NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
5806 | 1hz8 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 1 H GLY 1 -24.350 -7.070 3.964 2 1HA GLY 1 2HA GLY 1 -24.635 -6.062 1.762 3 2HA GLY 1 1HA GLY 1 -26.334 -5.806 2.144 4 H THR 2 H THR 2 -26.894 -3.886 2.819 5 HA THR 2 HA THR 2 -26.832 -1.614 3.117 6 HB THR 2 HB THR 2 -26.971 -2.676 5.320 7 HG1 THR 2 1HG THR 2 -26.982 -0.367 4.961 8 1HG2 THR 2 1HG2 THR 2 -24.576 -3.529 5.487 9 2HG2 THR 2 2HG2 THR 2 -25.005 -2.501 6.840 10 3HG2 THR 2 3HG2 THR 2 -24.022 -1.863 5.526 11 H ASN 3 H ASN 3 -25.390 0.266 4.047 12 HA ASN 3 HA ASN 3 -22.872 0.351 2.453 13 1HB ASN 3 2HB ASN 3 -24.872 1.712 1.726 14 2HB ASN 3 1HB ASN 3 -24.756 2.611 3.219 15 1HD2 ASN 3 1HD2 ASN 3 -24.493 4.070 0.910 16 2HD2 ASN 3 2HD2 ASN 3 -22.884 4.569 0.700 17 H GLU 4 H GLU 4 -22.031 -0.674 4.533 18 HA GLU 4 HA GLU 4 -21.925 0.951 6.921 19 1HB GLU 4 2HB GLU 4 -20.528 -0.780 7.805 20 2HB GLU 4 1HB GLU 4 -21.818 -1.550 6.944 21 1HG GLU 4 2HG GLU 4 -18.981 -1.219 5.891 22 2HG GLU 4 1HG GLU 4 -19.601 -2.669 6.626 23 H CYS 5 H CYS 5 -20.550 1.415 4.036 24 HA CYS 5 HA CYS 5 -17.849 1.978 4.620 25 1HB CYS 5 2HB CYS 5 -19.621 2.996 2.424 26 2HB CYS 5 1HB CYS 5 -17.894 3.093 2.456 27 H LEU 6 H LEU 6 -20.759 3.794 4.447 28 HA LEU 6 HA LEU 6 -20.225 6.433 4.430 29 1HB LEU 6 2HB LEU 6 -22.110 5.033 6.348 30 2HB LEU 6 1HB LEU 6 -22.202 6.717 5.888 31 HG LEU 6 HG LEU 6 -22.480 4.368 3.963 32 1HD1 LEU 6 1HD1 LEU 6 -24.546 6.303 5.069 33 2HD1 LEU 6 2HD1 LEU 6 -24.398 4.604 5.495 34 3HD1 LEU 6 3HD1 LEU 6 -24.854 5.063 3.861 35 1HD2 LEU 6 1HD2 LEU 6 -21.555 6.432 2.844 36 2HD2 LEU 6 2HD2 LEU 6 -22.890 7.365 3.497 37 3HD2 LEU 6 3HD2 LEU 6 -23.190 6.106 2.315 38 H ASP 7 H ASP 7 -20.330 4.704 7.497 39 HA ASP 7 HA ASP 7 -18.801 6.878 8.857 40 1HB ASP 7 2HB ASP 7 -20.933 5.826 9.876 41 2HB ASP 7 1HB ASP 7 -20.024 4.323 9.962 42 H ASN 8 H ASN 8 -17.545 5.247 10.714 43 HA ASN 8 HA ASN 8 -15.050 4.704 9.725 44 1HB ASN 8 2HB ASN 8 -16.521 3.287 11.816 45 2HB ASN 8 1HB ASN 8 -14.776 3.266 11.713 46 1HD2 ASN 8 1HD2 ASN 8 -13.774 5.596 11.679 47 2HD2 ASN 8 2HD2 ASN 8 -14.480 6.734 12.722 48 H ASN 9 H ASN 9 -14.394 3.295 8.188 49 HA ASN 9 HA ASN 9 -15.742 1.595 6.584 50 1HB ASN 9 2HB ASN 9 -13.363 2.108 6.293 51 2HB ASN 9 1HB ASN 9 -12.958 1.153 7.700 52 1HD2 ASN 9 1HD2 ASN 9 -11.505 0.034 6.074 53 2HD2 ASN 9 2HD2 ASN 9 -12.171 -1.243 5.183 54 H GLY 10 H GLY 10 -17.441 0.609 7.819 55 1HA GLY 10 2HA GLY 10 -18.502 -1.187 8.834 56 2HA GLY 10 1HA GLY 10 -17.147 -2.130 8.234 57 H GLY 11 H GLY 11 -16.032 0.303 10.170 58 1HA GLY 11 2HA GLY 11 -16.279 0.116 12.776 59 2HA GLY 11 1HA GLY 11 -15.544 -1.467 12.501 60 H CYS 12 H CYS 12 -13.850 -0.767 10.396 61 HA CYS 12 HA CYS 12 -11.653 0.575 11.810 62 1HB CYS 12 2HB CYS 12 -10.329 -0.411 9.981 63 2HB CYS 12 1HB CYS 12 -11.389 -1.598 10.709 64 H SER 13 H SER 13 -10.528 1.250 9.053 65 HA SER 13 HA SER 13 -12.240 3.310 7.961 66 1HB SER 13 2HB SER 13 -10.741 5.250 8.665 67 2HB SER 13 1HB SER 13 -11.454 4.453 10.074 68 HG SER 13 HG SER 13 -8.927 3.859 8.918 69 H HIS 14 H HIS 14 -10.968 1.117 6.887 70 HA HIS 14 HA HIS 14 -8.839 2.230 5.150 71 1HB HIS 14 2HB HIS 14 -9.641 -0.647 5.830 72 2HB HIS 14 1HB HIS 14 -8.302 -0.169 4.815 73 HD1 HIS 14 1HD HIS 14 -8.032 -1.705 7.540 74 HD2 HIS 14 2HD HIS 14 -7.340 2.293 7.084 75 HE1 HIS 14 1HE HIS 14 -6.555 -1.038 9.400 76 H VAL 15 H VAL 15 -10.047 -0.496 3.829 77 HA VAL 15 HA VAL 15 -11.976 0.956 2.088 78 HB VAL 15 HB VAL 15 -9.870 0.124 1.103 79 1HG1 VAL 15 1HG1 VAL 15 -9.507 -2.276 0.717 80 2HG1 VAL 15 2HG1 VAL 15 -10.858 -2.665 1.753 81 3HG1 VAL 15 3HG1 VAL 15 -9.452 -1.853 2.421 82 1HG2 VAL 15 1HG2 VAL 15 -10.953 -1.061 -0.866 83 2HG2 VAL 15 2HG2 VAL 15 -11.915 0.313 -0.344 84 3HG2 VAL 15 3HG2 VAL 15 -12.394 -1.316 0.104 85 H CYS 16 H CYS 16 -14.009 0.336 2.120 86 HA CYS 16 HA CYS 16 -14.876 -1.895 3.805 87 1HB CYS 16 2HB CYS 16 -17.090 -0.962 3.318 88 2HB CYS 16 1HB CYS 16 -16.009 0.287 3.863 89 H ASN 17 H ASN 17 -14.284 -3.789 2.831 90 HA ASN 17 HA ASN 17 -15.130 -4.230 0.015 91 1HB ASN 17 2HB ASN 17 -12.895 -4.876 0.588 92 2HB ASN 17 1HB ASN 17 -13.390 -5.713 2.026 93 1HD2 ASN 17 1HD2 ASN 17 -13.681 -7.933 1.733 94 2HD2 ASN 17 2HD2 ASN 17 -13.899 -8.702 0.239 95 H ASP 18 H ASP 18 -17.057 -3.913 0.543 96 HA ASP 18 HA ASP 18 -18.812 -4.862 2.446 97 1HB ASP 18 2HB ASP 18 -19.349 -3.086 0.840 98 2HB ASP 18 1HB ASP 18 -19.415 -4.254 -0.469 99 H LEU 19 H LEU 19 -18.411 -6.936 2.957 100 HA LEU 19 HA LEU 19 -18.727 -9.180 1.239 101 1HB LEU 19 2HB LEU 19 -17.476 -8.849 3.549 102 2HB LEU 19 1HB LEU 19 -19.057 -9.008 4.250 103 HG LEU 19 HG LEU 19 -19.325 -11.277 3.281 104 1HD1 LEU 19 1HD1 LEU 19 -17.295 -12.302 2.266 105 2HD1 LEU 19 2HD1 LEU 19 -16.440 -10.772 2.456 106 3HD1 LEU 19 3HD1 LEU 19 -17.780 -10.900 1.333 107 1HD2 LEU 19 1HD2 LEU 19 -17.707 -12.325 4.837 108 2HD2 LEU 19 2HD2 LEU 19 -18.438 -10.906 5.554 109 3HD2 LEU 19 3HD2 LEU 19 -16.805 -10.815 4.923 110 H LYS 20 H LYS 20 -20.531 -10.859 1.899 111 HA LYS 20 HA LYS 20 -23.083 -9.535 1.516 112 1HB LYS 20 2HB LYS 20 -23.992 -11.852 1.597 113 2HB LYS 20 1HB LYS 20 -22.587 -11.752 0.555 114 1HG LYS 20 2HG LYS 20 -21.165 -12.714 2.391 115 2HG LYS 20 1HG LYS 20 -22.581 -12.825 3.418 116 1HD LYS 20 2HD LYS 20 -22.141 -15.003 2.436 117 2HD LYS 20 1HD LYS 20 -23.664 -14.376 1.841 118 1HE LYS 20 2HE LYS 20 -22.548 -13.675 -0.285 119 2HE LYS 20 1HE LYS 20 -21.014 -14.280 0.328 120 1HZ LYS 20 1HZ LYS 20 -21.616 -16.158 -0.645 121 2HZ LYS 20 2HZ LYS 20 -23.242 -15.691 -0.785 122 3HZ LYS 20 3HZ LYS 20 -22.679 -16.377 0.661 123 H ILE 21 H ILE 21 -21.464 -11.266 4.140 124 HA ILE 21 HA ILE 21 -22.914 -9.764 6.197 125 HB ILE 21 HB ILE 21 -22.765 -12.804 5.993 126 1HG1 ILE 21 2HG1 ILE 21 -25.200 -10.955 5.942 127 2HG1 ILE 21 1HG1 ILE 21 -24.572 -11.853 4.575 128 1HG2 ILE 21 1HG2 ILE 21 -23.886 -11.030 8.198 129 2HG2 ILE 21 2HG2 ILE 21 -22.428 -12.008 8.308 130 3HG2 ILE 21 3HG2 ILE 21 -23.989 -12.788 8.179 131 1HD1 ILE 21 1HD1 ILE 21 -25.723 -13.137 7.077 132 2HD1 ILE 21 2HD1 ILE 21 -25.059 -13.992 5.693 133 3HD1 ILE 21 3HD1 ILE 21 -26.506 -13.014 5.517 134 H GLY 22 H GLY 22 -21.150 -8.856 7.178 135 1HA GLY 22 2HA GLY 22 -19.398 -9.040 8.773 136 2HA GLY 22 1HA GLY 22 -18.971 -10.565 8.047 137 H TYR 23 H TYR 23 -19.534 -7.462 6.697 138 HA TYR 23 HA TYR 23 -17.849 -7.105 4.610 139 1HB TYR 23 2HB TYR 23 -17.979 -4.887 6.637 140 2HB TYR 23 1HB TYR 23 -17.999 -4.783 4.884 141 HD1 TYR 23 1HD TYR 23 -20.042 -6.030 3.666 142 HD2 TYR 23 2HD TYR 23 -20.025 -4.881 7.755 143 HE1 TYR 23 1HE TYR 23 -22.483 -6.191 3.723 144 HE2 TYR 23 2HE TYR 23 -22.469 -5.039 7.814 145 HH TYR 23 HH TYR 23 -24.244 -6.637 5.614 146 H GLU 24 H GLU 24 -15.763 -6.240 4.200 147 HA GLU 24 HA GLU 24 -13.833 -6.827 6.370 148 1HB GLU 24 2HB GLU 24 -13.473 -6.969 3.403 149 2HB GLU 24 1HB GLU 24 -12.318 -7.402 4.619 150 1HG GLU 24 2HG GLU 24 -13.976 -9.071 5.504 151 2HG GLU 24 1HG GLU 24 -15.044 -8.609 4.179 152 H CYS 25 H CYS 25 -11.893 -5.947 6.393 153 HA CYS 25 HA CYS 25 -11.614 -3.158 5.689 154 1HB CYS 25 2HB CYS 25 -10.808 -4.759 8.116 155 2HB CYS 25 1HB CYS 25 -10.140 -3.189 7.816 156 H LEU 26 H LEU 26 -10.748 -4.239 3.687 157 HA LEU 26 HA LEU 26 -8.215 -5.644 3.877 158 1HB LEU 26 2HB LEU 26 -9.354 -4.307 1.397 159 2HB LEU 26 1HB LEU 26 -8.298 -5.674 1.513 160 HG LEU 26 HG LEU 26 -11.202 -5.687 2.361 161 1HD1 LEU 26 1HD1 LEU 26 -11.487 -7.275 0.472 162 2HD1 LEU 26 2HD1 LEU 26 -9.823 -7.038 0.010 163 3HD1 LEU 26 3HD1 LEU 26 -10.955 -5.699 -0.081 164 1HD2 LEU 26 1HD2 LEU 26 -9.224 -7.988 2.397 165 2HD2 LEU 26 2HD2 LEU 26 -10.950 -8.102 2.712 166 3HD2 LEU 26 3HD2 LEU 26 -9.921 -7.205 3.810 167 H CYS 27 H CYS 27 -6.682 -4.448 1.989 168 HA CYS 27 HA CYS 27 -5.554 -2.227 3.448 169 1HB CYS 27 2HB CYS 27 -4.825 -3.528 0.846 170 2HB CYS 27 1HB CYS 27 -3.897 -2.262 1.577 171 HA PRO 28 HA PRO 28 -7.301 0.986 0.929 172 1HB PRO 28 2HB PRO 28 -5.369 2.958 1.502 173 2HB PRO 28 1HB PRO 28 -6.760 2.593 2.471 174 1HG PRO 28 2HG PRO 28 -4.031 2.133 3.123 175 2HG PRO 28 1HG PRO 28 -5.459 1.761 4.092 176 1HD PRO 28 2HD PRO 28 -3.776 -0.014 2.469 177 2HD PRO 28 1HD PRO 28 -4.912 -0.389 3.782 178 H ASP 29 H ASP 29 -3.826 1.422 0.842 179 HA ASP 29 HA ASP 29 -3.818 1.724 -2.092 180 1HB ASP 29 2HB ASP 29 -1.620 2.758 -1.661 181 2HB ASP 29 1HB ASP 29 -2.824 3.467 -0.613 182 H GLY 30 H GLY 30 -0.982 1.117 -2.165 183 1HA GLY 30 2HA GLY 30 -0.953 -1.460 -3.131 184 2HA GLY 30 1HA GLY 30 0.469 -0.538 -2.734 185 H PHE 31 H PHE 31 -0.151 -0.564 0.240 186 HA PHE 31 HA PHE 31 1.327 -2.813 0.963 187 1HB PHE 31 2HB PHE 31 -0.825 -1.355 2.545 188 2HB PHE 31 1HB PHE 31 0.408 -2.380 3.248 189 HD1 PHE 31 1HD PHE 31 -0.222 0.997 2.671 190 HD2 PHE 31 2HD PHE 31 2.779 -1.917 2.141 191 HE1 PHE 31 1HE PHE 31 1.480 2.774 2.570 192 HE2 PHE 31 2HE PHE 31 4.510 -0.166 2.048 193 HZ PHE 31 HZ PHE 31 3.876 2.162 2.284 194 H GLN 32 H GLN 32 0.759 -4.568 2.348 195 HA GLN 32 HA GLN 32 -1.503 -6.156 1.269 196 1HB GLN 32 2HB GLN 32 1.138 -6.958 2.514 197 2HB GLN 32 1HB GLN 32 -0.074 -8.056 1.907 198 1HG GLN 32 2HG GLN 32 0.190 -7.093 -0.384 199 2HG GLN 32 1HG GLN 32 1.370 -5.943 0.232 200 1HE2 GLN 32 1HE2 GLN 32 0.859 -9.298 -0.650 201 2HE2 GLN 32 2HE2 GLN 32 2.477 -9.785 -0.483 202 H LEU 33 H LEU 33 -2.985 -7.094 2.625 203 HA LEU 33 HA LEU 33 -3.016 -6.195 5.442 204 1HB LEU 33 2HB LEU 33 -5.104 -6.348 3.845 205 2HB LEU 33 1HB LEU 33 -5.026 -8.076 4.090 206 HG LEU 33 HG LEU 33 -5.020 -7.484 6.654 207 1HD1 LEU 33 1HD1 LEU 33 -6.142 -5.327 7.198 208 2HD1 LEU 33 2HD1 LEU 33 -6.087 -4.883 5.507 209 3HD1 LEU 33 3HD1 LEU 33 -4.596 -5.069 6.413 210 1HD2 LEU 33 1HD2 LEU 33 -7.563 -7.051 5.064 211 2HD2 LEU 33 2HD2 LEU 33 -7.474 -7.384 6.779 212 3HD2 LEU 33 3HD2 LEU 33 -6.939 -8.592 5.622 213 H VAL 34 H VAL 34 -0.898 -7.528 5.511 214 HA VAL 34 HA VAL 34 -1.163 -10.427 5.694 215 HB VAL 34 HB VAL 34 1.149 -8.588 6.458 216 1HG1 VAL 34 1HG1 VAL 34 1.331 -10.832 7.544 217 2HG1 VAL 34 2HG1 VAL 34 2.547 -10.641 6.298 218 3HG1 VAL 34 3HG1 VAL 34 1.114 -11.605 5.983 219 1HG2 VAL 34 1HG2 VAL 34 2.086 -9.249 4.255 220 2HG2 VAL 34 2HG2 VAL 34 0.545 -8.435 4.068 221 3HG2 VAL 34 3HG2 VAL 34 0.638 -10.181 3.910 222 H ALA 35 H ALA 35 -0.600 -7.824 8.003 223 HA ALA 35 HA ALA 35 -0.682 -9.567 10.255 224 1HB ALA 35 1HB ALA 35 -0.569 -6.554 10.023 225 2HB ALA 35 2HB ALA 35 0.781 -7.644 10.242 226 3HB ALA 35 3HB ALA 35 -0.384 -7.428 11.536 227 H GLN 36 H GLN 36 -2.965 -10.120 9.181 228 HA GLN 36 HA GLN 36 -5.194 -10.459 9.547 229 1HB GLN 36 2HB GLN 36 -4.686 -8.979 12.180 230 2HB GLN 36 1HB GLN 36 -6.081 -9.971 11.811 231 1HG GLN 36 2HG GLN 36 -4.652 -11.962 11.506 232 2HG GLN 36 1HG GLN 36 -3.219 -11.002 11.849 233 1HE2 GLN 36 1HE2 GLN 36 -5.792 -12.789 13.292 234 2HE2 GLN 36 2HE2 GLN 36 -5.450 -12.387 14.905 235 H ARG 37 H ARG 37 -5.029 -7.287 11.141 236 HA ARG 37 HA ARG 37 -6.965 -6.214 9.112 237 1HB ARG 37 2HB ARG 37 -6.721 -5.469 12.061 238 2HB ARG 37 1HB ARG 37 -7.779 -4.679 10.921 239 1HG ARG 37 2HG ARG 37 -9.081 -6.187 12.298 240 2HG ARG 37 1HG ARG 37 -9.078 -6.774 10.650 241 1HD ARG 37 2HD ARG 37 -7.496 -8.515 11.191 242 2HD ARG 37 1HD ARG 37 -7.223 -7.887 12.811 243 HE ARG 37 HE ARG 37 -9.525 -9.433 11.828 244 1HH1 ARG 37 2HH1 ARG 37 -8.270 -7.346 14.299 245 2HH1 ARG 37 1HH1 ARG 37 -9.417 -7.874 15.482 246 1HH2 ARG 37 1HH2 ARG 37 -10.987 -10.111 13.315 247 2HH2 ARG 37 2HH2 ARG 37 -10.978 -9.458 14.918 248 H ARG 38 H ARG 38 -3.960 -5.983 10.531 249 HA ARG 38 HA ARG 38 -3.503 -3.111 9.989 250 1HB ARG 38 2HB ARG 38 -2.621 -4.122 12.052 251 2HB ARG 38 1HB ARG 38 -1.731 -5.314 11.143 252 1HG ARG 38 2HG ARG 38 -0.410 -3.406 10.077 253 2HG ARG 38 1HG ARG 38 -1.275 -2.290 11.119 254 1HD ARG 38 2HD ARG 38 0.469 -4.610 12.068 255 2HD ARG 38 1HD ARG 38 0.937 -2.921 12.121 256 HE ARG 38 HE ARG 38 -0.988 -4.268 13.894 257 1HH1 ARG 38 2HH1 ARG 38 0.291 -1.262 12.727 258 2HH1 ARG 38 1HH1 ARG 38 -0.257 -0.371 14.105 259 1HH2 ARG 38 1HH2 ARG 38 -1.692 -3.159 15.636 260 2HH2 ARG 38 2HH2 ARG 38 -1.399 -1.458 15.776 261 H CYS 39 H CYS 39 -3.055 -2.588 7.936 262 HA CYS 39 HA CYS 39 -1.822 -4.598 6.144 263 1HB CYS 39 2HB CYS 39 -3.823 -3.351 5.363 264 2HB CYS 39 1HB CYS 39 -2.921 -1.860 5.483 265 H GLU 40 H GLU 40 0.144 -4.467 5.319 266 HA GLU 40 HA GLU 40 1.736 -2.042 5.196 267 1HB GLU 40 2HB GLU 40 2.051 -2.735 7.605 268 2HB GLU 40 1HB GLU 40 2.604 -4.313 7.072 269 1HG GLU 40 2HG GLU 40 4.521 -3.254 5.881 270 2HG GLU 40 1HG GLU 40 3.907 -1.679 6.321 271 H ASP 41 H ASP 41 3.825 -2.472 4.159 272 HA ASP 41 HA ASP 41 3.590 -4.420 2.018 273 1HB ASP 41 2HB ASP 41 4.537 -2.213 1.511 274 2HB ASP 41 1HB ASP 41 5.744 -2.393 2.755 275 H ILE 42 H ILE 42 5.392 -5.786 1.441 276 HA ILE 42 HA ILE 42 6.038 -7.609 3.496 277 HB ILE 42 HB ILE 42 5.924 -8.264 1.078 278 1HG1 ILE 42 2HG1 ILE 42 8.701 -8.756 2.274 279 2HG1 ILE 42 1HG1 ILE 42 7.262 -9.665 2.684 280 1HG2 ILE 42 1HG2 ILE 42 7.776 -7.622 -0.479 281 2HG2 ILE 42 2HG2 ILE 42 8.517 -6.656 0.781 282 3HG2 ILE 42 3HG2 ILE 42 6.959 -6.202 0.120 283 1HD1 ILE 42 1HD1 ILE 42 8.537 -9.533 -0.086 284 2HD1 ILE 42 2HD1 ILE 42 7.086 -10.435 0.321 285 3HD1 ILE 42 3HD1 ILE 42 8.630 -10.879 1.029 286 H ASP 43 H ASP 43 8.173 -8.025 4.463 287 HA ASP 43 HA ASP 43 9.633 -5.530 4.962 288 1HB ASP 43 2HB ASP 43 9.126 -7.173 6.799 289 2HB ASP 43 1HB ASP 43 10.203 -8.326 6.036 290 H GLU 44 H GLU 44 10.891 -4.915 3.354 291 HA GLU 44 HA GLU 44 12.519 -6.799 1.830 292 1HB GLU 44 2HB GLU 44 13.199 -4.777 0.553 293 2HB GLU 44 1HB GLU 44 11.470 -4.956 0.637 294 1HG GLU 44 2HG GLU 44 12.999 -3.110 2.518 295 2HG GLU 44 1HG GLU 44 12.323 -2.607 0.988 296 H CYS 45 H CYS 45 12.993 -5.043 4.787 297 HA CYS 45 HA CYS 45 15.730 -4.438 4.429 298 1HB CYS 45 2HB CYS 45 14.013 -4.786 6.877 299 2HB CYS 45 1HB CYS 45 15.692 -4.451 7.004 300 H GLN 46 H GLN 46 14.245 -6.689 6.576 301 HA GLN 46 HA GLN 46 16.287 -8.321 7.365 302 1HB GLN 46 2HB GLN 46 13.422 -9.089 6.685 303 2HB GLN 46 1HB GLN 46 14.493 -10.072 7.645 304 1HG GLN 46 2HG GLN 46 13.612 -7.225 8.344 305 2HG GLN 46 1HG GLN 46 12.970 -8.681 9.083 306 1HE2 GLN 46 1HE2 GLN 46 14.578 -10.036 10.328 307 2HE2 GLN 46 2HE2 GLN 46 15.889 -9.257 11.073 308 H ASP 47 H ASP 47 14.419 -8.577 4.438 309 HA ASP 47 HA ASP 47 15.745 -10.907 3.475 310 1HB ASP 47 2HB ASP 47 13.398 -10.420 2.842 311 2HB ASP 47 1HB ASP 47 13.902 -8.928 2.067 312 HA PRO 48 HA PRO 48 19.144 -8.511 1.787 313 1HB PRO 48 2HB PRO 48 20.345 -10.419 0.256 314 2HB PRO 48 1HB PRO 48 20.399 -10.471 2.000 315 1HG PRO 48 2HG PRO 48 18.578 -11.964 0.157 316 2HG PRO 48 1HG PRO 48 19.460 -12.549 1.578 317 1HD PRO 48 2HD PRO 48 16.832 -11.894 1.642 318 2HD PRO 48 1HD PRO 48 17.900 -11.727 3.047 319 H ASP 49 H ASP 49 17.690 -7.141 0.693 320 HA ASP 49 HA ASP 49 17.802 -7.409 -2.249 321 1HB ASP 49 2HB ASP 49 15.596 -8.273 -1.600 322 2HB ASP 49 1HB ASP 49 15.307 -6.853 -0.608 323 H THR 50 H THR 50 17.127 -5.381 0.546 324 HA THR 50 HA THR 50 17.219 -2.895 -0.893 325 HB THR 50 HB THR 50 17.260 -1.969 1.514 326 HG1 THR 50 1HG THR 50 16.824 -3.827 2.991 327 1HG2 THR 50 1HG2 THR 50 15.085 -2.540 0.349 328 2HG2 THR 50 2HG2 THR 50 15.025 -2.841 2.081 329 3HG2 THR 50 3HG2 THR 50 15.234 -4.176 0.953 330 H CYS 51 H CYS 51 19.267 -2.955 1.935 331 HA CYS 51 HA CYS 51 21.545 -2.187 0.187 332 1HB CYS 51 2HB CYS 51 20.898 -1.614 3.066 333 2HB CYS 51 1HB CYS 51 22.283 -1.043 2.169 334 H SER 52 H SER 52 23.762 -2.555 1.384 335 HA SER 52 HA SER 52 24.014 -5.464 1.716 336 1HB SER 52 2HB SER 52 25.621 -4.182 0.289 337 2HB SER 52 1HB SER 52 26.131 -3.252 1.705 338 HG SER 52 HG SER 52 27.426 -4.857 2.033 339 H GLN 53 H GLN 53 23.144 -3.144 3.739 340 HA GLN 53 HA GLN 53 24.277 -4.502 6.116 341 1HB GLN 53 2HB GLN 53 24.243 -1.818 6.914 342 2HB GLN 53 1HB GLN 53 25.615 -2.738 6.444 343 1HG GLN 53 2HG GLN 53 25.493 -0.563 5.325 344 2HG GLN 53 1HG GLN 53 25.317 -1.810 4.119 345 1HE2 GLN 53 1HE2 GLN 53 22.316 -1.576 5.711 346 2HE2 GLN 53 2HE2 GLN 53 21.583 -0.500 4.631 347 H LEU 54 H LEU 54 23.337 -2.803 7.994 348 HA LEU 54 HA LEU 54 20.886 -3.879 8.675 349 1HB LEU 54 2HB LEU 54 22.530 -3.119 10.198 350 2HB LEU 54 1HB LEU 54 22.584 -1.520 9.508 351 HG LEU 54 HG LEU 54 20.062 -2.540 10.895 352 1HD1 LEU 54 1HD1 LEU 54 22.463 -0.988 11.996 353 2HD1 LEU 54 2HD1 LEU 54 22.096 -2.661 12.397 354 3HD1 LEU 54 3HD1 LEU 54 20.992 -1.379 12.886 355 1HD2 LEU 54 1HD2 LEU 54 20.046 -0.377 9.441 356 2HD2 LEU 54 2HD2 LEU 54 21.364 0.183 10.434 357 3HD2 LEU 54 3HD2 LEU 54 19.770 -0.069 11.139 358 H CYS 55 H CYS 55 18.939 -2.832 9.060 359 HA CYS 55 HA CYS 55 18.136 -0.451 7.572 360 1HB CYS 55 2HB CYS 55 18.296 -2.119 5.785 361 2HB CYS 55 1HB CYS 55 17.358 -3.260 6.636 362 H VAL 56 H VAL 56 15.634 -0.355 7.635 363 HA VAL 56 HA VAL 56 14.455 -1.569 10.052 364 HB VAL 56 HB VAL 56 15.562 0.460 10.913 365 1HG1 VAL 56 1HG1 VAL 56 15.733 1.807 8.838 366 2HG1 VAL 56 2HG1 VAL 56 14.999 2.732 10.131 367 3HG1 VAL 56 3HG1 VAL 56 14.003 2.094 8.846 368 1HG2 VAL 56 1HG2 VAL 56 13.594 1.646 11.859 369 2HG2 VAL 56 2HG2 VAL 56 13.378 -0.096 11.893 370 3HG2 VAL 56 3HG2 VAL 56 12.554 0.868 10.677 371 H ASN 57 H ASN 57 12.817 -2.466 9.223 372 HA ASN 57 HA ASN 57 11.301 -1.453 6.950 373 1HB ASN 57 2HB ASN 57 11.866 -3.830 7.086 374 2HB ASN 57 1HB ASN 57 11.007 -3.935 8.616 375 1HD2 ASN 57 1HD2 ASN 57 9.165 -5.128 8.265 376 2HD2 ASN 57 2HD2 ASN 57 8.080 -4.882 6.983 377 H LEU 58 H LEU 58 9.186 -1.434 6.815 378 HA LEU 58 HA LEU 58 7.104 -1.420 8.691 379 1HB LEU 58 2HB LEU 58 6.652 0.970 9.085 380 2HB LEU 58 1HB LEU 58 8.197 0.563 9.732 381 HG LEU 58 HG LEU 58 7.958 1.875 7.003 382 1HD1 LEU 58 1HD1 LEU 58 6.941 3.341 8.813 383 2HD1 LEU 58 2HD1 LEU 58 8.454 4.007 8.225 384 3HD1 LEU 58 3HD1 LEU 58 8.405 3.163 9.765 385 1HD2 LEU 58 1HD2 LEU 58 10.289 2.510 7.555 386 2HD2 LEU 58 2HD2 LEU 58 10.103 0.777 7.555 387 3HD2 LEU 58 3HD2 LEU 58 10.171 1.656 9.075 388 H GLU 59 H GLU 59 5.718 0.744 7.635 389 HA GLU 59 HA GLU 59 4.833 -0.379 5.089 390 1HB GLU 59 2HB GLU 59 3.251 0.241 6.939 391 2HB GLU 59 1HB GLU 59 3.759 1.911 6.829 392 1HG GLU 59 2HG GLU 59 2.799 2.041 4.586 393 2HG GLU 59 1HG GLU 59 2.355 0.333 4.637 394 H GLY 60 H GLY 60 6.250 -0.098 3.713 395 1HA GLY 60 2HA GLY 60 7.303 0.746 1.901 396 2HA GLY 60 1HA GLY 60 6.090 2.005 1.933 397 H GLY 61 H GLY 61 7.232 2.464 4.768 398 1HA GLY 61 2HA GLY 61 9.112 4.585 3.973 399 2HA GLY 61 1HA GLY 61 8.437 4.331 5.579 400 H TYR 62 H TYR 62 9.763 1.558 4.305 401 HA TYR 62 HA TYR 62 11.703 1.263 6.331 402 1HB TYR 62 2HB TYR 62 12.569 -0.657 5.118 403 2HB TYR 62 1HB TYR 62 10.840 -0.599 4.820 404 HD1 TYR 62 1HD TYR 62 9.998 0.308 2.576 405 HD2 TYR 62 2HD TYR 62 14.133 -0.333 3.383 406 HE1 TYR 62 1HE TYR 62 10.500 0.429 0.181 407 HE2 TYR 62 2HE TYR 62 14.632 -0.210 1.001 408 HH TYR 62 HH TYR 62 12.880 1.106 -1.176 409 H LYS 63 H LYS 63 13.856 1.721 6.598 410 HA LYS 63 HA LYS 63 15.249 3.119 4.387 411 1HB LYS 63 2HB LYS 63 15.222 3.817 7.308 412 2HB LYS 63 1HB LYS 63 16.213 4.545 6.118 413 1HG LYS 63 2HG LYS 63 13.168 4.651 6.161 414 2HG LYS 63 1HG LYS 63 14.204 5.959 6.655 415 1HD LYS 63 2HD LYS 63 14.034 4.840 3.813 416 2HD LYS 63 1HD LYS 63 13.328 6.336 4.366 417 1HE LYS 63 2HE LYS 63 16.322 5.728 4.317 418 2HE LYS 63 1HE LYS 63 15.457 6.772 3.205 419 1HZ LYS 63 1HZ LYS 63 14.741 8.040 5.251 420 2HZ LYS 63 2HZ LYS 63 16.360 8.191 4.765 421 3HZ LYS 63 3HZ LYS 63 15.957 7.189 6.075 422 H CYS 64 H CYS 64 17.479 3.196 4.601 423 HA CYS 64 HA CYS 64 18.701 0.825 5.914 424 1HB CYS 64 2HB CYS 64 19.606 2.458 3.561 425 2HB CYS 64 1HB CYS 64 20.474 1.157 4.261 426 H GLN 65 H GLN 65 20.823 1.100 6.608 427 HA GLN 65 HA GLN 65 22.038 3.724 7.143 428 1HB GLN 65 2HB GLN 65 21.391 1.950 9.533 429 2HB GLN 65 1HB GLN 65 22.075 3.543 9.549 430 1HG GLN 65 2HG GLN 65 19.991 4.582 8.782 431 2HG GLN 65 1HG GLN 65 19.205 3.006 8.720 432 1HE2 GLN 65 1HE2 GLN 65 18.968 1.821 10.801 433 2HE2 GLN 65 2HE2 GLN 65 18.902 2.700 12.252 434 H CYS 66 H CYS 66 23.932 2.896 8.936 435 HA CYS 66 HA CYS 66 25.286 0.775 7.381 436 1HB CYS 66 2HB CYS 66 26.513 2.415 9.567 437 2HB CYS 66 1HB CYS 66 27.225 1.500 8.362 438 H GLU 67 H GLU 67 26.141 -0.911 8.238 439 HA GLU 67 HA GLU 67 24.904 -2.113 10.621 440 1HB GLU 67 2HB GLU 67 25.074 -3.328 8.463 441 2HB GLU 67 1HB GLU 67 26.819 -3.230 8.520 442 1HG GLU 67 2HG GLU 67 26.775 -4.652 10.609 443 2HG GLU 67 1HG GLU 67 25.023 -4.727 10.477 444 H GLU 68 H GLU 68 26.099 -0.313 11.737 445 HA GLU 68 HA GLU 68 27.657 0.403 13.273 446 1HB GLU 68 2HB GLU 68 28.341 -2.582 13.335 447 2HB GLU 68 1HB GLU 68 28.891 -1.420 14.512 448 1HG GLU 68 2HG GLU 68 26.910 -2.615 15.373 449 2HG GLU 68 1HG GLU 68 26.505 -0.930 15.120 450 H GLY 69 H GLY 69 29.683 -2.174 12.020 451 1HA GLY 69 2HA GLY 69 32.031 -0.647 11.863 452 2HA GLY 69 1HA GLY 69 31.805 -2.211 11.104 453 H PHE 70 H PHE 70 29.401 -0.794 9.730 454 HA PHE 70 HA PHE 70 30.809 -0.165 7.343 455 1HB PHE 70 2HB PHE 70 27.904 -0.272 8.111 456 2HB PHE 70 1HB PHE 70 28.383 0.205 6.499 457 HD1 PHE 70 1HD PHE 70 29.995 -2.556 8.499 458 HD2 PHE 70 2HD PHE 70 27.347 -1.538 5.346 459 HE1 PHE 70 1HE PHE 70 29.914 -4.902 7.828 460 HE2 PHE 70 2HE PHE 70 27.267 -3.890 4.659 461 HZ PHE 70 HZ PHE 70 28.550 -5.583 5.898 462 H GLN 71 H GLN 71 30.414 1.789 6.089 463 HA GLN 71 HA GLN 71 29.806 4.190 7.656 464 1HB GLN 71 2HB GLN 71 32.202 3.499 5.984 465 2HB GLN 71 1HB GLN 71 31.672 5.141 5.956 466 1HG GLN 71 2HG GLN 71 32.305 3.593 8.518 467 2HG GLN 71 1HG GLN 71 33.387 4.761 7.760 468 1HE2 GLN 71 1HE2 GLN 71 32.468 5.284 10.355 469 2HE2 GLN 71 2HE2 GLN 71 31.366 6.576 10.332 470 H LEU 72 H LEU 72 29.682 6.038 6.252 471 HA LEU 72 HA LEU 72 27.585 5.436 4.263 472 1HB LEU 72 2HB LEU 72 27.316 7.299 5.875 473 2HB LEU 72 1HB LEU 72 28.681 8.123 5.149 474 HG LEU 72 HG LEU 72 27.449 8.074 2.924 475 1HD1 LEU 72 1HD1 LEU 72 25.021 7.636 2.924 476 2HD1 LEU 72 2HD1 LEU 72 25.101 7.111 4.595 477 3HD1 LEU 72 3HD1 LEU 72 25.910 6.186 3.341 478 1HD2 LEU 72 1HD2 LEU 72 25.993 9.447 5.226 479 2HD2 LEU 72 2HD2 LEU 72 25.863 9.897 3.530 480 3HD2 LEU 72 3HD2 LEU 72 27.392 10.090 4.375 481 H ASP 73 H ASP 73 28.395 4.679 2.429 482 HA ASP 73 HA ASP 73 30.818 5.682 1.172 483 1HB ASP 73 2HB ASP 73 29.975 3.349 0.736 484 2HB ASP 73 1HB ASP 73 28.583 4.019 -0.101 485 HA PRO 74 HA PRO 74 28.649 9.197 -0.635 486 1HB PRO 74 2HB PRO 74 30.691 10.314 -1.983 487 2HB PRO 74 1HB PRO 74 30.655 10.321 -0.235 488 1HG PRO 74 2HG PRO 74 32.128 8.447 -2.048 489 2HG PRO 74 1HG PRO 74 32.710 9.293 -0.603 490 1HD PRO 74 2HD PRO 74 31.906 6.706 -0.569 491 2HD PRO 74 1HD PRO 74 31.747 7.782 0.831 492 H HIS 75 H HIS 75 28.279 10.122 -2.773 493 HA HIS 75 HA HIS 75 27.547 10.002 -4.974 494 1HB HIS 75 2HB HIS 75 29.647 7.793 -5.252 495 2HB HIS 75 1HB HIS 75 28.879 8.666 -6.566 496 HD1 HIS 75 1HD HIS 75 31.294 9.226 -3.805 497 HD2 HIS 75 2HD HIS 75 29.883 11.257 -7.054 498 HE1 HIS 75 1HE HIS 75 32.733 11.215 -4.059 499 H THR 76 H THR 76 27.051 7.706 -2.815 500 HA THR 76 HA THR 76 25.008 6.271 -4.424 501 HB THR 76 HB THR 76 25.668 4.134 -3.210 502 HG1 THR 76 1HG THR 76 27.613 4.259 -2.060 503 1HG2 THR 76 1HG2 THR 76 27.835 3.710 -4.387 504 2HG2 THR 76 2HG2 THR 76 28.112 5.433 -4.576 505 3HG2 THR 76 3HG2 THR 76 26.828 4.646 -5.480 506 H LYS 77 H LYS 77 26.341 7.133 -1.414 507 HA LYS 77 HA LYS 77 25.468 7.756 0.664 508 1HB LYS 77 2HB LYS 77 22.911 7.675 -0.758 509 2HB LYS 77 1HB LYS 77 23.115 8.376 0.824 510 1HG LYS 77 2HG LYS 77 24.789 9.986 -0.136 511 2HG LYS 77 1HG LYS 77 24.501 9.317 -1.733 512 1HD LYS 77 2HD LYS 77 22.101 9.983 -1.581 513 2HD LYS 77 1HD LYS 77 22.387 10.650 0.017 514 1HE LYS 77 2HE LYS 77 22.448 12.437 -1.700 515 2HE LYS 77 1HE LYS 77 24.025 12.263 -0.946 516 1HZ LYS 77 1HZ LYS 77 24.893 11.230 -2.793 517 2HZ LYS 77 2HZ LYS 77 23.876 12.408 -3.475 518 3HZ LYS 77 3HZ LYS 77 23.374 10.786 -3.408 519 H ALA 78 H ALA 78 25.426 4.959 -0.631 520 HA ALA 78 HA ALA 78 23.593 3.466 1.169 521 1HB ALA 78 1HB ALA 78 23.698 2.843 -1.243 522 2HB ALA 78 2HB ALA 78 24.257 1.530 -0.211 523 3HB ALA 78 3HB ALA 78 25.420 2.528 -1.074 524 H CYS 79 H CYS 79 24.384 2.375 2.884 525 HA CYS 79 HA CYS 79 27.184 2.835 3.588 526 1HB CYS 79 2HB CYS 79 24.985 1.390 5.029 527 2HB CYS 79 1HB CYS 79 26.590 1.530 5.666 528 H LYS 80 H LYS 80 28.657 1.273 4.174 529 HA LYS 80 HA LYS 80 28.243 -1.572 3.587 530 1HB LYS 80 2HB LYS 80 29.992 -1.814 2.183 531 2HB LYS 80 1HB LYS 80 28.763 -0.857 1.342 532 1HG LYS 80 2HG LYS 80 30.114 1.241 1.944 533 2HG LYS 80 1HG LYS 80 31.380 0.198 2.567 534 1HD LYS 80 2HD LYS 80 31.590 -0.871 0.313 535 2HD LYS 80 1HD LYS 80 30.382 0.242 -0.306 536 1HE LYS 80 2HE LYS 80 32.636 1.124 -0.803 537 2HE LYS 80 1HE LYS 80 31.843 2.160 0.374 538 1HZ LYS 80 1HZ LYS 80 33.860 0.081 0.953 539 2HZ LYS 80 2HZ LYS 80 33.024 0.968 2.135 540 3HZ LYS 80 3HZ LYS 80 34.063 1.765 1.056 541 H ALA 81 H ALA 81 30.324 -2.771 4.182 542 HA ALA 81 HA ALA 81 31.473 -2.052 6.624 543 1HB ALA 81 1HB ALA 81 33.255 -3.694 6.089 544 2HB ALA 81 2HB ALA 81 32.769 -3.674 4.400 545 3HB ALA 81 3HB ALA 81 31.677 -4.303 5.622 546 H VAL 82 H VAL 82 32.809 -0.494 7.267 547 HA VAL 82 HA VAL 82 33.831 1.536 5.718 548 HB VAL 82 HB VAL 82 33.676 1.580 8.183 549 1HG1 VAL 82 1HG1 VAL 82 35.400 0.450 9.579 550 2HG1 VAL 82 2HG1 VAL 82 36.116 -0.262 8.142 551 3HG1 VAL 82 3HG1 VAL 82 34.513 -0.740 8.646 552 1HG2 VAL 82 1HG2 VAL 82 36.508 2.133 7.200 553 2HG2 VAL 82 2HG2 VAL 82 35.794 2.775 8.668 554 3HG2 VAL 82 3HG2 VAL 82 35.150 3.240 7.103 Start of MODEL 2 1 H GLY 1 H GLY 1 -23.531 -6.706 1.557 2 1HA GLY 1 2HA GLY 1 -23.691 -6.888 -1.228 3 2HA GLY 1 1HA GLY 1 -25.278 -7.349 -0.618 4 H THR 2 H THR 2 -24.863 -5.462 1.733 5 HA THR 2 HA THR 2 -26.186 -3.217 0.661 6 HB THR 2 HB THR 2 -26.427 -4.032 3.049 7 HG1 THR 2 1HG THR 2 -26.698 -1.992 3.749 8 1HG2 THR 2 1HG2 THR 2 -23.825 -2.464 3.405 9 2HG2 THR 2 2HG2 THR 2 -23.902 -4.218 3.496 10 3HG2 THR 2 3HG2 THR 2 -24.759 -3.232 4.677 11 H ASN 3 H ASN 3 -25.066 -0.995 1.741 12 HA ASN 3 HA ASN 3 -22.460 -0.688 0.307 13 1HB ASN 3 2HB ASN 3 -24.535 0.361 -0.638 14 2HB ASN 3 1HB ASN 3 -24.639 1.362 0.788 15 1HD2 ASN 3 1HD2 ASN 3 -24.434 2.936 -1.274 16 2HD2 ASN 3 2HD2 ASN 3 -22.861 3.510 -1.550 17 H GLU 4 H GLU 4 -21.385 -1.325 2.333 18 HA GLU 4 HA GLU 4 -21.691 0.167 4.766 19 1HB GLU 4 2HB GLU 4 -19.121 -1.256 4.043 20 2HB GLU 4 1HB GLU 4 -19.867 -1.013 5.595 21 1HG GLU 4 2HG GLU 4 -20.112 -3.315 5.174 22 2HG GLU 4 1HG GLU 4 -21.706 -2.633 4.882 23 H CYS 5 H CYS 5 -20.265 0.942 1.839 24 HA CYS 5 HA CYS 5 -17.934 2.302 2.550 25 1HB CYS 5 2HB CYS 5 -19.855 2.847 0.285 26 2HB CYS 5 1HB CYS 5 -18.205 3.354 0.355 27 H LEU 6 H LEU 6 -21.187 3.226 2.326 28 HA LEU 6 HA LEU 6 -21.281 5.965 2.505 29 1HB LEU 6 2HB LEU 6 -23.047 3.965 3.946 30 2HB LEU 6 1HB LEU 6 -23.479 5.616 3.573 31 HG LEU 6 HG LEU 6 -22.799 3.456 1.517 32 1HD1 LEU 6 1HD1 LEU 6 -25.233 3.572 0.980 33 2HD1 LEU 6 2HD1 LEU 6 -25.465 4.734 2.276 34 3HD1 LEU 6 3HD1 LEU 6 -24.976 3.089 2.650 35 1HD2 LEU 6 1HD2 LEU 6 -23.879 6.296 1.101 36 2HD2 LEU 6 2HD2 LEU 6 -23.631 5.115 -0.170 37 3HD2 LEU 6 3HD2 LEU 6 -22.255 5.773 0.684 38 H ASP 7 H ASP 7 -20.989 3.656 5.111 39 HA ASP 7 HA ASP 7 -20.359 5.781 7.129 40 1HB ASP 7 2HB ASP 7 -22.234 4.046 7.517 41 2HB ASP 7 1HB ASP 7 -20.979 2.822 7.451 42 H ASN 8 H ASN 8 -18.915 4.040 8.753 43 HA ASN 8 HA ASN 8 -16.289 4.329 8.014 44 1HB ASN 8 2HB ASN 8 -17.546 2.159 9.528 45 2HB ASN 8 1HB ASN 8 -15.840 2.519 9.660 46 1HD2 ASN 8 1HD2 ASN 8 -15.369 4.887 10.336 47 2HD2 ASN 8 2HD2 ASN 8 -16.414 5.590 11.476 48 H ASN 9 H ASN 9 -15.150 3.415 6.266 49 HA ASN 9 HA ASN 9 -16.295 1.779 4.374 50 1HB ASN 9 2HB ASN 9 -13.379 2.186 5.101 51 2HB ASN 9 1HB ASN 9 -13.894 1.362 3.645 52 1HD2 ASN 9 1HD2 ASN 9 -14.889 4.397 5.349 53 2HD2 ASN 9 2HD2 ASN 9 -14.903 5.341 3.944 54 H GLY 10 H GLY 10 -17.377 0.103 5.247 55 1HA GLY 10 2HA GLY 10 -17.685 -2.173 5.583 56 2HA GLY 10 1HA GLY 10 -15.945 -2.356 5.447 57 H GLY 11 H GLY 11 -15.911 -0.092 7.550 58 1HA GLY 11 2HA GLY 11 -16.837 -0.241 9.979 59 2HA GLY 11 1HA GLY 11 -15.981 -1.792 9.981 60 H CYS 12 H CYS 12 -14.650 0.667 7.979 61 HA CYS 12 HA CYS 12 -12.751 1.647 9.967 62 1HB CYS 12 2HB CYS 12 -12.202 0.093 7.441 63 2HB CYS 12 1HB CYS 12 -11.014 1.032 8.252 64 H SER 13 H SER 13 -11.321 2.395 7.244 65 HA SER 13 HA SER 13 -13.121 4.218 5.976 66 1HB SER 13 2HB SER 13 -12.000 6.327 6.789 67 2HB SER 13 1HB SER 13 -12.744 5.440 8.124 68 HG SER 13 HG SER 13 -10.141 4.721 7.414 69 H HIS 14 H HIS 14 -11.357 2.162 5.402 70 HA HIS 14 HA HIS 14 -9.303 3.384 3.639 71 1HB HIS 14 2HB HIS 14 -9.656 0.538 4.747 72 2HB HIS 14 1HB HIS 14 -8.307 1.094 3.782 73 HD1 HIS 14 1HD HIS 14 -8.324 0.131 6.862 74 HD2 HIS 14 2HD HIS 14 -7.828 3.966 5.552 75 HE1 HIS 14 1HE HIS 14 -7.163 1.339 8.671 76 H VAL 15 H VAL 15 -10.036 0.237 2.772 77 HA VAL 15 HA VAL 15 -11.979 1.171 0.727 78 HB VAL 15 HB VAL 15 -9.887 0.033 0.010 79 1HG1 VAL 15 1HG1 VAL 15 -9.567 -1.521 1.880 80 2HG1 VAL 15 2HG1 VAL 15 -9.615 -2.365 0.338 81 3HG1 VAL 15 3HG1 VAL 15 -10.996 -2.426 1.416 82 1HG2 VAL 15 1HG2 VAL 15 -12.453 -1.574 -0.516 83 2HG2 VAL 15 2HG2 VAL 15 -11.020 -1.633 -1.523 84 3HG2 VAL 15 3HG2 VAL 15 -11.953 -0.151 -1.413 85 H CYS 16 H CYS 16 -13.944 0.389 0.658 86 HA CYS 16 HA CYS 16 -14.925 -1.258 2.902 87 1HB CYS 16 2HB CYS 16 -17.127 -0.351 2.028 88 2HB CYS 16 1HB CYS 16 -16.008 0.891 2.513 89 H ASN 17 H ASN 17 -14.321 -3.356 2.297 90 HA ASN 17 HA ASN 17 -14.795 -4.290 -0.420 91 1HB ASN 17 2HB ASN 17 -12.870 -4.906 0.800 92 2HB ASN 17 1HB ASN 17 -13.810 -5.331 2.196 93 1HD2 ASN 17 1HD2 ASN 17 -11.828 -6.806 0.361 94 2HD2 ASN 17 2HD2 ASN 17 -12.607 -8.261 -0.024 95 H ASP 18 H ASP 18 -16.763 -4.607 -0.986 96 HA ASP 18 HA ASP 18 -18.936 -5.125 0.869 97 1HB ASP 18 2HB ASP 18 -19.208 -3.688 -1.179 98 2HB ASP 18 1HB ASP 18 -18.974 -5.110 -2.172 99 H LEU 19 H LEU 19 -17.744 -7.138 1.584 100 HA LEU 19 HA LEU 19 -17.695 -9.493 0.063 101 1HB LEU 19 2HB LEU 19 -16.634 -8.845 2.391 102 2HB LEU 19 1HB LEU 19 -18.196 -9.258 3.039 103 HG LEU 19 HG LEU 19 -18.032 -11.560 2.124 104 1HD1 LEU 19 1HD1 LEU 19 -15.812 -12.283 1.261 105 2HD1 LEU 19 2HD1 LEU 19 -15.223 -10.633 1.422 106 3HD1 LEU 19 3HD1 LEU 19 -16.460 -11.014 0.244 107 1HD2 LEU 19 1HD2 LEU 19 -16.358 -12.297 3.794 108 2HD2 LEU 19 2HD2 LEU 19 -17.375 -11.017 4.412 109 3HD2 LEU 19 3HD2 LEU 19 -15.738 -10.653 3.899 110 H LYS 20 H LYS 20 -19.148 -11.395 0.409 111 HA LYS 20 HA LYS 20 -21.899 -10.639 0.037 112 1HB LYS 20 2HB LYS 20 -22.301 -13.104 0.030 113 2HB LYS 20 1HB LYS 20 -20.945 -12.647 -0.979 114 1HG LYS 20 2HG LYS 20 -19.364 -13.332 0.868 115 2HG LYS 20 1HG LYS 20 -20.738 -13.815 1.842 116 1HD LYS 20 2HD LYS 20 -19.776 -15.783 0.782 117 2HD LYS 20 1HD LYS 20 -21.389 -15.501 0.162 118 1HE LYS 20 2HE LYS 20 -20.427 -14.455 -1.893 119 2HE LYS 20 1HE LYS 20 -18.806 -14.694 -1.254 120 1HZ LYS 20 1HZ LYS 20 -20.765 -16.697 -2.150 121 2HZ LYS 20 2HZ LYS 20 -19.497 -17.127 -1.106 122 3HZ LYS 20 3HZ LYS 20 -19.153 -16.482 -2.639 123 H ILE 21 H ILE 21 -20.104 -12.088 2.736 124 HA ILE 21 HA ILE 21 -22.025 -11.023 4.684 125 HB ILE 21 HB ILE 21 -21.153 -13.934 4.453 126 1HG1 ILE 21 2HG1 ILE 21 -23.940 -12.682 4.238 127 2HG1 ILE 21 1HG1 ILE 21 -23.026 -13.364 2.908 128 1HG2 ILE 21 1HG2 ILE 21 -22.814 -12.538 6.591 129 2HG2 ILE 21 2HG2 ILE 21 -21.183 -13.164 6.803 130 3HG2 ILE 21 3HG2 ILE 21 -22.510 -14.273 6.535 131 1HD1 ILE 21 1HD1 ILE 21 -24.707 -14.960 3.676 132 2HD1 ILE 21 2HD1 ILE 21 -24.033 -14.957 5.292 133 3HD1 ILE 21 3HD1 ILE 21 -23.095 -15.597 3.952 134 H GLY 22 H GLY 22 -20.717 -9.837 5.967 135 1HA GLY 22 2HA GLY 22 -19.122 -9.544 7.649 136 2HA GLY 22 1HA GLY 22 -18.321 -10.983 7.083 137 H TYR 23 H TYR 23 -19.224 -7.977 5.626 138 HA TYR 23 HA TYR 23 -17.423 -7.356 3.710 139 1HB TYR 23 2HB TYR 23 -18.105 -5.305 5.801 140 2HB TYR 23 1HB TYR 23 -17.807 -5.039 4.101 141 HD1 TYR 23 1HD TYR 23 -19.345 -6.364 2.421 142 HD2 TYR 23 2HD TYR 23 -20.363 -5.641 6.472 143 HE1 TYR 23 1HE TYR 23 -21.693 -6.745 1.888 144 HE2 TYR 23 2HE TYR 23 -22.729 -6.028 5.952 145 HH TYR 23 HH TYR 23 -24.229 -6.017 4.106 146 H GLU 24 H GLU 24 -15.446 -6.132 3.525 147 HA GLU 24 HA GLU 24 -13.692 -6.527 5.884 148 1HB GLU 24 2HB GLU 24 -12.772 -6.630 3.029 149 2HB GLU 24 1HB GLU 24 -12.022 -7.132 4.502 150 1HG GLU 24 2HG GLU 24 -13.794 -8.813 4.836 151 2HG GLU 24 1HG GLU 24 -14.494 -8.282 3.303 152 H CYS 25 H CYS 25 -11.904 -5.471 6.092 153 HA CYS 25 HA CYS 25 -11.836 -2.651 5.458 154 1HB CYS 25 2HB CYS 25 -12.306 -3.147 7.792 155 2HB CYS 25 1HB CYS 25 -10.979 -4.277 7.837 156 H LEU 26 H LEU 26 -10.586 -3.806 3.418 157 HA LEU 26 HA LEU 26 -7.851 -4.608 4.068 158 1HB LEU 26 2HB LEU 26 -9.137 -3.953 1.386 159 2HB LEU 26 1HB LEU 26 -7.557 -4.589 1.593 160 HG LEU 26 HG LEU 26 -8.407 -6.686 2.493 161 1HD1 LEU 26 1HD1 LEU 26 -11.146 -5.558 1.865 162 2HD1 LEU 26 2HD1 LEU 26 -10.545 -5.916 3.475 163 3HD1 LEU 26 3HD1 LEU 26 -10.794 -7.215 2.330 164 1HD2 LEU 26 1HD2 LEU 26 -9.398 -7.504 0.350 165 2HD2 LEU 26 2HD2 LEU 26 -8.035 -6.442 0.047 166 3HD2 LEU 26 3HD2 LEU 26 -9.675 -5.846 -0.155 167 H CYS 27 H CYS 27 -6.540 -3.302 2.037 168 HA CYS 27 HA CYS 27 -5.799 -0.845 3.338 169 1HB CYS 27 2HB CYS 27 -4.909 -2.040 0.744 170 2HB CYS 27 1HB CYS 27 -4.129 -0.727 1.566 171 HA PRO 28 HA PRO 28 -7.964 1.931 0.607 172 1HB PRO 28 2HB PRO 28 -6.443 4.209 1.166 173 2HB PRO 28 1HB PRO 28 -7.729 3.610 2.160 174 1HG PRO 28 2HG PRO 28 -4.937 3.662 2.755 175 2HG PRO 28 1HG PRO 28 -6.266 3.125 3.784 176 1HD PRO 28 2HD PRO 28 -4.356 1.542 2.223 177 2HD PRO 28 1HD PRO 28 -5.420 1.065 3.561 178 H ASP 29 H ASP 29 -4.584 2.819 0.682 179 HA ASP 29 HA ASP 29 -4.430 3.263 -2.208 180 1HB ASP 29 2HB ASP 29 -2.276 4.296 -1.617 181 2HB ASP 29 1HB ASP 29 -3.513 4.866 -0.524 182 H GLY 30 H GLY 30 -1.625 2.728 -2.320 183 1HA GLY 30 2HA GLY 30 -1.516 0.244 -3.499 184 2HA GLY 30 1HA GLY 30 -0.127 1.179 -3.032 185 H PHE 31 H PHE 31 -0.511 0.921 -0.123 186 HA PHE 31 HA PHE 31 0.942 -1.408 0.353 187 1HB PHE 31 2HB PHE 31 -1.001 0.049 2.183 188 2HB PHE 31 1HB PHE 31 0.253 -1.042 2.736 189 HD1 PHE 31 1HD PHE 31 -0.312 2.383 2.357 190 HD2 PHE 31 2HD PHE 31 2.525 -0.598 1.438 191 HE1 PHE 31 1HE PHE 31 1.430 4.107 2.163 192 HE2 PHE 31 2HE PHE 31 4.296 1.098 1.244 193 HZ PHE 31 HZ PHE 31 3.762 3.443 1.623 194 H GLN 32 H GLN 32 0.416 -3.208 1.708 195 HA GLN 32 HA GLN 32 -2.082 -4.606 0.794 196 1HB GLN 32 2HB GLN 32 0.031 -5.591 -0.032 197 2HB GLN 32 1HB GLN 32 0.595 -5.773 1.626 198 1HG GLN 32 2HG GLN 32 -1.302 -7.335 2.097 199 2HG GLN 32 1HG GLN 32 -1.866 -7.143 0.444 200 1HE2 GLN 32 1HE2 GLN 32 -1.470 -9.656 0.818 201 2HE2 GLN 32 2HE2 GLN 32 0.044 -10.229 0.308 202 H LEU 33 H LEU 33 -3.261 -5.781 2.254 203 HA LEU 33 HA LEU 33 -3.176 -4.813 5.006 204 1HB LEU 33 2HB LEU 33 -5.314 -5.477 3.697 205 2HB LEU 33 1HB LEU 33 -4.845 -7.147 3.921 206 HG LEU 33 HG LEU 33 -4.781 -6.674 6.451 207 1HD1 LEU 33 1HD1 LEU 33 -4.607 -4.186 6.324 208 2HD1 LEU 33 2HD1 LEU 33 -6.028 -4.654 7.230 209 3HD1 LEU 33 3HD1 LEU 33 -6.187 -4.114 5.572 210 1HD2 LEU 33 1HD2 LEU 33 -7.477 -6.325 5.081 211 2HD2 LEU 33 2HD2 LEU 33 -7.231 -6.797 6.747 212 3HD2 LEU 33 3HD2 LEU 33 -6.699 -7.853 5.451 213 H VAL 34 H VAL 34 -1.477 -5.501 6.165 214 HA VAL 34 HA VAL 34 -0.333 -8.171 5.860 215 HB VAL 34 HB VAL 34 0.329 -5.940 7.850 216 1HG1 VAL 34 1HG1 VAL 34 1.928 -8.421 7.082 217 2HG1 VAL 34 2HG1 VAL 34 1.138 -8.175 8.629 218 3HG1 VAL 34 3HG1 VAL 34 2.471 -7.142 8.155 219 1HG2 VAL 34 1HG2 VAL 34 0.683 -5.270 5.479 220 2HG2 VAL 34 2HG2 VAL 34 1.647 -6.712 5.212 221 3HG2 VAL 34 3HG2 VAL 34 2.212 -5.467 6.313 222 H ALA 35 H ALA 35 -0.973 -6.740 9.021 223 HA ALA 35 HA ALA 35 -1.784 -9.268 10.056 224 1HB ALA 35 1HB ALA 35 -1.877 -8.022 12.238 225 2HB ALA 35 2HB ALA 35 -1.617 -6.529 11.356 226 3HB ALA 35 3HB ALA 35 -0.371 -7.765 11.374 227 H GLN 36 H GLN 36 -3.626 -8.576 8.179 228 HA GLN 36 HA GLN 36 -5.898 -8.404 7.742 229 1HB GLN 36 2HB GLN 36 -6.173 -9.185 10.670 230 2HB GLN 36 1HB GLN 36 -7.431 -9.277 9.463 231 1HG GLN 36 2HG GLN 36 -6.112 -10.919 8.142 232 2HG GLN 36 1HG GLN 36 -4.803 -10.832 9.315 233 1HE2 GLN 36 1HE2 GLN 36 -5.082 -11.901 11.353 234 2HE2 GLN 36 2HE2 GLN 36 -6.396 -12.930 11.665 235 H ARG 37 H ARG 37 -4.442 -6.088 9.421 236 HA ARG 37 HA ARG 37 -6.792 -4.361 9.325 237 1HB ARG 37 2HB ARG 37 -6.585 -5.765 11.663 238 2HB ARG 37 1HB ARG 37 -5.431 -4.510 12.033 239 1HG ARG 37 2HG ARG 37 -7.557 -3.806 12.926 240 2HG ARG 37 1HG ARG 37 -7.244 -2.798 11.520 241 1HD ARG 37 2HD ARG 37 -8.673 -4.315 10.107 242 2HD ARG 37 1HD ARG 37 -8.915 -5.365 11.489 243 HE ARG 37 HE ARG 37 -9.754 -2.787 12.285 244 1HH1 ARG 37 2HH1 ARG 37 -10.570 -5.205 9.945 245 2HH1 ARG 37 1HH1 ARG 37 -12.246 -4.767 9.906 246 1HH2 ARG 37 1HH2 ARG 37 -11.876 -2.216 12.255 247 2HH2 ARG 37 2HH2 ARG 37 -12.997 -3.048 11.229 248 H ARG 38 H ARG 38 -3.507 -4.966 10.153 249 HA ARG 38 HA ARG 38 -2.683 -2.142 9.927 250 1HB ARG 38 2HB ARG 38 -1.667 -3.595 11.697 251 2HB ARG 38 1HB ARG 38 -1.077 -4.685 10.475 252 1HG ARG 38 2HG ARG 38 0.779 -3.381 11.193 253 2HG ARG 38 1HG ARG 38 0.392 -2.906 9.559 254 1HD ARG 38 2HD ARG 38 -0.521 -1.407 12.014 255 2HD ARG 38 1HD ARG 38 0.912 -0.983 11.092 256 HE ARG 38 HE ARG 38 -1.893 -0.544 10.301 257 1HH1 ARG 38 2HH1 ARG 38 1.442 -0.640 9.309 258 2HH1 ARG 38 1HH1 ARG 38 1.154 0.339 7.911 259 1HH2 ARG 38 1HH2 ARG 38 -2.253 0.690 8.535 260 2HH2 ARG 38 2HH2 ARG 38 -0.949 1.101 7.470 261 H CYS 39 H CYS 39 -2.576 -1.446 7.860 262 HA CYS 39 HA CYS 39 -1.733 -3.325 5.742 263 1HB CYS 39 2HB CYS 39 -3.723 -2.016 5.310 264 2HB CYS 39 1HB CYS 39 -2.829 -0.524 5.530 265 H GLU 40 H GLU 40 0.183 -3.354 4.826 266 HA GLU 40 HA GLU 40 1.809 -0.948 4.483 267 1HB GLU 40 2HB GLU 40 2.387 -1.743 6.802 268 2HB GLU 40 1HB GLU 40 2.823 -3.308 6.141 269 1HG GLU 40 2HG GLU 40 4.614 -2.274 4.782 270 2HG GLU 40 1HG GLU 40 4.122 -0.694 5.345 271 H ASP 41 H ASP 41 3.714 -1.388 3.193 272 HA ASP 41 HA ASP 41 3.179 -3.218 0.996 273 1HB ASP 41 2HB ASP 41 4.122 -0.963 0.525 274 2HB ASP 41 1HB ASP 41 5.475 -1.292 1.569 275 H ILE 42 H ILE 42 4.884 -4.548 0.152 276 HA ILE 42 HA ILE 42 5.695 -6.571 1.908 277 HB ILE 42 HB ILE 42 6.540 -5.844 -0.936 278 1HG1 ILE 42 2HG1 ILE 42 5.120 -7.765 -1.642 279 2HG1 ILE 42 1HG1 ILE 42 4.655 -8.037 0.021 280 1HG2 ILE 42 1HG2 ILE 42 8.353 -7.252 -0.053 281 2HG2 ILE 42 2HG2 ILE 42 7.418 -8.146 -1.223 282 3HG2 ILE 42 3HG2 ILE 42 7.187 -8.450 0.491 283 1HD1 ILE 42 1HD1 ILE 42 4.007 -5.547 -1.605 284 2HD1 ILE 42 2HD1 ILE 42 3.490 -5.825 0.054 285 3HD1 ILE 42 3HD1 ILE 42 2.897 -6.852 -1.226 286 H ASP 43 H ASP 43 8.223 -7.233 1.953 287 HA ASP 43 HA ASP 43 9.742 -4.807 2.840 288 1HB ASP 43 2HB ASP 43 9.133 -6.652 4.476 289 2HB ASP 43 1HB ASP 43 10.200 -7.712 3.580 290 H GLU 44 H GLU 44 11.225 -4.115 1.660 291 HA GLU 44 HA GLU 44 12.363 -5.570 -0.580 292 1HB GLU 44 2HB GLU 44 13.038 -2.807 0.491 293 2HB GLU 44 1HB GLU 44 13.412 -3.425 -1.098 294 1HG GLU 44 2HG GLU 44 11.551 -1.937 -1.222 295 2HG GLU 44 1HG GLU 44 10.996 -3.541 -1.659 296 H CYS 45 H CYS 45 13.305 -4.620 2.653 297 HA CYS 45 HA CYS 45 16.072 -4.713 2.513 298 1HB CYS 45 2HB CYS 45 14.318 -5.727 4.774 299 2HB CYS 45 1HB CYS 45 15.985 -5.389 4.870 300 H GLN 46 H GLN 46 13.960 -7.152 3.516 301 HA GLN 46 HA GLN 46 15.376 -9.417 3.948 302 1HB GLN 46 2HB GLN 46 12.769 -9.131 2.445 303 2HB GLN 46 1HB GLN 46 13.370 -10.647 3.039 304 1HG GLN 46 2HG GLN 46 12.774 -8.171 4.742 305 2HG GLN 46 1HG GLN 46 11.734 -9.582 4.646 306 1HE2 GLN 46 1HE2 GLN 46 13.019 -11.739 5.208 307 2HE2 GLN 46 2HE2 GLN 46 14.048 -11.632 6.554 308 H ASP 47 H ASP 47 14.663 -8.227 0.753 309 HA ASP 47 HA ASP 47 15.683 -10.528 -0.585 310 1HB ASP 47 2HB ASP 47 13.932 -9.086 -1.592 311 2HB ASP 47 1HB ASP 47 15.074 -7.754 -1.671 312 HA PRO 48 HA PRO 48 19.945 -9.085 -0.358 313 1HB PRO 48 2HB PRO 48 21.163 -11.125 -1.560 314 2HB PRO 48 1HB PRO 48 20.277 -11.376 -0.076 315 1HG PRO 48 2HG PRO 48 19.362 -11.898 -2.878 316 2HG PRO 48 1HG PRO 48 19.232 -12.938 -1.447 317 1HD PRO 48 2HD PRO 48 17.205 -11.334 -2.369 318 2HD PRO 48 1HD PRO 48 17.372 -11.875 -0.687 319 H ASP 49 H ASP 49 18.636 -7.538 -2.141 320 HA ASP 49 HA ASP 49 20.605 -7.252 -4.362 321 1HB ASP 49 2HB ASP 49 18.495 -8.278 -5.287 322 2HB ASP 49 1HB ASP 49 17.587 -6.942 -4.591 323 H THR 50 H THR 50 18.267 -5.983 -2.164 324 HA THR 50 HA THR 50 18.570 -3.203 -2.812 325 HB THR 50 HB THR 50 17.149 -2.969 -0.686 326 HG1 THR 50 1HG THR 50 17.436 -4.574 0.628 327 1HG2 THR 50 1HG2 THR 50 16.305 -5.292 -2.522 328 2HG2 THR 50 2HG2 THR 50 16.076 -3.603 -2.939 329 3HG2 THR 50 3HG2 THR 50 15.233 -4.290 -1.568 330 H CYS 51 H CYS 51 18.984 -3.985 0.592 331 HA CYS 51 HA CYS 51 21.333 -2.265 0.696 332 1HB CYS 51 2HB CYS 51 20.122 -3.975 2.864 333 2HB CYS 51 1HB CYS 51 21.006 -2.477 3.037 334 H SER 52 H SER 52 23.534 -2.983 1.316 335 HA SER 52 HA SER 52 24.189 -5.611 0.334 336 1HB SER 52 2HB SER 52 25.791 -3.677 0.206 337 2HB SER 52 1HB SER 52 25.878 -3.656 1.977 338 HG SER 52 HG SER 52 26.356 -5.973 0.428 339 H GLN 53 H GLN 53 23.415 -4.245 3.403 340 HA GLN 53 HA GLN 53 23.570 -6.920 4.674 341 1HB GLN 53 2HB GLN 53 24.816 -4.375 5.716 342 2HB GLN 53 1HB GLN 53 24.566 -5.783 6.715 343 1HG GLN 53 2HG GLN 53 26.231 -5.634 4.194 344 2HG GLN 53 1HG GLN 53 26.858 -5.621 5.841 345 1HE2 GLN 53 1HE2 GLN 53 26.769 -7.642 3.341 346 2HE2 GLN 53 2HE2 GLN 53 26.523 -9.130 4.119 347 H LEU 54 H LEU 54 23.206 -4.192 6.732 348 HA LEU 54 HA LEU 54 20.634 -5.063 7.612 349 1HB LEU 54 2HB LEU 54 22.495 -4.402 9.032 350 2HB LEU 54 1HB LEU 54 22.558 -2.830 8.278 351 HG LEU 54 HG LEU 54 20.022 -3.689 9.731 352 1HD1 LEU 54 1HD1 LEU 54 22.025 -3.938 11.254 353 2HD1 LEU 54 2HD1 LEU 54 21.004 -2.583 11.723 354 3HD1 LEU 54 3HD1 LEU 54 22.512 -2.296 10.856 355 1HD2 LEU 54 1HD2 LEU 54 19.902 -1.215 9.967 356 2HD2 LEU 54 2HD2 LEU 54 20.152 -1.567 8.274 357 3HD2 LEU 54 3HD2 LEU 54 21.510 -1.080 9.259 358 H CYS 55 H CYS 55 18.891 -3.719 7.826 359 HA CYS 55 HA CYS 55 18.512 -1.358 6.144 360 1HB CYS 55 2HB CYS 55 18.425 -3.194 4.488 361 2HB CYS 55 1HB CYS 55 17.281 -4.037 5.405 362 H VAL 56 H VAL 56 16.091 -0.794 6.092 363 HA VAL 56 HA VAL 56 14.583 -1.713 8.454 364 HB VAL 56 HB VAL 56 16.028 0.018 9.416 365 1HG1 VAL 56 1HG1 VAL 56 14.960 1.965 7.333 366 2HG1 VAL 56 2HG1 VAL 56 16.596 1.331 7.415 367 3HG1 VAL 56 3HG1 VAL 56 15.990 2.369 8.687 368 1HG2 VAL 56 1HG2 VAL 56 13.733 -0.083 10.274 369 2HG2 VAL 56 2HG2 VAL 56 13.190 1.058 9.055 370 3HG2 VAL 56 3HG2 VAL 56 14.309 1.574 10.304 371 H ASN 57 H ASN 57 13.050 -2.422 7.256 372 HA ASN 57 HA ASN 57 11.690 -0.896 5.177 373 1HB ASN 57 2HB ASN 57 12.079 -3.288 4.874 374 2HB ASN 57 1HB ASN 57 11.184 -3.623 6.351 375 1HD2 ASN 57 1HD2 ASN 57 9.228 -4.534 5.814 376 2HD2 ASN 57 2HD2 ASN 57 8.208 -3.990 4.571 377 H LEU 58 H LEU 58 9.490 -0.756 5.065 378 HA LEU 58 HA LEU 58 7.550 -0.926 7.102 379 1HB LEU 58 2HB LEU 58 7.235 1.411 7.831 380 2HB LEU 58 1HB LEU 58 8.811 0.871 8.266 381 HG LEU 58 HG LEU 58 8.401 2.520 5.745 382 1HD1 LEU 58 1HD1 LEU 58 9.112 3.454 8.588 383 2HD1 LEU 58 2HD1 LEU 58 7.586 3.786 7.783 384 3HD1 LEU 58 3HD1 LEU 58 9.074 4.473 7.157 385 1HD2 LEU 58 1HD2 LEU 58 10.523 1.275 6.029 386 2HD2 LEU 58 2HD2 LEU 58 10.750 2.000 7.611 387 3HD2 LEU 58 3HD2 LEU 58 10.795 2.998 6.169 388 H GLU 59 H GLU 59 6.157 1.375 6.506 389 HA GLU 59 HA GLU 59 4.882 0.655 4.001 390 1HB GLU 59 2HB GLU 59 3.689 1.215 6.164 391 2HB GLU 59 1HB GLU 59 4.300 2.846 6.069 392 1HG GLU 59 2HG GLU 59 2.944 3.214 4.035 393 2HG GLU 59 1HG GLU 59 2.341 1.558 4.115 394 H GLY 60 H GLY 60 6.189 0.990 2.475 395 1HA GLY 60 2HA GLY 60 7.089 1.996 0.655 396 2HA GLY 60 1HA GLY 60 6.022 3.336 1.020 397 H GLY 61 H GLY 61 7.575 3.191 3.724 398 1HA GLY 61 2HA GLY 61 9.519 5.290 3.036 399 2HA GLY 61 1HA GLY 61 9.060 4.775 4.654 400 H TYR 62 H TYR 62 9.700 2.044 3.249 401 HA TYR 62 HA TYR 62 11.912 1.219 4.645 402 1HB TYR 62 2HB TYR 62 12.208 -0.573 3.085 403 2HB TYR 62 1HB TYR 62 10.501 -0.161 3.039 404 HD1 TYR 62 1HD TYR 62 9.618 1.240 1.070 405 HD2 TYR 62 2HD TYR 62 13.595 -0.276 1.223 406 HE1 TYR 62 1HE TYR 62 9.884 1.641 -1.332 407 HE2 TYR 62 2HE TYR 62 13.864 0.121 -1.161 408 HH TYR 62 HH TYR 62 12.572 1.912 -2.879 409 H LYS 63 H LYS 63 14.066 1.456 4.720 410 HA LYS 63 HA LYS 63 15.511 2.435 2.408 411 1HB LYS 63 2HB LYS 63 16.578 4.081 3.880 412 2HB LYS 63 1HB LYS 63 14.991 4.535 3.335 413 1HG LYS 63 2HG LYS 63 14.224 3.688 5.704 414 2HG LYS 63 1HG LYS 63 15.919 3.413 6.050 415 1HD LYS 63 2HD LYS 63 15.239 5.554 7.019 416 2HD LYS 63 1HD LYS 63 16.427 5.808 5.764 417 1HE LYS 63 2HE LYS 63 14.619 7.476 5.590 418 2HE LYS 63 1HE LYS 63 14.595 6.453 4.168 419 1HZ LYS 63 1HZ LYS 63 12.449 6.273 4.679 420 2HZ LYS 63 2HZ LYS 63 12.674 6.707 6.306 421 3HZ LYS 63 3HZ LYS 63 12.964 5.112 5.803 422 H CYS 64 H CYS 64 17.659 2.261 2.586 423 HA CYS 64 HA CYS 64 18.570 0.020 4.247 424 1HB CYS 64 2HB CYS 64 19.969 1.598 2.109 425 2HB CYS 64 1HB CYS 64 20.620 0.218 2.913 426 H GLN 65 H GLN 65 20.583 0.013 5.225 427 HA GLN 65 HA GLN 65 21.818 2.529 6.146 428 1HB GLN 65 2HB GLN 65 20.892 0.444 8.135 429 2HB GLN 65 1HB GLN 65 21.611 1.977 8.504 430 1HG GLN 65 2HG GLN 65 19.647 3.206 7.656 431 2HG GLN 65 1HG GLN 65 18.853 1.686 7.257 432 1HE2 GLN 65 1HE2 GLN 65 19.809 3.789 9.911 433 2HE2 GLN 65 2HE2 GLN 65 18.962 2.949 11.119 434 H CYS 66 H CYS 66 23.500 1.409 7.956 435 HA CYS 66 HA CYS 66 24.919 -0.718 6.402 436 1HB CYS 66 2HB CYS 66 26.080 1.343 8.278 437 2HB CYS 66 1HB CYS 66 26.888 0.303 7.244 438 H GLU 67 H GLU 67 26.166 -2.098 7.408 439 HA GLU 67 HA GLU 67 25.040 -3.259 9.857 440 1HB GLU 67 2HB GLU 67 25.583 -4.547 7.766 441 2HB GLU 67 1HB GLU 67 27.272 -4.258 8.030 442 1HG GLU 67 2HG GLU 67 26.650 -6.505 8.870 443 2HG GLU 67 1HG GLU 67 27.170 -5.506 10.210 444 H GLU 68 H GLU 68 25.987 -1.128 10.816 445 HA GLU 68 HA GLU 68 27.459 -0.138 12.329 446 1HB GLU 68 2HB GLU 68 28.470 -3.025 12.597 447 2HB GLU 68 1HB GLU 68 28.844 -1.724 13.697 448 1HG GLU 68 2HG GLU 68 26.424 -1.471 14.235 449 2HG GLU 68 1HG GLU 68 26.015 -2.702 13.051 450 H GLY 69 H GLY 69 29.742 -2.576 11.261 451 1HA GLY 69 2HA GLY 69 31.951 -0.917 10.927 452 2HA GLY 69 1HA GLY 69 31.791 -2.510 10.203 453 H PHE 70 H PHE 70 29.316 -1.550 8.770 454 HA PHE 70 HA PHE 70 30.638 -0.661 6.413 455 1HB PHE 70 2HB PHE 70 27.812 -1.341 7.132 456 2HB PHE 70 1HB PHE 70 28.151 -0.634 5.561 457 HD1 PHE 70 1HD PHE 70 27.439 -2.480 4.263 458 HD2 PHE 70 2HD PHE 70 30.339 -3.123 7.312 459 HE1 PHE 70 1HE PHE 70 27.884 -4.717 3.386 460 HE2 PHE 70 2HE PHE 70 30.766 -5.365 6.444 461 HZ PHE 70 HZ PHE 70 29.545 -6.173 4.467 462 H GLN 71 H GLN 71 29.932 1.238 5.183 463 HA GLN 71 HA GLN 71 28.804 3.427 6.742 464 1HB GLN 71 2HB GLN 71 31.491 3.195 5.469 465 2HB GLN 71 1HB GLN 71 30.735 4.743 5.399 466 1HG GLN 71 2HG GLN 71 31.218 3.141 7.970 467 2HG GLN 71 1HG GLN 71 32.190 4.515 7.445 468 1HE2 GLN 71 1HE2 GLN 71 30.821 4.662 9.899 469 2HE2 GLN 71 2HE2 GLN 71 29.554 5.786 9.776 470 H LEU 72 H LEU 72 28.640 5.344 5.455 471 HA LEU 72 HA LEU 72 26.910 4.702 3.161 472 1HB LEU 72 2HB LEU 72 26.320 6.507 4.792 473 2HB LEU 72 1HB LEU 72 27.724 7.419 4.276 474 HG LEU 72 HG LEU 72 26.792 7.359 1.903 475 1HD1 LEU 72 1HD1 LEU 72 24.401 6.822 1.599 476 2HD1 LEU 72 2HD1 LEU 72 24.300 6.271 3.260 477 3HD1 LEU 72 3HD1 LEU 72 25.295 5.404 2.104 478 1HD2 LEU 72 1HD2 LEU 72 26.470 9.339 3.371 479 2HD2 LEU 72 2HD2 LEU 72 25.004 8.622 4.027 480 3HD2 LEU 72 3HD2 LEU 72 25.067 9.103 2.336 481 H ASP 73 H ASP 73 28.054 4.065 1.458 482 HA ASP 73 HA ASP 73 30.615 5.200 0.682 483 1HB ASP 73 2HB ASP 73 29.919 2.839 0.141 484 2HB ASP 73 1HB ASP 73 28.710 3.460 -0.971 485 HA PRO 74 HA PRO 74 28.658 8.658 -1.417 486 1HB PRO 74 2HB PRO 74 30.811 9.816 -2.515 487 2HB PRO 74 1HB PRO 74 30.586 9.798 -0.781 488 1HG PRO 74 2HG PRO 74 32.268 7.959 -2.443 489 2HG PRO 74 1HG PRO 74 32.675 8.816 -0.944 490 1HD PRO 74 2HD PRO 74 31.918 6.210 -0.983 491 2HD PRO 74 1HD PRO 74 31.588 7.288 0.387 492 H HIS 75 H HIS 75 28.410 9.540 -3.515 493 HA HIS 75 HA HIS 75 27.867 9.429 -5.778 494 1HB HIS 75 2HB HIS 75 30.227 7.491 -5.910 495 2HB HIS 75 1HB HIS 75 29.487 8.311 -7.276 496 HD1 HIS 75 1HD HIS 75 31.678 8.987 -4.385 497 HD2 HIS 75 2HD HIS 75 30.063 11.099 -7.483 498 HE1 HIS 75 1HE HIS 75 32.838 11.164 -4.420 499 H THR 76 H THR 76 27.410 7.025 -3.760 500 HA THR 76 HA THR 76 25.723 5.412 -5.606 501 HB THR 76 HB THR 76 26.464 3.332 -4.326 502 HG1 THR 76 1HG THR 76 27.135 4.197 -2.472 503 1HG2 THR 76 1HG2 THR 76 28.895 4.903 -5.395 504 2HG2 THR 76 2HG2 THR 76 27.816 3.998 -6.444 505 3HG2 THR 76 3HG2 THR 76 28.784 3.160 -5.242 506 H LYS 77 H LYS 77 26.617 6.338 -2.451 507 HA LYS 77 HA LYS 77 25.484 6.768 -0.454 508 1HB LYS 77 2HB LYS 77 23.103 6.641 -2.140 509 2HB LYS 77 1HB LYS 77 23.162 7.420 -0.583 510 1HG LYS 77 2HG LYS 77 24.599 8.304 -3.136 511 2HG LYS 77 1HG LYS 77 23.309 9.154 -2.318 512 1HD LYS 77 2HD LYS 77 24.767 9.536 -0.340 513 2HD LYS 77 1HD LYS 77 26.083 8.683 -1.128 514 1HE LYS 77 2HE LYS 77 24.785 11.230 -2.172 515 2HE LYS 77 1HE LYS 77 26.367 11.105 -1.419 516 1HZ LYS 77 1HZ LYS 77 26.575 9.280 -3.349 517 2HZ LYS 77 2HZ LYS 77 27.051 10.903 -3.511 518 3HZ LYS 77 3HZ LYS 77 25.534 10.399 -4.086 519 H ALA 78 H ALA 78 25.770 4.043 -1.787 520 HA ALA 78 HA ALA 78 23.721 2.448 -0.354 521 1HB ALA 78 1HB ALA 78 24.642 0.572 -1.696 522 2HB ALA 78 2HB ALA 78 25.878 1.641 -2.343 523 3HB ALA 78 3HB ALA 78 24.189 1.916 -2.739 524 H CYS 79 H CYS 79 24.236 1.180 1.375 525 HA CYS 79 HA CYS 79 26.782 1.685 2.674 526 1HB CYS 79 2HB CYS 79 24.443 -0.007 3.444 527 2HB CYS 79 1HB CYS 79 25.908 -0.004 4.376 528 H LYS 80 H LYS 80 28.404 0.472 3.058 529 HA LYS 80 HA LYS 80 28.487 -2.384 2.509 530 1HB LYS 80 2HB LYS 80 30.353 -2.283 1.135 531 2HB LYS 80 1HB LYS 80 28.936 -1.678 0.268 532 1HG LYS 80 2HG LYS 80 29.700 0.700 0.786 533 2HG LYS 80 1HG LYS 80 31.168 0.062 1.492 534 1HD LYS 80 2HD LYS 80 30.321 -0.303 -1.408 535 2HD LYS 80 1HD LYS 80 31.529 0.830 -0.836 536 1HE LYS 80 2HE LYS 80 32.910 -1.069 0.023 537 2HE LYS 80 1HE LYS 80 31.716 -2.210 -0.582 538 1HZ LYS 80 1HZ LYS 80 32.899 -0.221 -2.384 539 2HZ LYS 80 2HZ LYS 80 32.204 -1.729 -2.747 540 3HZ LYS 80 3HZ LYS 80 33.734 -1.652 -2.011 541 H ALA 81 H ALA 81 30.871 -3.133 3.067 542 HA ALA 81 HA ALA 81 31.744 -2.302 5.580 543 1HB ALA 81 1HB ALA 81 33.893 -3.418 5.031 544 2HB ALA 81 2HB ALA 81 33.454 -3.415 3.329 545 3HB ALA 81 3HB ALA 81 32.522 -4.365 4.476 546 H VAL 82 H VAL 82 32.695 -0.537 6.391 547 HA VAL 82 HA VAL 82 33.219 1.790 5.021 548 HB VAL 82 HB VAL 82 33.056 1.644 7.476 549 1HG1 VAL 82 1HG1 VAL 82 34.350 -0.491 7.798 550 2HG1 VAL 82 2HG1 VAL 82 34.967 0.782 8.830 551 3HG1 VAL 82 3HG1 VAL 82 35.824 0.341 7.363 552 1HG2 VAL 82 1HG2 VAL 82 34.169 3.637 6.558 553 2HG2 VAL 82 2HG2 VAL 82 35.723 2.824 6.614 554 3HG2 VAL 82 3HG2 VAL 82 34.873 3.194 8.103 Start of MODEL 3 1 H GLY 1 H GLY 1 -27.513 -3.405 5.457 2 1HA GLY 1 2HA GLY 1 -26.004 -3.206 3.029 3 2HA GLY 1 1HA GLY 1 -27.604 -2.513 2.788 4 H THR 2 H THR 2 -26.162 -2.353 5.931 5 HA THR 2 HA THR 2 -26.402 0.412 6.173 6 HB THR 2 HB THR 2 -26.349 -1.010 8.136 7 HG1 THR 2 1HG THR 2 -25.456 1.201 8.089 8 1HG2 THR 2 1HG2 THR 2 -24.192 -1.997 8.887 9 2HG2 THR 2 2HG2 THR 2 -23.372 -1.328 7.480 10 3HG2 THR 2 3HG2 THR 2 -24.557 -2.615 7.278 11 H ASN 3 H ASN 3 -24.728 1.885 6.758 12 HA ASN 3 HA ASN 3 -22.437 1.814 4.858 13 1HB ASN 3 2HB ASN 3 -24.209 3.585 4.667 14 2HB ASN 3 1HB ASN 3 -23.784 4.148 6.270 15 1HD2 ASN 3 1HD2 ASN 3 -23.480 6.128 4.598 16 2HD2 ASN 3 2HD2 ASN 3 -21.876 6.363 4.091 17 H GLU 4 H GLU 4 -21.558 0.340 6.534 18 HA GLU 4 HA GLU 4 -20.744 1.315 9.108 19 1HB GLU 4 2HB GLU 4 -19.225 -0.801 8.937 20 2HB GLU 4 1HB GLU 4 -20.954 -1.011 8.976 21 1HG GLU 4 2HG GLU 4 -19.821 -2.462 7.306 22 2HG GLU 4 1HG GLU 4 -21.039 -1.450 6.579 23 H CYS 5 H CYS 5 -19.702 2.313 6.205 24 HA CYS 5 HA CYS 5 -16.893 2.393 6.487 25 1HB CYS 5 2HB CYS 5 -18.771 4.143 4.896 26 2HB CYS 5 1HB CYS 5 -17.058 4.111 4.695 27 H LEU 6 H LEU 6 -19.553 4.445 7.200 28 HA LEU 6 HA LEU 6 -18.545 6.885 7.910 29 1HB LEU 6 2HB LEU 6 -20.742 5.349 9.329 30 2HB LEU 6 1HB LEU 6 -20.518 7.081 9.374 31 HG LEU 6 HG LEU 6 -21.153 5.449 6.875 32 1HD1 LEU 6 1HD1 LEU 6 -23.040 5.643 8.431 33 2HD1 LEU 6 2HD1 LEU 6 -23.332 6.609 6.992 34 3HD1 LEU 6 3HD1 LEU 6 -22.837 7.389 8.489 35 1HD2 LEU 6 1HD2 LEU 6 -21.422 7.667 5.756 36 2HD2 LEU 6 2HD2 LEU 6 -19.782 7.501 6.338 37 3HD2 LEU 6 3HD2 LEU 6 -20.931 8.485 7.229 38 H ASP 7 H ASP 7 -18.881 4.101 10.021 39 HA ASP 7 HA ASP 7 -17.274 5.375 12.198 40 1HB ASP 7 2HB ASP 7 -19.512 4.165 12.655 41 2HB ASP 7 1HB ASP 7 -18.724 2.704 12.077 42 H ASN 8 H ASN 8 -16.212 2.977 13.144 43 HA ASN 8 HA ASN 8 -13.742 2.730 11.967 44 1HB ASN 8 2HB ASN 8 -15.350 0.641 13.242 45 2HB ASN 8 1HB ASN 8 -13.611 0.549 13.082 46 1HD2 ASN 8 1HD2 ASN 8 -12.369 2.376 14.177 47 2HD2 ASN 8 2HD2 ASN 8 -13.007 3.040 15.603 48 H ASN 9 H ASN 9 -13.313 2.238 9.899 49 HA ASN 9 HA ASN 9 -14.918 1.454 7.852 50 1HB ASN 9 2HB ASN 9 -12.557 2.190 7.692 51 2HB ASN 9 1HB ASN 9 -12.039 0.602 8.251 52 1HD2 ASN 9 1HD2 ASN 9 -12.459 -1.249 6.857 53 2HD2 ASN 9 2HD2 ASN 9 -12.672 -1.030 5.198 54 H GLY 10 H GLY 10 -16.453 -0.077 8.579 55 1HA GLY 10 2HA GLY 10 -17.395 -2.180 8.744 56 2HA GLY 10 1HA GLY 10 -16.046 -2.714 7.757 57 H GLY 11 H GLY 11 -14.915 -1.257 10.504 58 1HA GLY 11 2HA GLY 11 -15.006 -2.486 12.794 59 2HA GLY 11 1HA GLY 11 -14.308 -3.821 11.874 60 H CYS 12 H CYS 12 -12.719 -2.191 10.139 61 HA CYS 12 HA CYS 12 -10.491 -1.504 11.956 62 1HB CYS 12 2HB CYS 12 -9.145 -1.816 10.009 63 2HB CYS 12 1HB CYS 12 -10.270 -3.152 10.091 64 H SER 13 H SER 13 -9.557 -0.034 9.377 65 HA SER 13 HA SER 13 -11.145 2.355 9.177 66 1HB SER 13 2HB SER 13 -9.392 3.872 10.215 67 2HB SER 13 1HB SER 13 -10.056 2.745 11.403 68 HG SER 13 HG SER 13 -7.797 2.119 9.812 69 H HIS 14 H HIS 14 -10.168 0.406 7.441 70 HA HIS 14 HA HIS 14 -8.168 1.823 5.772 71 1HB HIS 14 2HB HIS 14 -8.993 -1.111 5.925 72 2HB HIS 14 1HB HIS 14 -7.767 -0.455 4.868 73 HD1 HIS 14 1HD HIS 14 -7.616 -2.330 7.632 74 HD2 HIS 14 2HD HIS 14 -6.067 1.391 6.977 75 HE1 HIS 14 1HE HIS 14 -5.799 -2.031 9.274 76 H VAL 15 H VAL 15 -9.635 -0.573 4.037 77 HA VAL 15 HA VAL 15 -11.484 1.309 2.676 78 HB VAL 15 HB VAL 15 -9.593 0.440 1.420 79 1HG1 VAL 15 1HG1 VAL 15 -10.691 -2.350 1.891 80 2HG1 VAL 15 2HG1 VAL 15 -9.197 -1.686 2.524 81 3HG1 VAL 15 3HG1 VAL 15 -9.394 -1.926 0.799 82 1HG2 VAL 15 1HG2 VAL 15 -11.764 0.840 0.181 83 2HG2 VAL 15 2HG2 VAL 15 -12.268 -0.805 0.525 84 3HG2 VAL 15 3HG2 VAL 15 -10.913 -0.513 -0.547 85 H CYS 16 H CYS 16 -13.565 1.029 3.045 86 HA CYS 16 HA CYS 16 -14.588 -1.387 4.306 87 1HB CYS 16 2HB CYS 16 -16.687 -0.121 4.293 88 2HB CYS 16 1HB CYS 16 -15.405 0.790 5.012 89 H ASN 17 H ASN 17 -14.226 -2.962 2.806 90 HA ASN 17 HA ASN 17 -15.215 -2.820 0.069 91 1HB ASN 17 2HB ASN 17 -13.257 -4.105 0.555 92 2HB ASN 17 1HB ASN 17 -13.987 -4.972 1.871 93 1HD2 ASN 17 1HD2 ASN 17 -13.822 -7.083 0.974 94 2HD2 ASN 17 2HD2 ASN 17 -14.550 -7.558 -0.482 95 H ASP 18 H ASP 18 -17.240 -2.419 0.146 96 HA ASP 18 HA ASP 18 -19.094 -3.459 2.066 97 1HB ASP 18 2HB ASP 18 -19.272 -1.239 0.796 98 2HB ASP 18 1HB ASP 18 -19.824 -2.170 -0.584 99 H LEU 19 H LEU 19 -18.957 -5.595 2.052 100 HA LEU 19 HA LEU 19 -19.500 -7.324 -0.127 101 1HB LEU 19 2HB LEU 19 -18.316 -7.684 2.212 102 2HB LEU 19 1HB LEU 19 -19.938 -7.817 2.828 103 HG LEU 19 HG LEU 19 -20.401 -9.742 1.316 104 1HD1 LEU 19 1HD1 LEU 19 -17.428 -9.425 0.746 105 2HD1 LEU 19 2HD1 LEU 19 -18.699 -9.113 -0.422 106 3HD1 LEU 19 3HD1 LEU 19 -18.440 -10.745 0.163 107 1HD2 LEU 19 1HD2 LEU 19 -19.028 -11.308 2.651 108 2HD2 LEU 19 2HD2 LEU 19 -19.669 -10.009 3.634 109 3HD2 LEU 19 3HD2 LEU 19 -17.985 -9.976 3.143 110 H LYS 20 H LYS 20 -21.451 -8.880 0.069 111 HA LYS 20 HA LYS 20 -23.869 -7.292 -0.044 112 1HB LYS 20 2HB LYS 20 -24.954 -9.472 -0.564 113 2HB LYS 20 1HB LYS 20 -23.496 -9.255 -1.511 114 1HG LYS 20 2HG LYS 20 -22.244 -10.725 0.100 115 2HG LYS 20 1HG LYS 20 -23.735 -10.987 0.993 116 1HD LYS 20 2HD LYS 20 -24.806 -11.955 -1.010 117 2HD LYS 20 1HD LYS 20 -23.321 -11.723 -1.920 118 1HE LYS 20 2HE LYS 20 -22.110 -13.209 -0.316 119 2HE LYS 20 1HE LYS 20 -23.606 -13.449 0.578 120 1HZ LYS 20 1HZ LYS 20 -23.488 -15.258 -0.815 121 2HZ LYS 20 2HZ LYS 20 -22.920 -14.356 -2.135 122 3HZ LYS 20 3HZ LYS 20 -24.540 -14.216 -1.646 123 H ILE 21 H ILE 21 -22.587 -9.777 2.142 124 HA ILE 21 HA ILE 21 -24.066 -8.678 4.426 125 HB ILE 21 HB ILE 21 -24.143 -11.578 3.485 126 1HG1 ILE 21 2HG1 ILE 21 -26.414 -9.549 3.757 127 2HG1 ILE 21 1HG1 ILE 21 -25.748 -10.135 2.245 128 1HG2 ILE 21 1HG2 ILE 21 -25.287 -10.287 5.993 129 2HG2 ILE 21 2HG2 ILE 21 -23.930 -11.404 5.939 130 3HG2 ILE 21 3HG2 ILE 21 -25.535 -11.969 5.533 131 1HD1 ILE 21 1HD1 ILE 21 -27.189 -11.881 4.275 132 2HD1 ILE 21 2HD1 ILE 21 -26.483 -12.431 2.762 133 3HD1 ILE 21 3HD1 ILE 21 -27.833 -11.311 2.751 134 H GLY 22 H GLY 22 -22.448 -8.322 5.868 135 1HA GLY 22 2HA GLY 22 -20.786 -8.914 7.389 136 2HA GLY 22 1HA GLY 22 -20.531 -10.376 6.474 137 H TYR 23 H TYR 23 -20.403 -7.001 5.823 138 HA TYR 23 HA TYR 23 -18.615 -6.480 3.884 139 1HB TYR 23 2HB TYR 23 -18.534 -4.927 6.473 140 2HB TYR 23 1HB TYR 23 -18.223 -4.329 4.853 141 HD1 TYR 23 1HD TYR 23 -20.659 -4.709 7.335 142 HD2 TYR 23 2HD TYR 23 -20.263 -4.664 3.111 143 HE1 TYR 23 1HE TYR 23 -23.042 -4.201 7.122 144 HE2 TYR 23 2HE TYR 23 -22.647 -4.149 2.888 145 HH TYR 23 HH TYR 23 -24.433 -2.922 4.643 146 H GLU 24 H GLU 24 -16.359 -5.686 3.807 147 HA GLU 24 HA GLU 24 -14.576 -7.038 5.772 148 1HB GLU 24 2HB GLU 24 -14.808 -8.490 3.840 149 2HB GLU 24 1HB GLU 24 -14.448 -7.173 2.750 150 1HG GLU 24 2HG GLU 24 -12.534 -8.706 2.990 151 2HG GLU 24 1HG GLU 24 -12.117 -7.104 3.541 152 H CYS 25 H CYS 25 -12.482 -6.459 5.608 153 HA CYS 25 HA CYS 25 -11.947 -3.659 5.038 154 1HB CYS 25 2HB CYS 25 -12.034 -4.095 7.463 155 2HB CYS 25 1HB CYS 25 -10.887 -5.405 7.289 156 H LEU 26 H LEU 26 -11.057 -4.121 2.979 157 HA LEU 26 HA LEU 26 -8.891 -6.069 2.701 158 1HB LEU 26 2HB LEU 26 -9.850 -3.937 0.754 159 2HB LEU 26 1HB LEU 26 -8.889 -5.325 0.395 160 HG LEU 26 HG LEU 26 -11.758 -5.483 1.382 161 1HD1 LEU 26 1HD1 LEU 26 -12.249 -6.186 -0.981 162 2HD1 LEU 26 2HD1 LEU 26 -10.577 -5.911 -1.406 163 3HD1 LEU 26 3HD1 LEU 26 -11.593 -4.563 -0.928 164 1HD2 LEU 26 1HD2 LEU 26 -9.926 -7.670 0.326 165 2HD2 LEU 26 2HD2 LEU 26 -11.616 -7.865 0.768 166 3HD2 LEU 26 3HD2 LEU 26 -10.428 -7.485 2.002 167 H CYS 27 H CYS 27 -7.226 -4.677 1.040 168 HA CYS 27 HA CYS 27 -5.650 -3.167 2.952 169 1HB CYS 27 2HB CYS 27 -5.143 -4.168 0.181 170 2HB CYS 27 1HB CYS 27 -4.000 -3.159 1.007 171 HA PRO 28 HA PRO 28 -6.546 0.815 1.202 172 1HB PRO 28 2HB PRO 28 -4.414 2.182 2.396 173 2HB PRO 28 1HB PRO 28 -5.927 1.833 3.170 174 1HG PRO 28 2HG PRO 28 -3.349 0.713 3.746 175 2HG PRO 28 1HG PRO 28 -4.874 0.484 4.601 176 1HD PRO 28 2HD PRO 28 -3.522 -1.306 2.740 177 2HD PRO 28 1HD PRO 28 -4.887 -1.595 3.840 178 H ASP 29 H ASP 29 -3.064 0.518 1.521 179 HA ASP 29 HA ASP 29 -2.626 1.443 -1.244 180 1HB ASP 29 2HB ASP 29 -0.355 1.863 -0.432 181 2HB ASP 29 1HB ASP 29 -1.497 2.557 0.690 182 H GLY 30 H GLY 30 -0.056 0.289 -1.503 183 1HA GLY 30 2HA GLY 30 -0.592 -2.102 -2.824 184 2HA GLY 30 1HA GLY 30 0.998 -1.498 -2.449 185 H PHE 31 H PHE 31 -0.042 -1.783 0.555 186 HA PHE 31 HA PHE 31 1.414 -4.104 1.206 187 1HB PHE 31 2HB PHE 31 -0.788 -2.612 2.654 188 2HB PHE 31 1HB PHE 31 0.109 -3.907 3.393 189 HD1 PHE 31 1HD PHE 31 0.525 -1.892 5.026 190 HD2 PHE 31 2HD PHE 31 2.316 -2.150 1.156 191 HE1 PHE 31 1HE PHE 31 2.326 -0.399 5.734 192 HE2 PHE 31 2HE PHE 31 4.082 -0.671 1.871 193 HZ PHE 31 HZ PHE 31 4.118 0.201 4.157 194 H GLN 32 H GLN 32 0.525 -5.911 2.528 195 HA GLN 32 HA GLN 32 -1.572 -7.343 0.930 196 1HB GLN 32 2HB GLN 32 0.656 -8.408 0.997 197 2HB GLN 32 1HB GLN 32 0.597 -8.432 2.756 198 1HG GLN 32 2HG GLN 32 -1.406 -9.942 2.651 199 2HG GLN 32 1HG GLN 32 -1.316 -9.919 0.893 200 1HE2 GLN 32 1HE2 GLN 32 0.344 -11.193 -0.116 201 2HE2 GLN 32 2HE2 GLN 32 1.345 -12.243 0.763 202 H LEU 33 H LEU 33 -3.241 -8.346 1.950 203 HA LEU 33 HA LEU 33 -3.978 -7.240 4.581 204 1HB LEU 33 2HB LEU 33 -5.644 -7.624 2.631 205 2HB LEU 33 1HB LEU 33 -5.495 -9.339 2.940 206 HG LEU 33 HG LEU 33 -6.229 -8.891 5.346 207 1HD1 LEU 33 1HD1 LEU 33 -6.831 -6.113 4.244 208 2HD1 LEU 33 2HD1 LEU 33 -5.625 -6.470 5.467 209 3HD1 LEU 33 3HD1 LEU 33 -7.320 -6.723 5.809 210 1HD2 LEU 33 1HD2 LEU 33 -7.874 -9.670 3.687 211 2HD2 LEU 33 2HD2 LEU 33 -8.177 -8.008 3.195 212 3HD2 LEU 33 3HD2 LEU 33 -8.609 -8.534 4.811 213 H VAL 34 H VAL 34 -2.395 -8.154 5.908 214 HA VAL 34 HA VAL 34 -1.884 -10.991 5.929 215 HB VAL 34 HB VAL 34 -0.329 -10.397 7.763 216 1HG1 VAL 34 1HG1 VAL 34 -0.179 -8.701 5.230 217 2HG1 VAL 34 2HG1 VAL 34 0.373 -10.357 5.388 218 3HG1 VAL 34 3HG1 VAL 34 1.178 -9.076 6.275 219 1HG2 VAL 34 1HG2 VAL 34 -1.260 -7.559 7.230 220 2HG2 VAL 34 2HG2 VAL 34 0.121 -8.038 8.206 221 3HG2 VAL 34 3HG2 VAL 34 -1.495 -8.440 8.734 222 H ALA 35 H ALA 35 -3.139 -8.920 8.550 223 HA ALA 35 HA ALA 35 -3.948 -11.255 9.997 224 1HB ALA 35 1HB ALA 35 -4.368 -8.313 10.569 225 2HB ALA 35 2HB ALA 35 -3.048 -9.290 11.193 226 3HB ALA 35 3HB ALA 35 -4.694 -9.584 11.733 227 H GLN 36 H GLN 36 -5.166 -10.913 7.547 228 HA GLN 36 HA GLN 36 -7.186 -11.145 6.439 229 1HB GLN 36 2HB GLN 36 -8.164 -11.765 9.261 230 2HB GLN 36 1HB GLN 36 -9.097 -12.069 7.811 231 1HG GLN 36 2HG GLN 36 -7.294 -13.587 6.988 232 2HG GLN 36 1HG GLN 36 -6.357 -13.264 8.444 233 1HE2 GLN 36 1HE2 GLN 36 -9.310 -14.809 7.229 234 2HE2 GLN 36 2HE2 GLN 36 -9.602 -15.739 8.618 235 H ARG 37 H ARG 37 -6.908 -8.631 8.686 236 HA ARG 37 HA ARG 37 -9.156 -7.175 7.414 237 1HB ARG 37 2HB ARG 37 -8.629 -7.092 10.412 238 2HB ARG 37 1HB ARG 37 -9.790 -6.109 9.556 239 1HG ARG 37 2HG ARG 37 -11.087 -7.796 10.595 240 2HG ARG 37 1HG ARG 37 -10.981 -8.298 8.922 241 1HD ARG 37 2HD ARG 37 -9.149 -9.899 9.540 242 2HD ARG 37 1HD ARG 37 -9.277 -9.358 11.198 243 HE ARG 37 HE ARG 37 -11.839 -10.216 10.236 244 1HH1 ARG 37 2HH1 ARG 37 -8.725 -11.395 11.206 245 2HH1 ARG 37 1HH1 ARG 37 -9.336 -12.931 11.713 246 1HH2 ARG 37 1HH2 ARG 37 -12.637 -12.161 10.874 247 2HH2 ARG 37 2HH2 ARG 37 -11.585 -13.373 11.525 248 H ARG 38 H ARG 38 -6.274 -7.159 9.416 249 HA ARG 38 HA ARG 38 -5.701 -4.321 8.851 250 1HB ARG 38 2HB ARG 38 -4.169 -6.361 10.520 251 2HB ARG 38 1HB ARG 38 -3.893 -4.655 10.457 252 1HG ARG 38 2HG ARG 38 -6.452 -5.934 11.487 253 2HG ARG 38 1HG ARG 38 -5.153 -5.334 12.492 254 1HD ARG 38 2HD ARG 38 -5.522 -3.019 11.545 255 2HD ARG 38 1HD ARG 38 -6.863 -3.651 10.598 256 HE ARG 38 HE ARG 38 -8.179 -3.675 12.522 257 1HH1 ARG 38 2HH1 ARG 38 -4.822 -3.474 13.370 258 2HH1 ARG 38 1HH1 ARG 38 -5.144 -3.233 15.052 259 1HH2 ARG 38 1HH2 ARG 38 -8.607 -3.373 14.654 260 2HH2 ARG 38 2HH2 ARG 38 -7.315 -3.176 15.790 261 H CYS 39 H CYS 39 -4.588 -3.852 7.113 262 HA CYS 39 HA CYS 39 -3.004 -5.936 5.744 263 1HB CYS 39 2HB CYS 39 -4.683 -4.607 4.509 264 2HB CYS 39 1HB CYS 39 -3.774 -3.165 4.866 265 H GLU 40 H GLU 40 -0.888 -5.977 5.585 266 HA GLU 40 HA GLU 40 0.764 -3.584 6.061 267 1HB GLU 40 2HB GLU 40 0.421 -4.695 8.290 268 2HB GLU 40 1HB GLU 40 1.119 -6.163 7.632 269 1HG GLU 40 2HG GLU 40 3.254 -4.957 7.176 270 2HG GLU 40 1HG GLU 40 2.555 -3.478 7.806 271 H ASP 41 H ASP 41 2.965 -3.912 5.433 272 HA ASP 41 HA ASP 41 3.355 -5.902 3.279 273 1HB ASP 41 2HB ASP 41 3.347 -3.698 2.642 274 2HB ASP 41 1HB ASP 41 4.524 -3.165 3.822 275 H ILE 42 H ILE 42 5.545 -6.490 2.878 276 HA ILE 42 HA ILE 42 6.695 -7.651 5.207 277 HB ILE 42 HB ILE 42 6.731 -8.875 3.071 278 1HG1 ILE 42 2HG1 ILE 42 9.134 -9.518 2.908 279 2HG1 ILE 42 1HG1 ILE 42 9.585 -8.122 3.859 280 1HG2 ILE 42 1HG2 ILE 42 6.860 -6.972 1.502 281 2HG2 ILE 42 2HG2 ILE 42 8.110 -8.143 1.150 282 3HG2 ILE 42 3HG2 ILE 42 8.517 -6.655 1.981 283 1HD1 ILE 42 1HD1 ILE 42 8.252 -9.027 5.785 284 2HD1 ILE 42 2HD1 ILE 42 9.488 -10.154 5.263 285 3HD1 ILE 42 3HD1 ILE 42 7.814 -10.416 4.806 286 H ASP 43 H ASP 43 8.440 -6.988 6.369 287 HA ASP 43 HA ASP 43 9.542 -4.306 5.774 288 1HB ASP 43 2HB ASP 43 8.837 -4.925 8.117 289 2HB ASP 43 1HB ASP 43 10.080 -6.160 8.150 290 H GLU 44 H GLU 44 10.844 -4.605 4.133 291 HA GLU 44 HA GLU 44 12.640 -6.822 3.796 292 1HB GLU 44 2HB GLU 44 13.461 -5.516 1.841 293 2HB GLU 44 1HB GLU 44 11.731 -5.674 1.866 294 1HG GLU 44 2HG GLU 44 13.191 -3.180 2.811 295 2HG GLU 44 1HG GLU 44 12.504 -3.397 1.217 296 H CYS 45 H CYS 45 12.951 -3.898 5.717 297 HA CYS 45 HA CYS 45 15.736 -3.595 5.406 298 1HB CYS 45 2HB CYS 45 13.879 -2.859 7.671 299 2HB CYS 45 1HB CYS 45 15.560 -2.562 7.739 300 H GLN 46 H GLN 46 13.895 -4.935 8.025 301 HA GLN 46 HA GLN 46 15.709 -6.037 9.716 302 1HB GLN 46 2HB GLN 46 13.100 -7.263 8.756 303 2HB GLN 46 1HB GLN 46 13.945 -7.759 10.197 304 1HG GLN 46 2HG GLN 46 12.863 -4.952 9.662 305 2HG GLN 46 1HG GLN 46 12.103 -6.129 10.717 306 1HE2 GLN 46 1HE2 GLN 46 13.708 -6.980 12.513 307 2HE2 GLN 46 2HE2 GLN 46 14.677 -5.795 13.248 308 H ASP 47 H ASP 47 14.615 -7.460 6.729 309 HA ASP 47 HA ASP 47 16.130 -9.853 7.020 310 1HB ASP 47 2HB ASP 47 14.019 -9.823 5.741 311 2HB ASP 47 1HB ASP 47 14.710 -8.683 4.598 312 HA PRO 48 HA PRO 48 19.840 -7.934 5.344 313 1HB PRO 48 2HB PRO 48 21.499 -10.050 5.422 314 2HB PRO 48 1HB PRO 48 20.889 -9.333 6.893 315 1HG PRO 48 2HG PRO 48 19.912 -11.783 5.487 316 2HG PRO 48 1HG PRO 48 20.193 -11.517 7.216 317 1HD PRO 48 2HD PRO 48 17.730 -11.363 6.015 318 2HD PRO 48 1HD PRO 48 18.165 -10.530 7.520 319 H ASP 49 H ASP 49 18.577 -7.651 3.361 320 HA ASP 49 HA ASP 49 19.838 -9.079 1.088 321 1HB ASP 49 2HB ASP 49 17.635 -10.149 1.430 322 2HB ASP 49 1HB ASP 49 16.854 -8.573 1.452 323 H THR 50 H THR 50 17.934 -6.422 2.328 324 HA THR 50 HA THR 50 18.197 -4.697 0.061 325 HB THR 50 HB THR 50 17.332 -2.977 1.789 326 HG1 THR 50 1HG THR 50 16.654 -4.433 3.715 327 1HG2 THR 50 1HG2 THR 50 15.877 -5.675 1.773 328 2HG2 THR 50 2HG2 THR 50 15.727 -4.478 0.495 329 3HG2 THR 50 3HG2 THR 50 15.162 -4.104 2.115 330 H CYS 51 H CYS 51 19.267 -3.425 3.150 331 HA CYS 51 HA CYS 51 21.671 -2.313 1.881 332 1HB CYS 51 2HB CYS 51 20.642 -2.080 4.700 333 2HB CYS 51 1HB CYS 51 21.718 -0.978 3.877 334 H SER 52 H SER 52 23.778 -2.439 3.322 335 HA SER 52 HA SER 52 24.402 -5.242 3.683 336 1HB SER 52 2HB SER 52 26.134 -3.552 2.956 337 2HB SER 52 1HB SER 52 26.013 -2.790 4.555 338 HG SER 52 HG SER 52 27.655 -4.366 4.488 339 H GLN 53 H GLN 53 23.835 -2.507 5.798 340 HA GLN 53 HA GLN 53 23.370 -4.355 8.095 341 1HB GLN 53 2HB GLN 53 24.907 -1.731 8.138 342 2HB GLN 53 1HB GLN 53 24.446 -2.642 9.564 343 1HG GLN 53 2HG GLN 53 26.208 -3.669 7.321 344 2HG GLN 53 1HG GLN 53 26.812 -3.066 8.855 345 1HE2 GLN 53 1HE2 GLN 53 25.323 -4.237 10.770 346 2HE2 GLN 53 2HE2 GLN 53 25.342 -5.930 10.648 347 H LEU 54 H LEU 54 23.262 -0.860 8.461 348 HA LEU 54 HA LEU 54 20.605 -0.990 9.415 349 1HB LEU 54 2HB LEU 54 22.196 1.357 8.461 350 2HB LEU 54 1HB LEU 54 20.651 1.465 9.270 351 HG LEU 54 HG LEU 54 23.269 0.536 10.462 352 1HD1 LEU 54 1HD1 LEU 54 21.271 2.774 10.985 353 2HD1 LEU 54 2HD1 LEU 54 22.791 2.983 10.142 354 3HD1 LEU 54 3HD1 LEU 54 22.785 2.551 11.855 355 1HD2 LEU 54 1HD2 LEU 54 21.324 -0.832 11.316 356 2HD2 LEU 54 2HD2 LEU 54 20.481 0.670 11.683 357 3HD2 LEU 54 3HD2 LEU 54 21.967 0.256 12.536 358 H CYS 55 H CYS 55 18.972 0.258 8.880 359 HA CYS 55 HA CYS 55 18.426 1.068 6.126 360 1HB CYS 55 2HB CYS 55 18.294 -1.408 5.998 361 2HB CYS 55 1HB CYS 55 17.142 -1.433 7.266 362 H VAL 56 H VAL 56 15.896 1.354 5.947 363 HA VAL 56 HA VAL 56 14.651 2.322 8.452 364 HB VAL 56 HB VAL 56 14.985 4.073 5.958 365 1HG1 VAL 56 1HG1 VAL 56 13.741 4.706 8.668 366 2HG1 VAL 56 2HG1 VAL 56 12.856 4.473 7.170 367 3HG1 VAL 56 3HG1 VAL 56 13.927 5.850 7.349 368 1HG2 VAL 56 1HG2 VAL 56 16.410 5.549 7.351 369 2HG2 VAL 56 2HG2 VAL 56 17.113 3.952 7.190 370 3HG2 VAL 56 3HG2 VAL 56 16.301 4.406 8.682 371 H ASN 57 H ASN 57 12.940 1.015 8.317 372 HA ASN 57 HA ASN 57 11.749 0.260 5.753 373 1HB ASN 57 2HB ASN 57 11.897 -1.357 7.644 374 2HB ASN 57 1HB ASN 57 10.862 -0.310 8.590 375 1HD2 ASN 57 1HD2 ASN 57 9.045 -1.642 8.823 376 2HD2 ASN 57 2HD2 ASN 57 8.120 -2.194 7.511 377 H LEU 58 H LEU 58 9.642 0.474 5.307 378 HA LEU 58 HA LEU 58 7.636 2.193 6.378 379 1HB LEU 58 2HB LEU 58 7.750 4.139 4.868 380 2HB LEU 58 1HB LEU 58 9.201 4.052 5.804 381 HG LEU 58 HG LEU 58 9.088 3.008 2.941 382 1HD1 LEU 58 1HD1 LEU 58 8.618 5.478 3.027 383 2HD1 LEU 58 2HD1 LEU 58 10.197 5.153 2.334 384 3HD1 LEU 58 3HD1 LEU 58 10.065 5.717 3.993 385 1HD2 LEU 58 1HD2 LEU 58 10.970 2.158 4.338 386 2HD2 LEU 58 2HD2 LEU 58 11.377 3.809 4.786 387 3HD2 LEU 58 3HD2 LEU 58 11.546 3.272 3.135 388 H GLU 59 H GLU 59 6.759 3.095 3.858 389 HA GLU 59 HA GLU 59 5.425 0.705 2.938 390 1HB GLU 59 2HB GLU 59 4.302 3.010 3.102 391 2HB GLU 59 1HB GLU 59 5.360 3.569 1.825 392 1HG GLU 59 2HG GLU 59 4.292 1.972 0.220 393 2HG GLU 59 1HG GLU 59 3.302 1.331 1.513 394 H GLY 60 H GLY 60 7.111 -0.425 2.544 395 1HA GLY 60 2HA GLY 60 8.389 -1.684 1.217 396 2HA GLY 60 1HA GLY 60 7.371 -1.103 -0.090 397 H GLY 61 H GLY 61 8.500 1.627 0.989 398 1HA GLY 61 2HA GLY 61 10.642 1.865 -1.024 399 2HA GLY 61 1HA GLY 61 9.909 3.181 -0.129 400 H TYR 62 H TYR 62 11.334 0.355 1.302 401 HA TYR 62 HA TYR 62 12.749 1.394 3.362 402 1HB TYR 62 2HB TYR 62 14.222 -0.509 3.338 403 2HB TYR 62 1HB TYR 62 12.663 -1.018 2.720 404 HD1 TYR 62 1HD TYR 62 16.157 -0.685 2.017 405 HD2 TYR 62 2HD TYR 62 12.369 -1.183 0.139 406 HE1 TYR 62 1HE TYR 62 17.277 -1.406 -0.022 407 HE2 TYR 62 2HE TYR 62 13.492 -1.907 -1.910 408 HH TYR 62 HH TYR 62 16.108 -3.084 -2.261 409 H LYS 63 H LYS 63 14.539 2.581 3.833 410 HA LYS 63 HA LYS 63 16.336 3.392 1.603 411 1HB LYS 63 2HB LYS 63 15.684 4.821 4.159 412 2HB LYS 63 1HB LYS 63 16.637 5.420 2.848 413 1HG LYS 63 2HG LYS 63 14.664 5.327 1.310 414 2HG LYS 63 1HG LYS 63 13.668 4.778 2.638 415 1HD LYS 63 2HD LYS 63 15.028 7.494 2.465 416 2HD LYS 63 1HD LYS 63 13.333 7.184 2.179 417 1HE LYS 63 2HE LYS 63 13.554 8.095 4.420 418 2HE LYS 63 1HE LYS 63 13.118 6.402 4.576 419 1HZ LYS 63 1HZ LYS 63 15.949 6.838 4.498 420 2HZ LYS 63 2HZ LYS 63 15.010 5.936 5.589 421 3HZ LYS 63 3HZ LYS 63 15.185 7.609 5.802 422 H CYS 64 H CYS 64 18.553 3.717 2.333 423 HA CYS 64 HA CYS 64 19.306 1.832 4.486 424 1HB CYS 64 2HB CYS 64 20.872 2.898 2.177 425 2HB CYS 64 1HB CYS 64 21.470 1.817 3.381 426 H GLN 65 H GLN 65 21.141 2.170 5.633 427 HA GLN 65 HA GLN 65 22.217 4.883 6.155 428 1HB GLN 65 2HB GLN 65 21.266 3.197 8.493 429 2HB GLN 65 1HB GLN 65 21.796 4.837 8.497 430 1HG GLN 65 2HG GLN 65 19.831 5.636 7.302 431 2HG GLN 65 1HG GLN 65 19.216 3.993 7.168 432 1HE2 GLN 65 1HE2 GLN 65 19.039 2.818 9.401 433 2HE2 GLN 65 2HE2 GLN 65 18.435 3.750 10.686 434 H CYS 66 H CYS 66 23.863 4.215 8.236 435 HA CYS 66 HA CYS 66 25.274 1.766 7.329 436 1HB CYS 66 2HB CYS 66 26.590 4.295 8.213 437 2HB CYS 66 1HB CYS 66 27.260 2.905 7.595 438 H GLU 67 H GLU 67 26.556 0.755 8.649 439 HA GLU 67 HA GLU 67 25.821 0.743 11.507 440 1HB GLU 67 2HB GLU 67 25.875 -1.292 10.112 441 2HB GLU 67 1HB GLU 67 27.576 -1.095 9.795 442 1HG GLU 67 2HG GLU 67 26.363 -1.629 12.544 443 2HG GLU 67 1HG GLU 67 27.024 -2.870 11.506 444 H GLU 68 H GLU 68 26.749 2.865 11.656 445 HA GLU 68 HA GLU 68 28.334 4.422 12.264 446 1HB GLU 68 2HB GLU 68 29.439 1.910 13.593 447 2HB GLU 68 1HB GLU 68 29.971 3.527 13.988 448 1HG GLU 68 2HG GLU 68 28.264 2.764 15.604 449 2HG GLU 68 1HG GLU 68 27.650 4.124 14.691 450 H GLY 69 H GLY 69 30.625 1.779 12.024 451 1HA GLY 69 2HA GLY 69 32.706 3.250 10.873 452 2HA GLY 69 1HA GLY 69 32.609 1.494 10.888 453 H PHE 70 H PHE 70 29.936 1.761 9.413 454 HA PHE 70 HA PHE 70 31.038 1.543 6.808 455 1HB PHE 70 2HB PHE 70 28.262 1.371 7.940 456 2HB PHE 70 1HB PHE 70 28.528 1.243 6.210 457 HD1 PHE 70 1HD PHE 70 30.797 -0.248 8.788 458 HD2 PHE 70 2HD PHE 70 27.639 -0.952 6.023 459 HE1 PHE 70 1HE PHE 70 31.093 -2.656 9.079 460 HE2 PHE 70 2HE PHE 70 27.955 -3.366 6.306 461 HZ PHE 70 HZ PHE 70 29.673 -4.228 7.832 462 H GLN 71 H GLN 71 30.288 2.762 4.972 463 HA GLN 71 HA GLN 71 29.290 5.454 5.523 464 1HB GLN 71 2HB GLN 71 31.787 4.568 4.134 465 2HB GLN 71 1HB GLN 71 31.002 5.973 3.516 466 1HG GLN 71 2HG GLN 71 31.843 5.609 6.441 467 2HG GLN 71 1HG GLN 71 32.726 6.574 5.261 468 1HE2 GLN 71 1HE2 GLN 71 31.682 7.841 7.541 469 2HE2 GLN 71 2HE2 GLN 71 30.389 8.849 7.100 470 H LEU 72 H LEU 72 28.889 6.605 3.581 471 HA LEU 72 HA LEU 72 26.914 5.053 2.045 472 1HB LEU 72 2HB LEU 72 26.460 7.394 2.799 473 2HB LEU 72 1HB LEU 72 27.723 7.969 1.730 474 HG LEU 72 HG LEU 72 26.472 6.880 -0.206 475 1HD1 LEU 72 1HD1 LEU 72 25.128 5.226 1.053 476 2HD1 LEU 72 2HD1 LEU 72 24.092 6.287 0.125 477 3HD1 LEU 72 3HD1 LEU 72 24.262 6.527 1.854 478 1HD2 LEU 72 1HD2 LEU 72 24.725 8.656 -0.325 479 2HD2 LEU 72 2HD2 LEU 72 26.243 9.310 0.275 480 3HD2 LEU 72 3HD2 LEU 72 24.929 8.970 1.394 481 H ASP 73 H ASP 73 27.843 3.716 0.657 482 HA ASP 73 HA ASP 73 30.207 4.326 -0.901 483 1HB ASP 73 2HB ASP 73 29.457 1.969 -0.323 484 2HB ASP 73 1HB ASP 73 28.109 2.161 -1.431 485 HA PRO 74 HA PRO 74 27.879 6.714 -3.925 486 1HB PRO 74 2HB PRO 74 29.823 7.259 -5.683 487 2HB PRO 74 1HB PRO 74 29.859 7.939 -4.074 488 1HG PRO 74 2HG PRO 74 31.314 5.528 -5.091 489 2HG PRO 74 1HG PRO 74 31.918 6.893 -4.133 490 1HD PRO 74 2HD PRO 74 31.218 4.517 -3.012 491 2HD PRO 74 1HD PRO 74 31.076 6.069 -2.162 492 H HIS 75 H HIS 75 27.310 6.686 -6.137 493 HA HIS 75 HA HIS 75 26.448 5.693 -8.061 494 1HB HIS 75 2HB HIS 75 28.819 3.793 -7.746 495 2HB HIS 75 1HB HIS 75 27.875 4.038 -9.207 496 HD1 HIS 75 1HD HIS 75 30.417 5.729 -7.134 497 HD2 HIS 75 2HD HIS 75 28.367 6.490 -10.582 498 HE1 HIS 75 1HE HIS 75 31.516 7.676 -8.180 499 H THR 76 H THR 76 26.346 4.325 -5.212 500 HA THR 76 HA THR 76 24.504 2.128 -6.011 501 HB THR 76 HB THR 76 25.434 0.773 -4.067 502 HG1 THR 76 1HG THR 76 27.374 2.827 -4.096 503 1HG2 THR 76 1HG2 THR 76 26.530 0.451 -6.403 504 2HG2 THR 76 2HG2 THR 76 27.647 0.187 -5.073 505 3HG2 THR 76 3HG2 THR 76 27.686 1.698 -5.966 506 H LYS 77 H LYS 77 25.682 4.296 -3.655 507 HA LYS 77 HA LYS 77 24.713 5.550 -1.937 508 1HB LYS 77 2HB LYS 77 22.213 4.679 -3.187 509 2HB LYS 77 1HB LYS 77 22.302 5.941 -1.988 510 1HG LYS 77 2HG LYS 77 23.842 7.226 -3.508 511 2HG LYS 77 1HG LYS 77 23.641 5.987 -4.738 512 1HD LYS 77 2HD LYS 77 21.184 6.428 -4.781 513 2HD LYS 77 1HD LYS 77 21.391 7.671 -3.558 514 1HE LYS 77 2HE LYS 77 22.880 8.946 -5.096 515 2HE LYS 77 1HE LYS 77 22.675 7.703 -6.326 516 1HZ LYS 77 1HZ LYS 77 20.477 9.290 -5.135 517 2HZ LYS 77 2HZ LYS 77 20.338 8.155 -6.391 518 3HZ LYS 77 3HZ LYS 77 21.203 9.596 -6.641 519 H ALA 78 H ALA 78 25.035 2.508 -1.995 520 HA ALA 78 HA ALA 78 23.296 1.693 0.277 521 1HB ALA 78 1HB ALA 78 25.153 0.078 -1.522 522 2HB ALA 78 2HB ALA 78 23.408 0.187 -1.708 523 3HB ALA 78 3HB ALA 78 24.094 -0.596 -0.290 524 H CYS 79 H CYS 79 24.199 1.230 2.251 525 HA CYS 79 HA CYS 79 26.913 2.213 2.682 526 1HB CYS 79 2HB CYS 79 24.848 1.194 4.560 527 2HB CYS 79 1HB CYS 79 26.427 1.665 5.095 528 H LYS 80 H LYS 80 28.585 1.266 3.526 529 HA LYS 80 HA LYS 80 28.649 -1.519 4.359 530 1HB LYS 80 2HB LYS 80 30.234 -2.196 2.859 531 2HB LYS 80 1HB LYS 80 28.696 -1.969 2.064 532 1HG LYS 80 2HG LYS 80 30.154 -1.079 0.422 533 2HG LYS 80 1HG LYS 80 29.533 0.322 1.241 534 1HD LYS 80 2HD LYS 80 31.842 0.694 0.776 535 2HD LYS 80 1HD LYS 80 31.723 0.522 2.500 536 1HE LYS 80 2HE LYS 80 32.608 -1.653 0.556 537 2HE LYS 80 1HE LYS 80 33.678 -0.717 1.581 538 1HZ LYS 80 1HZ LYS 80 32.114 -1.672 3.428 539 2HZ LYS 80 2HZ LYS 80 33.441 -2.545 2.838 540 3HZ LYS 80 3HZ LYS 80 31.878 -2.896 2.273 541 H ALA 81 H ALA 81 30.874 -2.092 5.121 542 HA ALA 81 HA ALA 81 32.104 -0.324 6.843 543 1HB ALA 81 1HB ALA 81 34.093 -1.804 6.733 544 2HB ALA 81 2HB ALA 81 33.464 -2.528 5.260 545 3HB ALA 81 3HB ALA 81 32.600 -2.729 6.776 546 H VAL 82 H VAL 82 33.088 1.573 6.622 547 HA VAL 82 HA VAL 82 33.746 2.874 4.291 548 HB VAL 82 HB VAL 82 33.636 3.943 6.519 549 1HG1 VAL 82 1HG1 VAL 82 35.562 3.787 8.090 550 2HG1 VAL 82 2HG1 VAL 82 36.356 2.639 7.026 551 3HG1 VAL 82 3HG1 VAL 82 34.872 2.195 7.835 552 1HG2 VAL 82 1HG2 VAL 82 35.521 5.522 6.261 553 2HG2 VAL 82 2HG2 VAL 82 34.765 5.176 4.716 554 3HG2 VAL 82 3HG2 VAL 82 36.300 4.429 5.130 Start of MODEL 4 1 H GLY 1 H GLY 1 -26.033 4.312 -1.956 2 1HA GLY 1 2HA GLY 1 -23.595 4.024 -0.586 3 2HA GLY 1 1HA GLY 1 -24.684 5.396 -0.381 4 H THR 2 H THR 2 -24.297 2.017 0.607 5 HA THR 2 HA THR 2 -26.023 1.986 2.784 6 HB THR 2 HB THR 2 -25.135 -0.046 1.827 7 HG1 THR 2 1HG THR 2 -24.568 -1.030 3.793 8 1HG2 THR 2 1HG2 THR 2 -22.764 -0.699 2.293 9 2HG2 THR 2 2HG2 THR 2 -22.507 0.813 3.152 10 3HG2 THR 2 3HG2 THR 2 -22.767 0.823 1.414 11 H ASN 3 H ASN 3 -25.368 1.600 5.026 12 HA ASN 3 HA ASN 3 -23.576 3.774 5.954 13 1HB ASN 3 2HB ASN 3 -26.025 3.688 6.674 14 2HB ASN 3 1HB ASN 3 -25.706 2.156 7.457 15 1HD2 ASN 3 1HD2 ASN 3 -24.641 5.592 7.571 16 2HD2 ASN 3 2HD2 ASN 3 -24.292 5.581 9.232 17 H GLU 4 H GLU 4 -22.624 1.331 5.039 18 HA GLU 4 HA GLU 4 -21.429 -0.025 7.373 19 1HB GLU 4 2HB GLU 4 -21.204 -0.448 4.353 20 2HB GLU 4 1HB GLU 4 -20.492 -1.489 5.563 21 1HG GLU 4 2HG GLU 4 -22.656 -2.074 6.485 22 2HG GLU 4 1HG GLU 4 -23.481 -0.877 5.525 23 H CYS 5 H CYS 5 -20.711 2.094 4.679 24 HA CYS 5 HA CYS 5 -17.921 2.305 5.250 25 1HB CYS 5 2HB CYS 5 -19.760 3.892 3.449 26 2HB CYS 5 1HB CYS 5 -18.027 4.033 3.451 27 H LEU 6 H LEU 6 -20.823 4.159 5.573 28 HA LEU 6 HA LEU 6 -19.918 6.564 6.624 29 1HB LEU 6 2HB LEU 6 -22.472 5.073 7.185 30 2HB LEU 6 1HB LEU 6 -22.236 6.772 7.477 31 HG LEU 6 HG LEU 6 -22.124 5.346 4.766 32 1HD1 LEU 6 1HD1 LEU 6 -24.127 7.359 5.875 33 2HD1 LEU 6 2HD1 LEU 6 -24.433 5.648 5.640 34 3HD1 LEU 6 3HD1 LEU 6 -24.158 6.683 4.251 35 1HD2 LEU 6 1HD2 LEU 6 -20.545 7.292 4.777 36 2HD2 LEU 6 2HD2 LEU 6 -21.837 8.337 5.344 37 3HD2 LEU 6 3HD2 LEU 6 -21.922 7.611 3.747 38 H ASP 7 H ASP 7 -20.821 3.591 8.195 39 HA ASP 7 HA ASP 7 -20.085 4.598 10.917 40 1HB ASP 7 2HB ASP 7 -22.235 3.231 10.459 41 2HB ASP 7 1HB ASP 7 -21.163 1.903 10.024 42 H ASN 8 H ASN 8 -19.120 2.164 11.864 43 HA ASN 8 HA ASN 8 -16.400 2.260 11.358 44 1HB ASN 8 2HB ASN 8 -18.107 0.043 12.212 45 2HB ASN 8 1HB ASN 8 -16.364 -0.012 12.390 46 1HD2 ASN 8 1HD2 ASN 8 -19.331 1.287 13.727 47 2HD2 ASN 8 2HD2 ASN 8 -18.618 2.141 15.007 48 H ASN 9 H ASN 9 -15.568 2.065 9.400 49 HA ASN 9 HA ASN 9 -16.490 1.229 7.004 50 1HB ASN 9 2HB ASN 9 -14.322 2.281 7.453 51 2HB ASN 9 1HB ASN 9 -13.722 0.747 8.083 52 1HD2 ASN 9 1HD2 ASN 9 -13.280 -0.954 6.640 53 2HD2 ASN 9 2HD2 ASN 9 -13.108 -0.695 4.984 54 H GLY 10 H GLY 10 -17.917 -0.508 7.342 55 1HA GLY 10 2HA GLY 10 -18.630 -2.688 7.171 56 2HA GLY 10 1HA GLY 10 -17.103 -2.994 6.367 57 H GLY 11 H GLY 11 -16.610 -1.750 9.414 58 1HA GLY 11 2HA GLY 11 -16.990 -3.343 11.479 59 2HA GLY 11 1HA GLY 11 -15.860 -4.362 10.582 60 H CYS 12 H CYS 12 -14.282 -2.301 9.484 61 HA CYS 12 HA CYS 12 -12.743 -1.442 11.868 62 1HB CYS 12 2HB CYS 12 -10.898 -1.395 10.365 63 2HB CYS 12 1HB CYS 12 -11.750 -2.909 10.157 64 H SER 13 H SER 13 -11.411 0.302 9.639 65 HA SER 13 HA SER 13 -13.261 2.474 9.162 66 1HB SER 13 2HB SER 13 -12.036 4.123 10.592 67 2HB SER 13 1HB SER 13 -12.696 2.810 11.575 68 HG SER 13 HG SER 13 -10.510 1.792 10.927 69 H HIS 14 H HIS 14 -11.696 0.745 7.637 70 HA HIS 14 HA HIS 14 -9.592 2.460 6.440 71 1HB HIS 14 2HB HIS 14 -10.061 -0.550 6.395 72 2HB HIS 14 1HB HIS 14 -8.741 0.277 5.605 73 HD1 HIS 14 1HD HIS 14 -9.371 -1.370 8.630 74 HD2 HIS 14 2HD HIS 14 -7.266 2.003 7.703 75 HE1 HIS 14 1HE HIS 14 -7.849 -0.960 10.529 76 H VAL 15 H VAL 15 -10.380 -0.050 4.412 77 HA VAL 15 HA VAL 15 -12.056 1.665 2.667 78 HB VAL 15 HB VAL 15 -9.859 1.018 1.866 79 1HG1 VAL 15 1HG1 VAL 15 -10.703 -1.880 2.146 80 2HG1 VAL 15 2HG1 VAL 15 -9.479 -1.042 3.078 81 3HG1 VAL 15 3HG1 VAL 15 -9.250 -1.302 1.361 82 1HG2 VAL 15 1HG2 VAL 15 -12.101 -0.538 0.427 83 2HG2 VAL 15 2HG2 VAL 15 -10.585 -0.081 -0.326 84 3HG2 VAL 15 3HG2 VAL 15 -11.732 1.156 0.160 85 H CYS 16 H CYS 16 -14.132 1.209 2.738 86 HA CYS 16 HA CYS 16 -15.170 -1.310 3.717 87 1HB CYS 16 2HB CYS 16 -17.331 -0.237 3.270 88 2HB CYS 16 1HB CYS 16 -16.302 0.783 4.218 89 H ASN 17 H ASN 17 -14.521 -2.915 2.359 90 HA ASN 17 HA ASN 17 -15.063 -2.718 -0.541 91 1HB ASN 17 2HB ASN 17 -12.986 -3.723 0.106 92 2HB ASN 17 1HB ASN 17 -13.719 -4.787 1.271 93 1HD2 ASN 17 1HD2 ASN 17 -13.116 -6.773 0.203 94 2HD2 ASN 17 2HD2 ASN 17 -13.664 -7.210 -1.337 95 H ASP 18 H ASP 18 -17.089 -2.472 -0.450 96 HA ASP 18 HA ASP 18 -19.021 -3.951 1.029 97 1HB ASP 18 2HB ASP 18 -19.407 -1.660 0.125 98 2HB ASP 18 1HB ASP 18 -19.432 -2.309 -1.505 99 H LEU 19 H LEU 19 -18.551 -6.089 0.701 100 HA LEU 19 HA LEU 19 -18.504 -7.459 -1.769 101 1HB LEU 19 2HB LEU 19 -17.694 -8.106 0.655 102 2HB LEU 19 1HB LEU 19 -19.362 -8.507 0.942 103 HG LEU 19 HG LEU 19 -19.329 -10.184 -0.890 104 1HD1 LEU 19 1HD1 LEU 19 -17.100 -10.764 -1.833 105 2HD1 LEU 19 2HD1 LEU 19 -16.369 -9.459 -0.900 106 3HD1 LEU 19 3HD1 LEU 19 -17.481 -9.094 -2.204 107 1HD2 LEU 19 1HD2 LEU 19 -17.960 -11.804 0.396 108 2HD2 LEU 19 2HD2 LEU 19 -18.893 -10.778 1.463 109 3HD2 LEU 19 3HD2 LEU 19 -17.181 -10.474 1.245 110 H LYS 20 H LYS 20 -20.253 -9.196 -2.255 111 HA LYS 20 HA LYS 20 -22.794 -7.837 -2.520 112 1HB LYS 20 2HB LYS 20 -23.533 -9.953 -3.561 113 2HB LYS 20 1HB LYS 20 -21.975 -9.470 -4.202 114 1HG LYS 20 2HG LYS 20 -20.842 -11.098 -2.646 115 2HG LYS 20 1HG LYS 20 -22.415 -11.632 -2.090 116 1HD LYS 20 2HD LYS 20 -21.457 -11.833 -4.961 117 2HD LYS 20 1HD LYS 20 -21.496 -13.151 -3.809 118 1HE LYS 20 2HE LYS 20 -23.981 -12.914 -3.624 119 2HE LYS 20 1HE LYS 20 -23.942 -11.612 -4.805 120 1HZ LYS 20 1HZ LYS 20 -23.342 -14.459 -5.203 121 2HZ LYS 20 2HZ LYS 20 -22.767 -13.280 -6.283 122 3HZ LYS 20 3HZ LYS 20 -24.437 -13.462 -6.036 123 H ILE 21 H ILE 21 -21.554 -10.519 -0.579 124 HA ILE 21 HA ILE 21 -23.486 -10.012 1.566 125 HB ILE 21 HB ILE 21 -23.030 -12.692 0.178 126 1HG1 ILE 21 2HG1 ILE 21 -25.562 -10.985 0.360 127 2HG1 ILE 21 1HG1 ILE 21 -24.604 -11.242 -1.083 128 1HG2 ILE 21 1HG2 ILE 21 -23.219 -12.926 2.633 129 2HG2 ILE 21 2HG2 ILE 21 -24.648 -13.587 1.870 130 3HG2 ILE 21 3HG2 ILE 21 -24.710 -11.995 2.621 131 1HD1 ILE 21 1HD1 ILE 21 -25.109 -13.653 -1.051 132 2HD1 ILE 21 2HD1 ILE 21 -26.574 -12.688 -1.126 133 3HD1 ILE 21 3HD1 ILE 21 -26.102 -13.442 0.382 134 H GLY 22 H GLY 22 -22.025 -9.578 3.163 135 1HA GLY 22 2HA GLY 22 -20.599 -10.393 4.877 136 2HA GLY 22 1HA GLY 22 -19.916 -11.493 3.711 137 H TYR 23 H TYR 23 -20.434 -8.084 3.618 138 HA TYR 23 HA TYR 23 -18.323 -6.994 2.267 139 1HB TYR 23 2HB TYR 23 -19.091 -5.679 4.864 140 2HB TYR 23 1HB TYR 23 -18.712 -4.948 3.318 141 HD1 TYR 23 1HD TYR 23 -20.399 -5.330 1.345 142 HD2 TYR 23 2HD TYR 23 -21.285 -6.218 5.392 143 HE1 TYR 23 1HE TYR 23 -22.789 -5.336 0.806 144 HE2 TYR 23 2HE TYR 23 -23.688 -6.232 4.867 145 HH TYR 23 HH TYR 23 -25.112 -6.620 2.810 146 H GLU 24 H GLU 24 -16.203 -6.031 2.847 147 HA GLU 24 HA GLU 24 -15.079 -6.992 5.374 148 1HB GLU 24 2HB GLU 24 -13.196 -7.839 4.076 149 2HB GLU 24 1HB GLU 24 -14.643 -8.798 3.873 150 1HG GLU 24 2HG GLU 24 -14.985 -7.399 1.690 151 2HG GLU 24 1HG GLU 24 -13.383 -6.744 2.000 152 H CYS 25 H CYS 25 -12.956 -6.334 5.734 153 HA CYS 25 HA CYS 25 -12.500 -3.556 5.055 154 1HB CYS 25 2HB CYS 25 -12.855 -4.011 7.412 155 2HB CYS 25 1HB CYS 25 -11.612 -5.236 7.403 156 H LEU 26 H LEU 26 -11.179 -3.694 3.173 157 HA LEU 26 HA LEU 26 -8.842 -5.472 3.189 158 1HB LEU 26 2HB LEU 26 -9.569 -3.328 1.158 159 2HB LEU 26 1HB LEU 26 -8.512 -4.674 0.963 160 HG LEU 26 HG LEU 26 -11.501 -4.927 1.346 161 1HD1 LEU 26 1HD1 LEU 26 -10.909 -3.951 -0.856 162 2HD1 LEU 26 2HD1 LEU 26 -11.482 -5.588 -1.079 163 3HD1 LEU 26 3HD1 LEU 26 -9.770 -5.256 -1.150 164 1HD2 LEU 26 1HD2 LEU 26 -10.303 -6.919 2.192 165 2HD2 LEU 26 2HD2 LEU 26 -9.444 -7.058 0.661 166 3HD2 LEU 26 3HD2 LEU 26 -11.185 -7.280 0.718 167 H CYS 27 H CYS 27 -7.010 -3.951 1.922 168 HA CYS 27 HA CYS 27 -6.102 -2.050 3.974 169 1HB CYS 27 2HB CYS 27 -4.661 -3.608 1.855 170 2HB CYS 27 1HB CYS 27 -3.898 -2.441 2.899 171 HA PRO 28 HA PRO 28 -7.023 1.260 1.052 172 1HB PRO 28 2HB PRO 28 -5.184 2.805 2.847 173 2HB PRO 28 1HB PRO 28 -6.809 3.182 2.343 174 1HG PRO 28 2HG PRO 28 -6.361 2.326 4.797 175 2HG PRO 28 1HG PRO 28 -7.791 1.773 3.904 176 1HD PRO 28 2HD PRO 28 -5.207 0.340 4.408 177 2HD PRO 28 1HD PRO 28 -6.882 -0.259 4.468 178 H ASP 29 H ASP 29 -3.766 1.391 2.399 179 HA ASP 29 HA ASP 29 -2.574 2.144 -0.145 180 1HB ASP 29 2HB ASP 29 -0.528 2.310 1.173 181 2HB ASP 29 1HB ASP 29 -1.829 3.076 2.041 182 H GLY 30 H GLY 30 -0.257 0.967 -0.296 183 1HA GLY 30 2HA GLY 30 -0.692 -1.454 -1.605 184 2HA GLY 30 1HA GLY 30 0.871 -0.799 -1.201 185 H PHE 31 H PHE 31 -0.300 -1.136 1.796 186 HA PHE 31 HA PHE 31 1.222 -3.493 2.328 187 1HB PHE 31 2HB PHE 31 -0.789 -1.938 3.972 188 2HB PHE 31 1HB PHE 31 0.120 -3.275 4.603 189 HD1 PHE 31 1HD PHE 31 2.169 -1.563 2.199 190 HD2 PHE 31 2HD PHE 31 0.804 -1.306 6.238 191 HE1 PHE 31 1HE PHE 31 4.055 -0.170 2.738 192 HE2 PHE 31 2HE PHE 31 2.733 0.107 6.766 193 HZ PHE 31 HZ PHE 31 4.371 0.662 5.005 194 H GLN 32 H GLN 32 0.462 -5.271 3.605 195 HA GLN 32 HA GLN 32 -1.732 -6.681 2.210 196 1HB GLN 32 2HB GLN 32 0.532 -7.649 3.986 197 2HB GLN 32 1HB GLN 32 -0.612 -8.670 3.150 198 1HG GLN 32 2HG GLN 32 0.186 -7.790 0.955 199 2HG GLN 32 1HG GLN 32 1.312 -6.724 1.787 200 1HE2 GLN 32 1HE2 GLN 32 0.801 -9.970 0.670 201 2HE2 GLN 32 2HE2 GLN 32 2.263 -10.615 1.244 202 H LEU 33 H LEU 33 -3.448 -7.595 3.306 203 HA LEU 33 HA LEU 33 -4.031 -6.455 5.966 204 1HB LEU 33 2HB LEU 33 -5.745 -6.737 3.998 205 2HB LEU 33 1HB LEU 33 -5.745 -8.442 4.380 206 HG LEU 33 HG LEU 33 -6.257 -7.690 6.830 207 1HD1 LEU 33 1HD1 LEU 33 -5.703 -5.313 6.539 208 2HD1 LEU 33 2HD1 LEU 33 -7.383 -5.461 7.007 209 3HD1 LEU 33 3HD1 LEU 33 -6.970 -5.146 5.336 210 1HD2 LEU 33 1HD2 LEU 33 -8.375 -7.282 4.709 211 2HD2 LEU 33 2HD2 LEU 33 -8.672 -7.539 6.423 212 3HD2 LEU 33 3HD2 LEU 33 -7.935 -8.812 5.466 213 H VAL 34 H VAL 34 -1.983 -7.807 6.597 214 HA VAL 34 HA VAL 34 -2.371 -10.642 6.980 215 HB VAL 34 HB VAL 34 -0.163 -10.495 8.088 216 1HG1 VAL 34 1HG1 VAL 34 -0.402 -9.063 5.415 217 2HG1 VAL 34 2HG1 VAL 34 -0.337 -10.803 5.634 218 3HG1 VAL 34 3HG1 VAL 34 1.063 -9.820 6.024 219 1HG2 VAL 34 1HG2 VAL 34 -0.327 -8.227 9.060 220 2HG2 VAL 34 2HG2 VAL 34 -0.371 -7.533 7.445 221 3HG2 VAL 34 3HG2 VAL 34 1.069 -8.366 8.011 222 H ALA 35 H ALA 35 -2.194 -7.893 9.187 223 HA ALA 35 HA ALA 35 -2.812 -9.522 11.455 224 1HB ALA 35 1HB ALA 35 -1.195 -7.734 11.643 225 2HB ALA 35 2HB ALA 35 -2.554 -7.342 12.684 226 3HB ALA 35 3HB ALA 35 -2.369 -6.550 11.123 227 H GLN 36 H GLN 36 -4.845 -9.972 9.977 228 HA GLN 36 HA GLN 36 -7.139 -10.122 9.910 229 1HB GLN 36 2HB GLN 36 -6.989 -8.496 12.504 230 2HB GLN 36 1HB GLN 36 -8.410 -9.330 11.922 231 1HG GLN 36 2HG GLN 36 -7.224 -11.498 12.020 232 2HG GLN 36 1HG GLN 36 -5.760 -10.693 12.565 233 1HE2 GLN 36 1HE2 GLN 36 -5.601 -10.138 14.770 234 2HE2 GLN 36 2HE2 GLN 36 -6.829 -10.431 15.903 235 H ARG 37 H ARG 37 -7.093 -6.904 11.349 236 HA ARG 37 HA ARG 37 -8.347 -5.767 8.871 237 1HB ARG 37 2HB ARG 37 -8.862 -5.020 11.782 238 2HB ARG 37 1HB ARG 37 -9.439 -4.085 10.427 239 1HG ARG 37 2HG ARG 37 -11.252 -5.440 11.285 240 2HG ARG 37 1HG ARG 37 -10.835 -5.973 9.676 241 1HD ARG 37 2HD ARG 37 -9.667 -7.918 10.569 242 2HD ARG 37 1HD ARG 37 -9.951 -7.385 12.228 243 HE ARG 37 HE ARG 37 -12.473 -7.460 11.296 244 1HH1 ARG 37 2HH1 ARG 37 -9.871 -9.725 10.833 245 2HH1 ARG 37 1HH1 ARG 37 -10.944 -11.074 10.681 246 1HH2 ARG 37 1HH2 ARG 37 -13.824 -9.159 11.099 247 2HH2 ARG 37 2HH2 ARG 37 -13.203 -10.753 10.829 248 H ARG 38 H ARG 38 -5.656 -5.892 10.578 249 HA ARG 38 HA ARG 38 -4.829 -3.041 10.272 250 1HB ARG 38 2HB ARG 38 -4.571 -3.947 12.517 251 2HB ARG 38 1HB ARG 38 -3.723 -5.349 11.936 252 1HG ARG 38 2HG ARG 38 -1.876 -3.802 11.112 253 2HG ARG 38 1HG ARG 38 -2.760 -2.450 11.804 254 1HD ARG 38 2HD ARG 38 -2.589 -3.527 14.073 255 2HD ARG 38 1HD ARG 38 -1.721 -4.871 13.345 256 HE ARG 38 HE ARG 38 0.184 -3.506 13.071 257 1HH1 ARG 38 2HH1 ARG 38 -2.547 -1.665 14.175 258 2HH1 ARG 38 1HH1 ARG 38 -1.588 -0.278 14.559 259 1HH2 ARG 38 1HH2 ARG 38 1.402 -1.766 13.552 260 2HH2 ARG 38 2HH2 ARG 38 0.681 -0.332 14.203 261 H CYS 39 H CYS 39 -3.639 -2.597 8.600 262 HA CYS 39 HA CYS 39 -2.501 -4.747 6.946 263 1HB CYS 39 2HB CYS 39 -2.913 -1.815 6.419 264 2HB CYS 39 1HB CYS 39 -2.358 -2.988 5.240 265 H GLU 40 H GLU 40 -0.479 -4.917 6.271 266 HA GLU 40 HA GLU 40 1.628 -3.022 6.934 267 1HB GLU 40 2HB GLU 40 1.317 -4.246 9.091 268 2HB GLU 40 1HB GLU 40 1.654 -5.756 8.259 269 1HG GLU 40 2HG GLU 40 3.898 -4.883 7.591 270 2HG GLU 40 1HG GLU 40 3.548 -3.369 8.403 271 H ASP 41 H ASP 41 3.425 -3.329 5.705 272 HA ASP 41 HA ASP 41 3.341 -5.423 3.618 273 1HB ASP 41 2HB ASP 41 3.396 -3.181 2.885 274 2HB ASP 41 1HB ASP 41 4.799 -2.772 3.849 275 H ILE 42 H ILE 42 5.431 -6.201 2.916 276 HA ILE 42 HA ILE 42 6.839 -7.384 5.072 277 HB ILE 42 HB ILE 42 8.358 -8.314 3.293 278 1HG1 ILE 42 2HG1 ILE 42 6.814 -6.468 1.396 279 2HG1 ILE 42 1HG1 ILE 42 8.479 -6.240 1.876 280 1HG2 ILE 42 1HG2 ILE 42 5.396 -8.318 2.539 281 2HG2 ILE 42 2HG2 ILE 42 6.157 -9.382 3.710 282 3HG2 ILE 42 3HG2 ILE 42 6.565 -9.515 2.014 283 1HD1 ILE 42 1HD1 ILE 42 7.435 -8.639 0.321 284 2HD1 ILE 42 2HD1 ILE 42 9.098 -8.395 0.827 285 3HD1 ILE 42 3HD1 ILE 42 8.359 -7.303 -0.332 286 H ASP 43 H ASP 43 9.197 -7.063 5.497 287 HA ASP 43 HA ASP 43 10.003 -4.190 5.158 288 1HB ASP 43 2HB ASP 43 9.683 -5.212 7.478 289 2HB ASP 43 1HB ASP 43 11.051 -6.253 7.136 290 H GLU 44 H GLU 44 11.290 -3.923 3.569 291 HA GLU 44 HA GLU 44 12.767 -6.009 2.270 292 1HB GLU 44 2HB GLU 44 13.132 -3.009 2.038 293 2HB GLU 44 1HB GLU 44 13.633 -4.212 0.873 294 1HG GLU 44 2HG GLU 44 11.653 -3.194 0.075 295 2HG GLU 44 1HG GLU 44 11.210 -4.828 0.496 296 H CYS 45 H CYS 45 13.520 -3.668 4.764 297 HA CYS 45 HA CYS 45 16.325 -3.779 4.547 298 1HB CYS 45 2HB CYS 45 14.600 -3.133 6.961 299 2HB CYS 45 1HB CYS 45 16.294 -2.923 6.876 300 H GLN 46 H GLN 46 14.306 -5.083 6.989 301 HA GLN 46 HA GLN 46 15.894 -6.657 8.520 302 1HB GLN 46 2HB GLN 46 13.107 -7.243 7.495 303 2HB GLN 46 1HB GLN 46 13.852 -8.136 8.791 304 1HG GLN 46 2HG GLN 46 13.407 -5.110 8.784 305 2HG GLN 46 1HG GLN 46 12.382 -6.254 9.639 306 1HE2 GLN 46 1HE2 GLN 46 15.155 -4.291 9.887 307 2HE2 GLN 46 2HE2 GLN 46 15.771 -4.926 11.336 308 H ASP 47 H ASP 47 14.685 -7.634 5.380 309 HA ASP 47 HA ASP 47 15.755 -10.270 5.575 310 1HB ASP 47 2HB ASP 47 13.767 -9.774 4.170 311 2HB ASP 47 1HB ASP 47 14.749 -8.754 3.132 312 HA PRO 48 HA PRO 48 19.832 -8.857 4.259 313 1HB PRO 48 2HB PRO 48 21.168 -11.166 4.446 314 2HB PRO 48 1HB PRO 48 20.493 -10.416 5.871 315 1HG PRO 48 2HG PRO 48 19.359 -12.665 4.255 316 2HG PRO 48 1HG PRO 48 19.498 -12.510 6.015 317 1HD PRO 48 2HD PRO 48 17.210 -11.962 4.595 318 2HD PRO 48 1HD PRO 48 17.602 -11.265 6.180 319 H ASP 49 H ASP 49 18.494 -8.565 2.128 320 HA ASP 49 HA ASP 49 20.030 -9.904 -0.017 321 1HB ASP 49 2HB ASP 49 17.881 -11.171 0.216 322 2HB ASP 49 1HB ASP 49 17.014 -9.647 0.070 323 H THR 50 H THR 50 17.985 -7.373 1.156 324 HA THR 50 HA THR 50 18.017 -5.685 -1.162 325 HB THR 50 HB THR 50 17.454 -5.045 1.797 326 HG1 THR 50 1HG THR 50 15.331 -5.348 0.921 327 1HG2 THR 50 1HG2 THR 50 16.139 -3.161 0.868 328 2HG2 THR 50 2HG2 THR 50 16.541 -3.635 -0.778 329 3HG2 THR 50 3HG2 THR 50 17.778 -2.965 0.272 330 H CYS 51 H CYS 51 19.274 -4.281 1.805 331 HA CYS 51 HA CYS 51 21.495 -3.082 0.321 332 1HB CYS 51 2HB CYS 51 20.772 -2.916 3.244 333 2HB CYS 51 1HB CYS 51 21.744 -1.794 2.330 334 H SER 52 H SER 52 23.805 -3.185 1.261 335 HA SER 52 HA SER 52 24.587 -5.906 1.621 336 1HB SER 52 2HB SER 52 26.114 -3.299 2.104 337 2HB SER 52 1HB SER 52 26.838 -4.905 1.935 338 HG SER 52 HG SER 52 25.385 -3.412 0.048 339 H GLN 53 H GLN 53 24.166 -3.174 3.772 340 HA GLN 53 HA GLN 53 24.090 -5.000 6.121 341 1HB GLN 53 2HB GLN 53 25.664 -2.397 5.951 342 2HB GLN 53 1HB GLN 53 25.357 -3.288 7.433 343 1HG GLN 53 2HG GLN 53 26.816 -4.389 5.024 344 2HG GLN 53 1HG GLN 53 27.612 -3.735 6.450 345 1HE2 GLN 53 1HE2 GLN 53 26.983 -6.616 5.102 346 2HE2 GLN 53 2HE2 GLN 53 26.714 -7.568 6.482 347 H LEU 54 H LEU 54 24.089 -1.492 6.450 348 HA LEU 54 HA LEU 54 21.568 -1.601 7.750 349 1HB LEU 54 2HB LEU 54 23.079 0.750 6.684 350 2HB LEU 54 1HB LEU 54 21.659 0.834 7.707 351 HG LEU 54 HG LEU 54 24.404 -0.144 8.489 352 1HD1 LEU 54 1HD1 LEU 54 23.881 2.324 8.328 353 2HD1 LEU 54 2HD1 LEU 54 24.119 1.829 10.006 354 3HD1 LEU 54 3HD1 LEU 54 22.500 2.075 9.367 355 1HD2 LEU 54 1HD2 LEU 54 22.581 -1.538 9.532 356 2HD2 LEU 54 2HD2 LEU 54 21.804 -0.049 10.068 357 3HD2 LEU 54 3HD2 LEU 54 23.387 -0.500 10.703 358 H CYS 55 H CYS 55 19.938 -0.320 7.477 359 HA CYS 55 HA CYS 55 19.025 0.667 4.897 360 1HB CYS 55 2HB CYS 55 18.782 -1.799 4.604 361 2HB CYS 55 1HB CYS 55 17.857 -1.909 6.040 362 H VAL 56 H VAL 56 16.536 1.085 5.098 363 HA VAL 