6.719 -12.572 -0.913 321 HA ASN 41 HA ASN 41 -3.941 -12.876 -1.159 322 HB2 ASN 41 HB2 ASN 41 -6.155 -14.880 -1.634 323 HB3 ASN 41 HB1 ASN 41 -4.446 -15.294 -1.599 324 HD21 ASN 41 HD21 ASN 41 -4.590 -16.623 0.158 325 HD22 ASN 41 HD22 ASN 41 -4.915 -16.049 1.757 326 H ASP 42 HN ASP 42 -6.516 -13.089 -3.550 327 HA ASP 42 HA ASP 42 -5.024 -13.936 -5.755 328 HB2 ASP 42 HB2 ASP 42 -7.437 -13.898 -5.838 329 HB3 ASP 42 HB1 ASP 42 -7.463 -12.155 -5.597 330 H GLU 43 HN GLU 43 -5.694 -10.678 -4.554 331 HA GLU 43 HA GLU 43 -4.510 -9.294 -6.684 332 HB2 GLU 43 HB2 GLU 43 -5.028 -8.471 -3.834 333 HB3 GLU 43 HB1 GLU 43 -4.446 -7.367 -5.074 334 HG2 GLU 43 HG2 GLU 43 -6.436 -7.688 -6.373 335 HG3 GLU 43 HG1 GLU 43 -6.999 -8.945 -5.273 336 H LYS 44 HN LYS 44 -3.141 -10.535 -3.674 337 HA LYS 44 HA LYS 44 -0.661 -9.268 -3.664 338 HB2 LYS 44 HB2 LYS 44 -1.174 -12.157 -2.904 339 HB3 LYS 44 HB1 LYS 44 0.162 -11.153 -2.360 340 HG2 LYS 44 HG2 LYS 44 -1.340 -9.744 -1.114 341 HG3 LYS 44 HG1 LYS 44 -2.733 -10.614 -1.766 342 HD2 LYS 44 HD2 LYS 44 -2.350 -11.430 0.443 343 HD3 LYS 44 HD1 LYS 44 -1.819 -12.686 -0.675 344 HE2 LYS 44 HE2 LYS 44 -0.194 -12.468 1.085 345 HE3 LYS 44 HE1 LYS 44 0.505 -11.872 -0.420 346 HZ1 LYS 44 HZ1 LYS 44 1.024 -10.402 1.407 347 HZ2 LYS 44 HZ2 LYS 44 -0.616 -10.204 1.768 348 HZ3 LYS 44 HZ3 LYS 44 0.007 -9.607 0.311 349 H ALA 45 HN ALA 45 -1.819 -11.882 -5.672 350 HA ALA 45 HA ALA 45 0.652 -12.833 -6.612 351 HB1 ALA 45 HB1 ALA 45 -1.443 -14.055 -6.888 352 HB2 ALA 45 HB2 ALA 45 -0.612 -13.834 -8.427 353 HB3 ALA 45 HB3 ALA 45 -2.007 -12.832 -8.026 354 H ALA 46 HN ALA 46 -0.814 -9.790 -7.151 355 HA ALA 46 HA ALA 46 0.422 -9.511 -9.813 356 HB1 ALA 46 HB1 ALA 46 -1.869 -8.686 -9.592 357 HB2 ALA 46 HB2 ALA 46 -0.756 -7.358 -9.920 358 HB3 ALA 46 HB3 ALA 46 -1.367 -7.614 -8.285 359 H LEU 47 HN LEU 47 0.718 -8.685 -6.524 360 HA LEU 47 HA LEU 47 2.753 -6.775 -6.620 361 HB2 LEU 47 HB2 LEU 47 1.983 -8.885 -4.601 362 HB3 LEU 47 HB1 LEU 47 3.179 -7.644 -4.293 363 HG LEU 47 HG LEU 47 1.444 -5.956 -4.567 364 HD11 LEU 47 HD11 LEU 47 -0.942 -6.699 -4.397 365 HD12 LEU 47 HD12 LEU 47 -0.350 -8.195 -5.125 366 HD13 LEU 47 HD13 LEU 47 -0.146 -6.658 -5.965 367 HD21 LEU 47 HD21 LEU 47 0.776 -8.034 -2.541 368 HD22 LEU 47 HD22 LEU 47 0.236 -6.354 -2.508 369 HD23 LEU 47 HD23 LEU 47 1.952 -6.730 -2.357 370 HA PRO 48 HA PRO 48 6.101 -9.479 -7.980 371 HB2 PRO 48 HB2 PRO 48 7.829 -7.353 -6.897 372 HB3 PRO 48 HB1 PRO 48 7.732 -7.986 -8.542 373 HG2 PRO 48 HG2 PRO 48 6.813 -5.541 -7.908 374 HG3 PRO 48 HG1 PRO 48 6.029 -6.548 -9.137 375 HD2 PRO 48 HD2 PRO 48 5.218 -6.035 -6.302 376 HD3 PRO 48 HD1 PRO 48 4.209 -6.171 -7.759 377 H ASN 49 HN ASN 49 7.922 -10.580 -6.915 378 HA ASN 49 HA ASN 49 7.408 -11.291 -4.242 379 HB2 ASN 49 HB2 ASN 49 9.843 -11.681 -5.987 380 HB3 ASN 49 HB1 ASN 49 9.709 -12.351 -4.367 381 HD21 ASN 49 HD21 ASN 49 9.905 -14.411 -5.221 382 HD22 ASN 49 HD22 ASN 49 8.588 -15.207 -6.008 383 H ASP 50 HN ASP 50 9.453 -8.881 -5.706 384 HA ASP 50 HA ASP 50 10.159 -7.911 -3.015 385 HB2 ASP 50 HB2 ASP 50 11.444 -7.232 -5.677 386 HB3 ASP 50 HB1 ASP 50 11.944 -6.614 -4.109 387 H ILE 51 HN ILE 51 8.886 -6.290 -2.363 388 HA ILE 51 HA ILE 51 7.586 -4.644 -4.412 389 HB ILE 51 HB ILE 51 6.863 -4.898 -1.490 390 HG12 ILE 51 HG12 ILE 51 5.504 -6.091 -3.918 391 HG13 ILE 51 HG11 ILE 51 6.510 -6.991 -2.789 392 HG21 ILE 51 HG21 ILE 51 4.804 -3.742 -2.131 393 HG22 ILE 51 HG22 ILE 51 5.403 -3.589 -3.783 394 HG23 ILE 51 HG23 ILE 51 6.225 -2.752 -2.465 395 HD11 ILE 51 HD11 ILE 51 4.153 -7.337 -2.342 396 HD12 ILE 51 HD12 ILE 51 3.926 -5.601 -2.126 397 HD13 ILE 51 HD13 ILE 51 4.932 -6.507 -0.995 398 H ASN 52 HN ASN 52 8.257 -2.656 -4.731 399 HA ASN 52 HA ASN 52 9.885 -1.370 -2.648 400 HB2 ASN 52 HB2 ASN 52 9.933 -1.096 -5.651 401 HB3 ASN 52 HB1 ASN 52 10.709 0.070 -4.587 402 HD21 ASN 52 HD21 ASN 52 12.533 -0.514 -3.450 403 HD22 ASN 52 HD22 ASN 52 13.441 -1.935 -3.828 404 H MET 53 HN MET 53 9.835 1.162 -3.052 405 HA MET 53 HA MET 53 7.318 2.042 -2.235 406 HB2 MET 53 HB2 MET 53 9.472 3.205 -1.814 407 HB3 MET 53 HB1 MET 53 9.515 3.683 -3.505 408 HG2 MET 53 HG2 MET 53 7.488 4.975 -3.220 409 HG3 MET 53 HG1 MET 53 7.374 4.448 -1.542 410 HE1 MET 53 HE1 MET 53 10.562 6.131 0.025 411 HE2 MET 53 HE2 MET 53 10.433 4.511 -0.661 412 HE3 MET 53 HE3 MET 53 9.136 5.147 0.351 413 H ASP 54 HN ASP 54 8.778 1.883 -5.424 414 HA ASP 54 HA ASP 54 7.031 3.500 -6.854 415 HB2 ASP 54 HB2 ASP 54 8.593 1.060 -7.663 416 HB3 ASP 54 HB1 ASP 54 7.592 1.943 -8.809 417 H TYR 55 HN TYR 55 6.746 -0.008 -6.210 418 HA TYR 55 HA TYR 55 4.261 -0.223 -7.577 419 HB2 TYR 55 HB2 TYR 55 5.846 -2.163 -6.966 420 HB3 TYR 55 HB1 TYR 55 5.106 -2.091 -5.369 421 HD1 TYR 55 HD1 TYR 55 4.258 -2.437 -8.964 422 HD2 TYR 55 HD2 TYR 55 3.082 -3.267 -4.951 423 HE1 TYR 55 HE1 TYR 55 2.385 -3.789 -9.789 424 HE2 TYR 55 HE2 TYR 55 1.217 -4.600 -5.774 425 HH TYR 55 HH TYR 55 0.938 -5.608 -9.004 426 H TRP 56 HN TRP 56 5.197 0.403 -4.257 427 HA TRP 56 HA TRP 56 2.742 0.140 -2.997 428 HB2 TRP 56 HB2 TRP 56 4.779 0.422 -1.737 429 HB3 TRP 56 HB1 TRP 56 5.050 2.009 -2.437 430 HD1 TRP 56 HD1 TRP 56 4.821 3.634 -0.467 431 HE1 TRP 56 HE1 TRP 56 3.049 4.086 1.342 432 HE3 TRP 56 HE3 TRP 56 1.680 -0.271 -1.431 433 HZ2 TRP 56 HZ2 TRP 56 0.623 2.942 2.232 434 HZ3 TRP 56 HZ3 TRP 56 -0.350 -0.520 -0.064 435 HH2 TRP 56 HH2 TRP 56 -0.863 1.055 1.730 436 H LEU 57 HN LEU 57 4.180 3.018 -4.499 437 HA LEU 57 HA LEU 57 2.028 4.760 -3.941 438 HB2 LEU 57 HB2 LEU 57 3.918 4.882 -6.290 439 HB3 LEU 57 HB1 LEU 57 2.988 6.213 -5.631 440 HG LEU 57 HG LEU 57 5.171 4.766 -4.151 441 HD11 LEU 57 HD11 LEU 57 6.120 5.927 -6.043 442 HD12 LEU 57 HD12 LEU 57 6.504 6.803 -4.562 443 HD13 LEU 57 HD13 LEU 57 5.231 7.393 -5.629 444 HD21 LEU 57 HD21 LEU 57 3.596 7.269 -3.548 445 HD22 LEU 57 HD22 LEU 57 5.038 6.761 -2.665 446 HD23 LEU 57 HD23 LEU 57 3.589 5.756 -2.641 447 H ASN 58 HN ASN 58 2.856 2.892 -6.810 448 HA ASN 58 HA ASN 58 0.753 3.831 -8.439 449 HB2 ASN 58 HB2 ASN 58 2.788 2.789 -9.353 450 HB3 ASN 58 HB1 ASN 58 2.320 1.246 -8.645 451 HD21 ASN 58 HD21 ASN 58 1.695 3.563 -11.143 452 HD22 ASN 58 HD22 ASN 58 0.673 2.553 -12.107 453 H PHE 59 HN PHE 59 1.092 0.975 -6.419 454 HA PHE 59 HA PHE 59 -1.339 -0.274 -7.050 455 HB2 PHE 59 HB2 PHE 59 0.438 -1.417 -5.867 456 HB3 PHE 59 HB1 PHE 59 0.333 -0.286 -4.526 457 HD1 PHE 59 HD1 PHE 59 -0.820 -3.362 -5.912 458 HD2 PHE 59 HD2 PHE 59 -1.777 -0.290 -3.129 459 HE1 PHE 59 HE1 PHE 59 -2.372 -4.885 -4.765 460 HE2 PHE 59 HE2 PHE 59 -3.342 -1.801 -1.993 461 HZ PHE 59 HZ PHE 59 -3.645 -4.094 -2.813 462 H ALA 60 HN ALA 60 -0.470 2.130 -4.612 463 HA ALA 60 HA ALA 60 -3.040 2.233 -3.394 464 HB1 ALA 60 HB1 ALA 60 -2.220 4.242 -2.291 465 HB2 ALA 60 HB2 ALA 60 -0.839 4.292 -3.389 466 HB3 ALA 60 HB3 ALA 60 -1.011 2.958 -2.245 467 H LYS 61 HN LYS 61 -1.518 3.948 -6.042 468 HA LYS 61 HA LYS 61 -3.456 5.986 -6.388 469 HB2 LYS 61 HB2 LYS 61 -1.654 4.710 -8.454 470 HB3 LYS 61 HB1 LYS 61 -2.509 6.234 -8.631 471 HG2 LYS 61 HG2 LYS 61 -0.449 5.710 -6.512 472 HG3 LYS 61 HG1 LYS 61 -0.097 6.430 -8.073 473 HD2 LYS 61 HD2 LYS 61 -2.100 7.566 -6.133 474 HD3 LYS 61 HD1 LYS 61 -0.410 8.069 -6.200 475 HE2 LYS 61 HE2 LYS 61 -2.424 8.268 -8.438 476 HE3 LYS 61 HE1 LYS 61 -1.822 9.602 -7.457 477 HZ1 LYS 61 HZ1 LYS 61 -0.687 9.506 -9.577 478 HZ2 LYS 61 HZ2 LYS 61 -0.193 7.917 -9.277 479 HZ3 LYS 61 HZ3 LYS 61 0.402 9.176 -8.323 480 H LYS 62 HN LYS 62 -3.251 2.658 -7.332 481 HA LYS 62 HA LYS 62 -5.286 2.686 -9.338 482 HB2 LYS 62 HB2 LYS 62 -3.487 1.009 -9.261 483 HB3 LYS 62 HB1 LYS 62 -4.104 0.408 -7.735 484 HG2 LYS 62 HG2 LYS 62 -6.183 -0.252 -8.868 485 HG3 LYS 62 HG1 LYS 62 -5.498 0.295 -10.398 486 HD2 LYS 62 HD2 LYS 62 -4.205 -1.800 -8.661 487 HD3 LYS 62 HD1 LYS 62 -5.349 -2.185 -9.945 488 HE2 LYS 62 HE2 LYS 62 -3.280 -2.448 -10.973 489 HE3 LYS 62 HE1 LYS 62 -3.771 -0.832 -11.463 490 HZ1 LYS 62 HZ1 LYS 62 -1.937 -1.388 -9.191 491 HZ2 LYS 62 HZ2 LYS 62 -2.292 0.121 -9.873 492 HZ3 LYS 62 HZ3 LYS 62 -1.422 -1.020 -10.759 493 H HIS 63 HN HIS 63 -5.123 1.816 -5.940 494 HA HIS 63 HA HIS 63 -7.836 0.973 -5.727 495 HB2 HIS 63 HB2 HIS 63 -5.700 1.586 -3.699 496 HB3 HIS 63 HB1 HIS 63 -7.348 1.193 -3.213 497 HD1 HIS 63 HD1 HIS 63 -7.520 -1.196 -2.593 498 HD2 HIS 63 HD2 HIS 63 -4.836 -0.601 -5.708 499 HE1 HIS 63 HE1 HIS 63 -6.693 -3.482 -3.213 500 HE2 HIS 63 HE2 HIS 63 -5.295 -3.112 -5.273 501 H TYR 64 HN TYR 64 -6.217 3.963 -5.581 502 HA TYR 64 HA TYR 64 -7.385 5.753 -4.071 503 HB2 TYR 64 HB2 TYR 64 -6.135 5.787 -6.573 504 HB3 TYR 64 HB1 TYR 64 -7.594 6.742 -6.771 505 HD1 TYR 64 HD1 TYR 64 -7.789 8.903 -5.792 506 HD2 TYR 64 HD2 TYR 64 -4.472 6.413 -4.880 507 HE1 TYR 64 HE1 TYR 64 -6.644 10.818 -4.755 508 HE2 TYR 64 HE2 TYR 64 -3.315 8.297 -3.851 509 HH TYR 64 HH TYR 64 -4.886 11.230 -3.105 510 H ASN 65 HN ASN 65 -9.314 6.414 -3.509 511 HA ASN 65 HA ASN 65 -11.624 5.655 -5.124 512 HB2 ASN 65 HB2 ASN 65 -11.467 6.751 -2.306 513 HB3 ASN 65 HB1 ASN 65 -12.939 6.235 -3.117 514 HD21 ASN 65 HD21 ASN 65 -13.301 4.046 -3.463 515 HD22 ASN 65 HD22 ASN 65 -12.418 2.826 -2.616 516 H TYR 66 HN TYR 66 -11.618 7.165 -6.741 517 HA TYR 66 HA TYR 66 -12.179 9.913 -5.880 518 HB2 TYR 66 HB2 TYR 66 -10.952 10.754 -7.871 519 HB3 TYR 66 HB1 TYR 66 -9.908 9.947 -6.711 520 HD1 TYR 66 HD1 TYR 66 -11.025 10.061 -10.118 521 HD2 TYR 66 HD2 TYR 66 -9.176 7.554 -7.214 522 HE1 TYR 66 HE1 TYR 66 -10.135 8.637 -11.915 523 HE2 TYR 66 HE2 TYR 66 -8.286 6.128 -9.006 524 HH TYR 66 HH TYR 66 -8.262 7.059 -12.257 525 H GLU 67 HN GLU 67 -13.771 10.966 -6.987 526 HA GLU 67 HA GLU 67 -15.895 9.477 -7.851 527 HB2 GLU 67 HB2 GLU 67 -15.381 12.290 -8.768 528 HB3 GLU 67 HB1 GLU 67 -16.933 11.505 -8.528 529 HG2 GLU 67 HG2 GLU 67 -16.729 12.838 -6.674 530 HG3 GLU 67 HG1 GLU 67 -16.197 11.280 -6.078 531 H GLN 68 HN GLN 68 -14.018 11.559 -10.068 532 HA GLN 68 HA GLN 68 -14.092 9.561 -12.143 533 HB2 GLN 68 HB2 GLN 68 -16.347 10.412 -12.361 534 HB3 GLN 68 HB1 GLN 68 -15.764 12.069 -12.348 535 HG2 GLN 68 HG2 GLN 68 -14.685 11.748 -14.481 536 HG3 GLN 68 HG1 GLN 68 -15.146 10.047 -14.487 537 HE21 GLN 68 HE21 GLN 68 -17.271 12.546 -13.318 538 HE22 GLN 68 HE22 GLN 68 -18.413 12.447 -14.613 539 HA PRO 69 HA PRO 69 -10.492 12.028 -13.100 540 HB2 PRO 69 HB2 PRO 69 -9.607 10.571 -15.185 541 HB3 PRO 69 HB1 PRO 69 -9.473 9.992 -13.520 542 HG2 PRO 69 HG2 PRO 69 -11.494 9.290 -15.614 543 HG3 PRO 69 HG1 PRO 69 -10.653 8.227 -14.473 544 HD2 PRO 69 HD2 PRO 69 -13.200 9.120 -14.092 545 HD3 PRO 69 HD1 PRO 69 -12.101 8.712 -12.761 546 H PHE 70 HN PHE 70 -10.042 13.677 -14.501 547 HA PHE 70 HA PHE 70 -11.800 13.939 -16.852 548 HB2 PHE 70 HB2 PHE 70 -10.618 16.189 -15.211 549 HB3 PHE 70 HB1 PHE 70 -11.722 16.352 -16.575 550 HD1 PHE 70 HD1 PHE 70 -11.497 16.329 -13.103 551 HD2 PHE 70 HD2 PHE 70 -13.985 14.990 -16.282 552 HE1 PHE 70 HE1 PHE 70 -13.408 16.217 -11.557 553 HE2 PHE 70 HE2 PHE 70 -15.900 14.879 -14.745 554 HZ PHE 70 HZ PHE 70 -15.611 15.495 -12.378 555 H LYS 71 HN LYS 71 -9.552 12.520 -17.154 556 HA LYS 71 HA LYS 71 -7.513 14.327 -18.240 557 HB2 LYS 71 HB2 LYS 71 -6.889 12.532 -16.598 558 HB3 LYS 71 HB1 LYS 71 -7.335 11.342 -17.809 559 HG2 LYS 71 HG2 LYS 71 -4.993 11.551 -17.911 560 HG3 LYS 71 HG1 LYS 71 -5.617 12.419 -19.314 561 HD2 LYS 71 HD2 LYS 71 -5.325 14.537 -18.174 562 HD3 LYS 71 HD1 LYS 71 -4.813 13.705 -16.705 563 HE2 LYS 71 HE2 LYS 71 -2.893 12.768 -17.969 564 HE3 LYS 71 HE1 LYS 71 -3.383 13.733 -19.360 565 HZ1 LYS 71 HZ1 LYS 71 -3.078 15.730 -18.000 566 HZ2 LYS 71 HZ2 LYS 71 -1.647 14.843 -18.143 567 HZ3 LYS 71 HZ3 LYS 71 -2.542 14.775 -16.711 568 H HIS 72 HN HIS 72 -9.436 14.600 -19.869 569 HA HIS 72 HA HIS 72 -9.902 12.384 -21.653 570 HB2 HIS 72 HB2 HIS 72 -10.790 15.261 -21.936 571 HB3 HIS 72 HB1 HIS 72 -11.413 13.885 -22.835 572 HD1 