56 HA VAL 56 15.567 1.720 7.777 364 HB VAL 56 HB VAL 56 17.046 3.669 7.370 365 1HG1 VAL 56 1HG1 VAL 56 17.185 3.656 4.907 366 2HG1 VAL 56 2HG1 VAL 56 16.726 5.234 5.500 367 3HG1 VAL 56 3HG1 VAL 56 15.520 4.198 4.775 368 1HG2 VAL 56 1HG2 VAL 56 15.372 5.498 7.539 369 2HG2 VAL 56 2HG2 VAL 56 14.925 4.116 8.524 370 3HG2 VAL 56 3HG2 VAL 56 14.115 4.402 6.992 371 H ASN 57 H ASN 57 13.844 0.604 7.443 372 HA ASN 57 HA ASN 57 12.268 0.671 4.983 373 1HB ASN 57 2HB ASN 57 12.670 -1.442 6.215 374 2HB ASN 57 1HB ASN 57 11.813 -0.787 7.599 375 1HD2 ASN 57 1HD2 ASN 57 9.920 -2.004 7.687 376 2HD2 ASN 57 2HD2 ASN 57 8.852 -2.215 6.384 377 H LEU 58 H LEU 58 10.082 0.848 4.984 378 HA LEU 58 HA LEU 58 8.331 2.132 6.831 379 1HB LEU 58 2HB LEU 58 8.085 4.359 5.808 380 2HB LEU 58 1HB LEU 58 9.710 4.170 6.371 381 HG LEU 58 HG LEU 58 8.995 3.751 3.433 382 1HD1 LEU 58 1HD1 LEU 58 10.083 6.242 4.846 383 2HD1 LEU 58 2HD1 LEU 58 8.465 6.095 4.179 384 3HD1 LEU 58 3HD1 LEU 58 9.859 6.060 3.113 385 1HD2 LEU 58 1HD2 LEU 58 11.429 4.163 3.184 386 2HD2 LEU 58 2HD2 LEU 58 11.160 2.791 4.231 387 3HD2 LEU 58 3HD2 LEU 58 11.596 4.347 4.915 388 H GLU 59 H GLU 59 6.913 3.479 4.810 389 HA GLU 59 HA GLU 59 5.491 1.236 3.681 390 1HB GLU 59 2HB GLU 59 4.319 3.361 4.488 391 2HB GLU 59 1HB GLU 59 5.109 4.253 3.203 392 1HG GLU 59 2HG GLU 59 3.864 2.924 1.489 393 2HG GLU 59 1HG GLU 59 3.150 1.942 2.746 394 H GLY 60 H GLY 60 6.927 0.258 2.726 395 1HA GLY 60 2HA GLY 60 7.942 -0.653 0.966 396 2HA GLY 60 1HA GLY 60 6.736 0.200 0.007 397 H GLY 61 H GLY 61 8.234 2.555 1.578 398 1HA GLY 61 2HA GLY 61 9.920 3.355 -0.697 399 2HA GLY 61 1HA GLY 61 9.494 4.345 0.693 400 H TYR 62 H TYR 62 10.694 1.376 1.545 401 HA TYR 62 HA TYR 62 12.775 2.071 3.157 402 1HB TYR 62 2HB TYR 62 13.705 -0.162 2.935 403 2HB TYR 62 1HB TYR 62 11.964 -0.289 2.742 404 HD1 TYR 62 1HD TYR 62 15.165 -0.748 1.193 405 HD2 TYR 62 2HD TYR 62 11.025 -0.337 0.312 406 HE1 TYR 62 1HE TYR 62 15.569 -1.625 -1.044 407 HE2 TYR 62 2HE TYR 62 11.426 -1.218 -1.938 408 HH TYR 62 HH TYR 62 13.841 -2.941 -2.836 409 H LYS 63 H LYS 63 14.953 2.549 3.123 410 HA LYS 63 HA LYS 63 16.318 2.723 0.509 411 1HB LYS 63 2HB LYS 63 16.337 4.760 2.739 412 2HB LYS 63 1HB LYS 63 17.269 4.796 1.291 413 1HG LYS 63 2HG LYS 63 15.156 4.896 -0.083 414 2HG LYS 63 1HG LYS 63 14.232 4.883 1.412 415 1HD LYS 63 2HD LYS 63 15.258 7.005 2.121 416 2HD LYS 63 1HD LYS 63 16.226 7.047 0.655 417 1HE LYS 63 2HE LYS 63 14.137 7.094 -0.715 418 2HE LYS 63 1HE LYS 63 13.175 7.069 0.758 419 1HZ LYS 63 1HZ LYS 63 13.269 9.273 0.420 420 2HZ LYS 63 2HZ LYS 63 14.756 9.218 -0.396 421 3HZ LYS 63 3HZ LYS 63 14.715 9.121 1.299 422 H CYS 64 H CYS 64 18.650 2.834 0.828 423 HA CYS 64 HA CYS 64 19.500 1.084 3.043 424 1HB CYS 64 2HB CYS 64 20.924 1.905 0.555 425 2HB CYS 64 1HB CYS 64 21.515 0.814 1.747 426 H GLN 65 H GLN 65 21.438 1.379 4.049 427 HA GLN 65 HA GLN 65 22.645 4.111 4.241 428 1HB GLN 65 2HB GLN 65 22.056 2.501 6.749 429 2HB GLN 65 1HB GLN 65 22.546 4.142 6.628 430 1HG GLN 65 2HG GLN 65 19.796 3.164 5.770 431 2HG GLN 65 1HG GLN 65 20.156 4.028 7.249 432 1HE2 GLN 65 1HE2 GLN 65 21.965 6.013 6.204 433 2HE2 GLN 65 2HE2 GLN 65 21.079 7.023 5.166 434 H CYS 66 H CYS 66 24.573 3.506 6.108 435 HA CYS 66 HA CYS 66 25.923 1.079 5.052 436 1HB CYS 66 2HB CYS 66 27.275 3.628 5.771 437 2HB CYS 66 1HB CYS 66 27.911 2.263 5.088 438 H GLU 67 H GLU 67 27.238 0.045 6.292 439 HA GLU 67 HA GLU 67 26.849 0.265 9.219 440 1HB GLU 67 2HB GLU 67 26.758 -1.915 7.895 441 2HB GLU 67 1HB GLU 67 28.480 -1.809 7.665 442 1HG GLU 67 2HG GLU 67 27.033 -2.021 10.346 443 2HG GLU 67 1HG GLU 67 27.919 -3.307 9.564 444 H GLU 68 H GLU 68 27.976 2.334 9.201 445 HA GLU 68 HA GLU 68 29.771 3.740 9.546 446 1HB GLU 68 2HB GLU 68 30.865 1.158 10.720 447 2HB GLU 68 1HB GLU 68 31.550 2.741 11.021 448 1HG GLU 68 2HG GLU 68 29.354 3.479 11.990 449 2HG GLU 68 1HG GLU 68 28.681 1.887 11.673 450 H GLY 69 H GLY 69 31.765 0.915 9.016 451 1HA GLY 69 2HA GLY 69 33.814 2.183 7.612 452 2HA GLY 69 1HA GLY 69 33.552 0.447 7.656 453 H PHE 70 H PHE 70 30.769 0.997 6.458 454 HA PHE 70 HA PHE 70 31.618 0.652 3.769 455 1HB PHE 70 2HB PHE 70 28.983 0.772 5.153 456 2HB PHE 70 1HB PHE 70 29.022 0.683 3.397 457 HD1 PHE 70 1HD PHE 70 31.347 -1.122 5.727 458 HD2 PHE 70 2HD PHE 70 27.928 -1.423 3.205 459 HE1 PHE 70 1HE PHE 70 31.411 -3.549 5.945 460 HE2 PHE 70 2HE PHE 70 28.010 -3.852 3.418 461 HZ PHE 70 HZ PHE 70 29.741 -4.933 4.782 462 H GLN 71 H GLN 71 30.865 1.931 1.983 463 HA GLN 71 HA GLN 71 30.268 4.736 2.563 464 1HB GLN 71 2HB GLN 71 32.518 3.509 1.016 465 2HB GLN 71 1HB GLN 71 31.889 5.008 0.429 466 1HG GLN 71 2HG GLN 71 32.873 4.540 3.290 467 2HG GLN 71 1HG GLN 71 33.800 5.360 2.035 468 1HE2 GLN 71 1HE2 GLN 71 33.123 6.771 4.365 469 2HE2 GLN 71 2HE2 GLN 71 31.967 7.961 4.002 470 H LEU 72 H LEU 72 29.959 5.936 0.593 471 HA LEU 72 HA LEU 72 27.633 4.747 -0.751 472 1HB LEU 72 2HB LEU 72 27.651 7.143 -0.044 473 2HB LEU 72 1HB LEU 72 28.937 7.463 -1.192 474 HG LEU 72 HG LEU 72 27.405 6.573 -3.029 475 1HD1 LEU 72 1HD1 LEU 72 25.280 6.680 -0.857 476 2HD1 LEU 72 2HD1 LEU 72 25.856 5.224 -1.650 477 3HD1 LEU 72 3HD1 LEU 72 24.979 6.430 -2.566 478 1HD2 LEU 72 1HD2 LEU 72 26.366 8.948 -1.426 479 2HD2 LEU 72 2HD2 LEU 72 26.010 8.633 -3.120 480 3HD2 LEU 72 3HD2 LEU 72 27.653 9.010 -2.623 481 H ASP 73 H ASP 73 28.238 3.229 -2.130 482 HA ASP 73 HA ASP 73 30.521 3.424 -3.919 483 1HB ASP 73 2HB ASP 73 29.635 1.229 -3.132 484 2HB ASP 73 1HB ASP 73 28.121 1.531 -3.966 485 HA PRO 74 HA PRO 74 28.122 6.029 -6.731 486 1HB PRO 74 2HB PRO 74 29.968 6.343 -8.688 487 2HB PRO 74 1HB PRO 74 30.106 7.152 -7.146 488 1HG PRO 74 2HG PRO 74 31.425 4.612 -8.022 489 2HG PRO 74 1HG PRO 74 32.131 6.026 -7.218 490 1HD PRO 74 2HD PRO 74 31.464 3.817 -5.855 491 2HD PRO 74 1HD PRO 74 31.301 5.433 -5.144 492 H HIS 75 H HIS 75 27.408 5.991 -8.926 493 HA HIS 75 HA HIS 75 26.327 5.021 -10.743 494 1HB HIS 75 2HB HIS 75 28.503 2.893 -10.485 495 2HB HIS 75 1HB HIS 75 27.478 3.155 -11.887 496 HD1 HIS 75 1HD HIS 75 30.281 4.754 -10.064 497 HD2 HIS 75 2HD HIS 75 28.148 5.392 -13.488 498 HE1 HIS 75 1HE HIS 75 31.490 6.500 -11.321 499 H THR 76 H THR 76 26.280 3.782 -7.825 500 HA THR 76 HA THR 76 24.113 1.833 -8.384 501 HB THR 76 HB THR 76 25.090 0.333 -6.563 502 HG1 THR 76 1HG THR 76 26.264 1.828 -5.495 503 1HG2 THR 76 1HG2 THR 76 27.185 0.971 -8.736 504 2HG2 THR 76 2HG2 THR 76 25.820 -0.096 -9.023 505 3HG2 THR 76 3HG2 THR 76 27.049 -0.536 -7.848 506 H LYS 77 H LYS 77 25.842 3.790 -6.210 507 HA LYS 77 HA LYS 77 25.282 5.161 -4.403 508 1HB LYS 77 2HB LYS 77 22.548 4.643 -5.307 509 2HB LYS 77 1HB LYS 77 22.961 5.870 -4.141 510 1HG LYS 77 2HG LYS 77 24.430 6.968 -5.848 511 2HG LYS 77 1HG LYS 77 23.947 5.762 -7.030 512 1HD LYS 77 2HD LYS 77 21.569 6.487 -6.788 513 2HD LYS 77 1HD LYS 77 22.053 7.688 -5.605 514 1HE LYS 77 2HE LYS 77 21.798 8.717 -7.845 515 2HE LYS 77 1HE LYS 77 23.475 8.808 -7.324 516 1HZ LYS 77 1HZ LYS 77 22.495 6.571 -8.978 517 2HZ LYS 77 2HZ LYS 77 24.091 7.106 -8.748 518 3HZ LYS 77 3HZ LYS 77 23.007 8.035 -9.670 519 H ALA 78 H ALA 78 25.053 2.049 -4.456 520 HA ALA 78 HA ALA 78 23.480 1.557 -1.999 521 1HB ALA 78 1HB ALA 78 23.278 -0.026 -3.903 522 2HB ALA 78 2HB ALA 78 23.963 -0.831 -2.499 523 3HB ALA 78 3HB ALA 78 25.005 -0.344 -3.829 524 H CYS 79 H CYS 79 24.389 0.919 -0.088 525 HA CYS 79 HA CYS 79 27.144 1.715 0.360 526 1HB CYS 79 2HB CYS 79 25.073 0.556 2.161 527 2HB CYS 79 1HB CYS 79 26.676 0.938 2.713 528 H LYS 80 H LYS 80 28.843 0.602 0.891 529 HA LYS 80 HA LYS 80 28.806 -2.261 1.455 530 1HB LYS 80 2HB LYS 80 30.314 -2.825 -0.168 531 2HB LYS 80 1HB LYS 80 28.759 -2.455 -0.922 532 1HG LYS 80 2HG LYS 80 29.680 -0.103 -1.440 533 2HG LYS 80 1HG LYS 80 31.259 -0.648 -0.917 534 1HD LYS 80 2HD LYS 80 29.684 -1.833 -3.232 535 2HD LYS 80 1HD LYS 80 31.043 -0.738 -3.381 536 1HE LYS 80 2HE LYS 80 32.520 -2.406 -2.263 537 2HE LYS 80 1HE LYS 80 31.165 -3.519 -2.134 538 1HZ LYS 80 1HZ LYS 80 31.871 -2.403 -4.749 539 2HZ LYS 80 2HZ LYS 80 31.111 -3.874 -4.372 540 3HZ LYS 80 3HZ LYS 80 32.779 -3.688 -4.108 541 H ALA 81 H ALA 81 31.012 -2.988 2.077 542 HA ALA 81 HA ALA 81 32.497 -1.313 3.726 543 1HB ALA 81 1HB ALA 81 34.327 -2.982 3.523 544 2HB ALA 81 2HB ALA 81 33.545 -3.661 2.105 545 3HB ALA 81 3HB ALA 81 32.766 -3.769 3.674 546 H VAL 82 H VAL 82 33.684 0.427 3.422 547 HA VAL 82 HA VAL 82 34.267 1.676 1.043 548 HB VAL 82 HB VAL 82 34.473 2.741 3.261 549 1HG1 VAL 82 1HG1 VAL 82 37.043 1.106 3.562 550 2HG1 VAL 82 2HG1 VAL 82 35.578 0.842 4.479 551 3HG1 VAL 82 3HG1 VAL 82 36.478 2.331 4.686 552 1HG2 VAL 82 1HG2 VAL 82 36.517 4.081 2.866 553 2HG2 VAL 82 2HG2 VAL 82 35.617 3.842 1.379 554 3HG2 VAL 82 3HG2 VAL 82 37.072 2.909 1.684 Start of MODEL 5 1 H GLY 1 H GLY 1 -23.013 -4.281 -2.700 2 1HA GLY 1 2HA GLY 1 -25.802 -4.400 -3.564 3 2HA GLY 1 1HA GLY 1 -25.569 -4.831 -1.868 4 H THR 2 H THR 2 -25.731 -3.171 -0.497 5 HA THR 2 HA THR 2 -26.113 -0.515 -1.219 6 HB THR 2 HB THR 2 -26.912 -1.360 0.913 7 HG1 THR 2 1HG THR 2 -26.296 0.865 0.631 8 1HG2 THR 2 1HG2 THR 2 -24.875 -2.809 1.452 9 2HG2 THR 2 2HG2 THR 2 -25.304 -1.732 2.775 10 3HG2 THR 2 3HG2 THR 2 -23.953 -1.334 1.718 11 H ASN 3 H ASN 3 -24.912 1.300 -0.422 12 HA ASN 3 HA ASN 3 -22.051 1.171 -1.226 13 1HB ASN 3 2HB ASN 3 -23.649 2.821 -2.281 14 2HB ASN 3 1HB ASN 3 -23.883 3.564 -0.713 15 1HD2 ASN 3 1HD2 ASN 3 -20.666 2.750 -0.588 16 2HD2 ASN 3 2HD2 ASN 3 -20.007 4.159 -1.266 17 H GLU 4 H GLU 4 -21.769 -0.042 0.767 18 HA GLU 4 HA GLU 4 -22.088 1.046 3.378 19 1HB GLU 4 2HB GLU 4 -20.801 -0.840 4.085 20 2HB GLU 4 1HB GLU 4 -21.798 -1.383 2.769 21 1HG GLU 4 2HG GLU 4 -18.826 -0.698 2.575 22 2HG GLU 4 1HG GLU 4 -19.513 -2.295 2.503 23 H CYS 5 H CYS 5 -19.953 1.980 0.968 24 HA CYS 5 HA CYS 5 -17.619 2.471 2.457 25 1HB CYS 5 2HB CYS 5 -18.659 3.822 -0.012 26 2HB CYS 5 1HB CYS 5 -17.057 3.986 0.605 27 H LEU 6 H LEU 6 -20.415 4.312 1.712 28 HA LEU 6 HA LEU 6 -19.901 6.923 2.291 29 1HB LEU 6 2HB LEU 6 -22.324 5.317 3.166 30 2HB LEU 6 1HB LEU 6 -22.276 7.057 2.977 31 HG LEU 6 HG LEU 6 -21.774 5.044 0.733 32 1HD1 LEU 6 1HD1 LEU 6 -24.161 6.854 1.300 33 2HD1 LEU 6 2HD1 LEU 6 -24.140 5.105 1.474 34 3HD1 LEU 6 3HD1 LEU 6 -23.975 5.831 -0.117 35 1HD2 LEU 6 1HD2 LEU 6 -22.074 8.092 0.621 36 2HD2 LEU 6 2HD2 LEU 6 -21.890 7.038 -0.769 37 3HD2 LEU 6 3HD2 LEU 6 -20.570 7.226 0.361 38 H ASP 7 H ASP 7 -20.918 4.575 4.698 39 HA ASP 7 HA ASP 7 -20.029 6.336 6.944 40 1HB ASP 7 2HB ASP 7 -22.315 5.098 6.955 41 2HB ASP 7 1HB ASP 7 -21.375 3.612 6.978 42 H ASN 8 H ASN 8 -19.286 4.288 8.661 43 HA ASN 8 HA ASN 8 -16.587 3.922 8.202 44 1HB ASN 8 2HB ASN 8 -18.518 2.321 9.689 45 2HB ASN 8 1HB ASN 8 -16.810 2.027 9.867 46 1HD2 ASN 8 1HD2 ASN 8 -18.682 5.143 9.731 47 2HD2 ASN 8 2HD2 ASN 8 -18.107 5.702 11.222 48 H ASN 9 H ASN 9 -15.542 2.687 6.686 49 HA ASN 9 HA ASN 9 -16.492 1.325 4.551 50 1HB ASN 9 2HB ASN 9 -14.112 1.711 4.873 51 2HB ASN 9 1HB ASN 9 -14.070 0.603 6.220 52 1HD2 ASN 9 1HD2 ASN 9 -12.243 -0.132 4.592 53 2HD2 ASN 9 2HD2 ASN 9 -12.698 -1.392 3.549 54 H GLY 10 H GLY 10 -18.426 0.241 5.090 55 1HA GLY 10 2HA GLY 10 -19.754 -1.616 5.616 56 2HA GLY 10 1HA GLY 10 -18.325 -2.534 5.172 57 H GLY 11 H GLY 11 -17.763 -0.440 7.699 58 1HA GLY 11 2HA GLY 11 -18.559 -0.993 10.105 59 2HA GLY 11 1HA GLY 11 -17.864 -2.581 9.771 60 H CYS 12 H CYS 12 -15.667 -1.698 8.233 61 HA CYS 12 HA CYS 12 -13.830 -0.794 10.338 62 1HB CYS 12 2HB CYS 12 -12.149 -1.635 8.787 63 2HB CYS 12 1HB CYS 12 -13.459 -2.785 8.917 64 H SER 13 H SER 13 -12.018 0.210 8.164 65 HA SER 13 HA SER 13 -13.237 2.525 6.935 66 1HB SER 13 2HB SER 13 -11.998 4.237 8.351 67 2HB SER 13 1HB SER 13 -13.141 3.318 9.336 68 HG SER 13 HG SER 13 -11.388 1.856 9.773 69 H HIS 14 H HIS 14 -11.808 0.400 5.989 70 HA HIS 14 HA HIS 14 -9.151 1.486 5.241 71 1HB HIS 14 2HB HIS 14 -10.236 -1.361 5.309 72 2HB HIS 14 1HB HIS 14 -8.602 -0.888 4.907 73 HD1 HIS 14 1HD HIS 14 -10.578 -1.770 7.695 74 HD2 HIS 14 2HD HIS 14 -7.264 0.550 7.197 75 HE1 HIS 14 1HE HIS 14 -9.586 -1.487 9.946 76 H VAL 15 H VAL 15 -9.994 -1.075 3.348 77 HA VAL 15 HA VAL 15 -10.783 0.667 1.058 78 HB VAL 15 HB VAL 15 -9.651 -2.147 1.114 79 1HG1 VAL 15 1HG1 VAL 15 -9.427 -1.887 -1.371 80 2HG1 VAL 15 2HG1 VAL 15 -10.223 -0.324 -1.280 81 3HG1 VAL 15 3HG1 VAL 15 -11.104 -1.787 -0.886 82 1HG2 VAL 15 1HG2 VAL 15 -8.358 0.474 0.313 83 2HG2 VAL 15 2HG2 VAL 15 -7.617 -1.116 0.169 84 3HG2 VAL 15 3HG2 VAL 15 -7.993 -0.463 1.758 85 H CYS 16 H CYS 16 -12.965 0.746 0.961 86 HA CYS 16 HA CYS 16 -14.626 -1.538 1.694 87 1HB CYS 16 2HB CYS 16 -16.439 -0.008 1.104 88 2HB CYS 16 1HB CYS 16 -15.286 0.851 2.079 89 H ASN 17 H ASN 17 -13.747 -3.105 0.374 90 HA ASN 17 HA ASN 17 -14.030 -2.763 -2.552 91 1HB ASN 17 2HB ASN 17 -11.966 -3.599 -1.862 92 2HB ASN 17 1HB ASN 17 -12.597 -4.679 -0.671 93 1HD2 ASN 17 1HD2 ASN 17 -12.586 -6.790 -1.405 94 2HD2 ASN 17 2HD2 ASN 17 -12.637 -7.289 -3.020 95 H ASP 18 H ASP 18 -16.021 -2.595 -2.573 96 HA ASP 18 HA ASP 18 -18.178 -3.894 -1.459 97 1HB ASP 18 2HB ASP 18 -18.376 -1.852 -2.766 98 2HB ASP 18 1HB ASP 18 -17.964 -2.704 -4.242 99 H LEU 19 H LEU 19 -17.849 -6.025 -1.248 100 HA LEU 19 HA LEU 19 -17.604 -7.915 -3.348 101 1HB LEU 19 2HB LEU 19 -17.081 -8.026 -0.761 102 2HB LEU 19 1HB LEU 19 -18.793 -8.240 -0.579 103 HG LEU 19 HG LEU 19 -18.770 -10.312 -1.914 104 1HD1 LEU 19 1HD1 LEU 19 -16.547 -11.245 -2.513 105 2HD1 LEU 19 2HD1 LEU 19 -15.774 -9.804 -1.855 106 3HD1 LEU 19 3HD1 LEU 19 -16.762 -9.694 -3.301 107 1HD2 LEU 19 1HD2 LEU 19 -18.523 -10.313 0.530 108 2HD2 LEU 19 2HD2 LEU 19 -16.781 -10.190 0.384 109 3HD2 LEU 19 3HD2 LEU 19 -17.618 -11.638 -0.166 110 H LYS 20 H LYS 20 -19.495 -9.645 -3.498 111 HA LYS 20 HA LYS 20 -21.856 -8.208 -4.386 112 1HB LYS 20 2HB LYS 20 -22.695 -10.483 -4.942 113 2HB LYS 20 1HB LYS 20 -21.051 -10.268 -5.510 114 1HG LYS 20 2HG LYS 20 -20.207 -11.511 -3.492 115 2HG LYS 20 1HG LYS 20 -21.870 -11.779 -2.989 116 1HD LYS 20 2HD LYS 20 -22.352 -12.983 -5.089 117 2HD LYS 20 1HD LYS 20 -20.700 -12.725 -5.628 118 1HE LYS 20 2HE LYS 20 -19.861 -13.999 -3.652 119 2HE LYS 20 1HE LYS 20 -21.519 -14.264 -3.125 120 1HZ LYS 20 1HZ LYS 20 -21.969 -15.507 -5.078 121 2HZ LYS 20 2HZ LYS 20 -20.549 -16.124 -4.380 122 3HZ LYS 20 3HZ LYS 20 -20.458 -15.124 -5.750 123 H ILE 21 H ILE 21 -21.017 -10.364 -1.710 124 HA ILE 21 HA ILE 21 -23.040 -9.181 0.049 125 HB ILE 21 HB ILE 21 -22.756 -12.149 -0.581 126 1HG1 ILE 21 2HG1 ILE 21 -25.130 -10.272 -1.040 127 2HG1 ILE 21 1HG1 ILE 21 -24.104 -10.941 -2.294 128 1HG2 ILE 21 1HG2 ILE 21 -23.128 -11.738 1.827 129 2HG2 ILE 21 2HG2 ILE 21 -24.567 -12.452 1.132 130 3HG2 ILE 21 3HG2 ILE 21 -24.515 -10.721 1.456 131 1HD1 ILE 21 1HD1 ILE 21 -24.818 -13.227 -1.726 132 2HD1 ILE 21 2HD1 ILE 21 -26.185 -12.211 -2.155 133 3HD1 ILE 21 3HD1 ILE 21 -25.884 -12.602 -0.476 134 H GLY 22 H GLY 22 -21.769 -8.564 1.749 135 1HA GLY 22 2HA GLY 22 -20.501 -8.970 3.680 136 2HA GLY 22 1HA GLY 22 -19.908 -10.429 2.931 137 H TYR 23 H TYR 23 -19.978 -7.129 1.976 138 HA TYR 23 HA TYR 23 -17.809 -6.577 0.485 139 1HB TYR 23 2HB TYR 23 -18.399 -4.749 2.790 140 2HB TYR 23 1HB TYR 23 -17.879 -4.334 1.170 141 HD1 TYR 23 1HD TYR 23 -19.574 -5.555 -0.724 142 HD2 TYR 23 2HD TYR 23 -20.622 -4.215 3.160 143 HE1 TYR 23 1HE TYR 23 -21.905 -5.356 -1.427 144 HE2 TYR 23 2HE TYR 23 -22.966 -4.008 2.461 145 HH TYR 23 HH TYR 23 -23.920 -3.954 -0.677 146 H GLU 24 H GLU 24 -15.708 -5.828 0.698 147 HA GLU 24 HA GLU 24 -14.269 -6.938 3.025 148 1HB GLU 24 2HB GLU 24 -13.312 -6.235 0.277 149 2HB GLU 24 1HB GLU 24 -12.382 -7.013 1.526 150 1HG GLU 24 2HG GLU 24 -14.106 -8.851 1.578 151 2HG GLU 24 1HG GLU 24 -14.903 -8.047 0.228 152 H CYS 25 H CYS 25 -12.396 -6.067 3.691 153 HA CYS 25 HA CYS 25 -12.072 -3.200 3.711 154 1HB CYS 25 2HB CYS 25 -11.902 -5.253 5.936 155 2HB CYS 25 1HB CYS 25 -11.333 -3.625 6.116 156 H LEU 26 H LEU 26 -10.639 -3.885 1.870 157 HA LEU 26 HA LEU 26 -8.317 -5.525 2.423 158 1HB LEU 26 2HB LEU 26 -8.502 -3.534 0.135 159 2HB LEU 26 1HB LEU 26 -7.670 -5.042 0.233 160 HG LEU 26 HG LEU 26 -10.676 -4.862 0.153 161 1HD1 LEU 26 1HD1 LEU 26 -9.697 -4.273 -2.026 162 2HD1 LEU 26 2HD1 LEU 26 -10.436 -5.855 -2.121 163 3HD1 LEU 26 3HD1 LEU 26 -8.702 -5.722 -2.002 164 1HD2 LEU 26 1HD2 LEU 26 -8.880 -7.309 0.073 165 2HD2 LEU 26 2HD2 LEU 26 -10.624 -7.295 -0.145 166 3HD2 LEU 26 3HD2 LEU 26 -9.934 -6.850 1.405 167 H CYS 27 H CYS 27 -6.209 -4.255 1.496 168 HA CYS 27 HA CYS 27 -5.638 -2.226 3.546 169 1HB CYS 27 2HB CYS 27 -3.867 -3.847 1.740 170 2HB CYS 27 1HB CYS 27 -3.314 -2.745 2.971 171 HA PRO 28 HA PRO 28 -6.085 1.068 0.487 172 1HB PRO 28 2HB PRO 28 -4.151 2.367 2.398 173 2HB PRO 28 1HB PRO 28 -5.617 3.010 1.704 174 1HG PRO 28 2HG PRO 28 -5.640 2.174 4.194 175 2HG PRO 28 1HG PRO 28 -7.011 1.805 3.130 176 1HD PRO 28 2HD PRO 28 -4.796 0.022 4.048 177 2HD PRO 28 1HD PRO 28 -6.519 -0.332 3.790 178 H ASP 29 H ASP 29 -2.916 0.742 1.973 179 HA ASP 29 HA ASP 29 -1.501 1.383 -0.484 180 1HB ASP 29 2HB ASP 29 0.496 1.053 0.976 181 2HB ASP 29 1HB ASP 29 -0.662 2.151 1.681 182 H GLY 30 H GLY 30 0.516 -0.104 -0.772 183 1HA GLY 30 2HA GLY 30 -0.276 -2.392 -2.130 184 2HA GLY 30 1HA GLY 30 1.369 -2.009 -1.711 185 H PHE 31 H PHE 31 -0.028 -2.364 1.275 186 HA PHE 31 HA PHE 31 1.239 -4.872 1.703 187 1HB PHE 31 2HB PHE 31 -0.759 -3.309 3.306 188 2HB PHE 31 1HB PHE 31 -0.042 -4.763 3.924 189 HD1 PHE 31 1HD PHE 31 0.654 -3.079 5.731 190 HD2 PHE 31 2HD PHE 31 2.292 -3.033 1.796 191 HE1 PHE 31 1HE PHE 31 2.561 -1.713 6.511 192 HE2 PHE 31 2HE PHE 31 4.145 -1.681 2.562 193 HZ PHE 31 HZ PHE 31 4.312 -1.034 4.894 194 H GLN 32 H GLN 32 0.354 -6.633 2.786 195 HA GLN 32 HA GLN 32 -1.910 -7.770 1.236 196 1HB GLN 32 2HB GLN 32 0.243 -8.984 2.960 197 2HB GLN 32 1HB GLN 32 -0.974 -9.912 2.126 198 1HG GLN 32 2HG GLN 32 -0.089 -8.992 -0.054 199 2HG GLN 32 1HG GLN 32 1.128 -8.092 0.846 200 1HE2 GLN 32 1HE2 GLN 32 0.482 -11.082 -0.648 201 2HE2 GLN 32 2HE2 GLN 32 1.776 -11.962 0.009 202 H LEU 33 H LEU 33 -3.803 -8.202 2.196 203 HA LEU 33 HA LEU 33 -4.182 -7.387 4.989 204 1HB LEU 33 2HB LEU 33 -5.928 -7.034 3.093 205 2HB LEU 33 1HB LEU 33 -6.235 -8.756 3.177 206 HG LEU 33 HG LEU 33 -6.614 -8.397 5.728 207 1HD1 LEU 33 1HD1 LEU 33 -7.255 -6.112 6.370 208 2HD1 LEU 33 2HD1 LEU 33 -6.775 -5.513 4.801 209 3HD1 LEU 33 3HD1 LEU 33 -5.569 -6.161 5.900 210 1HD2 LEU 33 1HD2 LEU 33 -8.495 -8.824 4.249 211 2HD2 LEU 33 2HD2 LEU 33 -8.594 -7.110 3.853 212 3HD2 LEU 33 3HD2 LEU 33 -8.908 -7.656 5.495 213 H VAL 34 H VAL 34 -4.118 -8.758 6.688 214 HA VAL 34 HA VAL 34 -4.184 -11.672 6.191 215 HB VAL 34 HB VAL 34 -2.620 -11.662 8.254 216 1HG1 VAL 34 1HG1 VAL 34 -0.656 -11.272 6.731 217 2HG1 VAL 34 2HG1 VAL 34 -1.699 -10.448 5.583 218 3HG1 VAL 34 3HG1 VAL 34 -1.897 -12.168 5.876 219 1HG2 VAL 34 1HG2 VAL 34 -2.884 -9.229 8.828 220 2HG2 VAL 34 2HG2 VAL 34 -2.215 -8.817 7.265 221 3HG2 VAL 34 3HG2 VAL 34 -1.225 -9.645 8.453 222 H ALA 35 H ALA 35 -4.048 -10.304 9.411 223 HA ALA 35 HA ALA 35 -6.340 -11.782 10.191 224 1HB ALA 35 1HB ALA 35 -4.365 -11.694 11.610 225 2HB ALA 35 2HB ALA 35 -5.708 -10.969 12.477 226 3HB ALA 35 3HB ALA 35 -4.485 -9.949 11.738 227 H GLN 36 H GLN 36 -7.510 -10.296 8.587 228 HA GLN 36 HA GLN 36 -9.464 -9.064 8.317 229 1HB GLN 36 2HB GLN 36 -9.155 -8.155 11.225 230 2HB GLN 36 1HB GLN 36 -10.547 -7.933 10.206 231 1HG GLN 36 2HG GLN 36 -10.907 -10.354 10.025 232 2HG GLN 36 1HG GLN 36 -9.458 -10.672 10.971 233 1HE2 GLN 36 1HE2 GLN 36 -9.462 -9.408 13.184 234 2HE2 GLN 36 2HE2 GLN 36 -10.932 -9.430 14.036 235 H ARG 37 H ARG 37 -6.978 -7.232 10.114 236 HA ARG 37 HA ARG 37 -6.997 -5.174 8.034 237 1HB ARG 37 2HB ARG 37 -7.645 -3.298 9.387 238 2HB ARG 37 1HB ARG 37 -8.919 -4.482 9.445 239 1HG ARG 37 2HG ARG 37 -6.894 -3.911 11.627 240 2HG ARG 37 1HG ARG 37 -8.593 -3.514 11.642 241 1HD ARG 37 2HD ARG 37 -9.161 -5.934 11.542 242 2HD ARG 37 1HD ARG 37 -7.434 -6.300 11.636 243 HE ARG 37 HE ARG 37 -8.270 -4.540 13.776 244 1HH1 ARG 37 2HH1 ARG 37 -8.087 -7.841 12.733 245 2HH1 ARG 37 1HH1 ARG 37 -8.067 -8.468 14.346 246 1HH2 ARG 37 1HH2 ARG 37 -8.244 -5.307 15.819 247 2HH2 ARG 37 2HH2 ARG 37 -8.155 -7.010 16.123 248 H ARG 38 H ARG 38 -5.217 -7.058 9.495 249 HA ARG 38 HA ARG 38 -3.169 -5.276 10.703 250 1HB ARG 38 2HB ARG 38 -3.625 -8.260 10.578 251 2HB ARG 38 1HB ARG 38 -2.062 -7.663 11.020 252 1HG ARG 38 2HG ARG 38 -3.402 -8.311 12.968 253 2HG ARG 38 1HG ARG 38 -2.876 -6.650 13.021 254 1HD ARG 38 2HD ARG 38 -5.583 -7.377 11.990 255 2HD ARG 38 1HD ARG 38 -5.310 -7.168 13.717 256 HE ARG 38 HE ARG 38 -5.101 -5.067 11.610 257 1HH1 ARG 38 2HH1 ARG 38 -4.934 -5.942 14.973 258 2HH1 ARG 38 1HH1 ARG 38 -4.991 -4.294 15.495 259 1HH2 ARG 38 1HH2 ARG 38 -5.165 -3.005 12.267 260 2HH2 ARG 38 2HH2 ARG 38 -5.121 -2.613 13.954 261 H CYS 39 H CYS 39 -3.525 -4.734 8.102 262 HA CYS 39 HA CYS 39 -2.255 -5.966 6.035 263 1HB CYS 39 2HB CYS 39 -2.122 -3.035 6.754 264 2HB CYS 39 1HB CYS 39 -1.794 -3.684 5.165 265 H GLU 40 H GLU 40 -0.331 -6.771 5.618 266 HA GLU 40 HA GLU 40 2.020 -5.913 7.184 267 1HB GLU 40 2HB GLU 40 2.908 -8.061 6.626 268 2HB GLU 40 1HB GLU 40 1.311 -8.272 7.318 269 1HG GLU 40 2HG GLU 40 0.399 -8.310 4.949 270 2HG GLU 40 1HG GLU 40 2.030 -8.242 4.348 271 H ASP 41 H ASP 41 3.928 -5.593 6.349 272 HA ASP 41 HA ASP 41 4.118 -4.602 3.581 273 1HB ASP 41 2HB ASP 41 4.986 -3.209 5.557 274 2HB ASP 41 1HB ASP 41 6.121 -4.483 5.876 275 H ILE 42 H ILE 42 6.174 -4.961 2.532 276 HA ILE 42 HA ILE 42 7.170 -7.683 2.709 277 HB ILE 42 HB ILE 42 5.834 -7.407 0.648 278 1HG1 ILE 42 2HG1 ILE 42 7.502 -7.702 -1.171 279 2HG1 ILE 42 1HG1 ILE 42 8.771 -7.148 -0.100 280 1HG2 ILE 42 1HG2 ILE 42 5.704 -4.965 0.555 281 2HG2 ILE 42 2HG2 ILE 42 6.217 -5.603 -0.995 282 3HG2 ILE 42 3HG2 ILE 42 7.385 -4.861 0.073 283 1HD1 ILE 42 1HD1 ILE 42 8.703 -9.621 -0.188 284 2HD1 ILE 42 2HD1 ILE 42 7.030 -9.611 0.348 285 3HD1 ILE 42 3HD1 ILE 42 8.307 -9.075 1.430 286 H ASP 43 H ASP 43 9.397 -7.672 3.111 287 HA ASP 43 HA ASP 43 10.700 -4.982 3.189 288 1HB ASP 43 2HB ASP 43 10.529 -6.439 5.247 289 2HB ASP 43 1HB ASP 43 11.627 -7.568 4.475 290 H GLU 44 H GLU 44 11.936 -4.432 1.671 291 HA GLU 44 HA GLU 44 13.079 -6.251 -0.281 292 1HB GLU 44 2HB GLU 44 13.484 -3.265 -0.040 293 2HB GLU 44 1HB GLU 44 13.705 -4.276 -1.445 294 1HG GLU 44 2HG GLU 44 11.717 -3.045 -1.697 295 2HG GLU 44 1HG GLU 44 11.241 -4.717 -1.518 296 H CYS 45 H CYS 45 14.135 -4.425 2.501 297 HA CYS 45 HA CYS 45 16.868 -4.237 1.927 298 1HB CYS 45 2HB CYS 45 15.442 -4.396 4.604 299 2HB CYS 45 1HB CYS 45 17.095 -4.003 4.408 300 H GLN 46 H GLN 46 15.306 -6.280 4.185 301 HA GLN 46 HA GLN 46 17.206 -8.062 4.990 302 1HB GLN 46 2HB GLN 46 14.294 -8.628 4.324 303 2HB GLN 46 1HB GLN 46 15.300 -9.683 5.280 304 1HG GLN 46 2HG GLN 46 14.683 -6.776 5.970 305 2HG GLN 46 1HG GLN 46 13.895 -8.156 6.718 306 1HE2 GLN 46 1HE2 GLN 46 15.435 -9.693 7.912 307 2HE2 GLN 46 2HE2 GLN 46 16.794 -9.013 8.669 308 H ASP 47 H ASP 47 15.333 -8.281 2.041 309 HA ASP 47 HA ASP 47 16.543 -10.716 1.189 310 1HB ASP 47 2HB ASP 47 14.238 -10.134 0.496 311 2HB ASP 47 1HB ASP 47 14.835 -8.705 -0.334 312 HA PRO 48 HA PRO 48 20.059 -8.390 -0.434 313 1HB PRO 48 2HB PRO 48 21.558 -10.448 -1.329 314 2HB PRO 48 1HB PRO 48 21.301 -10.193 0.381 315 1HG PRO 48 2HG PRO 48 19.883 -12.100 -1.438 316 2HG PRO 48 1HG PRO 48 20.535 -12.377 0.186 317 1HD PRO 48 2HD PRO 48 17.901 -11.864 -0.312 318 2HD PRO 48 1HD PRO 48 18.709 -11.461 1.215 319 H ASP 49 H ASP 49 18.632 -7.408 -1.978 320 HA ASP 49 HA ASP 49 19.264 -8.226 -4.751 321 1HB ASP 49 2HB ASP 49 17.069 -9.198 -4.303 322 2HB ASP 49 1HB ASP 49 16.487 -7.670 -3.656 323 H THR 50 H THR 50 17.266 -5.826 -3.105 324 HA THR 50 HA THR 50 17.842 -3.700 -4.870 325 HB THR 50 HB THR 50 16.779 -2.307 -3.004 326 HG1 THR 50 1HG THR 50 15.998 -3.803 -1.299 327 1HG2 THR 50 1HG2 THR 50 15.348 -3.631 -4.660 328 2HG2 THR 50 2HG2 THR 50 14.605 -3.500 -3.081 329 3HG2 THR 50 3HG2 THR 50 15.398 -4.995 -3.554 330 H CYS 51 H CYS 51 18.817 -3.419 -1.440 331 HA CYS 51 HA CYS 51 21.035 -1.714 -2.266 332 1HB CYS 51 2HB CYS 51 20.385 -2.858 0.454 333 2HB CYS 51 1HB CYS 51 21.310 -1.431 0.094 334 H SER 52 H SER 52 23.231 -2.391 -2.486 335 HA SER 52 HA SER 52 23.731 -5.297 -2.263 336 1HB SER 52 2HB SER 52 24.557 -3.988 -4.262 337 2HB SER 52 1HB SER 52 25.557 -3.004 -3.183 338 HG SER 52 HG SER 52 26.714 -4.771 -2.626 339 H GLN 53 H GLN 53 23.407 -3.061 -0.171 340 HA GLN 53 HA GLN 53 25.305 -4.045 1.816 341 1HB GLN 53 2HB GLN 53 25.379 -1.210 2.188 342 2HB GLN 53 1HB GLN 53 26.637 -2.209 1.607 343 1HG GLN 53 2HG GLN 53 26.047 -0.193 0.176 344 2HG GLN 53 1HG GLN 53 25.782 -1.660 -0.748 345 1HE2 GLN 53 1HE2 GLN 53 24.143 -0.620 -2.090 346 2HE2 GLN 53 2HE2 GLN 53 22.618 -0.218 -1.467 347 H LEU 54 H LEU 54 24.636 -1.824 3.526 348 HA LEU 54 HA LEU 54 22.448 -2.830 4.931 349 1HB LEU 54 2HB LEU 54 24.264 -1.661 5.903 350 2HB LEU 54 1HB LEU 54 24.074 -0.281 4.854 351 HG LEU 54 HG LEU 54 21.926 -0.983 6.910 352 1HD1 LEU 54 1HD1 LEU 54 24.373 0.863 7.122 353 2HD1 LEU 54 2HD1 LEU 54 24.211 -0.664 7.975 354 3HD1 LEU 54 3HD1 LEU 54 23.122 0.668 8.347 355 1HD2 LEU 54 1HD2 LEU 54 21.510 1.462 6.605 356 2HD2 LEU 54 2HD2 LEU 54 21.489 0.750 5.011 357 3HD2 LEU 54 3HD2 LEU 54 22.923 1.570 5.559 358 H CYS 55 H CYS 55 20.480 -1.644 5.452 359 HA CYS 55 HA CYS 55 19.373 0.189 3.441 360 1HB CYS 55 2HB CYS 55 19.181 -1.961 2.297 361 2HB CYS 55 1HB CYS 55 18.441 -2.712 3.624 362 H VAL 56 H VAL 56 16.999 0.520 3.869 363 HA VAL 56 HA VAL 56 16.232 0.268 6.733 364 HB VAL 56 HB VAL 56 16.305 2.926 5.208 365 1HG1 VAL 56 1HG1 VAL 56 14.385 2.787 6.796 366 2HG1 VAL 56 2HG1 VAL 56 15.583 3.933 7.364 367 3HG1 VAL 56 3HG1 VAL 56 15.483 2.335 8.089 368 1HG2 VAL 56 1HG2 VAL 56 18.569 2.227 5.946 369 2HG2 VAL 56 2HG2 VAL 56 17.974 1.996 7.582 370 3HG2 VAL 56 3HG2 VAL 56 18.012 3.604 6.876 371 H ASN 57 H ASN 57 14.528 -0.960 6.383 372 HA ASN 57 HA ASN 57 12.595 -0.465 4.239 373 1HB ASN 57 2HB ASN 57 13.303 -2.772 4.869 374 2HB ASN 57 1HB ASN 57 12.606 -2.521 6.461 375 1HD2 ASN 57 1HD2 ASN 57 10.825 -3.881 6.480 376 2HD2 ASN 57 2HD2 ASN 57 9.596 -3.874 5.311 377 H LEU 58 H LEU 58 10.388 -0.476 4.606 378 HA LEU 58 HA LEU 58 8.870 0.140 6.925 379 1HB LEU 58 2HB LEU 58 8.376 2.524 6.661 380 2HB LEU 58 1HB LEU 58 10.073 2.337 6.936 381 HG LEU 58 HG LEU 58 8.953 2.703 4.129 382 1HD1 LEU 58 1HD1 LEU 58 10.099 4.789 6.068 383 2HD1 LEU 58 2HD1 LEU 58 8.410 4.687 5.592 384 3HD1 LEU 58 3HD1 LEU 58 9.632 5.090 4.400 385 1HD2 LEU 58 1HD2 LEU 58 11.280 3.400 3.707 386 2HD2 LEU 58 2HD2 LEU 58 11.229 1.764 4.320 387 3HD2 LEU 58 3HD2 LEU 58 11.693 3.088 5.380 388 H GLU 59 H GLU 59 7.055 1.858 5.652 389 HA GLU 59 HA GLU 59 5.689 -0.110 4.031 390 1HB GLU 59 2HB GLU 59 4.392 1.446 5.558 391 2HB GLU 59 1HB GLU 59 4.927 2.817 4.605 392 1HG GLU 59 2HG GLU 59 3.621 2.027 2.643 393 2HG GLU 59 1HG GLU 59 3.195 0.551 3.459 394 H GLY 60 H GLY 60 6.895 -0.582 2.542 395 1HA GLY 60 2HA GLY 60 7.614 -0.724 0.403 396 2HA GLY 60 1HA GLY 60 6.260 0.327 0.037 397 H GLY 61 H GLY 61 7.911 2.118 2.079 398 1HA GLY 61 2HA GLY 61 9.217 3.745 0.012 399 2HA GLY 61 1HA GLY 61 8.957 4.192 1.692 400 H TYR 62 H TYR 62 10.358 1.214 1.404 401 HA TYR 62 HA TYR 62 12.657 1.627 2.852 402 1HB TYR 62 2HB TYR 62 13.587 -0.417 1.921 403 2HB TYR 62 1HB TYR 62 11.841 -0.599 2.011 404 HD1 TYR 62 1HD TYR 62 10.475 -0.099 -0.156 405 HD2 TYR 62 2HD TYR 62 14.703 -0.587 -0.139 406 HE1 TYR 62 1HE TYR 62 10.449 -0.474 -2.576 407 HE2 TYR 62 2HE TYR 62 14.680 -0.964 -2.547 408 HH TYR 62 HH TYR 62 12.370 -1.897 -4.232 409 H LYS 63 H LYS 63 14.788 2.077 2.556 410 HA LYS 63 HA LYS 63 15.712 2.978 -0.115 411 1HB LYS 63 2HB LYS 63 14.788 4.941 0.949 412 2HB LYS 63 1HB LYS 63 15.811 4.726 2.370 413 1HG LYS 63 2HG LYS 63 17.812 5.115 0.924 414 2HG LYS 63 1HG LYS 63 16.771 5.324 -0.470 415 1HD LYS 63 2HD LYS 63 16.820 7.059 2.044 416 2HD LYS 63 1HD LYS 63 17.511 7.493 0.494 417 1HE LYS 63 2HE LYS 63 15.233 7.426 -0.542 418 2HE LYS 63 1HE LYS 63 14.539 7.030 1.025 419 1HZ LYS 63 1HZ LYS 63 14.371 9.361 0.587 420 2HZ LYS 63 2HZ LYS 63 16.053 9.485 0.385 421 3HZ LYS 63 3HZ LYS 63 15.408 9.086 1.905 422 H CYS 64 H CYS 64 17.829 3.333 -0.227 423 HA CYS 64 HA CYS 64 19.483 1.538 1.459 424 1HB CYS 64 2HB CYS 64 20.008 2.646 -1.278 425 2HB CYS 64 1HB CYS 64 20.973 1.496 -0.430 426 H GLN 65 H GLN 65 21.586 1.977 1.802 427 HA GLN 65 HA GLN 65 22.771 4.687 1.765 428 1HB GLN 65 2HB GLN 65 22.553 3.142 4.381 429 2HB GLN 65 1HB GLN 65 23.207 4.735 4.152 430 1HG GLN 65 2HG GLN 65 20.992 5.668 3.601 431 2HG GLN 65 1HG GLN 65 20.256 4.082 3.813 432 1HE2 GLN 65 1HE2 GLN 65 20.528 3.070 6.020 433 2HE2 GLN 65 2HE2 GLN 65 20.582 4.096 7.372 434 H CYS 66 H CYS 66 24.958 4.005 3.321 435 HA CYS 66 HA CYS 66 26.008 1.652 1.824 436 1HB CYS 66 2HB CYS 66 27.645 3.770 3.164 437 2HB CYS 66 1HB CYS 66 28.084 2.576 2.079 438 H GLU 67 H GLU 67 27.216 0.222 2.783 439 HA GLU 67 HA GLU 67 26.674 -0.418 5.607 440 1HB GLU 67 2HB GLU 67 26.425 -2.112 3.834 441 2HB GLU 67 1HB GLU 67 28.108 -1.942 3.386 442 1HG GLU 67 2HG GLU 67 28.736 -2.840 5.665 443 2HG GLU 67 1HG GLU 67 27.025 -3.001 6.035 444 H GLU 68 H GLU 68 27.927 1.540 6.127 445 HA GLU 68 HA GLU 68 29.769 2.613 7.040 446 1HB GLU 68 2HB GLU 68 30.684 -0.278 7.421 447 2HB GLU 68 1HB GLU 68 31.393 1.106 8.223 448 1HG GLU 68 2HG GLU 68 29.188 1.623 9.273 449 2HG GLU 68 1HG GLU 68 28.462 0.257 8.442 450 H GLY 69 H GLY 69 31.649 -0.066 5.786 451 1HA GLY 69 2HA GLY 69 33.736 1.513 4.762 452 2HA GLY 69 1HA GLY 69 33.504 -0.192 4.427 453 H PHE 70 H PHE 70 30.711 0.756 3.411 454 HA PHE 70 HA PHE 70 31.490 0.885 0.679 455 1HB PHE 70 2HB PHE 70 28.860 0.822 2.127 456 2HB PHE 70 1HB PHE 70 28.914 0.958 0.383 457 HD1 PHE 70 1HD PHE 70 27.912 -1.053 -0.192 458 HD2 PHE 70 2HD PHE 70 31.155 -1.206 2.530 459 HE1 PHE 70 1HE PHE 70 27.946 -3.499 -0.363 460 HE2 PHE 70 2HE PHE 70 31.191 -3.641 2.376 461 HZ PHE 70 HZ PHE 70 29.586 -4.805 0.921 462 H GLN 71 H GLN 71 30.648 2.508 -0.825 463 HA GLN 71 HA GLN 71 30.166 5.151 0.327 464 1HB GLN 71 2HB GLN 71 32.293 4.225 -1.567 465 2HB GLN 71 1HB GLN 71 31.651 5.806 -1.828 466 1HG GLN 71 2HG GLN 71 32.814 4.823 0.831 467 2HG GLN 71 1HG GLN 71 33.663 5.863 -0.310 468 1HE2 GLN 71 1HE2 GLN 71 33.128 6.808 2.294 469 2HE2 GLN 71 2HE2 GLN 71 31.966 8.043 2.221 470 H LEU 72 H LEU 72 29.718 6.691 -1.357 471 HA LEU 72 HA LEU 72 27.311 5.733 -2.748 472 1HB LEU 72 2HB LEU 72 27.332 7.912 -1.563 473 2HB LEU 72 1HB LEU 72 28.530 8.513 -2.691 474 HG LEU 72 HG LEU 72 26.896 8.018 -4.579 475 1HD1 LEU 72 1HD1 LEU 72 25.477 6.330 -3.472 476 2HD1 LEU 72 2HD1 LEU 72 24.516 7.686 -4.021 477 3HD1 LEU 72 3HD1 LEU 72 24.923 7.536 -2.322 478 1HD2 LEU 72 1HD2 LEU 72 25.448 9.992 -4.098 479 2HD2 LEU 72 2HD2 LEU 72 27.112 10.307 -3.626 480 3HD2 LEU 72 3HD2 LEU 72 25.911 9.917 -2.402 481 H ASP 73 H ASP 73 27.779 4.565 -4.471 482 HA ASP 73 HA ASP 73 29.879 5.187 -6.379 483 1HB ASP 73 2HB ASP 73 29.075 2.845 -6.083 484 2HB ASP 73 1HB ASP 73 27.494 3.296 -6.695 485 HA PRO 74 HA PRO 74 27.334 8.213 -8.540 486 1HB PRO 74 2HB PRO 74 29.042 8.865 -10.524 487 2HB PRO 74 1HB PRO 74 29.355 9.337 -8.872 488 1HG PRO 74 2HG PRO 74 30.471 6.992 -10.366 489 2HG PRO 74 1HG PRO 74 31.317 8.176 -9.353 490 1HD PRO 74 2HD PRO 74 30.606 5.738 -8.449 491 2HD PRO 74 1HD PRO 74 30.671 7.159 -7.393 492 H HIS 75 H HIS 75 26.531 8.567 -10.748 493 HA HIS 75 HA HIS 75 25.384 7.900 -12.653 494 1HB HIS 75 2HB HIS 75 27.389 5.587 -12.725 495 2HB HIS 75 1HB HIS 75 26.376 6.129 -14.051 496 HD1 HIS 75 1HD HIS 75 29.228 7.345 -11.989 497 HD2 HIS 75 2HD HIS 75 27.350 8.340 -15.475 498 HE1 HIS 75 1HE HIS 75 30.619 9.084 -13.054 499 H THR 76 H THR 76 25.350 6.283 -9.893 500 HA THR 76 HA THR 76 23.030 4.580 -10.622 501 HB THR 76 HB THR 76 23.927 2.804 -9.045 502 HG1 THR 76 1HG THR 76 26.224 4.441 -9.163 503 1HG2 THR 76 1HG2 THR 76 26.024 3.563 -11.180 504 2HG2 THR 76 2HG2 THR 76 24.579 2.639 -11.557 505 3HG2 THR 76 3HG2 THR 76 25.797 1.968 -10.486 506 H LYS 77 H LYS 77 24.936 6.129 -8.264 507 HA LYS 77 HA LYS 77 24.486 7.291 -6.283 508 1HB LYS 77 2HB LYS 77 21.695 6.935 -7.097 509 2HB LYS 77 1HB LYS 77 22.203 8.020 -5.832 510 1HG LYS 77 2HG LYS 77 23.609 9.266 -7.498 511 2HG LYS 77 1HG LYS 77 23.025 8.208 -8.772 512 1HD LYS 77 2HD LYS 77 20.687 8.962 -8.324 513 2HD LYS 77 1HD LYS 77 21.274 10.022 -7.055 514 1HE LYS 77 2HE LYS 77 20.946 11.280 -9.172 515 2HE LYS 77 1HE LYS 77 22.646 11.267 -8.726 516 1HZ LYS 77 1HZ LYS 77 21.635 9.139 -10.463 517 2HZ LYS 77 2HZ LYS 77 23.176 9.847 -10.400 518 3HZ LYS 77 3HZ LYS 77 21.887 10.682 -11.126 519 H ALA 78 H ALA 78 24.288 4.277 -6.777 520 HA ALA 78 HA ALA 78 22.887 3.328 -4.330 521 1HB ALA 78 1HB ALA 78 22.464 2.147 -6.491 522 2HB ALA 78 2HB ALA 78 23.256 1.087 -5.333 523 3HB ALA 78 3HB ALA 78 24.183 1.817 -6.637 524 H CYS 79 H CYS 79 24.064 2.084 -2.800 525 HA CYS 79 HA CYS 79 26.918 2.837 -2.667 526 1HB CYS 79 2HB CYS 79 25.091 1.651 -0.624 527 2HB CYS 79 1HB CYS 79 26.779 1.925 -0.338 528 H LYS 80 H LYS 80 28.540 1.494 -2.186 529 HA LYS 80 HA LYS 80 28.233 -1.413 -2.066 530 1HB LYS 80 2HB LYS 80 29.696 -1.903 -3.710 531 2HB LYS 80 1HB LYS 80 28.251 -1.220 -4.474 532 1HG LYS 80 2HG LYS 80 29.521 1.009 -4.654 533 2HG LYS 80 1HG LYS 80 30.964 0.191 -4.085 534 1HD LYS 80 2HD LYS 80 30.813 -1.388 -6.030 535 2HD LYS 80 1HD LYS 80 29.435 -0.476 -6.625 536 1HE LYS 80 2HE LYS 80 31.497 0.317 -7.741 537 2HE LYS 80 1HE LYS 80 30.852 1.578 -6.700 538 1HZ LYS 80 1HZ LYS 80 33.343 0.985 -6.617 539 2HZ LYS 80 2HZ LYS 80 32.827 -0.273 -5.599 540 3HZ LYS 80 3HZ LYS 80 32.499 1.340 -5.187 541 H ALA 81 H ALA 81 30.558 -2.360 -1.783 542 HA ALA 81 HA ALA 81 32.093 -1.077 0.174 543 1HB ALA 81 1HB ALA 81 33.891 -2.680 -0.423 544 2HB ALA 81 2HB ALA 81 33.066 -3.042 -1.932 545 3HB ALA 81 3HB ALA 81 32.321 -3.469 -0.400 546 H VAL 82 H VAL 82 33.437 0.635 0.192 547 HA VAL 82 HA VAL 82 33.858 2.358 -1.917 548 HB VAL 82 HB VAL 82 34.274 2.913 0.455 549 1HG1 VAL 82 1HG1 VAL 82 36.370 2.185 1.579 550 2HG1 VAL 82 2HG1 VAL 82 36.808 1.223 0.179 551 3HG1 VAL 82 3HG1 VAL 82 35.416 0.782 1.138 552 1HG2 VAL 82 1HG2 VAL 82 36.736 3.378 -1.275 553 2HG2 VAL 82 2HG2 VAL 82 36.319 4.278 0.171 554 3HG2 VAL 82 3HG2 VAL 82 35.292 4.374 -1.248 Start of MODEL 6 1 H GLY 1 H GLY 1 -26.370 -5.813 4.182 2 1HA GLY 1 2HA GLY 1 -24.325 -5.541 2.531 3 2HA GLY 1 1HA GLY 1 -25.568 -4.841 1.498 4 H THR 2 H THR 2 -27.034 -3.350 3.005 5 HA THR 2 HA THR 2 -27.211 -1.148 3.642 6 HB THR 2 HB THR 2 -27.338 -2.536 5.643 7 HG1 THR 2 1HG THR 2 -27.249 -0.068 5.517 8 1HG2 THR 2 1HG2 THR 2 -24.455 -1.618 6.103 9 2HG2 THR 2 2HG2 THR 2 -24.919 -3.283 5.782 10 3HG2 THR 2 3HG2 THR 2 -25.449 -2.501 7.258 11 H ASN 3 H ASN 3 -25.886 0.659 5.000 12 HA ASN 3 HA ASN 3 -23.448 1.237 3.386 13 1HB ASN 3 2HB ASN 3 -25.515 2.682 3.155 14 2HB ASN 3 1HB ASN 3 -25.325 3.147 4.832 15 1HD2 ASN 3 1HD2 ASN 3 -25.223 5.274 3.275 16 2HD2 ASN 3 2HD2 ASN 3 -23.642 5.823 2.995 17 H GLU 4 H GLU 4 -22.564 -0.298 5.049 18 HA GLU 4 HA GLU 4 -22.233 0.522 7.789 19 1HB GLU 4 2HB GLU 4 -20.798 -1.391 7.948 20 2HB GLU 4 1HB GLU 4 -22.057 -1.854 6.838 21 1HG GLU 4 2HG GLU 4 -19.214 -1.006 6.107 22 2HG GLU 4 1HG GLU 4 -19.889 -2.599 5.935 23 H CYS 5 H CYS 5 -21.036 1.768 4.985 24 HA CYS 5 HA CYS 5 -18.328 2.268 5.584 25 1HB CYS 5 2HB CYS 5 -19.730 2.398 3.368 26 2HB CYS 5 1HB CYS 5 -20.030 4.039 3.851 27 H LEU 6 H LEU 6 -21.302 3.733 6.266 28 HA LEU 6 HA LEU 6 -20.754 6.330 7.017 29 1HB LEU 6 2HB LEU 6 -22.687 4.349 8.233 30 2HB LEU 6 1HB LEU 6 -22.757 6.071 8.489 31 HG LEU 6 HG LEU 6 -22.956 4.664 5.782 32 1HD1 LEU 6 1HD1 LEU 6 -24.945 4.285 7.221 33 2HD1 LEU 6 2HD1 LEU 6 -25.359 5.342 5.880 34 3HD1 LEU 6 3HD1 LEU 6 -25.101 6.016 7.484 35 1HD2 LEU 6 1HD2 LEU 6 -22.053 7.002 5.570 36 2HD2 LEU 6 2HD2 LEU 6 -23.416 7.607 6.496 37 3HD2 LEU 6 3HD2 LEU 6 -23.668 6.901 4.910 38 H ASP 7 H ASP 7 -20.434 3.403 8.863 39 HA ASP 7 HA ASP 7 -19.330 4.823 11.261 40 1HB ASP 7 2HB ASP 7 -21.137 2.975 11.441 41 2HB ASP 7 1HB ASP 7 -19.937 1.879 10.776 42 H ASN 8 H ASN 8 -17.607 2.730 11.959 43 HA ASN 8 HA ASN 8 -15.248 3.423 10.696 44 1HB ASN 8 2HB ASN 8 -16.056 0.962 12.056 45 2HB ASN 8 1HB ASN 8 -14.370 1.285 11.715 46 1HD2 ASN 8 1HD2 ASN 8 -17.129 2.215 13.729 47 2HD2 ASN 8 2HD2 ASN 8 -16.259 3.224 14.778 48 H ASN 9 H ASN 9 -14.616 2.977 8.563 49 HA ASN 9 HA ASN 9 -16.133 1.714 6.665 50 1HB ASN 9 2HB ASN 9 -13.135 2.127 6.822 51 2HB ASN 9 1HB ASN 9 -13.929 1.567 5.369 52 1HD2 ASN 9 1HD2 ASN 9 -14.853 4.093 7.790 53 2HD2 ASN 9 2HD2 ASN 9 -15.058 5.315 6.635 54 H GLY 10 H GLY 10 -16.969 -0.117 7.550 55 1HA GLY 10 2HA GLY 10 -17.300 -2.387 7.528 56 2HA GLY 10 1HA GLY 10 -15.760 -2.554 6.714 57 H GLY 11 H GLY 11 -14.775 -0.788 9.122 58 1HA GLY 11 2HA GLY 11 -14.956 -1.755 11.621 59 2HA GLY 11 1HA GLY 11 -13.962 -3.005 10.861 60 H CYS 12 H CYS 12 -13.480 -0.001 9.345 61 HA CYS 12 HA CYS 12 -11.329 0.867 11.122 62 1HB CYS 12 2HB CYS 12 -11.132 0.019 8.248 63 2HB CYS 12 1HB CYS 12 -9.935 0.914 9.084 64 H SER 13 H SER 13 -10.621 2.282 8.359 65 HA SER 13 HA SER 13 -12.779 4.077 7.888 66 1HB SER 13 2HB SER 13 -11.660 6.127 8.848 67 2HB SER 13 1HB SER 13 -11.980 4.938 10.118 68 HG SER 13 HG SER 13 -9.850 4.120 9.745 69 H HIS 14 H HIS 14 -10.972 2.330 6.674 70 HA HIS 14 HA HIS 14 -9.379 3.981 4.790 71 1HB HIS 14 2HB HIS 14 -9.483 0.955 5.336 72 2HB HIS 14 1HB HIS 14 -8.355 1.754 4.265 73 HD1 HIS 14 1HD HIS 14 -7.541 0.155 6.832 74 HD2 HIS 14 2HD HIS 14 -7.759 4.229 6.655 75 HE1 HIS 14 1HE HIS 14 -6.094 1.008 8.640 76 H VAL 15 H VAL 15 -10.224 1.025 3.493 77 HA VAL 15 HA VAL 15 -12.453 2.230 1.961 78 HB VAL 15 HB VAL 15 -10.534 1.266 0.755 79 1HG1 VAL 15 1HG1 VAL 15 -10.121 -1.130 0.706 80 2HG1 VAL 15 2HG1 VAL 15 -11.290 -1.417 1.977 81 3HG1 VAL 15 3HG1 VAL 15 -9.835 -0.502 2.320 82 1HG2 VAL 15 1HG2 VAL 15 -12.810 1.151 -0.312 83 2HG2 VAL 15 2HG2 VAL 15 -13.103 -0.396 0.462 84 3HG2 VAL 15 3HG2 VAL 15 -11.868 -0.256 -0.773 85 H CYS 16 H CYS 16 -14.468 1.703 2.442 86 HA CYS 16 HA CYS 16 -15.045 -0.368 4.433 87 1HB CYS 16 2HB CYS 16 -17.320 0.515 4.213 88 2HB CYS 16 1HB CYS 16 -16.192 1.800 4.494 89 H ASN 17 H ASN 17 -14.527 -2.333 3.367 90 HA ASN 17 HA ASN 17 -15.570 -2.787 0.657 91 1HB ASN 17 2HB ASN 17 -13.424 -3.699 1.228 92 2HB ASN 17 1HB ASN 17 -14.028 -4.530 2.631 93 1HD2 ASN 17 1HD2 ASN 17 -13.257 -6.595 1.622 94 2HD2 ASN 17 2HD2 ASN 17 -14.108 -7.306 0.342 95 H ASP 18 H ASP 18 -17.625 -2.645 0.789 96 HA ASP 18 HA ASP 18 -19.311 -3.908 2.786 97 1HB ASP 18 2HB ASP 18 -19.984 -1.821 1.620 98 2HB ASP 18 1HB ASP 18 -20.054 -2.675 0.094 99 H LEU 19 H LEU 19 -18.600 -6.012 2.680 100 HA LEU 19 HA LEU 19 -18.705 -7.720 0.435 101 1HB LEU 19 2HB LEU 19 -17.591 -7.941 2.824 102 2HB LEU 19 1HB LEU 19 -19.171 -8.438 3.347 103 HG LEU 19 HG LEU 19 -19.153 -10.344 1.736 104 1HD1 LEU 19 1HD1 LEU 19 -16.289 -9.389 1.329 105 2HD1 LEU 19 2HD1 LEU 19 -17.546 -9.293 0.112 106 3HD1 LEU 19 3HD1 LEU 19 -16.976 -10.861 0.647 107 1HD2 LEU 19 1HD2 LEU 19 -18.446 -10.588 4.088 108 2HD2 LEU 19 2HD2 LEU 19 -16.798 -10.174 3.649 109 3HD2 LEU 19 3HD2 LEU 19 -17.526 -11.660 3.054 110 H LYS 20 H LYS 20 -20.383 -9.672 0.451 111 HA LYS 20 HA LYS 20 -23.017 -8.468 0.301 112 1HB LYS 20 2HB LYS 20 -23.754 -10.752 -0.316 113 2HB LYS 20 1HB LYS 20 -22.302 -10.320 -1.195 114 1HG LYS 20 2HG LYS 20 -20.929 -11.665 0.409 115 2HG LYS 20 1HG LYS 20 -22.398 -12.132 1.257 116 1HD LYS 20 2HD LYS 20 -23.303 -13.156 -0.805 117 2HD LYS 20 1HD LYS 20 -21.842 -12.712 -1.672 118 1HE LYS 20 2HE LYS 20 -20.490 -14.116 -0.122 119 2HE LYS 20 1HE LYS 20 -21.954 -14.558 0.752 120 1HZ LYS 20 1HZ LYS 20 -21.322 -16.230 -0.857 121 2HZ LYS 20 2HZ LYS 20 -21.436 -15.095 -2.114 122 3HZ LYS 20 3HZ LYS 20 -22.826 -15.547 -1.250 123 H ILE 21 H ILE 21 -21.369 -10.749 2.443 124 HA ILE 21 HA ILE 21 -22.997 -9.959 4.744 125 HB ILE 21 HB ILE 21 -22.640 -12.811 3.720 126 1HG1 ILE 21 2HG1 ILE 21 -25.190 -11.151 4.054 127 2HG1 ILE 21 1HG1 ILE 21 -24.459 -11.594 2.525 128 1HG2 ILE 21 1HG2 ILE 21 -23.950 -13.469 5.754 129 2HG2 ILE 21 2HG2 ILE 21 -23.965 -11.784 6.262 130 3HG2 ILE 21 3HG2 ILE 21 -22.450 -12.675 6.180 131 1HD1 ILE 21 1HD1 ILE 21 -24.846 -13.984 2.979 132 2HD1 ILE 21 2HD1 ILE 21 -26.344 -13.067 3.001 133 3HD1 ILE 21 3HD1 ILE 21 -25.615 -13.584 4.508 134 H GLY 22 H GLY 22 -21.273 -9.190 5.938 135 1HA GLY 22 2HA GLY 22 -19.602 -9.808 7.568 136 2HA GLY 22 1HA GLY 22 -19.008 -10.960 6.407 137 H TYR 23 H TYR 23 -19.806 -7.625 6.082 138 HA TYR 23 HA TYR 23 -17.960 -6.567 4.352 139 1HB TYR 23 2HB TYR 23 -18.521 -5.010 6.872 140 2HB TYR 23 1HB TYR 23 -18.386 -4.426 5.225 141 HD1 TYR 23 1HD TYR 23 -20.236 -6.472 3.851 142 HD2 TYR 23 2HD TYR 23 -20.627 -4.217 7.423 143 HE1 TYR 23 1HE TYR 23 -22.690 -6.623 3.682 144 HE2 TYR 23 2HE TYR 23 -23.078 -4.361 7.255 145 HH TYR 23 HH TYR 23 -24.683 -6.412 5.787 146 H GLU 24 H GLU 24 -15.879 -5.396 4.564 147 HA GLU 24 HA GLU 24 -14.403 -5.890 7.010 148 1HB GLU 24 2HB GLU 24 -12.671 -6.966 5.687 149 2HB GLU 24 1HB GLU 24 -14.113 -7.952 5.815 150 1HG GLU 24 2HG GLU 24 -14.725 -6.982 3.479 151 2HG GLU 24 1HG GLU 24 -13.119 -6.264 3.472 152 H CYS 25 H CYS 25 -12.190 -5.332 6.774 153 HA CYS 25 HA CYS 25 -11.823 -2.649 5.779 154 1HB CYS 25 2HB CYS 25 -11.707 -2.923 8.170 155 2HB CYS 25 1HB CYS 25 -10.598 -4.255 7.964 156 H LEU 26 H LEU 26 -10.908 -2.975 3.667 157 HA LEU 26 HA LEU 26 -8.557 -4.762 3.429 158 1HB LEU 26 2HB LEU 26 -9.796 -2.987 1.306 159 2HB LEU 26 1HB LEU 26 -8.762 -4.350 1.107 160 HG LEU 26 HG LEU 26 -11.593 -4.544 2.159 161 1HD1 LEU 26 1HD1 LEU 26 -10.427 -5.234 -0.580 162 2HD1 LEU 26 2HD1 LEU 26 -11.521 -3.905 -0.234 163 3HD1 LEU 26 3HD1 LEU 26 -12.071 -5.559 -0.089 164 1HD2 LEU 26 1HD2 LEU 26 -11.321 -6.968 1.832 165 2HD2 LEU 26 2HD2 LEU 26 -10.159 -6.380 3.007 166 3HD2 LEU 26 3HD2 LEU 26 -9.645 -6.744 1.366 167 H CYS 27 H CYS 27 -7.105 -3.284 1.636 168 HA CYS 27 HA CYS 27 -5.808 -1.360 3.352 169 1HB CYS 27 2HB CYS 27 -5.303 -2.326 0.554 170 2HB CYS 27 1HB CYS 27 -4.350 -1.058 1.237 171 HA PRO 28 HA PRO 28 -7.540 2.320 1.618 172 1HB PRO 28 2HB PRO 28 -5.357 4.030 2.232 173 2HB PRO 28 1HB PRO 28 -6.685 3.653 3.278 174 1HG PRO 28 2HG PRO 28 -3.986 2.880 3.597 175 2HG PRO 28 1HG PRO 28 -5.364 2.434 4.610 176 1HD PRO 28 2HD PRO 28 -3.959 0.881 2.549 177 2HD PRO 28 1HD PRO 28 -4.982 0.346 3.899 178 H ASP 29 H ASP 29 -4.073 2.529 1.138 179 HA ASP 29 HA ASP 29 -4.408 3.291 -1.693 180 1HB ASP 29 2HB ASP 29 -2.125 4.130 -1.434 181 2HB ASP 29 1HB ASP 29 -3.098 4.718 -0.108 182 H GLY 30 H GLY 30 -1.667 2.497 -2.286 183 1HA GLY 30 2HA GLY 30 -2.100 -0.027 -3.402 184 2HA GLY 30 1HA GLY 30 -0.603 0.848 -3.435 185 H PHE 31 H PHE 31 -0.454 0.661 -0.324 186 HA PHE 31 HA PHE 31 1.243 -1.551 -0.164 187 1HB PHE 31 2HB PHE 31 -0.450 -0.192 1.959 188 2HB PHE 31 1HB PHE 31 0.924 -1.218 2.303 189 HD1 PHE 31 1HD PHE 31 0.225 2.001 2.470 190 HD2 PHE 31 2HD PHE 31 2.855 -0.445 0.182 191 HE1 PHE 31 1HE PHE 31 1.701 3.914 2.087 192 HE2 PHE 31 2HE PHE 31 4.323 1.466 -0.186 193 HZ PHE 31 HZ PHE 31 3.779 3.629 0.772 194 H GLN 32 H GLN 32 1.059 -3.320 1.483 195 HA GLN 32 HA GLN 32 -1.198 -5.061 0.708 196 1HB GLN 32 2HB GLN 32 1.469 -5.609 2.067 197 2HB GLN 32 1HB GLN 32 0.321 -6.830 1.583 198 1HG GLN 32 2HG GLN 32 1.769 -4.895 -0.292 199 2HG GLN 32 1HG GLN 32 2.160 -6.591 -0.086 200 1HE2 GLN 32 1HE2 GLN 32 0.648 -8.188 -0.953 201 2HE2 GLN 32 2HE2 GLN 32 -0.520 -7.747 -2.105 202 H LEU 33 H LEU 33 -2.593 -5.924 2.231 203 HA LEU 33 HA LEU 33 -2.706 -4.553 4.839 204 1HB LEU 33 2HB LEU 33 -4.772 -5.197 3.355 205 2HB LEU 33 1HB LEU 33 -4.487 -6.845 3.849 206 HG LEU 33 HG LEU 33 -4.640 -6.022 6.284 207 1HD1 LEU 33 1HD1 LEU 33 -5.808 -3.842 6.639 208 2HD1 LEU 33 2HD1 LEU 33 -5.745 -3.533 4.917 209 3HD1 LEU 33 3HD1 LEU 33 -4.264 -3.598 5.854 210 1HD2 LEU 33 1HD2 LEU 33 -7.113 -5.918 6.298 211 2HD2 LEU 33 2HD2 LEU 33 -6.540 -7.192 5.235 212 3HD2 LEU 33 3HD2 LEU 33 -7.109 -5.669 4.564 213 H VAL 34 H VAL 34 -0.565 -5.448 5.356 214 HA VAL 34 HA VAL 34 -0.273 -8.302 5.854 215 HB VAL 34 HB VAL 34 1.528 -5.956 6.596 216 1HG1 VAL 34 1HG1 VAL 34 2.144 -8.945 6.479 217 2HG1 VAL 34 2HG1 VAL 34 2.032 -7.995 7.951 218 3HG1 VAL 34 3HG1 VAL 34 3.314 -7.677 6.799 219 1HG2 VAL 34 1HG2 VAL 34 1.633 -7.860 4.215 220 2HG2 VAL 34 2HG2 VAL 34 2.818 -6.617 4.579 221 3HG2 VAL 34 3HG2 VAL 34 1.179 -6.166 4.153 222 H ALA 35 H ALA 35 -0.156 -5.489 7.979 223 HA ALA 35 HA ALA 35 -0.358 -7.064 10.339 224 1HB ALA 35 1HB ALA 35 1.027 -5.090 10.287 225 2HB ALA 35 2HB ALA 35 -0.243 -4.821 11.469 226 3HB ALA 35 3HB ALA 35 -0.341 -4.080 9.877 227 H GLN 36 H GLN 36 -2.521 -7.798 9.161 228 HA GLN 36 HA GLN 36 -4.755 -8.213 9.370 229 1HB GLN 36 2HB GLN 36 -4.540 -6.561 11.920 230 2HB GLN 36 1HB GLN 36 -5.885 -7.587 11.477 231 1HG GLN 36 2HG GLN 36 -4.404 -9.583 11.460 232 2HG GLN 36 1HG GLN 36 -3.019 -8.576 11.869 233 1HE2 GLN 36 1HE2 GLN 36 -2.945 -7.624 14.021 234 2HE2 GLN 36 2HE2 GLN 36 -3.925 -8.216 15.276 235 H ARG 37 H ARG 37 -4.731 -4.937 10.725 236 HA ARG 37 HA ARG 37 -6.698 -4.102 8.629 237 1HB ARG 37 2HB ARG 37 -6.477 -3.175 11.520 238 2HB ARG 37 1HB ARG 37 -7.696 -2.658 10.372 239 1HG ARG 37 2HG ARG 37 -7.340 -5.520 11.411 240 2HG ARG 37 1HG ARG 37 -8.605 -4.411 11.893 241 1HD ARG 37 2HD ARG 37 -9.447 -4.321 9.599 242 2HD ARG 37 1HD ARG 37 -8.188 -5.432 9.057 243 HE ARG 37 HE ARG 37 -9.787 -6.511 11.225 244 1HH1 ARG 37 2HH1 ARG 37 -9.531 -6.029 7.791 245 2HH1 ARG 37 1HH1 ARG 37 -10.537 -7.384 7.415 246 1HH2 ARG 37 1HH2 ARG 37 -11.070 -8.232 10.756 247 2HH2 ARG 37 2HH2 ARG 37 -11.421 -8.648 9.111 248 H ARG 38 H ARG 38 -3.653 -3.699 9.770 249 HA ARG 38 HA ARG 38 -3.381 -0.871 8.912 250 1HB ARG 38 2HB ARG 38 -1.640 -2.741 10.560 251 2HB ARG 38 1HB ARG 38 -1.178 -1.116 10.121 252 1HG ARG 38 2HG ARG 38 -3.215 -0.274 11.348 253 2HG ARG 38 1HG ARG 38 -3.644 -1.929 11.748 254 1HD ARG 38 2HD ARG 38 -1.532 -2.202 13.009 255 2HD ARG 38 1HD ARG 38 -1.058 -0.554 12.622 256 HE ARG 38 HE ARG 38 -3.063 -1.381 14.585 257 1HH1 ARG 38 2HH1 ARG 38 -1.924 1.178 12.538 258 2HH1 ARG 38 1HH1 ARG 38 -2.643 2.420 13.505 259 1HH2 ARG 38 1HH2 ARG 38 -3.983 0.174 15.816 260 2HH2 ARG 38 2HH2 ARG 38 -3.829 1.844 15.388 261 H CYS 39 H CYS 39 -2.890 -0.742 6.868 262 HA CYS 39 HA CYS 39 -1.523 -2.946 5.462 263 1HB CYS 39 2HB CYS 39 -3.629 -1.967 4.630 264 2HB CYS 39 1HB CYS 39 -2.821 -0.441 4.430 265 H GLU 40 H GLU 40 0.511 -2.931 4.883 266 HA GLU 40 HA GLU 40 1.962 -0.400 4.367 267 1HB GLU 40 2HB GLU 40 2.424 -1.051 6.775 268 2HB GLU 40 1HB GLU 40 2.997 -2.605 6.216 269 1HG GLU 40 2HG GLU 40 4.848 -1.587 4.980 270 2HG GLU 40 1HG GLU 40 4.272 0.025 5.295 271 H ASP 41 H ASP 41 3.972 -0.742 3.283 272 HA ASP 41 HA ASP 41 3.744 -2.660 1.119 273 1HB ASP 41 2HB ASP 41 4.827 -0.374 0.809 274 2HB ASP 41 1HB ASP 41 6.067 -0.850 1.916 275 H ILE 42 H ILE 42 5.569 -4.071 0.575 276 HA ILE 42 HA ILE 42 6.063 -6.006 2.535 277 HB ILE 42 HB ILE 42 7.663 -5.380 0.007 278 1HG1 ILE 42 2HG1 ILE 42 5.293 -5.709 -0.537 279 2HG1 ILE 42 1HG1 ILE 42 6.233 -7.054 -1.132 280 1HG2 ILE 42 1HG2 ILE 42 7.538 -8.002 1.557 281 2HG2 ILE 42 2HG2 ILE 42 8.930 -6.946 1.433 282 3HG2 ILE 42 3HG2 ILE 42 8.335 -7.773 0.010 283 1HD1 ILE 42 1HD1 ILE 42 4.569 -7.077 1.429 284 2HD1 ILE 42 2HD1 ILE 42 5.519 -8.428 0.831 285 3HD1 ILE 42 3HD1 ILE 42 4.144 -7.847 -0.087 286 H ASP 43 H ASP 43 8.259 -6.571 3.534 287 HA ASP 43 HA ASP 43 9.663 -4.053 4.299 288 1HB ASP 43 2HB ASP 43 8.632 -5.563 6.053 289 2HB ASP 43 1HB ASP 43 9.822 -6.779 5.635 290 H GLU 44 H GLU 44 11.403 -3.642 3.241 291 HA GLU 44 HA GLU 44 12.951 -5.623 1.778 292 1HB GLU 44 2HB GLU 44 13.541 -2.679 2.151 293 2HB GLU 44 1HB GLU 44 14.131 -3.749 0.900 294 1HG GLU 44 2HG GLU 44 12.514 -2.334 0.036 295 2HG GLU 44 1HG GLU 44 11.867 -3.964 -0.047 296 H CYS 45 H CYS 45 13.126 -3.988 4.814 297 HA CYS 45 HA CYS 45 15.919 -4.059 5.180 298 1HB CYS 45 2HB CYS 45 13.684 -3.917 7.241 299 2HB CYS 45 1HB CYS 45 15.357 -3.665 7.556 300 H GLN 46 H GLN 46 13.496 -5.804 6.890 301 HA GLN 46 HA GLN 46 14.948 -7.724 8.214 302 1HB GLN 46 2HB GLN 46 12.206 -8.016 6.913 303 2HB GLN 46 1HB GLN 46 12.827 -9.073 8.158 304 1HG GLN 46 2HG GLN 46 12.384 -6.070 8.487 305 2HG GLN 46 1HG GLN 46 11.331 -7.319 9.126 306 1HE2 GLN 46 1HE2 GLN 46 12.446 -8.898 10.703 307 2HE2 GLN 46 2HE2 GLN 46 13.654 -8.263 11.712 308 H ASP 47 H ASP 47 13.671 -7.911 4.959 309 HA ASP 47 HA ASP 47 14.803 -10.465 4.399 310 1HB ASP 47 2HB ASP 47 12.699 -9.738 3.308 311 2HB ASP 47 1HB ASP 47 13.528 -8.373 2.583 312 HA PRO 48 HA PRO 48 18.760 -8.700 3.235 313 1HB PRO 48 2HB PRO 48 19.810 -10.766 1.756 314 2HB PRO 48 1HB PRO 48 19.671 -10.850 3.494 315 1HG PRO 48 2HG PRO 48 17.836 -11.996 1.430 316 2HG PRO 48 1HG PRO 48 18.455 -12.737 2.916 317 1HD PRO 48 2HD PRO 48 15.979 -11.689 2.752 318 2HD PRO 48 1HD PRO 48 16.923 -11.657 4.250 319 H ASP 49 H ASP 49 17.797 -7.070 2.027 320 HA ASP 49 HA ASP 49 18.003 -7.387 -0.921 321 1HB ASP 49 2HB ASP 49 15.623 -7.573 -0.357 322 2HB ASP 49 1HB ASP 49 15.700 -6.115 0.612 323 H THR 50 H THR 50 17.610 -5.049 1.694 324 HA THR 50 HA THR 50 18.712 -2.850 0.170 325 HB THR 50 HB THR 50 18.394 -1.675 2.448 326 HG1 THR 50 1HG THR 50 17.392 -3.071 4.005 327 1HG2 THR 50 1HG2 THR 50 15.929 -1.992 2.559 328 2HG2 THR 50 2HG2 THR 50 16.067 -3.495 1.661 329 3HG2 THR 50 3HG2 THR 50 16.392 -1.964 0.865 330 H CYS 51 H CYS 51 19.914 -2.903 3.317 331 HA CYS 51 HA CYS 51 22.700 -3.223 2.370 332 1HB CYS 51 2HB CYS 51 21.376 -1.877 4.700 333 2HB CYS 51 1HB CYS 51 23.092 -2.144 4.669 334 H SER 52 H SER 52 24.243 -4.270 3.785 335 HA SER 52 HA SER 52 23.508 -6.925 4.432 336 1HB SER 52 2HB SER 52 25.858 -6.262 3.900 337 2HB SER 52 1HB SER 52 25.938 -5.353 5.417 338 HG SER 52 HG SER 52 24.981 -7.907 5.700 339 H GLN 53 H GLN 53 23.744 -4.081 6.468 340 HA GLN 53 HA GLN 53 22.687 -5.699 8.756 341 1HB GLN 53 2HB GLN 53 24.586 -3.343 8.793 342 2HB GLN 53 1HB GLN 53 23.952 -4.127 10.231 343 1HG GLN 53 2HG GLN 53 25.611 -5.494 8.061 344 2HG GLN 53 1HG GLN 53 26.230 -5.013 9.627 345 1HE2 GLN 53 1HE2 GLN 53 25.210 -7.681 8.007 346 2HE2 GLN 53 2HE2 GLN 53 24.622 -8.607 9.303 347 H LEU 54 H LEU 54 22.954 -2.187 9.092 348 HA LEU 54 HA LEU 54 20.217 -2.120 9.807 349 1HB LEU 54 2HB LEU 54 22.089 0.141 9.178 350 2HB LEU 54 1HB LEU 54 20.478 0.330 9.815 351 HG LEU 54 HG LEU 54 22.889 -0.794 11.210 352 1HD1 LEU 54 1HD1 LEU 54 20.792 1.341 11.736 353 2HD1 LEU 54 2HD1 LEU 54 22.402 1.672 11.133 354 3HD1 LEU 54 3HD1 LEU 54 22.184 1.031 12.766 355 1HD2 LEU 54 1HD2 LEU 54 20.962 -2.293 11.675 356 2HD2 LEU 54 2HD2 LEU 54 20.000 -0.876 12.108 357 3HD2 LEU 54 3HD2 LEU 54 21.413 -1.324 13.072 358 H CYS 55 H CYS 55 18.677 -0.996 9.270 359 HA CYS 55 HA CYS 55 18.225 0.278 6.689 360 1HB CYS 55 2HB CYS 55 18.160 -2.157 6.110 361 2HB CYS 55 1HB CYS 55 16.954 -2.394 7.322 362 H VAL 56 H VAL 56 15.634 0.563 6.550 363 HA VAL 56 HA VAL 56 14.253 0.727 9.108 364 HB VAL 56 HB VAL 56 15.721 2.695 9.333 365 1HG1 VAL 56 1HG1 VAL 56 14.648 3.727 6.667 366 2HG1 VAL 56 2HG1 VAL 56 16.271 3.135 6.971 367 3HG1 VAL 56 3HG1 VAL 56 15.699 4.590 7.763 368 1HG2 VAL 56 1HG2 VAL 56 12.883 3.544 8.630 369 2HG2 VAL 56 2HG2 VAL 56 14.015 4.483 9.583 370 3HG2 VAL 56 3HG2 VAL 56 13.431 2.943 10.185 371 H ASN 57 H ASN 57 12.698 -0.422 8.158 372 HA ASN 57 HA ASN 57 11.419 0.322 5.641 373 1HB ASN 57 2HB ASN 57 11.810 -2.055 6.198 374 2HB ASN 57 1HB ASN 57 10.774 -1.863 7.609 375 1HD2 ASN 57 1HD2 ASN 57 8.886 -2.980 7.183 376 2HD2 ASN 57 2HD2 ASN 57 7.992 -2.848 5.746 377 H LEU 58 H LEU 58 9.282 0.450 5.324 378 HA LEU 58 HA LEU 58 7.075 0.857 6.996 379 1HB LEU 58 2HB LEU 58 6.788 3.285 7.097 380 2HB LEU 58 1HB LEU 58 8.274 2.876 7.878 381 HG LEU 58 HG LEU 58 8.211 3.829 4.994 382 1HD1 LEU 58 1HD1 LEU 58 8.859 6.064 5.953 383 2HD1 LEU 58 2HD1 LEU 58 8.709 5.419 7.580 384 3HD1 LEU 58 3HD1 LEU 58 7.287 5.587 6.566 385 1HD2 LEU 58 1HD2 LEU 58 10.409 3.716 7.078 386 2HD2 LEU 58 2HD2 LEU 58 10.564 4.373 5.459 387 3HD2 LEU 58 3HD2 LEU 58 10.264 2.667 5.674 388 H GLU 59 H GLU 59 5.895 2.953 5.610 389 HA GLU 59 HA GLU 59 5.062 1.631 3.185 390 1HB GLU 59 2HB GLU 59 4.251 4.126 4.652 391 2HB GLU 59 1HB GLU 59 3.672 3.975 3.044 392 1HG GLU 59 2HG GLU 59 1.893 3.047 4.354 393 2HG GLU 59 1HG GLU 59 2.760 1.641 3.834 394 H GLY 60 H GLY 60 6.495 1.503 1.782 395 1HA GLY 60 2HA GLY 60 7.790 1.967 -0.040 396 2HA GLY 60 1HA GLY 60 6.735 3.350 -0.244 397 H GLY 61 H GLY 61 7.897 3.953 2.628 398 1HA GLY 61 2HA GLY 61 9.967 5.818 1.700 399 2HA GLY 61 1HA GLY 61 9.264 5.736 3.312 400 H TYR 62 H TYR 62 10.036 2.731 2.646 401 HA TYR 62 HA TYR 62 11.995 2.359 4.543 402 1HB TYR 62 2HB TYR 62 12.483 0.192 3.520 403 2HB TYR 62 1HB TYR 62 10.765 0.522 3.380 404 HD1 TYR 62 1HD TYR 62 13.894 0.111 1.599 405 HD2 TYR 62 2HD TYR 62 9.816 1.250 1.141 406 HE1 TYR 62 1HE TYR 62 14.119 -0.114 -0.813 407 HE2 TYR 62 2HE TYR 62 10.039 1.025 -1.285 408 HH TYR 62 HH TYR 62 12.797 0.996 -2.899 409 H LYS 63 H LYS 63 14.207 2.514 4.763 410 HA LYS 63 HA LYS 63 15.780 3.173 2.354 411 1HB LYS 63 2HB LYS 63 16.104 4.385 5.090 412 2HB LYS 63 1HB LYS 63 17.027 4.681 3.673 413 1HG LYS 63 2HG LYS 63 15.048 5.637 2.501 414 2HG LYS 63 1HG LYS 63 14.086 5.313 3.935 415 1HD LYS 63 2HD LYS 63 15.489 6.839 5.276 416 2HD LYS 63 1HD LYS 63 16.492 7.171 3.875 417 1HE LYS 63 2HE LYS 63 14.801 8.962 4.186 418 2HE LYS 63 1HE LYS 63 14.504 8.106 2.680 419 1HZ LYS 63 1HZ LYS 63 12.638 7.149 3.480 420 2HZ LYS 63 2HZ LYS 63 12.613 8.568 4.413 421 3HZ LYS 63 3HZ LYS 63 13.181 7.117 5.086 422 H CYS 64 H CYS 64 17.814 2.654 2.460 423 HA CYS 64 HA CYS 64 18.570 0.250 4.050 424 1HB CYS 64 2HB CYS 64 18.763 0.434 1.701 425 2HB CYS 64 1HB CYS 64 19.896 1.756 1.801 426 H GLN 65 H GLN 65 20.548 0.271 4.989 427 HA GLN 65 HA GLN 65 21.918 2.815 5.758 428 1HB GLN 65 2HB GLN 65 20.686 1.208 7.995 429 2HB GLN 65 1HB GLN 65 21.565 2.689 8.153 430 1HG GLN 65 2HG GLN 65 19.827 3.950 6.934 431 2HG GLN 65 1HG GLN 65 18.855 2.485 6.805 432 1HE2 GLN 65 1HE2 GLN 65 18.810 1.307 9.177 433 2HE2 GLN 65 2HE2 GLN 65 18.310 2.353 10.417 434 H CYS 66 H CYS 66 23.338 2.119 7.986 435 HA CYS 66 HA CYS 66 24.838 -0.310 7.238 436 1HB CYS 66 2HB CYS 66 26.032 2.370 7.897 437 2HB CYS 66 1HB CYS 66 26.835 0.940 7.665 438 H GLU 67 H GLU 67 26.354 -1.011 8.772 439 HA GLU 67 HA GLU 67 25.316 -0.939 11.530 440 1HB GLU 67 2HB GLU 67 25.997 -3.059 10.356 441 2HB GLU 67 1HB GLU 67 27.644 -2.488 10.289 442 1HG GLU 67 2HG GLU 67 27.695 -2.480 12.831 443 2HG GLU 67 1HG GLU 67 26.044 -3.075 12.825 444 H GLU 68 H GLU 68 26.158 1.492 10.855 445 HA GLU 68 HA GLU 68 27.447 3.282 11.505 446 1HB GLU 68 2HB GLU 68 28.511 1.267 13.561 447 2HB GLU 68 1HB GLU 68 28.847 2.970 13.595 448 1HG GLU 68 2HG GLU 68 26.973 2.418 15.129 449 2HG GLU 68 1HG GLU 68 26.379 3.430 13.829 450 H GLY 69 H GLY 69 29.861 0.834 12.214 451 1HA GLY 69 2HA GLY 69 32.048 2.117 11.074 452 2HA GLY 69 1HA GLY 69 31.972 0.387 11.377 453 H PHE 70 H PHE 70 29.553 0.305 9.550 454 HA PHE 70 HA PHE 70 30.978 -0.331 7.182 455 1HB PHE 70 2HB PHE 70 28.099 -0.346 7.961 456 2HB PHE 70 1HB PHE 70 28.565 -0.804 6.338 457 HD1 PHE 70 1HD PHE 70 30.729 -1.808 9.157 458 HD2 PHE 70 2HD PHE 70 27.403 -2.921 6.742 459 HE1 PHE 70 1HE PHE 70 30.923 -4.110 9.962 460 HE2 PHE 70 2HE PHE 70 27.609 -5.230 7.549 461 HZ PHE 70 HZ PHE 70 29.363 -5.830 9.158 462 H GLN 71 H GLN 71 30.454 0.506 5.067 463 HA GLN 71 HA GLN 71 29.400 3.243 4.971 464 1HB GLN 71 2HB GLN 71 32.042 2.146 4.085 465 2HB GLN 71 1HB GLN 71 31.333 3.366 3.086 466 1HG GLN 71 2HG GLN 71 31.825 3.657 6.094 467 2HG GLN 71 1HG GLN 71 32.838 4.365 4.835 468 1HE2 GLN 71 1HE2 GLN 71 31.511 6.029 6.693 469 2HE2 GLN 71 2HE2 GLN 71 30.301 6.911 5.892 470 H LEU 72 H LEU 72 29.317 3.971 2.713 471 HA LEU 72 HA LEU 72 27.427 2.171 1.358 472 1HB LEU 72 2HB LEU 72 27.060 4.647 1.455 473 2HB LEU 72 1HB LEU 72 28.484 4.881 0.460 474 HG LEU 72 HG LEU 72 27.397 3.409 -1.312 475 1HD1 LEU 72 1HD1 LEU 72 25.794 2.172 0.115 476 2HD1 LEU 72 2HD1 LEU 72 24.960 3.011 -1.176 477 3HD1 LEU 72 3HD1 LEU 72 24.933 3.663 0.452 478 1HD2 LEU 72 1HD2 LEU 72 27.299 5.878 -1.461 479 2HD2 LEU 72 2HD2 LEU 72 25.838 5.891 -0.481 480 3HD2 LEU 72 3HD2 LEU 72 25.817 5.165 -2.083 481 H ASP 73 H ASP 73 28.400 0.509 0.469 482 HA ASP 73 HA ASP 73 30.962 0.597 -0.892 483 1HB ASP 73 2HB ASP 73 30.028 -1.440 0.269 484 2HB ASP 73 1HB ASP 73 28.804 -1.572 -0.979 485 HA PRO 74 HA PRO 74 29.072 2.027 -4.713 486 1HB PRO 74 2HB PRO 74 31.199 2.038 -6.322 487 2HB PRO 74 1HB PRO 74 31.124 3.121 -4.952 488 1HG PRO 74 2HG PRO 74 32.520 0.478 -5.135 489 2HG PRO 74 1HG PRO 74 33.127 2.030 -4.528 490 1HD PRO 74 2HD PRO 74 32.177 0.076 -2.889 491 2HD PRO 74 1HD PRO 74 32.071 1.805 -2.495 492 H HIS 75 H HIS 75 28.730 1.357 -6.883 493 HA HIS 75 HA HIS 75 28.036 -0.149 -8.520 494 1HB HIS 75 2HB HIS 75 30.246 -1.929 -7.379 495 2HB HIS 75 1HB HIS 75 29.476 -2.107 -8.947 496 HD1 HIS 75 1HD HIS 75 31.794 0.163 -7.153 497 HD2 HIS 75 2HD HIS 75 30.354 -0.305 -10.945 498 HE1 HIS 75 1HE HIS 75 33.138 1.649 -8.595 499 H THR 76 H THR 76 27.577 -0.604 -5.412 500 HA THR 76 HA THR 76 25.684 -2.875 -5.723 501 HB THR 76 HB THR 76 26.368 -3.637 -3.388 502 HG1 THR 76 1HG THR 76 28.380 -1.702 -3.838 503 1HG2 THR 76 1HG2 THR 76 28.618 -4.573 -3.975 504 2HG2 THR 76 2HG2 THR 76 28.817 -3.386 -5.252 505 3HG2 THR 76 3HG2 THR 76 27.625 -4.663 -5.421 506 H LYS 77 H LYS 77 26.811 -0.171 -3.973 507 HA LYS 77 HA LYS 77 25.798 1.563 -2.780 508 1HB LYS 77 2HB LYS 77 23.359 0.524 -4.027 509 2HB LYS 77 1HB LYS 77 23.486 2.061 -3.212 510 1HG LYS 77 2HG LYS 77 25.264 2.758 -4.845 511 2HG LYS 77 1HG LYS 77 25.128 1.221 -5.663 512 1HD LYS 77 2HD LYS 77 23.955 2.882 -6.968 513 2HD LYS 77 1HD LYS 77 22.784 1.768 -6.310 514 1HE LYS 77 2HE LYS 77 23.388 4.516 -5.134 515 2HE LYS 77 1HE LYS 77 22.031 4.157 -6.185 516 1HZ LYS 77 1HZ LYS 77 20.962 3.799 -4.299 517 2HZ LYS 77 2HZ LYS 77 22.383 3.623 -3.389 518 3HZ LYS 77 3HZ LYS 77 21.765 2.303 -4.263 519 H ALA 78 H ALA 78 25.876 -1.375 -1.932 520 HA ALA 78 HA ALA 78 23.852 -1.417 0.253 521 1HB ALA 78 1HB ALA 78 24.081 -3.444 -1.182 522 2HB ALA 78 2HB ALA 78 24.544 -3.798 0.476 523 3HB ALA 78 3HB ALA 78 25.780 -3.557 -0.751 524 H CYS 79 H CYS 79 24.648 -1.963 2.429 525 HA CYS 79 HA CYS 79 27.218 -0.612 2.954 526 1HB CYS 79 2HB CYS 79 25.028 -1.429 4.801 527 2HB CYS 79 1HB CYS 79 26.513 -0.725 5.336 528 H LYS 80 H LYS 80 28.869 -1.327 3.961 529 HA LYS 80 HA LYS 80 29.006 -3.864 5.369 530 1HB LYS 80 2HB LYS 80 30.692 -4.784 4.035 531 2HB LYS 80 1HB LYS 80 29.153 -4.791 3.210 532 1HG LYS 80 2HG LYS 80 30.658 -4.203 1.463 533 2HG LYS 80 1HG LYS 80 29.900 -2.711 1.934 534 1HD LYS 80 2HD LYS 80 32.290 -2.389 1.507 535 2HD LYS 80 1HD LYS 80 31.949 -2.011 3.164 536 1HE LYS 80 2HE LYS 80 33.999 -3.398 2.942 537 2HE LYS 80 1HE LYS 80 32.784 -4.308 3.823 538 1HZ LYS 80 1HZ LYS 80 32.864 -4.548 0.911 539 2HZ LYS 80 2HZ LYS 80 32.452 -5.704 2.084 540 3HZ LYS 80 3HZ LYS 80 34.084 -5.316 1.811 541 H ALA 81 H ALA 81 31.177 -4.186 6.307 542 HA ALA 81 HA ALA 81 32.266 -2.126 7.730 543 1HB ALA 81 1HB ALA 81 33.801 -4.457 6.552 544 2HB ALA 81 2HB ALA 81 32.893 -4.466 8.057 545 3HB ALA 81 3HB ALA 81 34.337 -3.476 7.908 546 H VAL 82 H VAL 82 33.065 -0.199 7.228 547 HA VAL 82 HA VAL 82 33.854 0.732 4.764 548 HB VAL 82 HB VAL 82 33.453 2.172 6.734 549 1HG1 VAL 82 1HG1 VAL 82 34.635 0.781 8.459 550 2HG1 VAL 82 2HG1 VAL 82 35.191 2.443 8.485 551 3HG1 VAL 82 3HG1 VAL 82 36.172 1.193 7.738 552 1HG2 VAL 82 1HG2 VAL 82 36.236 2.600 5.561 553 2HG2 VAL 82 2HG2 VAL 82 35.273 3.818 6.377 554 3HG2 VAL 82 3HG2 VAL 82 34.727 3.146 4.851 Start of MODEL 7 1 H GLY 1 H GLY 1 -22.774 -5.867 1.242 2 1HA GLY 1 2HA GLY 1 -24.366 -6.274 -0.937 3 2HA GLY 1 1HA GLY 1 -25.461 -6.652 0.393 4 H THR 2 H THR 2 -25.397 -4.933 2.190 5 HA THR 2 HA THR 2 -26.397 -2.527 1.224 6 HB THR 2 HB THR 2 -26.973 -3.313 3.439 7 HG1 THR 2 1HG THR 2 -26.796 -1.017 2.895 8 1HG2 THR 2 1HG2 THR 2 -25.319 -3.139 5.290 9 2HG2 THR 2 2HG2 THR 2 -24.102 -2.543 4.168 10 3HG2 THR 2 3HG2 THR 2 -24.656 -4.209 4.058 11 H ASN 3 H ASN 3 -25.652 -0.366 1.856 12 HA ASN 3 HA ASN 3 -22.842 0.049 0.995 13 1HB ASN 3 2HB ASN 3 -24.774 1.143 -0.228 14 2HB ASN 3 1HB ASN 3 -25.168 2.018 1.240 15 1HD2 ASN 3 1HD2 ASN 3 -24.695 3.716 -0.699 16 2HD2 ASN 3 2HD2 ASN 3 -23.131 4.377 -0.663 17 H GLU 4 H GLU 4 -22.605 -0.916 3.257 18 HA GLU 4 HA GLU 4 -23.032 0.776 5.558 19 1HB GLU 4 2HB GLU 4 -21.421 -0.972 6.597 20 2HB GLU 4 1HB GLU 4 -22.943 -1.570 5.980 21 1HG GLU 4 2HG GLU 4 -20.934 -2.934 5.378 22 2HG GLU 4 1HG GLU 4 -21.877 -2.464 3.988 23 H CYS 5 H CYS 5 -21.076 1.228 3.038 24 HA CYS 5 HA CYS 5 -18.592 1.892 4.226 25 1HB CYS 5 2HB CYS 5 -19.283 1.322 1.765 26 2HB CYS 5 1HB CYS 5 -19.643 3.012 1.640 27 H LEU 6 H LEU 6 -21.568 3.407 3.531 28 HA LEU 6 HA LEU 6 -21.155 6.121 3.601 29 1HB LEU 6 2HB LEU 6 -23.426 4.550 4.853 30 2HB LEU 6 1HB LEU 6 -23.478 6.256 4.481 31 HG LEU 6 HG LEU 6 -23.132 4.024 2.416 32 1HD1 LEU 6 1HD1 LEU 6 -25.386 4.127 3.400 33 2HD1 LEU 6 2HD1 LEU 6 -25.410 4.671 1.730 34 3HD1 LEU 6 3HD1 LEU 6 -25.482 5.845 3.037 35 1HD2 LEU 6 1HD2 LEU 6 -22.010 6.184 1.718 36 2HD2 LEU 6 2HD2 LEU 6 -23.509 7.041 2.031 37 3HD2 LEU 6 3HD2 LEU 6 -23.423 5.856 0.742 38 H ASP 7 H ASP 7 -21.602 3.990 6.349 39 HA ASP 7 HA ASP 7 -20.948 6.148 8.326 40 1HB ASP 7 2HB ASP 7 -22.959 4.534 8.622 41 2HB ASP 7 1HB ASP 7 -21.769 3.247 8.740 42 H ASN 8 H ASN 8 -19.730 4.408 10.152 43 HA ASN 8 HA ASN 8 -17.042 4.533 9.569 44 1HB ASN 8 2HB ASN 8 -18.518 2.592 11.182 45 2HB ASN 8 1HB ASN 8 -16.787 2.800 11.335 46 1HD2 ASN 8 1HD2 ASN 8 -16.018 4.829 12.272 47 2HD2 ASN 8 2HD2 ASN 8 -17.056 5.852 13.142 48 H ASN 9 H ASN 9 -16.002 3.611 7.917 49 HA ASN 9 HA ASN 9 -16.818 1.920 5.957 50 1HB ASN 9 2HB ASN 9 -14.673 3.168 6.064 51 2HB ASN 9 1HB ASN 9 -14.049 1.965 7.183 52 1HD2 ASN 9 1HD2 ASN 9 -13.779 -0.269 6.348 53 2HD2 ASN 9 2HD2 ASN 9 -13.524 -0.501 4.694 54 H GLY 10 H GLY 10 -18.191 0.309 6.829 55 1HA GLY 10 2HA GLY 10 -18.755 -1.831 7.485 56 2HA GLY 10 1HA GLY 10 -17.124 -2.262 6.997 57 H GLY 11 H GLY 11 -17.074 0.117 9.309 58 1HA GLY 11 2HA GLY 11 -17.523 -0.436 11.801 59 2HA GLY 11 1HA GLY 11 -16.381 -1.753 11.515 60 H CYS 12 H CYS 12 -14.719 -0.302 9.687 61 HA CYS 12 HA CYS 12 -13.196 1.369 11.587 62 1HB CYS 12 2HB CYS 12 -11.362 0.884 10.159 63 2HB CYS 12 1HB CYS 12 -12.221 -0.613 10.411 64 H SER 13 H SER 13 -11.921 2.338 8.908 65 HA SER 13 HA SER 13 -13.848 4.107 7.693 66 1HB SER 13 2HB SER 13 -12.763 6.244 8.536 67 2HB SER 13 1HB SER 13 -13.436 5.309 9.880 68 HG SER 13 HG SER 13 -10.763 5.204 8.926 69 H HIS 14 H HIS 14 -12.058 2.117 6.921 70 HA HIS 14 HA HIS 14 -10.011 3.535 5.305 71 1HB HIS 14 2HB HIS 14 -10.202 0.672 6.259 72 2HB HIS 14 1HB HIS 14 -8.912 1.331 5.288 73 HD1 HIS 14 1HD HIS 14 -9.575 3.912 7.508 74 HD2 HIS 14 2HD HIS 14 -7.735 0.305 7.987 75 HE1 HIS 14 1HE HIS 14 -8.209 4.100 9.559 76 H VAL 15 H VAL 15 -10.477 0.375 4.306 77 HA VAL 15 HA VAL 15 -11.946 1.233 1.852 78 HB VAL 15 HB VAL 15 -10.100 -1.127 2.319 79 1HG1 VAL 15 1HG1 VAL 15 -11.846 -1.692 0.619 80 2HG1 VAL 15 2HG1 VAL 15 -10.283 -1.521 -0.143 81 3HG1 VAL 15 3HG1 VAL 15 -11.468 -0.229 -0.271 82 1HG2 VAL 15 1HG2 VAL 15 -9.730 1.402 0.691 83 2HG2 VAL 15 2HG2 VAL 15 -8.606 0.051 0.764 84 3HG2 VAL 15 3HG2 VAL 15 -8.920 1.015 2.204 85 H CYS 16 H CYS 16 -14.043 0.737 1.927 86 HA CYS 16 HA CYS 16 -15.023 -1.522 3.487 87 1HB CYS 16 2HB CYS 16 -17.195 -0.771 2.656 88 2HB CYS 16 1HB CYS 16 -16.329 0.554 3.349 89 H ASN 17 H ASN 17 -13.809 -3.184 2.425 90 HA ASN 17 HA ASN 17 -14.442 -3.733 -0.427 91 1HB ASN 17 2HB ASN 17 -12.151 -3.875 0.137 92 2HB ASN 17 1HB ASN 17 -12.406 -4.726 1.621 93 1HD2 ASN 17 1HD2 ASN 17 -11.976 -6.943 1.374 94 2HD2 ASN 17 2HD2 ASN 17 -12.070 -7.813 -0.073 95 H ASP 18 H ASP 18 -16.414 -3.810 0.136 96 HA ASP 18 HA ASP 18 -17.869 -5.357 1.948 97 1HB ASP 18 2HB ASP 18 -18.640 -3.385 0.483 98 2HB ASP 18 1HB ASP 18 -18.837 -4.543 -0.814 99 H LEU 19 H LEU 19 -17.185 -7.280 2.145 100 HA LEU 19 HA LEU 19 -16.884 -9.358 0.274 101 1HB LEU 19 2HB LEU 19 -16.077 -8.990 2.743 102 2HB LEU 19 1HB LEU 19 -17.674 -9.500 3.191 103 HG LEU 19 HG LEU 19 -17.337 -11.716 2.147 104 1HD1 LEU 19 1HD1 LEU 19 -15.630 -10.947 0.467 105 2HD1 LEU 19 2HD1 LEU 19 -15.024 -12.279 1.437 106 3HD1 LEU 19 3HD1 LEU 19 -14.515 -10.628 1.785 107 1HD2 LEU 19 1HD2 LEU 19 -16.924 -11.259 4.522 108 2HD2 LEU 19 2HD2 LEU 19 -15.265 -10.816 4.177 109 3HD2 LEU 19 3HD2 LEU 19 -15.807 -12.474 3.943 110 H LYS 20 H LYS 20 -18.373 -11.461 0.731 111 HA LYS 20 HA LYS 20 -21.042 -10.716 -0.137 112 1HB LYS 20 2HB LYS 20 -21.430 -13.160 -0.153 113 2HB LYS 20 1HB LYS 20 -19.910 -12.784 -0.940 114 1HG LYS 20 2HG LYS 20 -18.676 -13.404 1.158 115 2HG LYS 20 1HG LYS 20 -20.193 -13.856 1.907 116 1HD LYS 20 2HD LYS 20 -19.038 -15.151 -0.585 117 2HD LYS 20 1HD LYS 20 -19.013 -15.836 1.025 118 1HE LYS 20 2HE LYS 20 -21.537 -15.239 -0.598 119 2HE LYS 20 1HE LYS 20 -20.859 -16.821 -0.269 120 1HZ LYS 20 1HZ LYS 20 -22.525 -16.551 1.292 121 2HZ LYS 20 2HZ LYS 20 -22.091 -14.945 1.636 122 3HZ LYS 20 3HZ LYS 20 -21.098 -16.220 2.155 123 H ILE 21 H ILE 21 -19.576 -12.127 2.764 124 HA ILE 21 HA ILE 21 -21.604 -10.966 4.525 125 HB ILE 21 HB ILE 21 -20.864 -13.922 4.384 126 1HG1 ILE 21 2HG1 ILE 21 -23.559 -12.561 3.889 127 2HG1 ILE 21 1HG1 ILE 21 -22.549 -13.308 2.668 128 1HG2 ILE 21 1HG2 ILE 21 -22.427 -14.175 6.335 129 2HG2 ILE 21 2HG2 ILE 21 -22.651 -12.427 6.346 130 3HG2 ILE 21 3HG2 ILE 21 -21.078 -13.126 6.711 131 1HD1 ILE 21 1HD1 ILE 21 -23.857 -14.809 4.965 132 2HD1 ILE 21 2HD1 ILE 21 -22.820 -15.518 3.738 133 3HD1 ILE 21 3HD1 ILE 21 -24.368 -14.822 3.291 134 H GLY 22 H GLY 22 -20.328 -9.894 5.980 135 1HA GLY 22 2HA GLY 22 -18.798 -9.723 7.744 136 2HA GLY 22 1HA GLY 22 -18.037 -11.184 7.165 137 H TYR 23 H TYR 23 -18.809 -8.169 5.725 138 HA TYR 23 HA TYR 23 -16.986 -7.554 3.865 139 1HB TYR 23 2HB TYR 23 -17.720 -5.512 5.936 140 2HB TYR 23 1HB TYR 23 -17.345 -5.239 4.253 141 HD1 TYR 23 1HD TYR 23 -19.901 -4.704 6.043 142 HD2 TYR 23 2HD TYR 23 -19.005 -7.517 2.994 143 HE1 TYR 23 1HE TYR 23 -22.289 -4.891 5.514 144 HE2 TYR 23 2HE TYR 23 -21.391 -7.703 2.462 145 HH TYR 23 HH TYR 23 -23.825 -6.419 4.487 146 H GLU 24 H GLU 24 -15.128 -6.249 3.613 147 HA GLU 24 HA GLU 24 -13.142 -6.629 5.767 148 1HB GLU 24 2HB GLU 24 -12.771 -6.201 2.835 149 2HB GLU 24 1HB GLU 24 -11.535 -6.593 3.983 150 1HG GLU 24 2HG GLU 24 -13.867 -8.366 3.208 151 2HG GLU 24 1HG GLU 24 -12.206 -8.578 2.689 152 H CYS 25 H CYS 25 -11.548 -5.189 6.002 153 HA CYS 25 HA CYS 25 -12.037 -2.400 5.347 154 1HB CYS 25 2HB CYS 25 -12.550 -2.762 7.753 155 2HB CYS 25 1HB CYS 25 -11.005 -3.557 7.978 156 H LEU 26 H LEU 26 -10.595 -2.972 3.522 157 HA LEU 26 HA LEU 26 -7.864 -3.805 4.093 158 1HB LEU 26 2HB LEU 26 -8.810 -2.568 1.493 159 2HB LEU 26 1HB LEU 26 -7.555 -3.721 1.775 160 HG LEU 26 HG LEU 26 -10.476 -4.373 2.116 161 1HD1 LEU 26 1HD1 LEU 26 -8.515 -5.221 -0.052 162 2HD1 LEU 26 2HD1 LEU 26 -9.888 -4.143 -0.257 163 3HD1 LEU 26 3HD1 LEU 26 -10.138 -5.834 0.120 164 1HD2 LEU 26 1HD2 LEU 26 -8.074 -6.212 2.356 165 2HD2 LEU 26 2HD2 LEU 26 -9.760 -6.712 2.394 166 3HD2 LEU 26 3HD2 LEU 26 -9.120 -5.700 3.675 167 H CYS 27 H CYS 27 -6.299 -2.287 2.623 168 HA CYS 27 HA CYS 27 -6.207 0.266 4.086 169 1HB CYS 27 2HB CYS 27 -4.172 -1.208 2.428 170 2HB CYS 27 1HB CYS 27 -3.866 0.240 3.348 171 HA PRO 28 HA PRO 28 -7.561 2.441 0.387 172 1HB PRO 28 2HB PRO 28 -6.971 4.958 1.205 173 2HB PRO 28 1HB PRO 28 -8.298 4.024 1.809 174 1HG PRO 28 2HG PRO 28 -5.667 4.515 3.087 175 2HG PRO 28 1HG PRO 28 -7.282 4.494 3.803 176 1HD PRO 28 2HD PRO 28 -5.537 2.412 3.958 177 2HD PRO 28 1HD PRO 28 -7.299 2.236 4.038 178 H ASP 29 H ASP 29 -4.662 3.592 1.825 179 HA ASP 29 HA ASP 29 -3.473 4.598 -0.626 180 1HB ASP 29 2HB ASP 29 -1.612 5.210 0.913 181 2HB ASP 29 1HB ASP 29 -3.167 5.713 1.542 182 H GLY 30 H GLY 30 -0.958 4.147 -0.619 183 1HA GLY 30 2HA GLY 30 -0.453 1.869 -2.043 184 2HA GLY 30 1HA GLY 30 0.789 2.765 -1.203 185 H PHE 31 H PHE 31 0.100 2.207 1.460 186 HA PHE 31 HA PHE 31 1.367 -0.286 1.843 187 1HB PHE 31 2HB PHE 31 -0.470 1.240 3.753 188 2HB PHE 31 1HB PHE 31 0.789 0.121 4.200 189 HD1 PHE 31 1HD PHE 31 0.398 3.589 4.085 190 HD2 PHE 31 2HD PHE 31 2.972 0.567 2.622 191 HE1 PHE 31 1HE PHE 31 2.184 5.242 3.770 192 HE2 PHE 31 2HE PHE 31 4.764 2.198 2.304 193 HZ PHE 31 HZ PHE 31 4.391 4.527 2.872 194 H GLN 32 H GLN 32 0.655 -2.077 2.902 195 HA GLN 32 HA GLN 32 -2.023 -3.040 1.956 196 1HB GLN 32 2HB GLN 32 -0.086 -4.072 0.822 197 2HB GLN 32 1HB GLN 32 0.564 -4.580 2.368 198 1HG GLN 32 2HG GLN 32 -1.421 -6.045 2.737 199 2HG GLN 32 1HG GLN 32 -2.115 -5.499 1.216 200 1HE2 GLN 32 1HE2 GLN 32 -1.193 -6.330 -0.752 201 2HE2 GLN 32 2HE2 GLN 32 -0.052 -7.586 -0.757 202 H LEU 33 H LEU 33 -3.153 -4.512 3.191 203 HA LEU 33 HA LEU 33 -3.060 -3.999 6.058 204 1HB LEU 33 2HB LEU 33 -5.137 -4.467 4.434 205 2HB LEU 33 1HB LEU 33 -4.728 -6.148 4.662 206 HG LEU 33 HG LEU 33 -4.852 -5.688 7.196 207 1HD1 LEU 33 1HD1 LEU 33 -6.184 -3.644 7.815 208 2HD1 LEU 33 2HD1 LEU 33 -6.184 -3.154 6.141 209 3HD1 LEU 33 3HD1 LEU 33 -4.680 -3.198 7.041 210 1HD2 LEU 33 1HD2 LEU 33 -7.410 -5.346 5.579 211 2HD2 LEU 33 2HD2 LEU 33 -7.332 -5.836 7.257 212 3HD2 LEU 33 3HD2 LEU 33 -6.671 -6.882 6.014 213 H VAL 34 H VAL 34 -1.573 -5.064 7.259 214 HA VAL 34 HA VAL 34 -0.697 -7.803 6.436 215 HB VAL 34 HB VAL 34 0.847 -5.651 7.949 216 1HG1 VAL 34 1HG1 VAL 34 2.784 -7.200 7.729 217 2HG1 VAL 34 2HG1 VAL 34 1.752 -8.407 6.983 218 3HG1 VAL 34 3HG1 VAL 34 1.515 -7.963 8.665 219 1HG2 VAL 34 1HG2 VAL 34 2.240 -5.584 5.889 220 2HG2 VAL 34 2HG2 VAL 34 0.579 -5.173 5.521 221 3HG2 VAL 34 3HG2 VAL 34 1.188 -6.769 5.130 222 H ALA 35 H ALA 35 -0.337 -6.099 9.507 223 HA ALA 35 HA ALA 35 -0.960 -8.475 10.964 224 1HB ALA 35 1HB ALA 35 -0.230 -5.681 11.937 225 2HB ALA 35 2HB ALA 35 0.872 -7.026 11.718 226 3HB ALA 35 3HB ALA 35 -0.365 -7.092 12.963 227 H GLN 36 H GLN 36 -3.031 -8.413 9.948 228 HA GLN 36 HA GLN 36 -5.334 -8.512 10.117 229 1HB GLN 36 2HB GLN 36 -4.954 -7.186 12.862 230 2HB GLN 36 1HB GLN 36 -6.401 -7.984 12.285 231 1HG GLN 36 2HG GLN 36 -5.211 -10.136 12.089 232 2HG GLN 36 1HG GLN 36 -3.718 -9.378 12.630 233 1HE2 GLN 36 1HE2 GLN 36 -6.696 -10.785 13.690 234 2HE2 GLN 36 2HE2 GLN 36 -6.488 -10.488 15.349 235 H ARG 37 H ARG 37 -4.731 -5.460 11.816 236 HA ARG 37 HA ARG 37 -6.304 -4.007 9.733 237 1HB ARG 37 2HB ARG 37 -6.164 -3.470 12.721 238 2HB ARG 37 1HB ARG 37 -6.914 -2.386 11.578 239 1HG ARG 37 2HG ARG 37 -8.647 -3.666 12.671 240 2HG ARG 37 1HG ARG 37 -8.577 -4.141 10.992 241 1HD ARG 37 2HD ARG 37 -7.439 -6.218 11.564 242 2HD ARG 37 1HD ARG 37 -7.313 -5.758 13.257 243 HE ARG 37 HE ARG 37 -9.668 -6.751 11.822 244 1HH1 ARG 37 2HH1 ARG 37 -8.511 -5.000 14.585 245 2HH1 ARG 37 1HH1 ARG 37 -9.937 -5.310 15.515 246 1HH2 ARG 37 1HH2 ARG 37 -11.476 -7.152 12.984 247 2HH2 ARG 37 2HH2 ARG 37 -11.641 -6.546 14.596 248 H ARG 38 H ARG 38 -3.257 -4.456 10.595 249 HA ARG 38 HA ARG 38 -2.347 -1.655 10.776 250 1HB ARG 38 2HB ARG 38 -1.297 -3.458 12.121 251 2HB ARG 38 1HB ARG 38 -0.799 -4.241 10.632 252 1HG ARG 38 2HG ARG 38 0.595 -2.264 10.023 253 2HG ARG 38 1HG ARG 38 0.097 -1.460 11.501 254 1HD ARG 38 2HD ARG 38 1.613 -4.102 11.360 255 2HD ARG 38 1HD ARG 38 2.317 -2.547 11.796 256 HE ARG 38 HE ARG 38 0.252 -2.776 13.584 257 1HH1 ARG 38 2HH1 ARG 38 2.845 -4.878 12.641 258 2HH1 ARG 38 1HH1 ARG 38 2.938 -5.641 14.192 259 1HH2 ARG 38 1HH2 ARG 38 0.355 -3.726 15.550 260 2HH2 ARG 38 2HH2 ARG 38 1.508 -4.978 15.866 261 H CYS 39 H CYS 39 -2.134 -0.475 8.983 262 HA CYS 39 HA CYS 39 -1.629 -1.793 6.388 263 1HB CYS 39 2HB CYS 39 -2.420 1.021 7.073 264 2HB CYS 39 1HB CYS 39 -2.138 0.454 5.446 265 H GLU 40 H GLU 40 0.402 -2.155 5.904 266 HA GLU 40 HA GLU 40 2.291 0.098 5.677 267 1HB GLU 40 2HB GLU 40 2.732 -0.924 7.974 268 2HB GLU 40 1HB GLU 40 3.060 -2.445 7.178 269 1HG GLU 40 2HG GLU 40 4.944 -1.488 5.921 270 2HG GLU 40 1HG GLU 40 4.598 0.119 6.498 271 H ASP 41 H ASP 41 4.030 -0.391 4.288 272 HA ASP 41 HA ASP 41 3.355 -2.162 2.088 273 1HB ASP 41 2HB ASP 41 4.458 0.009 1.623 274 2HB ASP 41 1HB ASP 41 5.772 -0.398 2.691 275 H ILE 42 H ILE 42 5.127 -3.577 1.215 276 HA ILE 42 HA ILE 42 5.656 -5.696 2.968 277 HB ILE 42 HB ILE 42 6.960 -4.938 0.303 278 1HG1 ILE 42 2HG1 ILE 42 5.555 -6.765 -0.684 279 2HG1 ILE 42 1HG1 ILE 42 4.802 -7.019 0.872 280 1HG2 ILE 42 1HG2 ILE 42 7.173 -7.602 1.761 281 2HG2 ILE 42 2HG2 ILE 42 8.487 -6.468 1.496 282 3HG2 ILE 42 3HG2 ILE 42 7.755 -7.286 0.135 283 1HD1 ILE 42 1HD1 ILE 42 4.595 -4.473 -0.772 284 2HD1 ILE 42 2HD1 ILE 42 3.789 -4.744 0.769 285 3HD1 ILE 42 3HD1 ILE 42 3.355 -5.706 -0.618 286 H ASP 43 H ASP 43 7.902 -6.400 3.735 287 HA ASP 43 HA ASP 43 9.465 -3.995 4.584 288 1HB ASP 43 2HB ASP 43 8.606 -5.697 6.267 289 2HB ASP 43 1HB ASP 43 9.706 -6.868 5.560 290 H GLU 44 H GLU 44 10.995 -3.429 3.300 291 HA GLU 44 HA GLU 44 12.242 -5.136 1.376 292 1HB GLU 44 2HB GLU 44 13.183 -2.447 2.433 293 2HB GLU 44 1HB GLU 44 13.694 -3.215 0.954 294 1HG GLU 44 2HG GLU 44 12.160 -1.496 0.461 295 2HG GLU 44 1HG GLU 44 11.422 -3.029 0.033 296 H CYS 45 H CYS 45 13.039 -4.150 4.648 297 HA CYS 45 HA CYS 45 15.775 -4.732 4.609 298 1HB CYS 45 2HB CYS 45 13.871 -4.939 6.979 299 2HB CYS 45 1HB CYS 45 15.587 -4.830 7.026 300 H GLN 46 H GLN 46 13.249 -6.547 5.992 301 HA GLN 46 HA GLN 46 14.415 -8.898 6.766 302 1HB GLN 46 2HB GLN 46 11.705 -8.495 5.437 303 2HB GLN 46 1HB GLN 46 12.150 -9.941 6.311 304 1HG GLN 46 2HG GLN 46 12.128 -7.146 7.523 305 2HG GLN 46 1HG GLN 46 10.854 -8.333 7.753 306 1HE2 GLN 46 1HE2 GLN 46 11.654 -10.482 8.750 307 2HE2 GLN 46 2HE2 GLN 46 12.887 -10.385 9.911 308 H ASP 47 H ASP 47 13.284 -8.153 3.522 309 HA ASP 47 HA ASP 47 14.174 -10.644 2.449 310 1HB ASP 47 2HB ASP 47 12.209 -9.435 1.502 311 2HB ASP 47 1HB ASP 47 13.258 -8.109 1.028 312 HA PRO 48 HA PRO 48 18.294 -8.873 1.859 313 1HB PRO 48 2HB PRO 48 19.585 -11.046 0.970 314 2HB PRO 48 1HB PRO 48 18.944 -11.001 2.594 315 1HG PRO 48 2HG PRO 48 17.763 -12.305 0.174 316 2HG PRO 48 1HG PRO 48 17.893 -12.921 1.829 317 1HD PRO 48 2HD PRO 48 15.625 -11.752 0.764 318 2HD PRO 48 1HD PRO 48 15.993 -11.868 2.496 319 H ASP 49 H ASP 49 17.088 -7.548 0.139 320 HA ASP 49 HA ASP 49 18.439 -8.001 -2.452 321 1HB ASP 49 2HB ASP 49 16.197 -9.006 -2.682 322 2HB ASP 49 1HB ASP 49 15.482 -7.510 -2.093 323 H THR 50 H THR 50 16.554 -5.827 -0.432 324 HA THR 50 HA THR 50 16.986 -3.471 -2.000 325 HB THR 50 HB THR 50 15.191 -3.694 -0.303 326 HG1 THR 50 1HG THR 50 17.117 -1.680 0.234 327 1HG2 THR 50 1HG2 THR 50 15.579 -3.288 2.082 328 2HG2 THR 50 2HG2 THR 50 17.292 -3.189 1.869 329 3HG2 THR 50 3HG2 THR 50 16.491 -4.728 1.645 330 H CYS 51 H CYS 51 18.450 -4.207 1.140 331 HA CYS 51 HA CYS 51 20.860 -2.637 0.357 332 1HB CYS 51 2HB CYS 51 19.979 -3.602 3.063 333 2HB CYS 51 1HB CYS 51 21.123 -2.349 2.681 334 H SER 52 H SER 52 22.984 -3.706 0.899 335 HA SER 52 HA SER 52 22.956 -6.509 0.235 336 1HB SER 52 2HB SER 52 24.919 -5.019 -0.281 337 2HB SER 52 1HB SER 52 25.232 -4.871 1.460 338 HG SER 52 HG SER 52 24.933 -7.373 0.192 339 H GLN 53 H GLN 53 23.221 -4.693 3.208 340 HA GLN 53 HA GLN 53 22.783 -7.186 4.782 341 1HB GLN 53 2HB GLN 53 24.782 -4.982 5.412 342 2HB GLN 53 1HB GLN 53 24.349 -6.272 6.515 343 1HG GLN 53 2HG GLN 53 25.554 -6.667 3.756 344 2HG GLN 53 1HG GLN 53 26.471 -6.727 5.255 345 1HE2 GLN 53 1HE2 GLN 53 25.034 -8.287 6.940 346 2HE2 GLN 53 2HE2 GLN 53 24.720 -9.815 6.272 347 H LEU 54 H LEU 54 23.338 -3.961 6.153 348 HA LEU 54 HA LEU 54 20.915 -4.184 7.638 349 1HB LEU 54 2HB LEU 54 22.726 -1.855 7.203 350 2HB LEU 54 1HB LEU 54 21.385 -1.881 8.326 351 HG LEU 54 HG LEU 54 23.945 -3.483 8.483 352 1HD1 LEU 54 1HD1 LEU 54 22.505 -1.447 10.210 353 2HD1 LEU 54 2HD1 LEU 54 23.888 -1.098 9.188 354 3HD1 LEU 54 3HD1 LEU 54 24.070 -2.163 10.587 355 1HD2 LEU 54 1HD2 LEU 54 23.013 -4.429 10.553 356 2HD2 LEU 54 2HD2 LEU 54 21.986 -4.895 9.207 357 3HD2 LEU 54 3HD2 LEU 54 21.488 -3.587 10.279 358 H CYS 55 H CYS 55 19.441 -2.817 7.925 359 HA CYS 55 HA CYS 55 18.501 -0.893 5.942 360 1HB CYS 55 2HB CYS 55 17.950 -2.931 4.737 361 2HB CYS 55 1HB CYS 55 17.200 -3.649 6.083 362 H VAL 56 H VAL 56 16.202 -0.254 6.391 363 HA VAL 56 HA VAL 56 15.254 -0.494 9.179 364 HB VAL 56 HB VAL 56 16.004 2.232 7.966 365 1HG1 VAL 56 1HG1 VAL 56 13.998 2.340 9.435 366 2HG1 VAL 56 2HG1 VAL 56 15.359 3.148 10.187 367 3HG1 VAL 56 3HG1 VAL 56 14.888 1.543 10.720 368 1HG2 VAL 56 1HG2 VAL 56 17.311 0.772 10.296 369 2HG2 VAL 56 2HG2 VAL 56 17.696 2.401 9.764 370 3HG2 VAL 56 3HG2 VAL 56 18.037 1.042 8.717 371 H ASN 57 H ASN 57 13.383 -1.365 8.345 372 HA ASN 57 HA ASN 57 11.878 -0.085 6.195 373 1HB ASN 57 2HB ASN 57 12.041 -2.508 6.286 374 2HB ASN 57 1HB ASN 57 11.282 -2.512 7.873 375 1HD2 ASN 57 1HD2 ASN 57 9.177 -3.213 7.716 376 2HD2 ASN 57 2HD2 ASN 57 8.100 -2.807 6.470 377 H LEU 58 H LEU 58 9.746 0.253 6.217 378 HA LEU 58 HA LEU 58 7.802 0.607 8.185 379 1HB LEU 58 2HB LEU 58 7.809 3.013 8.672 380 2HB LEU 58 1HB LEU 58 9.305 2.341 9.216 381 HG LEU 58 HG LEU 58 9.078 3.739 6.526 382 1HD1 LEU 58 1HD1 LEU 58 10.081 5.716 7.729 383 2HD1 LEU 58 2HD1 LEU 58 10.017 4.837 9.248 384 3HD1 LEU 58 3HD1 LEU 58 8.530 5.315 8.446 385 1HD2 LEU 58 1HD2 LEU 58 11.500 3.974 6.801 386 2HD2 LEU 58 2HD2 LEU 58 11.034 2.296 6.772 387 3HD2 LEU 58 3HD2 LEU 58 11.436 3.073 8.300 388 H GLU 59 H GLU 59 6.746 3.016 7.247 389 HA GLU 59 HA GLU 59 5.567 2.132 4.768 390 1HB GLU 59 2HB GLU 59 5.118 4.423 6.667 391 2HB GLU 59 1HB GLU 59 4.392 4.597 5.121 392 1HG GLU 59 2HG GLU 59 2.662 3.625 6.476 393 2HG GLU 59 1HG GLU 59 3.286 2.280 5.583 394 H GLY 60 H GLY 60 6.924 2.035 3.314 395 1HA GLY 60 2HA GLY 60 8.083 2.568 1.431 396 2HA GLY 60 1HA GLY 60 7.118 4.027 1.424 397 H GLY 61 H GLY 61 8.502 4.383 4.197 398 1HA GLY 61 2HA GLY 61 10.665 6.115 3.196 399 2HA GLY 61 1HA GLY 61 10.062 6.038 4.852 400 H TYR 62 H TYR 62 10.774 3.065 3.494 401 HA TYR 62 HA TYR 62 12.709 2.406 5.432 402 1HB TYR 62 2HB TYR 62 13.082 0.323 4.207 403 2HB TYR 62 1HB TYR 62 11.389 0.747 4.013 404 HD1 TYR 62 1HD TYR 62 10.666 1.918 1.815 405 HD2 TYR 62 2HD TYR 62 14.526 0.202 2.365 406 HE1 TYR 62 1HE TYR 62 11.038 1.942 -0.606 407 HE2 TYR 62 2HE TYR 62 14.895 0.227 -0.042 408 HH TYR 62 HH TYR 62 13.009 1.983 -2.171 409 H LYS 63 H LYS 63 14.939 2.391 5.541 410 HA LYS 63 HA LYS 63 16.463 3.398 3.220 411 1HB LYS 63 2HB LYS 63 16.673 4.219 6.081 412 2HB LYS 63 1HB LYS 63 17.759 4.694 4.830 413 1HG LYS 63 2HG LYS 63 15.846 5.777 3.577 414 2HG LYS 63 1HG LYS 63 14.787 5.360 4.902 415 1HD LYS 63 2HD LYS 63 17.147 7.255 5.119 416 2HD LYS 63 1HD LYS 63 15.478 7.742 4.963 417 1HE LYS 63 2HE LYS 63 16.116 7.910 7.312 418 2HE LYS 63 1HE LYS 63 14.967 6.593 7.145 419 1HZ LYS 63 1HZ LYS 63 16.468 5.092 7.751 420 2HZ LYS 63 2HZ LYS 63 17.299 6.419 8.411 421 3HZ LYS 63 3HZ LYS 63 17.733 5.823 6.883 422 H CYS 64 H CYS 64 18.672 2.993 3.374 423 HA CYS 64 HA CYS 64 19.330 0.395 4.608 424 1HB CYS 64 2HB CYS 64 20.666 1.961 2.426 425 2HB CYS 64 1HB CYS 64 21.244 0.463 3.050 426 H GLN 65 H GLN 65 21.444 0.018 5.262 427 HA GLN 65 HA GLN 65 23.140 2.204 6.330 428 1HB GLN 65 2HB GLN 65 22.279 -0.073 8.153 429 2HB GLN 65 1HB GLN 65 23.178 1.341 8.565 430 1HG GLN 65 2HG GLN 65 21.266 2.820 8.255 431 2HG GLN 65 1HG GLN 65 20.260 1.470 7.737 432 1HE2 GLN 65 1HE2 GLN 65 20.172 -0.415 9.393 433 2HE2 GLN 65 2HE2 GLN 65 20.072 0.025 11.030 434 H CYS 66 H CYS 66 24.939 0.585 7.633 435 HA CYS 66 HA CYS 66 25.659 -1.510 5.660 436 1HB CYS 66 2HB CYS 66 27.583 0.331 7.011 437 2HB CYS 66 1HB CYS 66 27.860 -0.817 5.842 438 H GLU 67 H GLU 67 26.880 -3.127 6.348 439 HA GLU 67 HA GLU 67 26.565 -3.897 9.186 440 1HB GLU 67 2HB GLU 67 26.087 -5.437 7.226 441 2HB GLU 67 1HB GLU 67 27.794 -5.479 6.867 442 1HG GLU 67 2HG GLU 67 26.467 -6.461 9.440 443 2HG GLU 67 1HG GLU 67 27.068 -7.482 8.156 444 H GLU 68 H GLU 68 27.971 -2.172 9.828 445 HA GLU 68 HA GLU 68 29.960 -1.212 10.517 446 1HB GLU 68 2HB GLU 68 30.748 -4.160 10.616 447 2HB GLU 68 1HB GLU 68 31.590 -2.878 11.452 448 1HG GLU 68 2HG GLU 68 28.678 -3.727 11.877 449 2HG GLU 68 1HG GLU 68 30.011 -4.045 12.968 450 H GLY 69 H GLY 69 31.534 -3.885 8.916 451 1HA GLY 69 2HA GLY 69 33.684 -2.435 7.875 452 2HA GLY 69 1HA GLY 69 33.213 -4.043 7.348 453 H PHE 70 H PHE 70 30.486 -2.918 6.598 454 HA PHE 70 HA PHE 70 31.163 -2.361 3.906 455 1HB PHE 70 2HB PHE 70 28.602 -2.469 5.455 456 2HB PHE 70 1HB PHE 70 28.581 -2.004 3.762 457 HD1 PHE 70 1HD PHE 70 30.743 -4.685 5.262 458 HD2 PHE 70 2HD PHE 70 27.255 -3.803 2.982 459 HE1 PHE 70 1HE PHE 70 30.525 -7.049 4.697 460 HE2 PHE 70 2HE PHE 70 27.055 -6.171 2.413 461 HZ PHE 70 HZ PHE 70 28.677 -7.803 3.261 462 H GLN 71 H GLN 71 30.446 -0.472 2.721 463 HA GLN 71 HA GLN 71 30.273 1.993 4.309 464 1HB GLN 71 2HB GLN 71 32.113 1.222 2.071 465 2HB GLN 71 1HB GLN 71 31.626 2.874 2.157 466 1HG GLN 71 2HG GLN 71 32.895 1.332 4.476 467 2HG GLN 71 1HG GLN 71 33.759 2.467 3.439 468 1HE2 GLN 71 1HE2 GLN 71 33.570 3.004 6.193 469 2HE2 GLN 71 2HE2 GLN 71 32.546 4.334 6.450 470 H LEU 72 H LEU 72 29.837 3.827 2.972 471 HA LEU 72 HA LEU 72 27.249 3.309 1.655 472 1HB LEU 72 2HB LEU 72 27.534 5.222 3.223 473 2HB LEU 72 1HB LEU 72 28.677 5.953 2.115 474 HG LEU 72 HG LEU 72 26.862 5.878 0.321 475 1HD1 LEU 72 1HD1 LEU 72 24.514 5.615 1.037 476 2HD1 LEU 72 2HD1 LEU 72 25.044 5.158 2.646 477 3HD1 LEU 72 3HD1 LEU 72 25.406 4.129 1.272 478 1HD2 LEU 72 1HD2 LEU 72 25.620 7.837 1.235 479 2HD2 LEU 72 2HD2 LEU 72 27.337 7.959 1.591 480 3HD2 LEU 72 3HD2 LEU 72 26.212 7.460 2.848 481 H ASP 73 H ASP 73 27.567 2.433 -0.275 482 HA ASP 73 HA ASP 73 29.580 3.296 -2.177 483 1HB ASP 73 2HB ASP 73 28.649 0.983 -2.228 484 2HB ASP 73 1HB ASP 73 27.066 1.619 -2.642 485 HA PRO 74 HA PRO 74 27.099 6.801 -3.531 486 1HB PRO 74 2HB PRO 74 28.710 7.748 -5.466 487 2HB PRO 74 1HB PRO 74 29.168 7.848 -3.783 488 1HG PRO 74 2HG PRO 74 30.009 5.806 -5.806 489 2HG PRO 74 1HG PRO 74 31.000 6.709 -4.646 490 1HD PRO 74 2HD PRO 74 30.173 4.171 -4.198 491 2HD PRO 74 1HD PRO 74 30.432 5.340 -2.889 492 H HIS 75 H HIS 75 26.149 7.620 -5.503 493 HA HIS 75 HA HIS 75 24.807 7.429 -7.390 494 1HB HIS 75 2HB HIS 75 26.711 5.160 -8.152 495 2HB HIS 75 1HB HIS 75 25.606 5.993 -9.230 496 HD1 HIS 75 1HD HIS 75 28.733 6.611 -7.328 497 HD2 HIS 75 2HD HIS 75 26.443 8.544 -10.101 498 HE1 HIS 75 1HE HIS 75 30.053 8.555 -8.085 499 H THR 76 H THR 76 24.902 5.250 -5.070 500 HA THR 76 HA THR 76 22.489 3.775 -5.998 501 HB THR 76 HB THR 76 23.411 1.711 -4.843 502 HG1 THR 76 1HG THR 76 25.735 3.315 -4.734 503 1HG2 THR 76 1HG2 THR 76 25.206 1.159 -6.501 504 2HG2 THR 76 2HG2 THR 76 25.433 2.859 -6.876 505 3HG2 THR 76 3HG2 THR 76 23.957 2.043 -7.362 506 H LYS 77 H LYS 77 24.527 4.804 -3.472 507 HA LYS 77 HA LYS 77 24.182 5.621 -1.312 508 1HB LYS 77 2HB LYS 77 21.351 5.358 -1.993 509 2HB LYS 77 1HB LYS 77 21.927 6.198 -0.580 510 1HG LYS 77 2HG LYS 77 23.205 7.764 -2.074 511 2HG LYS 77 1HG LYS 77 22.528 6.961 -3.481 512 1HD LYS 77 2HD LYS 77 20.230 7.553 -2.727 513 2HD LYS 77 1HD LYS 77 20.897 8.358 -1.317 514 1HE LYS 77 2HE LYS 77 21.457 9.138 -4.215 515 2HE LYS 77 1HE LYS 77 20.388 9.997 -3.117 516 1HZ LYS 77 1HZ LYS 77 22.350 11.154 -2.977 517 2HZ LYS 77 2HZ LYS 77 23.317 9.758 -3.025 518 3HZ LYS 77 3HZ LYS 77 22.437 10.133 -1.622 519 H ALA 78 H ALA 78 23.814 2.681 -2.332 520 HA ALA 78 HA ALA 78 22.559 1.405 0.020 521 1HB ALA 78 1HB ALA 78 22.113 0.519 -2.274 522 2HB ALA 78 2HB ALA 78 22.933 -0.687 -1.297 523 3HB ALA 78 3HB ALA 78 23.833 0.231 -2.496 524 H CYS 79 H CYS 79 24.041 -0.750 0.507 525 HA CYS 79 HA CYS 79 26.803 0.209 1.042 526 1HB CYS 79 2HB CYS 79 24.987 -1.217 2.964 527 2HB CYS 79 1HB CYS 79 26.684 -1.005 3.236 528 H LYS 80 H LYS 80 28.388 -1.205 1.324 529 HA LYS 80 HA LYS 80 28.024 -4.084 1.025 530 1HB LYS 80 2HB LYS 80 29.376 -4.335 -0.784 531 2HB LYS 80 1HB LYS 80 27.913 -3.497 -1.317 532 1HG LYS 80 2HG LYS 80 29.248 -1.289 -1.119 533 2HG LYS 80 1HG LYS 80 30.696 -2.255 -0.891 534 1HD LYS 80 2HD LYS 80 30.313 -3.339 -3.104 535 2HD LYS 80 1HD LYS 80 28.905 -2.314 -3.344 536 1HE LYS 80 2HE LYS 80 30.386 -0.294 -3.060 537 2HE LYS 80 1HE LYS 80 31.769 -1.364 -2.942 538 1HZ LYS 80 1HZ LYS 80 30.901 -2.281 -5.165 539 2HZ LYS 80 2HZ LYS 80 31.770 -0.822 -5.138 540 3HZ LYS 80 3HZ LYS 80 30.078 -0.798 -5.263 541 H ALA 81 H ALA 81 30.143 -5.194 1.258 542 HA ALA 81 HA ALA 81 31.838 -4.252 3.265 543 1HB ALA 81 1HB ALA 81 32.558 -6.132 0.989 544 2HB ALA 81 2HB ALA 81 31.798 -6.601 2.500 545 3HB ALA 81 3HB ALA 81 33.442 -5.988 2.500 546 H VAL 82 H VAL 82 33.173 -2.595 3.384 547 HA VAL 82 HA VAL 82 33.873 -0.802 1.434 548 HB VAL 82 HB VAL 82 34.260 -0.462 3.851 549 1HG1 VAL 82 1HG1 VAL 82 36.241 -1.474 4.979 550 2HG1 VAL 82 2HG1 VAL 82 36.631 -2.376 3.527 551 3HG1 VAL 82 3HG1 VAL 82 35.168 -2.739 4.413 552 1HG2 VAL 82 1HG2 VAL 82 35.479 1.011 2.297 553 2HG2 VAL 82 2HG2 VAL 82 36.819 -0.121 2.235 554 3HG2 VAL 82 3HG2 VAL 82 36.440 0.707 3.733 Start of MODEL 8 1 H GLY 1 H GLY 1 -23.819 6.893 0.180 2 1HA GLY 1 2HA GLY 1 -25.233 4.685 0.549 3 2HA GLY 1 1HA GLY 1 -23.498 4.607 0.848 4 H THR 2 H THR 2 -24.433 2.804 2.220 5 HA THR 2 HA THR 2 -25.878 3.194 4.561 6 HB THR 2 HB THR 2 -25.499 0.990 3.651 7 HG1 THR 2 1HG THR 2 -24.829 0.002 5.607 8 1HG2 THR 2 1HG2 THR 2 -23.081 1.374 2.914 9 2HG2 THR 2 2HG2 THR 2 -23.254 -0.080 3.883 10 3HG2 THR 2 3HG2 THR 2 -22.618 1.391 4.609 11 H ASN 3 H ASN 3 -25.034 2.770 6.746 12 HA ASN 3 HA ASN 3 -22.822 4.653 7.336 13 1HB ASN 3 2HB ASN 3 -25.135 4.952 8.384 14 2HB ASN 3 1HB ASN 3 -24.936 3.407 9.185 15 1HD2 ASN 3 1HD2 ASN 3 -23.914 3.416 11.209 16 2HD2 ASN 3 2HD2 ASN 3 -23.109 4.757 11.870 17 H GLU 4 H GLU 4 -22.341 2.085 6.404 18 HA GLU 4 HA GLU 4 -21.051 0.617 8.615 19 1HB GLU 4 2HB GLU 4 -21.238 0.119 5.607 20 2HB GLU 4 1HB GLU 4 -20.517 -0.974 6.760 21 1HG GLU 4 2HG GLU 4 -22.633 -1.298 7.914 22 2HG GLU 4 1HG GLU 4 -23.410 -0.039 6.993 23 H CYS 5 H CYS 5 -20.403 2.553 5.771 24 HA CYS 5 HA CYS 5 -17.558 2.391 5.987 25 1HB CYS 5 2HB CYS 5 -19.363 4.150 4.319 26 2HB CYS 5 1HB CYS 5 -17.645 3.991 4.100 27 H LEU 6 H LEU 6 -20.108 4.666 6.510 28 HA LEU 6 HA LEU 6 -18.769 6.970 7.258 29 1HB LEU 6 2HB LEU 6 -21.394 5.887 8.263 30 2HB LEU 6 1HB LEU 6 -20.896 7.549 8.384 31 HG LEU 6 HG LEU 6 -21.339 5.971 5.791 32 1HD1 LEU 6 1HD1 LEU 6 -23.255 7.526 5.468 33 2HD1 LEU 6 2HD1 LEU 6 -22.903 8.284 7.014 34 3HD1 LEU 6 3HD1 LEU 6 -23.444 6.616 6.956 35 1HD2 LEU 6 1HD2 LEU 6 -19.549 7.706 5.476 36 2HD2 LEU 6 2HD2 LEU 6 -20.629 8.930 6.123 37 3HD2 LEU 6 3HD2 LEU 6 -21.001 8.136 4.603 38 H ASP 7 H ASP 7 -19.803 4.267 9.198 39 HA ASP 7 HA ASP 7 -18.604 5.366 11.708 40 1HB ASP 7 2HB ASP 7 -20.913 4.187 11.621 41 2HB ASP 7 1HB ASP 7 -20.029 2.735 11.171 42 H ASN 8 H ASN 8 -17.749 2.906 12.709 43 HA ASN 8 HA ASN 8 -15.123 2.699 11.840 44 1HB ASN 8 2HB ASN 8 -16.871 0.694 13.064 45 2HB ASN 8 1HB ASN 8 -15.127 0.528 13.044 46 1HD2 ASN 8 1HD2 ASN 8 -17.799 1.958 14.724 47 2HD2 ASN 8 2HD2 ASN 8 -16.897 2.897 15.813 48 H ASN 9 H ASN 9 -14.581 2.234 9.807 49 HA ASN 9 HA ASN 9 -15.980 1.352 7.662 50 1HB ASN 9 2HB ASN 9 -13.631 2.162 7.676 51 2HB ASN 9 1HB ASN 9 -13.111 0.586 8.260 52 1HD2 ASN 9 1HD2 ASN 9 -13.354 -1.264 6.816 53 2HD2 ASN 9 2HD2 ASN 9 -13.510 -1.033 5.150 54 H GLY 10 H GLY 10 -17.497 -0.195 8.316 55 1HA GLY 10 2HA GLY 10 -18.418 -2.315 8.430 56 2HA GLY 10 1HA GLY 10 -17.013 -2.820 7.505 57 H GLY 11 H GLY 11 -16.074 -1.374 10.332 58 1HA GLY 11 2HA GLY 11 -16.272 -2.667 12.590 59 2HA GLY 11 1HA GLY 11 -15.454 -3.944 11.684 60 H CYS 12 H CYS 12 -13.831 -2.228 10.097 61 HA CYS 12 HA CYS 12 -11.765 -1.469 12.070 62 1HB CYS 12 2HB CYS 12 -10.277 -1.700 10.227 63 2HB CYS 12 1HB CYS 12 -11.342 -3.083 10.214 64 H SER 13 H SER 13 -10.702 0.088 9.601 65 HA SER 13 HA SER 13 -12.394 2.399 9.319 66 1HB SER 13 2HB SER 13 -10.811 3.985 10.512 67 2HB SER 13 1HB SER 13 -11.466 2.785 11.635 68 HG SER 13 HG SER 13 -8.998 2.654 10.237 69 H HIS 14 H HIS 14 -11.183 0.540 7.628 70 HA HIS 14 HA HIS 14 -9.137 2.092 6.144 71 1HB HIS 14 2HB HIS 14 -9.876 -0.873 6.129 72 2HB HIS 14 1HB HIS 14 -8.593 -0.139 5.197 73 HD1 HIS 14 1HD HIS 14 -8.458 -2.194 7.745 74 HD2 HIS 14 2HD HIS 14 -7.259 1.708 7.654 75 HE1 HIS 14 1HE HIS 14 -6.827 -1.922 9.575 76 H VAL 15 H VAL 15 -10.357 -0.251 4.219 77 HA VAL 15 HA VAL 15 -12.282 1.572 2.870 78 HB VAL 15 HB VAL 15 -10.227 0.972 1.689 79 1HG1 VAL 15 1HG1 VAL 15 -9.827 -1.301 0.843 80 2HG1 VAL 15 2HG1 VAL 15 -11.151 -1.906 1.810 81 3HG1 VAL 15 3HG1 VAL 15 -9.745 -1.203 2.591 82 1HG2 VAL 15 1HG2 VAL 15 -12.328 1.372 0.339 83 2HG2 VAL 15 2HG2 VAL 15 -12.747 -0.326 0.481 84 3HG2 VAL 15 3HG2 VAL 15 -11.344 0.154 -0.455 85 H CYS 16 H CYS 16 -14.322 1.051 2.967 86 HA CYS 16 HA CYS 16 -15.230 -1.485 4.062 87 1HB CYS 16 2HB CYS 16 -17.434 -0.413 3.848 88 2HB CYS 16 1HB CYS 16 -16.313 0.602 4.702 89 H ASN 17 H ASN 17 -14.969 -3.197 2.660 90 HA ASN 17 HA ASN 17 -15.762 -2.829 -0.177 91 1HB ASN 17 2HB ASN 17 -13.635 -3.764 0.110 92 2HB ASN 17 1HB ASN 17 -14.084 -4.785 1.437 93 1HD2 ASN 17 1HD2 ASN 17 -13.854 -6.862 0.610 94 2HD2 ASN 17 2HD2 ASN 17 -14.470 -7.413 -0.866 95 H ASP 18 H ASP 18 -17.674 -2.429 0.582 96 HA ASP 18 HA ASP 18 -19.492 -3.816 2.140 97 1HB ASP 18 2HB ASP 18 -19.825 -1.531 1.215 98 2HB ASP 18 1HB ASP 18 -20.129 -2.217 -0.371 99 H LEU 19 H LEU 19 -19.365 -5.941 1.913 100 HA LEU 19 HA LEU 19 -19.781 -7.467 -0.433 101 1HB LEU 19 2HB LEU 19 -18.601 -7.980 1.864 102 2HB LEU 19 1HB LEU 19 -20.212 -8.224 2.461 103 HG LEU 19 HG LEU 19 -20.626 -10.082 0.923 104 1HD1 LEU 19 1HD1 LEU 19 -17.731 -9.560 0.155 105 2HD1 LEU 19 2HD1 LEU 19 -19.098 -9.254 -0.899 106 3HD1 LEU 19 3HD1 LEU 19 -18.712 -10.900 -0.434 107 1HD2 LEU 19 1HD2 LEU 19 -19.056 -11.630 2.046 108 2HD2 LEU 19 2HD2 LEU 19 -19.669 -10.430 3.160 109 3HD2 LEU 19 3HD2 LEU 19 -18.047 -10.269 2.526 110 H LYS 20 H LYS 20 -21.625 -9.186 -0.319 111 HA LYS 20 HA LYS 20 -24.146 -7.741 -0.389 112 1HB LYS 20 2HB LYS 20 -25.058 -9.938 -1.127 113 2HB LYS 20 1HB LYS 20 -23.596 -9.552 -2.013 114 1HG LYS 20 2HG LYS 20 -22.283 -11.051 -0.480 115 2HG LYS 20 1HG LYS 20 -23.773 -11.469 0.351 116 1HD LYS 20 2HD LYS 20 -24.725 -12.381 -1.736 117 2HD LYS 20 1HD LYS 20 -23.244 -11.980 -2.590 118 1HE LYS 20 2HE LYS 20 -23.233 -14.365 -1.891 119 2HE LYS 20 1HE LYS 20 -21.958 -13.481 -1.065 120 1HZ LYS 20 1HZ LYS 20 -24.615 -13.791 0.167 121 2HZ LYS 20 2HZ LYS 20 -23.121 -13.478 0.909 122 3HZ LYS 20 3HZ LYS 20 -23.450 -15.022 0.282 123 H ILE 21 H ILE 21 -22.631 -10.253 1.583 124 HA ILE 21 HA ILE 21 -24.198 -9.527 3.953 125 HB ILE 21 HB ILE 21 -23.954 -12.328 2.772 126 1HG1 ILE 21 2HG1 ILE 21 -26.446 -10.608 3.197 127 2HG1 ILE 21 1HG1 ILE 21 -25.719 -10.977 1.645 128 1HG2 ILE 21 1HG2 ILE 21 -25.232 -11.379 5.367 129 2HG2 ILE 21 2HG2 ILE 21 -23.755 -12.325 5.235 130 3HG2 ILE 21 3HG2 ILE 21 -25.285 -13.037 4.774 131 1HD1 ILE 21 1HD1 ILE 21 -26.933 -13.052 3.506 132 2HD1 ILE 21 2HD1 ILE 21 -26.173 -13.381 1.956 133 3HD1 ILE 21 3HD1 ILE 21 -27.648 -12.432 2.033 134 H GLY 22 H GLY 22 -22.551 -9.055 5.354 135 1HA GLY 22 2HA GLY 22 -20.827 -9.640 6.836 136 2HA GLY 22 1HA GLY 22 -20.410 -10.948 5.760 137 H TYR 23 H TYR 23 -20.788 -7.560 5.308 138 HA TYR 23 HA TYR 23 -19.049 -6.716 3.439 139 1HB TYR 23 2HB TYR 23 -19.154 -5.220 6.034 140 2HB TYR 23 1HB TYR 23 -19.004 -4.577 4.414 141 HD1 TYR 23 1HD TYR 23 -21.010 -5.030 2.741 142 HD2 TYR 23 2HD TYR 23 -21.299 -5.480 6.953 143 HE1 TYR 23 1HE TYR 23 -23.445 -4.887 2.585 144 HE2 TYR 23 2HE TYR 23 -23.743 -5.338 6.803 145 HH TYR 23 HH TYR 23 -25.507 -5.682 5.173 146 H GLU 24 H GLU 24 -16.995 -5.878 3.247 147 HA GLU 24 HA GLU 24 -14.989 -7.088 5.047 148 1HB GLU 24 2HB GLU 24 -14.953 -6.375 2.149 149 2HB GLU 24 1HB GLU 24 -13.556 -6.980 3.007 150 1HG GLU 24 2HG GLU 24 -14.997 -8.946 3.661 151 2HG GLU 24 1HG GLU 24 -16.262 -8.256 2.633 152 H CYS 25 H CYS 25 -12.912 -6.250 4.964 153 HA CYS 25 HA CYS 25 -12.617 -3.372 5.020 154 1HB CYS 25 2HB CYS 25 -12.852 -4.143 7.408 155 2HB CYS 25 1HB CYS 25 -11.603 -5.348 7.118 156 H LEU 26 H LEU 26 -11.558 -3.739 2.913 157 HA LEU 26 HA LEU 26 -9.220 -5.511 2.835 158 1HB LEU 26 2HB LEU 26 -10.110 -3.445 0.784 159 2HB LEU 26 1HB LEU 26 -9.084 -4.819 0.551 160 HG LEU 26 HG LEU 26 -12.019 -4.985 1.254 161 1HD1 LEU 26 1HD1 LEU 26 -11.659 -4.185 -1.050 162 2HD1 LEU 26 2HD1 LEU 26 -12.265 -5.827 -1.100 163 3HD1 LEU 26 3HD1 LEU 26 -10.567 -5.523 -1.372 164 1HD2 LEU 26 1HD2 LEU 26 -11.836 -7.395 0.793 165 2HD2 LEU 26 2HD2 LEU 26 -10.813 -6.937 2.141 166 3HD2 LEU 26 3HD2 LEU 26 -10.102 -7.228 0.558 167 H CYS 27 H CYS 27 -7.500 -3.984 1.357 168 HA CYS 27 HA CYS 27 -6.232 -2.387 3.417 169 1HB CYS 27 2HB CYS 27 -5.427 -3.243 0.674 170 2HB CYS 27 1HB CYS 27 -4.471 -2.114 1.576 171 HA PRO 28 HA PRO 28 -7.407 1.547 1.716 172 1HB PRO 28 2HB PRO 28 -5.687 3.122 3.194 173 2HB PRO 28 1HB PRO 28 -7.145 2.432 3.835 174 