HIS 72 HD1 HIS 72 -12.234 15.947 -20.070 573 HD2 HIS 72 HD2 HIS 72 -12.598 11.886 -20.877 574 HE1 HIS 72 HE1 HIS 72 -13.973 15.094 -18.469 575 HE2 HIS 72 HE2 HIS 72 -14.323 12.689 -19.124 576 H ILE 73 HN ILE 73 -7.186 13.555 -21.441 577 HA ILE 73 HA ILE 73 -6.689 14.698 -24.055 578 HB ILE 73 HB ILE 73 -4.708 13.785 -21.955 579 HG12 ILE 73 HG12 ILE 73 -5.816 16.553 -22.479 580 HG13 ILE 73 HG11 ILE 73 -6.251 15.529 -21.116 581 HG21 ILE 73 HG21 ILE 73 -3.136 15.268 -23.116 582 HG22 ILE 73 HG22 ILE 73 -4.367 15.614 -24.331 583 HG23 ILE 73 HG23 ILE 73 -3.720 13.981 -24.170 584 HD11 ILE 73 HD11 ILE 73 -3.953 15.629 -20.308 585 HD12 ILE 73 HD12 ILE 73 -4.652 17.238 -20.473 586 HD13 ILE 73 HD13 ILE 73 -3.514 16.645 -21.681 587 H ASN 74 HN ASN 74 -6.844 11.639 -22.545 588 HA ASN 74 HA ASN 74 -5.216 10.250 -24.479 589 HB2 ASN 74 HB2 ASN 74 -7.121 9.150 -22.398 590 HB3 ASN 74 HB1 ASN 74 -5.980 8.204 -23.345 591 HD21 ASN 74 HD21 ASN 74 -6.435 10.231 -20.622 592 HD22 ASN 74 HD22 ASN 74 -4.813 10.153 -20.024 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -4.329 17.012 -3.339 2 H2 MET 1 HT2 MET 1 -2.678 16.647 -3.310 3 H3 MET 1 HT3 MET 1 -3.760 15.755 -2.364 4 HA MET 1 HA MET 1 -4.801 14.825 -4.255 5 HB2 MET 1 HB2 MET 1 -4.003 15.287 -6.523 6 HB3 MET 1 HB1 MET 1 -4.588 16.749 -5.749 7 HG2 MET 1 HG2 MET 1 -2.352 17.483 -5.339 8 HG3 MET 1 HG1 MET 1 -1.697 15.985 -5.995 9 HE1 MET 1 HE1 MET 1 -2.004 15.265 -8.546 10 HE2 MET 1 HE2 MET 1 -2.717 16.297 -9.784 11 HE3 MET 1 HE3 MET 1 -3.738 15.590 -8.532 12 H ALA 2 HN ALA 2 -3.101 13.721 -6.254 13 HA ALA 2 HA ALA 2 -2.216 11.528 -4.830 14 HB1 ALA 2 HB1 ALA 2 -2.777 11.475 -7.199 15 HB2 ALA 2 HB2 ALA 2 -1.187 10.770 -6.898 16 HB3 ALA 2 HB3 ALA 2 -1.319 12.396 -7.569 17 H SER 3 HN SER 3 -0.307 14.330 -5.870 18 HA SER 3 HA SER 3 2.218 13.185 -5.431 19 HB2 SER 3 HB2 SER 3 1.852 15.261 -6.738 20 HB3 SER 3 HB1 SER 3 1.456 16.110 -5.246 21 HG SER 3 HG SER 3 3.532 15.942 -4.578 22 H ASP 4 HN ASP 4 0.217 15.209 -3.301 23 HA ASP 4 HA ASP 4 2.034 15.193 -1.129 24 HB2 ASP 4 HB2 ASP 4 0.251 16.864 -1.318 25 HB3 ASP 4 HB1 ASP 4 -0.966 15.605 -1.147 26 H MET 5 HN MET 5 -0.679 13.158 -2.047 27 HA MET 5 HA MET 5 -0.704 11.583 0.306 28 HB2 MET 5 HB2 MET 5 -2.545 11.801 -1.448 29 HB3 MET 5 HB1 MET 5 -1.621 10.655 -2.411 30 HG2 MET 5 HG2 MET 5 -3.386 9.544 -1.169 31 HG3 MET 5 HG1 MET 5 -1.795 9.000 -0.640 32 HE1 MET 5 HE1 MET 5 -2.906 7.942 1.557 33 HE2 MET 5 HE2 MET 5 -4.492 8.500 1.021 34 HE3 MET 5 HE3 MET 5 -3.939 8.857 2.658 35 H GLU 6 HN GLU 6 1.002 11.320 -2.782 36 HA GLU 6 HA GLU 6 2.170 8.810 -2.463 37 HB2 GLU 6 HB2 GLU 6 2.442 9.957 -4.538 38 HB3 GLU 6 HB1 GLU 6 3.211 11.333 -3.757 39 HG2 GLU 6 HG2 GLU 6 5.068 9.751 -3.106 40 HG3 GLU 6 HG1 GLU 6 4.327 8.587 -4.200 41 H GLU 7 HN GLU 7 3.256 11.980 -1.312 42 HA GLU 7 HA GLU 7 5.608 11.113 -0.051 43 HB2 GLU 7 HB2 GLU 7 3.815 13.444 0.641 44 HB3 GLU 7 HB1 GLU 7 5.450 13.213 1.243 45 HG2 GLU 7 HG2 GLU 7 6.230 13.250 -1.127 46 HG3 GLU 7 HG1 GLU 7 4.589 13.700 -1.584 47 H LYS 8 HN LYS 8 2.272 11.310 1.069 48 HA LYS 8 HA LYS 8 2.716 10.625 3.759 49 HB2 LYS 8 HB2 LYS 8 0.316 10.035 2.011 50 HB3 LYS 8 HB1 LYS 8 0.350 9.902 3.757 51 HG2 LYS 8 HG2 LYS 8 0.805 12.434 2.247 52 HG3 LYS 8 HG1 LYS 8 -0.722 11.949 2.977 53 HD2 LYS 8 HD2 LYS 8 0.404 11.850 5.170 54 HD3 LYS 8 HD1 LYS 8 1.883 12.441 4.411 55 HE2 LYS 8 HE2 LYS 8 -0.751 13.908 4.495 56 HE3 LYS 8 HE1 LYS 8 0.634 14.237 5.532 57 HZ1 LYS 8 HZ1 LYS 8 0.398 14.655 2.606 58 HZ2 LYS 8 HZ2 LYS 8 1.895 14.642 3.400 59 HZ3 LYS 8 HZ3 LYS 8 0.736 15.798 3.810 60 H PHE 9 HN PHE 9 2.164 8.613 0.883 61 HA PHE 9 HA PHE 9 2.249 6.146 2.312 62 HB2 PHE 9 HB2 PHE 9 2.583 6.785 -0.621 63 HB3 PHE 9 HB1 PHE 9 2.572 5.146 0.019 64 HD1 PHE 9 HD1 PHE 9 0.447 5.080 1.916 65 HD2 PHE 9 HD2 PHE 9 0.652 7.168 -1.785 66 HE1 PHE 9 HE1 PHE 9 -2.006 5.016 1.749 67 HE2 PHE 9 HE2 PHE 9 -1.802 7.107 -1.960 68 HZ PHE 9 HZ PHE 9 -3.134 6.030 -0.190 69 H ARG 10 HN ARG 10 4.610 8.061 0.535 70 HA ARG 10 HA ARG 10 6.780 6.304 0.629 71 HB2 ARG 10 HB2 ARG 10 6.856 8.271 -0.752 72 HB3 ARG 10 HB1 ARG 10 6.647 9.319 0.641 73 HG2 ARG 10 HG2 ARG 10 8.856 8.710 1.456 74 HG3 ARG 10 HG1 ARG 10 9.063 7.607 0.096 75 HD2 ARG 10 HD2 ARG 10 8.938 9.438 -1.464 76 HD3 ARG 10 HD1 ARG 10 8.596 10.563 -0.158 77 HE ARG 10 HE ARG 10 11.055 9.257 0.315 78 HH11 ARG 10 HH11 ARG 10 9.603 11.628 -1.805 79 HH12 ARG 10 HH12 ARG 10 11.066 12.533 -2.018 80 HH21 ARG 10 HH21 ARG 10 13.008 10.445 0.034 81 HH22 ARG 10 HH22 ARG 10 13.007 11.857 -0.973 82 H GLU 11 HN GLU 11 5.756 8.794 2.886 83 HA GLU 11 HA GLU 11 7.791 8.587 4.764 84 HB2 GLU 11 HB2 GLU 11 6.256 10.392 4.807 85 HB3 GLU 11 HB1 GLU 11 4.889 9.318 5.048 86 HG2 GLU 11 HG2 GLU 11 5.926 8.692 7.251 87 HG3 GLU 11 HG1 GLU 11 7.066 10.014 6.995 88 H ALA 12 HN ALA 12 4.743 6.827 4.528 89 HA ALA 12 HA ALA 12 5.125 5.309 6.908 90 HB1 ALA 12 HB1 ALA 12 3.238 3.978 6.130 91 HB2 ALA 12 HB2 ALA 12 3.346 4.732 4.540 92 HB3 ALA 12 HB3 ALA 12 2.902 5.699 5.946 93 H PHE 13 HN PHE 13 5.745 4.772 3.486 94 HA PHE 13 HA PHE 13 6.439 2.075 3.564 95 HB2 PHE 13 HB2 PHE 13 6.077 3.496 1.511 96 HB3 PHE 13 HB1 PHE 13 7.685 4.164 1.767 97 HD1 PHE 13 HD1 PHE 13 9.651 2.902 1.231 98 HD2 PHE 13 HD2 PHE 13 5.786 1.160 0.894 99 HE1 PHE 13 HE1 PHE 13 10.611 1.019 -0.028 100 HE2 PHE 13 HE2 PHE 13 6.735 -0.723 -0.359 101 HZ PHE 13 HZ PHE 13 9.152 -0.799 -0.825 102 H ILE 14 HN ILE 14 8.453 4.966 3.971 103 HA ILE 14 HA ILE 14 10.930 3.679 4.213 104 HB ILE 14 HB ILE 14 10.029 6.257 5.512 105 HG12 ILE 14 HG12 ILE 14 11.559 5.804 2.940 106 HG13 ILE 14 HG11 ILE 14 9.842 6.188 3.025 107 HG21 ILE 14 HG21 ILE 14 12.397 6.800 5.681 108 HG22 ILE 14 HG22 ILE 14 12.817 5.230 4.994 109 HG23 ILE 14 HG23 ILE 14 12.031 5.319 6.570 110 HD11 ILE 14 HD11 ILE 14 12.100 7.941 3.967 111 HD12 ILE 14 HD12 ILE 14 10.381 8.326 4.079 112 HD13 ILE 14 HD13 ILE 14 11.147 8.156 2.498 113 H LEU 15 HN LEU 15 8.429 4.345 6.596 114 HA LEU 15 HA LEU 15 9.943 3.699 8.885 115 HB2 LEU 15 HB2 LEU 15 8.112 4.981 9.378 116 HB3 LEU 15 HB1 LEU 15 7.096 4.181 8.197 117 HG LEU 15 HG LEU 15 7.037 2.208 9.734 118 HD11 LEU 15 HD11 LEU 15 8.983 2.711 11.096 119 HD12 LEU 15 HD12 LEU 15 7.540 2.618 12.104 120 HD13 LEU 15 HD13 LEU 15 8.215 4.189 11.677 121 HD21 LEU 15 HD21 LEU 15 5.898 4.799 10.764 122 HD22 LEU 15 HD22 LEU 15 5.322 3.181 11.166 123 HD23 LEU 15 HD23 LEU 15 5.186 3.780 9.513 124 H PHE 16 HN PHE 16 7.651 1.854 6.889 125 HA PHE 16 HA PHE 16 7.901 -0.504 8.497 126 HB2 PHE 16 HB2 PHE 16 6.570 0.075 5.863 127 HB3 PHE 16 HB1 PHE 16 6.654 -1.558 6.510 128 HD1 PHE 16 HD1 PHE 16 5.216 -2.265 8.260 129 HD2 PHE 16 HD2 PHE 16 5.350 1.837 7.124 130 HE1 PHE 16 HE1 PHE 16 3.227 -1.823 9.628 131 HE2 PHE 16 HE2 PHE 16 3.350 2.280 8.486 132 HZ PHE 16 HZ PHE 16 2.287 0.448 9.740 133 H SER 17 HN SER 17 9.523 0.725 5.660 134 HA SER 17 HA SER 17 10.708 -1.868 5.078 135 HB2 SER 17 HB2 SER 17 11.214 0.774 3.702 136 HB3 SER 17 HB1 SER 17 11.628 -0.832 3.103 137 HG SER 17 HG SER 17 9.067 0.316 3.435 138 H SER 18 HN SER 18 11.441 0.913 6.879 139 HA SER 18 HA SER 18 13.184 1.487 8.196 140 HB2 SER 18 HB2 SER 18 13.223 -0.941 8.778 141 HB3 SER 18 HB1 SER 18 14.386 -1.198 7.481 142 HG SER 18 HG SER 18 15.879 -0.593 8.808 143 H CYS 19 HN CYS 19 13.357 2.943 6.250 144 HA CYS 19 HA CYS 19 14.594 4.118 4.753 145 HB2 CYS 19 HB2 CYS 19 16.874 2.847 6.277 146 HB3 CYS 19 HB1 CYS 19 17.041 4.200 5.163 147 HG CYS 19 HG CYS 19 15.268 4.250 8.091 148 H SER 20 HN SER 20 13.590 2.026 3.507 149 HA SER 20 HA SER 20 15.726 1.221 1.694 150 HB2 SER 20 HB2 SER 20 15.468 -0.631 3.330 151 HB3 SER 20 HB1 SER 20 13.764 -0.751 2.900 152 HG SER 20 HG SER 20 16.013 -1.602 1.528 153 H ASP 21 HN ASP 21 14.870 0.353 -0.340 154 HA ASP 21 HA ASP 21 12.346 1.657 -1.057 155 HB2 ASP 21 HB2 ASP 21 13.067 1.406 -3.379 156 HB3 ASP 21 HB1 ASP 21 14.320 2.201 -2.436 157 H HIS 22 HN HIS 22 13.305 -1.229 0.040 158 HA HIS 22 HA HIS 22 11.235 -2.661 -1.483 159 HB2 HIS 22 HB2 HIS 22 13.904 -3.580 -0.481 160 HB3 HIS 22 HB1 HIS 22 12.586 -4.739 -0.626 161 HD1 HIS 22 HD1 HIS 22 15.383 -4.113 -2.417 162 HD2 HIS 22 HD2 HIS 22 11.373 -3.931 -3.482 163 HE1 HIS 22 HE1 HIS 22 15.333 -4.415 -4.910 164 HE2 HIS 22 HE2 HIS 22 12.883 -4.625 -5.463 165 H ILE 23 HN ILE 23 9.673 -3.686 -0.357 166 HA ILE 23 HA ILE 23 9.775 -3.393 2.571 167 HB ILE 23 HB ILE 23 8.065 -1.986 1.592 168 HG12 ILE 23 HG12 ILE 23 6.022 -3.012 2.705 169 HG13 ILE 23 HG11 ILE 23 7.036 -4.404 3.061 170 HG21 ILE 23 HG21 ILE 23 7.692 -3.179 -0.489 171 HG22 ILE 23 HG22 ILE 23 6.168 -2.904 0.355 172 HG23 ILE 23 HG23 ILE 23 6.920 -4.498 0.390 173 HD11 ILE 23 HD11 ILE 23 8.556 -2.947 4.305 174 HD12 ILE 23 HD12 ILE 23 6.920 -2.940 4.959 175 HD13 ILE 23 HD13 ILE 23 7.485 -1.584 3.983 176 H GLU 24 HN GLU 24 9.528 -5.135 3.812 177 HA GLU 24 HA GLU 24 9.294 -7.759 2.713 178 HB2 GLU 24 HB2 GLU 24 9.177 -6.733 5.552 179 HB3 GLU 24 HB1 GLU 24 9.162 -8.438 5.117 180 HG2 GLU 24 HG2 GLU 24 11.313 -8.183 4.057 181 HG3 GLU 24 HG1 GLU 24 11.358 -6.485 4.510 182 H MET 25 HN MET 25 7.597 -9.127 2.749 183 HA MET 25 HA MET 25 5.062 -8.066 2.331 184 HB2 MET 25 HB2 MET 25 6.060 -10.849 2.801 185 HB3 MET 25 HB1 MET 25 4.337 -10.535 2.647 186 HG2 MET 25 HG2 MET 25 6.400 -9.786 0.592 187 HG3 MET 25 HG1 MET 25 5.416 -11.247 0.545 188 HE1 MET 25 HE1 MET 25 5.560 -9.147 -1.856 189 HE2 MET 25 HE2 MET 25 3.857 -9.082 -2.310 190 HE3 MET 25 HE3 MET 25 4.595 -10.625 -1.883 191 H TYR 26 HN TYR 26 6.526 -9.225 5.312 192 HA TYR 26 HA TYR 26 4.011 -9.505 6.650 193 HB2 TYR 26 HB2 TYR 26 5.204 -10.260 8.458 194 HB3 TYR 26 HB1 TYR 26 6.319 -10.628 7.165 195 HD1 TYR 26 HD1 TYR 26 8.182 -8.886 6.718 196 HD2 TYR 26 HD2 TYR 26 5.907 -9.040 10.303 197 HE1 TYR 26 HE1 TYR 26 9.940 -7.625 7.879 198 HE2 TYR 26 HE2 TYR 26 7.658 -7.778 11.478 199 HH TYR 26 HH TYR 26 10.102 -7.348 11.238 200 H LYS 27 HN LYS 27 6.355 -6.946 6.254 201 HA LYS 27 HA LYS 27 4.945 -5.183 8.080 202 HB2 LYS 27 HB2 LYS 27 7.372 -4.899 6.335 203 HB3 LYS 27 HB1 LYS 27 6.594 -3.478 7.012 204 HG2 LYS 27 HG2 LYS 27 7.656 -5.784 8.626 205 HG3 LYS 27 HG1 LYS 27 8.516 -4.274 8.328 206 HD2 LYS 27 HD2 LYS 27 6.638 -3.054 9.400 207 HD3 LYS 27 HD1 LYS 27 5.903 -4.608 9.798 208 HE2 LYS 27 HE2 LYS 27 7.113 -3.758 11.711 209 HE3 LYS 27 HE1 LYS 27 7.918 -5.197 11.089 210 HZ1 LYS 27 HZ1 LYS 27 9.489 -3.441 11.642 211 HZ2 LYS 27 HZ2 LYS 27 8.745 -2.398 10.541 212 HZ3 LYS 27 HZ3 LYS 27 9.531 -3.790 9.988 213 H PHE 28 HN PHE 28 5.200 -5.842 4.680 214 HA PHE 28 HA PHE 28 4.111 -3.525 3.601 215 HB2 PHE 28 HB2 PHE 28 5.133 -5.082 2.124 216 HB3 PHE 28 HB1 PHE 28 4.066 -6.381 2.645 217 HD1 PHE 28 HD1 PHE 28 4.177 -3.188 0.786 218 HD2 PHE 28 HD2 PHE 28 2.002 -6.749 1.610 219 HE1 PHE 28 HE1 PHE 28 2.625 -2.657 -1.044 220 HE2 PHE 28 HE2 PHE 28 0.440 -6.231 -0.211 221 HZ PHE 28 HZ PHE 28 0.744 -4.179 -1.549 222 H PHE 29 HN PHE 29 2.468 -6.442 4.773 223 HA PHE 29 HA PHE 29 -0.073 -5.666 3.809 224 HB2 PHE 29 HB2 PHE 29 0.777 -7.995 4.633 225 HB3 PHE 29 HB1 PHE 29 0.242 -7.430 6.213 226 HD1 PHE 29 HD1 PHE 29 -0.776 -8.771 3.006 227 HD2 PHE 29 HD2 PHE 29 -2.147 -6.793 6.534 228 HE1 PHE 29 HE1 PHE 29 -3.086 -9.435 2.490 229 HE2 PHE 29 HE2 PHE 29 -4.453 -7.443 6.007 230 HZ PHE 29 HZ PHE 29 -4.928 -8.773 3.987 231 H GLU 30 HN GLU 30 1.622 -5.114 6.843 232 HA GLU 30 HA GLU 30 -0.480 -3.803 8.204 233 HB2 GLU 30 HB2 GLU 30 2.356 -2.966 8.550 234 HB3 GLU 30 HB1 GLU 30 1.114 -3.184 9.770 235 HG2 GLU 30 HG2 GLU 30 2.663 -5.312 8.333 236 HG3 GLU 30 HG1 GLU 30 2.790 -4.862 10.025 237 H LEU 31 HN LEU 31 1.931 -2.814 5.916 238 HA LEU 31 HA LEU 31 1.827 -0.048 6.215 239 HB2 LEU 31 HB2 LEU 31 3.655 -1.038 5.082 240 HB3 LEU 31 HB1 LEU 31 2.602 -1.841 3.938 241 HG LEU 31 HG LEU 31 2.004 0.476 3.072 242 HD11 LEU 31 HD11 LEU 31 4.447 1.198 4.677 243 