1HG PRO 28 2HG PRO 28 -4.382 1.686 4.376 175 2HG PRO 28 1HG PRO 28 -5.842 1.339 5.302 176 1HD PRO 28 2HD PRO 28 -4.400 -0.416 3.555 177 2HD PRO 28 1HD PRO 28 -5.876 -0.733 4.490 178 H ASP 29 H ASP 29 -3.969 1.612 2.428 179 HA ASP 29 HA ASP 29 -3.328 2.833 -0.160 180 1HB ASP 29 2HB ASP 29 -1.160 3.214 0.855 181 2HB ASP 29 1HB ASP 29 -2.369 3.612 2.048 182 H GLY 30 H GLY 30 -0.722 1.761 -0.420 183 1HA GLY 30 2HA GLY 30 -1.177 -0.478 -2.044 184 2HA GLY 30 1HA GLY 30 0.385 0.166 -1.618 185 H PHE 31 H PHE 31 -0.348 -0.385 1.319 186 HA PHE 31 HA PHE 31 1.133 -2.715 1.747 187 1HB PHE 31 2HB PHE 31 -1.021 -1.381 3.392 188 2HB PHE 31 1HB PHE 31 -0.006 -2.646 4.010 189 HD1 PHE 31 1HD PHE 31 1.998 -0.822 1.671 190 HD2 PHE 31 2HD PHE 31 0.404 -0.528 5.630 191 HE1 PHE 31 1HE PHE 31 3.733 0.738 2.248 192 HE2 PHE 31 2HE PHE 31 2.182 1.058 6.191 193 HZ PHE 31 HZ PHE 31 3.857 1.681 4.485 194 H GLN 32 H GLN 32 0.412 -4.628 3.058 195 HA GLN 32 HA GLN 32 -1.747 -6.037 1.602 196 1HB GLN 32 2HB GLN 32 0.839 -7.039 2.785 197 2HB GLN 32 1HB GLN 32 -0.406 -8.059 2.147 198 1HG GLN 32 2HG GLN 32 1.343 -7.741 0.442 199 2HG GLN 32 1HG GLN 32 -0.117 -6.938 -0.105 200 1HE2 GLN 32 1HE2 GLN 32 0.617 -5.146 -1.236 201 2HE2 GLN 32 2HE2 GLN 32 1.743 -4.022 -0.644 202 H LEU 33 H LEU 33 -3.426 -6.722 2.682 203 HA LEU 33 HA LEU 33 -3.452 -6.731 5.639 204 1HB LEU 33 2HB LEU 33 -5.312 -5.785 4.190 205 2HB LEU 33 1HB LEU 33 -5.623 -7.397 3.593 206 HG LEU 33 HG LEU 33 -5.834 -6.585 6.535 207 1HD1 LEU 33 1HD1 LEU 33 -7.485 -5.403 5.123 208 2HD1 LEU 33 2HD1 LEU 33 -8.274 -6.607 6.128 209 3HD1 LEU 33 3HD1 LEU 33 -8.002 -6.928 4.421 210 1HD2 LEU 33 1HD2 LEU 33 -6.890 -9.059 5.082 211 2HD2 LEU 33 2HD2 LEU 33 -7.161 -8.653 6.757 212 3HD2 LEU 33 3HD2 LEU 33 -5.554 -9.071 6.224 213 H VAL 34 H VAL 34 -2.331 -8.255 6.354 214 HA VAL 34 HA VAL 34 -2.675 -11.060 5.409 215 HB VAL 34 HB VAL 34 -0.412 -10.161 5.170 216 1HG1 VAL 34 1HG1 VAL 34 -0.509 -9.739 8.175 217 2HG1 VAL 34 2HG1 VAL 34 -0.485 -8.472 6.953 218 3HG1 VAL 34 3HG1 VAL 34 0.904 -9.532 7.150 219 1HG2 VAL 34 1HG2 VAL 34 -0.592 -12.216 7.418 220 2HG2 VAL 34 2HG2 VAL 34 0.821 -11.909 6.425 221 3HG2 VAL 34 3HG2 VAL 34 -0.634 -12.570 5.699 222 H ALA 35 H ALA 35 -2.676 -8.978 8.232 223 HA ALA 35 HA ALA 35 -3.119 -11.104 10.074 224 1HB ALA 35 1HB ALA 35 -3.337 -8.074 10.388 225 2HB ALA 35 2HB ALA 35 -1.916 -9.042 10.751 226 3HB ALA 35 3HB ALA 35 -3.359 -9.197 11.739 227 H GLN 36 H GLN 36 -4.963 -10.943 8.006 228 HA GLN 36 HA GLN 36 -7.226 -11.027 7.465 229 1HB GLN 36 2HB GLN 36 -7.430 -11.855 10.382 230 2HB GLN 36 1HB GLN 36 -8.632 -12.155 9.151 231 1HG GLN 36 2HG GLN 36 -6.978 -13.504 7.825 232 2HG GLN 36 1HG GLN 36 -5.765 -13.238 9.070 233 1HE2 GLN 36 1HE2 GLN 36 -7.932 -15.505 8.028 234 2HE2 GLN 36 2HE2 GLN 36 -8.216 -16.318 9.490 235 H ARG 37 H ARG 37 -6.266 -8.423 8.959 236 HA ARG 37 HA ARG 37 -8.949 -7.283 8.932 237 1HB ARG 37 2HB ARG 37 -8.393 -8.470 11.281 238 2HB ARG 37 1HB ARG 37 -7.436 -7.042 11.561 239 1HG ARG 37 2HG ARG 37 -9.586 -6.615 12.535 240 2HG ARG 37 1HG ARG 37 -9.532 -5.661 11.057 241 1HD ARG 37 2HD ARG 37 -10.739 -7.548 9.834 242 2HD ARG 37 1HD ARG 37 -10.756 -8.446 11.338 243 HE ARG 37 HE ARG 37 -11.945 -5.770 11.547 244 1HH1 ARG 37 2HH1 ARG 37 -12.483 -9.118 10.810 245 2HH1 ARG 37 1HH1 ARG 37 -14.178 -9.032 11.145 246 1HH2 ARG 37 1HH2 ARG 37 -14.087 -5.643 11.974 247 2HH2 ARG 37 2HH2 ARG 37 -15.101 -7.038 11.813 248 H ARG 38 H ARG 38 -5.823 -6.609 10.418 249 HA ARG 38 HA ARG 38 -5.794 -3.845 9.508 250 1HB ARG 38 2HB ARG 38 -3.762 -5.519 11.009 251 2HB ARG 38 1HB ARG 38 -3.676 -3.789 10.784 252 1HG ARG 38 2HG ARG 38 -5.804 -3.487 12.034 253 2HG ARG 38 1HG ARG 38 -5.949 -5.225 12.233 254 1HD ARG 38 2HD ARG 38 -3.652 -3.538 13.315 255 2HD ARG 38 1HD ARG 38 -4.980 -4.193 14.275 256 HE ARG 38 HE ARG 38 -3.899 -6.399 12.959 257 1HH1 ARG 38 2HH1 ARG 38 -2.749 -3.934 15.107 258 2HH1 ARG 38 1HH1 ARG 38 -1.538 -4.953 15.811 259 1HH2 ARG 38 1HH2 ARG 38 -2.379 -7.706 13.835 260 2HH2 ARG 38 2HH2 ARG 38 -1.325 -7.124 15.080 261 H CYS 39 H CYS 39 -4.733 -3.046 7.800 262 HA CYS 39 HA CYS 39 -3.216 -4.931 6.082 263 1HB CYS 39 2HB CYS 39 -4.998 -3.523 5.070 264 2HB CYS 39 1HB CYS 39 -4.083 -2.099 5.509 265 H GLU 40 H GLU 40 -1.122 -4.803 5.716 266 HA GLU 40 HA GLU 40 0.458 -2.428 6.302 267 1HB GLU 40 2HB GLU 40 0.151 -3.418 8.570 268 2HB GLU 40 1HB GLU 40 0.825 -4.931 7.998 269 1HG GLU 40 2HG GLU 40 2.988 -3.783 7.508 270 2HG GLU 40 1HG GLU 40 2.309 -2.259 8.055 271 H ASP 41 H ASP 41 2.584 -2.544 5.521 272 HA ASP 41 HA ASP 41 3.053 -4.676 3.536 273 1HB ASP 41 2HB ASP 41 3.071 -2.460 2.761 274 2HB ASP 41 1HB ASP 41 4.256 -1.919 3.935 275 H ILE 42 H ILE 42 5.153 -5.420 3.230 276 HA ILE 42 HA ILE 42 6.322 -6.363 5.644 277 HB ILE 42 HB ILE 42 6.273 -7.739 3.555 278 1HG1 ILE 42 2HG1 ILE 42 8.609 -8.555 3.486 279 2HG1 ILE 42 1HG1 ILE 42 9.167 -7.138 4.342 280 1HG2 ILE 42 1HG2 ILE 42 8.236 -5.695 2.432 281 2HG2 ILE 42 2HG2 ILE 42 6.578 -5.917 1.904 282 3HG2 ILE 42 3HG2 ILE 42 7.756 -7.185 1.644 283 1HD1 ILE 42 1HD1 ILE 42 7.231 -9.236 5.419 284 2HD1 ILE 42 2HD1 ILE 42 7.755 -7.818 6.315 285 3HD1 ILE 42 3HD1 ILE 42 8.915 -9.057 5.882 286 H ASP 43 H ASP 43 8.682 -6.046 6.169 287 HA ASP 43 HA ASP 43 9.556 -3.229 5.616 288 1HB ASP 43 2HB ASP 43 9.107 -4.025 8.005 289 2HB ASP 43 1HB ASP 43 10.462 -5.123 7.823 290 H GLU 44 H GLU 44 10.940 -3.166 4.075 291 HA GLU 44 HA GLU 44 12.409 -5.444 3.111 292 1HB GLU 44 2HB GLU 44 12.862 -2.525 2.495 293 2HB GLU 44 1HB GLU 44 13.352 -3.886 1.515 294 1HG GLU 44 2HG GLU 44 11.430 -2.930 0.528 295 2HG GLU 44 1HG GLU 44 10.904 -4.468 1.169 296 H CYS 45 H CYS 45 13.094 -2.820 5.327 297 HA CYS 45 HA CYS 45 15.911 -3.016 5.202 298 1HB CYS 45 2HB CYS 45 14.083 -1.897 7.322 299 2HB CYS 45 1HB CYS 45 15.786 -1.848 7.444 300 H GLN 46 H GLN 46 13.800 -3.815 7.800 301 HA GLN 46 HA GLN 46 15.297 -5.149 9.611 302 1HB GLN 46 2HB GLN 46 12.515 -5.820 8.626 303 2HB GLN 46 1HB GLN 46 13.200 -6.508 10.071 304 1HG GLN 46 2HG GLN 46 12.884 -3.510 9.553 305 2HG GLN 46 1HG GLN 46 11.785 -4.454 10.549 306 1HE2 GLN 46 1HE2 GLN 46 12.924 -5.619 12.460 307 2HE2 GLN 46 2HE2 GLN 46 14.187 -4.780 13.224 308 H ASP 47 H ASP 47 14.149 -6.631 6.654 309 HA ASP 47 HA ASP 47 15.124 -9.220 7.351 310 1HB ASP 47 2HB ASP 47 13.209 -8.946 5.803 311 2HB ASP 47 1HB ASP 47 14.247 -8.115 4.653 312 HA PRO 48 HA PRO 48 19.294 -8.067 6.052 313 1HB PRO 48 2HB PRO 48 20.577 -10.344 6.702 314 2HB PRO 48 1HB PRO 48 19.918 -9.292 7.932 315 1HG PRO 48 2HG PRO 48 18.726 -11.792 6.805 316 2HG PRO 48 1HG PRO 48 18.851 -11.274 8.495 317 1HD PRO 48 2HD PRO 48 16.593 -10.985 6.986 318 2HD PRO 48 1HD PRO 48 17.006 -9.938 8.355 319 H ASP 49 H ASP 49 18.318 -7.986 3.878 320 HA ASP 49 HA ASP 49 19.760 -9.788 2.053 321 1HB ASP 49 2HB ASP 49 17.506 -10.821 2.328 322 2HB ASP 49 1HB ASP 49 16.780 -9.258 1.964 323 H THR 50 H THR 50 17.765 -7.013 2.671 324 HA THR 50 HA THR 50 18.219 -5.637 0.184 325 HB THR 50 HB THR 50 17.250 -4.593 2.918 326 HG1 THR 50 1HG THR 50 15.904 -6.124 2.178 327 1HG2 THR 50 1HG2 THR 50 16.172 -2.826 1.558 328 2HG2 THR 50 2HG2 THR 50 16.780 -3.534 0.068 329 3HG2 THR 50 3HG2 THR 50 17.886 -2.761 1.191 330 H CYS 51 H CYS 51 19.084 -4.067 3.214 331 HA CYS 51 HA CYS 51 21.555 -3.032 2.019 332 1HB CYS 51 2HB CYS 51 20.496 -2.677 4.822 333 2HB CYS 51 1HB CYS 51 21.522 -1.598 3.917 334 H SER 52 H SER 52 23.744 -3.346 3.188 335 HA SER 52 HA SER 52 24.070 -6.109 3.936 336 1HB SER 52 2HB SER 52 25.903 -4.761 2.857 337 2HB SER 52 1HB SER 52 25.987 -3.750 4.311 338 HG SER 52 HG SER 52 26.400 -5.635 5.511 339 H GLN 53 H GLN 53 23.523 -3.135 5.619 340 HA GLN 53 HA GLN 53 23.264 -4.593 8.182 341 1HB GLN 53 2HB GLN 53 24.953 -2.143 7.701 342 2HB GLN 53 1HB GLN 53 24.467 -2.655 9.296 343 1HG GLN 53 2HG GLN 53 26.081 -4.277 7.323 344 2HG GLN 53 1HG GLN 53 26.734 -3.382 8.695 345 1HE2 GLN 53 1HE2 GLN 53 25.128 -4.008 10.793 346 2HE2 GLN 53 2HE2 GLN 53 25.078 -5.682 11.067 347 H LEU 54 H LEU 54 23.415 -1.168 8.351 348 HA LEU 54 HA LEU 54 20.787 -0.984 9.415 349 1HB LEU 54 2HB LEU 54 22.779 0.102 10.274 350 2HB LEU 54 1HB LEU 54 23.039 0.916 8.756 351 HG LEU 54 HG LEU 54 20.465 1.422 10.303 352 1HD1 LEU 54 1HD1 LEU 54 21.675 3.323 11.347 353 2HD1 LEU 54 2HD1 LEU 54 23.175 2.840 10.558 354 3HD1 LEU 54 3HD1 LEU 54 22.467 1.818 11.801 355 1HD2 LEU 54 1HD2 LEU 54 20.719 3.571 9.071 356 2HD2 LEU 54 2HD2 LEU 54 20.850 2.275 7.902 357 3HD2 LEU 54 3HD2 LEU 54 22.302 3.039 8.504 358 H CYS 55 H CYS 55 19.261 0.439 8.750 359 HA CYS 55 HA CYS 55 19.103 1.448 6.011 360 1HB CYS 55 2HB CYS 55 18.748 -0.976 5.733 361 2HB CYS 55 1HB CYS 55 17.531 -0.995 6.924 362 H VAL 56 H VAL 56 16.547 1.937 5.692 363 HA VAL 56 HA VAL 56 15.265 2.884 8.158 364 HB VAL 56 HB VAL 56 16.837 4.718 7.685 365 1HG1 VAL 56 1HG1 VAL 56 16.811 6.016 5.590 366 2HG1 VAL 56 2HG1 VAL 56 15.659 4.912 4.876 367 3HG1 VAL 56 3HG1 VAL 56 17.273 4.356 5.286 368 1HG2 VAL 56 1HG2 VAL 56 14.011 5.487 6.857 369 2HG2 VAL 56 2HG2 VAL 56 15.249 6.604 7.406 370 3HG2 VAL 56 3HG2 VAL 56 14.619 5.385 8.501 371 H ASN 57 H ASN 57 13.588 1.684 7.764 372 HA ASN 57 HA ASN 57 12.208 1.566 5.188 373 1HB ASN 57 2HB ASN 57 12.447 -0.463 6.583 374 2HB ASN 57 1HB ASN 57 11.533 0.311 7.868 375 1HD2 ASN 57 1HD2 ASN 57 9.527 -0.695 7.920 376 2HD2 ASN 57 2HD2 ASN 57 8.561 -1.009 6.559 377 H LEU 58 H LEU 58 9.996 1.763 5.044 378 HA LEU 58 HA LEU 58 8.208 3.261 6.695 379 1HB LEU 58 2HB LEU 58 8.065 5.375 5.440 380 2HB LEU 58 1HB LEU 58 9.656 5.198 6.096 381 HG LEU 58 HG LEU 58 9.047 4.512 3.185 382 1HD1 LEU 58 1HD1 LEU 58 10.019 6.736 2.672 383 2HD1 LEU 58 2HD1 LEU 58 10.175 7.094 4.387 384 3HD1 LEU 58 3HD1 LEU 58 8.582 6.933 3.662 385 1HD2 LEU 58 1HD2 LEU 58 11.503 4.818 2.990 386 2HD2 LEU 58 2HD2 LEU 58 11.148 3.556 4.142 387 3HD2 LEU 58 3HD2 LEU 58 11.617 5.154 4.699 388 H GLU 59 H GLU 59 6.902 4.434 4.496 389 HA GLU 59 HA GLU 59 5.420 2.145 3.581 390 1HB GLU 59 2HB GLU 59 4.340 4.425 4.046 391 2HB GLU 59 1HB GLU 59 5.233 5.088 2.691 392 1HG GLU 59 2HG GLU 59 3.969 3.561 1.121 393 2HG GLU 59 1HG GLU 59 3.118 2.886 2.490 394 H GLY 60 H GLY 60 6.839 0.967 2.761 395 1HA GLY 60 2HA GLY 60 7.905 -0.148 1.120 396 2HA GLY 60 1HA GLY 60 6.793 0.681 0.041 397 H GLY 61 H GLY 61 8.360 3.078 1.526 398 1HA GLY 61 2HA GLY 61 10.162 3.615 -0.735 399 2HA GLY 61 1HA GLY 61 9.751 4.724 0.562 400 H TYR 62 H TYR 62 10.739 1.834 1.770 401 HA TYR 62 HA TYR 62 12.812 2.526 3.359 402 1HB TYR 62 2HB TYR 62 13.648 0.238 3.314 403 2HB TYR 62 1HB TYR 62 11.905 0.195 3.114 404 HD1 TYR 62 1HD TYR 62 15.063 -0.652 1.663 405 HD2 TYR 62 2HD TYR 62 11.000 0.090 0.654 406 HE1 TYR 62 1HE TYR 62 15.413 -1.730 -0.494 407 HE2 TYR 62 2HE TYR 62 11.346 -0.990 -1.515 408 HH TYR 62 HH TYR 62 14.461 -2.453 -2.375 409 H LYS 63 H LYS 63 14.932 3.103 3.358 410 HA LYS 63 HA LYS 63 16.453 2.920 0.821 411 1HB LYS 63 2HB LYS 63 16.539 5.112 2.878 412 2HB LYS 63 1HB LYS 63 17.460 5.004 1.441 413 1HG LYS 63 2HG LYS 63 14.431 5.314 1.512 414 2HG LYS 63 1HG LYS 63 15.545 6.610 1.170 415 1HD LYS 63 2HD LYS 63 15.165 4.120 -0.563 416 2HD LYS 63 1HD LYS 63 14.569 5.720 -0.922 417 1HE LYS 63 2HE LYS 63 17.518 4.948 -0.702 418 2HE LYS 63 1HE LYS 63 16.637 5.278 -2.181 419 1HZ LYS 63 1HZ LYS 63 17.840 7.207 -1.555 420 2HZ LYS 63 2HZ LYS 63 17.174 7.190 0.008 421 3HZ LYS 63 3HZ LYS 63 16.184 7.518 -1.332 422 H CYS 64 H CYS 64 18.677 2.772 1.165 423 HA CYS 64 HA CYS 64 19.430 1.443 3.702 424 1HB CYS 64 2HB CYS 64 20.750 1.444 1.015 425 2HB CYS 64 1HB CYS 64 21.364 0.666 2.418 426 H GLN 65 H GLN 65 21.459 1.699 4.502 427 HA GLN 65 HA GLN 65 23.110 4.056 3.891 428 1HB GLN 65 2HB GLN 65 21.962 3.692 6.673 429 2HB GLN 65 1HB GLN 65 22.960 5.005 6.132 430 1HG GLN 65 2HG GLN 65 21.184 5.857 4.647 431 2HG GLN 65 1HG GLN 65 20.121 4.541 5.140 432 1HE2 GLN 65 1HE2 GLN 65 18.960 4.768 7.055 433 2HE2 GLN 65 2HE2 GLN 65 19.126 6.083 8.116 434 H CYS 66 H CYS 66 24.671 3.949 6.117 435 HA CYS 66 HA CYS 66 25.699 1.142 6.153 436 1HB CYS 66 2HB CYS 66 27.206 3.713 6.643 437 2HB CYS 66 1HB CYS 66 27.825 2.174 6.428 438 H GLU 67 H GLU 67 26.689 0.423 7.894 439 HA GLU 67 HA GLU 67 25.413 1.108 10.452 440 1HB GLU 67 2HB GLU 67 25.674 -1.207 9.546 441 2HB GLU 67 1HB GLU 67 27.396 -1.105 9.747 442 1HG GLU 67 2HG GLU 67 26.433 -2.313 11.663 443 2HG GLU 67 1HG GLU 67 27.058 -0.782 12.243 444 H GLU 68 H GLU 68 26.773 3.215 10.008 445 HA GLU 68 HA GLU 68 28.427 4.668 10.772 446 1HB GLU 68 2HB GLU 68 28.889 2.413 12.802 447 2HB GLU 68 1HB GLU 68 29.551 4.021 12.929 448 1HG GLU 68 2HG GLU 68 27.235 4.960 12.984 449 2HG GLU 68 1HG GLU 68 26.565 3.349 12.772 450 H GLY 69 H GLY 69 30.189 1.739 11.564 451 1HA GLY 69 2HA GLY 69 32.663 2.478 10.529 452 2HA GLY 69 1HA GLY 69 32.184 0.818 10.851 453 H PHE 70 H PHE 70 29.906 1.154 8.909 454 HA PHE 70 HA PHE 70 31.319 0.248 6.614 455 1HB PHE 70 2HB PHE 70 28.432 0.635 7.313 456 2HB PHE 70 1HB PHE 70 28.869 0.217 5.662 457 HD1 PHE 70 1HD PHE 70 30.516 -1.095 8.772 458 HD2 PHE 70 2HD PHE 70 27.831 -1.907 5.570 459 HE1 PHE 70 1HE PHE 70 30.490 -3.453 9.404 460 HE2 PHE 70 2HE PHE 70 27.826 -4.268 6.195 461 HZ PHE 70 HZ PHE 70 29.148 -5.057 8.110 462 H GLN 71 H GLN 71 31.014 1.145 4.451 463 HA GLN 71 HA GLN 71 30.433 4.000 4.322 464 1HB GLN 71 2HB GLN 71 32.951 2.531 3.668 465 2HB GLN 71 1HB GLN 71 32.538 3.860 2.647 466 1HG GLN 71 2HG GLN 71 32.781 4.006 5.701 467 2HG GLN 71 1HG GLN 71 33.998 4.590 4.568 468 1HE2 GLN 71 1HE2 GLN 71 32.763 6.386 6.367 469 2HE2 GLN 71 2HE2 GLN 71 31.771 7.457 5.499 470 H LEU 72 H LEU 72 30.658 4.779 2.144 471 HA LEU 72 HA LEU 72 28.687 3.338 0.523 472 1HB LEU 72 2HB LEU 72 28.646 5.819 0.771 473 2HB LEU 72 1HB LEU 72 30.169 5.919 -0.089 474 HG LEU 72 HG LEU 72 29.043 4.695 -2.030 475 1HD1 LEU 72 1HD1 LEU 72 27.159 3.672 -0.810 476 2HD1 LEU 72 2HD1 LEU 72 26.574 4.692 -2.110 477 3HD1 LEU 72 3HD1 LEU 72 26.509 5.263 -0.453 478 1HD2 LEU 72 1HD2 LEU 72 29.345 7.157 -2.046 479 2HD2 LEU 72 2HD2 LEU 72 27.823 7.362 -1.189 480 3HD2 LEU 72 3HD2 LEU 72 27.834 6.720 -2.827 481 H ASP 73 H ASP 73 29.532 1.576 -0.378 482 HA ASP 73 HA ASP 73 32.157 1.441 -1.613 483 1HB ASP 73 2HB ASP 73 31.041 -0.615 -0.734 484 2HB ASP 73 1HB ASP 73 29.774 -0.446 -1.934 485 HA PRO 74 HA PRO 74 30.695 3.379 -5.410 486 1HB PRO 74 2HB PRO 74 32.946 3.182 -6.896 487 2HB PRO 74 1HB PRO 74 32.835 4.291 -5.550 488 1HG PRO 74 2HG PRO 74 34.053 1.556 -5.596 489 2HG PRO 74 1HG PRO 74 34.711 3.062 -4.927 490 1HD PRO 74 2HD PRO 74 33.526 1.207 -3.384 491 2HD PRO 74 1HD PRO 74 33.417 2.938 -3.021 492 H HIS 75 H HIS 75 30.558 2.841 -7.709 493 HA HIS 75 HA HIS 75 29.891 1.489 -9.472 494 1HB HIS 75 2HB HIS 75 31.563 -0.673 -8.095 495 2HB HIS 75 1HB HIS 75 31.009 -0.689 -9.760 496 HD1 HIS 75 1HD HIS 75 33.376 1.163 -7.574 497 HD2 HIS 75 2HD HIS 75 32.522 0.860 -11.554 498 HE1 HIS 75 1HE HIS 75 35.176 2.361 -8.763 499 H THR 76 H THR 76 28.933 1.067 -6.452 500 HA THR 76 HA THR 76 26.686 -0.737 -7.152 501 HB THR 76 HB THR 76 26.949 -1.870 -4.882 502 HG1 THR 76 1HG THR 76 28.836 -1.392 -3.780 503 1HG2 THR 76 1HG2 THR 76 28.990 -3.219 -5.393 504 2HG2 THR 76 2HG2 THR 76 29.581 -1.986 -6.492 505 3HG2 THR 76 3HG2 THR 76 28.168 -2.937 -6.919 506 H LYS 77 H LYS 77 28.161 1.462 -5.020 507 HA LYS 77 HA LYS 77 27.425 3.253 -3.711 508 1HB LYS 77 2HB LYS 77 24.897 2.805 -5.109 509 2HB LYS 77 1HB LYS 77 25.253 4.244 -4.191 510 1HG LYS 77 2HG LYS 77 27.210 4.689 -5.716 511 2HG LYS 77 1HG LYS 77 26.744 3.315 -6.700 512 1HD LYS 77 2HD LYS 77 25.044 5.795 -6.206 513 2HD LYS 77 1HD LYS 77 25.927 5.436 -7.676 514 1HE LYS 77 2HE LYS 77 24.534 3.395 -8.031 515 2HE LYS 77 1HE LYS 77 23.632 3.754 -6.563 516 1HZ LYS 77 1HZ LYS 77 23.811 5.524 -8.925 517 2HZ LYS 77 2HZ LYS 77 22.926 5.826 -7.508 518 3HZ LYS 77 3HZ LYS 77 22.493 4.532 -8.519 519 H ALA 78 H ALA 78 26.937 0.288 -3.207 520 HA ALA 78 HA ALA 78 24.774 0.340 -1.180 521 1HB ALA 78 1HB ALA 78 25.134 -2.122 -1.144 522 2HB ALA 78 2HB ALA 78 26.497 -1.942 -2.239 523 3HB ALA 78 3HB ALA 78 24.872 -1.561 -2.788 524 H CYS 79 H CYS 79 25.198 -0.111 0.986 525 HA CYS 79 HA CYS 79 27.869 0.651 1.884 526 1HB CYS 79 2HB CYS 79 25.334 0.101 3.359 527 2HB CYS 79 1HB CYS 79 26.827 0.441 4.181 528 H LYS 80 H LYS 80 29.249 -0.381 3.082 529 HA LYS 80 HA LYS 80 28.777 -3.044 4.169 530 1HB LYS 80 2HB LYS 80 30.557 -4.068 3.199 531 2HB LYS 80 1HB LYS 80 29.417 -3.702 1.892 532 1HG LYS 80 2HG LYS 80 30.873 -1.622 1.386 533 2HG LYS 80 1HG LYS 80 32.061 -2.245 2.516 534 1HD LYS 80 2HD LYS 80 32.219 -4.341 1.153 535 2HD LYS 80 1HD LYS 80 31.146 -3.607 -0.034 536 1HE LYS 80 2HE LYS 80 32.791 -1.676 -0.217 537 2HE LYS 80 1HE LYS 80 33.854 -2.549 0.862 538 1HZ LYS 80 1HZ LYS 80 33.695 -4.436 -0.777 539 2HZ LYS 80 2HZ LYS 80 34.590 -3.070 -1.247 540 3HZ LYS 80 3HZ LYS 80 33.024 -3.305 -1.855 541 H ALA 81 H ALA 81 30.958 -3.724 5.324 542 HA ALA 81 HA ALA 81 31.991 -1.722 7.003 543 1HB ALA 81 1HB ALA 81 33.374 -4.267 6.092 544 2HB ALA 81 2HB ALA 81 32.249 -4.141 7.433 545 3HB ALA 81 3HB ALA 81 33.806 -3.332 7.517 546 H VAL 82 H VAL 82 33.364 -0.055 6.759 547 HA VAL 82 HA VAL 82 34.415 0.784 4.349 548 HB VAL 82 HB VAL 82 34.226 2.216 6.355 549 1HG1 VAL 82 1HG1 VAL 82 35.906 2.065 8.185 550 2HG1 VAL 82 2HG1 VAL 82 36.637 0.664 7.424 551 3HG1 VAL 82 3HG1 VAL 82 35.018 0.559 8.074 552 1HG2 VAL 82 1HG2 VAL 82 37.080 2.107 5.308 553 2HG2 VAL 82 2HG2 VAL 82 36.346 3.464 6.143 554 3HG2 VAL 82 3HG2 VAL 82 35.742 2.972 4.571 Start of MODEL 9 1 H GLY 1 H GLY 1 -26.003 4.109 -1.450 2 1HA GLY 1 2HA GLY 1 -24.593 1.644 -1.792 3 2HA GLY 1 1HA GLY 1 -23.436 2.974 -1.713 4 H THR 2 H THR 2 -24.031 0.731 0.147 5 HA THR 2 HA THR 2 -25.332 1.537 2.467 6 HB THR 2 HB THR 2 -24.746 -0.766 2.085 7 HG1 THR 2 1HG THR 2 -23.783 -1.156 4.124 8 1HG2 THR 2 1HG2 THR 2 -21.870 0.154 2.560 9 2HG2 THR 2 2HG2 THR 2 -22.482 -0.336 0.988 10 3HG2 THR 2 3HG2 THR 2 -22.381 -1.509 2.289 11 H ASN 3 H ASN 3 -24.271 1.780 4.579 12 HA ASN 3 HA ASN 3 -22.338 4.018 4.473 13 1HB ASN 3 2HB ASN 3 -24.551 4.236 5.719 14 2HB ASN 3 1HB ASN 3 -24.054 2.928 6.775 15 1HD2 ASN 3 1HD2 ASN 3 -23.037 6.238 5.786 16 2HD2 ASN 3 2HD2 ASN 3 -22.335 6.626 7.282 17 H GLU 4 H GLU 4 -21.522 1.399 4.065 18 HA GLU 4 HA GLU 4 -19.796 0.722 6.363 19 1HB GLU 4 2HB GLU 4 -20.232 -0.556 3.611 20 2HB GLU 4 1HB GLU 4 -19.252 -1.234 4.888 21 1HG GLU 4 2HG GLU 4 -21.144 -1.391 6.406 22 2HG GLU 4 1HG GLU 4 -22.185 -0.505 5.327 23 H CYS 5 H CYS 5 -19.755 1.992 3.087 24 HA CYS 5 HA CYS 5 -16.919 2.263 3.004 25 1HB CYS 5 2HB CYS 5 -19.119 3.414 1.265 26 2HB CYS 5 1HB CYS 5 -17.426 3.511 0.887 27 H LEU 6 H LEU 6 -19.726 4.240 3.430 28 HA LEU 6 HA LEU 6 -18.680 6.803 3.584 29 1HB LEU 6 2HB LEU 6 -21.003 5.598 5.084 30 2HB LEU 6 1HB LEU 6 -20.761 7.306 4.834 31 HG LEU 6 HG LEU 6 -21.200 5.198 2.646 32 1HD1 LEU 6 1HD1 LEU 6 -23.266 5.778 3.910 33 2HD1 LEU 6 2HD1 LEU 6 -23.346 6.398 2.273 34 3HD1 LEU 6 3HD1 LEU 6 -22.977 7.482 3.608 35 1HD2 LEU 6 1HD2 LEU 6 -20.930 8.233 2.350 36 2HD2 LEU 6 2HD2 LEU 6 -21.317 7.111 1.055 37 3HD2 LEU 6 3HD2 LEU 6 -19.738 7.065 1.806 38 H ASP 7 H ASP 7 -19.156 4.407 6.081 39 HA ASP 7 HA ASP 7 -17.751 6.056 8.153 40 1HB ASP 7 2HB ASP 7 -19.988 4.811 8.624 41 2HB ASP 7 1HB ASP 7 -19.081 3.327 8.369 42 H ASN 8 H ASN 8 -16.634 3.891 9.492 43 HA ASN 8 HA ASN 8 -14.131 3.565 8.367 44 1HB ASN 8 2HB ASN 8 -15.627 1.765 10.122 45 2HB ASN 8 1HB ASN 8 -13.890 1.675 9.932 46 1HD2 ASN 8 1HD2 ASN 8 -12.600 3.333 10.945 47 2HD2 ASN 8 2HD2 ASN 8 -13.257 4.461 12.032 48 H ASN 9 H ASN 9 -13.616 2.563 6.511 49 HA ASN 9 HA ASN 9 -15.156 1.309 4.657 50 1HB ASN 9 2HB ASN 9 -12.798 2.024 4.458 51 2HB ASN 9 1HB ASN 9 -12.302 0.587 5.337 52 1HD2 ASN 9 1HD2 ASN 9 -12.932 -1.556 4.285 53 2HD2 ASN 9 2HD2 ASN 9 -12.913 -1.613 2.601 54 H GLY 10 H GLY 10 -16.709 -0.020 5.706 55 1HA GLY 10 2HA GLY 10 -17.654 -2.032 6.362 56 2HA GLY 10 1HA GLY 10 -16.281 -2.775 5.554 57 H GLY 11 H GLY 11 -15.187 -0.704 7.875 58 1HA GLY 11 2HA GLY 11 -15.289 -1.303 10.401 59 2HA GLY 11 1HA GLY 11 -14.618 -2.844 9.861 60 H CYS 12 H CYS 12 -13.024 -1.759 7.766 61 HA CYS 12 HA CYS 12 -10.716 -0.727 9.284 62 1HB CYS 12 2HB CYS 12 -9.488 -1.498 7.314 63 2HB CYS 12 1HB CYS 12 -10.582 -2.749 7.860 64 H SER 13 H SER 13 -9.794 0.174 6.494 65 HA SER 13 HA SER 13 -11.367 2.493 5.768 66 1HB SER 13 2HB SER 13 -9.664 4.181 6.487 67 2HB SER 13 1HB SER 13 -10.327 3.314 7.879 68 HG SER 13 HG SER 13 -7.949 2.654 6.467 69 H HIS 14 H HIS 14 -10.486 0.262 4.445 70 HA HIS 14 HA HIS 14 -8.363 1.202 2.592 71 1HB HIS 14 2HB HIS 14 -9.288 -1.602 3.335 72 2HB HIS 14 1HB HIS 14 -7.998 -1.191 2.231 73 HD1 HIS 14 1HD HIS 14 -8.511 -1.903 5.640 74 HD2 HIS 14 2HD HIS 14 -5.835 0.415 3.617 75 HE1 HIS 14 1HE HIS 14 -6.639 -1.489 7.198 76 H VAL 15 H VAL 15 -10.059 -1.523 1.522 77 HA VAL 15 HA VAL 15 -11.703 0.087 -0.399 78 HB VAL 15 HB VAL 15 -10.488 -2.683 -0.702 79 1HG1 VAL 15 1HG1 VAL 15 -12.192 -1.101 -2.696 80 2HG1 VAL 15 2HG1 VAL 15 -12.707 -2.555 -1.862 81 3HG1 VAL 15 3HG1 VAL 15 -11.408 -2.637 -3.028 82 1HG2 VAL 15 1HG2 VAL 15 -9.196 -1.638 -2.505 83 2HG2 VAL 15 2HG2 VAL 15 -8.886 -0.856 -0.957 84 3HG2 VAL 15 3HG2 VAL 15 -9.933 -0.082 -2.141 85 H CYS 16 H CYS 16 -13.724 0.091 0.303 86 HA CYS 16 HA CYS 16 -14.859 -2.013 1.941 87 1HB CYS 16 2HB CYS 16 -16.867 -0.626 1.781 88 2HB CYS 16 1HB CYS 16 -15.496 0.364 2.176 89 H ASN 17 H ASN 17 -14.466 -3.834 0.584 90 HA ASN 17 HA ASN 17 -15.947 -3.934 -1.981 91 1HB ASN 17 2HB ASN 17 -13.726 -4.619 -2.148 92 2HB ASN 17 1HB ASN 17 -13.664 -5.466 -0.647 93 1HD2 ASN 17 1HD2 ASN 17 -13.489 -7.650 -1.176 94 2HD2 ASN 17 2HD2 ASN 17 -14.312 -8.446 -2.418 95 H ASP 18 H ASP 18 -17.611 -3.558 -0.789 96 HA ASP 18 HA ASP 18 -18.909 -4.848 1.287 97 1HB ASP 18 2HB ASP 18 -19.605 -2.694 0.333 98 2HB ASP 18 1HB ASP 18 -20.112 -3.479 -1.150 99 H LEU 19 H LEU 19 -18.593 -6.959 1.171 100 HA LEU 19 HA LEU 19 -19.454 -8.769 -0.807 101 1HB LEU 19 2HB LEU 19 -17.781 -8.948 1.248 102 2HB LEU 19 1HB LEU 19 -19.218 -9.230 2.171 103 HG LEU 19 HG LEU 19 -19.790 -11.255 0.912 104 1HD1 LEU 19 1HD1 LEU 19 -18.129 -12.108 -0.729 105 2HD1 LEU 19 2HD1 LEU 19 -17.150 -10.666 -0.477 106 3HD1 LEU 19 3HD1 LEU 19 -18.716 -10.543 -1.253 107 1HD2 LEU 19 1HD2 LEU 19 -17.935 -12.614 1.801 108 2HD2 LEU 19 2HD2 LEU 19 -18.389 -11.353 2.925 109 3HD2 LEU 19 3HD2 LEU 19 -16.942 -11.168 1.955 110 H LYS 20 H LYS 20 -21.113 -10.548 -0.079 111 HA LYS 20 HA LYS 20 -23.671 -9.197 0.297 112 1HB LYS 20 2HB LYS 20 -24.585 -11.494 -0.032 113 2HB LYS 20 1HB LYS 20 -23.404 -11.107 -1.266 114 1HG LYS 20 2HG LYS 20 -21.669 -12.418 -0.001 115 2HG LYS 20 1HG LYS 20 -22.894 -12.855 1.180 116 1HD LYS 20 2HD LYS 20 -24.251 -13.941 -0.577 117 2HD LYS 20 1HD LYS 20 -23.052 -13.502 -1.784 118 1HE LYS 20 2HE LYS 20 -21.340 -14.854 -0.569 119 2HE LYS 20 1HE LYS 20 -22.550 -15.298 0.628 120 1HZ LYS 20 1HZ LYS 20 -22.531 -15.973 -2.249 121 2HZ LYS 20 2HZ LYS 20 -23.877 -16.217 -1.244 122 3HZ LYS 20 3HZ LYS 20 -22.422 -17.035 -0.928 123 H ILE 21 H ILE 21 -21.584 -11.454 2.055 124 HA ILE 21 HA ILE 21 -22.588 -10.543 4.654 125 HB ILE 21 HB ILE 21 -22.503 -13.438 3.698 126 1HG1 ILE 21 2HG1 ILE 21 -24.888 -11.730 4.567 127 2HG1 ILE 21 1HG1 ILE 21 -24.548 -12.250 2.929 128 1HG2 ILE 21 1HG2 ILE 21 -21.711 -13.207 6.026 129 2HG2 ILE 21 2HG2 ILE 21 -23.274 -13.993 6.017 130 3HG2 ILE 21 3HG2 ILE 21 -23.152 -12.287 6.441 131 1HD1 ILE 21 1HD1 ILE 21 -26.269 -13.676 3.919 132 2HD1 ILE 21 2HD1 ILE 21 -25.195 -14.137 5.221 133 3HD1 ILE 21 3HD1 ILE 21 -24.826 -14.613 3.571 134 H GLY 22 H GLY 22 -20.637 -9.764 5.382 135 1HA GLY 22 2HA GLY 22 -18.613 -10.209 6.550 136 2HA GLY 22 1HA GLY 22 -18.356 -11.557 5.474 137 H TYR 23 H TYR 23 -19.096 -8.242 4.941 138 HA TYR 23 HA TYR 23 -17.895 -7.443 2.666 139 1HB TYR 23 2HB TYR 23 -17.475 -5.734 5.094 140 2HB TYR 23 1HB TYR 23 -17.813 -5.236 3.452 141 HD1 TYR 23 1HD TYR 23 -20.117 -6.839 2.601 142 HD2 TYR 23 2HD TYR 23 -19.282 -5.131 6.396 143 HE1 TYR 23 1HE TYR 23 -22.518 -6.814 3.121 144 HE2 TYR 23 2HE TYR 23 -21.680 -5.105 6.921 145 HH TYR 23 HH TYR 23 -23.808 -5.100 5.755 146 H GLU 24 H GLU 24 -15.984 -6.504 1.941 147 HA GLU 24 HA GLU 24 -13.569 -7.429 3.375 148 1HB GLU 24 2HB GLU 24 -14.124 -6.995 0.479 149 2HB GLU 24 1HB GLU 24 -12.594 -7.520 1.127 150 1HG GLU 24 2HG GLU 24 -13.844 -9.443 2.197 151 2HG GLU 24 1HG GLU 24 -15.290 -8.862 1.368 152 H CYS 25 H CYS 25 -11.658 -6.489 2.951 153 HA CYS 25 HA CYS 25 -11.487 -3.632 2.629 154 1HB CYS 25 2HB CYS 25 -10.405 -5.458 4.770 155 2HB CYS 25 1HB CYS 25 -9.705 -3.898 4.499 156 H LEU 26 H LEU 26 -10.768 -4.081 0.464 157 HA LEU 26 HA LEU 26 -8.360 -5.743 0.104 158 1HB LEU 26 2HB LEU 26 -9.705 -4.089 -2.053 159 2HB LEU 26 1HB LEU 26 -8.800 -5.556 -2.173 160 HG LEU 26 HG LEU 26 -11.556 -5.420 -0.952 161 1HD1 LEU 26 1HD1 LEU 26 -12.258 -6.696 -2.980 162 2HD1 LEU 26 2HD1 LEU 26 -10.648 -6.540 -3.630 163 3HD1 LEU 26 3HD1 LEU 26 -11.642 -5.111 -3.382 164 1HD2 LEU 26 1HD2 LEU 26 -9.824 -7.854 -1.503 165 2HD2 LEU 26 2HD2 LEU 26 -11.490 -7.876 -0.945 166 3HD2 LEU 26 3HD2 LEU 26 -10.234 -7.219 0.085 167 H CYS 27 H CYS 27 -6.985 -4.441 -1.786 168 HA CYS 27 HA CYS 27 -5.777 -2.201 -0.353 169 1HB CYS 27 2HB CYS 27 -5.018 -3.671 -2.844 170 2HB CYS 27 1HB CYS 27 -4.154 -2.291 -2.265 171 HA PRO 28 HA PRO 28 -7.991 0.671 -3.077 172 1HB PRO 28 2HB PRO 28 -7.008 2.974 -1.957 173 2HB PRO 28 1HB PRO 28 -8.277 2.028 -1.248 174 1HG PRO 28 2HG PRO 28 -5.430 2.174 -0.467 175 2HG PRO 28 1HG PRO 28 -6.869 1.976 0.537 176 1HD PRO 28 2HD PRO 28 -5.154 -0.062 -0.199 177 2HD PRO 28 1HD PRO 28 -6.824 -0.280 0.356 178 H ASP 29 H ASP 29 -4.807 1.271 -2.037 179 HA ASP 29 HA ASP 29 -3.817 2.548 -4.455 180 1HB ASP 29 2HB ASP 29 -1.683 2.592 -3.089 181 2HB ASP 29 1HB ASP 29 -3.060 3.278 -2.251 182 H GLY 30 H GLY 30 -1.324 1.634 -4.798 183 1HA GLY 30 2HA GLY 30 -1.675 -0.712 -6.349 184 2HA GLY 30 1HA GLY 30 -0.202 0.202 -6.191 185 H PHE 31 H PHE 31 -0.403 -0.231 -3.118 186 HA PHE 31 HA PHE 31 1.416 -2.406 -2.938 187 1HB PHE 31 2HB PHE 31 -0.379 -1.189 -0.801 188 2HB PHE 31 1HB PHE 31 1.068 -2.115 -0.559 189 HD1 PHE 31 1HD PHE 31 3.039 -1.238 -2.333 190 HD2 PHE 31 2HD PHE 31 0.008 1.137 -0.519 191 HE1 PHE 31 1HE PHE 31 4.430 0.757 -2.624 192 HE2 PHE 31 2HE PHE 31 1.398 3.124 -0.823 193 HZ PHE 31 HZ PHE 31 3.634 2.916 -1.850 194 H GLN 32 H GLN 32 1.040 -4.267 -1.304 195 HA GLN 32 HA GLN 32 -1.469 -5.656 -2.022 196 1HB GLN 32 2HB GLN 32 -0.079 -7.707 -1.752 197 2HB GLN 32 1HB GLN 32 0.233 -6.794 -3.201 198 1HG GLN 32 2HG GLN 32 1.956 -6.686 -0.679 199 2HG GLN 32 1HG GLN 32 2.261 -7.783 -2.008 200 1HE2 GLN 32 1HE2 GLN 32 4.365 -6.353 -1.652 201 2HE2 GLN 32 2HE2 GLN 32 4.499 -5.020 -2.694 202 H LEU 33 H LEU 33 -2.627 -6.358 -0.535 203 HA LEU 33 HA LEU 33 -1.980 -6.030 2.312 204 1HB LEU 33 2HB LEU 33 -4.062 -5.210 1.220 205 2HB LEU 33 1HB LEU 33 -4.493 -6.843 0.792 206 HG LEU 33 HG LEU 33 -4.239 -5.827 3.659 207 1HD1 LEU 33 1HD1 LEU 33 -6.737 -5.770 3.553 208 2HD1 LEU 33 2HD1 LEU 33 -6.676 -6.239 1.860 209 3HD1 LEU 33 3HD1 LEU 33 -6.049 -4.681 2.364 210 1HD2 LEU 33 1HD2 LEU 33 -5.569 -8.335 2.522 211 2HD2 LEU 33 2HD2 LEU 33 -5.564 -7.833 4.194 212 3HD2 LEU 33 3HD2 LEU 33 -4.074 -8.341 3.445 213 H VAL 34 H VAL 34 -0.831 -7.467 3.160 214 HA VAL 34 HA VAL 34 -1.328 -10.368 2.663 215 HB VAL 34 HB VAL 34 0.868 -9.593 1.874 216 1HG1 VAL 34 1HG1 VAL 34 1.139 -7.667 3.379 217 2HG1 VAL 34 2HG1 VAL 34 2.532 -8.735 3.474 218 3HG1 VAL 34 3HG1 VAL 34 1.327 -8.748 4.754 219 1HG2 VAL 34 1HG2 VAL 34 0.716 -11.891 2.785 220 2HG2 VAL 34 2HG2 VAL 34 1.082 -11.297 4.397 221 3HG2 VAL 34 3HG2 VAL 34 2.290 -11.195 3.128 222 H ALA 35 H ALA 35 -0.851 -7.844 5.038 223 HA ALA 35 HA ALA 35 -0.897 -9.590 7.281 224 1HB ALA 35 1HB ALA 35 -1.158 -6.561 7.067 225 2HB ALA 35 2HB ALA 35 0.335 -7.445 7.341 226 3HB ALA 35 3HB ALA 35 -0.907 -7.415 8.581 227 H GLN 36 H GLN 36 -3.084 -9.801 5.584 228 HA GLN 36 HA GLN 36 -5.347 -10.195 5.559 229 1HB GLN 36 2HB GLN 36 -4.966 -10.020 8.571 230 2HB GLN 36 1HB GLN 36 -6.409 -10.651 7.801 231 1HG GLN 36 2HG GLN 36 -5.012 -12.393 6.666 232 2HG GLN 36 1HG GLN 36 -3.577 -11.755 7.459 233 1HE2 GLN 36 1HE2 GLN 36 -5.797 -14.186 7.732 234 2HE2 GLN 36 2HE2 GLN 36 -5.735 -14.442 9.410 235 H ARG 37 H ARG 37 -4.364 -7.165 6.870 236 HA ARG 37 HA ARG 37 -7.044 -6.070 6.220 237 1HB ARG 37 2HB ARG 37 -5.569 -5.232 8.744 238 2HB ARG 37 1HB ARG 37 -7.060 -4.553 8.143 239 1HG ARG 37 2HG ARG 37 -7.731 -5.962 9.913 240 2HG ARG 37 1HG ARG 37 -8.107 -6.876 8.467 241 1HD ARG 37 2HD ARG 37 -5.953 -8.162 8.769 242 2HD ARG 37 1HD ARG 37 -5.656 -7.230 10.215 243 HE ARG 37 HE ARG 37 -8.242 -8.442 10.378 244 1HH1 ARG 37 2HH1 ARG 37 -4.862 -9.199 10.439 245 2HH1 ARG 37 1HH1 ARG 37 -5.075 -10.607 11.422 246 1HH2 ARG 37 1HH2 ARG 37 -8.537 -10.227 11.630 247 2HH2 ARG 37 2HH2 ARG 37 -7.184 -11.196 12.107 248 H ARG 38 H ARG 38 -3.807 -5.162 7.352 249 HA ARG 38 HA ARG 38 -3.835 -2.604 5.986 250 1HB ARG 38 2HB ARG 38 -1.684 -4.110 7.498 251 2HB ARG 38 1HB ARG 38 -1.514 -2.466 6.946 252 1HG ARG 38 2HG ARG 38 -3.551 -3.544 8.946 253 2HG ARG 38 1HG ARG 38 -2.124 -2.616 9.348 254 1HD ARG 38 2HD ARG 38 -4.450 -1.625 7.670 255 2HD ARG 38 1HD ARG 38 -4.122 -1.179 9.337 256 HE ARG 38 HE ARG 38 -2.740 -0.176 6.961 257 1HH1 ARG 38 2HH1 ARG 38 -2.555 -0.716 10.383 258 2HH1 ARG 38 1HH1 ARG 38 -1.349 0.500 10.624 259 1HH2 ARG 38 1HH2 ARG 38 -1.211 1.365 7.246 260 2HH2 ARG 38 2HH2 ARG 38 -0.573 1.699 8.823 261 H CYS 39 H CYS 39 -3.179 -2.131 4.063 262 HA CYS 39 HA CYS 39 -1.810 -4.166 2.400 263 1HB CYS 39 2HB CYS 39 -3.893 -3.027 1.582 264 2HB CYS 39 1HB CYS 39 -3.016 -1.517 1.584 265 H GLU 40 H GLU 40 0.243 -3.990 1.695 266 HA GLU 40 HA GLU 40 1.616 -1.399 1.621 267 1HB GLU 40 2HB GLU 40 1.868 -2.061 4.040 268 2HB GLU 40 1HB GLU 40 2.596 -3.573 3.541 269 1HG GLU 40 2HG GLU 40 4.512 -2.431 2.548 270 2HG GLU 40 1HG GLU 40 3.790 -0.857 2.754 271 H ASP 41 H ASP 41 3.766 -1.543 0.777 272 HA ASP 41 HA ASP 41 3.912 -3.364 -1.461 273 1HB ASP 41 2HB ASP 41 4.919 -1.003 -1.527 274 2HB ASP 41 1HB ASP 41 6.078 -1.532 -0.359 275 H ILE 42 H ILE 42 5.864 -4.631 -1.875 276 HA ILE 42 HA ILE 42 6.263 -6.594 0.087 277 HB ILE 42 HB ILE 42 6.619 -6.993 -2.355 278 1HG1 ILE 42 2HG1 ILE 42 8.740 -8.272 -2.311 279 2HG1 ILE 42 1HG1 ILE 42 9.223 -7.480 -0.830 280 1HG2 ILE 42 1HG2 ILE 42 9.089 -5.240 -2.070 281 2HG2 ILE 42 2HG2 ILE 42 7.633 -4.813 -2.951 282 3HG2 ILE 42 3HG2 ILE 42 8.638 -6.134 -3.507 283 1HD1 ILE 42 1HD1 ILE 42 8.274 -9.718 -0.368 284 2HD1 ILE 42 2HD1 ILE 42 6.781 -9.278 -1.180 285 3HD1 ILE 42 3HD1 ILE 42 7.230 -8.495 0.327 286 H ASP 43 H ASP 43 8.410 -7.095 1.190 287 HA ASP 43 HA ASP 43 9.637 -4.554 2.164 288 1HB ASP 43 2HB ASP 43 8.517 -6.189 3.755 289 2HB ASP 43 1HB ASP 43 9.806 -7.325 3.401 290 H GLU 44 H GLU 44 11.447 -3.996 1.389 291 HA GLU 44 HA GLU 44 13.216 -5.735 -0.109 292 1HB GLU 44 2HB GLU 44 13.531 -2.837 0.698 293 2HB GLU 44 1HB GLU 44 14.442 -3.666 -0.528 294 1HG GLU 44 2HG GLU 44 12.808 -2.298 -1.541 295 2HG GLU 44 1HG GLU 44 12.333 -3.948 -1.874 296 H CYS 45 H CYS 45 13.050 -4.334 3.061 297 HA CYS 45 HA CYS 45 15.768 -4.418 3.745 298 1HB CYS 45 2HB CYS 45 13.339 -4.614 5.581 299 2HB CYS 45 1HB CYS 45 14.946 -4.187 6.036 300 H GLN 46 H GLN 46 13.236 -6.365 4.927 301 HA GLN 46 HA GLN 46 14.506 -8.401 6.243 302 1HB GLN 46 2HB GLN 46 12.003 -8.554 4.519 303 2HB GLN 46 1HB GLN 46 12.456 -9.765 5.693 304 1HG GLN 46 2HG GLN 46 11.933 -6.826 6.341 305 2HG GLN 46 1HG GLN 46 10.800 -8.133 6.640 306 1HE2 GLN 46 1HE2 GLN 46 11.693 -9.929 8.134 307 2HE2 GLN 46 2HE2 GLN 46 12.716 -9.443 9.398 308 H ASP 47 H ASP 47 13.814 -8.295 2.802 309 HA ASP 47 HA ASP 47 15.019 -10.824 2.280 310 1HB ASP 47 2HB ASP 47 13.171 -9.976 0.871 311 2HB ASP 47 1HB ASP 47 14.160 -8.613 0.374 312 HA PRO 48 HA PRO 48 19.079 -8.828 2.076 313 1HB PRO 48 2HB PRO 48 20.610 -11.034 1.849 314 2HB PRO 48 1HB PRO 48 19.764 -10.680 3.334 315 1HG PRO 48 2HG PRO 48 18.997 -12.589 1.168 316 2HG PRO 48 1HG PRO 48 18.914 -12.792 2.925 317 1HD PRO 48 2HD PRO 48 16.772 -12.111 1.332 318 2HD PRO 48 1HD PRO 48 16.891 -11.764 3.068 319 H ASP 49 H ASP 49 18.404 -7.835 0.063 320 HA ASP 49 HA ASP 49 20.000 -8.827 -2.214 321 1HB ASP 49 2HB ASP 49 17.760 -9.747 -2.595 322 2HB ASP 49 1HB ASP 49 17.050 -8.163 -2.306 323 H THR 50 H THR 50 17.650 -6.323 -1.419 324 HA THR 50 HA THR 50 18.837 -4.283 -2.990 325 HB THR 50 HB THR 50 17.220 -2.807 -1.678 326 HG1 THR 50 1HG THR 50 16.589 -3.565 0.164 327 1HG2 THR 50 1HG2 THR 50 16.398 -4.265 -3.624 328 2HG2 THR 50 2HG2 THR 50 15.170 -4.048 -2.398 329 3HG2 THR 50 3HG2 THR 50 16.071 -5.550 -2.473 330 H CYS 51 H CYS 51 18.587 -3.834 0.552 331 HA CYS 51 HA CYS 51 21.045 -2.256 0.453 332 1HB CYS 51 2HB CYS 51 19.436 -3.142 2.842 333 2HB CYS 51 1HB CYS 51 20.501 -1.769 2.693 334 H SER 52 H SER 52 23.086 -2.876 1.435 335 HA SER 52 HA SER 52 23.697 -5.649 1.397 336 1HB SER 52 2HB SER 52 25.195 -3.297 2.649 337 2HB SER 52 1HB SER 52 25.889 -4.882 2.290 338 HG SER 52 HG SER 52 25.893 -3.040 0.629 339 H GLN 53 H GLN 53 22.959 -3.402 3.975 340 HA GLN 53 HA GLN 53 22.501 -5.674 5.846 341 1HB GLN 53 2HB GLN 53 24.040 -3.121 6.467 342 2HB GLN 53 1HB GLN 53 23.509 -4.281 7.671 343 1HG GLN 53 2HG GLN 53 25.356 -4.904 5.355 344 2HG GLN 53 1HG GLN 53 25.901 -4.575 6.995 345 1HE2 GLN 53 1HE2 GLN 53 24.338 -6.057 8.619 346 2HE2 GLN 53 2HE2 GLN 53 24.357 -7.703 8.201 347 H LEU 54 H LEU 54 22.375 -2.269 6.812 348 HA LEU 54 HA LEU 54 19.696 -2.630 7.682 349 1HB LEU 54 2HB LEU 54 21.276 -0.131 7.303 350 2HB LEU 54 1HB LEU 54 19.703 -0.227 8.070 351 HG LEU 54 HG LEU 54 22.324 -1.309 9.103 352 1HD1 LEU 54 1HD1 LEU 54 21.688 0.308 10.900 353 2HD1 LEU 54 2HD1 LEU 54 20.187 0.643 10.043 354 3HD1 LEU 54 3HD1 LEU 54 21.713 1.114 9.326 355 1HD2 LEU 54 1HD2 LEU 54 20.455 -2.937 9.559 356 2HD2 LEU 54 2HD2 LEU 54 19.516 -1.610 10.240 357 3HD2 LEU 54 3HD2 LEU 54 21.014 -2.126 11.016 358 H CYS 55 H CYS 55 18.060 -1.502 7.379 359 HA CYS 55 HA CYS 55 17.439 0.029 4.987 360 1HB CYS 55 2HB CYS 55 17.497 -2.147 3.967 361 2HB CYS 55 1HB CYS 55 16.584 -2.897 5.184 362 H VAL 56 H VAL 56 14.985 0.222 4.757 363 HA VAL 56 HA VAL 56 13.411 0.114 7.215 364 HB VAL 56 HB VAL 56 14.711 2.161 7.660 365 1HG1 VAL 56 1HG1 VAL 56 15.421 2.791 5.384 366 2HG1 VAL 56 2HG1 VAL 56 14.672 4.142 6.203 367 3HG1 VAL 56 3HG1 VAL 56 13.785 3.277 4.970 368 1HG2 VAL 56 1HG2 VAL 56 11.889 2.856 6.753 369 2HG2 VAL 56 2HG2 VAL 56 12.870 3.821 7.844 370 3HG2 VAL 56 3HG2 VAL 56 12.348 2.215 8.323 371 H ASN 57 H ASN 57 11.908 -0.953 6.247 372 HA ASN 57 HA ASN 57 10.815 -0.344 3.608 373 1HB ASN 57 2HB ASN 57 11.196 -2.685 4.335 374 2HB ASN 57 1HB ASN 57 10.049 -2.424 5.644 375 1HD2 ASN 57 1HD2 ASN 57 8.320 -3.741 5.108 376 2HD2 ASN 57 2HD2 ASN 57 7.489 -3.665 3.630 377 H LEU 58 H LEU 58 8.704 -0.224 3.149 378 HA LEU 58 HA LEU 58 6.376 0.227 4.619 379 1HB LEU 58 2HB LEU 58 6.088 2.659 4.682 380 2HB LEU 58 1HB LEU 58 7.496 2.254 5.597 381 HG LEU 58 HG LEU 58 7.711 3.169 2.710 382 1HD1 LEU 58 1HD1 LEU 58 7.947 4.803 5.311 383 2HD1 LEU 58 2HD1 LEU 58 6.626 4.954 4.165 384 3HD1 LEU 58 3HD1 LEU 58 8.249 5.428 3.697 385 1HD2 LEU 58 1HD2 LEU 58 9.992 3.743 3.406 386 2HD2 LEU 58 2HD2 LEU 58 9.688 2.039 3.607 387 3HD2 LEU 58 3HD2 LEU 58 9.681 3.106 5.006 388 H GLU 59 H GLU 59 5.338 2.335 3.134 389 HA GLU 59 HA GLU 59 4.715 1.008 0.650 390 1HB GLU 59 2HB GLU 59 3.756 3.489 2.064 391 2HB GLU 59 1HB GLU 59 3.278 3.300 0.420 392 1HG GLU 59 2HG GLU 59 1.475 2.342 1.665 393 2HG GLU 59 1HG GLU 59 2.400 0.975 1.128 394 H GLY 60 H GLY 60 6.300 0.876 -0.539 395 1HA GLY 60 2HA GLY 60 7.726 1.287 -2.265 396 2HA GLY 60 1HA GLY 60 6.660 2.628 -2.631 397 H GLY 61 H GLY 61 7.480 3.498 0.235 398 1HA GLY 61 2HA GLY 61 9.652 5.293 -0.608 399 2HA GLY 61 1HA GLY 61 8.739 5.380 0.897 400 H TYR 62 H TYR 62 9.933 2.340 0.199 401 HA TYR 62 HA TYR 62 11.510 2.174 2.538 402 1HB TYR 62 2HB TYR 62 12.286 0.011 1.751 403 2HB TYR 62 1HB TYR 62 10.640 0.200 1.166 404 HD1 TYR 62 1HD TYR 62 10.254 0.784 -1.294 405 HD2 TYR 62 2HD TYR 62 14.140 0.010 0.274 406 HE1 TYR 62 1HE TYR 62 11.142 0.540 -3.563 407 HE2 TYR 62 2HE TYR 62 15.023 -0.232 -1.980 408 HH TYR 62 HH TYR 62 14.115 0.794 -4.428 409 H LYS 63 H LYS 63 13.686 2.361 3.015 410 HA LYS 63 HA LYS 63 15.529 3.175 0.871 411 1HB LYS 63 2HB LYS 63 15.022 4.533 3.486 412 2HB LYS 63 1HB LYS 63 16.370 4.873 2.466 413 1HG LYS 63 2HG LYS 63 14.741 5.508 0.611 414 2HG LYS 63 1HG LYS 63 13.429 5.240 1.733 415 1HD LYS 63 2HD LYS 63 15.583 7.356 2.065 416 2HD LYS 63 1HD LYS 63 13.967 7.649 1.470 417 1HE LYS 63 2HE LYS 63 14.061 8.304 3.816 418 2HE LYS 63 1HE LYS 63 13.041 6.884 3.681 419 1HZ LYS 63 1HZ LYS 63 15.087 7.174 5.390 420 2HZ LYS 63 2HZ LYS 63 15.807 6.272 4.146 421 3HZ LYS 63 3HZ LYS 63 14.409 5.691 4.919 422 H CYS 64 H CYS 64 17.720 3.180 1.622 423 HA CYS 64 HA CYS 64 18.284 0.897 3.416 424 1HB CYS 64 2HB CYS 64 19.967 2.256 1.340 425 2HB CYS 64 1HB CYS 64 20.482 0.947 2.337 426 H GLN 65 H GLN 65 20.182 0.995 4.644 427 HA GLN 65 HA GLN 65 21.238 3.627 5.544 428 1HB GLN 65 2HB GLN 65 20.255 1.603 7.592 429 2HB GLN 65 1HB GLN 65 20.781 3.224 7.854 430 1HG GLN 65 2HG GLN 65 18.834 4.191 6.761 431 2HG GLN 65 1HG GLN 65 18.234 2.595 6.327 432 1HE2 GLN 65 1HE2 GLN 65 18.769 4.791 9.058 433 2HE2 GLN 65 2HE2 GLN 65 17.784 3.940 10.148 434 H CYS 66 H CYS 66 22.835 2.650 7.560 435 HA CYS 66 HA CYS 66 24.388 0.456 6.293 436 1HB CYS 66 2HB CYS 66 25.544 2.811 7.704 437 2HB CYS 66 1HB CYS 66 26.317 1.599 6.885 438 H GLU 67 H GLU 67 25.503 -0.805 7.526 439 HA GLU 67 HA GLU 67 24.587 -1.170 10.317 440 1HB GLU 67 2HB GLU 67 24.796 -3.042 8.602 441 2HB GLU 67 1HB GLU 67 26.527 -2.899 8.699 442 1HG GLU 67 2HG GLU 67 24.649 -3.647 10.990 443 2HG GLU 67 1HG GLU 67 25.700 -4.750 10.132 444 H GLU 68 H GLU 68 25.621 0.828 10.945 445 HA GLU 68 HA GLU 68 27.281 2.133 11.890 446 1HB GLU 68 2HB GLU 68 28.263 -0.645 12.660 447 2HB GLU 68 1HB GLU 68 28.821 0.839 13.404 448 1HG GLU 68 2HG GLU 68 26.469 1.345 14.111 449 2HG GLU 68 1HG GLU 68 25.922 -0.141 13.352 450 H GLY 69 H GLY 69 29.442 -0.511 11.131 451 1HA GLY 69 2HA GLY 69 31.636 1.044 10.378 452 2HA GLY 69 1HA GLY 69 31.453 -0.668 10.039 453 H PHE 70 H PHE 70 28.883 0.041 8.511 454 HA PHE 70 HA PHE 70 30.167 0.255 5.991 455 1HB PHE 70 2HB PHE 70 27.336 0.072 6.907 456 2HB PHE 70 1HB PHE 70 27.678 0.324 5.199 457 HD1 PHE 70 1HD PHE 70 26.707 -1.709 4.446 458 HD2 PHE 70 2HD PHE 70 29.672 -1.876 7.500 459 HE1 PHE 70 1HE PHE 70 26.861 -4.133 4.189 460 HE2 PHE 70 2HE PHE 70 29.806 -4.299 7.247 461 HZ PHE 70 HZ PHE 70 28.403 -5.441 5.583 462 H GLN 71 H GLN 71 29.706 1.841 4.396 463 HA GLN 71 HA GLN 71 28.823 4.467 5.319 464 1HB GLN 71 2HB GLN 71 31.457 3.619 4.192 465 2HB GLN 71 1HB GLN 71 30.881 5.177 3.720 466 1HG GLN 71 2HG GLN 71 31.201 4.231 6.620 467 2HG GLN 71 1HG GLN 71 32.321 5.305 5.785 468 1HE2 GLN 71 1HE2 GLN 71 30.981 6.207 8.100 469 2HE2 GLN 71 2HE2 GLN 71 29.859 7.406 7.672 470 H LEU 72 H LEU 72 28.902 6.012 3.568 471 HA LEU 72 HA LEU 72 27.035 5.049 1.515 472 1HB LEU 72 2HB LEU 72 26.766 7.281 2.628 473 2HB LEU 72 1HB LEU 72 28.250 7.820 1.867 474 HG LEU 72 HG LEU 72 27.193 7.253 -0.386 475 1HD1 LEU 72 1HD1 LEU 72 25.455 5.675 0.375 476 2HD1 LEU 72 2HD1 LEU 72 24.734 7.019 -0.485 477 3HD1 LEU 72 3HD1 LEU 72 24.660 6.960 1.265 478 1HD2 LEU 72 1HD2 LEU 72 27.236 9.583 0.473 479 2HD2 LEU 72 2HD2 LEU 72 25.726 9.302 1.332 480 3HD2 LEU 72 3HD2 LEU 72 25.755 9.289 -0.427 481 H ASP 73 H ASP 73 28.028 3.825 0.067 482 HA ASP 73 HA ASP 73 30.658 4.384 -1.045 483 1HB ASP 73 2HB ASP 73 29.737 2.064 -0.879 484 2HB ASP 73 1HB ASP 73 28.492 2.465 -2.050 485 HA PRO 74 HA PRO 74 29.018 7.273 -4.065 486 1HB PRO 74 2HB PRO 74 31.214 7.720 -5.542 487 2HB PRO 74 1HB PRO 74 31.121 8.261 -3.884 488 1HG PRO 74 2HG PRO 74 32.423 5.780 -4.942 489 2HG PRO 74 1HG PRO 74 33.053 6.982 -3.802 490 1HD PRO 74 2HD PRO 74 31.972 4.636 -2.997 491 2HD PRO 74 1HD PRO 74 31.877 6.115 -2.024 492 H HIS 75 H HIS 75 28.760 7.507 -6.357 493 HA HIS 75 HA HIS 75 28.043 6.783 -8.450 494 1HB HIS 75 2HB HIS 75 30.065 4.536 -8.000 495 2HB HIS 75 1HB HIS 75 29.347 4.982 -9.539 496 HD1 HIS 75 1HD HIS 75 31.703 6.336 -7.001 497 HD2 HIS 75 2HD HIS 75 30.473 7.236 -10.788 498 HE1 HIS 75 1HE HIS 75 33.217 8.105 -7.822 499 H THR 76 H THR 76 27.365 5.259 -5.756 500 HA THR 76 HA THR 76 25.306 3.486 -6.949 501 HB THR 76 HB THR 76 25.849 1.751 -5.152 502 HG1 THR 76 1HG THR 76 26.844 3.050 -3.719 503 1HG2 THR 76 1HG2 THR 76 27.987 0.907 -6.135 504 2HG2 THR 76 2HG2 THR 76 28.348 2.487 -6.807 505 3HG2 THR 76 3HG2 THR 76 27.025 1.535 -7.464 506 H LYS 77 H LYS 77 26.613 5.085 -4.234 507 HA LYS 77 HA LYS 77 25.714 6.204 -2.386 508 1HB LYS 77 2HB LYS 77 23.235 6.019 -3.937 509 2HB LYS 77 1HB LYS 77 23.430 7.025 -2.527 510 1HG LYS 77 2HG LYS 77 25.310 8.237 -3.714 511 2HG LYS 77 1HG LYS 77 25.018 7.263 -5.139 512 1HD LYS 77 2HD LYS 77 23.932 9.439 -5.404 513 2HD LYS 77 1HD LYS 77 22.712 8.186 -5.310 514 1HE LYS 77 2HE LYS 77 22.314 8.747 -2.903 515 2HE LYS 77 1HE LYS 77 23.562 9.983 -2.990 516 1HZ LYS 77 1HZ LYS 77 21.076 9.906 -4.598 517 2HZ LYS 77 2HZ LYS 77 22.272 11.111 -4.673 518 3HZ LYS 77 3HZ LYS 77 21.365 10.902 -3.252 519 H ALA 78 H ALA 78 25.600 3.218 -2.857 520 HA ALA 78 HA ALA 78 23.446 2.364 -1.001 521 1HB ALA 78 1HB ALA 78 24.057 0.083 -1.774 522 2HB ALA 78 2HB ALA 78 25.373 0.760 -2.724 523 3HB ALA 78 3HB ALA 78 23.709 1.136 -3.139 524 H CYS 79 H CYS 79 23.885 1.348 0.919 525 HA CYS 79 HA CYS 79 26.440 1.975 2.144 526 1HB CYS 79 2HB CYS 79 24.019 0.566 3.171 527 2HB CYS 79 1HB CYS 79 25.453 0.746 4.133 528 H LYS 80 H LYS 80 28.032 0.761 2.694 529 HA LYS 80 HA LYS 80 27.933 -2.156 2.775 530 1HB LYS 80 2HB LYS 80 29.696 -2.495 1.356 531 2HB LYS 80 1HB LYS 80 28.301 -1.950 0.419 532 1HG LYS 80 2HG LYS 80 29.288 0.404 0.430 533 2HG LYS 80 1HG LYS 80 30.741 -0.227 1.177 534 1HD LYS 80 2HD LYS 80 29.679 -1.044 -1.554 535 2HD LYS 80 1HD LYS 80 31.034 0.025 -1.254 536 1HE LYS 80 2HE LYS 80 32.262 -1.814 -0.113 537 2HE LYS 80 1HE LYS 80 30.923 -2.908 -0.434 538 1HZ LYS 80 1HZ LYS 80 33.028 -2.473 -2.059 539 2HZ LYS 80 2HZ LYS 80 31.814 -1.524 -2.771 540 3HZ LYS 80 3HZ LYS 80 31.554 -3.183 -2.514 541 H ALA 81 H ALA 81 30.043 -2.993 3.621 542 HA ALA 81 HA ALA 81 31.178 -1.651 5.769 543 1HB ALA 81 1HB ALA 81 31.556 -4.047 5.298 544 2HB ALA 81 2HB ALA 81 33.086 -3.227 5.564 545 3HB ALA 81 3HB ALA 81 32.575 -3.630 3.932 546 H VAL 82 H VAL 82 32.268 0.172 5.964 547 HA VAL 82 HA VAL 82 33.194 1.823 3.971 548 HB VAL 82 HB VAL 82 32.942 2.489 6.338 549 1HG1 VAL 82 1HG1 VAL 82 33.946 0.448 7.408 550 2HG1 VAL 82 2HG1 VAL 82 34.697 1.913 8.008 551 3HG1 VAL 82 3HG1 VAL 82 35.523 0.919 6.819 552 1HG2 VAL 82 1HG2 VAL 82 35.753 3.013 5.297 553 2HG2 VAL 82 2HG2 VAL 82 34.931 3.944 6.536 554 3HG2 VAL 82 3HG2 VAL 82 34.315 3.935 4.893 Start of MODEL 10 1 H GLY 1 H GLY 1 -22.855 3.038 -1.595 2 1HA GLY 1 2HA GLY 1 -24.677 5.035 -0.749 3 2HA GLY 1 1HA GLY 1 -25.106 3.349 -1.042 4 H THR 2 H THR 2 -24.007 1.909 0.797 5 HA THR 2 HA THR 2 -25.458 2.303 3.135 6 HB THR 2 HB THR 2 -24.703 0.108 2.459 7 HG1 THR 2 1HG THR 2 -24.908 0.814 4.743 8 1HG2 THR 2 1HG2 THR 2 -22.301 -0.515 2.744 9 2HG2 THR 2 2HG2 THR 2 -21.929 1.117 3.277 10 3HG2 THR 2 3HG2 THR 2 -22.400 0.824 1.610 11 H ASN 3 H ASN 3 -24.520 2.297 5.315 12 HA ASN 3 HA ASN 3 -22.623 4.558 5.602 13 1HB ASN 3 2HB ASN 3 -24.959 4.656 6.639 14 2HB ASN 3 1HB ASN 3 -24.540 3.278 7.636 15 1HD2 ASN 3 1HD2 ASN 3 -23.490 3.686 9.610 16 2HD2 ASN 3 2HD2 ASN 3 -22.916 5.211 10.086 17 H GLU 4 H GLU 4 -21.824 1.954 5.027 18 HA GLU 4 HA GLU 4 -20.313 1.027 7.386 19 1HB GLU 4 2HB GLU 4 -20.549 0.028 4.506 20 2HB GLU 4 1HB GLU 4 -19.635 -0.776 5.757 21 1HG GLU 4 2HG GLU 4 -21.625 -1.098 7.125 22 2HG GLU 4 1HG GLU 4 -22.609 -0.138 6.053 23 H CYS 5 H CYS 5 -19.966 2.594 4.266 24 HA CYS 5 HA CYS 5 -17.125 2.775 4.387 25 1HB CYS 5 2HB CYS 5 -19.176 4.187 2.669 26 2HB CYS 5 1HB CYS 5 -17.463 4.262 2.399 27 H LEU 6 H LEU 6 -19.904 4.771 4.867 28 HA LEU 6 HA LEU 6 -18.796 7.261 5.412 29 1HB LEU 6 2HB LEU 6 -21.283 5.983 6.553 30 2HB LEU 6 1HB LEU 6 -20.960 7.694 6.538 31 HG LEU 6 HG LEU 6 -21.303 5.873 4.093 32 1HD1 LEU 6 1HD1 LEU 6 -23.435 6.436 5.254 33 2HD1 LEU 6 2HD1 LEU 6 -23.350 7.231 3.693 34 3HD1 LEU 6 3HD1 LEU 6 -23.036 8.140 5.165 35 1HD2 LEU 6 1HD2 LEU 6 -21.178 7.948 2.719 36 2HD2 LEU 6 2HD2 LEU 6 -19.674 7.714 3.579 37 3HD2 LEU 6 3HD2 LEU 6 -20.835 8.898 4.157 38 H ASP 7 H ASP 7 -19.563 4.582 7.512 39 HA ASP 7 HA ASP 7 -18.299 5.883 9.892 40 1HB ASP 7 2HB ASP 7 -20.618 4.735 10.011 41 2HB ASP 7 1HB ASP 7 -19.778 3.241 9.620 42 H ASN 8 H ASN 8 -17.449 3.508 11.050 43 HA ASN 8 HA ASN 8 -14.851 3.158 10.205 44 1HB ASN 8 2HB ASN 8 -16.647 1.195 11.421 45 2HB ASN 8 1HB ASN 8 -14.904 1.060 11.476 46 1HD2 ASN 8 1HD2 ASN 8 -13.751 2.921 12.606 47 2HD2 ASN 8 2HD2 ASN 8 -14.543 3.701 13.889 48 H ASN 9 H ASN 9 -14.233 2.569 8.213 49 HA ASN 9 HA ASN 9 -15.589 1.631 6.059 50 1HB ASN 9 2HB ASN 9 -13.244 2.374 6.111 51 2HB ASN 9 1HB ASN 9 -12.797 0.845 6.864 52 1HD2 ASN 9 1HD2 ASN 9 -12.914 -1.088 5.617 53 2HD2 ASN 9 2HD2 ASN 9 -12.888 -1.040 3.936 54 H GLY 10 H GLY 10 -17.197 0.147 6.715 55 1HA GLY 10 2HA GLY 10 -18.163 -1.948 6.911 56 2HA GLY 10 1HA GLY 10 -16.718 -2.535 6.104 57 H GLY 11 H GLY 11 -15.886 -0.914 8.864 58 1HA GLY 11 2HA GLY 11 -16.236 -2.006 11.199 59 2HA GLY 11 1HA GLY 11 -15.435 -3.387 10.440 60 H CYS 12 H CYS 12 -13.672 -1.837 8.800 61 HA CYS 12 HA CYS 12 -11.666 -1.012 10.811 62 1HB CYS 12 2HB CYS 12 -10.105 -1.471 9.073 63 2HB CYS 12 1HB CYS 12 -11.230 -2.808 9.139 64 H SER 13 H SER 13 -10.478 0.249 8.193 65 HA SER 13 HA SER 13 -12.028 2.635 7.714 66 1HB SER 13 2HB SER 13 -10.346 4.207 8.733 67 2HB SER 13 1HB SER 13 -11.055 3.148 9.960 68 HG SER 13 HG SER 13 -8.645 2.654 8.535 69 H HIS 14 H HIS 14 -10.905 0.528 6.252 70 HA HIS 14 HA HIS 14 -8.877 1.851 4.527 71 1HB HIS 14 2HB HIS 14 -9.430 -1.063 5.124 72 2HB HIS 14 1HB HIS 14 -8.333 -0.507 3.895 73 HD1 HIS 14 1HD HIS 14 -6.042 -0.182 4.750 74 HD2 HIS 14 2HD HIS 14 -8.682 0.147 7.840 75 HE1 HIS 14 1HE HIS 14 -4.689 0.134 6.793 76 H VAL 15 H VAL 15 -10.266 -0.972 3.186 77 HA VAL 15 HA VAL 15 -11.765 0.671 1.182 78 HB VAL 15 HB VAL 15 -10.570 -2.103 0.921 79 1HG1 VAL 15 1HG1 VAL 15 -11.188 -1.919 -1.501 80 2HG1 VAL 15 2HG1 VAL 15 -11.976 -0.382 -1.187 81 3HG1 VAL 15 3HG1 VAL 15 -12.619 -1.860 -0.499 82 1HG2 VAL 15 1HG2 VAL 15 -9.035 -1.043 -0.664 83 2HG2 VAL 15 2HG2 VAL 15 -8.870 -0.340 0.941 84 3HG2 VAL 15 3HG2 VAL 15 -9.736 0.533 -0.319 85 H CYS 16 H CYS 16 -13.857 0.708 1.729 86 HA CYS 16 HA CYS 16 -15.197 -1.533 3.006 87 1HB CYS 16 2HB CYS 16 -17.150 -0.062 2.824 88 2HB CYS 16 1HB CYS 16 -15.812 0.820 3.485 89 H ASN 17 H ASN 17 -14.667 -3.155 1.436 90 HA ASN 17 HA ASN 17 -15.856 -2.862 -1.269 91 1HB ASN 17 2HB ASN 17 -13.642 -3.669 -1.240 92 2HB ASN 17 1HB ASN 17 -13.882 -4.778 0.061 93 1HD2 ASN 17 1HD2 ASN 17 -14.326 -6.912 -0.646 94 2HD2 ASN 17 2HD2 ASN 17 -14.804 -7.337 -2.212 95 H ASP 18 H ASP 18 -17.681 -2.631 -0.431 96 HA ASP 18 HA ASP 18 -19.270 -4.059 1.322 97 1HB ASP 18 2HB ASP 18 -19.841 -1.850 0.357 98 2HB ASP 18 1HB ASP 18 -20.182 -2.605 -1.190 99 H LEU 19 H LEU 19 -19.039 -6.191 1.172 100 HA LEU 19 HA LEU 19 -19.552 -7.816 -1.108 101 1HB LEU 19 2HB LEU 19 -18.189 -8.222 1.121 102 2HB LEU 19 1HB LEU 19 -19.747 -8.540 1.826 103 HG LEU 19 HG LEU 19 -20.141 -10.408 0.242 104 1HD1 LEU 19 1HD1 LEU 19 -17.264 -9.760 -0.525 105 2HD1 LEU 19 2HD1 LEU 19 -18.647 -9.510 -1.573 106 3HD1 LEU 19 3HD1 LEU 19 -18.188 -11.138 -1.119 107 1HD2 LEU 19 1HD2 LEU 19 -18.511 -11.900 1.370 108 2HD2 LEU 19 2HD2 LEU 19 -19.177 -10.725 2.483 109 3HD2 LEU 19 3HD2 LEU 19 -17.559 -10.500 1.850 110 H LYS 20 H LYS 20 -21.392 -9.556 -0.851 111 HA LYS 20 HA LYS 20 -23.900 -8.097 -0.664 112 1HB LYS 20 2HB LYS 20 -24.900 -10.280 -1.302 113 2HB LYS 20 1HB LYS 20 -23.534 -9.899 -2.330 114 1HG LYS 20 2HG LYS 20 -22.085 -11.423 -0.975 115 2HG LYS 20 1HG LYS 20 -23.476 -11.841 0.019 116 1HD LYS 20 2HD LYS 20 -24.679 -12.687 -1.971 117 2HD LYS 20 1HD LYS 20 -23.304 -12.279 -2.984 118 1HE LYS 20 2HE LYS 20 -21.875 -13.849 -1.679 119 2HE LYS 20 1HE LYS 20 -23.254 -14.255 -0.662 120 1HZ LYS 20 1HZ LYS 20 -24.408 -15.096 -2.572 121 2HZ LYS 20 2HZ LYS 20 -22.896 -15.857 -2.437 122 3HZ LYS 20 3HZ LYS 20 -23.133 -14.638 -3.596 123 H ILE 21 H ILE 21 -22.222 -10.604 1.182 124 HA ILE 21 HA ILE 21 -23.603 -9.850 3.660 125 HB ILE 21 HB ILE 21 -23.450 -12.663 2.488 126 1HG1 ILE 21 2HG1 ILE 21 -25.895 -10.930 3.117 127 2HG1 ILE 21 1HG1 ILE 21 -25.310 -11.316 1.512 128 1HG2 ILE 21 1HG2 ILE 21 -23.032 -12.655 4.919 129 2HG2 ILE 21 2HG2 ILE 21 -24.599 -13.366 4.602 130 3HG2 ILE 21 3HG2 ILE 21 -24.490 -11.707 5.185 131 1HD1 ILE 21 1HD1 ILE 21 -27.203 -12.756 2.082 132 2HD1 ILE 21 2HD1 ILE 21 -26.364 -13.367 3.491 133 3HD1 ILE 21 3HD1 ILE 21 -25.745 -13.715 1.884 134 H GLY 22 H GLY 22 -21.848 -9.296 4.866 135 1HA GLY 22 2HA GLY 22 -20.029 -9.821 6.252 136 2HA GLY 22 1HA GLY 22 -19.671 -11.167 5.199 137 H TYR 23 H TYR 23 -20.117 -7.800 4.717 138 HA TYR 23 HA TYR 23 -18.586 -6.947 2.681 139 1HB TYR 23 2HB TYR 23 -18.483 -5.438 5.273 140 2HB TYR 23 1HB TYR 23 -18.490 -4.793 3.647 141 HD1 TYR 23 1HD TYR 23 -20.603 -5.310 2.149 142 HD2 TYR 23 2HD TYR 23 -20.540 -5.768 6.370 143 HE1 TYR 23 1HE TYR 23 -23.043 -5.250 2.186 144 HE2 TYR 23 2HE TYR 23 -22.990 -5.710 6.412 145 HH TYR 23 HH TYR 23 -24.861 -6.158 4.886 146 H GLU 24 H GLU 24 -16.557 -6.007 2.311 147 HA GLU 24 HA GLU 24 -14.370 -7.224 3.885 148 1HB GLU 24 2HB GLU 24 -14.491 -6.301 1.056 149 2HB GLU 24 1HB GLU 24 -13.122 -7.055 1.808 150 1HG GLU 24 2HG GLU 24 -15.854 -8.303 1.367 151 2HG GLU 24 1HG GLU 24 -14.411 -8.650 0.435 152 H CYS 25 H CYS 25 -12.440 -6.276 3.939 153 HA CYS 25 HA CYS 25 -12.229 -3.380 3.939 154 1HB CYS 25 2HB CYS 25 -12.479 -4.126 6.292 155 2HB CYS 25 1HB CYS 25 -11.215 -5.317 6.065 156 H LEU 26 H LEU 26 -11.315 -3.900 1.802 157 HA LEU 26 HA LEU 26 -8.897 -5.498 1.623 158 1HB LEU 26 2HB LEU 26 -9.925 -3.566 -0.478 159 2HB LEU 26 1HB LEU 26 -8.987 -5.007 -0.675 160 HG LEU 26 HG LEU 26 -11.858 -5.023 0.249 161 1HD1 LEU 26 1HD1 LEU 26 -10.651 -5.849 -2.419 162 2HD1 LEU 26 2HD1 LEU 26 -11.696 -4.466 -2.136 163 3HD1 LEU 26 3HD1 LEU 26 -12.316 -6.093 -1.954 164 1HD2 LEU 26 1HD2 LEU 26 -11.757 -7.469 0.008 165 2HD2 LEU 26 2HD2 LEU 26 -10.640 -6.911 1.237 166 3HD2 LEU 26 3HD2 LEU 26 -10.040 -7.376 -0.350 167 H CYS 27 H CYS 27 -7.299 -4.240 0.021 168 HA CYS 27 HA CYS 27 -5.785 -2.459 1.698 169 1HB CYS 27 2HB CYS 27 -5.324 -3.638 -0.996 170 2HB CYS 27 1HB CYS 27 -4.210 -2.517 -0.279 171 HA PRO 28 HA PRO 28 -7.405 1.387 -0.037 172 1HB PRO 28 2HB PRO 28 -4.891 2.443 1.236 173 2HB PRO 28 1HB PRO 28 -6.530 3.013 1.397 174 1HG PRO 28 2HG PRO 28 -5.432 1.661 3.365 175 2HG PRO 28 1HG PRO 28 -7.124 1.365 2.919 176 1HD PRO 28 2HD PRO 28 -4.692 -0.263 2.283 177 2HD PRO 28 1HD PRO 28 -6.318 -0.788 2.776 178 H ASP 29 H ASP 29 -3.905 1.037 0.086 179 HA ASP 29 HA ASP 29 -3.592 2.073 -2.652 180 1HB ASP 29 2HB ASP 29 -1.241 2.263 -2.007 181 2HB ASP 29 1HB ASP 29 -2.239 3.010 -0.789 182 H GLY 30 H GLY 30 -1.292 0.864 -3.406 183 1HA GLY 30 2HA GLY 30 -2.124 -1.503 -4.625 184 2HA GLY 30 1HA GLY 30 -0.490 -0.906 -4.609 185 H PHE 31 H PHE 31 -0.373 -1.151 -1.610 186 HA PHE 31 HA PHE 31 0.997 -3.558 -1.314 187 1HB PHE 31 2HB PHE 31 -0.510 -1.833 0.643 188 2HB PHE 31 1HB PHE 31 0.526 -3.149 1.136 189 HD1 PHE 31 1HD PHE 31 1.721 -1.631 -1.985 190 HD2 PHE 31 2HD PHE 31 1.782 -1.183 2.275 191 HE1 PHE 31 1HE PHE 31 3.672 -0.253 -2.169 192 HE2 PHE 31 2HE PHE 31 3.753 0.184 2.068 193 HZ PHE 31 HZ PHE 31 4.719 0.658 -0.192 194 H GLN 32 H GLN 32 0.519 -5.203 0.452 195 HA GLN 32 HA GLN 32 -1.821 -6.777 -0.422 196 1HB GLN 32 2HB GLN 32 0.689 -7.498 1.118 197 2HB GLN 32 1HB GLN 32 -0.546 -8.627 0.617 198 1HG GLN 32 2HG GLN 32 -0.107 -8.027 -1.785 199 2HG GLN 32 1HG GLN 32 1.136 -6.896 -1.267 200 1HE2 GLN 32 1HE2 GLN 32 0.488 -10.210 -1.984 201 2HE2 GLN 32 2HE2 GLN 32 2.005 -10.825 -1.535 202 H LEU 33 H LEU 33 -3.384 -7.513 0.996 203 HA LEU 33 HA LEU 33 -3.617 -6.058 3.533 204 1HB LEU 33 2HB LEU 33 -5.586 -6.691 1.957 205 2HB LEU 33 1HB LEU 33 -5.389 -8.338 2.509 206 HG LEU 33 HG LEU 33 -5.679 -7.460 4.906 207 1HD1 LEU 33 1HD1 LEU 33 -6.573 -4.947 3.429 208 2HD1 LEU 33 2HD1 LEU 33 -5.160 -5.065 4.462 209 3HD1 LEU 33 3HD1 LEU 33 -6.759 -5.222 5.149 210 1HD2 LEU 33 1HD2 LEU 33 -8.007 -7.053 3.001 211 2HD2 LEU 33 2HD2 LEU 33 -8.144 -7.276 4.735 212 3HD2 LEU 33 3HD2 LEU 33 -7.525 -8.579 3.735 213 H VAL 34 H VAL 34 -1.780 -6.835 4.591 214 HA VAL 34 HA VAL 34 -1.438 -9.706 5.094 215 HB VAL 34 HB VAL 34 0.178 -7.290 6.003 216 1HG1 VAL 34 1HG1 VAL 34 1.949 -8.950 6.556 217 2HG1 VAL 34 2HG1 VAL 34 0.863 -10.264 6.135 218 3HG1 VAL 34 3HG1 VAL 34 0.521 -9.248 7.525 219 1HG2 VAL 34 1HG2 VAL 34 0.673 -9.319 3.778 220 2HG2 VAL 34 2HG2 VAL 34 1.766 -8.025 4.240 221 3HG2 VAL 34 3HG2 VAL 34 0.208 -7.645 3.540 222 H ALA 35 H ALA 35 -1.441 -6.969 7.313 223 HA ALA 35 HA ALA 35 -2.099 -8.595 9.542 224 1HB ALA 35 1HB ALA 35 -1.848 -6.425 10.787 225 2HB ALA 35 2HB ALA 35 -1.650 -5.623 9.235 226 3HB ALA 35 3HB ALA 35 -0.492 -6.824 9.747 227 H GLN 36 H GLN 36 -4.123 -9.121 8.274 228 HA GLN 36 HA GLN 36 -6.421 -9.357 8.292 229 1HB GLN 36 2HB GLN 36 -6.291 -7.498 10.727 230 2HB GLN 36 1HB GLN 36 -7.669 -8.465 10.266 231 1HG GLN 36 2HG GLN 36 -4.929 -9.571 11.034 232 2HG GLN 36 1HG GLN 36 -6.354 -9.568 12.055 233 1HE2 GLN 36 1HE2 GLN 36 -8.226 -10.898 11.326 234 2HE2 GLN 36 2HE2 GLN 36 -7.951 -12.245 10.329 235 H ARG 37 H ARG 37 -6.356 -6.054 9.437 236 HA ARG 37 HA ARG 37 -7.841 -5.182 7.004 237 1HB ARG 37 2HB ARG 37 -9.070 -3.566 8.332 238 2HB ARG 37 1HB ARG 37 -9.311 -5.167 8.970 239 1HG ARG 37 2HG ARG 37 -7.525 -3.014 10.154 240 2HG ARG 37 1HG ARG 37 -9.091 -3.507 10.760 241 1HD ARG 37 2HD ARG 37 -8.096 -5.865 10.999 242 2HD ARG 37 1HD ARG 37 -6.531 -5.079 10.724 243 HE ARG 37 HE ARG 37 -7.408 -3.513 12.680 244 1HH1 ARG 37 2HH1 ARG 37 -7.503 -6.974 12.366 245 2HH1 ARG 37 1HH1 ARG 37 -7.427 -7.235 14.074 246 1HH2 ARG 37 1HH2 ARG 37 -7.303 -3.841 14.845 247 2HH2 ARG 37 2HH2 ARG 37 -7.308 -5.447 15.493 248 H ARG 38 H ARG 38 -4.988 -5.034 8.429 249 HA ARG 38 HA ARG 38 -4.326 -2.231 7.700 250 1HB ARG 38 2HB ARG 38 -3.052 -4.284 9.549 251 2HB ARG 38 1HB ARG 38 -2.338 -2.733 9.214 252 1HG ARG 38 2HG ARG 38 -5.054 -3.253 10.523 253 2HG ARG 38 1HG ARG 38 -3.599 -2.801 11.384 254 1HD ARG 38 2HD ARG 38 -3.535 -0.646 10.138 255 2HD ARG 38 1HD ARG 38 -5.040 -1.076 9.319 256 HE ARG 38 HE ARG 38 -5.775 -1.369 11.903 257 1HH1 ARG 38 2HH1 ARG 38 -4.044 1.160 10.262 258 2HH1 ARG 38 1HH1 ARG 38 -4.619 2.390 11.332 259 1HH2 ARG 38 1HH2 ARG 38 -6.508 0.180 13.257 260 2HH2 ARG 38 2HH2 ARG 38 -6.032 1.833 13.050 261 H CYS 39 H CYS 39 -3.841 -2.347 5.646 262 HA CYS 39 HA CYS 39 -2.449 -4.639 4.456 263 1HB CYS 39 2HB CYS 39 -4.304 -3.490 3.300 264 2HB CYS 39 1HB CYS 39 -3.362 -2.028 3.259 265 H GLU 40 H GLU 40 -0.420 -4.781 3.866 266 HA GLU 40 HA GLU 40 1.289 -2.388 3.699 267 1HB GLU 40 2HB GLU 40 1.397 -3.207 6.058 268 2HB GLU 40 1HB GLU 40 1.965 -4.762 5.471 269 1HG GLU 40 2HG GLU 40 3.962 -3.635 4.446 270 2HG GLU 40 1HG GLU 40 3.368 -2.085 4.998 271 H ASP 41 H ASP 41 3.352 -2.848 2.766 272 HA ASP 41 HA ASP 41 3.310 -4.890 0.643 273 1HB ASP 41 2HB ASP 41 3.670 -2.620 0.024 274 2HB ASP 41 1HB ASP 41 4.987 -2.409 1.142 275 H ILE 42 H ILE 42 5.450 -5.670 0.030 276 HA ILE 42 HA ILE 42 6.538 -7.257 2.102 277 HB ILE 42 HB ILE 42 8.283 -7.929 0.411 278 1HG1 ILE 42 2HG1 ILE 42 7.135 -5.660 -1.297 279 2HG1 ILE 42 1HG1 ILE 42 8.709 -5.653 -0.534 280 1HG2 ILE 42 1HG2 ILE 42 6.021 -8.927 0.268 281 2HG2 ILE 42 2HG2 ILE 42 6.690 -8.754 -1.339 282 3HG2 ILE 42 3HG2 ILE 42 5.481 -7.618 -0.770 283 1HD1 ILE 42 1HD1 ILE 42 8.906 -6.254 -2.902 284 2HD1 ILE 42 2HD1 ILE 42 7.849 -7.632 -2.678 285 3HD1 ILE 42 3HD1 ILE 42 9.414 -7.591 -1.884 286 H ASP 43 H ASP 43 8.832 -7.058 2.956 287 HA ASP 43 HA ASP 43 9.620 -4.175 3.236 288 1HB ASP 43 2HB ASP 43 8.955 -5.576 5.256 289 2HB ASP 43 1HB ASP 43 10.395 -6.537 4.975 290 H GLU 44 H GLU 44 11.179 -3.589 2.011 291 HA GLU 44 HA GLU 44 12.975 -5.384 0.648 292 1HB GLU 44 2HB GLU 44 13.164 -2.375 0.948 293 2HB GLU 44 1HB GLU 44 13.940 -3.353 -0.275 294 1HG GLU 44 2HG GLU 44 12.061 -2.270 -1.219 295 2HG GLU 44 1HG GLU 44 11.685 -3.978 -1.192 296 H CYS 45 H CYS 45 13.103 -3.518 3.585 297 HA CYS 45 HA CYS 45 15.916 -3.457 3.846 298 1HB CYS 45 2HB CYS 45 13.754 -3.191 5.973 299 2HB CYS 45 1HB CYS 45 15.424 -2.918 6.220 300 H GLN 46 H GLN 46 13.581 -5.153 5.762 301 HA GLN 46 HA GLN 46 15.115 -6.915 7.193 302 1HB GLN 46 2HB GLN 46 12.388 -7.382 5.939 303 2HB GLN 46 1HB GLN 46 13.067 -8.382 7.203 304 1HG GLN 46 2HG GLN 46 13.195 -6.417 8.719 305 2HG GLN 46 1HG GLN 46 12.547 -5.380 7.465 306 1HE2 GLN 46 1HE2 GLN 46 11.516 -6.515 10.223 307 2HE2 GLN 46 2HE2 GLN 46 9.926 -6.985 9.854 308 H ASP 47 H ASP 47 13.879 -7.358 3.945 309 HA ASP 47 HA ASP 47 15.067 -9.924 3.580 310 1HB ASP 47 2HB ASP 47 12.975 -9.318 2.397 311 2HB ASP 47 1HB ASP 47 13.796 -7.989 1.597 312 HA PRO 48 HA PRO 48 19.036 -8.197 2.409 313 1HB PRO 48 2HB PRO 48 20.100 -10.340 1.040 314 2HB PRO 48 1HB PRO 48 19.983 -10.305 2.781 315 1HG PRO 48 2HG PRO 48 18.137 -11.609 0.821 316 2HG PRO 48 1HG PRO 48 18.774 -12.239 2.351 317 1HD PRO 48 2HD PRO 48 16.291 -11.241 2.149 318 2HD PRO 48 1HD PRO 48 17.256 -11.055 3.623 319 H ASP 49 H ASP 49 18.152 -6.629 1.093 320 HA ASP 49 HA ASP 49 18.429 -7.098 -1.821 321 1HB ASP 49 2HB ASP 49 16.032 -7.301 -1.333 322 2HB ASP 49 1HB ASP 49 16.057 -5.801 -0.425 323 H THR 50 H THR 50 17.917 -4.680 0.694 324 HA THR 50 HA THR 50 19.074 -2.529 -0.880 325 HB THR 50 HB THR 50 18.557 -1.244 1.294 326 HG1 THR 50 1HG THR 50 18.569 -2.525 2.945 327 1HG2 THR 50 1HG2 THR 50 16.099 -1.600 1.246 328 2HG2 THR 50 2HG2 THR 50 16.302 -3.148 0.443 329 3HG2 THR 50 3HG2 THR 50 16.681 -1.663 -0.410 330 H CYS 51 H CYS 51 20.056 -2.382 2.343 331 HA CYS 51 HA CYS 51 22.894 -2.746 1.595 332 1HB CYS 51 2HB CYS 51 21.424 -1.316 3.771 333 2HB CYS 51 1HB CYS 51 23.133 -1.596 3.899 334 H SER 52 H SER 52 24.358 -3.641 3.222 335 HA SER 52 HA SER 52 23.627 -6.307 3.917 336 1HB SER 52 2HB SER 52 25.991 -5.639 3.459 337 2HB SER 52 1HB SER 52 25.991 -4.647 4.925 338 HG SER 52 HG SER 52 25.075 -7.234 5.233 339 H GLN 53 H GLN 53 23.685 -3.336 5.766 340 HA GLN 53 HA GLN 53 22.520 -4.823 8.088 341 1HB GLN 53 2HB GLN 53 24.394 -2.444 8.139 342 2HB GLN 53 1HB GLN 53 23.642 -3.182 9.546 343 1HG GLN 53 2HG GLN 53 25.530 -4.612 7.623 344 2HG GLN 53 1HG GLN 53 25.980 -4.006 9.209 345 1HE2 GLN 53 1HE2 GLN 53 24.191 -4.838 10.970 346 2HE2 GLN 53 2HE2 GLN 53 23.921 -6.512 10.901 347 H LEU 54 H LEU 54 22.794 -1.304 8.235 348 HA LEU 54 HA LEU 54 20.023 -1.163 8.779 349 1HB LEU 54 2HB LEU 54 21.949 1.042 8.100 350 2HB LEU 54 1HB LEU 54 20.310 1.275 8.649 351 HG LEU 54 HG LEU 54 22.656 0.240 10.205 352 1HD1 LEU 54 1HD1 LEU 54 21.885 2.146 11.631 353 2HD1 LEU 54 2HD1 LEU 54 20.533 2.392 10.532 354 3HD1 LEU 54 3HD1 LEU 54 22.163 2.699 9.978 355 1HD2 LEU 54 1HD2 LEU 54 20.711 -1.241 10.678 356 2HD2 LEU 54 2HD2 LEU 54 19.727 0.193 10.983 357 3HD2 LEU 54 3HD2 LEU 54 21.094 -0.190 12.035 358 H CYS 55 H CYS 55 18.545 -0.061 8.081 359 HA CYS 55 HA CYS 55 18.262 1.023 5.390 360 1HB CYS 55 2HB CYS 55 18.202 -1.473 5.020 361 2HB CYS 55 1HB CYS 55 16.905 -1.568 6.152 362 H VAL 56 H VAL 56 15.643 1.230 5.114 363 HA VAL 56 HA VAL 56 14.183 1.656 7.599 364 HB VAL 56 HB VAL 56 15.613 3.667 7.639 365 1HG1 VAL 56 1HG1 VAL 56 14.614 4.347 4.842 366 2HG1 VAL 56 2HG1 VAL 56 16.234 3.824 5.271 367 3HG1 VAL 56 3HG1 VAL 56 15.616 5.354 5.860 368 1HG2 VAL 56 1HG2 VAL 56 13.284 3.981 8.375 369 2HG2 VAL 56 2HG2 VAL 56 12.788 4.380 6.739 370 3HG2 VAL 56 3HG2 VAL 56 13.874 5.446 7.610 371 H ASN 57 H ASN 57 12.680 0.388 6.766 372 HA ASN 57 HA ASN 57 11.509 0.768 4.115 373 1HB ASN 57 2HB ASN 57 11.876 -1.511 5.030 374 2HB ASN 57 1HB ASN 57 10.779 -1.130 6.348 375 1HD2 ASN 57 1HD2 ASN 57 9.059 -2.535 5.950 376 2HD2 ASN 57 2HD2 ASN 57 8.173 -2.559 4.504 377 H LEU 58 H LEU 58 9.403 0.870 3.729 378 HA LEU 58 HA LEU 58 7.193 1.621 5.356 379 1HB LEU 58 2HB LEU 58 6.950 4.014 4.847 380 2HB LEU 58 1HB LEU 58 8.415 3.752 5.720 381 HG LEU 58 HG LEU 58 8.416 4.072 2.692 382 1HD1 LEU 58 1HD1 LEU 58 9.091 6.431 3.166 383 2HD1 LEU 58 2HD1 LEU 58 8.898 6.159 4.891 384 3HD1 LEU 58 3HD1 LEU 58 7.497 6.124 3.831 385 1HD2 LEU 58 1HD2 LEU 58 10.435 3.039 3.718 386 2HD2 LEU 58 2HD2 LEU 58 10.550 4.381 4.845 387 3HD2 LEU 58 3HD2 LEU 58 10.789 4.645 3.132 388 H GLU 59 H GLU 59 6.090 3.380 3.453 389 HA GLU 59 HA GLU 59 5.209 1.394 1.550 390 1HB GLU 59 2HB GLU 59 3.606 3.059 2.673 391 2HB GLU 59 1HB GLU 59 4.372 4.347 1.774 392 1HG GLU 59 2HG GLU 59 3.528 3.202 -0.417 393 2HG GLU 59 1HG GLU 59 2.704 2.051 0.596 394 H GLY 60 H GLY 60 6.883 0.918 0.389 395 1HA GLY 60 2HA GLY 60 8.182 0.858 -1.476 396 2HA GLY 60 1HA GLY 60 7.066 2.031 -2.137 397 H GLY 61 H GLY 61 8.063 3.487 0.500 398 1HA GLY 61 2HA GLY 61 10.041 5.168 -0.898 399 2HA GLY 61 1HA GLY 61 9.327 5.479 0.685 400 H TYR 62 H TYR 62 10.279 2.436 0.761 401 HA TYR 62 HA TYR 62 12.153 2.498 2.736 402 1HB TYR 62 2HB TYR 62 12.880 0.259 2.080 403 2HB TYR 62 1HB TYR 62 11.158 0.428 1.776 404 HD1 TYR 62 1HD TYR 62 10.356 0.806 -0.606 405 HD2 TYR 62 2HD TYR 62 14.431 -0.035 0.287 406 HE1 TYR 62 1HE TYR 62 10.772 0.276 -2.961 407 HE2 TYR 62 2HE TYR 62 14.849 -0.566 -2.056 408 HH TYR 62 HH TYR 62 12.944 -1.429 -4.107 409 H LYS 63 H LYS 63 14.307 2.883 3.076 410 HA LYS 63 HA LYS 63 15.993 3.399 0.697 411 1HB LYS 63 2HB LYS 63 16.123 4.846 3.336 412 2HB LYS 63 1HB LYS 63 16.998 5.138 1.889 413 1HG LYS 63 2HG LYS 63 14.951 5.789 0.660 414 2HG LYS 63 1HG LYS 63 13.999 5.440 2.097 415 1HD LYS 63 2HD LYS 63 15.206 7.201 3.358 416 2HD LYS 63 1HD LYS 63 16.158 7.570 1.929 417 1HE LYS 63 2HE LYS 63 14.249 9.145 2.154 418 2HE LYS 63 1HE LYS 63 14.090 8.182 0.692 419 1HZ LYS 63 1HZ LYS 63 12.325 7.075 1.500 420 2HZ LYS 63 2HZ LYS 63 12.138 8.485 2.427 421 3HZ LYS 63 3HZ LYS 63 12.867 7.110 3.107 422 H CYS 64 H CYS 64 18.065 2.988 0.979 423 HA CYS 64 HA CYS 64 18.783 0.754 2.804 424 1HB CYS 64 2HB CYS 64 19.112 0.755 0.463 425 2HB CYS 64 1HB CYS 64 20.181 2.129 0.524 426 H GLN 65 H GLN 65 20.691 0.886 3.846 427 HA GLN 65 HA GLN 65 21.991 3.482 4.541 428 1HB GLN 65 2HB GLN 65 20.627 2.032 6.802 429 2HB GLN 65 1HB GLN 65 21.458 3.543 6.896 430 1HG GLN 65 2HG GLN 65 19.762 4.667 5.507 431 2HG GLN 65 1HG GLN 65 18.839 3.169 5.407 432 1HE2 GLN 65 1HE2 GLN 65 18.617 5.971 6.928 433 2HE2 GLN 65 2HE2 GLN 65 18.029 5.479 8.443 434 H CYS 66 H CYS 66 23.280 2.963 6.889 435 HA CYS 66 HA CYS 66 24.748 0.438 6.493 436 1HB CYS 66 2HB CYS 66 26.005 3.095 7.008 437 2HB CYS 66 1HB CYS 66 26.737 1.611 6.831 438 H GLU 67 H GLU 67 25.939 -0.251 8.258 439 HA GLU 67 HA GLU 67 24.749 0.435 10.882 440 1HB GLU 67 2HB GLU 67 25.169 -1.948 10.124 441 2HB GLU 67 1HB GLU 67 26.886 -1.665 10.221 442 1HG GLU 67 2HG GLU 67 24.880 -1.550 12.524 443 2HG GLU 67 1HG GLU 67 26.021 -2.840 12.235 444 H GLU 68 H GLU 68 25.628 2.565 10.866 445 HA GLU 68 HA GLU 68 27.136 4.247 11.349 446 1HB GLU 68 2HB GLU 68 28.116 2.047 13.208 447 2HB GLU 68 1HB GLU 68 28.530 3.740 13.376 448 1HG GLU 68 2HG GLU 68 26.114 4.304 13.632 449 2HG GLU 68 1HG GLU 68 25.687 2.612 13.435 450 H GLY 69 H GLY 69 29.450 1.681 11.868 451 1HA GLY 69 2HA GLY 69 31.657 3.009 10.767 452 2HA GLY 69 1HA GLY 69 31.597 1.298 11.147 453 H PHE 70 H PHE 70 29.191 1.119 9.224 454 HA PHE 70 HA PHE 70 30.769 0.414 6.982 455 1HB PHE 70 2HB PHE 70 27.846 0.354 7.601 456 2HB PHE 70 1HB PHE 70 28.400 -0.109 5.999 457 HD1 PHE 70 1HD PHE 70 27.368 -2.295 6.280 458 HD2 PHE 70 2HD PHE 70 30.374 -1.012 9.017 459 HE1 PHE 70 1HE PHE 70 27.598 -4.582 7.124 460 HE2 PHE 70 2HE PHE 70 30.590 -3.295 9.855 461 HZ PHE 70 HZ PHE 70 29.205 -5.091 8.909 462 H GLN 71 H GLN 71 30.364 1.164 4.796 463 HA GLN 71 HA GLN 71 29.257 3.856 4.525 464 1HB GLN 71 2HB GLN 71 32.029 2.873 4.028 465 2HB GLN 71 1HB GLN 71 31.414 4.026 2.898 466 1HG GLN 71 2HG GLN 71 31.490 4.415 5.939 467 2HG GLN 71 1HG GLN 71 32.619 5.149 4.804 468 1HE2 GLN 71 1HE2 GLN 71 30.939 6.750 6.459 469 2HE2 GLN 71 2HE2 GLN 71 29.819 7.563 5.475 470 H LEU 72 H LEU 72 29.455 4.550 2.254 471 HA LEU 72 HA LEU 72 27.795 2.689 0.709 472 1HB LEU 72 2HB LEU 72 27.367 5.148 0.741 473 2HB LEU 72 1HB LEU 72 28.890 5.412 -0.081 474 HG LEU 72 HG LEU 72 28.044 3.897 -1.953 475 1HD1 LEU 72 1HD1 LEU 72 25.609 3.472 -2.086 476 2HD1 LEU 72 2HD1 LEU 72 25.397 4.139 -0.479 477 3HD1 LEU 72 3HD1 LEU 72 26.312 2.657 -0.703 478 1HD2 LEU 72 1HD2 LEU 72 26.363 6.365 -1.334 479 2HD2 LEU 72 2HD2 LEU 72 26.543 5.633 -2.924 480 3HD2 LEU 72 3HD2 LEU 72 27.928 6.374 -2.136 481 H ASP 73 H ASP 73 28.906 1.027 -0.039 482 HA ASP 73 HA ASP 73 31.591 1.189 -1.148 483 1HB ASP 73 2HB ASP 73 30.686 -0.912 -0.091 484 2HB ASP 73 1HB ASP 73 29.533 -1.060 -1.405 485 HA PRO 74 HA PRO 74 30.050 2.516 -5.159 486 1HB PRO 74 2HB PRO 74 32.331 2.482 -6.570 487 2HB PRO 74 1HB PRO 74 32.083 3.646 -5.291 488 1HG PRO 74 2HG PRO 74 33.575 1.055 -5.165 489 2HG PRO 74 1HG PRO 74 34.057 2.659 -4.581 490 1HD PRO 74 2HD PRO 74 33.022 0.761 -2.947 491 2HD PRO 74 1HD PRO 74 32.781 2.498 -2.671 492 H HIS 75 H HIS 75 29.943 1.802 -7.338 493 HA HIS 75 HA HIS 75 29.453 0.272 -9.020 494 1HB HIS 75 2HB HIS 75 31.465 -1.528 -7.583 495 2HB HIS 75 1HB HIS 75 30.893 -1.717 -9.231 496 HD1 HIS 75 1HD HIS 75 33.060 0.489 -7.201 497 HD2 HIS 75 2HD HIS 75 32.022 0.063 -11.125 498 HE1 HIS 75 1HE HIS 75 34.608 1.921 -8.487 499 H THR 76 H THR 76 28.623 -0.135 -5.961 500 HA THR 76 HA THR 76 26.711 -2.341 -6.510 501 HB THR 76 HB THR 76 27.163 -3.229 -4.160 502 HG1 THR 76 1HG THR 76 27.991 -1.498 -3.200 503 1HG2 THR 76 1HG2 THR 76 29.772 -2.984 -5.793 504 2HG2 THR 76 2HG2 THR 76 28.559 -4.208 -6.132 505 3HG2 THR 76 3HG2 THR 76 29.417 -4.221 -4.600 506 H LYS 77 H LYS 77 27.738 0.246 -4.555 507 HA LYS 77 HA LYS 77 26.673 1.960 -3.385 508 1HB LYS 77 2HB LYS 77 24.306 0.993 -4.807 509 2HB LYS 77 1HB LYS 77 24.355 2.500 -3.933 510 1HG LYS 77 2HG LYS 77 26.288 3.221 -5.412 511 2HG LYS 77 1HG LYS 77 26.067 1.755 -6.352 512 1HD LYS 77 2HD LYS 77 23.748 2.435 -6.907 513 2HD LYS 77 1HD LYS 77 23.946 3.897 -5.954 514 1HE LYS 77 2HE LYS 77 25.811 4.619 -7.438 515 2HE LYS 77 1HE LYS 77 25.615 3.159 -8.399 516 1HZ LYS 77 1HZ LYS 77 23.396 5.049 -7.947 517 2HZ LYS 77 2HZ LYS 77 23.528 3.837 -9.128 518 3HZ LYS 77 3HZ LYS 77 24.496 5.229 -9.228 519 H ALA 78 H ALA 78 26.657 -1.015 -2.645 520 HA ALA 78 HA ALA 78 24.480 -1.140 -0.632 521 1HB ALA 78 1HB ALA 78 25.259 -3.492 -0.354 522 2HB ALA 78 2HB ALA 78 26.600 -3.178 -1.445 523 3HB ALA 78 3HB ALA 78 24.950 -3.148 -2.049 524 H CYS 79 H CYS 79 25.011 -1.470 1.603 525 HA CYS 79 HA CYS 79 27.509 -0.113 2.360 526 1HB CYS 79 2HB CYS 79 25.141 -0.925 3.986 527 2HB CYS 79 1HB CYS 79 26.551 -0.176 4.660 528 H LYS 80 H LYS 80 29.029 -0.766 3.615 529 HA LYS 80 HA LYS 80 29.045 -3.293 5.044 530 1HB LYS 80 2HB LYS 80 30.937 -4.159 3.994 531 2HB LYS 80 1HB LYS 80 29.567 -4.216 2.907 532 1HG LYS 80 2HG LYS 80 31.421 -3.603 1.494 533 2HG LYS 80 1HG LYS 80 30.506 -2.134 1.735 534 1HD LYS 80 2HD LYS 80 32.163 -1.318 3.372 535 2HD LYS 80 1HD LYS 80 33.020 -2.850 3.298 536 1HE LYS 80 2HE LYS 80 33.514 -2.344 0.893 537 2HE LYS 80 1HE LYS 80 32.614 -0.836 1.043 538 1HZ LYS 80 1HZ LYS 80 34.794 -1.414 2.914 539 2HZ LYS 80 2HZ LYS 80 34.181 0.081 2.396 540 3HZ LYS 80 3HZ LYS 80 35.149 -0.845 1.353 541 H ALA 81 H ALA 81 31.276 -3.577 6.111 542 HA ALA 81 HA ALA 81 32.034 -1.364 7.634 543 1HB ALA 81 1HB ALA 81 32.689 -3.683 8.162 544 2HB ALA 81 2HB ALA 81 34.103 -2.639 8.149 545 3HB ALA 81 3HB ALA 81 33.782 -3.702 6.787 546 H VAL 82 H VAL 82 32.839 0.540 7.082 547 HA VAL 82 HA VAL 82 33.802 1.364 4.649 548 HB VAL 82 HB VAL 82 33.216 2.869 6.520 549 1HG1 VAL 82 1HG1 VAL 82 34.830 3.289 8.364 550 2HG1 VAL 82 2HG1 VAL 82 35.897 2.044 7.736 551 3HG1 VAL 82 3HG1 VAL 82 34.332 1.609 8.379 552 1HG2 VAL 82 1HG2 VAL 82 34.548 3.806 4.672 553 2HG2 VAL 82 2HG2 VAL 82 36.039 3.359 5.484 554 3HG2 VAL 82 3HG2 VAL 82 34.985 4.572 6.190 Start of MODEL 11 1 H GLY 1 H GLY 1 -27.717 -1.571 1.776 2 1HA GLY 1 2HA GLY 1 -26.275 -3.557 3.359 3 2HA GLY 1 1HA GLY 1 -25.338 -2.912 2.009 4 H THR 2 H THR 2 -25.760 -2.563 5.171 5 HA THR 2 HA THR 2 -26.164 0.074 5.851 6 HB THR 2 HB THR 2 -24.071 -1.782 7.057 7 HG1 THR 2 1HG THR 2 -26.325 -2.484 6.821 8 1HG2 THR 2 1HG2 THR 2 -25.626 0.489 8.373 9 2HG2 THR 2 2HG2 THR 2 -23.913 0.557 7.987 10 3HG2 THR 2 3HG2 THR 2 -24.490 -0.594 9.167 11 H ASN 3 H ASN 3 -24.694 1.712 6.468 12 HA ASN 3 HA ASN 3 -22.414 2.057 4.578 13 1HB ASN 3 2HB ASN 3 -24.424 3.615 4.499 14 2HB ASN 3 1HB ASN 3 -24.031 4.135 6.122 15 1HD2 ASN 3 1HD2 ASN 3 -24.010 6.190 4.488 16 2HD2 ASN 3 2HD2 ASN 3 -22.450 6.650 4.001 17 H GLU 4 H GLU 4 -21.656 0.482 6.345 18 HA GLU 4 HA GLU 4 -20.959 1.351 8.958 19 1HB GLU 4 2HB GLU 4 -19.631 -0.666 9.020 20 2HB GLU 4 1HB GLU 4 -21.074 -1.028 8.112 21 1HG GLU 4 2HG GLU 4 -18.289 -0.525 6.976 22 2HG GLU 4 1HG GLU 4 -19.175 -2.029 6.969 23 H CYS 5 H CYS 5 -19.853 2.501 6.071 24 HA CYS 5 HA CYS 5 -17.088 2.822 6.467 25 1HB CYS 5 2HB CYS 5 -19.038 4.469 4.856 26 2HB CYS 5 1HB CYS 5 -17.319 4.521 4.686 27 H LEU 6 H LEU 6 -19.885 4.693 7.135 28 HA LEU 6 HA LEU 6 -19.063 7.190 7.875 29 1HB LEU 6 2HB LEU 6 -21.160 5.486 9.245 30 2HB LEU 6 1HB LEU 6 -21.070 7.232 9.311 31 HG LEU 6 HG LEU 6 -21.485 5.591 6.769 32 1HD1 LEU 6 1HD1 LEU 6 -23.439 5.581 8.286 33 2HD1 LEU 6 2HD1 LEU 6 -23.785 6.546 6.859 34 3HD1 LEU 6 3HD1 LEU 6 -23.396 7.337 8.379 35 1HD2 LEU 6 1HD2 LEU 6 -21.579 8.625 7.199 36 2HD2 LEU 6 2HD2 LEU 6 -21.943 7.804 5.694 37 3HD2 LEU 6 3HD2 LEU 6 -20.312 7.782 6.323 38 H ASP 7 H ASP 7 -19.258 4.419 10.023 39 HA ASP 7 HA ASP 7 -17.759 5.827 12.202 40 1HB ASP 7 2HB ASP 7 -19.917 4.462 12.642 41 2HB ASP 7 1HB ASP 7 -19.015 3.053 12.107 42 H ASN 8 H ASN 8 -16.518 3.506 13.154 43 HA ASN 8 HA ASN 8 -14.057 3.469 11.914 44 1HB ASN 8 2HB ASN 8 -15.474 1.391 13.397 45 2HB ASN 8 1HB ASN 8 -13.766 1.253 13.061 46 1HD2 ASN 8 1HD2 ASN 8 -16.099 3.600 14.554 47 2HD2 ASN 8 2HD2 ASN 8 -15.023 4.113 15.759 48 H ASN 9 H ASN 9 -13.580 2.869 9.886 49 HA ASN 9 HA ASN 9 -15.144 1.920 7.878 50 1HB ASN 9 2HB ASN 9 -12.836 2.763 7.669 51 2HB ASN 9 1HB ASN 9 -12.231 1.245 8.329 52 1HD2 ASN 9 1HD2 ASN 9 -12.458 -0.688 7.054 53 2HD2 ASN 9 2HD2 ASN 9 -12.668 -0.598 5.381 54 H GLY 10 H GLY 10 -16.605 0.361 8.653 55 1HA GLY 10 2HA GLY 10 -17.474 -1.756 8.922 56 2HA GLY 10 1HA GLY 10 -16.131 -2.288 7.926 57 H GLY 11 H GLY 11 -15.055 -0.696 10.641 58 1HA GLY 11 2HA GLY 11 -15.107 -1.895 12.958 59 2HA GLY 11 1HA GLY 11 -14.310 -3.192 12.065 60 H CYS 12 H CYS 12 -12.811 -1.479 10.331 61 HA CYS 12 HA CYS 12 -10.687 -0.575 12.181 62 1HB CYS 12 2HB CYS 12 -9.247 -0.951 10.333 63 2HB CYS 12 1HB CYS 12 -10.295 -2.336 10.500 64 H SER 13 H SER 13 -9.735 0.718 9.496 65 HA SER 13 HA SER 13 -11.400 3.039 9.112 66 1HB SER 13 2HB SER 13 -9.718 4.678 10.032 67 2HB SER 13 1HB SER 13 -10.304 3.598 11.303 68 HG SER 13 HG SER 13 -8.500 2.221 10.782 69 H HIS 14 H HIS 14 -10.357 0.969 7.563 70 HA HIS 14 HA HIS 14 -8.357 2.233 5.779 71 1HB HIS 14 2HB HIS 14 -9.305 -0.651 6.119 72 2HB HIS 14 1HB HIS 14 -8.069 -0.124 5.002 73 HD1 HIS 14 1HD HIS 14 -7.580 -2.028 7.477 74 HD2 HIS 14 2HD HIS 14 -6.631 1.944 7.394 75 HE1 HIS 14 1HE HIS 14 -5.827 -1.688 9.183 76 H VAL 15 H VAL 15 -9.925 -0.193 4.200 77 HA VAL 15 HA VAL 15 -11.805 1.659 2.825 78 HB VAL 15 HB VAL 15 -9.871 0.842 1.575 79 1HG1 VAL 15 1HG1 VAL 15 -9.477 -1.299 2.556 80 2HG1 VAL 15 2HG1 VAL 15 -9.692 -1.499 0.826 81 3HG1 VAL 15 3HG1 VAL 15 -10.977 -1.952 1.918 82 1HG2 VAL 15 1HG2 VAL 15 -12.008 1.341 0.335 83 2HG2 VAL 15 2HG2 VAL 15 -12.561 -0.303 0.603 84 3HG2 VAL 15 3HG2 VAL 15 -11.192 0.000 -0.451 85 H CYS 16 H CYS 16 -13.823 1.303 3.206 86 HA CYS 16 HA CYS 16 -14.819 -1.113 4.484 87 1HB CYS 16 2HB CYS 16 -16.935 0.174 4.439 88 2HB CYS 16 1HB CYS 16 -15.642 1.048 5.196 89 H ASN 17 H ASN 17 -14.722 -2.840 3.056 90 HA ASN 17 HA ASN 17 -15.829 -2.468 0.328 91 1HB ASN 17 2HB ASN 17 -13.709 -3.516 0.460 92 2HB ASN 17 1HB ASN 17 -14.173 -4.598 1.735 93 1HD2 ASN 17 1HD2 ASN 17 -15.011 -6.594 1.063 94 2HD2 ASN 17 2HD2 ASN 17 -15.405 -6.990 -0.534 95 H ASP 18 H ASP 18 -17.701 -2.099 0.957 96 HA ASP 18 HA ASP 18 -19.494 -3.243 2.725 97 1HB ASP 18 2HB ASP 18 -19.895 -1.142 1.520 98 2HB ASP 18 1HB ASP 18 -20.127 -2.014 0.020 99 H LEU 19 H LEU 19 -19.361 -5.408 2.814 100 HA LEU 19 HA LEU 19 -19.916 -7.206 0.683 101 1HB LEU 19 2HB LEU 19 -18.628 -7.493 2.971 102 2HB LEU 19 1HB LEU 19 -20.214 -7.619 3.669 103 HG LEU 19 HG LEU 19 -20.747 -9.599 2.284 104 1HD1 LEU 19 1HD1 LEU 19 -18.869 -10.613 1.009 105 2HD1 LEU 19 2HD1 LEU 19 -17.840 -9.258 1.469 106 3HD1 LEU 19 3HD1 LEU 19 -19.199 -9.005 0.393 107 1HD2 LEU 19 1HD2 LEU 19 -19.792 -9.783 4.547 108 2HD2 LEU 19 2HD2 LEU 19 -18.170 -9.752 3.888 109 3HD2 LEU 19 3HD2 LEU 19 -19.241 -11.105 3.542 110 H LYS 20 H LYS 20 -21.850 -8.787 1.007 111 HA LYS 20 HA LYS 20 -24.280 -7.206 0.977 112 1HB LYS 20 2HB LYS 20 -25.376 -9.406 0.560 113 2HB LYS 20 1HB LYS 20 -23.973 -9.202 -0.468 114 1HG LYS 20 2HG LYS 20 -22.623 -10.614 1.108 115 2HG LYS 20 1HG LYS 20 -24.057 -10.867 2.091 116 1HD LYS 20 2HD LYS 20 -25.229 -11.902 0.177 117 2HD LYS 20 1HD LYS 20 -23.808 -11.675 -0.827 118 1HE LYS 20 2HE LYS 20 -23.913 -13.350 1.723 119 2HE LYS 20 1HE LYS 20 -23.880 -13.985 0.085 120 1HZ LYS 20 1HZ LYS 20 -21.697 -14.075 0.810 121 2HZ LYS 20 2HZ LYS 20 -21.756 -12.538 1.528 122 3HZ LYS 20 3HZ LYS 20 -21.742 -12.684 -0.164 123 H ILE 21 H ILE 21 -22.796 -9.580 3.141 124 HA ILE 21 HA ILE 21 -24.156 -8.473 5.488 125 HB ILE 21 HB ILE 21 -24.203 -11.398 4.624 126 1HG1 ILE 21 2HG1 ILE 21 -26.518 -9.432 4.995 127 2HG1 ILE 21 1HG1 ILE 21 -25.938 -10.047 3.461 128 1HG2 ILE 21 1HG2 ILE 21 -25.224 -10.076 7.169 129 2HG2 ILE 21 2HG2 ILE 21 -23.835 -11.149 7.057 130 3HG2 ILE 21 3HG2 ILE 21 -25.444 -11.778 6.770 131 1HD1 ILE 21 1HD1 ILE 21 -27.951 -11.262 4.145 132 2HD1 ILE 21 2HD1 ILE 21 -27.185 -11.771 5.633 133 3HD1 ILE 21 3HD1 ILE 21 -26.573 -12.347 4.089 134 H GLY 22 H GLY 22 -22.350 -7.923 6.650 135 1HA GLY 22 2HA GLY 22 -20.606 -8.491 8.133 136 2HA GLY 22 1HA GLY 22 -20.326 -9.924 7.182 137 H TYR 23 H TYR 23 -20.534 -6.583 6.429 138 HA TYR 23 HA TYR 23 -18.869 -6.013 4.387 139 1HB TYR 23 2HB TYR 23 -18.699 -4.275 6.829 140 2HB TYR 23 1HB TYR 23 -18.686 -3.795 5.142 141 HD1 TYR 23 1HD TYR 23 -20.858 -4.432 3.719 142 HD2 TYR 23 2HD TYR 23 -20.742 -4.276 7.961 143 HE1 TYR 23 1HE TYR 23 -23.300 -4.265 3.775 144 HE2 TYR 23 2HE TYR 23 -23.188 -4.111 8.022 145 HH TYR 23 HH TYR 23 -25.028 -3.585 6.707 146 H GLU 24 H GLU 24 -16.756 -5.330 4.025 147 HA GLU 24 HA GLU 24 -14.770 -6.544 5.848 148 1HB GLU 24 2HB GLU 24 -14.697 -6.057 2.893 149 2HB GLU 24 1HB GLU 24 -13.432 -6.801 3.831 150 1HG GLU 24 2HG GLU 24 -15.146 -8.502 4.581 151 2HG GLU 24 1HG GLU 24 -16.277 -7.723 3.470 152 H CYS 25 H CYS 25 -12.690 -5.889 5.764 153 HA CYS 25 HA CYS 25 -12.143 -3.049 5.550 154 1HB CYS 25 2HB CYS 25 -12.287 -3.595 7.980 155 2HB CYS 25 1HB CYS 25 -11.243 -4.988 7.728 156 H LEU 26 H LEU 26 -11.378 -3.739 3.424 157 HA LEU 26 HA LEU 26 -9.099 -5.577 3.280 158 1HB LEU 26 2HB LEU 26 -10.127 -3.698 1.108 159 2HB LEU 26 1HB LEU 26 -9.254 -5.185 0.932 160 HG LEU 26 HG LEU 26 -12.098 -4.976 1.958 161 1HD1 LEU 26 1HD1 LEU 26 -11.063 -6.061 -0.688 162 2HD1 LEU 26 2HD1 LEU 26 -11.996 -4.592 -0.463 163 3HD1 LEU 26 3HD1 LEU 26 -12.716 -6.156 -0.133 164 1HD2 LEU 26 1HD2 LEU 26 -10.469 -7.485 1.468 165 2HD2 LEU 26 2HD2 LEU 26 -12.179 -7.421 1.870 166 3HD2 LEU 26 3HD2 LEU 26 -10.989 -6.876 3.035 167 H CYS 27 H CYS 27 -7.481 -4.240 1.526 168 HA CYS 27 HA CYS 27 -6.075 -2.438 3.312 169 1HB CYS 27 2HB CYS 27 -5.438 -3.610 0.653 170 2HB CYS 27 1HB CYS 27 -4.414 -2.421 1.397 171 HA PRO 28 HA PRO 28 -7.400 1.258 1.181 172 1HB PRO 28 2HB PRO 28 -5.964 3.049 2.683 173 2HB PRO 28 1HB PRO 28 -7.415 2.280 3.252 174 1HG PRO 28 2HG PRO 28 -4.657 1.815 4.074 175 2HG PRO 28 1HG PRO 28 -6.159 1.418 4.904 176 1HD PRO 28 2HD PRO 28 -4.449 -0.333 3.399 177 2HD PRO 28 1HD PRO 28 -5.950 -0.706 4.268 178 H ASP 29 H ASP 29 -4.066 1.595 2.223 179 HA ASP 29 HA ASP 29 -3.215 2.737 -0.325 180 1HB ASP 29 2HB ASP 29 -1.156 3.202 0.885 181 2HB ASP 29 1HB ASP 29 -2.501 3.607 1.920 182 H GLY 30 H GLY 30 -0.599 1.854 -0.413 183 1HA GLY 30 2HA GLY 30 -0.677 -0.362 -2.075 184 2HA GLY 30 1HA GLY 30 0.775 0.292 -1.359 185 H PHE 31 H PHE 31 -0.188 -0.322 1.392 186 HA PHE 31 HA PHE 31 1.129 -2.700 1.944 187 1HB PHE 31 2HB PHE 31 -1.179 -1.359 3.364 188 2HB PHE 31 1HB PHE 31 -0.250 -2.658 4.060 189 HD1 PHE 31 1HD PHE 31 1.988 -0.725 2.016 190 HD2 PHE 31 2HD PHE 31 -0.019 -0.686 5.790 191 HE1 PHE 31 1HE PHE 31 3.649 0.801 2.881 192 HE2 PHE 31 2HE PHE 31 1.679 0.853 6.648 193 HZ PHE 31 HZ PHE 31 3.521 1.585 5.182 194 H GLN 32 H GLN 32 0.230 -4.604 3.073 195 HA GLN 32 HA GLN 32 -1.914 -5.868 1.384 196 1HB GLN 32 2HB GLN 32 0.345 -6.810 1.024 197 2HB GLN 32 1HB GLN 32 0.513 -7.138 2.734 198 1HG GLN 32 2HG GLN 32 -1.456 -8.715 2.595 199 2HG GLN 32 1HG GLN 32 -1.594 -8.364 0.876 200 1HE2 GLN 32 1HE2 GLN 32 -0.267 -10.533 3.064 201 2HE2 GLN 32 2HE2 GLN 32 0.943 -11.195 2.074 202 H LEU 33 H LEU 33 -3.321 -7.338 2.432 203 HA LEU 33 HA LEU 33 -3.957 -6.540 5.197 204 1HB LEU 33 2HB LEU 33 -5.665 -6.982 3.250 205 2HB LEU 33 1HB LEU 33 -5.364 -8.683 3.527 206 HG LEU 33 HG LEU 33 -5.926 -8.205 6.015 207 1HD1 LEU 33 1HD1 LEU 33 -7.331 -6.189 6.405 208 2HD1 LEU 33 2HD1 LEU 33 -7.027 -5.654 4.769 209 3HD1 LEU 33 3HD1 LEU 33 -5.712 -5.729 5.924 210 1HD2 LEU 33 1HD2 LEU 33 -8.153 -7.857 3.982 211 2HD2 LEU 33 2HD2 LEU 33 -8.363 -8.317 5.663 212 3HD2 LEU 33 3HD2 LEU 33 -7.516 -9.393 4.565 213 H VAL 34 H VAL 34 -1.818 -7.393 5.796 214 HA VAL 34 HA VAL 34 -1.398 -10.278 5.890 215 HB VAL 34 HB VAL 34 0.141 -7.992 7.191 216 1HG1 VAL 34 1HG1 VAL 34 0.969 -10.884 6.682 217 2HG1 VAL 34 2HG1 VAL 34 0.631 -10.194 8.262 218 3HG1 VAL 34 3HG1 VAL 34 2.010 -9.630 7.339 219 1HG2 VAL 34 1HG2 VAL 34 1.691 -8.241 5.269 220 2HG2 VAL 34 2HG2 VAL 34 0.081 -7.808 4.729 221 3HG2 VAL 34 3HG2 VAL 34 0.638 -9.468 4.579 222 H ALA 35 H ALA 35 -1.893 -7.756 8.298 223 HA ALA 35 HA ALA 35 -2.162 -9.601 10.446 224 1HB ALA 35 1HB ALA 35 -2.545 -7.511 11.789 225 2HB ALA 35 2HB ALA 35 -2.549 -6.604 10.282 226 3HB ALA 35 3HB ALA 35 -1.106 -7.455 10.788 227 H GLN 36 H GLN 36 -4.037 -10.475 8.864 228 HA GLN 36 HA GLN 36 -6.192 -11.231 8.785 229 1HB GLN 36 2HB GLN 36 -6.509 -9.756 11.452 230 2HB GLN 36 1HB GLN 36 -7.629 -10.923 10.797 231 1HG GLN 36 2HG GLN 36 -5.885 -12.680 10.835 232 2HG GLN 36 1HG GLN 36 -4.713 -11.521 11.453 233 1HE2 GLN 36 1HE2 GLN 36 -7.857 -13.037 12.242 234 2HE2 GLN 36 2HE2 GLN 36 -7.685 -12.889 13.925 235 H ARG 37 H ARG 37 -6.957 -8.165 10.373 236 HA ARG 37 HA ARG 37 -8.578 -7.372 7.984 237 1HB ARG 37 2HB ARG 37 -9.048 -6.849 10.905 238 2HB ARG 37 1HB ARG 37 -9.852 -5.932 9.659 239 1HG ARG 37 2HG ARG 37 -11.319 -7.590 10.596 240 2HG ARG 37 1HG ARG 37 -11.057 -7.848 8.892 241 1HD ARG 37 2HD ARG 37 -9.445 -9.347 10.915 242 2HD ARG 37 1HD ARG 37 -11.072 -9.885 10.460 243 HE ARG 37 HE ARG 37 -9.399 -9.396 8.156 244 1HH1 ARG 37 2HH1 ARG 37 -10.133 -11.656 10.682 245 2HH1 ARG 37 1HH1 ARG 37 -9.612 -13.028 9.766 246 1HH2 ARG 37 1HH2 ARG 37 -8.725 -11.130 6.977 247 2HH2 ARG 37 2HH2 ARG 37 -8.803 -12.728 7.640 248 H ARG 38 H ARG 38 -6.028 -6.650 10.120 249 HA ARG 38 HA ARG 38 -5.939 -3.753 9.629 250 1HB ARG 38 2HB ARG 38 -4.168 -5.714 11.112 251 2HB ARG 38 1HB ARG 38 -3.681 -4.072 10.879 252 1HG ARG 38 2HG ARG 38 -4.489 -4.432 13.118 253 2HG ARG 38 1HG ARG 38 -5.528 -3.308 12.281 254 1HD ARG 38 2HD ARG 38 -6.189 -6.240 12.495 255 2HD ARG 38 1HD ARG 38 -6.639 -5.056 13.725 256 HE ARG 38 HE ARG 38 -7.443 -4.597 10.884 257 1HH1 ARG 38 2HH1 ARG 38 -8.321 -5.263 14.192 258 2HH1 ARG 38 1HH1 ARG 38 -9.990 -4.906 13.916 259 1HH2 ARG 38 1HH2 ARG 38 -9.550 -4.161 10.551 260 2HH2 ARG 38 2HH2 ARG 38 -10.695 -4.280 11.846 261 H CYS 39 H CYS 39 -4.930 -3.006 7.807 262 HA CYS 39 HA CYS 39 -3.323 -4.933 6.218 263 1HB CYS 39 2HB CYS 39 -5.109 -3.631 5.084 264 2HB CYS 39 1HB CYS 39 -4.261 -2.154 5.479 265 H GLU 40 H GLU 40 -1.234 -4.926 6.253 266 HA GLU 40 HA GLU 40 0.296 -2.427 6.706 267 1HB GLU 40 2HB GLU 40 -0.035 -3.571 8.910 268 2HB GLU 40 1HB GLU 40 0.724 -5.009 8.257 269 1HG GLU 40 2HG GLU 40 2.843 -3.738 7.899 270 2HG GLU 40 1HG GLU 40 2.080 -2.284 8.515 271 H ASP 41 H ASP 41 2.561 -2.669 6.135 272 HA ASP 41 HA ASP 41 2.973 -4.550 3.885 273 1HB ASP 41 2HB ASP 41 3.177 -2.219 3.432 274 2HB ASP 41 1HB ASP 41 4.386 -1.975 4.670 275 H ILE 42 H ILE 42 5.045 -5.423 3.643 276 HA ILE 42 HA ILE 42 6.011 -6.584 6.068 277 HB ILE 42 HB ILE 42 5.947 -7.884 3.942 278 1HG1 ILE 42 2HG1 ILE 42 8.816 -7.470 4.930 279 2HG1 ILE 42 1HG1 ILE 42 7.630 -8.494 5.710 280 1HG2 ILE 42 1HG2 ILE 42 6.453 -6.006 2.378 281 2HG2 ILE 42 2HG2 ILE 42 7.541 -7.339 2.089 282 3HG2 ILE 42 3HG2 ILE 42 8.102 -5.932 2.971 283 1HD1 ILE 42 1HD1 ILE 42 8.715 -8.887 2.883 284 2HD1 ILE 42 2HD1 ILE 42 7.515 -9.908 3.663 285 3HD1 ILE 42 3HD1 ILE 42 9.151 -9.823 4.297 286 H ASP 43 H ASP 43 8.187 -6.316 6.929 287 HA ASP 43 HA ASP 43 9.277 -3.586 6.499 288 1HB ASP 43 2HB ASP 43 8.907 -4.503 8.837 289 2HB ASP 43 1HB ASP 43 10.094 -5.751 8.508 290 H GLU 44 H GLU 44 10.529 -3.567 4.720 291 HA GLU 44 HA GLU 44 12.058 -5.922 3.937 292 1HB GLU 44 2HB GLU 44 12.741 -4.451 2.007 293 2HB GLU 44 1HB GLU 44 11.031 -4.730 2.164 294 1HG GLU 44 2HG GLU 44 12.420 -2.210 3.131 295 2HG GLU 44 1HG GLU 44 11.689 -2.401 1.553 296 H CYS 45 H CYS 45 12.763 -3.404 6.121 297 HA CYS 45 HA CYS 45 15.513 -3.110 5.432 298 1HB CYS 45 2HB CYS 45 13.882 -2.317 7.817 299 2HB CYS 45 1HB CYS 45 15.592 -2.188 7.874 300 H GLN 46 H GLN 46 13.994 -4.347 8.338 301 HA GLN 46 HA GLN 46 15.975 -5.589 9.697 302 1HB GLN 46 2HB GLN 46 13.166 -6.640 9.217 303 2HB GLN 46 1HB GLN 46 14.219 -7.175 10.506 304 1HG GLN 46 2HG GLN 46 14.291 -4.867 11.433 305 2HG GLN 46 1HG GLN 46 13.240 -4.306 10.143 306 1HE2 GLN 46 1HE2 GLN 46 13.317 -5.846 13.234 307 2HE2 GLN 46 2HE2 GLN 46 11.659 -6.185 13.349 308 H ASP 47 H ASP 47 14.238 -7.026 7.004 309 HA ASP 47 HA ASP 47 15.717 -9.459 7.086 310 1HB ASP 47 2HB ASP 47 13.403 -9.449 6.247 311 2HB ASP 47 1HB ASP 47 13.849 -8.338 4.963 312 HA PRO 48 HA PRO 48 19.254 -7.812 4.848 313 1HB PRO 48 2HB PRO 48 19.523 -10.605 3.755 314 2HB PRO 48 1HB PRO 48 20.703 -9.627 4.592 315 1HG PRO 48 2HG PRO 48 19.508 -11.632 5.840 316 2HG PRO 48 1HG PRO 48 19.868 -10.119 6.689 317 1HD PRO 48 2HD PRO 48 17.261 -11.118 5.619 318 2HD PRO 48 1HD PRO 48 17.621 -10.235 7.121 319 H ASP 49 H ASP 49 18.414 -6.502 3.364 320 HA ASP 49 HA ASP 49 17.779 -7.628 0.686 321 1HB ASP 49 2HB ASP 49 15.640 -7.178 1.830 322 2HB ASP 49 1HB ASP 49 16.157 -5.546 2.210 323 H THR 50 H THR 50 17.759 -4.383 2.063 324 HA THR 50 HA THR 50 19.406 -3.385 -0.168 325 HB THR 50 HB THR 50 18.212 -1.823 2.228 326 HG1 THR 50 1HG THR 50 16.695 -3.022 1.032 327 1HG2 THR 50 1HG2 THR 50 19.908 -0.643 0.599 328 2HG2 THR 50 2HG2 THR 50 18.285 0.028 0.562 329 3HG2 THR 50 3HG2 THR 50 18.814 -1.067 -0.700 330 H CYS 51 H CYS 51 19.831 -2.214 3.147 331 HA CYS 51 HA CYS 51 22.725 -2.532 2.888 332 1HB CYS 51 2HB CYS 51 20.856 -1.374 4.916 333 2HB CYS 51 1HB CYS 51 22.510 -1.658 5.368 334 H SER 52 H SER 52 24.086 -3.865 4.141 335 HA SER 52 HA SER 52 22.901 -6.379 4.960 336 1HB SER 52 2HB SER 52 25.298 -6.985 5.364 337 2HB SER 52 1HB SER 52 25.124 -6.200 3.791 338 HG SER 52 HG SER 52 26.669 -5.036 4.745 339 H GLN 53 H GLN 53 23.153 -3.462 6.479 340 HA GLN 53 HA GLN 53 23.009 -4.741 9.157 341 1HB GLN 53 2HB GLN 53 24.673 -2.316 8.436 342 2HB GLN 53 1HB GLN 53 24.375 -2.831 10.075 343 1HG GLN 53 2HG GLN 53 25.841 -4.360 7.889 344 2HG GLN 53 1HG GLN 53 26.540 -3.589 9.306 345 1HE2 GLN 53 1HE2 GLN 53 26.706 -6.434 8.540 346 2HE2 GLN 53 2HE2 GLN 53 26.055 -7.310 9.841 347 H LEU 54 H LEU 54 23.151 -1.270 8.708 348 HA LEU 54 HA LEU 54 20.576 -1.029 10.020 349 1HB LEU 54 2HB LEU 54 22.572 0.040 10.855 350 2HB LEU 54 1HB LEU 54 22.830 0.824 9.316 351 HG LEU 54 HG LEU 54 20.253 1.392 10.836 352 1HD1 LEU 54 1HD1 LEU 54 21.465 3.289 11.855 353 2HD1 LEU 54 2HD1 LEU 54 22.973 2.771 11.101 354 3HD1 LEU 54 3HD1 LEU 54 22.230 1.783 12.353 355 1HD2 LEU 54 1HD2 LEU 54 22.140 2.933 9.036 356 2HD2 LEU 54 2HD2 LEU 54 20.559 3.514 9.563 357 3HD2 LEU 54 3HD2 LEU 54 20.681 2.207 8.411 358 H CYS 55 H CYS 55 19.032 0.214 9.424 359 HA CYS 55 HA CYS 55 18.713 1.472 6.817 360 1HB CYS 55 2HB CYS 55 18.499 -0.883 6.226 361 2HB CYS 55 1HB CYS 55 17.374 -1.198 7.469 362 H VAL 56 H VAL 56 16.114 1.933 6.680 363 HA VAL 56 HA VAL 56 15.000 2.527 9.366 364 HB VAL 56 HB VAL 56 15.356 4.645 7.165 365 1HG1 VAL 56 1HG1 VAL 56 14.419 6.219 8.847 366 2HG1 VAL 56 2HG1 VAL 56 14.202 4.894 9.979 367 3HG1 VAL 56 3HG1 VAL 56 13.269 4.943 8.493 368 1HG2 VAL 56 1HG2 VAL 56 17.511 4.204 8.327 369 2HG2 VAL 56 2HG2 VAL 56 16.730 4.456 9.879 370 3HG2 VAL 56 3HG2 VAL 56 16.891 5.787 8.745 371 H ASN 57 H ASN 57 13.307 1.185 9.062 372 HA ASN 57 HA ASN 57 11.883 1.018 6.517 373 1HB ASN 57 2HB ASN 57 12.162 -0.978 8.025 374 2HB ASN 57 1HB ASN 57 11.148 -0.166 9.211 375 1HD2 ASN 57 1HD2 ASN 57 9.261 -1.421 9.167 376 2HD2 ASN 57 2HD2 ASN 57 8.347 -1.710 7.766 377 H LEU 58 H LEU 58 9.703 1.277 6.311 378 HA LEU 58 HA LEU 58 7.843 2.706 7.940 379 1HB LEU 58 2HB LEU 58 7.810 4.922 6.883 380 2HB LEU 58 1HB LEU 58 9.354 4.659 7.609 381 HG LEU 58 HG LEU 58 8.929 4.243 4.619 382 1HD1 LEU 58 1HD1 LEU 58 8.437 6.610 5.280 383 2HD1 LEU 58 2HD1 LEU 58 9.935 6.502 4.373 384 3HD1 LEU 58 3HD1 LEU 58 9.978 6.693 6.119 385 1HD2 LEU 58 1HD2 LEU 58 10.977 3.181 5.614 386 2HD2 LEU 58 2HD2 LEU 58 11.398 4.720 6.348 387 3HD2 LEU 58 3HD2 LEU 58 11.398 4.542 4.613 388 H GLU 59 H GLU 59 6.723 4.123 5.768 389 HA GLU 59 HA GLU 59 5.210 1.993 4.566 390 1HB GLU 59 2HB GLU 59 4.220 4.299 5.146 391 2HB GLU 59 1HB GLU 59 5.229 5.003 3.899 392 1HG GLU 59 2HG GLU 59 3.966 3.666 2.142 393 2HG GLU 59 1HG GLU 59 2.978 2.981 3.402 394 H GLY 60 H GLY 60 6.694 0.845 3.784 395 1HA GLY 60 2HA GLY 60 7.891 -0.174 2.156 396 2HA GLY 60 1HA GLY 60 6.819 0.685 1.058 397 H GLY 61 H GLY 61 8.282 3.016 2.760 398 1HA GLY 61 2HA GLY 61 10.169 3.718 0.621 399 2HA GLY 61 1HA GLY 61 9.675 4.742 1.959 400 H TYR 62 H TYR 62 10.879 1.625 2.641 401 HA TYR 62 HA TYR 62 12.735 2.142 4.532 402 1HB TYR 62 2HB TYR 62 14.051 0.165 3.879 403 2HB TYR 62 1HB TYR 62 12.342 -0.152 3.765 404 HD1 TYR 62 1HD TYR 62 11.257 0.142 1.394 405 HD2 TYR 62 2HD TYR 62 15.458 -0.102 2.000 406 HE1 TYR 62 1HE TYR 62 11.565 -0.391 -0.973 407 HE2 TYR 62 2HE TYR 62 15.767 -0.633 -0.367 408 HH TYR 62 HH TYR 62 14.167 -1.766 -2.215 409 H LYS 63 H LYS 63 14.624 3.152 4.855 410 HA LYS 63 HA LYS 63 16.178 4.046 2.489 411 1HB LYS 63 2HB LYS 63 16.311 5.082 5.298 412 2HB LYS 63 1HB LYS 63 16.992 5.743 3.861 413 1HG LYS 63 2HG LYS 63 14.782 6.247 2.883 414 2HG LYS 63 1HG LYS 63 13.989 5.552 4.282 415 1HD LYS 63 2HD LYS 63 14.008 7.996 4.475 416 2HD LYS 63 1HD LYS 63 14.987 7.291 5.744 417 1HE LYS 63 2HE LYS 63 17.057 7.792 4.440 418 2HE LYS 63 1HE LYS 63 16.079 8.465 3.142 419 1HZ LYS 63 1HZ LYS 63 15.153 9.897 5.107 420 2HZ LYS 63 2HZ LYS 63 16.584 10.322 4.297 421 3HZ LYS 63 3HZ LYS 63 16.660 9.527 5.796 422 H CYS 64 H CYS 64 18.268 3.718 2.555 423 HA CYS 64 HA CYS 64 19.384 1.730 4.485 424 1HB CYS 64 2HB CYS 64 19.019 1.038 2.311 425 2HB CYS 64 1HB CYS 64 19.963 2.371 1.695 426 H GLN 65 H GLN 65 21.171 1.937 5.157 427 HA GLN 65 HA GLN 65 23.148 4.067 4.660 428 1HB GLN 65 2HB GLN 65 22.029 4.030 7.480 429 2HB GLN 65 1HB GLN 65 23.125 5.159 6.787 430 1HG GLN 65 2HG GLN 65 21.444 6.157 5.347 431 2HG GLN 65 1HG GLN 65 20.226 5.024 5.927 432 1HE2 GLN 65 1HE2 GLN 65 22.092 7.878 6.783 433 2HE2 GLN 65 2HE2 GLN 65 21.266 8.204 8.230 434 H CYS 66 H CYS 66 24.745 3.923 6.757 435 HA CYS 66 HA CYS 66 25.392 1.021 6.954 436 1HB CYS 66 2HB CYS 66 27.229 3.394 7.260 437 2HB CYS 66 1HB CYS 66 27.606 1.747 7.101 438 H GLU 67 H GLU 67 26.631 0.293 8.597 439 HA GLU 67 HA GLU 67 25.501 0.842 11.246 440 1HB GLU 67 2HB GLU 67 25.780 -1.445 10.256 441 2HB GLU 67 1HB GLU 67 27.506 -1.231 10.270 442 1HG GLU 67 2HG GLU 67 27.481 -1.068 12.775 443 2HG GLU 67 1HG GLU 67 25.735 -1.246 12.750 444 H GLU 68 H GLU 68 26.660 3.001 10.826 445 HA GLU 68 HA GLU 68 28.255 4.557 11.466 446 1HB GLU 68 2HB GLU 68 28.970 2.354 13.478 447 2HB GLU 68 1HB GLU 68 29.518 4.005 13.582 448 1HG GLU 68 2HG GLU 68 27.571 3.662 15.058 449 2HG GLU 68 1HG GLU 68 27.129 4.767 13.775 450 H GLY 69 H GLY 69 30.279 1.787 12.204 451 1HA GLY 69 2HA GLY 69 32.625 2.742 11.028 452 2HA GLY 69 1HA GLY 69 32.332 1.058 11.436 453 H PHE 70 H PHE 70 29.935 1.069 9.621 454 HA PHE 70 HA PHE 70 31.301 0.217 7.286 455 1HB PHE 70 2HB PHE 70 28.415 0.355 8.115 456 2HB PHE 70 1HB PHE 70 28.836 -0.170 6.498 457 HD1 PHE 70 1HD PHE 70 27.818 -2.323 6.796 458 HD2 PHE 70 2HD PHE 70 30.889 -1.096 9.477 459 HE1 PHE 70 1HE PHE 70 28.015 -4.613 7.645 460 HE2 PHE 70 2HE PHE 70 31.068 -3.376 10.328 461 HZ PHE 70 HZ PHE 70 29.635 -5.151 9.410 462 H GLN 71 H GLN 71 30.733 0.979 5.101 463 HA GLN 71 HA GLN 71 29.820 3.744 4.915 464 1HB GLN 71 2HB GLN 71 32.437 2.541 4.124 465 2HB GLN 71 1HB GLN 71 31.793 3.748 3.068 466 1HG GLN 71 2HG GLN 71 32.233 4.115 6.082 467 2HG GLN 71 1HG GLN 71 33.288 4.766 4.829 468 1HE2 GLN 71 1HE2 GLN 71 31.971 6.512 6.619 469 2HE2 GLN 71 2HE2 GLN 71 30.799 7.404 5.775 470 H LEU 72 H LEU 72 29.778 4.412 2.669 471 HA LEU 72 HA LEU 72 27.870 2.643 1.313 472 1HB LEU 72 2HB LEU 72 27.555 5.115 1.406 473 2HB LEU 72 1HB LEU 72 28.989 5.324 0.421 474 HG LEU 72 HG LEU 72 27.876 3.872 -1.356 475 1HD1 LEU 72 1HD1 LEU 72 25.418 4.211 0.399 476 2HD1 LEU 72 2HD1 LEU 72 26.232 2.692 0.066 477 3HD1 LEU 72 3HD1 LEU 72 25.424 3.556 -1.227 478 1HD2 LEU 72 1HD2 LEU 72 26.357 5.687 -2.136 479 2HD2 LEU 72 2HD2 LEU 72 27.857 6.350 -1.502 480 3HD2 LEU 72 3HD2 LEU 72 26.391 6.402 -0.529 481 H ASP 73 H ASP 73 28.812 0.939 0.421 482 HA ASP 73 HA ASP 73 31.375 0.985 -0.943 483 1HB ASP 73 2HB ASP 73 30.414 -1.096 0.130 484 2HB ASP 73 1HB ASP 73 29.170 -1.129 -1.104 485 HA PRO 74 HA PRO 74 29.577 2.528 -4.765 486 1HB PRO 74 2HB PRO 74 31.722 2.427 -6.369 487 2HB PRO 74 1HB PRO 74 31.665 3.540 -5.024 488 1HG PRO 74 2HG PRO 74 32.989 0.857 -5.144 489 2HG PRO 74 1HG PRO 74 33.625 2.399 -4.542 490 1HD PRO 74 2HD PRO 74 32.609 0.492 -2.899 491 2HD PRO 74 1HD PRO 74 32.526 2.224 -2.529 492 H HIS 75 H HIS 75 29.250 1.883 -6.962 493 HA HIS 75 HA HIS 75 28.521 0.424 -8.622 494 1HB HIS 75 2HB HIS 75 30.575 -1.496 -7.422 495 2HB HIS 75 1HB HIS 75 29.838 -1.619 -9.012 496 HD1 HIS 75 1HD HIS 75 32.234 0.516 -7.144 497 HD2 HIS 75 2HD HIS 75 30.917 0.083 -10.985 498 HE1 HIS 75 1HE HIS 75 33.723 1.896 -8.548 499 H THR 76 H THR 76 27.932 -0.011 -5.530 500 HA THR 76 HA THR 76 25.893 -2.133 -5.947 501 HB THR 76 HB THR 76 26.487 -3.068 -3.652 502 HG1 THR 76 1HG THR 76 28.478 -2.280 -2.833 503 1HG2 THR 76 1HG2 THR 76 27.687 -4.082 -5.731 504 2HG2 THR 76 2HG2 THR 76 28.657 -4.146 -4.269 505 3HG2 THR 76 3HG2 THR 76 28.971 -2.913 -5.477 506 H LYS 77 H LYS 77 27.173 0.388 -4.036 507 HA LYS 77 HA LYS 77 26.258 2.126 -2.777 508 1HB LYS 77 2HB LYS 77 23.753 1.240 -3.998 509 2HB LYS 77 1HB LYS 77 23.918 2.749 -3.145 510 1HG LYS 77 2HG LYS 77 25.722 3.426 -4.782 511 2HG LYS 77 1HG LYS 77 25.421 1.965 -5.698 512 1HD LYS 77 2HD LYS 77 23.388 4.174 -5.185 513 2HD LYS 77 1HD LYS 77 24.257 3.923 -6.683 514 1HE LYS 77 2HE LYS 77 23.169 1.685 -6.935 515 2HE LYS 77 1HE LYS 77 22.276 1.956 -5.444 516 1HZ LYS 77 1HZ LYS 77 22.117 3.619 -7.883 517 2HZ LYS 77 2HZ LYS 77 21.291 3.920 -6.431 518 3HZ LYS 77 3HZ LYS 77 20.945 2.521 -7.330 519 H ALA 78 H ALA 78 26.210 -0.856 -2.080 520 HA ALA 78 HA ALA 78 24.212 -0.945 0.114 521 1HB ALA 78 1HB ALA 78 24.875 -3.340 0.247 522 2HB ALA 78 2HB ALA 78 26.119 -3.065 -0.965 523 3HB ALA 78 3HB ALA 78 24.421 -2.916 -1.398 524 H CYS 79 H CYS 79 24.863 -1.115 2.262 525 HA CYS 79 HA CYS 79 27.532 -0.061 2.820 526 1HB CYS 79 2HB CYS 79 25.181 -0.601 4.580 527 2HB CYS 79 1HB CYS 79 26.713 -0.075 5.209 528 H LYS 80 H LYS 80 29.071 -0.829 3.976 529 HA LYS 80 HA LYS 80 28.976 -3.363 5.391 530 1HB LYS 80 2HB LYS 80 30.754 -4.334 4.237 531 2HB LYS 80 1HB LYS 80 29.300 -4.323 3.255 532 1HG LYS 80 2HG LYS 80 31.072 -3.822 1.696 533 2HG LYS 80 1HG LYS 80 30.264 -2.302 1.994 534 1HD LYS 80 2HD LYS 80 32.080 -1.584 3.498 535 2HD LYS 80 1HD LYS 80 32.845 -3.162 3.369 536 1HE LYS 80 2HE LYS 80 33.179 -2.684 0.929 537 2HE LYS 80 1HE LYS 80 32.397 -1.119 1.154 538 1HZ LYS 80 1HZ LYS 80 34.752 -0.869 1.253 539 2HZ LYS 80 2HZ LYS 80 34.879 -2.043 2.473 540 3HZ LYS 80 3HZ LYS 80 34.100 -0.571 2.793 541 H ALA 81 H ALA 81 31.319 -3.808 6.293 542 HA ALA 81 HA ALA 81 32.312 -1.643 7.758 543 1HB ALA 81 1HB ALA 81 33.857 -4.073 6.786 544 2HB ALA 81 2HB ALA 81 32.879 -3.986 8.243 545 3HB ALA 81 3HB ALA 81 34.344 -3.025 8.111 546 H VAL 82 H VAL 82 33.319 0.194 7.236 547 HA VAL 82 HA VAL 82 34.069 1.030 4.733 548 HB VAL 82 HB VAL 82 33.869 2.509 6.698 549 1HG1 VAL 82 1HG1 VAL 82 35.710 2.650 8.369 550 2HG1 VAL 82 2HG1 VAL 82 36.545 1.320 7.583 551 3HG1 VAL 82 3HG1 VAL 82 35.015 1.040 8.381 552 1HG2 VAL 82 1HG2 VAL 82 36.617 2.726 5.401 553 2HG2 VAL 82 2HG2 VAL 82 35.783 4.013 6.253 554 3HG2 VAL 82 3HG2 VAL 82 35.121 3.381 4.757 Start of MODEL 12 1 H GLY 1 H GLY 1 -20.019 -3.705 -6.518 2 1HA GLY 1 2HA GLY 1 -22.897 -4.486 -6.592 3 2HA GLY 1 1HA GLY 1 -21.820 -5.113 -5.343 4 H THR 2 H THR 2 -22.618 -4.173 -3.564 5 HA THR 2 HA THR 2 -23.755 -1.659 -3.262 6 HB THR 2 HB THR 2 -22.352 -3.503 -1.291 7 HG1 THR 2 1HG THR 2 -24.137 -4.300 -2.351 8 1HG2 THR 2 1HG2 THR 2 -23.626 -2.446 0.525 9 2HG2 THR 2 2HG2 THR 2 -24.295 -1.253 -0.581 10 3HG2 THR 2 3HG2 THR 2 -22.587 -1.236 -0.175 11 H ASN 3 H ASN 3 -22.889 -0.020 -1.689 12 HA ASN 3 HA ASN 3 -20.064 0.760 -2.233 13 1HB ASN 3 2HB ASN 3 -21.930 1.921 -3.516 14 2HB ASN 3 1HB ASN 3 -22.522 2.534 -2.000 15 1HD2 ASN 3 1HD2 ASN 3 -19.534 2.788 -1.051 16 2HD2 ASN 3 2HD2 ASN 3 -19.052 4.251 -1.760 17 H GLU 4 H GLU 4 -19.904 -0.533 -0.192 18 HA GLU 4 HA GLU 4 -21.184 0.222 2.224 19 1HB GLU 4 2HB GLU 4 -18.410 -1.002 2.155 20 2HB GLU 4 1HB GLU 4 -19.675 -1.112 3.344 21 1HG GLU 4 2HG GLU 4 -19.606 -3.247 2.325 22 2HG GLU 4 1HG GLU 4 -21.055 -2.463 1.722 23 H CYS 5 H CYS 5 -18.810 1.881 0.483 24 HA CYS 5 HA CYS 5 -17.290 2.899 2.627 25 1HB CYS 5 2HB CYS 5 -17.726 3.760 -0.206 26 2HB CYS 5 1HB CYS 5 -16.768 4.728 0.853 27 H LEU 6 H LEU 6 -20.203 3.869 1.128 28 HA LEU 6 HA LEU 6 -20.571 6.524 1.727 29 1HB LEU 6 2HB LEU 6 -22.592 4.273 1.958 30 2HB LEU 6 1HB LEU 6 -22.988 5.969 1.760 31 HG LEU 6 HG LEU 6 -21.379 4.302 -0.221 32 1HD1 LEU 6 1HD1 LEU 6 -24.247 5.354 -0.329 33 2HD1 LEU 6 2HD1 LEU 6 -23.786 3.670 -0.123 34 3HD1 LEU 6 3HD1 LEU 6 -23.443 4.500 -1.635 35 1HD2 LEU 6 1HD2 LEU 6 -22.482 7.144 -0.490 36 2HD2 LEU 6 2HD2 LEU 6 -21.660 6.249 -1.756 37 3HD2 LEU 6 3HD2 LEU 6 -20.783 6.738 -0.325 38 H ASP 7 H ASP 7 -21.383 3.791 3.767 39 HA ASP 7 HA ASP 7 -21.567 5.493 6.229 40 1HB ASP 7 2HB ASP 7 -23.452 3.846 5.551 41 2HB ASP 7 1HB ASP 7 -22.262 2.569 5.747 42 H ASN 8 H ASN 8 -20.830 3.396 7.929 43 HA ASN 8 HA ASN 8 -18.090 3.628 8.178 44 1HB ASN 8 2HB ASN 8 -19.815 1.367 8.877 45 2HB ASN 8 1HB ASN 8 -18.231 1.611 9.582 46 1HD2 ASN 8 1HD2 ASN 8 -17.952 3.740 10.794 47 2HD2 ASN 8 2HD2 ASN 8 -19.298 4.387 11.603 48 H ASN 9 H ASN 9 -16.616 3.085 6.659 49 HA ASN 9 HA ASN 9 -16.895 1.750 4.299 50 1HB ASN 9 2HB ASN 9 -14.918 3.045 5.023 51 2HB ASN 9 1HB ASN 9 -14.459 1.704 6.073 52 1HD2 ASN 9 1HD2 ASN 9 -13.738 -0.257 5.128 53 2HD2 ASN 9 2HD2 ASN 9 -13.209 -0.329 3.529 54 H GLY 10 H GLY 10 -18.185 -0.034 4.442 55 1HA GLY 10 2HA GLY 10 -18.725 -2.308 4.634 56 2HA GLY 10 1HA GLY 10 -17.006 -2.568 4.453 57 H GLY 11 H GLY 11 -17.807 -0.643 7.084 58 1HA GLY 11 2HA GLY 11 -18.733 -1.654 9.265 59 2HA GLY 11 1HA GLY 11 -17.441 -2.842 9.062 60 H CYS 12 H CYS 12 -15.550 -0.977 7.962 61 HA CYS 12 HA CYS 12 -14.679 0.401 10.428 62 1HB CYS 12 2HB CYS 12 -12.511 0.200 9.474 63 2HB CYS 12 1HB CYS 12 -13.332 -1.338 9.296 64 H SER 13 H SER 13 -12.825 1.727 8.284 65 HA SER 13 HA SER 13 -14.453 3.673 6.921 66 1HB SER 13 2HB SER 13 -13.605 5.641 8.265 67 2HB SER 13 1HB SER 13 -14.553 4.544 9.279 68 HG SER 13 HG SER 13 -11.729 4.530 8.955 69 H HIS 14 H HIS 14 -12.531 1.750 6.280 70 HA HIS 14 HA HIS 14 -10.141 3.267 5.408 71 1HB HIS 14 2HB HIS 14 -10.707 0.274 5.623 72 2HB HIS 14 1HB HIS 14 -9.183 0.995 5.177 73 HD1 HIS 14 1HD HIS 14 -9.620 -0.733 7.743 74 HD2 HIS 14 2HD HIS 14 -9.483 3.348 7.754 75 HE1 HIS 14 1HE HIS 14 -9.015 -0.064 10.038 76 H VAL 15 H VAL 15 -10.437 0.514 3.640 77 HA VAL 15 HA VAL 15 -11.730 1.866 1.327 78 HB VAL 15 HB VAL 15 -9.322 1.471 1.233 79 1HG1 VAL 15 1HG1 VAL 15 -9.032 -0.487 2.607 80 2HG1 VAL 15 2HG1 VAL 15 -8.347 -0.785 1.021 81 3HG1 VAL 15 3HG1 VAL 15 -9.881 -1.500 1.452 82 1HG2 VAL 15 1HG2 VAL 15 -9.299 0.254 -1.007 83 2HG2 VAL 15 2HG2 VAL 15 -10.630 1.396 -0.910 84 3HG2 VAL 15 3HG2 VAL 15 -10.925 -0.320 -0.682 85 H CYS 16 H CYS 16 -13.696 1.064 0.890 86 HA CYS 16 HA CYS 16 -14.585 -1.493 1.937 87 1HB CYS 16 2HB CYS 16 -16.689 -0.888 0.863 88 2HB CYS 16 1HB CYS 16 -16.109 0.448 1.800 89 H ASN 17 H ASN 17 -13.285 -3.075 0.958 90 HA ASN 17 HA ASN 17 -12.983 -3.088 -1.969 91 1HB ASN 17 2HB ASN 17 -11.116 -3.743 -0.666 92 2HB ASN 17 1HB ASN 17 -12.029 -4.810 0.349 93 1HD2 ASN 17 1HD2 ASN 17 -11.953 -6.976 -0.296 94 2HD2 ASN 17 2HD2 ASN 17 -11.489 -7.522 -1.830 95 H ASP 18 H ASP 18 -14.845 -3.179 -2.625 96 HA ASP 18 HA ASP 18 -17.155 -4.471 -1.790 97 1HB ASP 18 2HB ASP 18 -16.959 -2.619 -3.511 98 2HB ASP 18 1HB ASP 18 -16.481 -3.830 -4.675 99 H LEU 19 H LEU 19 -16.541 -6.568 -1.183 100 HA LEU 19 HA LEU 19 -15.691 -8.599 -2.972 101 1HB LEU 19 2HB LEU 19 -15.689 -8.396 -0.335 102 2HB LEU 19 1HB LEU 19 -17.353 -8.893 -0.460 103 HG LEU 19 HG LEU 19 -16.682 -11.005 -1.591 104 1HD1 LEU 19 1HD1 LEU 19 -14.512 -10.127 -2.511 105 2HD1 LEU 19 2HD1 LEU 19 -14.257 -11.566 -1.544 106 3HD1 LEU 19 3HD1 LEU 19 -13.906 -9.975 -0.873 107 1HD2 LEU 19 1HD2 LEU 19 -15.405 -10.416 1.106 108 2HD2 LEU 19 2HD2 LEU 19 -15.826 -12.015 0.505 109 3HD2 LEU 19 3HD2 LEU 19 -17.080 -10.838 0.821 110 H LYS 20 H LYS 20 -17.216 -10.572 -3.355 111 HA LYS 20 HA LYS 20 -19.554 -9.604 -4.767 112 1HB LYS 20 2HB LYS 20 -19.898 -11.999 -5.315 113 2HB LYS 20 1HB LYS 20 -18.223 -11.548 -5.553 114 1HG LYS 20 2HG LYS 20 -17.633 -12.559 -3.341 115 2HG LYS 20 1HG LYS 20 -19.308 -13.046 -3.132 116 1HD LYS 20 2HD LYS 20 -19.203 -14.405 -5.200 117 2HD LYS 20 1HD LYS 20 -17.522 -13.950 -5.414 118 1HE LYS 20 2HE LYS 20 -17.702 -16.169 -4.323 119 2HE LYS 20 1HE LYS 20 -16.954 -15.014 -3.231 120 1HZ LYS 20 1HZ LYS 20 -18.848 -14.858 -1.958 121 2HZ LYS 20 2HZ LYS 20 -18.817 -16.507 -2.368 122 3HZ LYS 20 3HZ LYS 20 -19.865 -15.447 -3.184 123 H ILE 21 H ILE 21 -18.980 -11.496 -1.828 124 HA ILE 21 HA ILE 21 -21.518 -10.617 -0.644 125 HB ILE 21 HB ILE 21 -20.591 -13.511 -0.937 126 1HG1 ILE 21 2HG1 ILE 21 -23.083 -12.138 -2.058 127 2HG1 ILE 21 1HG1 ILE 21 -21.696 -12.647 -2.999 128 1HG2 ILE 21 1HG2 ILE 21 -21.566 -13.069 1.286 129 2HG2 ILE 21 2HG2 ILE 21 -22.660 -14.072 0.358 130 3HG2 ILE 21 3HG2 ILE 21 -22.987 -12.350 0.537 131 1HD1 ILE 21 1HD1 ILE 21 -23.522 -14.542 -1.475 132 2HD1 ILE 21 2HD1 ILE 21 -22.109 -15.007 -2.408 133 3HD1 ILE 21 3HD1 ILE 21 -23.497 -14.289 -3.207 134 H GLY 22 H GLY 22 -20.871 -9.752 1.261 135 1HA GLY 22 2HA GLY 22 -20.009 -9.749 3.428 136 2HA GLY 22 1HA GLY 22 -19.067 -11.159 3.005 137 H TYR 23 H TYR 23 -19.355 -7.953 1.776 138 HA TYR 23 HA TYR 23 -17.022 -7.173 0.708 139 1HB TYR 23 2HB TYR 23 -18.401 -5.404 2.699 140 2HB TYR 23 1HB TYR 23 -17.475 -4.925 1.299 141 HD1 TYR 23 1HD TYR 23 -18.288 -5.920 -1.016 142 HD2 TYR 23 2HD TYR 23 -20.745 -5.621 2.420 143 HE1 TYR 23 1HE TYR 23 -20.277 -6.054 -2.446 144 HE2 TYR 23 2HE TYR 23 -22.750 -5.758 0.998 145 HH TYR 23 HH TYR 23 -23.511 -6.235 -1.079 146 H GLU 24 H GLU 24 -15.179 -6.033 1.256 147 HA GLU 24 HA GLU 24 -14.036 -6.727 3.896 148 1HB GLU 24 2HB GLU 24 -12.785 -6.277 1.228 149 2HB GLU 24 1HB GLU 24 -11.900 -6.663 2.670 150 1HG GLU 24 2HG GLU 24 -13.992 -8.335 1.259 151 2HG GLU 24 1HG GLU 24 -12.258 -8.607 1.219 152 H CYS 25 H CYS 25 -12.377 -5.542 4.651 153 HA CYS 25 HA CYS 25 -12.367 -2.673 4.225 154 1HB CYS 25 2HB CYS 25 -13.579 -3.050 6.359 155 2HB CYS 25 1HB CYS 25 -12.355 -4.189 6.886 156 H LEU 26 H LEU 26 -10.575 -3.398 2.833 157 HA LEU 26 HA LEU 26 -8.264 -4.668 4.026 158 1HB LEU 26 2HB LEU 26 -8.365 -3.070 1.454 159 2HB LEU 26 1HB LEU 26 -7.256 -4.325 1.888 160 HG LEU 26 HG LEU 26 -10.209 -4.777 1.395 161 1HD1 LEU 26 1HD1 LEU 26 -7.785 -5.600 -0.256 162 2HD1 LEU 26 2HD1 LEU 26 -8.973 -4.386 -0.701 163 3HD1 LEU 26 3HD1 LEU 26 -9.434 -6.075 -0.586 164 1HD2 LEU 26 1HD2 LEU 26 -9.390 -6.354 3.100 165 2HD2 LEU 26 2HD2 LEU 26 -8.065 -6.828 2.045 166 3HD2 LEU 26 3HD2 LEU 26 -9.726 -7.184 1.593 167 H CYS 27 H CYS 27 -6.190 -3.308 3.151 168 HA CYS 27 HA CYS 27 -5.991 -1.072 5.022 169 1HB CYS 27 2HB CYS 27 -3.971 -2.611 3.425 170 2HB CYS 27 1HB CYS 27 -3.573 -1.338 4.550 171 HA PRO 28 HA PRO 28 -6.649 2.081 1.867 172 1HB PRO 28 2HB PRO 28 -4.748 3.487 3.737 173 2HB PRO 28 1HB PRO 28 -6.213 4.084 3.006 174 1HG PRO 28 2HG PRO 28 -6.291 3.325 5.500 175 2HG PRO 28 1HG PRO 28 -7.606 2.824 4.416 176 1HD PRO 28 2HD PRO 28 -5.296 1.231 5.444 177 2HD PRO 28 1HD PRO 28 -6.986 0.749 5.176 178 H ASP 29 H ASP 29 -3.452 1.849 3.291 179 HA ASP 29 HA ASP 29 -2.061 2.683 0.884 180 1HB ASP 29 2HB ASP 29 -0.061 2.395 2.273 181 2HB ASP 29 1HB ASP 29 -1.275 3.271 3.163 182 H GLY 30 H GLY 30 0.025 1.300 0.540 183 1HA GLY 30 2HA GLY 30 -0.625 -0.889 -1.028 184 2HA GLY 30 1HA GLY 30 0.988 -0.513 -0.481 185 H PHE 31 H PHE 31 -0.193 -1.008 2.420 186 HA PHE 31 HA PHE 31 0.860 -3.622 2.667 187 1HB PHE 31 2HB PHE 31 -0.870 -1.940 4.459 188 2HB PHE 31 1HB PHE 31 -0.273 -3.490 4.976 189 HD1 PHE 31 1HD PHE 31 0.809 -2.150 6.806 190 HD2 PHE 31 2HD PHE 31 2.004 -1.736 2.735 191 HE1 PHE 31 1HE PHE 31 2.908 -1.053 7.503 192 HE2 PHE 31 2HE PHE 31 4.048 -0.649 3.424 193 HZ PHE 31 HZ PHE 31 4.530 -0.314 5.780 194 H GLN 32 H GLN 32 -0.140 -5.326 3.818 195 HA GLN 32 HA GLN 32 -2.684 -6.154 2.425 196 1HB GLN 32 2HB GLN 32 -0.461 -7.349 2.038 197 2HB GLN 32 1HB GLN 32 -0.518 -7.819 3.722 198 1HG GLN 32 2HG GLN 32 -2.608 -8.617 1.681 199 2HG GLN 32 1HG GLN 32 -1.234 -9.617 2.106 200 1HE2 GLN 32 1HE2 GLN 32 -4.446 -9.200 2.746 201 2HE2 GLN 32 2HE2 GLN 32 -4.510 -9.894 4.292 202 H LEU 33 H LEU 33 -4.248 -7.220 3.789 203 HA LEU 33 HA LEU 33 -4.352 -6.039 6.490 204 1HB LEU 33 2HB LEU 33 -6.313 -6.133 4.829 205 2HB LEU 33 1HB LEU 33 -6.415 -7.846 5.176 206 HG LEU 33 HG LEU 33 -6.728 -7.272 7.635 207 1HD1 LEU 33 1HD1 LEU 33 -6.955 -4.419 6.548 208 2HD1 LEU 33 2HD1 LEU 33 -5.668 -4.983 7.596 209 3HD1 LEU 33 3HD1 LEU 33 -7.309 -4.926 8.180 210 1HD2 LEU 33 1HD2 LEU 33 -8.683 -7.735 6.203 211 2HD2 LEU 33 2HD2 LEU 33 -8.747 -6.042 5.732 212 3HD2 LEU 33 3HD2 LEU 33 -9.065 -6.506 7.389 213 H VAL 34 H VAL 34 -4.517 -7.188 8.477 214 HA VAL 34 HA VAL 34 -3.960 -10.128 8.316 215 HB VAL 34 HB VAL 34 -2.452 -8.155 10.101 216 1HG1 VAL 34 1HG1 VAL 34 -2.033 -11.142 9.656 217 2HG1 VAL 34 2HG1 VAL 34 -2.666 -10.430 11.129 218 3HG1 VAL 34 3HG1 VAL 34 -1.016 -10.105 10.641 219 1HG2 VAL 34 1HG2 VAL 34 -0.517 -8.665 8.680 220 2HG2 VAL 34 2HG2 VAL 34 -1.788 -7.919 7.732 221 3HG2 VAL 34 3HG2 VAL 34 -1.525 -9.652 7.630 222 H ALA 35 H ALA 35 -3.804 -8.427 11.325 223 HA ALA 35 HA ALA 35 -5.801 -10.070 12.492 224 1HB ALA 35 1HB ALA 35 -3.737 -9.554 13.696 225 2HB ALA 35 2HB ALA 35 -5.097 -8.911 14.600 226 3HB ALA 35 3HB ALA 35 -4.092 -7.837 13.645 227 H GLN 36 H GLN 36 -7.300 -9.132 10.972 228 HA GLN 36 HA GLN 36 -9.399 -8.201 10.642 229 1HB GLN 36 2HB GLN 36 -9.003 -6.721 13.301 230 2HB GLN 36 1HB GLN 36 -10.493 -6.884 12.416 231 1HG GLN 36 2HG GLN 36 -8.943 -9.237 13.592 232 2HG GLN 36 1HG GLN 36 -10.388 -8.525 14.285 233 1HE2 GLN 36 1HE2 GLN 36 -12.424 -8.730 13.022 234 2HE2 GLN 36 2HE2 GLN 36 -12.593 -9.993 11.900 235 H ARG 37 H ARG 37 -7.350 -5.710 12.135 236 HA ARG 37 HA ARG 37 -7.818 -3.955 9.754 237 1HB ARG 37 2HB ARG 37 -7.654 -3.029 12.607 238 2HB ARG 37 1HB ARG 37 -7.984 -2.062 11.175 239 1HG ARG 37 2HG ARG 37 -9.820 -4.254 12.225 240 2HG ARG 37 1HG ARG 37 -10.041 -2.547 12.508 241 1HD ARG 37 2HD ARG 37 -10.305 -2.156 10.060 242 2HD ARG 37 1HD ARG 37 -10.043 -3.863 9.747 243 HE ARG 37 HE ARG 37 -12.233 -4.286 10.412 244 1HH1 ARG 37 2HH1 ARG 37 -11.218 -1.189 11.597 245 2HH1 ARG 37 1HH1 ARG 37 -12.788 -0.779 12.197 246 1HH2 ARG 37 1HH2 ARG 37 -14.227 -3.784 11.162 247 2HH2 ARG 37 2HH2 ARG 37 -14.518 -2.268 11.947 248 H ARG 38 H ARG 38 -5.609 -5.670 11.427 249 HA ARG 38 HA ARG 38 -3.441 -3.712 11.608 250 1HB ARG 38 2HB ARG 38 -3.595 -5.615 13.172 251 2HB ARG 38 1HB ARG 38 -3.409 -6.738 11.837 252 1HG ARG 38 2HG ARG 38 -1.150 -5.810 11.352 253 2HG ARG 38 1HG ARG 38 -1.342 -4.656 12.663 254 1HD ARG 38 2HD ARG 38 -1.525 -6.536 14.280 255 2HD ARG 38 1HD ARG 38 -1.328 -7.694 12.962 256 HE ARG 38 HE ARG 38 0.869 -6.067 12.678 257 1HH1 ARG 38 2HH1 ARG 38 -0.509 -7.820 15.334 258 2HH1 ARG 38 1HH1 ARG 38 1.018 -8.068 16.109 259 1HH2 ARG 38 1HH2 ARG 38 2.811 -6.375 13.638 260 2HH2 ARG 38 2HH2 ARG 38 2.929 -7.239 15.134 261 H CYS 39 H CYS 39 -2.430 -2.993 9.915 262 HA CYS 39 HA CYS 39 -2.282 -4.569 7.425 263 1HB CYS 39 2HB CYS 39 -1.657 -1.683 8.042 264 2HB CYS 39 1HB CYS 39 -1.641 -2.398 6.444 265 H GLU 40 H GLU 40 -0.492 -5.473 6.636 266 HA GLU 40 HA GLU 40 2.071 -5.096 8.043 267 1HB GLU 40 2HB GLU 40 2.620 -7.271 7.158 268 2HB GLU 40 1HB GLU 40 1.129 -7.360 8.068 269 1HG GLU 40 2HG GLU 40 -0.130 -7.160 5.877 270 2HG GLU 40 1HG GLU 40 1.389 -7.108 5.027 271 H ASP 41 H ASP 41 3.874 -4.817 7.020 272 HA ASP 41 HA ASP 41 3.841 -3.597 4.350 273 1HB ASP 41 2HB ASP 41 5.106 -2.508 6.291 274 2HB ASP 41 1HB ASP 41 6.101 -3.931 6.368 275 H ILE 42 H ILE 42 5.628 -4.047 2.962 276 HA ILE 42 HA ILE 42 6.321 -6.861 2.735 277 HB ILE 42 HB ILE 42 4.771 -6.188 0.917 278 1HG1 ILE 42 2HG1 ILE 42 7.636 -6.241 -0.111 279 2HG1 ILE 42 1HG1 ILE 42 6.647 -7.642 0.251 280 1HG2 ILE 42 1HG2 ILE 42 6.592 -3.799 0.381 281 2HG2 ILE 42 2HG2 ILE 42 4.998 -3.735 1.104 282 3HG2 ILE 42 3HG2 ILE 42 5.187 -4.231 -0.560 283 1HD1 ILE 42 1HD1 ILE 42 6.049 -5.582 -1.921 284 2HD1 ILE 42 2HD1 ILE 42 5.050 -6.977 -1.543 285 3HD1 ILE 42 3HD1 ILE 42 6.674 -7.199 -2.173 286 H ASP 43 H ASP 43 8.536 -7.082 3.017 287 HA ASP 43 HA ASP 43 10.145 -4.566 3.085 288 1HB ASP 43 2HB ASP 43 10.058 -6.151 5.056 289 2HB ASP 43 1HB ASP 43 10.905 -7.335 4.080 290 H GLU 44 H GLU 44 11.229 -4.047 1.419 291 HA GLU 44 HA GLU 44 11.902 -5.879 -0.735 292 1HB GLU 44 2HB GLU 44 12.728 -2.978 -0.488 293 2HB GLU 44 1HB GLU 44 12.525 -3.944 -1.934 294 1HG GLU 44 2HG GLU 44 10.772 -2.433 -1.822 295 2HG GLU 44 1HG GLU 44 10.075 -4.018 -1.586 296 H CYS 45 H CYS 45 13.499 -4.340 1.973 297 HA CYS 45 HA CYS 45 16.142 -4.360 1.107 298 1HB CYS 45 2HB CYS 45 15.064 -4.794 3.905 299 2HB CYS 45 1HB CYS 45 16.701 -4.541 3.515 300 H GLN 46 H GLN 46 14.583 -6.579 3.191 301 HA GLN 46 HA GLN 46 16.336 -8.596 3.651 302 1HB GLN 46 2HB GLN 46 13.389 -8.845 2.965 303 2HB GLN 46 1HB GLN 46 14.324 -10.114 3.708 304 1HG GLN 46 2HG GLN 46 13.952 -7.327 4.878 305 2HG GLN 46 1HG GLN 46 13.050 -8.739 5.405 306 1HE2 GLN 46 1HE2 GLN 46 14.418 -10.554 6.347 307 2HE2 GLN 46 2HE2 GLN 46 15.852 -10.142 7.156 308 H ASP 47 H ASP 47 14.480 -8.282 0.695 309 HA ASP 47 HA ASP 47 15.512 -10.686 -0.437 310 1HB ASP 47 2HB ASP 47 13.275 -9.835 -1.075 311 2HB ASP 47 1HB ASP 47 14.005 -8.384 -1.743 312 HA PRO 48 HA PRO 48 19.242 -8.562 -1.812 313 1HB PRO 48 2HB PRO 48 20.478 -10.621 -3.049 314 2HB PRO 48 1HB PRO 48 20.271 -10.597 -1.315 315 1HG PRO 48 2HG PRO 48 18.626 -12.035 -3.357 316 2HG PRO 48 1HG PRO 48 19.246 -12.620 -1.803 317 1HD PRO 48 2HD PRO 48 16.690 -11.736 -2.174 318 2HD PRO 48 1HD PRO 48 17.541 -11.669 -0.619 319 H ASP 49 H ASP 49 17.800 -7.259 -3.141 320 HA ASP 49 HA ASP 49 18.456 -7.526 -6.005 321 1HB ASP 49 2HB ASP 49 16.226 -8.569 -5.763 322 2HB ASP 49 1HB ASP 49 15.664 -7.164 -4.867 323 H THR 50 H THR 50 16.977 -5.687 -3.415 324 HA THR 50 HA THR 50 17.126 -3.122 -4.657 325 HB THR 50 HB THR 50 16.625 -2.358 -2.251 326 HG1 THR 50 1HG THR 50 16.204 -4.298 -0.917 327 1HG2 THR 50 1HG2 THR 50 14.746 -3.163 -3.782 328 2HG2 THR 50 2HG2 THR 50 14.482 -3.519 -2.082 329 3HG2 THR 50 3HG2 THR 50 15.007 -4.793 -3.176 330 H CYS 51 H CYS 51 18.692 -3.366 -1.524 331 HA CYS 51 HA CYS 51 20.945 -1.790 -2.495 332 1HB CYS 51 2HB CYS 51 20.627 -3.117 0.192 333 2HB CYS 51 1HB CYS 51 21.457 -1.632 -0.192 334 H SER 52 H SER 52 23.242 -2.611 -2.442 335 HA SER 52 HA SER 52 23.421 -5.370 -3.273 336 1HB SER 52 2HB SER 52 25.027 -3.611 -4.090 337 2HB SER 52 1HB SER 52 25.651 -3.449 -2.436 338 HG SER 52 HG SER 52 25.504 -5.902 -3.839 339 H GLN 53 H GLN 53 23.610 -3.700 -0.286 340 HA GLN 53 HA GLN 53 24.112 -6.238 1.168 341 1HB GLN 53 2HB GLN 53 25.558 -3.614 1.547 342 2HB GLN 53 1HB GLN 53 25.635 -4.889 2.727 343 1HG GLN 53 2HG GLN 53 26.524 -5.008 -0.169 344 2HG GLN 53 1HG GLN 53 27.583 -4.884 1.236 345 1HE2 GLN 53 1HE2 GLN 53 26.942 -7.078 -0.967 346 2HE2 GLN 53 2HE2 GLN 53 26.877 -8.501 -0.044 347 H LEU 54 H LEU 54 24.321 -3.393 2.999 348 HA LEU 54 HA LEU 54 22.109 -4.056 4.644 349 1HB LEU 54 2HB LEU 54 24.236 -3.224 5.413 350 2HB LEU 54 1HB LEU 54 24.117 -1.805 4.404 351 HG LEU 54 HG LEU 54 22.066 -2.261 6.613 352 1HD1 LEU 54 1HD1 LEU 54 24.432 -2.338 7.552 353 2HD1 LEU 54 2HD1 LEU 54 23.580 -0.874 8.028 354 3HD1 LEU 54 3HD1 LEU 54 24.779 -0.819 6.740 355 1HD2 LEU 54 1HD2 LEU 54 23.386 0.123 5.277 356 2HD2 LEU 54 2HD2 LEU 54 22.035 0.230 6.408 357 3HD2 LEU 54 3HD2 LEU 54 21.797 -0.421 4.804 358 H CYS 55 H CYS 55 20.455 -2.593 5.200 359 HA CYS 55 HA CYS 55 19.564 -0.546 3.307 360 1HB CYS 55 2HB CYS 55 19.025 -2.700 2.150 361 2HB CYS 55 1HB CYS 55 18.151 -3.221 3.513 362 H VAL 56 H VAL 56 17.231 0.085 3.887 363 HA VAL 56 HA VAL 56 16.626 -0.199 6.789 364 HB VAL 56 HB VAL 56 16.838 2.483 5.306 365 1HG1 VAL 56 1HG1 VAL 56 16.202 1.886 8.231 366 2HG1 VAL 56 2HG1 VAL 56 15.046 2.463 7.042 367 3HG1 VAL 56 3HG1 VAL 56 16.380 3.489 7.534 368 1HG2 VAL 56 1HG2 VAL 56 18.606 1.354 7.520 369 2HG2 VAL 56 2HG2 VAL 56 18.732 2.966 6.834 370 3HG2 VAL 56 3HG2 VAL 56 19.086 1.566 5.844 371 H ASN 57 H ASN 57 14.755 -1.265 6.483 372 HA ASN 57 HA ASN 57 12.849 -0.499 4.387 373 1HB ASN 57 2HB ASN 57 13.294 -2.892 4.986 374 2HB ASN 57 1HB ASN 57 12.634 -2.573 6.581 375 1HD2 ASN 57 1HD2 ASN 57 10.781 -3.844 6.515 376 2HD2 ASN 57 2HD2 ASN 57 9.528 -3.633 5.394 377 H LEU 58 H LEU 58 10.622 -0.207 4.859 378 HA LEU 58 HA LEU 58 9.486 0.640 7.371 379 1HB LEU 58 2HB LEU 58 9.423 3.032 7.113 380 2HB LEU 58 1HB LEU 58 11.086 2.579 6.933 381 HG LEU 58 HG LEU 58 10.269 2.583 4.292 382 1HD1 LEU 58 1HD1 LEU 58 9.001 4.708 3.926 383 2HD1 LEU 58 2HD1 LEU 58 8.793 4.884 5.642 384 3HD1 LEU 58 3HD1 LEU 58 7.990 3.605 4.780 385 1HD2 LEU 58 1HD2 LEU 58 12.262 3.624 5.184 386 2HD2 LEU 58 2HD2 LEU 58 11.282 4.917 5.893 387 3HD2 LEU 58 3HD2 LEU 58 11.386 4.749 4.143 388 H GLU 59 H GLU 59 7.678 2.458 6.303 389 HA GLU 59 HA GLU 59 5.959 0.596 4.881 390 1HB GLU 59 2HB GLU 59 4.974 2.251 6.559 391 2HB GLU 59 1HB GLU 59 5.518 3.576 5.549 392 1HG GLU 59 2HG GLU 59 3.930 2.885 3.738 393 2HG GLU 59 1HG GLU 59 3.467 1.475 4.640 394 H GLY 60 H GLY 60 6.970 0.050 3.262 395 1HA GLY 60 2HA GLY 60 7.385 -0.123 1.040 396 2HA GLY 60 1HA GLY 60 6.183 1.133 0.856 397 H GLY 61 H GLY 61 8.122 2.765 2.679 398 1HA GLY 61 2HA GLY 61 9.566 4.017 0.430 399 2HA GLY 61 1HA GLY 61 9.402 4.697 2.023 400 H TYR 62 H TYR 62 10.535 1.514 1.812 401 HA TYR 62 HA TYR 62 12.836 1.701 3.267 402 1HB TYR 62 2HB TYR 62 13.659 -0.346 2.240 403 2HB TYR 62 1HB TYR 62 11.907 -0.432 2.257 404 HD1 TYR 62 1HD TYR 62 14.787 -0.710 0.249 405 HD2 TYR 62 2HD TYR 62 10.713 0.499 0.032 406 HE1 TYR 62 1HE TYR 62 14.847 -0.963 -2.175 407 HE2 TYR 62 2HE TYR 62 10.772 0.246 -2.399 408 HH TYR 62 HH TYR 62 13.638 -1.012 -4.054 409 H LYS 63 H LYS 63 14.878 2.524 3.128 410 HA LYS 63 HA LYS 63 15.853 3.538 0.520 411 1HB LYS 63 2HB LYS 63 16.471 4.532 3.297 412 2HB LYS 63 1HB LYS 63 16.969 5.219 1.791 413 1HG LYS 63 2HG LYS 63 14.616 5.734 1.164 414 2HG LYS 63 1HG LYS 63 14.072 5.036 2.683 415 1HD LYS 63 2HD LYS 63 15.361 6.732 3.952 416 2HD LYS 63 1HD LYS 63 15.906 7.450 2.445 417 1HE LYS 63 2HE LYS 63 13.542 7.929 1.817 418 2HE LYS 63 1HE LYS 63 12.996 7.208 3.326 419 1HZ LYS 63 1HZ LYS 63 14.338 9.747 2.855 420 2HZ LYS 63 2HZ LYS 63 14.706 8.929 4.296 421 3HZ LYS 63 3HZ LYS 63 13.099 9.352 3.949 422 H CYS 64 H CYS 64 18.134 3.438 0.311 423 HA CYS 64 HA CYS 64 19.377 1.161 1.739 424 1HB CYS 64 2HB CYS 64 20.008 2.392 -0.915 425 2HB CYS 64 1HB CYS 64 20.899 1.121 -0.181 426 H GLN 65 H GLN 65 21.531 1.148 2.049 427 HA GLN 65 HA GLN 65 23.134 3.627 2.188 428 1HB GLN 65 2HB GLN 65 22.816 1.841 4.630 429 2HB GLN 65 1HB GLN 65 23.707 3.315 4.543 430 1HG GLN 65 2HG GLN 65 20.673 3.167 4.363 431 2HG GLN 65 1HG GLN 65 21.589 3.677 5.766 432 1HE2 GLN 65 1HE2 GLN 65 23.600 5.221 4.151 433 2HE2 GLN 65 2HE2 GLN 65 22.774 6.606 3.623 434 H CYS 66 H CYS 66 25.264 2.508 3.478 435 HA CYS 66 HA CYS 66 25.922 0.112 1.809 436 1HB CYS 66 2HB CYS 66 27.814 2.218 2.859 437 2HB CYS 66 1HB CYS 66 28.082 0.997 1.732 438 H GLU 67 H GLU 67 27.425 -1.278 2.490 439 HA GLU 67 HA GLU 67 27.174 -2.054 5.326 440 1HB GLU 67 2HB GLU 67 26.990 -3.605 3.265 441 2HB GLU 67 1HB GLU 67 28.706 -3.468 3.091 442 1HG GLU 67 2HG GLU 67 27.286 -4.600 5.540 443 2HG GLU 67 1HG GLU 67 28.128 -5.536 4.327 444 H GLU 68 H GLU 68 28.371 -0.102 5.927 445 HA GLU 68 HA GLU 68 30.271 1.068 6.606 446 1HB GLU 68 2HB GLU 68 31.339 -1.788 6.743 447 2HB GLU 68 1HB GLU 68 32.080 -0.407 7.525 448 1HG GLU 68 2HG GLU 68 29.979 -0.038 8.836 449 2HG GLU 68 1HG GLU 68 29.236 -1.413 8.034 450 H GLY 69 H GLY 69 32.117 -1.456 5.024 451 1HA GLY 69 2HA GLY 69 34.057 0.202 3.882 452 2HA GLY 69 1HA GLY 69 33.772 -1.468 3.424 453 H PHE 70 H PHE 70 30.928 -0.754 2.688 454 HA PHE 70 HA PHE 70 31.467 -0.158 -0.030 455 1HB PHE 70 2HB PHE 70 28.973 -0.651 1.571 456 2HB PHE 70 1HB PHE 70 28.855 -0.209 -0.125 457 HD1 PHE 70 1HD PHE 70 31.440 -2.500 1.360 458 HD2 PHE 70 2HD PHE 70 27.850 -2.199 -0.909 459 HE1 PHE 70 1HE PHE 70 31.616 -4.861 0.783 460 HE2 PHE 70 2HE PHE 70 28.044 -4.561 -1.502 461 HZ PHE 70 HZ PHE 70 29.921 -5.906 -0.662 462 H GLN 71 H GLN 71 30.423 1.591 -1.234 463 HA GLN 71 HA GLN 71 29.816 3.991 0.309 464 1HB GLN 71 2HB GLN 71 31.900 3.529 -1.781 465 2HB GLN 71 1HB GLN 71 31.145 5.079 -1.753 466 1HG GLN 71 2HG GLN 71 32.513 3.765 0.655 467 2HG GLN 71 1HG GLN 71 33.222 5.046 -0.327 468 1HE2 GLN 71 1HE2 GLN 71 32.752 5.479 2.429 469 2HE2 GLN 71 2HE2 GLN 71 31.508 6.619 2.615 470 H LEU 72 H LEU 72 29.161 5.706 -1.015 471 HA LEU 72 HA LEU 72 26.783 4.834 -2.505 472 1HB LEU 72 2HB LEU 72 26.715 6.754 -0.921 473 2HB LEU 72 1HB LEU 72 27.796 7.650 -1.969 474 HG LEU 72 HG LEU 72 26.085 7.326 -3.845 475 1HD1 LEU 72 1HD1 LEU 72 23.771 6.741 -3.209 476 2HD1 LEU 72 2HD1 LEU 72 24.303 6.362 -1.582 477 3HD1 LEU 72 3HD1 LEU 72 24.853 5.391 -2.936 478 1HD2 LEU 72 1HD2 LEU 72 26.224 9.450 -2.558 479 2HD2 LEU 72 2HD2 LEU 72 25.130 8.795 -1.346 480 3HD2 LEU 72 3HD2 LEU 72 24.554 9.099 -2.981 481 H ASP 73 H ASP 73 27.315 4.029 -4.423 482 HA ASP 73 HA ASP 73 29.305 5.164 -6.205 483 1HB ASP 73 2HB ASP 73 28.612 2.751 -6.336 484 2HB ASP 73 1HB ASP 73 27.022 3.249 -6.885 485 HA PRO 74 HA PRO 74 26.504 8.368 -7.669 486 1HB PRO 74 2HB PRO 74 28.052 9.493 -9.560 487 2HB PRO 74 1HB PRO 74 28.446 9.645 -7.864 488 1HG PRO 74 2HG PRO 74 29.569 7.708 -9.852 489 2HG PRO 74 1HG PRO 74 30.421 8.723 -8.674 490 1HD PRO 74 2HD PRO 74 29.885 6.114 -8.224 491 2HD PRO 74 1HD PRO 74 29.954 7.310 -6.917 492 H HIS 75 H HIS 75 25.519 9.073 -9.664 493 HA HIS 75 HA HIS 75 24.259 8.739 -11.587 494 1HB HIS 75 2HB HIS 75 26.426 6.704 -12.307 495 2HB HIS 75 1HB HIS 75 25.268 7.425 -13.413 496 HD1 HIS 75 1HD HIS 75 28.263 8.336 -11.431 497 HD2 HIS 75 2HD HIS 75 25.847 10.076 -14.224 498 HE1 HIS 75 1HE HIS 75 29.393 10.417 -12.126 499 H THR 76 H THR 76 24.555 6.565 -9.275 500 HA THR 76 HA THR 76 22.310 4.870 -10.223 501 HB THR 76 HB THR 76 23.473 2.846 -9.200 502 HG1 THR 76 1HG THR 76 25.625 3.178 -8.626 503 1HG2 THR 76 1HG2 THR 76 23.897 3.352 -11.719 504 2HG2 THR 76 2HG2 THR 76 25.249 2.548 -10.938 505 3HG2 THR 76 3HG2 THR 76 25.307 4.277 -11.230 506 H LYS 77 H LYS 77 24.336 5.952 -7.709 507 HA LYS 77 HA LYS 77 24.021 6.533 -5.467 508 1HB LYS 77 2HB LYS 77 21.186 6.280 -6.161 509 2HB LYS 77 1HB LYS 77 21.766 6.992 -4.679 510 1HG LYS 77 2HG LYS 77 23.037 8.696 -6.054 511 2HG LYS 77 1HG LYS 77 22.362 8.000 -7.512 512 1HD LYS 77 2HD LYS 77 21.101 10.003 -6.897 513 2HD LYS 77 1HD LYS 77 20.070 8.595 -6.758 514 1HE LYS 77 2HE LYS 77 20.433 8.573 -4.279 515 2HE LYS 77 1HE LYS 77 21.489 9.973 -4.429 516 1HZ LYS 77 1HZ LYS 77 19.280 10.615 -3.793 517 2HZ LYS 77 2HZ LYS 77 18.621 9.855 -5.161 518 3HZ LYS 77 3HZ LYS 77 19.629 11.210 -5.345 519 H ALA 78 H ALA 78 23.916 3.716 -6.653 520 HA ALA 78 HA ALA 78 22.646 2.168 -4.463 521 1HB ALA 78 1HB ALA 78 23.140 0.221 -5.928 522 2HB ALA 78 2HB ALA 78 23.993 1.274 -7.048 523 3HB ALA 78 3HB ALA 78 22.260 1.456 -6.816 524 H CYS 79 H CYS 79 23.831 1.131 -2.957 525 HA CYS 79 HA CYS 79 26.649 1.812 -2.740 526 1HB CYS 79 2HB CYS 79 24.826 0.250 -0.959 527 2HB CYS 79 1HB CYS 79 26.515 0.449 -0.608 528 H LYS 80 H LYS 80 28.359 0.598 -2.616 529 HA LYS 80 HA LYS 80 28.320 -2.306 -2.860 530 1HB LYS 80 2HB LYS 80 29.674 -2.433 -4.693 531 2HB LYS 80 1HB LYS 80 28.112 -1.783 -5.218 532 1HG LYS 80 2HG LYS 80 29.179 0.563 -5.097 533 2HG LYS 80 1HG LYS 80 30.734 -0.212 -4.845 534 1HD LYS 80 2HD LYS 80 30.481 -1.405 -7.026 535 2HD LYS 80 1HD LYS 80 28.969 -0.548 -7.296 536 1HE LYS 80 2HE LYS 80 30.214 1.626 -7.068 537 2HE LYS 80 1HE LYS 80 31.707 0.724 -6.916 538 1HZ LYS 80 1HZ LYS 80 29.948 0.299 -9.229 539 2HZ LYS 80 2HZ LYS 80 31.614 0.003 -9.076 540 3HZ LYS 80 3HZ LYS 80 31.038 1.599 -9.191 541 H ALA 81 H ALA 81 30.715 -3.081 -2.817 542 HA ALA 81 HA ALA 81 32.273 -1.922 -0.803 543 1HB ALA 81 1HB ALA 81 33.256 -3.524 -3.188 544 2HB ALA 81 2HB ALA 81 32.649 -4.197 -1.685 545 3HB ALA 81 3HB ALA 81 34.147 -3.281 -1.693 546 H VAL 82 H VAL 82 33.439 -0.097 -0.621 547 HA VAL 82 HA VAL 82 33.650 1.882 -2.527 548 HB VAL 82 HB VAL 82 34.108 2.206 -0.116 549 1HG1 VAL 82 1HG1 VAL 82 36.303 1.544 0.858 550 2HG1 VAL 82 2HG1 VAL 82 36.765 0.783 -0.653 551 3HG1 VAL 82 3HG1 VAL 82 35.452 0.120 0.292 552 1HG2 VAL 82 1HG2 VAL 82 36.450 3.070 -1.856 553 2HG2 VAL 82 2HG2 VAL 82 36.022 3.762 -0.302 554 3HG2 VAL 82 3HG2 VAL 82 34.930 3.927 -1.666 Start of MODEL 13 1 H GLY 1 H GLY 1 -24.752 -6.635 3.226 2 1HA GLY 1 2HA GLY 1 -27.692 -6.816 3.728 3 2HA GLY 1 1HA GLY 1 -26.521 -6.980 5.038 4 H THR 2 H THR 2 -26.208 -5.180 6.175 5 HA THR 2 HA THR 2 -27.328 -2.694 5.576 6 HB THR 2 HB THR 2 -26.889 -3.342 7.869 7 HG1 THR 2 1HG THR 2 -26.030 -1.401 8.499 8 1HG2 THR 2 1HG2 THR 2 -23.944 -2.887 7.133 9 2HG2 THR 2 2HG2 THR 2 -24.626 -4.482 7.431 10 3HG2 THR 2 3HG2 THR 2 -24.549 -3.300 8.733 11 H ASN 3 H ASN 3 -26.230 -0.683 5.541 12 HA ASN 3 HA ASN 3 -23.999 -0.612 3.571 13 1HB ASN 3 2HB ASN 3 -26.205 0.500 3.067 14 2HB ASN 3 1HB ASN 3 -25.968 1.546 4.452 15 1HD2 ASN 3 1HD2 ASN 3 -26.232 3.015 2.287 16 2HD2 ASN 3 2HD2 ASN 3 -24.755 3.553 1.646 17 H GLU 4 H GLU 4 -22.710 -1.265 5.459 18 HA GLU 4 HA GLU 4 -22.252 0.476 7.681 19 1HB GLU 4 2HB GLU 4 -20.160 -1.012 7.903 20 2HB GLU 4 1HB GLU 4 -21.715 -1.794 8.007 21 1HG GLU 4 2HG GLU 4 -20.027 -3.021 6.589 22 2HG GLU 4 1HG GLU 4 -21.527 -2.692 5.756 23 H CYS 5 H CYS 5 -21.478 0.984 4.517 24 HA CYS 5 HA CYS 5 -18.862 2.024 4.653 25 1HB CYS 5 2HB CYS 5 -21.148 2.669 2.804 26 2HB CYS 5 1HB CYS 5 -19.528 3.204 2.556 27 H LEU 6 H LEU 6 -22.032 3.262 5.066 28 HA LEU 6 HA LEU 6 -21.830 5.998 5.101 29 1HB LEU 6 2HB LEU 6 -23.445 4.259 6.993 30 2HB LEU 6 1HB LEU 6 -23.778 5.931 6.610 31 HG LEU 6 HG LEU 6 -23.812 3.635 4.587 32 1HD1 LEU 6 1HD1 LEU 6 -26.258 4.014 4.592 33 2HD1 LEU 6 2HD1 LEU 6 -26.070 5.237 5.841 34 3HD1 LEU 6 3HD1 LEU 6 -25.680 3.558 6.189 35 1HD2 LEU 6 1HD2 LEU 6 -23.207 5.852 3.535 36 2HD2 LEU 6 2HD2 LEU 6 -24.637 6.568 4.255 37 3HD2 LEU 6 3HD2 LEU 6 -24.797 5.321 3.033 38 H ASP 7 H ASP 7 -21.286 3.801 7.787 39 HA ASP 7 HA ASP 7 -20.074 5.957 9.467 40 1HB ASP 7 2HB ASP 7 -21.863 4.322 10.395 41 2HB ASP 7 1HB ASP 7 -20.684 3.051 10.113 42 H ASN 8 H ASN 8 -18.331 4.299 10.834 43 HA ASN 8 HA ASN 8 -15.969 4.386 9.407 44 1HB ASN 8 2HB ASN 8 -16.798 2.541 11.518 45 2HB ASN 8 1HB ASN 8 -15.117 2.814 11.120 46 1HD2 ASN 8 1HD2 ASN 8 -14.360 5.146 11.353 47 2HD2 ASN 8 2HD2 ASN 8 -15.058 6.103 12.571 48 H ASN 9 H ASN 9 -15.441 3.309 7.586 49 HA ASN 9 HA ASN 9 -16.782 1.522 6.064 50 1HB ASN 9 2HB ASN 9 -14.714 2.562 5.344 51 2HB ASN 9 1HB ASN 9 -13.792 1.666 6.526 52 1HD2 ASN 9 1HD2 ASN 9 -12.617 1.212 4.354 53 2HD2 ASN 9 2HD2 ASN 9 -13.092 -0.197 3.535 54 H GLY 10 H GLY 10 -17.937 0.064 7.408 55 1HA GLY 10 2HA GLY 10 -18.374 -2.010 8.369 56 2HA GLY 10 1HA GLY 10 -17.023 -2.566 7.399 57 H GLY 11 H GLY 11 -16.117 -0.118 9.449 58 1HA GLY 11 2HA GLY 11 -15.725 -0.529 11.964 59 2HA GLY 11 1HA GLY 11 -14.829 -1.948 11.417 60 H CYS 12 H CYS 12 -13.752 -0.691 9.052 61 HA CYS 12 HA CYS 12 -11.549 0.842 10.266 62 1HB CYS 12 2HB CYS 12 -10.410 0.330 8.243 63 2HB CYS 12 1HB CYS 12 -11.259 -1.131 8.681 64 H SER 13 H SER 13 -11.108 2.036 7.521 65 HA SER 13 HA SER 13 -13.307 3.791 6.936 66 1HB SER 13 2HB SER 13 -12.146 5.925 7.741 67 2HB SER 13 1HB SER 13 -12.496 4.843 9.094 68 HG SER 13 HG SER 13 -10.407 4.012 8.915 69 H HIS 14 H HIS 14 -11.732 2.055 5.454 70 HA HIS 14 HA HIS 14 -10.154 3.823 3.669 71 1HB HIS 14 2HB HIS 14 -10.170 0.814 4.125 72 2HB HIS 14 1HB HIS 14 -9.126 1.638 2.991 73 HD1 HIS 14 1HD HIS 14 -9.121 3.817 5.662 74 HD2 HIS 14 2HD HIS 14 -7.418 0.144 5.183 75 HE1 HIS 14 1HE HIS 14 -7.319 3.664 7.347 76 H VAL 15 H VAL 15 -10.801 1.039 2.131 77 HA VAL 15 HA VAL 15 -13.108 2.164 0.630 78 HB VAL 15 HB VAL 15 -11.007 1.802 -0.542 79 1HG1 VAL 15 1HG1 VAL 15 -11.225 -1.149 0.123 80 2HG1 VAL 15 2HG1 VAL 15 -10.008 -0.027 0.698 81 3HG1 VAL 15 3HG1 VAL 15 -10.097 -0.433 -1.004 82 1HG2 VAL 15 1HG2 VAL 15 -13.127 1.514 -1.833 83 2HG2 VAL 15 2HG2 VAL 15 -13.182 -0.187 -1.396 84 3HG2 VAL 15 3HG2 VAL 15 -11.912 0.408 -2.452 85 H CYS 16 H CYS 16 -15.029 1.352 1.146 86 HA CYS 16 HA CYS 16 -15.301 -1.195 2.526 87 1HB CYS 16 2HB CYS 16 -17.588 -0.490 2.796 88 2HB CYS 16 1HB CYS 16 -16.584 0.888 3.051 89 H ASN 17 H ASN 17 -14.967 -2.976 1.334 90 HA ASN 17 HA ASN 17 -16.116 -3.197 -1.394 91 1HB ASN 17 2HB ASN 17 -13.878 -3.622 -1.280 92 2HB ASN 17 1HB ASN 17 -13.891 -4.376 0.285 93 1HD2 ASN 17 1HD2 ASN 17 -12.690 -6.090 -0.441 94 2HD2 ASN 17 2HD2 ASN 17 -13.249 -7.312 -1.453 95 H ASP 18 H ASP 18 -18.031 -2.989 -0.356 96 HA ASP 18 HA ASP 18 -19.189 -4.570 1.617 97 1HB ASP 18 2HB ASP 18 -19.985 -2.355 0.539 98 2HB ASP 18 1HB ASP 18 -20.690 -3.343 -0.724 99 H LEU 19 H LEU 19 -18.718 -6.555 1.469 100 HA LEU 19 HA LEU 19 -19.248 -8.396 -0.591 101 1HB LEU 19 2HB LEU 19 -17.668 -8.411 1.523 102 2HB LEU 19 1HB LEU 19 -19.097 -8.867 2.389 103 HG LEU 19 HG LEU 19 -19.375 -10.925 1.085 104 1HD1 LEU 19 1HD1 LEU 19 -16.742 -10.024 -0.145 105 2HD1 LEU 19 2HD1 LEU 19 -18.265 -10.073 -1.010 106 3HD1 LEU 19 3HD1 LEU 19 -17.532 -11.566 -0.459 107 1HD2 LEU 19 1HD2 LEU 19 -16.617 -10.516 2.300 108 2HD2 LEU 19 2HD2 LEU 19 -17.421 -12.066 2.084 109 3HD2 LEU 19 3HD2 LEU 19 -18.091 -10.876 3.177 110 H LYS 20 H LYS 20 -20.706 -10.352 -0.042 111 HA LYS 20 HA LYS 20 -23.438 -9.401 0.170 112 1HB LYS 20 2HB LYS 20 -23.988 -11.823 -0.159 113 2HB LYS 20 1HB LYS 20 -22.789 -11.290 -1.320 114 1HG LYS 20 2HG LYS 20 -20.977 -12.282 0.139 115 2HG LYS 20 1HG LYS 20 -22.226 -12.889 1.217 116 1HD LYS 20 2HD LYS 20 -23.196 -14.250 -0.577 117 2HD LYS 20 1HD LYS 20 -21.999 -13.644 -1.712 118 1HE LYS 20 2HE LYS 20 -20.178 -14.592 -0.286 119 2HE LYS 20 1HE LYS 20 -21.380 -15.214 0.835 120 1HZ LYS 20 1HZ LYS 20 -22.330 -16.435 -1.120 121 2HZ LYS 20 2HZ LYS 20 -20.813 -16.966 -0.570 122 3HZ LYS 20 3HZ LYS 20 -20.923 -16.010 -1.970 123 H ILE 21 H ILE 21 -21.240 -11.362 2.125 124 HA ILE 21 HA ILE 21 -22.516 -10.553 4.633 125 HB ILE 21 HB ILE 21 -22.067 -13.431 3.709 126 1HG1 ILE 21 2HG1 ILE 21 -24.680 -11.993 4.390 127 2HG1 ILE 21 1HG1 ILE 21 -24.163 -12.449 2.779 128 1HG2 ILE 21 1HG2 ILE 21 -21.485 -13.122 6.088 129 2HG2 ILE 21 2HG2 ILE 21 -22.951 -14.067 5.963 130 3HG2 ILE 21 3HG2 ILE 21 -23.041 -12.359 6.384 131 1HD1 ILE 21 1HD1 ILE 21 -24.227 -14.832 3.378 132 2HD1 ILE 21 2HD1 ILE 21 -25.788 -14.065 3.622 133 3HD1 ILE 21 3HD1 ILE 21 -24.770 -14.429 4.999 134 H GLY 22 H GLY 22 -20.746 -9.689 5.657 135 1HA GLY 22 2HA GLY 22 -18.742 -9.913 6.885 136 2HA GLY 22 1HA GLY 22 -18.292 -11.215 5.819 137 H TYR 23 H TYR 23 -19.308 -7.973 5.219 138 HA TYR 23 HA TYR 23 -18.011 -7.061 3.046 139 1HB TYR 23 2HB TYR 23 -17.950 -5.335 5.495 140 2HB TYR 23 1HB TYR 23 -18.152 -4.857 3.830 141 HD1 TYR 23 1HD TYR 23 -20.324 -5.979 2.592 142 HD2 TYR 23 2HD TYR 23 -19.824 -5.486 6.777 143 HE1 TYR 23 1HE TYR 23 -22.752 -6.101 2.891 144 HE2 TYR 23 2HE TYR 23 -22.257 -5.612 7.087 145 HH TYR 23 HH TYR 23 -24.393 -5.093 4.900 146 H GLU 24 H GLU 24 -16.162 -5.929 2.469 147 HA GLU 24 HA GLU 24 -13.749 -6.586 4.046 148 1HB GLU 24 2HB GLU 24 -14.216 -6.107 1.139 149 2HB GLU 24 1HB GLU 24 -12.654 -6.478 1.830 150 1HG GLU 24 2HG GLU 24 -13.707 -8.578 2.731 151 2HG GLU 24 1HG GLU 24 -15.193 -8.115 1.890 152 H CYS 25 H CYS 25 -11.945 -5.274 3.694 153 HA CYS 25 HA CYS 25 -12.308 -2.460 3.217 154 1HB CYS 25 2HB CYS 25 -12.685 -2.723 5.682 155 2HB CYS 25 1HB CYS 25 -11.170 -3.584 5.833 156 H LEU 26 H LEU 26 -10.940 -2.772 1.387 157 HA LEU 26 HA LEU 26 -8.350 -4.062 1.730 158 1HB LEU 26 2HB LEU 26 -9.150 -2.312 -0.615 159 2HB LEU 26 1HB LEU 26 -7.989 -3.588 -0.547 160 HG LEU 26 HG LEU 26 -9.662 -4.441 -1.849 161 1HD1 LEU 26 1HD1 LEU 26 -10.701 -6.329 -0.678 162 2HD1 LEU 26 2HD1 LEU 26 -10.227 -5.642 0.862 163 3HD1 LEU 26 3HD1 LEU 26 -9.000 -6.164 -0.288 164 1HD2 LEU 26 1HD2 LEU 26 -11.781 -3.489 0.076 165 2HD2 LEU 26 2HD2 LEU 26 -12.008 -4.461 -1.368 166 3HD2 LEU 26 3HD2 LEU 26 -11.392 -2.830 -1.504 167 H CYS 27 H CYS 27 -6.752 -2.408 0.282 168 HA CYS 27 HA CYS 27 -5.991 -0.420 2.206 169 1HB CYS 27 2HB CYS 27 -4.897 -1.152 -0.493 170 2HB CYS 27 1HB CYS 27 -4.177 0.037 0.538 171 HA PRO 28 HA PRO 28 -7.840 3.064 0.119 172 1HB PRO 28 2HB PRO 28 -6.546 5.049 1.516 173 2HB PRO 28 1HB PRO 28 -7.828 4.099 2.197 174 1HG PRO 28 2HG PRO 28 -4.935 3.924 2.710 175 2HG PRO 28 1HG PRO 28 -6.295 3.580 3.780 176 1HD PRO 28 2HD PRO 28 -4.753 1.680 2.420 177 2HD PRO 28 1HD PRO 28 -6.314 1.404 3.209 178 H ASP 29 H ASP 29 -4.536 3.142 0.992 179 HA ASP 29 HA ASP 29 -3.517 4.651 -1.270 180 1HB ASP 29 2HB ASP 29 -1.327 4.234 -0.093 181 2HB ASP 29 1HB ASP 29 -2.535 4.916 0.969 182 H GLY 30 H GLY 30 -1.198 3.476 -1.937 183 1HA GLY 30 2HA GLY 30 -2.014 1.392 -3.692 184 2HA GLY 30 1HA GLY 30 -0.455 2.156 -3.670 185 H PHE 31 H PHE 31 -0.281 1.312 -0.632 186 HA PHE 31 HA PHE 31 1.273 -1.043 -1.094 187 1HB PHE 31 2HB PHE 31 0.160 0.034 1.541 188 2HB PHE 31 1HB PHE 31 1.537 -1.033 1.253 189 HD1 PHE 31 1HD PHE 31 3.176 -0.208 -0.639 190 HD2 PHE 31 2HD PHE 31 0.780 2.331 1.791 191 HE1 PHE 31 1HE PHE 31 4.665 1.670 -1.173 192 HE2 PHE 31 2HE PHE 31 2.267 4.223 1.254 193 HZ PHE 31 HZ PHE 31 4.223 3.883 -0.226 194 H GLN 32 H GLN 32 0.758 -2.830 0.883 195 HA GLN 32 HA GLN 32 -1.758 -4.105 -0.134 196 1HB GLN 32 2HB GLN 32 0.315 -5.305 -0.672 197 2HB GLN 32 1HB GLN 32 0.746 -5.362 1.025 198 1HG GLN 32 2HG GLN 32 -0.223 -7.524 0.282 199 2HG GLN 32 1HG GLN 32 -1.250 -6.791 1.496 200 1HE2 GLN 32 1HE2 GLN 32 -3.426 -6.720 0.933 201 2HE2 GLN 32 2HE2 GLN 32 -4.030 -6.777 -0.653 202 H LEU 33 H LEU 33 -3.150 -5.097 1.192 203 HA LEU 33 HA LEU 33 -3.460 -4.005 3.863 204 1HB LEU 33 2HB LEU 33 -5.333 -4.804 2.206 205 2HB LEU 33 1HB LEU 33 -4.900 -6.434 2.664 206 HG LEU 33 HG LEU 33 -5.350 -5.772 5.093 207 1HD1 LEU 33 1HD1 LEU 33 -6.553 -3.311 3.750 208 2HD1 LEU 33 2HD1 LEU 33 -5.156 -3.293 4.805 209 3HD1 LEU 33 3HD1 LEU 33 -6.731 -3.717 5.443 210 1HD2 LEU 33 1HD2 LEU 33 -7.024 -7.042 3.771 211 2HD2 LEU 33 2HD2 LEU 33 -7.686 -5.539 3.148 212 3HD2 LEU 33 3HD2 LEU 33 -7.820 -5.912 4.854 213 H VAL 34 H VAL 34 -1.883 -4.661 5.271 214 HA VAL 34 HA VAL 34 -0.613 -7.282 5.050 215 HB VAL 34 HB VAL 34 -0.288 -5.108 7.172 216 1HG1 VAL 34 1HG1 VAL 34 0.529 -7.339 7.950 217 2HG1 VAL 34 2HG1 VAL 34 1.867 -6.243 7.672 218 3HG1 VAL 34 3HG1 VAL 34 1.495 -7.491 6.493 219 1HG2 VAL 34 1HG2 VAL 34 1.747 -4.485 5.899 220 2HG2 VAL 34 2HG2 VAL 34 0.317 -4.302 4.906 221 3HG2 VAL 34 3HG2 VAL 34 1.372 -5.688 4.679 222 H ALA 35 H ALA 35 -1.889 -5.853 8.023 223 HA ALA 35 HA ALA 35 -2.548 -8.436 9.037 224 1HB ALA 35 1HB ALA 35 -1.608 -6.694 10.501 225 2HB ALA 35 2HB ALA 35 -3.203 -7.125 11.098 226 3HB ALA 35 3HB ALA 35 -2.982 -5.647 10.176 227 H GLN 36 H GLN 36 -4.027 -7.881 6.790 228 HA GLN 36 HA GLN 36 -6.167 -7.940 5.870 229 1HB GLN 36 2HB GLN 36 -6.950 -8.980 8.623 230 2HB GLN 36 1HB GLN 36 -7.887 -9.135 7.162 231 1HG GLN 36 2HG GLN 36 -6.069 -10.488 6.083 232 2HG GLN 36 1HG GLN 36 -5.090 -10.341 7.535 233 1HE2 GLN 36 1HE2 GLN 36 -7.903 -11.934 6.138 234 2HE2 GLN 36 2HE2 GLN 36 -8.140 -13.029 7.411 235 H ARG 37 H ARG 37 -5.378 -5.607 7.842 236 HA ARG 37 HA ARG 37 -7.935 -4.240 7.474 237 1HB ARG 37 2HB ARG 37 -7.824 -5.647 9.805 238 2HB ARG 37 1HB ARG 37 -6.837 -4.304 10.319 239 1HG ARG 37 2HG ARG 37 -9.085 -3.778 10.963 240 2HG ARG 37 1HG ARG 37 -8.717 -2.750 9.585 241 1HD ARG 37 2HD ARG 37 -9.836 -4.480 8.056 242 2HD ARG 37 1HD ARG 37 -10.203 -5.421 9.486 243 HE ARG 37 HE ARG 37 -11.146 -2.678 9.734 244 1HH1 ARG 37 2HH1 ARG 37 -11.862 -5.783 8.382 245 2HH1 ARG 37 1HH1 ARG 37 -13.571 -5.500 8.341 246 1HH2 ARG 37 1HH2 ARG 37 -13.297 -2.288 9.691 247 2HH2 ARG 37 2HH2 ARG 37 -14.398 -3.484 9.095 248 H ARG 38 H ARG 38 -4.773 -4.289 8.943 249 HA ARG 38 HA ARG 38 -4.382 -1.380 8.569 250 1HB ARG 38 2HB ARG 38 -3.561 -2.496 10.660 251 2HB ARG 38 1HB ARG 38 -2.518 -3.526 9.693 252 1HG ARG 38 2HG ARG 38 -1.344 -1.489 8.819 253 2HG ARG 38 1HG ARG 38 -2.353 -0.484 9.840 254 1HD ARG 38 2HD ARG 38 -1.461 -1.600 11.874 255 2HD ARG 38 1HD ARG 38 -0.466 -2.657 10.878 256 HE ARG 38 HE ARG 38 0.114 0.092 11.560 257 1HH1 ARG 38 2HH1 ARG 38 0.459 -2.319 9.100 258 2HH1 ARG 38 1HH1 ARG 38 1.881 -1.600 8.426 259 1HH2 ARG 38 1HH2 ARG 38 1.921 1.022 10.731 260 2HH2 ARG 38 2HH2 ARG 38 2.727 0.322 9.368 261 H CYS 39 H CYS 39 -3.783 -0.740 6.607 262 HA CYS 39 HA CYS 39 -2.334 -2.597 4.794 263 1HB CYS 39 2HB CYS 39 -4.277 -1.401 3.892 264 2HB CYS 39 1HB CYS 39 -3.505 0.128 4.232 265 H GLU 40 H GLU 40 -0.390 -2.430 4.187 266 HA GLU 40 HA GLU 40 1.155 0.019 4.265 267 1HB GLU 40 2HB GLU 40 1.165 -0.776 6.668 268 2HB GLU 40 1HB GLU 40 1.895 -2.284 6.140 269 1HG GLU 40 2HG GLU 40 3.835 -1.049 5.243 270 2HG GLU 40 1HG GLU 40 3.019 0.462 5.608 271 H ASP 41 H ASP 41 3.438 -0.460 3.591 272 HA ASP 41 HA ASP 41 3.404 -2.221 1.258 273 1HB ASP 41 2HB ASP 41 4.492 0.168 1.431 274 2HB ASP 41 1HB ASP 41 5.732 -0.624 2.334 275 H ILE 42 H ILE 42 5.017 -3.812 0.832 276 HA ILE 42 HA ILE 42 5.506 -5.579 2.988 277 HB ILE 42 HB ILE 42 5.280 -6.348 0.598 278 1HG1 ILE 42 2HG1 ILE 42 8.032 -7.039 1.756 279 2HG1 ILE 42 1HG1 ILE 42 6.529 -7.788 2.254 280 1HG2 ILE 42 1HG2 ILE 42 8.002 -5.019 0.194 281 2HG2 ILE 42 2HG2 ILE 42 6.486 -4.442 -0.478 282 3HG2 ILE 42 3HG2 ILE 42 7.154 -5.964 -1.013 283 1HD1 ILE 42 1HD1 ILE 42 7.741 -9.201 0.638 284 2HD1 ILE 42 2HD1 ILE 42 7.742 -7.913 -0.548 285 3HD1 ILE 42 3HD1 ILE 42 6.226 -8.660 -0.067 286 H ASP 43 H ASP 43 7.872 -6.246 3.641 287 HA ASP 43 HA ASP 43 9.505 -3.750 3.895 288 1HB ASP 43 2HB ASP 43 8.608 -4.957 5.935 289 2HB ASP 43 1HB ASP 43 9.670 -6.291 5.537 290 H GLU 44 H GLU 44 11.170 -3.559 2.664 291 HA GLU 44 HA GLU 44 12.391 -5.783 1.235 292 1HB GLU 44 2HB GLU 44 13.243 -2.882 1.308 293 2HB GLU 44 1HB GLU 44 13.660 -4.078 0.106 294 1HG GLU 44 2HG GLU 44 12.032 -2.597 -0.741 295 2HG GLU 44 1HG GLU 44 11.286 -4.180 -0.637 296 H CYS 45 H CYS 45 13.034 -3.863 4.059 297 HA CYS 45 HA CYS 45 15.828 -4.202 4.156 298 1HB CYS 45 2HB CYS 45 13.821 -3.620 6.350 299 2HB CYS 45 1HB CYS 45 15.524 -3.597 6.568 300 H GLN 46 H GLN 46 13.462 -5.500 6.280 301 HA GLN 46 HA GLN 46 14.770 -7.418 7.705 302 1HB GLN 46 2HB GLN 46 11.978 -7.598 6.520 303 2HB GLN 46 1HB GLN 46 12.568 -8.604 7.827 304 1HG GLN 46 2HG GLN 46 12.945 -6.620 9.245 305 2HG GLN 46 1HG GLN 46 12.421 -5.559 7.953 306 1HE2 GLN 46 1HE2 GLN 46 11.279 -6.508 10.763 307 2HE2 GLN 46 2HE2 GLN 46 9.639 -6.772 10.410 308 H ASP 47 H ASP 47 13.218 -7.978 4.599 309 HA ASP 47 HA ASP 47 14.256 -10.621 4.342 310 1HB ASP 47 2HB ASP 47 12.081 -10.053 3.331 311 2HB ASP 47 1HB ASP 47 12.842 -8.831 2.326 312 HA PRO 48 HA PRO 48 18.198 -9.238 2.681 313 1HB PRO 48 2HB PRO 48 18.267 -11.841 1.188 314 2HB PRO 48 1HB PRO 48 19.398 -11.209 2.358 315 1HG PRO 48 2HG PRO 48 17.729 -13.201 2.975 316 2HG PRO 48 1HG PRO 48 18.209 -11.979 4.165 317 1HD PRO 48 2HD PRO 48 15.636 -12.254 2.664 318 2HD PRO 48 1HD PRO 48 15.952 -11.739 4.334 319 H ASP 49 H ASP 49 17.399 -7.603 1.392 320 HA ASP 49 HA ASP 49 17.265 -8.194 -1.495 321 1HB ASP 49 2HB ASP 49 14.934 -8.240 -0.717 322 2HB ASP 49 1HB ASP 49 15.163 -6.700 0.086 323 H THR 50 H THR 50 17.287 -5.662 0.974 324 HA THR 50 HA THR 50 18.206 -3.622 -0.848 325 HB THR 50 HB THR 50 18.371 -2.296 1.353 326 HG1 THR 50 1HG THR 50 17.446 -3.540 3.115 327 1HG2 THR 50 1HG2 THR 50 15.805 -3.928 1.003 328 2HG2 THR 50 2HG2 THR 50 16.170 -2.477 0.086 329 3HG2 THR 50 3HG2 THR 50 15.932 -2.382 1.821 330 H CYS 51 H CYS 51 20.007 -3.729 2.138 331 HA CYS 51 HA CYS 51 22.476 -4.253 0.562 332 1HB CYS 51 2HB CYS 51 21.855 -2.389 2.822 333 2HB CYS 51 1HB CYS 51 23.470 -2.715 2.277 334 H SER 52 H SER 52 24.399 -4.595 2.142 335 HA SER 52 HA SER 52 24.345 -7.205 3.035 336 1HB SER 52 2HB SER 52 26.181 -4.902 3.784 337 2HB SER 52 1HB SER 52 26.561 -6.608 4.071 338 HG SER 52 HG SER 52 26.417 -6.992 1.905 339 H GLN 53 H GLN 53 24.076 -4.364 5.116 340 HA GLN 53 HA GLN 53 23.126 -6.185 7.303 341 1HB GLN 53 2HB GLN 53 24.878 -3.719 7.546 342 2HB GLN 53 1HB GLN 53 24.222 -4.605 8.913 343 1HG GLN 53 2HG GLN 53 26.025 -5.787 6.795 344 2HG GLN 53 1HG GLN 53 26.564 -5.248 8.377 345 1HE2 GLN 53 1HE2 GLN 53 25.778 -8.006 6.726 346 2HE2 GLN 53 2HE2 GLN 53 25.227 -8.971 8.008 347 H LEU 54 H LEU 54 23.195 -2.917 8.237 348 HA LEU 54 HA LEU 54 20.428 -2.915 8.686 349 1HB LEU 54 2HB LEU 54 22.346 -0.587 8.541 350 2HB LEU 54 1HB LEU 54 20.716 -0.514 9.175 351 HG LEU 54 HG LEU 54 23.051 -2.015 10.358 352 1HD1 LEU 54 1HD1 LEU 54 22.819 0.443 10.723 353 2HD1 LEU 54 2HD1 LEU 54 22.515 -0.447 12.214 354 3HD1 LEU 54 3HD1 LEU 54 21.174 0.193 11.268 355 1HD2 LEU 54 1HD2 LEU 54 20.948 -3.393 10.570 356 2HD2 LEU 54 2HD2 LEU 54 20.126 -1.988 11.237 357 3HD2 LEU 54 3HD2 LEU 54 21.459 -2.733 12.111 358 H CYS 55 H CYS 55 19.055 -1.451 8.277 359 HA CYS 55 HA CYS 55 18.818 -0.016 5.745 360 1HB CYS 55 2HB CYS 55 18.501 -2.381 5.040 361 2HB CYS 55 1HB CYS 55 17.291 -2.603 6.237 362 H VAL 56 H VAL 56 16.230 0.477 5.594 363 HA VAL 56 HA VAL 56 14.919 0.800 8.170 364 HB VAL 56 HB VAL 56 16.557 2.652 8.308 365 1HG1 VAL 56 1HG1 VAL 56 16.609 4.518 6.704 366 2HG1 VAL 56 2HG1 VAL 56 15.445 3.722 5.676 367 3HG1 VAL 56 3HG1 VAL 56 17.036 3.020 5.906 368 1HG2 VAL 56 1HG2 VAL 56 14.982 4.559 8.580 369 2HG2 VAL 56 2HG2 VAL 56 14.320 3.071 9.232 370 3HG2 VAL 56 3HG2 VAL 56 13.757 3.678 7.684 371 H ASN 57 H ASN 57 13.224 -0.125 7.415 372 HA ASN 57 HA ASN 57 11.995 0.500 4.841 373 1HB ASN 57 2HB ASN 57 12.090 -1.841 5.683 374 2HB ASN 57 1HB ASN 57 11.082 -1.352 7.041 375 1HD2 ASN 57 1HD2 ASN 57 9.090 -2.323 6.655 376 2HD2 ASN 57 2HD2 ASN 57 8.224 -2.186 5.200 377 H LEU 58 H LEU 58 9.936 0.924 4.550 378 HA LEU 58 HA LEU 58 7.819 1.744 6.148 379 1HB LEU 58 2HB LEU 58 7.837 4.206 6.026 380 2HB LEU 58 1HB LEU 58 9.255 3.705 6.884 381 HG LEU 58 HG LEU 58 9.314 4.378 3.921 382 1HD1 LEU 58 1HD1 LEU 58 10.047 6.123 6.352 383 2HD1 LEU 58 2HD1 LEU 58 8.649 6.396 5.324 384 3HD1 LEU 58 3HD1 LEU 58 10.266 6.583 4.671 385 1HD2 LEU 58 1HD2 LEU 58 11.454 4.154 6.030 386 2HD2 LEU 58 2HD2 LEU 58 11.706 4.643 4.362 387 3HD2 LEU 58 3HD2 LEU 58 11.161 3.021 4.716 388 H GLU 59 H GLU 59 6.825 3.742 4.581 389 HA GLU 59 HA GLU 59 6.245 2.286 2.112 390 1HB GLU 59 2HB GLU 59 4.977 4.557 3.625 391 2HB GLU 59 1HB GLU 59 4.471 4.282 1.991 392 1HG GLU 59 2HG GLU 59 3.016 2.996 3.622 393 2HG GLU 59 1HG GLU 59 3.900 1.890 2.608 394 H GLY 60 H GLY 60 7.348 2.389 0.521 395 1HA GLY 60 2HA GLY 60 8.353 3.081 -1.391 396 2HA GLY 60 1HA GLY 60 7.547 4.614 -1.136 397 H GLY 61 H GLY 61 8.910 4.739 1.539 398 1HA GLY 61 2HA GLY 61 11.339 6.136 0.677 399 2HA GLY 61 1HA GLY 61 10.635 6.135 2.293 400 H TYR 62 H TYR 62 10.635 3.085 1.681 401 HA TYR 62 HA TYR 62 12.564 2.210 3.466 402 1HB TYR 62 2HB TYR 62 12.379 0.006 2.527 403 2HB TYR 62 1HB TYR 62 10.831 0.757 2.165 404 HD1 TYR 62 1HD TYR 62 13.824 -0.666 0.826 405 HD2 TYR 62 2HD TYR 62 10.492 1.775 -0.217 406 HE1 TYR 62 1HE TYR 62 14.331 -1.020 -1.524 407 HE2 TYR 62 2HE TYR 62 11.001 1.421 -2.586 408 HH TYR 62 HH TYR 62 12.808 -0.949 -3.759 409 H LYS 63 H LYS 63 14.798 2.144 3.525 410 HA LYS 63 HA LYS 63 16.282 1.981 1.046 411 1HB LYS 63 2HB LYS 63 17.538 3.959 1.715 412 2HB LYS 63 1HB LYS 63 15.961 4.355 1.075 413 1HG LYS 63 2HG LYS 63 15.242 4.515 3.572 414 2HG LYS 63 1HG LYS 63 16.933 4.293 3.987 415 1HD LYS 63 2HD LYS 63 15.819 6.586 2.324 416 2HD LYS 63 1HD LYS 63 16.293 6.687 4.008 417 1HE LYS 63 2HE LYS 63 18.643 6.091 3.382 418 2HE LYS 63 1HE LYS 63 18.169 6.027 1.689 419 1HZ LYS 63 1HZ LYS 63 19.180 8.144 2.443 420 2HZ LYS 63 2HZ LYS 63 17.779 8.425 3.360 421 3HZ LYS 63 3HZ LYS 63 17.674 8.294 1.671 422 H CYS 64 H CYS 64 18.575 2.018 1.446 423 HA CYS 64 HA CYS 64 19.237 0.158 3.579 424 1HB CYS 64 2HB CYS 64 20.929 1.538 1.521 425 2HB CYS 64 1HB CYS 64 21.533 0.375 2.645 426 H GLN 65 H GLN 65 21.049 0.357 4.831 427 HA GLN 65 HA GLN 65 21.959 2.987 5.911 428 1HB GLN 65 2HB GLN 65 20.883 0.658 7.522 429 2HB GLN 65 1HB GLN 65 21.582 2.087 8.224 430 1HG GLN 65 2HG GLN 65 19.029 2.124 6.566 431 2HG GLN 65 1HG GLN 65 19.067 2.043 8.315 432 1HE2 GLN 65 1HE2 GLN 65 20.569 4.148 5.742 433 2HE2 GLN 65 2HE2 GLN 65 20.278 5.584 6.592 434 H CYS 66 H CYS 66 23.394 1.677 7.961 435 HA CYS 66 HA CYS 66 25.137 -0.300 6.675 436 1HB CYS 66 2HB CYS 66 26.015 2.333 7.726 437 2HB CYS 66 1HB CYS 66 27.020 1.100 7.201 438 H GLU 67 H GLU 67 26.538 -1.233 7.957 439 HA GLU 67 HA GLU 67 25.764 -1.413 10.816 440 1HB GLU 67 2HB GLU 67 26.200 -3.426 9.281 441 2HB GLU 67 1HB GLU 67 27.898 -3.027 9.311 442 1HG GLU 67 2HG GLU 67 26.156 -3.808 11.700 443 2HG GLU 67 1HG GLU 67 27.386 -4.802 10.960 444 H GLU 68 H GLU 68 26.564 0.929 10.745 445 HA GLU 68 HA GLU 68 28.065 2.553 11.388 446 1HB GLU 68 2HB GLU 68 29.374 0.143 12.696 447 2HB GLU 68 1HB GLU 68 29.774 1.801 13.068 448 1HG GLU 68 2HG GLU 68 27.402 2.203 13.770 449 2HG GLU 68 1HG GLU 68 26.986 0.551 13.339 450 H GLY 69 H GLY 69 30.493 0.063 11.079 451 1HA GLY 69 2HA GLY 69 32.505 1.669 9.994 452 2HA GLY 69 1HA GLY 69 32.536 -0.073 10.081 453 H PHE 70 H PHE 70 29.918 0.175 8.324 454 HA PHE 70 HA PHE 70 31.306 -0.357 5.914 455 1HB PHE 70 2HB PHE 70 28.404 0.112 6.443 456 2HB PHE 70 1HB PHE 70 29.025 -0.360 4.891 457 HD1 PHE 70 1HD PHE 70 27.243 -2.101 5.169 458 HD2 PHE 70 2HD PHE 70 30.776 -2.046 7.553 459 HE1 PHE 70 1HE PHE 70 26.933 -4.444 5.697 460 HE2 PHE 70 2HE PHE 70 30.455 -4.412 8.089 461 HZ PHE 70 HZ PHE 70 28.532 -5.628 7.161 462 H GLN 71 H GLN 71 30.943 0.702 3.836 463 HA GLN 71 HA GLN 71 30.307 3.545 3.885 464 1HB GLN 71 2HB GLN 71 32.858 2.181 3.131 465 2HB GLN 71 1HB GLN 71 32.383 3.521 2.149 466 1HG GLN 71 2HG GLN 71 32.678 3.610 5.199 467 2HG GLN 71 1HG GLN 71 33.844 4.272 4.054 468 1HE2 GLN 71 1HE2 GLN 71 32.536 5.960 5.930 469 2HE2 GLN 71 2HE2 GLN 71 31.501 7.012 5.092 470 H LEU 72 H LEU 72 30.496 4.391 1.644 471 HA LEU 72 HA LEU 72 28.507 2.887 0.088 472 1HB LEU 72 2HB LEU 72 28.395 5.360 0.266 473 2HB LEU 72 1HB LEU 72 29.917 5.492 -0.591 474 HG LEU 72 HG LEU 72 28.876 4.299 -2.561 475 1HD1 LEU 72 1HD1 LEU 72 26.281 4.541 -0.985 476 2HD1 LEU 72 2HD1 LEU 72 27.087 3.035 -1.391 477 3HD1 LEU 72 3HD1 LEU 72 26.414 4.034 -2.659 478 1HD2 LEU 72 1HD2 LEU 72 27.371 6.774 -1.611 479 2HD2 LEU 72 2HD2 LEU 72 27.453 6.214 -3.278 480 3HD2 LEU 72 3HD2 LEU 72 28.907 6.782 -2.471 481 H ASP 73 H ASP 73 29.231 1.201 -0.876 482 HA ASP 73 HA ASP 73 31.842 0.966 -2.160 483 1HB ASP 73 2HB ASP 73 30.658 -0.918 -1.015 484 2HB ASP 73 1HB ASP 73 29.411 -0.894 -2.245 485 HA PRO 74 HA PRO 74 30.095 2.733 -5.928 486 1HB PRO 74 2HB PRO 74 32.261 2.685 -7.505 487 2HB PRO 74 1HB PRO 74 32.188 3.750 -6.122 488 1HG PRO 74 2HG PRO 74 33.518 1.081 -6.328 489 2HG PRO 74 1HG PRO 74 34.126 2.601 -5.651 490 1HD PRO 74 2HD PRO 74 33.084 0.604 -4.108 491 2HD PRO 74 1HD PRO 74 33.018 2.318 -3.655 492 H HIS 75 H HIS 75 29.736 2.150 -8.103 493 HA HIS 75 HA HIS 75 29.017 0.733 -9.816 494 1HB HIS 75 2HB HIS 75 31.040 -1.259 -8.674 495 2HB HIS 75 1HB HIS 75 30.317 -1.299 -10.271 496 HD1 HIS 75 1HD HIS 75 32.693 0.763 -8.289 497 HD2 HIS 75 2HD HIS 75 31.538 0.346 -12.181 498 HE1 HIS 75 1HE HIS 75 34.271 2.110 -9.628 499 H THR 76 H THR 76 28.499 0.181 -6.686 500 HA THR 76 HA THR 76 26.477 -1.957 -7.157 501 HB THR 76 HB THR 76 27.074 -2.909 -4.881 502 HG1 THR 76 1HG THR 76 29.266 -1.139 -5.107 503 1HG2 THR 76 1HG2 THR 76 29.587 -2.606 -6.643 504 2HG2 THR 76 2HG2 THR 76 28.358 -3.825 -6.939 505 3HG2 THR 76 3HG2 THR 76 29.304 -3.869 -5.459 506 H LYS 77 H LYS 77 27.644 0.589 -5.209 507 HA LYS 77 HA LYS 77 26.659 2.342 -4.024 508 1HB LYS 77 2HB LYS 77 24.177 1.331 -5.179 509 2HB LYS 77 1HB LYS 77 24.324 2.876 -4.389 510 1HG LYS 77 2HG LYS 77 26.031 3.573 -6.070 511 2HG LYS 77 1HG LYS 77 25.859 2.033 -6.896 512 1HD LYS 77 2HD LYS 77 23.446 2.532 -7.304 513 2HD LYS 77 1HD LYS 77 23.645 4.092 -6.523 514 1HE LYS 77 2HE LYS 77 25.345 4.737 -8.222 515 2HE LYS 77 1HE LYS 77 25.171 3.167 -8.997 516 1HZ LYS 77 1HZ LYS 77 23.064 5.222 -8.700 517 2HZ LYS 77 2HZ LYS 77 22.831 3.679 -9.369 518 3HZ LYS 77 3HZ LYS 77 23.868 4.786 -10.133 519 H ALA 78 H ALA 78 26.279 -0.810 -3.386 520 HA ALA 78 HA ALA 78 24.371 -0.729 -1.164 521 1HB ALA 78 1HB ALA 78 24.704 -2.783 -2.554 522 2HB ALA 78 2HB ALA 78 25.090 -3.107 -0.867 523 3HB ALA 78 3HB ALA 78 26.380 -2.853 -2.033 524 H CYS 79 H CYS 79 25.036 -0.992 1.097 525 HA CYS 79 HA CYS 79 27.697 0.256 1.557 526 1HB CYS 79 2HB CYS 79 25.475 0.929 2.816 527 2HB CYS 79 1HB CYS 79 25.826 -0.495 3.778 528 H LYS 80 H LYS 80 29.299 -0.747 2.553 529 HA LYS 80 HA LYS 80 29.006 -3.348 3.871 530 1HB LYS 80 2HB LYS 80 30.441 -4.540 2.467 531 2HB LYS 80 1HB LYS 80 28.984 -4.099 1.624 532 1HG LYS 80 2HG LYS 80 30.635 -3.777 -0.038 533 2HG LYS 80 1HG LYS 80 30.268 -2.181 0.552 534 1HD LYS 80 2HD LYS 80 32.684 -2.472 0.184 535 2HD LYS 80 1HD LYS 80 32.383 -2.130 1.860 536 1HE LYS 80 2HE LYS 80 32.564 -4.573 2.378 537 2HE LYS 80 1HE LYS 80 32.801 -4.919 0.670 538 1HZ LYS 80 1HZ LYS 80 34.922 -4.402 0.835 539 2HZ LYS 80 2HZ LYS 80 34.721 -4.346 2.520 540 3HZ LYS 80 3HZ LYS 80 34.599 -2.924 1.602 541 H ALA 81 H ALA 81 31.085 -4.030 4.809 542 HA ALA 81 HA ALA 81 32.467 -2.319 6.360 543 1HB ALA 81 1HB ALA 81 34.344 -3.944 6.356 544 2HB ALA 81 2HB ALA 81 33.667 -4.693 4.915 545 3HB ALA 81 3HB ALA 81 32.775 -4.730 6.429 546 H VAL 82 H VAL 82 33.393 -0.443 6.024 547 HA VAL 82 HA VAL 82 34.374 0.709 3.749 548 HB VAL 82 HB VAL 82 34.122 1.904 5.890 549 1HG1 VAL 82 1HG1 VAL 82 35.823 1.649 7.696 550 2HG1 VAL 82 2HG1 VAL 82 36.639 0.400 6.771 551 3HG1 VAL 82 3HG1 VAL 82 35.033 0.112 7.402 552 1HG2 VAL 82 1HG2 VAL 82 35.592 2.963 4.213 553 2HG2 VAL 82 2HG2 VAL 82 36.981 2.114 4.864 554 3HG2 VAL 82 3HG2 VAL 82 36.149 3.313 5.840 Start of MODEL 14 1 H GLY 1 H GLY 1 -25.599 2.857 -1.097 2 1HA GLY 1 2HA GLY 1 -24.945 0.190 -0.355 3 2HA GLY 1 1HA GLY 1 -23.774 1.424 -0.820 4 H THR 2 H THR 2 -25.947 0.757 1.849 5 HA THR 2 HA THR 2 -25.866 1.101 4.110 6 HB THR 2 HB THR 2 -25.029 -1.106 3.676 7 HG1 THR 2 1HG THR 2 -24.296 -1.370 5.714 8 1HG2 THR 2 1HG2 THR 2 -22.580 -1.568 3.895 9 2HG2 THR 2 2HG2 THR 2 -22.261 0.154 4.026 10 3HG2 THR 2 3HG2 THR 2 -22.848 -0.530 2.516 11 H ASN 3 H ASN 3 -24.343 1.452 6.082 12 HA ASN 3 HA ASN 3 -22.666 3.862 5.552 13 1HB ASN 3 2HB ASN 3 -24.973 4.078 6.738 14 2HB ASN 3 1HB ASN 3 -24.278 3.195 8.074 15 1HD2 ASN 3 1HD2 ASN 3 -24.668 6.327 6.776 16 2HD2 ASN 3 2HD2 ASN 3 -23.602 7.146 7.813 17 H GLU 4 H GLU 4 -21.831 1.260 5.476 18 HA GLU 4 HA GLU 4 -20.182 0.774 7.870 19 1HB GLU 4 2HB GLU 4 -20.517 -0.672 5.205 20 2HB GLU 4 1HB GLU 4 -19.533 -1.254 6.526 21 1HG GLU 4 2HG GLU 4 -21.459 -1.470 7.986 22 2HG GLU 4 1HG GLU 4 -22.502 -0.639 6.863 23 H CYS 5 H CYS 5 -20.013 1.706 4.495 24 HA CYS 5 HA CYS 5 -17.177 1.999 4.489 25 1HB CYS 5 2HB CYS 5 -19.295 2.890 2.530 26 2HB CYS 5 1HB CYS 5 -17.589 2.914 2.217 27 H LEU 6 H LEU 6 -20.014 3.990 4.531 28 HA LEU 6 HA LEU 6 -19.029 6.561 4.322 29 1HB LEU 6 2HB LEU 6 -21.312 5.565 6.046 30 2HB LEU 6 1HB LEU 6 -21.088 7.212 5.523 31 HG LEU 6 HG LEU 6 -21.577 4.783 3.719 32 1HD1 LEU 6 1HD1 LEU 6 -23.305 7.221 4.316 33 2HD1 LEU 6 2HD1 LEU 6 -23.608 5.599 4.907 34 3HD1 LEU 6 3HD1 LEU 6 -23.718 5.936 3.190 35 1HD2 LEU 6 1HD2 LEU 6 -21.697 6.395 1.827 36 2HD2 LEU 6 2HD2 LEU 6 -20.103 6.434 2.548 37 3HD2 LEU 6 3HD2 LEU 6 -21.254 7.712 2.902 38 H ASP 7 H ASP 7 -19.396 4.564 7.159 39 HA ASP 7 HA ASP 7 -17.992 6.547 8.910 40 1HB ASP 7 2HB ASP 7 -20.187 5.348 9.624 41 2HB ASP 7 1HB ASP 7 -19.248 3.861 9.597 42 H ASN 8 H ASN 8 -16.798 4.675 10.563 43 HA ASN 8 HA ASN 8 -14.306 4.211 9.468 44 1HB ASN 8 2HB ASN 8 -15.744 2.759 11.557 45 2HB ASN 8 1HB ASN 8 -14.009 2.644 11.375 46 1HD2 ASN 8 1HD2 ASN 8 -12.732 4.560 11.903 47 2HD2 ASN 8 2HD2 ASN 8 -13.390 5.839 12.806 48 H ASN 9 H ASN 9 -13.731 2.850 7.848 49 HA ASN 9 HA ASN 9 -15.197 1.239 6.245 50 1HB ASN 9 2HB ASN 9 -12.835 1.735 5.832 51 2HB ASN 9 1HB ASN 9 -12.357 0.738 7.186 52 1HD2 ASN 9 1HD2 ASN 9 -11.007 -0.348 5.441 53 2HD2 ASN 9 2HD2 ASN 9 -11.739 -1.589 4.555 54 H GLY 10 H GLY 10 -16.829 0.215 7.525 55 1HA GLY 10 2HA GLY 10 -17.855 -1.618 8.535 56 2HA GLY 10 1HA GLY 10 -16.529 -2.537 7.849 57 H GLY 11 H GLY 11 -15.307 -0.164 9.789 58 1HA GLY 11 2HA GLY 11 -15.417 -0.402 12.398 59 2HA GLY 11 1HA GLY 11 -14.719 -1.991 12.055 60 H CYS 12 H CYS 12 -13.141 -1.253 9.866 61 HA CYS 12 HA CYS 12 -10.836 0.004 11.180 62 1HB CYS 12 2HB CYS 12 -9.659 -0.920 9.210 63 2HB CYS 12 1HB CYS 12 -10.662 -2.124 9.996 64 H SER 13 H SER 13 -9.883 0.760 8.366 65 HA SER 13 HA SER 13 -11.623 2.895 7.486 66 1HB SER 13 2HB SER 13 -10.041 4.778 8.152 67 2HB SER 13 1HB SER 13 -10.663 3.934 9.575 68 HG SER 13 HG SER 13 -8.208 3.476 8.231 69 H HIS 14 H HIS 14 -10.468 0.739 6.207 70 HA HIS 14 HA HIS 14 -8.509 1.951 4.336 71 1HB HIS 14 2HB HIS 14 -9.144 -0.962 5.037 72 2HB HIS 14 1HB HIS 14 -7.923 -0.423 3.909 73 HD1 HIS 14 1HD HIS 14 -7.647 -1.822 6.872 74 HD2 HIS 14 2HD HIS 14 -6.556 1.963 5.799 75 HE1 HIS 14 1HE HIS 14 -5.959 -1.090 8.517 76 H VAL 15 H VAL 15 -9.725 -0.782 3.047 77 HA VAL 15 HA VAL 15 -11.813 0.646 1.480 78 HB VAL 15 HB VAL 15 -9.801 -0.162 0.317 79 1HG1 VAL 15 1HG1 VAL 15 -9.234 -2.120 1.619 80 2HG1 VAL 15 2HG1 VAL 15 -9.421 -2.568 -0.067 81 3HG1 VAL 15 3HG1 VAL 15 -10.679 -2.959 1.082 82 1HG2 VAL 15 1HG2 VAL 15 -11.973 -0.039 -0.945 83 2HG2 VAL 15 2HG2 VAL 15 -12.367 -1.673 -0.441 84 3HG2 VAL 15 3HG2 VAL 15 -11.027 -1.393 -1.537 85 H CYS 16 H CYS 16 -13.852 0.029 1.675 86 HA CYS 16 HA CYS 16 -14.560 -2.229 3.395 87 1HB CYS 16 2HB CYS 16 -16.804 -1.320 3.144 88 2HB CYS 16 1HB CYS 16 -15.704 -0.045 3.569 89 H ASN 17 H ASN 17 -14.184 -4.154 2.436 90 HA ASN 17 HA ASN 17 -15.258 -4.567 -0.316 91 1HB ASN 17 2HB ASN 17 -12.958 -5.184 -0.002 92 2HB ASN 17 1HB ASN 17 -13.267 -6.023 1.488 93 1HD2 ASN 17 1HD2 ASN 17 -13.641 -8.233 1.258 94 2HD2 ASN 17 2HD2 ASN 17 -13.995 -9.021 -0.195 95 H ASP 18 H ASP 18 -17.063 -4.142 0.600 96 HA ASP 18 HA ASP 18 -18.513 -5.231 2.699 97 1HB ASP 18 2HB ASP 18 -19.178 -3.236 1.368 98 2HB ASP 18 1HB ASP 18 -19.631 -4.279 0.032 99 H LEU 19 H LEU 19 -18.264 -7.321 2.934 100 HA LEU 19 HA LEU 19 -18.810 -9.387 1.076 101 1HB LEU 19 2HB LEU 19 -17.382 -9.285 3.301 102 2HB LEU 19 1HB LEU 19 -18.912 -9.453 4.101 103 HG LEU 19 HG LEU 19 -19.336 -11.632 3.038 104 1HD1 LEU 19 1HD1 LEU 19 -17.983 -11.177 0.968 105 2HD1 LEU 19 2HD1 LEU 19 -17.467 -12.654 1.756 106 3HD1 LEU 19 3HD1 LEU 19 -16.531 -11.173 1.952 107 1HD2 LEU 19 1HD2 LEU 19 -18.211 -11.435 5.224 108 2HD2 LEU 19 2HD2 LEU 19 -16.649 -11.353 4.437 109 3HD2 LEU 19 3HD2 LEU 19 -17.609 -12.827 4.351 110 H LYS 20 H LYS 20 -20.588 -11.080 1.774 111 HA LYS 20 HA LYS 20 -23.139 -9.692 1.678 112 1HB LYS 20 2HB LYS 20 -24.073 -12.000 1.620 113 2HB LYS 20 1HB LYS 20 -22.751 -11.833 0.483 114 1HG LYS 20 2HG LYS 20 -21.207 -12.935 2.129 115 2HG LYS 20 1HG LYS 20 -22.562 -13.151 3.226 116 1HD LYS 20 2HD LYS 20 -23.762 -14.499 1.544 117 2HD LYS 20 1HD LYS 20 -22.429 -14.299 0.418 118 1HE LYS 20 2HE LYS 20 -20.901 -15.438 2.026 119 2HE LYS 20 1HE LYS 20 -22.239 -15.640 3.151 120 1HZ LYS 20 1HZ LYS 20 -21.953 -17.625 1.919 121 2HZ LYS 20 2HZ LYS 20 -22.011 -16.795 0.438 122 3HZ LYS 20 3HZ LYS 20 -23.401 -16.898 1.410 123 H ILE 21 H ILE 21 -21.339 -11.658 4.003 124 HA ILE 21 HA ILE 21 -22.621 -10.353 6.294 125 HB ILE 21 HB ILE 21 -22.475 -13.363 5.815 126 1HG1 ILE 21 2HG1 ILE 21 -24.917 -11.541 6.109 127 2HG1 ILE 21 1HG1 ILE 21 -24.391 -12.307 4.624 128 1HG2 ILE 21 1HG2 ILE 21 -21.969 -12.757 8.160 129 2HG2 ILE 21 2HG2 ILE 21 -23.531 -13.543 8.081 130 3HG2 ILE 21 3HG2 ILE 21 -23.437 -11.790 8.239 131 1HD1 ILE 21 1HD1 ILE 21 -25.338 -13.819 7.085 132 2HD1 ILE 21 2HD1 ILE 21 -24.781 -14.544 5.585 133 3HD1 ILE 21 3HD1 ILE 21 -26.240 -13.569 5.606 134 H GLY 22 H GLY 22 -20.781 -9.512 7.200 135 1HA GLY 22 2HA GLY 22 -18.907 -9.796 8.624 136 2HA GLY 22 1HA GLY 22 -18.548 -11.274 7.771 137 H TYR 23 H TYR 23 -19.201 -8.095 6.676 138 HA TYR 23 HA TYR 23 -17.702 -7.606 4.492 139 1HB TYR 23 2HB TYR 23 -17.678 -5.543 6.677 140 2HB TYR 23 1HB TYR 23 -17.787 -5.297 4.946 141 HD1 TYR 23 1HD TYR 23 -19.661 -5.733 7.920 142 HD2 TYR 23 2HD TYR 23 -19.913 -6.296 3.719 143 HE1 TYR 23 1HE TYR 23 -22.108 -5.841 8.083 144 HE2 TYR 23 2HE TYR 23 -22.350 -6.402 3.876 145 HH TYR 23 HH TYR 23 -23.992 -6.746 6.821 146 H GLU 24 H GLU 24 -15.690 -6.662 3.925 147 HA GLU 24 HA GLU 24 -13.534 -7.342 5.838 148 1HB GLU 24 2HB GLU 24 -13.523 -7.317 2.857 149 2HB GLU 24 1HB GLU 24 -12.210 -7.791 3.888 150 1HG GLU 24 2HG GLU 24 -13.746 -9.521 4.899 151 2HG GLU 24 1HG GLU 24 -14.952 -9.029 3.709 152 H CYS 25 H CYS 25 -11.627 -6.436 5.718 153 HA CYS 25 HA CYS 25 -11.405 -3.632 5.063 154 1HB CYS 25 2HB CYS 25 -10.504 -5.243 7.450 155 2HB CYS 25 1HB CYS 25 -9.804 -3.695 7.107 156 H LEU 26 H LEU 26 -10.627 -4.606 3.022 157 HA LEU 26 HA LEU 26 -8.089 -6.036 3.044 158 1HB LEU 26 2HB LEU 26 -9.397 -4.654 0.668 159 2HB LEU 26 1HB LEU 26 -8.314 -6.006 0.681 160 HG LEU 26 HG LEU 26 -11.148 -6.079 1.734 161 1HD1 LEU 26 1HD1 LEU 26 -11.082 -6.031 -0.722 162 2HD1 LEU 26 2HD1 LEU 26 -11.552 -7.627 -0.172 163 3HD1 LEU 26 3HD1 LEU 26 -9.927 -7.352 -0.745 164 1HD2 LEU 26 1HD2 LEU 26 -10.846 -8.494 1.993 165 2HD2 LEU 26 2HD2 LEU 26 -9.748 -7.616 3.039 166 3HD2 LEU 26 3HD2 LEU 26 -9.150 -8.352 1.556 167 H CYS 27 H CYS 27 -6.696 -4.769 1.076 168 HA CYS 27 HA CYS 27 -5.461 -2.605 2.532 169 1HB CYS 27 2HB CYS 27 -4.912 -3.841 -0.134 170 2HB CYS 27 1HB CYS 27 -3.966 -2.543 0.517 171 HA PRO 28 HA PRO 28 -7.580 0.666 0.374 172 1HB PRO 28 2HB PRO 28 -5.962 2.749 1.212 173 2HB PRO 28 1HB PRO 28 -7.220 2.047 2.177 174 1HG PRO 28 2HG PRO 28 -4.322 1.747 2.430 175 2HG PRO 28 1HG PRO 28 -5.584 1.547 3.644 176 1HD PRO 28 2HD PRO 28 -4.187 -0.498 2.297 177 2HD PRO 28 1HD PRO 28 -5.609 -0.673 3.341 178 H ASP 29 H ASP 29 -4.136 1.310 0.511 179 HA ASP 29 HA ASP 29 -4.030 2.056 -2.325 180 1HB ASP 29 2HB ASP 29 -1.830 2.927 -1.717 181 2HB ASP 29 1HB ASP 29 -2.982 3.426 -0.506 182 H GLY 30 H GLY 30 -1.210 1.323 -2.518 183 1HA GLY 30 2HA GLY 30 -1.422 -1.144 -3.808 184 2HA GLY 30 1HA GLY 30 0.048 -0.256 -3.562 185 H PHE 31 H PHE 31 -0.188 -0.572 -0.506 186 HA PHE 31 HA PHE 31 1.432 -2.818 -0.209 187 1HB PHE 31 2HB PHE 31 -0.503 -1.543 1.755 188 2HB PHE 31 1HB PHE 31 0.855 -2.551 2.204 189 HD1 PHE 31 1HD PHE 31 2.969 -1.646 0.330 190 HD2 PHE 31 2HD PHE 31 0.044 0.638 2.420 191 HE1 PHE 31 1HE PHE 31 4.409 0.327 0.188 192 HE2 PHE 31 2HE PHE 31 1.492 2.605 2.265 193 HZ PHE 31 HZ PHE 31 3.707 2.420 1.160 194 H GLN 32 H GLN 32 1.017 -4.671 1.282 195 HA GLN 32 HA GLN 32 -1.377 -6.190 0.297 196 1HB GLN 32 2HB GLN 32 0.848 -7.121 -0.305 197 2HB GLN 32 1HB GLN 32 1.269 -7.205 1.401 198 1HG GLN 32 2HG GLN 32 -0.579 -8.824 1.794 199 2HG GLN 32 1HG GLN 32 -1.076 -8.687 0.111 200 1HE2 GLN 32 1HE2 GLN 32 0.003 -9.984 -1.402 201 2HE2 GLN 32 2HE2 GLN 32 1.335 -10.970 -1.033 202 H LEU 33 H LEU 33 -2.605 -7.281 1.752 203 HA LEU 33 HA LEU 33 -2.709 -6.166 4.470 204 1HB LEU 33 2HB LEU 33 -4.741 -6.724 2.926 205 2HB LEU 33 1HB LEU 33 -4.461 -8.399 3.327 206 HG LEU 33 HG LEU 33 -4.602 -7.656 5.812 207 1HD1 LEU 33 1HD1 LEU 33 -5.804 -5.186 4.498 208 2HD1 LEU 33 2HD1 LEU 33 -4.324 -5.218 5.439 209 3HD1 LEU 33 3HD1 LEU 33 -5.863 -5.539 6.208 210 1HD2 LEU 33 1HD2 LEU 33 -6.425 -8.910 4.748 211 2HD2 LEU 33 2HD2 LEU 33 -7.095 -7.422 4.099 212 3HD2 LEU 33 3HD2 LEU 33 -7.076 -7.689 5.830 213 H VAL 34 H VAL 34 -0.495 -7.112 4.860 214 HA VAL 34 HA VAL 34 -0.270 -9.963 5.262 215 HB VAL 34 HB VAL 34 1.995 -9.385 6.035 216 1HG1 VAL 34 1HG1 VAL 34 1.111 -8.014 3.463 217 2HG1 VAL 34 2HG1 VAL 34 1.528 -9.712 3.631 218 3HG1 VAL 34 3HG1 VAL 34 2.760 -8.480 3.842 219 1HG2 VAL 34 1HG2 VAL 34 2.780 -7.063 5.854 220 2HG2 VAL 34 2HG2 VAL 34 1.553 -7.198 7.095 221 3HG2 VAL 34 3HG2 VAL 34 1.139 -6.517 5.527 222 H ALA 35 H ALA 35 -0.279 -7.200 7.460 223 HA ALA 35 HA ALA 35 -0.288 -8.881 9.769 224 1HB ALA 35 1HB ALA 35 -0.264 -6.682 10.983 225 2HB ALA 35 2HB ALA 35 -0.451 -5.888 9.424 226 3HB ALA 35 3HB ALA 35 0.985 -6.831 9.755 227 H GLN 36 H GLN 36 -2.419 -9.701 8.599 228 HA GLN 36 HA GLN 36 -4.635 -10.232 8.844 229 1HB GLN 36 2HB GLN 36 -4.439 -8.601 11.430 230 2HB GLN 36 1HB GLN 36 -5.730 -9.706 11.002 231 1HG GLN 36 2HG GLN 36 -4.202 -11.605 10.929 232 2HG GLN 36 1HG GLN 36 -2.830 -10.561 11.283 233 1HE2 GLN 36 1HE2 GLN 36 -2.392 -10.163 13.462 234 2HE2 GLN 36 2HE2 GLN 36 -3.426 -10.583 14.743 235 H ARG 37 H ARG 37 -4.800 -6.946 10.238 236 HA ARG 37 HA ARG 37 -6.728 -6.203 8.062 237 1HB ARG 37 2HB ARG 37 -6.698 -5.240 10.958 238 2HB ARG 37 1HB ARG 37 -7.733 -4.585 9.717 239 1HG ARG 37 2HG ARG 37 -9.049 -6.101 11.055 240 2HG ARG 37 1HG ARG 37 -8.837 -6.818 9.475 241 1HD ARG 37 2HD ARG 37 -7.128 -8.336 10.344 242 2HD ARG 37 1HD ARG 37 -7.208 -7.576 11.935 243 HE ARG 37 HE ARG 37 -9.774 -8.573 10.958 244 1HH1 ARG 37 2HH1 ARG 37 -6.809 -9.388 12.565 245 2HH1 ARG 37 1HH1 ARG 37 -7.492 -10.751 13.379 246 1HH2 ARG 37 1HH2 ARG 37 -10.659 -10.309 11.990 247 2HH2 ARG 37 2HH2 ARG 37 -9.695 -11.279 13.053 248 H ARG 38 H ARG 38 -3.768 -5.613 9.474 249 HA ARG 38 HA ARG 38 -3.601 -2.766 8.620 250 1HB ARG 38 2HB ARG 38 -2.741 -3.329 10.861 251 2HB ARG 38 1HB ARG 38 -1.685 -4.549 10.203 252 1HG ARG 38 2HG ARG 38 -0.513 -2.700 8.876 253 2HG ARG 38 1HG ARG 38 -1.565 -1.536 9.660 254 1HD ARG 38 2HD ARG 38 0.611 -1.659 10.837 255 2HD ARG 38 1HD ARG 38 -0.667 -2.270 11.888 256 HE ARG 38 HE ARG 38 0.529 -4.386 10.310 257 1HH1 ARG 38 2HH1 ARG 38 0.943 -2.390 13.111 258 2HH1 ARG 38 1HH1 ARG 38 1.942 -3.543 13.928 259 1HH2 ARG 38 1HH2 ARG 38 1.796 -5.862 11.320 260 2HH2 ARG 38 2HH2 ARG 38 2.433 -5.542 12.897 261 H CYS 39 H CYS 39 -2.991 -2.446 6.622 262 HA CYS 39 HA CYS 39 -1.560 -4.536 5.102 263 1HB CYS 39 2HB CYS 39 -3.639 -3.527 4.221 264 2HB CYS 39 1HB CYS 39 -2.861 -1.968 4.183 265 H GLU 40 H GLU 40 0.492 -4.406 4.469 266 HA GLU 40 HA GLU 40 1.897 -1.820 4.262 267 1HB GLU 40 2HB GLU 40 2.237 -2.623 6.648 268 2HB GLU 40 1HB GLU 40 2.912 -4.103 6.015 269 1HG GLU 40 2HG GLU 40 4.793 -2.929 4.987 270 2HG GLU 40 1HG GLU 40 4.120 -1.365 5.367 271 H ASP 41 H ASP 41 4.026 -2.067 3.315 272 HA ASP 41 HA ASP 41 3.994 -3.798 0.991 273 1HB ASP 41 2HB ASP 41 4.974 -1.527 0.835 274 2HB ASP 41 1HB ASP 41 6.125 -1.899 2.079 275 H ILE 42 H ILE 42 5.876 -5.106 0.398 276 HA ILE 42 HA ILE 42 6.348 -7.154 2.260 277 HB ILE 42 HB ILE 42 6.563 -7.516 -0.200 278 1HG1 ILE 42 2HG1 ILE 42 9.204 -8.045 1.261 279 2HG1 ILE 42 1HG1 ILE 42 7.777 -9.051 1.385 280 1HG2 ILE 42 1HG2 ILE 42 7.592 -5.320 -0.790 281 2HG2 ILE 42 2HG2 ILE 42 8.541 -6.629 -1.445 282 3HG2 ILE 42 3HG2 ILE 42 9.089 -5.790 -0.008 283 1HD1 ILE 42 1HD1 ILE 42 9.400 -10.005 -0.204 284 2HD1 ILE 42 2HD1 ILE 42 9.372 -8.547 -1.172 285 3HD1 ILE 42 3HD1 ILE 42 7.933 -9.547 -1.052 286 H ASP 43 H ASP 43 8.182 -7.622 3.556 287 HA ASP 43 HA ASP 43 9.664 -5.244 4.439 288 1HB ASP 43 2HB ASP 43 8.757 -6.935 6.073 289 2HB ASP 43 1HB ASP 43 9.867 -8.130 5.429 290 H GLU 44 H GLU 44 11.122 -4.679 2.976 291 HA GLU 44 HA GLU 44 12.884 -6.603 1.664 292 1HB GLU 44 2HB GLU 44 13.819 -4.591 0.546 293 2HB GLU 44 1HB GLU 44 12.094 -4.724 0.348 294 1HG GLU 44 2HG GLU 44 13.396 -2.913 2.443 295 2HG GLU 44 1HG GLU 44 12.904 -2.391 0.851 296 H CYS 45 H CYS 45 12.945 -5.218 4.724 297 HA CYS 45 HA CYS 45 15.700 -4.525 4.821 298 1HB CYS 45 2HB CYS 45 13.631 -5.001 6.987 299 2HB CYS 45 1HB CYS 45 15.258 -4.552 7.322 300 H GLN 46 H GLN 46 13.911 -6.911 6.617 301 HA GLN 46 HA GLN 46 15.837 -8.564 7.602 302 1HB GLN 46 2HB GLN 46 13.149 -9.368 6.409 303 2HB GLN 46 1HB GLN 46 14.082 -10.359 7.502 304 1HG GLN 46 2HG GLN 46 12.970 -7.592 8.183 305 2HG GLN 46 1HG GLN 46 12.286 -9.117 8.716 306 1HE2 GLN 46 1HE2 GLN 46 13.839 -10.547 10.026 307 2HE2 GLN 46 2HE2 GLN 46 14.935 -9.764 11.061 308 H ASP 47 H ASP 47 14.410 -8.739 4.406 309 HA ASP 47 HA ASP 47 16.014 -10.931 3.549 310 1HB ASP 47 2HB ASP 47 13.765 -10.598 2.618 311 2HB ASP 47 1HB ASP 47 14.234 -9.031 1.980 312 HA PRO 48 HA PRO 48 19.381 -8.040 2.620 313 1HB PRO 48 2HB PRO 48 20.886 -10.258 1.408 314 2HB PRO 48 1HB PRO 48 21.205 -9.395 2.886 315 1HG PRO 48 2HG PRO 48 20.345 -11.987 2.783 316 2HG PRO 48 1HG PRO 48 20.139 -10.917 4.177 317 1HD PRO 48 2HD PRO 48 18.156 -11.763 2.119 318 2HD PRO 48 1HD PRO 48 17.947 -11.401 3.846 319 H ASP 49 H ASP 49 18.344 -6.858 1.084 320 HA ASP 49 HA ASP 49 19.003 -7.511 -1.728 321 1HB ASP 49 2HB ASP 49 16.710 -8.313 -1.393 322 2HB ASP 49 1HB ASP 49 16.246 -6.781 -0.673 323 H THR 50 H THR 50 17.115 -5.071 -0.014 324 HA THR 50 HA THR 50 18.147 -2.900 -1.555 325 HB THR 50 HB THR 50 16.836 -1.529 0.153 326 HG1 THR 50 1HG THR 50 16.986 -2.682 1.964 327 1HG2 THR 50 1HG2 THR 50 15.657 -2.619 -1.836 328 2HG2 THR 50 2HG2 THR 50 14.629 -2.522 -0.420 329 3HG2 THR 50 3HG2 THR 50 15.394 -4.044 -0.846 330 H CYS 51 H CYS 51 18.465 -3.201 1.995 331 HA CYS 51 HA CYS 51 20.887 -1.536 1.863 332 1HB CYS 51 2HB CYS 51 19.553 -2.823 4.238 333 2HB CYS 51 1HB CYS 51 20.617 -1.440 4.203 334 H SER 52 H SER 52 22.999 -2.284 2.640 335 HA SER 52 HA SER 52 23.603 -4.997 1.983 336 1HB SER 52 2HB SER 52 25.234 -2.904 3.500 337 2HB SER 52 1HB SER 52 25.872 -4.381 2.771 338 HG SER 52 HG SER 52 24.950 -3.668 0.779 339 H GLN 53 H GLN 53 23.032 -3.279 4.964 340 HA GLN 53 HA GLN 53 22.801 -5.852 6.426 341 1HB GLN 53 2HB GLN 53 24.367 -3.406 7.361 342 2HB GLN 53 1HB GLN 53 24.016 -4.793 8.370 343 1HG GLN 53 2HG GLN 53 25.595 -4.900 5.781 344 2HG GLN 53 1HG GLN 53 26.331 -4.782 7.365 345 1HE2 GLN 53 1HE2 GLN 53 27.421 -6.817 6.697 346 2HE2 GLN 53 2HE2 GLN 53 26.613 -8.297 6.900 347 H LEU 54 H LEU 54 22.739 -2.724 8.074 348 HA LEU 54 HA LEU 54 20.148 -3.297 9.063 349 1HB LEU 54 2HB LEU 54 21.654 -0.723 8.986 350 2HB LEU 54 1HB LEU 54 20.151 -0.976 9.847 351 HG LEU 54 HG LEU 54 22.850 -2.177 10.474 352 1HD1 LEU 54 1HD1 LEU 54 22.278 0.172 11.143 353 2HD1 LEU 54 2HD1 LEU 54 22.382 -0.884 12.557 354 3HD1 LEU 54 3HD1 LEU 54 20.814 -0.421 11.899 355 1HD2 LEU 54 1HD2 LEU 54 20.142 -2.675 11.777 356 2HD2 LEU 54 2HD2 LEU 54 21.692 -3.301 12.336 357 3HD2 LEU 54 3HD2 LEU 54 21.010 -3.872 10.819 358 H CYS 55 H CYS 55 18.459 -2.128 9.094 359 HA CYS 55 HA CYS 55 17.677 -0.274 6.984 360 1HB CYS 55 2HB CYS 55 17.721 -2.299 5.701 361 2HB CYS 55 1HB CYS 55 16.820 -3.199 6.827 362 H VAL 56 H VAL 56 15.182 -0.098 6.949 363 HA VAL 56 HA VAL 56 13.880 -0.425 9.584 364 HB VAL 56 HB VAL 56 14.229 2.306 8.205 365 1HG1 VAL 56 1HG1 VAL 56 13.013 3.217 10.176 366 2HG1 VAL 56 2HG1 VAL 56 12.802 1.594 10.811 367 3HG1 VAL 56 3HG1 VAL 56 12.010 2.064 9.317 368 1HG2 VAL 56 1HG2 VAL 56 15.358 1.336 10.865 369 2HG2 VAL 56 2HG2 VAL 56 15.505 2.965 10.228 370 3HG2 VAL 56 3HG2 VAL 56 16.290 1.633 9.407 371 H ASN 57 H ASN 57 12.262 -1.610 8.791 372 HA ASN 57 HA ASN 57 11.012 -1.108 6.191 373 1HB ASN 57 2HB ASN 57 11.467 -3.440 7.014 374 2HB ASN 57 1HB ASN 57 10.338 -3.113 8.322 375 1HD2 ASN 57 1HD2 ASN 57 8.808 -4.714 7.771 376 2HD2 ASN 57 2HD2 ASN 57 7.865 -4.616 6.363 377 H LEU 58 H LEU 58 8.906 -0.930 5.837 378 HA LEU 58 HA LEU 58 6.639 -0.481 7.419 379 1HB LEU 58 2HB LEU 58 6.366 1.938 7.527 380 2HB LEU 58 1HB LEU 58 7.809 1.512 8.371 381 HG LEU 58 HG LEU 58 7.909 2.473 5.494 382 1HD1 LEU 58 1HD1 LEU 58 8.237 4.069 8.108 383 2HD1 LEU 58 2HD1 LEU 58 6.875 4.232 7.011 384 3HD1 LEU 58 3HD1 LEU 58 8.480 4.717 6.494 385 1HD2 LEU 58 1HD2 LEU 58 10.212 3.038 6.122 386 2HD2 LEU 58 2HD2 LEU 58 9.917 1.330 6.312 387 3HD2 LEU 58 3HD2 LEU 58 9.955 2.380 7.723 388 H GLU 59 H GLU 59 5.550 1.659 6.002 389 HA GLU 59 HA GLU 59 4.838 0.366 3.511 390 1HB GLU 59 2HB GLU 59 3.871 2.754 5.048 391 2HB GLU 59 1HB GLU 59 3.374 2.680 3.408 392 1HG GLU 59 2HG GLU 59 1.579 1.595 4.573 393 2HG GLU 59 1HG GLU 59 2.532 0.270 4.004 394 H GLY 60 H GLY 60 6.407 0.295 2.299 395 1HA GLY 60 2HA GLY 60 7.784 0.765 0.546 396 2HA GLY 60 1HA GLY 60 6.653 2.055 0.199 397 H GLY 61 H GLY 61 7.506 2.963 3.050 398 1HA GLY 61 2HA GLY 61 9.572 4.854 2.150 399 2HA GLY 61 1HA GLY 61 8.691 4.902 3.678 400 H TYR 62 H TYR 62 10.087 1.940 2.841 401 HA TYR 62 HA TYR 62 11.629 1.745 5.176 402 1HB TYR 62 2HB TYR 62 12.673 -0.246 4.218 403 2HB TYR 62 1HB TYR 62 11.016 -0.176 3.647 404 HD1 TYR 62 1HD TYR 62 14.518 0.127 2.741 405 HD2 TYR 62 2HD TYR 62 10.541 0.452 1.250 406 HE1 TYR 62 1HE TYR 62 15.387 0.118 0.469 407 HE2 TYR 62 2HE TYR 62 11.416 0.439 -1.038 408 HH TYR 62 HH TYR 62 13.777 1.126 -2.118 409 H LYS 63 H LYS 63 13.674 2.251 5.817 410 HA LYS 63 HA LYS 63 15.433 3.610 3.846 411 1HB LYS 63 2HB LYS 63 15.074 4.234 6.765 412 2HB LYS 63 1HB LYS 63 16.112 5.027 5.639 413 1HG LYS 63 2HG LYS 63 14.139 5.770 4.279 414 2HG LYS 63 1HG LYS 63 13.090 4.979 5.446 415 1HD LYS 63 2HD LYS 63 13.895 6.463 7.243 416 2HD LYS 63 1HD LYS 63 14.974 7.264 6.112 417 1HE LYS 63 2HE LYS 63 13.012 7.965 4.739 418 2HE LYS 63 1HE LYS 63 11.933 7.163 5.873 419 1HZ LYS 63 1HZ LYS 63 12.752 9.731 6.009 420 2HZ LYS 63 2HZ LYS 63 13.750 8.966 7.149 421 3HZ LYS 63 3HZ LYS 63 12.061 8.841 7.280 422 H CYS 64 H CYS 64 17.632 3.516 4.358 423 HA CYS 64 HA CYS 64 18.441 0.996 5.669 424 1HB CYS 64 2HB CYS 64 19.899 2.801 3.785 425 2HB CYS 64 1HB CYS 64 20.535 1.349 4.464 426 H GLN 65 H GLN 65 20.399 0.920 6.745 427 HA GLN 65 HA GLN 65 21.502 3.337 8.078 428 1HB GLN 65 2HB GLN 65 20.725 0.919 9.750 429 2HB GLN 65 1HB GLN 65 21.243 2.472 10.287 430 1HG GLN 65 2HG GLN 65 19.182 3.563 9.577 431 2HG GLN 65 1HG GLN 65 18.575 2.053 8.906 432 1HE2 GLN 65 1HE2 GLN 65 18.235 0.232 10.460 433 2HE2 GLN 65 2HE2 GLN 65 17.864 0.590 12.077 434 H CYS 66 H CYS 66 23.280 2.019 9.707 435 HA CYS 66 HA CYS 66 24.700 0.157 7.879 436 1HB CYS 66 2HB CYS 66 25.986 2.198 9.653 437 2HB CYS 66 1HB CYS 66 26.685 1.168 8.557 438 H GLU 67 H GLU 67 26.070 -1.241 8.705 439 HA GLU 67 HA GLU 67 25.354 -2.397 11.320 440 1HB GLU 67 2HB GLU 67 25.547 -3.752 9.260 441 2HB GLU 67 1HB GLU 67 27.242 -3.344 9.123 442 1HG GLU 67 2HG GLU 67 27.666 -4.555 11.309 443 2HG GLU 67 1HG GLU 67 25.953 -4.925 11.401 444 H GLU 68 H GLU 68 26.357 -0.167 11.962 445 HA GLU 68 HA GLU 68 27.938 0.981 13.195 446 1HB GLU 68 2HB GLU 68 29.056 -1.842 13.619 447 2HB GLU 68 1HB GLU 68 29.556 -0.440 14.519 448 1HG GLU 68 2HG GLU 68 27.875 -1.717 15.804 449 2HG GLU 68 1HG GLU 68 27.189 -0.170 15.351 450 H GLY 69 H GLY 69 30.142 -1.504 12.070 451 1HA GLY 69 2HA GLY 69 32.281 0.147 11.413 452 2HA GLY 69 1HA GLY 69 32.060 -1.481 10.783 453 H PHE 70 H PHE 70 29.408 -0.539 9.624 454 HA PHE 70 HA PHE 70 30.464 0.188 7.090 455 1HB PHE 70 2HB PHE 70 27.719 -0.325 8.169 456 2HB PHE 70 1HB PHE 70 27.899 0.265 6.525 457 HD1 PHE 70 1HD PHE 70 26.893 -1.654 5.527 458 HD2 PHE 70 2HD PHE 70 30.232 -2.183 8.114 459 HE1 PHE 70 1HE PHE 70 27.120 -3.975 4.785 460 HE2 PHE 70 2HE PHE 70 30.443 -4.509 7.379 461 HZ PHE 70 HZ PHE 70 28.886 -5.412 5.705 462 H GLN 71 H GLN 71 29.706 2.040 5.847 463 HA GLN 71 HA GLN 71 28.877 4.375 7.398 464 1HB GLN 71 2HB GLN 71 31.327 3.937 5.743 465 2HB GLN 71 1HB GLN 71 30.620 5.509 5.674 466 1HG GLN 71 2HG GLN 71 31.424 4.076 8.261 467 2HG GLN 71 1HG GLN 71 32.365 5.351 7.488 468 1HE2 GLN 71 1HE2 GLN 71 31.396 5.768 10.093 469 2HE2 GLN 71 2HE2 GLN 71 30.168 6.940 10.066 470 H LEU 72 H LEU 72 28.595 6.216 5.977 471 HA LEU 72 HA LEU 72 26.475 5.479 4.084 472 1HB LEU 72 2HB LEU 72 26.247 7.431 5.613 473 2HB LEU 72 1HB LEU 72 27.568 8.226 4.783 474 HG LEU 72 HG LEU 72 26.236 8.036 2.624 475 1HD1 LEU 72 1HD1 LEU 72 23.810 7.580 2.773 476 2HD1 LEU 72 2HD1 LEU 72 23.981 7.158 4.467 477 3HD1 LEU 72 3HD1 LEU 72 24.734 6.166 3.230 478 1HD2 LEU 72 1HD2 LEU 72 24.668 9.885 3.208 479 2HD2 LEU 72 2HD2 LEU 72 26.239 10.128 3.958 480 3HD2 LEU 72 3HD2 LEU 72 24.891 9.532 4.917 481 H ASP 73 H ASP 73 27.235 4.642 2.281 482 HA ASP 73 HA ASP 73 29.597 5.588 0.874 483 1HB ASP 73 2HB ASP 73 28.778 3.218 0.719 484 2HB ASP 73 1HB ASP 73 27.358 3.772 -0.151 485 HA PRO 74 HA PRO 74 27.320 8.878 -1.180 486 1HB PRO 74 2HB PRO 74 29.243 9.842 -2.769 487 2HB PRO 74 1HB PRO 74 29.373 9.981 -1.030 488 1HG PRO 74 2HG PRO 74 30.630 7.925 -2.814 489 2HG PRO 74 1HG PRO 74 31.370 8.893 -1.525 490 1HD PRO 74 2HD PRO 74 30.540 6.339 -1.147 491 2HD PRO 74 1HD PRO 74 30.536 7.555 0.145 492 H HIS 75 H HIS 75 26.734 9.570 -3.318 493 HA HIS 75 HA HIS 75 25.791 9.242 -5.420 494 1HB HIS 75 2HB HIS 75 27.978 7.129 -5.722 495 2HB HIS 75 1HB HIS 75 27.051 7.854 -7.027 496 HD1 HIS 75 1HD HIS 75 29.655 8.752 -4.539 497 HD2 HIS 75 2HD HIS 75 27.869 10.450 -7.792 498 HE1 HIS 75 1HE HIS 75 30.956 10.783 -5.063 499 H THR 76 H THR 76 25.581 7.130 -3.065 500 HA THR 76 HA THR 76 23.517 5.443 -4.377 501 HB THR 76 HB THR 76 24.375 3.479 -3.000 502 HG1 THR 76 1HG THR 76 25.413 4.569 -1.433 503 1HG2 THR 76 1HG2 THR 76 25.309 3.793 -5.403 504 2HG2 THR 76 2HG2 THR 76 26.459 3.036 -4.314 505 3HG2 THR 76 3HG2 THR 76 26.617 4.738 -4.710 506 H LYS 77 H LYS 77 24.977 6.666 -1.544 507 HA LYS 77 HA LYS 77 24.181 7.421 0.524 508 1HB LYS 77 2HB LYS 77 21.562 7.095 -0.737 509 2HB LYS 77 1HB LYS 77 21.822 7.959 0.754 510 1HG LYS 77 2HG LYS 77 23.353 9.538 -0.456 511 2HG LYS 77 1HG LYS 77 23.008 8.703 -1.963 512 1HD LYS 77 2HD LYS 77 20.587 9.259 -1.719 513 2HD LYS 77 1HD LYS 77 20.932 10.095 -0.214 514 1HE LYS 77 2HE LYS 77 20.786 11.704 -2.099 515 2HE LYS 77 1HE LYS 77 22.414 11.686 -1.440 516 1HZ LYS 77 1HZ LYS 77 21.679 9.953 -3.705 517 2HZ LYS 77 2HZ LYS 77 23.215 10.497 -3.231 518 3HZ LYS 77 3HZ LYS 77 22.115 11.576 -3.947 519 H ALA 78 H ALA 78 24.224 4.516 -0.491 520 HA ALA 78 HA ALA 78 22.542 3.154 1.541 521 1HB ALA 78 1HB ALA 78 24.222 2.061 -0.755 522 2HB ALA 78 2HB ALA 78 22.485 2.324 -0.806 523 3HB ALA 78 3HB ALA 78 23.160 1.105 0.268 524 H CYS 79 H CYS 79 23.542 1.568 2.915 525 HA CYS 79 HA CYS 79 26.240 2.397 3.768 526 1HB CYS 79 2HB CYS 79 24.195 0.667 5.082 527 2HB CYS 79 1HB CYS 79 25.779 0.919 5.742 528 H LYS 80 H LYS 80 27.911 1.160 4.087 529 HA LYS 80 HA LYS 80 27.931 -1.717 3.653 530 1HB LYS 80 2HB LYS 80 29.546 -1.693 2.004 531 2HB LYS 80 1HB LYS 80 28.002 -1.161 1.361 532 1HG LYS 80 2HG LYS 80 29.599 0.260 0.260 533 2HG LYS 80 1HG LYS 80 28.879 1.250 1.508 534 1HD LYS 80 2HD LYS 80 30.870 0.991 2.934 535 2HD LYS 80 1HD LYS 80 31.562 -0.161 1.801 536 1HE LYS 80 2HE LYS 80 31.660 1.689 0.122 537 2HE LYS 80 1HE LYS 80 30.946 2.784 1.304 538 1HZ LYS 80 1HZ LYS 80 33.443 1.282 1.790 539 2HZ LYS 80 2HZ LYS 80 32.802 2.557 2.707 540 3HZ LYS 80 3HZ LYS 80 33.406 2.853 1.145 541 H ALA 81 H ALA 81 30.301 -2.515 3.908 542 HA ALA 81 HA ALA 81 31.504 -1.601 6.266 543 1HB ALA 81 1HB ALA 81 32.009 -3.779 5.234 544 2HB ALA 81 2HB ALA 81 33.496 -2.897 5.548 545 3HB ALA 81 3HB ALA 81 32.848 -2.978 3.916 546 H VAL 82 H VAL 82 32.516 0.224 6.809 547 HA VAL 82 HA VAL 82 33.104 2.357 5.181 548 HB VAL 82 HB VAL 82 33.104 2.450 7.649 549 1HG1 VAL 82 1HG1 VAL 82 35.065 1.639 8.949 550 2HG1 VAL 82 2HG1 VAL 82 35.802 1.011 7.486 551 3HG1 VAL 82 3HG1 VAL 82 34.328 0.298 8.095 552 1HG2 VAL 82 1HG2 VAL 82 35.753 3.402 6.483 553 2HG2 VAL 82 2HG2 VAL 82 35.030 3.967 7.979 554 3HG2 VAL 82 3HG2 VAL 82 34.237 4.286 6.446 Start of MODEL 15 1 H GLY 1 H GLY 1 -28.884 -1.728 0.157 2 1HA GLY 1 2HA GLY 1 -25.995 -1.312 -0.429 3 2HA GLY 1 1HA GLY 1 -27.155 -0.026 -0.770 4 H THR 2 H THR 2 -26.174 -2.188 1.859 5 HA THR 2 HA THR 2 -27.230 -0.741 3.989 6 HB THR 2 HB THR 2 -24.891 -2.725 3.872 7 HG1 THR 2 1HG THR 2 -26.606 -3.790 3.322 8 1HG2 THR 2 1HG2 THR 2 -26.643 -2.013 6.273 9 2HG2 THR 2 2HG2 THR 2 -24.955 -1.538 6.149 10 3HG2 THR 2 3HG2 THR 2 -25.377 -3.229 6.215 11 H ASN 3 H ASN 3 -25.862 0.069 5.789 12 HA ASN 3 HA ASN 3 -24.263 2.343 4.889 13 1HB ASN 3 2HB ASN 3 -26.237 2.547 6.501 14 2HB ASN 3 1HB ASN 3 -25.425 1.478 7.615 15 1HD2 ASN 3 1HD2 ASN 3 -25.748 4.783 6.600 16 2HD2 ASN 3 2HD2 ASN 3 -24.654 5.439 7.719 17 H GLU 4 H GLU 4 -23.051 -0.152 4.587 18 HA GLU 4 HA GLU 4 -21.132 -0.542 6.721 19 1HB GLU 4 2HB GLU 4 -20.122 -2.161 5.275 20 2HB GLU 4 1HB GLU 4 -21.837 -2.342 5.104 21 1HG GLU 4 2HG GLU 4 -20.006 -0.961 3.093 22 2HG GLU 4 1HG GLU 4 -20.676 -2.562 2.932 23 H CYS 5 H CYS 5 -21.179 1.132 3.631 24 HA CYS 5 HA CYS 5 -18.458 1.978 3.844 25 1HB CYS 5 2HB CYS 5 -20.662 2.562 1.881 26 2HB CYS 5 1HB CYS 5 -19.072 3.246 1.728 27 H LEU 6 H LEU 6 -21.629 3.310 4.129 28 HA LEU 6 HA LEU 6 -21.177 6.028 4.280 29 1HB LEU 6 2HB LEU 6 -23.066 4.307 5.859 30 2HB LEU 6 1HB LEU 6 -23.252 6.031 5.681 31 HG LEU 6 HG LEU 6 -23.409 3.852 3.520 32 1HD1 LEU 6 1HD1 LEU 6 -25.711 4.676 3.187 33 2HD1 LEU 6 2HD1 LEU 6 -25.483 5.841 4.483 34 3HD1 LEU 6 3HD1 LEU 6 -25.460 4.120 4.829 35 1HD2 LEU 6 1HD2 LEU 6 -23.595 6.879 3.077 36 2HD2 LEU 6 2HD2 LEU 6 -23.880 5.653 1.852 37 3HD2 LEU 6 3HD2 LEU 6 -22.276 5.865 2.515 38 H ASP 7 H ASP 7 -20.878 3.595 6.746 39 HA ASP 7 HA ASP 7 -19.687 5.522 8.704 40 1HB ASP 7 2HB ASP 7 -21.715 4.077 9.318 41 2HB ASP 7 1HB ASP 7 -20.681 2.680 9.059 42 H ASN 8 H ASN 8 -18.311 3.587 10.107 43 HA ASN 8 HA ASN 8 -15.768 3.498 9.127 44 1HB ASN 8 2HB ASN 8 -17.239 1.551 10.725 45 2HB ASN 8 1HB ASN 8 -15.499 1.511 10.684 46 1HD2 ASN 8 1HD2 ASN 8 -18.236 2.960 12.195 47 2HD2 ASN 8 2HD2 ASN 8 -17.406 4.147 13.076 48 H ASN 9 H ASN 9 -14.662 2.202 7.472 49 HA ASN 9 HA ASN 9 -16.162 0.957 5.516 50 1HB ASN 9 2HB ASN 9 -13.292 0.537 6.343 51 2HB ASN 9 1HB ASN 9 -13.953 -0.202 4.903 52 1HD2 ASN 9 1HD2 ASN 9 -14.149 2.976 6.451 53 2HD2 ASN 9 2HD2 ASN 9 -13.758 3.890 5.076 54 H GLY 10 H GLY 10 -17.710 -0.358 6.377 55 1HA GLY 10 2HA GLY 10 -18.674 -2.367 7.011 56 2HA GLY 10 1HA GLY 10 -17.216 -3.110 6.357 57 H GLY 11 H GLY 11 -16.674 -0.793 8.746 58 1HA GLY 11 2HA GLY 11 -16.942 -1.334 11.228 59 2HA GLY 11 1HA GLY 11 -16.105 -2.832 10.842 60 H CYS 12 H CYS 12 -14.484 -0.895 8.814 61 HA CYS 12 HA CYS 12 -12.591 0.067 10.887 62 1HB CYS 12 2HB CYS 12 -10.898 -0.460 9.404 63 2HB CYS 12 1HB CYS 12 -11.867 -1.900 9.610 64 H SER 13 H SER 13 -11.163 0.942 8.225 65 HA SER 13 HA SER 13 -12.704 3.162 7.273 66 1HB SER 13 2HB SER 13 -11.314 4.932 8.244 67 2HB SER 13 1HB SER 13 -12.118 3.976 9.497 68 HG SER 13 HG SER 13 -10.178 2.649 9.515 69 H HIS 14 H HIS 14 -11.407 0.962 6.241 70 HA HIS 14 HA HIS 14 -9.136 2.027 4.655 71 1HB HIS 14 2HB HIS 14 -9.923 -0.804 5.441 72 2HB HIS 14 1HB HIS 14 -8.551 -0.384 4.460 73 HD1 HIS 14 1HD HIS 14 -9.537 -0.687 7.860 74 HD2 HIS 14 2HD HIS 14 -6.538 1.256 5.909 75 HE1 HIS 14 1HE HIS 14 -7.862 -0.092 9.588 76 H VAL 15 H VAL 15 -11.098 -0.806 3.967 77 HA VAL 15 HA VAL 15 -12.342 0.549 1.617 78 HB VAL 15 HB VAL 15 -11.013 -2.178 1.630 79 1HG1 VAL 15 1HG1 VAL 15 -13.098 -2.223 0.243 80 2HG1 VAL 15 2HG1 VAL 15 -11.684 -2.317 -0.780 81 3HG1 VAL 15 3HG1 VAL 15 -12.560 -0.802 -0.630 82 1HG2 VAL 15 1HG2 VAL 15 -9.601 -1.219 -0.119 83 2HG2 VAL 15 2HG2 VAL 15 -9.434 -0.316 1.384 84 3HG2 VAL 15 3HG2 VAL 15 -10.394 0.340 0.062 85 H CYS 16 H CYS 16 -14.434 0.490 1.977 86 HA CYS 16 HA CYS 16 -15.704 -1.621 3.552 87 1HB CYS 16 2HB CYS 16 -17.698 -0.284 3.147 88 2HB CYS 16 1HB CYS 16 -16.395 0.799 3.542 89 H ASN 17 H ASN 17 -14.961 -3.459 2.146 90 HA ASN 17 HA ASN 17 -15.901 -3.381 -0.654 91 1HB ASN 17 2HB ASN 17 -13.770 -4.229 -0.344 92 2HB ASN 17 1HB ASN 17 -14.145 -5.203 1.025 93 1HD2 ASN 17 1HD2 ASN 17 -14.398 -7.402 0.421 94 2HD2 ASN 17 2HD2 ASN 17 -14.800 -7.954 -1.129 95 H ASP 18 H ASP 18 -17.835 -3.184 -0.359 96 HA ASP 18 HA ASP 18 -19.773 -4.283 1.252 97 1HB ASP 18 2HB ASP 18 -20.124 -2.356 -0.217 98 2HB ASP 18 1HB ASP 18 -20.053 -3.386 -1.636 99 H LEU 19 H LEU 19 -19.249 -6.448 1.544 100 HA LEU 19 HA LEU 19 -19.472 -8.479 -0.409 101 1HB LEU 19 2HB LEU 19 -18.335 -8.394 1.963 102 2HB LEU 19 1HB LEU 19 -19.944 -8.624 2.579 103 HG LEU 19 HG LEU 19 -20.172 -10.784 1.406 104 1HD1 LEU 19 1HD1 LEU 19 -17.274 -10.216 0.697 105 2HD1 LEU 19 2HD1 LEU 19 -18.585 -10.235 -0.464 106 3HD1 LEU 19 3HD1 LEU 19 -18.126 -11.719 0.348 107 1HD2 LEU 19 1HD2 LEU 19 -18.599 -11.973 2.897 108 2HD2 LEU 19 2HD2 LEU 19 -19.361 -10.624 3.709 109 3HD2 LEU 19 3HD2 LEU 19 -17.705 -10.477 3.153 110 H LYS 20 H LYS 20 -21.221 -10.259 -0.052 111 HA LYS 20 HA LYS 20 -23.813 -9.011 -0.415 112 1HB LYS 20 2HB LYS 20 -24.605 -11.360 -0.675 113 2HB LYS 20 1HB LYS 20 -23.151 -11.070 -1.607 114 1HG LYS 20 2HG LYS 20 -21.788 -12.178 0.197 115 2HG LYS 20 1HG LYS 20 -23.258 -12.486 1.101 116 1HD LYS 20 2HD LYS 20 -22.633 -14.501 -0.098 117 2HD LYS 20 1HD LYS 20 -24.144 -13.881 -0.728 118 1HE LYS 20 2HE LYS 20 -22.930 -12.876 -2.669 119 2HE LYS 20 1HE LYS 20 -21.407 -13.463 -2.016 120 1HZ LYS 20 1HZ LYS 20 -23.693 -15.038 -3.022 121 2HZ LYS 20 2HZ LYS 20 -22.438 -15.728 -2.108 122 3HZ LYS 20 3HZ LYS 20 -22.098 -15.003 -3.606 123 H ILE 21 H ILE 21 -22.257 -10.981 2.088 124 HA ILE 21 HA ILE 21 -23.917 -9.804 4.199 125 HB ILE 21 HB ILE 21 -23.587 -12.785 3.658 126 1HG1 ILE 21 2HG1 ILE 21 -26.111 -11.055 3.655 127 2HG1 ILE 21 1HG1 ILE 21 -25.349 -11.748 2.237 128 1HG2 ILE 21 1HG2 ILE 21 -24.950 -13.086 5.739 129 2HG2 ILE 21 2HG2 ILE 21 -24.946 -11.339 5.968 130 3HG2 ILE 21 3HG2 ILE 21 -23.446 -12.253 6.068 131 1HD1 ILE 21 1HD1 ILE 21 -25.789 -14.028 3.058 132 2HD1 ILE 21 2HD1 ILE 21 -27.273 -13.103 2.898 133 3HD1 ILE 21 3HD1 ILE 21 -26.584 -13.378 4.483 134 H GLY 22 H GLY 22 -22.359 -9.009 5.537 135 1HA GLY 22 2HA GLY 22 -20.687 -9.206 7.166 136 2HA GLY 22 1HA GLY 22 -20.182 -10.691 6.406 137 H TYR 23 H TYR 23 -20.605 -7.449 5.312 138 HA TYR 23 HA TYR 23 -18.823 -6.928 3.359 139 1HB TYR 23 2HB TYR 23 -19.018 -4.991 5.650 140 2HB TYR 23 1HB TYR 23 -18.831 -4.642 3.944 141 HD1 TYR 23 1HD TYR 23 -21.192 -4.918 6.512 142 HD2 TYR 23 2HD TYR 23 -20.767 -5.643 2.356 143 HE1 TYR 23 1HE TYR 23 -23.634 -4.874 6.255 144 HE2 TYR 23 2HE TYR 23 -23.197 -5.598 2.089 145 HH TYR 23 HH TYR 23 -25.259 -6.127 4.072 146 H GLU 24 H GLU 24 -16.764 -6.105 3.100 147 HA GLU 24 HA GLU 24 -14.803 -7.005 5.120 148 1HB GLU 24 2HB GLU 24 -14.612 -6.674 2.150 149 2HB GLU 24 1HB GLU 24 -13.301 -7.192 3.175 150 1HG GLU 24 2HG GLU 24 -14.845 -9.052 3.950 151 2HG GLU 24 1HG GLU 24 -15.994 -8.469 2.742 152 H CYS 25 H CYS 25 -12.748 -6.114 5.057 153 HA CYS 25 HA CYS 25 -12.585 -3.229 4.788 154 1HB CYS 25 2HB CYS 25 -12.806 -3.809 7.173 155 2HB CYS 25 1HB CYS 25 -11.505 -4.973 7.029 156 H LEU 26 H LEU 26 -11.629 -3.837 2.658 157 HA LEU 26 HA LEU 26 -9.083 -5.284 2.676 158 1HB LEU 26 2HB LEU 26 -10.244 -3.756 0.340 159 2HB LEU 26 1HB LEU 26 -9.188 -5.122 0.350 160 HG LEU 26 HG LEU 26 -12.075 -5.276 1.204 161 1HD1 LEU 26 1HD1 LEU 26 -12.352 -6.636 -0.871 162 2HD1 LEU 26 2HD1 LEU 26 -10.692 -6.311 -1.305 163 3HD1 LEU 26 3HD1 LEU 26 -11.852 -4.995 -1.234 164 1HD2 LEU 26 1HD2 LEU 26 -10.721 -6.914 2.442 165 2HD2 LEU 26 2HD2 LEU 26 -10.040 -7.512 0.933 166 3HD2 LEU 26 3HD2 LEU 26 -11.754 -7.709 1.269 167 H CYS 27 H CYS 27 -7.563 -4.089 0.962 168 HA CYS 27 HA CYS 27 -6.469 -1.816 2.366 169 1HB CYS 27 2HB CYS 27 -5.515 -3.403 0.003 170 2HB CYS 27 1HB CYS 27 -4.605 -2.108 0.740 171 HA PRO 28 HA PRO 28 -8.159 1.253 -0.415 172 1HB PRO 28 2HB PRO 28 -6.889 3.409 0.686 173 2HB PRO 28 1HB PRO 28 -8.266 2.634 1.396 174 1HG PRO 28 2HG PRO 28 -5.423 2.415 2.173 175 2HG PRO 28 1HG PRO 28 -6.875 2.409 3.177 176 1HD PRO 28 2HD PRO 28 -5.446 0.168 2.451 177 2HD PRO 28 1HD PRO 28 -7.128 0.176 3.003 178 H ASP 29 H ASP 29 -4.855 1.677 0.560 179 HA ASP 29 HA ASP 29 -3.974 2.767 -1.989 180 1HB ASP 29 2HB ASP 29 -1.828 2.975 -0.869 181 2HB ASP 29 1HB ASP 29 -3.071 3.471 0.248 182 H GLY 30 H GLY 30 -1.601 1.786 -2.470 183 1HA GLY 30 2HA GLY 30 -2.000 -0.482 -4.020 184 2HA GLY 30 1HA GLY 30 -0.438 0.186 -3.626 185 H PHE 31 H PHE 31 -0.336 -0.270 -0.894 186 HA PHE 31 HA PHE 31 0.761 -2.805 -0.664 187 1HB PHE 31 2HB PHE 31 -0.573 -1.110 1.433 188 2HB PHE 31 1HB PHE 31 0.493 -2.438 1.755 189 HD1 PHE 31 1HD PHE 31 1.616 -0.295 2.901 190 HD2 PHE 31 2HD PHE 31 1.678 -0.997 -1.323 191 HE1 PHE 31 1HE PHE 31 3.545 1.121 2.654 192 HE2 PHE 31 2HE PHE 31 3.584 0.435 -1.551 193 HZ PHE 31 HZ PHE 31 4.550 1.498 0.393 194 H GLN 32 H GLN 32 0.283 -4.493 0.890 195 HA GLN 32 HA GLN 32 -2.303 -5.759 0.237 196 1HB GLN 32 2HB GLN 32 0.312 -6.842 1.343 197 2HB GLN 32 1HB GLN 32 -1.099 -7.807 1.018 198 1HG GLN 32 2HG GLN 32 0.480 -7.996 -0.871 199 2HG GLN 32 1HG GLN 32 -0.964 -7.161 -1.413 200 1HE2 GLN 32 1HE2 GLN 32 -0.578 -5.267 -2.548 201 2HE2 GLN 32 2HE2 GLN 32 0.845 -4.346 -2.457 202 H LEU 33 H LEU 33 -3.470 -6.906 1.882 203 HA LEU 33 HA LEU 33 -3.555 -5.433 4.435 204 1HB LEU 33 2HB LEU 33 -5.634 -6.259 3.057 205 2HB LEU 33 1HB LEU 33 -5.244 -7.857 3.635 206 HG LEU 33 HG LEU 33 -5.287 -6.801 6.027 207 1HD1 LEU 33 1HD1 LEU 33 -5.218 -4.449 5.321 208 2HD1 LEU 33 2HD1 LEU 33 -6.690 -4.746 6.220 209 3HD1 LEU 33 3HD1 LEU 33 -6.744 -4.637 4.472 210 1HD2 LEU 33 1HD2 LEU 33 -7.709 -7.020 6.248 211 2HD2 LEU 33 2HD2 LEU 33 -7.037 -8.323 5.280 212 3HD2 LEU 33 3HD2 LEU 33 -7.891 -6.992 4.499 213 H VAL 34 H VAL 34 -1.223 -6.405 4.638 214 HA VAL 34 HA VAL 34 -1.091 -9.170 5.547 215 HB VAL 34 HB VAL 34 0.732 -8.197 4.277 216 1HG1 VAL 34 1HG1 VAL 34 2.188 -6.481 5.240 217 2HG1 VAL 34 2HG1 VAL 34 1.124 -6.330 6.632 218 3HG1 VAL 34 3HG1 VAL 34 0.551 -5.873 5.032 219 1HG2 VAL 34 1HG2 VAL 34 1.573 -8.841 7.139 220 2HG2 VAL 34 2HG2 VAL 34 2.625 -8.868 5.735 221 3HG2 VAL 34 3HG2 VAL 34 1.298 -10.009 5.857 222 H ALA 35 H ALA 35 -0.886 -6.018 7.131 223 HA ALA 35 HA ALA 35 -0.525 -7.201 9.712 224 1HB ALA 35 1HB ALA 35 0.608 -5.125 9.168 225 2HB ALA 35 2HB ALA 35 -0.503 -4.818 10.492 226 3HB ALA 35 3HB ALA 35 -0.909 -4.311 8.863 227 H GLN 36 H GLN 36 -2.740 -8.286 8.902 228 HA GLN 36 HA GLN 36 -4.868 -8.862 9.430 229 1HB GLN 36 2HB GLN 36 -4.521 -6.900 11.744 230 2HB GLN 36 1HB GLN 36 -5.805 -8.072 11.594 231 1HG GLN 36 2HG GLN 36 -4.082 -9.008 13.056 232 2HG GLN 36 1HG GLN 36 -4.101 -9.918 11.552 233 1HE2 GLN 36 1HE2 GLN 36 -2.131 -10.135 10.481 234 2HE2 GLN 36 2HE2 GLN 36 -0.739 -9.234 10.841 235 H ARG 37 H ARG 37 -5.070 -5.451 10.405 236 HA ARG 37 HA ARG 37 -7.300 -5.077 8.429 237 1HB ARG 37 2HB ARG 37 -6.925 -3.661 11.101 238 2HB ARG 37 1HB ARG 37 -8.301 -3.508 10.027 239 1HG ARG 37 2HG ARG 37 -7.491 -6.037 11.527 240 2HG ARG 37 1HG ARG 37 -8.818 -4.978 11.942 241 1HD ARG 37 2HD ARG 37 -9.929 -5.523 9.754 242 2HD ARG 37 1HD ARG 37 -8.596 -6.607 9.374 243 HE ARG 37 HE ARG 37 -9.462 -8.177 10.859 244 1HH1 ARG 37 2HH1 ARG 37 -10.908 -5.075 11.419 245 2HH1 ARG 37 1HH1 ARG 37 -12.074 -5.696 12.539 246 1HH2 ARG 37 1HH2 ARG 37 -10.924 -8.981 12.275 247 2HH2 ARG 37 2HH2 ARG 37 -12.083 -7.939 13.033 248 H ARG 38 H ARG 38 -4.244 -4.288 9.311 249 HA ARG 38 HA ARG 38 -4.249 -1.585 8.050 250 1HB ARG 38 2HB ARG 38 -3.273 -1.686 10.320 251 2HB ARG 38 1HB ARG 38 -2.189 -2.970 9.839 252 1HG ARG 38 2HG ARG 38 -1.142 -1.407 8.154 253 2HG ARG 38 1HG ARG 38 -2.227 -0.135 8.690 254 1HD ARG 38 2HD ARG 38 -1.234 -0.253 10.970 255 2HD ARG 38 1HD ARG 38 -0.170 -1.559 10.433 256 HE ARG 38 HE ARG 38 0.062 0.759 8.722 257 1HH1 ARG 38 2HH1 ARG 38 0.994 -0.562 11.788 258 2HH1 ARG 38 1HH1 ARG 38 2.444 0.380 11.882 259 1HH2 ARG 38 1HH2 ARG 38 1.891 1.959 8.817 260 2HH2 ARG 38 2HH2 ARG 38 2.961 1.830 10.173 261 H CYS 39 H CYS 39 -3.270 -1.327 6.174 262 HA CYS 39 HA CYS 39 -2.175 -3.704 4.837 263 1HB CYS 39 2HB CYS 39 -3.033 -1.022 3.776 264 2HB CYS 39 1HB CYS 39 -2.500 -2.367 2.787 265 H GLU 40 H GLU 40 -0.151 -4.021 4.325 266 HA GLU 40 HA GLU 40 1.729 -1.727 4.178 267 1HB GLU 40 2HB GLU 40 1.882 -2.794 6.455 268 2HB GLU 40 1HB GLU 40 2.337 -4.300 5.680 269 1HG GLU 40 2HG GLU 40 4.308 -3.188 4.631 270 2HG GLU 40 1HG GLU 40 3.841 -1.667 5.356 271 H ASP 41 H ASP 41 3.629 -2.240 3.072 272 HA ASP 41 HA ASP 41 3.265 -4.031 0.766 273 1HB ASP 41 2HB ASP 41 3.891 -1.727 0.411 274 2HB ASP 41 1HB ASP 41 5.298 -1.871 1.422 275 H ILE 42 H ILE 42 5.257 -5.057 -0.048 276 HA ILE 42 HA ILE 42 6.196 -6.973 1.792 277 HB ILE 42 HB ILE 42 6.189 -7.352 -0.699 278 1HG1 ILE 42 2HG1 ILE 42 9.005 -7.518 0.494 279 2HG1 ILE 42 1HG1 ILE 42 7.737 -8.699 0.751 280 1HG2 ILE 42 1HG2 ILE 42 6.868 -5.053 -1.392 281 2HG2 ILE 42 2HG2 ILE 42 7.904 -6.240 -2.139 282 3HG2 ILE 42 3HG2 ILE 42 8.480 -5.328 -0.760 283 1HD1 ILE 42 1HD1 ILE 42 9.303 -9.453 -0.996 284 2HD1 ILE 42 2HD1 ILE 42 8.992 -8.016 -1.948 285 3HD1 ILE 42 3HD1 ILE 42 7.711 -9.191 -1.691 286 H ASP 43 H ASP 43 8.437 -7.089 2.723 287 HA ASP 43 HA ASP 43 9.533 -4.352 3.247 288 1HB ASP 43 2HB ASP 43 8.783 -5.872 5.133 289 2HB ASP 43 1HB ASP 43 10.101 -6.951 4.717 290 H GLU 44 H GLU 44 11.094 -3.762 2.008 291 HA GLU 44 HA GLU 44 12.733 -5.555 0.470 292 1HB GLU 44 2HB GLU 44 13.198 -2.617 1.050 293 2HB GLU 44 1HB GLU 44 13.875 -3.543 -0.266 294 1HG GLU 44 2HG GLU 44 12.122 -2.200 -1.086 295 2HG GLU 44 1HG GLU 44 11.581 -3.860 -1.218 296 H CYS 45 H CYS 45 13.058 -3.947 3.572 297 HA CYS 45 HA CYS 45 15.858 -4.082 3.781 298 1HB CYS 45 2HB CYS 45 13.754 -4.058 5.974 299 2HB CYS 45 1HB CYS 45 15.432 -3.896 6.225 300 H GLN 46 H GLN 46 13.522 -5.880 5.519 301 HA GLN 46 HA GLN 46 14.960 -7.909 6.671 302 1HB GLN 46 2HB GLN 46 12.170 -8.070 5.453 303 2HB GLN 46 1HB GLN 46 12.807 -9.206 6.618 304 1HG GLN 46 2HG GLN 46 12.465 -6.221 7.136 305 2HG GLN 46 1HG GLN 46 11.378 -7.470 7.719 306 1HE2 GLN 46 1HE2 GLN 46 14.432 -5.875 8.236 307 2HE2 GLN 46 2HE2 GLN 46 14.865 -6.720 9.644 308 H ASP 47 H ASP 47 13.553 -7.940 3.460 309 HA ASP 47 HA ASP 47 14.618 -10.491 2.764 310 1HB ASP 47 2HB ASP 47 12.482 -9.694 1.796 311 2HB ASP 47 1HB ASP 47 13.298 -8.312 1.090 312 HA PRO 48 HA PRO 48 18.562 -8.776 1.481 313 1HB PRO 48 2HB PRO 48 19.442 -10.738 -0.235 314 2HB PRO 48 1HB PRO 48 19.419 -10.962 1.497 315 1HG PRO 48 2HG PRO 48 17.398 -11.874 -0.516 316 2HG PRO 48 1HG PRO 48 18.102 -12.763 0.848 317 1HD PRO 48 2HD PRO 48 15.664 -11.654 0.984 318 2HD PRO 48 1HD PRO 48 16.732 -11.737 2.394 319 H ASP 49 H ASP 49 17.547 -7.031 0.478 320 HA ASP 49 HA ASP 49 17.653 -7.059 -2.482 321 1HB ASP 49 2HB ASP 49 15.292 -7.388 -1.896 322 2HB ASP 49 1HB ASP 49 15.351 -6.038 -0.779 323 H THR 50 H THR 50 17.584 -5.163 0.481 324 HA THR 50 HA THR 50 18.288 -2.684 -0.825 325 HB THR 50 HB THR 50 18.455 -1.924 1.630 326 HG1 THR 50 1HG THR 50 17.620 -4.595 2.054 327 1HG2 THR 50 1HG2 THR 50 16.258 -1.968 0.378 328 2HG2 THR 50 2HG2 THR 50 16.032 -2.316 2.083 329 3HG2 THR 50 3HG2 THR 50 16.015 -3.612 0.902 330 H CYS 51 H CYS 51 20.182 -3.287 1.991 331 HA CYS 51 HA CYS 51 22.634 -3.416 0.294 332 1HB CYS 51 2HB CYS 51 21.990 -2.016 2.844 333 2HB CYS 51 1HB CYS 51 23.598 -2.138 2.195 334 H SER 52 H SER 52 24.630 -3.966 1.953 335 HA SER 52 HA SER 52 24.117 -6.726 2.768 336 1HB SER 52 2HB SER 52 26.646 -5.016 2.664 337 2HB SER 52 1HB SER 52 26.605 -6.753 2.979 338 HG SER 52 HG SER 52 25.479 -6.997 1.001 339 H GLN 53 H GLN 53 23.270 -4.181 4.243 340 HA GLN 53 HA GLN 53 23.848 -5.165 6.953 341 1HB GLN 53 2HB GLN 53 24.176 -2.472 7.377 342 2HB GLN 53 1HB GLN 53 25.454 -3.579 7.182 343 1HG GLN 53 2HG GLN 53 25.675 -1.542 5.844 344 2HG GLN 53 1HG GLN 53 25.507 -2.870 4.721 345 1HE2 GLN 53 1HE2 GLN 53 25.098 -0.390 3.752 346 2HE2 GLN 53 2HE2 GLN 