HD12 LEU 31 HD12 LEU 31 2.805 1.781 4.953 244 HD13 LEU 31 HD13 LEU 31 3.664 2.227 3.479 245 HD21 LEU 31 HD21 LEU 31 3.985 0.576 1.672 246 HD22 LEU 31 HD22 LEU 31 3.468 -1.094 1.898 247 HD23 LEU 31 HD23 LEU 31 4.852 -0.470 2.796 248 H MET 32 HN MET 32 -0.160 -2.193 4.261 249 HA MET 32 HA MET 32 -1.376 0.174 3.058 250 HB2 MET 32 HB2 MET 32 -2.455 -1.701 1.537 251 HB3 MET 32 HB1 MET 32 -0.833 -1.089 1.248 252 HG2 MET 32 HG2 MET 32 -0.748 -3.420 1.039 253 HG3 MET 32 HG1 MET 32 0.004 -3.031 2.586 254 HE1 MET 32 HE1 MET 32 -2.074 -5.313 0.819 255 HE2 MET 32 HE2 MET 32 -2.539 -6.366 2.156 256 HE3 MET 32 HE3 MET 32 -0.843 -5.945 1.909 257 H ASN 33 HN ASN 33 -2.301 -2.596 5.040 258 HA ASN 33 HA ASN 33 -5.086 -2.118 4.726 259 HB2 ASN 33 HB2 ASN 33 -5.493 -3.734 6.326 260 HB3 ASN 33 HB1 ASN 33 -3.917 -4.239 5.727 261 HD21 ASN 33 HD21 ASN 33 -2.130 -4.035 7.053 262 HD22 ASN 33 HD22 ASN 33 -2.267 -3.721 8.751 263 H SER 34 HN SER 34 -2.615 -0.600 6.538 264 HA SER 34 HA SER 34 -4.207 0.408 8.667 265 HB2 SER 34 HB2 SER 34 -2.235 2.026 8.921 266 HB3 SER 34 HB1 SER 34 -1.899 0.304 9.098 267 HG SER 34 HG SER 34 -0.745 0.325 7.327 268 H PHE 35 HN PHE 35 -3.673 1.431 5.410 269 HA PHE 35 HA PHE 35 -4.738 4.090 5.920 270 HB2 PHE 35 HB2 PHE 35 -3.661 2.739 3.455 271 HB3 PHE 35 HB1 PHE 35 -4.471 4.301 3.381 272 HD1 PHE 35 HD1 PHE 35 -3.488 6.256 4.508 273 HD2 PHE 35 HD2 PHE 35 -1.436 2.537 4.269 274 HE1 PHE 35 HE1 PHE 35 -1.378 7.392 5.062 275 HE2 PHE 35 HE2 PHE 35 0.679 3.664 4.828 276 HZ PHE 35 HZ PHE 35 0.710 6.096 5.226 277 H GLY 36 HN GLY 36 -6.120 1.205 5.777 278 HA2 GLY 36 HA2 GLY 36 -8.420 0.794 5.696 279 HA3 GLY 36 HA1 GLY 36 -8.646 2.332 4.872 280 H ILE 37 HN ILE 37 -6.139 0.692 3.455 281 HA ILE 37 HA ILE 37 -7.772 -0.087 1.187 282 HB ILE 37 HB ILE 37 -4.775 -0.204 1.585 283 HG12 ILE 37 HG12 ILE 37 -6.432 1.769 -0.000 284 HG13 ILE 37 HG11 ILE 37 -5.762 2.090 1.595 285 HG21 ILE 37 HG21 ILE 37 -6.421 -0.566 -0.917 286 HG22 ILE 37 HG22 ILE 37 -5.522 -1.824 -0.068 287 HG23 ILE 37 HG23 ILE 37 -4.661 -0.497 -0.848 288 HD11 ILE 37 HD11 ILE 37 -4.411 3.071 -0.177 289 HD12 ILE 37 HD12 ILE 37 -4.167 1.470 -0.877 290 HD13 ILE 37 HD13 ILE 37 -3.517 1.842 0.720 291 H ILE 38 HN ILE 38 -8.435 -2.123 0.836 292 HA ILE 38 HA ILE 38 -7.266 -4.215 2.521 293 HB ILE 38 HB ILE 38 -9.354 -5.528 1.740 294 HG12 ILE 38 HG12 ILE 38 -10.254 -2.675 1.260 295 HG13 ILE 38 HG11 ILE 38 -10.110 -3.936 0.038 296 HG21 ILE 38 HG21 ILE 38 -8.911 -4.855 4.017 297 HG22 ILE 38 HG22 ILE 38 -10.618 -4.620 3.638 298 HG23 ILE 38 HG23 ILE 38 -9.526 -3.236 3.687 299 HD11 ILE 38 HD11 ILE 38 -11.875 -5.204 1.130 300 HD12 ILE 38 HD12 ILE 38 -12.423 -3.584 0.703 301 HD13 ILE 38 HD13 ILE 38 -12.008 -3.962 2.373 302 H LEU 39 HN LEU 39 -6.195 -5.806 1.729 303 HA LEU 39 HA LEU 39 -6.257 -6.405 -1.145 304 HB2 LEU 39 HB2 LEU 39 -4.342 -4.845 -0.436 305 HB3 LEU 39 HB1 LEU 39 -3.718 -6.198 0.476 306 HG LEU 39 HG LEU 39 -4.112 -6.262 -2.519 307 HD11 LEU 39 HD11 LEU 39 -1.578 -5.777 -0.960 308 HD12 LEU 39 HD12 LEU 39 -2.452 -4.554 -1.880 309 HD13 LEU 39 HD13 LEU 39 -1.721 -5.932 -2.711 310 HD21 LEU 39 HD21 LEU 39 -2.486 -7.992 -0.681 311 HD22 LEU 39 HD22 LEU 39 -2.641 -8.159 -2.434 312 HD23 LEU 39 HD23 LEU 39 -4.040 -8.436 -1.388 313 H THR 40 HN THR 40 -6.585 -8.584 -1.389 314 HA THR 40 HA THR 40 -6.651 -10.124 1.070 315 HB THR 40 HB THR 40 -7.653 -11.905 -0.517 316 HG1 THR 40 HG1 THR 40 -7.769 -11.324 -2.539 317 HG21 THR 40 HG21 THR 40 -8.964 -10.702 1.127 318 HG22 THR 40 HG22 THR 40 -9.863 -10.806 -0.387 319 HG23 THR 40 HG23 THR 40 -9.064 -9.299 0.062 320 H ASN 41 HN ASN 41 -6.071 -12.513 0.895 321 HA ASN 41 HA ASN 41 -3.316 -12.744 0.729 322 HB2 ASN 41 HB2 ASN 41 -4.715 -14.272 2.033 323 HB3 ASN 41 HB1 ASN 41 -5.382 -14.945 0.550 324 HD21 ASN 41 HD21 ASN 41 -2.587 -14.735 2.601 325 HD22 ASN 41 HD22 ASN 41 -1.721 -16.057 1.898 326 H ASP 42 HN ASP 42 -5.763 -13.784 -1.614 327 HA ASP 42 HA ASP 42 -4.026 -14.992 -3.442 328 HB2 ASP 42 HB2 ASP 42 -5.829 -14.926 -5.017 329 HB3 ASP 42 HB1 ASP 42 -6.540 -15.184 -3.430 330 H GLU 43 HN GLU 43 -5.012 -11.633 -3.075 331 HA GLU 43 HA GLU 43 -3.852 -10.750 -5.517 332 HB2 GLU 43 HB2 GLU 43 -4.610 -9.182 -3.060 333 HB3 GLU 43 HB1 GLU 43 -4.174 -8.482 -4.608 334 HG2 GLU 43 HG2 GLU 43 -6.105 -9.727 -5.602 335 HG3 GLU 43 HG1 GLU 43 -6.584 -10.146 -3.956 336 H LYS 44 HN LYS 44 -2.764 -10.600 -2.119 337 HA LYS 44 HA LYS 44 -0.405 -9.215 -2.642 338 HB2 LYS 44 HB2 LYS 44 0.441 -9.963 -0.498 339 HB3 LYS 44 HB1 LYS 44 -1.195 -9.353 -0.381 340 HG2 LYS 44 HG2 LYS 44 -2.073 -11.458 0.003 341 HG3 LYS 44 HG1 LYS 44 -0.637 -12.282 -0.610 342 HD2 LYS 44 HD2 LYS 44 -0.889 -10.705 1.952 343 HD3 LYS 44 HD1 LYS 44 -0.702 -12.451 1.800 344 HE2 LYS 44 HE2 LYS 44 1.462 -11.875 2.241 345 HE3 LYS 44 HE1 LYS 44 1.480 -11.748 0.484 346 HZ1 LYS 44 HZ1 LYS 44 2.492 -9.803 1.247 347 HZ2 LYS 44 HZ2 LYS 44 1.358 -9.570 2.481 348 HZ3 LYS 44 HZ3 LYS 44 0.916 -9.306 0.869 349 H ALA 45 HN ALA 45 -1.133 -12.616 -2.778 350 HA ALA 45 HA ALA 45 1.503 -13.562 -3.144 351 HB1 ALA 45 HB1 ALA 45 -0.373 -15.021 -2.555 352 HB2 ALA 45 HB2 ALA 45 0.459 -15.588 -4.002 353 HB3 ALA 45 HB3 ALA 45 -1.085 -14.747 -4.145 354 H ALA 46 HN ALA 46 -0.742 -11.978 -5.252 355 HA ALA 46 HA ALA 46 0.704 -12.757 -7.656 356 HB1 ALA 46 HB1 ALA 46 -1.719 -10.990 -7.346 357 HB2 ALA 46 HB2 ALA 46 -1.742 -12.718 -7.698 358 HB3 ALA 46 HB3 ALA 46 -1.053 -11.589 -8.864 359 H LEU 47 HN LEU 47 1.097 -10.460 -5.321 360 HA LEU 47 HA LEU 47 1.981 -8.293 -7.011 361 HB2 LEU 47 HB2 LEU 47 2.760 -8.705 -4.130 362 HB3 LEU 47 HB1 LEU 47 2.692 -7.200 -5.020 363 HG LEU 47 HG LEU 47 0.314 -8.827 -4.151 364 HD11 LEU 47 HD11 LEU 47 1.489 -6.272 -3.087 365 HD12 LEU 47 HD12 LEU 47 1.358 -7.823 -2.242 366 HD13 LEU 47 HD13 LEU 47 -0.095 -6.907 -2.641 367 HD21 LEU 47 HD21 LEU 47 0.342 -6.085 -5.362 368 HD22 LEU 47 HD22 LEU 47 -1.068 -7.038 -4.864 369 HD23 LEU 47 HD23 LEU 47 -0.076 -7.566 -6.228 370 HA PRO 48 HA PRO 48 6.078 -9.694 -7.964 371 HB2 PRO 48 HB2 PRO 48 7.109 -7.119 -6.891 372 HB3 PRO 48 HB1 PRO 48 7.341 -7.847 -8.483 373 HG2 PRO 48 HG2 PRO 48 5.702 -5.776 -8.167 374 HG3 PRO 48 HG1 PRO 48 5.294 -7.103 -9.273 375 HD2 PRO 48 HD2 PRO 48 4.240 -6.521 -6.537 376 HD3 PRO 48 HD1 PRO 48 3.391 -7.142 -7.968 377 H ASN 49 HN ASN 49 7.963 -10.487 -7.018 378 HA ASN 49 HA ASN 49 7.663 -11.404 -4.376 379 HB2 ASN 49 HB2 ASN 49 10.095 -11.415 -6.173 380 HB3 ASN 49 HB1 ASN 49 9.984 -12.290 -4.652 381 HD21 ASN 49 HD21 ASN 49 10.378 -13.241 -7.397 382 HD22 ASN 49 HD22 ASN 49 9.114 -14.391 -7.670 383 H ASP 50 HN ASP 50 9.445 -8.753 -5.755 384 HA ASP 50 HA ASP 50 9.926 -7.817 -3.020 385 HB2 ASP 50 HB2 ASP 50 11.923 -6.613 -3.797 386 HB3 ASP 50 HB1 ASP 50 12.086 -8.345 -4.046 387 H ILE 51 HN ILE 51 8.806 -6.084 -2.549 388 HA ILE 51 HA ILE 51 7.538 -4.634 -4.749 389 HB ILE 51 HB ILE 51 6.846 -4.672 -1.809 390 HG12 ILE 51 HG12 ILE 51 5.448 -5.878 -4.208 391 HG13 ILE 51 HG11 ILE 51 6.340 -6.774 -2.983 392 HG21 ILE 51 HG21 ILE 51 6.313 -2.519 -2.843 393 HG22 ILE 51 HG22 ILE 51 4.848 -3.416 -2.441 394 HG23 ILE 51 HG23 ILE 51 5.412 -3.351 -4.110 395 HD11 ILE 51 HD11 ILE 51 3.846 -5.161 -2.505 396 HD12 ILE 51 HD12 ILE 51 4.727 -6.098 -1.298 397 HD13 ILE 51 HD13 ILE 51 3.935 -6.916 -2.644 398 H ASN 52 HN ASN 52 8.368 -2.807 -5.342 399 HA ASN 52 HA ASN 52 10.162 -1.338 -3.595 400 HB2 ASN 52 HB2 ASN 52 10.847 -1.737 -5.913 401 HB3 ASN 52 HB1 ASN 52 9.399 -0.940 -6.501 402 HD21 ASN 52 HD21 ASN 52 12.531 -0.499 -5.041 403 HD22 ASN 52 HD22 ASN 52 12.627 1.203 -5.331 404 H MET 53 HN MET 53 9.885 1.050 -3.425 405 HA MET 53 HA MET 53 7.416 1.773 -2.399 406 HB2 MET 53 HB2 MET 53 9.495 2.986 -1.912 407 HB3 MET 53 HB1 MET 53 9.543 3.578 -3.568 408 HG2 MET 53 HG2 MET 53 7.399 4.731 -3.180 409 HG3 MET 53 HG1 MET 53 7.451 4.192 -1.505 410 HE1 MET 53 HE1 MET 53 10.595 6.070 -0.138 411 HE2 MET 53 HE2 MET 53 10.567 4.454 -0.840 412 HE3 MET 53 HE3 MET 53 9.274 4.969 0.244 413 H ASP 54 HN ASP 54 8.699 2.074 -5.661 414 HA ASP 54 HA ASP 54 6.749 3.814 -6.692 415 HB2 ASP 54 HB2 ASP 54 8.527 1.766 -8.002 416 HB3 ASP 54 HB1 ASP 54 7.393 2.740 -8.930 417 H TYR 55 HN TYR 55 6.783 0.287 -6.386 418 HA TYR 55 HA TYR 55 4.376 -0.157 -7.822 419 HB2 TYR 55 HB2 TYR 55 6.057 -1.948 -7.202 420 HB3 TYR 55 HB1 TYR 55 5.435 -1.858 -5.558 421 HD1 TYR 55 HD1 TYR 55 3.353 -2.909 -4.951 422 HD2 TYR 55 HD2 TYR 55 4.589 -2.767 -9.025 423 HE1 TYR 55 HE1 TYR 55 1.597 -4.499 -5.535 424 HE2 TYR 55 HE2 TYR 55 2.821 -4.366 -9.614 425 HH TYR 55 HH TYR 55 0.257 -5.088 -7.646 426 H TRP 56 HN TRP 56 5.111 0.384 -4.415 427 HA TRP 56 HA TRP 56 2.554 0.076 -3.361 428 HB2 TRP 56 HB2 TRP 56 4.495 0.185 -1.929 429 HB3 TRP 56 HB1 TRP 56 4.875 1.805 -2.485 430 HD1 TRP 56 HD1 TRP 56 4.686 3.108 -0.267 431 HE1 TRP 56 HE1 TRP 56 2.785 3.580 1.400 432 HE3 TRP 56 HE3 TRP 56 1.197 -0.154 -2.079 433 HZ2 TRP 56 HZ2 TRP 56 0.148 2.695 1.876 434 HZ3 TRP 56 HZ3 TRP 56 -0.995 -0.275 -0.964 435 HH2 TRP 56 HH2 TRP 56 -1.504 1.121 0.972 436 H LEU 57 HN LEU 57 4.194 2.991 -4.536 437 HA LEU 57 HA LEU 57 2.080 4.785 -4.048 438 HB2 LEU 57 HB2 LEU 57 4.142 4.966 -6.244 439 HB3 LEU 57 HB1 LEU 57 3.218 6.292 -5.560 440 HG LEU 57 HG LEU 57 5.232 4.640 -4.060 441 HD11 LEU 57 HD11 LEU 57 5.452 7.387 -5.273 442 HD12 LEU 57 HD12 LEU 57 6.361 5.946 -5.725 443 HD13 LEU 57 HD13 LEU 57 6.619 6.692 -4.149 444 HD21 LEU 57 HD21 LEU 57 3.648 7.095 -3.297 445 HD22 LEU 57 HD22 LEU 57 5.033 6.488 -2.385 446 HD23 LEU 57 HD23 LEU 57 3.585 5.497 -2.549 447 H ASN 58 HN ASN 58 2.995 3.007 -6.952 448 HA ASN 58 HA ASN 58 0.953 3.966 -8.633 449 HB2 ASN 58 HB2 ASN 58 2.886 2.855 -9.574 450 HB3 ASN 58 HB1 ASN 58 2.496 1.367 -8.720 451 HD21 ASN 58 HD21 ASN 58 1.633 3.469 -11.360 452 HD22 ASN 58 HD22 ASN 58 0.631 2.333 -12.190 453 H PHE 59 HN PHE 59 1.143 1.114 -6.562 454 HA PHE 59 HA PHE 59 -1.354 -0.003 -7.178 455 HB2 PHE 59 HB2 PHE 59 0.482 -1.125 -5.901 456 HB3 PHE 59 HB1 PHE 59 0.137 -0.074 -4.535 457 HD1 PHE 59 HD1 PHE 59 -0.480 -3.196 -6.012 458 HD2 PHE 59 HD2 PHE 59 -2.317 -0.194 -3.620 459 HE1 PHE 59 HE1 PHE 59 -2.082 -4.860 -5.162 460 HE2 PHE 59 HE2 PHE 59 -3.931 -1.846 -2.780 461 HZ PHE 59 HZ PHE 59 -3.815 -4.182 -3.553 462 H ALA 60 HN ALA 60 -0.353 2.358 -4.739 463 HA ALA 60 HA ALA 60 -2.915 2.567 -3.514 464 HB1 ALA 60 HB1 ALA 60 -0.606 4.501 -3.428 465 HB2 ALA 60 HB2 ALA 60 -0.829 3.120 -2.354 466 HB3 ALA 60 HB3 ALA 60 -1.977 4.458 -2.320 467 H LYS 61 HN LYS 61 -1.212 4.513 -5.946 468 HA LYS 61 HA LYS 61 -3.198 6.513 -6.100 469 HB2 LYS 61 HB2 LYS 61 -2.025 7.382 -7.967 470 HB3 LYS 61 HB1 LYS 61 -0.873 6.881 -6.742 471 HG2 LYS 61 HG2 LYS 61 0.130 6.003 -8.520 472 HG3 LYS 61 HG1 LYS 61 -0.933 4.653 -8.164 473 HD2 LYS 61 HD2 LYS 61 -1.121 5.064 -10.501 474 HD3 LYS 61 HD1 LYS 61 -2.595 5.657 -9.724 475 HE2 LYS 61 HE2 LYS 61 -1.739 7.206 -11.447 476 HE3 LYS 61 HE1 LYS 61 -1.798 7.933 -9.845 477 HZ1 LYS 61 HZ1 LYS 61 0.566 7.574 -9.619 478 HZ2 LYS 61 HZ2 LYS 61 0.253 8.462 -11.020 479 HZ3 LYS 61 HZ3 LYS 61 0.634 6.821 -11.130 480 H LYS 62 HN LYS 62 -2.861 3.434 -7.516 481 HA LYS 62 HA LYS 62 -4.740 3.754 -9.627 482 HB2 LYS 62 HB2 LYS 62 -3.099 2.001 -9.730 483 HB3 LYS 62 HB1 LYS 62 -3.612 1.360 -8.180 484 HG2 LYS 62 HG2 LYS 62 -5.681 0.591 -9.127 485 HG3 LYS 62 HG1 LYS 62 -5.295 1.349 -10.673 486 HD2 LYS 62 HD2 LYS 62 -4.855 -1.120 -10.592 487 HD3 LYS 62 HD1 LYS 62 -3.457 -0.139 -11.033 488 HE2 LYS 62 HE2 LYS 62 -2.679 -0.264 -8.688 489 HE3 LYS 62 HE1 LYS 62 -4.037 -1.320 -8.317 490 HZ1 LYS 62 HZ1 LYS 62 -1.924 -1.922 -10.309 491 HZ2 LYS 62 HZ2 LYS 62 -3.169 -2.958 -9.827 492 HZ3 LYS 62 HZ3 LYS 62 -1.953 -2.526 -8.732 493 H HIS 63 HN HIS 63 -4.956 3.133 -6.235 494 HA HIS 63 HA HIS 63 -7.643 2.128 -6.325 495 HB2 HIS 63 HB2 HIS 63 -5.767 2.819 -4.099 496 HB3 HIS 63 HB1 HIS 63 -7.481 