53 23.448 -0.093 3.487 347 H LEU 54 H LEU 54 22.909 -3.045 8.353 348 HA LEU 54 HA LEU 54 20.187 -3.623 8.536 349 1HB LEU 54 2HB LEU 54 21.702 -1.152 9.360 350 2HB LEU 54 1HB LEU 54 20.033 -1.412 9.783 351 HG LEU 54 HG LEU 54 22.446 -2.994 10.697 352 1HD1 LEU 54 1HD1 LEU 54 21.597 -2.134 12.886 353 2HD1 LEU 54 2HD1 LEU 54 20.260 -1.362 12.047 354 3HD1 LEU 54 3HD1 LEU 54 21.896 -0.793 11.778 355 1HD2 LEU 54 1HD2 LEU 54 20.516 -4.545 10.272 356 2HD2 LEU 54 2HD2 LEU 54 19.497 -3.496 11.251 357 3HD2 LEU 54 3HD2 LEU 54 20.850 -4.357 11.984 358 H CYS 55 H CYS 55 18.501 -2.140 8.562 359 HA CYS 55 HA CYS 55 18.325 -0.091 6.478 360 1HB CYS 55 2HB CYS 55 18.317 -2.080 5.100 361 2HB CYS 55 1HB CYS 55 17.137 -2.862 6.044 362 H VAL 56 H VAL 56 15.916 0.439 6.106 363 HA VAL 56 HA VAL 56 14.196 0.092 8.467 364 HB VAL 56 HB VAL 56 15.606 1.995 9.119 365 1HG1 VAL 56 1HG1 VAL 56 15.740 4.091 7.818 366 2HG1 VAL 56 2HG1 VAL 56 14.822 3.388 6.509 367 3HG1 VAL 56 3HG1 VAL 56 16.410 2.756 6.905 368 1HG2 VAL 56 1HG2 VAL 56 13.874 3.754 9.409 369 2HG2 VAL 56 2HG2 VAL 56 13.234 2.152 9.734 370 3HG2 VAL 56 3HG2 VAL 56 12.862 2.957 8.217 371 H ASN 57 H ASN 57 12.589 -0.718 7.447 372 HA ASN 57 HA ASN 57 11.683 0.127 4.800 373 1HB ASN 57 2HB ASN 57 11.778 -2.265 5.446 374 2HB ASN 57 1HB ASN 57 10.606 -1.951 6.715 375 1HD2 ASN 57 1HD2 ASN 57 8.824 -3.132 6.004 376 2HD2 ASN 57 2HD2 ASN 57 8.064 -2.894 4.506 377 H LEU 58 H LEU 58 9.557 0.468 4.330 378 HA LEU 58 HA LEU 58 7.400 1.297 6.000 379 1HB LEU 58 2HB LEU 58 7.424 3.735 5.701 380 2HB LEU 58 1HB LEU 58 8.836 3.241 6.567 381 HG LEU 58 HG LEU 58 8.932 3.837 3.581 382 1HD1 LEU 58 1HD1 LEU 58 9.603 5.640 5.969 383 2HD1 LEU 58 2HD1 LEU 58 8.226 5.863 4.905 384 3HD1 LEU 58 3HD1 LEU 58 9.853 6.045 4.279 385 1HD2 LEU 58 1HD2 LEU 58 10.801 2.486 4.523 386 2HD2 LEU 58 2HD2 LEU 58 11.039 3.690 5.780 387 3HD2 LEU 58 3HD2 LEU 58 11.345 4.093 4.105 388 H GLU 59 H GLU 59 6.541 3.324 4.236 389 HA GLU 59 HA GLU 59 5.385 1.647 2.212 390 1HB GLU 59 2HB GLU 59 4.198 3.664 3.391 391 2HB GLU 59 1HB GLU 59 5.213 4.724 2.452 392 1HG GLU 59 2HG GLU 59 4.002 3.676 0.295 393 2HG GLU 59 1HG GLU 59 2.894 2.982 1.440 394 H GLY 60 H GLY 60 7.153 0.899 1.227 395 1HA GLY 60 2HA GLY 60 8.596 0.650 -0.517 396 2HA GLY 60 1HA GLY 60 7.615 1.864 -1.317 397 H GLY 61 H GLY 61 8.608 3.295 1.388 398 1HA GLY 61 2HA GLY 61 10.731 4.839 0.046 399 2HA GLY 61 1HA GLY 61 9.997 5.202 1.604 400 H TYR 62 H TYR 62 10.868 2.087 1.608 401 HA TYR 62 HA TYR 62 12.603 1.950 3.678 402 1HB TYR 62 2HB TYR 62 13.421 -0.199 2.846 403 2HB TYR 62 1HB TYR 62 11.735 -0.014 2.383 404 HD1 TYR 62 1HD TYR 62 11.182 0.634 -0.027 405 HD2 TYR 62 2HD TYR 62 15.158 -0.192 1.231 406 HE1 TYR 62 1HE TYR 62 11.895 0.452 -2.361 407 HE2 TYR 62 2HE TYR 62 15.875 -0.377 -1.089 408 HH TYR 62 HH TYR 62 14.372 -1.021 -3.421 409 H LYS 63 H LYS 63 14.729 2.302 4.242 410 HA LYS 63 HA LYS 63 16.641 3.025 2.106 411 1HB LYS 63 2HB LYS 63 16.307 4.331 4.785 412 2HB LYS 63 1HB LYS 63 17.515 4.679 3.628 413 1HG LYS 63 2HG LYS 63 14.531 5.143 3.216 414 2HG LYS 63 1HG LYS 63 15.687 6.397 3.573 415 1HD LYS 63 2HD LYS 63 15.700 4.715 1.021 416 2HD LYS 63 1HD LYS 63 15.137 6.362 1.158 417 1HE LYS 63 2HE LYS 63 17.421 7.099 1.814 418 2HE LYS 63 1HE LYS 63 17.998 5.441 1.686 419 1HZ LYS 63 1HZ LYS 63 18.456 6.723 -0.295 420 2HZ LYS 63 2HZ LYS 63 16.795 6.994 -0.524 421 3HZ LYS 63 3HZ LYS 63 17.420 5.418 -0.623 422 H CYS 64 H CYS 64 18.749 2.731 2.664 423 HA CYS 64 HA CYS 64 19.273 0.384 4.327 424 1HB CYS 64 2HB CYS 64 21.064 2.141 2.653 425 2HB CYS 64 1HB CYS 64 21.619 0.745 3.507 426 H GLN 65 H GLN 65 21.152 0.363 5.693 427 HA GLN 65 HA GLN 65 21.909 2.754 7.317 428 1HB GLN 65 2HB GLN 65 20.577 0.272 8.427 429 2HB GLN 65 1HB GLN 65 21.262 1.553 9.410 430 1HG GLN 65 2HG GLN 65 19.582 3.136 8.390 431 2HG GLN 65 1HG GLN 65 18.881 1.788 7.506 432 1HE2 GLN 65 1HE2 GLN 65 17.822 3.537 9.785 433 2HE2 GLN 65 2HE2 GLN 65 17.257 2.416 10.928 434 H CYS 66 H CYS 66 23.046 0.960 9.284 435 HA CYS 66 HA CYS 66 25.065 -0.492 7.690 436 1HB CYS 66 2HB CYS 66 25.661 1.205 10.036 437 2HB CYS 66 1HB CYS 66 26.716 0.297 9.124 438 H GLU 67 H GLU 67 26.017 -2.106 8.665 439 HA GLU 67 HA GLU 67 24.612 -3.401 10.928 440 1HB GLU 67 2HB GLU 67 25.170 -4.660 8.853 441 2HB GLU 67 1HB GLU 67 26.873 -4.350 9.109 442 1HG GLU 67 2HG GLU 67 26.712 -5.730 11.245 443 2HG GLU 67 1HG GLU 67 25.017 -6.002 10.883 444 H GLU 68 H GLU 68 25.685 -1.165 11.746 445 HA GLU 68 HA GLU 68 26.965 -0.163 13.345 446 1HB GLU 68 2HB GLU 68 27.679 -3.059 14.014 447 2HB GLU 68 1HB GLU 68 28.144 -1.701 14.990 448 1HG GLU 68 2HG GLU 68 26.067 -2.751 15.869 449 2HG GLU 68 1HG GLU 68 25.707 -1.132 15.308 450 H GLY 69 H GLY 69 29.163 -2.812 12.690 451 1HA GLY 69 2HA GLY 69 31.518 -1.317 12.708 452 2HA GLY 69 1HA GLY 69 31.364 -2.927 12.039 453 H PHE 70 H PHE 70 29.211 -1.532 10.219 454 HA PHE 70 HA PHE 70 30.979 -1.243 8.025 455 1HB PHE 70 2HB PHE 70 28.032 -0.798 8.339 456 2HB PHE 70 1HB PHE 70 28.833 -0.592 6.807 457 HD1 PHE 70 1HD PHE 70 29.783 -3.334 9.101 458 HD2 PHE 70 2HD PHE 70 27.490 -2.208 5.735 459 HE1 PHE 70 1HE PHE 70 29.420 -5.705 8.588 460 HE2 PHE 70 2HE PHE 70 27.107 -4.576 5.201 461 HZ PHE 70 HZ PHE 70 28.074 -6.336 6.626 462 H GLN 71 H GLN 71 31.096 0.590 6.579 463 HA GLN 71 HA GLN 71 30.669 3.218 7.802 464 1HB GLN 71 2HB GLN 71 33.131 1.993 6.599 465 2HB GLN 71 1HB GLN 71 32.889 3.680 6.334 466 1HG GLN 71 2HG GLN 71 32.885 2.371 9.097 467 2HG GLN 71 1HG GLN 71 34.246 3.261 8.412 468 1HE2 GLN 71 1HE2 GLN 71 33.088 4.230 10.764 469 2HE2 GLN 71 2HE2 GLN 71 32.231 5.661 10.447 470 H LEU 72 H LEU 72 31.061 4.898 6.222 471 HA LEU 72 HA LEU 72 29.143 4.428 4.048 472 1HB LEU 72 2HB LEU 72 29.110 6.540 5.321 473 2HB LEU 72 1HB LEU 72 30.702 6.945 4.712 474 HG LEU 72 HG LEU 72 29.780 6.828 2.350 475 1HD1 LEU 72 1HD1 LEU 72 27.332 6.835 2.005 476 2HD1 LEU 72 2HD1 LEU 72 27.077 6.558 3.719 477 3HD1 LEU 72 3HD1 LEU 72 27.844 5.328 2.728 478 1HD2 LEU 72 1HD2 LEU 72 29.937 8.998 3.544 479 2HD2 LEU 72 2HD2 LEU 72 28.336 8.747 4.228 480 3HD2 LEU 72 3HD2 LEU 72 28.528 8.977 2.495 481 H ASP 73 H ASP 73 29.889 3.278 2.459 482 HA ASP 73 HA ASP 73 32.557 3.532 1.308 483 1HB ASP 73 2HB ASP 73 31.355 1.362 1.268 484 2HB ASP 73 1HB ASP 73 30.084 2.058 0.285 485 HA PRO 74 HA PRO 74 31.042 6.988 -1.201 486 1HB PRO 74 2HB PRO 74 33.363 7.684 -2.392 487 2HB PRO 74 1HB PRO 74 33.085 8.013 -0.698 488 1HG PRO 74 2HG PRO 74 34.574 5.717 -1.909 489 2HG PRO 74 1HG PRO 74 35.043 6.785 -0.574 490 1HD PRO 74 2HD PRO 74 34.001 4.340 -0.143 491 2HD PRO 74 1HD PRO 74 33.701 5.699 0.954 492 H HIS 75 H HIS 75 30.995 7.510 -3.471 493 HA HIS 75 HA HIS 75 30.521 7.032 -5.701 494 1HB HIS 75 2HB HIS 75 32.575 4.801 -5.318 495 2HB HIS 75 1HB HIS 75 32.001 5.424 -6.858 496 HD1 HIS 75 1HD HIS 75 34.061 6.472 -3.950 497 HD2 HIS 75 2HD HIS 75 33.122 7.882 -7.664 498 HE1 HIS 75 1HE HIS 75 35.566 8.382 -4.368 499 H THR 76 H THR 76 29.643 5.156 -3.292 500 HA THR 76 HA THR 76 27.819 3.460 -4.925 501 HB THR 76 HB THR 76 28.206 1.574 -3.262 502 HG1 THR 76 1HG THR 76 30.289 3.295 -2.418 503 1HG2 THR 76 1HG2 THR 76 30.517 0.945 -3.968 504 2HG2 THR 76 2HG2 THR 76 30.872 2.602 -4.421 505 3HG2 THR 76 3HG2 THR 76 29.723 1.663 -5.360 506 H LYS 77 H LYS 77 28.653 4.836 -1.923 507 HA LYS 77 HA LYS 77 27.483 5.895 -0.207 508 1HB LYS 77 2HB LYS 77 25.174 5.517 -1.955 509 2HB LYS 77 1HB LYS 77 25.178 6.492 -0.509 510 1HG LYS 77 2HG LYS 77 26.980 7.924 -1.485 511 2HG LYS 77 1HG LYS 77 26.995 6.947 -2.933 512 1HD LYS 77 2HD LYS 77 25.778 8.998 -3.386 513 2HD LYS 77 1HD LYS 77 24.667 7.653 -3.449 514 1HE LYS 77 2HE LYS 77 24.970 9.516 -1.055 515 2HE LYS 77 1HE LYS 77 23.714 9.652 -2.272 516 1HZ LYS 77 1HZ LYS 77 22.555 8.369 -0.924 517 2HZ LYS 77 2HZ LYS 77 23.918 7.871 -0.043 518 3HZ LYS 77 3HZ LYS 77 23.506 7.082 -1.492 519 H ALA 78 H ALA 78 27.067 2.782 -1.124 520 HA ALA 78 HA ALA 78 25.010 1.924 0.789 521 1HB ALA 78 1HB ALA 78 25.442 0.674 -1.342 522 2HB ALA 78 2HB ALA 78 25.690 -0.355 0.062 523 3HB ALA 78 3HB ALA 78 27.072 0.323 -0.787 524 H CYS 79 H CYS 79 25.472 1.065 2.872 525 HA CYS 79 HA CYS 79 28.185 1.714 3.841 526 1HB CYS 79 2HB CYS 79 25.895 1.979 5.181 527 2HB CYS 79 1HB CYS 79 26.129 0.286 5.494 528 H LYS 80 H LYS 80 29.627 0.157 4.580 529 HA LYS 80 HA LYS 80 28.959 -2.724 4.326 530 1HB LYS 80 2HB LYS 80 30.762 -3.220 3.040 531 2HB LYS 80 1HB LYS 80 29.620 -2.261 2.099 532 1HG LYS 80 2HG LYS 80 31.059 -0.197 2.622 533 2HG LYS 80 1HG LYS 80 32.273 -1.266 3.287 534 1HD LYS 80 2HD LYS 80 31.274 -1.351 0.419 535 2HD LYS 80 1HD LYS 80 32.794 -0.655 0.941 536 1HE LYS 80 2HE LYS 80 33.532 -2.896 1.766 537 2HE LYS 80 1HE LYS 80 32.013 -3.592 1.214 538 1HZ LYS 80 1HZ LYS 80 34.070 -2.292 -0.462 539 2HZ LYS 80 2HZ LYS 80 32.555 -2.805 -1.027 540 3HZ LYS 80 3HZ LYS 80 33.665 -3.942 -0.427 541 H ALA 81 H ALA 81 30.533 -4.044 5.416 542 HA ALA 81 HA ALA 81 31.650 -3.316 7.798 543 1HB ALA 81 1HB ALA 81 33.193 -5.248 7.554 544 2HB ALA 81 2HB ALA 81 32.850 -5.295 5.832 545 3HB ALA 81 3HB ALA 81 31.576 -5.636 6.990 546 H VAL 82 H VAL 82 32.970 -1.759 8.380 547 HA VAL 82 HA VAL 82 34.587 -0.161 6.844 548 HB VAL 82 HB VAL 82 34.009 0.281 9.208 549 1HG1 VAL 82 1HG1 VAL 82 34.368 -2.027 10.127 550 2HG1 VAL 82 2HG1 VAL 82 35.257 -0.830 11.049 551 3HG1 VAL 82 3HG1 VAL 82 36.092 -1.851 9.892 552 1HG2 VAL 82 1HG2 VAL 82 37.017 0.290 8.741 553 2HG2 VAL 82 2HG2 VAL 82 36.168 1.237 9.949 554 3HG2 VAL 82 3HG2 VAL 82 35.893 1.543 8.244 Start of MODEL 16 1 H GLY 1 H GLY 1 -24.024 -1.757 -0.042 2 1HA GLY 1 2HA GLY 1 -26.722 -1.164 -0.108 3 2HA GLY 1 1HA GLY 1 -26.580 -2.301 1.235 4 H THR 2 H THR 2 -25.540 -1.685 3.076 5 HA THR 2 HA THR 2 -25.689 0.906 4.011 6 HB THR 2 HB THR 2 -23.755 -1.258 4.971 7 HG1 THR 2 1HG THR 2 -26.469 -0.582 5.488 8 1HG2 THR 2 1HG2 THR 2 -24.017 -0.247 7.197 9 2HG2 THR 2 2HG2 THR 2 -25.074 1.000 6.550 10 3HG2 THR 2 3HG2 THR 2 -23.370 0.969 6.124 11 H ASN 3 H ASN 3 -23.970 2.301 4.772 12 HA ASN 3 HA ASN 3 -21.763 2.589 2.791 13 1HB ASN 3 2HB ASN 3 -23.588 4.355 2.973 14 2HB ASN 3 1HB ASN 3 -23.054 4.672 4.608 15 1HD2 ASN 3 1HD2 ASN 3 -22.882 6.849 3.098 16 2HD2 ASN 3 2HD2 ASN 3 -21.296 7.171 2.586 17 H GLU 4 H GLU 4 -21.148 0.744 4.422 18 HA GLU 4 HA GLU 4 -20.262 1.357 7.046 19 1HB GLU 4 2HB GLU 4 -19.181 -0.780 6.989 20 2HB GLU 4 1HB GLU 4 -20.679 -0.950 6.132 21 1HG GLU 4 2HG GLU 4 -17.943 -0.671 4.826 22 2HG GLU 4 1HG GLU 4 -18.804 -2.168 5.044 23 H CYS 5 H CYS 5 -19.125 2.555 4.221 24 HA CYS 5 HA CYS 5 -16.327 2.473 4.513 25 1HB CYS 5 2HB CYS 5 -18.122 4.430 3.083 26 2HB CYS 5 1HB CYS 5 -16.413 4.311 2.842 27 H LEU 6 H LEU 6 -18.826 4.637 5.430 28 HA LEU 6 HA LEU 6 -17.668 6.953 6.282 29 1HB LEU 6 2HB LEU 6 -19.885 5.416 7.661 30 2HB LEU 6 1HB LEU 6 -19.573 7.126 7.847 31 HG LEU 6 HG LEU 6 -20.321 5.756 5.225 32 1HD1 LEU 6 1HD1 LEU 6 -22.476 6.965 5.521 33 2HD1 LEU 6 2HD1 LEU 6 -21.917 7.579 7.069 34 3HD1 LEU 6 3HD1 LEU 6 -22.180 5.854 6.849 35 1HD2 LEU 6 1HD2 LEU 6 -20.558 8.089 4.347 36 2HD2 LEU 6 2HD2 LEU 6 -18.911 7.823 4.870 37 3HD2 LEU 6 3HD2 LEU 6 -20.016 8.735 5.883 38 H ASP 7 H ASP 7 -18.157 4.145 8.344 39 HA ASP 7 HA ASP 7 -16.356 5.232 10.467 40 1HB ASP 7 2HB ASP 7 -18.631 4.114 10.996 41 2HB ASP 7 1HB ASP 7 -17.946 2.639 10.327 42 H ASN 8 H ASN 8 -15.377 2.745 11.278 43 HA ASN 8 HA ASN 8 -12.977 2.422 9.984 44 1HB ASN 8 2HB ASN 8 -14.647 0.360 11.220 45 2HB ASN 8 1HB ASN 8 -12.923 0.180 10.983 46 1HD2 ASN 8 1HD2 ASN 8 -11.526 1.830 12.144 47 2HD2 ASN 8 2HD2 ASN 8 -12.076 2.463 13.621 48 H ASN 9 H ASN 9 -12.605 1.924 7.886 49 HA ASN 9 HA ASN 9 -14.349 1.367 5.871 50 1HB ASN 9 2HB ASN 9 -11.948 1.907 5.639 51 2HB ASN 9 1HB ASN 9 -11.542 0.268 6.140 52 1HD2 ASN 9 1HD2 ASN 9 -12.154 -1.503 4.707 53 2HD2 ASN 9 2HD2 ASN 9 -12.394 -1.215 3.062 54 H GLY 10 H GLY 10 -15.985 -0.048 6.581 55 1HA GLY 10 2HA GLY 10 -17.108 -2.054 6.747 56 2HA GLY 10 1HA GLY 10 -15.876 -2.681 5.667 57 H GLY 11 H GLY 11 -14.545 -1.411 8.451 58 1HA GLY 11 2HA GLY 11 -14.658 -2.722 10.688 59 2HA GLY 11 1HA GLY 11 -14.088 -4.069 9.698 60 H CYS 12 H CYS 12 -12.429 -2.490 7.987 61 HA CYS 12 HA CYS 12 -10.106 -2.036 9.759 62 1HB CYS 12 2HB CYS 12 -8.842 -2.440 7.787 63 2HB CYS 12 1HB CYS 12 -10.080 -3.673 7.886 64 H SER 13 H SER 13 -9.106 -0.642 7.153 65 HA SER 13 HA SER 13 -10.449 1.898 7.031 66 1HB SER 13 2HB SER 13 -8.529 3.221 8.017 67 2HB SER 13 1HB SER 13 -9.241 2.131 9.215 68 HG SER 13 HG SER 13 -7.022 1.534 7.542 69 H HIS 14 H HIS 14 -9.720 -0.120 5.242 70 HA HIS 14 HA HIS 14 -7.643 1.098 3.508 71 1HB HIS 14 2HB HIS 14 -8.840 -1.704 3.654 72 2HB HIS 14 1HB HIS 14 -7.608 -1.218 2.530 73 HD1 HIS 14 1HD HIS 14 -8.129 -1.766 6.058 74 HD2 HIS 14 2HD HIS 14 -4.970 -1.060 3.605 75 HE1 HIS 14 1HE HIS 14 -6.088 -2.152 7.437 76 H VAL 15 H VAL 15 -9.475 -1.020 1.768 77 HA VAL 15 HA VAL 15 -11.202 1.124 0.637 78 HB VAL 15 HB VAL 15 -9.427 0.196 -0.773 79 1HG1 VAL 15 1HG1 VAL 15 -10.814 -2.484 -0.556 80 2HG1 VAL 15 2HG1 VAL 15 -9.230 -2.035 0.051 81 3HG1 VAL 15 3HG1 VAL 15 -9.534 -2.094 -1.675 82 1HG2 VAL 15 1HG2 VAL 15 -12.261 -0.604 -1.675 83 2HG2 VAL 15 2HG2 VAL 15 -10.915 -0.367 -2.774 84 3HG2 VAL 15 3HG2 VAL 15 -11.559 0.992 -1.867 85 H CYS 16 H CYS 16 -13.235 0.961 1.127 86 HA CYS 16 HA CYS 16 -14.420 -1.425 2.286 87 1HB CYS 16 2HB CYS 16 -16.402 0.044 2.421 88 2HB CYS 16 1HB CYS 16 -15.001 0.791 3.117 89 H ASN 17 H ASN 17 -14.545 -3.077 0.758 90 HA ASN 17 HA ASN 17 -15.655 -2.403 -1.915 91 1HB ASN 17 2HB ASN 17 -13.662 -3.693 -1.893 92 2HB ASN 17 1HB ASN 17 -14.238 -4.809 -0.697 93 1HD2 ASN 17 1HD2 ASN 17 -15.612 -6.523 -1.458 94 2HD2 ASN 17 2HD2 ASN 17 -15.960 -6.775 -3.096 95 H ASP 18 H ASP 18 -17.413 -1.834 -1.134 96 HA ASP 18 HA ASP 18 -19.293 -2.890 0.599 97 1HB ASP 18 2HB ASP 18 -19.427 -0.638 -0.369 98 2HB ASP 18 1HB ASP 18 -19.820 -1.307 -1.942 99 H LEU 19 H LEU 19 -19.425 -5.049 0.456 100 HA LEU 19 HA LEU 19 -20.258 -6.561 -1.793 101 1HB LEU 19 2HB LEU 19 -18.988 -7.200 0.436 102 2HB LEU 19 1HB LEU 19 -20.572 -7.196 1.149 103 HG LEU 19 HG LEU 19 -21.352 -8.976 -0.374 104 1HD1 LEU 19 1HD1 LEU 19 -19.633 -10.097 -1.775 105 2HD1 LEU 19 2HD1 LEU 19 -18.438 -8.918 -1.237 106 3HD1 LEU 19 3HD1 LEU 19 -19.775 -8.416 -2.253 107 1HD2 LEU 19 1HD2 LEU 19 -18.788 -9.561 1.150 108 2HD2 LEU 19 2HD2 LEU 19 -20.016 -10.748 0.719 109 3HD2 LEU 19 3HD2 LEU 19 -20.395 -9.457 1.839 110 H LYS 20 H LYS 20 -22.367 -7.938 -1.515 111 HA LYS 20 HA LYS 20 -24.587 -6.064 -1.347 112 1HB LYS 20 2HB LYS 20 -25.943 -8.043 -1.990 113 2HB LYS 20 1HB LYS 20 -24.527 -7.905 -3.011 114 1HG LYS 20 2HG LYS 20 -23.371 -9.659 -1.639 115 2HG LYS 20 1HG LYS 20 -24.820 -9.825 -0.657 116 1HD LYS 20 2HD LYS 20 -26.135 -10.457 -2.660 117 2HD LYS 20 1HD LYS 20 -24.695 -10.314 -3.653 118 1HE LYS 20 2HE LYS 20 -23.587 -12.098 -2.312 119 2HE LYS 20 1HE LYS 20 -25.031 -12.242 -1.315 120 1HZ LYS 20 1HZ LYS 20 -24.680 -12.924 -4.158 121 2HZ LYS 20 2HZ LYS 20 -26.224 -12.651 -3.505 122 3HZ LYS 20 3HZ LYS 20 -25.250 -13.896 -2.886 123 H ILE 21 H ILE 21 -23.360 -8.815 0.504 124 HA ILE 21 HA ILE 21 -24.601 -7.844 2.982 125 HB ILE 21 HB ILE 21 -24.907 -10.645 1.811 126 1HG1 ILE 21 2HG1 ILE 21 -27.038 -8.535 2.425 127 2HG1 ILE 21 1HG1 ILE 21 -26.515 -9.013 0.824 128 1HG2 ILE 21 1HG2 ILE 21 -25.799 -9.524 4.496 129 2HG2 ILE 21 2HG2 ILE 21 -24.511 -10.695 4.248 130 3HG2 ILE 21 3HG2 ILE 21 -26.168 -11.145 3.913 131 1HD1 ILE 21 1HD1 ILE 21 -27.339 -11.309 1.195 132 2HD1 ILE 21 2HD1 ILE 21 -28.620 -10.123 1.383 133 3HD1 ILE 21 3HD1 ILE 21 -27.903 -10.862 2.798 134 H GLY 22 H GLY 22 -22.734 -7.555 4.146 135 1HA GLY 22 2HA GLY 22 -21.041 -8.400 5.549 136 2HA GLY 22 1HA GLY 22 -20.919 -9.781 4.490 137 H TYR 23 H TYR 23 -20.769 -6.386 4.018 138 HA TYR 23 HA TYR 23 -19.092 -5.826 1.988 139 1HB TYR 23 2HB TYR 23 -18.708 -4.352 4.574 140 2HB TYR 23 1HB TYR 23 -18.617 -3.721 2.940 141 HD1 TYR 23 1HD TYR 23 -20.764 -4.235 5.695 142 HD2 TYR 23 2HD TYR 23 -20.810 -3.942 1.462 143 HE1 TYR 23 1HE TYR 23 -23.177 -3.784 5.752 144 HE2 TYR 23 2HE TYR 23 -23.216 -3.490 1.515 145 HH TYR 23 HH TYR 23 -24.910 -2.869 4.453 146 H GLU 24 H GLU 24 -16.943 -5.330 1.617 147 HA GLU 24 HA GLU 24 -15.039 -6.879 3.257 148 1HB GLU 24 2HB GLU 24 -15.063 -6.215 0.339 149 2HB GLU 24 1HB GLU 24 -13.794 -7.097 1.143 150 1HG GLU 24 2HG GLU 24 -15.593 -8.710 1.908 151 2HG GLU 24 1HG GLU 24 -16.714 -7.787 0.904 152 H CYS 25 H CYS 25 -12.869 -6.453 2.950 153 HA CYS 25 HA CYS 25 -12.005 -3.697 2.896 154 1HB CYS 25 2HB CYS 25 -12.169 -4.338 5.309 155 2HB CYS 25 1HB CYS 25 -11.246 -5.796 4.985 156 H LEU 26 H LEU 26 -11.226 -4.162 0.829 157 HA LEU 26 HA LEU 26 -9.262 -6.343 0.476 158 1HB LEU 26 2HB LEU 26 -10.303 -4.301 -1.521 159 2HB LEU 26 1HB LEU 26 -9.520 -5.816 -1.857 160 HG LEU 26 HG LEU 26 -12.258 -5.481 -0.586 161 1HD1 LEU 26 1HD1 LEU 26 -13.108 -6.540 -2.665 162 2HD1 LEU 26 2HD1 LEU 26 -11.490 -6.543 -3.333 163 3HD1 LEU 26 3HD1 LEU 26 -12.294 -5.021 -2.997 164 1HD2 LEU 26 1HD2 LEU 26 -10.854 -8.075 -1.275 165 2HD2 LEU 26 2HD2 LEU 26 -12.518 -7.910 -0.732 166 3HD2 LEU 26 3HD2 LEU 26 -11.204 -7.484 0.346 167 H CYS 27 H CYS 27 -7.715 -5.123 -1.416 168 HA CYS 27 HA CYS 27 -5.931 -3.505 0.221 169 1HB CYS 27 2HB CYS 27 -5.670 -4.831 -2.440 170 2HB CYS 27 1HB CYS 27 -4.455 -3.743 -1.844 171 HA PRO 28 HA PRO 28 -7.090 0.243 -1.903 172 1HB PRO 28 2HB PRO 28 -5.248 1.904 -0.700 173 2HB PRO 28 1HB PRO 28 -6.713 1.378 0.066 174 1HG PRO 28 2HG PRO 28 -3.968 0.555 0.611 175 2HG PRO 28 1HG PRO 28 -5.404 0.436 1.628 176 1HD PRO 28 2HD PRO 28 -4.145 -1.637 0.117 177 2HD PRO 28 1HD PRO 28 -5.615 -1.719 1.109 178 H ASP 29 H ASP 29 -3.624 0.292 -1.335 179 HA ASP 29 HA ASP 29 -3.064 1.119 -4.089 180 1HB ASP 29 2HB ASP 29 -0.841 1.552 -3.223 181 2HB ASP 29 1HB ASP 29 -1.994 2.179 -2.074 182 H GLY 30 H GLY 30 -0.516 0.024 -4.342 183 1HA GLY 30 2HA GLY 30 -0.968 -2.361 -5.703 184 2HA GLY 30 1HA GLY 30 0.602 -1.718 -5.296 185 H PHE 31 H PHE 31 -0.417 -2.037 -2.317 186 HA PHE 31 HA PHE 31 1.045 -4.391 -1.707 187 1HB PHE 31 2HB PHE 31 -1.064 -2.823 -0.188 188 2HB PHE 31 1HB PHE 31 -0.159 -4.128 0.529 189 HD1 PHE 31 1HD PHE 31 1.974 -2.470 -1.859 190 HD2 PHE 31 2HD PHE 31 0.409 -2.075 2.100 191 HE1 PHE 31 1HE PHE 31 3.811 -1.030 -1.285 192 HE2 PHE 31 2HE PHE 31 2.289 -0.614 2.665 193 HZ PHE 31 HZ PHE 31 3.999 -0.096 0.979 194 H GLN 32 H GLN 32 0.070 -6.185 -0.327 195 HA GLN 32 HA GLN 32 -2.238 -7.409 -1.834 196 1HB GLN 32 2HB GLN 32 0.069 -8.389 -2.224 197 2HB GLN 32 1HB GLN 32 0.130 -8.798 -0.521 198 1HG GLN 32 2HG GLN 32 -1.929 -9.891 -2.477 199 2HG GLN 32 1HG GLN 32 -0.471 -10.735 -2.001 200 1HE2 GLN 32 1HE2 GLN 32 -3.692 -10.719 -1.405 201 2HE2 GLN 32 2HE2 GLN 32 -3.694 -11.276 0.199 202 H LEU 33 H LEU 33 -3.678 -8.626 -0.593 203 HA LEU 33 HA LEU 33 -4.098 -7.611 2.127 204 1HB LEU 33 2HB LEU 33 -5.932 -8.164 0.348 205 2HB LEU 33 1HB LEU 33 -5.668 -9.845 0.751 206 HG LEU 33 HG LEU 33 -6.074 -9.133 3.229 207 1HD1 LEU 33 1HD1 LEU 33 -5.795 -6.678 2.877 208 2HD1 LEU 33 2HD1 LEU 33 -7.393 -7.035 3.500 209 3HD1 LEU 33 3HD1 LEU 33 -7.177 -6.676 1.802 210 1HD2 LEU 33 1HD2 LEU 33 -8.518 -9.206 3.021 211 2HD2 LEU 33 2HD2 LEU 33 -7.771 -10.396 1.969 212 3HD2 LEU 33 3HD2 LEU 33 -8.404 -8.897 1.295 213 H VAL 34 H VAL 34 -1.963 -8.502 2.758 214 HA VAL 34 HA VAL 34 -1.732 -11.390 3.137 215 HB VAL 34 HB VAL 34 0.198 -10.102 2.403 216 1HG1 VAL 34 1HG1 VAL 34 0.016 -8.679 5.072 217 2HG1 VAL 34 2HG1 VAL 34 -0.315 -7.969 3.498 218 3HG1 VAL 34 3HG1 VAL 34 1.310 -8.509 3.895 219 1HG2 VAL 34 1HG2 VAL 34 0.632 -12.138 3.733 220 2HG2 VAL 34 2HG2 VAL 34 0.584 -11.202 5.219 221 3HG2 VAL 34 3HG2 VAL 34 1.859 -10.921 4.046 222 H ALA 35 H ALA 35 -2.062 -8.572 5.234 223 HA ALA 35 HA ALA 35 -2.019 -10.159 7.609 224 1HB ALA 35 1HB ALA 35 -2.369 -7.946 8.741 225 2HB ALA 35 2HB ALA 35 -2.551 -7.209 7.160 226 3HB ALA 35 3HB ALA 35 -1.032 -7.945 7.604 227 H GLN 36 H GLN 36 -3.998 -11.114 6.083 228 HA GLN 36 HA GLN 36 -6.115 -11.950 6.145 229 1HB GLN 36 2HB GLN 36 -6.378 -10.482 8.825 230 2HB GLN 36 1HB GLN 36 -7.424 -11.753 8.243 231 1HG GLN 36 2HG GLN 36 -4.443 -12.072 8.822 232 2HG GLN 36 1HG GLN 36 -5.754 -12.670 9.819 233 1HE2 GLN 36 1HE2 GLN 36 -3.935 -13.221 6.878 234 2HE2 GLN 36 2HE2 GLN 36 -4.632 -14.723 6.500 235 H ARG 37 H ARG 37 -6.683 -8.780 7.655 236 HA ARG 37 HA ARG 37 -8.619 -8.153 5.448 237 1HB ARG 37 2HB ARG 37 -8.714 -7.266 8.362 238 2HB ARG 37 1HB ARG 37 -9.907 -6.858 7.150 239 1HG ARG 37 2HG ARG 37 -9.257 -9.620 8.274 240 2HG ARG 37 1HG ARG 37 -10.688 -8.675 8.616 241 1HD ARG 37 2HD ARG 37 -9.926 -9.767 5.892 242 2HD ARG 37 1HD ARG 37 -11.169 -10.414 6.963 243 HE ARG 37 HE ARG 37 -11.919 -7.781 6.651 244 1HH1 ARG 37 2HH1 ARG 37 -11.149 -10.376 4.481 245 2HH1 ARG 37 1HH1 ARG 37 -12.215 -9.807 3.242 246 1HH2 ARG 37 1HH2 ARG 37 -13.275 -7.045 5.092 247 2HH2 ARG 37 2HH2 ARG 37 -13.434 -7.898 3.593 248 H ARG 38 H ARG 38 -5.858 -7.307 7.184 249 HA ARG 38 HA ARG 38 -5.849 -4.480 6.274 250 1HB ARG 38 2HB ARG 38 -5.164 -4.935 8.594 251 2HB ARG 38 1HB ARG 38 -3.965 -6.090 8.076 252 1HG ARG 38 2HG ARG 38 -2.776 -4.204 6.841 253 2HG ARG 38 1HG ARG 38 -3.971 -3.087 7.470 254 1HD ARG 38 2HD ARG 38 -2.099 -4.783 9.172 255 2HD ARG 38 1HD ARG 38 -1.922 -3.058 8.859 256 HE ARG 38 HE ARG 38 -4.522 -3.469 9.910 257 1HH1 ARG 38 2HH1 ARG 38 -1.200 -3.741 10.845 258 2HH1 ARG 38 1HH1 ARG 38 -1.521 -3.427 12.517 259 1HH2 ARG 38 1HH2 ARG 38 -4.960 -3.070 12.026 260 2HH2 ARG 38 2HH2 ARG 38 -3.685 -3.042 13.197 261 H CYS 39 H CYS 39 -4.730 -3.924 4.477 262 HA CYS 39 HA CYS 39 -3.274 -6.078 3.052 263 1HB CYS 39 2HB CYS 39 -5.009 -4.769 1.868 264 2HB CYS 39 1HB CYS 39 -4.060 -3.324 2.101 265 H GLU 40 H GLU 40 -1.194 -6.169 2.849 266 HA GLU 40 HA GLU 40 0.504 -3.770 3.121 267 1HB GLU 40 2HB GLU 40 0.230 -4.736 5.406 268 2HB GLU 40 1HB GLU 40 0.850 -6.268 4.829 269 1HG GLU 40 2HG GLU 40 3.020 -5.177 4.257 270 2HG GLU 40 1HG GLU 40 2.391 -3.635 4.807 271 H ASP 41 H ASP 41 2.695 -4.175 2.475 272 HA ASP 41 HA ASP 41 2.983 -6.260 0.394 273 1HB ASP 41 2HB ASP 41 2.917 -4.087 -0.349 274 2HB ASP 41 1HB ASP 41 4.153 -3.495 0.741 275 H ILE 42 H ILE 42 5.200 -6.797 -0.071 276 HA ILE 42 HA ILE 42 6.427 -7.917 2.234 277 HB ILE 42 HB ILE 42 6.522 -9.063 0.023 278 1HG1 ILE 42 2HG1 ILE 42 9.302 -8.239 1.009 279 2HG1 ILE 42 1HG1 ILE 42 8.323 -9.513 1.705 280 1HG2 ILE 42 1HG2 ILE 42 7.944 -8.160 -1.823 281 2HG2 ILE 42 2HG2 ILE 42 8.309 -6.738 -0.870 282 3HG2 ILE 42 3HG2 ILE 42 6.674 -7.035 -1.426 283 1HD1 ILE 42 1HD1 ILE 42 9.410 -9.491 -1.148 284 2HD1 ILE 42 2HD1 ILE 42 8.420 -10.761 -0.445 285 3HD1 ILE 42 3HD1 ILE 42 10.029 -10.443 0.183 286 H ASP 43 H ASP 43 8.295 -7.233 3.316 287 HA ASP 43 HA ASP 43 9.189 -4.440 2.771 288 1HB ASP 43 2HB ASP 43 8.464 -5.158 5.100 289 2HB ASP 43 1HB ASP 43 9.807 -6.281 5.139 290 H GLU 44 H GLU 44 10.712 -4.475 1.265 291 HA GLU 44 HA GLU 44 12.517 -6.740 0.970 292 1HB GLU 44 2HB GLU 44 13.423 -5.339 -0.941 293 2HB GLU 44 1HB GLU 44 11.752 -5.808 -1.057 294 1HG GLU 44 2HG GLU 44 12.636 -3.098 -0.047 295 2HG GLU 44 1HG GLU 44 12.319 -3.440 -1.737 296 H CYS 45 H CYS 45 12.683 -3.988 2.997 297 HA CYS 45 HA CYS 45 15.459 -3.481 2.730 298 1HB CYS 45 2HB CYS 45 13.523 -2.895 4.975 299 2HB CYS 45 1HB CYS 45 15.188 -2.528 5.084 300 H GLN 46 H GLN 46 13.630 -4.841 5.346 301 HA GLN 46 HA GLN 46 15.389 -5.907 7.076 302 1HB GLN 46 2HB GLN 46 12.841 -7.206 6.054 303 2HB GLN 46 1HB GLN 46 13.640 -7.644 7.541 304 1HG GLN 46 2HG GLN 46 12.493 -4.878 6.897 305 2HG GLN 46 1HG GLN 46 11.759 -6.058 7.965 306 1HE2 GLN 46 1HE2 GLN 46 13.091 -6.670 9.938 307 2HE2 GLN 46 2HE2 GLN 46 14.109 -5.489 10.613 308 H ASP 47 H ASP 47 14.442 -7.515 4.107 309 HA ASP 47 HA ASP 47 16.030 -9.825 4.609 310 1HB ASP 47 2HB ASP 47 14.006 -10.006 3.245 311 2HB ASP 47 1HB ASP 47 14.660 -8.874 2.072 312 HA PRO 48 HA PRO 48 19.871 -7.994 3.162 313 1HB PRO 48 2HB PRO 48 20.739 -10.780 2.493 314 2HB PRO 48 1HB PRO 48 21.446 -9.635 3.603 315 1HG PRO 48 2HG PRO 48 20.095 -11.772 4.464 316 2HG PRO 48 1HG PRO 48 20.087 -10.233 5.341 317 1HD PRO 48 2HD PRO 48 17.974 -11.427 3.593 318 2HD PRO 48 1HD PRO 48 17.841 -10.498 5.102 319 H ASP 49 H ASP 49 18.871 -7.017 1.425 320 HA ASP 49 HA ASP 49 19.621 -8.079 -1.214 321 1HB ASP 49 2HB ASP 49 17.298 -8.850 -0.876 322 2HB ASP 49 1HB ASP 49 16.825 -7.227 -0.399 323 H THR 50 H THR 50 18.601 -5.515 0.887 324 HA THR 50 HA THR 50 18.994 -3.385 -1.072 325 HB THR 50 HB THR 50 18.456 -3.321 1.971 326 HG1 THR 50 1HG THR 50 16.857 -4.347 0.785 327 1HG2 THR 50 1HG2 THR 50 17.631 -1.026 1.469 328 2HG2 THR 50 2HG2 THR 50 17.981 -1.229 -0.235 329 3HG2 THR 50 3HG2 THR 50 19.285 -1.141 0.937 330 H CYS 51 H CYS 51 20.281 -2.587 1.969 331 HA CYS 51 HA CYS 51 23.064 -2.747 0.926 332 1HB CYS 51 2HB CYS 51 21.579 -0.774 2.653 333 2HB CYS 51 1HB CYS 51 23.314 -0.806 2.614 334 H SER 52 H SER 52 24.716 -2.690 2.879 335 HA SER 52 HA SER 52 24.600 -5.162 4.167 336 1HB SER 52 2HB SER 52 26.709 -3.852 3.878 337 2HB SER 52 1HB SER 52 26.140 -2.714 5.115 338 HG SER 52 HG SER 52 27.398 -4.336 6.046 339 H GLN 53 H GLN 53 23.758 -2.036 5.568 340 HA GLN 53 HA GLN 53 22.486 -3.523 7.837 341 1HB GLN 53 2HB GLN 53 23.958 -0.872 7.925 342 2HB GLN 53 1HB GLN 53 23.107 -1.595 9.280 343 1HG GLN 53 2HG GLN 53 25.422 -2.877 7.780 344 2HG GLN 53 1HG GLN 53 25.568 -2.084 9.341 345 1HE2 GLN 53 1HE2 GLN 53 23.586 -3.030 10.887 346 2HE2 GLN 53 2HE2 GLN 53 23.590 -4.726 10.972 347 H LEU 54 H LEU 54 22.178 -0.062 7.807 348 HA LEU 54 HA LEU 54 19.378 -0.296 7.951 349 1HB LEU 54 2HB LEU 54 21.028 2.127 7.347 350 2HB LEU 54 1HB LEU 54 19.323 2.106 7.766 351 HG LEU 54 HG LEU 54 21.639 1.456 9.570 352 1HD1 LEU 54 1HD1 LEU 54 19.355 3.475 9.527 353 2HD1 LEU 54 2HD1 LEU 54 21.003 3.845 9.075 354 3HD1 LEU 54 3HD1 LEU 54 20.622 3.419 10.745 355 1HD2 LEU 54 1HD2 LEU 54 18.646 1.279 10.077 356 2HD2 LEU 54 2HD2 LEU 54 19.920 1.050 11.276 357 3HD2 LEU 54 3HD2 LEU 54 19.723 -0.115 9.972 358 H CYS 55 H CYS 55 17.906 0.723 7.030 359 HA CYS 55 HA CYS 55 17.821 1.573 4.253 360 1HB CYS 55 2HB CYS 55 17.910 -0.881 4.001 361 2HB CYS 55 1HB CYS 55 16.621 -1.090 5.113 362 H VAL 56 H VAL 56 15.287 1.622 3.716 363 HA VAL 56 HA VAL 56 13.586 2.244 6.013 364 HB VAL 56 HB VAL 56 14.855 4.369 5.769 365 1HG1 VAL 56 1HG1 VAL 56 15.592 4.207 3.420 366 2HG1 VAL 56 2HG1 VAL 56 14.800 5.737 3.728 367 3HG1 VAL 56 3HG1 VAL 56 13.952 4.483 2.856 368 1HG2 VAL 56 1HG2 VAL 56 12.036 4.614 4.651 369 2HG2 VAL 56 2HG2 VAL 56 12.962 5.926 5.361 370 3HG2 VAL 56 3HG2 VAL 56 12.479 4.558 6.349 371 H ASN 57 H ASN 57 12.081 0.944 5.419 372 HA ASN 57 HA ASN 57 11.304 0.495 2.634 373 1HB ASN 57 2HB ASN 57 11.438 -1.388 4.298 374 2HB ASN 57 1HB ASN 57 10.143 -0.625 5.207 375 1HD2 ASN 57 1HD2 ASN 57 8.471 -2.122 4.915 376 2HD2 ASN 57 2HD2 ASN 57 7.856 -2.569 3.397 377 H LEU 58 H LEU 58 9.194 0.514 1.991 378 HA LEU 58 HA LEU 58 6.971 1.949 3.119 379 1HB LEU 58 2HB LEU 58 6.980 3.960 1.699 380 2HB LEU 58 1HB LEU 58 8.388 3.949 2.703 381 HG LEU 58 HG LEU 58 8.533 3.011 -0.198 382 1HD1 LEU 58 1HD1 LEU 58 7.772 5.406 -0.072 383 2HD1 LEU 58 2HD1 LEU 58 9.412 5.280 -0.684 384 3HD1 LEU 58 3HD1 LEU 58 9.130 5.774 0.979 385 1HD2 LEU 58 1HD2 LEU 58 10.935 3.551 0.160 386 2HD2 LEU 58 2HD2 LEU 58 10.426 2.351 1.315 387 3HD2 LEU 58 3HD2 LEU 58 10.600 4.029 1.805 388 H GLU 59 H GLU 59 6.165 2.885 0.568 389 HA GLU 59 HA GLU 59 5.033 0.436 -0.471 390 1HB GLU 59 2HB GLU 59 3.800 2.684 -0.394 391 2HB GLU 59 1HB GLU 59 4.893 3.272 -1.633 392 1HG GLU 59 2HG GLU 59 4.045 1.512 -3.213 393 2HG GLU 59 1HG GLU 59 2.997 0.898 -1.949 394 H GLY 60 H GLY 60 6.729 -0.635 -0.753 395 1HA GLY 60 2HA GLY 60 8.213 -1.811 -1.939 396 2HA GLY 60 1HA GLY 60 7.329 -1.245 -3.346 397 H GLY 61 H GLY 61 8.282 1.479 -1.966 398 1HA GLY 61 2HA GLY 61 10.553 1.893 -3.787 399 2HA GLY 61 1HA GLY 61 9.729 3.125 -2.850 400 H TYR 62 H TYR 62 10.912 0.398 -1.204 401 HA TYR 62 HA TYR 62 12.323 1.523 0.815 402 1HB TYR 62 2HB TYR 62 13.701 -0.426 1.056 403 2HB TYR 62 1HB TYR 62 12.150 -0.960 0.460 404 HD1 TYR 62 1HD TYR 62 15.502 -1.454 0.103 405 HD2 TYR 62 2HD TYR 62 12.126 -0.769 -2.395 406 HE1 TYR 62 1HE TYR 62 16.698 -2.448 -1.784 407 HE2 TYR 62 2HE TYR 62 13.322 -1.758 -4.276 408 HH TYR 62 HH TYR 62 16.190 -2.030 -4.708 409 H LYS 63 H LYS 63 14.195 2.597 1.282 410 HA LYS 63 HA LYS 63 16.228 2.878 -0.857 411 1HB LYS 63 2HB LYS 63 15.337 4.941 1.166 412 2HB LYS 63 1HB LYS 63 16.558 5.112 -0.028 413 1HG LYS 63 2HG LYS 63 13.614 4.696 -0.673 414 2HG LYS 63 1HG LYS 63 14.434 6.240 -0.720 415 1HD LYS 63 2HD LYS 63 15.981 5.377 -2.488 416 2HD LYS 63 1HD LYS 63 15.143 3.838 -2.473 417 1HE LYS 63 2HE LYS 63 14.323 5.243 -4.326 418 2HE LYS 63 1HE LYS 63 13.033 4.965 -3.171 419 1HZ LYS 63 1HZ LYS 63 13.130 7.097 -2.401 420 2HZ LYS 63 2HZ LYS 63 13.485 7.321 -4.047 421 3HZ LYS 63 3HZ LYS 63 14.736 7.338 -2.899 422 H CYS 64 H CYS 64 18.312 3.335 0.007 423 HA CYS 64 HA CYS 64 18.881 1.781 2.429 424 1HB CYS 64 2HB CYS 64 20.642 3.014 0.350 425 2HB CYS 64 1HB CYS 64 21.255 2.226 1.749 426 H GLN 65 H GLN 65 20.450 2.403 3.819 427 HA GLN 65 HA GLN 65 21.169 5.185 4.429 428 1HB GLN 65 2HB GLN 65 19.815 3.581 6.607 429 2HB GLN 65 1HB GLN 65 20.222 5.251 6.614 430 1HG GLN 65 2HG GLN 65 18.510 5.827 4.955 431 2HG GLN 65 1HG GLN 65 17.998 4.145 4.867 432 1HE2 GLN 65 1HE2 GLN 65 17.870 3.312 7.470 433 2HE2 GLN 65 2HE2 GLN 65 16.788 4.273 8.357 434 H CYS 66 H CYS 66 22.407 4.688 6.824 435 HA CYS 66 HA CYS 66 23.884 2.152 6.499 436 1HB CYS 66 2HB CYS 66 25.145 4.822 6.951 437 2HB CYS 66 1HB CYS 66 25.868 3.315 6.802 438 H GLU 67 H GLU 67 25.156 1.537 8.250 439 HA GLU 67 HA GLU 67 23.905 2.127 10.859 440 1HB GLU 67 2HB GLU 67 24.470 -0.211 10.066 441 2HB GLU 67 1HB GLU 67 26.166 0.180 10.163 442 1HG GLU 67 2HG GLU 67 24.190 0.152 12.492 443 2HG GLU 67 1HG GLU 67 25.373 -1.089 12.162 444 H GLU 68 H GLU 68 24.605 4.275 10.931 445 HA GLU 68 HA GLU 68 25.950 6.077 11.442 446 1HB GLU 68 2HB GLU 68 27.113 3.943 13.265 447 2HB GLU 68 1HB GLU 68 27.367 5.660 13.469 448 1HG GLU 68 2HG GLU 68 24.892 5.985 13.700 449 2HG GLU 68 1HG GLU 68 24.644 4.262 13.467 450 H GLY 69 H GLY 69 28.478 3.722 11.915 451 1HA GLY 69 2HA GLY 69 30.543 5.314 10.858 452 2HA GLY 69 1HA GLY 69 30.685 3.622 11.282 453 H PHE 70 H PHE 70 28.374 3.103 9.268 454 HA PHE 70 HA PHE 70 30.127 2.504 7.133 455 1HB PHE 70 2HB PHE 70 27.183 2.254 7.546 456 2HB PHE 70 1HB PHE 70 27.899 1.764 6.022 457 HD1 PHE 70 1HD PHE 70 29.607 1.154 9.285 458 HD2 PHE 70 2HD PHE 70 27.089 -0.503 6.272 459 HE1 PHE 70 1HE PHE 70 29.919 -1.061 10.252 460 HE2 PHE 70 2HE PHE 70 27.419 -2.723 7.247 461 HZ PHE 70 HZ PHE 70 28.830 -3.015 9.231 462 H GLN 71 H GLN 71 29.848 3.175 4.931 463 HA GLN 71 HA GLN 71 28.552 5.758 4.489 464 1HB GLN 71 2HB GLN 71 31.417 4.966 4.172 465 2HB GLN 71 1HB GLN 71 30.782 6.065 3.003 466 1HG GLN 71 2HG GLN 71 30.658 6.488 6.036 467 2HG GLN 71 1HG GLN 71 31.809 7.280 4.961 468 1HE2 GLN 71 1HE2 GLN 71 30.005 8.852 6.436 469 2HE2 GLN 71 2HE2 GLN 71 28.868 9.554 5.389 470 H LEU 72 H LEU 72 28.787 6.406 2.240 471 HA LEU 72 HA LEU 72 27.445 4.322 0.657 472 1HB LEU 72 2HB LEU 72 26.705 6.698 0.543 473 2HB LEU 72 1HB LEU 72 28.249 7.143 -0.155 474 HG LEU 72 HG LEU 72 27.799 5.524 -2.055 475 1HD1 LEU 72 1HD1 LEU 72 26.201 3.994 -0.939 476 2HD1 LEU 72 2HD1 LEU 72 25.502 4.671 -2.392 477 3HD1 LEU 72 3HD1 LEU 72 25.027 5.295 -0.822 478 1HD2 LEU 72 1HD2 LEU 72 25.666 7.661 -1.614 479 2HD2 LEU 72 2HD2 LEU 72 26.094 6.962 -3.172 480 3HD2 LEU 72 3HD2 LEU 72 27.264 7.938 -2.296 481 H ASP 73 H ASP 73 28.751 2.802 0.022 482 HA ASP 73 HA ASP 73 31.472 3.259 -0.951 483 1HB ASP 73 2HB ASP 73 30.769 1.208 0.322 484 2HB ASP 73 1HB ASP 73 29.775 0.703 -1.030 485 HA PRO 74 HA PRO 74 29.868 3.964 -5.102 486 1HB PRO 74 2HB PRO 74 32.162 4.363 -6.413 487 2HB PRO 74 1HB PRO 74 31.635 5.496 -5.191 488 1HG PRO 74 2HG PRO 74 33.615 3.270 -4.906 489 2HG PRO 74 1HG PRO 74 33.732 4.961 -4.384 490 1HD PRO 74 2HD PRO 74 33.024 2.933 -2.703 491 2HD PRO 74 1HD PRO 74 32.478 4.608 -2.494 492 H HIS 75 H HIS 75 30.036 3.058 -7.231 493 HA HIS 75 HA HIS 75 29.959 1.279 -8.746 494 1HB HIS 75 2HB HIS 75 32.310 0.204 -7.110 495 2HB HIS 75 1HB HIS 75 31.845 -0.318 -8.720 496 HD1 HIS 75 1HD HIS 75 33.160 2.718 -7.001 497 HD2 HIS 75 2HD HIS 75 32.753 1.301 -10.807 498 HE1 HIS 75 1HE HIS 75 34.392 4.283 -8.459 499 H THR 76 H THR 76 29.127 1.026 -5.701 500 HA THR 76 HA THR 76 27.892 -1.671 -5.920 501 HB THR 76 HB THR 76 28.298 -1.890 -3.409 502 HG1 THR 76 1HG THR 76 28.548 0.192 -2.897 503 1HG2 THR 76 1HG2 THR 76 30.079 -2.882 -5.036 504 2HG2 THR 76 2HG2 THR 76 30.769 -2.334 -3.517 505 3HG2 THR 76 3HG2 THR 76 30.918 -1.341 -4.955 506 H LYS 77 H LYS 77 27.988 1.497 -4.521 507 HA LYS 77 HA LYS 77 26.517 2.965 -3.740 508 1HB LYS 77 2HB LYS 77 25.547 2.135 -6.064 509 2HB LYS 77 1HB LYS 77 24.355 1.451 -4.962 510 1HG LYS 77 2HG LYS 77 24.131 3.606 -3.847 511 2HG LYS 77 1HG LYS 77 25.305 4.242 -4.993 512 1HD LYS 77 2HD LYS 77 23.790 3.780 -6.909 513 2HD LYS 77 1HD LYS 77 22.601 3.075 -5.828 514 1HE LYS 77 2HE LYS 77 21.986 5.405 -6.407 515 2HE LYS 77 1HE LYS 77 22.325 5.271 -4.688 516 1HZ LYS 77 1HZ LYS 77 23.362 7.157 -6.127 517 2HZ LYS 77 2HZ LYS 77 24.518 5.969 -6.497 518 3HZ LYS 77 3HZ LYS 77 24.255 6.424 -4.881 519 H ALA 78 H ALA 78 27.080 0.353 -2.433 520 HA ALA 78 HA ALA 78 24.702 0.045 -0.663 521 1HB ALA 78 1HB ALA 78 25.493 -2.003 -1.794 522 2HB ALA 78 2HB ALA 78 25.734 -2.128 -0.055 523 3HB ALA 78 3HB ALA 78 27.095 -1.767 -1.109 524 H CYS 79 H CYS 79 24.977 0.034 1.576 525 HA CYS 79 HA CYS 79 27.135 1.769 2.513 526 1HB CYS 79 2HB CYS 79 24.808 0.543 3.943 527 2HB CYS 79 1HB CYS 79 26.008 1.500 4.753 528 H LYS 80 H LYS 80 28.753 1.294 3.809 529 HA LYS 80 HA LYS 80 28.949 -1.225 5.251 530 1HB LYS 80 2HB LYS 80 30.952 -1.888 4.256 531 2HB LYS 80 1HB LYS 80 29.580 -2.138 3.204 532 1HG LYS 80 2HG LYS 80 31.197 -1.350 1.658 533 2HG LYS 80 1HG LYS 80 30.225 0.050 2.006 534 1HD LYS 80 2HD LYS 80 32.575 0.663 1.873 535 2HD LYS 80 1HD LYS 80 32.025 0.953 3.491 536 1HE LYS 80 2HE LYS 80 33.045 -1.213 4.217 537 2HE LYS 80 1HE LYS 80 33.549 -1.524 2.561 538 1HZ LYS 80 1HZ LYS 80 34.316 1.008 3.804 539 2HZ LYS 80 2HZ LYS 80 35.136 0.073 2.646 540 3HZ LYS 80 3HZ LYS 80 35.131 -0.405 4.277 541 H ALA 81 H ALA 81 30.808 -1.284 6.661 542 HA ALA 81 HA ALA 81 31.464 0.962 8.104 543 1HB ALA 81 1HB ALA 81 32.047 -1.324 8.801 544 2HB ALA 81 2HB ALA 81 33.463 -0.290 8.895 545 3HB ALA 81 3HB ALA 81 33.282 -1.414 7.555 546 H VAL 82 H VAL 82 32.173 2.853 7.422 547 HA VAL 82 HA VAL 82 33.508 3.563 5.144 548 HB VAL 82 HB VAL 82 32.556 5.145 6.799 549 1HG1 VAL 82 1HG1 VAL 82 33.453 4.104 8.893 550 2HG1 VAL 82 2HG1 VAL 82 33.860 5.807 8.808 551 3HG1 VAL 82 3HG1 VAL 82 35.071 4.591 8.445 552 1HG2 VAL 82 1HG2 VAL 82 35.463 5.748 6.125 553 2HG2 VAL 82 2HG2 VAL 82 34.256 6.934 6.589 554 3HG2 VAL 82 3HG2 VAL 82 34.076 6.041 5.088 Start of MODEL 17 1 H GLY 1 H GLY 1 -24.402 -4.759 -1.413 2 1HA GLY 1 2HA GLY 1 -26.652 -3.279 -2.084 3 2HA GLY 1 1HA GLY 1 -26.364 -3.875 -0.449 4 H THR 2 H THR 2 -26.288 -2.323 1.076 5 HA THR 2 HA THR 2 -26.521 0.401 0.579 6 HB THR 2 HB THR 2 -27.201 -0.532 2.714 7 HG1 THR 2 1HG THR 2 -26.230 1.670 2.415 8 1HG2 THR 2 1HG2 THR 2 -24.186 -0.778 3.241 9 2HG2 THR 2 2HG2 THR 2 -25.243 -2.156 2.959 10 3HG2 THR 2 3HG2 THR 2 -25.466 -1.155 4.389 11 H ASN 3 H ASN 3 -25.156 2.072 1.318 12 HA ASN 3 HA ASN 3 -22.378 1.793 0.303 13 1HB ASN 3 2HB ASN 3 -23.934 3.559 -0.590 14 2HB ASN 3 1HB ASN 3 -24.017 4.266 1.012 15 1HD2 ASN 3 1HD2 ASN 3 -23.154 6.079 -0.631 16 2HD2 ASN 3 2HD2 ASN 3 -21.465 6.259 -0.654 17 H GLU 4 H GLU 4 -22.006 0.515 2.235 18 HA GLU 4 HA GLU 4 -21.997 1.555 4.881 19 1HB GLU 4 2HB GLU 4 -20.743 -0.440 5.409 20 2HB GLU 4 1HB GLU 4 -21.942 -0.865 4.220 21 1HG GLU 4 2HG GLU 4 -18.967 -0.430 3.670 22 2HG GLU 4 1HG GLU 4 -19.806 -1.958 3.661 23 H CYS 5 H CYS 5 -20.136 2.514 2.312 24 HA CYS 5 HA CYS 5 -17.587 2.837 3.476 25 1HB CYS 5 2HB CYS 5 -18.895 4.346 1.228 26 2HB CYS 5 1HB CYS 5 -17.208 4.363 1.596 27 H LEU 6 H LEU 6 -20.370 4.821 3.134 28 HA LEU 6 HA LEU 6 -19.668 7.361 3.834 29 1HB LEU 6 2HB LEU 6 -22.131 5.851 4.763 30 2HB LEU 6 1HB LEU 6 -21.977 7.591 4.660 31 HG LEU 6 HG LEU 6 -21.780 5.671 2.292 32 1HD1 LEU 6 1HD1 LEU 6 -23.959 7.635 3.109 33 2HD1 LEU 6 2HD1 LEU 6 -24.071 5.882 3.198 34 3HD1 LEU 6 3HD1 LEU 6 -23.955 6.676 1.635 35 1HD2 LEU 6 1HD2 LEU 6 -21.821 8.738 2.354 36 2HD2 LEU 6 2HD2 LEU 6 -21.812 7.756 0.901 37 3HD2 LEU 6 3HD2 LEU 6 -20.414 7.770 1.950 38 H ASP 7 H ASP 7 -20.632 4.887 6.144 39 HA ASP 7 HA ASP 7 -19.578 6.482 8.445 40 1HB ASP 7 2HB ASP 7 -21.912 5.368 8.489 41 2HB ASP 7 1HB ASP 7 -21.071 3.830 8.367 42 H ASN 8 H ASN 8 -18.894 4.255 9.978 43 HA ASN 8 HA ASN 8 -16.224 3.820 9.515 44 1HB ASN 8 2HB ASN 8 -18.192 1.973 10.646 45 2HB ASN 8 1HB ASN 8 -16.473 1.832 10.940 46 1HD2 ASN 8 1HD2 ASN 8 -15.439 3.755 12.052 47 2HD2 ASN 8 2HD2 ASN 8 -16.372 4.666 13.139 48 H ASN 9 H ASN 9 -15.315 3.047 7.718 49 HA ASN 9 HA ASN 9 -16.299 1.942 5.446 50 1HB ASN 9 2HB ASN 9 -13.996 2.698 5.867 51 2HB ASN 9 1HB ASN 9 -13.723 1.254 6.827 52 1HD2 ASN 9 1HD2 ASN 9 -13.508 -0.772 5.801 53 2HD2 ASN 9 2HD2 ASN 9 -13.122 -0.879 4.161 54 H GLY 10 H GLY 10 -18.059 0.551 6.075 55 1HA GLY 10 2HA GLY 10 -19.040 -1.547 6.038 56 2HA GLY 10 1HA GLY 10 -17.427 -2.213 5.869 57 H GLY 11 H GLY 11 -16.852 -0.474 8.343 58 1HA GLY 11 2HA GLY 11 -18.023 -0.878 10.706 59 2HA GLY 11 1HA GLY 11 -17.341 -2.495 10.424 60 H CYS 12 H CYS 12 -15.322 -1.198 8.731 61 HA CYS 12 HA CYS 12 -13.269 -0.557 10.742 62 1HB CYS 12 2HB CYS 12 -13.182 -1.275 7.797 63 2HB CYS 12 1HB CYS 12 -11.798 -1.029 8.797 64 H SER 13 H SER 13 -11.734 0.642 8.481 65 HA SER 13 HA SER 13 -12.961 3.097 7.613 66 1HB SER 13 2HB SER 13 -11.510 4.598 9.000 67 2HB SER 13 1HB SER 13 -12.551 3.618 10.041 68 HG SER 13 HG SER 13 -10.788 2.066 10.078 69 H HIS 14 H HIS 14 -11.823 0.848 6.539 70 HA HIS 14 HA HIS 14 -9.245 1.716 5.370 71 1HB HIS 14 2HB HIS 14 -10.392 -1.046 5.907 72 2HB HIS 14 1HB HIS 14 -8.859 -0.716 5.142 73 HD1 HIS 14 1HD HIS 14 -9.936 -1.634 8.264 74 HD2 HIS 14 2HD HIS 14 -7.386 1.328 7.086 75 HE1 HIS 14 1HE HIS 14 -8.585 -1.055 10.244 76 H VAL 15 H VAL 15 -10.562 -1.010 3.910 77 HA VAL 15 HA VAL 15 -11.510 0.563 1.551 78 HB VAL 15 HB VAL 15 -10.385 -2.253 1.691 79 1HG1 VAL 15 1HG1 VAL 15 -12.063 -2.015 -0.148 80 2HG1 VAL 15 2HG1 VAL 15 -10.449 -2.177 -0.807 81 3HG1 VAL 15 3HG1 VAL 15 -11.220 -0.599 -0.745 82 1HG2 VAL 15 1HG2 VAL 15 -9.229 0.301 0.541 83 2HG2 VAL 15 2HG2 VAL 15 -8.492 -1.292 0.439 84 3HG2 VAL 15 3HG2 VAL 15 -8.687 -0.512 2.004 85 H CYS 16 H CYS 16 -13.630 0.654 1.572 86 HA CYS 16 HA CYS 16 -15.326 -1.461 2.672 87 1HB CYS 16 2HB CYS 16 -17.108 0.127 2.007 88 2HB CYS 16 1HB CYS 16 -15.926 0.899 3.012 89 H ASN 17 H ASN 17 -14.416 -3.063 1.237 90 HA ASN 17 HA ASN 17 -14.977 -2.812 -1.651 91 1HB ASN 17 2HB ASN 17 -12.923 -3.762 -1.098 92 2HB ASN 17 1HB ASN 17 -13.538 -4.819 0.121 93 1HD2 ASN 17 1HD2 ASN 17 -14.015 -6.928 -0.625 94 2HD2 ASN 17 2HD2 ASN 17 -14.076 -7.385 -2.255 95 H ASP 18 H ASP 18 -16.938 -2.599 -1.620 96 HA ASP 18 HA ASP 18 -19.094 -3.777 -0.359 97 1HB ASP 18 2HB ASP 18 -19.226 -1.760 -1.763 98 2HB ASP 18 1HB ASP 18 -19.011 -2.732 -3.207 99 H LEU 19 H LEU 19 -18.852 -5.899 -0.088 100 HA LEU 19 HA LEU 19 -18.739 -7.884 -2.123 101 1HB LEU 19 2HB LEU 19 -18.110 -7.889 0.441 102 2HB LEU 19 1HB LEU 19 -19.818 -8.074 0.696 103 HG LEU 19 HG LEU 19 -19.841 -10.196 -0.589 104 1HD1 LEU 19 1HD1 LEU 19 -17.827 -9.646 -1.996 105 2HD1 LEU 19 2HD1 LEU 19 -17.625 -11.171 -1.154 106 3HD1 LEU 19 3HD1 LEU 19 -16.835 -9.715 -0.551 107 1HD2 LEU 19 1HD2 LEU 19 -18.718 -11.455 1.226 108 2HD2 LEU 19 2HD2 LEU 19 -19.614 -10.086 1.849 109 3HD2 LEU 19 3HD2 LEU 19 -17.871 -9.991 1.708 110 H LYS 20 H LYS 20 -20.679 -9.575 -2.083 111 HA LYS 20 HA LYS 20 -23.040 -8.136 -2.957 112 1HB LYS 20 2HB LYS 20 -23.956 -10.425 -3.340 113 2HB LYS 20 1HB LYS 20 -22.336 -10.262 -3.988 114 1HG LYS 20 2HG LYS 20 -21.416 -11.433 -1.959 115 2HG LYS 20 1HG LYS 20 -23.045 -11.613 -1.338 116 1HD LYS 20 2HD LYS 20 -22.365 -13.692 -2.396 117 2HD LYS 20 1HD LYS 20 -23.691 -12.974 -3.286 118 1HE LYS 20 2HE LYS 20 -22.087 -12.099 -4.987 119 2HE LYS 20 1HE LYS 20 -20.747 -12.778 -4.072 120 1HZ LYS 20 1HZ LYS 20 -21.407 -14.206 -5.873 121 2HZ LYS 20 2HZ LYS 20 -22.992 -14.293 -5.267 122 3HZ LYS 20 3HZ LYS 20 -21.706 -14.966 -4.384 123 H ILE 21 H ILE 21 -22.179 -10.175 -0.181 124 HA ILE 21 HA ILE 21 -24.098 -8.811 1.564 125 HB ILE 21 HB ILE 21 -23.943 -11.823 1.111 126 1HG1 ILE 21 2HG1 ILE 21 -26.257 -9.886 0.605 127 2HG1 ILE 21 1HG1 ILE 21 -25.304 -10.682 -0.632 128 1HG2 ILE 21 1HG2 ILE 21 -24.220 -11.246 3.499 129 2HG2 ILE 21 2HG2 ILE 21 -25.704 -11.951 2.896 130 3HG2 ILE 21 3HG2 ILE 21 -25.581 -10.206 3.105 131 1HD1 ILE 21 1HD1 ILE 21 -26.098 -12.895 0.121 132 2HD1 ILE 21 2HD1 ILE 21 -27.432 -11.849 -0.333 133 3HD1 ILE 21 3HD1 ILE 21 -27.088 -12.136 1.357 134 H GLY 22 H GLY 22 -22.803 -8.181 3.228 135 1HA GLY 22 2HA GLY 22 -21.450 -8.467 5.107 136 2HA GLY 22 1HA GLY 22 -20.982 -10.027 4.477 137 H TYR 23 H TYR 23 -20.868 -6.789 3.345 138 HA TYR 23 HA TYR 23 -18.793 -6.442 1.683 139 1HB TYR 23 2HB TYR 23 -19.128 -4.519 3.968 140 2HB TYR 23 1HB TYR 23 -18.623 -4.169 2.330 141 HD1 TYR 23 1HD TYR 23 -20.459 -5.259 0.492 142 HD2 TYR 23 2HD TYR 23 -21.294 -3.851 4.405 143 HE1 TYR 23 1HE TYR 23 -22.788 -4.902 -0.145 144 HE2 TYR 23 2HE TYR 23 -23.635 -3.491 3.777 145 HH TYR 23 HH TYR 23 -25.021 -4.810 1.067 146 H GLU 24 H GLU 24 -16.641 -5.752 1.733 147 HA GLU 24 HA GLU 24 -15.071 -6.968 3.909 148 1HB GLU 24 2HB GLU 24 -14.336 -6.196 1.126 149 2HB GLU 24 1HB GLU 24 -13.297 -7.019 2.245 150 1HG GLU 24 2HG GLU 24 -15.921 -8.077 1.126 151 2HG GLU 24 1HG GLU 24 -14.322 -8.611 0.651 152 H CYS 25 H CYS 25 -13.282 -6.219 4.527 153 HA CYS 25 HA CYS 25 -12.788 -3.369 4.766 154 1HB CYS 25 2HB CYS 25 -13.656 -4.330 6.814 155 2HB CYS 25 1HB CYS 25 -12.601 -5.701 6.681 156 H LEU 26 H LEU 26 -11.556 -4.185 2.638 157 HA LEU 26 HA LEU 26 -9.127 -5.696 3.075 158 1HB LEU 26 2HB LEU 26 -9.532 -3.881 0.695 159 2HB LEU 26 1HB LEU 26 -8.708 -5.385 0.829 160 HG LEU 26 HG LEU 26 -11.712 -5.242 1.003 161 1HD1 LEU 26 1HD1 LEU 26 -10.952 -4.741 -1.290 162 2HD1 LEU 26 2HD1 LEU 26 -11.670 -6.337 -1.230 163 3HD1 LEU 26 3HD1 LEU 26 -9.933 -6.171 -1.289 164 1HD2 LEU 26 1HD2 LEU 26 -10.795 -7.149 2.266 165 2HD2 LEU 26 2HD2 LEU 26 -9.869 -7.648 0.854 166 3HD2 LEU 26 3HD2 LEU 26 -11.626 -7.690 0.818 167 H CYS 27 H CYS 27 -7.164 -4.635 1.994 168 HA CYS 27 HA CYS 27 -6.211 -2.526 3.742 169 1HB CYS 27 2HB CYS 27 -4.852 -4.179 1.637 170 2HB CYS 27 1HB CYS 27 -4.042 -3.069 2.713 171 HA PRO 28 HA PRO 28 -7.069 0.804 0.787 172 1HB PRO 28 2HB PRO 28 -5.053 2.158 2.565 173 2HB PRO 28 1HB PRO 28 -6.611 2.734 2.023 174 1HG PRO 28 2HG PRO 28 -6.384 1.860 4.480 175 2HG PRO 28 1HG PRO 28 -7.801 1.391 3.518 176 1HD PRO 28 2HD PRO 28 -5.345 -0.209 4.155 177 2HD PRO 28 1HD PRO 28 -7.052 -0.696 4.154 178 H ASP 29 H ASP 29 -3.770 0.652 2.009 179 HA ASP 29 HA ASP 29 -2.642 1.320 -0.590 180 1HB ASP 29 2HB ASP 29 -0.507 1.228 0.677 181 2HB ASP 29 1HB ASP 29 -1.683 2.241 1.473 182 H GLY 30 H GLY 30 -0.520 -0.013 -0.972 183 1HA GLY 30 2HA GLY 30 -1.184 -2.372 -2.244 184 2HA GLY 30 1HA GLY 30 0.443 -1.890 -1.857 185 H PHE 31 H PHE 31 -0.533 -2.191 1.167 186 HA PHE 31 HA PHE 31 0.710 -4.674 1.605 187 1HB PHE 31 2HB PHE 31 -1.227 -3.102 3.270 188 2HB PHE 31 1HB PHE 31 -0.399 -4.503 3.881 189 HD1 PHE 31 1HD PHE 31 1.718 -2.776 1.540 190 HD2 PHE 31 2HD PHE 31 0.298 -2.716 5.563 191 HE1 PHE 31 1HE PHE 31 3.555 -1.320 2.143 192 HE2 PHE 31 2HE PHE 31 2.192 -1.236 6.171 193 HZ PHE 31 HZ PHE 31 3.801 -0.567 4.460 194 H GLN 32 H GLN 32 -0.140 -6.441 2.859 195 HA GLN 32 HA GLN 32 -2.568 -7.543 1.512 196 1HB GLN 32 2HB GLN 32 -0.217 -8.893 2.846 197 2HB GLN 32 1HB GLN 32 -1.566 -9.715 2.135 198 1HG GLN 32 2HG GLN 32 0.314 -9.727 0.541 199 2HG GLN 32 1HG GLN 32 -0.931 -8.673 -0.099 200 1HE2 GLN 32 1HE2 GLN 32 1.660 -8.106 2.353 201 2HE2 GLN 32 2HE2 GLN 32 2.317 -6.755 1.560 202 H LEU 33 H LEU 33 -4.344 -8.010 2.739 203 HA LEU 33 HA LEU 33 -4.309 -7.332 5.588 204 1HB LEU 33 2HB LEU 33 -6.300 -7.010 3.875 205 2HB LEU 33 1HB LEU 33 -6.593 -8.711 4.086 206 HG LEU 33 HG LEU 33 -6.647 -8.210 6.651 207 1HD1 LEU 33 1HD1 LEU 33 -6.925 -5.386 5.551 208 2HD1 LEU 33 2HD1 LEU 33 -5.580 -5.968 6.516 209 3HD1 LEU 33 3HD1 LEU 33 -7.181 -5.838 7.222 210 1HD2 LEU 33 1HD2 LEU 33 -8.978 -7.446 6.622 211 2HD2 LEU 33 2HD2 LEU 33 -8.713 -8.689 5.410 212 3HD2 LEU 33 3HD2 LEU 33 -8.826 -7.000 4.930 213 H VAL 34 H VAL 34 -2.704 -8.937 6.203 214 HA VAL 34 HA VAL 34 -3.573 -11.777 6.149 215 HB VAL 34 HB VAL 34 -1.326 -11.286 5.381 216 1HG1 VAL 34 1HG1 VAL 34 -0.824 -10.268 8.203 217 2HG1 VAL 34 2HG1 VAL 34 -0.864 -9.286 6.743 218 3HG1 VAL 34 3HG1 VAL 34 0.395 -10.495 6.976 219 1HG2 VAL 34 1HG2 VAL 34 -0.085 -12.908 6.796 220 2HG2 VAL 34 2HG2 VAL 34 -1.710 -13.478 6.459 221 3HG2 VAL 34 3HG2 VAL 34 -1.326 -12.798 8.031 222 H ALA 35 H ALA 35 -2.668 -9.262 8.425 223 HA ALA 35 HA ALA 35 -3.090 -10.917 10.709 224 1HB ALA 35 1HB ALA 35 -2.491 -8.816 11.951 225 2HB ALA 35 2HB ALA 35 -2.491 -7.964 10.412 226 3HB ALA 35 3HB ALA 35 -1.334 -9.244 10.702 227 H GLN 36 H GLN 36 -5.355 -10.955 9.315 228 HA GLN 36 HA GLN 36 -7.632 -10.925 9.514 229 1HB GLN 36 2HB GLN 36 -7.128 -9.651 12.250 230 2HB GLN 36 1HB GLN 36 -8.632 -10.354 11.702 231 1HG GLN 36 2HG GLN 36 -7.578 -12.572 11.469 232 2HG GLN 36 1HG GLN 36 -6.015 -11.906 11.923 233 1HE2 GLN 36 1HE2 GLN 36 -9.336 -12.405 13.172 234 2HE2 GLN 36 2HE2 GLN 36 -8.879 -12.439 14.807 235 H ARG 37 H ARG 37 -6.788 -7.915 11.149 236 HA ARG 37 HA ARG 37 -8.504 -6.373 9.245 237 1HB ARG 37 2HB ARG 37 -7.940 -5.905 12.196 238 2HB ARG 37 1HB ARG 37 -8.939 -4.876 11.191 239 1HG ARG 37 2HG ARG 37 -9.489 -7.836 11.703 240 2HG ARG 37 1HG ARG 37 -10.132 -6.567 12.712 241 1HD ARG 37 2HD ARG 37 -10.575 -6.691 9.713 242 2HD ARG 37 1HD ARG 37 -11.712 -7.334 10.896 243 HE ARG 37 HE ARG 37 -11.205 -4.505 10.320 244 1HH1 ARG 37 2HH1 ARG 37 -12.347 -6.820 12.640 245 2HH1 ARG 37 1HH1 ARG 37 -13.306 -5.661 13.495 246 1HH2 ARG 37 1HH2 ARG 37 -12.427 -3.011 11.421 247 2HH2 ARG 37 2HH2 ARG 37 -13.355 -3.492 12.800 248 H ARG 38 H ARG 38 -5.433 -6.844 10.581 249 HA ARG 38 HA ARG 38 -4.434 -4.168 9.831 250 1HB ARG 38 2HB ARG 38 -3.300 -6.449 11.476 251 2HB ARG 38 1HB ARG 38 -2.333 -5.088 10.997 252 1HG ARG 38 2HG ARG 38 -3.160 -4.749 13.279 253 2HG ARG 38 1HG ARG 38 -3.951 -3.591 12.237 254 1HD ARG 38 2HD ARG 38 -6.002 -5.038 12.203 255 2HD ARG 38 1HD ARG 38 -5.185 -6.197 13.241 256 HE ARG 38 HE ARG 38 -5.497 -4.717 15.051 257 1HH1 ARG 38 2HH1 ARG 38 -6.200 -3.172 12.024 258 2HH1 ARG 38 1HH1 ARG 38 -6.903 -1.779 12.771 259 1HH2 ARG 38 1HH2 ARG 38 -6.388 -2.954 16.014 260 2HH2 ARG 38 2HH2 ARG 38 -7.010 -1.651 15.057 261 H CYS 39 H CYS 39 -3.099 -3.857 8.234 262 HA CYS 39 HA CYS 39 -2.601 -6.038 6.311 263 1HB CYS 39 2HB CYS 39 -2.307 -3.038 6.053 264 2HB CYS 39 1HB CYS 39 -2.256 -4.217 4.754 265 H GLU 40 H GLU 40 -0.551 -6.516 5.435 266 HA GLU 40 HA GLU 40 1.756 -5.658 7.062 267 1HB GLU 40 2HB GLU 40 2.736 -7.727 6.458 268 2HB GLU 40 1HB GLU 40 1.137 -8.084 7.069 269 1HG GLU 40 2HG GLU 40 0.317 -8.068 4.655 270 2HG GLU 40 1HG GLU 40 1.967 -7.845 4.138 271 H ASP 41 H ASP 41 3.597 -5.165 6.179 272 HA ASP 41 HA ASP 41 3.653 -4.114 3.434 273 1HB ASP 41 2HB ASP 41 4.480 -2.693 5.389 274 2HB ASP 41 1HB ASP 41 5.661 -3.920 5.722 275 H ILE 42 H ILE 42 5.662 -4.367 2.280 276 HA ILE 42 HA ILE 42 6.680 -7.093 2.340 277 HB ILE 42 HB ILE 42 6.603 -4.986 0.096 278 1HG1 ILE 42 2HG1 ILE 42 4.947 -7.538 0.455 279 2HG1 ILE 42 1HG1 ILE 42 4.347 -5.912 0.700 280 1HG2 ILE 42 1HG2 ILE 42 7.403 -6.838 -1.391 281 2HG2 ILE 42 2HG2 ILE 42 7.462 -7.921 -0.010 282 3HG2 ILE 42 3HG2 ILE 42 8.546 -6.542 -0.099 283 1HD1 ILE 42 1HD1 ILE 42 5.358 -7.009 -1.956 284 2HD1 ILE 42 2HD1 ILE 42 4.769 -5.376 -1.684 285 3HD1 ILE 42 3HD1 ILE 42 3.683 -6.745 -1.515 286 H ASP 43 H ASP 43 8.771 -7.080 3.276 287 HA ASP 43 HA ASP 43 10.140 -4.427 3.454 288 1HB ASP 43 2HB ASP 43 9.710 -5.846 5.506 289 2HB ASP 43 1HB ASP 43 10.860 -7.013 4.878 290 H GLU 44 H GLU 44 11.535 -3.950 2.042 291 HA GLU 44 HA GLU 44 12.856 -5.859 0.304 292 1HB GLU 44 2HB GLU 44 13.259 -2.870 0.493 293 2HB GLU 44 1HB GLU 44 13.667 -3.907 -0.849 294 1HG GLU 44 2HG GLU 44 11.752 -2.684 -1.386 295 2HG GLU 44 1HG GLU 44 11.216 -4.341 -1.235 296 H CYS 45 H CYS 45 13.632 -3.927 3.126 297 HA CYS 45 HA CYS 45 16.411 -3.804 2.835 298 1HB CYS 45 2HB CYS 45 14.694 -3.801 5.331 299 2HB CYS 45 1HB CYS 45 16.380 -3.486 5.324 300 H GLN 46 H GLN 46 14.618 -5.719 5.021 301 HA GLN 46 HA GLN 46 16.446 -7.460 6.078 302 1HB GLN 46 2HB GLN 46 13.587 -8.074 5.222 303 2HB GLN 46 1HB GLN 46 14.510 -9.043 6.346 304 1HG GLN 46 2HG GLN 46 13.850 -6.101 6.766 305 2HG GLN 46 1HG GLN 46 12.987 -7.429 7.529 306 1HE2 GLN 46 1HE2 GLN 46 14.432 -8.912 8.915 307 2HE2 GLN 46 2HE2 GLN 46 15.710 -8.182 9.763 308 H ASP 47 H ASP 47 14.720 -7.895 3.054 309 HA ASP 47 HA ASP 47 16.054 -10.323 2.377 310 1HB ASP 47 2HB ASP 47 13.736 -9.882 1.615 311 2HB ASP 47 1HB ASP 47 14.280 -8.469 0.730 312 HA PRO 48 HA PRO 48 19.545 -8.152 0.579 313 1HB PRO 48 2HB PRO 48 20.650 -10.165 -0.926 314 2HB PRO 48 1HB PRO 48 20.753 -10.146 0.816 315 1HG PRO 48 2HG PRO 48 18.838 -11.656 -0.914 316 2HG PRO 48 1HG PRO 48 19.730 -12.204 0.515 317 1HD PRO 48 2HD PRO 48 17.131 -11.475 0.612 318 2HD PRO 48 1HD PRO 48 18.237 -11.251 1.977 319 H ASP 49 H ASP 49 18.146 -6.758 -0.542 320 HA ASP 49 HA ASP 49 18.156 -7.136 -3.477 321 1HB ASP 49 2HB ASP 49 15.928 -7.852 -2.716 322 2HB ASP 49 1HB ASP 49 15.750 -6.374 -1.787 323 H THR 50 H THR 50 17.766 -4.960 -0.739 324 HA THR 50 HA THR 50 17.856 -2.541 -2.281 325 HB THR 50 HB THR 50 18.135 -1.528 0.078 326 HG1 THR 50 1HG THR 50 19.081 -3.883 0.536 327 1HG2 THR 50 1HG2 THR 50 16.014 -3.710 -0.190 328 2HG2 THR 50 2HG2 THR 50 15.846 -2.098 -0.852 329 3HG2 THR 50 3HG2 THR 50 15.918 -2.326 0.887 330 H CYS 51 H CYS 51 20.158 -2.588 0.330 331 HA CYS 51 HA CYS 51 22.369 -2.364 -1.647 332 1HB CYS 51 2HB CYS 51 21.686 -0.788 0.807 333 2HB CYS 51 1HB CYS 51 23.217 -0.679 0.006 334 H SER 52 H SER 52 24.552 -2.380 -0.439 335 HA SER 52 HA SER 52 25.352 -4.863 0.163 336 1HB SER 52 2HB SER 52 26.385 -2.262 1.334 337 2HB SER 52 1HB SER 52 27.300 -3.779 1.298 338 HG SER 52 HG SER 52 27.724 -3.319 -0.687 339 H GLN 53 H GLN 53 24.663 -2.614 2.804 340 HA GLN 53 HA GLN 53 24.005 -4.980 4.518 341 1HB GLN 53 2HB GLN 53 25.697 -2.583 5.280 342 2HB GLN 53 1HB GLN 53 25.119 -3.765 6.441 343 1HG GLN 53 2HG GLN 53 26.911 -4.368 4.056 344 2HG GLN 53 1HG GLN 53 27.430 -4.238 5.734 345 1HE2 GLN 53 1HE2 GLN 53 26.634 -6.503 3.428 346 2HE2 GLN 53 2HE2 GLN 53 26.141 -7.770 4.443 347 H LEU 54 H LEU 54 24.023 -1.715 5.842 348 HA LEU 54 HA LEU 54 21.405 -2.093 6.803 349 1HB LEU 54 2HB LEU 54 22.986 0.453 6.492 350 2HB LEU 54 1HB LEU 54 21.493 0.297 7.386 351 HG LEU 54 HG LEU 54 24.164 -0.907 8.072 352 1HD1 LEU 54 1HD1 LEU 54 23.617 1.450 8.692 353 2HD1 LEU 54 2HD1 LEU 54 23.684 0.424 10.126 354 3HD1 LEU 54 3HD1 LEU 54 22.133 0.887 9.436 355 1HD2 LEU 54 1HD2 LEU 54 22.384 -2.631 8.469 356 2HD2 LEU 54 2HD2 LEU 54 21.462 -1.434 9.374 357 3HD2 LEU 54 3HD2 LEU 54 23.027 -1.988 9.970 358 H CYS 55 H CYS 55 19.773 -0.901 6.737 359 HA CYS 55 HA CYS 55 18.900 0.667 4.422 360 1HB CYS 55 2HB CYS 55 18.835 -1.632 3.508 361 2HB CYS 55 1HB CYS 55 17.896 -2.175 4.832 362 H VAL 56 H VAL 56 16.419 0.994 4.606 363 HA VAL 56 HA VAL 56 15.363 0.872 7.353 364 HB VAL 56 HB VAL 56 16.653 2.962 7.396 365 1HG1 VAL 56 1HG1 VAL 56 16.819 3.473 4.988 366 2HG1 VAL 56 2HG1 VAL 56 16.227 4.856 5.880 367 3HG1 VAL 56 3HG1 VAL 56 15.117 3.897 4.928 368 1HG2 VAL 56 1HG2 VAL 56 14.840 4.588 7.909 369 2HG2 VAL 56 2HG2 VAL 56 14.492 2.999 8.568 370 3HG2 VAL 56 3HG2 VAL 56 13.675 3.545 7.115 371 H ASN 57 H ASN 57 13.756 -0.319 6.770 372 HA ASN 57 HA ASN 57 12.041 0.193 4.459 373 1HB ASN 57 2HB ASN 57 12.671 -2.120 5.088 374 2HB ASN 57 1HB ASN 57 11.899 -1.892 6.649 375 1HD2 ASN 57 1HD2 ASN 57 10.101 -3.173 6.629 376 2HD2 ASN 57 2HD2 ASN 57 8.940 -3.214 5.397 377 H LEU 58 H LEU 58 9.818 0.145 4.622 378 HA LEU 58 HA LEU 58 8.111 0.760 6.809 379 1HB LEU 58 2HB LEU 58 7.606 3.129 6.455 380 2HB LEU 58 1HB LEU 58 9.285 2.978 6.849 381 HG LEU 58 HG LEU 58 8.332 3.270 3.971 382 1HD1 LEU 58 1HD1 LEU 58 8.994 5.659 4.234 383 2HD1 LEU 58 2HD1 LEU 58 9.367 5.388 5.930 384 3HD1 LEU 58 3HD1 LEU 58 7.707 5.269 5.361 385 1HD2 LEU 58 1HD2 LEU 58 10.673 3.962 3.650 386 2HD2 LEU 58 2HD2 LEU 58 10.596 2.336 4.294 387 3HD2 LEU 58 3HD2 LEU 58 11.008 3.684 5.347 388 H GLU 59 H GLU 59 6.359 2.397 5.370 389 HA GLU 59 HA GLU 59 5.205 0.355 3.677 390 1HB GLU 59 2HB GLU 59 3.753 1.861 5.105 391 2HB GLU 59 1HB GLU 59 4.274 3.246 4.169 392 1HG GLU 59 2HG GLU 59 3.121 2.387 2.146 393 2HG GLU 59 1HG GLU 59 2.720 0.894 2.942 394 H GLY 60 H GLY 60 6.465 -0.105 2.254 395 1HA GLY 60 2HA GLY 60 7.280 -0.258 0.162 396 2HA GLY 60 1HA GLY 60 5.966 0.818 -0.277 397 H GLY 61 H GLY 61 7.532 2.574 1.867 398 1HA GLY 61 2HA GLY 61 8.969 4.184 -0.127 399 2HA GLY 61 1HA GLY 61 8.643 4.626 1.542 400 H TYR 62 H TYR 62 9.958 1.667 1.530 401 HA TYR 62 HA TYR 62 12.190 2.010 3.024 402 1HB TYR 62 2HB TYR 62 13.089 -0.073 2.206 403 2HB TYR 62 1HB TYR 62 11.337 -0.170 2.120 404 HD1 TYR 62 1HD TYR 62 14.404 -0.297 0.285 405 HD2 TYR 62 2HD TYR 62 10.225 0.345 -0.204 406 HE1 TYR 62 1HE TYR 62 14.640 -0.691 -2.105 407 HE2 TYR 62 2HE TYR 62 10.461 -0.047 -2.611 408 HH TYR 62 HH TYR 62 12.816 -1.574 -4.004 409 H LYS 63 H LYS 63 14.253 2.682 2.969 410 HA LYS 63 HA LYS 63 15.466 3.455 0.390 411 1HB LYS 63 2HB LYS 63 15.631 4.955 3.011 412 2HB LYS 63 1HB LYS 63 16.416 5.302 1.514 413 1HG LYS 63 2HG LYS 63 14.242 5.747 0.395 414 2HG LYS 63 1HG LYS 63 13.400 5.297 1.862 415 1HD LYS 63 2HD LYS 63 13.418 7.728 1.657 416 2HD LYS 63 1HD LYS 63 14.338 7.241 3.057 417 1HE LYS 63 2HE LYS 63 15.580 7.999 0.378 418 2HE LYS 63 1HE LYS 63 15.438 9.086 1.750 419 1HZ LYS 63 1HZ LYS 63 16.639 6.925 2.823 420 2HZ LYS 63 2HZ LYS 63 17.426 8.332 2.289 421 3HZ LYS 63 3HZ LYS 63 17.317 6.982 1.265 422 H CYS 64 H CYS 64 17.738 3.471 0.533 423 HA CYS 64 HA CYS 64 18.817 1.301 2.179 424 1HB CYS 64 2HB CYS 64 19.936 2.970 -0.032 425 2HB CYS 64 1HB CYS 64 20.930 1.889 0.866 426 H GLN 65 H GLN 65 20.930 1.456 2.981 427 HA GLN 65 HA GLN 65 21.992 3.971 4.112 428 1HB GLN 65 2HB GLN 65 21.282 1.619 5.873 429 2HB GLN 65 1HB GLN 65 22.016 3.103 6.405 430 1HG GLN 65 2HG GLN 65 19.962 4.377 5.710 431 2HG GLN 65 1HG GLN 65 19.175 2.851 5.332 432 1HE2 GLN 65 1HE2 GLN 65 19.900 1.215 7.464 433 2HE2 GLN 65 2HE2 GLN 65 19.328 1.877 8.918 434 H CYS 66 H CYS 66 23.855 2.707 5.757 435 HA CYS 66 HA CYS 66 25.179 0.617 4.188 436 1HB CYS 66 2HB CYS 66 26.451 3.221 4.908 437 2HB CYS 66 1HB CYS 66 27.019 1.950 3.878 438 H GLU 67 H GLU 67 27.072 -0.205 5.359 439 HA GLU 67 HA GLU 67 26.522 -0.200 8.250 440 1HB GLU 67 2HB GLU 67 26.991 -2.328 6.987 441 2HB GLU 67 1HB GLU 67 28.614 -1.756 6.667 442 1HG GLU 67 2HG GLU 67 28.533 -3.327 8.611 443 2HG GLU 67 1HG GLU 67 29.127 -1.759 9.108 444 H GLU 68 H GLU 68 27.163 2.193 7.953 445 HA GLU 68 HA GLU 68 28.504 3.938 8.578 446 1HB GLU 68 2HB GLU 68 29.991 1.694 9.986 447 2HB GLU 68 1HB GLU 68 30.264 3.386 10.286 448 1HG GLU 68 2HG GLU 68 27.869 3.636 10.985 449 2HG GLU 68 1HG GLU 68 27.558 1.959 10.570 450 H GLY 69 H GLY 69 31.081 1.621 8.338 451 1HA GLY 69 2HA GLY 69 33.037 3.305 7.291 452 2HA GLY 69 1HA GLY 69 33.124 1.559 7.315 453 H PHE 70 H PHE 70 30.413 2.162 5.622 454 HA PHE 70 HA PHE 70 31.729 1.556 3.184 455 1HB PHE 70 2HB PHE 70 28.916 2.170 3.899 456 2HB PHE 70 1HB PHE 70 29.337 1.726 2.260 457 HD1 PHE 70 1HD PHE 70 27.536 -0.067 2.734 458 HD2 PHE 70 2HD PHE 70 31.338 -0.086 4.670 459 HE1 PHE 70 1HE PHE 70 27.265 -2.423 3.294 460 HE2 PHE 70 2HE PHE 70 31.058 -2.437 5.212 461 HZ PHE 70 HZ PHE 70 29.035 -3.624 4.524 462 H GLN 71 H GLN 71 31.491 2.703 1.163 463 HA GLN 71 HA GLN 71 31.031 5.590 1.356 464 1HB GLN 71 2HB GLN 71 33.471 4.092 0.497 465 2HB GLN 71 1HB GLN 71 33.076 5.506 -0.418 466 1HG GLN 71 2HG GLN 71 33.402 5.445 2.632 467 2HG GLN 71 1HG GLN 71 34.608 6.062 1.503 468 1HE2 GLN 71 1HE2 GLN 71 33.499 7.787 3.435 469 2HE2 GLN 71 2HE2 GLN 71 32.519 8.939 2.664 470 H LEU 72 H LEU 72 31.241 6.525 -0.852 471 HA LEU 72 HA LEU 72 29.118 5.238 -2.424 472 1HB LEU 72 2HB LEU 72 29.184 7.698 -2.141 473 2HB LEU 72 1HB LEU 72 30.697 7.764 -3.019 474 HG LEU 72 HG LEU 72 29.526 6.706 -5.013 475 1HD1 LEU 72 1HD1 LEU 72 27.054 6.672 -5.069 476 2HD1 LEU 72 2HD1 LEU 72 26.998 7.147 -3.380 477 3HD1 LEU 72 3HD1 LEU 72 27.653 5.583 -3.838 478 1HD2 LEU 72 1HD2 LEU 72 29.804 9.167 -4.854 479 2HD2 LEU 72 2HD2 LEU 72 28.290 9.289 -3.968 480 3HD2 LEU 72 3HD2 LEU 72 28.289 8.765 -5.648 481 H ASP 73 H ASP 73 29.723 3.509 -3.490 482 HA ASP 73 HA ASP 73 32.293 3.238 -4.863 483 1HB ASP 73 2HB ASP 73 30.987 1.273 -3.869 484 2HB ASP 73 1HB ASP 73 29.789 1.490 -5.130 485 HA PRO 74 HA PRO 74 30.484 5.420 -8.379 486 1HB PRO 74 2HB PRO 74 32.596 5.492 -10.010 487 2HB PRO 74 1HB PRO 74 32.610 6.382 -8.505 488 1HG PRO 74 2HG PRO 74 33.807 3.693 -9.062 489 2HG PRO 74 1HG PRO 74 34.527 5.102 -8.262 490 1HD PRO 74 2HD PRO 74 33.449 3.020 -6.884 491 2HD PRO 74 1HD PRO 74 33.467 4.682 -6.262 492 H HIS 75 H HIS 75 30.085 5.083 -10.626 493 HA HIS 75 HA HIS 75 29.241 3.858 -12.423 494 1HB HIS 75 2HB HIS 75 31.399 1.868 -11.596 495 2HB HIS 75 1HB HIS 75 30.563 1.893 -13.143 496 HD1 HIS 75 1HD HIS 75 33.038 3.867 -11.202 497 HD2 HIS 75 2HD HIS 75 31.419 3.897 -14.950 498 HE1 HIS 75 1HE HIS 75 34.369 5.472 -12.522 499 H THR 76 H THR 76 28.760 3.045 -9.429 500 HA THR 76 HA THR 76 26.763 0.922 -10.007 501 HB THR 76 HB THR 76 27.455 -0.219 -7.835 502 HG1 THR 76 1HG THR 76 29.486 0.541 -7.035 503 1HG2 THR 76 1HG2 THR 76 29.626 -1.168 -8.626 504 2HG2 THR 76 2HG2 THR 76 29.864 0.181 -9.719 505 3HG2 THR 76 3HG2 THR 76 28.589 -0.986 -10.031 506 H LYS 77 H LYS 77 28.032 3.294 -7.906 507 HA LYS 77 HA LYS 77 27.114 4.951 -6.541 508 1HB LYS 77 2HB LYS 77 24.578 4.034 -7.656 509 2HB LYS 77 1HB LYS 77 24.755 5.496 -6.725 510 1HG LYS 77 2HG LYS 77 26.371 6.363 -8.434 511 2HG LYS 77 1HG LYS 77 26.131 4.912 -9.395 512 1HD LYS 77 2HD LYS 77 23.707 5.446 -9.605 513 2HD LYS 77 1HD LYS 77 23.939 6.897 -8.642 514 1HE LYS 77 2HE LYS 77 25.525 7.773 -10.357 515 2HE LYS 77 1HE LYS 77 25.282 6.318 -11.318 516 1HZ LYS 77 1HZ LYS 77 23.182 8.265 -10.562 517 2HZ LYS 77 2HZ LYS 77 22.946 6.858 -11.486 518 3HZ LYS 77 3HZ LYS 77 23.911 8.120 -12.090 519 H ALA 78 H ALA 78 26.683 1.747 -6.150 520 HA ALA 78 HA ALA 78 24.934 1.738 -3.795 521 1HB ALA 78 1HB ALA 78 24.980 -0.178 -5.380 522 2HB ALA 78 2HB ALA 78 25.474 -0.694 -3.771 523 3HB ALA 78 3HB ALA 78 26.681 -0.437 -5.024 524 H CYS 79 H CYS 79 25.642 1.653 -1.671 525 HA CYS 79 HA CYS 79 28.493 2.279 -1.275 526 1HB CYS 79 2HB CYS 79 27.866 2.766 1.045 527 2HB CYS 79 1HB CYS 79 26.936 3.687 -0.101 528 H LYS 80 H LYS 80 29.930 1.091 -0.358 529 HA LYS 80 HA LYS 80 29.239 -1.334 1.165 530 1HB LYS 80 2HB LYS 80 30.657 -2.726 -0.140 531 2HB LYS 80 1HB LYS 80 29.286 -2.194 -1.081 532 1HG LYS 80 2HG LYS 80 31.173 -2.114 -2.591 533 2HG LYS 80 1HG LYS 80 30.754 -0.462 -2.211 534 1HD LYS 80 2HD LYS 80 32.663 -0.286 -0.656 535 2HD LYS 80 1HD LYS 80 33.035 -1.989 -0.870 536 1HE LYS 80 2HE LYS 80 33.504 -1.458 -3.289 537 2HE LYS 80 1HE LYS 80 33.113 0.229 -2.958 538 1HZ LYS 80 1HZ LYS 80 35.371 -1.362 -1.945 539 2HZ LYS 80 2HZ LYS 80 34.873 0.059 -1.161 540 3HZ LYS 80 3HZ LYS 80 35.396 0.118 -2.776 541 H ALA 81 H ALA 81 31.440 -2.368 1.868 542 HA ALA 81 HA ALA 81 32.881 -0.766 3.576 543 1HB ALA 81 1HB ALA 81 33.075 -3.212 3.516 544 2HB ALA 81 2HB ALA 81 34.671 -2.479 3.476 545 3HB ALA 81 3HB ALA 81 33.962 -3.123 2.003 546 H VAL 82 H VAL 82 33.797 1.142 3.178 547 HA VAL 82 HA VAL 82 34.742 2.228 0.860 548 HB VAL 82 HB VAL 82 34.586 3.461 2.983 549 1HG1 VAL 82 1HG1 VAL 82 37.107 1.929 3.800 550 2HG1 VAL 82 2HG1 VAL 82 35.524 1.677 4.495 551 3HG1 VAL 82 3HG1 VAL 82 36.345 3.208 4.732 552 1HG2 VAL 82 1HG2 VAL 82 37.415 3.570 1.847 553 2HG2 VAL 82 2HG2 VAL 82 36.652 4.820 2.811 554 3HG2 VAL 82 3HG2 VAL 82 36.028 4.435 1.217 Start of MODEL 18 1 H GLY 1 H GLY 1 -26.955 -6.953 4.652 2 1HA GLY 1 2HA GLY 1 -26.408 -6.410 1.767 3 2HA GLY 1 1HA GLY 1 -28.028 -6.388 2.460 4 H THR 2 H THR 2 -26.612 -5.037 4.888 5 HA THR 2 HA THR 2 -27.419 -2.426 4.393 6 HB THR 2 HB THR 2 -27.187 -3.271 6.653 7 HG1 THR 2 1HG THR 2 -26.963 -1.043 6.230 8 1HG2 THR 2 1HG2 THR 2 -24.915 -3.487 7.653 9 2HG2 THR 2 2HG2 THR 2 -24.173 -3.011 6.129 10 3HG2 THR 2 3HG2 THR 2 -24.999 -4.559 6.257 11 H ASN 3 H ASN 3 -26.188 -0.522 4.558 12 HA ASN 3 HA ASN 3 -23.755 -0.520 2.834 13 1HB ASN 3 2HB ASN 3 -25.864 0.601 2.055 14 2HB ASN 3 1HB ASN 3 -25.766 1.684 3.427 15 1HD2 ASN 3 1HD2 ASN 3 -25.737 3.080 1.181 16 2HD2 ASN 3 2HD2 ASN 3 -24.181 3.582 0.724 17 H GLU 4 H GLU 4 -22.723 -1.171 4.856 18 HA GLU 4 HA GLU 4 -22.505 0.554 7.122 19 1HB GLU 4 2HB GLU 4 -20.422 -0.940 7.534 20 2HB GLU 4 1HB GLU 4 -21.994 -1.694 7.535 21 1HG GLU 4 2HG GLU 4 -20.208 -2.953 6.264 22 2HG GLU 4 1HG GLU 4 -21.655 -2.639 5.335 23 H CYS 5 H CYS 5 -21.327 1.045 4.059 24 HA CYS 5 HA CYS 5 -18.754 2.081 4.533 25 1HB CYS 5 2HB CYS 5 -20.788 2.772 2.417 26 2HB CYS 5 1HB CYS 5 -19.136 3.283 2.386 27 H LEU 6 H LEU 6 -21.947 3.322 4.508 28 HA LEU 6 HA LEU 6 -21.716 6.059 4.654 29 1HB LEU 6 2HB LEU 6 -23.661 4.283 6.152 30 2HB LEU 6 1HB LEU 6 -23.898 5.974 5.797 31 HG LEU 6 HG LEU 6 -23.617 3.727 3.739 32 1HD1 LEU 6 1HD1 LEU 6 -26.012 4.204 3.283 33 2HD1 LEU 6 2HD1 LEU 6 -26.016 5.402 4.569 34 3HD1 LEU 6 3HD1 LEU 6 -25.761 3.705 4.949 35 1HD2 LEU 6 1HD2 LEU 6 -24.227 5.450 2.040 36 2HD2 LEU 6 2HD2 LEU 6 -22.736 5.904 2.833 37 3HD2 LEU 6 3HD2 LEU 6 -24.239 6.691 3.282 38 H ASP 7 H ASP 7 -21.588 3.723 7.238 39 HA ASP 7 HA ASP 7 -20.799 5.784 9.262 40 1HB ASP 7 2HB ASP 7 -22.690 4.070 9.692 41 2HB ASP 7 1HB ASP 7 -21.446 2.833 9.580 42 H ASN 8 H ASN 8 -19.301 4.047 10.816 43 HA ASN 8 HA ASN 8 -16.720 4.306 9.871 44 1HB ASN 8 2HB ASN 8 -17.913 2.409 11.739 45 2HB ASN 8 1HB ASN 8 -16.178 2.604 11.651 46 1HD2 ASN 8 1HD2 ASN 8 -19.167 4.043 12.804 47 2HD2 ASN 8 2HD2 ASN 8 -18.459 5.380 13.572 48 H ASN 9 H ASN 9 -15.781 3.349 8.176 49 HA ASN 9 HA ASN 9 -16.674 1.633 6.302 50 1HB ASN 9 2HB ASN 9 -14.517 2.740 6.111 51 2HB ASN 9 1HB ASN 9 -13.870 1.792 7.435 52 1HD2 ASN 9 1HD2 ASN 9 -12.169 1.272 5.764 53 2HD2 ASN 9 2HD2 ASN 9 -12.453 -0.039 4.732 54 H GLY 10 H GLY 10 -18.064 0.084 7.300 55 1HA GLY 10 2HA GLY 10 -18.630 -2.056 8.003 56 2HA GLY 10 1HA GLY 10 -17.090 -2.524 7.303 57 H GLY 11 H GLY 11 -16.664 -0.223 9.646 58 1HA GLY 11 2HA GLY 11 -16.835 -0.918 12.165 59 2HA GLY 11 1HA GLY 11 -15.691 -2.166 11.664 60 H CYS 12 H CYS 12 -14.240 -0.644 9.794 61 HA CYS 12 HA CYS 12 -12.592 1.022 11.592 62 1HB CYS 12 2HB CYS 12 -10.909 0.707 9.970 63 2HB CYS 12 1HB CYS 12 -11.694 -0.846 10.158 64 H SER 13 H SER 13 -11.562 2.267 8.965 65 HA SER 13 HA SER 13 -13.696 3.943 7.992 66 1HB SER 13 2HB SER 13 -12.728 6.108 8.957 67 2HB SER 13 1HB SER 13 -13.263 5.019 10.243 68 HG SER 13 HG SER 13 -11.272 4.716 10.804 69 H HIS 14 H HIS 14 -11.807 2.229 6.876 70 HA HIS 14 HA HIS 14 -9.957 3.966 5.349 71 1HB HIS 14 2HB HIS 14 -10.208 0.933 5.688 72 2HB HIS 14 1HB HIS 14 -8.985 1.712 4.737 73 HD1 HIS 14 1HD HIS 14 -10.130 1.665 8.186 74 HD2 HIS 14 2HD HIS 14 -6.707 2.452 6.150 75 HE1 HIS 14 1HE HIS 14 -8.357 2.013 9.924 76 H VAL 15 H VAL 15 -10.576 1.260 3.613 77 HA VAL 15 HA VAL 15 -12.653 2.575 1.927 78 HB VAL 15 HB VAL 15 -10.399 2.238 0.981 79 1HG1 VAL 15 1HG1 VAL 15 -9.598 -0.011 0.343 80 2HG1 VAL 15 2HG1 VAL 15 -10.896 -0.736 1.258 81 3HG1 VAL 15 3HG1 VAL 15 -9.688 0.242 2.075 82 1HG2 VAL 15 1HG2 VAL 15 -11.192 1.122 -1.175 83 2HG2 VAL 15 2HG2 VAL 15 -12.397 2.238 -0.555 84 3HG2 VAL 15 3HG2 VAL 15 -12.593 0.510 -0.315 85 H CYS 16 H CYS 16 -14.564 1.603 1.768 86 HA CYS 16 HA CYS 16 -14.990 -0.973 3.109 87 1HB CYS 16 2HB CYS 16 -17.291 -0.359 2.962 88 2HB CYS 16 1HB CYS 16 -16.418 1.053 3.420 89 H ASN 17 H ASN 17 -14.159 -2.556 1.926 90 HA ASN 17 HA ASN 17 -14.857 -2.773 -0.962 91 1HB ASN 17 2HB ASN 17 -12.568 -3.158 -0.402 92 2HB ASN 17 1HB ASN 17 -12.949 -4.197 0.936 93 1HD2 ASN 17 1HD2 ASN 17 -13.418 -6.424 0.420 94 2HD2 ASN 17 2HD2 ASN 17 -13.317 -7.056 -1.148 95 H ASP 18 H ASP 18 -16.796 -2.818 -0.493 96 HA ASP 18 HA ASP 18 -18.367 -4.307 1.250 97 1HB ASP 18 2HB ASP 18 -18.985 -2.255 -0.162 98 2HB ASP 18 1HB ASP 18 -19.249 -3.359 -1.494 99 H LEU 19 H LEU 19 -18.059 -6.308 1.482 100 HA LEU 19 HA LEU 19 -18.030 -8.319 -0.549 101 1HB LEU 19 2HB LEU 19 -16.983 -8.183 1.896 102 2HB LEU 19 1HB LEU 19 -18.590 -8.584 2.416 103 HG LEU 19 HG LEU 19 -18.547 -10.713 1.168 104 1HD1 LEU 19 1HD1 LEU 19 -16.908 -9.942 -0.580 105 2HD1 LEU 19 2HD1 LEU 19 -16.355 -11.405 0.213 106 3HD1 LEU 19 3HD1 LEU 19 -15.674 -9.842 0.663 107 1HD2 LEU 19 1HD2 LEU 19 -16.950 -11.790 2.728 108 2HD2 LEU 19 2HD2 LEU 19 -17.872 -10.544 3.539 109 3HD2 LEU 19 3HD2 LEU 19 -16.216 -10.225 3.065 110 H LYS 20 H LYS 20 -19.749 -10.212 -0.145 111 HA LYS 20 HA LYS 20 -22.366 -9.005 -0.572 112 1HB LYS 20 2HB LYS 20 -23.102 -11.355 -0.897 113 2HB LYS 20 1HB LYS 20 -21.634 -11.019 -1.794 114 1HG LYS 20 2HG LYS 20 -20.277 -12.167 -0.041 115 2HG LYS 20 1HG LYS 20 -21.730 -12.484 0.885 116 1HD LYS 20 2HD LYS 20 -21.122 -14.484 -0.353 117 2HD LYS 20 1HD LYS 20 -22.655 -13.862 -0.926 118 1HE LYS 20 2HE LYS 20 -21.511 -12.831 -2.892 119 2HE LYS 20 1HE LYS 20 -19.964 -13.430 -2.302 120 1HZ LYS 20 1HZ LYS 20 -22.308 -15.065 -3.082 121 2HZ LYS 20 2HZ LYS 20 -20.851 -15.680 -2.459 122 3HZ LYS 20 3HZ LYS 20 -20.865 -14.883 -3.960 123 H ILE 21 H ILE 21 -20.776 -10.970 1.891 124 HA ILE 21 HA ILE 21 -22.497 -9.927 4.026 125 HB ILE 21 HB ILE 21 -22.025 -12.874 3.394 126 1HG1 ILE 21 2HG1 ILE 21 -24.627 -11.267 3.450 127 2HG1 ILE 21 1HG1 ILE 21 -23.836 -11.875 2.010 128 1HG2 ILE 21 1HG2 ILE 21 -23.438 -11.576 5.758 129 2HG2 ILE 21 2HG2 ILE 21 -21.896 -12.423 5.817 130 3HG2 ILE 21 3HG2 ILE 21 -23.361 -13.312 5.466 131 1HD1 ILE 21 1HD1 ILE 21 -25.693 -13.340 2.626 132 2HD1 ILE 21 2HD1 ILE 21 -24.989 -13.636 4.202 133 3HD1 ILE 21 3HD1 ILE 21 -24.169 -14.201 2.755 134 H GLY 22 H GLY 22 -20.967 -9.081 5.356 135 1HA GLY 22 2HA GLY 22 -19.280 -9.267 6.989 136 2HA GLY 22 1HA GLY 22 -18.671 -10.662 6.130 137 H TYR 23 H TYR 23 -19.445 -7.485 5.101 138 HA TYR 23 HA TYR 23 -17.727 -6.735 3.175 139 1HB TYR 23 2HB TYR 23 -18.239 -4.861 5.468 140 2HB TYR 23 1HB TYR 23 -18.028 -4.464 3.780 141 HD1 TYR 23 1HD TYR 23 -19.798 -5.451 2.075 142 HD2 TYR 23 2HD TYR 23 -20.398 -5.296 6.274 143 HE1 TYR 23 1HE TYR 23 -22.211 -5.670 1.737 144 HE2 TYR 23 2HE TYR 23 -22.817 -5.518 5.940 145 HH TYR 23 HH TYR 23 -24.424 -4.861 3.667 146 H GLU 24 H GLU 24 -15.785 -5.519 2.952 147 HA GLU 24 HA GLU 24 -13.764 -6.178 5.008 148 1HB GLU 24 2HB GLU 24 -13.485 -5.631 2.090 149 2HB GLU 24 1HB GLU 24 -12.197 -6.068 3.157 150 1HG GLU 24 2HG GLU 24 -14.607 -7.783 2.472 151 2HG GLU 24 1HG GLU 24 -12.977 -8.014 1.857 152 H CYS 25 H CYS 25 -12.056 -4.948 5.271 153 HA CYS 25 HA CYS 25 -12.286 -2.072 4.913 154 1HB CYS 25 2HB CYS 25 -12.667 -2.614 7.308 155 2HB CYS 25 1HB CYS 25 -11.231 -3.618 7.331 156 H LEU 26 H LEU 26 -11.056 -2.753 2.936 157 HA LEU 26 HA LEU 26 -8.331 -3.726 3.282 158 1HB LEU 26 2HB LEU 26 -9.610 -2.455 0.835 159 2HB LEU 26 1HB LEU 26 -8.226 -3.508 0.882 160 HG LEU 26 HG LEU 26 -11.062 -4.314 1.556 161 1HD1 LEU 26 1HD1 LEU 26 -10.869 -5.729 -0.493 162 2HD1 LEU 26 2HD1 LEU 26 -9.277 -5.067 -0.800 163 3HD1 LEU 26 3HD1 LEU 26 -10.684 -4.025 -0.871 164 1HD2 LEU 26 1HD2 LEU 26 -8.597 -6.067 1.525 165 2HD2 LEU 26 2HD2 LEU 26 -10.256 -6.619 1.719 166 3HD2 LEU 26 3HD2 LEU 26 -9.525 -5.606 2.949 167 H CYS 27 H CYS 27 -6.986 -2.178 1.502 168 HA CYS 27 HA CYS 27 -6.407 0.221 3.052 169 1HB CYS 27 2HB CYS 27 -4.959 -1.211 0.845 170 2HB CYS 27 1HB CYS 27 -4.382 0.259 1.585 171 HA PRO 28 HA PRO 28 -8.361 2.866 0.002 172 1HB PRO 28 2HB PRO 28 -7.414 5.247 0.955 173 2HB PRO 28 1HB PRO 28 -8.664 4.330 1.736 174 1HG PRO 28 2HG PRO 28 -5.795 4.513 2.469 175 2HG PRO 28 1HG PRO 28 -7.225 4.492 3.507 176 1HD PRO 28 2HD PRO 28 -5.654 2.307 3.051 177 2HD PRO 28 1HD PRO 28 -7.362 2.222 3.498 178 H ASP 29 H ASP 29 -5.177 3.430 1.058 179 HA ASP 29 HA ASP 29 -4.123 4.611 -1.380 180 1HB ASP 29 2HB ASP 29 -2.017 4.669 -0.055 181 2HB ASP 29 1HB ASP 29 -3.360 5.306 0.864 182 H GLY 30 H GLY 30 -1.722 3.657 -1.770 183 1HA GLY 30 2HA GLY 30 -2.107 1.299 -3.265 184 2HA GLY 30 1HA GLY 30 -0.604 2.161 -3.100 185 H PHE 31 H PHE 31 -0.486 1.817 -0.159 186 HA PHE 31 HA PHE 31 1.047 -0.548 -0.026 187 1HB PHE 31 2HB PHE 31 -0.358 0.965 2.209 188 2HB PHE 31 1HB PHE 31 0.974 -0.130 2.362 189 HD1 PHE 31 1HD PHE 31 2.848 0.378 0.454 190 HD2 PHE 31 2HD PHE 31 0.347 3.277 2.276 191 HE1 PHE 31 1HE PHE 31 4.500 2.129 -0.087 192 HE2 PHE 31 2HE PHE 31 1.985 5.023 1.731 193 HZ PHE 31 HZ PHE 31 4.091 4.415 0.555 194 H GLN 32 H GLN 32 0.797 -2.287 1.476 195 HA GLN 32 HA GLN 32 -1.740 -3.739 0.976 196 1HB GLN 32 2HB GLN 32 0.431 -4.883 0.528 197 2HB GLN 32 1HB GLN 32 0.896 -4.663 2.207 198 1HG GLN 32 2HG GLN 32 -1.042 -6.079 2.930 199 2HG GLN 32 1HG GLN 32 -1.507 -6.295 1.247 200 1HE2 GLN 32 1HE2 GLN 32 -0.298 -7.801 -0.011 201 2HE2 GLN 32 2HE2 GLN 32 0.931 -8.771 0.645 202 H LEU 33 H LEU 33 -2.935 -4.664 2.658 203 HA LEU 33 HA LEU 33 -2.935 -3.101 5.165 204 1HB LEU 33 2HB LEU 33 -5.052 -3.956 3.799 205 2HB LEU 33 1HB LEU 33 -4.714 -5.512 4.508 206 HG LEU 33 HG LEU 33 -4.695 -4.224 6.792 207 1HD1 LEU 33 1HD1 LEU 33 -6.087 -2.146 6.786 208 2HD1 LEU 33 2HD1 LEU 33 -6.155 -2.223 5.038 209 3HD1 LEU 33 3HD1 LEU 33 -4.618 -1.965 5.848 210 1HD2 LEU 33 1HD2 LEU 33 -6.465 -5.798 6.232 211 2HD2 LEU 33 2HD2 LEU 33 -7.309 -4.551 5.315 212 3HD2 LEU 33 3HD2 LEU 33 -7.123 -4.391 7.056 213 H VAL 34 H VAL 34 -0.647 -4.105 5.333 214 HA VAL 34 HA VAL 34 -0.475 -6.864 6.219 215 HB VAL 34 HB VAL 34 1.318 -5.891 4.923 216 1HG1 VAL 34 1HG1 VAL 34 1.731 -3.951 7.221 217 2HG1 VAL 34 2HG1 VAL 34 1.108 -3.546 5.627 218 3HG1 VAL 34 3HG1 VAL 34 2.759 -4.119 5.811 219 1HG2 VAL 34 1HG2 VAL 34 3.254 -6.465 6.369 220 2HG2 VAL 34 2HG2 VAL 34 1.963 -7.640 6.544 221 3HG2 VAL 34 3HG2 VAL 34 2.222 -6.428 7.787 222 H ALA 35 H ALA 35 -0.076 -3.739 7.810 223 HA ALA 35 HA ALA 35 0.151 -4.941 10.395 224 1HB ALA 35 1HB ALA 35 0.430 -2.552 11.124 225 2HB ALA 35 2HB ALA 35 0.083 -2.067 9.467 226 3HB ALA 35 3HB ALA 35 1.502 -3.024 9.818 227 H GLN 36 H GLN 36 -2.138 -5.836 9.668 228 HA GLN 36 HA GLN 36 -4.338 -6.165 10.255 229 1HB GLN 36 2HB GLN 36 -3.718 -4.097 12.416 230 2HB GLN 36 1HB GLN 36 -5.135 -5.115 12.385 231 1HG GLN 36 2HG GLN 36 -3.714 -7.150 12.452 232 2HG GLN 36 1HG GLN 36 -2.274 -6.137 12.512 233 1HE2 GLN 36 1HE2 GLN 36 -2.426 -4.372 14.361 234 2HE2 GLN 36 2HE2 GLN 36 -3.013 -4.935 15.852 235 H ARG 37 H ARG 37 -4.263 -2.699 11.034 236 HA ARG 37 HA ARG 37 -6.380 -2.220 8.959 237 1HB ARG 37 2HB ARG 37 -5.987 -0.785 11.624 238 2HB ARG 37 1HB ARG 37 -7.127 -0.295 10.402 239 1HG ARG 37 2HG ARG 37 -8.277 -1.425 12.205 240 2HG ARG 37 1HG ARG 37 -8.414 -2.363 10.737 241 1HD ARG 37 2HD ARG 37 -6.809 -3.970 11.510 242 2HD ARG 37 1HD ARG 37 -6.377 -2.988 12.917 243 HE ARG 37 HE ARG 37 -8.977 -3.274 13.387 244 1HH1 ARG 37 2HH1 ARG 37 -6.795 -5.684 12.149 245 2HH1 ARG 37 1HH1 ARG 37 -7.693 -6.987 12.844 246 1HH2 ARG 37 1HH2 ARG 37 -10.107 -4.900 14.242 247 2HH2 ARG 37 2HH2 ARG 37 -9.598 -6.544 14.037 248 H ARG 38 H ARG 38 -3.259 -1.708 9.826 249 HA ARG 38 HA ARG 38 -2.995 0.991 8.646 250 1HB ARG 38 2HB ARG 38 -1.135 -0.760 10.280 251 2HB ARG 38 1HB ARG 38 -0.626 0.734 9.557 252 1HG ARG 38 2HG ARG 38 -1.155 1.135 11.897 253 2HG ARG 38 1HG ARG 38 -2.430 1.880 10.963 254 1HD ARG 38 2HD ARG 38 -3.910 -0.115 11.434 255 2HD ARG 38 1HD ARG 38 -2.600 -0.829 12.355 256 HE ARG 38 HE ARG 38 -2.997 0.739 14.074 257 1HH1 ARG 38 2HH1 ARG 38 -4.830 1.482 11.218 258 2HH1 ARG 38 1HH1 ARG 38 -5.821 2.647 12.026 259 1HH2 ARG 38 1HH2 ARG 38 -4.237 2.210 15.107 260 2HH2 ARG 38 2HH2 ARG 38 -5.481 3.069 14.261 261 H CYS 39 H CYS 39 -2.326 1.182 6.680 262 HA CYS 39 HA CYS 39 -1.470 -1.178 5.177 263 1HB CYS 39 2HB CYS 39 -2.357 1.542 4.269 264 2HB CYS 39 1HB CYS 39 -2.037 0.175 3.220 265 H GLU 40 H GLU 40 0.565 -1.614 4.796 266 HA GLU 40 HA GLU 40 2.438 0.593 4.093 267 1HB GLU 40 2HB GLU 40 2.832 -0.163 6.499 268 2HB GLU 40 1HB GLU 40 3.154 -1.768 5.886 269 1HG GLU 40 2HG GLU 40 5.052 -0.975 4.548 270 2HG GLU 40 1HG GLU 40 4.715 0.690 4.951 271 H ASP 41 H ASP 41 4.144 -0.009 2.797 272 HA ASP 41 HA ASP 41 3.519 -1.944 0.741 273 1HB ASP 41 2HB ASP 41 4.741 0.152 0.169 274 2HB ASP 41 1HB ASP 41 6.010 -0.261 1.276 275 H ILE 42 H ILE 42 5.209 -3.478 0.001 276 HA ILE 42 HA ILE 42 5.648 -5.488 1.898 277 HB ILE 42 HB ILE 42 5.630 -5.880 -0.586 278 1HG1 ILE 42 2HG1 ILE 42 7.540 -7.431 -0.818 279 2HG1 ILE 42 1HG1 ILE 42 8.311 -6.748 0.594 280 1HG2 ILE 42 1HG2 ILE 42 7.597 -5.295 -1.976 281 2HG2 ILE 42 2HG2 ILE 42 8.341 -4.496 -0.604 282 3HG2 ILE 42 3HG2 ILE 42 6.864 -3.857 -1.303 283 1HD1 ILE 42 1HD1 ILE 42 7.131 -8.848 1.158 284 2HD1 ILE 42 2HD1 ILE 42 5.621 -8.194 0.544 285 3HD1 ILE 42 3HD1 ILE 42 6.353 -7.514 1.988 286 H ASP 43 H ASP 43 8.001 -6.262 2.595 287 HA ASP 43 HA ASP 43 9.501 -3.817 3.438 288 1HB ASP 43 2HB ASP 43 8.517 -5.419 5.129 289 2HB ASP 43 1HB ASP 43 9.669 -6.620 4.577 290 H GLU 44 H GLU 44 11.242 -3.321 2.379 291 HA GLU 44 HA GLU 44 12.689 -5.196 0.681 292 1HB GLU 44 2HB GLU 44 13.384 -2.324 1.337 293 2HB GLU 44 1HB GLU 44 13.946 -3.271 -0.016 294 1HG GLU 44 2HG GLU 44 12.313 -1.726 -0.710 295 2HG GLU 44 1HG GLU 44 11.662 -3.336 -0.962 296 H CYS 45 H CYS 45 12.992 -3.843 3.849 297 HA CYS 45 HA CYS 45 15.791 -4.095 4.119 298 1HB CYS 45 2HB CYS 45 13.582 -3.919 6.183 299 2HB CYS 45 1HB CYS 45 15.254 -3.910 6.569 300 H GLN 46 H GLN 46 13.302 -5.799 5.801 301 HA GLN 46 HA GLN 46 14.691 -7.930 6.861 302 1HB GLN 46 2HB GLN 46 11.831 -7.866 5.807 303 2HB GLN 46 1HB GLN 46 12.447 -9.071 6.913 304 1HG GLN 46 2HG GLN 46 12.320 -6.067 7.471 305 2HG GLN 46 1HG GLN 46 11.239 -7.270 8.153 306 1HE2 GLN 46 1HE2 GLN 46 12.704 -9.226 9.186 307 2HE2 GLN 46 2HE2 GLN 46 13.921 -8.666 10.229 308 H ASP 47 H ASP 47 13.110 -7.727 3.740 309 HA ASP 47 HA ASP 47 13.949 -10.316 2.878 310 1HB ASP 47 2HB ASP 47 11.836 -9.300 2.031 311 2HB ASP 47 1HB ASP 47 12.749 -7.965 1.351 312 HA PRO 48 HA PRO 48 17.953 -8.759 1.599 313 1HB PRO 48 2HB PRO 48 18.691 -10.663 -0.247 314 2HB PRO 48 1HB PRO 48 18.712 -10.956 1.473 315 1HG PRO 48 2HG PRO 48 16.609 -11.715 -0.513 316 2HG PRO 48 1HG PRO 48 17.296 -12.666 0.816 317 1HD PRO 48 2HD PRO 48 14.904 -11.441 1.006 318 2HD PRO 48 1HD PRO 48 15.974 -11.650 2.403 319 H ASP 49 H ASP 49 17.103 -6.879 0.703 320 HA ASP 49 HA ASP 49 17.125 -6.782 -2.264 321 1HB ASP 49 2HB ASP 49 14.757 -6.807 -1.539 322 2HB ASP 49 1HB ASP 49 15.069 -5.480 -0.440 323 H THR 50 H THR 50 17.267 -4.947 0.752 324 HA THR 50 HA THR 50 18.530 -2.652 -0.533 325 HB THR 50 HB THR 50 18.452 -1.793 1.886 326 HG1 THR 50 1HG THR 50 17.166 -4.291 2.253 327 1HG2 THR 50 1HG2 THR 50 16.414 -1.530 0.371 328 2HG2 THR 50 2HG2 THR 50 15.967 -1.743 2.056 329 3HG2 THR 50 3HG2 THR 50 15.852 -3.090 0.938 330 H CYS 51 H CYS 51 19.835 -3.271 2.536 331 HA CYS 51 HA CYS 51 22.505 -3.771 1.381 332 1HB CYS 51 2HB CYS 51 21.615 -3.235 4.196 333 2HB CYS 51 1HB CYS 51 23.242 -3.312 3.642 334 H SER 52 H SER 52 23.794 -5.089 3.355 335 HA SER 52 HA SER 52 22.583 -7.797 3.260 336 1HB SER 52 2HB SER 52 24.928 -7.524 2.418 337 2HB SER 52 1HB SER 52 25.418 -6.899 4.000 338 HG SER 52 HG SER 52 25.044 -8.811 4.905 339 H GLN 53 H GLN 53 22.914 -5.173 5.362 340 HA GLN 53 HA GLN 53 22.347 -6.909 7.729 341 1HB GLN 53 2HB GLN 53 24.082 -4.421 7.656 342 2HB GLN 53 1HB GLN 53 23.649 -5.306 9.102 343 1HG GLN 53 2HG GLN 53 25.303 -6.373 6.788 344 2HG GLN 53 1HG GLN 53 25.864 -5.860 8.374 345 1HE2 GLN 53 1HE2 GLN 53 25.121 -8.619 6.671 346 2HE2 GLN 53 2HE2 GLN 53 24.752 -9.645 7.972 347 H LEU 54 H LEU 54 22.580 -3.738 8.685 348 HA LEU 54 HA LEU 54 19.883 -3.519 9.454 349 1HB LEU 54 2HB LEU 54 21.682 -2.728 10.773 350 2HB LEU 54 1HB LEU 54 22.347 -1.780 9.467 351 HG LEU 54 HG LEU 54 19.597 -1.102 10.607 352 1HD1 LEU 54 1HD1 LEU 54 20.816 0.493 12.051 353 2HD1 LEU 54 2HD1 LEU 54 22.362 -0.097 11.441 354 3HD1 LEU 54 3HD1 LEU 54 21.342 -1.146 12.420 355 1HD2 LEU 54 1HD2 LEU 54 21.874 0.465 9.294 356 2HD2 LEU 54 2HD2 LEU 54 20.293 1.126 9.707 357 3HD2 LEU 54 3HD2 LEU 54 20.460 -0.016 8.402 358 H CYS 55 H CYS 55 18.434 -1.994 8.982 359 HA CYS 55 HA CYS 55 18.573 -0.277 6.635 360 1HB CYS 55 2HB CYS 55 18.294 -2.466 5.599 361 2HB CYS 55 1HB CYS 55 16.957 -2.822 6.625 362 H VAL 56 H VAL 56 16.135 0.521 6.123 363 HA VAL 56 HA VAL 56 14.530 0.728 8.619 364 HB VAL 56 HB VAL 56 15.512 3.189 7.072 365 1HG1 VAL 56 1HG1 VAL 56 14.429 4.482 8.887 366 2HG1 VAL 56 2HG1 VAL 56 13.849 2.992 9.614 367 3HG1 VAL 56 3HG1 VAL 56 13.249 3.500 8.045 368 1HG2 VAL 56 1HG2 VAL 56 16.309 2.240 9.855 369 2HG2 VAL 56 2HG2 VAL 56 16.802 3.751 9.107 370 3HG2 VAL 56 3HG2 VAL 56 17.350 2.227 8.440 371 H ASN 57 H ASN 57 12.924 -0.452 7.579 372 HA ASN 57 HA ASN 57 11.747 0.433 5.046 373 1HB ASN 57 2HB ASN 57 11.953 -2.002 5.574 374 2HB ASN 57 1HB ASN 57 10.882 -1.743 6.944 375 1HD2 ASN 57 1HD2 ASN 57 9.028 -2.863 6.364 376 2HD2 ASN 57 2HD2 ASN 57 8.149 -2.579 4.942 377 H LEU 58 H LEU 58 9.591 0.764 4.732 378 HA LEU 58 HA LEU 58 7.456 1.274 6.484 379 1HB LEU 58 2HB LEU 58 7.355 3.707 6.686 380 2HB LEU 58 1HB LEU 58 8.810 3.141 7.421 381 HG LEU 58 HG LEU 58 8.812 4.232 4.588 382 1HD1 LEU 58 1HD1 LEU 58 9.428 5.654 7.252 383 2HD1 LEU 58 2HD1 LEU 58 8.014 5.979 6.265 384 3HD1 LEU 58 3HD1 LEU 58 9.613 6.372 5.661 385 1HD2 LEU 58 1HD2 LEU 58 11.194 4.566 5.103 386 2HD2 LEU 58 2HD2 LEU 58 10.756 2.884 5.244 387 3HD2 LEU 58 3HD2 LEU 58 10.966 3.864 6.690 388 H GLU 59 H GLU 59 6.420 3.531 5.231 389 HA GLU 59 HA GLU 59 5.368 2.390 2.803 390 1HB GLU 59 2HB GLU 59 4.838 4.900 4.397 391 2HB GLU 59 1HB GLU 59 4.132 4.802 2.831 392 1HG GLU 59 2HG GLU 59 2.410 4.009 4.287 393 2HG GLU 59 1HG GLU 59 3.099 2.561 3.636 394 H GLY 60 H GLY 60 6.782 2.179 1.415 395 1HA GLY 60 2HA GLY 60 8.018 2.561 -0.458 396 2HA GLY 60 1HA GLY 60 7.082 4.033 -0.605 397 H GLY 61 H GLY 61 8.312 4.604 2.181 398 1HA GLY 61 2HA GLY 61 10.582 6.192 1.198 399 2HA GLY 61 1HA GLY 61 9.853 6.278 2.799 400 H TYR 62 H TYR 62 10.557 3.167 1.872 401 HA TYR 62 HA TYR 62 12.369 2.673 3.982 402 1HB TYR 62 2HB TYR 62 12.756 0.487 3.034 403 2HB TYR 62 1HB TYR 62 11.094 0.908 2.662 404 HD1 TYR 62 1HD TYR 62 14.361 0.195 1.347 405 HD2 TYR 62 2HD TYR 62 10.538 1.742 0.280 406 HE1 TYR 62 1HE TYR 62 14.924 -0.091 -1.003 407 HE2 TYR 62 2HE TYR 62 11.102 1.455 -2.086 408 HH TYR 62 HH TYR 62 13.398 -0.445 -3.221 409 H LYS 63 H LYS 63 14.507 2.839 4.290 410 HA LYS 63 HA LYS 63 16.351 3.135 2.055 411 1HB LYS 63 2HB LYS 63 16.200 4.994 4.402 412 2HB LYS 63 1HB LYS 63 17.385 4.948 3.167 413 1HG LYS 63 2HG LYS 63 15.796 5.627 1.421 414 2HG LYS 63 1HG LYS 63 14.461 5.528 2.543 415 1HD LYS 63 2HD LYS 63 15.081 7.865 2.220 416 2HD LYS 63 1HD LYS 63 15.397 7.390 3.874 417 1HE LYS 63 2HE LYS 63 17.823 7.105 3.328 418 2HE LYS 63 1HE LYS 63 17.493 7.581 1.665 419 1HZ LYS 63 1HZ LYS 63 18.235 9.479 2.796 420 2HZ LYS 63 2HZ LYS 63 17.201 9.204 4.115 421 3HZ LYS 63 3HZ LYS 63 16.558 9.675 2.616 422 H CYS 64 H CYS 64 18.354 2.619 2.649 423 HA CYS 64 HA CYS 64 18.672 1.193 5.234 424 1HB CYS 64 2HB CYS 64 18.648 -0.169 3.298 425 2HB CYS 64 1HB CYS 64 20.012 0.663 2.595 426 H GLN 65 H GLN 65 20.673 0.880 6.038 427 HA GLN 65 HA GLN 65 22.849 2.860 5.566 428 1HB GLN 65 2HB GLN 65 21.809 2.311 8.380 429 2HB GLN 65 1HB GLN 65 22.983 3.483 7.888 430 1HG GLN 65 2HG GLN 65 21.332 4.825 6.673 431 2HG GLN 65 1HG GLN 65 20.065 3.669 7.063 432 1HE2 GLN 65 1HE2 GLN 65 22.326 6.000 8.547 433 2HE2 GLN 65 2HE2 GLN 65 21.418 6.210 9.966 434 H CYS 66 H CYS 66 24.472 2.034 7.613 435 HA CYS 66 HA CYS 66 24.811 -0.872 7.029 436 1HB CYS 66 2HB CYS 66 26.915 1.159 7.779 437 2HB CYS 66 1HB CYS 66 27.098 -0.467 7.303 438 H GLU 67 H GLU 67 26.044 -2.079 8.481 439 HA GLU 67 HA GLU 67 24.951 -1.975 11.202 440 1HB GLU 67 2HB GLU 67 25.054 -4.037 9.762 441 2HB GLU 67 1HB GLU 67 26.790 -3.984 9.806 442 1HG GLU 67 2HG GLU 67 25.024 -4.372 12.259 443 2HG GLU 67 1HG GLU 67 25.796 -5.670 11.377 444 H GLU 68 H GLU 68 26.019 -0.002 11.588 445 HA GLU 68 HA GLU 68 27.649 1.402 12.426 446 1HB GLU 68 2HB GLU 68 28.210 -1.216 13.864 447 2HB GLU 68 1HB GLU 68 28.899 0.311 14.366 448 1HG GLU 68 2HG GLU 68 26.845 -0.196 15.671 449 2HG GLU 68 1HG GLU 68 26.618 1.247 14.708 450 H GLY 69 H GLY 69 29.705 -1.446 12.474 451 1HA GLY 69 2HA GLY 69 32.022 -0.048 11.642 452 2HA GLY 69 1HA GLY 69 31.893 -1.790 11.812 453 H PHE 70 H PHE 70 29.455 -1.411 9.903 454 HA PHE 70 HA PHE 70 30.899 -2.043 7.534 455 1HB PHE 70 2HB PHE 70 27.986 -1.927 8.260 456 2HB PHE 70 1HB PHE 70 28.496 -2.330 6.632 457 HD1 PHE 70 1HD PHE 70 30.358 -3.557 9.653 458 HD2 PHE 70 2HD PHE 70 27.460 -4.493 6.674 459 HE1 PHE 70 1HE PHE 70 30.473 -5.897 10.291 460 HE2 PHE 70 2HE PHE 70 27.601 -6.857 7.319 461 HZ PHE 70 HZ PHE 70 29.101 -7.565 9.123 462 H GLN 71 H GLN 71 30.491 -1.033 5.493 463 HA GLN 71 HA GLN 71 29.587 1.745 5.541 464 1HB GLN 71 2HB GLN 71 32.239 0.606 4.760 465 2HB GLN 71 1HB GLN 71 31.655 1.928 3.817 466 1HG GLN 71 2HG GLN 71 31.957 1.964 6.867 467 2HG GLN 71 1HG GLN 71 33.075 2.725 5.736 468 1HE2 GLN 71 1HE2 GLN 71 31.700 4.320 7.623 469 2HE2 GLN 71 2HE2 GLN 71 30.568 5.295 6.818 470 H LEU 72 H LEU 72 29.645 2.644 3.386 471 HA LEU 72 HA LEU 72 27.847 0.994 1.739 472 1HB LEU 72 2HB LEU 72 27.478 3.455 2.049 473 2HB LEU 72 1HB LEU 72 28.966 3.773 1.181 474 HG LEU 72 HG LEU 72 28.006 2.493 -0.797 475 1HD1 LEU 72 1HD1 LEU 72 26.309 1.123 0.386 476 2HD1 LEU 72 2HD1 LEU 72 25.568 2.097 -0.867 477 3HD1 LEU 72 3HD1 LEU 72 25.424 2.578 0.813 478 1HD2 LEU 72 1HD2 LEU 72 27.900 4.968 -0.700 479 2HD2 LEU 72 2HD2 LEU 72 26.377 4.878 0.175 480 3HD2 LEU 72 3HD2 LEU 72 26.470 4.321 -1.492 481 H ASP 73 H ASP 73 28.872 -0.581 0.749 482 HA ASP 73 HA ASP 73 31.541 -0.387 -0.369 483 1HB ASP 73 2HB ASP 73 30.563 -2.525 0.485 484 2HB ASP 73 1HB ASP 73 29.394 -2.528 -0.827 485 HA PRO 74 HA PRO 74 30.083 1.392 -4.223 486 1HB PRO 74 2HB PRO 74 32.365 1.404 -5.629 487 2HB PRO 74 1HB PRO 74 32.178 2.429 -4.225 488 1HG PRO 74 2HG PRO 74 33.539 -0.231 -4.404 489 2HG PRO 74 1HG PRO 74 34.091 1.270 -3.639 490 1HD PRO 74 2HD PRO 74 32.951 -0.769 -2.246 491 2HD PRO 74 1HD PRO 74 32.828 0.931 -1.750 492 H HIS 75 H HIS 75 29.956 0.874 -6.480 493 HA HIS 75 HA HIS 75 29.375 -0.516 -8.261 494 1HB HIS 75 2HB HIS 75 31.415 -2.415 -7.006 495 2HB HIS 75 1HB HIS 75 30.790 -2.506 -8.645 496 HD1 HIS 75 1HD HIS 75 33.057 -0.457 -6.564 497 HD2 HIS 75 2HD HIS 75 31.813 -0.558 -10.452 498 HE1 HIS 75 1HE HIS 75 34.540 1.074 -7.810 499 H THR 76 H THR 76 28.572 -1.105 -5.258 500 HA THR 76 HA THR 76 26.657 -3.293 -5.876 501 HB THR 76 HB THR 76 27.051 -4.173 -3.513 502 HG1 THR 76 1HG THR 76 29.184 -2.329 -3.652 503 1HG2 THR 76 1HG2 THR 76 29.313 -5.179 -3.886 504 2HG2 THR 76 2HG2 THR 76 29.702 -3.956 -5.081 505 3HG2 THR 76 3HG2 THR 76 28.491 -5.176 -5.437 506 H LYS 77 H LYS 77 27.678 -0.712 -3.877 507 HA LYS 77 HA LYS 77 26.585 0.973 -2.677 508 1HB LYS 77 2HB LYS 77 24.299 0.129 -4.308 509 2HB LYS 77 1HB LYS 77 24.348 1.622 -3.407 510 1HG LYS 77 2HG LYS 77 26.390 2.305 -4.723 511 2HG LYS 77 1HG LYS 77 26.240 0.843 -5.683 512 1HD LYS 77 2HD LYS 77 23.985 1.572 -6.453 513 2HD LYS 77 1HD LYS 77 24.137 3.041 -5.501 514 1HE LYS 77 2HE LYS 77 26.156 3.689 -6.817 515 2HE LYS 77 1HE LYS 77 26.004 2.220 -7.774 516 1HZ LYS 77 1HZ LYS 77 24.891 3.645 -9.087 517 2HZ LYS 77 2HZ LYS 77 24.383 4.637 -7.805 518 3HZ LYS 77 3HZ LYS 77 23.591 3.165 -8.104 519 H ALA 78 H ALA 78 26.572 -1.936 -1.985 520 HA ALA 78 HA ALA 78 24.275 -2.108 -0.088 521 1HB ALA 78 1HB ALA 78 24.548 -3.991 -1.692 522 2HB ALA 78 2HB ALA 78 24.828 -4.529 -0.040 523 3HB ALA 78 3HB ALA 78 26.190 -4.236 -1.112 524 H CYS 79 H CYS 79 24.694 -2.530 2.103 525 HA CYS 79 HA CYS 79 27.311 -1.593 3.005 526 1HB CYS 79 2HB CYS 79 24.861 -2.350 4.554 527 2HB CYS 79 1HB CYS 79 26.348 -1.873 5.302 528 H LYS 80 H LYS 80 28.810 -2.592 4.047 529 HA LYS 80 HA LYS 80 28.532 -5.267 5.170 530 1HB LYS 80 2HB LYS 80 30.280 -6.214 4.015 531 2HB LYS 80 1HB LYS 80 28.938 -5.941 2.901 532 1HG LYS 80 2HG LYS 80 30.104 -3.808 2.120 533 2HG LYS 80 1HG LYS 80 31.500 -4.246 3.081 534 1HD LYS 80 2HD LYS 80 30.372 -5.886 0.780 535 2HD LYS 80 1HD LYS 80 31.812 -4.894 0.719 536 1HE LYS 80 2HE LYS 80 32.885 -6.313 2.464 537 2HE LYS 80 1HE LYS 80 31.451 -7.332 2.515 538 1HZ LYS 80 1HZ LYS 80 33.266 -6.918 0.224 539 2HZ LYS 80 2HZ LYS 80 31.777 -7.726 0.113 540 3HZ LYS 80 3HZ LYS 80 33.010 -8.349 1.103 541 H ALA 81 H ALA 81 30.660 -5.884 6.237 542 HA ALA 81 HA ALA 81 31.804 -3.977 7.882 543 1HB ALA 81 1HB ALA 81 32.166 -6.402 8.140 544 2HB ALA 81 2HB ALA 81 33.702 -5.551 8.161 545 3HB ALA 81 3HB ALA 81 33.194 -6.413 6.717 546 H VAL 82 H VAL 82 32.952 -2.214 7.597 547 HA VAL 82 HA VAL 82 33.881 -1.196 5.210 548 HB VAL 82 HB VAL 82 33.598 0.104 7.298 549 1HG1 VAL 82 1HG1 VAL 82 35.336 0.035 9.075 550 2HG1 VAL 82 2HG1 VAL 82 36.184 -1.241 8.221 551 3HG1 VAL 82 3HG1 VAL 82 34.605 -1.548 8.900 552 1HG2 VAL 82 1HG2 VAL 82 34.977 1.094 5.508 553 2HG2 VAL 82 2HG2 VAL 82 36.416 0.333 6.161 554 3HG2 VAL 82 3HG2 VAL 82 35.583 1.573 7.083 Start of MODEL 19 1 H GLY 1 H GLY 1 -20.294 0.203 0.260 2 1HA GLY 1 2HA GLY 1 -22.019 1.792 -1.501 3 2HA GLY 1 1HA GLY 1 -22.437 0.083 -1.387 4 H THR 2 H THR 2 -24.338 1.567 -0.658 5 HA THR 2 HA THR 2 -25.758 2.443 0.988 6 HB THR 2 HB THR 2 -25.965 -0.026 0.869 7 HG1 THR 2 1HG THR 2 -27.219 -0.054 2.670 8 1HG2 THR 2 1HG2 THR 2 -24.359 0.102 3.438 9 2HG2 THR 2 2HG2 THR 2 -23.755 -0.634 1.962 10 3HG2 THR 2 3HG2 THR 2 -25.134 -1.337 2.789 11 H ASN 3 H ASN 3 -25.792 2.019 3.735 12 HA ASN 3 HA ASN 3 -24.009 4.157 4.572 13 1HB ASN 3 2HB ASN 3 -26.453 4.037 5.295 14 2HB ASN 3 1HB ASN 3 -26.123 2.526 6.120 15 1HD2 ASN 3 1HD2 ASN 3 -25.170 5.999 6.174 16 2HD2 ASN 3 2HD2 ASN 3 -24.895 6.047 7.848 17 H GLU 4 H GLU 4 -22.879 1.664 3.954 18 HA GLU 4 HA GLU 4 -21.617 0.759 6.467 19 1HB GLU 4 2HB GLU 4 -21.456 -0.119 3.550 20 2HB GLU 4 1HB GLU 4 -20.476 -0.828 4.813 21 1HG GLU 4 2HG GLU 4 -22.430 -1.565 6.039 22 2HG GLU 4 1HG GLU 4 -23.527 -0.672 5.031 23 H CYS 5 H CYS 5 -21.009 2.543 3.505 24 HA CYS 5 HA CYS 5 -18.241 2.966 4.044 25 1HB CYS 5 2HB CYS 5 -20.179 4.217 2.099 26 2HB CYS 5 1HB CYS 5 -18.481 4.585 2.121 27 H LEU 6 H LEU 6 -21.245 4.633 4.323 28 HA LEU 6 HA LEU 6 -20.450 7.172 5.169 29 1HB LEU 6 2HB LEU 6 -22.930 5.590 5.864 30 2HB LEU 6 1HB LEU 6 -22.778 7.319 6.026 31 HG LEU 6 HG LEU 6 -22.624 5.701 3.423 32 1HD1 LEU 6 1HD1 LEU 6 -24.935 5.981 4.307 33 2HD1 LEU 6 2HD1 LEU 6 -24.717 6.917 2.843 34 3HD1 LEU 6 3HD1 LEU 6 -24.689 7.713 4.411 35 1HD2 LEU 6 1HD2 LEU 6 -22.465 8.737 3.776 36 2HD2 LEU 6 2HD2 LEU 6 -22.521 7.891 2.239 37 3HD2 LEU 6 3HD2 LEU 6 -21.128 7.713 3.280 38 H ASP 7 H ASP 7 -21.208 4.258 6.881 39 HA ASP 7 HA ASP 7 -20.440 5.319 9.575 40 1HB ASP 7 2HB ASP 7 -22.522 3.823 9.201 41 2HB ASP 7 1HB ASP 7 -21.404 2.566 8.691 42 H ASN 8 H ASN 8 -19.341 2.881 10.445 43 HA ASN 8 HA ASN 8 -16.628 3.093 10.005 44 1HB ASN 8 2HB ASN 8 -18.203 0.665 10.472 45 2HB ASN 8 1HB ASN 8 -16.490 0.780 10.818 46 1HD2 ASN 8 1HD2 ASN 8 -15.901 2.569 12.444 47 2HD2 ASN 8 2HD2 ASN 8 -16.995 2.886 13.704 48 H ASN 9 H ASN 9 -15.919 3.295 7.970 49 HA ASN 9 HA ASN 9 -16.879 2.566 5.547 50 1HB ASN 9 2HB ASN 9 -14.880 3.940 6.230 51 2HB ASN 9 1HB ASN 9 -14.020 2.402 6.343 52 1HD2 ASN 9 1HD2 ASN 9 -12.820 1.936 4.675 53 2HD2 ASN 9 2HD2 ASN 9 -13.105 2.410 3.070 54 H GLY 10 H GLY 10 -17.923 0.607 5.668 55 1HA GLY 10 2HA GLY 10 -18.298 -1.578 5.139 56 2HA GLY 10 1HA GLY 10 -16.685 -1.622 4.481 57 H GLY 11 H GLY 11 -16.457 -0.647 7.605 58 1HA GLY 11 2HA GLY 11 -16.872 -2.502 9.470 59 2HA GLY 11 1HA GLY 11 -15.570 -3.286 8.570 60 H CYS 12 H CYS 12 -14.273 -0.771 7.859 61 HA CYS 12 HA CYS 12 -13.169 0.050 10.489 62 1HB CYS 12 2HB CYS 12 -11.059 0.104 9.360 63 2HB CYS 12 1HB CYS 12 -11.768 -1.490 9.243 64 H SER 13 H SER 13 -11.493 1.575 8.233 65 HA SER 13 HA SER 13 -13.197 3.750 7.384 66 1HB SER 13 2HB SER 13 -12.153 5.467 8.801 67 2HB SER 13 1HB SER 13 -12.949 4.239 9.791 68 HG SER 13 HG SER 13 -10.195 4.288 9.071 69 H HIS 14 H HIS 14 -11.535 1.804 6.314 70 HA HIS 14 HA HIS 14 -9.279 3.292 5.082 71 1HB HIS 14 2HB HIS 14 -9.727 0.298 5.490 72 2HB HIS 14 1HB HIS 14 -8.352 1.029 4.717 73 HD1 HIS 14 1HD HIS 14 -8.543 -0.556 7.554 74 HD2 HIS 14 2HD HIS 14 -7.841 3.433 7.042 75 HE1 HIS 14 1HE HIS 14 -7.422 0.220 9.607 76 H VAL 15 H VAL 15 -10.887 0.330 4.065 77 HA VAL 15 HA VAL 15 -12.006 1.707 1.654 78 HB VAL 15 HB VAL 15 -10.706 -1.032 1.754 79 1HG1 VAL 15 1HG1 VAL 15 -12.010 0.447 -0.592 80 2HG1 VAL 15 2HG1 VAL 15 -12.647 -0.988 0.186 81 3HG1 VAL 15 3HG1 VAL 15 -11.162 -1.081 -0.728 82 1HG2 VAL 15 1HG2 VAL 15 -9.043 0.770 1.734 83 2HG2 VAL 15 2HG2 VAL 15 -9.824 1.495 0.332 84 3HG2 VAL 15 3HG2 VAL 15 -9.060 -0.085 0.197 85 H CYS 16 H CYS 16 -14.194 1.530 1.730 86 HA CYS 16 HA CYS 16 -15.412 -0.635 3.277 87 1HB CYS 16 2HB CYS 16 -17.499 0.491 2.655 88 2HB CYS 16 1HB CYS 16 -16.429 1.602 3.419 89 H ASN 17 H ASN 17 -14.518 -2.302 2.024 90 HA ASN 17 HA ASN 17 -15.209 -2.546 -0.822 91 1HB ASN 17 2HB ASN 17 -13.058 -3.231 -0.192 92 2HB ASN 17 1HB ASN 17 -13.538 -4.126 1.204 93 1HD2 ASN 17 1HD2 ASN 17 -12.686 -6.176 0.457 94 2HD2 ASN 17 2HD2 ASN 17 -13.231 -6.969 -0.941 95 H ASP 18 H ASP 18 -17.244 -2.276 -0.394 96 HA ASP 18 HA ASP 18 -19.019 -3.816 1.201 97 1HB ASP 18 2HB ASP 18 -19.429 -1.537 0.253 98 2HB ASP 18 1HB ASP 18 -19.620 -2.238 -1.341 99 H LEU 19 H LEU 19 -18.336 -5.892 0.846 100 HA LEU 19 HA LEU 19 -18.354 -7.338 -1.559 101 1HB LEU 19 2HB LEU 19 -17.384 -7.838 0.856 102 2HB LEU 19 1HB LEU 19 -18.995 -8.368 1.213 103 HG LEU 19 HG LEU 19 -18.916 -10.080 -0.584 104 1HD1 LEU 19 1HD1 LEU 19 -16.022 -9.149 -0.760 105 2HD1 LEU 19 2HD1 LEU 19 -17.222 -8.896 -2.015 106 3HD1 LEU 19 3HD1 LEU 19 -16.702 -10.524 -1.628 107 1HD2 LEU 19 1HD2 LEU 19 -17.379 -11.573 0.645 108 2HD2 LEU 19 2HD2 LEU 19 -18.330 -10.598 1.743 109 3HD2 LEU 19 3HD2 LEU 19 -16.654 -10.179 1.436 110 H LYS 20 H LYS 20 -19.934 -9.198 -1.932 111 HA LYS 20 HA LYS 20 -22.609 -8.117 -2.104 112 1HB LYS 20 2HB LYS 20 -23.155 -10.346 -3.077 113 2HB LYS 20 1HB LYS 20 -21.695 -9.691 -3.791 114 1HG LYS 20 2HG LYS 20 -20.321 -11.137 -2.255 115 2HG LYS 20 1HG LYS 20 -21.804 -11.837 -1.623 116 1HD LYS 20 2HD LYS 20 -22.437 -12.630 -3.875 117 2HD LYS 20 1HD LYS 20 -20.960 -11.950 -4.537 118 1HE LYS 20 2HE LYS 20 -21.078 -14.115 -2.391 119 2HE LYS 20 1HE LYS 20 -20.698 -14.382 -4.085 120 1HZ LYS 20 1HZ LYS 20 -19.130 -12.883 -2.084 121 2HZ LYS 20 2HZ LYS 20 -18.842 -12.745 -3.752 122 3HZ LYS 20 3HZ LYS 20 -18.668 -14.250 -2.982 123 H ILE 21 H ILE 21 -21.009 -10.610 -0.157 124 HA ILE 21 HA ILE 21 -22.887 -10.234 2.062 125 HB ILE 21 HB ILE 21 -22.244 -12.893 0.713 126 1HG1 ILE 21 2HG1 ILE 21 -24.916 -11.423 0.974 127 2HG1 ILE 21 1HG1 ILE 21 -24.000 -11.620 -0.507 128 1HG2 ILE 21 1HG2 ILE 21 -23.881 -12.283 3.208 129 2HG2 ILE 21 2HG2 ILE 21 -22.313 -13.081 3.178 130 3HG2 ILE 21 3HG2 ILE 21 -23.708 -13.883 2.491 131 1HD1 ILE 21 1HD1 ILE 21 -25.221 -13.917 1.062 132 2HD1 ILE 21 2HD1 ILE 21 -24.276 -14.065 -0.412 133 3HD1 ILE 21 3HD1 ILE 21 -25.826 -13.241 -0.435 134 H GLY 22 H GLY 22 -21.349 -9.563 3.532 135 1HA GLY 22 2HA GLY 22 -19.806 -10.208 5.227 136 2HA GLY 22 1HA GLY 22 -19.097 -11.312 4.084 137 H TYR 23 H TYR 23 -19.833 -7.954 4.036 138 HA TYR 23 HA TYR 23 -18.036 -6.661 2.500 139 1HB TYR 23 2HB TYR 23 -18.622 -5.606 5.277 140 2HB TYR 23 1HB TYR 23 -18.355 -4.680 3.807 141 HD1 TYR 23 1HD TYR 23 -20.786 -5.758 5.925 142 HD2 TYR 23 2HD TYR 23 -20.042 -5.557 1.760 143 HE1 TYR 23 1HE TYR 23 -23.202 -5.891 5.497 144 HE2 TYR 23 2HE TYR 23 -22.454 -5.688 1.319 145 HH TYR 23 HH TYR 23 -24.774 -5.232 3.700 146 H GLU 24 H GLU 24 -16.088 -5.388 2.848 147 HA GLU 24 HA GLU 24 -14.292 -6.427 4.952 148 1HB GLU 24 2HB GLU 24 -13.989 -7.920 3.084 149 2HB GLU 24 1HB GLU 24 -13.797 -6.573 1.982 150 1HG GLU 24 2HG GLU 24 -11.654 -5.983 2.977 151 2HG GLU 24 1HG GLU 24 -11.855 -7.180 4.248 152 H CYS 25 H CYS 25 -12.273 -5.484 4.985 153 HA CYS 25 HA CYS 25 -12.251 -2.616 4.541 154 1HB CYS 25 2HB CYS 25 -12.381 -3.196 6.907 155 2HB CYS 25 1HB CYS 25 -11.020 -4.279 6.742 156 H LEU 26 H LEU 26 -11.181 -2.831 2.449 157 HA LEU 26 HA LEU 26 -8.613 -4.214 2.304 158 1HB LEU 26 2HB LEU 26 -9.849 -2.316 0.292 159 2HB LEU 26 1HB LEU 26 -8.598 -3.464 0.025 160 HG LEU 26 HG LEU 26 -11.396 -4.310 0.752 161 1HD1 LEU 26 1HD1 LEU 26 -11.285 -3.244 -1.519 162 2HD1 LEU 26 2HD1 LEU 26 -11.529 -4.969 -1.685 163 3HD1 LEU 26 3HD1 LEU 26 -9.941 -4.285 -1.950 164 1HD2 LEU 26 1HD2 LEU 26 -9.656 -5.945 1.396 165 2HD2 LEU 26 2HD2 LEU 26 -9.004 -5.904 -0.236 166 3HD2 LEU 26 3HD2 LEU 26 -10.614 -6.538 0.052 167 H CYS 27 H CYS 27 -7.149 -2.618 0.775 168 HA CYS 27 HA CYS 27 -6.311 -0.431 2.553 169 1HB CYS 27 2HB CYS 27 -4.818 -2.065 0.519 170 2HB CYS 27 1HB CYS 27 -4.126 -0.816 1.522 171 HA PRO 28 HA PRO 28 -7.354 2.431 -0.721 172 1HB PRO 28 2HB PRO 28 -6.431 4.686 0.482 173 2HB PRO 28 1HB PRO 28 -7.881 3.870 0.963 174 1HG PRO 28 2HG PRO 28 -5.239 3.861 2.284 175 2HG PRO 28 1HG PRO 28 -6.858 3.813 2.988 176 1HD PRO 28 2HD PRO 28 -5.188 1.617 2.650 177 2HD PRO 28 1HD PRO 28 -6.937 1.568 2.935 178 H ASP 29 H ASP 29 -4.342 3.007 0.898 179 HA ASP 29 HA ASP 29 -2.962 4.044 -1.438 180 1HB ASP 29 2HB ASP 29 -1.103 4.341 0.119 181 2HB ASP 29 1HB ASP 29 -2.580 4.888 0.867 182 H GLY 30 H GLY 30 -0.577 3.253 -1.515 183 1HA GLY 30 2HA GLY 30 -0.393 0.995 -3.064 184 2HA GLY 30 1HA GLY 30 0.969 1.708 -2.235 185 H PHE 31 H PHE 31 -0.180 1.045 0.439 186 HA PHE 31 HA PHE 31 1.139 -1.407 0.885 187 1HB PHE 31 2HB PHE 31 -0.999 0.032 2.481 188 2HB PHE 31 1HB PHE 31 -0.113 -1.336 3.082 189 HD1 PHE 31 1HD PHE 31 2.108 0.520 0.968 190 HD2 PHE 31 2HD PHE 31 0.374 0.560 4.876 191 HE1 PHE 31 1HE PHE 31 3.910 1.912 1.744 192 HE2 PHE 31 2HE PHE 31 2.222 1.972 5.644 193 HZ PHE 31 HZ PHE 31 4.001 2.635 4.060 194 H GLN 32 H GLN 32 0.216 -3.261 1.938 195 HA GLN 32 HA GLN 32 -2.129 -4.312 0.395 196 1HB GLN 32 2HB GLN 32 0.055 -5.359 -0.199 197 2HB GLN 32 1HB GLN 32 0.314 -5.778 1.479 198 1HG GLN 32 2HG GLN 32 -0.525 -7.726 0.180 199 2HG GLN 32 1HG GLN 32 -1.664 -7.291 1.439 200 1HE2 GLN 32 1HE2 GLN 32 -1.029 -6.213 -1.960 201 2HE2 GLN 32 2HE2 GLN 32 -2.657 -6.285 -2.437 202 H LEU 33 H LEU 33 -3.526 -5.741 1.459 203 HA LEU 33 HA LEU 33 -3.848 -5.122 4.325 204 1HB LEU 33 2HB LEU 33 -5.776 -5.305 2.504 205 2HB LEU 33 1HB LEU 33 -5.576 -7.035 2.669 206 HG LEU 33 HG LEU 33 -5.790 -6.582 5.256 207 1HD1 LEU 33 1HD1 LEU 33 -6.931 -4.006 4.129 208 2HD1 LEU 33 2HD1 LEU 33 -5.491 -4.133 5.119 209 3HD1 LEU 33 3HD1 LEU 33 -7.060 -4.514 5.800 210 1HD2 LEU 33 1HD2 LEU 33 -8.240 -6.205 3.523 211 2HD2 LEU 33 2HD2 LEU 33 -8.222 -6.656 5.224 212 3HD2 LEU 33 3HD2 LEU 33 -7.547 -7.746 4.025 213 H VAL 34 H VAL 34 -1.538 -6.382 4.019 214 HA VAL 34 HA VAL 34 -1.730 -9.280 4.170 215 HB VAL 34 HB VAL 34 0.207 -8.159 3.157 216 1HG1 VAL 34 1HG1 VAL 34 0.761 -7.119 5.954 217 2HG1 VAL 34 2HG1 VAL 34 0.259 -6.151 4.574 218 3HG1 VAL 34 3HG1 VAL 34 1.825 -6.948 4.565 219 1HG2 VAL 34 1HG2 VAL 34 0.949 -9.690 5.690 220 2HG2 VAL 34 2HG2 VAL 34 2.002 -9.427 4.311 221 3HG2 VAL 34 3HG2 VAL 34 0.556 -10.405 4.134 222 H ALA 35 H ALA 35 -1.547 -6.599 6.387 223 HA ALA 35 HA ALA 35 -1.097 -8.229 8.689 224 1HB ALA 35 1HB ALA 35 -1.269 -6.017 9.880 225 2HB ALA 35 2HB ALA 35 -1.741 -5.293 8.346 226 3HB ALA 35 3HB ALA 35 -0.145 -5.986 8.531 227 H GLN 36 H GLN 36 -3.304 -9.070 7.348 228 HA GLN 36 HA GLN 36 -5.400 -9.906 7.677 229 1HB GLN 36 2HB GLN 36 -5.163 -8.702 10.478 230 2HB GLN 36 1HB GLN 36 -6.380 -9.845 9.955 231 1HG GLN 36 2HG GLN 36 -4.642 -11.525 9.436 232 2HG GLN 36 1HG GLN 36 -3.378 -10.388 9.894 233 1HE2 GLN 36 1HE2 GLN 36 -3.169 -9.832 12.169 234 2HE2 GLN 36 2HE2 GLN 36 -3.883 -10.787 13.377 235 H ARG 37 H ARG 37 -5.852 -6.952 9.631 236 HA ARG 37 HA ARG 37 -8.026 -6.166 7.713 237 1HB ARG 37 2HB ARG 37 -7.935 -5.697 10.712 238 2HB ARG 37 1HB ARG 37 -9.245 -5.217 9.658 239 1HG ARG 37 2HG ARG 37 -8.330 -8.043 10.335 240 2HG ARG 37 1HG ARG 37 -9.795 -7.267 10.890 241 1HD ARG 37 2HD ARG 37 -9.159 -7.948 8.005 242 2HD ARG 37 1HD ARG 37 -10.283 -8.800 9.060 243 HE ARG 37 HE ARG 37 -11.086 -6.094 9.019 244 1HH1 ARG 37 2HH1 ARG 37 -10.747 -8.782 6.863 245 2HH1 ARG 37 1HH1 ARG 37 -12.041 -8.274 5.831 246 1HH2 ARG 37 1HH2 ARG 37 -12.732 -5.418 7.719 247 2HH2 ARG 37 2HH2 ARG 37 -13.177 -6.339 6.322 248 H ARG 38 H ARG 38 -5.176 -5.141 9.323 249 HA ARG 38 HA ARG 38 -5.686 -2.299 8.653 250 1HB ARG 38 2HB ARG 38 -3.729 -1.901 10.068 251 2HB ARG 38 1HB ARG 38 -4.934 -2.792 10.961 252 1HG ARG 38 2HG ARG 38 -3.627 -4.897 10.471 253 2HG ARG 38 1HG ARG 38 -2.422 -3.905 9.660 254 1HD ARG 38 2HD ARG 38 -1.704 -4.422 11.948 255 2HD ARG 38 1HD ARG 38 -1.980 -2.690 11.781 256 HE ARG 38 HE ARG 38 -4.416 -3.623 12.667 257 1HH1 ARG 38 2HH1 ARG 38 -1.139 -3.966 13.761 258 2HH1 ARG 38 1HH1 ARG 38 -1.593 -4.120 15.423 259 1HH2 ARG 38 1HH2 ARG 38 -5.008 -3.812 14.770 260 2HH2 ARG 38 2HH2 ARG 38 -3.811 -4.030 16.003 261 H CYS 39 H CYS 39 -4.166 -1.225 7.340 262 HA CYS 39 HA CYS 39 -2.884 -2.983 5.347 263 1HB CYS 39 2HB CYS 39 -3.565 -0.063 5.333 264 2HB CYS 39 1HB CYS 39 -2.858 -0.936 3.984 265 H GLU 40 H GLU 40 -0.897 -3.117 4.839 266 HA GLU 40 HA GLU 40 1.148 -1.188 5.601 267 1HB GLU 40 2HB GLU 40 0.810 -2.497 7.706 268 2HB GLU 40 1HB GLU 40 1.195 -3.967 6.827 269 1HG GLU 40 2HG GLU 40 3.446 -3.046 6.279 270 2HG GLU 40 1HG GLU 40 3.054 -1.568 7.140 271 H ASP 41 H ASP 41 3.126 -1.578 4.585 272 HA ASP 41 HA ASP 41 3.050 -3.450 2.290 273 1HB ASP 41 2HB ASP 41 3.345 -1.110 1.817 274 2HB ASP 41 1HB ASP 41 4.733 -0.988 2.871 275 H ILE 42 H ILE 42 5.017 -4.498 1.762 276 HA ILE 42 HA ILE 42 6.175 -5.853 3.953 277 HB ILE 42 HB ILE 42 7.093 -5.684 1.034 278 1HG1 ILE 42 2HG1 ILE 42 5.293 -7.705 2.467 279 2HG1 ILE 42 1HG1 ILE 42 4.727 -6.480 1.354 280 1HG2 ILE 42 1HG2 ILE 42 7.766 -7.767 3.175 281 2HG2 ILE 42 2HG2 ILE 42 8.893 -6.588 2.530 282 3HG2 ILE 42 3HG2 ILE 42 8.272 -7.849 1.498 283 1HD1 ILE 42 1HD1 ILE 42 4.895 -8.649 0.220 284 2HD1 ILE 42 2HD1 ILE 42 6.596 -8.772 0.617 285 3HD1 ILE 42 3HD1 ILE 42 6.040 -7.516 -0.479 286 H ASP 43 H ASP 43 8.452 -5.755 4.640 287 HA ASP 43 HA ASP 43 9.596 -3.001 4.398 288 1HB ASP 43 2HB ASP 43 9.135 -4.044 6.683 289 2HB ASP 43 1HB ASP 43 10.372 -5.235 6.328 290 H GLU 44 H GLU 44 10.885 -2.890 2.780 291 HA GLU 44 HA GLU 44 12.218 -5.100 1.530 292 1HB GLU 44 2HB GLU 44 12.837 -2.156 1.228 293 2HB GLU 44 1HB GLU 44 13.207 -3.432 0.097 294 1HG GLU 44 2HG GLU 44 11.374 -2.257 -0.722 295 2HG GLU 44 1HG GLU 44 10.734 -3.813 -0.250 296 H CYS 45 H CYS 45 13.118 -2.822 4.036 297 HA CYS 45 HA CYS 45 15.914 -3.165 3.755 298 1HB CYS 45 2HB CYS 45 14.255 -2.214 6.105 299 2HB CYS 45 1HB CYS 45 15.968 -2.227 6.080 300 H GLN 46 H GLN 46 13.880 -4.102 6.381 301 HA GLN 46 HA GLN 46 15.437 -5.875 7.777 302 1HB GLN 46 2HB GLN 46 12.447 -6.032 7.250 303 2HB GLN 46 1HB GLN 46 13.271 -6.891 8.533 304 1HG GLN 46 2HG GLN 46 14.031 -4.744 9.521 305 2HG GLN 46 1HG GLN 46 13.238 -3.850 8.238 306 1HE2 GLN 46 1HE2 GLN 46 12.731 -4.009 11.257 307 2HE2 GLN 46 2HE2 GLN 46 11.073 -4.346 11.382 308 H ASP 47 H ASP 47 13.292 -6.674 5.107 309 HA ASP 47 HA ASP 47 14.098 -9.409 5.003 310 1HB ASP 47 2HB ASP 47 11.805 -8.729 4.321 311 2HB ASP 47 1HB ASP 47 12.473 -7.718 3.051 312 HA PRO 48 HA PRO 48 17.707 -8.537 2.494 313 1HB PRO 48 2HB PRO 48 18.012 -10.968 1.210 314 2HB PRO 48 1HB PRO 48 18.470 -10.706 2.874 315 1HG PRO 48 2HG PRO 48 15.945 -11.910 1.812 316 2HG PRO 48 1HG PRO 48 16.965 -12.451 3.157 317 1HD PRO 48 2HD PRO 48 14.697 -11.106 3.575 318 2HD PRO 48 1HD PRO 48 16.113 -10.864 4.611 319 H ASP 49 H ASP 49 16.710 -6.985 1.234 320 HA ASP 49 HA ASP 49 16.096 -7.810 -1.540 321 1HB ASP 49 2HB ASP 49 13.921 -7.609 -0.405 322 2HB ASP 49 1HB ASP 49 14.367 -6.031 0.209 323 H THR 50 H THR 50 16.852 -5.202 0.704 324 HA THR 50 HA THR 50 17.572 -3.351 -1.423 325 HB THR 50 HB THR 50 18.113 -1.883 0.619 326 HG1 THR 50 1HG THR 50 17.718 -2.797 2.582 327 1HG2 THR 50 1HG2 THR 50 15.737 -1.754 1.366 328 2HG2 THR 50 2HG2 THR 50 15.423 -3.340 0.683 329 3HG2 THR 50 3HG2 THR 50 15.786 -1.995 -0.372 330 H CYS 51 H CYS 51 19.721 -3.191 1.237 331 HA CYS 51 HA CYS 51 21.933 -4.207 -0.472 332 1HB CYS 51 2HB CYS 51 21.719 -1.922 1.458 333 2HB CYS 51 1HB CYS 51 23.222 -2.467 0.785 334 H SER 52 H SER 52 23.988 -4.487 0.906 335 HA SER 52 HA SER 52 23.874 -6.871 2.263 336 1HB SER 52 2HB SER 52 25.951 -5.920 1.371 337 2HB SER 52 1HB SER 52 25.912 -4.635 2.583 338 HG SER 52 HG SER 52 26.724 -5.991 3.940 339 H GLN 53 H GLN 53 24.279 -3.784 3.937 340 HA GLN 53 HA GLN 53 23.231 -5.103 6.418 341 1HB GLN 53 2HB GLN 53 25.259 -2.881 6.131 342 2HB GLN 53 1HB GLN 53 24.642 -3.457 7.671 343 1HG GLN 53 2HG GLN 53 26.098 -5.155 5.628 344 2HG GLN 53 1HG GLN 53 26.818 -4.489 7.085 345 1HE2 GLN 53 1HE2 GLN 53 25.119 -7.166 5.799 346 2HE2 GLN 53 2HE2 GLN 53 24.750 -7.939 7.265 347 H LEU 54 H LEU 54 23.762 -1.736 6.740 348 HA LEU 54 HA LEU 54 21.119 -1.320 7.534 349 1HB LEU 54 2HB LEU 54 23.174 0.688 6.632 350 2HB LEU 54 1HB LEU 54 21.664 1.078 7.425 351 HG LEU 54 HG LEU 54 24.015 -0.383 8.623 352 1HD1 LEU 54 1HD1 LEU 54 24.022 2.103 8.428 353 2HD1 LEU 54 2HD1 LEU 54 23.864 1.606 10.114 354 3HD1 LEU 54 3HD1 LEU 54 22.456 2.154 9.209 355 1HD2 LEU 54 1HD2 LEU 54 21.263 0.156 9.837 356 2HD2 LEU 54 2HD2 LEU 54 22.646 -0.531 10.680 357 3HD2 LEU 54 3HD2 LEU 54 21.855 -1.444 9.409 358 H CYS 55 H CYS 55 19.764 0.095 7.025 359 HA CYS 55 HA CYS 55 19.241 1.068 4.320 360 1HB CYS 55 2HB CYS 55 18.751 -1.355 4.104 361 2HB CYS 55 1HB CYS 55 17.696 -1.294 5.452 362 H VAL 56 H VAL 56 16.665 1.637 4.371 363 HA VAL 56 HA VAL 56 15.711 2.566 6.965 364 HB VAL 56 HB VAL 56 17.328 4.346 6.463 365 1HG1 VAL 56 1HG1 VAL 56 17.555 4.132 4.017 366 2HG1 VAL 56 2HG1 VAL 56 17.202 5.786 4.464 367 3HG1 VAL 56 3HG1 VAL 56 15.944 4.786 3.777 368 1HG2 VAL 56 1HG2 VAL 56 15.235 5.064 7.506 369 2HG2 VAL 56 2HG2 VAL 56 14.490 5.299 5.935 370 3HG2 VAL 56 3HG2 VAL 56 15.823 6.323 6.436 371 H ASN 57 H ASN 57 13.952 1.467 6.636 372 HA ASN 57 HA ASN 57 12.350 1.603 4.193 373 1HB ASN 57 2HB ASN 57 12.596 -0.541 5.448 374 2HB ASN 57 1HB ASN 57 11.818 0.209 6.834 375 1HD2 ASN 57 1HD2 ASN 57 9.837 -0.862 6.961 376 2HD2 ASN 57 2HD2 ASN 57 8.732 -0.979 5.678 377 H LEU 58 H LEU 58 10.176 1.979 4.229 378 HA LEU 58 HA LEU 58 8.592 3.370 6.141 379 1HB LEU 58 2HB LEU 58 8.549 5.650 5.222 380 2HB LEU 58 1HB LEU 58 10.164 5.274 5.715 381 HG LEU 58 HG LEU 58 9.301 5.060 2.798 382 1HD1 LEU 58 1HD1 LEU 58 10.716 7.342 4.270 383 2HD1 LEU 58 2HD1 LEU 58 9.068 7.410 3.660 384 3HD1 LEU 58 3HD1 LEU 58 10.412 7.271 2.539 385 1HD2 LEU 58 1HD2 LEU 58 11.366 3.827 3.443 386 2HD2 LEU 58 2HD2 LEU 58 12.010 5.291 4.171 387 3HD2 LEU 58 3HD2 LEU 58 11.746 5.209 2.443 388 H GLU 59 H GLU 59 7.251 4.939 4.266 389 HA GLU 59 HA GLU 59 5.533 2.972 3.103 390 1HB GLU 59 2HB GLU 59 4.717 5.235 3.982 391 2HB GLU 59 1HB GLU 59 5.615 6.028 2.706 392 1HG GLU 59 2HG GLU 59 4.104 4.920 0.987 393 2HG GLU 59 1HG GLU 59 3.225 4.153 2.288 394 H GLY 60 H GLY 60 6.780 1.821 2.034 395 1HA GLY 60 2HA GLY 60 7.650 0.880 0.178 396 2HA GLY 60 1HA GLY 60 6.523 1.922 -0.684 397 H GLY 61 H GLY 61 8.388 3.978 0.968 398 1HA GLY 61 2HA GLY 61 10.043 4.716 -1.347 399 2HA GLY 61 1HA GLY 61 9.823 5.647 0.127 400 H TYR 62 H TYR 62 10.611 2.604 0.919 401 HA TYR 62 HA TYR 62 12.858 2.899 2.374 402 1HB TYR 62 2HB TYR 62 13.378 0.547 2.066 403 2HB TYR 62 1HB TYR 62 11.634 0.760 1.992 404 HD1 TYR 62 1HD TYR 62 10.513 0.830 -0.337 405 HD2 TYR 62 2HD TYR 62 14.612 -0.158 0.187 406 HE1 TYR 62 1HE TYR 62 10.600 -0.063 -2.617 407 HE2 TYR 62 2HE TYR 62 14.706 -1.056 -2.076 408 HH TYR 62 HH TYR 62 13.339 -0.623 -4.283 409 H LYS 63 H LYS 63 15.072 3.028 2.270 410 HA LYS 63 HA LYS 63 16.380 2.885 -0.358 411 1HB LYS 63 2HB LYS 63 16.735 5.068 1.685 412 2HB LYS 63 1HB LYS 63 17.620 4.841 0.229 413 1HG LYS 63 2HG LYS 63 15.531 5.160 -1.131 414 2HG LYS 63 1HG LYS 63 14.637 5.395 0.364 415 1HD LYS 63 2HD LYS 63 15.981 7.389 0.908 416 2HD LYS 63 1HD LYS 63 16.915 7.177 -0.565 417 1HE LYS 63 2HE LYS 63 14.827 7.443 -1.917 418 2HE LYS 63 1HE LYS 63 13.906 7.670 -0.436 419 1HZ LYS 63 1HZ LYS 63 16.086 9.396 -1.447 420 2HZ LYS 63 2HZ LYS 63 15.331 9.588 0.061 421 3HZ LYS 63 3HZ LYS 63 14.431 9.774 -1.369 422 H CYS 64 H CYS 64 18.592 2.627 -0.170 423 HA CYS 64 HA CYS 64 19.412 0.878 2.020 424 1HB CYS 64 2HB CYS 64 20.762 1.825 -0.481 425 2HB CYS 64 1HB CYS 64 21.587 0.859 0.684 426 H GLN 65 H GLN 65 21.542 1.023 2.853 427 HA GLN 65 HA GLN 65 22.812 3.644 3.373 428 1HB GLN 65 2HB GLN 65 21.729 1.887 5.578 429 2HB GLN 65 1HB GLN 65 22.695 3.318 5.839 430 1HG GLN 65 2HG GLN 65 20.879 4.688 4.735 431 2HG GLN 65 1HG GLN 65 19.881 3.243 4.672 432 1HE2 GLN 65 1HE2 GLN 65 19.436 5.752 6.218 433 2HE2 GLN 65 2HE2 GLN 65 19.294 5.269 7.840 434 H CYS 66 H CYS 66 24.381 2.621 5.471 435 HA CYS 66 HA CYS 66 25.679 0.184 4.475 436 1HB CYS 66 2HB CYS 66 26.999 2.816 4.803 437 2HB CYS 66 1HB CYS 66 27.748 1.364 4.447 438 H GLU 67 H GLU 67 27.157 -0.665 5.739 439 HA GLU 67 HA GLU 67 26.821 -0.159 8.640 440 1HB GLU 67 2HB GLU 67 26.773 -2.473 7.575 441 2HB GLU 67 1HB GLU 67 28.484 -2.325 7.256 442 1HG GLU 67 2HG GLU 67 27.143 -2.314 10.001 443 2HG GLU 67 1HG GLU 67 28.062 -3.635 9.324 444 H GLU 68 H GLU 68 27.850 1.955 8.204 445 HA GLU 68 HA GLU 68 29.593 3.454 8.302 446 1HB GLU 68 2HB GLU 68 30.821 1.128 9.809 447 2HB GLU 68 1HB GLU 68 31.446 2.758 9.845 448 1HG GLU 68 2HG GLU 68 29.246 3.555 10.762 449 2HG GLU 68 1HG GLU 68 28.628 1.911 10.696 450 H GLY 69 H GLY 69 31.693 0.673 8.095 451 1HA GLY 69 2HA GLY 69 33.674 1.895 6.528 452 2HA GLY 69 1HA GLY 69 33.604 0.203 6.943 453 H PHE 70 H PHE 70 30.785 0.537 5.441 454 HA PHE 70 HA PHE 70 31.801 -0.653 3.081 455 1HB PHE 70 2HB PHE 70 29.066 0.339 3.735 456 2HB PHE 70 1HB PHE 70 29.440 -0.550 2.297 457 HD1 PHE 70 1HD PHE 70 27.423 -1.820 3.202 458 HD2 PHE 70 2HD PHE 70 31.273 -1.943 5.026 459 HE1 PHE 70 1HE PHE 70 26.854 -3.909 4.286 460 HE2 PHE 70 2HE PHE 70 30.697 -4.056 6.115 461 HZ PHE 70 HZ PHE 70 28.486 -5.057 5.746 462 H GLN 71 H GLN 71 31.188 0.008 0.894 463 HA GLN 71 HA GLN 71 30.933 2.866 0.376 464 1HB GLN 71 2HB GLN 71 33.176 1.025 -0.327 465 2HB GLN 71 1HB GLN 71 32.702 2.149 -1.551 466 1HG GLN 71 2HG GLN 71 33.452 2.930 1.318 467 2HG GLN 71 1HG GLN 71 34.514 3.103 -0.078 468 1HE2 GLN 71 1HE2 GLN 71 33.747 5.393 1.380 469 2HE2 GLN 71 2HE2 GLN 71 32.713 6.346 0.426 470 H LEU 72 H LEU 72 30.862 3.144 -2.027 471 HA LEU 72 HA LEU 72 28.514 1.613 -2.906 472 1HB LEU 72 2HB LEU 72 28.673 4.043 -3.340 473 2HB LEU 72 1HB LEU 72 30.071 3.779 -4.361 474 HG LEU 72 HG LEU 72 28.671 2.325 -5.875 475 1HD1 LEU 72 1HD1 LEU 72 26.945 1.567 -4.247 476 2HD1 LEU 72 2HD1 LEU 72 26.205 2.324 -5.639 477 3HD1 LEU 72 3HD1 LEU 72 26.334 3.208 -4.129 478 1HD2 LEU 72 1HD2 LEU 72 27.535 5.104 -5.373 479 2HD2 LEU 72 2HD2 LEU 72 27.345 4.179 -6.857 480 3HD2 LEU 72 3HD2 LEU 72 28.938 4.735 -6.367 481 H ASP 73 H ASP 73 28.873 -0.335 -3.563 482 HA ASP 73 HA ASP 73 31.258 -1.205 -5.006 483 1HB ASP 73 2HB ASP 73 30.042 -2.621 -3.358 484 2HB ASP 73 1HB ASP 73 28.644 -2.663 -4.406 485 HA PRO 74 HA PRO 74 29.228 -0.026 -8.876 486 1HB PRO 74 2HB PRO 74 31.216 -0.586 -10.590 487 2HB PRO 74 1HB PRO 74 31.353 0.755 -9.474 488 1HG PRO 74 2HG PRO 74 32.473 -2.007 -9.188 489 2HG PRO 74 1HG PRO 74 33.260 -0.438 -8.939 490 1HD PRO 74 2HD PRO 74 32.283 -1.915 -6.887 491 2HD PRO 74 1HD PRO 74 32.328 -0.142 -6.856 492 H HIS 75 H HIS 75 28.639 -1.038 -10.859 493 HA HIS 75 HA HIS 75 27.658 -2.728 -12.131 494 1HB HIS 75 2HB HIS 75 29.798 -4.489 -10.839 495 2HB HIS 75 1HB HIS 75 28.873 -4.876 -12.281 496 HD1 HIS 75 1HD HIS 75 31.646 -2.728 -11.160 497 HD2 HIS 75 2HD HIS 75 29.584 -3.386 -14.622 498 HE1 HIS 75 1HE HIS 75 32.935 -1.629 -12.956 499 H THR 76 H THR 76 27.429 -2.572 -8.974 500 HA THR 76 HA THR 76 25.321 -4.655 -8.706 501 HB THR 76 HB THR 76 26.143 -4.995 -6.307 502 HG1 THR 76 1HG THR 76 28.108 -4.052 -5.824 503 1HG2 THR 76 1HG2 THR 76 28.238 -6.256 -6.844 504 2HG2 THR 76 2HG2 THR 76 28.423 -5.380 -8.353 505 3HG2 THR 76 3HG2 THR 76 27.114 -6.534 -8.165 506 H LYS 77 H LYS 77 26.820 -1.786 -7.654 507 HA LYS 77 HA LYS 77 26.090 0.277 -6.866 508 1HB LYS 77 2HB LYS 77 23.464 -0.743 -7.652 509 2HB LYS 77 1HB LYS 77 23.775 0.928 -7.259 510 1HG LYS 77 2HG LYS 77 25.504 1.004 -9.091 511 2HG LYS 77 1HG LYS 77 25.101 -0.647 -9.530 512 1HD LYS 77 2HD LYS 77 22.767 0.057 -10.041 513 2HD LYS 77 1HD LYS 77 23.176 1.712 -9.618 514 1HE LYS 77 2HE LYS 77 24.917 1.735 -11.416 515 2HE LYS 77 1HE LYS 77 24.489 0.083 -11.841 516 1HZ LYS 77 1HZ LYS 77 23.344 1.449 -13.314 517 2HZ LYS 77 2HZ LYS 77 22.837 2.514 -12.092 518 3HZ LYS 77 3HZ LYS 77 22.176 0.952 -12.185 519 H ALA 78 H ALA 78 25.609 -2.504 -5.344 520 HA ALA 78 HA ALA 78 23.893 -1.582 -3.116 521 1HB ALA 78 1HB ALA 78 23.773 -3.956 -3.915 522 2HB ALA 78 2HB ALA 78 24.292 -3.882 -2.237 523 3HB ALA 78 3HB ALA 78 25.470 -4.169 -3.511 524 H CYS 79 H CYS 79 24.868 -1.742 -0.834 525 HA CYS 79 HA CYS 79 27.657 -0.651 -0.951 526 1HB CYS 79 2HB CYS 79 25.692 0.570 0.306 527 2HB CYS 79 1HB CYS 79 25.965 -0.652 1.532 528 H LYS 80 H LYS 80 29.265 -1.562 0.161 529 HA LYS 80 HA LYS 80 28.864 -3.745 2.063 530 1HB LYS 80 2HB LYS 80 30.095 -5.382 0.887 531 2HB LYS 80 1HB LYS 80 28.599 -5.034 0.062 532 1HG LYS 80 2HG LYS 80 30.242 -5.337 -1.671 533 2HG LYS 80 1HG LYS 80 29.884 -3.629 -1.597 534 1HD LYS 80 2HD LYS 80 31.998 -3.172 -0.441 535 2HD LYS 80 1HD LYS 80 32.321 -4.888 -0.261 536 1HE LYS 80 2HE LYS 80 32.498 -5.011 -2.757 537 2HE LYS 80 1HE LYS 80 32.138 -3.289 -2.856 538 1HZ LYS 80 1HZ LYS 80 34.532 -4.630 -1.836 539 2HZ LYS 80 2HZ LYS 80 34.108 -3.109 -1.212 540 3HZ LYS 80 3HZ LYS 80 34.397 -3.293 -2.876 541 H ALA 81 H ALA 81 31.042 -4.580 2.812 542 HA ALA 81 HA ALA 81 32.735 -2.684 3.840 543 1HB ALA 81 1HB ALA 81 32.825 -5.057 4.445 544 2HB ALA 81 2HB ALA 81 34.434 -4.482 4.040 545 3HB ALA 81 3HB ALA 81 33.530 -5.452 2.885 546 H VAL 82 H VAL 82 33.814 -1.075 2.949 547 HA VAL 82 HA VAL 82 34.489 -0.640 0.334 548 HB VAL 82 HB VAL 82 34.689 1.055 2.110 549 1HG1 VAL 82 1HG1 VAL 82 37.181 -0.484 2.993 550 2HG1 VAL 82 2HG1 VAL 82 35.683 -0.418 3.890 551 3HG1 VAL 82 3HG1 VAL 82 36.629 1.040 3.669 552 1HG2 VAL 82 1HG2 VAL 82 35.957 1.462 0.017 553 2HG2 VAL 82 2HG2 VAL 82 37.352 0.634 0.682 554 3HG2 VAL 82 3HG2 VAL 82 36.804 2.137 1.398 Start of MODEL 20 1 H GLY 1 H GLY 1 -18.330 -2.315 -2.888 2 1HA GLY 1 2HA GLY 1 -19.651 -1.800 -5.470 3 2HA GLY 1 1HA GLY 1 -19.774 -3.447 -4.848 4 H THR 2 H THR 2 -22.022 -2.245 -5.243 5 HA THR 2 HA THR 2 -24.007 -1.308 -4.410 6 HB THR 2 HB THR 2 -23.847 -3.709 -3.809 7 HG1 THR 2 1HG THR 2 -25.578 -3.548 -2.416 8 1HG2 THR 2 1HG2 THR 2 -22.059 -3.530 -2.031 9 2HG2 THR 2 2HG2 THR 2 -23.531 -4.273 -1.428 10 3HG2 THR 2 3HG2 THR 2 -23.189 -2.582 -1.076 11 H ASN 3 H ASN 3 -24.879 -1.017 -1.782 12 HA ASN 3 HA ASN 3 -23.745 1.602 -1.213 13 1HB ASN 3 2HB ASN 3 -26.260 1.145 -1.205 14 2HB ASN 3 1HB ASN 3 -26.044 0.046 0.142 15 1HD2 ASN 3 1HD2 ASN 3 -25.468 3.488 -0.729 16 2HD2 ASN 3 2HD2 ASN 3 -25.804 4.095 0.821 17 H GLU 4 H GLU 4 -22.148 -0.626 -0.662 18 HA GLU 4 HA GLU 4 -21.713 -0.552 2.259 19 1HB GLU 4 2HB GLU 4 -20.412 -2.049 -0.059 20 2HB GLU 4 1HB GLU 4 -19.842 -2.169 1.588 21 1HG GLU 4 2HG GLU 4 -21.961 -3.080 2.342 22 2HG GLU 4 1HG GLU 4 -22.748 -2.760 0.826 23 H CYS 5 H CYS 5 -20.365 0.480 -0.819 24 HA CYS 5 HA CYS 5 -18.085 1.719 0.365 25 1HB CYS 5 2HB CYS 5 -19.284 1.894 -2.408 26 2HB CYS 5 1HB CYS 5 -17.754 2.587 -1.975 27 H LEU 6 H LEU 6 -21.127 2.617 -1.032 28 HA LEU 6 HA LEU 6 -21.038 5.387 -1.005 29 1HB LEU 6 2HB LEU 6 -23.374 3.550 -0.497 30 2HB LEU 6 1HB LEU 6 -23.512 5.214 -0.993 31 HG LEU 6 HG LEU 6 -22.216 2.934 -2.584 32 1HD1 LEU 6 1HD1 LEU 6 -24.743 4.555 -3.103 33 2HD1 LEU 6 2HD1 LEU 6 -24.702 2.882 -2.574 34 3HD1 LEU 6 3HD1 LEU 6 -24.100 3.312 -4.166 35 1HD2 LEU 6 1HD2 LEU 6 -21.975 4.575 -4.446 36 2HD2 LEU 6 2HD2 LEU 6 -21.043 5.101 -3.063 37 3HD2 LEU 6 3HD2 LEU 6 -22.589 5.856 -3.415 38 H ASP 7 H ASP 7 -22.034 3.132 1.465 39 HA ASP 7 HA ASP 7 -22.381 5.289 3.510 40 1HB ASP 7 2HB ASP 7 -24.116 3.386 3.178 41 2HB ASP 7 1HB ASP 7 -22.837 2.292 3.686 42 H ASN 8 H ASN 8 -21.586 3.739 5.674 43 HA ASN 8 HA ASN 8 -18.881 4.231 5.954 44 1HB ASN 8 2HB ASN 8 -20.540 2.140 7.144 45 2HB ASN 8 1HB ASN 8 -18.965 2.548 7.784 46 1HD2 ASN 8 1HD2 ASN 8 -19.169 3.866 9.581 47 2HD2 ASN 8 2HD2 ASN 8 -20.351 5.066 9.796 48 H ASN 9 H ASN 9 -17.265 3.407 4.758 49 HA ASN 9 HA ASN 9 -17.237 1.575 2.750 50 1HB ASN 9 2HB ASN 9 -15.411 3.104 3.455 51 2HB ASN 9 1HB ASN 9 -15.017 1.995 4.760 52 1HD2 ASN 9 1HD2 ASN 9 -14.331 -0.261 4.066 53 2HD2 ASN 9 2HD2 ASN 9 -13.483 -0.400 2.613 54 H GLY 10 H GLY 10 -18.635 -0.169 3.302 55 1HA GLY 10 2HA GLY 10 -19.116 -2.351 3.911 56 2HA GLY 10 1HA GLY 10 -17.374 -2.566 4.001 57 H GLY 11 H GLY 11 -18.244 -0.100 6.010 58 1HA GLY 11 2HA GLY 11 -19.425 -0.544 8.282 59 2HA GLY 11 1HA GLY 11 -18.154 -1.758 8.477 60 H CYS 12 H CYS 12 -16.141 -0.274 7.106 61 HA CYS 12 HA CYS 12 -15.318 1.622 9.209 62 1HB CYS 12 2HB CYS 12 -13.106 1.255 8.198 63 2HB CYS 12 1HB CYS 12 -13.890 -0.272 8.528 64 H SER 13 H SER 13 -13.455 2.646 6.970 65 HA SER 13 HA SER 13 -15.081 4.156 5.119 66 1HB SER 13 2HB SER 13 -14.577 6.410 6.117 67 2HB SER 13 1HB SER 13 -15.541 5.430 7.228 68 HG SER 13 HG SER 13 -12.720 5.747 7.210 69 H HIS 14 H HIS 14 -13.004 2.375 4.874 70 HA HIS 14 HA HIS 14 -10.681 4.001 3.987 71 1HB HIS 14 2HB HIS 14 -10.856 1.121 4.953 72 2HB HIS 14 1HB HIS 14 -9.406 1.969 4.474 73 HD1 HIS 14 1HD HIS 14 -11.379 1.365 7.334 74 HD2 HIS 14 2HD HIS 14 -8.937 4.419 6.179 75 HE1 HIS 14 1HE HIS 14 -10.861 2.652 9.385 76 H VAL 15 H VAL 15 -10.477 0.809 3.012 77 HA VAL 15 HA VAL 15 -11.300 1.472 0.216 78 HB VAL 15 HB VAL 15 -9.420 -0.681 1.266 79 1HG1 VAL 15 1HG1 VAL 15 -10.108 0.046 -1.624 80 2HG1 VAL 15 2HG1 VAL 15 -10.584 -1.432 -0.811 81 3HG1 VAL 15 3HG1 VAL 15 -8.892 -1.124 -1.133 82 1HG2 VAL 15 1HG2 VAL 15 -8.854 1.845 -0.321 83 2HG2 VAL 15 2HG2 VAL 15 -7.664 0.631 0.130 84 3HG2 VAL 15 3HG2 VAL 15 -8.465 1.581 1.374 85 H CYS 16 H CYS 16 -13.325 0.762 -0.140 86 HA CYS 16 HA CYS 16 -14.428 -1.534 1.272 87 1HB CYS 16 2HB CYS 16 -16.401 -1.042 -0.077 88 2HB CYS 16 1HB CYS 16 -15.842 0.421 0.657 89 H ASN 17 H ASN 17 -12.867 -3.110 0.681 90 HA ASN 17 HA ASN 17 -12.655 -3.814 -2.192 91 1HB ASN 17 2HB ASN 17 -10.600 -3.687 -1.066 92 2HB ASN 17 1HB ASN 17 -11.145 -4.435 0.390 93 1HD2 ASN 17 1HD2 ASN 17 -10.177 -6.462 0.491 94 2HD2 ASN 17 2HD2 ASN 17 -9.907 -7.508 -0.808 95 H ASP 18 H ASP 18 -14.716 -3.986 -2.067 96 HA ASP 18 HA ASP 18 -16.500 -5.575 -0.655 97 1HB ASP 18 2HB ASP 18 -17.023 -3.744 -2.284 98 2HB ASP 18 1HB ASP 18 -16.657 -4.830 -3.607 99 H LEU 19 H LEU 19 -15.590 -7.456 -0.219 100 HA LEU 19 HA LEU 19 -14.707 -9.462 -1.993 101 1HB LEU 19 2HB LEU 19 -14.370 -9.029 0.595 102 2HB LEU 19 1HB LEU 19 -15.933 -9.761 0.757 103 HG LEU 19 HG LEU 19 -15.158 -11.881 -0.214 104 1HD1 LEU 19 1HD1 LEU 19 -12.478 -10.435 -0.202 105 2HD1 LEU 19 2HD1 LEU 19 -13.355 -10.871 -1.654 106 3HD1 LEU 19 3HD1 LEU 19 -12.715 -12.130 -0.617 107 1HD2 LEU 19 1HD2 LEU 19 -13.764 -12.493 1.737 108 2HD2 LEU 19 2HD2 LEU 19 -15.086 -11.449 2.212 109 3HD2 LEU 19 3HD2 LEU 19 -13.470 -10.789 2.070 110 H LYS 20 H LYS 20 -15.964 -11.711 -1.864 111 HA LYS 20 HA LYS 20 -18.582 -11.226 -3.045 112 1HB LYS 20 2HB LYS 20 -18.612 -13.696 -3.303 113 2HB LYS 20 1HB LYS 20 -17.086 -13.032 -3.851 114 1HG LYS 20 2HG LYS 20 -16.022 -13.693 -1.679 115 2HG LYS 20 1HG LYS 20 -17.546 -14.406 -1.166 116 1HD LYS 20 2HD LYS 20 -17.515 -15.943 -3.099 117 2HD LYS 20 1HD LYS 20 -15.993 -15.253 -3.634 118 1HE LYS 20 2HE LYS 20 -14.916 -15.970 -1.506 119 2HE LYS 20 1HE LYS 20 -16.444 -16.657 -0.965 120 1HZ LYS 20 1HZ LYS 20 -14.861 -17.490 -3.323 121 2HZ LYS 20 2HZ LYS 20 -16.400 -18.092 -2.938 122 3HZ LYS 20 3HZ LYS 20 -15.096 -18.361 -1.885 123 H ILE 21 H ILE 21 -17.267 -12.643 -0.089 124 HA ILE 21 HA ILE 21 -19.675 -11.989 1.452 125 HB ILE 21 HB ILE 21 -18.377 -14.743 1.261 126 1HG1 ILE 21 2HG1 ILE 21 -21.199 -13.847 0.488 127 2HG1 ILE 21 1HG1 ILE 21 -19.928 -14.288 -0.634 128 1HG2 ILE 21 1HG2 ILE 21 -20.647 -13.750 3.030 129 2HG2 ILE 21 2HG2 ILE 21 -19.029 -14.171 3.577 130 3HG2 ILE 21 3HG2 ILE 21 -20.088 -15.420 2.959 131 1HD1 ILE 21 1HD1 ILE 21 -21.184 -16.199 1.368 132 2HD1 ILE 21 2HD1 ILE 21 -19.893 -16.592 0.240 133 3HD1 ILE 21 3HD1 ILE 21 -21.484 -16.152 -0.357 134 H GLY 22 H GLY 22 -18.728 -10.673 2.956 135 1HA GLY 22 2HA GLY 22 -17.544 -10.417 4.994 136 2HA GLY 22 1HA GLY 22 -16.415 -11.620 4.429 137 H TYR 23 H TYR 23 -17.642 -8.785 2.951 138 HA TYR 23 HA TYR 23 -15.686 -7.661 1.479 139 1HB TYR 23 2HB TYR 23 -17.214 -5.879 3.350 140 2HB TYR 23 1HB TYR 23 -16.712 -5.555 1.705 141 HD1 TYR 23 1HD TYR 23 -17.682 -7.228 -0.165 142 HD2 TYR 23 2HD TYR 23 -19.364 -6.694 3.697 143 HE1 TYR 23 1HE TYR 23 -19.806 -8.142 -0.964 144 HE2 TYR 23 2HE TYR 23 -21.496 -7.609 2.897 145 HH TYR 23 HH TYR 23 -22.670 -7.805 0.647 146 H GLU 24 H GLU 24 -14.072 -6.059 1.659 147 HA GLU 24 HA GLU 24 -12.717 -6.039 4.292 148 1HB GLU 24 2HB GLU 24 -11.640 -5.919 1.518 149 2HB GLU 24 1HB GLU 24 -10.675 -5.870 2.965 150 1HG GLU 24 2HG GLU 24 -11.737 -8.078 3.611 151 2HG GLU 24 1HG GLU 24 -12.555 -8.053 2.048 152 H CYS 25 H CYS 25 -11.266 -4.481 4.729 153 HA CYS 25 HA CYS 25 -11.816 -1.764 3.926 154 1HB CYS 25 2HB CYS 25 -11.557 -3.035 6.631 155 2HB CYS 25 1HB CYS 25 -11.268 -1.339 6.446 156 H LEU 26 H LEU 26 -9.928 -2.482 2.504 157 HA LEU 26 HA LEU 26 -7.336 -2.788 3.762 158 1HB LEU 26 2HB LEU 26 -7.665 -1.831 0.912 159 2HB LEU 26 1HB LEU 26 -6.488 -2.885 1.608 160 HG LEU 26 HG LEU 26 -9.345 -3.739 1.180 161 1HD1 LEU 26 1HD1 LEU 26 -8.163 -3.535 -0.956 162 2HD1 LEU 26 2HD1 LEU 26 -8.389 -5.226 -0.576 163 3HD1 LEU 26 3HD1 LEU 26 -6.824 -4.493 -0.342 164 1HD2 LEU 26 1HD2 LEU 26 -6.962 -5.356 2.137 165 2HD2 LEU 26 2HD2 LEU 26 -8.561 -5.986 1.767 166 3HD2 LEU 26 3HD2 LEU 26 -8.346 -4.889 3.118 167 H CYS 27 H CYS 27 -5.635 -1.134 2.688 168 HA CYS 27 HA CYS 27 -6.411 1.508 3.725 169 1HB CYS 27 2HB CYS 27 -3.769 0.275 3.107 170 2HB CYS 27 1HB CYS 27 -3.970 1.933 3.559 171 HA PRO 28 HA PRO 28 -7.102 3.464 -0.289 172 1HB PRO 28 2HB PRO 28 -5.598 5.500 1.332 173 2HB PRO 28 1HB PRO 28 -6.921 5.746 0.227 174 1HG PRO 28 2HG PRO 28 -7.498 5.649 2.749 175 2HG PRO 28 1HG PRO 28 -8.485 4.661 1.649 176 1HD PRO 28 2HD PRO 28 -6.316 3.811 3.509 177 2HD PRO 28 1HD PRO 28 -7.816 2.978 3.047 178 H ASP 29 H ASP 29 -4.106 3.770 1.369 179 HA ASP 29 HA ASP 29 -2.470 4.537 -0.895 180 1HB ASP 29 2HB ASP 29 -0.642 4.361 0.836 181 2HB ASP 29 1HB ASP 29 -1.975 5.391 1.316 182 H GLY 30 H GLY 30 -0.290 3.430 -1.018 183 1HA GLY 30 2HA GLY 30 -0.515 1.065 -2.434 184 2HA GLY 30 1HA GLY 30 0.986 1.723 -1.835 185 H PHE 31 H PHE 31 -0.282 1.251 1.068 186 HA PHE 31 HA PHE 31 1.004 -1.310 1.374 187 1HB PHE 31 2HB PHE 31 -0.720 0.214 3.343 188 2HB PHE 31 1HB PHE 31 0.554 -0.909 3.720 189 HD1 PHE 31 1HD PHE 31 0.181 2.431 3.986 190 HD2 PHE 31 2HD PHE 31 2.652 -0.292 1.876 191 HE1 PHE 31 1HE PHE 31 1.892 4.170 3.720 192 HE2 PHE 31 2HE PHE 31 4.364 1.428 1.608 193 HZ PHE 31 HZ PHE 31 4.000 3.651 2.528 194 H GLN 32 H GLN 32 0.191 -3.102 2.253 195 HA GLN 32 HA GLN 32 -2.537 -3.891 1.390 196 1HB GLN 32 2HB GLN 32 0.048 -5.416 1.786 197 2HB GLN 32 1HB GLN 32 -1.479 -6.229 1.650 198 1HG GLN 32 2HG GLN 32 -0.300 -6.141 -0.533 199 2HG GLN 32 1HG GLN 32 -1.812 -5.262 -0.611 200 1HE2 GLN 32 1HE2 GLN 32 -1.476 -3.590 -1.989 201 2HE2 GLN 32 2HE2 GLN 32 -0.155 -2.530 -1.965 202 H LEU 33 H LEU 33 -3.982 -4.433 2.858 203 HA LEU 33 HA LEU 33 -3.447 -4.179 5.689 204 1HB LEU 33 2HB LEU 33 -5.670 -3.821 4.348 205 2HB LEU 33 1HB LEU 33 -5.876 -5.550 4.447 206 HG LEU 33 HG LEU 33 -5.501 -5.221 7.031 207 1HD1 LEU 33 1HD1 LEU 33 -6.163 -2.375 6.172 208 2HD1 LEU 33 2HD1 LEU 33 -4.639 -2.891 6.865 209 3HD1 LEU 33 3HD1 LEU 33 -6.099 -2.924 7.830 210 1HD2 LEU 33 1HD2 LEU 33 -8.037 -4.147 5.761 211 2HD2 LEU 33 2HD2 LEU 33 -7.875 -4.683 7.421 212 3HD2 LEU 33 3HD2 LEU 33 -7.698 -5.833 6.108 213 H VAL 34 H VAL 34 -2.117 -5.671 6.578 214 HA VAL 34 HA VAL 34 -2.679 -8.569 6.054 215 HB VAL 34 HB VAL 34 0.012 -7.224 6.604 216 1HG1 VAL 34 1HG1 VAL 34 -0.124 -9.521 7.618 217 2HG1 VAL 34 2HG1 VAL 34 0.968 -9.501 6.248 218 3HG1 VAL 34 3HG1 VAL 34 -0.647 -10.166 6.072 219 1HG2 VAL 34 1HG2 VAL 34 0.555 -7.982 4.294 220 2HG2 VAL 34 2HG2 VAL 34 -0.833 -6.914 4.268 221 3HG2 VAL 34 3HG2 VAL 34 -1.063 -8.645 4.121 222 H ALA 35 H ALA 35 -1.265 -6.365 8.417 223 HA ALA 35 HA ALA 35 -1.635 -8.215 10.563 224 1HB ALA 35 1HB ALA 35 -0.654 -5.345 10.520 225 2HB ALA 35 2HB ALA 35 0.338 -6.787 10.504 226 3HB ALA 35 3HB ALA 35 -0.598 -6.386 11.933 227 H GLN 36 H GLN 36 -4.013 -8.083 9.794 228 HA GLN 36 HA GLN 36 -6.210 -7.841 10.420 229 1HB GLN 36 2HB GLN 36 -5.077 -6.377 12.869 230 2HB GLN 36 1HB GLN 36 -6.718 -6.950 12.690 231 1HG GLN 36 2HG GLN 36 -5.915 -9.286 12.479 232 2HG GLN 36 1HG GLN 36 -4.248 -8.739 12.611 233 1HE2 GLN 36 1HE2 GLN 36 -3.566 -7.784 14.689 234 2HE2 GLN 36 2HE2 GLN 36 -4.418 -8.148 16.112 235 H ARG 37 H ARG 37 -5.065 -4.769 11.743 236 HA ARG 37 HA ARG 37 -6.762 -3.315 9.748 237 1HB ARG 37 2HB ARG 37 -6.173 -2.592 12.640 238 2HB ARG 37 1HB ARG 37 -7.112 -1.599 11.551 239 1HG ARG 37 2HG ARG 37 -7.782 -4.403 12.550 240 2HG ARG 37 1HG ARG 37 -8.532 -2.915 13.084 241 1HD ARG 37 2HD ARG 37 -8.670 -4.033 10.263 242 2HD ARG 37 1HD ARG 37 -9.953 -4.069 11.472 243 HE ARG 37 HE ARG 37 -9.093 -1.365 11.083 244 1HH1 ARG 37 2HH1 ARG 37 -10.832 -3.928 9.533 245 2HH1 ARG 37 1HH1 ARG 37 -11.827 -2.854 8.610 246 1HH2 ARG 37 1HH2 ARG 37 -10.345 0.023 9.914 247 2HH2 ARG 37 2HH2 ARG 37 -11.547 -0.587 8.826 248 H ARG 38 H ARG 38 -3.673 -3.955 10.661 249 HA ARG 38 HA ARG 38 -2.592 -1.303 9.911 250 1HB ARG 38 2HB ARG 38 -1.411 -3.672 11.380 251 2HB ARG 38 1HB ARG 38 -0.520 -2.236 10.948 252 1HG ARG 38 2HG ARG 38 -2.158 -0.878 12.324 253 2HG ARG 38 1HG ARG 38 -3.011 -2.357 12.729 254 1HD ARG 38 2HD ARG 38 -1.453 -1.719 14.554 255 2HD ARG 38 1HD ARG 38 -0.949 -3.243 13.826 256 HE ARG 38 HE ARG 38 0.324 -1.020 12.505 257 1HH1 ARG 38 2HH1 ARG 38 0.370 -2.925 15.400 258 2HH1 ARG 38 1HH1 ARG 38 2.053 -2.644 15.695 259 1HH2 ARG 38 1HH2 ARG 38 2.455 -0.648 12.858 260 2HH2 ARG 38 2HH2 ARG 38 3.252 -1.334 14.235 261 H CYS 39 H CYS 39 -2.206 -1.168 7.873 262 HA CYS 39 HA CYS 39 -1.398 -3.479 6.237 263 1HB CYS 39 2HB CYS 39 -1.794 -1.914 4.333 264 2HB CYS 39 1HB CYS 39 -3.192 -2.095 5.362 265 H GLU 40 H GLU 40 0.325 -3.373 4.725 266 HA GLU 40 HA GLU 40 2.340 -1.272 4.852 267 1HB GLU 40 2HB GLU 40 2.905 -2.692 6.908 268 2HB GLU 40 1HB GLU 40 3.122 -4.058 5.835 269 1HG GLU 40 2HG GLU 40 4.921 -2.923 4.605 270 2HG GLU 40 1HG GLU 40 4.659 -1.431 5.464 271 H ASP 41 H ASP 41 3.918 -1.507 3.259 272 HA ASP 41 HA ASP 41 3.063 -2.900 0.867 273 1HB ASP 41 2HB ASP 41 4.081 -0.671 0.664 274 2HB ASP 41 1HB ASP 41 5.513 -1.199 1.510 275 H ILE 42 H ILE 42 4.657 -4.145 -0.432 276 HA ILE 42 HA ILE 42 5.450 -6.466 0.938 277 HB ILE 42 HB ILE 42 4.896 -6.428 -1.506 278 1HG1 ILE 42 2HG1 ILE 42 7.773 -7.348 -0.994 279 2HG1 ILE 42 1HG1 ILE 42 6.343 -8.270 -0.575 280 1HG2 ILE 42 1HG2 ILE 42 6.534 -5.472 -3.145 281 2HG2 ILE 42 2HG2 ILE 42 7.545 -4.916 -1.827 282 3HG2 ILE 42 3HG2 ILE 42 5.947 -4.234 -2.066 283 1HD1 ILE 42 1HD1 ILE 42 7.152 -7.459 -3.407 284 2HD1 ILE 42 2HD1 ILE 42 5.712 -8.372 -2.983 285 3HD1 ILE 42 3HD1 ILE 42 7.305 -9.057 -2.705 286 H ASP 43 H ASP 43 7.595 -7.221 1.443 287 HA ASP 43 HA ASP 43 9.417 -5.031 2.194 288 1HB ASP 43 2HB ASP 43 8.938 -6.949 3.762 289 2HB ASP 43 1HB ASP 43 9.744 -8.035 2.644 290 H GLU 44 H GLU 44 10.383 -4.275 0.468 291 HA GLU 44 HA GLU 44 11.536 -5.985 -1.597 292 1HB GLU 44 2HB GLU 44 12.167 -3.832 -2.653 293 2HB GLU 44 1HB GLU 44 10.472 -3.907 -2.271 294 1HG GLU 44 2HG GLU 44 12.482 -2.500 -0.466 295 2HG GLU 44 1HG GLU 44 11.578 -1.709 -1.735 296 H CYS 45 H CYS 45 12.630 -4.943 1.467 297 HA CYS 45 HA CYS 45 15.335 -4.443 0.733 298 1HB CYS 45 2HB CYS 45 13.957 -4.951 3.360 299 2HB CYS 45 1HB CYS 45 15.663 -4.788 3.275 300 H GLN 46 H GLN 46 13.995 -6.836 2.879 301 HA GLN 46 HA GLN 46 15.994 -8.708 3.001 302 1HB GLN 46 2HB GLN 46 12.981 -9.169 2.973 303 2HB GLN 46 1HB GLN 46 14.149 -10.313 3.582 304 1HG GLN 46 2HG GLN 46 13.694 -7.494 4.689 305 2HG GLN 46 1HG GLN 46 13.142 -8.981 5.440 306 1HE2 GLN 46 1HE2 GLN 46 14.871 -10.513 6.193 307 2HE2 GLN 46 2HE2 GLN 46 16.386 -9.887 6.635 308 H ASP 47 H ASP 47 13.418 -8.467 0.669 309 HA ASP 47 HA ASP 47 14.227 -10.733 -0.858 310 1HB ASP 47 2HB ASP 47 11.845 -10.043 -0.789 311 2HB ASP 47 1HB ASP 47 12.262 -8.487 -1.484 312 HA PRO 48 HA PRO 48 17.300 -8.379 -3.121 313 1HB PRO 48 2HB PRO 48 17.652 -10.042 -5.289 314 2HB PRO 48 1HB PRO 48 18.300 -10.405 -3.710 315 1HG PRO 48 2HG PRO 48 15.792 -11.433 -4.970 316 2HG PRO 48 1HG PRO 48 17.021 -12.307 -4.040 317 1HD PRO 48 2HD PRO 48 14.678 -11.532 -2.963 318 2HD PRO 48 1HD PRO 48 16.174 -11.611 -2.015 319 H ASP 49 H ASP 49 15.935 -6.656 -3.495 320 HA ASP 49 HA ASP 49 14.926 -6.418 -6.273 321 1HB ASP 49 2HB ASP 49 12.979 -6.947 -4.857 322 2HB ASP 49 1HB ASP 49 13.415 -5.667 -3.742 323 H THR 50 H THR 50 15.484 -4.646 -3.267 324 HA THR 50 HA THR 50 15.842 -2.107 -4.552 325 HB THR 50 HB THR 50 16.638 -1.459 -2.190 326 HG1 THR 50 1HG THR 50 16.066 -4.211 -1.829 327 1HG2 THR 50 1HG2 THR 50 14.100 -3.137 -2.308 328 2HG2 THR 50 2HG2 THR 50 14.177 -1.455 -2.791 329 3HG2 THR 50 3HG2 THR 50 14.463 -1.897 -1.115 330 H CYS 51 H CYS 51 18.408 -2.931 -2.321 331 HA CYS 51 HA CYS 51 20.354 -2.430 -4.509 332 1HB CYS 51 2HB CYS 51 20.497 -2.152 -1.529 333 2HB CYS 51 1HB CYS 51 21.780 -1.767 -2.647 334 H SER 52 H SER 52 22.658 -3.355 -3.627 335 HA SER 52 HA SER 52 22.298 -6.302 -3.721 336 1HB SER 52 2HB SER 52 23.822 -5.190 -5.370 337 2HB SER 52 1HB SER 52 24.817 -4.585 -4.038 338 HG SER 52 HG SER 52 25.186 -6.804 -5.143 339 H GLN 53 H GLN 53 22.057 -4.394 -1.327 340 HA GLN 53 HA GLN 53 23.456 -6.139 0.583 341 1HB GLN 53 2HB GLN 53 24.099 -3.694 1.702 342 2HB GLN 53 1HB GLN 53 25.138 -4.657 0.744 343 1HG GLN 53 2HG GLN 53 25.064 -2.277 0.063 344 2HG GLN 53 1HG GLN 53 24.402 -3.224 -1.242 345 1HE2 GLN 53 1HE2 GLN 53 23.815 -0.578 -1.238 346 2HE2 GLN 53 2HE2 GLN 53 22.200 -0.303 -0.794 347 H LEU 54 H LEU 54 23.243 -4.691 2.806 348 HA LEU 54 HA LEU 54 20.759 -5.433 3.817 349 1HB LEU 54 2HB LEU 54 22.794 -5.361 5.038 350 2HB LEU 54 1HB LEU 54 23.053 -3.671 4.696 351 HG LEU 54 HG LEU 54 20.627 -4.560 6.319 352 1HD1 LEU 54 1HD1 LEU 54 22.061 -4.121 8.288 353 2HD1 LEU 54 2HD1 LEU 54 23.440 -3.788 7.237 354 3HD1 LEU 54 3HD1 LEU 54 22.771 -5.415 7.324 355 1HD2 LEU 54 1HD2 LEU 54 20.922 -2.224 7.145 356 2HD2 LEU 54 2HD2 LEU 54 20.859 -2.150 5.400 357 3HD2 LEU 54 3HD2 LEU 54 22.407 -2.089 6.208 358 H CYS 55 H CYS 55 19.177 -4.236 4.694 359 HA CYS 55 HA CYS 55 18.668 -1.446 3.994 360 1HB CYS 55 2HB CYS 55 18.265 -2.515 1.871 361 2HB CYS 55 1HB CYS 55 17.307 -3.745 2.572 362 H VAL 56 H VAL 56 16.318 -0.912 4.546 363 HA VAL 56 HA VAL 56 15.299 -2.422 6.857 364 HB VAL 56 HB VAL 56 14.936 -0.169 7.889 365 1HG1 VAL 56 1HG1 VAL 56 17.343 0.093 8.637 366 2HG1 VAL 56 2HG1 VAL 56 17.850 -0.911 7.290 367 3HG1 VAL 56 3HG1 VAL 56 16.883 -1.599 8.582 368 1HG2 VAL 56 1HG2 VAL 56 15.165 1.331 5.926 369 2HG2 VAL 56 2HG2 VAL 56 16.840 0.844 5.749 370 3HG2 VAL 56 3HG2 VAL 56 16.331 1.753 7.154 371 H ASN 57 H ASN 57 13.365 -3.033 6.332 372 HA ASN 57 HA ASN 57 11.689 -1.649 4.374 373 1HB ASN 57 2HB ASN 57 11.909 -4.111 4.352 374 2HB ASN 57 1HB ASN 57 11.206 -4.149 5.966 375 1HD2 ASN 57 1HD2 ASN 57 9.243 -5.177 5.632 376 2HD2 ASN 57 2HD2 ASN 57 8.052 -4.620 4.559 377 H LEU 58 H LEU 58 9.574 -1.240 4.634 378 HA LEU 58 HA LEU 58 7.811 -1.089 6.778 379 1HB LEU 58 2HB LEU 58 7.912 1.216 7.612 380 2HB LEU 58 1HB LEU 58 9.425 0.456 7.931 381 HG LEU 58 HG LEU 58 9.079 2.189 5.465 382 1HD1 LEU 58 1HD1 LEU 58 10.068 4.040 6.865 383 2HD1 LEU 58 2HD1 LEU 58 10.062 2.995 8.276 384 3HD1 LEU 58 3HD1 LEU 58 8.546 3.530 7.569 385 1HD2 LEU 58 1HD2 LEU 58 11.056 0.746 5.555 386 2HD2 LEU 58 2HD2 LEU 58 11.468 1.377 7.144 387 3HD2 LEU 58 3HD2 LEU 58 11.516 2.421 5.740 388 H GLU 59 H GLU 59 6.772 1.451 6.326 389 HA GLU 59 HA GLU 59 5.364 1.019 3.840 390 1HB GLU 59 2HB GLU 59 5.075 2.895 6.176 391 2HB GLU 59 1HB GLU 59 4.178 3.305 4.774 392 1HG GLU 59 2HG GLU 59 2.630 2.010 6.039 393 2HG GLU 59 1HG GLU 59 3.261 0.859 4.915 394 H GLY 60 H GLY 60 6.649 1.280 2.273 395 1HA GLY 60 2HA GLY 60 7.639 2.291 0.483 396 2HA GLY 60 1HA GLY 60 6.627 3.662 0.884 397 H GLY 61 H GLY 61 8.226 3.357 3.575 398 1HA GLY 61 2HA GLY 61 10.228 5.416 2.958 399 2HA GLY 61 1HA GLY 61 9.762 4.834 4.558 400 H TYR 62 H TYR 62 10.237 2.219 2.771 401 HA TYR 62 HA TYR 62 12.480 1.284 4.146 402 1HB TYR 62 2HB TYR 62 12.612 -0.532 2.466 403 2HB TYR 62 1HB TYR 62 10.921 -0.165 2.759 404 HD1 TYR 62 1HD TYR 62 9.586 1.042 1.031 405 HD2 TYR 62 2HD TYR 62 13.691 0.098 0.394 406 HE1 TYR 62 1HE TYR 62 9.349 1.557 -1.353 407 HE2 TYR 62 2HE TYR 62 13.454 0.612 -1.975 408 HH TYR 62 HH TYR 62 11.112 0.574 -3.631 409 H LYS 63 H LYS 63 14.660 1.031 3.685 410 HA LYS 63 HA LYS 63 15.741 2.393 1.299 411 1HB LYS 63 2HB LYS 63 15.347 4.218 2.844 412 2HB LYS 63 1HB LYS 63 16.348 3.447 4.074 413 1HG LYS 63 2HG LYS 63 18.320 3.708 2.555 414 2HG LYS 63 1HG LYS 63 17.300 4.496 1.372 415 1HD LYS 63 2HD LYS 63 17.877 5.475 4.207 416 2HD LYS 63 1HD LYS 63 18.599 6.116 2.748 417 1HE LYS 63 2HE LYS 63 16.346 6.851 1.951 418 2HE LYS 63 1HE LYS 63 15.625 6.232 3.432 419 1HZ LYS 63 1HZ LYS 63 17.861 8.064 3.724 420 2HZ LYS 63 2HZ LYS 63 16.457 7.886 4.664 421 3HZ LYS 63 3HZ LYS 63 16.388 8.710 3.181 422 H CYS 64 H CYS 64 17.810 2.286 1.022 423 HA CYS 64 HA CYS 64 19.083 -0.222 1.889 424 1HB CYS 64 2HB CYS 64 19.986 1.815 -0.120 425 2HB CYS 64 1HB CYS 64 20.675 0.260 0.149 426 H GLN 65 H GLN 65 21.228 -0.349 2.392 427 HA GLN 65 HA GLN 65 22.838 1.907 3.362 428 1HB GLN 65 2HB GLN 65 22.188 -0.316 5.321 429 2HB GLN 65 1HB GLN 65 23.060 1.146 5.633 430 1HG GLN 65 2HG GLN 65 21.062 2.546 5.386 431 2HG GLN 65 1HG GLN 65 20.083 1.118 5.049 432 1HE2 GLN 65 1HE2 GLN 65 22.038 2.685 7.580 433 2HE2 GLN 65 2HE2 GLN 65 21.328 1.844 8.872 434 H CYS 66 H CYS 66 24.771 0.471 4.641 435 HA CYS 66 HA CYS 66 25.603 -1.410 2.509 436 1HB CYS 66 2HB CYS 66 27.346 -0.345 4.680 437 2HB CYS 66 1HB CYS 66 27.745 -1.078 3.242 438 H GLU 67 H GLU 67 26.288 -3.281 2.847 439 HA GLU 67 HA GLU 67 25.424 -4.823 5.208 440 1HB GLU 67 2HB GLU 67 24.936 -5.528 2.829 441 2HB GLU 67 1HB GLU 67 26.645 -5.683 2.519 442 1HG GLU 67 2HG GLU 67 25.072 -7.335 4.539 443 2HG GLU 67 1HG GLU 67 25.453 -7.864 2.918 444 H GLU 68 H GLU 68 26.983 -3.477 6.366 445 HA GLU 68 HA GLU 68 28.939 -3.093 7.515 446 1HB GLU 68 2HB GLU 68 29.163 -6.088 6.991 447 2HB GLU 68 1HB GLU 68 30.180 -5.228 8.123 448 1HG GLU 68 2HG GLU 68 28.265 -6.287 9.290 449 2HG GLU 68 1HG GLU 68 28.176 -4.545 9.435 450 H GLY 69 H GLY 69 30.347 -5.555 5.439 451 1HA GLY 69 2HA GLY 69 32.798 -4.252 5.059 452 2HA GLY 69 1HA GLY 69 32.210 -5.586 4.080 453 H PHE 70 H PHE 70 29.790 -3.767 3.509 454 HA PHE 70 HA PHE 70 30.782 -2.739 1.061 455 1HB PHE 70 2HB PHE 70 28.090 -2.733 2.407 456 2HB PHE 70 1HB PHE 70 28.323 -1.956 0.855 457 HD1 PHE 70 1HD PHE 70 29.885 -5.222 1.882 458 HD2 PHE 70 2HD PHE 70 26.848 -3.287 -0.360 459 HE1 PHE 70 1HE PHE 70 29.357 -7.345 0.792 460 HE2 PHE 70 2HE PHE 70 26.319 -5.408 -1.466 461 HZ PHE 70 HZ PHE 70 27.570 -7.448 -0.895 462 H GLN 71 H GLN 71 30.431 -0.531 0.325 463 HA GLN 71 HA GLN 71 30.514 1.509 2.432 464 1HB GLN 71 2HB GLN 71 32.369 0.980 0.131 465 2HB GLN 71 1HB GLN 71 32.108 2.629 0.573 466 1HG GLN 71 2HG GLN 71 33.008 0.456 2.529 467 2HG GLN 71 1HG GLN 71 34.080 1.648 1.794 468 1HE2 GLN 71 1HE2 GLN 71 33.808 1.623 4.582 469 2HE2 GLN 71 2HE2 GLN 71 32.956 3.001 5.093 470 H LEU 72 H LEU 72 30.403 3.631 1.507 471 HA LEU 72 HA LEU 72 27.850 3.768 0.042 472 1HB LEU 72 2HB LEU 72 28.309 5.267 1.972 473 2HB LEU 72 1HB LEU 72 29.598 6.032 1.065 474 HG LEU 72 HG LEU 72 27.888 6.611 -0.735 475 1HD1 LEU 72 1HD1 LEU 72 25.486 6.516 -0.152 476 2HD1 LEU 72 2HD1 LEU 72 25.869 5.660 1.329 477 3HD1 LEU 72 3HD1 LEU 72 26.172 4.910 -0.228 478 1HD2 LEU 72 1HD2 LEU 72 28.557 8.274 0.988 479 2HD2 LEU 72 2HD2 LEU 72 27.307 7.670 2.069 480 3HD2 LEU 72 3HD2 LEU 72 26.861 8.474 0.569 481 H ASP 73 H ASP 73 28.092 3.304 -2.049 482 HA ASP 73 HA ASP 73 30.307 4.221 -3.696 483 1HB ASP 73 2HB ASP 73 28.894 2.176 -4.263 484 2HB ASP 73 1HB ASP 73 27.563 3.259 -4.645 485 HA PRO 74 HA PRO 74 28.472 8.316 -4.150 486 1HB PRO 74 2HB PRO 74 30.281 9.456 -5.753 487 2HB PRO 74 1HB PRO 74 30.694 9.008 -4.115 488 1HG PRO 74 2HG PRO 74 31.242 7.483 -6.635 489 2HG PRO 74 1HG PRO 74 32.338 7.864 -5.293 490 1HD PRO 74 2HD PRO 74 31.079 5.467 -5.525 491 2HD PRO 74 1HD PRO 74 31.511 6.183 -3.959 492 H HIS 75 H HIS 75 27.708 9.741 -5.781 493 HA HIS 75 HA HIS 75 26.414 10.303 -7.627 494 1HB HIS 75 2HB HIS 75 28.031 8.130 -9.040 495 2HB HIS 75 1HB HIS 75 27.083 9.387 -9.818 496 HD1 HIS 75 1HD HIS 75 30.180 8.985 -7.815 497 HD2 HIS 75 2HD HIS 75 28.287 11.940 -9.901 498 HE1 HIS 75 1HE HIS 75 31.774 10.864 -7.958 499 H THR 76 H THR 76 26.125 7.545 -6.072 500 HA THR 76 HA THR 76 23.564 6.787 -7.381 501 HB THR 76 HB THR 76 24.165 4.347 -7.035 502 HG1 THR 76 1HG THR 76 26.658 5.518 -6.383 503 1HG2 THR 76 1HG2 THR 76 26.385 5.816 -8.591 504 2HG2 THR 76 2HG2 THR 76 24.822 5.434 -9.293 505 3HG2 THR 76 3HG2 THR 76 25.908 4.142 -8.809 506 H LYS 77 H LYS 77 25.677 6.598 -4.722 507 HA LYS 77 HA LYS 77 25.427 6.674 -2.403 508 1HB LYS 77 2HB LYS 77 22.610 7.127 -3.033 509 2HB LYS 77 1HB LYS 77 23.281 7.320 -1.436 510 1HG LYS 77 2HG LYS 77 24.859 9.060 -2.357 511 2HG LYS 77 1HG LYS 77 24.068 8.922 -3.920 512 1HD LYS 77 2HD LYS 77 21.907 9.611 -2.894 513 2HD LYS 77 1HD LYS 77 22.692 9.752 -1.329 514 1HE LYS 77 2HE LYS 77 24.216 11.500 -2.254 515 2HE LYS 77 1HE LYS 77 23.417 11.364 -3.816 516 1HZ LYS 77 1HZ LYS 77 21.309 11.898 -2.584 517 2HZ LYS 77 2HZ LYS 77 22.434 13.161 -2.748 518 3HZ LYS 77 3HZ LYS 77 22.292 12.337 -1.270 519 H ALA 78 H ALA 78 24.460 4.354 -4.351 520 HA ALA 78 HA ALA 78 23.008 2.573 -2.488 521 1HB ALA 78 1HB ALA 78 23.103 0.983 -4.350 522 2HB ALA 78 2HB ALA 78 24.183 2.052 -5.239 523 3HB ALA 78 3HB ALA 78 22.518 2.538 -4.934 524 H CYS 79 H CYS 79 24.032 1.191 -1.219 525 HA CYS 79 HA CYS 79 26.942 1.242 -1.150 526 1HB CYS 79 2HB CYS 79 24.951 -0.319 0.454 527 2HB CYS 79 1HB CYS 79 26.659 -0.423 0.721 528 H LYS 80 H LYS 80 28.314 -0.486 -1.194 529 HA LYS 80 HA LYS 80 27.522 -3.105 -2.241 530 1HB LYS 80 2HB LYS 80 28.939 -3.093 -3.992 531 2HB LYS 80 1HB LYS 80 27.603 -1.988 -4.344 532 1HG LYS 80 2HG LYS 80 29.144 -0.050 -3.615 533 2HG LYS 80 1HG LYS 80 30.474 -1.184 -3.577 534 1HD LYS 80 2HD LYS 80 28.856 -0.487 -6.057 535 2HD LYS 80 1HD LYS 80 30.438 0.144 -5.666 536 1HE LYS 80 2HE LYS 80 30.686 -1.665 -7.294 537 2HE LYS 80 1HE LYS 80 31.379 -2.177 -5.767 538 1HZ LYS 80 1HZ LYS 80 29.658 -3.610 -7.186 539 2HZ LYS 80 2HZ LYS 80 28.589 -2.829 -6.124 540 3HZ LYS 80 3HZ LYS 80 29.868 -3.765 -5.509 541 H ALA 81 H ALA 81 29.399 -4.576 -2.225 542 HA ALA 81 HA ALA 81 31.122 -4.492 -0.060 543 1HB ALA 81 1HB ALA 81 30.781 -6.493 -1.454 544 2HB ALA 81 2HB ALA 81 32.497 -6.168 -1.269 545 3HB ALA 81 3HB ALA 81 31.679 -5.751 -2.768 546 H VAL 82 H VAL 82 32.717 -3.195 0.551 547 HA VAL 82 HA VAL 82 33.767 -1.061 -0.824 548 HB VAL 82 HB VAL 82 34.042 -1.451 1.605 549 1HG1 VAL 82 1HG1 VAL 82 35.789 -3.007 2.446 550 2HG1 VAL 82 2HG1 VAL 82 36.141 -3.529 0.808 551 3HG1 VAL 82 3HG1 VAL 82 34.593 -3.901 1.528 552 1HG2 VAL 82 1HG2 VAL 82 36.714 -1.068 0.190 553 2HG2 VAL 82 2HG2 VAL 82 36.363 -0.621 1.850 554 3HG2 VAL 82 3HG2 VAL 82 35.539 0.190 0.531 Start of MODEL 21 1 H GLY 1 H GLY 1 -20.660 -5.047 -4.178 2 1HA GLY 1 2HA GLY 1 -22.886 -5.746 -5.952 3 2HA GLY 1 1HA GLY 1 -23.150 -6.102 -4.241 4 H THR 2 H THR 2 -23.831 -4.488 -2.969 5 HA THR 2 HA THR 2 -24.713 -2.040 -3.953 6 HB THR 2 HB THR 2 -25.695 -3.015 -1.972 7 HG1 THR 2 1HG THR 2 -25.735 -1.153 -0.757 8 1HG2 THR 2 1HG2 THR 2 -23.052 -2.257 -0.621 9 2HG2 THR 2 2HG2 THR 2 -23.523 -3.916 -0.972 10 3HG2 THR 2 3HG2 THR 2 -24.450 -2.966 0.185 11 H ASN 3 H ASN 3 -24.200 0.062 -3.062 12 HA ASN 3 HA ASN 3 -21.294 0.639 -3.244 13 1HB ASN 3 2HB ASN 3 -22.946 1.714 -4.828 14 2HB ASN 3 1HB ASN 3 -23.740 2.459 -3.455 15 1HD2 ASN 3 1HD2 ASN 3 -22.977 4.326 -5.106 16 2HD2 ASN 3 2HD2 ASN 3 -21.514 5.076 -4.675 17 H GLU 4 H GLU 4 -21.510 -0.453 -1.055 18 HA GLU 4 HA GLU 4 -22.613 0.987 1.173 19 1HB GLU 4 2HB GLU 4 -21.064 -0.668 2.451 20 2HB GLU 4 1HB GLU 4 -22.334 -1.356 1.467 21 1HG GLU 4 2HG GLU 4 -20.089 -2.454 1.243 22 2HG GLU 4 1HG GLU 4 -20.780 -1.956 -0.281 23 H CYS 5 H CYS 5 -20.044 1.756 -0.752 24 HA CYS 5 HA CYS 5 -18.067 2.605 1.050 25 1HB CYS 5 2HB CYS 5 -18.816 3.541 -1.703 26 2HB CYS 5 1HB CYS 5 -17.391 4.074 -0.872 27 H LEU 6 H LEU 6 -20.895 3.964 -0.265 28 HA LEU 6 HA LEU 6 -20.793 6.671 0.200 29 1HB LEU 6 2HB LEU 6 -23.132 4.789 0.629 30 2HB LEU 6 1HB LEU 6 -23.264 6.511 0.395 31 HG LEU 6 HG LEU 6 -22.142 4.495 -1.635 32 1HD1 LEU 6 1HD1 LEU 6 -24.705 6.128 -1.634 33 2HD1 LEU 6 2HD1 LEU 6 -24.588 4.395 -1.366 34 3HD1 LEU 6 3HD1 LEU 6 -24.167 5.072 -2.932 35 1HD2 LEU 6 1HD2 LEU 6 -22.072 6.421 -3.221 36 2HD2 LEU 6 2HD2 LEU 6 -21.024 6.746 -1.860 37 3HD2 LEU 6 3HD2 LEU 6 -22.602 7.509 -1.952 38 H ASP 7 H ASP 7 -21.633 4.107 2.411 39 HA ASP 7 HA ASP 7 -21.615 5.941 4.779 40 1HB ASP 7 2HB ASP 7 -23.627 4.393 4.277 41 2HB ASP 7 1HB ASP 7 -22.518 3.053 4.496 42 H ASN 8 H ASN 8 -20.947 3.921 6.568 43 HA ASN 8 HA ASN 8 -18.206 3.987 6.747 44 1HB ASN 8 2HB ASN 8 -20.052 1.879 7.582 45 2HB ASN 8 1HB ASN 8 -18.446 2.025 8.250 46 1HD2 ASN 8 1HD2 ASN 8 -21.702 3.259 8.363 47 2HD2 ASN 8 2HD2 ASN 8 -21.448 4.409 9.586 48 H ASN 9 H ASN 9 -16.608 3.055 5.443 49 HA ASN 9 HA ASN 9 -16.983 1.677 3.110 50 1HB ASN 9 2HB ASN 9 -14.628 1.520 5.040 51 2HB ASN 9 1HB ASN 9 -14.572 0.980 3.382 52 1HD2 ASN 9 1HD2 ASN 9 -16.526 3.819 3.896 53 2HD2 ASN 9 2HD2 ASN 9 -15.389 4.936 3.324 54 H GLY 10 H GLY 10 -18.635 0.160 3.497 55 1HA GLY 10 2HA GLY 10 -19.422 -2.009 3.630 56 2HA GLY 10 1HA GLY 10 -17.741 -2.509 3.738 57 H GLY 11 H GLY 11 -18.018 -0.350 6.102 58 1HA GLY 11 2HA GLY 11 -19.349 -0.698 8.279 59 2HA GLY 11 1HA GLY 11 -18.611 -2.309 8.260 60 H CYS 12 H CYS 12 -16.762 0.176 6.834 61 HA CYS 12 HA CYS 12 -15.131 0.706 9.226 62 1HB CYS 12 2HB CYS 12 -14.338 -0.304 6.493 63 2HB CYS 12 1HB CYS 12 -13.222 0.361 7.606 64 H SER 13 H SER 13 -13.235 2.128 7.538 65 HA SER 13 HA SER 13 -14.587 4.107 5.966 66 1HB SER 13 2HB SER 13 -14.229 6.031 7.569 67 2HB SER 13 1HB SER 13 -15.304 4.823 8.280 68 HG SER 13 HG SER 13 -12.493 5.016 8.647 69 H HIS 14 H HIS 14 -12.500 2.286 5.877 70 HA HIS 14 HA HIS 14 -10.039 3.915 5.582 71 1HB HIS 14 2HB HIS 14 -10.483 0.897 5.769 72 2HB HIS 14 1HB HIS 14 -8.936 1.714 5.703 73 HD1 HIS 14 1HD HIS 14 -11.006 0.323 8.102 74 HD2 HIS 14 2HD HIS 14 -8.963 3.858 8.005 75 HE1 HIS 14 1HE HIS 14 -10.807 1.076 10.444 76 H VAL 15 H VAL 15 -10.871 0.906 3.994 77 HA VAL 15 HA VAL 15 -11.146 2.257 1.362 78 HB VAL 15 HB VAL 15 -9.342 -0.113 1.988 79 1HG1 VAL 15 1HG1 VAL 15 -9.933 1.217 -0.711 80 2HG1 VAL 15 2HG1 VAL 15 -10.466 -0.385 -0.238 81 3HG1 VAL 15 3HG1 VAL 15 -8.758 -0.062 -0.449 82 1HG2 VAL 15 1HG2 VAL 15 -8.340 2.074 2.563 83 2HG2 VAL 15 2HG2 VAL 15 -8.704 2.678 0.953 84 3HG2 VAL 15 3HG2 VAL 15 -7.543 1.378 1.160 85 H CYS 16 H CYS 16 -13.079 1.745 0.739 86 HA CYS 16 HA CYS 16 -14.414 -0.733 1.542 87 1HB CYS 16 2HB CYS 16 -16.279 0.256 0.319 88 2HB CYS 16 1HB CYS 16 -15.613 1.455 1.389 89 H ASN 17 H ASN 17 -12.787 -2.138 0.553 90 HA ASN 17 HA ASN 17 -12.621 -2.066 -2.429 91 1HB ASN 17 2HB ASN 17 -10.533 -2.265 -1.316 92 2HB ASN 17 1HB ASN 17 -11.061 -3.494 -0.219 93 1HD2 ASN 17 1HD2 ASN 17 -11.037 -5.683 -1.052 94 2HD2 ASN 17 2HD2 ASN 17 -10.438 -6.083 -2.584 95 H ASP 18 H ASP 18 -14.638 -2.302 -2.363 96 HA ASP 18 HA ASP 18 -16.372 -4.281 -1.422 97 1HB ASP 18 2HB ASP 18 -16.898 -1.982 -2.474 98 2HB ASP 18 1HB ASP 18 -16.718 -2.761 -4.029 99 H LEU 19 H LEU 19 -15.663 -6.175 -1.572 100 HA LEU 19 HA LEU 19 -14.730 -7.690 -3.741 101 1HB LEU 19 2HB LEU 19 -14.687 -7.999 -1.129 102 2HB LEU 19 1HB LEU 19 -16.295 -8.617 -1.324 103 HG LEU 19 HG LEU 19 -15.497 -10.468 -2.753 104 1HD1 LEU 19 1HD1 LEU 19 -12.781 -9.311 -1.996 105 2HD1 LEU 19 2HD1 LEU 19 -13.457 -9.262 -3.614 106 3HD1 LEU 19 3HD1 LEU 19 -13.038 -10.805 -2.892 107 1HD2 LEU 19 1HD2 LEU 19 -14.464 -11.679 -0.869 108 2HD2 LEU 19 2HD2 LEU 19 -15.794 -10.677 -0.332 109 3HD2 LEU 19 3HD2 LEU 19 -14.145 -10.150 -0.059 110 H LYS 20 H LYS 20 -16.104 -9.837 -4.261 111 HA LYS 20 HA LYS 20 -18.444 -8.947 -5.715 112 1HB LYS 20 2HB LYS 20 -18.604 -11.352 -6.374 113 2HB LYS 20 1HB LYS 20 -16.957 -10.783 -6.543 114 1HG LYS 20 2HG LYS 20 -16.391 -11.839 -4.319 115 2HG LYS 20 1HG LYS 20 -18.028 -12.476 -4.240 116 1HD LYS 20 2HD LYS 20 -17.695 -13.741 -6.319 117 2HD LYS 20 1HD LYS 20 -16.053 -13.129 -6.442 118 1HE LYS 20 2HE LYS 20 -15.500 -14.184 -4.245 119 2HE LYS 20 1HE LYS 20 -17.142 -14.803 -4.133 120 1HZ LYS 20 1HZ LYS 20 -15.185 -15.459 -6.254 121 2HZ LYS 20 2HZ LYS 20 -16.776 -16.046 -6.162 122 3HZ LYS 20 3HZ LYS 20 -15.645 -16.465 -4.966 123 H ILE 21 H ILE 21 -17.811 -11.015 -2.919 124 HA ILE 21 HA ILE 21 -20.293 -10.272 -1.573 125 HB ILE 21 HB ILE 21 -19.439 -13.121 -2.252 126 1HG1 ILE 21 2HG1 ILE 21 -21.937 -11.572 -3.109 127 2HG1 ILE 21 1HG1 ILE 21 -20.607 -12.034 -4.151 128 1HG2 ILE 21 1HG2 ILE 21 -20.314 -12.934 0.050 129 2HG2 ILE 21 2HG2 ILE 21 -21.467 -13.804 -0.941 130 3HG2 ILE 21 3HG2 ILE 21 -21.752 -12.112 -0.546 131 1HD1 ILE 21 1HD1 ILE 21 -22.481 -13.571 -4.463 132 2HD1 ILE 21 2HD1 ILE 21 -22.453 -14.012 -2.770 133 3HD1 ILE 21 3HD1 ILE 21 -21.094 -14.421 -3.806 134 H GLY 22 H GLY 22 -19.476 -9.627 0.380 135 1HA GLY 22 2HA GLY 22 -18.502 -10.021 2.491 136 2HA GLY 22 1HA GLY 22 -17.496 -11.239 1.746 137 H TYR 23 H TYR 23 -18.148 -7.971 0.996 138 HA TYR 23 HA TYR 23 -15.977 -6.831 -0.059 139 1HB TYR 23 2HB TYR 23 -17.472 -5.465 2.154 140 2HB TYR 23 1HB TYR 23 -16.644 -4.711 0.818 141 HD1 TYR 23 1HD TYR 23 -17.710 -6.837 -1.333 142 HD2 TYR 23 2HD TYR 23 -19.565 -4.447 1.653 143 HE1 TYR 23 1HE TYR 23 -19.799 -6.860 -2.608 144 HE2 TYR 23 2HE TYR 23 -21.655 -4.469 0.371 145 HH TYR 23 HH TYR 23 -21.988 -4.967 -2.573 146 H GLU 24 H GLU 24 -14.291 -5.364 0.565 147 HA GLU 24 HA GLU 24 -12.908 -6.273 3.010 148 1HB GLU 24 2HB GLU 24 -11.845 -5.060 0.520 149 2HB GLU 24 1HB GLU 24 -10.908 -5.645 1.848 150 1HG GLU 24 2HG GLU 24 -12.681 -7.353 0.050 151 2HG GLU 24 1HG GLU 24 -10.928 -7.333 0.033 152 H CYS 25 H CYS 25 -11.770 -5.025 4.105 153 HA CYS 25 HA CYS 25 -12.260 -2.168 4.301 154 1HB CYS 25 2HB CYS 25 -13.425 -3.460 6.015 155 2HB CYS 25 1HB CYS 25 -11.988 -4.365 6.368 156 H LEU 26 H LEU 26 -10.282 -2.615 2.726 157 HA LEU 26 HA LEU 26 -7.751 -3.285 3.954 158 1HB LEU 26 2HB LEU 26 -8.008 -1.703 1.392 159 2HB LEU 26 1HB LEU 26 -6.821 -2.865 1.864 160 HG LEU 26 HG LEU 26 -9.660 -3.670 1.237 161 1HD1 LEU 26 1HD1 LEU 26 -8.482 -2.944 -0.808 162 2HD1 LEU 26 2HD1 LEU 26 -8.691 -4.684 -0.813 163 3HD1 LEU 26 3HD1 LEU 26 -7.129 -3.995 -0.430 164 1HD2 LEU 26 1HD2 LEU 26 -7.219 -5.383 1.766 165 2HD2 LEU 26 2HD2 LEU 26 -8.800 -5.968 1.272 166 3HD2 LEU 26 3HD2 LEU 26 -8.607 -5.198 2.834 167 H CYS 27 H CYS 27 -5.959 -1.566 3.278 168 HA CYS 27 HA CYS 27 -6.546 0.879 4.823 169 1HB CYS 27 2HB CYS 27 -3.983 -0.480 4.118 170 2HB CYS 27 1HB CYS 27 -4.063 1.063 4.881 171 HA PRO 28 HA PRO 28 -6.405 3.780 1.445 172 1HB PRO 28 2HB PRO 28 -4.360 4.990 3.287 173 2HB PRO 28 1HB PRO 28 -5.608 5.784 2.364 174 1HG PRO 28 2HG PRO 28 -6.069 5.337 4.879 175 2HG PRO 28 1HG PRO 28 -7.345 4.927 3.713 176 1HD PRO 28 2HD PRO 28 -5.474 3.117 5.171 177 2HD PRO 28 1HD PRO 28 -7.172 2.877 4.705 178 H ASP 29 H ASP 29 -3.283 3.112 2.917 179 HA ASP 29 HA ASP 29 -1.769 3.703 0.518 180 1HB ASP 29 2HB ASP 29 0.159 3.089 1.909 181 2HB ASP 29 1HB ASP 29 -0.893 4.193 2.752 182 H GLY 30 H GLY 30 -0.034 2.268 -0.085 183 1HA GLY 30 2HA GLY 30 -0.904 0.100 -1.556 184 2HA GLY 30 1HA GLY 30 0.766 0.452 -1.218 185 H PHE 31 H PHE 31 -0.090 -0.150 1.829 186 HA PHE 31 HA PHE 31 1.013 -2.772 1.833 187 1HB PHE 31 2HB PHE 31 -0.653 -1.328 3.894 188 2HB PHE 31 1HB PHE 31 0.179 -2.808 4.199 189 HD1 PHE 31 1HD PHE 31 1.158 -1.088 6.046 190 HD2 PHE 31 2HD PHE 31 2.197 -1.003 1.891 191 HE1 PHE 31 1HE PHE 31 3.200 0.187 6.528 192 HE2 PHE 31 2HE PHE 31 4.182 0.249 2.396 193 HZ PHE 31 HZ PHE 31 4.704 0.837 4.693 194 H GLN 32 H GLN 32 0.021 -4.640 2.741 195 HA GLN 32 HA GLN 32 -2.576 -5.261 1.461 196 1HB GLN 32 2HB GLN 32 -0.319 -7.013 2.461 197 2HB GLN 32 1HB GLN 32 -1.771 -7.587 1.684 198 1HG GLN 32 2HG GLN 32 -1.178 -6.273 -0.374 199 2HG GLN 32 1HG GLN 32 0.281 -5.701 0.426 200 1HE2 GLN 32 1HE2 GLN 32 -0.940 -8.165 -1.557 201 2HE2 GLN 32 2HE2 GLN 32 0.333 -9.274 -1.375 202 H LEU 33 H LEU 33 -4.317 -5.764 2.629 203 HA LEU 33 HA LEU 33 -4.266 -5.528 5.531 204 1HB LEU 33 2HB LEU 33 -6.259 -4.935 3.982 205 2HB LEU 33 1HB LEU 33 -6.524 -6.654 3.800 206 HG LEU 33 HG LEU 33 -6.664 -6.790 6.370 207 1HD1 LEU 33 1HD1 LEU 33 -7.151 -4.658 7.554 208 2HD1 LEU 33 2HD1 LEU 33 -6.839 -3.757 6.086 209 3HD1 LEU 33 3HD1 LEU 33 -5.537 -4.619 6.880 210 1HD2 LEU 33 1HD2 LEU 33 -8.706 -6.853 4.990 211 2HD2 LEU 33 2HD2 LEU 33 -8.762 -5.098 4.973 212 3HD2 LEU 33 3HD2 LEU 33 -8.991 -5.966 6.477 213 H VAL 34 H VAL 34 -3.586 -7.194 6.807 214 HA VAL 34 HA VAL 34 -4.053 -9.997 5.861 215 HB VAL 34 HB VAL 34 -1.506 -8.908 7.150 216 1HG1 VAL 34 1HG1 VAL 34 -0.608 -11.205 6.809 217 2HG1 VAL 34 2HG1 VAL 34 -2.167 -11.738 6.201 218 3HG1 VAL 34 3HG1 VAL 34 -1.994 -11.255 7.879 219 1HG2 VAL 34 1HG2 VAL 34 -1.725 -8.327 4.735 220 2HG2 VAL 34 2HG2 VAL 34 -2.016 -10.013 4.350 221 3HG2 VAL 34 3HG2 VAL 34 -0.455 -9.509 4.977 222 H ALA 35 H ALA 35 -3.058 -8.172 8.711 223 HA ALA 35 HA ALA 35 -4.056 -10.156 10.499 224 1HB ALA 35 1HB ALA 35 -2.848 -7.422 10.963 225 2HB ALA 35 2HB ALA 35 -2.009 -8.957 11.010 226 3HB ALA 35 3HB ALA 35 -3.191 -8.572 12.249 227 H GLN 36 H GLN 36 -6.167 -9.747 9.307 228 HA GLN 36 HA GLN 36 -8.426 -9.351 9.439 229 1HB GLN 36 2HB GLN 36 -7.780 -8.290 12.234 230 2HB GLN 36 1HB GLN 36 -9.378 -8.679 11.636 231 1HG GLN 36 2HG GLN 36 -8.705 -11.043 11.281 232 2HG GLN 36 1HG GLN 36 -7.080 -10.677 11.848 233 1HE2 GLN 36 1HE2 GLN 36 -6.919 -9.828 14.142 234 2HE2 GLN 36 2HE2 GLN 36 -8.055 -10.377 15.279 235 H ARG 37 H ARG 37 -7.252 -6.549 11.260 236 HA ARG 37 HA ARG 37 -8.567 -4.727 9.281 237 1HB ARG 37 2HB ARG 37 -8.202 -4.371 12.275 238 2HB ARG 37 1HB ARG 37 -8.919 -3.180 11.219 239 1HG ARG 37 2HG ARG 37 -9.993 -5.978 11.787 240 2HG ARG 37 1HG ARG 37 -10.589 -4.501 12.514 241 1HD ARG 37 2HD ARG 37 -10.616 -5.115 9.540 242 2HD ARG 37 1HD ARG 37 -12.006 -5.197 10.614 243 HE ARG 37 HE ARG 37 -10.760 -2.766 9.557 244 1HH1 ARG 37 2HH1 ARG 37 -12.747 -4.128 12.053 245 2HH1 ARG 37 1HH1 ARG 37 -13.505 -2.619 12.426 246 1HH2 ARG 37 1HH2 ARG 37 -11.707 -0.848 10.015 247 2HH2 ARG 37 2HH2 ARG 37 -12.907 -0.735 11.258 248 H ARG 38 H ARG 38 -5.706 -5.738 10.618 249 HA ARG 38 HA ARG 38 -4.305 -3.152 10.155 250 1HB ARG 38 2HB ARG 38 -4.019 -4.165 12.343 251 2HB ARG 38 1HB ARG 38 -3.456 -5.660 11.640 252 1HG ARG 38 2HG ARG 38 -1.507 -4.372 10.625 253 2HG ARG 38 1HG ARG 38 -2.079 -2.939 11.461 254 1HD ARG 38 2HD ARG 38 -1.154 -5.537 12.783 255 2HD ARG 38 1HD ARG 38 -0.289 -4.013 12.756 256 HE ARG 38 HE ARG 38 -1.832 -3.086 14.313 257 1HH1 ARG 38 2HH1 ARG 38 -2.649 -6.351 13.429 258 2HH1 ARG 38 1HH1 ARG 38 -3.742 -6.542 14.755 259 1HH2 ARG 38 1HH2 ARG 38 -3.216 -3.326 15.985 260 2HH2 ARG 38 2HH2 ARG 38 -4.072 -4.814 16.215 261 H CYS 39 H CYS 39 -3.327 -2.894 8.372 262 HA CYS 39 HA CYS 39 -2.600 -5.139 6.592 263 1HB CYS 39 2HB CYS 39 -2.286 -3.288 4.916 264 2HB CYS 39 1HB CYS 39 -3.888 -3.287 5.616 265 H GLU 40 H GLU 40 -0.500 -4.636 5.263 266 HA GLU 40 HA GLU 40 1.581 -3.295 6.794 267 1HB GLU 40 2HB GLU 40 1.386 -5.434 8.040 268 2HB GLU 40 1HB GLU 40 1.681 -6.329 6.558 269 1HG GLU 40 2HG GLU 40 3.906 -5.294 6.333 270 2HG GLU 40 1HG GLU 40 3.605 -4.271 7.724 271 H ASP 41 H ASP 41 3.500 -3.197 5.970 272 HA ASP 41 HA ASP 41 3.848 -2.701 3.224 273 1HB ASP 41 2HB ASP 41 5.089 -1.607 5.172 274 2HB ASP 41 1HB ASP 41 5.899 -3.114 5.438 275 H ILE 42 H ILE 42 6.021 -3.468 2.307 276 HA ILE 42 HA ILE 42 6.348 -6.323 2.214 277 HB ILE 42 HB ILE 42 4.849 -5.793 0.313 278 1HG1 ILE 42 2HG1 ILE 42 6.235 -6.325 -1.673 279 2HG1 ILE 42 1HG1 ILE 42 7.686 -6.011 -0.741 280 1HG2 ILE 42 1HG2 ILE 42 5.136 -3.355 0.217 281 2HG2 ILE 42 2HG2 ILE 42 5.337 -4.059 -1.375 282 3HG2 ILE 42 3HG2 ILE 42 6.739 -3.530 -0.475 283 1HD1 ILE 42 1HD1 ILE 42 7.073 -7.870 0.822 284 2HD1 ILE 42 2HD1 ILE 42 7.198 -8.442 -0.828 285 3HD1 ILE 42 3HD1 ILE 42 5.617 -8.168 -0.114 286 H ASP 43 H ASP 43 8.384 -6.464 2.932 287 HA ASP 43 HA ASP 43 10.233 -4.194 2.572 288 1HB ASP 43 2HB ASP 43 10.016 -5.375 4.772 289 2HB ASP 43 1HB ASP 43 10.706 -6.814 4.045 290 H GLU 44 H GLU 44 10.963 -4.112 0.680 291 HA GLU 44 HA GLU 44 11.917 -6.369 -0.896 292 1HB GLU 44 2HB GLU 44 12.337 -4.617 -2.625 293 2HB GLU 44 1HB GLU 44 10.693 -4.634 -2.044 294 1HG GLU 44 2HG GLU 44 12.811 -2.667 -1.059 295 2HG GLU 44 1HG GLU 44 11.659 -2.337 -2.331 296 H CYS 45 H CYS 45 13.390 -4.340 1.468 297 HA CYS 45 HA CYS 45 15.931 -4.068 0.279 298 1HB CYS 45 2HB CYS 45 15.084 -4.066 3.183 299 2HB CYS 45 1HB CYS 45 16.698 -3.814 2.683 300 H GLN 46 H GLN 46 14.944 -5.993 2.975 301 HA GLN 46 HA GLN 46 17.016 -7.681 3.449 302 1HB GLN 46 2HB GLN 46 14.057 -8.404 3.462 303 2HB GLN 46 1HB GLN 46 15.302 -9.261 4.341 304 1HG GLN 46 2HG GLN 46 14.527 -6.339 4.777 305 2HG GLN 46 1HG GLN 46 14.123 -7.672 5.841 306 1HE2 GLN 46 1HE2 GLN 46 16.645 -5.477 4.839 307 2HE2 GLN 46 2HE2 GLN 46 17.798 -5.957 5.990 308 H ASP 47 H ASP 47 14.497 -8.291 1.069 309 HA ASP 47 HA ASP 47 15.696 -10.715 0.165 310 1HB ASP 47 2HB ASP 47 13.259 -10.434 0.018 311 2HB ASP 47 1HB ASP 47 13.457 -9.041 -1.032 312 HA PRO 48 HA PRO 48 18.627 -8.657 -2.557 313 1HB PRO 48 2HB PRO 48 18.463 -11.132 -4.251 314 2HB PRO 48 1HB PRO 48 19.856 -10.400 -3.496 315 1HG PRO 48 2HG PRO 48 18.791 -12.642 -2.535 316 2HG PRO 48 1HG PRO 48 19.492 -11.414 -1.468 317 1HD PRO 48 2HD PRO 48 16.617 -12.012 -2.028 318 2HD PRO 48 1HD PRO 48 17.422 -11.545 -0.515 319 H ASP 49 H ASP 49 17.250 -7.098 -3.291 320 HA ASP 49 HA ASP 49 16.208 -7.463 -6.025 321 1HB ASP 49 2HB ASP 49 14.289 -7.938 -4.577 322 2HB ASP 49 1HB ASP 49 14.607 -6.487 -3.644 323 H THR 50 H THR 50 16.699 -5.218 -3.360 324 HA THR 50 HA THR 50 16.893 -2.922 -5.180 325 HB THR 50 HB THR 50 17.243 -3.096 -2.112 326 HG1 THR 50 1HG THR 50 15.119 -2.933 -3.947 327 1HG2 THR 50 1HG2 THR 50 16.433 -0.806 -3.999 328 2HG2 THR 50 2HG2 THR 50 18.034 -0.960 -3.312 329 3HG2 THR 50 3HG2 THR 50 16.655 -0.680 -2.259 330 H CYS 51 H CYS 51 19.134 -2.774 -2.568 331 HA CYS 51 HA CYS 51 21.382 -2.864 -4.494 332 1HB CYS 51 2HB CYS 51 20.968 -1.650 -1.762 333 2HB CYS 51 1HB CYS 51 22.533 -1.707 -2.523 334 H SER 52 H SER 52 23.461 -3.820 -3.788 335 HA SER 52 HA SER 52 23.258 -6.530 -3.208 336 1HB SER 52 2HB SER 52 25.258 -5.511 -4.266 337 2HB SER 52 1HB SER 52 25.673 -4.744 -2.721 338 HG SER 52 HG SER 52 25.148 -7.491 -2.805 339 H GLN 53 H GLN 53 24.457 -4.113 -0.933 340 HA GLN 53 HA GLN 53 23.977 -6.071 1.271 341 1HB GLN 53 2HB GLN 53 25.820 -3.669 1.166 342 2HB GLN 53 1HB GLN 53 25.622 -4.746 2.539 343 1HG GLN 53 2HG GLN 53 26.540 -5.605 -0.230 344 2HG GLN 53 1HG GLN 53 27.619 -5.349 1.132 345 1HE2 GLN 53 1HE2 GLN 53 25.587 -7.636 -0.429 346 2HE2 GLN 53 2HE2 GLN 53 25.665 -8.851 0.754 347 H LEU 54 H LEU 54 24.381 -2.626 1.922 348 HA LEU 54 HA LEU 54 22.068 -2.754 3.590 349 1HB LEU 54 2HB LEU 54 23.723 -0.413 2.788 350 2HB LEU 54 1HB LEU 54 22.466 -0.422 4.011 351 HG LEU 54 HG LEU 54 25.150 -1.781 4.122 352 1HD1 LEU 54 1HD1 LEU 54 25.262 -0.261 6.100 353 2HD1 LEU 54 2HD1 LEU 54 23.613 0.257 5.771 354 3HD1 LEU 54 3HD1 LEU 54 24.885 0.657 4.637 355 1HD2 LEU 54 1HD2 LEU 54 24.432 -2.633 6.306 356 2HD2 LEU 54 2HD2 LEU 54 23.385 -3.297 5.058 357 3HD2 LEU 54 3HD2 LEU 54 22.817 -1.962 6.060 358 H CYS 55 H CYS 55 20.563 -1.522 3.837 359 HA CYS 55 HA CYS 55 19.346 0.244 1.873 360 1HB CYS 55 2HB CYS 55 18.944 -2.026 0.918 361 2HB CYS 55 1HB CYS 55 18.188 -2.519 2.378 362 H VAL 56 H VAL 56 16.940 0.619 2.704 363 HA VAL 56 HA VAL 56 16.656 0.401 5.641 364 HB VAL 56 HB VAL 56 16.609 3.105 4.190 365 1HG1 VAL 56 1HG1 VAL 56 16.306 4.067 6.465 366 2HG1 VAL 56 2HG1 VAL 56 16.276 2.451 7.150 367 3HG1 VAL 56 3HG1 VAL 56 14.991 2.974 6.075 368 1HG2 VAL 56 1HG2 VAL 56 18.635 2.062 6.210 369 2HG2 VAL 56 2HG2 VAL 56 18.604 3.689 5.554 370 3HG2 VAL 56 3HG2 VAL 56 18.932 2.331 4.498 371 H ASN 57 H ASN 57 14.781 -0.653 5.532 372 HA ASN 57 HA ASN 57 12.740 -0.016 3.526 373 1HB ASN 57 2HB ASN 57 13.198 -2.388 4.186 374 2HB ASN 57 1HB ASN 57 12.675 -1.988 5.819 375 1HD2 ASN 57 1HD2 ASN 57 10.764 -3.164 6.017 376 2HD2 ASN 57 2HD2 ASN 57 9.433 -2.996 4.977 377 H LEU 58 H LEU 58 10.665 0.320 3.992 378 HA LEU 58 HA LEU 58 9.334 1.111 6.366 379 1HB LEU 58 2HB LEU 58 9.199 3.556 6.142 380 2HB LEU 58 1HB LEU 58 10.862 3.110 6.335 381 HG LEU 58 HG LEU 58 9.672 3.669 3.581 382 1HD1 LEU 58 1HD1 LEU 58 10.734 5.907 3.800 383 2HD1 LEU 58 2HD1 LEU 58 11.236 5.537 5.442 384 3HD1 LEU 58 3HD1 LEU 58 9.530 5.705 5.058 385 1HD2 LEU 58 1HD2 LEU 58 12.051 3.989 3.031 386 2HD2 LEU 58 2HD2 LEU 58 11.779 2.380 3.653 387 3HD2 LEU 58 3HD2 LEU 58 12.501 3.609 4.682 388 H GLU 59 H GLU 59 7.755 3.083 5.201 389 HA GLU 59 HA GLU 59 6.046 1.407 3.599 390 1HB GLU 59 2HB GLU 59 5.096 3.097 5.263 391 2HB GLU 59 1HB GLU 59 5.778 4.394 4.304 392 1HG GLU 59 2HG GLU 59 4.235 3.893 2.424 393 2HG GLU 59 1HG GLU 59 3.650 2.460 3.216 394 H GLY 60 H GLY 60 7.101 0.807 2.099 395 1HA GLY 60 2HA GLY 60 7.656 0.565 -0.062 396 2HA GLY 60 1HA GLY 60 6.434 1.791 -0.362 397 H GLY 61 H GLY 61 8.388 3.398 1.521 398 1HA GLY 61 2HA GLY 61 9.811 4.783 -0.650 399 2HA GLY 61 1HA GLY 61 9.673 5.314 1.024 400 H TYR 62 H TYR 62 10.656 2.140 0.600 401 HA TYR 62 HA TYR 62 13.003 2.213 2.036 402 1HB TYR 62 2HB TYR 62 13.649 0.098 0.996 403 2HB TYR 62 1HB TYR 62 11.906 0.145 1.205 404 HD1 TYR 62 1HD TYR 62 14.633 0.041 -1.176 405 HD2 TYR 62 2HD TYR 62 10.438 0.656 -0.812 406 HE1 TYR 62 1HE TYR 62 14.388 -0.265 -3.584 407 HE2 TYR 62 2HE TYR 62 10.192 0.351 -3.228 408 HH TYR 62 HH TYR 62 12.410 0.650 -5.363 409 H LYS 63 H LYS 63 15.109 2.695 1.814 410 HA LYS 63 HA LYS 63 16.097 3.511 -0.842 411 1HB LYS 63 2HB LYS 63 17.313 5.266 0.387 412 2HB LYS 63 1HB LYS 63 15.614 5.550 0.177 413 1HG LYS 63 2HG LYS 63 15.382 4.665 2.622 414 2HG LYS 63 1HG LYS 63 17.133 4.509 2.651 415 1HD LYS 63 2HD LYS 63 17.363 6.956 2.265 416 2HD LYS 63 1HD LYS 63 15.616 7.118 2.234 417 1HE LYS 63 2HE LYS 63 16.512 7.700 4.477 418 2HE LYS 63 1HE LYS 63 15.493 6.272 4.580 419 1HZ LYS 63 1HZ LYS 63 17.426 4.888 4.572 420 2HZ LYS 63 2HZ LYS 63 17.577 6.047 5.801 421 3HZ LYS 63 3HZ LYS 63 18.448 6.224 4.353 422 H CYS 64 H CYS 64 18.129 3.348 -1.202 423 HA CYS 64 HA CYS 64 19.569 1.205 0.119 424 1HB CYS 64 2HB CYS 64 20.217 2.941 -2.211 425 2HB CYS 64 1HB CYS 64 21.290 1.720 -1.633 426 H GLN 65 H GLN 65 21.716 1.210 0.451 427 HA GLN 65 HA GLN 65 23.354 3.500 1.239 428 1HB GLN 65 2HB GLN 65 22.873 1.360 3.336 429 2HB GLN 65 1HB GLN 65 23.718 2.849 3.509 430 1HG GLN 65 2HG GLN 65 21.683 4.183 3.390 431 2HG GLN 65 1HG GLN 65 20.714 2.731 3.152 432 1HE2 GLN 65 1HE2 GLN 65 21.178 0.963 4.935 433 2HE2 GLN 65 2HE2 GLN 65 21.267 1.544 6.527 434 H CYS 66 H CYS 66 25.403 2.069 2.351 435 HA CYS 66 HA CYS 66 25.803 -0.323 0.668 436 1HB CYS 66 2HB CYS 66 27.776 1.912 1.022 437 2HB CYS 66 1HB CYS 66 27.957 0.476 0.175 438 H GLU 67 H GLU 67 27.625 -1.599 1.283 439 HA GLU 67 HA GLU 67 27.816 -1.839 4.205 440 1HB GLU 67 2HB GLU 67 27.459 -3.847 2.789 441 2HB GLU 67 1HB GLU 67 28.983 -3.577 1.980 442 1HG GLU 67 2HG GLU 67 29.142 -5.325 3.766 443 2HG GLU 67 1HG GLU 67 30.205 -3.986 4.129 444 H GLU 68 H GLU 68 28.930 0.237 4.281 445 HA GLU 68 HA GLU 68 30.798 1.545 4.675 446 1HB GLU 68 2HB GLU 68 32.083 -1.208 5.014 447 2HB GLU 68 1HB GLU 68 32.774 0.297 5.574 448 1HG GLU 68 2HG GLU 68 30.824 0.657 7.067 449 2HG GLU 68 1HG GLU 68 30.045 -0.785 6.440 450 H GLY 69 H GLY 69 32.627 -1.048 3.217 451 1HA GLY 69 2HA GLY 69 34.256 0.596 1.633 452 2HA GLY 69 1HA GLY 69 34.136 -1.147 1.490 453 H PHE 70 H PHE 70 31.135 -0.835 0.957 454 HA PHE 70 HA PHE 70 31.398 -0.743 -1.854 455 1HB PHE 70 2HB PHE 70 29.085 -0.993 0.022 456 2HB PHE 70 1HB PHE 70 28.809 -0.957 -1.709 457 HD1 PHE 70 1HD PHE 70 31.681 -2.764 -0.123 458 HD2 PHE 70 2HD PHE 70 27.758 -3.102 -1.758 459 HE1 PHE 70 1HE PHE 70 31.889 -5.195 -0.117 460 HE2 PHE 70 2HE PHE 70 27.982 -5.534 -1.755 461 HZ PHE 70 HZ PHE 70 30.041 -6.594 -0.940 462 H GLN 71 H GLN 71 30.170 0.652 -3.280 463 HA GLN 71 HA GLN 71 29.450 3.272 -2.205 464 1HB GLN 71 2HB GLN 71 31.444 2.540 -4.309 465 2HB GLN 71 1HB GLN 71 30.552 3.996 -4.548 466 1HG GLN 71 2HG GLN 71 32.154 3.348 -2.018 467 2HG GLN 71 1HG GLN 71 32.708 4.423 -3.300 468 1HE2 GLN 71 1HE2 GLN 71 32.389 5.492 -0.738 469 2HE2 GLN 71 2HE2 GLN 71 31.046 6.527 -0.698 470 H LEU 72 H LEU 72 28.555 4.616 -3.852 471 HA LEU 72 HA LEU 72 26.190 3.213 -4.898 472 1HB LEU 72 2HB LEU 72 26.016 5.463 -3.835 473 2HB LEU 72 1HB LEU 72 26.940 6.147 -5.156 474 HG LEU 72 HG LEU 72 25.173 5.263 -6.760 475 1HD1 LEU 72 1HD1 LEU 72 23.619 4.662 -4.214 476 2HD1 LEU 72 2HD1 LEU 72 24.208 3.465 -5.354 477 3HD1 LEU 72 3HD1 LEU 72 22.971 4.602 -5.842 478 1HD2 LEU 72 1HD2 LEU 72 23.496 7.017 -6.190 479 2HD2 LEU 72 2HD2 LEU 72 25.132 7.621 -5.977 480 3HD2 LEU 72 3HD2 LEU 72 24.182 7.148 -4.576 481 H ASP 73 H ASP 73 26.621 2.018 -6.615 482 HA ASP 73 HA ASP 73 28.371 2.861 -8.791 483 1HB ASP 73 2HB ASP 73 28.074 0.438 -8.227 484 2HB ASP 73 1HB ASP 73 26.387 0.537 -8.703 485 HA PRO 74 HA PRO 74 25.009 5.128 -10.748 486 1HB PRO 74 2HB PRO 74 26.279 5.927 -12.997 487 2HB PRO 74 1HB PRO 74 26.676 6.607 -11.437 488 1HG PRO 74 2HG PRO 74 28.096 4.432 -12.923 489 2HG PRO 74 1HG PRO 74 28.768 5.845 -12.088 490 1HD PRO 74 2HD PRO 74 28.710 3.377 -10.981 491 2HD PRO 74 1HD PRO 74 28.609 4.861 -10.016 492 H HIS 75 H HIS 75 23.873 5.115 -12.839 493 HA HIS 75 HA HIS 75 22.655 4.049 -14.508 494 1HB HIS 75 2HB HIS 75 25.096 2.216 -14.723 495 2HB HIS 75 1HB HIS 75 23.824 2.396 -15.919 496 HD1 HIS 75 1HD HIS 75 26.645 4.313 -14.456 497 HD2 HIS 75 2HD HIS 75 23.987 4.705 -17.530 498 HE1 HIS 75 1HE HIS 75 27.425 6.226 -15.808 499 H THR 76 H THR 76 23.312 2.733 -11.680 500 HA THR 76 HA THR 76 21.311 0.561 -11.929 501 HB THR 76 HB THR 76 22.781 -0.912 -10.460 502 HG1 THR 76 1HG THR 76 24.910 -0.170 -10.211 503 1HG2 THR 76 1HG2 THR 76 23.058 -1.136 -13.039 504 2HG2 THR 76 2HG2 THR 76 24.529 -1.494 -12.147 505 3HG2 THR 76 3HG2 THR 76 24.341 0.060 -12.938 506 H LYS 77 H LYS 77 23.278 2.581 -10.026 507 HA LYS 77 HA LYS 77 23.002 3.762 -8.024 508 1HB LYS 77 2HB LYS 77 20.192 3.010 -8.382 509 2HB LYS 77 1HB LYS 77 20.729 4.197 -7.225 510 1HG LYS 77 2HG LYS 77 21.715 5.537 -9.129 511 2HG LYS 77 1HG LYS 77 21.039 4.379 -10.263 512 1HD LYS 77 2HD LYS 77 18.750 4.891 -9.434 513 2HD LYS 77 1HD LYS 77 19.416 6.037 -8.284 514 1HE LYS 77 2HE LYS 77 20.349 7.383 -10.171 515 2HE LYS 77 1HE LYS 77 19.662 6.239 -11.318 516 1HZ LYS 77 1HZ LYS 77 18.265 8.178 -11.003 517 2HZ LYS 77 2HZ LYS 77 18.116 7.820 -9.350 518 3HZ LYS 77 3HZ LYS 77 17.473 6.759 -10.508 519 H ALA 78 H ALA 78 23.228 0.760 -8.352 520 HA ALA 78 HA ALA 78 22.282 -0.251 -5.734 521 1HB ALA 78 1HB ALA 78 21.851 -1.621 -7.764 522 2HB ALA 78 2HB ALA 78 22.934 -2.462 -6.662 523 3HB ALA 78 3HB ALA 78 23.576 -1.672 -8.095 524 H CYS 79 H CYS 79 23.718 -0.922 -4.163 525 HA CYS 79 HA CYS 79 26.418 0.185 -4.393 526 1HB CYS 79 2HB CYS 79 25.001 -1.133 -2.109 527 2HB CYS 79 1HB CYS 79 26.644 -0.587 -2.011 528 H LYS 80 H LYS 80 28.290 -0.808 -4.168 529 HA LYS 80 HA LYS 80 28.537 -3.684 -3.761 530 1HB LYS 80 2HB LYS 80 29.684 -4.148 -5.683 531 2HB LYS 80 1HB LYS 80 28.038 -3.708 -6.147 532 1HG LYS 80 2HG LYS 80 28.924 -1.347 -6.666 533 2HG LYS 80 1HG LYS 80 30.552 -1.957 -6.429 534 1HD LYS 80 2HD LYS 80 30.176 -3.633 -8.246 535 2HD LYS 80 1HD LYS 80 28.584 -2.945 -8.525 536 1HE LYS 80 2HE LYS 80 29.677 -0.711 -8.935 537 2HE LYS 80 1HE LYS 80 31.241 -1.475 -8.763 538 1HZ LYS 80 1HZ LYS 80 30.004 -3.053 -10.568 539 2HZ LYS 80 2HZ LYS 80 31.110 -1.813 -10.923 540 3HZ LYS 80 3HZ LYS 80 29.442 -1.503 -10.980 541 H ALA 81 H ALA 81 30.897 -4.251 -3.637 542 HA ALA 81 HA ALA 81 32.518 -2.527 -2.176 543 1HB ALA 81 1HB ALA 81 32.993 -4.931 -2.462 544 2HB ALA 81 2HB ALA 81 34.417 -3.977 -2.843 545 3HB ALA 81 3HB ALA 81 33.441 -4.657 -4.137 546 H VAL 82 H VAL 82 33.360 -0.624 -2.597 547 HA VAL 82 HA VAL 82 33.369 0.786 -4.952 548 HB VAL 82 HB VAL 82 33.849 1.758 -2.730 549 1HG1 VAL 82 1HG1 VAL 82 36.117 1.574 -1.727 550 2HG1 VAL 82 2HG1 VAL 82 36.619 0.488 -3.010 551 3HG1 VAL 82 3HG1 VAL 82 35.398 -0.019 -1.867 552 1HG2 VAL 82 1HG2 VAL 82 36.057 2.350 -4.743 553 2HG2 VAL 82 2HG2 VAL 82 35.596 3.381 -3.400 554 3HG2 VAL 82 3HG2 VAL 82 34.464 3.089 -4.710 Start of MODEL 22 1 H GLY 1 H GLY 1 -24.056 -4.578 -0.380 2 1HA GLY 1 2HA GLY 1 -25.495 -4.920 2.187 3 2HA GLY 1 1HA GLY 1 -23.750 -4.768 1.995 4 H THR 2 H THR 2 -25.232 -3.293 3.857 5 HA THR 2 HA THR 2 -26.097 -0.761 3.187 6 HB THR 2 HB THR 2 -26.392 -1.651 5.411 7 HG1 THR 2 1HG THR 2 -26.106 0.661 4.976 8 1HG2 THR 2 1HG2 THR 2 -24.093 -2.754 5.609 9 2HG2 THR 2 2HG2 THR 2 -24.475 -1.733 6.992 10 3HG2 THR 2 3HG2 THR 2 -23.389 -1.146 5.735 11 H ASN 3 H ASN 3 -25.076 1.305 3.841 12 HA ASN 3 HA ASN 3 -22.466 1.587 2.478 13 1HB ASN 3 2HB ASN 3 -24.484 2.963 1.793 14 2HB ASN 3 1HB ASN 3 -24.498 3.689 3.389 15 1HD2 ASN 3 1HD2 ASN 3 -24.286 5.581 1.641 16 2HD2 ASN 3 2HD2 ASN 3 -22.699 6.120 1.378 17 H GLU 4 H GLU 4 -21.851 0.360 4.564 18 HA GLU 4 HA GLU 4 -21.608 1.881 7.008 19 1HB GLU 4 2HB GLU 4 -20.004 -0.095 7.554 20 2HB GLU 4 1HB GLU 4 -21.690 -0.464 7.301 21 1HG GLU 4 2HG GLU 4 -20.144 -2.052 6.208 22 2HG GLU 4 1HG GLU 4 -21.236 -1.318 5.066 23 H CYS 5 H CYS 5 -20.221 2.416 4.175 24 HA CYS 5 HA CYS 5 -17.476 2.750 4.721 25 1HB CYS 5 2HB CYS 5 -19.283 4.065 2.687 26 2HB CYS 5 1HB CYS 5 -17.559 4.125 2.644 27 H LEU 6 H LEU 6 -20.324 4.630 4.856 28 HA LEU 6 HA LEU 6 -19.638 7.245 5.205 29 1HB LEU 6 2HB LEU 6 -21.732 5.700 6.757 30 2HB LEU 6 1HB LEU 6 -21.694 7.434 6.568 31 HG LEU 6 HG LEU 6 -22.067 5.418 4.293 32 1HD1 LEU 6 1HD1 LEU 6 -24.006 5.637 5.777 33 2HD1 LEU 6 2HD1 LEU 6 -24.338 6.357 4.208 34 3HD1 LEU 6 3HD1 LEU 6 -23.974 7.385 5.588 35 1HD2 LEU 6 1HD2 LEU 6 -20.863 7.531 3.540 36 2HD2 LEU 6 2HD2 LEU 6 -22.147 8.487 4.258 37 3HD2 LEU 6 3HD2 LEU 6 -22.482 7.449 2.886 38 H ASP 7 H ASP 7 -19.799 4.843 7.767 39 HA ASP 7 HA ASP 7 -18.444 6.658 9.734 40 1HB ASP 7 2HB ASP 7 -20.602 5.335 10.305 41 2HB ASP 7 1HB ASP 7 -19.639 3.881 10.088 42 H ASN 8 H ASN 8 -17.202 4.586 11.140 43 HA ASN 8 HA ASN 8 -14.691 4.375 10.026 44 1HB ASN 8 2HB ASN 8 -16.113 2.504 11.768 45 2HB ASN 8 1HB ASN 8 -14.375 2.464 11.568 46 1HD2 ASN 8 1HD2 ASN 8 -13.144 3.958 12.782 47 2HD2 ASN 8 2HD2 ASN 8 -13.818 5.134 13.805 48 H ASN 9 H ASN 9 -14.097 3.398 8.166 49 HA ASN 9 HA ASN 9 -15.582 2.062 6.312 50 1HB ASN 9 2HB ASN 9 -13.262 2.914 6.069 51 2HB ASN 9 1HB ASN 9 -12.673 1.530 6.973 52 1HD2 ASN 9 1HD2 ASN 9 -13.168 -0.671 5.962 53 2HD2 ASN 9 2HD2 ASN 9 -13.162 -0.755 4.277 54 H GLY 10 H GLY 10 -17.048 0.634 7.374 55 1HA GLY 10 2HA GLY 10 -17.838 -1.434 8.044 56 2HA GLY 10 1HA GLY 10 -16.420 -2.084 7.238 57 H GLY 11 H GLY 11 -15.477 0.085 9.549 58 1HA GLY 11 2HA GLY 11 -15.528 -0.508 12.075 59 2HA GLY 11 1HA GLY 11 -14.758 -2.006 11.541 60 H CYS 12 H CYS 12 -13.235 -0.813 9.442 61 HA CYS 12 HA CYS 12 -11.011 0.372 10.975 62 1HB CYS 12 2HB CYS 12 -9.713 -0.340 9.034 63 2HB CYS 12 1HB CYS 12 -10.743 -1.647 9.570 64 H SER 13 H SER 13 -10.139 1.303 8.178 65 HA SER 13 HA SER 13 -11.849 3.495 7.403 66 1HB SER 13 2HB SER 13 -10.276 5.317 8.141 67 2HB SER 13 1HB SER 13 -10.905 4.422 9.530 68 HG SER 13 HG SER 13 -8.442 3.993 8.182 69 H HIS 14 H HIS 14 -10.756 1.313 6.145 70 HA HIS 14 HA HIS 14 -8.685 2.395 4.314 71 1HB HIS 14 2HB HIS 14 -9.377 -0.449 5.148 72 2HB HIS 14 1HB HIS 14 -8.131 -0.004 4.010 73 HD1 HIS 14 1HD HIS 14 -8.528 -0.632 7.446 74 HD2 HIS 14 2HD HIS 14 -6.146 1.915 5.327 75 HE1 HIS 14 1HE HIS 14 -6.703 0.044 8.973 76 H VAL 15 H VAL 15 -9.975 -0.450 3.209 77 HA VAL 15 HA VAL 15 -11.687 0.914 1.186 78 HB VAL 15 HB VAL 15 -10.411 -1.846 1.189 79 1HG1 VAL 15 1HG1 VAL 15 -12.041 -0.482 -1.016 80 2HG1 VAL 15 2HG1 VAL 15 -12.560 -1.869 -0.079 81 3HG1 VAL 15 3HG1 VAL 15 -11.209 -2.020 -1.176 82 1HG2 VAL 15 1HG2 VAL 15 -8.780 -0.057 0.839 83 2HG2 VAL 15 2HG2 VAL 15 -9.770 0.609 -0.457 84 3HG2 VAL 15 3HG2 VAL 15 -9.043 -0.983 -0.635 85 H CYS 16 H CYS 16 -13.834 0.811 1.656 86 HA CYS 16 HA CYS 16 -14.859 -1.275 3.439 87 1HB CYS 16 2HB CYS 16 -16.973 -0.059 3.084 88 2HB CYS 16 1HB CYS 16 -15.734 0.991 3.675 89 H ASN 17 H ASN 17 -14.035 -2.913 1.987 90 HA ASN 17 HA ASN 17 -15.237 -3.356 -0.617 91 1HB ASN 17 2HB ASN 17 -13.039 -4.105 -0.245 92 2HB ASN 17 1HB ASN 17 -13.362 -4.867 1.272 93 1HD2 ASN 17 1HD2 ASN 17 -12.851 -7.041 0.722 94 2HD2 ASN 17 2HD2 ASN 17 -13.532 -7.897 -0.574 95 H ASP 18 H ASP 18 -17.251 -3.243 -0.275 96 HA ASP 18 HA ASP 18 -18.782 -4.537 1.783 97 1HB ASP 18 2HB ASP 18 -19.427 -2.425 0.472 98 2HB ASP 18 1HB ASP 18 -19.835 -3.476 -0.869 99 H LEU 19 H LEU 19 -18.185 -6.549 1.800 100 HA LEU 19 HA LEU 19 -18.388 -8.505 -0.204 101 1HB LEU 19 2HB LEU 19 -17.203 -8.420 2.141 102 2HB LEU 19 1HB LEU 19 -18.771 -8.783 2.788 103 HG LEU 19 HG LEU 19 -18.866 -10.919 1.527 104 1HD1 LEU 19 1HD1 LEU 19 -16.008 -10.133 0.832 105 2HD1 LEU 19 2HD1 LEU 19 -17.325 -10.205 -0.324 106 3HD1 LEU 19 3HD1 LEU 19 -16.761 -11.678 0.443 107 1HD2 LEU 19 1HD2 LEU 19 -18.068 -10.774 3.844 108 2HD2 LEU 19 2HD2 LEU 19 -16.430 -10.487 3.291 109 3HD2 LEU 19 3HD2 LEU 19 -17.208 -12.037 2.989 110 H LYS 20 H LYS 20 -20.041 -10.430 0.170 111 HA LYS 20 HA LYS 20 -22.686 -9.335 -0.185 112 1HB LYS 20 2HB LYS 20 -23.390 -11.713 -0.255 113 2HB LYS 20 1HB LYS 20 -21.973 -11.465 -1.254 114 1HG LYS 20 2HG LYS 20 -20.524 -12.365 0.609 115 2HG LYS 20 1HG LYS 20 -21.970 -12.695 1.545 116 1HD LYS 20 2HD LYS 20 -21.363 -13.934 -1.154 117 2HD LYS 20 1HD LYS 20 -21.161 -14.721 0.398 118 1HE LYS 20 2HE LYS 20 -23.612 -14.482 0.840 119 2HE LYS 20 1HE LYS 20 -23.818 -13.729 -0.737 120 1HZ LYS 20 1HZ LYS 20 -22.907 -15.737 -1.748 121 2HZ LYS 20 2HZ LYS 20 -24.342 -16.020 -0.884 122 3HZ LYS 20 3HZ LYS 20 -22.846 -16.470 -0.216 123 H ILE 21 H ILE 21 -21.051 -11.138 2.389 124 HA ILE 21 HA ILE 21 -22.603 -9.840 4.491 125 HB ILE 21 HB ILE 21 -22.398 -12.856 4.058 126 1HG1 ILE 21 2HG1 ILE 21 -24.884 -11.075 4.055 127 2HG1 ILE 21 1HG1 ILE 21 -24.185 -11.859 2.653 128 1HG2 ILE 21 1HG2 ILE 21 -22.160 -12.245 6.435 129 2HG2 ILE 21 2HG2 ILE 21 -23.703 -13.034 6.198 130 3HG2 ILE 21 3HG2 ILE 21 -23.629 -11.281 6.354 131 1HD1 ILE 21 1HD1 ILE 21 -24.651 -14.085 3.605 132 2HD1 ILE 21 2HD1 ILE 21 -26.115 -13.131 3.441 133 3HD1 ILE 21 3HD1 ILE 21 -25.384 -13.342 5.017 134 H GLY 22 H GLY 22 -21.000 -9.146 5.841 135 1HA GLY 22 2HA GLY 22 -19.258 -9.449 7.385 136 2HA GLY 22 1HA GLY 22 -18.795 -10.887 6.518 137 H TYR 23 H TYR 23 -19.266 -7.608 5.594 138 HA TYR 23 HA TYR 23 -17.557 -6.975 3.619 139 1HB TYR 23 2HB TYR 23 -17.805 -5.182 6.038 140 2HB TYR 23 1HB TYR 23 -17.554 -4.693 4.372 141 HD1 TYR 23 1HD TYR 23 -19.782 -4.142 6.531 142 HD2 TYR 23 2HD TYR 23 -19.658 -6.526 3.019 143 HE1 TYR 23 1HE TYR 23 -22.212 -3.944 6.315 144 HE2 TYR 23 2HE TYR 23 -22.091 -6.326 2.799 145 HH TYR 23 HH TYR 23 -23.861 -4.209 3.919 146 H GLU 24 H GLU 24 -15.517 -5.770 3.466 147 HA GLU 24 HA GLU 24 -13.539 -6.461 5.571 148 1HB GLU 24 2HB GLU 24 -13.481 -8.252 3.959 149 2HB GLU 24 1HB GLU 24 -13.344 -7.112 2.628 150 1HG GLU 24 2HG GLU 24 -11.121 -6.466 3.333 151 2HG GLU 24 1HG GLU 24 -11.246 -7.423 4.804 152 H CYS 25 H CYS 25 -11.527 -5.593 5.271 153 HA CYS 25 HA CYS 25 -11.449 -2.843 4.380 154 1HB CYS 25 2HB CYS 25 -10.161 -4.284 6.679 155 2HB CYS 25 1HB CYS 25 -9.755 -2.651 6.244 156 H LEU 26 H LEU 26 -10.689 -3.502 2.243 157 HA LEU 26 HA LEU 26 -8.179 -4.948 1.976 158 1HB LEU 26 2HB LEU 26 -9.599 -3.307 -0.152 159 2HB LEU 26 1HB LEU 26 -8.468 -4.590 -0.366 160 HG LEU 26 HG LEU 26 -11.212 -5.049 0.799 161 1HD1 LEU 26 1HD1 LEU 26 -11.292 -4.414 -1.618 162 2HD1 LEU 26 2HD1 LEU 26 -11.665 -6.115 -1.440 163 3HD1 LEU 26 3HD1 LEU 26 -10.080 -5.628 -1.988 164 1HD2 LEU 26 1HD2 LEU 26 -9.074 -7.012 -0.109 165 2HD2 LEU 26 2HD2 LEU 26 -10.686 -7.424 0.448 166 3HD2 LEU 26 3HD2 LEU 26 -9.533 -6.704 1.560 167 H CYS 27 H CYS 27 -6.880 -3.689 0.083 168 HA CYS 27 HA CYS 27 -5.540 -1.490 1.431 169 1HB CYS 27 2HB CYS 27 -4.926 -3.115 -0.996 170 2HB CYS 27 1HB CYS 27 -3.971 -1.739 -0.542 171 HA PRO 28 HA PRO 28 -7.416 1.591 -1.182 172 1HB PRO 28 2HB PRO 28 -5.753 3.694 -0.497 173 2HB PRO 28 1HB PRO 28 -7.095 3.160 0.469 174 1HG PRO 28 2HG PRO 28 -4.214 2.706 0.888 175 2HG PRO 28 1HG PRO 28 -5.526 2.813 2.064 176 1HD PRO 28 2HD PRO 28 -4.295 0.475 1.194 177 2HD PRO 28 1HD PRO 28 -5.847 0.585 2.046 178 H ASP 29 H ASP 29 -3.976 2.282 -0.996 179 HA ASP 29 HA ASP 29 -3.780 2.505 -3.922 180 1HB ASP 29 2HB ASP 29 -1.661 3.626 -3.394 181 2HB ASP 29 1HB ASP 29 -2.930 4.285 -2.396 182 H GLY 30 H GLY 30 -0.962 2.007 -3.920 183 1HA GLY 30 2HA GLY 30 -0.781 -0.573 -4.845 184 2HA GLY 30 1HA GLY 30 0.584 0.413 -4.408 185 H PHE 31 H PHE 31 -0.001 0.411 -1.485 186 HA PHE 31 HA PHE 31 1.490 -1.757 -0.677 187 1HB PHE 31 2HB PHE 31 -0.744 -0.340 0.820 188 2HB PHE 31 1HB PHE 31 0.507 -1.299 1.579 189 HD1 PHE 31 1HD PHE 31 -0.271 1.991 1.053 190 HD2 PHE 31 2HD PHE 31 2.909 -0.713 0.352 191 HE1 PHE 31 1HE PHE 31 1.306 3.871 0.955 192 HE2 PHE 31 2HE PHE 31 4.503 1.151 0.259 193 HZ PHE 31 HZ PHE 31 3.714 3.432 0.587 194 H GLN 32 H GLN 32 0.998 -3.433 0.801 195 HA GLN 32 HA GLN 32 -1.164 -5.223 -0.236 196 1HB GLN 32 2HB GLN 32 1.176 -6.041 -0.455 197 2HB GLN 32 1HB GLN 32 1.397 -5.863 1.281 198 1HG GLN 32 2HG GLN 32 -0.366 -7.578 1.690 199 2HG GLN 32 1HG GLN 32 -0.609 -7.746 -0.044 200 1HE2 GLN 32 1HE2 GLN 32 0.682 -9.291 -1.056 201 2HE2 GLN 32 2HE2 GLN 32 2.076 -9.985 -0.379 202 H LEU 33 H LEU 33 -2.442 -6.357 1.264 203 HA LEU 33 HA LEU 33 -2.853 -4.903 3.812 204 1HB LEU 33 2HB LEU 33 -4.755 -5.797 2.228 205 2HB LEU 33 1HB LEU 33 -4.374 -7.383 2.856 206 HG LEU 33 HG LEU 33 -4.649 -6.303 5.221 207 1HD1 LEU 33 1HD1 LEU 33 -6.088 -4.264 5.269 208 2HD1 LEU 33 2HD1 LEU 33 -6.008 -4.176 3.523 209 3HD1 LEU 33 3HD1 LEU 33 -4.561 -3.933 4.479 210 1HD2 LEU 33 1HD2 LEU 33 -6.314 -7.858 4.340 211 2HD2 LEU 33 2HD2 LEU 33 -7.111 -6.546 3.474 212 3HD2 LEU 33 3HD2 LEU 33 -7.084 -6.555 5.232 213 H VAL 34 H VAL 34 -0.518 -5.747 4.134 214 HA VAL 34 HA VAL 34 -0.212 -8.508 4.968 215 HB VAL 34 HB VAL 34 1.588 -7.306 3.856 216 1HG1 VAL 34 1HG1 VAL 34 1.660 -5.529 6.310 217 2HG1 VAL 34 2HG1 VAL 34 1.142 -5.046 4.700 218 3HG1 VAL 34 3HG1 VAL 34 2.813 -5.510 4.986 219 1HG2 VAL 34 1HG2 VAL 34 2.302 -8.014 6.732 220 2HG2 VAL 34 2HG2 VAL 34 3.440 -7.877 5.404 221 3HG2 VAL 34 3HG2 VAL 34 2.220 -9.137 5.385 222 H ALA 35 H ALA 35 -0.413 -5.410 6.646 223 HA ALA 35 HA ALA 35 -0.139 -6.636 9.216 224 1HB ALA 35 1HB ALA 35 -0.395 -4.279 10.043 225 2HB ALA 35 2HB ALA 35 -0.720 -3.777 8.393 226 3HB ALA 35 3HB ALA 35 0.838 -4.454 8.805 227 H GLN 36 H GLN 36 -2.204 -7.854 8.134 228 HA GLN 36 HA GLN 36 -4.312 -8.641 8.540 229 1HB GLN 36 2HB GLN 36 -4.382 -6.639 10.850 230 2HB GLN 36 1HB GLN 36 -5.489 -7.967 10.597 231 1HG GLN 36 2HG GLN 36 -3.641 -9.606 10.798 232 2HG GLN 36 1HG GLN 36 -2.483 -8.298 11.009 233 1HE2 GLN 36 1HE2 GLN 36 -4.377 -10.465 12.729 234 2HE2 GLN 36 2HE2 GLN 36 -4.434 -9.642 14.213 235 H ARG 37 H ARG 37 -4.925 -5.306 9.549 236 HA ARG 37 HA ARG 37 -6.931 -5.046 7.335 237 1HB ARG 37 2HB ARG 37 -7.035 -3.778 10.111 238 2HB ARG 37 1HB ARG 37 -8.276 -3.672 8.883 239 1HG ARG 37 2HG ARG 37 -7.391 -6.223 10.308 240 2HG ARG 37 1HG ARG 37 -8.875 -5.344 10.604 241 1HD ARG 37 2HD ARG 37 -9.621 -5.804 8.275 242 2HD ARG 37 1HD ARG 37 -8.137 -6.712 7.983 243 HE ARG 37 HE ARG 37 -9.366 -7.781 10.299 244 1HH1 ARG 37 2HH1 ARG 37 -9.860 -7.483 6.881 245 2HH1 ARG 37 1HH1 ARG 37 -10.765 -8.954 6.765 246 1HH2 ARG 37 1HH2 ARG 37 -10.508 -9.651 10.180 247 2HH2 ARG 37 2HH2 ARG 37 -11.139 -10.204 8.664 248 H ARG 38 H ARG 38 -4.134 -3.871 8.775 249 HA ARG 38 HA ARG 38 -4.335 -1.148 7.666 250 1HB ARG 38 2HB ARG 38 -2.114 -2.542 9.238 251 2HB ARG 38 1HB ARG 38 -2.148 -0.863 8.804 252 1HG ARG 38 2HG ARG 38 -2.731 -1.051 11.151 253 2HG ARG 38 1HG ARG 38 -4.187 -0.593 10.294 254 1HD ARG 38 2HD ARG 38 -5.022 -2.927 10.388 255 2HD ARG 38 1HD ARG 38 -3.496 -3.447 11.101 256 HE ARG 38 HE ARG 38 -4.799 -1.364 12.638 257 1HH1 ARG 38 2HH1 ARG 38 -4.727 -4.756 11.904 258 2HH1 ARG 38 1HH1 ARG 38 -5.404 -5.220 13.428 259 1HH2 ARG 38 1HH2 ARG 38 -5.664 -1.936 14.584 260 2HH2 ARG 38 2HH2 ARG 38 -5.944 -3.602 14.966 261 H CYS 39 H CYS 39 -3.542 -0.828 5.638 262 HA CYS 39 HA CYS 39 -2.080 -3.061 4.363 263 1HB CYS 39 2HB CYS 39 -4.051 -2.107 3.252 264 2HB CYS 39 1HB CYS 39 -3.230 -0.570 3.129 265 H GLU 40 H GLU 40 0.000 -3.083 4.146 266 HA GLU 40 HA GLU 40 1.543 -0.609 3.604 267 1HB GLU 40 2HB GLU 40 1.720 -1.008 6.049 268 2HB GLU 40 1HB GLU 40 2.215 -2.667 5.765 269 1HG GLU 40 2HG GLU 40 4.282 -1.911 4.662 270 2HG GLU 40 1HG GLU 40 3.759 -0.249 4.741 271 H ASP 41 H ASP 41 3.696 -1.090 2.773 272 HA ASP 41 HA ASP 41 3.631 -3.151 0.737 273 1HB ASP 41 2HB ASP 41 4.810 -0.968 0.308 274 2HB ASP 41 1HB ASP 41 5.884 -1.293 1.640 275 H ILE 42 H ILE 42 5.445 -4.663 0.451 276 HA ILE 42 HA ILE 42 5.721 -6.388 2.676 277 HB ILE 42 HB ILE 42 7.298 -7.683 1.199 278 1HG1 ILE 42 2HG1 ILE 42 7.066 -5.274 -0.682 279 2HG1 ILE 42 1HG1 ILE 42 8.500 -5.673 0.236 280 1HG2 ILE 42 1HG2 ILE 42 4.849 -7.907 0.870 281 2HG2 ILE 42 2HG2 ILE 42 5.671 -8.061 -0.667 282 3HG2 ILE 42 3HG2 ILE 42 4.854 -6.563 -0.259 283 1HD1 ILE 42 1HD1 ILE 42 8.678 -7.835 -0.968 284 2HD1 ILE 42 2HD1 ILE 42 8.707 -6.472 -2.075 285 3HD1 ILE 42 3HD1 ILE 42 7.252 -7.432 -1.913 286 H ASP 43 H ASP 43 8.254 -7.093 3.284 287 HA ASP 43 HA ASP 43 9.553 -4.502 3.998 288 1HB ASP 43 2HB ASP 43 8.800 -6.079 5.794 289 2HB ASP 43 1HB ASP 43 10.012 -7.219 5.250 290 H GLU 44 H GLU 44 10.998 -3.998 2.494 291 HA GLU 44 HA GLU 44 12.655 -5.995 1.168 292 1HB GLU 44 2HB GLU 44 13.598 -3.863 0.024 293 2HB GLU 44 1HB GLU 44 11.961 -4.316 -0.350 294 1HG GLU 44 2HG GLU 44 12.483 -2.267 1.791 295 2HG GLU 44 1HG GLU 44 12.529 -1.855 0.096 296 H CYS 45 H CYS 45 12.953 -4.317 4.110 297 HA CYS 45 HA CYS 45 15.770 -3.868 3.943 298 1HB CYS 45 2HB CYS 45 13.783 -3.777 6.199 299 2HB CYS 45 1HB CYS 45 15.468 -3.618 6.501 300 H GLN 46 H GLN 46 13.881 -5.763 6.205 301 HA GLN 46 HA GLN 46 15.730 -7.488 7.237 302 1HB GLN 46 2HB GLN 46 12.831 -8.109 6.503 303 2HB GLN 46 1HB GLN 46 13.780 -8.997 7.670 304 1HG GLN 46 2HG GLN 46 13.017 -6.044 7.907 305 2HG GLN 46 1HG GLN 46 12.291 -7.360 8.807 306 1HE2 GLN 46 1HE2 GLN 46 15.114 -5.306 8.529 307 2HE2 GLN 46 2HE2 GLN 46 15.876 -5.831 9.952 308 H ASP 47 H ASP 47 13.824 -7.906 4.328 309 HA ASP 47 HA ASP 47 15.032 -10.379 3.600 310 1HB ASP 47 2HB ASP 47 12.716 -9.895 2.917 311 2HB ASP 47 1HB ASP 47 13.255 -8.490 2.011 312 HA PRO 48 HA PRO 48 18.619 -8.395 1.745 313 1HB PRO 48 2HB PRO 48 18.828 -10.808 -0.013 314 2HB PRO 48 1HB PRO 48 19.978 -10.170 1.131 315 1HG PRO 48 2HG PRO 48 18.582 -12.395 1.636 316 2HG PRO 48 1HG PRO 48 19.057 -11.266 2.917 317 1HD PRO 48 2HD PRO 48 16.388 -11.654 1.626 318 2HD PRO 48 1HD PRO 48 16.816 -11.289 3.311 319 H ASP 49 H ASP 49 17.604 -6.748 0.699 320 HA ASP 49 HA ASP 49 17.202 -7.070 -2.214 321 1HB ASP 49 2HB ASP 49 14.959 -7.296 -1.212 322 2HB ASP 49 1HB ASP 49 15.217 -5.838 -0.277 323 H THR 50 H THR 50 17.005 -4.706 0.394 324 HA THR 50 HA THR 50 18.080 -2.563 -1.287 325 HB THR 50 HB THR 50 17.419 -2.601 1.740 326 HG1 THR 50 1HG THR 50 15.757 -3.149 0.170 327 1HG2 THR 50 1HG2 THR 50 17.165 -0.150 1.381 328 2HG2 THR 50 2HG2 THR 50 17.501 -0.321 -0.331 329 3HG2 THR 50 3HG2 THR 50 18.783 -0.566 0.842 330 H CYS 51 H CYS 51 19.379 -2.633 1.955 331 HA CYS 51 HA CYS 51 22.099 -2.812 0.862 332 1HB CYS 51 2HB CYS 51 21.062 -2.430 3.646 333 2HB CYS 51 1HB CYS 51 22.723 -2.375 3.202 334 H SER 52 H SER 52 23.638 -4.007 2.631 335 HA SER 52 HA SER 52 22.724 -6.836 2.624 336 1HB SER 52 2HB SER 52 24.937 -6.295 1.547 337 2HB SER 52 1HB SER 52 25.514 -5.664 3.098 338 HG SER 52 HG SER 52 25.229 -7.647 4.014 339 H GLN 53 H GLN 53 23.022 -4.185 4.724 340 HA GLN 53 HA GLN 53 22.863 -6.000 7.094 341 1HB GLN 53 2HB GLN 53 24.372 -3.372 6.933 342 2HB GLN 53 1HB GLN 53 24.179 -4.346 8.376 343 1HG GLN 53 2HG GLN 53 25.668 -5.142 5.850 344 2HG GLN 53 1HG GLN 53 26.332 -4.697 7.417 345 1HE2 GLN 53 1HE2 GLN 53 24.941 -6.141 9.257 346 2HE2 GLN 53 2HE2 GLN 53 25.077 -7.806 8.953 347 H LEU 54 H LEU 54 22.938 -2.809 8.081 348 HA LEU 54 HA LEU 54 20.315 -2.873 9.122 349 1HB LEU 54 2HB LEU 54 22.165 -1.955 10.298 350 2HB LEU 54 1HB LEU 54 22.578 -0.889 8.978 351 HG LEU 54 HG LEU 54 19.885 -0.580 10.375 352 1HD1 LEU 54 1HD1 LEU 54 21.745 -0.502 12.055 353 2HD1 LEU 54 2HD1 LEU 54 21.013 1.081 11.803 354 3HD1 LEU 54 3HD1 LEU 54 22.571 0.698 11.063 355 1HD2 LEU 54 1HD2 LEU 54 20.444 0.694 8.178 356 2HD2 LEU 54 2HD2 LEU 54 21.866 1.288 8.982 357 3HD2 LEU 54 3HD2 LEU 54 20.263 1.752 9.549 358 H CYS 55 H CYS 55 18.687 -1.582 8.817 359 HA CYS 55 HA CYS 55 18.424 0.309 6.621 360 1HB CYS 55 2HB CYS 55 18.406 -1.842 5.451 361 2HB CYS 55 1HB CYS 55 17.172 -2.453 6.476 362 H VAL 56 H VAL 56 15.786 0.594 6.349 363 HA VAL 56 HA VAL 56 14.323 0.351 8.871 364 HB VAL 56 HB VAL 56 15.687 2.331 9.387 365 1HG1 VAL 56 1HG1 VAL 56 14.642 3.681 6.859 366 2HG1 VAL 56 2HG1 VAL 56 16.292 3.148 7.156 367 3HG1 VAL 56 3HG1 VAL 56 15.597 4.433 8.116 368 1HG2 VAL 56 1HG2 VAL 56 12.827 3.134 8.734 369 2HG2 VAL 56 2HG2 VAL 56 13.900 3.998 9.820 370 3HG2 VAL 56 3HG2 VAL 56 13.385 2.367 10.211 371 H ASN 57 H ASN 57 12.916 -0.755 7.735 372 HA ASN 57 HA ASN 57 11.580 0.239 5.327 373 1HB ASN 57 2HB ASN 57 12.236 -2.212 5.791 374 2HB ASN 57 1HB ASN 57 10.918 -2.252 6.935 375 1HD2 ASN 57 1HD2 ASN 57 11.802 -2.517 3.668 376 2HD2 ASN 57 2HD2 ASN 57 10.245 -2.647 3.008 377 H LEU 58 H LEU 58 9.281 0.116 5.159 378 HA LEU 58 HA LEU 58 7.278 0.235 7.112 379 1HB LEU 58 2HB LEU 58 6.792 2.636 7.364 380 2HB LEU 58 1HB LEU 58 8.362 2.301 7.996 381 HG LEU 58 HG LEU 58 8.030 3.429 5.194 382 1HD1 LEU 58 1HD1 LEU 58 8.495 5.652 6.278 383 2HD1 LEU 58 2HD1 LEU 58 8.512 4.896 7.863 384 3HD1 LEU 58 3HD1 LEU 58 7.018 4.982 6.947 385 1HD2 LEU 58 1HD2 LEU 58 10.285 3.405 7.227 386 2HD2 LEU 58 2HD2 LEU 58 10.352 4.156 5.649 387 3HD2 LEU 58 3HD2 LEU 58 10.203 2.422 5.773 388 H GLU 59 H GLU 59 5.814 2.315 5.957 389 HA GLU 59 HA GLU 59 4.919 0.977 3.503 390 1HB GLU 59 2HB GLU 59 3.341 1.646 5.347 391 2HB GLU 59 1HB GLU 59 3.736 3.321 5.079 392 1HG GLU 59 2HG GLU 59 2.727 3.212 2.878 393 2HG GLU 59 1HG GLU 59 2.383 1.490 3.026 394 H GLY 60 H GLY 60 6.173 1.274 1.974 395 1HA GLY 60 2HA GLY 60 7.036 2.129 0.065 396 2HA GLY 60 1HA GLY 60 5.870 3.420 0.248 397 H GLY 61 H GLY 61 7.236 3.816 2.972 398 1HA GLY 61 2HA GLY 61 9.147 5.864 2.071 399 2HA GLY 61 1HA GLY 61 8.566 5.615 3.716 400 H TYR 62 H TYR 62 9.516 2.748 2.537 401 HA TYR 62 HA TYR 62 11.597 2.236 4.324 402 1HB TYR 62 2HB TYR 62 12.137 0.266 3.055 403 2HB TYR 62 1HB TYR 62 10.424 0.530 2.771 404 HD1 TYR 62 1HD TYR 62 13.627 0.193 1.271 405 HD2 TYR 62 2HD TYR 62 9.783 1.906 0.602 406 HE1 TYR 62 1HE TYR 62 14.138 0.380 -1.099 407 HE2 TYR 62 2HE TYR 62 10.298 2.096 -1.782 408 HH TYR 62 HH TYR 62 13.332 1.875 -3.042 409 H LYS 63 H LYS 63 13.715 2.669 4.521 410 HA LYS 63 HA LYS 63 15.331 3.434 2.231 411 1HB LYS 63 2HB LYS 63 15.043 5.065 4.751 412 2HB LYS 63 1HB LYS 63 16.246 5.241 3.538 413 1HG LYS 63 2HG LYS 63 14.523 5.855 1.839 414 2HG LYS 63 1HG LYS 63 13.262 5.607 3.020 415 1HD LYS 63 2HD LYS 63 13.701 8.002 2.814 416 2HD LYS 63 1HD LYS 63 14.171 7.458 4.410 417 1HE LYS 63 2HE LYS 63 16.563 7.368 3.683 418 2HE LYS 63 1HE LYS 63 16.086 7.892 2.071 419 1HZ LYS 63 1HZ LYS 63 16.900 9.687 3.502 420 2HZ LYS 63 2HZ LYS 63 15.589 9.432 4.549 421 3HZ LYS 63 3HZ LYS 63 15.315 9.947 2.953 422 H CYS 64 H CYS 64 17.492 3.312 2.780 423 HA CYS 64 HA CYS 64 18.126 1.744 5.208 424 1HB CYS 64 2HB CYS 64 17.987 0.462 3.252 425 2HB CYS 64 1HB CYS 64 19.211 1.396 2.439 426 H GLN 65 H GLN 65 20.232 1.588 5.791 427 HA GLN 65 HA GLN 65 22.150 3.770 5.138 428 1HB GLN 65 2HB GLN 65 21.487 3.085 8.040 429 2HB GLN 65 1HB GLN 65 22.493 4.364 7.446 430 1HG GLN 65 2HG GLN 65 20.615 5.571 6.456 431 2HG GLN 65 1HG GLN 65 19.496 4.309 6.962 432 1HE2 GLN 65 1HE2 GLN 65 19.382 3.899 9.377 433 2HE2 GLN 65 2HE2 GLN 65 19.606 5.220 10.420 434 H CYS 66 H CYS 66 24.053 3.073 6.972 435 HA CYS 66 HA CYS 66 24.579 0.208 6.313 436 1HB CYS 66 2HB CYS 66 26.542 2.453 6.766 437 2HB CYS 66 1HB CYS 66 26.838 0.844 6.278 438 H GLU 67 H GLU 67 26.050 -0.905 7.627 439 HA GLU 67 HA GLU 67 25.275 -0.823 10.451 440 1HB GLU 67 2HB GLU 67 25.523 -2.933 9.012 441 2HB GLU 67 1HB GLU 67 27.239 -2.674 9.004 442 1HG GLU 67 2HG GLU 67 25.570 -3.162 11.502 443 2HG GLU 67 1HG GLU 67 26.565 -4.359 10.708 444 H GLU 68 H GLU 68 26.180 1.207 10.874 445 HA GLU 68 HA GLU 68 27.760 2.748 11.571 446 1HB GLU 68 2HB GLU 68 28.967 0.169 12.645 447 2HB GLU 68 1HB GLU 68 29.409 1.772 13.196 448 1HG GLU 68 2HG GLU 68 27.050 2.178 13.907 449 2HG GLU 68 1HG GLU 68 26.593 0.584 13.327 450 H GLY 69 H GLY 69 30.115 0.202 11.097 451 1HA GLY 69 2HA GLY 69 32.067 1.915 9.967 452 2HA GLY 69 1HA GLY 69 32.201 0.175 10.120 453 H PHE 70 H PHE 70 29.517 0.088 8.572 454 HA PHE 70 HA PHE 70 30.723 -0.296 6.035 455 1HB PHE 70 2HB PHE 70 27.916 -0.544 7.085 456 2HB PHE 70 1HB PHE 70 28.282 -0.862 5.400 457 HD1 PHE 70 1HD PHE 70 30.594 -1.870 8.180 458 HD2 PHE 70 2HD PHE 70 27.542 -3.146 5.495 459 HE1 PHE 70 1HE PHE 70 31.060 -4.182 8.764 460 HE2 PHE 70 2HE PHE 70 28.034 -5.472 6.079 461 HZ PHE 70 HZ PHE 70 29.788 -6.003 7.710 462 H GLN 71 H GLN 71 29.959 0.671 4.063 463 HA GLN 71 HA GLN 71 28.753 3.323 4.266 464 1HB GLN 71 2HB GLN 71 31.418 2.508 3.185 465 2HB GLN 71 1HB GLN 71 30.583 3.751 2.324 466 1HG GLN 71 2HG GLN 71 31.188 3.823 5.331 467 2HG GLN 71 1HG GLN 71 32.092 4.710 4.106 468 1HE2 GLN 71 1HE2 GLN 71 30.726 6.124 6.143 469 2HE2 GLN 71 2HE2 GLN 71 29.416 6.963 5.464 470 H LEU 72 H LEU 72 28.490 4.225 2.099 471 HA LEU 72 HA LEU 72 26.681 2.399 0.676 472 1HB LEU 72 2HB LEU 72 26.113 4.797 1.036 473 2HB LEU 72 1HB LEU 72 27.450 5.263 0.005 474 HG LEU 72 HG LEU 72 26.397 3.894 -1.862 475 1HD1 LEU 72 1HD1 LEU 72 24.028 3.717 0.038 476 2HD1 LEU 72 2HD1 LEU 72 25.000 2.362 -0.509 477 3HD1 LEU 72 3HD1 LEU 72 24.018 3.254 -1.653 478 1HD2 LEU 72 1HD2 LEU 72 24.618 5.565 -2.351 479 2HD2 LEU 72 2HD2 LEU 72 26.061 6.348 -1.723 480 3HD2 LEU 72 3HD2 LEU 72 24.665 6.107 -0.679 481 H ASP 73 H ASP 73 27.706 0.912 -0.445 482 HA ASP 73 HA ASP 73 30.159 1.342 -1.936 483 1HB ASP 73 2HB ASP 73 29.526 -0.875 -0.974 484 2HB ASP 73 1HB ASP 73 28.181 -0.987 -2.097 485 HA PRO 74 HA PRO 74 27.960 2.957 -5.505 486 1HB PRO 74 2HB PRO 74 30.011 3.228 -7.222 487 2HB PRO 74 1HB PRO 74 29.888 4.240 -5.803 488 1HG PRO 74 2HG PRO 74 31.538 1.771 -6.170 489 2HG PRO 74 1HG PRO 74 31.996 3.338 -5.481 490 1HD PRO 74 2HD PRO 74 31.324 1.201 -3.955 491 2HD PRO 74 1HD PRO 74 31.040 2.875 -3.443 492 H HIS 75 H HIS 75 27.605 2.428 -7.740 493 HA HIS 75 HA HIS 75 26.951 0.993 -9.453 494 1HB HIS 75 2HB HIS 75 29.294 -0.716 -8.485 495 2HB HIS 75 1HB HIS 75 28.487 -0.849 -10.039 496 HD1 HIS 75 1HD HIS 75 30.743 1.428 -8.185 497 HD2 HIS 75 2HD HIS 75 29.148 1.150 -11.934 498 HE1 HIS 75 1HE HIS 75 31.932 3.091 -9.572 499 H THR 76 H THR 76 26.599 0.317 -6.374 500 HA THR 76 HA THR 76 24.809 -2.016 -6.795 501 HB THR 76 HB THR 76 25.625 -2.942 -4.558 502 HG1 THR 76 1HG THR 76 26.411 -1.135 -3.670 503 1HG2 THR 76 1HG2 THR 76 27.979 -2.437 -6.494 504 2HG2 THR 76 2HG2 THR 76 26.826 -3.739 -6.730 505 3HG2 THR 76 3HG2 THR 76 27.874 -3.737 -5.321 506 H LYS 77 H LYS 77 25.896 0.574 -4.854 507 HA LYS 77 HA LYS 77 24.859 2.125 -3.448 508 1HB LYS 77 2HB LYS 77 22.422 1.092 -4.710 509 2HB LYS 77 1HB LYS 77 22.490 2.569 -3.783 510 1HG LYS 77 2HG LYS 77 24.197 3.475 -5.388 511 2HG LYS 77 1HG LYS 77 24.060 2.013 -6.347 512 1HD LYS 77 2HD LYS 77 21.653 2.489 -6.754 513 2HD LYS 77 1HD LYS 77 21.773 3.949 -5.787 514 1HE LYS 77 2HE LYS 77 21.967 4.488 -8.201 515 2HE LYS 77 