2.568 -3.766 497 HD1 HIS 63 HD1 HIS 63 -7.737 0.259 -2.870 498 HD2 HIS 63 HD2 HIS 63 -5.031 0.434 -6.015 499 HE1 HIS 63 HE1 HIS 63 -7.054 -2.120 -3.310 500 HE2 HIS 63 HE2 HIS 63 -5.574 -1.999 -5.336 501 H TYR 64 HN TYR 64 -6.187 5.268 -6.075 502 HA TYR 64 HA TYR 64 -8.214 6.739 -4.820 503 HB2 TYR 64 HB2 TYR 64 -6.714 7.684 -7.252 504 HB3 TYR 64 HB1 TYR 64 -7.518 8.685 -6.062 505 HD1 TYR 64 HD1 TYR 64 -6.346 7.047 -3.661 506 HD2 TYR 64 HD2 TYR 64 -4.732 8.837 -7.140 507 HE1 TYR 64 HE1 TYR 64 -4.198 7.361 -2.479 508 HE2 TYR 64 HE2 TYR 64 -2.567 9.162 -5.991 509 HH TYR 64 HH TYR 64 -1.694 9.326 -3.743 510 H ASN 65 HN ASN 65 -7.819 5.703 -8.145 511 HA ASN 65 HA ASN 65 -10.029 7.262 -8.991 512 HB2 ASN 65 HB2 ASN 65 -8.230 5.339 -10.442 513 HB3 ASN 65 HB1 ASN 65 -9.621 6.076 -11.228 514 HD21 ASN 65 HD21 ASN 65 -8.268 7.088 -12.709 515 HD22 ASN 65 HD22 ASN 65 -7.329 8.477 -12.287 516 H TYR 66 HN TYR 66 -9.882 4.714 -7.298 517 HA TYR 66 HA TYR 66 -11.052 2.846 -6.808 518 HB2 TYR 66 HB2 TYR 66 -13.069 4.922 -7.503 519 HB3 TYR 66 HB1 TYR 66 -13.627 3.289 -7.141 520 HD1 TYR 66 HD1 TYR 66 -14.312 2.983 -4.972 521 HD2 TYR 66 HD2 TYR 66 -11.093 5.662 -5.720 522 HE1 TYR 66 HE1 TYR 66 -14.118 3.413 -2.561 523 HE2 TYR 66 HE2 TYR 66 -10.895 6.111 -3.315 524 HH TYR 66 HH TYR 66 -12.381 5.978 -1.277 525 H GLU 67 HN GLU 67 -9.856 2.232 -9.025 526 HA GLU 67 HA GLU 67 -11.396 1.401 -11.202 527 HB2 GLU 67 HB2 GLU 67 -8.938 0.111 -10.005 528 HB3 GLU 67 HB1 GLU 67 -9.591 -0.247 -11.598 529 HG2 GLU 67 HG2 GLU 67 -8.571 2.439 -10.700 530 HG3 GLU 67 HG1 GLU 67 -7.680 1.278 -11.682 531 H GLN 68 HN GLN 68 -10.786 -0.032 -8.081 532 HA GLN 68 HA GLN 68 -13.027 -1.871 -8.521 533 HB2 GLN 68 HB2 GLN 68 -10.832 -3.084 -8.685 534 HB3 GLN 68 HB1 GLN 68 -10.491 -2.588 -7.035 535 HG2 GLN 68 HG2 GLN 68 -11.284 -4.856 -7.055 536 HG3 GLN 68 HG1 GLN 68 -12.472 -3.818 -6.269 537 HE21 GLN 68 HE21 GLN 68 -12.053 -3.914 -9.734 538 HE22 GLN 68 HE22 GLN 68 -13.556 -4.691 -10.085 539 HA PRO 69 HA PRO 69 -13.942 0.988 -5.031 540 HB2 PRO 69 HB2 PRO 69 -16.536 -0.420 -5.476 541 HB3 PRO 69 HB1 PRO 69 -16.218 1.302 -5.232 542 HG2 PRO 69 HG2 PRO 69 -16.767 0.382 -7.654 543 HG3 PRO 69 HG1 PRO 69 -15.512 1.614 -7.426 544 HD2 PRO 69 HD2 PRO 69 -15.224 -1.315 -7.935 545 HD3 PRO 69 HD1 PRO 69 -14.244 0.037 -8.538 546 H PHE 70 HN PHE 70 -13.159 0.280 -3.148 547 HA PHE 70 HA PHE 70 -13.737 -2.462 -2.333 548 HB2 PHE 70 HB2 PHE 70 -11.796 -2.136 -0.779 549 HB3 PHE 70 HB1 PHE 70 -11.404 -2.055 -2.488 550 HD1 PHE 70 HD1 PHE 70 -10.906 0.126 -3.541 551 HD2 PHE 70 HD2 PHE 70 -11.459 -0.274 0.659 552 HE1 PHE 70 HE1 PHE 70 -9.811 2.301 -3.195 553 HE2 PHE 70 HE2 PHE 70 -10.368 1.903 1.012 554 HZ PHE 70 HZ PHE 70 -9.542 3.193 -0.915 555 H LYS 71 HN LYS 71 -15.408 0.099 -1.887 556 HA LYS 71 HA LYS 71 -15.574 0.116 1.005 557 HB2 LYS 71 HB2 LYS 71 -16.106 2.134 -0.419 558 HB3 LYS 71 HB1 LYS 71 -17.537 1.285 -0.979 559 HG2 LYS 71 HG2 LYS 71 -18.164 2.815 0.750 560 HG3 LYS 71 HG1 LYS 71 -18.339 1.168 1.356 561 HD2 LYS 71 HD2 LYS 71 -16.190 1.361 2.506 562 HD3 LYS 71 HD1 LYS 71 -16.004 3.005 1.892 563 HE2 LYS 71 HE2 LYS 71 -18.016 3.684 3.099 564 HE3 LYS 71 HE1 LYS 71 -18.215 2.038 3.699 565 HZ1 LYS 71 HZ1 LYS 71 -17.177 3.462 5.346 566 HZ2 LYS 71 HZ2 LYS 71 -15.913 3.821 4.282 567 HZ3 LYS 71 HZ3 LYS 71 -16.109 2.244 4.860 568 H HIS 72 HN HIS 72 -17.086 -1.345 -1.743 569 HA HIS 72 HA HIS 72 -18.339 -3.189 -2.020 570 HB2 HIS 72 HB2 HIS 72 -17.569 -3.616 0.856 571 HB3 HIS 72 HB1 HIS 72 -18.561 -4.770 -0.031 572 HD1 HIS 72 HD1 HIS 72 -15.068 -3.636 0.431 573 HD2 HIS 72 HD2 HIS 72 -17.197 -6.099 -2.154 574 HE1 HIS 72 HE1 HIS 72 -13.335 -4.959 -0.826 575 HE2 HIS 72 HE2 HIS 72 -14.644 -6.359 -2.467 576 H ILE 73 HN ILE 73 -19.334 -2.563 1.330 577 HA ILE 73 HA ILE 73 -21.925 -1.635 0.359 578 HB ILE 73 HB ILE 73 -23.190 -3.042 1.879 579 HG12 ILE 73 HG12 ILE 73 -21.318 -3.345 3.556 580 HG13 ILE 73 HG11 ILE 73 -22.283 -4.778 3.227 581 HG21 ILE 73 HG21 ILE 73 -22.945 -5.199 0.754 582 HG22 ILE 73 HG22 ILE 73 -21.396 -4.672 0.097 583 HG23 ILE 73 HG23 ILE 73 -22.882 -3.848 -0.377 584 HD11 ILE 73 HD11 ILE 73 -19.923 -5.312 3.415 585 HD12 ILE 73 HD12 ILE 73 -19.552 -4.193 2.103 586 HD13 ILE 73 HD13 ILE 73 -20.514 -5.637 1.785 587 H ASN 74 HN ASN 74 -23.179 -0.558 2.034 588 HA ASN 74 HA ASN 74 -21.481 0.686 4.057 589 HB2 ASN 74 HB2 ASN 74 -24.284 1.303 3.102 590 HB3 ASN 74 HB1 ASN 74 -23.512 2.146 4.437 591 HD21 ASN 74 HD21 ASN 74 -20.882 2.134 3.219 592 HD22 ASN 74 HD22 ASN 74 -20.936 3.297 1.938 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -5.955 14.638 -2.557 2 H2 MET 1 HT2 MET 1 -6.738 13.739 -3.751 3 H3 MET 1 HT3 MET 1 -6.918 15.418 -3.705 4 HA MET 1 HA MET 1 -5.420 14.803 -5.461 5 HB2 MET 1 HB2 MET 1 -5.051 16.900 -4.143 6 HB3 MET 1 HB1 MET 1 -3.910 16.019 -3.138 7 HG2 MET 1 HG2 MET 1 -2.803 17.373 -4.850 8 HG3 MET 1 HG1 MET 1 -2.460 15.653 -5.029 9 HE1 MET 1 HE1 MET 1 -2.039 18.002 -7.288 10 HE2 MET 1 HE2 MET 1 -2.522 17.094 -8.720 11 HE3 MET 1 HE3 MET 1 -1.525 16.327 -7.485 12 H ALA 2 HN ALA 2 -4.337 13.112 -6.189 13 HA ALA 2 HA ALA 2 -3.511 11.014 -4.485 14 HB1 ALA 2 HB1 ALA 2 -4.302 10.674 -6.791 15 HB2 ALA 2 HB2 ALA 2 -2.746 9.904 -6.486 16 HB3 ALA 2 HB3 ALA 2 -2.819 11.415 -7.390 17 H SER 3 HN SER 3 -1.766 13.635 -6.043 18 HA SER 3 HA SER 3 0.848 12.720 -5.533 19 HB2 SER 3 HB2 SER 3 0.329 14.568 -7.099 20 HB3 SER 3 HB1 SER 3 -0.134 15.581 -5.734 21 HG SER 3 HG SER 3 2.289 15.197 -6.756 22 H ASP 4 HN ASP 4 -1.448 14.556 -3.597 23 HA ASP 4 HA ASP 4 0.324 15.156 -1.469 24 HB2 ASP 4 HB2 ASP 4 -1.806 16.352 -1.751 25 HB3 ASP 4 HB1 ASP 4 -2.689 14.863 -1.433 26 H MET 5 HN MET 5 -1.859 12.491 -2.156 27 HA MET 5 HA MET 5 -1.483 11.187 0.327 28 HB2 MET 5 HB2 MET 5 -2.422 10.103 -2.326 29 HB3 MET 5 HB1 MET 5 -2.463 9.205 -0.815 30 HG2 MET 5 HG2 MET 5 -3.979 11.711 -1.490 31 HG3 MET 5 HG1 MET 5 -4.637 10.096 -1.238 32 HE1 MET 5 HE1 MET 5 -2.766 9.245 1.346 33 HE2 MET 5 HE2 MET 5 -4.476 8.839 1.203 34 HE3 MET 5 HE3 MET 5 -3.880 9.645 2.653 35 H GLU 6 HN GLU 6 0.183 10.933 -2.793 36 HA GLU 6 HA GLU 6 1.534 8.536 -2.180 37 HB2 GLU 6 HB2 GLU 6 2.826 8.858 -4.131 38 HB3 GLU 6 HB1 GLU 6 1.225 9.484 -4.474 39 HG2 GLU 6 HG2 GLU 6 2.048 11.760 -4.119 40 HG3 GLU 6 HG1 GLU 6 3.660 11.110 -3.811 41 H GLU 7 HN GLU 7 2.458 11.916 -1.668 42 HA GLU 7 HA GLU 7 5.071 11.365 -0.769 43 HB2 GLU 7 HB2 GLU 7 5.016 13.577 0.279 44 HB3 GLU 7 HB1 GLU 7 4.380 13.635 -1.358 45 HG2 GLU 7 HG2 GLU 7 2.088 13.522 -0.347 46 HG3 GLU 7 HG1 GLU 7 2.861 13.742 1.220 47 H LYS 8 HN LYS 8 1.950 11.384 0.846 48 HA LYS 8 HA LYS 8 2.900 10.946 3.477 49 HB2 LYS 8 HB2 LYS 8 0.273 9.934 2.380 50 HB3 LYS 8 HB1 LYS 8 0.655 10.359 4.035 51 HG2 LYS 8 HG2 LYS 8 0.422 12.256 1.746 52 HG3 LYS 8 HG1 LYS 8 -0.743 12.025 3.043 53 HD2 LYS 8 HD2 LYS 8 0.840 12.830 4.667 54 HD3 LYS 8 HD1 LYS 8 2.097 12.942 3.437 55 HE2 LYS 8 HE2 LYS 8 1.073 15.129 3.992 56 HE3 LYS 8 HE1 LYS 8 0.907 14.689 2.294 57 HZ1 LYS 8 HZ1 LYS 8 -1.114 15.632 3.493 58 HZ2 LYS 8 HZ2 LYS 8 -1.248 14.119 4.231 59 HZ3 LYS 8 HZ3 LYS 8 -1.344 14.254 2.543 60 H PHE 9 HN PHE 9 1.929 8.759 0.852 61 HA PHE 9 HA PHE 9 2.263 6.335 2.236 62 HB2 PHE 9 HB2 PHE 9 2.690 6.875 -0.713 63 HB3 PHE 9 HB1 PHE 9 2.505 5.286 0.013 64 HD1 PHE 9 HD1 PHE 9 0.878 6.732 -2.218 65 HD2 PHE 9 HD2 PHE 9 0.253 6.112 1.945 66 HE1 PHE 9 HE1 PHE 9 -1.553 6.883 -2.572 67 HE2 PHE 9 HE2 PHE 9 -2.176 6.257 1.605 68 HZ PHE 9 HZ PHE 9 -3.083 6.645 -0.649 69 H ARG 10 HN ARG 10 4.509 8.323 0.389 70 HA ARG 10 HA ARG 10 6.740 6.635 0.509 71 HB2 ARG 10 HB2 ARG 10 6.810 8.433 -1.025 72 HB3 ARG 10 HB1 ARG 10 6.446 9.614 0.225 73 HG2 ARG 10 HG2 ARG 10 8.622 9.444 1.146 74 HG3 ARG 10 HG1 ARG 10 8.993 8.019 0.173 75 HD2 ARG 10 HD2 ARG 10 8.389 10.734 -0.981 76 HD3 ARG 10 HD1 ARG 10 10.019 10.150 -0.648 77 HE ARG 10 HE ARG 10 8.914 8.198 -2.190 78 HH11 ARG 10 HH11 ARG 10 9.400 11.644 -2.570 79 HH12 ARG 10 HH12 ARG 10 9.523 11.565 -4.300 80 HH21 ARG 10 HH21 ARG 10 9.091 8.089 -4.465 81 HH22 ARG 10 HH22 ARG 10 9.349 9.540 -5.378 82 H GLU 11 HN GLU 11 5.706 9.222 2.677 83 HA GLU 11 HA GLU 11 7.910 9.094 4.420 84 HB2 GLU 11 HB2 GLU 11 6.408 10.997 4.413 85 HB3 GLU 11 HB1 GLU 11 5.069 9.983 4.930 86 HG2 GLU 11 HG2 GLU 11 6.234 9.550 7.041 87 HG3 GLU 11 HG1 GLU 11 7.544 10.608 6.521 88 H ALA 12 HN ALA 12 4.748 7.537 4.504 89 HA ALA 12 HA ALA 12 5.125 6.167 6.942 90 HB1 ALA 12 HB1 ALA 12 3.332 5.465 4.624 91 HB2 ALA 12 HB2 ALA 12 2.917 6.511 5.982 92 HB3 ALA 12 HB3 ALA 12 3.223 4.796 6.251 93 H PHE 13 HN PHE 13 5.822 5.331 3.586 94 HA PHE 13 HA PHE 13 6.538 2.658 3.954 95 HB2 PHE 13 HB2 PHE 13 6.312 3.790 1.731 96 HB3 PHE 13 HB1 PHE 13 7.842 4.605 2.035 97 HD1 PHE 13 HD1 PHE 13 6.260 1.330 1.452 98 HD2 PHE 13 HD2 PHE 13 9.922 3.482 1.702 99 HE1 PHE 13 HE1 PHE 13 7.453 -0.597 0.493 100 HE2 PHE 13 HE2 PHE 13 11.118 1.555 0.741 101 HZ PHE 13 HZ PHE 13 9.881 -0.483 0.135 102 H ILE 14 HN ILE 14 8.487 5.617 4.201 103 HA ILE 14 HA ILE 14 10.934 4.364 4.789 104 HB ILE 14 HB ILE 14 9.997 7.109 5.627 105 HG12 ILE 14 HG12 ILE 14 11.690 6.245 3.268 106 HG13 ILE 14 HG11 ILE 14 9.985 6.676 3.170 107 HG21 ILE 14 HG21 ILE 14 12.335 7.628 5.963 108 HG22 ILE 14 HG22 ILE 14 12.801 6.008 5.445 109 HG23 ILE 14 HG23 ILE 14 11.900 6.225 6.946 110 HD11 ILE 14 HD11 ILE 14 12.220 8.504 4.019 111 HD12 ILE 14 HD12 ILE 14 10.513 8.936 3.907 112 HD13 ILE 14 HD13 ILE 14 11.410 8.504 2.452 113 H LEU 15 HN LEU 15 8.357 5.549 6.917 114 HA LEU 15 HA LEU 15 9.598 5.098 9.371 115 HB2 LEU 15 HB2 LEU 15 6.682 4.779 8.661 116 HB3 LEU 15 HB1 LEU 15 7.318 4.882 10.291 117 HG LEU 15 HG LEU 15 7.510 7.072 8.224 118 HD11 LEU 15 HD11 LEU 15 5.212 6.717 8.966 119 HD12 LEU 15 HD12 LEU 15 5.858 8.231 9.597 120 HD13 LEU 15 HD13 LEU 15 5.733 6.820 10.647 121 HD21 LEU 15 HD21 LEU 15 9.363 7.106 9.799 122 HD22 LEU 15 HD22 LEU 15 8.233 7.021 11.150 123 HD23 LEU 15 HD23 LEU 15 8.260 8.444 10.112 124 H PHE 16 HN PHE 16 7.785 2.916 7.293 125 HA PHE 16 HA PHE 16 8.160 0.641 8.996 126 HB2 PHE 16 HB2 PHE 16 7.078 1.042 6.231 127 HB3 PHE 16 HB1 PHE 16 7.451 -0.581 6.798 128 HD1 PHE 16 HD1 PHE 16 5.516 2.460 7.744 129 HD2 PHE 16 HD2 PHE 16 5.860 -1.777 7.964 130 HE1 PHE 16 HE1 PHE 16 3.310 2.338 8.821 131 HE2 PHE 16 HE2 PHE 16 3.648 -1.905 9.043 132 HZ PHE 16 HZ PHE 16 2.375 0.158 9.473 133 H SER 17 HN SER 17 10.162 2.270 6.766 134 HA SER 17 HA SER 17 11.563 -0.192 6.018 135 HB2 SER 17 HB2 SER 17 11.409 2.442 4.571 136 HB3 SER 17 HB1 SER 17 12.415 1.089 4.061 137 HG SER 17 HG SER 17 9.591 1.196 4.263 138 H SER 18 HN SER 18 12.031 1.886 8.327 139 HA SER 18 HA SER 18 14.432 3.136 8.136 140 HB2 SER 18 HB2 SER 18 12.909 3.129 10.109 141 HB3 SER 18 HB1 SER 18 13.558 1.553 10.553 142 HG SER 18 HG SER 18 15.689 2.756 10.407 143 H CYS 19 HN CYS 19 14.079 -0.385 8.204 144 HA CYS 19 HA CYS 19 17.022 -0.578 8.359 145 HB2 CYS 19 HB2 CYS 19 16.769 -2.739 9.527 146 HB3 CYS 19 HB1 CYS 19 16.075 -1.406 10.438 147 HG CYS 19 HG CYS 19 13.552 -2.366 8.835 148 H SER 20 HN SER 20 16.680 -3.595 7.969 149 HA SER 20 HA SER 20 16.749 -3.649 5.103 150 HB2 SER 20 HB2 SER 20 17.939 -5.228 6.777 151 HB3 SER 20 HB1 SER 20 16.400 -6.076 6.825 152 HG SER 20 HG SER 20 17.992 -5.587 4.528 153 H ASP 21 HN ASP 21 14.752 -2.715 4.720 154 HA ASP 21 HA ASP 21 12.398 -4.205 5.527 155 HB2 ASP 21 HB2 ASP 21 12.876 -1.297 5.303 156 HB3 ASP 21 HB1 ASP 21 11.235 -1.941 5.173 157 H HIS 22 HN HIS 22 13.903 -4.625 3.015 158 HA HIS 22 HA HIS 22 12.084 -3.538 1.045 159 HB2 HIS 22 HB2 HIS 22 14.579 -4.202 0.673 160 HB3 HIS 22 HB1 HIS 22 13.971 -5.856 0.567 161 HD1 HIS 22 HD1 HIS 22 14.713 -5.873 -1.970 162 HD2 HIS 22 HD2 HIS 22 11.741 -3.160 -0.941 163 HE1 HIS 22 HE1 HIS 22 13.720 -5.120 -4.159 164 HE2 HIS 22 HE2 HIS 22 11.825 -3.589 -3.514 165 H ILE 23 HN ILE 23 10.295 -4.769 0.116 166 HA ILE 23 HA ILE 23 9.456 -6.037 2.599 167 HB ILE 23 HB ILE 23 8.709 -3.704 1.738 168 HG12 ILE 23 HG12 ILE 23 6.602 -5.490 2.913 169 HG13 ILE 23 HG11 ILE 23 8.026 -4.980 3.817 170 HG21 ILE 23 HG21 ILE 23 6.490 -3.734 0.661 171 HG22 ILE 23 HG22 ILE 23 6.668 -5.473 0.417 172 HG23 ILE 23 HG23 ILE 23 7.774 -4.354 -0.379 173 HD11 ILE 23 HD11 ILE 23 7.392 -2.653 3.545 174 HD12 ILE 23 HD12 ILE 23 6.089 -3.575 4.298 175 HD13 ILE 23 HD13 ILE 23 5.988 -3.134 2.592 176 H GLU 24 HN GLU 24 8.688 -7.848 2.748 177 HA GLU 24 HA GLU 24 7.856 -9.505 0.549 178 HB2 GLU 24 HB2 GLU 24 7.827 -9.944 3.540 179 HB3 GLU 24 HB1 GLU 24 7.519 -11.179 2.324 180 HG2 GLU 24 HG2 GLU 24 9.700 -11.069 1.536 181 HG3 GLU 24 HG1 GLU 24 10.072 -9.627 2.459 182 H MET 25 HN MET 25 5.752 -10.708 0.757 183 HA MET 25 HA MET 25 3.566 -9.026 0.709 184 HB2 MET 25 HB2 MET 25 3.863 -11.978 1.034 185 HB3 MET 25 HB1 MET 25 2.279 -11.257 1.263 186 HG2 MET 25 HG2 MET 25 2.567 -12.079 -1.000 187 HG3 MET 25 HG1 MET 25 2.348 -10.332 -0.971 188 HE1 MET 25 HE1 MET 25 4.676 -10.635 -4.011 189 HE2 MET 25 HE2 MET 25 3.181 -9.972 -3.348 190 HE3 MET 25 HE3 MET 25 3.355 -11.714 -3.563 191 H TYR 26 HN TYR 26 4.915 -10.805 3.464 192 HA TYR 26 HA TYR 26 2.568 -10.370 5.057 193 HB2 TYR 26 HB2 TYR 26 3.524 -11.756 6.601 194 HB3 TYR 26 HB1 TYR 26 4.359 -12.280 5.158 195 HD1 TYR 26 HD1 TYR 26 4.681 -10.837 8.440 196 HD2 TYR 26 HD2 TYR 26 6.736 -11.539 4.785 197 HE1 TYR 26 HE1 TYR 26 6.819 -10.462 9.583 198 HE2 TYR 26 HE2 TYR 26 8.885 -11.162 5.920 199 HH TYR 26 HH TYR 26 9.209 -11.121 9.267 200 H LYS 27 HN LYS 27 5.669 -8.787 4.710 201 HA LYS 27 HA LYS 27 5.229 -7.018 6.971 202 HB2 LYS 27 HB2 LYS 27 7.423 -7.736 5.221 203 HB3 LYS 27 HB1 LYS 27 7.292 -5.992 5.390 204 HG2 LYS 27 HG2 LYS 27 7.249 -7.767 7.793 205 HG3 LYS 27 HG1 LYS 27 8.771 -7.295 7.037 206 HD2 LYS 27 HD2 LYS 27 6.692 -5.281 7.849 207 HD3 LYS 27 HD1 LYS 27 7.936 -5.851 8.960 208 HE2 LYS 27 HE2 LYS 27 9.648 -5.152 7.278 209 HE3 LYS 27 HE1 LYS 27 8.348 -4.438 6.328 210 HZ1 LYS 27 HZ1 LYS 27 7.883 -2.910 8.086 211 HZ2 LYS 27 HZ2 LYS 27 9.547 -2.838 7.766 212 HZ3 LYS 27 HZ3 LYS 27 8.977 -3.672 9.124 213 H PHE 28 HN PHE 28 4.446 -7.189 3.699 214 HA PHE 28 HA PHE 28 4.342 -4.382 3.140 215 HB2 PHE 28 HB2 PHE 28 4.826 -5.882 1.347 216 HB3 PHE 28 HB1 PHE 28 3.398 -6.847 1.686 217 HD1 PHE 28 HD1 PHE 28 1.405 -6.424 0.621 218 HD2 PHE 28 HD2 PHE 28 4.494 -3.510 0.528 219 HE1 PHE 28 HE1 PHE 28 0.129 -5.149 -1.030 220 HE2 PHE 28 HE2 PHE 28 3.241 -2.216 -1.130 221 HZ PHE 28 HZ PHE 28 1.039 -3.028 -1.922 222 H PHE 29 HN PHE 29 2.039 -6.861 4.103 223 HA PHE 29 HA PHE 29 -0.249 -5.320 3.447 224 HB2 PHE 29 HB2 PHE 29 -0.042 -7.877 3.791 225 HB3 PHE 29 HB1 PHE 29 -0.298 -7.505 5.495 226 HD1 PHE 29 HD1 PHE 29 -1.802 -7.442 2.130 227 HD2 PHE 29 HD2 PHE 29 -2.424 -6.780 6.301 228 HE1 PHE 29 HE1 PHE 29 -4.234 -7.361 1.763 229 HE2 PHE 29 HE2 PHE 29 -4.848 -6.689 5.929 230 HZ PHE 29 HZ PHE 29 -5.758 -6.984 3.659 231 H GLU 30 HN GLU 30 1.689 -5.654 6.371 232 HA GLU 30 HA GLU 30 -0.061 -4.196 8.045 233 HB2 GLU 30 HB2 GLU 30 1.927 -3.864 9.507 234 HB3 GLU 30 HB1 GLU 30 1.565 -5.534 9.118 235 HG2 GLU 30 HG2 GLU 30 3.356 -5.527 7.456 236 HG3 GLU 30 HG1 GLU 30 3.724 -3.852 7.875 237 H LEU 31 HN LEU 31 2.362 -3.251 5.760 238 HA LEU 31 HA LEU 31 2.557 -0.534 6.500 239 HB2 LEU 31 HB2 LEU 31 4.273 -1.424 5.149 240 HB3 LEU 31 HB1 LEU 31 3.133 -2.058 3.979 241 HG LEU 31 HG LEU 31 2.585 0.317 3.356 242 HD11 LEU 31 HD11 LEU 31 3.368 1.417 5.381 243 HD12 LEU 31 HD12 LEU 31 4.192 2.051 3.956 244 HD13 LEU 31 HD13 LEU 31 5.023 0.918 5.023 245 HD21 LEU 31 HD21 LEU 31 4.524 0.574 1.954 246 HD22 LEU 31 HD22 LEU 31 4.096 -1.133 2.057 247 HD23 LEU 31 HD23 LEU 31 5.458 -0.506 2.987 248 H MET 32 HN MET 32 0.211 -2.299 4.641 249 HA MET 32 HA MET 32 -0.831 0.211 3.555 250 HB2 MET 32 HB2 MET 32 -2.106 -1.130 1.976 251 HB3 MET 32 HB1 MET 32 -0.398 -1.535 1.917 252 HG2 MET 32 HG2 MET 32 -0.712 -3.613 2.759 253 HG3 MET 32 HG1 MET 32 -2.136 -3.151 3.688 254 HE1 MET 32 HE1 MET 32 -1.569 -2.217 -0.022 255 HE2 MET 32 HE2 MET 32 -2.313 -3.558 -0.893 256 HE3 MET 32 HE3 MET 32 -0.810 -3.810 -0.003 257 H ASN 33 HN ASN 33 -1.806 -2.385 5.720 258 HA ASN 33 HA ASN 33 -4.568 -1.775 5.645 259 HB2 ASN 33 HB2 ASN 33 -4.882 -3.198 7.469 260 HB3 ASN 33 HB1 ASN 33 -3.465 -3.871 6.679 261 HD21 ASN 33 HD21 ASN 33 -1.534 -3.824 7.702 262 HD22 ASN 33 HD22 ASN 33 -1.330 -3.346 9.352 263 H SER 34 HN SER 34 -1.881 -0.236 7.096 264 HA SER 34 HA SER 34 -3.196 1.142 9.194 265 HB2 SER 34 HB2 SER 34 -1.201 2.704 8.975 266 HB3 SER 34 HB1 SER 34 -0.813 1.005 9.246 267 HG SER 34 HG SER 34 0.276 2.302 7.450 268 H PHE 35 HN PHE 35 -2.903 1.660 5.775 269 HA PHE 35 HA PHE 35 -4.057 4.331 5.924 270 HB2 PHE 35 HB2 PHE 35 -2.935 2.650 3.704 271 HB3 PHE 35 HB1 PHE 35 -3.872 4.100 3.356 272 HD1 PHE 35 HD1 PHE 35 -0.689 2.772 4.406 273 HD2 PHE 35 HD2 PHE 35 -3.043 6.305 4.136 274 HE1 PHE 35 HE1 PHE 35 1.337 4.139 4.673 275 HE2 PHE 35 HE2 PHE 35 -1.024 7.681 4.401 276 HZ PHE 35 HZ PHE 35 1.172 6.599 4.669 277 H GLY 36 HN GLY 36 -5.192 1.226 5.935 278 HA2 GLY 36 HA2 GLY 36 -7.375 0.459 5.784 279 HA3 GLY 36 HA1 GLY 36 -7.861 2.050 5.218 280 H ILE 37 HN ILE 37 -5.243 0.399 3.677 281 HA ILE 37 HA ILE 37 -6.509 0.539 1.131 282 HB ILE 37 HB ILE 37 -4.011 -0.957 1.940 283 HG12 ILE 37 HG12 ILE 37 -3.920 1.480 2.411 284 HG13 ILE 37 HG11 ILE 37 -2.764 0.977 1.183 285 HG21 ILE 37 HG21 ILE 37 -3.409 -0.832 -0.431 286 HG22 ILE 37 HG22 ILE 37 -4.979 -0.108 -0.784 287 HG23 ILE 37 HG23 ILE 37 -4.885 -1.760 -0.171 288 HD11 ILE 37 HD11 ILE 37 -5.401 2.336 0.690 289 HD12 ILE 37 HD12 ILE 37 -4.268 1.810 -0.556 290 HD13 ILE 37 HD13 ILE 37 -3.804 3.075 0.585 291 H ILE 38 HN ILE 38 -7.606 -1.001 0.007 292 HA ILE 38 HA ILE 38 -8.109 -3.540 1.321 293 HB ILE 38 HB ILE 38 -9.416 -2.206 -1.050 294 HG12 ILE 38 HG12 ILE 38 -10.434 -2.752 1.746 295 HG13 ILE 38 HG11 ILE 38 -9.917 -1.184 1.138 296 HG21 ILE 38 HG21 ILE 38 -11.055 -4.014 -0.957 297 HG22 ILE 38 HG22 ILE 38 -10.096 -4.810 0.290 298 HG23 ILE 38 HG23 ILE 38 -9.437 -4.602 -1.332 299 HD11 ILE 38 HD11 ILE 38 -12.330 -1.356 1.152 300 HD12 ILE 38 HD12 ILE 38 -12.252 -2.793 0.134 301 HD13 ILE 38 HD13 ILE 38 -11.731 -1.233 -0.501 302 H LEU 39 HN LEU 39 -6.842 -5.159 0.814 303 HA LEU 39 HA LEU 39 -6.117 -5.602 -1.995 304 HB2 LEU 39 HB2 LEU 39 -4.157 -4.675 -0.899 305 HB3 LEU 39 HB1 LEU 39 -4.300 -5.832 0.406 306 HG LEU 39 HG LEU 39 -3.848 -7.652 -1.264 307 HD11 LEU 39 HD11 LEU 39 -4.492 -6.342 -3.260 308 HD12 LEU 39 HD12 LEU 39 -2.900 -7.093 -3.384 309 HD13 LEU 39 HD13 LEU 39 -3.036 -5.370 -3.039 310 HD21 LEU 39 HD21 LEU 39 -1.418 -7.076 -1.475 311 HD22 LEU 39 HD22 LEU 39 -2.083 -6.976 0.156 312 HD23 LEU 39 HD23 LEU 39 -1.811 -5.505 -0.774 313 H THR 40 HN THR 40 -6.919 -7.533 -2.598 314 HA THR 40 HA THR 40 -7.687 -9.420 -0.525 315 HB THR 40 HB THR 40 -8.649 -10.733 -2.459 316 HG1 THR 40 HG1 THR 40 -8.042 -8.309 -3.855 317 HG21 THR 40 HG21 THR 40 -9.629 -7.921 -2.009 318 HG22 THR 40 HG22 THR 40 -10.000 -9.329 -1.014 319 HG23 THR 40 HG23 THR 40 -10.578 -9.249 -2.678 320 H ASN 41 HN ASN 41 -7.374 -11.809 -1.074 321 HA ASN 41 HA ASN 41 -4.604 -12.324 -0.949 322 HB2 ASN 41 HB2 ASN 41 -6.937 -14.188 -1.405 323 HB3 ASN 41 HB1 ASN 41 -5.281 -14.741 -1.172 324 HD21 ASN 41 HD21 ASN 41 -4.320 -14.521 0.847 325 HD22 ASN 41 HD22 ASN 41 -5.242 -14.211 2.275 326 H ASP 42 HN ASP 42 -6.947 -12.716 -3.564 327 HA ASP 42 HA ASP 42 -5.235 -13.937 -5.417 328 HB2 ASP 42 HB2 ASP 42 -7.719 -12.275 -5.740 329 HB3 ASP 42 HB1 ASP 42 -6.835 -12.874 -7.140 330 H GLU 43 HN GLU 43 -5.797 -10.545 -4.670 331 HA GLU 43 HA GLU 43 -4.187 -9.495 -6.753 332 HB2 GLU 43 HB2 GLU 43 -4.974 -8.331 -4.085 333 HB3 GLU 43 HB1 GLU 43 -4.133 -7.435 -5.342 334 HG2 GLU 43 HG2 GLU 43 -6.010 -7.674 -6.827 335 HG3 GLU 43 HG1 GLU 43 -6.841 -8.697 -5.656 336 H LYS 44 HN LYS 44 -3.523 -10.256 -3.345 337 HA LYS 44 HA LYS 44 -0.854 -9.495 -3.251 338 HB2 LYS 44 HB2 LYS 44 -2.211 -11.776 -1.816 339 HB3 LYS 44 HB1 LYS 44 -0.599 -11.184 -1.436 340 HG2 LYS 44 HG2 LYS 44 -1.789 -8.898 -1.198 341 HG3 LYS 44 HG1 LYS 44 -3.243 -9.866 -1.013 342 HD2 LYS 44 HD2 LYS 44 -2.428 -9.449 1.171 343 HD3 LYS 44 HD1 LYS 44 -2.042 -11.131 0.803 344 HE2 LYS 44 HE2 LYS 44 -0.179 -9.958 1.903 345 HE3 LYS 44 HE1 LYS 44 0.248 -10.528 0.294 346 HZ1 LYS 44 HZ1 LYS 44 -0.067 -8.305 -0.558 347 HZ2 LYS 44 HZ2 LYS 44 1.043 -8.277 0.718 348 HZ3 LYS 44 HZ3 LYS 44 -0.545 -7.745 0.966 349 H ALA 45 HN ALA 45 -2.297 -12.439 -4.496 350 HA ALA 45 HA ALA 45 0.179 -13.747 -5.044 351 HB1 ALA 45 HB1 ALA 45 -1.902 -14.993 -4.788 352 HB2 ALA 45 HB2 ALA 45 -1.170 -15.298 -6.362 353 HB3 ALA 45 HB3 ALA 45 -2.554 -14.215 -6.228 354 H ALA 46 HN ALA 46 -1.456 -11.157 -6.486 355 HA ALA 46 HA ALA 46 -0.252 -11.628 -9.120 356 HB1 ALA 46 HB1 ALA 46 -2.257 -9.542 -8.273 357 HB2 ALA 46 HB2 ALA 46 -2.634 -11.064 -9.079 358 HB3 ALA 46 HB3 ALA 46 -1.691 -9.833 -9.919 359 H LEU 47 HN LEU 47 0.322 -9.971 -6.247 360 HA LEU 47 HA LEU 47 1.695 -7.702 -7.361 361 HB2 LEU 47 HB2 LEU 47 2.008 -8.810 -4.573 362 HB3 LEU 47 HB1 LEU 47 2.351 -7.185 -5.115 363 HG LEU 47 HG LEU 47 -0.341 -8.448 -4.669 364 HD11 LEU 47 HD11 LEU 47 -0.604 -6.515 -3.160 365 HD12 LEU 47 HD12 LEU 47 1.073 -6.078 -3.483 366 HD13 LEU 47 HD13 LEU 47 0.698 -7.608 -2.687 367 HD21 LEU 47 HD21 LEU 47 0.176 -5.726 -5.842 368 HD22 LEU 47 HD22 LEU 47 -1.391 -6.470 -5.493 369 HD23 LEU 47 HD23 LEU 47 -0.362 -7.131 -6.764 370 HA PRO 48 HA PRO 48 5.682 -9.572 -8.051 371 HB2 PRO 48 HB2 PRO 48 7.322 -7.527 -7.242 372 HB3 PRO 48 HB1 PRO 48 6.506 -7.574 -8.808 373 HG2 PRO 48 HG2 PRO 48 5.739 -6.117 -6.315 374 HG3 PRO 48 HG1 PRO 48 5.669 -5.569 -7.999 375 HD2 PRO 48 HD2 PRO 48 3.477 -6.409 -6.680 376 HD3 PRO 48 HD1 PRO 48 3.697 -6.697 -8.415 377 H ASN 49 HN ASN 49 7.337 -10.574 -6.946 378 HA ASN 49 HA ASN 49 6.683 -11.432 -4.350 379 HB2 ASN 49 HB2 ASN 49 7.845 -12.890 -5.896 380 HB3 ASN 49 HB1 ASN 49 9.216 -11.787 -5.967 381 HD21 ASN 49 HD21 ASN 49 10.715 -11.794 -4.340 382 HD22 ASN 49 HD22 ASN 49 10.735 -12.977 -3.079 383 H ASP 50 HN ASP 50 8.902 -9.015 -5.525 384 HA ASP 50 HA ASP 50 9.368 -8.232 -2.732 385 HB2 ASP 50 HB2 ASP 50 11.553 -7.341 -3.353 386 HB3 ASP 50 HB1 ASP 50 11.465 -9.049 -3.765 387 H ILE 51 HN ILE 51 8.394 -6.407 -2.263 388 HA ILE 51 HA ILE 51 7.725 -4.569 -4.454 389 HB ILE 51 HB ILE 51 6.465 -4.925 -1.733 390 HG12 ILE 51 HG12 ILE 51 5.356 -5.373 -4.508 391 HG13 ILE 51 HG11 ILE 51 5.968 -6.647 -3.461 392 HG21 ILE 51 HG21 ILE 51 4.809 -3.261 -2.452 393 HG22 ILE 51 HG22 ILE 51 5.759 -2.959 -3.905 394 HG23 ILE 51 HG23 ILE 51 6.426 -2.571 -2.320 395 HD11 ILE 51 HD11 ILE 51 3.606 -4.871 -2.899 396 HD12 ILE 51 HD12 ILE 51 4.221 -6.135 -1.834 397 HD13 ILE 51 HD13 ILE 51 3.552 -6.557 -3.410 398 H ASN 52 HN ASN 52 8.403 -2.486 -4.445 399 HA ASN 52 HA ASN 52 9.853 -1.527 -2.067 400 HB2 ASN 52 HB2 ASN 52 11.313 -1.943 -4.091 401 HB3 ASN 52 HB1 ASN 52 10.402 -0.698 -4.932 402 HD21 ASN 52 HD21 ASN 52 12.249 0.555 -5.205 403 HD22 ASN 52 HD22 ASN 52 12.958 1.441 -3.897 404 H MET 53 HN MET 53 9.996 1.096 -2.403 405 HA MET 53 HA MET 53 7.453 2.058 -1.869 406 HB2 MET 53 HB2 MET 53 9.574 3.195 -1.267 407 HB3 MET 53 HB1 MET 53 9.788 3.638 -2.956 408 HG2 MET 53 HG2 MET 53 7.614 4.850 -2.832 409 HG3 MET 53 HG1 MET 53 7.603 4.524 -1.101 410 HE1 MET 53 HE1 MET 53 10.789 6.485 0.093 411 HE2 MET 53 HE2 MET 53 10.741 4.799 -0.427 412 HE3 MET 53 HE3 MET 53 9.448 5.448 0.581 413 H ASP 54 HN ASP 54 9.131 1.747 -4.925 414 HA ASP 54 HA ASP 54 7.671 3.554 -6.469 415 HB2 ASP 54 HB2 ASP 54 9.749 2.443 -7.221 416 HB3 ASP 54 HB1 ASP 54 8.870 0.926 -7.370 417 H TYR 55 HN TYR 55 7.092 0.058 -5.973 418 HA TYR 55 HA TYR 55 4.657 0.143 -7.480 419 HB2 TYR 55 HB2 TYR 55 6.025 -1.934 -7.276 420 