1HE LYS 77 23.466 4.867 -7.369 516 1HZ LYS 77 1HZ LYS 77 23.591 3.597 -9.547 517 2HZ LYS 77 2HZ LYS 77 23.067 2.248 -8.658 518 3HZ LYS 77 3HZ LYS 77 24.520 3.024 -8.245 519 H ALA 78 H ALA 78 25.187 -0.816 -2.881 520 HA ALA 78 HA ALA 78 23.247 -1.248 -0.664 521 1HB ALA 78 1HB ALA 78 25.237 -3.127 -1.996 522 2HB ALA 78 2HB ALA 78 23.514 -3.071 -2.339 523 3HB ALA 78 3HB ALA 78 24.080 -3.591 -0.756 524 H CYS 79 H CYS 79 23.992 -1.477 1.447 525 HA CYS 79 HA CYS 79 26.585 -0.276 1.978 526 1HB CYS 79 2HB CYS 79 24.491 -1.348 3.831 527 2HB CYS 79 1HB CYS 79 25.996 -0.693 4.387 528 H LYS 80 H LYS 80 28.321 -1.061 2.844 529 HA LYS 80 HA LYS 80 28.558 -3.778 3.876 530 1HB LYS 80 2HB LYS 80 30.266 -4.425 2.482 531 2HB LYS 80 1HB LYS 80 28.775 -4.296 1.538 532 1HG LYS 80 2HG LYS 80 29.583 -1.933 0.835 533 2HG LYS 80 1HG LYS 80 31.126 -2.301 1.565 534 1HD LYS 80 2HD LYS 80 31.321 -2.677 -0.808 535 2HD LYS 80 1HD LYS 80 31.421 -4.215 0.017 536 1HE LYS 80 2HE LYS 80 29.088 -4.743 -0.547 537 2HE LYS 80 1HE LYS 80 28.857 -3.156 -1.264 538 1HZ LYS 80 1HZ LYS 80 30.921 -5.055 -2.195 539 2HZ LYS 80 2HZ LYS 80 30.345 -3.662 -2.979 540 3HZ LYS 80 3HZ LYS 80 29.342 -5.024 -2.822 541 H ALA 81 H ALA 81 30.852 -4.097 4.716 542 HA ALA 81 HA ALA 81 31.896 -2.057 6.271 543 1HB ALA 81 1HB ALA 81 33.480 -4.264 4.913 544 2HB ALA 81 2HB ALA 81 32.625 -4.410 6.439 545 3HB ALA 81 3HB ALA 81 34.016 -3.346 6.312 546 H VAL 82 H VAL 82 32.764 -0.130 5.886 547 HA VAL 82 HA VAL 82 33.277 0.977 3.415 548 HB VAL 82 HB VAL 82 33.051 2.262 5.519 549 1HG1 VAL 82 1HG1 VAL 82 35.880 1.290 6.156 550 2HG1 VAL 82 2HG1 VAL 82 34.438 0.789 7.008 551 3HG1 VAL 82 3HG1 VAL 82 34.967 2.458 7.093 552 1HG2 VAL 82 1HG2 VAL 82 35.670 2.850 4.087 553 2HG2 VAL 82 2HG2 VAL 82 34.784 3.978 5.096 554 3HG2 VAL 82 3HG2 VAL 82 34.077 3.404 3.596 Start of MODEL 23 1 H GLY 1 H GLY 1 -25.442 -4.162 -1.272 2 1HA GLY 1 2HA GLY 1 -25.530 -5.343 1.459 3 2HA GLY 1 1HA GLY 1 -23.975 -4.926 0.740 4 H THR 2 H THR 2 -25.481 -3.902 3.096 5 HA THR 2 HA THR 2 -26.535 -1.366 2.879 6 HB THR 2 HB THR 2 -24.715 -2.448 5.065 7 HG1 THR 2 1HG THR 2 -26.652 -3.613 4.450 8 1HG2 THR 2 1HG2 THR 2 -26.815 -0.264 5.294 9 2HG2 THR 2 2HG2 THR 2 -25.079 0.001 5.404 10 3HG2 THR 2 3HG2 THR 2 -25.881 -0.968 6.612 11 H ASN 3 H ASN 3 -25.570 0.696 3.568 12 HA ASN 3 HA ASN 3 -23.008 1.169 2.151 13 1HB ASN 3 2HB ASN 3 -25.097 2.473 1.542 14 2HB ASN 3 1HB ASN 3 -25.100 3.154 3.157 15 1HD2 ASN 3 1HD2 ASN 3 -24.934 5.100 1.412 16 2HD2 ASN 3 2HD2 ASN 3 -23.355 5.676 1.173 17 H GLU 4 H GLU 4 -22.503 -0.174 4.259 18 HA GLU 4 HA GLU 4 -22.451 1.076 6.814 19 1HB GLU 4 2HB GLU 4 -21.153 -0.778 7.485 20 2HB GLU 4 1HB GLU 4 -22.136 -1.412 6.193 21 1HG GLU 4 2HG GLU 4 -19.195 -0.631 6.032 22 2HG GLU 4 1HG GLU 4 -19.872 -2.228 5.925 23 H CYS 5 H CYS 5 -20.772 1.920 4.066 24 HA CYS 5 HA CYS 5 -18.211 2.505 5.103 25 1HB CYS 5 2HB CYS 5 -19.020 2.429 2.647 26 2HB CYS 5 1HB CYS 5 -19.540 4.071 2.892 27 H LEU 6 H LEU 6 -21.208 4.050 4.972 28 HA LEU 6 HA LEU 6 -20.776 6.709 5.539 29 1HB LEU 6 2HB LEU 6 -22.924 4.864 6.603 30 2HB LEU 6 1HB LEU 6 -23.016 6.602 6.641 31 HG LEU 6 HG LEU 6 -22.775 4.880 4.114 32 1HD1 LEU 6 1HD1 LEU 6 -24.982 4.692 5.241 33 2HD1 LEU 6 2HD1 LEU 6 -25.142 5.574 3.730 34 3HD1 LEU 6 3HD1 LEU 6 -25.134 6.442 5.257 35 1HD2 LEU 6 1HD2 LEU 6 -21.780 7.166 3.791 36 2HD2 LEU 6 2HD2 LEU 6 -23.268 7.890 4.378 37 3HD2 LEU 6 3HD2 LEU 6 -23.256 6.990 2.872 38 H ASP 7 H ASP 7 -20.861 3.993 7.717 39 HA ASP 7 HA ASP 7 -20.020 5.666 10.059 40 1HB ASP 7 2HB ASP 7 -22.087 4.114 10.157 41 2HB ASP 7 1HB ASP 7 -20.972 2.781 9.920 42 H ASN 8 H ASN 8 -18.772 3.560 11.360 43 HA ASN 8 HA ASN 8 -16.140 3.672 10.582 44 1HB ASN 8 2HB ASN 8 -17.627 1.558 11.943 45 2HB ASN 8 1HB ASN 8 -15.884 1.629 12.027 46 1HD2 ASN 8 1HD2 ASN 8 -15.017 3.823 12.861 47 2HD2 ASN 8 2HD2 ASN 8 -15.892 4.584 14.101 48 H ASN 9 H ASN 9 -14.990 2.689 8.852 49 HA ASN 9 HA ASN 9 -16.176 1.476 6.698 50 1HB ASN 9 2HB ASN 9 -13.357 1.119 7.783 51 2HB ASN 9 1HB ASN 9 -13.848 0.610 6.190 52 1HD2 ASN 9 1HD2 ASN 9 -15.312 3.567 7.392 53 2HD2 ASN 9 2HD2 ASN 9 -14.378 4.621 6.450 54 H GLY 10 H GLY 10 -17.721 -0.018 7.432 55 1HA GLY 10 2HA GLY 10 -18.500 -2.192 7.621 56 2HA GLY 10 1HA GLY 10 -16.840 -2.723 7.405 57 H GLY 11 H GLY 11 -16.427 -0.652 9.740 58 1HA GLY 11 2HA GLY 11 -17.329 -0.868 12.146 59 2HA GLY 11 1HA GLY 11 -16.769 -2.544 11.997 60 H CYS 12 H CYS 12 -15.065 -0.116 10.205 61 HA CYS 12 HA CYS 12 -12.964 0.226 12.213 62 1HB CYS 12 2HB CYS 12 -12.665 -0.776 9.390 63 2HB CYS 12 1HB CYS 12 -11.408 -0.455 10.515 64 H SER 13 H SER 13 -11.382 1.209 9.807 65 HA SER 13 HA SER 13 -12.825 3.400 8.654 66 1HB SER 13 2HB SER 13 -11.588 5.225 9.876 67 2HB SER 13 1HB SER 13 -12.555 4.258 10.997 68 HG SER 13 HG SER 13 -9.795 3.936 10.398 69 H HIS 14 H HIS 14 -11.264 1.228 7.935 70 HA HIS 14 HA HIS 14 -8.798 2.361 6.737 71 1HB HIS 14 2HB HIS 14 -9.745 -0.513 7.162 72 2HB HIS 14 1HB HIS 14 -8.210 -0.033 6.481 73 HD1 HIS 14 1HD HIS 14 -9.001 -1.403 9.375 74 HD2 HIS 14 2HD HIS 14 -7.389 2.293 8.726 75 HE1 HIS 14 1HE HIS 14 -7.904 -0.743 11.483 76 H VAL 15 H VAL 15 -10.784 -0.317 5.671 77 HA VAL 15 HA VAL 15 -11.500 1.124 3.154 78 HB VAL 15 HB VAL 15 -10.577 -1.768 3.418 79 1HG1 VAL 15 1HG1 VAL 15 -10.815 -1.845 0.929 80 2HG1 VAL 15 2HG1 VAL 15 -11.444 -0.206 0.937 81 3HG1 VAL 15 3HG1 VAL 15 -12.353 -1.503 1.690 82 1HG2 VAL 15 1HG2 VAL 15 -9.262 0.584 2.014 83 2HG2 VAL 15 2HG2 VAL 15 -8.693 -1.077 1.986 84 3HG2 VAL 15 3HG2 VAL 15 -8.688 -0.174 3.493 85 H CYS 16 H CYS 16 -13.637 1.328 3.249 86 HA CYS 16 HA CYS 16 -15.301 -0.545 4.757 87 1HB CYS 16 2HB CYS 16 -17.071 0.949 4.132 88 2HB CYS 16 1HB CYS 16 -15.726 1.943 4.585 89 H ASN 17 H ASN 17 -14.687 -2.518 3.554 90 HA ASN 17 HA ASN 17 -15.358 -2.514 0.665 91 1HB ASN 17 2HB ASN 17 -13.292 -3.447 1.159 92 2HB ASN 17 1HB ASN 17 -13.818 -4.335 2.538 93 1HD2 ASN 17 1HD2 ASN 17 -13.890 -6.558 1.945 94 2HD2 ASN 17 2HD2 ASN 17 -14.325 -7.156 0.420 95 H ASP 18 H ASP 18 -17.307 -2.156 0.917 96 HA ASP 18 HA ASP 18 -19.383 -3.196 2.405 97 1HB ASP 18 2HB ASP 18 -19.425 -1.226 0.888 98 2HB ASP 18 1HB ASP 18 -19.462 -2.291 -0.491 99 H LEU 19 H LEU 19 -18.963 -5.432 2.662 100 HA LEU 19 HA LEU 19 -19.150 -7.307 0.521 101 1HB LEU 19 2HB LEU 19 -18.107 -7.475 2.953 102 2HB LEU 19 1HB LEU 19 -19.753 -7.766 3.456 103 HG LEU 19 HG LEU 19 -19.897 -9.756 1.974 104 1HD1 LEU 19 1HD1 LEU 19 -17.753 -10.559 0.989 105 2HD1 LEU 19 2HD1 LEU 19 -16.938 -9.124 1.608 106 3HD1 LEU 19 3HD1 LEU 19 -18.140 -8.978 0.341 107 1HD2 LEU 19 1HD2 LEU 19 -17.582 -9.705 3.949 108 2HD2 LEU 19 2HD2 LEU 19 -18.451 -11.145 3.430 109 3HD2 LEU 19 3HD2 LEU 19 -19.275 -9.907 4.351 110 H LYS 20 H LYS 20 -20.978 -9.010 0.608 111 HA LYS 20 HA LYS 20 -23.505 -7.608 0.343 112 1HB LYS 20 2HB LYS 20 -24.375 -9.859 -0.257 113 2HB LYS 20 1HB LYS 20 -22.884 -9.516 -1.109 114 1HG LYS 20 2HG LYS 20 -21.623 -10.888 0.580 115 2HG LYS 20 1HG LYS 20 -23.144 -11.289 1.363 116 1HD LYS 20 2HD LYS 20 -23.989 -12.306 -0.730 117 2HD LYS 20 1HD LYS 20 -22.470 -11.936 -1.527 118 1HE LYS 20 2HE LYS 20 -22.787 -13.747 0.911 119 2HE LYS 20 1HE LYS 20 -22.483 -14.281 -0.737 120 1HZ LYS 20 1HZ LYS 20 -20.399 -14.259 0.140 121 2HZ LYS 20 2HZ LYS 20 -20.689 -12.904 1.123 122 3HZ LYS 20 3HZ LYS 20 -20.461 -12.707 -0.549 123 H ILE 21 H ILE 21 -22.130 -9.979 2.588 124 HA ILE 21 HA ILE 21 -23.848 -9.042 4.781 125 HB ILE 21 HB ILE 21 -23.516 -11.941 3.886 126 1HG1 ILE 21 2HG1 ILE 21 -26.031 -10.193 3.928 127 2HG1 ILE 21 1HG1 ILE 21 -25.177 -10.703 2.487 128 1HG2 ILE 21 1HG2 ILE 21 -25.016 -12.449 5.832 129 2HG2 ILE 21 2HG2 ILE 21 -25.012 -10.738 6.250 130 3HG2 ILE 21 3HG2 ILE 21 -23.529 -11.681 6.345 131 1HD1 ILE 21 1HD1 ILE 21 -25.660 -13.071 2.987 132 2HD1 ILE 21 2HD1 ILE 21 -27.135 -12.126 2.850 133 3HD1 ILE 21 3HD1 ILE 21 -26.547 -12.602 4.429 134 H GLY 22 H GLY 22 -22.338 -8.455 6.268 135 1HA GLY 22 2HA GLY 22 -20.725 -8.899 7.912 136 2HA GLY 22 1HA GLY 22 -20.202 -10.269 6.966 137 H TYR 23 H TYR 23 -20.635 -6.942 6.245 138 HA TYR 23 HA TYR 23 -18.798 -6.172 4.429 139 1HB TYR 23 2HB TYR 23 -19.204 -4.508 6.902 140 2HB TYR 23 1HB TYR 23 -18.896 -3.968 5.261 141 HD1 TYR 23 1HD TYR 23 -21.431 -5.132 7.552 142 HD2 TYR 23 2HD TYR 23 -20.675 -4.376 3.438 143 HE1 TYR 23 1HE TYR 23 -23.833 -5.238 7.095 144 HE2 TYR 23 2HE TYR 23 -23.081 -4.480 2.987 145 HH TYR 23 HH TYR 23 -25.082 -5.337 3.886 146 H GLU 24 H GLU 24 -16.779 -5.239 4.355 147 HA GLU 24 HA GLU 24 -14.864 -6.306 6.333 148 1HB GLU 24 2HB GLU 24 -14.665 -5.735 3.444 149 2HB GLU 24 1HB GLU 24 -13.307 -6.268 4.382 150 1HG GLU 24 2HG GLU 24 -15.931 -7.697 3.876 151 2HG GLU 24 1HG GLU 24 -14.382 -8.106 3.156 152 H CYS 25 H CYS 25 -12.929 -5.521 6.526 153 HA CYS 25 HA CYS 25 -12.489 -2.667 6.549 154 1HB CYS 25 2HB CYS 25 -11.760 -4.818 8.549 155 2HB CYS 25 1HB CYS 25 -11.219 -3.180 8.647 156 H LEU 26 H LEU 26 -11.500 -3.497 4.309 157 HA LEU 26 HA LEU 26 -9.119 -5.131 4.522 158 1HB LEU 26 2HB LEU 26 -9.715 -3.313 2.194 159 2HB LEU 26 1HB LEU 26 -8.855 -4.803 2.253 160 HG LEU 26 HG LEU 26 -11.824 -4.666 2.685 161 1HD1 LEU 26 1HD1 LEU 26 -11.931 -5.839 0.472 162 2HD1 LEU 26 2HD1 LEU 26 -10.199 -5.673 0.315 163 3HD1 LEU 26 3HD1 LEU 26 -11.222 -4.245 0.331 164 1HD2 LEU 26 1HD2 LEU 26 -11.765 -7.130 2.605 165 2HD2 LEU 26 2HD2 LEU 26 -10.835 -6.524 3.959 166 3HD2 LEU 26 3HD2 LEU 26 -10.010 -7.095 2.514 167 H CYS 27 H CYS 27 -7.230 -4.123 3.191 168 HA CYS 27 HA CYS 27 -6.139 -1.983 4.858 169 1HB CYS 27 2HB CYS 27 -4.878 -3.844 2.858 170 2HB CYS 27 1HB CYS 27 -4.010 -2.712 3.864 171 HA PRO 28 HA PRO 28 -6.631 1.066 1.638 172 1HB PRO 28 2HB PRO 28 -4.932 2.965 2.708 173 2HB PRO 28 1HB PRO 28 -6.565 2.706 3.227 174 1HG PRO 28 2HG PRO 28 -4.055 1.880 4.527 175 2HG PRO 28 1HG PRO 28 -5.608 2.319 5.242 176 1HD PRO 28 2HD PRO 28 -4.651 -0.254 4.962 177 2HD PRO 28 1HD PRO 28 -6.349 0.189 5.205 178 H ASP 29 H ASP 29 -3.374 1.066 2.912 179 HA ASP 29 HA ASP 29 -2.149 1.453 0.306 180 1HB ASP 29 2HB ASP 29 -0.056 1.489 1.645 181 2HB ASP 29 1HB ASP 29 -1.266 2.546 2.323 182 H GLY 30 H GLY 30 -0.001 0.118 0.115 183 1HA GLY 30 2HA GLY 30 -0.556 -2.325 -1.021 184 2HA GLY 30 1HA GLY 30 1.037 -1.811 -0.543 185 H PHE 31 H PHE 31 -0.303 -1.971 2.401 186 HA PHE 31 HA PHE 31 0.962 -4.420 3.067 187 1HB PHE 31 2HB PHE 31 -1.075 -2.744 4.488 188 2HB PHE 31 1HB PHE 31 -0.348 -4.129 5.236 189 HD1 PHE 31 1HD PHE 31 1.932 -2.427 2.951 190 HD2 PHE 31 2HD PHE 31 0.379 -2.427 6.927 191 HE1 PHE 31 1HE PHE 31 3.781 -1.028 3.651 192 HE2 PHE 31 2HE PHE 31 2.281 -1.005 7.629 193 HZ PHE 31 HZ PHE 31 3.967 -0.332 5.986 194 H GLN 32 H GLN 32 -0.056 -6.150 4.297 195 HA GLN 32 HA GLN 32 -2.421 -7.184 2.787 196 1HB GLN 32 2HB GLN 32 -0.111 -8.599 4.129 197 2HB GLN 32 1HB GLN 32 -1.449 -9.402 3.377 198 1HG GLN 32 2HG GLN 32 0.580 -7.535 2.032 199 2HG GLN 32 1HG GLN 32 0.518 -9.280 1.861 200 1HE2 GLN 32 1HE2 GLN 32 -0.782 -6.290 0.677 201 2HE2 GLN 32 2HE2 GLN 32 -1.876 -6.968 -0.428 202 H LEU 33 H LEU 33 -4.253 -7.531 3.832 203 HA LEU 33 HA LEU 33 -4.502 -6.967 6.656 204 1HB LEU 33 2HB LEU 33 -6.336 -6.703 4.815 205 2HB LEU 33 1HB LEU 33 -6.556 -8.431 4.921 206 HG LEU 33 HG LEU 33 -6.950 -8.117 7.445 207 1HD1 LEU 33 1HD1 LEU 33 -7.140 -5.190 6.614 208 2HD1 LEU 33 2HD1 LEU 33 -5.913 -5.852 7.676 209 3HD1 LEU 33 3HD1 LEU 33 -7.590 -5.828 8.177 210 1HD2 LEU 33 1HD2 LEU 33 -8.845 -8.466 5.913 211 2HD2 LEU 33 2HD2 LEU 33 -8.902 -6.747 5.577 212 3HD2 LEU 33 3HD2 LEU 33 -9.277 -7.326 7.179 213 H VAL 34 H VAL 34 -3.679 -8.314 8.100 214 HA VAL 34 HA VAL 34 -3.344 -11.174 7.646 215 HB VAL 34 HB VAL 34 -2.770 -9.439 10.105 216 1HG1 VAL 34 1HG1 VAL 34 -2.996 -11.872 10.708 217 2HG1 VAL 34 2HG1 VAL 34 -1.337 -11.333 10.845 218 3HG1 VAL 34 3HG1 VAL 34 -1.840 -12.276 9.452 219 1HG2 VAL 34 1HG2 VAL 34 -0.945 -10.504 7.938 220 2HG2 VAL 34 2HG2 VAL 34 -0.427 -9.569 9.332 221 3HG2 VAL 34 3HG2 VAL 34 -1.432 -8.822 8.103 222 H ALA 35 H ALA 35 -4.481 -9.955 10.736 223 HA ALA 35 HA ALA 35 -6.378 -12.064 10.955 224 1HB ALA 35 1HB ALA 35 -6.698 -11.123 13.266 225 2HB ALA 35 2HB ALA 35 -5.681 -9.764 12.814 226 3HB ALA 35 3HB ALA 35 -5.010 -11.386 12.867 227 H GLN 36 H GLN 36 -7.183 -10.518 8.875 228 HA GLN 36 HA GLN 36 -8.973 -9.404 7.937 229 1HB GLN 36 2HB GLN 36 -10.389 -10.478 10.415 230 2HB GLN 36 1HB GLN 36 -11.190 -9.884 8.975 231 1HG GLN 36 2HG GLN 36 -10.099 -11.649 7.608 232 2HG GLN 36 1HG GLN 36 -9.273 -12.256 9.039 233 1HE2 GLN 36 1HE2 GLN 36 -12.448 -11.932 7.496 234 2HE2 GLN 36 2HE2 GLN 36 -13.239 -13.052 8.498 235 H ARG 37 H ARG 37 -7.370 -7.989 10.184 236 HA ARG 37 HA ARG 37 -9.090 -5.578 10.271 237 1HB ARG 37 2HB ARG 37 -7.842 -6.860 12.708 238 2HB ARG 37 1HB ARG 37 -8.610 -5.287 12.708 239 1HG ARG 37 2HG ARG 37 -9.975 -7.958 12.104 240 2HG ARG 37 1HG ARG 37 -10.008 -7.150 13.649 241 1HD ARG 37 2HD ARG 37 -11.068 -5.891 11.103 242 2HD ARG 37 1HD ARG 37 -12.043 -6.761 12.296 243 HE ARG 37 HE ARG 37 -10.383 -4.549 13.331 244 1HH1 ARG 37 2HH1 ARG 37 -13.499 -5.604 12.206 245 2HH1 ARG 37 1HH1 ARG 37 -14.334 -4.300 12.977 246 1HH2 ARG 37 1HH2 ARG 37 -11.438 -2.896 14.308 247 2HH2 ARG 37 2HH2 ARG 37 -13.159 -2.749 14.176 248 H ARG 38 H ARG 38 -5.993 -6.864 11.419 249 HA ARG 38 HA ARG 38 -4.676 -4.274 11.046 250 1HB ARG 38 2HB ARG 38 -2.782 -5.409 12.130 251 2HB ARG 38 1HB ARG 38 -4.235 -5.438 13.100 252 1HG ARG 38 2HG ARG 38 -4.666 -7.790 12.414 253 2HG ARG 38 1HG ARG 38 -3.256 -7.772 11.372 254 1HD ARG 38 2HD ARG 38 -3.170 -7.370 14.388 255 2HD ARG 38 1HD ARG 38 -2.745 -8.857 13.540 256 HE ARG 38 HE ARG 38 -1.258 -6.690 12.421 257 1HH1 ARG 38 2HH1 ARG 38 -1.490 -8.615 15.293 258 2HH1 ARG 38 1HH1 ARG 38 0.185 -8.424 15.689 259 1HH2 ARG 38 1HH2 ARG 38 0.858 -6.433 12.902 260 2HH2 ARG 38 2HH2 ARG 38 1.535 -7.170 14.317 261 H CYS 39 H CYS 39 -3.331 -3.744 9.523 262 HA CYS 39 HA CYS 39 -2.740 -5.632 7.324 263 1HB CYS 39 2HB CYS 39 -2.423 -2.631 7.537 264 2HB CYS 39 1HB CYS 39 -2.278 -3.589 6.077 265 H GLU 40 H GLU 40 -0.679 -6.276 6.759 266 HA GLU 40 HA GLU 40 1.532 -5.533 8.569 267 1HB GLU 40 2HB GLU 40 2.514 -7.597 7.878 268 2HB GLU 40 1HB GLU 40 0.869 -7.929 8.369 269 1HG GLU 40 2HG GLU 40 0.214 -7.704 5.909 270 2HG GLU 40 1HG GLU 40 1.903 -7.572 5.515 271 H ASP 41 H ASP 41 3.429 -4.908 7.844 272 HA ASP 41 HA ASP 41 3.593 -3.576 5.274 273 1HB ASP 41 2HB ASP 41 4.561 -2.499 7.317 274 2HB ASP 41 1HB ASP 41 5.610 -3.875 7.554 275 H ILE 42 H ILE 42 5.370 -3.681 3.930 276 HA ILE 42 HA ILE 42 6.304 -6.379 3.386 277 HB ILE 42 HB ILE 42 6.054 -3.910 1.557 278 1HG1 ILE 42 2HG1 ILE 42 4.314 -6.430 1.701 279 2HG1 ILE 42 1HG1 ILE 42 3.841 -4.855 2.303 280 1HG2 ILE 42 1HG2 ILE 42 7.856 -5.516 0.854 281 2HG2 ILE 42 2HG2 ILE 42 6.541 -5.526 -0.299 282 3HG2 ILE 42 3HG2 ILE 42 6.691 -6.827 0.870 283 1HD1 ILE 42 1HD1 ILE 42 3.983 -3.905 0.025 284 2HD1 ILE 42 2HD1 ILE 42 2.859 -5.253 0.083 285 3HD1 ILE 42 3HD1 ILE 42 4.448 -5.473 -0.618 286 H ASP 43 H ASP 43 7.775 -5.909 5.184 287 HA ASP 43 HA ASP 43 9.673 -3.729 5.002 288 1HB ASP 43 2HB ASP 43 9.031 -4.801 7.169 289 2HB ASP 43 1HB ASP 43 9.870 -6.261 6.680 290 H GLU 44 H GLU 44 10.850 -3.677 3.379 291 HA GLU 44 HA GLU 44 12.168 -5.936 2.107 292 1HB GLU 44 2HB GLU 44 12.964 -4.195 0.491 293 2HB GLU 44 1HB GLU 44 11.229 -4.183 0.699 294 1HG GLU 44 2HG GLU 44 13.152 -2.274 2.087 295 2HG GLU 44 1HG GLU 44 12.269 -1.909 0.624 296 H CYS 45 H CYS 45 13.065 -3.687 4.650 297 HA CYS 45 HA CYS 45 15.802 -3.494 4.097 298 1HB CYS 45 2HB CYS 45 14.305 -3.469 6.717 299 2HB CYS 45 1HB CYS 45 15.994 -3.210 6.602 300 H GLN 46 H GLN 46 14.144 -5.519 6.349 301 HA GLN 46 HA GLN 46 16.010 -7.179 7.405 302 1HB GLN 46 2HB GLN 46 13.249 -7.920 6.388 303 2HB GLN 46 1HB GLN 46 14.177 -8.898 7.491 304 1HG GLN 46 2HG GLN 46 13.292 -6.023 8.004 305 2HG GLN 46 1HG GLN 46 12.516 -7.435 8.698 306 1HE2 GLN 46 1HE2 GLN 46 14.986 -5.124 9.151 307 2HE2 GLN 46 2HE2 GLN 46 15.782 -5.876 10.449 308 H ASP 47 H ASP 47 14.600 -7.576 4.232 309 HA ASP 47 HA ASP 47 15.974 -10.007 3.675 310 1HB ASP 47 2HB ASP 47 13.789 -9.513 2.625 311 2HB ASP 47 1HB ASP 47 14.471 -8.105 1.829 312 HA PRO 48 HA PRO 48 19.738 -7.949 2.381 313 1HB PRO 48 2HB PRO 48 21.015 -10.033 1.184 314 2HB PRO 48 1HB PRO 48 20.784 -9.972 2.915 315 1HG PRO 48 2HG PRO 48 19.135 -11.427 0.880 316 2HG PRO 48 1HG PRO 48 19.772 -12.014 2.428 317 1HD PRO 48 2HD PRO 48 17.230 -11.188 2.147 318 2HD PRO 48 1HD PRO 48 18.135 -10.959 3.654 319 H ASP 49 H ASP 49 18.491 -6.615 1.009 320 HA ASP 49 HA ASP 49 19.114 -6.975 -1.853 321 1HB ASP 49 2HB ASP 49 16.818 -7.841 -1.583 322 2HB ASP 49 1HB ASP 49 16.362 -6.388 -0.709 323 H THR 50 H THR 50 18.080 -4.998 0.833 324 HA THR 50 HA THR 50 18.348 -2.469 -0.532 325 HB THR 50 HB THR 50 17.891 -1.611 1.852 326 HG1 THR 50 1HG THR 50 17.861 -4.403 2.353 327 1HG2 THR 50 1HG2 THR 50 15.646 -2.675 2.060 328 2HG2 THR 50 2HG2 THR 50 16.147 -4.006 1.029 329 3HG2 THR 50 3HG2 THR 50 15.954 -2.401 0.355 330 H CYS 51 H CYS 51 19.905 -2.526 2.568 331 HA CYS 51 HA CYS 51 22.421 -1.630 1.335 332 1HB CYS 51 2HB CYS 51 21.775 -2.003 4.219 333 2HB CYS 51 1HB CYS 51 23.036 -1.049 3.522 334 H SER 52 H SER 52 24.412 -2.346 2.798 335 HA SER 52 HA SER 52 24.734 -5.199 2.380 336 1HB SER 52 2HB SER 52 26.515 -3.058 3.658 337 2HB SER 52 1HB SER 52 27.052 -4.687 3.218 338 HG SER 52 HG SER 52 26.140 -2.594 1.578 339 H GLN 53 H GLN 53 24.208 -2.963 5.021 340 HA GLN 53 HA GLN 53 23.591 -5.208 6.879 341 1HB GLN 53 2HB GLN 53 25.357 -2.799 7.449 342 2HB GLN 53 1HB GLN 53 24.713 -3.820 8.721 343 1HG GLN 53 2HG GLN 53 26.455 -4.820 6.422 344 2HG GLN 53 1HG GLN 53 27.040 -4.483 8.041 345 1HE2 GLN 53 1HE2 GLN 53 26.019 -6.981 6.099 346 2HE2 GLN 53 2HE2 GLN 53 25.523 -8.071 7.301 347 H LEU 54 H LEU 54 23.539 -1.988 8.286 348 HA LEU 54 HA LEU 54 20.820 -2.258 8.940 349 1HB LEU 54 2HB LEU 54 22.543 0.214 8.851 350 2HB LEU 54 1HB LEU 54 20.945 0.183 9.526 351 HG LEU 54 HG LEU 54 23.390 -1.255 10.577 352 1HD1 LEU 54 1HD1 LEU 54 23.077 1.201 11.043 353 2HD1 LEU 54 2HD1 LEU 54 22.875 0.249 12.511 354 3HD1 LEU 54 3HD1 LEU 54 21.469 0.857 11.645 355 1HD2 LEU 54 1HD2 LEU 54 21.356 -2.714 10.830 356 2HD2 LEU 54 2HD2 LEU 54 20.512 -1.363 11.577 357 3HD2 LEU 54 3HD2 LEU 54 21.910 -2.085 12.370 358 H CYS 55 H CYS 55 19.265 -0.676 8.742 359 HA CYS 55 HA CYS 55 18.887 0.780 6.228 360 1HB CYS 55 2HB CYS 55 18.510 -1.611 5.589 361 2HB CYS 55 1HB CYS 55 17.338 -1.751 6.834 362 H VAL 56 H VAL 56 16.356 1.384 6.176 363 HA VAL 56 HA VAL 56 15.351 1.933 8.931 364 HB VAL 56 HB VAL 56 15.587 4.018 6.719 365 1HG1 VAL 56 1HG1 VAL 56 13.599 4.365 8.167 366 2HG1 VAL 56 2HG1 VAL 56 14.791 5.619 8.453 367 3HG1 VAL 56 3HG1 VAL 56 14.617 4.295 9.595 368 1HG2 VAL 56 1HG2 VAL 56 17.125 3.808 9.339 369 2HG2 VAL 56 2HG2 VAL 56 17.242 5.145 8.205 370 3HG2 VAL 56 3HG2 VAL 56 17.794 3.548 7.736 371 H ASN 57 H ASN 57 13.769 0.483 8.627 372 HA ASN 57 HA ASN 57 12.040 0.524 6.276 373 1HB ASN 57 2HB ASN 57 12.662 -1.624 7.332 374 2HB ASN 57 1HB ASN 57 11.893 -1.112 8.817 375 1HD2 ASN 57 1HD2 ASN 57 10.001 -2.279 9.031 376 2HD2 ASN 57 2HD2 ASN 57 8.870 -2.518 7.791 377 H LEU 58 H LEU 58 9.882 0.563 6.401 378 HA LEU 58 HA LEU 58 8.081 1.532 8.390 379 1HB LEU 58 2HB LEU 58 7.597 3.826 7.582 380 2HB LEU 58 1HB LEU 58 9.236 3.744 8.129 381 HG LEU 58 HG LEU 58 8.732 3.308 5.169 382 1HD1 LEU 58 1HD1 LEU 58 7.514 5.433 5.808 383 2HD1 LEU 58 2HD1 LEU 58 8.936 5.761 4.834 384 3HD1 LEU 58 3HD1 LEU 58 8.982 6.030 6.570 385 1HD2 LEU 58 1HD2 LEU 58 10.962 4.405 5.095 386 2HD2 LEU 58 2HD2 LEU 58 11.035 3.093 6.256 387 3HD2 LEU 58 3HD2 LEU 58 10.878 4.735 6.818 388 H GLU 59 H GLU 59 6.511 2.954 6.529 389 HA GLU 59 HA GLU 59 5.277 0.691 5.192 390 1HB GLU 59 2HB GLU 59 3.885 2.601 6.129 391 2HB GLU 59 1HB GLU 59 4.598 3.682 4.946 392 1HG GLU 59 2HG GLU 59 3.584 2.339 3.086 393 2HG GLU 59 1HG GLU 59 2.925 1.210 4.247 394 H GLY 60 H GLY 60 6.658 -0.134 3.933 395 1HA GLY 60 2HA GLY 60 7.594 -0.663 1.936 396 2HA GLY 60 1HA GLY 60 6.680 0.689 1.272 397 H GLY 61 H GLY 61 8.102 2.187 3.534 398 1HA GLY 61 2HA GLY 61 10.156 3.263 1.770 399 2HA GLY 61 1HA GLY 61 9.687 3.896 3.340 400 H TYR 62 H TYR 62 11.992 2.769 1.832 401 HA TYR 62 HA TYR 62 13.380 1.512 4.196 402 1HB TYR 62 2HB TYR 62 14.447 -0.188 2.853 403 2HB TYR 62 1HB TYR 62 12.726 -0.202 2.564 404 HD1 TYR 62 1HD TYR 62 11.871 1.148 0.431 405 HD2 TYR 62 2HD TYR 62 15.882 -0.150 1.033 406 HE1 TYR 62 1HE TYR 62 12.305 1.348 -1.964 407 HE2 TYR 62 2HE TYR 62 16.318 0.045 -1.353 408 HH TYR 62 HH TYR 62 15.472 1.154 -3.296 409 H LYS 63 H LYS 63 14.560 3.455 4.702 410 HA LYS 63 HA LYS 63 16.247 4.600 2.554 411 1HB LYS 63 2HB LYS 63 16.378 5.316 5.482 412 2HB LYS 63 1HB LYS 63 16.848 6.205 4.089 413 1HG LYS 63 2HG LYS 63 14.601 6.577 3.297 414 2HG LYS 63 1HG LYS 63 13.947 5.559 4.561 415 1HD LYS 63 2HD LYS 63 13.648 7.928 5.156 416 2HD LYS 63 1HD LYS 63 14.749 7.167 6.284 417 1HE LYS 63 2HE LYS 63 16.693 8.138 5.048 418 2HE LYS 63 1HE LYS 63 15.586 8.884 3.901 419 1HZ LYS 63 1HZ LYS 63 15.004 10.457 5.358 420 2HZ LYS 63 2HZ LYS 63 16.502 10.083 6.068 421 3HZ LYS 63 3HZ LYS 63 15.072 9.421 6.701 422 H CYS 64 H CYS 64 18.464 4.409 2.673 423 HA CYS 64 HA CYS 64 19.374 1.980 4.068 424 1HB CYS 64 2HB CYS 64 19.882 2.243 1.731 425 2HB CYS 64 1HB CYS 64 20.853 3.666 2.074 426 H GLN 65 H GLN 65 21.169 1.685 5.005 427 HA GLN 65 HA GLN 65 22.979 3.628 6.222 428 1HB GLN 65 2HB GLN 65 21.331 1.862 8.078 429 2HB GLN 65 1HB GLN 65 22.511 3.050 8.544 430 1HG GLN 65 2HG GLN 65 21.096 4.899 7.750 431 2HG GLN 65 1HG GLN 65 19.857 3.747 7.262 432 1HE2 GLN 65 1HE2 GLN 65 19.525 2.012 9.257 433 2HE2 GLN 65 2HE2 GLN 65 19.200 2.777 10.737 434 H CYS 66 H CYS 66 24.105 2.002 8.102 435 HA CYS 66 HA CYS 66 24.491 -0.688 7.195 436 1HB CYS 66 2HB CYS 66 26.410 1.517 6.686 437 2HB CYS 66 1HB CYS 66 27.004 -0.055 7.028 438 H GLU 67 H GLU 67 26.680 -1.432 8.291 439 HA GLU 67 HA GLU 67 26.171 -1.365 11.149 440 1HB GLU 67 2HB GLU 67 26.754 -3.372 9.762 441 2HB GLU 67 1HB GLU 67 28.348 -2.714 9.523 442 1HG GLU 67 2HG GLU 67 28.781 -2.847 12.000 443 2HG GLU 67 1HG GLU 67 27.177 -3.526 12.210 444 H GLU 68 H GLU 68 26.764 1.154 10.631 445 HA GLU 68 HA GLU 68 28.024 2.963 11.224 446 1HB GLU 68 2HB GLU 68 29.356 0.881 12.989 447 2HB GLU 68 1HB GLU 68 29.637 2.594 13.135 448 1HG GLU 68 2HG GLU 68 27.166 2.923 13.541 449 2HG GLU 68 1HG GLU 68 26.913 1.195 13.358 450 H GLY 69 H GLY 69 30.592 0.631 11.450 451 1HA GLY 69 2HA GLY 69 32.734 2.120 10.581 452 2HA GLY 69 1HA GLY 69 32.657 0.369 10.484 453 H PHE 70 H PHE 70 30.188 0.881 8.643 454 HA PHE 70 HA PHE 70 31.678 0.591 6.260 455 1HB PHE 70 2HB PHE 70 28.769 1.065 6.794 456 2HB PHE 70 1HB PHE 70 29.380 0.747 5.185 457 HD1 PHE 70 1HD PHE 70 30.892 -1.106 8.042 458 HD2 PHE 70 2HD PHE 70 27.934 -1.240 4.977 459 HE1 PHE 70 1HE PHE 70 30.669 -3.496 8.372 460 HE2 PHE 70 2HE PHE 70 27.726 -3.638 5.318 461 HZ PHE 70 HZ PHE 70 29.087 -4.786 7.008 462 H GLN 71 H GLN 71 31.619 1.949 4.415 463 HA GLN 71 HA GLN 71 31.212 4.830 4.939 464 1HB GLN 71 2HB GLN 71 33.536 3.311 3.817 465 2HB GLN 71 1HB GLN 71 33.216 4.861 3.113 466 1HG GLN 71 2HG GLN 71 33.546 4.378 6.114 467 2HG GLN 71 1HG GLN 71 34.814 5.006 5.062 468 1HE2 GLN 71 1HE2 GLN 71 33.925 6.612 7.170 469 2HE2 GLN 71 2HE2 GLN 71 33.032 7.922 6.565 470 H LEU 72 H LEU 72 31.517 6.035 2.814 471 HA LEU 72 HA LEU 72 29.225 5.178 1.185 472 1HB LEU 72 2HB LEU 72 29.612 7.589 1.700 473 2HB LEU 72 1HB LEU 72 31.101 7.542 0.778 474 HG LEU 72 HG LEU 72 29.753 6.795 -1.245 475 1HD1 LEU 72 1HD1 LEU 72 27.298 7.094 -1.230 476 2HD1 LEU 72 2HD1 LEU 72 27.340 7.434 0.491 477 3HD1 LEU 72 3HD1 LEU 72 27.772 5.842 -0.106 478 1HD2 LEU 72 1HD2 LEU 72 28.785 9.045 -1.692 479 2HD2 LEU 72 2HD2 LEU 72 30.362 9.178 -0.929 480 3HD2 LEU 72 3HD2 LEU 72 28.903 9.435 0.019 481 H ASP 73 H ASP 73 29.670 3.485 0.045 482 HA ASP 73 HA ASP 73 32.138 2.893 -1.321 483 1HB ASP 73 2HB ASP 73 30.564 1.135 -0.538 484 2HB ASP 73 1HB ASP 73 29.339 1.716 -1.641 485 HA PRO 74 HA PRO 74 30.994 5.632 -4.742 486 1HB PRO 74 2HB PRO 74 33.265 5.483 -6.169 487 2HB PRO 74 1HB PRO 74 33.222 6.330 -4.640 488 1HG PRO 74 2HG PRO 74 34.155 3.538 -5.180 489 2HG PRO 74 1HG PRO 74 34.929 4.830 -4.244 490 1HD PRO 74 2HD PRO 74 33.507 2.844 -3.076 491 2HD PRO 74 1HD PRO 74 33.602 4.478 -2.396 492 H HIS 75 H HIS 75 30.754 5.466 -7.010 493 HA HIS 75 HA HIS 75 29.919 4.467 -8.944 494 1HB HIS 75 2HB HIS 75 31.845 2.247 -8.132 495 2HB HIS 75 1HB HIS 75 31.116 2.433 -9.722 496 HD1 HIS 75 1HD HIS 75 33.720 3.930 -7.582 497 HD2 HIS 75 2HD HIS 75 32.097 4.642 -11.260 498 HE1 HIS 75 1HE HIS 75 35.207 5.554 -8.697 499 H THR 76 H THR 76 29.132 3.492 -6.087 500 HA THR 76 HA THR 76 27.023 1.572 -6.941 501 HB THR 76 HB THR 76 27.390 0.360 -4.728 502 HG1 THR 76 1HG THR 76 29.802 1.793 -4.626 503 1HG2 THR 76 1HG2 THR 76 30.012 0.563 -6.347 504 2HG2 THR 76 2HG2 THR 76 28.691 -0.496 -6.807 505 3HG2 THR 76 3HG2 THR 76 29.554 -0.767 -5.301 506 H LYS 77 H LYS 77 28.275 3.812 -4.723 507 HA LYS 77 HA LYS 77 27.396 5.540 -3.434 508 1HB LYS 77 2HB LYS 77 24.889 4.827 -4.751 509 2HB LYS 77 1HB LYS 77 25.104 6.259 -3.782 510 1HG LYS 77 2HG LYS 77 26.968 6.974 -5.345 511 2HG LYS 77 1HG LYS 77 26.662 5.565 -6.335 512 1HD LYS 77 2HD LYS 77 25.592 7.514 -7.343 513 2HD LYS 77 1HD LYS 77 24.362 6.388 -6.809 514 1HE LYS 77 2HE LYS 77 23.986 7.767 -4.757 515 2HE LYS 77 1HE LYS 77 25.251 8.876 -5.278 516 1HZ LYS 77 1HZ LYS 77 23.017 9.633 -5.831 517 2HZ LYS 77 2HZ LYS 77 22.788 8.260 -6.805 518 3HZ LYS 77 3HZ LYS 77 23.975 9.404 -7.216 519 H ALA 78 H ALA 78 26.739 2.389 -3.043 520 HA ALA 78 HA ALA 78 24.849 2.519 -0.771 521 1HB ALA 78 1HB ALA 78 25.189 0.050 -0.758 522 2HB ALA 78 2HB ALA 78 26.484 0.215 -1.933 523 3HB ALA 78 3HB ALA 78 24.832 0.601 -2.386 524 H CYS 79 H CYS 79 26.107 0.654 0.916 525 HA CYS 79 HA CYS 79 28.712 1.843 1.612 526 1HB CYS 79 2HB CYS 79 27.955 1.940 4.043 527 2HB CYS 79 1HB CYS 79 27.324 3.189 3.018 528 H LYS 80 H LYS 80 30.091 0.653 2.585 529 HA LYS 80 HA LYS 80 29.408 -2.028 3.616 530 1HB LYS 80 2HB LYS 80 31.051 -3.080 2.355 531 2HB LYS 80 1HB LYS 80 29.803 -2.459 1.277 532 1HG LYS 80 2HG LYS 80 31.322 -0.394 0.894 533 2HG LYS 80 1HG LYS 80 32.591 -1.266 1.731 534 1HD LYS 80 2HD LYS 80 32.474 -3.087 0.058 535 2HD LYS 80 1HD LYS 80 31.197 -2.232 -0.791 536 1HE LYS 80 2HE LYS 80 32.794 -0.273 -1.086 537 2HE LYS 80 1HE LYS 80 34.049 -1.251 -0.348 538 1HZ LYS 80 1HZ LYS 80 32.714 -1.614 -2.929 539 2HZ LYS 80 2HZ LYS 80 33.409 -2.950 -2.141 540 3HZ LYS 80 3HZ LYS 80 34.374 -1.615 -2.562 541 H ALA 81 H ALA 81 31.269 -2.928 4.798 542 HA ALA 81 HA ALA 81 32.537 -1.387 6.664 543 1HB ALA 81 1HB ALA 81 32.599 -3.844 6.671 544 2HB ALA 81 2HB ALA 81 34.218 -3.196 6.877 545 3HB ALA 81 3HB ALA 81 33.719 -3.836 5.319 546 H VAL 82 H VAL 82 33.760 0.331 6.568 547 HA VAL 82 HA VAL 82 35.079 1.455 4.449 548 HB VAL 82 HB VAL 82 34.768 2.587 6.614 549 1HG1 VAL 82 1HG1 VAL 82 35.308 0.657 8.123 550 2HG1 VAL 82 2HG1 VAL 82 36.242 2.076 8.555 551 3HG1 VAL 82 3HG1 VAL 82 36.992 0.766 7.662 552 1HG2 VAL 82 1HG2 VAL 82 36.952 3.737 6.801 553 2HG2 VAL 82 2HG2 VAL 82 36.506 3.510 5.119 554 3HG2 VAL 82 3HG2 VAL 82 37.717 2.475 5.854 Start of MODEL 24 1 H GLY 1 H GLY 1 -25.549 -7.552 -2.308 2 1HA GLY 1 2HA GLY 1 -22.751 -7.127 -2.679 3 2HA GLY 1 1HA GLY 1 -23.582 -6.793 -4.198 4 H THR 2 H THR 2 -23.992 -6.163 -0.760 5 HA THR 2 HA THR 2 -25.549 -3.884 -0.807 6 HB THR 2 HB THR 2 -23.425 -4.808 1.181 7 HG1 THR 2 1HG THR 2 -24.935 -6.256 1.224 8 1HG2 THR 2 1HG2 THR 2 -24.604 -3.545 2.917 9 2HG2 THR 2 2HG2 THR 2 -25.726 -2.882 1.735 10 3HG2 THR 2 3HG2 THR 2 -24.033 -2.412 1.723 11 H ASN 3 H ASN 3 -24.783 -1.716 0.086 12 HA ASN 3 HA ASN 3 -22.400 -0.721 -1.410 13 1HB ASN 3 2HB ASN 3 -24.732 -0.167 -2.249 14 2HB ASN 3 1HB ASN 3 -24.994 0.726 -0.773 15 1HD2 ASN 3 1HD2 ASN 3 -25.190 2.252 -2.991 16 2HD2 ASN 3 2HD2 ASN 3 -23.827 3.245 -3.191 17 H GLU 4 H GLU 4 -21.563 -1.546 0.793 18 HA GLU 4 HA GLU 4 -22.105 -0.247 3.240 19 1HB GLU 4 2HB GLU 4 -19.322 -1.195 2.550 20 2HB GLU 4 1HB GLU 4 -20.147 -1.188 4.082 21 1HG GLU 4 2HG GLU 4 -20.032 -3.472 3.517 22 2HG GLU 4 1HG GLU 4 -21.687 -3.015 3.146 23 H CYS 5 H CYS 5 -20.631 0.984 0.468 24 HA CYS 5 HA CYS 5 -18.615 2.612 1.512 25 1HB CYS 5 2HB CYS 5 -20.403 2.993 -0.901 26 2HB CYS 5 1HB CYS 5 -18.921 3.854 -0.637 27 H LEU 6 H LEU 6 -21.955 3.035 1.006 28 HA LEU 6 HA LEU 6 -22.444 5.713 1.458 29 1HB LEU 6 2HB LEU 6 -24.104 3.350 2.363 30 2HB LEU 6 1HB LEU 6 -24.693 4.971 2.112 31 HG LEU 6 HG LEU 6 -23.483 3.128 -0.004 32 1HD1 LEU 6 1HD1 LEU 6 -25.757 2.478 0.728 33 2HD1 LEU 6 2HD1 LEU 6 -25.823 3.106 -0.911 34 3HD1 LEU 6 3HD1 LEU 6 -26.338 4.111 0.434 35 1HD2 LEU 6 1HD2 LEU 6 -24.187 4.857 -1.672 36 2HD2 LEU 6 2HD2 LEU 6 -23.021 5.533 -0.556 37 3HD2 LEU 6 3HD2 LEU 6 -24.728 5.904 -0.372 38 H ASP 7 H ASP 7 -22.150 3.089 3.712 39 HA ASP 7 HA ASP 7 -22.187 4.896 6.103 40 1HB ASP 7 2HB ASP 7 -23.752 2.850 5.905 41 2HB ASP 7 1HB ASP 7 -22.305 1.861 5.870 42 H ASN 8 H ASN 8 -20.662 3.142 7.636 43 HA ASN 8 HA ASN 8 -18.075 4.008 7.315 44 1HB ASN 8 2HB ASN 8 -19.173 1.567 8.483 45 2HB ASN 8 1HB ASN 8 -17.512 2.005 8.785 46 1HD2 ASN 8 1HD2 ASN 8 -20.841 3.419 9.060 47 2HD2 ASN 8 2HD2 ASN 8 -20.503 4.290 10.475 48 H ASN 9 H ASN 9 -16.508 3.485 5.741 49 HA ASN 9 HA ASN 9 -17.000 2.016 3.494 50 1HB ASN 9 2HB ASN 9 -14.349 2.518 4.886 51 2HB ASN 9 1HB ASN 9 -14.482 1.924 3.251 52 1HD2 ASN 9 1HD2 ASN 9 -16.818 4.314 4.428 53 2HD2 ASN 9 2HD2 ASN 9 -16.211 5.595 3.501 54 H GLY 10 H GLY 10 -18.031 0.104 3.945 55 1HA GLY 10 2HA GLY 10 -18.088 -2.231 4.009 56 2HA GLY 10 1HA GLY 10 -16.345 -2.194 4.092 57 H GLY 11 H GLY 11 -16.931 -0.218 6.435 58 1HA GLY 11 2HA GLY 11 -18.142 -0.862 8.656 59 2HA GLY 11 1HA GLY 11 -16.997 -2.212 8.618 60 H CYS 12 H CYS 12 -15.877 0.660 7.106 61 HA CYS 12 HA CYS 12 -14.508 1.678 9.486 62 1HB CYS 12 2HB CYS 12 -13.331 0.695 6.900 63 2HB CYS 12 1HB CYS 12 -12.480 1.622 8.070 64 H SER 13 H SER 13 -12.877 3.038 7.135 65 HA SER 13 HA SER 13 -14.768 4.744 5.830 66 1HB SER 13 2HB SER 13 -14.152 6.852 7.070 67 2HB SER 13 1HB SER 13 -14.899 5.676 8.159 68 HG SER 13 HG SER 13 -12.109 6.007 7.713 69 H HIS 14 H HIS 14 -12.592 3.080 5.329 70 HA HIS 14 HA HIS 14 -10.580 4.871 4.093 71 1HB HIS 14 2HB HIS 14 -10.422 2.018 5.122 72 2HB HIS 14 1HB HIS 14 -9.169 2.788 4.195 73 HD1 HIS 14 1HD HIS 14 -7.580 4.054 5.618 74 HD2 HIS 14 2HD HIS 14 -11.104 3.581 7.612 75 HE1 HIS 14 1HE HIS 14 -7.230 4.998 7.880 76 H VAL 15 H VAL 15 -11.407 1.508 3.481 77 HA VAL 15 HA VAL 15 -12.238 2.220 0.704 78 HB VAL 15 HB VAL 15 -10.370 -0.029 1.506 79 1HG1 VAL 15 1HG1 VAL 15 -11.414 0.773 -1.261 80 2HG1 VAL 15 2HG1 VAL 15 -11.857 -0.686 -0.397 81 3HG1 VAL 15 3HG1 VAL 15 -10.215 -0.474 -0.967 82 1HG2 VAL 15 1HG2 VAL 15 -9.850 2.474 -0.141 83 2HG2 VAL 15 2HG2 VAL 15 -8.703 1.172 0.127 84 3HG2 VAL 15 3HG2 VAL 15 -9.234 2.163 1.476 85 H CYS 16 H CYS 16 -14.181 1.593 0.413 86 HA CYS 16 HA CYS 16 -15.408 -0.624 1.915 87 1HB CYS 16 2HB CYS 16 -17.449 0.271 0.863 88 2HB CYS 16 1HB CYS 16 -16.554 1.548 1.632 89 H ASN 17 H ASN 17 -13.980 -2.242 0.925 90 HA ASN 17 HA ASN 17 -14.239 -2.574 -2.014 91 1HB ASN 17 2HB ASN 17 -12.060 -2.717 -1.205 92 2HB ASN 17 1HB ASN 17 -12.453 -3.720 0.149 93 1HD2 ASN 17 1HD2 ASN 17 -11.985 -5.898 -0.231 94 2HD2 ASN 17 2HD2 ASN 17 -11.839 -6.624 -1.754 95 H ASP 18 H ASP 18 -16.169 -3.046 -2.175 96 HA ASP 18 HA ASP 18 -17.893 -4.723 -0.774 97 1HB ASP 18 2HB ASP 18 -18.557 -3.066 -2.529 98 2HB ASP 18 1HB ASP 18 -17.979 -4.166 -3.758 99 H LEU 19 H LEU 19 -16.843 -6.592 -0.207 100 HA LEU 19 HA LEU 19 -15.855 -8.556 -2.009 101 1HB LEU 19 2HB LEU 19 -15.484 -8.134 0.577 102 2HB LEU 19 1HB LEU 19 -16.998 -8.971 0.760 103 HG LEU 19 HG LEU 19 -16.060 -10.985 -0.374 104 1HD1 LEU 19 1HD1 LEU 19 -13.506 -9.343 -0.147 105 2HD1 LEU 19 2HD1 LEU 19 -14.292 -9.738 -1.663 106 3HD1 LEU 19 3HD1 LEU 19 -13.592 -11.017 -0.688 107 1HD2 LEU 19 1HD2 LEU 19 -14.720 -11.624 1.605 108 2HD2 LEU 19 2HD2 LEU 19 -16.142 -10.707 2.054 109 3HD2 LEU 19 3HD2 LEU 19 -14.572 -9.926 2.048 110 H LYS 20 H LYS 20 -16.958 -10.828 -1.957 111 HA LYS 20 HA LYS 20 -19.642 -10.509 -3.012 112 1HB LYS 20 2HB LYS 20 -19.511 -12.969 -3.350 113 2HB LYS 20 1HB LYS 20 -18.059 -12.167 -3.912 114 1HG LYS 20 2HG LYS 20 -16.884 -12.827 -1.782 115 2HG LYS 20 1HG LYS 20 -18.336 -13.647 -1.251 116 1HD LYS 20 2HD LYS 20 -16.796 -15.286 -2.179 117 2HD LYS 20 1HD LYS 20 -18.237 -15.188 -3.167 118 1HE LYS 20 2HE LYS 20 -16.183 -15.284 -4.561 119 2HE LYS 20 1HE LYS 20 -17.018 -13.766 -4.825 120 1HZ LYS 20 1HZ LYS 20 -14.768 -14.136 -2.931 121 2HZ LYS 20 2HZ LYS 20 -15.505 -12.667 -3.363 122 3HZ LYS 20 3HZ LYS 20 -14.609 -13.539 -4.514 123 H ILE 21 H ILE 21 -18.198 -11.940 -0.107 124 HA ILE 21 HA ILE 21 -20.662 -11.519 1.435 125 HB ILE 21 HB ILE 21 -19.150 -14.159 1.165 126 1HG1 ILE 21 2HG1 ILE 21 -22.028 -13.465 0.394 127 2HG1 ILE 21 1HG1 ILE 21 -20.718 -13.755 -0.732 128 1HG2 ILE 21 1HG2 ILE 21 -21.503 -13.412 2.945 129 2HG2 ILE 21 2HG2 ILE 21 -19.861 -13.729 3.490 130 3HG2 ILE 21 3HG2 ILE 21 -20.817 -15.030 2.814 131 1HD1 ILE 21 1HD1 ILE 21 -20.498 -16.082 0.054 132 2HD1 ILE 21 2HD1 ILE 21 -22.116 -15.753 -0.542 133 3HD1 ILE 21 3HD1 ILE 21 -21.824 -15.844 1.183 134 H GLY 22 H GLY 22 -19.889 -10.240 3.051 135 1HA GLY 22 2HA GLY 22 -18.750 -9.817 5.046 136 2HA GLY 22 1HA GLY 22 -17.616 -11.073 4.614 137 H TYR 23 H TYR 23 -18.740 -8.142 3.228 138 HA TYR 23 HA TYR 23 -16.884 -7.048 1.640 139 1HB TYR 23 2HB TYR 23 -18.195 -5.383 3.767 140 2HB TYR 23 1HB TYR 23 -17.692 -4.884 2.167 141 HD1 TYR 23 1HD TYR 23 -20.422 -6.058 4.023 142 HD2 TYR 23 2HD TYR 23 -18.705 -6.360 0.157 143 HE1 TYR 23 1HE TYR 23 -22.587 -6.789 3.118 144 HE2 TYR 23 2HE TYR 23 -20.858 -7.089 -0.756 145 HH TYR 23 HH TYR 23 -23.109 -7.169 -0.316 146 H GLU 24 H GLU 24 -15.262 -5.450 1.737 147 HA GLU 24 HA GLU 24 -13.487 -5.756 4.065 148 1HB GLU 24 2HB GLU 24 -12.949 -5.208 1.208 149 2HB GLU 24 1HB GLU 24 -11.711 -5.278 2.419 150 1HG GLU 24 2HG GLU 24 -13.591 -7.503 1.562 151 2HG GLU 24 1HG GLU 24 -11.878 -7.399 1.189 152 H CYS 25 H CYS 25 -12.113 -4.427 4.573 153 HA CYS 25 HA CYS 25 -12.528 -1.560 4.472 154 1HB CYS 25 2HB CYS 25 -13.196 -2.450 6.626 155 2HB CYS 25 1HB CYS 25 -11.808 -3.491 6.693 156 H LEU 26 H LEU 26 -10.965 -2.091 2.501 157 HA LEU 26 HA LEU 26 -8.272 -2.885 3.198 158 1HB LEU 26 2HB LEU 26 -9.091 -1.439 0.662 159 2HB LEU 26 1HB LEU 26 -7.762 -2.505 0.934 160 HG LEU 26 HG LEU 26 -10.630 -3.423 0.976 161 1HD1 LEU 26 1HD1 LEU 26 -8.421 -3.897 -1.070 162 2HD1 LEU 26 2HD1 LEU 26 -9.851 -2.910 -1.316 163 3HD1 LEU 26 3HD1 LEU 26 -9.996 -4.645 -1.113 164 1HD2 LEU 26 1HD2 LEU 26 -9.263 -4.785 2.505 165 2HD2 LEU 26 2HD2 LEU 26 -8.088 -5.064 1.227 166 3HD2 LEU 26 3HD2 LEU 26 -9.718 -5.709 1.091 167 H CYS 27 H CYS 27 -6.641 -1.263 1.935 168 HA CYS 27 HA CYS 27 -6.563 1.112 3.653 169 1HB CYS 27 2HB CYS 27 -4.469 -0.306 2.058 170 2HB CYS 27 1HB CYS 27 -4.184 1.047 3.121 171 HA PRO 28 HA PRO 28 -7.469 3.928 0.271 172 1HB PRO 28 2HB PRO 28 -5.863 5.867 1.853 173 2HB PRO 28 1HB PRO 28 -7.501 5.971 1.290 174 1HG PRO 28 2HG PRO 28 -7.036 5.546 3.834 175 2HG PRO 28 1HG PRO 28 -8.340 4.653 3.022 176 1HD PRO 28 2HD PRO 28 -5.554 3.739 3.662 177 2HD PRO 28 1HD PRO 28 -7.112 2.923 3.929 178 H ASP 29 H ASP 29 -4.298 4.371 1.683 179 HA ASP 29 HA ASP 29 -3.067 5.329 -0.761 180 1HB ASP 29 2HB ASP 29 -1.078 5.538 0.642 181 2HB ASP 29 1HB ASP 29 -2.467 6.143 1.511 182 H GLY 30 H GLY 30 -0.725 4.446 -1.008 183 1HA GLY 30 2HA GLY 30 -0.676 2.258 -2.625 184 2HA GLY 30 1HA GLY 30 0.733 2.794 -1.731 185 H PHE 31 H PHE 31 -0.195 2.172 0.870 186 HA PHE 31 HA PHE 31 0.681 -0.441 1.196 187 1HB PHE 31 2HB PHE 31 -1.151 1.214 2.946 188 2HB PHE 31 1HB PHE 31 -0.446 -0.292 3.443 189 HD1 PHE 31 1HD PHE 31 0.388 1.406 5.288 190 HD2 PHE 31 2HD PHE 31 1.916 1.316 1.302 191 HE1 PHE 31 1HE PHE 31 2.467 2.469 6.032 192 HE2 PHE 31 2HE PHE 31 3.951 2.365 2.054 193 HZ PHE 31 HZ PHE 31 4.263 2.930 4.377 194 H GLN 32 H GLN 32 -0.268 -2.153 2.166 195 HA GLN 32 HA GLN 32 -2.860 -3.007 0.931 196 1HB GLN 32 2HB GLN 32 -0.828 -4.200 0.099 197 2HB GLN 32 1HB GLN 32 -0.413 -4.646 1.739 198 1HG GLN 32 2HG GLN 32 -2.544 -5.970 1.909 199 2HG GLN 32 1HG GLN 32 -2.932 -5.526 0.250 200 1HE2 GLN 32 1HE2 GLN 32 -1.890 -6.707 -1.428 201 2HE2 GLN 32 2HE2 GLN 32 -0.775 -7.953 -1.132 202 H LEU 33 H LEU 33 -4.174 -4.412 2.218 203 HA LEU 33 HA LEU 33 -4.135 -3.691 5.078 204 1HB LEU 33 2HB LEU 33 -6.248 -3.942 3.491 205 2HB LEU 33 1HB LEU 33 -6.007 -5.665 3.645 206 HG LEU 33 HG LEU 33 -6.151 -5.359 6.186 207 1HD1 LEU 33 1HD1 LEU 33 -5.613 -2.906 6.218 208 2HD1 LEU 33 2HD1 LEU 33 -7.172 -3.181 6.955 209 3HD1 LEU 33 3HD1 LEU 33 -7.078 -2.580 5.320 210 1HD2 LEU 33 1HD2 LEU 33 -8.585 -4.523 4.554 211 2HD2 LEU 33 2HD2 LEU 33 -8.628 -5.159 6.186 212 3HD2 LEU 33 3HD2 LEU 33 -8.090 -6.177 4.860 213 H VAL 34 H VAL 34 -2.244 -4.683 5.704 214 HA VAL 34 HA VAL 34 -1.574 -7.421 5.014 215 HB VAL 34 HB VAL 34 -0.269 -5.429 6.898 216 1HG1 VAL 34 1HG1 VAL 34 1.744 -6.883 6.741 217 2HG1 VAL 34 2HG1 VAL 34 0.839 -8.057 5.795 218 3HG1 VAL 34 3HG1 VAL 34 0.421 -7.764 7.475 219 1HG2 VAL 34 1HG2 VAL 34 1.333 -5.135 5.011 220 2HG2 VAL 34 2HG2 VAL 34 -0.295 -4.717 4.522 221 3HG2 VAL 34 3HG2 VAL 34 0.397 -6.252 4.034 222 H ALA 35 H ALA 35 -1.550 -6.189 8.337 223 HA ALA 35 HA ALA 35 -2.123 -8.802 9.318 224 1HB ALA 35 1HB ALA 35 -1.853 -7.740 11.567 225 2HB ALA 35 2HB ALA 35 -1.741 -6.176 10.792 226 3HB ALA 35 3HB ALA 35 -0.525 -7.394 10.474 227 H GLN 36 H GLN 36 -4.236 -8.473 8.005 228 HA GLN 36 HA GLN 36 -6.514 -8.804 8.029 229 1HB GLN 36 2HB GLN 36 -6.329 -8.320 11.036 230 2HB GLN 36 1HB GLN 36 -7.728 -8.935 10.191 231 1HG GLN 36 2HG GLN 36 -6.444 -10.910 9.424 232 2HG GLN 36 1HG GLN 36 -5.002 -10.306 10.231 233 1HE2 GLN 36 1HE2 GLN 36 -5.008 -10.254 12.601 234 2HE2 GLN 36 2HE2 GLN 36 -6.107 -11.203 13.483 235 H ARG 37 H ARG 37 -5.615 -6.032 10.052 236 HA ARG 37 HA ARG 37 -7.483 -4.360 8.521 237 1HB ARG 37 2HB ARG 37 -8.549 -3.380 10.484 238 2HB ARG 37 1HB ARG 37 -8.833 -5.096 10.441 239 1HG ARG 37 2HG ARG 37 -6.798 -3.706 12.233 240 2HG ARG 37 1HG ARG 37 -8.369 -4.300 12.733 241 1HD ARG 37 2HD ARG 37 -7.663 -6.602 12.018 242 2HD ARG 37 1HD ARG 37 -6.050 -5.942 11.727 243 HE ARG 37 HE ARG 37 -6.437 -5.121 14.261 244 1HH1 ARG 37 2HH1 ARG 37 -6.889 -8.203 12.730 245 2HH1 ARG 37 1HH1 ARG 37 -6.526 -9.094 14.165 246 1HH2 ARG 37 1HH2 ARG 37 -5.983 -6.236 16.090 247 2HH2 ARG 37 2HH2 ARG 37 -6.009 -7.969 16.095 248 H ARG 38 H ARG 38 -4.541 -4.751 9.062 249 HA ARG 38 HA ARG 38 -3.802 -1.994 9.964 250 1HB ARG 38 2HB ARG 38 -2.897 -3.959 11.260 251 2HB ARG 38 1HB ARG 38 -2.106 -4.488 9.783 252 1HG ARG 38 2HG ARG 38 -0.796 -2.388 9.686 253 2HG ARG 38 1HG ARG 38 -1.581 -1.820 11.148 254 1HD ARG 38 2HD ARG 38 0.180 -4.309 10.888 255 2HD ARG 38 1HD ARG 38 0.624 -2.822 11.712 256 HE ARG 38 HE ARG 38 -1.019 -4.944 12.785 257 1HH1 ARG 38 2HH1 ARG 38 -0.519 -1.515 12.831 258 2HH1 ARG 38 1HH1 ARG 38 -1.203 -1.325 14.411 259 1HH2 ARG 38 1HH2 ARG 38 -1.881 -4.731 14.772 260 2HH2 ARG 38 2HH2 ARG 38 -1.986 -3.177 15.530 261 H CYS 39 H CYS 39 -2.865 -0.678 8.521 262 HA CYS 39 HA CYS 39 -2.451 -1.664 5.766 263 1HB CYS 39 2HB CYS 39 -2.594 1.127 6.900 264 2HB CYS 39 1HB CYS 39 -2.391 0.753 5.201 265 H GLU 40 H GLU 40 -0.566 -2.084 4.967 266 HA GLU 40 HA GLU 40 1.807 -0.490 5.567 267 1HB GLU 40 2HB GLU 40 1.704 -2.067 7.500 268 2HB GLU 40 1HB GLU 40 1.758 -3.417 6.383 269 1HG GLU 40 2HG GLU 40 3.968 -2.600 5.525 270 2HG GLU 40 1HG GLU 40 3.898 -1.261 6.655 271 H ASP 41 H ASP 41 3.461 -0.796 4.086 272 HA ASP 41 HA ASP 41 2.729 -2.128 1.568 273 1HB ASP 41 2HB ASP 41 3.682 0.133 1.483 274 2HB ASP 41 1HB ASP 41 5.110 -0.382 2.342 275 H ILE 42 H ILE 42 4.476 -3.325 0.438 276 HA ILE 42 HA ILE 42 5.317 -5.512 2.010 277 HB ILE 42 HB ILE 42 4.866 -5.746 -0.429 278 1HG1 ILE 42 2HG1 ILE 42 7.806 -6.294 0.225 279 2HG1 ILE 42 1HG1 ILE 42 6.471 -7.344 0.655 280 1HG2 ILE 42 1HG2 ILE 42 7.332 -3.977 -0.857 281 2HG2 ILE 42 2HG2 ILE 42 5.674 -3.500 -1.160 282 3HG2 ILE 42 3HG2 ILE 42 6.410 -4.752 -2.126 283 1HD1 ILE 42 1HD1 ILE 42 7.609 -8.155 -1.379 284 2HD1 ILE 42 2HD1 ILE 42 7.315 -6.637 -2.195 285 3HD1 ILE 42 3HD1 ILE 42 5.964 -7.675 -1.763 286 H ASP 43 H ASP 43 7.311 -5.861 3.038 287 HA ASP 43 HA ASP 43 9.078 -3.489 3.189 288 1HB ASP 43 2HB ASP 43 8.478 -4.793 5.274 289 2HB ASP 43 1HB ASP 43 9.365 -6.168 4.638 290 H GLU 44 H GLU 44 9.845 -3.507 1.215 291 HA GLU 44 HA GLU 44 10.976 -5.699 -0.200 292 1HB GLU 44 2HB GLU 44 11.798 -3.917 -1.742 293 2HB GLU 44 1HB GLU 44 10.106 -3.764 -1.368 294 1HG GLU 44 2HG GLU 44 12.274 -2.108 -0.014 295 2HG GLU 44 1HG GLU 44 11.328 -1.597 -1.395 296 H CYS 45 H CYS 45 12.295 -3.833 2.456 297 HA CYS 45 HA CYS 45 14.992 -3.921 1.629 298 1HB CYS 45 2HB CYS 45 13.757 -3.877 4.377 299 2HB CYS 45 1HB CYS 45 15.438 -3.934 4.150 300 H GLN 46 H GLN 46 13.275 -5.836 3.929 301 HA GLN 46 HA GLN 46 14.934 -7.843 4.678 302 1HB GLN 46 2HB GLN 46 12.004 -8.090 3.933 303 2HB GLN 46 1HB GLN 46 12.873 -9.236 4.910 304 1HG GLN 46 2HG GLN 46 12.407 -6.288 5.574 305 2HG GLN 46 1HG GLN 46 11.575 -7.631 6.332 306 1HE2 GLN 46 1HE2 GLN 46 14.563 -5.816 6.202 307 2HE2 GLN 46 2HE2 GLN 46 15.307 -6.556 7.536 308 H ASP 47 H ASP 47 13.171 -7.753 1.683 309 HA ASP 47 HA ASP 47 13.995 -10.339 0.826 310 1HB ASP 47 2HB ASP 47 11.853 -9.366 0.077 311 2HB ASP 47 1HB ASP 47 12.709 -8.057 -0.720 312 HA PRO 48 HA PRO 48 17.897 -8.835 -0.815 313 1HB PRO 48 2HB PRO 48 18.854 -11.120 -1.848 314 2HB PRO 48 1HB PRO 48 18.618 -10.953 -0.124 315 1HG PRO 48 2HG PRO 48 16.815 -12.275 -2.115 316 2HG PRO 48 1HG PRO 48 17.343 -12.857 -0.526 317 1HD PRO 48 2HD PRO 48 14.936 -11.648 -0.968 318 2HD PRO 48 1HD PRO 48 15.784 -11.620 0.589 319 H ASP 49 H ASP 49 16.520 -7.506 -2.256 320 HA ASP 49 HA ASP 49 17.136 -8.112 -5.087 321 1HB ASP 49 2HB ASP 49 14.799 -8.842 -4.751 322 2HB ASP 49 1HB ASP 49 14.415 -7.299 -4.000 323 H THR 50 H THR 50 16.085 -5.882 -2.613 324 HA THR 50 HA THR 50 16.441 -3.474 -4.116 325 HB THR 50 HB THR 50 16.229 -2.451 -1.748 326 HG1 THR 50 1HG THR 50 15.542 -4.336 -0.317 327 1HG2 THR 50 1HG2 THR 50 14.215 -4.671 -2.403 328 2HG2 THR 50 2HG2 THR 50 14.159 -3.067 -3.119 329 3HG2 THR 50 3HG2 THR 50 13.924 -3.262 -1.391 330 H CYS 51 H CYS 51 18.192 -3.670 -1.086 331 HA CYS 51 HA CYS 51 20.590 -2.577 -2.385 332 1HB CYS 51 2HB CYS 51 19.981 -3.164 0.513 333 2HB CYS 51 1HB CYS 51 21.200 -2.080 -0.109 334 H SER 52 H SER 52 22.814 -3.525 -1.523 335 HA SER 52 HA SER 52 22.951 -6.253 -2.309 336 1HB SER 52 2HB SER 52 24.928 -4.463 -0.824 337 2HB SER 52 1HB SER 52 25.343 -6.001 -1.600 338 HG SER 52 HG SER 52 24.435 -5.123 -3.537 339 H GLN 53 H GLN 53 23.032 -4.669 0.824 340 HA GLN 53 HA GLN 53 22.306 -7.231 2.161 341 1HB GLN 53 2HB GLN 53 24.505 -5.318 2.988 342 2HB GLN 53 1HB GLN 53 23.900 -6.587 4.033 343 1HG GLN 53 2HG GLN 53 25.106 -7.022 1.294 344 2HG GLN 53 1HG GLN 53 25.977 -7.223 2.804 345 1HE2 GLN 53 1HE2 GLN 53 24.418 -9.001 0.474 346 2HE2 GLN 53 2HE2 GLN 53 23.917 -10.324 1.413 347 H LEU 54 H LEU 54 23.149 -4.515 4.175 348 HA LEU 54 HA LEU 54 20.556 -4.489 5.287 349 1HB LEU 54 2HB LEU 54 22.772 -2.455 5.454 350 2HB LEU 54 1HB LEU 54 21.311 -2.412 6.416 351 HG LEU 54 HG LEU 54 23.529 -4.455 6.556 352 1HD1 LEU 54 1HD1 LEU 54 22.228 -2.483 8.472 353 2HD1 LEU 54 2HD1 LEU 54 23.758 -2.216 7.676 354 3HD1 LEU 54 3HD1 LEU 54 23.603 -3.513 8.860 355 1HD2 LEU 54 1HD2 LEU 54 22.157 -5.531 8.321 356 2HD2 LEU 54 2HD2 LEU 54 21.277 -5.588 6.806 357 3HD2 LEU 54 3HD2 LEU 54 20.847 -4.394 8.023 358 H CYS 55 H CYS 55 19.346 -2.811 5.691 359 HA CYS 55 HA CYS 55 18.944 -0.622 3.782 360 1HB CYS 55 2HB CYS 55 18.158 -2.556 2.497 361 2HB CYS 55 1HB CYS 55 17.156 -3.058 3.792 362 H VAL 56 H VAL 56 16.727 0.390 4.169 363 HA VAL 56 HA VAL 56 15.779 0.177 6.966 364 HB VAL 56 HB VAL 56 17.521 1.934 7.020 365 1HG1 VAL 56 1HG1 VAL 56 17.579 2.611 4.658 366 2HG1 VAL 56 2HG1 VAL 56 17.378 4.001 5.703 367 3HG1 VAL 56 3HG1 VAL 56 16.006 3.381 4.814 368 1HG2 VAL 56 1HG2 VAL 56 14.723 3.126 7.079 369 2HG2 VAL 56 2HG2 VAL 56 16.141 3.839 7.827 370 3HG2 VAL 56 3HG2 VAL 56 15.526 2.300 8.404 371 H ASN 57 H ASN 57 13.830 -0.338 6.649 372 HA ASN 57 HA ASN 57 12.259 0.423 4.306 373 1HB ASN 57 2HB ASN 57 12.218 -1.882 5.212 374 2HB ASN 57 1HB ASN 57 11.590 -1.261 6.723 375 1HD2 ASN 57 1HD2 ASN 57 9.565 -2.274 6.742 376 2HD2 ASN 57 2HD2 ASN 57 8.373 -1.992 5.568 377 H LEU 58 H LEU 58 10.218 1.132 4.436 378 HA LEU 58 HA LEU 58 8.827 2.476 6.528 379 1HB LEU 58 2HB LEU 58 9.167 4.841 5.934 380 2HB LEU 58 1HB LEU 58 10.685 4.143 6.383 381 HG LEU 58 HG LEU 58 9.882 4.480 3.461 382 1HD1 LEU 58 1HD1 LEU 58 10.038 6.703 4.628 383 2HD1 LEU 58 2HD1 LEU 58 11.365 6.478 3.504 384 3HD1 LEU 58 3HD1 LEU 58 11.631 6.269 5.228 385 1HD2 LEU 58 1HD2 LEU 58 12.548 4.028 4.864 386 2HD2 LEU 58 2HD2 LEU 58 12.333 4.247 3.144 387 3HD2 LEU 58 3HD2 LEU 58 11.689 2.826 3.915 388 H GLU 59 H GLU 59 7.788 4.486 4.896 389 HA GLU 59 HA GLU 59 5.825 2.986 3.435 390 1HB GLU 59 2HB GLU 59 5.320 5.188 4.677 391 2HB GLU 59 1HB GLU 59 6.321 6.026 3.512 392 1HG GLU 59 2HG GLU 59 4.654 5.374 1.671 393 2HG GLU 59 1HG GLU 59 3.668 4.604 2.881 394 H GLY 60 H GLY 60 6.935 1.882 2.258 395 1HA GLY 60 2HA GLY 60 7.705 1.093 0.291 396 2HA GLY 60 1HA GLY 60 6.729 2.370 -0.420 397 H GLY 61 H GLY 61 8.767 4.023 1.393 398 1HA GLY 61 2HA GLY 61 10.573 4.733 -0.817 399 2HA GLY 61 1HA GLY 61 10.393 5.592 0.704 400 H TYR 62 H TYR 62 11.021 2.242 0.743 401 HA TYR 62 HA TYR 62 13.078 2.039 2.495 402 1HB TYR 62 2HB TYR 62 13.756 -0.053 1.522 403 2HB TYR 62 1HB TYR 62 12.037 0.136 1.225 404 HD1 TYR 62 1HD TYR 62 11.336 1.170 -1.087 405 HD2 TYR 62 2HD TYR 62 15.215 -0.388 -0.289 406 HE1 TYR 62 1HE TYR 62 11.773 1.009 -3.489 407 HE2 TYR 62 2HE TYR 62 15.651 -0.550 -2.684 408 HH TYR 62 HH TYR 62 13.694 0.938 -5.015 409 H LYS 63 H LYS 63 15.212 2.563 2.738 410 HA LYS 63 HA LYS 63 16.719 3.464 0.337 411 1HB LYS 63 2HB LYS 63 16.994 4.378 3.210 412 2HB LYS 63 1HB LYS 63 17.858 4.958 1.849 413 1HG LYS 63 2HG LYS 63 14.853 5.262 2.265 414 2HG LYS 63 1HG LYS 63 16.021 6.535 2.500 415 1HD LYS 63 2HD LYS 63 15.403 5.199 -0.181 416 2HD LYS 63 1HD LYS 63 14.864 6.780 0.327 417 1HE LYS 63 2HE LYS 63 17.787 5.989 -0.058 418 2HE LYS 63 1HE LYS 63 16.829 6.969 -1.153 419 1HZ LYS 63 1HZ LYS 63 17.673 7.628 1.595 420 2HZ LYS 63 2HZ LYS 63 16.453 8.489 0.784 421 3HZ LYS 63 3HZ LYS 63 18.031 8.453 0.154 422 H CYS 64 H CYS 64 19.029 3.074 0.596 423 HA CYS 64 HA CYS 64 19.509 0.437 1.779 424 1HB CYS 64 2HB CYS 64 21.152 2.172 -0.034 425 2HB CYS 64 1HB CYS 64 21.629 0.595 0.503 426 H GLN 65 H GLN 65 21.471 -0.116 2.625 427 HA GLN 65 HA GLN 65 22.987 1.788 4.349 428 1HB GLN 65 2HB GLN 65 21.661 -0.736 5.320 429 2HB GLN 65 1HB GLN 65 22.689 0.284 6.298 430 1HG GLN 65 2HG GLN 65 21.026 2.163 6.002 431 2HG GLN 65 1HG GLN 65 19.966 1.048 5.151 432 1HE2 GLN 65 1HE2 GLN 65 19.565 2.432 7.794 433 2HE2 GLN 65 2HE2 GLN 65 19.255 1.184 8.901 434 H CYS 66 H CYS 66 24.367 -0.298 5.644 435 HA CYS 66 HA CYS 66 25.590 -1.902 3.488 436 1HB CYS 66 2HB CYS 66 27.058 -0.179 5.400 437 2HB CYS 66 1HB CYS 66 27.729 -1.157 4.235 438 H GLU 67 H GLU 67 26.775 -3.493 4.001 439 HA GLU 67 HA GLU 67 26.304 -4.812 6.616 440 1HB GLU 67 2HB GLU 67 25.996 -5.916 4.376 441 2HB GLU 67 1HB GLU 67 27.706 -5.794 4.073 442 1HG GLU 67 2HG GLU 67 26.413 -7.412 6.316 443 2HG GLU 67 1HG GLU 67 26.984 -8.086 4.810 444 H GLU 68 H GLU 68 27.597 -2.747 7.206 445 HA GLU 68 HA GLU 68 29.471 -1.762 8.093 446 1HB GLU 68 2HB GLU 68 30.295 -4.686 8.289 447 2HB GLU 68 1HB GLU 68 31.161 -3.389 9.066 448 1HG GLU 68 2HG GLU 68 29.572 -4.447 10.652 449 2HG GLU 68 1HG GLU 68 29.098 -2.788 10.354 450 H GLY 69 H GLY 69 31.224 -4.358 6.514 451 1HA GLY 69 2HA GLY 69 33.428 -2.862 5.698 452 2HA GLY 69 1HA GLY 69 33.011 -4.449 5.087 453 H PHE 70 H PHE 70 30.354 -3.021 4.215 454 HA PHE 70 HA PHE 70 31.217 -2.643 1.543 455 1HB PHE 70 2HB PHE 70 28.591 -2.079 2.881 456 2HB PHE 70 1HB PHE 70 28.853 -1.866 1.177 457 HD1 PHE 70 1HD PHE 70 26.884 -3.306 0.880 458 HD2 PHE 70 2HD PHE 70 30.476 -4.760 2.640 459 HE1 PHE 70 1HE PHE 70 26.192 -5.601 0.449 460 HE2 PHE 70 2HE PHE 70 29.774 -7.068 2.209 461 HZ PHE 70 HZ PHE 70 27.621 -7.495 1.102 462 H GLN 71 H GLN 71 30.994 -0.734 0.256 463 HA GLN 71 HA GLN 71 31.067 1.826 1.687 464 1HB GLN 71 2HB GLN 71 32.981 0.627 -0.291 465 2HB GLN 71 1HB GLN 71 32.728 2.332 -0.383 466 1HG GLN 71 2HG GLN 71 33.530 0.861 2.176 467 2HG GLN 71 1HG GLN 71 34.648 1.758 1.148 468 1HE2 GLN 71 1HE2 GLN 71 34.331 2.610 3.786 469 2HE2 GLN 71 2HE2 GLN 71 33.475 4.076 3.830 470 H LEU 72 H LEU 72 31.033 3.593 0.141 471 HA LEU 72 HA LEU 72 28.498 3.337 -1.315 472 1HB LEU 72 2HB LEU 72 29.010 5.370 0.003 473 2HB LEU 72 1HB LEU 72 30.341 5.738 -1.078 474 HG LEU 72 HG LEU 72 28.690 5.800 -3.007 475 1HD1 LEU 72 1HD1 LEU 72 26.272 5.947 -2.517 476 2HD1 LEU 72 2HD1 LEU 72 26.577 5.580 -0.828 477 3HD1 LEU 72 3HD1 LEU 72 26.893 4.376 -2.066 478 1HD2 LEU 72 1HD2 LEU 72 27.693 7.992 -2.372 479 2HD2 LEU 72 2HD2 LEU 72 29.367 7.891 -1.846 480 3HD2 LEU 72 3HD2 LEU 72 28.066 7.674 -0.684 481 H ASP 73 H ASP 73 28.649 2.247 -3.082 482 HA ASP 73 HA ASP 73 30.818 2.395 -5.009 483 1HB ASP 73 2HB ASP 73 29.507 0.336 -4.733 484 2HB ASP 73 1HB ASP 73 28.029 1.161 -5.172 485 HA PRO 74 HA PRO 74 28.946 6.116 -6.789 486 1HB PRO 74 2HB PRO 74 30.813 6.682 -8.648 487 2HB PRO 74 1HB PRO 74 31.135 6.913 -6.944 488 1HG PRO 74 2HG PRO 74 31.897 4.585 -8.668 489 2HG PRO 74 1HG PRO 74 32.884 5.508 -7.521 490 1HD PRO 74 2HD PRO 74 31.778 3.138 -6.870 491 2HD PRO 74 1HD PRO 74 32.007 4.432 -5.683 492 H HIS 75 H HIS 75 28.223 6.813 -8.879 493 HA HIS 75 HA HIS 75 26.985 6.566 -10.833 494 1HB HIS 75 2HB HIS 75 28.823 4.165 -11.288 495 2HB HIS 75 1HB HIS 75 27.836 4.953 -12.511 496 HD1 HIS 75 1HD HIS 75 30.857 5.562 -10.455 497 HD2 HIS 75 2HD HIS 75 28.806 7.453 -13.434 498 HE1 HIS 75 1HE HIS 75 32.296 7.416 -11.219 499 H THR 76 H THR 76 26.772 4.574 -8.389 500 HA THR 76 HA THR 76 24.341 3.151 -9.343 501 HB THR 76 HB THR 76 25.096 1.169 -7.902 502 HG1 THR 76 1HG THR 76 26.963 1.331 -6.900 503 1HG2 THR 76 1HG2 THR 76 26.938 0.351 -9.390 504 2HG2 THR 76 2HG2 THR 76 27.273 1.986 -9.934 505 3HG2 THR 76 3HG2 THR 76 25.783 1.188 -10.414 506 H LYS 77 H LYS 77 26.330 4.323 -6.848 507 HA LYS 77 HA LYS 77 25.999 5.372 -4.805 508 1HB LYS 77 2HB LYS 77 23.230 5.543 -5.735 509 2HB LYS 77 1HB LYS 77 23.857 6.442 -4.377 510 1HG LYS 77 2HG LYS 77 25.586 7.467 -5.904 511 2HG LYS 77 1HG LYS 77 24.854 6.640 -7.265 512 1HD LYS 77 2HD LYS 77 22.715 7.844 -6.855 513 2HD LYS 77 1HD LYS 77 23.450 8.688 -5.503 514 1HE LYS 77 2HE LYS 77 24.394 8.845 -8.402 515 2HE LYS 77 1HE LYS 77 23.510 10.099 -7.545 516 1HZ LYS 77 1HZ LYS 77 26.286 9.262 -7.256 517 2HZ LYS 77 2HZ LYS 77 25.483 9.824 -5.869 518 3HZ LYS 77 3HZ LYS 77 25.611 10.821 -7.239 519 H ALA 78 H ALA 78 25.000 2.404 -5.475 520 HA ALA 78 HA ALA 78 23.451 1.804 -3.029 521 1HB ALA 78 1HB ALA 78 23.478 -0.519 -3.932 522 2HB ALA 78 2HB ALA 78 24.607 -0.025 -5.188 523 3HB ALA 78 3HB ALA 78 22.968 0.609 -5.182 524 H CYS 79 H CYS 79 24.382 0.039 -1.533 525 HA CYS 79 HA CYS 79 27.311 0.585 -1.212 526 1HB CYS 79 2HB CYS 79 25.553 0.845 0.768 527 2HB CYS 79 1HB CYS 79 25.713 -0.899 0.842 528 H LYS 80 H LYS 80 28.749 -1.073 -1.039 529 HA LYS 80 HA LYS 80 27.894 -3.871 -1.126 530 1HB LYS 80 2HB LYS 80 29.037 -4.413 -3.074 531 2HB LYS 80 1HB LYS 80 27.662 -3.381 -3.463 532 1HG LYS 80 2HG LYS 80 29.253 -1.385 -3.525 533 2HG LYS 80 1HG LYS 80 30.603 -2.488 -3.361 534 1HD LYS 80 2HD LYS 80 28.617 -2.488 -5.663 535 2HD LYS 80 1HD LYS 80 30.250 -1.855 -5.720 536 1HE LYS 80 2HE LYS 80 31.159 -4.126 -5.247 537 2HE LYS 80 1HE LYS 80 29.523 -4.774 -5.212 538 1HZ LYS 80 1HZ LYS 80 30.743 -4.997 -7.354 539 2HZ LYS 80 2HZ LYS 80 30.605 -3.314 -7.536 540 3HZ LYS 80 3HZ LYS 80 29.208 -4.276 -7.457 541 H ALA 81 H ALA 81 29.781 -5.290 -0.855 542 HA ALA 81 HA ALA 81 31.728 -4.697 0.959 543 1HB ALA 81 1HB ALA 81 32.085 -6.511 -1.450 544 2HB ALA 81 2HB ALA 81 31.340 -6.955 0.077 545 3HB ALA 81 3HB ALA 81 33.052 -6.572 0.016 546 H VAL 82 H VAL 82 33.181 -3.149 1.122 547 HA VAL 82 HA VAL 82 34.101 -1.427 -0.807 548 HB VAL 82 HB VAL 82 34.478 -1.127 1.615 549 1HG1 VAL 82 1HG1 VAL 82 36.611 -3.298 1.328 550 2HG1 VAL 82 2HG1 VAL 82 35.100 -3.487 2.188 551 3HG1 VAL 82 3HG1 VAL 82 36.302 -2.357 2.777 552 1HG2 VAL 82 1HG2 VAL 82 35.894 0.187 0.075 553 2HG2 VAL 82 2HG2 VAL 82 37.093 -1.094 0.050 554 3HG2 VAL 82 3HG2 VAL 82 36.781 -0.215 1.535 Start of MODEL 25 1 H GLY 1 H GLY 1 -25.600 0.401 -4.406 2 1HA GLY 1 2HA GLY 1 -23.223 -0.801 -3.658 3 2HA GLY 1 1HA GLY 1 -22.733 0.802 -4.210 4 H THR 2 H THR 2 -23.671 -0.937 -1.568 5 HA THR 2 HA THR 2 -25.318 0.774 -0.103 6 HB THR 2 HB THR 2 -23.295 -1.358 0.810 7 HG1 THR 2 1HG THR 2 -24.773 -2.438 -0.166 8 1HG2 THR 2 1HG2 THR 2 -24.077 0.060 2.802 9 2HG2 THR 2 2HG2 THR 2 -24.652 -1.587 2.831 10 3HG2 THR 2 3HG2 THR 2 -25.730 -0.297 2.322 11 H ASN 3 H ASN 3 -24.567 1.677 2.053 12 HA ASN 3 HA ASN 3 -22.539 3.732 1.584 13 1HB ASN 3 2HB ASN 3 -24.911 4.242 2.405 14 2HB ASN 3 1HB ASN 3 -24.632 3.238 3.805 15 1HD2 ASN 3 1HD2 ASN 3 -24.322 6.440 2.535 16 2HD2 ASN 3 2HD2 ASN 3 -23.576 7.126 3.896 17 H GLU 4 H GLU 4 -21.609 1.130 1.879 18 HA GLU 4 HA GLU 4 -20.549 0.762 4.543 19 1HB GLU 4 2HB GLU 4 -19.361 -1.083 3.614 20 2HB GLU 4 1HB GLU 4 -20.930 -1.065 2.870 21 1HG GLU 4 2HG GLU 4 -18.364 -0.111 1.534 22 2HG GLU 4 1HG GLU 4 -19.144 -1.643 1.253 23 H CYS 5 H CYS 5 -19.364 2.117 1.535 24 HA CYS 5 HA CYS 5 -16.752 2.666 2.538 25 1HB CYS 5 2HB CYS 5 -18.181 3.478 0.010 26 2HB CYS 5 1HB CYS 5 -16.515 3.839 0.325 27 H LEU 6 H LEU 6 -19.669 4.355 1.789 28 HA LEU 6 HA LEU 6 -18.970 7.013 2.071 29 1HB LEU 6 2HB LEU 6 -21.495 5.606 2.902 30 2HB LEU 6 1HB LEU 6 -21.385 7.325 2.623 31 HG LEU 6 HG LEU 6 -21.077 5.038 0.605 32 1HD1 LEU 6 1HD1 LEU 6 -23.044 7.332 0.720 33 2HD1 LEU 6 2HD1 LEU 6 -23.385 5.648 1.080 34 3HD1 LEU 6 3HD1 LEU 6 -22.963 6.121 -0.551 35 1HD2 LEU 6 1HD2 LEU 6 -19.377 6.810 0.027 36 2HD2 LEU 6 2HD2 LEU 6 -20.648 8.024 0.055 37 3HD2 LEU 6 3HD2 LEU 6 -20.659 6.758 -1.162 38 H ASP 7 H ASP 7 -19.940 4.702 4.517 39 HA ASP 7 HA ASP 7 -19.268 6.584 6.751 40 1HB ASP 7 2HB ASP 7 -21.511 5.335 6.668 41 2HB ASP 7 1HB ASP 7 -20.588 3.847 6.782 42 H ASN 8 H ASN 8 -18.610 4.572 8.551 43 HA ASN 8 HA ASN 8 -15.888 4.253 8.385 44 1HB ASN 8 2HB ASN 8 -17.856 2.425 9.539 45 2HB ASN 8 1HB ASN 8 -16.166 2.432 10.001 46 1HD2 ASN 8 1HD2 ASN 8 -15.357 4.585 10.911 47 2HD2 ASN 8 2HD2 ASN 8 -16.439 5.527 11.820 48 H ASN 9 H ASN 9 -14.693 3.234 6.893 49 HA ASN 9 HA ASN 9 -15.406 1.860 4.655 50 1HB ASN 9 2HB ASN 9 -13.204 2.745 5.255 51 2HB ASN 9 1HB ASN 9 -13.033 1.429 6.404 52 1HD2 ASN 9 1HD2 ASN 9 -12.594 -0.657 5.710 53 2HD2 ASN 9 2HD2 ASN 9 -11.971 -0.961 4.170 54 H GLY 10 H GLY 10 -17.195 0.503 5.267 55 1HA GLY 10 2HA GLY 10 -18.148 -1.594 5.358 56 2HA GLY 10 1HA GLY 10 -16.524 -2.252 5.442 57 H GLY 11 H GLY 11 -16.199 -0.239 7.741 58 1HA GLY 11 2HA GLY 11 -17.617 -0.361 9.995 59 2HA GLY 11 1HA GLY 11 -16.930 -2.001 9.980 60 H CYS 12 H CYS 12 -14.720 -0.901 8.363 61 HA CYS 12 HA CYS 12 -12.904 -0.006 10.502 62 1HB CYS 12 2HB CYS 12 -12.494 -1.116 7.713 63 2HB CYS 12 1HB CYS 12 -11.222 -0.725 8.810 64 H SER 13 H SER 13 -11.120 0.875 8.254 65 HA SER 13 HA SER 13 -12.229 3.210 6.967 66 1HB SER 13 2HB SER 13 -10.908 4.861 8.261 67 2HB SER 13 1HB SER 13 -12.049 4.015 9.314 68 HG SER 13 HG SER 13 -9.311 3.344 8.906 69 H HIS 14 H HIS 14 -11.012 0.830 6.311 70 HA HIS 14 HA HIS 14 -8.327 1.521 5.258 71 1HB HIS 14 2HB HIS 14 -9.620 -1.133 5.968 72 2HB HIS 14 1HB HIS 14 -8.028 -0.952 5.278 73 HD1 HIS 14 1HD HIS 14 -8.197 1.691 7.527 74 HD2 HIS 14 2HD HIS 14 -7.803 -2.330 8.072 75 HE1 HIS 14 1HE HIS 14 -7.272 1.389 9.798 76 H VAL 15 H VAL 15 -9.852 -1.291 4.061 77 HA VAL 15 HA VAL 15 -10.521 0.027 1.457 78 HB VAL 15 HB VAL 15 -9.530 -2.781 2.009 79 1HG1 VAL 15 1HG1 VAL 15 -11.115 -2.739 0.069 80 2HG1 VAL 15 2HG1 VAL 15 -9.485 -3.032 -0.494 81 3HG1 VAL 15 3HG1 VAL 15 -10.199 -1.438 -0.666 82 1HG2 VAL 15 1HG2 VAL 15 -7.546 -2.081 0.721 83 2HG2 VAL 15 2HG2 VAL 15 -7.746 -1.103 2.170 84 3HG2 VAL 15 3HG2 VAL 15 -8.193 -0.452 0.596 85 H CYS 16 H CYS 16 -12.639 0.207 1.388 86 HA CYS 16 HA CYS 16 -14.465 -1.697 2.645 87 1HB CYS 16 2HB CYS 16 -16.149 -0.122 1.802 88 2HB CYS 16 1HB CYS 16 -14.911 0.745 2.652 89 H ASN 17 H ASN 17 -13.746 -3.576 1.456 90 HA ASN 17 HA ASN 17 -14.176 -3.535 -1.476 91 1HB ASN 17 2HB ASN 17 -12.171 -4.485 -0.797 92 2HB ASN 17 1HB ASN 17 -12.816 -5.363 0.540 93 1HD2 ASN 17 1HD2 ASN 17 -12.862 -7.549 0.015 94 2HD2 ASN 17 2HD2 ASN 17 -13.108 -8.202 -1.526 95 H ASP 18 H ASP 18 -16.142 -3.020 -1.138 96 HA ASP 18 HA ASP 18 -18.313 -4.113 0.172 97 1HB ASP 18 2HB ASP 18 -18.328 -1.960 -1.023 98 2HB ASP 18 1HB ASP 18 -18.224 -2.787 -2.565 99 H LEU 19 H LEU 19 -18.095 -6.272 0.209 100 HA LEU 19 HA LEU 19 -18.174 -8.110 -1.910 101 1HB LEU 19 2HB LEU 19 -17.514 -8.302 0.599 102 2HB LEU 19 1HB LEU 19 -19.220 -8.363 0.925 103 HG LEU 19 HG LEU 19 -19.483 -10.443 -0.332 104 1HD1 LEU 19 1HD1 LEU 19 -17.405 -11.579 -1.087 105 2HD1 LEU 19 2HD1 LEU 19 -16.458 -10.192 -0.552 106 3HD1 LEU 19 3HD1 LEU 19 -17.564 -10.033 -1.906 107 1HD2 LEU 19 1HD2 LEU 19 -18.305 -11.800 1.379 108 2HD2 LEU 19 2HD2 LEU 19 -19.042 -10.379 2.084 109 3HD2 LEU 19 3HD2 LEU 19 -17.316 -10.406 1.804 110 H LYS 20 H LYS 20 -20.175 -9.775 -1.835 111 HA LYS 20 HA LYS 20 -22.461 -8.271 -2.809 112 1HB LYS 20 2HB LYS 20 -23.438 -10.537 -3.177 113 2HB LYS 20 1HB LYS 20 -21.789 -10.462 -3.763 114 1HG LYS 20 2HG LYS 20 -21.014 -11.591 -1.632 115 2HG LYS 20 1HG LYS 20 -22.685 -11.708 -1.119 116 1HD LYS 20 2HD LYS 20 -22.006 -13.835 -2.061 117 2HD LYS 20 1HD LYS 20 -23.243 -13.107 -3.063 118 1HE LYS 20 2HE LYS 20 -21.408 -14.072 -4.435 119 2HE LYS 20 1HE LYS 20 -21.493 -12.338 -4.680 120 1HZ LYS 20 1HZ LYS 20 -19.610 -11.987 -3.423 121 2HZ LYS 20 2HZ LYS 20 -19.241 -13.434 -4.235 122 3HZ LYS 20 3HZ LYS 20 -19.733 -13.473 -2.610 123 H ILE 21 H ILE 21 -21.702 -10.297 -0.016 124 HA ILE 21 HA ILE 21 -23.522 -8.838 1.745 125 HB ILE 21 HB ILE 21 -23.570 -11.846 1.259 126 1HG1 ILE 21 2HG1 ILE 21 -25.763 -9.761 0.810 127 2HG1 ILE 21 1HG1 ILE 21 -24.885 -10.613 -0.446 128 1HG2 ILE 21 1HG2 ILE 21 -23.764 -11.295 3.656 129 2HG2 ILE 21 2HG2 ILE 21 -25.305 -11.889 3.077 130 3HG2 ILE 21 3HG2 ILE 21 -25.063 -10.160 3.309 131 1HD1 ILE 21 1HD1 ILE 21 -27.082 -11.634 -0.121 132 2HD1 ILE 21 2HD1 ILE 21 -26.728 -11.957 1.562 133 3HD1 ILE 21 3HD1 ILE 21 -25.811 -12.770 0.303 134 H GLY 22 H GLY 22 -22.200 -8.347 3.440 135 1HA GLY 22 2HA GLY 22 -20.853 -8.804 5.298 136 2HA GLY 22 1HA GLY 22 -20.415 -10.320 4.553 137 H TYR 23 H TYR 23 -20.290 -7.085 3.410 138 HA TYR 23 HA TYR 23 -18.105 -6.798 1.863 139 1HB TYR 23 2HB TYR 23 -18.644 -4.765 4.005 140 2HB TYR 23 1HB TYR 23 -18.012 -4.489 2.403 141 HD1 TYR 23 1HD TYR 23 -20.194 -6.557 1.105 142 HD2 TYR 23 2HD TYR 23 -20.366 -3.127 3.603 143 HE1 TYR 23 1HE TYR 23 -22.467 -6.101 0.323 144 HE2 TYR 23 2HE TYR 23 -22.642 -2.663 2.812 145 HH TYR 23 HH TYR 23 -24.372 -4.929 0.782 146 H GLU 24 H GLU 24 -15.973 -6.054 2.012 147 HA GLU 24 HA GLU 24 -14.572 -7.074 4.402 148 1HB GLU 24 2HB GLU 24 -13.683 -6.723 1.571 149 2HB GLU 24 1HB GLU 24 -12.709 -7.380 2.857 150 1HG GLU 24 2HG GLU 24 -14.518 -9.106 3.223 151 2HG GLU 24 1HG GLU 24 -15.358 -8.423 1.833 152 H CYS 25 H CYS 25 -12.695 -6.354 4.955 153 HA CYS 25 HA CYS 25 -12.102 -3.515 4.925 154 1HB CYS 25 2HB CYS 25 -13.108 -4.176 7.038 155 2HB CYS 25 1HB CYS 25 -12.121 -5.601 7.126 156 H LEU 26 H LEU 26 -10.775 -4.433 2.990 157 HA LEU 26 HA LEU 26 -8.526 -6.145 3.612 158 1HB LEU 26 2HB LEU 26 -8.647 -4.396 1.150 159 2HB LEU 26 1HB LEU 26 -7.941 -5.943 1.396 160 HG LEU 26 HG LEU 26 -10.922 -5.562 1.364 161 1HD1 LEU 26 1HD1 LEU 26 -9.070 -6.778 -0.726 162 2HD1 LEU 26 2HD1 LEU 26 -9.974 -5.279 -0.891 163 3HD1 LEU 26 3HD1 LEU 26 -10.812 -6.809 -0.795 164 1HD2 LEU 26 1HD2 LEU 26 -10.268 -7.451 2.806 165 2HD2 LEU 26 2HD2 LEU 26 -9.286 -8.117 1.507 166 3HD2 LEU 26 3HD2 LEU 26 -11.030 -8.011 1.329 167 H CYS 27 H CYS 27 -6.408 -5.246 2.565 168 HA CYS 27 HA CYS 27 -5.438 -3.194 4.369 169 1HB CYS 27 2HB CYS 27 -4.040 -4.902 2.320 170 2HB CYS 27 1HB CYS 27 -3.247 -3.881 3.494 171 HA PRO 28 HA PRO 28 -5.721 0.100 1.345 172 1HB PRO 28 2HB PRO 28 -4.156 1.919 2.716 173 2HB PRO 28 1HB PRO 28 -5.830 1.619 3.039 174 1HG PRO 28 2HG PRO 28 -3.461 0.676 4.521 175 2HG PRO 28 1HG PRO 28 -5.065 1.108 5.114 176 1HD PRO 28 2HD PRO 28 -4.166 -1.458 4.796 177 2HD PRO 28 1HD PRO 28 -5.874 -0.989 4.811 178 H ASP 29 H ASP 29 -2.628 -0.058 2.947 179 HA ASP 29 HA ASP 29 -1.119 0.590 0.550 180 1HB ASP 29 2HB ASP 29 0.814 0.437 2.085 181 2HB ASP 29 1HB ASP 29 -0.452 1.422 2.771 182 H GLY 30 H GLY 30 1.010 -0.752 0.420 183 1HA GLY 30 2HA GLY 30 0.550 -3.052 -1.021 184 2HA GLY 30 1HA GLY 30 2.097 -2.618 -0.347 185 H PHE 31 H PHE 31 0.445 -3.040 2.414 186 HA PHE 31 HA PHE 31 1.605 -5.599 2.917 187 1HB PHE 31 2HB PHE 31 -0.433 -3.952 4.395 188 2HB PHE 31 1HB PHE 31 0.184 -5.447 5.028 189 HD1 PHE 31 1HD PHE 31 2.693 -3.679 3.093 190 HD2 PHE 31 2HD PHE 31 0.844 -3.941 6.931 191 HE1 PHE 31 1HE PHE 31 4.560 -2.464 4.060 192 HE2 PHE 31 2HE PHE 31 2.749 -2.710 7.905 193 HZ PHE 31 HZ PHE 31 4.606 -1.985 6.442 194 H GLN 32 H GLN 32 0.399 -7.366 3.939 195 HA GLN 32 HA GLN 32 -1.909 -8.140 2.203 196 1HB GLN 32 2HB GLN 32 0.204 -9.768 3.618 197 2HB GLN 32 1HB GLN 32 -1.145 -10.444 2.761 198 1HG GLN 32 2HG GLN 32 -0.309 -9.320 0.663 199 2HG GLN 32 1HG GLN 32 1.028 -8.638 1.584 200 1HE2 GLN 32 1HE2 GLN 32 -0.350 -11.690 0.394 201 2HE2 GLN 32 2HE2 GLN 32 1.074 -12.598 0.568 202 H LEU 33 H LEU 33 -3.843 -8.643 3.141 203 HA LEU 33 HA LEU 33 -4.113 -8.170 6.018 204 1HB LEU 33 2HB LEU 33 -5.933 -7.663 4.176 205 2HB LEU 33 1HB LEU 33 -6.238 -9.383 4.180 206 HG LEU 33 HG LEU 33 -6.578 -9.190 6.744 207 1HD1 LEU 33 1HD1 LEU 33 -5.417 -6.997 7.038 208 2HD1 LEU 33 2HD1 LEU 33 -7.074 -6.908 7.595 209 3HD1 LEU 33 3HD1 LEU 33 -6.639 -6.229 6.040 210 1HD2 LEU 33 1HD2 LEU 33 -8.863 -8.297 6.585 211 2HD2 LEU 33 2HD2 LEU 33 -8.520 -9.368 5.238 212 3HD2 LEU 33 3HD2 LEU 33 -8.507 -7.625 5.010 213 H VAL 34 H VAL 34 -3.792 -9.718 7.503 214 HA VAL 34 HA VAL 34 -4.353 -12.554 6.835 215 HB VAL 34 HB VAL 34 -2.008 -12.205 6.264 216 1HG1 VAL 34 1HG1 VAL 34 -0.361 -11.574 7.987 217 2HG1 VAL 34 2HG1 VAL 34 -1.647 -11.321 9.149 218 3HG1 VAL 34 3HG1 VAL 34 -1.533 -10.286 7.729 219 1HG2 VAL 34 1HG2 VAL 34 -2.326 -13.804 8.838 220 2HG2 VAL 34 2HG2 VAL 34 -0.998 -13.960 7.701 221 3HG2 VAL 34 3HG2 VAL 34 -2.626 -14.395 7.212 222 H ALA 35 H ALA 35 -3.368 -10.270 9.317 223 HA ALA 35 HA ALA 35 -4.312 -11.937 11.447 224 1HB ALA 35 1HB ALA 35 -2.273 -10.613 11.724 225 2HB ALA 35 2HB ALA 35 -3.468 -10.033 12.872 226 3HB ALA 35 3HB ALA 35 -3.151 -9.136 11.392 227 H GLN 36 H GLN 36 -6.393 -11.733 10.056 228 HA GLN 36 HA GLN 36 -8.646 -11.266 10.000 229 1HB GLN 36 2HB GLN 36 -8.126 -9.768 12.613 230 2HB GLN 36 1HB GLN 36 -9.689 -10.248 12.002 231 1HG GLN 36 2HG GLN 36 -9.056 -12.633 12.114 232 2HG GLN 36 1HG GLN 36 -7.452 -12.195 12.691 233 1HE2 GLN 36 1HE2 GLN 36 -7.210 -11.821 14.908 234 2HE2 GLN 36 2HE2 GLN 36 -8.497 -11.771 16.014 235 H ARG 37 H ARG 37 -7.656 -8.229 11.536 236 HA ARG 37 HA ARG 37 -8.657 -6.714 9.159 237 1HB ARG 37 2HB ARG 37 -8.721 -5.982 12.081 238 2HB ARG 37 1HB ARG 37 -8.947 -4.803 10.830 239 1HG ARG 37 2HG ARG 37 -11.042 -5.439 11.835 240 2HG ARG 37 1HG ARG 37 -11.007 -5.775 10.125 241 1HD ARG 37 2HD ARG 37 -10.389 -7.926 12.112 242 2HD ARG 37 1HD ARG 37 -12.062 -7.506 11.691 243 HE ARG 37 HE ARG 37 -10.415 -7.955 9.356 244 1HH1 ARG 37 2HH1 ARG 37 -12.238 -9.502 11.870 245 2HH1 ARG 37 1HH1 ARG 37 -12.552 -10.918 10.928 246 1HH2 ARG 37 1HH2 ARG 37 -10.804 -9.748 8.146 247 2HH2 ARG 37 2HH2 ARG 37 -11.730 -11.063 8.790 248 H ARG 38 H ARG 38 -5.963 -7.523 10.988 249 HA ARG 38 HA ARG 38 -4.476 -5.020 10.498 250 1HB ARG 38 2HB ARG 38 -3.912 -7.469 12.202 251 2HB ARG 38 1HB ARG 38 -2.753 -6.208 11.933 252 1HG ARG 38 2HG ARG 38 -3.783 -5.818 14.051 253 2HG ARG 38 1HG ARG 38 -4.275 -4.557 12.947 254 1HD ARG 38 2HD ARG 38 -6.134 -5.308 14.291 255 2HD ARG 38 1HD ARG 38 -6.445 -5.713 12.607 256 HE ARG 38 HE ARG 38 -5.164 -7.946 13.757 257 1HH1 ARG 38 2HH1 ARG 38 -8.097 -6.148 14.185 258 2HH1 ARG 38 1HH1 ARG 38 -8.975 -7.512 14.790 259 1HH2 ARG 38 1HH2 ARG 38 -6.255 -9.681 14.520 260 2HH2 ARG 38 2HH2 ARG 38 -7.917 -9.542 14.985 261 H CYS 39 H CYS 39 -2.956 -4.868 9.083 262 HA CYS 39 HA CYS 39 -2.427 -7.083 7.210 263 1HB CYS 39 2HB CYS 39 -1.822 -4.123 7.040 264 2HB CYS 39 1HB CYS 39 -1.717 -5.294 5.737 265 H GLU 40 H GLU 40 -0.322 -7.560 6.409 266 HA GLU 40 HA GLU 40 1.861 -7.175 8.363 267 1HB GLU 40 2HB GLU 40 2.680 -9.273 7.554 268 2HB GLU 40 1HB GLU 40 1.000 -9.496 7.994 269 1HG GLU 40 2HG GLU 40 0.441 -9.028 5.528 270 2HG GLU 40 1HG GLU 40 2.144 -9.053 5.195 271 H ASP 41 H ASP 41 3.825 -6.661 7.707 272 HA ASP 41 HA ASP 41 4.147 -5.144 5.254 273 1HB ASP 41 2HB ASP 41 5.158 -4.409 7.435 274 2HB ASP 41 1HB ASP 41 6.114 -5.871 7.492 275 H ILE 42 H ILE 42 6.454 -5.468 4.297 276 HA ILE 42 HA ILE 42 7.186 -8.150 3.673 277 HB ILE 42 HB ILE 42 5.466 -7.687 1.960 278 1HG1 ILE 42 2HG1 ILE 42 6.760 -7.618 -0.158 279 2HG1 ILE 42 1HG1 ILE 42 8.192 -7.176 0.752 280 1HG2 ILE 42 1HG2 ILE 42 5.448 -5.676 0.529 281 2HG2 ILE 42 2HG2 ILE 42 6.783 -4.988 1.420 282 3HG2 ILE 42 3HG2 ILE 42 5.246 -5.256 2.217 283 1HD1 ILE 42 1HD1 ILE 42 8.159 -9.616 0.292 284 2HD1 ILE 42 2HD1 ILE 42 6.613 -9.762 1.113 285 3HD1 ILE 42 3HD1 ILE 42 8.054 -9.328 2.019 286 H ASP 43 H ASP 43 9.052 -7.727 4.712 287 HA ASP 43 HA ASP 43 10.493 -5.226 4.399 288 1HB ASP 43 2HB ASP 43 10.562 -6.600 6.491 289 2HB ASP 43 1HB ASP 43 11.445 -7.847 5.632 290 H GLU 44 H GLU 44 11.169 -4.835 2.500 291 HA GLU 44 HA GLU 44 12.446 -6.757 0.724 292 1HB GLU 44 2HB GLU 44 12.553 -4.814 -0.845 293 2HB GLU 44 1HB GLU 44 10.939 -5.138 -0.270 294 1HG GLU 44 2HG GLU 44 12.746 -2.954 0.865 295 2HG GLU 44 1HG GLU 44 11.526 -2.713 -0.359 296 H CYS 45 H CYS 45 13.605 -4.701 3.246 297 HA CYS 45 HA CYS 45 16.025 -3.860 2.111 298 1HB CYS 45 2HB CYS 45 15.284 -4.471 4.970 299 2HB CYS 45 1HB CYS 45 16.830 -3.907 4.521 300 H GLN 46 H GLN 46 15.390 -6.437 4.337 301 HA GLN 46 HA GLN 46 17.742 -7.783 4.591 302 1HB GLN 46 2HB GLN 46 14.975 -9.002 4.226 303 2HB GLN 46 1HB GLN 46 16.336 -9.816 4.954 304 1HG GLN 46 2HG GLN 46 15.047 -7.258 6.017 305 2HG GLN 46 1HG GLN 46 14.821 -8.859 6.697 306 1HE2 GLN 46 1HE2 GLN 46 16.920 -9.964 7.454 307 2HE2 GLN 46 2HE2 GLN 46 18.116 -8.971 8.137 308 H ASP 47 H ASP 47 15.451 -8.157 1.978 309 HA ASP 47 HA ASP 47 17.006 -10.074 0.555 310 1HB ASP 47 2HB ASP 47 14.539 -10.072 0.379 311 2HB ASP 47 1HB ASP 47 14.566 -8.440 -0.264 312 HA PRO 48 HA PRO 48 19.647 -7.054 -1.426 313 1HB PRO 48 2HB PRO 48 20.227 -8.434 -3.776 314 2HB PRO 48 1HB PRO 48 21.005 -8.749 -2.246 315 1HG PRO 48 2HG PRO 48 18.692 -10.187 -3.485 316 2HG PRO 48 1HG PRO 48 20.120 -10.851 -2.667 317 1HD PRO 48 2HD PRO 48 17.780 -10.693 -1.422 318 2HD PRO 48 1HD PRO 48 19.290 -10.373 -0.554 319 H ASP 49 H ASP 49 18.158 -5.487 -1.711 320 HA ASP 49 HA ASP 49 17.066 -5.138 -4.443 321 1HB ASP 49 2HB ASP 49 15.211 -6.036 -3.083 322 2HB ASP 49 1HB ASP 49 15.520 -4.842 -1.838 323 H THR 50 H THR 50 17.623 -3.693 -1.286 324 HA THR 50 HA THR 50 17.725 -0.976 -2.341 325 HB THR 50 HB THR 50 18.009 -0.491 0.174 326 HG1 THR 50 1HG THR 50 17.867 -3.320 0.268 327 1HG2 THR 50 1HG2 THR 50 15.883 -2.641 -0.411 328 2HG2 THR 50 2HG2 THR 50 15.670 -0.942 -0.793 329 3HG2 THR 50 3HG2 THR 50 15.816 -1.457 0.877 330 H CYS 51 H CYS 51 19.951 -1.385 0.118 331 HA CYS 51 HA CYS 51 22.217 -0.933 -1.718 332 1HB CYS 51 2HB CYS 51 21.752 -0.606 1.223 333 2HB CYS 51 1HB CYS 51 23.364 -0.554 0.585 334 H SER 52 H SER 52 24.333 -1.967 -1.171 335 HA SER 52 HA SER 52 24.075 -4.807 -1.277 336 1HB SER 52 2HB SER 52 26.522 -3.030 -0.831 337 2HB SER 52 1HB SER 52 26.564 -4.729 -1.307 338 HG SER 52 HG SER 52 25.297 -4.191 -3.113 339 H GLN 53 H GLN 53 24.034 -2.693 1.348 340 HA GLN 53 HA GLN 53 24.496 -4.959 3.208 341 1HB GLN 53 2HB GLN 53 25.765 -2.229 3.392 342 2HB GLN 53 1HB GLN 53 25.753 -3.371 4.714 343 1HG GLN 53 2HG GLN 53 26.997 -3.829 1.968 344 2HG GLN 53 1HG GLN 53 27.875 -3.440 3.441 345 1HE2 GLN 53 1HE2 GLN 53 26.741 -5.104 5.334 346 2HE2 GLN 53 2HE2 GLN 53 26.959 -6.729 4.892 347 H LEU 54 H LEU 54 24.145 -1.643 4.339 348 HA LEU 54 HA LEU 54 21.949 -2.464 6.008 349 1HB LEU 54 2HB LEU 54 23.929 -1.279 6.774 350 2HB LEU 54 1HB LEU 54 23.598 0.022 5.657 351 HG LEU 54 HG LEU 54 21.490 -0.623 7.756 352 1HD1 LEU 54 1HD1 LEU 54 22.640 1.012 9.241 353 2HD1 LEU 54 2HD1 LEU 54 23.955 1.193 8.087 354 3HD1 LEU 54 3HD1 LEU 54 23.729 -0.330 8.932 355 1HD2 LEU 54 1HD2 LEU 54 21.163 1.069 5.835 356 2HD2 LEU 54 2HD2 LEU 54 22.601 1.868 6.428 357 3HD2 LEU 54 3HD2 LEU 54 21.143 1.822 7.415 358 H CYS 55 H CYS 55 20.138 -1.330 6.323 359 HA CYS 55 HA CYS 55 19.001 0.506 4.363 360 1HB CYS 55 2HB CYS 55 18.818 -1.717 3.265 361 2HB CYS 55 1HB CYS 55 18.053 -2.350 4.668 362 H VAL 56 H VAL 56 16.526 0.705 5.007 363 HA VAL 56 HA VAL 56 16.118 0.384 7.936 364 HB VAL 56 HB VAL 56 15.742 3.014 6.393 365 1HG1 VAL 56 1HG1 VAL 56 15.188 3.972 8.620 366 2HG1 VAL 56 2HG1 VAL 56 15.358 2.385 9.354 367 3HG1 VAL 56 3HG1 VAL 56 14.064 2.691 8.208 368 1HG2 VAL 56 1HG2 VAL 56 17.568 3.901 7.823 369 2HG2 VAL 56 2HG2 VAL 56 18.147 2.571 6.842 370 3HG2 VAL 56 3HG2 VAL 56 17.790 2.316 8.543 371 H ASN 57 H ASN 57 14.527 -1.077 7.657 372 HA ASN 57 HA ASN 57 12.419 -0.716 5.654 373 1HB ASN 57 2HB ASN 57 13.338 -2.986 6.163 374 2HB ASN 57 1HB ASN 57 12.735 -2.817 7.803 375 1HD2 ASN 57 1HD2 ASN 57 11.116 -4.390 7.866 376 2HD2 ASN 57 2HD2 ASN 57 9.782 -4.413 6.816 377 H LEU 58 H LEU 58 10.318 -0.830 6.087 378 HA LEU 58 HA LEU 58 8.799 -0.495 8.456 379 1HB LEU 58 2HB LEU 58 8.162 1.876 8.353 380 2HB LEU 58 1HB LEU 58 9.875 1.773 8.603 381 HG LEU 58 HG LEU 58 8.656 2.272 5.855 382 1HD1 LEU 58 1HD1 LEU 58 8.134 4.146 7.467 383 2HD1 LEU 58 2HD1 LEU 58 9.294 4.655 6.255 384 3HD1 LEU 58 3HD1 LEU 58 9.838 4.256 7.877 385 1HD2 LEU 58 1HD2 LEU 58 10.934 3.071 5.371 386 2HD2 LEU 58 2HD2 LEU 58 10.956 1.392 5.845 387 3HD2 LEU 58 3HD2 LEU 58 11.446 2.638 6.987 388 H GLU 59 H GLU 59 6.858 1.163 7.311 389 HA GLU 59 HA GLU 59 5.669 -0.776 5.511 390 1HB GLU 59 2HB GLU 59 4.234 0.441 7.201 391 2HB GLU 59 1HB GLU 59 4.601 1.964 6.413 392 1HG GLU 59 2HG GLU 59 3.376 1.274 4.378 393 2HG GLU 59 1HG GLU 59 3.152 -0.342 4.986 394 H GLY 60 H GLY 60 6.863 -0.975 3.979 395 1HA GLY 60 2HA GLY 60 7.546 -0.844 1.850 396 2HA GLY 60 1HA GLY 60 6.074 0.080 1.587 397 H GLY 61 H GLY 61 7.629 1.826 3.765 398 1HA GLY 61 2HA GLY 61 8.675 3.782 1.827 399 2HA GLY 61 1HA GLY 61 8.472 4.027 3.561 400 H TYR 62 H TYR 62 10.022 1.203 2.843 401 HA TYR 62 HA TYR 62 12.324 1.501 4.248 402 1HB TYR 62 2HB TYR 62 13.304 -0.329 2.949 403 2HB TYR 62 1HB TYR 62 11.582 -0.580 3.185 404 HD1 TYR 62 1HD TYR 62 14.200 0.193 0.765 405 HD2 TYR 62 2HD TYR 62 10.000 -0.241 1.262 406 HE1 TYR 62 1HE TYR 62 13.932 0.127 -1.660 407 HE2 TYR 62 2HE TYR 62 9.726 -0.304 -1.169 408 HH TYR 62 HH TYR 62 12.126 -0.911 -3.275 409 H LYS 63 H LYS 63 14.471 1.913 3.944 410 HA LYS 63 HA LYS 63 15.217 3.502 1.525 411 1HB LYS 63 2HB LYS 63 14.715 5.053 3.325 412 2HB LYS 63 1HB LYS 63 15.842 4.219 4.396 413 1HG LYS 63 2HG LYS 63 17.716 4.889 2.939 414 2HG LYS 63 1HG LYS 63 16.602 5.676 1.827 415 1HD LYS 63 2HD LYS 63 15.931 7.215 3.694 416 2HD LYS 63 1HD LYS 63 17.060 6.395 4.762 417 1HE LYS 63 2HE LYS 63 18.946 7.039 3.263 418 2HE LYS 63 1HE LYS 63 17.816 7.867 2.200 419 1HZ LYS 63 1HZ LYS 63 18.290 8.513 5.050 420 2HZ LYS 63 2HZ LYS 63 17.213 9.319 4.012 421 3HZ LYS 63 3HZ LYS 63 18.885 9.386 3.719 422 H CYS 64 H CYS 64 17.221 3.671 1.131 423 HA CYS 64 HA CYS 64 19.043 1.406 1.878 424 1HB CYS 64 2HB CYS 64 18.230 1.551 -0.302 425 2HB CYS 64 1HB CYS 64 18.875 3.168 -0.452 426 H GLN 65 H GLN 65 20.910 1.727 2.282 427 HA GLN 65 HA GLN 65 22.407 4.276 2.311 428 1HB GLN 65 2HB GLN 65 21.946 3.039 5.030 429 2HB GLN 65 1HB GLN 65 22.749 4.526 4.686 430 1HG GLN 65 2HG GLN 65 20.681 5.615 3.943 431 2HG GLN 65 1HG GLN 65 19.768 4.151 4.299 432 1HE2 GLN 65 1HE2 GLN 65 20.961 7.049 5.658 433 2HE2 GLN 65 2HE2 GLN 65 20.627 6.685 7.283 434 H CYS 66 H CYS 66 24.408 3.867 3.960 435 HA CYS 66 HA CYS 66 25.678 1.369 2.980 436 1HB CYS 66 2HB CYS 66 27.038 3.871 3.948 437 2HB CYS 66 1HB CYS 66 27.670 2.562 3.100 438 H GLU 67 H GLU 67 27.205 0.344 4.112 439 HA GLU 67 HA GLU 67 26.597 -0.044 6.971 440 1HB GLU 67 2HB GLU 67 26.977 -1.903 5.200 441 2HB GLU 67 1HB GLU 67 28.661 -1.509 5.253 442 1HG GLU 67 2HG GLU 67 27.012 -2.497 7.623 443 2HG GLU 67 1HG GLU 67 28.175 -3.440 6.725 444 H GLU 68 H GLU 68 27.430 2.193 7.353 445 HA GLU 68 HA GLU 68 29.021 3.700 8.108 446 1HB GLU 68 2HB GLU 68 30.412 1.093 8.865 447 2HB GLU 68 1HB GLU 68 30.844 2.669 9.495 448 1HG GLU 68 2HG GLU 68 28.544 2.914 10.437 449 2HG GLU 68 1HG GLU 68 28.106 1.341 9.789 450 H GLY 69 H GLY 69 31.402 1.285 7.233 451 1HA GLY 69 2HA GLY 69 33.276 3.031 6.129 452 2HA GLY 69 1HA GLY 69 33.269 1.291 5.893 453 H PHE 70 H PHE 70 30.552 1.404 4.647 454 HA PHE 70 HA PHE 70 31.443 1.766 1.983 455 1HB PHE 70 2HB PHE 70 28.804 1.090 3.240 456 2HB PHE 70 1HB PHE 70 28.918 1.290 1.502 457 HD1 PHE 70 1HD PHE 70 31.544 -0.363 3.586 458 HD2 PHE 70 2HD PHE 70 28.213 -0.933 0.995 459 HE1 PHE 70 1HE PHE 70 32.071 -2.742 3.445 460 HE2 PHE 70 2HE PHE 70 28.752 -3.313 0.847 461 HZ PHE 70 HZ PHE 70 30.681 -4.230 2.064 462 H GLN 71 H GLN 71 30.394 3.165 0.412 463 HA GLN 71 HA GLN 71 29.214 5.612 1.496 464 1HB GLN 71 2HB GLN 71 31.624 5.222 -0.236 465 2HB GLN 71 1HB GLN 71 30.661 6.624 -0.533 466 1HG GLN 71 2HG GLN 71 31.822 5.867 2.199 467 2HG GLN 71 1HG GLN 71 32.494 7.098 1.131 468 1HE2 GLN 71 1HE2 GLN 71 31.566 7.825 3.702 469 2HE2 GLN 71 2HE2 GLN 71 30.165 8.772 3.546 470 H LEU 72 H LEU 72 28.538 7.028 -0.179 471 HA LEU 72 HA LEU 72 26.525 5.585 -1.762 472 1HB LEU 72 2HB LEU 72 25.993 7.731 -0.584 473 2HB LEU 72 1HB LEU 72 27.096 8.574 -1.652 474 HG LEU 72 HG LEU 72 25.729 7.691 -3.618 475 1HD1 LEU 72 1HD1 LEU 72 23.436 6.861 -3.162 476 2HD1 LEU 72 2HD1 LEU 72 23.774 6.854 -1.443 477 3HD1 LEU 72 3HD1 LEU 72 24.635 5.764 -2.516 478 1HD2 LEU 72 1HD2 LEU 72 25.391 9.995 -2.741 479 2HD2 LEU 72 2HD2 LEU 72 24.227 9.386 -1.574 480 3HD2 LEU 72 3HD2 LEU 72 23.867 9.318 -3.294 481 H ASP 73 H ASP 73 27.424 4.566 -3.427 482 HA ASP 73 HA ASP 73 29.546 5.640 -5.087 483 1HB ASP 73 2HB ASP 73 29.070 3.162 -4.839 484 2HB ASP 73 1HB ASP 73 27.581 3.391 -5.740 485 HA PRO 74 HA PRO 74 26.660 8.217 -7.378 486 1HB PRO 74 2HB PRO 74 28.308 9.269 -9.203 487 2HB PRO 74 1HB PRO 74 28.478 9.665 -7.509 488 1HG PRO 74 2HG PRO 74 30.011 7.634 -9.089 489 2HG PRO 74 1HG PRO 74 30.612 8.884 -7.984 490 1HD PRO 74 2HD PRO 74 30.279 6.299 -7.223 491 2HD PRO 74 1HD PRO 74 30.094 7.663 -6.100 492 H HIS 75 H HIS 75 25.823 8.497 -9.479 493 HA HIS 75 HA HIS 75 24.824 7.768 -11.448 494 1HB HIS 75 2HB HIS 75 27.366 6.098 -11.730 495 2HB HIS 75 1HB HIS 75 26.226 6.467 -13.015 496 HD1 HIS 75 1HD HIS 75 28.810 8.107 -10.931 497 HD2 HIS 75 2HD HIS 75 26.363 9.114 -14.040 498 HE1 HIS 75 1HE HIS 75 29.598 10.296 -11.754 499 H THR 76 H THR 76 25.180 5.916 -8.895 500 HA THR 76 HA THR 76 23.387 3.760 -9.886 501 HB THR 76 HB THR 76 24.702 2.087 -8.499 502 HG1 THR 76 1HG THR 76 26.455 4.298 -8.294 503 1HG2 THR 76 1HG2 THR 76 26.561 3.633 -10.415 504 2HG2 THR 76 2HG2 THR 76 25.414 2.424 -10.972 505 3HG2 THR 76 3HG2 THR 76 26.748 1.959 -9.928 506 H LYS 77 H LYS 77 24.821 5.422 -7.281 507 HA LYS 77 HA LYS 77 24.082 6.185 -5.204 508 1HB LYS 77 2HB LYS 77 21.465 5.331 -6.191 509 2HB LYS 77 1HB LYS 77 21.692 6.293 -4.757 510 1HG LYS 77 2HG LYS 77 22.828 8.053 -6.178 511 2HG LYS 77 1HG LYS 77 22.502 7.093 -7.605 512 1HD LYS 77 2HD LYS 77 20.820 8.856 -7.419 513 2HD LYS 77 1HD LYS 77 20.053 7.298 -7.192 514 1HE LYS 77 2HE LYS 77 20.076 7.638 -4.715 515 2HE LYS 77 1HE LYS 77 20.880 9.187 -4.940 516 1HZ LYS 77 1HZ LYS 77 18.163 8.398 -5.783 517 2HZ LYS 77 2HZ LYS 77 18.928 9.802 -6.356 518 3HZ LYS 77 3HZ LYS 77 18.612 9.623 -4.696 519 H ALA 78 H ALA 78 24.498 3.203 -6.029 520 HA ALA 78 HA ALA 78 23.205 1.786 -3.776 521 1HB ALA 78 1HB ALA 78 23.320 0.696 -6.016 522 2HB ALA 78 2HB ALA 78 24.218 -0.228 -4.819 523 3HB ALA 78 3HB ALA 78 25.075 0.790 -5.967 524 H CYS 79 H CYS 79 24.294 1.206 -1.969 525 HA CYS 79 HA CYS 79 26.879 2.440 -1.502 526 1HB CYS 79 2HB CYS 79 25.104 0.778 0.230 527 2HB CYS 79 1HB CYS 79 26.647 1.362 0.771 528 H LYS 80 H LYS 80 28.736 1.646 -0.995 529 HA LYS 80 HA LYS 80 29.321 -1.205 -0.823 530 1HB LYS 80 2HB LYS 80 30.891 -1.222 -2.490 531 2HB LYS 80 1HB LYS 80 29.294 -1.016 -3.220 532 1HG LYS 80 2HG LYS 80 29.806 1.548 -3.267 533 2HG LYS 80 1HG LYS 80 31.454 1.157 -2.836 534 1HD LYS 80 2HD LYS 80 31.366 1.508 -5.216 535 2HD LYS 80 1HD LYS 80 31.674 -0.188 -4.919 536 1HE LYS 80 2HE LYS 80 29.305 -0.744 -5.347 537 2HE LYS 80 1HE LYS 80 28.912 0.958 -5.541 538 1HZ LYS 80 1HZ LYS 80 30.115 1.088 -7.494 539 2HZ LYS 80 2HZ LYS 80 29.321 -0.409 -7.606 540 3HZ LYS 80 3HZ LYS 80 30.969 -0.350 -7.198 541 H ALA 81 H ALA 81 31.622 -1.535 -0.244 542 HA ALA 81 HA ALA 81 32.708 0.118 1.700 543 1HB ALA 81 1HB ALA 81 33.506 -2.169 1.250 544 2HB ALA 81 2HB ALA 81 34.857 -1.049 1.290 545 3HB ALA 81 3HB ALA 81 34.244 -1.633 -0.250 546 H VAL 82 H VAL 82 33.473 2.127 1.720 547 HA VAL 82 HA VAL 82 33.769 3.821 -0.430 548 HB VAL 82 HB VAL 82 33.713 4.556 1.929 549 1HG1 VAL 82 1HG1 VAL 82 36.590 3.532 2.082 550 2HG1 VAL 82 2HG1 VAL 82 35.225 2.806 2.901 551 3HG1 VAL 82 3HG1 VAL 82 35.754 4.417 3.347 552 1HG2 VAL 82 1HG2 VAL 82 34.569 6.154 0.260 553 2HG2 VAL 82 2HG2 VAL 82 36.201 5.547 0.479 554 3HG2 VAL 82 3HG2 VAL 82 35.390 6.374 1.796 Start of MODEL 26 1 H GLY 1 H GLY 1 -23.663 0.708 -1.855 2 1HA GLY 1 2HA GLY 1 -26.212 0.261 -2.810 3 2HA GLY 1 1HA GLY 1 -25.498 -1.354 -2.780 4 H THR 2 H THR 2 -24.596 -2.077 -0.736 5 HA THR 2 HA THR 2 -26.361 -1.891 1.407 6 HB THR 2 HB THR 2 -23.432 -2.772 1.449 7 HG1 THR 2 1HG THR 2 -24.679 -4.825 1.211 8 1HG2 THR 2 1HG2 THR 2 -24.112 -4.269 3.292 9 2HG2 THR 2 2HG2 THR 2 -25.759 -3.658 3.238 10 3HG2 THR 2 3HG2 THR 2 -24.448 -2.629 3.791 11 H ASN 3 H ASN 3 -25.871 -1.260 3.568 12 HA ASN 3 HA ASN 3 -24.706 1.456 3.722 13 1HB ASN 3 2HB ASN 3 -27.110 0.982 4.526 14 2HB ASN 3 1HB ASN 3 -26.485 -0.214 5.637 15 1HD2 ASN 3 1HD2 ASN 3 -26.467 3.317 5.010 16 2HD2 ASN 3 2HD2 ASN 3 -26.169 3.748 6.626 17 H GLU 4 H GLU 4 -22.997 -0.246 3.279 18 HA GLU 4 HA GLU 4 -21.608 -1.112 5.729 19 1HB GLU 4 2HB GLU 4 -21.821 -2.427 3.510 20 2HB GLU 4 1HB GLU 4 -20.757 -1.231 2.799 21 1HG GLU 4 2HG GLU 4 -19.053 -1.866 4.637 22 2HG GLU 4 1HG GLU 4 -20.137 -3.162 5.042 23 H CYS 5 H CYS 5 -21.185 0.919 2.872 24 HA CYS 5 HA CYS 5 -19.054 2.436 4.069 25 1HB CYS 5 2HB CYS 5 -20.280 2.326 1.357 26 2HB CYS 5 1HB CYS 5 -19.443 3.781 1.777 27 H LEU 6 H LEU 6 -22.383 2.830 3.250 28 HA LEU 6 HA LEU 6 -22.775 5.564 3.418 29 1HB LEU 6 2HB LEU 6 -24.521 3.322 4.383 30 2HB LEU 6 1HB LEU 6 -25.088 4.935 4.095 31 HG LEU 6 HG LEU 6 -23.886 3.020 2.006 32 1HD1 LEU 6 1HD1 LEU 6 -26.218 2.442 2.674 33 2HD1 LEU 6 2HD1 LEU 6 -26.165 3.033 1.023 34 3HD1 LEU 6 3HD1 LEU 6 -26.724 4.083 2.318 35 1HD2 LEU 6 1HD2 LEU 6 -23.356 5.406 1.429 36 2HD2 LEU 6 2HD2 LEU 6 -25.059 5.809 1.571 37 3HD2 LEU 6 3HD2 LEU 6 -24.510 4.724 0.305 38 H ASP 7 H ASP 7 -22.562 3.145 5.888 39 HA ASP 7 HA ASP 7 -22.649 5.149 8.124 40 1HB ASP 7 2HB ASP 7 -24.251 3.141 8.049 41 2HB ASP 7 1HB ASP 7 -22.826 2.116 8.135 42 H ASN 8 H ASN 8 -21.173 3.481 9.828 43 HA ASN 8 HA ASN 8 -18.560 4.252 9.382 44 1HB ASN 8 2HB ASN 8 -19.582 1.884 10.761 45 2HB ASN 8 1HB ASN 8 -17.961 2.486 11.021 46 1HD2 ASN 8 1HD2 ASN 8 -17.746 4.592 12.124 47 2HD2 ASN 8 2HD2 ASN 8 -19.023 5.218 13.052 48 H ASN 9 H ASN 9 -17.215 3.619 7.671 49 HA ASN 9 HA ASN 9 -17.839 1.802 5.702 50 1HB ASN 9 2HB ASN 9 -15.150 2.812 6.624 51 2HB ASN 9 1HB ASN 9 -15.390 1.929 5.132 52 1HD2 ASN 9 1HD2 ASN 9 -17.194 4.618 6.766 53 2HD2 ASN 9 2HD2 ASN 9 -17.293 5.582 5.382 54 H GLY 10 H GLY 10 -18.604 -0.045 6.524 55 1HA GLY 10 2HA GLY 10 -18.474 -2.342 6.844 56 2HA GLY 10 1HA GLY 10 -16.726 -2.175 6.819 57 H GLY 11 H GLY 11 -17.298 0.040 8.915 58 1HA GLY 11 2HA GLY 11 -18.344 -0.355 11.272 59 2HA GLY 11 1HA GLY 11 -17.150 -1.662 11.338 60 H CYS 12 H CYS 12 -16.243 1.020 9.415 61 HA CYS 12 HA CYS 12 -14.797 2.419 11.537 62 1HB CYS 12 2HB CYS 12 -13.718 1.000 9.113 63 2HB CYS 12 1HB CYS 12 -12.830 2.206 9.961 64 H SER 13 H SER 13 -13.348 3.485 8.930 65 HA SER 13 HA SER 13 -15.405 4.856 7.480 66 1HB SER 13 2HB SER 13 -14.829 7.167 8.339 67 2HB SER 13 1HB SER 13 -15.519 6.152 9.608 68 HG SER 13 HG SER 13 -12.758 6.002 9.180 69 H HIS 14 H HIS 14 -13.238 3.213 7.057 70 HA HIS 14 HA HIS 14 -11.294 4.834 5.516 71 1HB HIS 14 2HB HIS 14 -11.215 1.935 6.536 72 2HB HIS 14 1HB HIS 14 -9.890 2.794 5.785 73 HD1 HIS 14 1HD HIS 14 -10.788 1.796 8.933 74 HD2 HIS 14 2HD HIS 14 -9.510 5.423 7.565 75 HE1 HIS 14 1HE HIS 14 -9.950 3.021 10.901 76 H VAL 15 H VAL 15 -11.199 1.742 4.533 77 HA VAL 15 HA VAL 15 -13.127 2.144 2.322 78 HB VAL 15 HB VAL 15 -10.776 1.690 1.765 79 1HG1 VAL 15 1HG1 VAL 15 -9.697 -0.455 2.248 80 2HG1 VAL 15 2HG1 VAL 15 -11.037 -0.947 3.258 81 3HG1 VAL 15 3HG1 VAL 15 -10.040 0.416 3.729 82 1HG2 VAL 15 1HG2 VAL 15 -11.162 -0.353 0.287 83 2HG2 VAL 15 2HG2 VAL 15 -12.560 0.710 0.247 84 3HG2 VAL 15 3HG2 VAL 15 -12.589 -0.745 1.226 85 H CYS 16 H CYS 16 -15.048 1.075 2.443 86 HA CYS 16 HA CYS 16 -15.418 -0.943 4.552 87 1HB CYS 16 2HB CYS 16 -17.696 -0.756 4.022 88 2HB CYS 16 1HB CYS 16 -17.128 0.852 3.850 89 H ASN 17 H ASN 17 -14.084 -2.706 3.838 90 HA ASN 17 HA ASN 17 -14.021 -3.419 1.027 91 1HB ASN 17 2HB ASN 17 -12.122 -3.743 2.489 92 2HB ASN 17 1HB ASN 17 -13.074 -4.734 3.560 93 1HD2 ASN 17 1HD2 ASN 17 -12.098 -6.782 3.255 94 2HD2 ASN 17 2HD2 ASN 17 -11.877 -7.538 1.751 95 H ASP 18 H ASP 18 -15.613 -4.195 0.157 96 HA ASP 18 HA ASP 18 -17.920 -5.378 1.404 97 1HB ASP 18 2HB ASP 18 -17.900 -3.941 -0.691 98 2HB ASP 18 1HB ASP 18 -17.205 -5.297 -1.548 99 H LEU 19 H LEU 19 -16.656 -7.056 2.474 100 HA LEU 19 HA LEU 19 -15.691 -9.362 1.152 101 1HB LEU 19 2HB LEU 19 -15.337 -8.395 3.570 102 2HB LEU 19 1HB LEU 19 -16.894 -9.093 3.915 103 HG LEU 19 HG LEU 19 -16.045 -11.357 3.342 104 1HD1 LEU 19 1HD1 LEU 19 -14.236 -10.572 1.795 105 2HD1 LEU 19 2HD1 LEU 19 -13.582 -11.585 3.069 106 3HD1 LEU 19 3HD1 LEU 19 -13.416 -9.832 3.156 107 1HD2 LEU 19 1HD2 LEU 19 -14.516 -9.789 5.453 108 2HD2 LEU 19 2HD2 LEU 19 -14.730 -11.536 5.438 109 3HD2 LEU 19 3HD2 LEU 19 -16.114 -10.481 5.619 110 H LYS 20 H LYS 20 -16.875 -11.579 1.677 111 HA LYS 20 HA LYS 20 -19.509 -11.403 0.473 112 1HB LYS 20 2HB LYS 20 -19.493 -13.874 0.718 113 2HB LYS 20 1HB LYS 20 -17.990 -13.296 0.028 114 1HG LYS 20 2HG LYS 20 -16.891 -13.481 2.271 115 2HG LYS 20 1HG LYS 20 -18.388 -14.116 2.939 116 1HD LYS 20 2HD LYS 20 -18.342 -16.011 1.360 117 2HD LYS 20 1HD LYS 20 -16.852 -15.408 0.658 118 1HE LYS 20 2HE LYS 20 -17.203 -16.260 3.566 119 2HE LYS 20 1HE LYS 20 -16.384 -17.189 2.318 120 1HZ LYS 20 1HZ LYS 20 -14.652 -16.127 3.304 121 2HZ LYS 20 2HZ LYS 20 -15.541 -14.719 3.643 122 3HZ LYS 20 3HZ LYS 20 -15.008 -15.027 2.060 123 H ILE 21 H ILE 21 -18.237 -12.198 3.690 124 HA ILE 21 HA ILE 21 -20.722 -11.325 4.976 125 HB ILE 21 HB ILE 21 -19.364 -14.030 5.378 126 1HG1 ILE 21 2HG1 ILE 21 -22.173 -13.394 4.345 127 2HG1 ILE 21 1HG1 ILE 21 -20.844 -14.003 3.377 128 1HG2 ILE 21 1HG2 ILE 21 -21.132 -14.420 7.111 129 2HG2 ILE 21 2HG2 ILE 21 -21.723 -12.783 6.842 130 3HG2 ILE 21 3HG2 ILE 21 -20.120 -13.051 7.513 131 1HD1 ILE 21 1HD1 ILE 21 -20.788 -16.091 4.688 132 2HD1 ILE 21 2HD1 ILE 21 -22.363 -15.831 3.958 133 3HD1 ILE 21 3HD1 ILE 21 -22.134 -15.531 5.668 134 H GLY 22 H GLY 22 -20.108 -9.965 6.571 135 1HA GLY 22 2HA GLY 22 -18.982 -9.118 8.395 136 2HA GLY 22 1HA GLY 22 -17.924 -10.502 8.318 137 H TYR 23 H TYR 23 -18.699 -7.807 6.308 138 HA TYR 23 HA TYR 23 -16.593 -7.169 4.756 139 1HB TYR 23 2HB TYR 23 -17.937 -5.033 6.398 140 2HB TYR 23 1HB TYR 23 -17.319 -4.895 4.771 141 HD1 TYR 23 1HD TYR 23 -20.276 -5.076 6.407 142 HD2 TYR 23 2HD TYR 23 -18.306 -7.076 3.221 143 HE1 TYR 23 1HE TYR 23 -22.446 -5.785 5.511 144 HE2 TYR 23 2HE TYR 23 -20.477 -7.782 2.323 145 HH TYR 23 HH TYR 23 -22.702 -8.068 2.909 146 H GLU 24 H GLU 24 -14.780 -5.684 4.838 147 HA GLU 24 HA GLU 24 -13.449 -5.765 7.491 148 1HB GLU 24 2HB GLU 24 -12.013 -5.661 4.829 149 2HB GLU 24 1HB GLU 24 -11.467 -6.095 6.408 150 1HG GLU 24 2HG GLU 24 -13.099 -7.989 6.478 151 2HG GLU 24 1HG GLU 24 -13.523 -7.583 4.823 152 H CYS 25 H CYS 25 -11.992 -4.329 8.071 153 HA CYS 25 HA CYS 25 -12.443 -1.557 7.356 154 1HB CYS 25 2HB CYS 25 -12.942 -2.247 9.692 155 2HB CYS 25 1HB CYS 25 -11.333 -2.920 9.809 156 H LEU 26 H LEU 26 -10.912 -2.443 5.466 157 HA LEU 26 HA LEU 26 -8.132 -2.810 6.195 158 1HB LEU 26 2HB LEU 26 -9.097 -2.017 3.439 159 2HB LEU 26 1HB LEU 26 -7.726 -2.942 3.900 160 HG LEU 26 HG LEU 26 -10.522 -4.024 4.300 161 1HD1 LEU 26 1HD1 LEU 26 -8.458 -4.718 2.166 162 2HD1 LEU 26 2HD1 LEU 26 -9.974 -3.879 1.887 163 3HD1 LEU 26 3HD1 LEU 26 -9.980 -5.547 2.421 164 1HD2 LEU 26 1HD2 LEU 26 -9.321 -6.134 4.764 165 2HD2 LEU 26 2HD2 LEU 26 -8.840 -4.904 5.909 166 3HD2 LEU 26 3HD2 LEU 26 -7.780 -5.323 4.572 167 H CYS 27 H CYS 27 -6.676 -1.345 4.669 168 HA CYS 27 HA CYS 27 -6.713 1.239 5.935 169 1HB CYS 27 2HB CYS 27 -4.844 -0.035 3.965 170 2HB CYS 27 1HB CYS 27 -4.553 1.505 4.737 171 HA PRO 28 HA PRO 28 -8.544 3.620 2.631 172 1HB PRO 28 2HB PRO 28 -8.110 6.057 3.641 173 2HB PRO 28 1HB PRO 28 -9.134 4.894 4.423 174 1HG PRO 28 2HG PRO 28 -6.327 5.596 5.130 175 2HG PRO 28 1HG PRO 28 -7.736 5.412 6.178 176 1HD PRO 28 2HD PRO 28 -5.894 3.429 5.771 177 2HD PRO 28 1HD PRO 28 -7.577 3.157 6.250 178 H ASP 29 H ASP 29 -5.493 4.527 3.898 179 HA ASP 29 HA ASP 29 -4.533 5.998 1.584 180 1HB ASP 29 2HB ASP 29 -2.533 6.323 2.950 181 2HB ASP 29 1HB ASP 29 -3.948 6.562 3.944 182 H GLY 30 H GLY 30 -2.068 5.498 1.187 183 1HA GLY 30 2HA GLY 30 -1.888 3.451 -0.651 184 2HA GLY 30 1HA GLY 30 -0.509 4.266 0.043 185 H PHE 31 H PHE 31 -0.538 3.408 2.650 186 HA PHE 31 HA PHE 31 0.698 0.874 2.480 187 1HB PHE 31 2HB PHE 31 -0.509 2.287 4.889 188 2HB PHE 31 1HB PHE 31 0.720 1.053 4.919 189 HD1 PHE 31 1HD PHE 31 0.487 4.453 5.244 190 HD2 PHE 31 2HD PHE 31 2.565 1.604 2.867 191 HE1 PHE 31 1HE PHE 31 2.233 6.109 4.763 192 HE2 PHE 31 2HE PHE 31 4.312 3.266 2.393 193 HZ PHE 31 HZ PHE 31 4.164 5.488 3.337 194 H GLN 32 H GLN 32 0.220 -0.975 3.738 195 HA GLN 32 HA GLN 32 -2.558 -1.947 3.221 196 1HB GLN 32 2HB GLN 32 -0.654 -3.168 2.158 197 2HB GLN 32 1HB GLN 32 0.043 -3.454 3.740 198 1HG GLN 32 2HG GLN 32 -1.949 -4.813 4.391 199 2HG GLN 32 1HG GLN 32 -2.675 -4.507 2.817 200 1HE2 GLN 32 1HE2 GLN 32 -1.835 -5.676 1.001 201 2HE2 GLN 32 2HE2 GLN 32 -0.681 -6.911 1.163 202 H LEU 33 H LEU 33 -3.556 -3.309 4.846 203 HA LEU 33 HA LEU 33 -3.078 -2.299 7.584 204 1HB LEU 33 2HB LEU 33 -5.444 -2.742 6.479 205 2HB LEU 33 1HB LEU 33 -5.105 -4.440 6.701 206 HG LEU 33 HG LEU 33 -4.652 -3.846 9.192 207 1HD1 LEU 33 1HD1 LEU 33 -6.124 -1.334 8.334 208 2HD1 LEU 33 2HD1 LEU 33 -4.461 -1.394 8.892 209 3HD1 LEU 33 3HD1 LEU 33 -5.774 -1.770 9.994 210 1HD2 LEU 33 1HD2 LEU 33 -7.491 -3.540 8.160 211 2HD2 LEU 33 2HD2 LEU 33 -7.034 -3.914 9.812 212 3HD2 LEU 33 3HD2 LEU 33 -6.684 -5.060 8.527 213 H VAL 34 H VAL 34 -0.879 -3.380 7.059 214 HA VAL 34 HA VAL 34 -0.683 -6.258 7.338 215 HB VAL 34 HB VAL 34 0.874 -5.030 5.928 216 1HG1 VAL 34 1HG1 VAL 34 1.804 -3.659 8.475 217 2HG1 VAL 34 2HG1 VAL 34 0.917 -2.900 7.158 218 3HG1 VAL 34 3HG1 VAL 34 2.546 -3.505 6.890 219 1HG2 VAL 34 1HG2 VAL 34 2.278 -6.196 8.374 220 2HG2 VAL 34 2HG2 VAL 34 3.010 -5.936 6.802 221 3HG2 VAL 34 3HG2 VAL 34 1.712 -7.104 6.980 222 H ALA 35 H ALA 35 -0.006 -3.490 9.402 223 HA ALA 35 HA ALA 35 0.827 -5.111 11.597 224 1HB ALA 35 1HB ALA 35 0.342 -2.146 11.298 225 2HB ALA 35 2HB ALA 35 1.879 -2.972 11.166 226 3HB ALA 35 3HB ALA 35 1.073 -2.875 12.725 227 H GLN 36 H GLN 36 -1.666 -5.871 10.895 228 HA GLN 36 HA GLN 36 -3.690 -6.527 11.724 229 1HB GLN 36 2HB GLN 36 -2.767 -5.210 14.335 230 2HB GLN 36 1HB GLN 36 -4.094 -6.335 14.166 231 1HG GLN 36 2HG GLN 36 -1.176 -6.978 13.544 232 2HG GLN 36 1HG GLN 36 -2.058 -7.498 14.968 233 1HE2 GLN 36 1HE2 GLN 36 -1.625 -8.044 11.526 234 2HE2 GLN 36 2HE2 GLN 36 -2.571 -9.452 11.439 235 H ARG 37 H ARG 37 -3.329 -3.425 13.422 236 HA ARG 37 HA ARG 37 -5.860 -2.483 12.126 237 1HB ARG 37 2HB ARG 37 -4.785 -1.900 14.910 238 2HB ARG 37 1HB ARG 37 -6.251 -1.205 14.253 239 1HG ARG 37 2HG ARG 37 -5.710 -4.164 14.781 240 2HG ARG 37 1HG ARG 37 -6.688 -3.118 15.788 241 1HD ARG 37 2HD ARG 37 -7.279 -3.797 12.890 242 2HD ARG 37 1HD ARG 37 -8.095 -4.470 14.303 243 HE ARG 37 HE ARG 37 -8.445 -1.811 14.710 244 1HH1 ARG 37 2HH1 ARG 37 -8.925 -3.816 11.913 245 2HH1 ARG 37 1HH1 ARG 37 -10.202 -2.827 11.295 246 1HH2 ARG 37 1HH2 ARG 37 -10.057 -0.554 13.938 247 2HH2 ARG 37 2HH2 ARG 37 -10.857 -0.956 12.458 248 H ARG 38 H ARG 38 -2.622 -2.081 12.342 249 HA ARG 38 HA ARG 38 -2.649 0.845 11.758 250 1HB ARG 38 2HB ARG 38 -1.136 0.345 13.542 251 2HB ARG 38 1HB ARG 38 -0.457 -1.040 12.740 252 1HG ARG 38 2HG ARG 38 0.490 0.555 10.967 253 2HG ARG 38 1HG ARG 38 -0.195 1.895 11.869 254 1HD ARG 38 2HD ARG 38 1.275 1.363 13.797 255 2HD ARG 38 1HD ARG 38 1.860 -0.077 12.971 256 HE ARG 38 HE ARG 38 3.289 1.273 11.717 257 1HH1 ARG 38 2HH1 ARG 38 0.770 3.225 13.084 258 2HH1 ARG 38 1HH1 ARG 38 1.486 4.708 12.547 259 1HH2 ARG 38 1HH2 ARG 38 4.201 3.125 11.031 260 2HH2 ARG 38 2HH2 ARG 38 3.460 4.652 11.371 261 H CYS 39 H CYS 39 -2.014 1.592 9.893 262 HA CYS 39 HA CYS 39 -1.657 -0.291 7.669 263 1HB CYS 39 2HB CYS 39 -2.253 2.660 7.713 264 2HB CYS 39 1HB CYS 39 -2.217 1.660 6.277 265 H GLU 40 H GLU 40 0.316 -0.791 7.008 266 HA GLU 40 HA GLU 40 2.306 1.367 6.610 267 1HB GLU 40 2HB GLU 40 2.771 0.284 8.875 268 2HB GLU 40 1HB GLU 40 2.964 -1.246 8.053 269 1HG GLU 40 2HG GLU 40 4.864 -0.449 6.769 270 2HG GLU 40 1HG GLU 40 4.631 1.204 7.278 271 H ASP 41 H ASP 41 4.037 0.739 5.240 272 HA ASP 41 HA ASP 41 3.128 -0.813 2.960 273 1HB ASP 41 2HB ASP 41 4.496 1.241 2.617 274 2HB ASP 41 1HB ASP 41 5.790 0.552 3.545 275 H ILE 42 H ILE 42 4.476 -2.439 1.973 276 HA ILE 42 HA ILE 42 4.940 -4.617 3.687 277 HB ILE 42 HB ILE 42 4.422 -4.847 1.244 278 1HG1 ILE 42 2HG1 ILE 42 7.116 -6.108 1.981 279 2HG1 ILE 42 1HG1 ILE 42 5.559 -6.723 2.499 280 1HG2 ILE 42 1HG2 ILE 42 7.285 -3.835 0.813 281 2HG2 ILE 42 2HG2 ILE 42 5.827 -2.944 0.427 282 3HG2 ILE 42 3HG2 ILE 42 6.213 -4.402 -0.450 283 1HD1 ILE 42 1HD1 ILE 42 6.396 -7.965 0.541 284 2HD1 ILE 42 2HD1 ILE 42 6.492 -6.491 -0.400 285 3HD1 ILE 42 3HD1 ILE 42 4.928 -7.096 0.120 286 H ASP 43 H ASP 43 6.999 -5.618 4.310 287 HA ASP 43 HA ASP 43 9.097 -3.590 4.781 288 1HB ASP 43 2HB ASP 43 8.308 -5.112 6.627 289 2HB ASP 43 1HB ASP 43 8.977 -6.476 5.754 290 H GLU 44 H GLU 44 10.204 -3.292 3.079 291 HA GLU 44 HA GLU 44 11.177 -5.380 1.287 292 1HB GLU 44 2HB GLU 44 12.199 -3.375 0.043 293 2HB GLU 44 1HB GLU 44 10.460 -3.313 0.229 294 1HG GLU 44 2HG GLU 44 12.459 -1.918 2.026 295 2HG GLU 44 1HG GLU 44 11.698 -1.176 0.629 296 H CYS 45 H CYS 45 12.356 -4.048 4.245 297 HA CYS 45 HA CYS 45 15.101 -3.973 3.586 298 1HB CYS 45 2HB CYS 45 13.692 -4.367 6.238 299 2HB CYS 45 1HB CYS 45 15.394 -4.310 6.080 300 H GLN 46 H GLN 46 13.298 -6.163 5.563 301 HA GLN 46 HA GLN 46 14.941 -8.297 5.976 302 1HB GLN 46 2HB GLN 46 11.957 -8.303 5.380 303 2HB GLN 46 1HB GLN 46 12.809 -9.622 6.154 304 1HG GLN 46 2HG GLN 46 13.459 -8.134 8.032 305 2HG GLN 46 1HG GLN 46 12.695 -6.760 7.258 306 1HE2 GLN 46 1HE2 GLN 46 12.142 -8.555 9.805 307 2HE2 GLN 46 2HE2 GLN 46 10.461 -8.778 9.726 308 H ASP 47 H ASP 47 12.913 -7.731 3.186 309 HA ASP 47 HA ASP 47 13.688 -10.095 1.800 310 1HB ASP 47 2HB ASP 47 11.459 -9.126 1.440 311 2HB ASP 47 1HB ASP 47 12.175 -7.626 0.878 312 HA PRO 48 HA PRO 48 17.505 -8.403 0.150 313 1HB PRO 48 2HB PRO 48 16.935 -10.080 -2.281 314 2HB PRO 48 1HB PRO 48 18.344 -10.068 -1.250 315 1HG PRO 48 2HG PRO 48 16.580 -12.047 -1.114 316 2HG PRO 48 1HG PRO 48 17.391 -11.437 0.338 317 1HD PRO 48 2HD PRO 48 14.597 -10.957 -0.611 318 2HD PRO 48 1HD PRO 48 15.229 -11.194 1.031 319 H ASP 49 H ASP 49 16.843 -6.324 -0.144 320 HA ASP 49 HA ASP 49 16.312 -5.485 -2.914 321 1HB ASP 49 2HB ASP 49 14.071 -5.735 -1.928 322 2HB ASP 49 1HB ASP 49 14.585 -4.812 -0.528 323 H THR 50 H THR 50 16.814 -4.486 0.429 