HB3 TYR 55 HB1 TYR 55 5.572 -2.023 -5.578 421 HD1 TYR 55 HD1 TYR 55 3.566 -3.075 -4.932 422 HD2 TYR 55 HD2 TYR 55 4.151 -1.986 -9.003 423 HE1 TYR 55 HE1 TYR 55 1.510 -4.252 -5.534 424 HE2 TYR 55 HE2 TYR 55 2.091 -3.171 -9.618 425 HH TYR 55 HH TYR 55 0.661 -4.964 -8.745 426 H TRP 56 HN TRP 56 5.532 0.474 -4.118 427 HA TRP 56 HA TRP 56 3.070 0.121 -2.899 428 HB2 TRP 56 HB2 TRP 56 5.064 0.354 -1.584 429 HB3 TRP 56 HB1 TRP 56 5.382 1.950 -2.240 430 HD1 TRP 56 HD1 TRP 56 5.232 3.460 -0.169 431 HE1 TRP 56 HE1 TRP 56 3.443 3.941 1.616 432 HE3 TRP 56 HE3 TRP 56 1.870 -0.177 -1.405 433 HZ2 TRP 56 HZ2 TRP 56 0.924 2.921 2.388 434 HZ3 TRP 56 HZ3 TRP 56 -0.211 -0.360 -0.097 435 HH2 TRP 56 HH2 TRP 56 -0.670 1.162 1.760 436 H LEU 57 HN LEU 57 4.498 3.089 -4.222 437 HA LEU 57 HA LEU 57 2.271 4.754 -3.693 438 HB2 LEU 57 HB2 LEU 57 4.264 5.058 -5.942 439 HB3 LEU 57 HB1 LEU 57 3.298 6.325 -5.213 440 HG LEU 57 HG LEU 57 5.435 4.788 -3.749 441 HD11 LEU 57 HD11 LEU 57 5.571 7.489 -5.081 442 HD12 LEU 57 HD12 LEU 57 6.461 6.037 -5.543 443 HD13 LEU 57 HD13 LEU 57 6.797 6.826 -4.000 444 HD21 LEU 57 HD21 LEU 57 5.258 6.575 -2.106 445 HD22 LEU 57 HD22 LEU 57 3.701 5.775 -2.321 446 HD23 LEU 57 HD23 LEU 57 3.994 7.351 -3.062 447 H ASN 58 HN ASN 58 3.303 3.029 -6.568 448 HA ASN 58 HA ASN 58 1.301 3.872 -8.319 449 HB2 ASN 58 HB2 ASN 58 3.368 2.854 -9.116 450 HB3 ASN 58 HB1 ASN 58 2.933 1.326 -8.362 451 HD21 ASN 58 HD21 ASN 58 2.296 3.516 -10.978 452 HD22 ASN 58 HD22 ASN 58 1.361 2.423 -11.934 453 H PHE 59 HN PHE 59 1.479 0.981 -6.253 454 HA PHE 59 HA PHE 59 -0.932 -0.191 -7.103 455 HB2 PHE 59 HB2 PHE 59 0.636 -1.452 -5.735 456 HB3 PHE 59 HB1 PHE 59 0.449 -0.310 -4.407 457 HD1 PHE 59 HD1 PHE 59 -0.969 -3.172 -6.127 458 HD2 PHE 59 HD2 PHE 59 -1.636 -0.243 -3.113 459 HE1 PHE 59 HE1 PHE 59 -2.832 -4.509 -5.238 460 HE2 PHE 59 HE2 PHE 59 -3.503 -1.569 -2.228 461 HZ PHE 59 HZ PHE 59 -4.104 -3.703 -3.289 462 H ALA 60 HN ALA 60 -0.185 2.153 -4.587 463 HA ALA 60 HA ALA 60 -2.796 2.362 -3.523 464 HB1 ALA 60 HB1 ALA 60 -0.598 4.426 -3.576 465 HB2 ALA 60 HB2 ALA 60 -0.812 3.176 -2.350 466 HB3 ALA 60 HB3 ALA 60 -2.020 4.449 -2.531 467 H LYS 61 HN LYS 61 -1.080 4.098 -6.064 468 HA LYS 61 HA LYS 61 -3.096 5.963 -6.682 469 HB2 LYS 61 HB2 LYS 61 -0.992 4.773 -8.493 470 HB3 LYS 61 HB1 LYS 61 -1.900 6.251 -8.794 471 HG2 LYS 61 HG2 LYS 61 -0.038 5.810 -6.487 472 HG3 LYS 61 HG1 LYS 61 0.355 6.683 -7.964 473 HD2 LYS 61 HD2 LYS 61 -1.793 8.055 -7.381 474 HD3 LYS 61 HD1 LYS 61 -1.519 7.422 -5.756 475 HE2 LYS 61 HE2 LYS 61 -0.469 9.564 -5.945 476 HE3 LYS 61 HE1 LYS 61 0.775 8.314 -5.850 477 HZ1 LYS 61 HZ1 LYS 61 1.076 8.433 -8.215 478 HZ2 LYS 61 HZ2 LYS 61 1.257 9.983 -7.550 479 HZ3 LYS 61 HZ3 LYS 61 -0.171 9.567 -8.366 480 H LYS 62 HN LYS 62 -2.408 2.718 -7.855 481 HA LYS 62 HA LYS 62 -4.061 2.777 -10.118 482 HB2 LYS 62 HB2 LYS 62 -2.299 1.165 -9.961 483 HB3 LYS 62 HB1 LYS 62 -2.955 0.512 -8.471 484 HG2 LYS 62 HG2 LYS 62 -4.963 -0.221 -9.805 485 HG3 LYS 62 HG1 LYS 62 -4.058 0.223 -11.253 486 HD2 LYS 62 HD2 LYS 62 -3.796 -2.140 -10.857 487 HD3 LYS 62 HD1 LYS 62 -2.259 -1.333 -10.548 488 HE2 LYS 62 HE2 LYS 62 -2.801 -1.335 -8.125 489 HE3 LYS 62 HE1 LYS 62 -4.262 -2.249 -8.486 490 HZ1 LYS 62 HZ1 LYS 62 -2.823 -3.991 -9.441 491 HZ2 LYS 62 HZ2 LYS 62 -2.560 -3.746 -7.794 492 HZ3 LYS 62 HZ3 LYS 62 -1.462 -3.129 -8.923 493 H HIS 63 HN HIS 63 -4.638 1.431 -6.902 494 HA HIS 63 HA HIS 63 -7.244 0.504 -7.640 495 HB2 HIS 63 HB2 HIS 63 -7.301 -0.547 -5.606 496 HB3 HIS 63 HB1 HIS 63 -5.572 -0.366 -5.818 497 HD1 HIS 63 HD1 HIS 63 -8.084 0.032 -3.351 498 HD2 HIS 63 HD2 HIS 63 -4.652 2.135 -4.376 499 HE1 HIS 63 HE1 HIS 63 -7.468 1.356 -1.312 500 HE2 HIS 63 HE2 HIS 63 -5.556 2.808 -2.049 501 H TYR 64 HN TYR 64 -5.913 3.361 -6.377 502 HA TYR 64 HA TYR 64 -7.768 4.409 -4.673 503 HB2 TYR 64 HB2 TYR 64 -5.582 5.430 -6.160 504 HB3 TYR 64 HB1 TYR 64 -6.915 6.569 -6.322 505 HD1 TYR 64 HD1 TYR 64 -4.104 6.450 -4.691 506 HD2 TYR 64 HD2 TYR 64 -8.237 6.313 -3.712 507 HE1 TYR 64 HE1 TYR 64 -3.596 7.318 -2.461 508 HE2 TYR 64 HE2 TYR 64 -7.742 7.183 -1.472 509 HH TYR 64 HH TYR 64 -4.698 8.472 -0.634 510 H ASN 65 HN ASN 65 -7.709 6.079 -7.768 511 HA ASN 65 HA ASN 65 -10.614 5.809 -7.938 512 HB2 ASN 65 HB2 ASN 65 -9.059 8.399 -8.027 513 HB3 ASN 65 HB1 ASN 65 -10.764 8.243 -8.403 514 HD21 ASN 65 HD21 ASN 65 -12.230 7.764 -6.724 515 HD22 ASN 65 HD22 ASN 65 -11.818 8.056 -5.071 516 H TYR 66 HN TYR 66 -8.560 4.561 -9.419 517 HA TYR 66 HA TYR 66 -9.138 5.656 -12.088 518 HB2 TYR 66 HB2 TYR 66 -6.595 4.235 -11.255 519 HB3 TYR 66 HB1 TYR 66 -6.950 4.885 -12.850 520 HD1 TYR 66 HD1 TYR 66 -5.919 5.658 -9.455 521 HD2 TYR 66 HD2 TYR 66 -6.920 7.323 -13.232 522 HE1 TYR 66 HE1 TYR 66 -4.902 7.778 -8.768 523 HE2 TYR 66 HE2 TYR 66 -5.903 9.462 -12.561 524 HH TYR 66 HH TYR 66 -3.902 9.774 -9.849 525 H GLU 67 HN GLU 67 -9.590 4.089 -13.693 526 HA GLU 67 HA GLU 67 -10.724 1.695 -12.526 527 HB2 GLU 67 HB2 GLU 67 -11.084 2.876 -15.286 528 HB3 GLU 67 HB1 GLU 67 -12.051 1.603 -14.555 529 HG2 GLU 67 HG2 GLU 67 -12.939 3.128 -12.936 530 HG3 GLU 67 HG1 GLU 67 -11.870 4.410 -13.504 531 H GLN 68 HN GLN 68 -10.884 0.380 -15.020 532 HA GLN 68 HA GLN 68 -9.885 -1.480 -15.884 533 HB2 GLN 68 HB2 GLN 68 -7.680 0.540 -16.333 534 HB3 GLN 68 HB1 GLN 68 -7.787 -1.026 -17.125 535 HG2 GLN 68 HG2 GLN 68 -9.789 1.207 -17.376 536 HG3 GLN 68 HG1 GLN 68 -8.558 0.786 -18.564 537 HE21 GLN 68 HE21 GLN 68 -8.791 -1.093 -19.776 538 HE22 GLN 68 HE22 GLN 68 -10.304 -1.923 -19.901 539 HA PRO 69 HA PRO 69 -7.307 -2.213 -12.092 540 HB2 PRO 69 HB2 PRO 69 -8.857 -4.034 -10.882 541 HB3 PRO 69 HB1 PRO 69 -9.203 -2.304 -10.770 542 HG2 PRO 69 HG2 PRO 69 -10.489 -4.389 -12.480 543 HG3 PRO 69 HG1 PRO 69 -11.232 -3.032 -11.616 544 HD2 PRO 69 HD2 PRO 69 -10.623 -3.043 -14.314 545 HD3 PRO 69 HD1 PRO 69 -10.833 -1.583 -13.332 546 H PHE 70 HN PHE 70 -6.479 -3.203 -14.443 547 HA PHE 70 HA PHE 70 -6.670 -6.079 -14.492 548 HB2 PHE 70 HB2 PHE 70 -5.082 -5.851 -16.447 549 HB3 PHE 70 HB1 PHE 70 -6.649 -5.076 -16.617 550 HD1 PHE 70 HD1 PHE 70 -3.153 -4.300 -15.548 551 HD2 PHE 70 HD2 PHE 70 -6.723 -2.911 -17.401 552 HE1 PHE 70 HE1 PHE 70 -2.029 -2.190 -16.123 553 HE2 PHE 70 HE2 PHE 70 -5.605 -0.796 -17.975 554 HZ PHE 70 HZ PHE 70 -3.255 -0.434 -17.337 555 H LYS 71 HN LYS 71 -4.058 -6.705 -15.387 556 HA LYS 71 HA LYS 71 -2.171 -7.611 -14.548 557 HB2 LYS 71 HB2 LYS 71 -1.546 -5.223 -14.315 558 HB3 LYS 71 HB1 LYS 71 -2.159 -5.242 -12.669 559 HG2 LYS 71 HG2 LYS 71 0.282 -5.438 -12.766 560 HG3 LYS 71 HG1 LYS 71 -0.470 -6.854 -12.033 561 HD2 LYS 71 HD2 LYS 71 -0.231 -8.093 -14.102 562 HD3 LYS 71 HD1 LYS 71 0.429 -6.665 -14.903 563 HE2 LYS 71 HE2 LYS 71 1.684 -7.990 -12.507 564 HE3 LYS 71 HE1 LYS 71 2.133 -8.342 -14.174 565 HZ1 LYS 71 HZ1 LYS 71 2.708 -5.986 -14.439 566 HZ2 LYS 71 HZ2 LYS 71 3.635 -6.740 -13.248 567 HZ3 LYS 71 HZ3 LYS 71 2.365 -5.720 -12.806 568 H HIS 72 HN HIS 72 -4.478 -8.686 -13.715 569 HA HIS 72 HA HIS 72 -3.948 -9.415 -10.913 570 HB2 HIS 72 HB2 HIS 72 -6.429 -9.854 -10.725 571 HB3 HIS 72 HB1 HIS 72 -5.980 -8.162 -10.885 572 HD1 HIS 72 HD1 HIS 72 -7.003 -6.878 -12.777 573 HD2 HIS 72 HD2 HIS 72 -7.598 -10.978 -13.125 574 HE1 HIS 72 HE1 HIS 72 -8.461 -7.175 -14.805 575 HE2 HIS 72 HE2 HIS 72 -9.012 -9.640 -14.831 576 H ILE 73 HN ILE 73 -3.927 -10.486 -14.038 577 HA ILE 73 HA ILE 73 -3.627 -13.207 -13.239 578 HB ILE 73 HB ILE 73 -6.098 -13.070 -13.309 579 HG12 ILE 73 HG12 ILE 73 -4.896 -14.776 -15.499 580 HG13 ILE 73 HG11 ILE 73 -4.937 -15.189 -13.788 581 HG21 ILE 73 HG21 ILE 73 -6.374 -11.373 -15.018 582 HG22 ILE 73 HG22 ILE 73 -7.248 -12.838 -15.464 583 HG23 ILE 73 HG23 ILE 73 -5.708 -12.461 -16.236 584 HD11 ILE 73 HD11 ILE 73 -7.338 -14.820 -15.563 585 HD12 ILE 73 HD12 ILE 73 -7.368 -15.256 -13.856 586 HD13 ILE 73 HD13 ILE 73 -6.662 -16.359 -15.035 587 H ASN 74 HN ASN 74 -3.895 -10.811 -15.766 588 HA ASN 74 HA ASN 74 -2.927 -10.546 -17.789 589 HB2 ASN 74 HB2 ASN 74 -0.893 -12.350 -16.491 590 HB3 ASN 74 HB1 ASN 74 -0.685 -11.739 -18.127 591 HD21 ASN 74 HD21 ASN 74 0.949 -11.272 -15.810 592 HD22 ASN 74 HD22 ASN 74 0.977 -9.561 -15.572 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -6.044 13.422 -3.105 2 H2 MET 1 HT2 MET 1 -6.505 14.963 -3.621 3 H3 MET 1 HT3 MET 1 -5.069 14.758 -2.756 4 HA MET 1 HA MET 1 -5.619 13.623 -5.428 5 HB2 MET 1 HB2 MET 1 -5.429 16.022 -5.599 6 HB3 MET 1 HB1 MET 1 -3.993 16.031 -4.589 7 HG2 MET 1 HG2 MET 1 -2.735 14.913 -6.301 8 HG3 MET 1 HG1 MET 1 -4.189 14.720 -7.273 9 HE1 MET 1 HE1 MET 1 -5.360 16.529 -8.586 10 HE2 MET 1 HE2 MET 1 -4.984 18.251 -8.521 11 HE3 MET 1 HE3 MET 1 -5.677 17.446 -7.113 12 H ALA 2 HN ALA 2 -3.847 12.618 -6.394 13 HA ALA 2 HA ALA 2 -2.658 10.766 -4.648 14 HB1 ALA 2 HB1 ALA 2 -1.650 9.799 -6.617 15 HB2 ALA 2 HB2 ALA 2 -1.994 11.258 -7.543 16 HB3 ALA 2 HB3 ALA 2 -3.319 10.255 -6.955 17 H SER 3 HN SER 3 -1.344 13.656 -6.183 18 HA SER 3 HA SER 3 1.368 13.148 -5.658 19 HB2 SER 3 HB2 SER 3 0.639 14.904 -7.204 20 HB3 SER 3 HB1 SER 3 -0.080 15.801 -5.870 21 HG SER 3 HG SER 3 2.677 15.208 -6.229 22 H ASP 4 HN ASP 4 -1.154 14.637 -3.694 23 HA ASP 4 HA ASP 4 0.533 15.358 -1.523 24 HB2 ASP 4 HB2 ASP 4 -1.617 16.426 -1.756 25 HB3 ASP 4 HB1 ASP 4 -2.447 14.876 -1.674 26 H MET 5 HN MET 5 -1.505 12.574 -2.223 27 HA MET 5 HA MET 5 -1.011 11.207 0.203 28 HB2 MET 5 HB2 MET 5 -1.909 10.163 -2.480 29 HB3 MET 5 HB1 MET 5 -1.852 9.201 -1.013 30 HG2 MET 5 HG2 MET 5 -3.559 11.621 -1.514 31 HG3 MET 5 HG1 MET 5 -4.097 9.944 -1.404 32 HE1 MET 5 HE1 MET 5 -3.500 9.144 2.384 33 HE2 MET 5 HE2 MET 5 -2.403 8.839 1.039 34 HE3 MET 5 HE3 MET 5 -4.131 8.543 0.850 35 H GLU 6 HN GLU 6 0.661 11.315 -2.869 36 HA GLU 6 HA GLU 6 2.296 9.092 -2.692 37 HB2 GLU 6 HB2 GLU 6 2.175 10.498 -4.667 38 HB3 GLU 6 HB1 GLU 6 2.895 11.843 -3.801 39 HG2 GLU 6 HG2 GLU 6 4.962 10.489 -3.557 40 HG3 GLU 6 HG1 GLU 6 4.213 9.260 -4.574 41 H GLU 7 HN GLU 7 2.832 12.346 -1.382 42 HA GLU 7 HA GLU 7 5.289 11.868 -0.122 43 HB2 GLU 7 HB2 GLU 7 3.029 13.750 0.547 44 HB3 GLU 7 HB1 GLU 7 4.564 13.760 1.401 45 HG2 GLU 7 HG2 GLU 7 4.180 14.232 -1.535 46 HG3 GLU 7 HG1 GLU 7 4.440 15.480 -0.320 47 H LYS 8 HN LYS 8 1.978 11.346 0.934 48 HA LYS 8 HA LYS 8 2.569 10.792 3.647 49 HB2 LYS 8 HB2 LYS 8 0.172 9.815 2.092 50 HB3 LYS 8 HB1 LYS 8 0.293 10.058 3.822 51 HG2 LYS 8 HG2 LYS 8 0.394 12.219 1.769 52 HG3 LYS 8 HG1 LYS 8 -0.998 11.800 2.759 53 HD2 LYS 8 HD2 LYS 8 0.255 12.367 4.771 54 HD3 LYS 8 HD1 LYS 8 1.667 12.765 3.790 55 HE2 LYS 8 HE2 LYS 8 -1.012 14.142 3.608 56 HE3 LYS 8 HE1 LYS 8 0.381 14.760 4.491 57 HZ1 LYS 8 HZ1 LYS 8 1.591 15.007 2.487 58 HZ2 LYS 8 HZ2 LYS 8 0.067 15.696 2.212 59 HZ3 LYS 8 HZ3 LYS 8 0.431 14.168 1.585 60 H PHE 9 HN PHE 9 1.965 8.695 0.840 61 HA PHE 9 HA PHE 9 2.264 6.257 2.259 62 HB2 PHE 9 HB2 PHE 9 2.516 6.886 -0.688 63 HB3 PHE 9 HB1 PHE 9 2.561 5.256 -0.029 64 HD1 PHE 9 HD1 PHE 9 0.496 4.847 1.694 65 HD2 PHE 9 HD2 PHE 9 0.529 7.513 -1.619 66 HE1 PHE 9 HE1 PHE 9 -1.956 4.721 1.574 67 HE2 PHE 9 HE2 PHE 9 -1.924 7.390 -1.747 68 HZ PHE 9 HZ PHE 9 -3.170 5.994 -0.144 69 H ARG 10 HN ARG 10 4.471 8.319 0.470 70 HA ARG 10 HA ARG 10 6.686 6.638 0.340 71 HB2 ARG 10 HB2 ARG 10 6.534 8.715 -0.914 72 HB3 ARG 10 HB1 ARG 10 6.540 9.645 0.575 73 HG2 ARG 10 HG2 ARG 10 8.817 8.997 1.021 74 HG3 ARG 10 HG1 ARG 10 8.820 7.938 -0.389 75 HD2 ARG 10 HD2 ARG 10 8.482 9.853 -1.847 76 HD3 ARG 10 HD1 ARG 10 8.433 10.917 -0.447 77 HE ARG 10 HE ARG 10 10.841 9.542 -0.343 78 HH11 ARG 10 HH11 ARG 10 9.247 11.843 -2.441 79 HH12 ARG 10 HH12 ARG 10 10.728 12.559 -2.994 80 HH21 ARG 10 HH21 ARG 10 12.797 10.485 -1.064 81 HH22 ARG 10 HH22 ARG 10 12.747 11.789 -2.210 82 H GLU 11 HN GLU 11 5.749 8.949 2.835 83 HA GLU 11 HA GLU 11 8.051 8.577 4.441 84 HB2 GLU 11 HB2 GLU 11 6.733 10.590 4.624 85 HB3 GLU 11 HB1 GLU 11 5.315 9.666 5.099 86 HG2 GLU 11 HG2 GLU 11 6.494 8.975 7.149 87 HG3 GLU 11 HG1 GLU 11 7.853 9.997 6.681 88 H ALA 12 HN ALA 12 4.796 7.215 4.562 89 HA ALA 12 HA ALA 12 5.169 5.798 6.986 90 HB1 ALA 12 HB1 ALA 12 3.196 5.278 4.769 91 HB2 ALA 12 HB2 ALA 12 2.953 6.359 6.141 92 HB3 ALA 12 HB3 ALA 12 3.113 4.623 6.405 93 H PHE 13 HN PHE 13 5.556 4.937 3.591 94 HA PHE 13 HA PHE 13 5.952 2.193 3.858 95 HB2 PHE 13 HB2 PHE 13 5.706 3.457 1.704 96 HB3 PHE 13 HB1 PHE 13 7.365 4.013 1.899 97 HD1 PHE 13 HD1 PHE 13 9.204 2.605 1.365 98 HD2 PHE 13 HD2 PHE 13 5.240 1.066 1.374 99 HE1 PHE 13 HE1 PHE 13 9.998 0.562 0.248 100 HE2 PHE 13 HE2 PHE 13 6.020 -0.974 0.266 101 HZ PHE 13 HZ PHE 13 8.405 -1.233 -0.304 102 H ILE 14 HN ILE 14 8.266 4.871 4.033 103 HA ILE 14 HA ILE 14 10.592 3.335 4.376 104 HB ILE 14 HB ILE 14 9.998 6.123 5.384 105 HG12 ILE 14 HG12 ILE 14 11.457 5.218 2.893 106 HG13 ILE 14 HG11 ILE 14 9.793 5.796 2.922 107 HG21 ILE 14 HG21 ILE 14 12.631 4.693 5.046 108 HG22 ILE 14 HG22 ILE 14 11.881 5.152 6.574 109 HG23 ILE 14 HG23 ILE 14 12.441 6.398 5.457 110 HD11 ILE 14 HD11 ILE 14 11.310 7.534 2.190 111 HD12 ILE 14 HD12 ILE 14 12.231 7.382 3.686 112 HD13 ILE 14 HD13 ILE 14 10.567 7.966 3.729 113 H LEU 15 HN LEU 15 8.321 4.703 6.718 114 HA LEU 15 HA LEU 15 9.758 4.054 9.039 115 HB2 LEU 15 HB2 LEU 15 6.776 4.315 8.686 116 HB3 LEU 15 HB1 LEU 15 7.629 4.340 10.216 117 HG LEU 15 HG LEU 15 7.892 6.392 8.019 118 HD11 LEU 15 HD11 LEU 15 6.793 7.887 9.608 119 HD12 LEU 15 HD12 LEU 15 6.598 6.546 10.735 120 HD13 LEU 15 HD13 LEU 15 5.762 6.521 9.183 121 HD21 LEU 15 HD21 LEU 15 9.226 7.644 9.661 122 HD22 LEU 15 HD22 LEU 15 9.992 6.124 9.205 123 HD23 LEU 15 HD23 LEU 15 9.161 6.263 10.754 124 H PHE 16 HN PHE 16 7.306 2.231 7.245 125 HA PHE 16 HA PHE 16 7.247 0.093 9.150 126 HB2 PHE 16 HB2 PHE 16 6.055 0.545 6.447 127 HB3 PHE 16 HB1 PHE 16 6.063 -1.078 7.125 128 HD1 PHE 16 HD1 PHE 16 5.196 2.404 8.187 129 HD2 PHE 16 HD2 PHE 16 4.206 -1.733 8.266 130 HE1 PHE 16 HE1 PHE 16 3.141 2.922 9.436 131 HE2 PHE 16 HE2 PHE 16 2.148 -1.227 9.512 132 HZ PHE 16 HZ PHE 16 1.616 1.106 10.104 133 H SER 17 HN SER 17 8.814 0.563 5.991 134 HA SER 17 HA SER 17 9.731 -2.182 5.970 135 HB2 SER 17 HB2 SER 17 10.770 -1.584 3.822 136 HB3 SER 17 HB1 SER 17 9.084 -1.065 3.870 137 HG SER 17 HG SER 17 9.692 1.000 4.010 138 H SER 18 HN SER 18 10.863 0.812 7.136 139 HA SER 18 HA SER 18 12.821 1.586 7.963 140 HB2 SER 18 HB2 SER 18 13.647 -1.328 8.043 141 HB3 SER 18 HB1 SER 18 14.392 -0.005 8.942 142 HG SER 18 HG SER 18 11.700 -0.885 9.204 143 H CYS 19 HN CYS 19 12.370 0.776 5.048 144 HA CYS 19 HA CYS 19 15.094 1.214 4.100 145 HB2 CYS 19 HB2 CYS 19 13.324 -1.044 3.121 146 HB3 CYS 19 HB1 CYS 19 14.902 -0.616 2.475 147 HG CYS 19 HG CYS 19 16.078 -2.382 3.910 148 H SER 20 HN SER 20 14.105 0.547 1.334 149 HA SER 20 HA SER 20 11.931 2.392 0.882 150 HB2 SER 20 HB2 SER 20 14.004 3.826 1.081 151 HB3 SER 20 HB1 SER 20 14.620 3.009 -0.353 152 HG SER 20 HG SER 20 13.127 5.114 -0.320 153 H ASP 21 HN ASP 21 14.568 0.532 -0.600 154 HA ASP 21 HA ASP 21 13.123 0.278 -3.082 155 HB2 ASP 21 HB2 ASP 21 15.759 -0.869 -2.158 156 HB3 ASP 21 HB1 ASP 21 15.086 -1.133 -3.762 157 H HIS 22 HN HIS 22 13.325 -1.504 -0.170 158 HA HIS 22 HA HIS 22 11.645 -3.576 -1.348 159 HB2 HIS 22 HB2 HIS 22 14.283 -4.061 -0.011 160 HB3 HIS 22 HB1 HIS 22 13.003 -5.261 0.114 161 HD1 HIS 22 HD1 HIS 22 15.876 -5.193 -1.572 162 HD2 HIS 22 HD2 HIS 22 11.971 -5.209 -2.986 163 HE1 HIS 22 HE1 HIS 22 16.000 -6.164 -3.884 164 HE2 HIS 22 HE2 HIS 22 13.606 -6.348 -4.638 165 H ILE 23 HN ILE 23 10.276 -4.629 0.103 166 HA ILE 23 HA ILE 23 10.364 -3.781 2.903 167 HB ILE 23 HB ILE 23 8.788 -2.257 1.821 168 HG12 ILE 23 HG12 ILE 23 7.279 -4.305 3.456 169 HG13 ILE 23 HG11 ILE 23 8.378 -3.117 4.146 170 HG21 ILE 23 HG21 ILE 23 6.722 -3.077 0.788 171 HG22 ILE 23 HG22 ILE 23 7.278 -4.737 1.002 172 HG23 ILE 23 HG23 ILE 23 8.148 -3.650 -0.078 173 HD11 ILE 23 HD11 ILE 23 6.962 -1.319 3.299 174 HD12 ILE 23 HD12 ILE 23 6.068 -2.410 4.359 175 HD13 ILE 23 HD13 ILE 23 5.863 -2.512 2.611 176 H GLU 24 HN GLU 24 9.859 -5.371 4.315 177 HA GLU 24 HA GLU 24 9.551 -8.040 3.596 178 HB2 GLU 24 HB2 GLU 24 8.843 -6.534 6.106 179 HB3 GLU 24 HB1 GLU 24 8.719 -8.284 5.975 180 HG2 GLU 24 HG2 GLU 24 10.776 -7.693 7.030 181 HG3 GLU 24 HG1 GLU 24 11.093 -8.400 5.455 182 H MET 25 HN MET 25 7.852 -9.321 3.195 183 HA MET 25 HA MET 25 5.481 -8.191 2.209 184 HB2 MET 25 HB2 MET 25 6.425 -10.966 2.723 185 HB3 MET 25 HB1 MET 25 4.710 -10.713 2.445 186 HG2 MET 25 HG2 MET 25 6.907 -9.856 0.580 187 HG3 MET 25 HG1 MET 25 5.937 -11.317 0.407 188 HE1 MET 25 HE1 MET 25 5.127 -10.793 -1.978 189 HE2 MET 25 HE2 MET 25 6.147 -9.354 -2.012 190 HE3 MET 25 HE3 MET 25 4.451 -9.248 -2.493 191 H TYR 26 HN TYR 26 6.245 -9.566 5.371 192 HA TYR 26 HA TYR 26 3.514 -9.703 6.167 193 HB2 TYR 26 HB2 TYR 26 4.459 -10.027 8.451 194 HB3 TYR 26 HB1 TYR 26 5.040 -11.171 7.264 195 HD1 TYR 26 HD1 TYR 26 7.359 -11.329 6.755 196 HD2 TYR 26 HD2 TYR 26 5.956 -8.206 9.280 197 HE1 TYR 26 HE1 TYR 26 9.672 -10.831 7.417 198 HE2 TYR 26 HE2 TYR 26 8.269 -7.696 9.944 199 HH TYR 26 HH TYR 26 10.991 -9.102 8.329 200 H LYS 27 HN LYS 27 6.056 -7.305 6.422 201 HA LYS 27 HA LYS 27 4.584 -5.586 8.142 202 HB2 LYS 27 HB2 LYS 27 7.111 -5.886 7.935 203 HB3 LYS 27 HB1 LYS 27 6.991 -4.949 6.453 204 HG2 LYS 27 HG2 LYS 27 7.626 -3.516 8.218 205 HG3 LYS 27 HG1 LYS 27 5.974 -3.138 7.737 206 HD2 LYS 27 HD2 LYS 27 5.120 -4.433 9.624 207 HD3 LYS 27 HD1 LYS 27 6.771 -4.825 10.104 208 HE2 LYS 27 HE2 LYS 27 7.230 -2.510 10.574 209 HE3 LYS 27 HE1 LYS 27 5.648 -2.033 9.952 210 HZ1 LYS 27 HZ1 LYS 27 5.653 -2.131 12.361 211 HZ2 LYS 27 HZ2 LYS 27 6.130 -3.751 12.324 212 HZ3 LYS 27 HZ3 LYS 27 4.607 -3.304 11.725 213 H PHE 28 HN PHE 28 5.076 -6.065 4.756 214 HA PHE 28 HA PHE 28 4.284 -3.608 3.708 215 HB2 PHE 28 HB2 PHE 28 5.342 -5.199 2.287 216 HB3 PHE 28 HB1 PHE 28 4.128 -6.422 2.634 217 HD1 PHE 28 HD1 PHE 28 4.637 -3.148 0.974 218 HD2 PHE 28 HD2 PHE 28 2.249 -6.653 1.291 219 HE1 PHE 28 HE1 PHE 28 3.385 -2.467 -1.026 220 HE2 PHE 28 HE2 PHE 28 0.983 -5.983 -0.702 221 HZ PHE 28 HZ PHE 28 1.547 -3.883 -1.872 222 H PHE 29 HN PHE 29 2.351 -6.405 4.674 223 HA PHE 29 HA PHE 29 -0.049 -5.453 3.502 224 HB2 PHE 29 HB2 PHE 29 0.511 -7.842 4.170 225 HB3 PHE 29 HB1 PHE 29 0.120 -7.370 5.819 226 HD1 PHE 29 HD1 PHE 29 -1.230 -7.880 2.427 227 HD2 PHE 29 HD2 PHE 29 -2.127 -7.055 6.516 228 HE1 PHE 29 HE1 PHE 29 -3.607 -8.351 2.004 229 HE2 PHE 29 HE2 PHE 29 -4.503 -7.509 6.091 230 HZ PHE 29 HZ PHE 29 -5.245 -8.164 3.834 231 H GLU 30 HN GLU 30 1.164 -5.363 6.863 232 HA GLU 30 HA GLU 30 -1.047 -3.897 7.854 233 HB2 GLU 30 HB2 GLU 30 0.423 -3.382 9.802 234 HB3 GLU 30 HB1 GLU 30 0.240 -5.089 9.443 235 HG2 GLU 30 HG2 GLU 30 2.429 -5.068 8.335 236 HG3 GLU 30 HG1 GLU 30 2.607 -3.367 8.764 237 H LEU 31 HN LEU 31 1.872 -3.003 6.260 238 HA LEU 31 HA LEU 31 1.980 -0.280 6.821 239 HB2 LEU 31 HB2 LEU 31 3.791 -1.414 5.755 240 HB3 LEU 31 HB1 LEU 31 2.771 -1.946 4.443 241 HG LEU 31 HG LEU 31 4.503 -0.145 3.982 242 HD11 LEU 31 HD11 LEU 31 2.804 -0.737 2.390 243 HD12 LEU 31 HD12 LEU 31 3.074 1.006 2.388 244 HD13 LEU 31 HD13 LEU 31 1.652 0.333 3.189 245 HD21 LEU 31 HD21 LEU 31 3.828 2.155 4.382 246 HD22 LEU 31 HD22 LEU 31 4.069 1.284 5.896 247 HD23 LEU 31 HD23 LEU 31 2.435 1.590 5.304 248 H MET 32 HN MET 32 0.109 -2.063 4.447 249 HA MET 32 HA MET 32 -1.038 0.382 3.412 250 HB2 MET 32 HB2 MET 32 -2.140 -0.921 1.777 251 HB3 MET 32 HB1 MET 32 -0.535 -1.610 1.961 252 HG2 MET 32 HG2 MET 32 -1.365 -3.462 3.154 253 HG3 MET 32 HG1 MET 32 -2.944 -2.706 3.370 254 HE1 MET 32 HE1 MET 32 -0.597 -2.876 0.297 255 HE2 MET 32 HE2 MET 32 -1.355 -4.100 -0.720 256 HE3 MET 32 HE3 MET 32 -0.551 -4.576 0.778 257 H ASN 33 HN ASN 33 -2.043 -2.173 5.638 258 HA ASN 33 HA ASN 33 -4.793 -1.627 5.697 259 HB2 ASN 33 HB2 ASN 33 -3.125 -2.290 8.117 260 HB3 ASN 33 HB1 ASN 33 -4.853 -2.532 7.930 261 HD21 ASN 33 HD21 ASN 33 -2.698 -4.279 8.602 262 HD22 ASN 33 HD22 ASN 33 -2.757 -5.585 7.470 263 H SER 34 HN SER 34 -2.073 0.069 6.955 264 HA SER 34 HA SER 34 -3.366 1.436 9.034 265 HB2 SER 34 HB2 SER 34 -0.894 2.268 7.490 266 HB3 SER 34 HB1 SER 34 -1.374 2.862 9.079 267 HG SER 34 HG SER 34 -0.413 0.318 8.338 268 H PHE 35 HN PHE 35 -3.211 1.937 5.622 269 HA PHE 35 HA PHE 35 -4.327 4.634 5.815 270 HB2 PHE 35 HB2 PHE 35 -3.297 3.022 3.482 271 HB3 PHE 35 HB1 PHE 35 -4.063 4.598 3.307 272 HD1 PHE 35 HD1 PHE 35 -1.070 2.804 4.321 273 HD2 PHE 35 HD2 PHE 35 -2.960 6.609 4.122 274 HE1 PHE 35 HE1 PHE 35 1.102 3.898 4.683 275 HE2 PHE 35 HE2 PHE 35 -0.792 7.712 4.481 276 HZ PHE 35 HZ PHE 35 1.242 6.356 4.761 277 H GLY 36 HN GLY 36 -5.527 1.629 5.978 278 HA2 GLY 36 HA2 GLY 36 -7.723 0.904 5.813 279 HA3 GLY 36 HA1 GLY 36 -8.140 2.426 5.040 280 H ILE 37 HN ILE 37 -5.480 0.667 3.775 281 HA ILE 37 HA ILE 37 -6.917 0.269 1.284 282 HB ILE 37 HB ILE 37 -4.012 -0.127 2.013 283 HG12 ILE 37 HG12 ILE 37 -5.353 2.008 0.347 284 HG13 ILE 37 HG11 ILE 37 -4.901 2.208 2.035 285 HG21 ILE 37 HG21 ILE 37 -3.599 -0.321 -0.392 286 HG22 ILE 37 HG22 ILE 37 -5.334 -0.254 -0.698 287 HG23 ILE 37 HG23 ILE 37 -4.647 -1.617 0.185 288 HD11 ILE 37 HD11 ILE 37 -2.578 1.961 1.480 289 HD12 ILE 37 HD12 ILE 37 -3.301 3.218 0.476 290 HD13 ILE 37 HD13 ILE 37 -2.983 1.620 -0.201 291 H ILE 38 HN ILE 38 -7.612 -1.654 0.531 292 HA ILE 38 HA ILE 38 -7.119 -4.002 2.198 293 HB ILE 38 HB ILE 38 -9.313 -3.487 0.193 294 HG12 ILE 38 HG12 ILE 38 -9.404 -3.478 3.217 295 HG13 ILE 38 HG11 ILE 38 -9.455 -2.042 2.200 296 HG21 ILE 38 HG21 ILE 38 -10.337 -5.489 1.144 297 HG22 ILE 38 HG22 ILE 38 -8.923 -5.715 2.171 298 HG23 ILE 38 HG23 ILE 38 -8.767 -5.832 0.421 299 HD11 ILE 38 HD11 ILE 38 -11.499 -4.246 2.233 300 HD12 ILE 38 HD12 ILE 38 -11.559 -2.790 1.242 301 HD13 ILE 38 HD13 ILE 38 -11.662 -2.667 2.998 302 H LEU 39 HN LEU 39 -5.721 -5.418 1.428 303 HA LEU 39 HA LEU 39 -5.490 -5.794 -1.484 304 HB2 LEU 39 HB2 LEU 39 -3.414 -5.113 -0.420 305 HB3 LEU 39 HB1 LEU 39 -3.563 -6.402 0.754 306 HG LEU 39 HG LEU 39 -3.320 -8.044 -1.121 307 HD11 LEU 39 HD11 LEU 39 -2.385 -7.256 -3.216 308 HD12 LEU 39 HD12 LEU 39 -2.573 -5.586 -2.685 309 HD13 LEU 39 HD13 LEU 39 -3.998 -6.590 -2.956 310 HD21 LEU 39 HD21 LEU 39 -1.448 -7.475 0.307 311 HD22 LEU 39 HD22 LEU 39 -1.082 -6.078 -0.703 312 HD23 LEU 39 HD23 LEU 39 -0.906 -7.705 -1.357 313 H THR 40 HN THR 40 -6.461 -7.601 -2.218 314 HA THR 40 HA THR 40 -7.158 -9.671 -0.304 315 HB THR 40 HB THR 40 -8.261 -10.752 -2.319 316 HG1 THR 40 HG1 THR 40 -7.789 -8.177 -3.466 317 HG21 THR 40 HG21 THR 40 -9.151 -8.005 -1.462 318 HG22 THR 40 HG22 THR 40 -9.500 -9.526 -0.640 319 HG23 THR 40 HG23 THR 40 -10.169 -9.217 -2.242 320 H ASN 41 HN ASN 41 -6.891 -11.977 -0.983 321 HA ASN 41 HA ASN 41 -4.139 -12.544 -1.306 322 HB2 ASN 41 HB2 ASN 41 -6.590 -14.294 -1.362 323 HB3 ASN 41 HB1 ASN 41 -4.975 -14.946 -1.613 324 HD21 ASN 41 HD21 ASN 41 -5.074 -16.189 0.248 325 HD22 ASN 41 HD22 ASN 41 -4.960 -15.492 1.827 326 H ASP 42 HN ASP 42 -6.835 -12.476 -3.545 327 HA ASP 42 HA ASP 42 -5.542 -13.643 -5.760 328 HB2 ASP 42 HB2 ASP 42 -7.947 -13.310 -5.765 329 HB3 ASP 42 HB1 ASP 42 -7.739 -11.564 -5.653 330 H GLU 43 HN GLU 43 -5.841 -10.269 -4.723 331 HA GLU 43 HA GLU 43 -4.315 -9.165 -6.826 332 HB2 GLU 43 HB2 GLU 43 -4.852 -8.123 -4.043 333 HB3 GLU 43 HB1 GLU 43 -4.135 -7.178 -5.342 334 HG2 GLU 43 HG2 GLU 43 -6.142 -7.349 -6.644 335 HG3 GLU 43 HG1 GLU 43 -6.859 -8.446 -5.466 336 H LYS 44 HN LYS 44 -3.462 -10.324 -3.607 337 HA LYS 44 HA LYS 44 -0.776 -9.683 -3.534 338 HB2 LYS 44 HB2 LYS 44 -2.410 -11.868 -2.347 339 HB3 LYS 44 HB1 LYS 44 -0.658 -12.004 -2.266 340 HG2 LYS 44 HG2 LYS 44 -0.640 -9.702 -1.288 341 HG3 LYS 44 HG1 LYS 44 -2.389 -9.831 -1.132 342 HD2 LYS 44 HD2 LYS 44 -2.214 -11.669 0.353 343 HD3 LYS 44 HD1 LYS 44 -0.487 -11.852 0.029 344 HE2 LYS 44 HE2 LYS 44 -1.876 -9.628 1.500 345 HE3 LYS 44 HE1 LYS 44 -0.713 -10.784 2.143 346 HZ1 LYS 44 HZ1 LYS 44 -0.151 -8.643 0.154 347 HZ2 LYS 44 HZ2 LYS 44 0.971 -9.805 0.668 348 HZ3 LYS 44 HZ3 LYS 44 0.357 -8.680 1.770 349 H ALA 45 HN ALA 45 -2.340 -12.448 -5.084 350 HA ALA 45 HA ALA 45 0.038 -13.718 -5.939 351 HB1 ALA 45 HB1 ALA 45 -1.401 -14.981 -7.453 352 HB2 ALA 45 HB2 ALA 45 -2.724 -13.856 -7.147 353 HB3 ALA 45 HB3 ALA 45 -2.115 -14.876 -5.844 354 H ALA 46 HN ALA 46 -1.443 -10.843 -6.907 355 HA ALA 46 HA ALA 46 -0.433 -10.995 -9.652 356 HB1 ALA 46 HB1 ALA 46 -2.121 -8.874 -8.332 357 HB2 ALA 46 HB2 ALA 46 -2.717 -10.190 -9.341 358 HB3 ALA 46 HB3 ALA 46 -1.688 -8.942 -10.040 359 H LEU 47 HN LEU 47 0.390 -9.675 -6.581 360 HA LEU 47 HA LEU 47 1.960 -7.489 -7.587 361 HB2 LEU 47 HB2 LEU 47 2.410 -8.751 -4.902 362 HB3 LEU 47 HB1 LEU 47 2.646 -7.088 -5.380 363 HG LEU 47 HG LEU 47 0.051 -8.476 -4.753 364 HD11 LEU 47 HD11 LEU 47 -0.127 -6.744 -3.061 365 HD12 LEU 47 HD12 LEU 47 1.401 -6.043 -3.600 366 HD13 LEU 47 HD13 LEU 47 1.376 -7.649 -2.873 367 HD21 LEU 47 HD21 LEU 47 -0.194 -7.031 -6.771 368 HD22 LEU 47 HD22 LEU 47 0.342 -5.663 -5.790 369 HD23 LEU 47 HD23 LEU 47 -1.150 -6.518 -5.380 370 HA PRO 48 HA PRO 48 5.617 -9.823 -8.743 371 HB2 PRO 48 HB2 PRO 48 7.004 -7.311 -7.977 372 HB3 PRO 48 HB1 PRO 48 7.063 -8.208 -9.498 373 HG2 PRO 48 HG2 PRO 48 5.726 -5.906 -9.312 374 HG3 PRO 48 HG1 PRO 48 5.111 -7.250 -10.292 375 HD2 PRO 48 HD2 PRO 48 4.240 -6.319 -7.591 376 HD3 PRO 48 HD1 PRO 48 3.267 -6.931 -8.944 377 H ASN 49 HN ASN 49 7.447 -10.697 -7.719 378 HA ASN 49 HA ASN 49 7.109 -11.206 -4.971 379 HB2 ASN 49 HB2 ASN 49 8.188 -12.773 -6.587 380 HB3 ASN 49 HB1 ASN 49 9.584 -11.708 -6.633 381 HD21 ASN 49 HD21 ASN 49 7.684 -12.461 -3.779 382 HD22 ASN 49 HD22 ASN 49 8.948 -13.297 -2.955 383 H ASP 50 HN ASP 50 9.076 -8.891 -6.707 384 HA ASP 50 HA ASP 50 10.144 -7.936 -4.141 385 HB2 ASP 50 HB2 ASP 50 10.976 -7.352 -6.989 386 HB3 ASP 50 HB1 ASP 50 11.624 -6.496 -5.594 387 H ILE 51 HN ILE 51 8.947 -6.446 -3.205 388 HA ILE 51 HA ILE 51 7.517 -4.508 -4.880 389 HB ILE 51 HB ILE 51 7.079 -5.195 -1.967 390 HG12 ILE 51 HG12 ILE 51 5.426 -5.791 -4.433 391 HG13 ILE 51 HG11 ILE 51 6.357 -6.965 -3.512 392 HG21 ILE 51 HG21 ILE 51 5.091 -3.767 -2.138 393 HG22 ILE 51 HG22 ILE 51 5.552 -3.328 -3.783 394 HG23 ILE 51 HG23 ILE 51 6.572 -2.854 -2.424 395 HD11 ILE 51 HD11 ILE 51 3.981 -7.086 -3.004 396 HD12 ILE 51 HD12 ILE 51 4.004 -5.402 -2.482 397 HD13 ILE 51 HD13 ILE 51 4.921 -6.615 -1.588 398 H ASN 52 HN ASN 52 8.051 -2.415 -4.846 399 HA ASN 52 HA ASN 52 9.894 -1.482 -2.753 400 HB2 ASN 52 HB2 ASN 52 10.945 0.006 -4.396 401 HB3 ASN 52 HB1 ASN 52 11.123 -1.672 -4.849 402 HD21 ASN 52 HD21 ASN 52 11.296 0.686 -6.487 403 HD22 ASN 52 HD22 ASN 52 10.114 0.498 -7.737 404 H MET 53 HN MET 53 9.980 1.126 -3.220 405 HA MET 53 HA MET 53 7.497 2.018 -2.206 406 HB2 MET 53 HB2 MET 53 9.559 3.148 -1.607 407 HB3 MET 53 HB1 MET 53 9.841 3.587 -3.286 408 HG2 MET 53 HG2 MET 53 7.933 5.029 -3.291 409 HG3 MET 53 HG1 MET 53 7.480 4.495 -1.678 410 HE1 MET 53 HE1 MET 53 8.895 5.030 0.501 411 HE2 MET 53 HE2 MET 53 10.372 5.992 0.507 412 HE3 MET 53 HE3 MET 53 10.366 4.393 -0.235 413 H ASP 54 HN ASP 54 9.009 2.170 -5.387 414 HA ASP 54 HA ASP 54 7.185 3.895 -6.621 415 HB2 ASP 54 HB2 ASP 54 9.272 3.345 -7.705 416 HB3 ASP 54 HB1 ASP 54 8.828 1.645 -7.795 417 H TYR 55 HN TYR 55 7.152 0.310 -6.459 418 HA TYR 55 HA TYR 55 4.753 0.038 -7.929 419 HB2 TYR 55 HB2 TYR 55 6.340 -1.856 -7.460 420 HB3 TYR 55 HB1 TYR 55 5.748 -1.872 -5.801 421 HD1 TYR 55 HD1 TYR 55 3.630 -2.869 -5.243 422 HD2 TYR 55 HD2 TYR 55 4.807 -2.461 -9.315 423 HE1 TYR 55 HE1 TYR 55 1.780 -4.311 -5.916 424 HE2 TYR 55 HE2 TYR 55 2.946 -3.911 -9.997 425 HH TYR 55 HH TYR 55 0.378 -4.666 -8.003 426 H TRP 56 HN TRP 56 5.407 0.277 -4.461 427 HA TRP 56 HA TRP 56 2.810 -0.018 -3.509 428 HB2 TRP 56 HB2 TRP 56 4.647 -0.036 -1.969 429 HB3 TRP 56 HB1 TRP 56 5.158 1.572 -2.464 430 HD1 TRP 56 HD1 TRP 56 4.702 3.173 -0.501 431 HE1 TRP 56 HE1 TRP 56 2.733 3.585 1.104 432 HE3 TRP 56 HE3 TRP 56 1.639 -0.612 -2.010 433 HZ2 TRP 56 HZ2 TRP 56 0.204 2.455 1.647 434 HZ3 TRP 56 HZ3 TRP 56 -0.543 -0.880 -0.905 435 HH2 TRP 56 HH2 TRP 56 -1.239 0.624 0.884 436 H LEU 57 HN LEU 57 4.576 2.883 -4.446 437 HA LEU 57 HA LEU 57 2.709 4.816 -3.782 438 HB2 LEU 57 HB2 LEU 57 5.195 4.743 -4.647 439 HB3 LEU 57 HB1 LEU 57 4.431 5.003 -6.198 440 HG LEU 57 HG LEU 57 3.512 7.085 -5.445 441 HD11 LEU 57 HD11 LEU 57 4.886 6.464 -2.817 442 HD12 LEU 57 HD12 LEU 57 3.141 6.538 -3.080 443 HD13 LEU 57 HD13 LEU 57 4.113 7.997 -3.228 444 HD21 LEU 57 HD21 LEU 57 6.400 6.462 -5.165 445 HD22 LEU 57 HD22 LEU 57 5.849 8.108 -4.826 446 HD23 LEU 57 HD23 LEU 57 5.569 7.391 -6.415 447 H ASN 58 HN ASN 58 3.322 3.290 -6.888 448 HA ASN 58 HA ASN 58 1.193 4.409 -8.321 449 HB2 ASN 58 HB2 ASN 58 3.239 3.218 -9.256 450 HB3 ASN 58 HB1 ASN 58 2.437 1.707 -8.853 451 HD21 ASN 58 HD21 ASN 58 3.261 2.785 -11.431 452 HD22 ASN 58 HD22 ASN 58 1.838 2.838 -12.412 453 H PHE 59 HN PHE 59 1.484 1.427 -6.438 454 HA PHE 59 HA PHE 59 -1.004 0.293 -7.055 455 HB2 PHE 59 HB2 PHE 59 0.743 -0.940 -5.852 456 HB3 PHE 59 HB1 PHE 59 0.613 0.161 -4.490 457 HD1 PHE 59 HD1 PHE 59 -0.510 -2.888 -5.919 458 HD2 PHE 59 HD2 PHE 59 -1.637 0.216 -3.233 459 HE1 PHE 59 HE1 PHE 59 -2.158 -4.387 -4.876 460 HE2 PHE 59 HE2 PHE 59 -3.294 -1.274 -2.194 461 HZ PHE 59 HZ PHE 59 -3.553 -3.582 -3.014 462 H ALA 60 HN ALA 60 -0.019 2.658 -4.645 463 HA ALA 60 HA ALA 60 -2.507 2.746 -3.275 464 HB1 ALA 60 HB1 ALA 60 -0.307 4.797 -3.395 465 HB2 ALA 60 HB2 ALA 60 -0.402 3.448 -2.262 466 HB3 ALA 60 HB3 ALA 60 -1.607 4.733 -2.204 467 H LYS 61 HN LYS 61 -1.076 4.806 -5.786 468 HA LYS 61 HA LYS 61 -3.275 6.583 -5.864 469 HB2 LYS 61 HB2 LYS 61 -2.229 7.549 -7.814 470 HB3 LYS 61 HB1 LYS 61 -1.101 7.347 -6.483 471 HG2 LYS 61 HG2 LYS 61 0.151 6.594 -8.159 472 HG3 LYS 61 HG1 LYS 61 -0.603 5.078 -7.710 473 HD2 LYS 61 HD2 LYS 61 -0.960 5.032 -9.975 474 HD3 LYS 61 HD1 LYS 61 -2.421 5.863 -9.430 475 HE2 LYS 61 HE2 LYS 61 0.076 7.202 -10.478 476 HE3 LYS 61 HE1 LYS 61 -1.406 6.947 -11.394 477 HZ1 LYS 61 HZ1 LYS 61 -1.115 8.627 -8.965 478 HZ2 LYS 61 HZ2 LYS 61 -2.569 8.353 -9.783 479 HZ3 LYS 61 HZ3 LYS 61 -1.313 9.185 -10.548 480 H LYS 62 HN LYS 62 -2.590 3.592 -7.301 481 HA LYS 62 HA LYS 62 -4.393 3.838 -9.523 482 HB2 LYS 62 HB2 LYS 62 -2.345 2.506 -9.658 483 HB3 LYS 62 HB1 LYS 62 -2.924 1.490 -8.343 484 HG2 LYS 62 HG2 LYS 62 -4.690 0.625 -9.741 485 HG3 LYS 62 HG1 LYS 62 -4.233 1.722 -11.049 486 HD2 LYS 62 HD2 LYS 62 -3.345 -0.507 -11.463 487 HD3 LYS 62 HD1 LYS 62 -2.031 0.632 -11.174 488 HE2 LYS 62 HE2 LYS 62 -1.958 -0.148 -8.812 489 HE3 LYS 62 HE1 LYS 62 -3.159 -1.371 -9.219 490 HZ1 LYS 62 HZ1 LYS 62 -0.964 -2.315 -9.287 491 HZ2 LYS 62 HZ2 LYS 62 -0.428 -1.129 -10.360 492 HZ3 LYS 62 HZ3 LYS 62 -1.579 -2.260 -10.860 493 H HIS 63 HN HIS 63 -4.341 2.023 -6.497 494 HA HIS 63 HA HIS 63 -6.680 0.560 -7.052 495 HB2 HIS 63 HB2 HIS 63 -6.328 -0.463 -5.046 496 HB3 HIS 63 HB1 HIS 63 -4.744 0.250 -5.280 497 HD1 HIS 63 HD1 HIS 63 -7.490 0.085 -2.917 498 HD2 HIS 63 HD2 HIS 63 -4.381 2.704 -3.777 499 HE1 HIS 63 HE1 HIS 63 -7.261 1.543 -0.885 500 HE2 HIS 63 HE2 HIS 63 -5.510 3.244 -1.496 501 H TYR 64 HN TYR 64 -6.171 3.713 -5.683 502 HA TYR 64 HA TYR 64 -9.046 3.780 -5.012 503 HB2 TYR 64 HB2 TYR 64 -8.650 5.680 -3.559 504 HB3 TYR 64 HB1 TYR 64 -7.664 4.312 -3.081 505 HD1 TYR 64 HD1 TYR 64 -7.019 6.942 -5.677 506 HD2 TYR 64 HD2 TYR 64 -5.847 5.219 -1.975 507 HE1 TYR 64 HE1 TYR 64 -5.068 8.425 -5.614 508 HE2 TYR 64 HE2 TYR 64 -3.882 6.684 -1.911 509 HH TYR 64 HH TYR 64 -3.552 9.377 -3.919 510 H ASN 65 HN ASN 65 -9.681 6.348 -4.986 511 HA ASN 65 HA ASN 65 -10.443 8.038 -6.260 512 HB2 ASN 65 HB2 ASN 65 -7.993 8.586 -6.287 513 HB3 ASN 65 HB1 ASN 65 -7.872 7.746 -7.827 514 HD21 ASN 65 HD21 ASN 65 -9.320 10.475 -6.168 515 HD22 ASN 65 HD22 ASN 65 -9.578 11.436 -7.582 516 H TYR 66 HN TYR 66 -11.591 5.763 -6.826 517 HA TYR 66 HA TYR 66 -11.720 5.635 -9.755 518 HB2 TYR 66 HB2 TYR 66 -13.213 3.570 -9.213 519 HB3 TYR 66 HB1 TYR 66 -11.469 3.436 -9.057 520 HD1 TYR 66 HD1 TYR 66 -14.657 3.499 -7.246 521 HD2 TYR 66 HD2 TYR 66 -10.427 3.242 -6.867 522 HE1 TYR 66 HE1 TYR 66 -14.915 2.700 -4.931 523 HE2 TYR 66 HE2 TYR 66 -10.675 2.447 -4.556 524 HH TYR 66 HH TYR 66 -13.612 1.379 -3.282 525 H GLU 67 HN GLU 67 -13.160 6.934 -10.618 526 HA GLU 67 HA GLU 67 -15.396 7.959 -9.135 527 HB2 GLU 67 HB2 GLU 67 -14.846 8.221 -12.097 528 HB3 GLU 67 HB1 GLU 67 -15.901 9.237 -11.123 529 HG2 GLU 67 HG2 GLU 67 -13.926 9.989 -9.843 530 HG3 GLU 67 HG1 GLU 67 -12.905 9.048 -10.928 531 H GLN 68 HN GLN 68 -14.821 5.509 -11.529 532 HA GLN 68 HA GLN 68 -17.511 4.467 -11.033 533 HB2 GLN 68 HB2 GLN 68 -17.149 5.721 -13.333 534 HB3 GLN 68 HB1 GLN 68 -16.332 4.234 -13.783 535 HG2 GLN 68 HG2 GLN 68 -19.145 4.318 -12.728 536 HG3 GLN 68 HG1 GLN 68 -18.748 4.409 -14.439 537 HE21 GLN 68 HE21 GLN 68 -16.560 2.525 -14.292 538 HE22 GLN 68 HE22 GLN 68 -17.269 0.963 -14.069 539 HA PRO 69 HA PRO 69 -14.394 1.291 -10.195 540 HB2 PRO 69 HB2 PRO 69 -15.923 -0.153 -8.487 541 HB3 PRO 69 HB1 PRO 69 -15.057 1.307 -7.997 542 HG2 PRO 69 HG2 PRO 69 -17.942 0.956 -8.690 543 HG3 PRO 69 HG1 PRO 69 -17.207 1.928 -7.403 544 HD2 PRO 69 HD2 PRO 69 -18.091 2.974 -9.764 545 HD3 PRO 69 HD1 PRO 69 -16.777 3.688 -8.810 546 H PHE 70 HN PHE 70 -14.051 -0.510 -11.321 547 HA PHE 70 HA PHE 70 -16.146 -1.629 -12.957 548 HB2 PHE 70 HB2 PHE 70 -13.265 -2.492 -12.590 549 HB3 PHE 70 HB1 PHE 70 -14.364 -3.093 -13.821 550 HD1 PHE 70 HD1 PHE 70 -15.232 -1.463 -15.553 551 HD2 PHE 70 HD2 PHE 70 -11.990 -0.577 -12.948 552 HE1 PHE 70 HE1 PHE 70 -14.492 0.309 -17.088 553 HE2 PHE 70 HE2 PHE 70 -11.245 1.201 -14.474 554 HZ PHE 70 HZ PHE 70 -12.497 1.647 -16.548 555 H LYS 71 HN LYS 71 -17.321 -2.144 -10.837 556 HA LYS 71 HA LYS 71 -16.340 -4.226 -9.177 557 HB2 LYS 71 HB2 LYS 71 -19.085 -3.048 -9.556 558 HB3 LYS 71 HB1 LYS 71 -18.766 -4.339 -8.413 559 HG2 LYS 71 HG2 LYS 71 -17.550 -1.585 -8.388 560 HG3 LYS 71 HG1 LYS 71 -18.778 -2.206 -7.285 561 HD2 LYS 71 HD2 LYS 71 -17.144 -3.953 -6.566 562 HD3 LYS 71 HD1 LYS 71 -15.924 -3.144 -7.548 563 HE2 LYS 71 HE2 LYS 71 -15.670 -2.432 -5.275 564 HE3 LYS 71 HE1 LYS 71 -16.299 -1.081 -6.217 565 HZ1 LYS 71 HZ1 LYS 71 -18.515 -1.583 -5.375 566 HZ2 LYS 71 HZ2 LYS 71 -17.442 -1.279 -4.105 567 HZ3 LYS 71 HZ3 LYS 71 -17.899 -2.868 -4.463 568 H HIS 72 HN HIS 72 -19.136 -4.275 -11.374 569 HA HIS 72 HA HIS 72 -20.148 -5.947 -12.524 570 HB2 HIS 72 HB2 HIS 72 -17.279 -6.821 -12.882 571 HB3 HIS 72 HB1 HIS 72 -18.638 -7.405 -13.838 572 HD1 HIS 72 HD1 HIS 72 -16.001 -5.059 -14.034 573 HD2 HIS 72 HD2 HIS 72 -20.021 -4.983 -15.089 574 HE1 HIS 72 HE1 HIS 72 -16.237 -3.171 -15.671 575 HE2 HIS 72 HE2 HIS 72 -18.701 -3.033 -16.152 576 H ILE 73 HN ILE 73 -21.131 -6.732 -10.592 577 HA ILE 73 HA ILE 73 -21.810 -8.372 -9.177 578 HB ILE 73 HB ILE 73 -19.832 -10.178 -10.590 579 HG12 ILE 73 HG12 ILE 73 -22.780 -9.783 -11.151 580 HG13 ILE 73 HG11 ILE 73 -21.479 -9.116 -12.131 581 HG21 ILE 73 HG21 ILE 73 -20.592 -11.060 -8.449 582 HG22 ILE 73 HG22 ILE 73 -21.268 -11.993 -9.784 583 HG23 ILE 73 HG23 ILE 73 -22.271 -10.818 -8.933 584 HD11 ILE 73 HD11 ILE 73 -22.394 -11.115 -13.142 585 HD12 ILE 73 HD12 ILE 73 -22.038 -12.038 -11.682 586 HD13 ILE 73 HD13 ILE 73 -20.721 -11.379 -12.652 587 H ASN 74 HN ASN 74 -20.751 -6.993 -7.608 588 HA ASN 74 HA ASN 74 -18.155 -7.908 -6.631 589 HB2 ASN 74 HB2 ASN 74 -18.608 -5.470 -6.914 590 HB3 ASN 74 HB1 ASN 74 -19.859 -5.589 -5.687 591 HD21 ASN 74 HD21 ASN 74 -16.778 -7.277 -5.588 592 HD22 ASN 74 HD22 ASN 74 -16.145 -6.406 -4.235
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