324 HA THR 50 HA THR 50 17.988 -1.932 -0.331 325 HB THR 50 HB THR 50 18.158 -1.729 2.226 326 HG1 THR 50 1HG THR 50 17.178 -3.478 3.331 327 1HG2 THR 50 1HG2 THR 50 15.464 -2.780 1.207 328 2HG2 THR 50 2HG2 THR 50 16.035 -1.129 1.002 329 3HG2 THR 50 3HG2 THR 50 15.707 -1.754 2.610 330 H CYS 51 H CYS 51 19.566 -3.325 2.325 331 HA CYS 51 HA CYS 51 22.051 -3.701 0.735 332 1HB CYS 51 2HB CYS 51 21.478 -2.665 3.508 333 2HB CYS 51 1HB CYS 51 23.081 -2.973 2.907 334 H SER 52 H SER 52 23.633 -5.276 1.653 335 HA SER 52 HA SER 52 22.492 -7.824 1.962 336 1HB SER 52 2HB SER 52 25.292 -6.892 2.719 337 2HB SER 52 1HB SER 52 24.792 -8.553 2.412 338 HG SER 52 HG SER 52 25.623 -7.503 0.540 339 H GLN 53 H GLN 53 23.156 -5.448 4.369 340 HA GLN 53 HA GLN 53 22.500 -7.467 6.482 341 1HB GLN 53 2HB GLN 53 24.392 -5.098 6.672 342 2HB GLN 53 1HB GLN 53 23.981 -6.176 7.989 343 1HG GLN 53 2HG GLN 53 25.352 -6.978 5.392 344 2HG GLN 53 1HG GLN 53 26.123 -6.826 6.960 345 1HE2 GLN 53 1HE2 GLN 53 24.218 -8.153 8.619 346 2HE2 GLN 53 2HE2 GLN 53 24.156 -9.784 8.153 347 H LEU 54 H LEU 54 22.834 -4.746 8.147 348 HA LEU 54 HA LEU 54 20.159 -4.515 8.800 349 1HB LEU 54 2HB LEU 54 22.339 -2.495 9.033 350 2HB LEU 54 1HB LEU 54 20.780 -2.389 9.843 351 HG LEU 54 HG LEU 54 22.992 -4.385 10.342 352 1HD1 LEU 54 1HD1 LEU 54 23.127 -2.058 11.240 353 2HD1 LEU 54 2HD1 LEU 54 22.853 -3.225 12.541 354 3HD1 LEU 54 3HD1 LEU 54 21.523 -2.249 11.922 355 1HD2 LEU 54 1HD2 LEU 54 21.493 -5.301 12.060 356 2HD2 LEU 54 2HD2 LEU 54 20.731 -5.486 10.489 357 3HD2 LEU 54 3HD2 LEU 54 20.212 -4.193 11.566 358 H CYS 55 H CYS 55 18.882 -2.942 8.909 359 HA CYS 55 HA CYS 55 18.689 -0.764 6.980 360 1HB CYS 55 2HB CYS 55 18.198 -2.737 5.576 361 2HB CYS 55 1HB CYS 55 16.979 -3.255 6.662 362 H VAL 56 H VAL 56 16.061 -0.179 7.000 363 HA VAL 56 HA VAL 56 14.834 -0.478 9.615 364 HB VAL 56 HB VAL 56 16.530 1.216 10.181 365 1HG1 VAL 56 1HG1 VAL 56 15.419 2.971 7.954 366 2HG1 VAL 56 2HG1 VAL 56 16.994 2.194 7.980 367 3HG1 VAL 56 3HG1 VAL 56 16.611 3.439 9.145 368 1HG2 VAL 56 1HG2 VAL 56 14.340 1.447 11.259 369 2HG2 VAL 56 2HG2 VAL 56 13.764 2.461 9.946 370 3HG2 VAL 56 3HG2 VAL 56 15.048 3.031 10.997 371 H ASN 57 H ASN 57 13.049 -1.003 8.903 372 HA ASN 57 HA ASN 57 11.617 0.116 6.619 373 1HB ASN 57 2HB ASN 57 11.676 -2.340 7.053 374 2HB ASN 57 1HB ASN 57 10.885 -2.044 8.591 375 1HD2 ASN 57 1HD2 ASN 57 8.947 -3.145 8.244 376 2HD2 ASN 57 2HD2 ASN 57 7.830 -2.708 7.044 377 H LEU 58 H LEU 58 9.506 0.669 6.702 378 HA LEU 58 HA LEU 58 7.713 1.375 8.738 379 1HB LEU 58 2HB LEU 58 7.958 3.826 9.014 380 2HB LEU 58 1HB LEU 58 9.394 3.044 9.566 381 HG LEU 58 HG LEU 58 9.321 4.079 6.709 382 1HD1 LEU 58 1HD1 LEU 58 10.301 6.194 7.521 383 2HD1 LEU 58 2HD1 LEU 58 10.124 5.678 9.192 384 3HD1 LEU 58 3HD1 LEU 58 8.698 6.000 8.208 385 1HD2 LEU 58 1HD2 LEU 58 11.758 4.322 7.198 386 2HD2 LEU 58 2HD2 LEU 58 11.271 2.688 7.552 387 3HD2 LEU 58 3HD2 LEU 58 11.472 3.828 8.859 388 H GLU 59 H GLU 59 6.877 3.819 7.676 389 HA GLU 59 HA GLU 59 5.435 2.927 5.301 390 1HB GLU 59 2HB GLU 59 5.352 5.391 7.054 391 2HB GLU 59 1HB GLU 59 4.541 5.462 5.542 392 1HG GLU 59 2HG GLU 59 2.837 4.805 7.120 393 2HG GLU 59 1HG GLU 59 3.267 3.340 6.304 394 H GLY 60 H GLY 60 6.530 2.821 3.565 395 1HA GLY 60 2HA GLY 60 7.570 3.453 1.617 396 2HA GLY 60 1HA GLY 60 7.388 5.107 2.181 397 H GLY 61 H GLY 61 8.704 4.359 4.698 398 1HA GLY 61 2HA GLY 61 11.407 5.037 3.845 399 2HA GLY 61 1HA GLY 61 10.801 5.000 5.494 400 H TYR 62 H TYR 62 12.735 3.701 3.539 401 HA TYR 62 HA TYR 62 13.070 1.141 5.035 402 1HB TYR 62 2HB TYR 62 12.977 -0.289 3.117 403 2HB TYR 62 1HB TYR 62 11.563 0.749 2.984 404 HD1 TYR 62 1HD TYR 62 12.209 3.129 1.609 405 HD2 TYR 62 2HD TYR 62 14.001 -0.694 1.137 406 HE1 TYR 62 1HE TYR 62 12.973 3.745 -0.618 407 HE2 TYR 62 2HE TYR 62 14.773 -0.094 -1.077 408 HH TYR 62 HH TYR 62 13.784 1.784 -2.913 409 H LYS 63 H LYS 63 14.830 2.657 5.758 410 HA LYS 63 HA LYS 63 16.905 3.119 3.688 411 1HB LYS 63 2HB LYS 63 16.842 3.997 6.555 412 2HB LYS 63 1HB LYS 63 17.949 4.484 5.327 413 1HG LYS 63 2HG LYS 63 16.150 5.477 3.957 414 2HG LYS 63 1HG LYS 63 14.962 5.009 5.159 415 1HD LYS 63 2HD LYS 63 16.100 6.431 6.856 416 2HD LYS 63 1HD LYS 63 17.295 6.905 5.664 417 1HE LYS 63 2HE LYS 63 14.296 7.436 5.449 418 2HE LYS 63 1HE LYS 63 15.515 8.629 5.869 419 1HZ LYS 63 1HZ LYS 63 15.063 7.284 3.292 420 2HZ LYS 63 2HZ LYS 63 16.578 7.955 3.662 421 3HZ LYS 63 3HZ LYS 63 15.198 8.944 3.628 422 H CYS 64 H CYS 64 18.991 2.655 4.000 423 HA CYS 64 HA CYS 64 19.518 0.035 5.211 424 1HB CYS 64 2HB CYS 64 21.127 1.817 3.442 425 2HB CYS 64 1HB CYS 64 21.779 0.386 4.130 426 H GLN 65 H GLN 65 21.398 -0.412 6.155 427 HA GLN 65 HA GLN 65 23.113 1.398 7.684 428 1HB GLN 65 2HB GLN 65 21.565 -0.695 9.229 429 2HB GLN 65 1HB GLN 65 22.598 0.531 9.859 430 1HG GLN 65 2HG GLN 65 21.018 2.324 9.272 431 2HG GLN 65 1HG GLN 65 19.901 1.135 8.606 432 1HE2 GLN 65 1HE2 GLN 65 21.420 2.224 11.635 433 2HE2 GLN 65 2HE2 GLN 65 20.282 1.492 12.659 434 H CYS 66 H CYS 66 24.396 -0.579 9.123 435 HA CYS 66 HA CYS 66 24.730 -2.866 7.302 436 1HB CYS 66 2HB CYS 66 26.955 -1.133 8.286 437 2HB CYS 66 1HB CYS 66 27.041 -2.534 7.347 438 H GLU 67 H GLU 67 26.196 -4.515 8.119 439 HA GLU 67 HA GLU 67 25.670 -5.061 10.974 440 1HB GLU 67 2HB GLU 67 25.446 -6.839 9.129 441 2HB GLU 67 1HB GLU 67 27.171 -6.771 8.916 442 1HG GLU 67 2HG GLU 67 25.727 -7.603 11.471 443 2HG GLU 67 1HG GLU 67 26.449 -8.697 10.317 444 H GLU 68 H GLU 68 26.950 -3.338 11.725 445 HA GLU 68 HA GLU 68 28.838 -2.243 12.484 446 1HB GLU 68 2HB GLU 68 29.688 -5.143 12.837 447 2HB GLU 68 1HB GLU 68 30.429 -3.794 13.659 448 1HG GLU 68 2HG GLU 68 27.502 -4.649 13.903 449 2HG GLU 68 1HG GLU 68 28.750 -4.913 15.103 450 H GLY 69 H GLY 69 30.628 -4.935 11.191 451 1HA GLY 69 2HA GLY 69 32.841 -3.419 10.340 452 2HA GLY 69 1HA GLY 69 32.573 -5.108 9.985 453 H PHE 70 H PHE 70 29.903 -4.214 8.661 454 HA PHE 70 HA PHE 70 31.036 -4.060 6.072 455 1HB PHE 70 2HB PHE 70 28.238 -3.949 7.119 456 2HB PHE 70 1HB PHE 70 28.554 -3.800 5.403 457 HD1 PHE 70 1HD PHE 70 27.407 -5.748 4.668 458 HD2 PHE 70 2HD PHE 70 30.297 -6.147 7.771 459 HE1 PHE 70 1HE PHE 70 27.259 -8.183 4.513 460 HE2 PHE 70 2HE PHE 70 30.137 -8.571 7.620 461 HZ PHE 70 HZ PHE 70 28.624 -9.609 5.981 462 H GLN 71 H GLN 71 30.627 -2.422 4.515 463 HA GLN 71 HA GLN 71 30.064 0.259 5.544 464 1HB GLN 71 2HB GLN 71 32.410 -0.783 4.007 465 2HB GLN 71 1HB GLN 71 31.909 0.835 3.690 466 1HG GLN 71 2HG GLN 71 32.578 -0.243 6.474 467 2HG GLN 71 1HG GLN 71 33.663 0.746 5.497 468 1HE2 GLN 71 1HE2 GLN 71 32.851 1.760 7.965 469 2HE2 GLN 71 2HE2 GLN 71 31.766 3.047 7.744 470 H LEU 72 H LEU 72 29.921 1.801 3.899 471 HA LEU 72 HA LEU 72 27.788 0.957 2.053 472 1HB LEU 72 2HB LEU 72 27.683 3.141 3.277 473 2HB LEU 72 1HB LEU 72 29.070 3.701 2.365 474 HG LEU 72 HG LEU 72 27.752 3.236 0.232 475 1HD1 LEU 72 1HD1 LEU 72 26.101 1.622 1.111 476 2HD1 LEU 72 2HD1 LEU 72 25.296 3.004 0.402 477 3HD1 LEU 72 3HD1 LEU 72 25.418 2.864 2.145 478 1HD2 LEU 72 1HD2 LEU 72 26.498 5.208 2.193 479 2HD2 LEU 72 2HD2 LEU 72 26.323 5.268 0.444 480 3HD2 LEU 72 3HD2 LEU 72 27.898 5.529 1.180 481 H ASP 73 H ASP 73 28.587 -0.219 0.457 482 HA ASP 73 HA ASP 73 31.069 0.339 -0.941 483 1HB ASP 73 2HB ASP 73 30.066 -1.963 -0.777 484 2HB ASP 73 1HB ASP 73 28.731 -1.455 -1.795 485 HA PRO 74 HA PRO 74 29.149 3.426 -3.575 486 1HB PRO 74 2HB PRO 74 31.170 3.982 -5.232 487 2HB PRO 74 1HB PRO 74 31.288 4.367 -3.532 488 1HG PRO 74 2HG PRO 74 32.394 1.983 -4.963 489 2HG PRO 74 1HG PRO 74 33.180 3.062 -3.798 490 1HD PRO 74 2HD PRO 74 32.123 0.650 -3.103 491 2HD PRO 74 1HD PRO 74 32.228 2.022 -1.982 492 H HIS 75 H HIS 75 28.608 3.810 -5.772 493 HA HIS 75 HA HIS 75 27.631 3.230 -7.807 494 1HB HIS 75 2HB HIS 75 29.756 1.034 -7.796 495 2HB HIS 75 1HB HIS 75 28.839 1.574 -9.196 496 HD1 HIS 75 1HD HIS 75 31.476 2.778 -6.875 497 HD2 HIS 75 2HD HIS 75 29.683 4.026 -10.324 498 HE1 HIS 75 1HE HIS 75 32.797 4.696 -7.690 499 H THR 76 H THR 76 27.334 1.494 -5.190 500 HA THR 76 HA THR 76 25.217 -0.315 -6.237 501 HB THR 76 HB THR 76 25.951 -2.009 -4.470 502 HG1 THR 76 1HG THR 76 28.119 -0.209 -4.278 503 1HG2 THR 76 1HG2 THR 76 28.069 -2.772 -5.568 504 2HG2 THR 76 2HG2 THR 76 28.319 -1.187 -6.276 505 3HG2 THR 76 3HG2 THR 76 27.003 -2.203 -6.842 506 H LYS 77 H LYS 77 26.728 1.336 -3.651 507 HA LYS 77 HA LYS 77 25.975 2.456 -1.744 508 1HB LYS 77 2HB LYS 77 23.411 2.347 -3.166 509 2HB LYS 77 1HB LYS 77 23.730 3.397 -1.809 510 1HG LYS 77 2HG LYS 77 25.625 4.440 -3.096 511 2HG LYS 77 1HG LYS 77 25.224 3.445 -4.484 512 1HD LYS 77 2HD LYS 77 22.965 4.489 -4.588 513 2HD LYS 77 1HD LYS 77 23.372 5.502 -3.213 514 1HE LYS 77 2HE LYS 77 24.845 5.496 -5.888 515 2HE LYS 77 1HE LYS 77 23.721 6.732 -5.348 516 1HZ LYS 77 1HZ LYS 77 26.464 6.278 -4.591 517 2HZ LYS 77 2HZ LYS 77 25.426 6.639 -3.296 518 3HZ LYS 77 3HZ LYS 77 25.557 7.713 -4.605 519 H ALA 78 H ALA 78 25.816 -0.503 -2.163 520 HA ALA 78 HA ALA 78 23.793 -1.319 -0.137 521 1HB ALA 78 1HB ALA 78 24.223 -3.606 -1.013 522 2HB ALA 78 2HB ALA 78 25.454 -2.957 -2.086 523 3HB ALA 78 3HB ALA 78 23.770 -2.510 -2.313 524 H CYS 79 H CYS 79 24.443 -2.537 1.669 525 HA CYS 79 HA CYS 79 27.155 -1.960 2.589 526 1HB CYS 79 2HB CYS 79 24.928 -3.437 3.957 527 2HB CYS 79 1HB CYS 79 26.474 -3.125 4.674 528 H LYS 80 H LYS 80 28.722 -3.315 3.098 529 HA LYS 80 HA LYS 80 28.443 -6.213 2.961 530 1HB LYS 80 2HB LYS 80 30.123 -6.550 1.477 531 2HB LYS 80 1HB LYS 80 28.734 -5.873 0.615 532 1HG LYS 80 2HG LYS 80 29.875 -3.577 0.743 533 2HG LYS 80 1HG LYS 80 31.313 -4.357 1.367 534 1HD LYS 80 2HD LYS 80 30.072 -4.897 -1.353 535 2HD LYS 80 1HD LYS 80 31.515 -3.952 -1.045 536 1HE LYS 80 2HE LYS 80 32.652 -5.957 -0.101 537 2HE LYS 80 1HE LYS 80 31.219 -6.923 -0.430 538 1HZ LYS 80 1HZ LYS 80 33.296 -6.411 -2.136 539 2HZ LYS 80 2HZ LYS 80 32.006 -5.485 -2.734 540 3HZ LYS 80 3HZ LYS 80 31.819 -7.158 -2.515 541 H ALA 81 H ALA 81 30.373 -7.268 3.794 542 HA ALA 81 HA ALA 81 31.764 -6.068 5.885 543 1HB ALA 81 1HB ALA 81 33.398 -7.929 5.666 544 2HB ALA 81 2HB ALA 81 32.779 -8.282 4.059 545 3HB ALA 81 3HB ALA 81 31.753 -8.509 5.464 546 H VAL 82 H VAL 82 33.099 -4.394 5.947 547 HA VAL 82 HA VAL 82 34.165 -2.969 3.858 548 HB VAL 82 HB VAL 82 34.141 -2.197 6.207 549 1HG1 VAL 82 1HG1 VAL 82 34.880 -4.329 7.303 550 2HG1 VAL 82 2HG1 VAL 82 35.880 -2.981 7.811 551 3HG1 VAL 82 3HG1 VAL 82 36.479 -4.126 6.623 552 1HG2 VAL 82 1HG2 VAL 82 36.335 -1.046 6.247 553 2HG2 VAL 82 2HG2 VAL 82 35.632 -1.020 4.640 554 3HG2 VAL 82 3HG2 VAL 82 36.940 -2.132 5.009 Start of MODEL 27 1 H GLY 1 H GLY 1 -20.292 0.294 1.053 2 1HA GLY 1 2HA GLY 1 -22.013 1.779 -0.791 3 2HA GLY 1 1HA GLY 1 -22.483 0.095 -0.553 4 H THR 2 H THR 2 -24.239 1.924 0.101 5 HA THR 2 HA THR 2 -25.517 3.003 1.756 6 HB THR 2 HB THR 2 -26.064 0.571 1.642 7 HG1 THR 2 1HG THR 2 -27.294 0.737 3.479 8 1HG2 THR 2 1HG2 THR 2 -23.977 -0.320 2.784 9 2HG2 THR 2 2HG2 THR 2 -25.459 -0.813 3.589 10 3HG2 THR 2 3HG2 THR 2 -24.502 0.511 4.242 11 H ASN 3 H ASN 3 -25.546 2.531 4.515 12 HA ASN 3 HA ASN 3 -23.491 4.431 5.320 13 1HB ASN 3 2HB ASN 3 -25.918 4.605 6.089 14 2HB ASN 3 1HB ASN 3 -25.747 3.076 6.926 15 1HD2 ASN 3 1HD2 ASN 3 -24.347 6.391 6.883 16 2HD2 ASN 3 2HD2 ASN 3 -24.032 6.440 8.551 17 H GLU 4 H GLU 4 -22.657 1.836 4.660 18 HA GLU 4 HA GLU 4 -21.507 0.738 7.153 19 1HB GLU 4 2HB GLU 4 -21.462 -0.105 4.222 20 2HB GLU 4 1HB GLU 4 -20.569 -0.948 5.468 21 1HG GLU 4 2HG GLU 4 -22.600 -1.453 6.698 22 2HG GLU 4 1HG GLU 4 -23.580 -0.425 5.697 23 H CYS 5 H CYS 5 -20.683 2.520 4.245 24 HA CYS 5 HA CYS 5 -17.881 2.601 4.812 25 1HB CYS 5 2HB CYS 5 -19.619 4.114 2.855 26 2HB CYS 5 1HB CYS 5 -17.887 4.229 2.892 27 H LEU 6 H LEU 6 -20.675 4.621 4.975 28 HA LEU 6 HA LEU 6 -19.624 7.051 5.823 29 1HB LEU 6 2HB LEU 6 -22.272 5.764 6.459 30 2HB LEU 6 1HB LEU 6 -21.935 7.462 6.633 31 HG LEU 6 HG LEU 6 -21.910 5.830 4.031 32 1HD1 LEU 6 1HD1 LEU 6 -23.844 7.266 3.411 33 2HD1 LEU 6 2HD1 LEU 6 -23.755 8.063 4.976 34 3HD1 LEU 6 3HD1 LEU 6 -24.184 6.366 4.877 35 1HD2 LEU 6 1HD2 LEU 6 -20.190 7.651 3.905 36 2HD2 LEU 6 2HD2 LEU 6 -21.407 8.828 4.370 37 3HD2 LEU 6 3HD2 LEU 6 -21.537 7.979 2.839 38 H ASP 7 H ASP 7 -20.691 4.263 7.593 39 HA ASP 7 HA ASP 7 -19.904 5.405 10.251 40 1HB ASP 7 2HB ASP 7 -22.159 4.187 9.861 41 2HB ASP 7 1HB ASP 7 -21.195 2.752 9.537 42 H ASN 8 H ASN 8 -19.151 2.973 11.375 43 HA ASN 8 HA ASN 8 -16.432 2.805 10.916 44 1HB ASN 8 2HB ASN 8 -18.333 0.789 11.848 45 2HB ASN 8 1HB ASN 8 -16.605 0.580 12.044 46 1HD2 ASN 8 1HD2 ASN 8 -19.445 2.257 13.269 47 2HD2 ASN 8 2HD2 ASN 8 -18.660 3.073 14.530 48 H ASN 9 H ASN 9 -15.500 2.348 9.050 49 HA ASN 9 HA ASN 9 -16.424 1.492 6.656 50 1HB ASN 9 2HB ASN 9 -14.174 2.315 7.158 51 2HB ASN 9 1HB ASN 9 -13.806 0.763 7.914 52 1HD2 ASN 9 1HD2 ASN 9 -13.427 -1.038 6.656 53 2HD2 ASN 9 2HD2 ASN 9 -13.112 -0.940 5.002 54 H GLY 10 H GLY 10 -18.066 -0.068 6.999 55 1HA GLY 10 2HA GLY 10 -18.976 -2.185 6.849 56 2HA GLY 10 1HA GLY 10 -17.403 -2.676 6.246 57 H GLY 11 H GLY 11 -17.012 -1.303 9.212 58 1HA GLY 11 2HA GLY 11 -17.721 -2.649 11.355 59 2HA GLY 11 1HA GLY 11 -16.731 -3.905 10.609 60 H CYS 12 H CYS 12 -14.811 -2.089 9.462 61 HA CYS 12 HA CYS 12 -13.269 -1.338 11.883 62 1HB CYS 12 2HB CYS 12 -11.368 -1.695 10.499 63 2HB CYS 12 1HB CYS 12 -12.421 -3.070 10.275 64 H SER 13 H SER 13 -11.618 0.029 9.603 65 HA SER 13 HA SER 13 -13.138 2.398 8.896 66 1HB SER 13 2HB SER 13 -11.706 3.953 10.209 67 2HB SER 13 1HB SER 13 -12.580 2.841 11.271 68 HG SER 13 HG SER 13 -9.925 2.522 10.298 69 H HIS 14 H HIS 14 -11.800 0.321 7.607 70 HA HIS 14 HA HIS 14 -9.451 1.582 6.296 71 1HB HIS 14 2HB HIS 14 -10.333 -1.323 6.463 72 2HB HIS 14 1HB HIS 14 -8.893 -0.721 5.686 73 HD1 HIS 14 1HD HIS 14 -9.066 -2.562 8.307 74 HD2 HIS 14 2HD HIS 14 -8.048 1.392 8.235 75 HE1 HIS 14 1HE HIS 14 -7.768 -2.141 10.360 76 H VAL 15 H VAL 15 -10.776 -1.038 4.577 77 HA VAL 15 HA VAL 15 -11.933 0.774 2.496 78 HB VAL 15 HB VAL 15 -10.732 -2.001 2.234 79 1HG1 VAL 15 1HG1 VAL 15 -11.024 -1.696 -0.229 80 2HG1 VAL 15 2HG1 VAL 15 -11.844 -0.168 0.050 81 3HG1 VAL 15 3HG1 VAL 15 -12.576 -1.671 0.576 82 1HG2 VAL 15 1HG2 VAL 15 -9.004 -0.857 0.917 83 2HG2 VAL 15 2HG2 VAL 15 -9.048 -0.236 2.563 84 3HG2 VAL 15 3HG2 VAL 15 -9.755 0.696 1.247 85 H CYS 16 H CYS 16 -14.085 0.797 2.637 86 HA CYS 16 HA CYS 16 -15.610 -1.446 3.686 87 1HB CYS 16 2HB CYS 16 -17.505 0.024 3.259 88 2HB CYS 16 1HB CYS 16 -16.264 0.906 4.087 89 H ASN 17 H ASN 17 -14.920 -3.073 2.222 90 HA ASN 17 HA ASN 17 -15.729 -2.765 -0.626 91 1HB ASN 17 2HB ASN 17 -13.526 -3.533 -0.341 92 2HB ASN 17 1HB ASN 17 -13.885 -4.624 0.950 93 1HD2 ASN 17 1HD2 ASN 17 -13.936 -6.765 0.175 94 2HD2 ASN 17 2HD2 ASN 17 -14.330 -7.238 -1.400 95 H ASP 18 H ASP 18 -17.621 -2.503 0.181 96 HA ASP 18 HA ASP 18 -19.389 -4.034 1.674 97 1HB ASP 18 2HB ASP 18 -19.700 -1.706 0.835 98 2HB ASP 18 1HB ASP 18 -20.036 -2.329 -0.766 99 H LEU 19 H LEU 19 -19.064 -6.118 1.308 100 HA LEU 19 HA LEU 19 -19.338 -7.587 -1.091 101 1HB LEU 19 2HB LEU 19 -18.291 -8.125 1.281 102 2HB LEU 19 1HB LEU 19 -19.928 -8.496 1.728 103 HG LEU 19 HG LEU 19 -20.073 -10.275 0.016 104 1HD1 LEU 19 1HD1 LEU 19 -17.120 -9.591 -0.316 105 2HD1 LEU 19 2HD1 LEU 19 -18.347 -9.280 -1.530 106 3HD1 LEU 19 3HD1 LEU 19 -17.950 -10.933 -1.100 107 1HD2 LEU 19 1HD2 LEU 19 -18.604 -11.814 1.280 108 2HD2 LEU 19 2HD2 LEU 19 -19.433 -10.702 2.349 109 3HD2 LEU 19 3HD2 LEU 19 -17.743 -10.436 1.961 110 H LYS 20 H LYS 20 -21.154 -9.393 -1.105 111 HA LYS 20 HA LYS 20 -23.702 -7.990 -1.247 112 1HB LYS 20 2HB LYS 20 -24.528 -10.173 -2.108 113 2HB LYS 20 1HB LYS 20 -23.045 -9.705 -2.916 114 1HG LYS 20 2HG LYS 20 -21.751 -11.251 -1.415 115 2HG LYS 20 1HG LYS 20 -23.260 -11.759 -0.671 116 1HD LYS 20 2HD LYS 20 -24.114 -12.554 -2.839 117 2HD LYS 20 1HD LYS 20 -22.628 -12.048 -3.624 118 1HE LYS 20 2HE LYS 20 -21.332 -13.616 -2.178 119 2HE LYS 20 1HE LYS 20 -22.825 -14.125 -1.399 120 1HZ LYS 20 1HZ LYS 20 -22.781 -15.683 -2.970 121 2HZ LYS 20 2HZ LYS 20 -21.776 -14.787 -4.007 122 3HZ LYS 20 3HZ LYS 20 -23.444 -14.472 -3.961 123 H ILE 21 H ILE 21 -22.261 -10.583 0.694 124 HA ILE 21 HA ILE 21 -23.973 -9.950 2.998 125 HB ILE 21 HB ILE 21 -23.614 -12.710 1.737 126 1HG1 ILE 21 2HG1 ILE 21 -26.141 -11.012 2.067 127 2HG1 ILE 21 1HG1 ILE 21 -25.321 -11.326 0.551 128 1HG2 ILE 21 1HG2 ILE 21 -25.061 -13.500 3.625 129 2HG2 ILE 21 2HG2 ILE 21 -25.072 -11.861 4.271 130 3HG2 ILE 21 3HG2 ILE 21 -23.575 -12.783 4.210 131 1HD1 ILE 21 1HD1 ILE 21 -27.264 -12.794 0.769 132 2HD1 ILE 21 2HD1 ILE 21 -26.639 -13.469 2.259 133 3HD1 ILE 21 3HD1 ILE 21 -25.784 -13.739 0.747 134 H GLY 22 H GLY 22 -22.377 -9.409 4.427 135 1HA GLY 22 2HA GLY 22 -20.752 -10.008 6.027 136 2HA GLY 22 1HA GLY 22 -20.236 -11.284 4.952 137 H TYR 23 H TYR 23 -20.697 -7.908 4.592 138 HA TYR 23 HA TYR 23 -18.942 -6.931 2.813 139 1HB TYR 23 2HB TYR 23 -19.183 -5.537 5.459 140 2HB TYR 23 1HB TYR 23 -19.021 -4.827 3.867 141 HD1 TYR 23 1HD TYR 23 -21.334 -5.767 6.313 142 HD2 TYR 23 2HD TYR 23 -20.926 -5.513 2.097 143 HE1 TYR 23 1HE TYR 23 -23.779 -5.768 6.081 144 HE2 TYR 23 2HE TYR 23 -23.366 -5.518 1.858 145 HH TYR 23 HH TYR 23 -25.446 -4.913 4.341 146 H GLU 24 H GLU 24 -16.902 -5.949 2.734 147 HA GLU 24 HA GLU 24 -14.919 -7.200 4.531 148 1HB GLU 24 2HB GLU 24 -14.715 -6.180 1.744 149 2HB GLU 24 1HB GLU 24 -13.406 -6.892 2.631 150 1HG GLU 24 2HG GLU 24 -16.011 -8.236 1.837 151 2HG GLU 24 1HG GLU 24 -14.446 -8.522 1.099 152 H CYS 25 H CYS 25 -13.055 -6.287 4.868 153 HA CYS 25 HA CYS 25 -12.812 -3.405 5.087 154 1HB CYS 25 2HB CYS 25 -13.342 -4.305 7.338 155 2HB CYS 25 1HB CYS 25 -12.121 -5.546 7.147 156 H LEU 26 H LEU 26 -11.594 -3.763 3.014 157 HA LEU 26 HA LEU 26 -9.172 -5.395 3.150 158 1HB LEU 26 2HB LEU 26 -9.796 -3.428 0.946 159 2HB LEU 26 1HB LEU 26 -8.919 -4.911 0.905 160 HG LEU 26 HG LEU 26 -11.897 -4.837 1.323 161 1HD1 LEU 26 1HD1 LEU 26 -11.323 -4.203 -0.979 162 2HD1 LEU 26 2HD1 LEU 26 -12.007 -5.813 -0.973 163 3HD1 LEU 26 3HD1 LEU 26 -10.282 -5.611 -1.138 164 1HD2 LEU 26 1HD2 LEU 26 -10.059 -7.222 0.930 165 2HD2 LEU 26 2HD2 LEU 26 -11.813 -7.279 1.012 166 3HD2 LEU 26 3HD2 LEU 26 -10.889 -6.795 2.421 167 H CYS 27 H CYS 27 -7.314 -4.192 1.967 168 HA CYS 27 HA CYS 27 -6.278 -2.221 3.819 169 1HB CYS 27 2HB CYS 27 -5.048 -3.510 1.395 170 2HB CYS 27 1HB CYS 27 -4.207 -2.462 2.497 171 HA PRO 28 HA PRO 28 -7.196 1.313 1.264 172 1HB PRO 28 2HB PRO 28 -5.490 3.104 2.518 173 2HB PRO 28 1HB PRO 28 -7.062 2.674 3.114 174 1HG PRO 28 2HG PRO 28 -4.413 1.752 4.041 175 2HG PRO 28 1HG PRO 28 -5.905 2.008 4.950 176 1HD PRO 28 2HD PRO 28 -4.935 -0.449 4.188 177 2HD PRO 28 1HD PRO 28 -6.628 -0.109 4.585 178 H ASP 29 H ASP 29 -3.841 1.358 2.276 179 HA ASP 29 HA ASP 29 -2.864 2.115 -0.356 180 1HB ASP 29 2HB ASP 29 -0.713 2.247 0.766 181 2HB ASP 29 1HB ASP 29 -1.911 2.974 1.802 182 H GLY 30 H GLY 30 -0.521 0.816 -0.594 183 1HA GLY 30 2HA GLY 30 -1.191 -1.572 -1.901 184 2HA GLY 30 1HA GLY 30 0.424 -0.975 -1.647 185 H PHE 31 H PHE 31 -0.468 -1.236 1.445 186 HA PHE 31 HA PHE 31 1.000 -3.651 1.865 187 1HB PHE 31 2HB PHE 31 -0.773 -1.986 3.662 188 2HB PHE 31 1HB PHE 31 0.115 -3.363 4.226 189 HD1 PHE 31 1HD PHE 31 1.137 -1.564 5.796 190 HD2 PHE 31 2HD PHE 31 1.955 -1.655 1.604 191 HE1 PHE 31 1HE PHE 31 3.192 -0.273 6.135 192 HE2 PHE 31 2HE PHE 31 3.966 -0.384 1.958 193 HZ PHE 31 HZ PHE 31 4.609 0.309 4.228 194 H GLN 32 H GLN 32 0.231 -5.414 3.260 195 HA GLN 32 HA GLN 32 -2.286 -6.548 2.185 196 1HB GLN 32 2HB GLN 32 0.284 -7.874 3.062 197 2HB GLN 32 1HB GLN 32 -1.136 -8.702 2.503 198 1HG GLN 32 2HG GLN 32 0.505 -6.694 0.878 199 2HG GLN 32 1HG GLN 32 0.521 -8.433 0.653 200 1HE2 GLN 32 1HE2 GLN 32 -1.746 -9.410 0.162 201 2HE2 GLN 32 2HE2 GLN 32 -2.754 -8.505 -0.864 202 H LEU 33 H LEU 33 -3.848 -6.922 3.472 203 HA LEU 33 HA LEU 33 -3.721 -6.644 6.358 204 1HB LEU 33 2HB LEU 33 -5.664 -6.061 4.818 205 2HB LEU 33 1HB LEU 33 -5.921 -7.761 4.585 206 HG LEU 33 HG LEU 33 -6.022 -6.405 7.306 207 1HD1 LEU 33 1HD1 LEU 33 -7.654 -5.441 5.727 208 2HD1 LEU 33 2HD1 LEU 33 -8.488 -6.410 6.929 209 3HD1 LEU 33 3HD1 LEU 33 -8.235 -7.042 5.304 210 1HD2 LEU 33 1HD2 LEU 33 -7.163 -9.071 6.331 211 2HD2 LEU 33 2HD2 LEU 33 -7.353 -8.388 7.927 212 3HD2 LEU 33 3HD2 LEU 33 -5.774 -8.912 7.395 213 H VAL 34 H VAL 34 -2.484 -8.044 7.256 214 HA VAL 34 HA VAL 34 -2.809 -10.968 6.755 215 HB VAL 34 HB VAL 34 -0.604 -10.098 6.201 216 1HG1 VAL 34 1HG1 VAL 34 -0.453 -9.205 9.098 217 2HG1 VAL 34 2HG1 VAL 34 -0.566 -8.150 7.695 218 3HG1 VAL 34 3HG1 VAL 34 0.861 -9.150 7.931 219 1HG2 VAL 34 1HG2 VAL 34 0.769 -11.615 7.603 220 2HG2 VAL 34 2HG2 VAL 34 -0.725 -12.392 7.110 221 3HG2 VAL 34 3HG2 VAL 34 -0.552 -11.777 8.745 222 H ALA 35 H ALA 35 -2.500 -8.561 9.306 223 HA ALA 35 HA ALA 35 -2.892 -10.475 11.390 224 1HB ALA 35 1HB ALA 35 -2.834 -7.430 11.426 225 2HB ALA 35 2HB ALA 35 -1.466 -8.484 11.743 226 3HB ALA 35 3HB ALA 35 -2.807 -8.426 12.873 227 H GLN 36 H GLN 36 -4.917 -10.454 9.530 228 HA GLN 36 HA GLN 36 -7.218 -10.498 9.243 229 1HB GLN 36 2HB GLN 36 -7.259 -10.451 12.284 230 2HB GLN 36 1HB GLN 36 -8.581 -10.925 11.249 231 1HG GLN 36 2HG GLN 36 -7.205 -12.799 10.296 232 2HG GLN 36 1HG GLN 36 -5.870 -12.352 11.349 233 1HE2 GLN 36 1HE2 GLN 36 -8.916 -14.025 11.196 234 2HE2 GLN 36 2HE2 GLN 36 -8.942 -14.543 12.813 235 H ARG 37 H ARG 37 -5.805 -7.745 10.174 236 HA ARG 37 HA ARG 37 -8.275 -6.259 9.771 237 1HB ARG 37 2HB ARG 37 -7.970 -7.001 12.325 238 2HB ARG 37 1HB ARG 37 -6.787 -5.719 12.361 239 1HG ARG 37 2HG ARG 37 -8.847 -4.752 13.121 240 2HG ARG 37 1HG ARG 37 -8.624 -4.158 11.481 241 1HD ARG 37 2HD ARG 37 -10.103 -6.073 10.637 242 2HD ARG 37 1HD ARG 37 -10.290 -6.582 12.302 243 HE ARG 37 HE ARG 37 -11.027 -3.775 11.809 244 1HH1 ARG 37 2HH1 ARG 37 -12.103 -7.074 11.952 245 2HH1 ARG 37 1HH1 ARG 37 -13.756 -6.631 12.217 246 1HH2 ARG 37 1HH2 ARG 37 -13.111 -3.212 12.145 247 2HH2 ARG 37 2HH2 ARG 37 -14.339 -4.418 12.321 248 H ARG 38 H ARG 38 -5.036 -5.932 11.127 249 HA ARG 38 HA ARG 38 -4.548 -3.388 9.807 250 1HB ARG 38 2HB ARG 38 -2.796 -5.166 11.527 251 2HB ARG 38 1HB ARG 38 -2.367 -3.568 10.972 252 1HG ARG 38 2HG ARG 38 -4.357 -2.624 12.174 253 2HG ARG 38 1HG ARG 38 -4.778 -4.234 12.726 254 1HD ARG 38 2HD ARG 38 -3.533 -3.005 14.487 255 2HD ARG 38 1HD ARG 38 -2.599 -4.395 13.933 256 HE ARG 38 HE ARG 38 -1.895 -2.108 12.366 257 1HH1 ARG 38 2HH1 ARG 38 -1.587 -3.414 15.560 258 2HH1 ARG 38 1HH1 ARG 38 -0.094 -2.594 15.875 259 1HH2 ARG 38 1HH2 ARG 38 -0.011 -1.060 12.738 260 2HH2 ARG 38 2HH2 ARG 38 0.814 -1.238 14.251 261 H CYS 39 H CYS 39 -3.360 -2.990 8.133 262 HA CYS 39 HA CYS 39 -2.381 -5.217 6.459 263 1HB CYS 39 2HB CYS 39 -2.843 -2.290 5.875 264 2HB CYS 39 1HB CYS 39 -2.340 -3.481 4.694 265 H GLU 40 H GLU 40 -0.412 -5.349 5.600 266 HA GLU 40 HA GLU 40 1.719 -3.460 6.202 267 1HB GLU 40 2HB GLU 40 1.533 -4.727 8.339 268 2HB GLU 40 1HB GLU 40 1.786 -6.225 7.462 269 1HG GLU 40 2HG GLU 40 4.015 -5.381 6.690 270 2HG GLU 40 1HG GLU 40 3.750 -3.888 7.570 271 H ASP 41 H ASP 41 3.341 -3.639 4.810 272 HA ASP 41 HA ASP 41 3.195 -5.638 2.650 273 1HB ASP 41 2HB ASP 41 3.242 -3.358 2.028 274 2HB ASP 41 1HB ASP 41 4.654 -2.999 3.001 275 H ILE 42 H ILE 42 5.277 -6.312 1.783 276 HA ILE 42 HA ILE 42 6.755 -7.759 3.706 277 HB ILE 42 HB ILE 42 7.379 -7.116 0.774 278 1HG1 ILE 42 2HG1 ILE 42 6.682 -9.472 0.285 279 2HG1 ILE 42 1HG1 ILE 42 6.215 -9.673 1.956 280 1HG2 ILE 42 1HG2 ILE 42 8.706 -9.206 2.544 281 2HG2 ILE 42 2HG2 ILE 42 9.471 -7.754 1.918 282 3HG2 ILE 42 3HG2 ILE 42 8.975 -9.020 0.819 283 1HD1 ILE 42 1HD1 ILE 42 4.261 -9.251 0.520 284 2HD1 ILE 42 2HD1 ILE 42 4.941 -7.716 0.008 285 3HD1 ILE 42 3HD1 ILE 42 4.427 -7.954 1.672 286 H ASP 43 H ASP 43 9.111 -7.364 4.201 287 HA ASP 43 HA ASP 43 9.784 -4.435 4.146 288 1HB ASP 43 2HB ASP 43 9.461 -5.671 6.353 289 2HB ASP 43 1HB ASP 43 10.888 -6.609 5.958 290 H GLU 44 H GLU 44 11.101 -3.958 2.611 291 HA GLU 44 HA GLU 44 12.716 -5.861 1.200 292 1HB GLU 44 2HB GLU 44 12.914 -2.862 1.256 293 2HB GLU 44 1HB GLU 44 13.552 -3.898 -0.001 294 1HG GLU 44 2HG GLU 44 11.568 -2.905 -0.802 295 2HG GLU 44 1HG GLU 44 11.160 -4.584 -0.543 296 H CYS 45 H CYS 45 13.282 -3.688 3.899 297 HA CYS 45 HA CYS 45 16.093 -3.629 3.721 298 1HB CYS 45 2HB CYS 45 14.254 -3.201 6.080 299 2HB CYS 45 1HB CYS 45 15.948 -3.031 6.169 300 H GLN 46 H GLN 46 14.117 -5.219 6.031 301 HA GLN 46 HA GLN 46 15.705 -6.775 7.537 302 1HB GLN 46 2HB GLN 46 13.073 -7.504 6.241 303 2HB GLN 46 1HB GLN 46 13.791 -8.461 7.506 304 1HG GLN 46 2HG GLN 46 13.127 -5.488 7.754 305 2HG GLN 46 1HG GLN 46 12.105 -6.771 8.385 306 1HE2 GLN 46 1HE2 GLN 46 13.330 -8.303 9.973 307 2HE2 GLN 46 2HE2 GLN 46 14.438 -7.570 11.030 308 H ASP 47 H ASP 47 14.884 -7.643 4.240 309 HA ASP 47 HA ASP 47 16.186 -10.175 4.392 310 1HB ASP 47 2HB ASP 47 14.312 -9.795 2.813 311 2HB ASP 47 1HB ASP 47 15.269 -8.597 1.955 312 HA PRO 48 HA PRO 48 20.200 -8.247 3.648 313 1HB PRO 48 2HB PRO 48 21.755 -10.436 3.837 314 2HB PRO 48 1HB PRO 48 20.917 -9.801 5.232 315 1HG PRO 48 2HG PRO 48 20.119 -12.088 3.477 316 2HG PRO 48 1HG PRO 48 20.112 -11.976 5.246 317 1HD PRO 48 2HD PRO 48 17.890 -11.615 3.692 318 2HD PRO 48 1HD PRO 48 18.106 -10.891 5.298 319 H ASP 49 H ASP 49 19.301 -7.769 1.488 320 HA ASP 49 HA ASP 49 20.998 -8.974 -0.605 321 1HB ASP 49 2HB ASP 49 18.840 -10.195 -0.730 322 2HB ASP 49 1HB ASP 49 17.985 -8.657 -0.758 323 H THR 50 H THR 50 18.700 -6.539 0.415 324 HA THR 50 HA THR 50 19.192 -4.644 -1.654 325 HB THR 50 HB THR 50 17.957 -3.100 0.003 326 HG1 THR 50 1HG THR 50 17.138 -4.632 1.773 327 1HG2 THR 50 1HG2 THR 50 16.739 -5.901 -0.328 328 2HG2 THR 50 2HG2 THR 50 16.672 -4.659 -1.567 329 3HG2 THR 50 3HG2 THR 50 15.848 -4.415 -0.040 330 H CYS 51 H CYS 51 19.796 -3.610 1.664 331 HA CYS 51 HA CYS 51 22.183 -2.152 0.782 332 1HB CYS 51 2HB CYS 51 20.936 -2.385 3.523 333 2HB CYS 51 1HB CYS 51 21.940 -1.093 2.916 334 H SER 52 H SER 52 24.304 -2.381 2.100 335 HA SER 52 HA SER 52 25.055 -5.133 2.235 336 1HB SER 52 2HB SER 52 26.686 -3.330 1.751 337 2HB SER 52 1HB SER 52 26.419 -2.637 3.354 338 HG SER 52 HG SER 52 27.101 -5.354 3.016 339 H GLN 53 H GLN 53 24.186 -2.762 4.671 340 HA GLN 53 HA GLN 53 23.729 -4.939 6.651 341 1HB GLN 53 2HB GLN 53 25.258 -2.361 7.108 342 2HB GLN 53 1HB GLN 53 24.705 -3.379 8.420 343 1HG GLN 53 2HG GLN 53 26.547 -4.272 6.190 344 2HG GLN 53 1HG GLN 53 27.088 -3.782 7.786 345 1HE2 GLN 53 1HE2 GLN 53 25.993 -5.101 9.645 346 2HE2 GLN 53 2HE2 GLN 53 25.773 -6.762 9.370 347 H LEU 54 H LEU 54 23.537 -1.626 7.727 348 HA LEU 54 HA LEU 54 20.804 -1.978 8.370 349 1HB LEU 54 2HB LEU 54 22.465 0.533 8.240 350 2HB LEU 54 1HB LEU 54 20.852 0.432 8.908 351 HG LEU 54 HG LEU 54 23.360 -0.845 9.998 352 1HD1 LEU 54 1HD1 LEU 54 21.286 1.142 10.993 353 2HD1 LEU 54 2HD1 LEU 54 22.865 1.586 10.404 354 3HD1 LEU 54 3HD1 LEU 54 22.721 0.648 11.889 355 1HD2 LEU 54 1HD2 LEU 54 21.892 -1.750 11.777 356 2HD2 LEU 54 2HD2 LEU 54 21.394 -2.423 10.238 357 3HD2 LEU 54 3HD2 LEU 54 20.471 -1.110 10.956 358 H CYS 55 H CYS 55 19.230 -0.670 8.038 359 HA CYS 55 HA CYS 55 18.818 0.820 5.552 360 1HB CYS 55 2HB CYS 55 18.785 -1.523 4.753 361 2HB CYS 55 1HB CYS 55 17.600 -1.952 5.907 362 H VAL 56 H VAL 56 16.350 1.240 5.317 363 HA VAL 56 HA VAL 56 14.901 1.370 7.883 364 HB VAL 56 HB VAL 56 16.239 3.438 7.892 365 1HG1 VAL 56 1HG1 VAL 56 16.061 5.171 6.149 366 2HG1 VAL 56 2HG1 VAL 56 15.054 4.137 5.166 367 3HG1 VAL 56 3HG1 VAL 56 16.724 3.697 5.479 368 1HG2 VAL 56 1HG2 VAL 56 13.343 4.017 7.162 369 2HG2 VAL 56 2HG2 VAL 56 14.417 5.125 7.995 370 3HG2 VAL 56 3HG2 VAL 56 13.951 3.616 8.760 371 H ASN 57 H ASN 57 13.274 0.226 7.244 372 HA ASN 57 HA ASN 57 12.054 0.460 4.593 373 1HB ASN 57 2HB ASN 57 12.353 -1.739 5.681 374 2HB ASN 57 1HB ASN 57 11.292 -1.236 6.986 375 1HD2 ASN 57 1HD2 ASN 57 9.428 -2.455 6.703 376 2HD2 ASN 57 2HD2 ASN 57 8.559 -2.574 5.249 377 H LEU 58 H LEU 58 9.848 0.605 4.336 378 HA LEU 58 HA LEU 58 7.908 1.779 6.112 379 1HB LEU 58 2HB LEU 58 7.743 4.034 5.162 380 2HB LEU 58 1HB LEU 58 9.324 3.819 5.838 381 HG LEU 58 HG LEU 58 8.867 3.443 2.844 382 1HD1 LEU 58 1HD1 LEU 58 9.731 5.958 4.358 383 2HD1 LEU 58 2HD1 LEU 58 8.188 5.757 3.542 384 3HD1 LEU 58 3HD1 LEU 58 9.673 5.777 2.609 385 1HD2 LEU 58 1HD2 LEU 58 11.310 4.124 4.544 386 2HD2 LEU 58 2HD2 LEU 58 11.295 3.943 2.807 387 3HD2 LEU 58 3HD2 LEU 58 11.002 2.556 3.823 388 H GLU 59 H GLU 59 6.699 3.208 3.981 389 HA GLU 59 HA GLU 59 5.335 1.011 2.689 390 1HB GLU 59 2HB GLU 59 4.214 3.210 3.413 391 2HB GLU 59 1HB GLU 59 5.099 4.014 2.130 392 1HG GLU 59 2HG GLU 59 3.934 2.612 0.426 393 2HG GLU 59 1HG GLU 59 3.119 1.728 1.702 394 H GLY 60 H GLY 60 6.871 0.000 1.919 395 1HA GLY 60 2HA GLY 60 8.056 -0.963 0.297 396 2HA GLY 60 1HA GLY 60 6.993 -0.103 -0.806 397 H GLY 61 H GLY 61 8.317 2.280 0.844 398 1HA GLY 61 2HA GLY 61 10.302 2.940 -1.226 399 2HA GLY 61 1HA GLY 61 9.713 4.011 0.033 400 H TYR 62 H TYR 62 10.910 0.997 1.003 401 HA TYR 62 HA TYR 62 12.695 1.701 2.925 402 1HB TYR 62 2HB TYR 62 13.861 -0.397 2.675 403 2HB TYR 62 1HB TYR 62 12.202 -0.686 2.191 404 HD1 TYR 62 1HD TYR 62 15.546 -1.116 1.266 405 HD2 TYR 62 2HD TYR 62 11.755 -0.247 -0.463 406 HE1 TYR 62 1HE TYR 62 16.381 -1.831 -0.910 407 HE2 TYR 62 2HE TYR 62 12.593 -0.962 -2.644 408 HH TYR 62 HH TYR 62 14.707 -1.226 -3.814 409 H LYS 63 H LYS 63 14.635 2.688 3.201 410 HA LYS 63 HA LYS 63 16.341 3.184 0.817 411 1HB LYS 63 2HB LYS 63 15.979 4.874 3.292 412 2HB LYS 63 1HB LYS 63 16.954 5.236 1.924 413 1HG LYS 63 2HG LYS 63 13.914 5.021 1.902 414 2HG LYS 63 1HG LYS 63 14.807 6.517 1.852 415 1HD LYS 63 2HD LYS 63 14.877 4.386 -0.336 416 2HD LYS 63 1HD LYS 63 13.975 5.881 -0.400 417 1HE LYS 63 2HE LYS 63 16.095 7.181 -0.257 418 2HE LYS 63 1HE LYS 63 17.015 5.681 -0.202 419 1HZ LYS 63 1HZ LYS 63 15.133 6.217 -2.397 420 2HZ LYS 63 2HZ LYS 63 16.455 5.151 -2.355 421 3HZ LYS 63 3HZ LYS 63 16.717 6.829 -2.425 422 H CYS 64 H CYS 64 18.609 3.350 1.422 423 HA CYS 64 HA CYS 64 19.291 1.339 3.446 424 1HB CYS 64 2HB CYS 64 20.914 2.737 1.345 425 2HB CYS 64 1HB CYS 64 21.577 1.600 2.469 426 H GLN 65 H GLN 65 21.155 1.526 4.644 427 HA GLN 65 HA GLN 65 21.912 4.174 5.797 428 1HB GLN 65 2HB GLN 65 20.998 1.761 7.364 429 2HB GLN 65 1HB GLN 65 21.625 3.226 8.087 430 1HG GLN 65 2HG GLN 65 19.704 4.498 7.064 431 2HG GLN 65 1HG GLN 65 19.037 2.975 6.491 432 1HE2 GLN 65 1HE2 GLN 65 18.120 4.986 8.636 433 2HE2 GLN 65 2HE2 GLN 65 17.819 4.015 9.997 434 H CYS 66 H CYS 66 23.434 2.931 7.820 435 HA CYS 66 HA CYS 66 25.365 1.180 6.446 436 1HB CYS 66 2HB CYS 66 25.938 3.775 7.770 437 2HB CYS 66 1HB CYS 66 27.101 2.733 7.185 438 H GLU 67 H GLU 67 26.804 0.267 7.648 439 HA GLU 67 HA GLU 67 25.994 -0.325 10.430 440 1HB GLU 67 2HB GLU 67 26.580 -2.102 8.767 441 2HB GLU 67 1HB GLU 67 28.222 -1.513 8.700 442 1HG GLU 67 2HG GLU 67 28.051 -3.478 10.206 443 2HG GLU 67 1HG GLU 67 28.503 -2.072 11.143 444 H GLU 68 H GLU 68 26.670 2.168 10.344 445 HA GLU 68 HA GLU 68 27.982 3.827 11.267 446 1HB GLU 68 2HB GLU 68 29.401 1.441 12.546 447 2HB GLU 68 1HB GLU 68 29.680 3.099 12.985 448 1HG GLU 68 2HG GLU 68 27.244 3.315 13.596 449 2HG GLU 68 1HG GLU 68 26.977 1.651 13.101 450 H GLY 69 H GLY 69 30.534 1.458 10.942 451 1HA GLY 69 2HA GLY 69 32.536 3.158 10.025 452 2HA GLY 69 1HA GLY 69 32.580 1.413 9.926 453 H PHE 70 H PHE 70 29.982 1.813 8.201 454 HA PHE 70 HA PHE 70 31.385 1.614 5.743 455 1HB PHE 70 2HB PHE 70 28.456 1.832 6.307 456 2HB PHE 70 1HB PHE 70 29.108 1.563 4.724 457 HD1 PHE 70 1HD PHE 70 27.349 -0.279 4.930 458 HD2 PHE 70 2HD PHE 70 31.024 -0.281 7.083 459 HE1 PHE 70 1HE PHE 70 27.187 -2.679 5.235 460 HE2 PHE 70 2HE PHE 70 30.857 -2.706 7.387 461 HZ PHE 70 HZ PHE 70 28.935 -3.919 6.455 462 H GLN 71 H GLN 71 30.886 2.838 3.799 463 HA GLN 71 HA GLN 71 30.059 5.615 4.119 464 1HB GLN 71 2HB GLN 71 32.702 4.525 3.245 465 2HB GLN 71 1HB GLN 71 32.102 5.880 2.355 466 1HG GLN 71 2HG GLN 71 32.409 5.817 5.403 467 2HG GLN 71 1HG GLN 71 33.528 6.618 4.301 468 1HE2 GLN 71 1HE2 GLN 71 32.153 8.147 6.236 469 2HE2 GLN 71 2HE2 GLN 71 31.026 9.151 5.459 470 H LEU 72 H LEU 72 30.140 6.625 1.921 471 HA LEU 72 HA LEU 72 28.246 5.077 0.294 472 1HB LEU 72 2HB LEU 72 27.954 7.516 0.659 473 2HB LEU 72 1HB LEU 72 29.435 7.823 -0.221 474 HG LEU 72 HG LEU 72 28.419 6.692 -2.248 475 1HD1 LEU 72 1HD1 LEU 72 25.867 6.677 -0.583 476 2HD1 LEU 72 2HD1 LEU 72 26.744 5.248 -1.103 477 3HD1 LEU 72 3HD1 LEU 72 25.976 6.280 -2.290 478 1HD2 LEU 72 1HD2 LEU 72 26.799 9.000 -1.094 479 2HD2 LEU 72 2HD2 LEU 72 26.869 8.555 -2.794 480 3HD2 LEU 72 3HD2 LEU 72 28.308 9.156 -1.983 481 H ASP 73 H ASP 73 29.080 3.507 -0.862 482 HA ASP 73 HA ASP 73 31.688 3.668 -2.183 483 1HB ASP 73 2HB ASP 73 30.781 1.545 -1.237 484 2HB ASP 73 1HB ASP 73 29.500 1.539 -2.440 485 HA PRO 74 HA PRO 74 29.792 5.473 -5.840 486 1HB PRO 74 2HB PRO 74 31.929 5.648 -7.429 487 2HB PRO 74 1HB PRO 74 31.833 6.597 -5.965 488 1HG PRO 74 2HG PRO 74 33.278 4.011 -6.397 489 2HG PRO 74 1HG PRO 74 33.840 5.496 -5.609 490 1HD PRO 74 2HD PRO 74 32.890 3.337 -4.233 491 2HD PRO 74 1HD PRO 74 32.793 5.004 -3.631 492 H HIS 75 H HIS 75 29.486 5.045 -8.076 493 HA HIS 75 HA HIS 75 28.831 3.742 -9.886 494 1HB HIS 75 2HB HIS 75 30.966 1.795 -8.885 495 2HB HIS 75 1HB HIS 75 30.234 1.801 -10.481 496 HD1 HIS 75 1HD HIS 75 32.558 3.825 -8.408 497 HD2 HIS 75 2HD HIS 75 31.226 3.745 -12.265 498 HE1 HIS 75 1HE HIS 75 33.986 5.394 -9.668 499 H THR 76 H THR 76 28.276 2.939 -6.846 500 HA THR 76 HA THR 76 26.314 0.801 -7.501 501 HB THR 76 HB THR 76 26.958 -0.375 -5.341 502 HG1 THR 76 1HG THR 76 28.874 0.414 -4.382 503 1HG2 THR 76 1HG2 THR 76 29.444 0.132 -7.100 504 2HG2 THR 76 2HG2 THR 76 28.219 -1.059 -7.508 505 3HG2 THR 76 3HG2 THR 76 29.187 -1.253 -6.055 506 H LYS 77 H LYS 77 27.518 3.132 -5.321 507 HA LYS 77 HA LYS 77 26.562 4.737 -3.925 508 1HB LYS 77 2HB LYS 77 24.061 3.876 -5.163 509 2HB LYS 77 1HB LYS 77 24.228 5.326 -4.208 510 1HG LYS 77 2HG LYS 77 25.970 6.149 -5.833 511 2HG LYS 77 1HG LYS 77 25.695 4.729 -6.825 512 1HD LYS 77 2HD LYS 77 23.297 5.391 -7.097 513 2HD LYS 77 1HD LYS 77 23.598 6.830 -6.137 514 1HE LYS 77 2HE LYS 77 23.703 7.366 -8.552 515 2HE LYS 77 1HE LYS 77 25.281 7.597 -7.815 516 1HZ LYS 77 1HZ LYS 77 24.527 5.050 -9.098 517 2HZ LYS 77 2HZ LYS 77 26.079 5.635 -8.736 518 3HZ LYS 77 3HZ LYS 77 25.176 6.342 -9.989 519 H ALA 78 H ALA 78 26.358 1.592 -3.571 520 HA ALA 78 HA ALA 78 24.416 1.331 -1.383 521 1HB ALA 78 1HB ALA 78 26.568 -0.576 -2.418 522 2HB ALA 78 2HB ALA 78 24.895 -0.568 -2.954 523 3HB ALA 78 3HB ALA 78 25.285 -1.013 -1.299 524 H CYS 79 H CYS 79 25.032 1.182 0.859 525 HA CYS 79 HA CYS 79 27.650 2.441 1.399 526 1HB CYS 79 2HB CYS 79 25.440 2.874 2.790 527 2HB CYS 79 1HB CYS 79 25.874 1.369 3.580 528 H LYS 80 H LYS 80 29.328 1.432 2.353 529 HA LYS 80 HA LYS 80 29.134 -1.286 3.398 530 1HB LYS 80 2HB LYS 80 30.710 -2.234 1.868 531 2HB LYS 80 1HB LYS 80 29.171 -1.893 1.128 532 1HG LYS 80 2HG LYS 80 30.750 -1.242 -0.540 533 2HG LYS 80 1HG LYS 80 30.135 0.225 0.165 534 1HD LYS 80 2HD LYS 80 32.553 0.382 -0.244 535 2HD LYS 80 1HD LYS 80 32.256 0.533 1.455 536 1HE LYS 80 2HE LYS 80 34.156 -0.992 1.013 537 2HE LYS 80 1HE LYS 80 32.847 -1.928 1.716 538 1HZ LYS 80 1HZ LYS 80 32.335 -2.870 -0.307 539 2HZ LYS 80 2HZ LYS 80 34.030 -2.782 -0.372 540 3HZ LYS 80 3HZ LYS 80 33.087 -1.639 -1.203 541 H ALA 81 H ALA 81 31.338 -2.026 4.158 542 HA ALA 81 HA ALA 81 32.665 -0.466 5.923 543 1HB ALA 81 1HB ALA 81 33.965 -2.516 4.114 544 2HB ALA 81 2HB ALA 81 33.122 -2.840 5.622 545 3HB ALA 81 3HB ALA 81 34.634 -1.944 5.635 546 H VAL 82 H VAL 82 33.455 1.546 5.803 547 HA VAL 82 HA VAL 82 34.299 2.938 3.585 548 HB VAL 82 HB VAL 82 33.947 3.965 5.814 549 1HG1 VAL 82 1HG1 VAL 82 36.635 2.701 6.559 550 2HG1 VAL 82 2HG1 VAL 82 35.091 2.199 7.206 551 3HG1 VAL 82 3HG1 VAL 82 35.711 3.799 7.568 552 1HG2 VAL 82 1HG2 VAL 82 35.825 5.578 5.783 553 2HG2 VAL 82 2HG2 VAL 82 35.251 5.249 4.158 554 3HG2 VAL 82 3HG2 VAL 82 36.740 4.517 4.728 Start of MODEL 28 1 H GLY 1 H GLY 1 -26.539 1.987 0.204 2 1HA GLY 1 2HA GLY 1 -24.408 3.881 0.166 3 2HA GLY 1 1HA GLY 1 -25.935 4.755 0.262 4 H THR 2 H THR 2 -25.074 1.639 1.654 5 HA THR 2 HA THR 2 -26.264 2.040 4.139 6 HB THR 2 HB THR 2 -23.924 0.221 3.465 7 HG1 THR 2 1HG THR 2 -25.641 -1.198 2.943 8 1HG2 THR 2 1HG2 THR 2 -24.543 0.214 5.956 9 2HG2 THR 2 2HG2 THR 2 -24.896 -1.308 5.168 10 3HG2 THR 2 3HG2 THR 2 -26.191 -0.169 5.494 11 H ASN 3 H ASN 3 -25.211 2.101 6.214 12 HA ASN 3 HA ASN 3 -23.040 4.104 6.316 13 1HB ASN 3 2HB ASN 3 -25.270 4.491 7.530 14 2HB ASN 3 1HB ASN 3 -24.971 3.052 8.479 15 1HD2 ASN 3 1HD2 ASN 3 -23.785 6.375 7.928 16 2HD2 ASN 3 2HD2 ASN 3 -22.997 6.509 9.426 17 H GLU 4 H GLU 4 -22.624 1.452 5.634 18 HA GLU 4 HA GLU 4 -21.271 0.103 7.827 19 1HB GLU 4 2HB GLU 4 -20.690 -1.533 6.059 20 2HB GLU 4 1HB GLU 4 -22.396 -1.167 5.981 21 1HG GLU 4 2HG GLU 4 -21.892 0.489 4.111 22 2HG GLU 4 1HG GLU 4 -20.214 0.001 4.183 23 H CYS 5 H CYS 5 -20.484 2.008 4.990 24 HA CYS 5 HA CYS 5 -17.656 1.850 5.457 25 1HB CYS 5 2HB CYS 5 -18.903 2.005 3.187 26 2HB CYS 5 1HB CYS 5 -19.040 3.708 3.520 27 H LEU 6 H LEU 6 -20.252 4.121 5.658 28 HA LEU 6 HA LEU 6 -19.011 6.506 6.276 29 1HB LEU 6 2HB LEU 6 -21.600 5.391 7.346 30 2HB LEU 6 1HB LEU 6 -21.164 7.077 7.375 31 HG LEU 6 HG LEU 6 -21.609 5.334 4.891 32 1HD1 LEU 6 1HD1 LEU 6 -23.504 6.866 4.467 33 2HD1 LEU 6 2HD1 LEU 6 -23.151 7.724 5.961 34 3HD1 LEU 6 3HD1 LEU 6 -23.694 6.057 6.010 35 1HD2 LEU 6 1HD2 LEU 6 -19.804 7.024 4.429 36 2HD2 LEU 6 2HD2 LEU 6 -20.866 8.302 4.999 37 3HD2 LEU 6 3HD2 LEU 6 -21.267 7.400 3.547 38 H ASP 7 H ASP 7 -19.962 3.916 8.433 39 HA ASP 7 HA ASP 7 -18.656 5.228 10.796 40 1HB ASP 7 2HB ASP 7 -21.036 4.207 10.907 41 2HB ASP 7 1HB ASP 7 -20.272 2.654 10.601 42 H ASN 8 H ASN 8 -17.921 2.831 12.014 43 HA ASN 8 HA ASN 8 -15.350 2.354 11.125 44 1HB ASN 8 2HB ASN 8 -17.210 0.571 12.511 45 2HB ASN 8 1HB ASN 8 -15.482 0.289 12.484 46 1HD2 ASN 8 1HD2 ASN 8 -14.114 1.876 13.627 47 2HD2 ASN 8 2HD2 ASN 8 -14.769 2.882 14.827 48 H ASN 9 H ASN 9 -14.868 1.719 9.140 49 HA ASN 9 HA ASN 9 -16.283 0.740 7.048 50 1HB ASN 9 2HB ASN 9 -13.898 1.467 7.112 51 2HB ASN 9 1HB ASN 9 -13.456 -0.091 7.776 52 1HD2 ASN 9 1HD2 ASN 9 -14.140 -2.052 6.278 53 2HD2 ASN 9 2HD2 ASN 9 -13.951 -1.783 4.619 54 H GLY 10 H GLY 10 -17.889 -0.694 7.878 55 1HA GLY 10 2HA GLY 10 -18.878 -2.763 8.183 56 2HA GLY 10 1HA GLY 10 -17.491 -3.401 7.317 57 H GLY 11 H GLY 11 -16.502 -1.716 9.998 58 1HA GLY 11 2HA GLY 11 -16.713 -2.745 12.378 59 2HA GLY 11 1HA GLY 11 -15.986 -4.163 11.613 60 H CYS 12 H CYS 12 -14.328 -2.740 9.816 61 HA CYS 12 HA CYS 12 -12.108 -1.963 11.590 62 1HB CYS 12 2HB CYS 12 -10.793 -2.337 9.569 63 2HB CYS 12 1HB CYS 12 -11.878 -3.682 9.827 64 H SER 13 H SER 13 -11.043 -0.513 9.125 65 HA SER 13 HA SER 13 -12.655 1.845 8.701 66 1HB SER 13 2HB SER 13 -11.087 3.430 9.914 67 2HB SER 13 1HB SER 13 -11.844 2.302 11.047 68 HG SER 13 HG SER 13 -9.299 2.077 9.815 69 H HIS 14 H HIS 14 -11.530 -0.025 7.037 70 HA HIS 14 HA HIS 14 -9.327 1.421 5.673 71 1HB HIS 14 2HB HIS 14 -9.943 -1.542 5.923 72 2HB HIS 14 1HB HIS 14 -8.624 -0.870 5.006 73 HD1 HIS 14 1HD HIS 14 -9.693 -1.499 8.367 74 HD2 HIS 14 2HD HIS 14 -6.517 0.348 6.624 75 HE1 HIS 14 1HE HIS 14 -8.018 -1.150 10.180 76 H VAL 15 H VAL 15 -10.393 -1.201 3.925 77 HA VAL 15 HA VAL 15 -11.832 0.535 1.985 78 HB VAL 15 HB VAL 15 -10.677 -2.258 1.682 79 1HG1 VAL 15 1HG1 VAL 15 -11.135 -1.978 -0.762 80 2HG1 VAL 15 2HG1 VAL 15 -11.923 -0.442 -0.441 81 3HG1 VAL 15 3HG1 VAL 15 -12.619 -1.934 0.158 82 1HG2 VAL 15 1HG2 VAL 15 -9.711 0.406 0.599 83 2HG2 VAL 15 2HG2 VAL 15 -9.010 -1.165 0.237 84 3HG2 VAL 15 3HG2 VAL 15 -8.940 -0.529 1.874 85 H CYS 16 H CYS 16 -14.005 0.552 2.221 86 HA CYS 16 HA CYS 16 -15.401 -1.738 3.388 87 1HB CYS 16 2HB CYS 16 -17.348 -0.344 3.131 88 2HB CYS 16 1HB CYS 16 -16.102 0.568 3.902 89 H ASN 17 H ASN 17 -14.715 -3.266 1.793 90 HA ASN 17 HA ASN 17 -15.663 -2.874 -0.980 91 1HB ASN 17 2HB ASN 17 -13.521 -3.773 -0.775 92 2HB ASN 17 1HB ASN 17 -13.916 -4.892 0.480 93 1HD2 ASN 17 1HD2 ASN 17 -14.316 -7.004 -0.320 94 2HD2 ASN 17 2HD2 ASN 17 -14.677 -7.383 -1.929 95 H ASP 18 H ASP 18 -17.606 -2.666 -0.521 96 HA ASP 18 HA ASP 18 -19.480 -4.017 0.986 97 1HB ASP 18 2HB ASP 18 -19.935 -1.907 -0.136 98 2HB ASP 18 1HB ASP 18 -19.877 -2.678 -1.711 99 H LEU 19 H LEU 19 -19.237 -6.124 1.042 100 HA LEU 19 HA LEU 19 -19.422 -7.936 -1.150 101 1HB LEU 19 2HB LEU 19 -18.424 -8.151 1.293 102 2HB LEU 19 1HB LEU 19 -20.077 -8.381 1.773 103 HG LEU 19 HG LEU 19 -20.271 -10.384 0.309 104 1HD1 LEU 19 1HD1 LEU 19 -18.478 -9.675 -1.308 105 2HD1 LEU 19 2HD1 LEU 19 -18.150 -11.264 -0.642 106 3HD1 LEU 19 3HD1 LEU 19 -17.291 -9.852 -0.028 107 1HD2 LEU 19 1HD2 LEU 19 -19.694 -10.493 2.699 108 2HD2 LEU 19 2HD2 LEU 19 -17.990 -10.352 2.314 109 3HD2 LEU 19 3HD2 LEU 19 -18.893 -11.781 1.825 110 H LYS 20 H LYS 20 -21.356 -9.636 -0.981 111 HA LYS 20 HA LYS 20 -23.802 -8.097 -1.319 112 1HB LYS 20 2HB LYS 20 -24.802 -10.311 -1.870 113 2HB LYS 20 1HB LYS 20 -23.276 -10.048 -2.692 114 1HG LYS 20 2HG LYS 20 -22.095 -11.494 -1.071 115 2HG LYS 20 1HG LYS 20 -23.570 -11.713 -0.156 116 1HD LYS 20 2HD LYS 20 -23.171 -13.690 -1.496 117 2HD LYS 20 1HD LYS 20 -24.628 -12.895 -2.032 118 1HE LYS 20 2HE LYS 20 -21.929 -12.647 -3.433 119 2HE LYS 20 1HE LYS 20 -23.217 -13.731 -3.929 120 1HZ LYS 20 1HZ LYS 20 -23.869 -12.067 -5.195 121 2HZ LYS 20 2HZ LYS 20 -22.926 -10.923 -4.369 122 3HZ LYS 20 3HZ LYS 20 -24.464 -11.343 -3.780 123 H ILE 21 H ILE 21 -22.494 -10.399 1.035 124 HA ILE 21 HA ILE 21 -24.172 -9.314 3.179 125 HB ILE 21 HB ILE 21 -23.995 -12.254 2.377 126 1HG1 ILE 21 2HG1 ILE 21 -26.420 -10.387 2.414 127 2HG1 ILE 21 1HG1 ILE 21 -25.624 -10.999 0.977 128 1HG2 ILE 21 1HG2 ILE 21 -25.377 -10.942 4.750 129 2HG2 ILE 21 2HG2 ILE 21 -23.943 -11.957 4.825 130 3HG2 ILE 21 3HG2 ILE 21 -25.477 -12.656 4.355 131 1HD1 ILE 21 1HD1 ILE 21 -26.226 -13.312 1.569 132 2HD1 ILE 21 2HD1 ILE 21 -27.649 -12.294 1.424 133 3HD1 ILE 21 3HD1 ILE 21 -27.058 -12.746 3.009 134 H GLY 22 H GLY 22 -22.585 -8.707 4.590 135 1HA GLY 22 2HA GLY 22 -20.989 -9.121 6.253 136 2HA GLY 22 1HA GLY 22 -20.589 -10.612 5.437 137 H TYR 23 H TYR 23 -20.697 -7.296 4.579 138 HA TYR 23 HA TYR 23 -18.897 -6.754 2.668 139 1HB TYR 23 2HB TYR 23 -18.910 -5.029 5.124 140 2HB TYR 23 1HB TYR 23 -18.706 -4.536 3.457 141 HD1 TYR 23 1HD TYR 23 -20.947 -4.237 5.897 142 HD2 TYR 23 2HD TYR 23 -20.852 -5.807 1.952 143 HE1 TYR 23 1HE TYR 23 -23.374 -3.922 5.712 144 HE2 TYR 23 2HE TYR 23 -23.271 -5.492 1.766 145 HH TYR 23 HH TYR 23 -24.996 -3.598 3.331 146 H GLU 24 H GLU 24 -16.786 -6.035 2.433 147 HA GLU 24 HA GLU 24 -14.858 -7.316 4.262 148 1HB GLU 24 2HB GLU 24 -14.612 -6.436 1.419 149 2HB GLU 24 1HB GLU 24 -13.389 -7.282 2.313 150 1HG GLU 24 2HG GLU 24 -16.158 -8.309 1.611 151 2HG GLU 24 1HG GLU 24 -14.654 -8.810 0.860 152 H CYS 25 H CYS 25 -12.858 -6.538 4.486 153 HA CYS 25 HA CYS 25 -12.446 -3.685 4.635 154 1HB CYS 25 2HB CYS 25 -11.835 -5.911 6.573 155 2HB CYS 25 1HB CYS 25 -11.025 -4.379 6.675 156 H LEU 26 H LEU 26 -11.491 -4.121 2.437 157 HA LEU 26 HA LEU 26 -9.053 -5.722 2.340 158 1HB LEU 26 2HB LEU 26 -9.961 -3.711 0.251 159 2HB LEU 26 1HB LEU 26 -9.001 -5.136 0.058 160 HG LEU 26 HG LEU 26 -11.931 -5.204 0.762 161 1HD1 LEU 26 1HD1 LEU 26 -11.577 -4.551 -1.583 162 2HD1 LEU 26 2HD1 LEU 26 -12.199 -6.187 -1.517 163 3HD1 LEU 26 3HD1 LEU 26 -10.503 -5.918 -1.831 164 1HD2 LEU 26 1HD2 LEU 26 -10.777 -7.129 1.764 165 2HD2 LEU 26 2HD2 LEU 26 -10.062 -7.528 0.207 166 3HD2 LEU 26 3HD2 LEU 26 -11.803 -7.634 0.436 167 H CYS 27 H CYS 27 -7.344 -4.274 0.933 168 HA CYS 27 HA CYS 27 -6.461 -2.184 2.807 169 1HB CYS 27 2HB CYS 27 -4.988 -3.874 0.814 170 2HB CYS 27 1HB CYS 27 -4.253 -2.677 1.843 171 HA PRO 28 HA PRO 28 -7.046 0.948 -0.282 172 1HB PRO 28 2HB PRO 28 -5.523 2.915 0.876 173 2HB PRO 28 1HB PRO 28 -7.115 2.482 1.405 174 1HG PRO 28 2HG PRO 28 -4.513 1.802 2.622 175 2HG PRO 28 1HG PRO 28 -6.078 2.094 3.383 176 1HD PRO 28 2HD PRO 28 -4.949 -0.394 2.957 177 2HD PRO 28 1HD PRO 28 -6.666 -0.077 3.262 178 H ASP 29 H ASP 29 -3.787 1.194 0.986 179 HA ASP 29 HA ASP 29 -2.640 1.765 -1.620 180 1HB ASP 29 2HB ASP 29 -0.572 2.044 -0.356 181 2HB ASP 29 1HB ASP 29 -1.869 2.840 0.493 182 H GLY 30 H GLY 30 -0.338 0.651 -1.792 183 1HA GLY 30 2HA GLY 30 -0.654 -1.802 -3.009 184 2HA GLY 30 1HA GLY 30 0.883 -1.157 -2.493 185 H PHE 31 H PHE 31 -0.334 -1.383 0.421 186 HA PHE 31 HA PHE 31 1.000 -3.806 1.064 187 1HB PHE 31 2HB PHE 31 -0.967 -2.079 2.590 188 2HB PHE 31 1HB PHE 31 -0.194 -3.462 3.302 189 HD1 PHE 31 1HD PHE 31 2.008 -1.810 0.912 190 HD2 PHE 31 2HD PHE 31 0.641 -1.679 4.952 191 HE1 PHE 31 1HE PHE 31 3.968 -0.559 1.529 192 HE2 PHE 31 2HE PHE 31 2.640 -0.417 5.566 193 HZ PHE 31 HZ PHE 31 4.317 0.134 3.861 194 H GLN 32 H GLN 32 0.068 -5.495 2.366 195 HA GLN 32 HA GLN 32 -2.297 -6.703 0.972 196 1HB GLN 32 2HB GLN 32 -0.142 -7.919 0.741 197 2HB GLN 32 1HB GLN 32 -0.014 -8.031 2.489 198 1HG GLN 32 2HG GLN 32 -2.104 -9.398 2.561 199 2HG GLN 32 1HG GLN 32 -2.253 -9.266 0.813 200 1HE2 GLN 32 1HE2 GLN 32 -0.619 -10.376 -0.504 201 2HE2 GLN 32 2HE2 GLN 32 0.315 -11.632 0.155 202 H LEU 33 H LEU 33 -3.848 -7.780 2.200 203 HA LEU 33 HA LEU 33 -4.358 -6.576 4.820 204 1HB LEU 33 2HB LEU 33 -6.098 -7.225 2.957 205 2HB LEU 33 1HB LEU 33 -5.889 -8.874 3.495 206 HG LEU 33 HG LEU 33 -6.528 -8.088 5.846 207 1HD1 LEU 33 1HD1 LEU 33 -7.302 -5.577 4.293 208 2HD1 LEU 33 2HD1 LEU 33 -6.038 -5.658 5.504 209 3HD1 LEU 33 3HD1 LEU 33 -7.708 -5.881 5.966 210 1HD2 LEU 33 1HD2 LEU 33 -8.588 -7.673 3.651 211 2HD2 LEU 33 2HD2 LEU 33 -8.955 -7.980 5.334 212 3HD2 LEU 33 3HD2 LEU 33 -8.161 -9.219 4.381 213 H VAL 34 H VAL 34 -2.981 -7.316 6.352 214 HA VAL 34 HA VAL 34 -2.209 -10.161 6.437 215 HB VAL 34 HB VAL 34 -1.252 -7.764 8.061 216 1HG1 VAL 34 1HG1 VAL 34 -0.112 -10.596 7.920 217 2HG1 VAL 34 2HG1 VAL 34 -0.909 -9.912 9.324 218 3HG1 VAL 34 3HG1 VAL 34 0.610 -9.240 8.770 219 1HG2 VAL 34 1HG2 VAL 34 -0.659 -7.680 5.644 220 2HG2 VAL 34 2HG2 VAL 34 0.004 -9.300 5.745 221 3HG2 VAL 34 3HG2 VAL 34 0.766 -7.983 6.614 222 H ALA 35 H ALA 35 -2.705 -8.261 9.358 223 HA ALA 35 HA ALA 35 -3.994 -10.475 10.602 224 1HB ALA 35 1HB ALA 35 -3.234 -7.745 11.701 225 2HB ALA 35 2HB ALA 35 -2.309 -9.225 11.830 226 3HB ALA 35 3HB ALA 35 -3.844 -9.071 12.664 227 H GLN 36 H GLN 36 -5.700 -10.221 9.029 228 HA GLN 36 HA GLN 36 -7.995 -10.130 8.647 229 1HB GLN 36 2HB GLN 36 -8.165 -8.675 11.338 230 2HB GLN 36 1HB GLN 36 -9.512 -9.307 10.431 231 1HG GLN 36 2HG GLN 36 -8.620 -11.611 10.617 232 2HG GLN 36 1HG GLN 36 -7.213 -11.017 11.489 233 1HE2 GLN 36 1HE2 GLN 36 -7.594 -10.034 13.641 234 2HE2 GLN 36 2HE2 GLN 36 -8.974 -10.464 14.530 235 H ARG 37 H ARG 37 -7.275 -7.096 10.249 236 HA ARG 37 HA ARG 37 -8.176 -5.546 7.882 237 1HB ARG 37 2HB ARG 37 -9.212 -3.936 9.555 238 2HB ARG 37 1HB ARG 37 -10.025 -5.470 9.366 239 1HG ARG 37 2HG ARG 37 -9.838 -4.766 11.758 240 2HG ARG 37 1HG ARG 37 -9.077 -6.314 11.459 241 1HD ARG 37 2HD ARG 37 -6.887 -5.291 11.415 242 2HD ARG 37 1HD ARG 37 -7.579 -3.668 11.568 243 HE ARG 37 HE ARG 37 -8.510 -5.226 13.748 244 1HH1 ARG 37 2HH1 ARG 37 -5.516 -4.054 12.459 245 2HH1 ARG 37 1HH1 ARG 37 -4.738 -3.992 14.004 246 1HH2 ARG 37 1HH2 ARG 37 -7.548 -5.157 15.721 247 2HH2 ARG 37 2HH2 ARG 37 -5.909 -4.627 15.883 248 H ARG 38 H ARG 38 -5.577 -6.326 9.323 249 HA ARG 38 HA ARG 38 -4.403 -3.578 9.638 250 1HB ARG 38 2HB ARG 38 -4.203 -5.374 11.510 251 2HB ARG 38 1HB ARG 38 -3.195 -6.259 10.390 252 1HG ARG 38 2HG ARG 38 -2.569 -3.499 11.484 253 2HG ARG 38 1HG ARG 38 -1.840 -4.993 12.019 254 1HD ARG 38 2HD ARG 38 -0.837 -5.292 9.718 255 2HD ARG 38 1HD ARG 38 -1.515 -3.720 9.280 256 HE ARG 38 HE ARG 38 0.185 -3.853 11.698 257 1HH1 ARG 38 2HH1 ARG 38 -0.174 -2.894 8.384 258 2HH1 ARG 38 1HH1 ARG 38 1.175 -1.814 8.440 259 1HH2 ARG 38 1HH2 ARG 38 1.885 -2.508 11.783 260 2HH2 ARG 38 2HH2 ARG 38 2.362 -1.597 10.390 261 H CYS 39 H CYS 39 -3.919 -3.014 7.599 262 HA CYS 39 HA CYS 39 -2.875 -4.950 5.676 263 1HB CYS 39 2HB CYS 39 -3.416 -1.996 5.473 264 2HB CYS 39 1HB CYS 39 -2.884 -2.994 4.138 265 H GLU 40 H GLU 40 -0.843 -5.442 5.487 266 HA GLU 40 HA GLU 40 1.255 -3.370 5.791 267 1HB GLU 40 2HB GLU 40 0.955 -4.619 7.980 268 2HB GLU 40 1HB GLU 40 1.416 -6.074 7.137 269 1HG GLU 40 2HG GLU 40 3.590 -5.081 6.503 270 2HG GLU 40 1HG GLU 40 3.143 -3.574 7.280 271 H ASP 41 H ASP 41 3.148 -3.844 4.738 272 HA ASP 41 HA ASP 41 3.037 -5.853 2.571 273 1HB ASP 41 2HB ASP 41 3.049 -3.609 1.914 274 2HB ASP 41 1HB ASP 41 4.443 -3.191 2.883 275 H ILE 42 H ILE 42 5.187 -6.471 1.820 276 HA ILE 42 HA ILE 42 6.596 -7.839 3.851 277 HB ILE 42 HB ILE 42 7.282 -7.298 0.915 278 1HG1 ILE 42 2HG1 ILE 42 6.625 -9.684 0.512 279 2HG1 ILE 42 1HG1 ILE 42 6.120 -9.817 2.178 280 1HG2 ILE 42 1HG2 ILE 42 9.358 -7.864 2.132 281 2HG2 ILE 42 2HG2 ILE 42 8.905 -9.176 1.069 282 3HG2 ILE 42 3HG2 ILE 42 8.597 -9.303 2.792 283 1HD1 ILE 42 1HD1 ILE 42 4.320 -8.124 1.765 284 2HD1 ILE 42 2HD1 ILE 42 4.199 -9.479 0.677 285 3HD1 ILE 42 3HD1 ILE 42 4.878 -7.966 0.107 286 H ASP 43 H ASP 43 8.897 -7.393 4.432 287 HA ASP 43 HA ASP 43 9.586 -4.481 4.240 288 1HB ASP 43 2HB ASP 43 9.126 -5.566 6.503 289 2HB ASP 43 1HB ASP 43 10.555 -6.547 6.251 290 H GLU 44 H GLU 44 11.026 -4.136 2.765 291 HA GLU 44 HA GLU 44 12.671 -6.191 1.601 292 1HB GLU 44 2HB GLU 44 12.914 -3.197 1.352 293 2HB GLU 44 1HB GLU 44 13.561 -4.381 0.243 294 1HG GLU 44 2HG GLU 44 11.623 -3.439 -0.711 295 2HG GLU 44 1HG GLU 44 11.190 -5.086 -0.315 296 H CYS 45 H CYS 45 13.094 -3.865 4.134 297 HA CYS 45 HA CYS 45 15.910 -3.783 4.088 298 1HB CYS 45 2HB CYS 45 13.896 -2.974 6.151 299 2HB CYS 45 1HB CYS 45 15.574 -2.823 6.436 300 H GLN 46 H GLN 46 13.808 -5.419 6.302 301 HA GLN 46 HA GLN 46 15.373 -6.463 8.233 302 1HB GLN 46 2HB GLN 46 13.304 -8.000 6.621 303 2HB GLN 46 1HB GLN 46 13.929 -8.508 8.169 304 1HG GLN 46 2HG GLN 46 12.504 -5.885 7.690 305 2HG GLN 46 1HG GLN 46 11.753 -7.295 8.415 306 1HE2 GLN 46 1HE2 GLN 46 13.254 -8.161 10.390 307 2HE2 GLN 46 2HE2 GLN 46 13.759 -6.939 11.453 308 H ASP 47 H ASP 47 15.148 -8.064 5.084 309 HA ASP 47 HA ASP 47 17.210 -9.917 5.786 310 1HB ASP 47 2HB ASP 47 15.362 -10.511 4.192 311 2HB ASP 47 1HB ASP 47 15.986 -9.332 3.050 312 HA PRO 48 HA PRO 48 20.345 -6.981 4.481 313 1HB PRO 48 2HB PRO 48 22.573 -8.436 4.859 314 2HB PRO 48 1HB PRO 48 21.564 -7.970 6.205 315 1HG PRO 48 2HG PRO 48 21.633 -10.589 4.768 316 2HG PRO 48 1HG PRO 48 21.574 -10.267 6.508 317 1HD PRO 48 2HD PRO 48 19.380 -10.904 4.978 318 2HD PRO 48 1HD PRO 48 19.309 -10.006 6.505 319 H ASP 49 H ASP 49 18.947 -8.148 2.401 320 HA ASP 49 HA ASP 49 20.912 -9.010 0.363 321 1HB ASP 49 2HB ASP 49 18.667 -10.079 0.355 322 2HB ASP 49 1HB ASP 49 17.894 -8.514 0.162 323 H THR 50 H THR 50 19.126 -6.229 1.420 324 HA THR 50 HA THR 50 19.535 -4.575 -0.904 325 HB THR 50 HB THR 50 18.700 -2.769 0.746 326 HG1 THR 50 1HG THR 50 19.055 -3.215 2.749 327 1HG2 THR 50 1HG2 THR 50 17.171 -5.419 1.026 328 2HG2 THR 50 2HG2 THR 50 16.982 -4.335 -0.341 329 3HG2 THR 50 3HG2 THR 50 16.504 -3.813 1.265 330 H CYS 51 H CYS 51 20.649 -3.131 2.086 331 HA CYS 51 HA CYS 51 23.374 -2.975 0.919 332 1HB CYS 51 2HB CYS 51 21.767 -1.278 2.808 333 2HB CYS 51 1HB CYS 51 23.500 -1.097 2.688 334 H SER 52 H SER 52 25.184 -3.304 2.122 335 HA SER 52 HA SER 52 25.764 -5.523 3.381 336 1HB SER 52 2HB SER 52 27.425 -3.749 2.948 337 2HB SER 52 1HB SER 52 26.818 -2.826 4.331 338 HG SER 52 HG SER 52 27.438 -5.526 4.708 339 H GLN 53 H GLN 53 24.880 -2.805 5.460 340 HA GLN 53 HA GLN 53 24.068 -4.784 7.561 341 1HB GLN 53 2HB GLN 53 25.276 -2.001 7.837 342 2HB GLN 53 1HB GLN 53 24.686 -2.941 9.196 343 1HG GLN 53 2HG GLN 53 26.865 -3.868 7.261 344 2HG GLN 53 1HG GLN 53 27.189 -3.212 8.851 345 1HE2 GLN 53 1HE2 GLN 53 26.379 -6.058 7.104 346 2HE2 GLN 53 2HE2 GLN 53 26.156 -7.082 8.439 347 H LEU 54 H LEU 54 23.310 -1.436 8.122 348 HA LEU 54 HA LEU 54 20.560 -2.087 8.373 349 1HB LEU 54 2HB LEU 54 21.934 0.602 8.275 350 2HB LEU 54 1HB LEU 54 20.277 0.367 8.740 351 HG LEU 54 HG LEU 54 22.712 -0.639 10.225 352 1HD1 LEU 54 1HD1 LEU 54 22.097 1.789 10.452 353 2HD1 LEU 54 2HD1 LEU 54 21.789 0.914 11.946 354 3HD1 LEU 54 3HD1 LEU 54 20.463 1.315 10.863 355 1HD2 LEU 54 1HD2 LEU 54 19.754 -1.007 10.835 356 2HD2 LEU 54 2HD2 LEU 54 21.090 -1.492 11.877 357 3HD2 LEU 54 3HD2 LEU 54 20.838 -2.302 10.344 358 H CYS 55 H CYS 55 18.981 -0.683 7.777 359 HA CYS 55 HA CYS 55 18.734 0.443 5.104 360 1HB CYS 55 2HB CYS 55 18.590 -2.023 4.645 361 2HB CYS 55 1HB CYS 55 17.366 -2.189 5.824 362 H VAL 56 H VAL 56 16.214 0.999 4.896 363 HA VAL 56 HA VAL 56 14.886 1.338 7.520 364 HB VAL 56 HB VAL 56 16.371 3.314 7.380 365 1HG1 VAL 56 1HG1 VAL 56 16.687 3.500 4.938 366 2HG1 VAL 56 2HG1 VAL 56 16.162 5.021 5.627 367 3HG1 VAL 56 3HG1 VAL 56 15.028 4.031 4.742 368 1HG2 VAL 56 1HG2 VAL 56 14.168 3.640 8.410 369 2HG2 VAL 56 2HG2 VAL 56 13.463 4.042 6.853 370 3HG2 VAL 56 3HG2 VAL 56 14.656 5.106 7.577 371 H ASN 57 H ASN 57 13.228 0.172 6.919 372 HA ASN 57 HA ASN 57 11.881 0.464 4.345 373 1HB ASN 57 2HB ASN 57 12.213 -1.740 5.360 374 2HB ASN 57 1HB ASN 57 11.237 -1.265 6.740 375 1HD2 ASN 57 1HD2 ASN 57 9.298 -2.372 6.574 376 2HD2 ASN 57 2HD2 ASN 57 8.372 -2.508 5.159 377 H LEU 58 H LEU 58 9.725 0.582 4.127 378 HA LEU 58 HA LEU 58 7.748 1.707 5.883 379 1HB LEU 58 2HB LEU 58 7.531 3.954 4.903 380 2HB LEU 58 1HB LEU 58 9.095 3.780 5.626 381 HG LEU 58 HG LEU 58 8.724 3.411 2.618 382 1HD1 LEU 58 1HD1 LEU 58 7.990 5.703 3.319 383 2HD1 LEU 58 2HD1 LEU 58 9.499 5.760 2.424 384 3HD1 LEU 58 3HD1 LEU 58 9.510 5.925 4.176 385 1HD2 LEU 58 1HD2 LEU 58 11.116 4.114 4.384 386 2HD2 LEU 58 2HD2 LEU 58 11.149 3.947 2.643 387 3HD2 LEU 58 3HD2 LEU 58 10.851 2.548 3.641 388 H GLU 59 H GLU 59 6.529 3.094 3.726 389 HA GLU 59 HA GLU 59 5.215 0.867 2.442 390 1HB GLU 59 2HB GLU 59 4.011 3.009 3.130 391 2HB GLU 59 1HB GLU 59 4.924 3.874 1.910 392 1HG GLU 59 2HG GLU 59 3.838 2.512 0.113 393 2HG GLU 59 1HG GLU 59 2.998 1.565 1.322 394 H GLY 60 H GLY 60 6.779 -0.123 1.661 395 1HA GLY 60 2HA GLY 60 7.996 -1.036 0.026 396 2HA GLY 60 1HA GLY 60 6.904 -0.192 -1.067 397 H GLY 61 H GLY 61 8.186 2.191 0.671 398 1HA GLY 61 2HA GLY 61 10.126 2.973 -1.393 399 2HA GLY 61 1HA GLY 61 9.528 3.973 -0.076 400 H TYR 62 H TYR 62 10.685 0.969 0.859 401 HA TYR 62 HA TYR 62 12.520 1.685 2.744 402 1HB TYR 62 2HB TYR 62 13.598 -0.476 2.562 403 2HB TYR 62 1HB TYR 62 11.914 -0.708 2.143 404 HD1 TYR 62 1HD TYR 62 11.365 -0.520 -0.474 405 HD2 TYR 62 2HD TYR 62 15.245 -1.233 1.115 406 HE1 TYR 62 1HE TYR 62 12.096 -1.403 -2.636 407 HE2 TYR 62 2HE TYR 62 15.977 -2.116 -1.035 408 HH TYR 62 HH TYR 62 15.101 -1.697 -3.593 409 H LYS 63 H LYS 63 14.438 2.692 2.915 410 HA LYS 63 HA LYS 63 16.036 3.114 0.450 411 1HB LYS 63 2HB LYS 63 15.940 4.742 3.002 412 2HB LYS 63 1HB LYS 63 16.824 5.092 1.558 413 1HG LYS 63 2HG LYS 63 14.718 5.310 0.262 414 2HG LYS 63 1HG LYS 63 13.794 4.921 1.705 415 1HD LYS 63 2HD LYS 63 14.724 6.922 2.855 416 2HD LYS 63 1HD LYS 63 15.628 7.327 1.405 417 1HE LYS 63 2HE LYS 63 13.503 7.533 0.129 418 2HE LYS 63 1HE LYS 63 12.593 7.120 1.579 419 1HZ LYS 63 1HZ LYS 63 14.466 9.400 1.464 420 2HZ LYS 63 2HZ LYS 63 13.289 9.069 2.643 421 3HZ LYS 63 3HZ LYS 63 12.817 9.537 1.080 422 H CYS 64 H CYS 64 18.264 3.232 0.804 423 HA CYS 64 HA CYS 64 19.290 1.036 2.428 424 1HB CYS 64 2HB CYS 64 20.153 1.400 0.240 425 2HB CYS 64 1HB CYS 64 20.587 3.037 0.663 426 H GLN 65 H GLN 65 20.889 1.125 3.713 427 HA GLN 65 HA GLN 65 21.983 3.467 5.091 428 1HB GLN 65 2HB GLN 65 20.467 1.482 6.825 429 2HB GLN 65 1HB GLN 65 21.209 2.943 7.332 430 1HG GLN 65 2HG GLN 65 18.721 2.911 5.601 431 2HG GLN 65 1HG GLN 65 18.754 3.187 7.329 432 1HE2 GLN 65 1HE2 GLN 65 21.222 4.846 7.293 433 2HE2 GLN 65 2HE2 GLN 65 20.772 6.323 6.591 434 H CYS 66 H CYS 66 23.126 2.365 7.172 435 HA CYS 66 HA CYS 66 24.124 -0.282 6.818 436 1HB CYS 66 2HB CYS 66 25.577 2.133 5.945 437 2HB CYS 66 1HB CYS 66 26.460 0.843 6.668 438 H GLU 67 H GLU 67 26.413 -0.182 8.192 439 HA GLU 67 HA GLU 67 25.499 0.331 10.929 440 1HB GLU 67 2HB GLU 67 26.629 -1.757 10.148 441 2HB GLU 67 1HB GLU 67 28.079 -0.841 9.848 442 1HG GLU 67 2HG GLU 67 28.239 -0.269 12.287 443 2HG GLU 67 1HG GLU 67 26.777 -1.199 12.574 444 H GLU 68 H GLU 68 25.534 2.685 10.010 445 HA GLU 68 HA GLU 68 26.269 4.839 10.201 446 1HB GLU 68 2HB GLU 68 27.959 3.561 12.370 447 2HB GLU 68 1HB GLU 68 27.797 5.283 12.164 448 1HG GLU 68 2HG GLU 68 25.299 5.042 12.458 449 2HG GLU 68 1HG GLU 68 25.501 3.306 12.643 450 H GLY 69 H GLY 69 29.343 3.371 10.928 451 1HA GLY 69 2HA GLY 69 31.030 5.222 9.763 452 2HA GLY 69 1HA GLY 69 31.470 3.554 10.077 453 H PHE 70 H PHE 70 29.103 2.940 8.143 454 HA PHE 70 HA PHE 70 30.774 2.537 5.897 455 1HB PHE 70 2HB PHE 70 27.816 2.307 6.272 456 2HB PHE 70 1HB PHE 70 28.625 1.759 4.825 457 HD1 PHE 70 1HD PHE 70 27.763 -0.514 5.111 458 HD2 PHE 70 2HD PHE 70 30.268 1.162 8.121 459 HE1 PHE 70 1HE PHE 70 28.106 -2.713 6.091 460 HE2 PHE 70 2HE PHE 70 30.598 -1.041 9.085 461 HZ PHE 70 HZ PHE 70 29.519 -3.002 8.074 462 H GLN 71 H GLN 71 30.443 3.374 3.747 463 HA GLN 71 HA GLN 71 29.145 6.018 3.601 464 1HB GLN 71 2HB GLN 71 31.926 5.145 2.897 465 2HB GLN 71 1HB GLN 71 31.203 6.334 1.871 466 1HG GLN 71 2HG GLN 71 31.416 6.583 4.914 467 2HG GLN 71 1HG GLN 71 32.487 7.389 3.768 468 1HE2 GLN 71 1HE2 GLN 71 30.901 8.942 5.511 469 2HE2 GLN 71 2HE2 GLN 71 29.698 9.742 4.620 470 H LEU 72 H LEU 72 29.205 6.800 1.317 471 HA LEU 72 HA LEU 72 27.515 4.898 -0.159 472 1HB LEU 72 2HB LEU 72 26.983 7.321 -0.137 473 2HB LEU 72 1HB LEU 72 28.479 7.661 -0.984 474 HG LEU 72 HG LEU 72 27.700 6.152 -2.870 475 1HD1 LEU 72 1HD1 LEU 72 26.092 4.725 -1.643 476 2HD1 LEU 72 2HD1 LEU 72 25.321 5.508 -3.002 477 3HD1 LEU 72 3HD1 LEU 72 25.050 6.112 -1.377 478 1HD2 LEU 72 1HD2 LEU 72 27.359 8.607 -2.996 479 2HD2 LEU 72 2HD2 LEU 72 25.819 8.443 -2.162 480 3HD2 LEU 72 3HD2 LEU 72 26.027 7.762 -3.770 481 H ASP 73 H ASP 73 28.597 3.303 -0.945 482 HA ASP 73 HA ASP 73 31.224 3.465 -2.177 483 1HB ASP 73 2HB ASP 73 30.345 1.428 -0.948 484 2HB ASP 73 1HB ASP 73 29.192 1.175 -2.245 485 HA PRO 74 HA PRO 74 29.317 4.651 -6.094 486 1HB PRO 74 2HB PRO 74 31.521 4.993 -7.565 487 2HB PRO 74 1HB PRO 74 31.180 6.060 -6.224 488 1HG PRO 74 2HG PRO 74 33.010 3.693 -6.276 489 2HG PRO 74 1HG PRO 74 33.292 5.321 -5.635 490 1HD PRO 74 2HD PRO 74 32.569 3.203 -4.071 491 2HD PRO 74 1HD PRO 74 32.179 4.889 -3.677 492 H HIS 75 H HIS 75 29.262 3.923 -8.294 493 HA HIS 75 HA HIS 75 28.957 2.315 -9.951 494 1HB HIS 75 2HB HIS 75 31.286 0.888 -8.569 495 2HB HIS 75 1HB HIS 75 30.695 0.578 -10.193 496 HD1 HIS 75 1HD HIS 75 32.443 3.227 -8.263 497 HD2 HIS 75 2HD HIS 75 31.532 2.417 -12.159 498 HE1 HIS 75 1HE HIS 75 33.699 4.859 -9.623 499 H THR 76 H THR 76 28.293 1.826 -6.873 500 HA THR 76 HA THR 76 26.821 -0.732 -7.293 501 HB THR 76 HB THR 76 27.308 -1.259 -4.857 502 HG1 THR 76 1HG THR 76 28.897 0.092 -3.914 503 1HG2 THR 76 1HG2 THR 76 29.744 -1.783 -5.094 504 2HG2 THR 76 2HG2 THR 76 29.898 -0.629 -6.407 505 3HG2 THR 76 3HG2 THR 76 28.987 -2.109 -6.644 506 H LYS 77 H LYS 77 27.211 2.216 -5.638 507 HA LYS 77 HA LYS 77 25.764 3.878 -4.875 508 1HB LYS 77 2HB LYS 77 23.654 2.099 -5.824 509 2HB LYS 77 1HB LYS 77 23.368 3.742 -5.358 510 1HG LYS 77 2HG LYS 77 25.047 2.780 -7.735 511 2HG LYS 77 1HG LYS 77 23.508 3.598 -7.829 512 1HD LYS 77 2HD LYS 77 26.095 4.827 -6.773 513 2HD LYS 77 1HD LYS 77 25.359 5.147 -8.326 514 1HE LYS 77 2HE LYS 77 23.349 6.094 -7.213 515 2HE LYS 77 1HE LYS 77 24.064 5.782 -5.637 516 1HZ LYS 77 1HZ LYS 77 25.599 7.325 -7.584 517 2HZ LYS 77 2HZ LYS 77 25.594 7.406 -5.888 518 3HZ LYS 77 3HZ LYS 77 24.310 8.078 -6.776 519 H ALA 78 H ALA 78 26.108 0.883 -3.706 520 HA ALA 78 HA ALA 78 24.185 1.049 -1.460 521 1HB ALA 78 1HB ALA 78 26.300 -1.036 -2.175 522 2HB ALA 78 2HB ALA 78 24.597 -1.143 -2.597 523 3HB ALA 78 3HB ALA 78 25.090 -1.218 -0.913 524 H CYS 79 H CYS 79 25.728 -0.039 0.568 525 HA CYS 79 HA CYS 79 28.048 1.748 0.905 526 1HB CYS 79 2HB CYS 79 27.217 2.263 3.270 527 2HB CYS 79 1HB CYS 79 26.403 3.109 1.991 528 H LYS 80 H LYS 80 29.505 1.271 2.326 529 HA LYS 80 HA LYS 80 29.388 -1.170 3.961 530 1HB LYS 80 2HB LYS 80 31.341 -2.056 3.110 531 2HB LYS 80 1HB LYS 80 30.118 -2.086 1.841 532 1HG LYS 80 2HG LYS 80 31.151 0.075 0.913 533 2HG LYS 80 1HG LYS 80 32.467 -0.119 2.047 534 1HD LYS 80 2HD LYS 80 31.752 -2.053 -0.188 535 2HD LYS 80 1HD LYS 80 33.092 -0.933 -0.186 536 1HE LYS 80 2HE LYS 80 33.945 -3.152 0.341 537 2HE LYS 80 1HE LYS 80 34.088 -2.151 1.774 538 1HZ LYS 80 1HZ LYS 80 32.962 -4.581 1.684 539 2HZ LYS 80 2HZ LYS 80 31.598 -3.575 1.588 540 3HZ LYS 80 3HZ LYS 80 32.676 -3.423 2.893 541 H ALA 81 H ALA 81 31.342 -1.235 5.369 542 HA ALA 81 HA ALA 81 32.009 1.010 6.785 543 1HB ALA 81 1HB ALA 81 34.068 -0.177 7.493 544 2HB ALA 81 2HB ALA 81 33.879 -1.291 6.146 545 3HB ALA 81 3HB ALA 81 32.685 -1.259 7.434 546 H VAL 82 H VAL 82 32.807 2.916 6.280 547 HA VAL 82 HA VAL 82 33.956 3.722 3.914 548 HB VAL 82 HB VAL 82 33.136 5.254 5.674 549 1HG1 VAL 82 1HG1 VAL 82 34.103 4.093 7.673 550 2HG1 VAL 82 2HG1 VAL 82 34.546 5.790 7.653 551 3HG1 VAL 82 3HG1 VAL 82 35.710 4.569 7.174 552 1HG2 VAL 82 1HG2 VAL 82 34.605 6.196 3.942 553 2HG2 VAL 82 2HG2 VAL 82 36.024 5.824 4.904 554 3HG2 VAL 82 3HG2 VAL 82 34.867 7.012 5.473 Start of MODEL 29 1 H GLY 1 H GLY 1 -23.878 -2.179 2.213 2 1HA GLY 1 2HA GLY 1 -26.654 -2.028 1.846 3 2HA GLY 1 1HA GLY 1 -26.419 -2.880 3.374 4 H THR 2 H THR 2 -25.858 -1.710 5.168 5 HA THR 2 HA THR 2 -26.315 1.033 5.283 6 HB THR 2 HB THR 2 -26.541 -0.337 7.258 7 HG1 THR 2 1HG THR 2 -26.063 1.779 7.632 8 1HG2 THR 2 1HG2 THR 2 -24.519 -1.176 8.438 9 2HG2 THR 2 2HG2 THR 2 -23.487 -0.490 7.186 10 3HG2 THR 2 3HG2 THR 2 -24.537 -1.854 6.811 11 H ASN 3 H ASN 3 -24.802 2.629 6.191 12 HA ASN 3 HA ASN 3 -22.291 2.680 4.600 13 1HB ASN 3 2HB ASN 3 -24.068 4.463 4.325 14 2HB ASN 3 1HB ASN 3 -23.806 4.930 5.995 15 1HD2 ASN 3 1HD2 ASN 3 -23.373 6.975 4.399 16 2HD2 ASN 3 2HD2 ASN 3 -21.727 7.247 4.080 17 H GLU 4 H GLU 4 -21.829 1.032 6.440 18 HA GLU 4 HA GLU 4 -21.178 2.022 9.056 19 1HB GLU 4 2HB GLU 4 -19.889 -0.232 9.119 20 2HB GLU 4 1HB GLU 4 -21.622 -0.286 8.928 21 1HG GLU 4 2HG GLU 4 -20.392 -1.863 7.464 22 2HG GLU 4 1HG GLU 4 -21.421 -0.792 6.554 23 H CYS 5 H CYS 5 -19.832 2.845 6.265 24 HA CYS 5 HA CYS 5 -17.050 2.667 6.696 25 1HB CYS 5 2HB CYS 5 -18.676 4.567 5.005 26 2HB CYS 5 1HB CYS 5 -16.975 4.317 4.849 27 H LEU 6 H LEU 6 -19.557 4.957 7.219 28 HA LEU 6 HA LEU 6 -18.401 7.317 7.958 29 1HB LEU 6 2HB LEU 6 -20.767 5.977 9.299 30 2HB LEU 6 1HB LEU 6 -20.407 7.685 9.341 31 HG LEU 6 HG LEU 6 -21.114 6.078 6.846 32 1HD1 LEU 6 1HD1 LEU 6 -23.161 7.444 6.869 33 2HD1 LEU 6 2HD1 LEU 6 -22.643 8.202 8.368 34 3HD1 LEU 6 3HD1 LEU 6 -23.009 6.483 8.333 35 1HD2 LEU 6 1HD2 LEU 6 -21.119 8.297 5.682 36 2HD2 LEU 6 2HD2 LEU 6 -19.522 7.976 6.318 37 3HD2 LEU 6 3HD2 LEU 6 -20.593 9.084 7.158 38 H ASP 7 H ASP 7 -19.052 4.598 10.080 39 HA ASP 7 HA ASP 7 -17.443 5.783 12.307 40 1HB ASP 7 2HB ASP 7 -19.799 4.787 12.679 41 2HB ASP 7 1HB ASP 7 -19.118 3.249 12.172 42 H ASN 8 H ASN 8 -16.627 3.327 13.343 43 HA ASN 8 HA ASN 8 -14.159 2.871 12.199 44 1HB ASN 8 2HB ASN 8 -15.932 1.073 13.663 45 2HB ASN 8 1HB ASN 8 -14.266 0.651 13.372 46 1HD2 ASN 8 1HD2 ASN 8 -15.647 3.859 14.359 47 2HD2 ASN 8 2HD2 ASN 8 -14.769 3.939 15.806 48 H ASN 9 H ASN 9 -13.872 2.386 10.129 49 HA ASN 9 HA ASN 9 -15.453 1.553 8.103 50 1HB ASN 9 2HB ASN 9 -13.058 2.236 7.978 51 2HB ASN 9 1HB ASN 9 -12.598 0.632 8.538 52 1HD2 ASN 9 1HD2 ASN 9 -13.003 -1.203 7.115 53 2HD2 ASN 9 2HD2 ASN 9 -13.192 -0.956 5.453 54 H GLY 10 H GLY 10 -17.007 0.108 9.001 55 1HA GLY 10 2HA GLY 10 -18.057 -1.948 8.977 56 2HA GLY 10 1HA GLY 10 -16.584 -2.606 8.282 57 H GLY 11 H GLY 11 -15.268 -1.229 10.701 58 1HA GLY 11 2HA GLY 11 -15.803 -1.977 13.222 59 2HA GLY 11 1HA GLY 11 -15.245 -3.519 12.538 60 H CYS 12 H CYS 12 -13.697 -1.990 10.589 61 HA CYS 12 HA CYS 12 -11.205 -1.571 12.103 62 1HB CYS 12 2HB CYS 12 -11.886 -2.014 9.193 63 2HB CYS 12 1HB CYS 12 -10.277 -1.800 9.788 64 H SER 13 H SER 13 -10.228 -0.042 9.648 65 HA SER 13 HA SER 13 -11.698 2.425 9.557 66 1HB SER 13 2HB SER 13 -9.950 3.823 10.761 67 2HB SER 13 1HB SER 13 -10.660 2.626 11.852 68 HG SER 13 HG SER 13 -8.933 1.209 11.217 69 H HIS 14 H HIS 14 -10.629 0.554 7.776 70 HA HIS 14 HA HIS 14 -8.619 2.098 6.237 71 1HB HIS 14 2HB HIS 14 -9.319 -0.867 6.359 72 2HB HIS 14 1HB HIS 14 -8.260 -0.183 5.154 73 HD1 HIS 14 1HD HIS 14 -6.790 -2.064 6.658 74 HD2 HIS 14 2HD HIS 14 -7.280 1.650 8.286 75 HE1 HIS 14 1HE HIS 14 -5.011 -1.794 8.347 76 H VAL 15 H VAL 15 -9.940 -0.256 4.372 77 HA VAL 15 HA VAL 15 -11.858 1.606 3.082 78 HB VAL 15 HB VAL 15 -9.854 0.911 1.836 79 1HG1 VAL 15 1HG1 VAL 15 -10.922 -1.913 2.002 80 2HG1 VAL 15 2HG1 VAL 15 -9.451 -1.296 2.736 81 3HG1 VAL 15 3HG1 VAL 15 -9.599 -1.394 0.990 82 1HG2 VAL 15 1HG2 VAL 15 -11.070 0.157 -0.263 83 2HG2 VAL 15 2HG2 VAL 15 -11.956 1.428 0.563 84 3HG2 VAL 15 3HG2 VAL 15 -12.471 -0.243 0.716 85 H CYS 16 H CYS 16 -13.887 1.166 3.267 86 HA CYS 16 HA CYS 16 -14.873 -1.356 4.378 87 1HB CYS 16 2HB CYS 16 -17.031 -0.104 4.292 88 2HB CYS 16 1HB CYS 16 -15.820 0.750 5.191 89 H ASN 17 H ASN 17 -14.530 -2.924 2.768 90 HA ASN 17 HA ASN 17 -15.528 -2.340 0.027 91 1HB ASN 17 2HB ASN 17 -13.361 -3.369 0.278 92 2HB ASN 17 1HB ASN 17 -13.994 -4.631 1.301 93 1HD2 ASN 17 1HD2 ASN 17 -15.042 -6.386 0.302 94 2HD2 ASN 17 2HD2 ASN 17 -15.144 -6.585 -1.377 95 H ASP 18 H ASP 18 -17.394 -2.034 0.713 96 HA ASP 18 HA ASP 18 -19.188 -3.466 2.287 97 1HB ASP 18 2HB ASP 18 -19.458 -1.105 1.376 98 2HB ASP 18 1HB ASP 18 -19.942 -1.810 -0.152 99 H LEU 19 H LEU 19 -19.038 -5.516 2.007 100 HA LEU 19 HA LEU 19 -19.502 -7.086 -0.285 101 1HB LEU 19 2HB LEU 19 -18.413 -7.564 2.071 102 2HB LEU 19 1HB LEU 19 -20.048 -7.729 2.620 103 HG LEU 19 HG LEU 19 -20.472 -9.605 1.071 104 1HD1 LEU 19 1HD1 LEU 19 -17.498 -9.262 0.525 105 2HD1 LEU 19 2HD1 LEU 19 -18.762 -8.917 -0.642 106 3HD1 LEU 19 3HD1 LEU 19 -18.502 -10.567 -0.100 107 1HD2 LEU 19 1HD2 LEU 19 -18.056 -9.872 2.892 108 2HD2 LEU 19 2HD2 LEU 19 -19.095 -11.195 2.371 109 3HD2 LEU 19 3HD2 LEU 19 -19.736 -9.924 3.390 110 H LYS 20 H LYS 20 -21.487 -8.713 -0.163 111 HA LYS 20 HA LYS 20 -23.883 -7.102 -0.366 112 1HB LYS 20 2HB LYS 20 -24.982 -9.275 -0.881 113 2HB LYS 20 1HB LYS 20 -23.488 -9.115 -1.780 114 1HG LYS 20 2HG LYS 20 -22.325 -10.569 -0.099 115 2HG LYS 20 1HG LYS 20 -23.847 -10.770 0.757 116 1HD LYS 20 2HD LYS 20 -24.889 -11.769 -1.242 117 2HD LYS 20 1HD LYS 20 -23.380 -11.596 -2.124 118 1HE LYS 20 2HE LYS 20 -22.240 -13.070 -0.468 119 2HE LYS 20 1HE LYS 20 -23.752 -13.243 0.415 120 1HZ LYS 20 1HZ LYS 20 -24.743 -14.321 -1.422 121 2HZ LYS 20 2HZ LYS 20 -23.249 -15.075 -1.134 122 3HZ LYS 20 3HZ LYS 20 -23.417 -13.987 -2.428 123 H ILE 21 H ILE 21 -22.651 -9.556 1.871 124 HA ILE 21 HA ILE 21 -24.087 -8.407 4.147 125 HB ILE 21 HB ILE 21 -24.265 -11.306 3.226 126 1HG1 ILE 21 2HG1 ILE 21 -26.472 -9.198 3.475 127 2HG1 ILE 21 1HG1 ILE 21 -25.833 -9.837 1.974 128 1HG2 ILE 21 1HG2 ILE 21 -25.665 -11.636 5.281 129 2HG2 ILE 21 2HG2 ILE 21 -25.365 -9.958 5.726 130 3HG2 ILE 21 3HG2 ILE 21 -24.041 -11.116 5.679 131 1HD1 ILE 21 1HD1 ILE 21 -27.953 -10.917 2.506 132 2HD1 ILE 21 2HD1 ILE 21 -27.323 -11.492 4.034 133 3HD1 ILE 21 3HD1 ILE 21 -26.645 -12.089 2.527 134 H GLY 22 H GLY 22 -22.384 -8.074 5.516 135 1HA GLY 22 2HA GLY 22 -20.758 -8.814 7.048 136 2HA GLY 22 1HA GLY 22 -20.491 -10.201 6.025 137 H TYR 23 H TYR 23 -20.488 -6.814 5.472 138 HA TYR 23 HA TYR 23 -18.691 -6.210 3.567 139 1HB TYR 23 2HB TYR 23 -18.560 -4.663 6.130 140 2HB TYR 23 1HB TYR 23 -18.374 -4.078 4.496 141 HD1 TYR 23 1HD TYR 23 -20.502 -3.903 7.050 142 HD2 TYR 23 2HD TYR 23 -20.641 -5.006 2.961 143 HE1 TYR 23 1HE TYR 23 -22.899 -3.387 6.998 144 HE2 TYR 23 2HE TYR 23 -23.030 -4.499 2.895 145 HH TYR 23 HH TYR 23 -24.572 -2.729 4.569 146 H GLU 24 H GLU 24 -16.497 -5.572 3.361 147 HA GLU 24 HA GLU 24 -14.720 -7.059 5.190 148 1HB GLU 24 2HB GLU 24 -14.184 -6.166 2.387 149 2HB GLU 24 1HB GLU 24 -13.251 -7.237 3.378 150 1HG GLU 24 2HG GLU 24 -15.230 -8.772 3.539 151 2HG GLU 24 1HG GLU 24 -16.066 -7.692 2.424 152 H CYS 25 H CYS 25 -12.871 -6.480 5.679 153 HA CYS 25 HA CYS 25 -12.190 -3.702 6.133 154 1HB CYS 25 2HB CYS 25 -12.548 -5.118 8.132 155 2HB CYS 25 1HB CYS 25 -11.459 -6.313 7.479 156 H LEU 26 H LEU 26 -11.522 -4.220 3.611 157 HA LEU 26 HA LEU 26 -9.067 -5.718 3.310 158 1HB LEU 26 2HB LEU 26 -10.121 -3.674 1.334 159 2HB LEU 26 1HB LEU 26 -9.156 -5.078 1.056 160 HG LEU 26 HG LEU 26 -12.045 -5.189 1.925 161 1HD1 LEU 26 1HD1 LEU 26 -10.754 -5.887 -0.747 162 2HD1 LEU 26 2HD1 LEU 26 -11.792 -4.512 -0.442 163 3HD1 LEU 26 3HD1 LEU 26 -12.435 -6.142 -0.334 164 1HD2 LEU 26 1HD2 LEU 26 -10.167 -7.467 1.235 165 2HD2 LEU 26 2HD2 LEU 26 -11.890 -7.605 1.549 166 3HD2 LEU 26 3HD2 LEU 26 -10.808 -7.109 2.835 167 H CYS 27 H CYS 27 -7.470 -4.272 1.777 168 HA CYS 27 HA CYS 27 -6.121 -2.550 3.668 169 1HB CYS 27 2HB CYS 27 -5.404 -3.578 0.963 170 2HB CYS 27 1HB CYS 27 -4.392 -2.465 1.826 171 HA PRO 28 HA PRO 28 -7.325 1.262 1.677 172 1HB PRO 28 2HB PRO 28 -5.910 2.958 3.295 173 2HB PRO 28 1HB PRO 28 -7.368 2.167 3.808 174 1HG PRO 28 2HG PRO 28 -4.614 1.634 4.615 175 2HG PRO 28 1HG PRO 28 -6.120 1.247 5.434 176 1HD PRO 28 2HD PRO 28 -4.467 -0.509 3.891 177 2HD PRO 28 1HD PRO 28 -6.002 -0.860 4.707 178 H ASP 29 H ASP 29 -4.011 1.453 2.817 179 HA ASP 29 HA ASP 29 -3.067 2.662 0.323 180 1HB ASP 29 2HB ASP 29 -1.056 3.095 1.609 181 2HB ASP 29 1HB ASP 29 -2.426 3.476 2.623 182 H GLY 30 H GLY 30 -0.430 1.683 0.391 183 1HA GLY 30 2HA GLY 30 -0.601 -0.595 -1.243 184 2HA GLY 30 1HA GLY 30 0.870 0.142 -0.674 185 H PHE 31 H PHE 31 -0.400 -0.489 2.167 186 HA PHE 31 HA PHE 31 1.237 -2.752 2.747 187 1HB PHE 31 2HB PHE 31 -1.069 -1.413 4.193 188 2HB PHE 31 1HB PHE 31 -0.126 -2.689 4.911 189 HD1 PHE 31 1HD PHE 31 2.034 -0.756 2.746 190 HD2 PHE 31 2HD PHE 31 0.200 -0.683 6.610 191 HE1 PHE 31 1HE PHE 31 3.705 0.805 3.506 192 HE2 PHE 31 2HE PHE 31 1.909 0.898 7.357 193 HZ PHE 31 HZ PHE 31 3.675 1.638 5.795 194 H GLN 32 H GLN 32 0.223 -4.698 4.034 195 HA GLN 32 HA GLN 32 -1.926 -5.873 2.306 196 1HB GLN 32 2HB GLN 32 0.232 -6.698 1.577 197 2HB GLN 32 1HB GLN 32 0.605 -7.241 3.208 198 1HG GLN 32 2HG GLN 32 -1.330 -8.846 3.100 199 2HG GLN 32 1HG GLN 32 -1.679 -8.293 1.467 200 1HE2 GLN 32 1HE2 GLN 32 0.614 -10.097 3.460 201 2HE2 GLN 32 2HE2 GLN 32 1.443 -10.822 2.167 202 H LEU 33 H LEU 33 -3.377 -6.993 3.097 203 HA LEU 33 HA LEU 33 -3.750 -7.240 6.018 204 1HB LEU 33 2HB LEU 33 -5.517 -6.426 4.386 205 2HB LEU 33 1HB LEU 33 -5.554 -8.025 3.686 206 HG LEU 33 HG LEU 33 -6.260 -7.368 6.580 207 1HD1 LEU 33 1HD1 LEU 33 -8.591 -7.772 5.812 208 2HD1 LEU 33 2HD1 LEU 33 -8.006 -8.021 4.171 209 3HD1 LEU 33 3HD1 LEU 33 -7.818 -6.454 4.938 210 1HD2 LEU 33 1HD2 LEU 33 -6.657 -9.972 5.036 211 2HD2 LEU 33 2HD2 LEU 33 -7.231 -9.637 6.650 212 3HD2 LEU 33 3HD2 LEU 33 -5.517 -9.755 6.355 213 H VAL 34 H VAL 34 -2.542 -8.750 6.769 214 HA VAL 34 HA VAL 34 -2.568 -11.487 5.561 215 HB VAL 34 HB VAL 34 -0.378 -10.378 5.414 216 1HG1 VAL 34 1HG1 VAL 34 -0.525 -10.229 8.441 217 2HG1 VAL 34 2HG1 VAL 34 -0.592 -8.864 7.332 218 3HG1 VAL 34 3HG1 VAL 34 0.875 -9.826 7.457 219 1HG2 VAL 34 1HG2 VAL 34 -0.422 -12.828 5.718 220 2HG2 VAL 34 2HG2 VAL 34 -0.414 -12.636 7.464 221 3HG2 VAL 34 3HG2 VAL 34 0.978 -12.137 6.521 222 H ALA 35 H ALA 35 -2.824 -9.566 8.472 223 HA ALA 35 HA ALA 35 -3.098 -11.808 10.211 224 1HB ALA 35 1HB ALA 35 -3.573 -8.828 10.651 225 2HB ALA 35 2HB ALA 35 -2.084 -9.691 11.000 226 3HB ALA 35 3HB ALA 35 -3.526 -10.014 11.947 227 H GLN 36 H GLN 36 -4.888 -11.800 8.119 228 HA GLN 36 HA GLN 36 -7.098 -12.128 7.516 229 1HB GLN 36 2HB GLN 36 -7.460 -12.706 10.481 230 2HB GLN 36 1HB GLN 36 -8.532 -13.208 9.203 231 1HG GLN 36 2HG GLN 36 -5.617 -14.119 9.464 232 2HG GLN 36 1HG GLN 36 -7.026 -15.095 9.841 233 1HE2 GLN 36 1HE2 GLN 36 -8.497 -15.638 7.995 234 2HE2 GLN 36 2HE2 GLN 36 -7.864 -15.699 6.421 235 H ARG 37 H ARG 37 -6.401 -9.353 9.026 236 HA ARG 37 HA ARG 37 -9.139 -8.441 8.613 237 1HB ARG 37 2HB ARG 37 -8.873 -9.539 11.019 238 2HB ARG 37 1HB ARG 37 -8.014 -8.078 11.419 239 1HG ARG 37 2HG ARG 37 -10.284 -7.717 12.082 240 2HG ARG 37 1HG ARG 37 -10.062 -6.772 10.616 241 1HD ARG 37 2HD ARG 37 -11.015 -8.725 9.267 242 2HD ARG 37 1HD ARG 37 -11.227 -9.589 10.775 243 HE ARG 37 HE ARG 37 -12.504 -6.979 10.848 244 1HH1 ARG 37 2HH1 ARG 37 -12.818 -10.250 9.745 245 2HH1 ARG 37 1HH1 ARG 37 -14.547 -10.200 9.736 246 1HH2 ARG 37 1HH2 ARG 37 -14.691 -6.891 10.842 247 2HH2 ARG 37 2HH2 ARG 37 -15.628 -8.269 10.366 248 H ARG 38 H ARG 38 -6.457 -7.318 10.597 249 HA ARG 38 HA ARG 38 -6.659 -4.607 9.553 250 1HB ARG 38 2HB ARG 38 -6.089 -5.185 11.942 251 2HB ARG 38 1HB ARG 38 -4.588 -5.888 11.392 252 1HG ARG 38 2HG ARG 38 -4.130 -3.651 12.227 253 2HG ARG 38 1HG ARG 38 -3.900 -3.633 10.490 254 1HD ARG 38 2HD ARG 38 -6.183 -2.648 10.192 255 2HD ARG 38 1HD ARG 38 -6.427 -2.715 11.936 256 HE ARG 38 HE ARG 38 -4.016 -1.270 11.261 257 1HH1 ARG 38 2HH1 ARG 38 -7.473 -1.073 11.415 258 2HH1 ARG 38 1HH1 ARG 38 -7.480 0.642 11.644 259 1HH2 ARG 38 1HH2 ARG 38 -4.003 0.909 11.541 260 2HH2 ARG 38 2HH2 ARG 38 -5.488 1.783 11.713 261 H CYS 39 H CYS 39 -5.399 -3.652 8.065 262 HA CYS 39 HA CYS 39 -3.524 -5.372 6.538 263 1HB CYS 39 2HB CYS 39 -5.288 -4.096 5.343 264 2HB CYS 39 1HB CYS 39 -4.561 -2.607 5.896 265 H GLU 40 H GLU 40 -1.433 -5.078 6.462 266 HA GLU 40 HA GLU 40 -0.099 -2.605 7.215 267 1HB GLU 40 2HB GLU 40 -0.618 -3.636 9.432 268 2HB GLU 40 1HB GLU 40 0.230 -5.090 8.946 269 1HG GLU 40 2HG GLU 40 2.353 -3.791 8.740 270 2HG GLU 40 1HG GLU 40 1.502 -2.322 9.189 271 H ASP 41 H ASP 41 2.152 -2.645 6.742 272 HA ASP 41 HA ASP 41 2.954 -4.751 4.821 273 1HB ASP 41 2HB ASP 41 2.859 -2.539 4.028 274 2HB ASP 41 1HB ASP 41 3.919 -1.920 5.279 275 H ILE 42 H ILE 42 5.039 -5.429 4.768 276 HA ILE 42 HA ILE 42 6.143 -6.076 7.334 277 HB ILE 42 HB ILE 42 6.028 -7.756 5.477 278 1HG1 ILE 42 2HG1 ILE 42 8.950 -7.129 6.144 279 2HG1 ILE 42 1HG1 ILE 42 7.860 -7.986 7.219 280 1HG2 ILE 42 1HG2 ILE 42 8.044 -5.931 4.065 281 2HG2 ILE 42 2HG2 ILE 42 6.377 -6.174 3.580 282 3HG2 ILE 42 3HG2 ILE 42 7.514 -7.490 3.467 283 1HD1 ILE 42 1HD1 ILE 42 9.293 -9.543 5.950 284 2HD1 ILE 42 2HD1 ILE 42 8.723 -8.891 4.428 285 3HD1 ILE 42 3HD1 ILE 42 7.617 -9.767 5.477 286 H ASP 43 H ASP 43 8.656 -5.834 7.563 287 HA ASP 43 HA ASP 43 9.482 -3.063 6.754 288 1HB ASP 43 2HB ASP 43 9.318 -3.718 9.224 289 2HB ASP 43 1HB ASP 43 10.612 -4.864 8.940 290 H GLU 44 H GLU 44 10.655 -3.125 5.038 291 HA GLU 44 HA GLU 44 11.953 -5.489 4.053 292 1HB GLU 44 2HB GLU 44 12.400 -2.625 3.254 293 2HB GLU 44 1HB GLU 44 12.760 -4.033 2.283 294 1HG GLU 44 2HG GLU 44 10.778 -3.080 1.452 295 2HG GLU 44 1HG GLU 44 10.278 -4.565 2.226 296 H CYS 45 H CYS 45 12.990 -2.770 6.023 297 HA CYS 45 HA CYS 45 15.760 -3.063 5.565 298 1HB CYS 45 2HB CYS 45 14.276 -1.875 7.915 299 2HB CYS 45 1HB CYS 45 15.978 -1.881 7.772 300 H GLN 46 H GLN 46 13.955 -3.788 8.396 301 HA GLN 46 HA GLN 46 15.599 -5.122 10.068 302 1HB GLN 46 2HB GLN 46 12.745 -5.778 9.337 303 2HB GLN 46 1HB GLN 46 13.546 -6.474 10.716 304 1HG GLN 46 2HG GLN 46 13.202 -3.474 10.220 305 2HG GLN 46 1HG GLN 46 12.194 -4.407 11.319 306 1HE2 GLN 46 1HE2 GLN 46 13.672 -5.723 12.996 307 2HE2 GLN 46 2HE2 GLN 46 14.933 -4.820 13.687 308 H ASP 47 H ASP 47 14.223 -6.604 7.227 309 HA ASP 47 HA ASP 47 15.187 -9.211 7.856 310 1HB ASP 47 2HB ASP 47 13.182 -8.901 6.443 311 2HB ASP 47 1HB ASP 47 14.148 -8.083 5.227 312 HA PRO 48 HA PRO 48 19.294 -8.250 6.270 313 1HB PRO 48 2HB PRO 48 20.472 -10.646 6.651 314 2HB PRO 48 1HB PRO 48 19.986 -9.652 8.002 315 1HG PRO 48 2HG PRO 48 18.535 -11.979 6.803 316 2HG PRO 48 1HG PRO 48 18.839 -11.608 8.509 317 1HD PRO 48 2HD PRO 48 16.485 -11.058 7.251 318 2HD PRO 48 1HD PRO 48 17.100 -10.130 8.632 319 H ASP 49 H ASP 49 18.192 -7.939 4.188 320 HA ASP 49 HA ASP 49 19.316 -9.741 2.150 321 1HB ASP 49 2HB ASP 49 17.010 -10.571 2.527 322 2HB ASP 49 1HB ASP 49 16.401 -8.932 2.343 323 H THR 50 H THR 50 17.540 -6.827 2.954 324 HA THR 50 HA THR 50 18.120 -5.413 0.528 325 HB THR 50 HB THR 50 17.138 -3.465 1.889 326 HG1 THR 50 1HG THR 50 17.418 -3.774 3.939 327 1HG2 THR 50 1HG2 THR 50 15.607 -6.112 2.162 328 2HG2 THR 50 2HG2 THR 50 15.609 -5.137 0.700 329 3HG2 THR 50 3HG2 THR 50 14.907 -4.501 2.176 330 H CYS 51 H CYS 51 18.968 -3.803 3.548 331 HA CYS 51 HA CYS 51 21.465 -2.869 2.363 332 1HB CYS 51 2HB CYS 51 20.473 -2.489 5.184 333 2HB CYS 51 1HB CYS 51 21.490 -1.434 4.237 334 H SER 52 H SER 52 23.657 -3.317 3.307 335 HA SER 52 HA SER 52 23.923 -6.025 4.225 336 1HB SER 52 2HB SER 52 26.344 -5.395 4.359 337 2HB SER 52 1HB SER 52 25.652 -4.807 2.842 338 HG SER 52 HG SER 52 26.813 -3.210 4.113 339 H GLN 53 H GLN 53 23.630 -2.941 5.692 340 HA GLN 53 HA GLN 53 23.719 -4.139 8.404 341 1HB GLN 53 2HB GLN 53 25.201 -1.698 7.434 342 2HB GLN 53 1HB GLN 53 24.969 -2.033 9.125 343 1HG GLN 53 2HG GLN 53 26.387 -3.803 7.117 344 2HG GLN 53 1HG GLN 53 27.173 -2.755 8.298 345 1HE2 GLN 53 1HE2 GLN 53 25.869 -3.225 10.643 346 2HE2 GLN 53 2HE2 GLN 53 25.943 -4.866 11.077 347 H LEU 54 H LEU 54 23.724 -0.745 8.211 348 HA LEU 54 HA LEU 54 21.215 -0.498 9.523 349 1HB LEU 54 2HB LEU 54 23.222 0.724 10.068 350 2HB LEU 54 1HB LEU 54 23.357 1.340 8.444 351 HG LEU 54 HG LEU 54 20.925 2.052 10.139 352 1HD1 LEU 54 1HD1 LEU 54 23.073 2.639 11.346 353 2HD1 LEU 54 2HD1 LEU 54 22.226 4.074 10.777 354 3HD1 LEU 54 3HD1 LEU 54 23.635 3.474 9.905 355 1HD2 LEU 54 1HD2 LEU 54 22.556 3.392 7.957 356 2HD2 LEU 54 2HD2 LEU 54 21.034 4.011 8.594 357 3HD2 LEU 54 3HD2 LEU 54 21.057 2.574 7.601 358 H CYS 55 H CYS 55 19.577 0.846 8.865 359 HA CYS 55 HA CYS 55 19.133 1.522 6.051 360 1HB CYS 55 2HB CYS 55 18.765 -0.964 6.146 361 2HB CYS 55 1HB CYS 55 17.601 -0.763 7.372 362 H VAL 56 H VAL 56 16.530 1.935 5.945 363 HA VAL 56 HA VAL 56 15.476 3.133 8.400 364 HB VAL 56 HB VAL 56 16.985 4.922 7.626 365 1HG1 VAL 56 1HG1 VAL 56 17.214 4.350 5.239 366 2HG1 VAL 56 2HG1 VAL 56 16.764 6.029 5.436 367 3HG1 VAL 56 3HG1 VAL 56 15.567 4.864 4.920 368 1HG2 VAL 56 1HG2 VAL 56 14.836 5.644 8.573 369 2HG2 VAL 56 2HG2 VAL 56 14.085 5.602 6.988 370 3HG2 VAL 56 3HG2 VAL 56 15.349 6.770 7.329 371 H ASN 57 H ASN 57 13.769 1.905 8.258 372 HA ASN 57 HA ASN 57 12.183 1.591 5.816 373 1HB ASN 57 2HB ASN 57 12.543 -0.316 7.360 374 2HB ASN 57 1HB ASN 57 11.701 0.555 8.631 375 1HD2 ASN 57 1HD2 ASN 57 9.697 -0.454 8.862 376 2HD2 ASN 57 2HD2 ASN 57 8.662 -0.854 7.577 377 H LEU 58 H LEU 58 9.946 1.816 5.849 378 HA LEU 58 HA LEU 58 8.344 3.493 7.535 379 1HB LEU 58 2HB LEU 58 8.113 5.492 6.116 380 2HB LEU 58 1HB LEU 58 9.757 5.339 6.631 381 HG LEU 58 HG LEU 58 8.898 4.371 3.868 382 1HD1 LEU 58 1HD1 LEU 58 8.430 6.827 4.134 383 2HD1 LEU 58 2HD1 LEU 58 9.777 6.538 3.047 384 3HD1 LEU 58 3HD1 LEU 58 10.077 7.073 4.694 385 1HD2 LEU 58 1HD2 LEU 58 11.328 4.682 3.447 386 2HD2 LEU 58 2HD2 LEU 58 11.100 3.556 4.760 387 3HD2 LEU 58 3HD2 LEU 58 11.567 5.213 5.093 388 H GLU 59 H GLU 59 6.876 4.501 5.339 389 HA GLU 59 HA GLU 59 5.218 2.217 4.799 390 1HB GLU 59 2HB GLU 59 4.314 4.593 5.054 391 2HB GLU 59 1HB GLU 59 5.141 5.038 3.575 392 1HG GLU 59 2HG GLU 59 3.681 3.425 2.284 393 2HG GLU 59 1HG GLU 59 2.890 2.981 3.782 394 H GLY 60 H GLY 60 6.619 0.873 4.012 395 1HA GLY 60 2HA GLY 60 7.550 -0.443 2.418 396 2HA GLY 60 1HA GLY 60 6.347 0.265 1.352 397 H GLY 61 H GLY 61 8.008 2.814 2.399 398 1HA GLY 61 2HA GLY 61 9.631 3.064 -0.043 399 2HA GLY 61 1HA GLY 61 9.304 4.326 1.134 400 H TYR 62 H TYR 62 10.458 1.515 2.488 401 HA TYR 62 HA TYR 62 12.616 2.414 3.870 402 1HB TYR 62 2HB TYR 62 13.526 0.188 3.989 403 2HB TYR 62 1HB TYR 62 11.784 0.025 3.871 404 HD1 TYR 62 1HD TYR 62 10.865 -0.172 1.329 405 HD2 TYR 62 2HD TYR 62 14.857 -1.022 2.529 406 HE1 TYR 62 1HE TYR 62 11.195 -1.499 -0.700 407 HE2 TYR 62 2HE TYR 62 15.187 -2.349 0.506 408 HH TYR 62 HH TYR 62 13.009 -2.283 -2.110 409 H LYS 63 H LYS 63 14.781 2.667 3.743 410 HA LYS 63 HA LYS 63 16.124 2.390 1.103 411 1HB LYS 63 2HB LYS 63 15.312 4.673 1.155 412 2HB LYS 63 1HB LYS 63 16.057 4.969 2.723 413 1HG LYS 63 2HG LYS 63 18.290 4.698 1.662 414 2HG LYS 63 1HG LYS 63 17.525 4.346 0.117 415 1HD LYS 63 2HD LYS 63 16.495 6.631 0.176 416 2HD LYS 63 1HD LYS 63 17.279 6.936 1.719 417 1HE LYS 63 2HE LYS 63 19.510 6.628 0.647 418 2HE LYS 63 1HE LYS 63 18.725 6.322 -0.897 419 1HZ LYS 63 1HZ LYS 63 19.170 8.523 -1.056 420 2HZ LYS 63 2HZ LYS 63 18.965 8.819 0.605 421 3HZ LYS 63 3HZ LYS 63 17.608 8.596 -0.393 422 H CYS 64 H CYS 64 18.335 2.660 1.250 423 HA CYS 64 HA CYS 64 19.472 1.604 3.780 424 1HB CYS 64 2HB CYS 64 20.458 1.375 0.969 425 2HB CYS 64 1HB CYS 64 21.253 0.758 2.361 426 H GLN 65 H GLN 65 21.488 2.010 4.320 427 HA GLN 65 HA GLN 65 23.033 4.314 3.351 428 1HB GLN 65 2HB GLN 65 22.151 4.204 6.256 429 2HB GLN 65 1HB GLN 65 23.054 5.470 5.492 430 1HG GLN 65 2HG GLN 65 21.125 6.142 4.115 431 2HG GLN 65 1HG GLN 65 20.146 4.864 4.830 432 1HE2 GLN 65 1HE2 GLN 65 19.454 5.089 7.037 433 2HE2 GLN 65 2HE2 GLN 65 19.567 6.571 7.858 434 H CYS 66 H CYS 66 24.800 4.362 5.431 435 HA CYS 66 HA CYS 66 25.785 1.537 5.587 436 1HB CYS 66 2HB CYS 66 27.384 4.098 5.683 437 2HB CYS 66 1HB CYS 66 27.931 2.519 5.530 438 H GLU 67 H GLU 67 26.984 0.933 7.234 439 HA GLU 67 HA GLU 67 26.012 1.787 9.874 440 1HB GLU 67 2HB GLU 67 26.233 -0.605 9.045 441 2HB GLU 67 1HB GLU 67 27.957 -0.447 9.133 442 1HG GLU 67 2HG GLU 67 27.184 -1.540 11.187 443 2HG GLU 67 1HG GLU 67 27.779 0.054 11.607 444 H GLU 68 H GLU 68 27.264 3.856 9.187 445 HA GLU 68 HA GLU 68 28.996 5.356 9.625 446 1HB GLU 68 2HB GLU 68 29.780 3.237 11.704 447 2HB GLU 68 1HB GLU 68 30.386 4.867 11.664 448 1HG GLU 68 2HG GLU 68 27.463 4.023 12.034 449 2HG GLU 68 1HG GLU 68 28.516 4.637 13.292 450 H GLY 69 H GLY 69 30.895 2.504 10.372 451 1HA GLY 69 2HA GLY 69 33.208 3.202 8.995 452 2HA GLY 69 1HA GLY 69 32.803 1.560 9.474 453 H PHE 70 H PHE 70 30.313 1.706 7.823 454 HA PHE 70 HA PHE 70 31.452 0.699 5.419 455 1HB PHE 70 2HB PHE 70 28.665 1.053 6.456 456 2HB PHE 70 1HB PHE 70 28.907 0.530 4.796 457 HD1 PHE 70 1HD PHE 70 30.994 -0.535 7.726 458 HD2 PHE 70 2HD PHE 70 27.894 -1.591 5.009 459 HE1 PHE 70 1HE PHE 70 31.097 -2.844 8.520 460 HE2 PHE 70 2HE PHE 70 28.013 -3.907 5.794 461 HZ PHE 70 HZ PHE 70 29.609 -4.545 7.549 462 H GLN 71 H GLN 71 30.826 1.447 3.271 463 HA GLN 71 HA GLN 71 30.084 4.253 3.032 464 1HB GLN 71 2HB GLN 71 32.597 2.878 2.192 465 2HB GLN 71 1HB GLN 71 31.989 4.089 1.123 466 1HG GLN 71 2HG GLN 71 32.566 4.517 4.106 467 2HG GLN 71 1HG GLN 71 33.611 5.059 2.794 468 1HE2 GLN 71 1HE2 GLN 71 32.501 6.962 4.550 469 2HE2 GLN 71 2HE2 GLN 71 31.345 7.890 3.724 470 H LEU 72 H LEU 72 29.993 4.856 0.776 471 HA LEU 72 HA LEU 72 27.961 3.140 -0.472 472 1HB LEU 72 2HB LEU 72 27.755 5.625 -0.437 473 2HB LEU 72 1HB LEU 72 29.166 5.749 -1.467 474 HG LEU 72 HG LEU 72 27.951 4.308 -3.179 475 1HD1 LEU 72 1HD1 LEU 72 25.553 4.764 -1.366 476 2HD1 LEU 72 2HD1 LEU 72 26.306 3.212 -1.691 477 3HD1 LEU 72 3HD1 LEU 72 25.498 4.082 -2.979 478 1HD2 LEU 72 1HD2 LEU 72 26.469 6.150 -3.958 479 2HD2 LEU 72 2HD2 LEU 72 28.004 6.785 -3.379 480 3HD2 LEU 72 3HD2 LEU 72 26.568 6.903 -2.370 481 H ASP 73 H ASP 73 28.790 1.376 -1.356 482 HA ASP 73 HA ASP 73 31.315 1.279 -2.790 483 1HB ASP 73 2HB ASP 73 30.347 -0.716 -1.622 484 2HB ASP 73 1HB ASP 73 29.030 -0.760 -2.782 485 HA PRO 74 HA PRO 74 29.492 2.771 -6.618 486 1HB PRO 74 2HB PRO 74 31.597 2.517 -8.260 487 2HB PRO 74 1HB PRO 74 31.614 3.683 -6.958 488 1HG PRO 74 2HG PRO 74 32.815 0.939 -6.990 489 2HG PRO 74 1HG PRO 74 33.537 2.473 -6.473 490 1HD PRO 74 2HD PRO 74 32.483 0.700 -4.725 491 2HD PRO 74 1HD PRO 74 32.464 2.449 -4.437 492 H HIS 75 H HIS 75 29.102 2.055 -8.791 493 HA HIS 75 HA HIS 75 28.271 0.558 -10.368 494 1HB HIS 75 2HB HIS 75 30.285 -1.379 -9.128 495 2HB HIS 75 1HB HIS 75 29.501 -1.557 -10.689 496 HD1 HIS 75 1HD HIS 75 32.042 0.546 -8.998 497 HD2 HIS 75 2HD HIS 75 30.556 0.046 -12.769 498 HE1 HIS 75 1HE HIS 75 33.533 1.810 -10.507 499 H THR 76 H THR 76 27.738 0.287 -7.250 500 HA THR 76 HA THR 76 25.612 -1.771 -7.508 501 HB THR 76 HB THR 76 26.203 -2.574 -5.168 502 HG1 THR 76 1HG THR 76 28.461 -0.939 -5.632 503 1HG2 THR 76 1HG2 THR 76 28.662 -2.651 -7.035 504 2HG2 THR 76 2HG2 THR 76 27.321 -3.775 -7.181 505 3HG2 THR 76 3HG2 THR 76 28.321 -3.782 -5.739 506 H LYS 77 H LYS 77 27.032 0.818 -5.797 507 HA LYS 77 HA LYS 77 26.211 2.659 -4.611 508 1HB LYS 77 2HB LYS 77 23.658 1.840 -5.790 509 2HB LYS 77 1HB LYS 77 23.923 3.370 -4.998 510 1HG LYS 77 2HG LYS 77 25.716 3.893 -6.701 511 2HG LYS 77 1HG LYS 77 25.369 2.381 -7.511 512 1HD LYS 77 2HD LYS 77 24.238 4.211 -8.685 513 2HD LYS 77 1HD LYS 77 23.043 3.147 -7.970 514 1HE LYS 77 2HE LYS 77 22.756 4.745 -6.067 515 2HE LYS 77 1HE LYS 77 23.982 5.794 -6.765 516 1HZ LYS 77 1HZ LYS 77 21.247 5.642 -7.344 517 2HZ LYS 77 2HZ LYS 77 22.114 5.245 -8.748 518 3HZ LYS 77 3HZ LYS 77 22.407 6.719 -7.958 519 H ALA 78 H ALA 78 26.085 -0.237 -3.748 520 HA ALA 78 HA ALA 78 24.080 -0.139 -1.553 521 1HB ALA 78 1HB ALA 78 24.109 -2.153 -3.007 522 2HB ALA 78 2HB ALA 78 24.571 -2.568 -1.361 523 3HB ALA 78 3HB ALA 78 25.802 -2.413 -2.609 524 H CYS 79 H CYS 79 24.720 -0.120 0.564 525 HA CYS 79 HA CYS 79 27.458 0.684 1.085 526 1HB CYS 79 2HB CYS 79 25.118 0.252 2.898 527 2HB CYS 79 1HB CYS 79 26.692 0.638 3.520 528 H LYS 80 H LYS 80 28.992 -0.223 2.178 529 HA LYS 80 HA LYS 80 28.735 -2.766 3.567 530 1HB LYS 80 2HB LYS 80 30.424 -3.823 2.432 531 2HB LYS 80 1HB LYS 80 29.020 -3.697 1.365 532 1HG LYS 80 2HG LYS 80 30.127 -1.639 0.306 533 2HG LYS 80 1HG LYS 80 31.580 -1.998 1.209 534 1HD LYS 80 2HD LYS 80 30.323 -3.830 -0.869 535 2HD LYS 80 1HD LYS 80 31.717 -2.810 -1.123 536 1HE LYS 80 2HE LYS 80 32.478 -5.092 -0.725 537 2HE LYS 80 1HE LYS 80 32.970 -4.088 0.626 538 1HZ LYS 80 1HZ LYS 80 31.680 -5.199 2.033 539 2HZ LYS 80 2HZ LYS 80 31.717 -6.421 0.855 540 3HZ LYS 80 3HZ LYS 80 30.396 -5.359 0.931 541 H ALA 81 H ALA 81 31.047 -3.326 4.469 542 HA ALA 81 HA ALA 81 32.264 -1.220 5.839 543 1HB ALA 81 1HB ALA 81 34.200 -2.742 6.146 544 2HB ALA 81 2HB ALA 81 33.595 -3.765 4.851 545 3HB ALA 81 3HB ALA 81 32.681 -3.602 6.342 546 H VAL 82 H VAL 82 33.503 0.488 5.294 547 HA VAL 82 HA VAL 82 34.154 1.212 2.711 548 HB VAL 82 HB VAL 82 34.178 2.755 4.641 549 1HG1 VAL 82 1HG1 VAL 82 36.797 1.382 5.427 550 2HG1 VAL 82 2HG1 VAL 82 35.294 1.242 6.310 551 3HG1 VAL 82 3HG1 VAL 82 36.106 2.792 6.210 552 1HG2 VAL 82 1HG2 VAL 82 36.178 4.079 4.051 553 2HG2 VAL 82 2HG2 VAL 82 35.378 3.464 2.616 554 3HG2 VAL 82 3HG2 VAL 82 36.853 2.705 3.191 Start of MODEL 30 1 H GLY 1 H GLY 1 -25.208 -6.044 -6.414 2 1HA GLY 1 2HA GLY 1 -22.475 -6.155 -5.370 3 2HA GLY 1 1HA GLY 1 -22.646 -5.223 -6.859 4 H THR 2 H THR 2 -23.864 -5.537 -3.579 5 HA THR 2 HA THR 2 -25.466 -3.317 -3.282 6 HB THR 2 HB THR 2 -23.488 -4.381 -1.214 7 HG1 THR 2 1HG THR 2 -26.132 -5.039 -2.026 8 1HG2 THR 2 1HG2 THR 2 -26.163 -2.995 -0.773 9 2HG2 THR 2 2HG2 THR 2 -24.601 -2.263 -0.440 10 3HG2 THR 2 3HG2 THR 2 -25.109 -3.665 0.466 11 H ASN 3 H ASN 3 -25.060 -1.313 -2.158 12 HA ASN 3 HA ASN 3 -22.536 0.009 -3.036 13 1HB ASN 3 2HB ASN 3 -24.788 0.740 -3.969 14 2HB ASN 3 1HB ASN 3 -25.265 1.198 -2.350 15 1HD2 ASN 3 1HD2 ASN 3 -25.377 3.259 -4.010 16 2HD2 ASN 3 2HD2 ASN 3 -24.052 4.309 -3.851 17 H GLU 4 H GLU 4 -21.985 -1.382 -0.979 18 HA GLU 4 HA GLU 4 -22.759 -0.505 1.607 19 1HB GLU 4 2HB GLU 4 -20.955 -1.854 2.421 20 2HB GLU 4 1HB GLU 4 -21.670 -2.705 1.091 21 1HG GLU 4 2HG GLU 4 -19.072 -1.125 0.936 22 2HG GLU 4 1HG GLU 4 -19.168 -2.849 1.144 23 H CYS 5 H CYS 5 -21.146 1.195 -0.650 24 HA CYS 5 HA CYS 5 -19.053 2.434 0.776 25 1HB CYS 5 2HB CYS 5 -20.638 3.324 -1.628 26 2HB CYS 5 1HB CYS 5 -19.149 4.044 -1.114 27 H LEU 6 H LEU 6 -22.352 3.159 0.143 28 HA LEU 6 HA LEU 6 -22.809 5.732 0.910 29 1HB LEU 6 2HB LEU 6 -24.520 3.322 1.573 30 2HB LEU 6 1HB LEU 6 -25.079 4.979 1.505 31 HG LEU 6 HG LEU 6 -23.920 3.419 -0.845 32 1HD1 LEU 6 1HD1 LEU 6 -26.253 3.492 -1.701 33 2HD1 LEU 6 2HD1 LEU 6 -26.768 4.295 -0.224 34 3HD1 LEU 6 3HD1 LEU 6 -26.163 2.644 -0.164 35 1HD2 LEU 6 1HD2 LEU 6 -23.491 5.897 -1.042 36 2HD2 LEU 6 2HD2 LEU 6 -25.197 6.206 -0.762 37 3HD2 LEU 6 3HD2 LEU 6 -24.676 5.377 -2.216 38 H ASP 7 H ASP 7 -22.947 3.008 3.133 39 HA ASP 7 HA ASP 7 -22.954 4.793 5.530 40 1HB ASP 7 2HB ASP 7 -24.477 2.706 5.282 41 2HB ASP 7 1HB ASP 7 -22.998 1.758 5.316 42 H ASN 8 H ASN 8 -21.458 3.085 7.160 43 HA ASN 8 HA ASN 8 -18.866 3.985 6.966 44 1HB ASN 8 2HB ASN 8 -19.895 1.446 7.988 45 2HB ASN 8 1HB ASN 8 -18.296 2.021 8.401 46 1HD2 ASN 8 1HD2 ASN 8 -18.137 3.773 9.913 47 2HD2 ASN 8 2HD2 ASN 8 -19.475 4.380 10.764 48 H ASN 9 H ASN 9 -17.369 3.644 5.416 49 HA ASN 9 HA ASN 9 -17.574 2.324 3.047 50 1HB ASN 9 2HB ASN 9 -15.809 3.892 3.732 51 2HB ASN 9 1HB ASN 9 -15.105 2.620 4.730 52 1HD2 ASN 9 1HD2 ASN 9 -13.976 0.922 3.762 53 2HD2 ASN 9 2HD2 ASN 9 -13.476 0.986 2.149 54 H GLY 10 H GLY 10 -18.676 0.343 3.373 55 1HA GLY 10 2HA GLY 10 -18.773 -1.947 3.233 56 2HA GLY 10 1HA GLY 10 -17.025 -1.972 3.353 57 H GLY 11 H GLY 11 -17.608 -0.211 5.849 58 1HA GLY 11 2HA GLY 11 -18.895 -0.966 7.987 59 2HA GLY 11 1HA GLY 11 -17.824 -2.374 7.859 60 H CYS 12 H CYS 12 -16.361 0.272 6.502 61 HA CYS 12 HA CYS 12 -14.938 1.140 8.935 62 1HB CYS 12 2HB CYS 12 -13.852 0.496 6.196 63 2HB CYS 12 1HB CYS 12 -12.963 0.991 7.583 64 H SER 13 H SER 13 -13.319 2.640 6.744 65 HA SER 13 HA SER 13 -15.139 4.552 5.557 66 1HB SER 13 2HB SER 13 -14.471 6.488 6.973 67 2HB SER 13 1HB SER 13 -15.285 5.244 7.928 68 HG SER 13 HG SER 13 -12.473 5.518 7.596 69 H HIS 14 H HIS 14 -13.196 2.959 4.475 70 HA HIS 14 HA HIS 14 -11.031 4.813 3.662 71 1HB HIS 14 2HB HIS 14 -11.080 1.774 3.941 72 2HB HIS 14 1HB HIS 14 -9.712 2.733 3.434 73 HD1 HIS 14 1HD HIS 14 -11.239 1.457 6.358 74 HD2 HIS 14 2HD HIS 14 -8.858 4.673 5.584 75 HE1 HIS 14 1HE HIS 14 -10.351 2.203 8.546 76 H VAL 15 H VAL 15 -10.948 2.019 1.898 77 HA VAL 15 HA VAL 15 -12.503 3.178 -0.355 78 HB VAL 15 HB VAL 15 -10.078 2.864 -0.629 79 1HG1 VAL 15 1HG1 VAL 15 -10.511 -0.118 -0.246 80 2HG1 VAL 15 2HG1 VAL 15 -9.638 0.985 0.802 81 3HG1 VAL 15 3HG1 VAL 15 -9.045 0.646 -0.812 82 1HG2 VAL 15 1HG2 VAL 15 -10.196 1.531 -2.800 83 2HG2 VAL 15 2HG2 VAL 15 -11.562 2.624 -2.650 84 3HG2 VAL 15 3HG2 VAL 15 -11.762 0.914 -2.309 85 H CYS 16 H CYS 16 -14.414 2.295 -0.603 86 HA CYS 16 HA CYS 16 -15.172 -0.233 0.603 87 1HB CYS 16 2HB CYS 16 -17.364 0.346 -0.398 88 2HB CYS 16 1HB CYS 16 -16.726 1.625 0.581 89 H ASN 17 H ASN 17 -13.792 -1.698 -0.403 90 HA ASN 17 HA ASN 17 -13.792 -2.002 -3.303 91 1HB ASN 17 2HB ASN 17 -11.828 -2.531 -2.067 92 2HB ASN 17 1HB ASN 17 -12.677 -3.544 -0.942 93 1HD2 ASN 17 1HD2 ASN 17 -10.636 -4.772 -1.845 94 2HD2 ASN 17 2HD2 ASN 17 -10.954 -5.884 -3.069 95 H ASP 18 H ASP 18 -15.609 -2.440 -4.085 96 HA ASP 18 HA ASP 18 -17.722 -3.952 -2.860 97 1HB ASP 18 2HB ASP 18 -18.094 -2.056 -4.432 98 2HB ASP 18 1HB ASP 18 -17.434 -3.018 -5.739 99 H LEU 19 H LEU 19 -16.451 -5.837 -2.446 100 HA LEU 19 HA LEU 19 -15.473 -7.664 -4.336 101 1HB LEU 19 2HB LEU 19 -15.220 -7.449 -1.737 102 2HB LEU 19 1HB LEU 19 -16.767 -8.240 -1.663 103 HG LEU 19 HG LEU 19 -15.845 -10.219 -2.869 104 1HD1 LEU 19 1HD1 LEU 19 -13.369 -10.335 -3.079 105 2HD1 LEU 19 2HD1 LEU 19 -13.242 -8.692 -2.458 106 3HD1 LEU 19 3HD1 LEU 19 -13.985 -8.988 -4.018 107 1HD2 LEU 19 1HD2 LEU 19 -14.614 -11.011 -0.866 108 2HD2 LEU 19 2HD2 LEU 19 -16.032 -10.080 -0.432 109 3HD2 LEU 19 3HD2 LEU 19 -14.446 -9.348 -0.312 110 H LYS 20 H LYS 20 -16.563 -9.919 -4.638 111 HA LYS 20 HA LYS 20 -19.172 -9.489 -5.799 112 1HB LYS 20 2HB LYS 20 -19.104 -11.910 -6.262 113 2HB LYS 20 1HB LYS 20 -17.584 -11.159 -6.703 114 1HG LYS 20 2HG LYS 20 -16.566 -11.960 -4.547 115 2HG LYS 20 1HG LYS 20 -18.067 -12.777 -4.157 116 1HD LYS 20 2HD LYS 20 -16.378 -13.380 -6.605 117 2HD LYS 20 1HD LYS 20 -16.411 -14.334 -5.137 118 1HE LYS 20 2HE LYS 20 -18.845 -14.794 -5.493 119 2HE LYS 20 1HE LYS 20 -18.803 -13.864 -6.984 120 1HZ LYS 20 1HZ LYS 20 -17.122 -15.375 -7.832 121 2HZ LYS 20 2HZ LYS 20 -18.575 -16.171 -7.457 122 3HZ LYS 20 3HZ LYS 20 -17.239 -16.305 -6.415 123 H ILE 21 H ILE 21 -17.986 -11.157 -2.897 124 HA ILE 21 HA ILE 21 -20.542 -10.745 -1.519 125 HB ILE 21 HB ILE 21 -19.107 -13.420 -1.854 126 1HG1 ILE 21 2HG1 ILE 21 -21.893 -12.565 -2.781 127 2HG1 ILE 21 1HG1 ILE 21 -20.515 -12.839 -3.827 128 1HG2 ILE 21 1HG2 ILE 21 -21.566 -12.696 -0.212 129 2HG2 ILE 21 2HG2 ILE 21 -19.985 -13.109 0.440 130 3HG2 ILE 21 3HG2 ILE 21 -20.926 -14.328 -0.391 131 1HD1 ILE 21 1HD1 ILE 21 -20.443 -15.220 -3.176 132 2HD1 ILE 21 2HD1 ILE 21 -21.997 -14.784 -3.867 133 3HD1 ILE 21 3HD1 ILE 21 -21.839 -14.992 -2.135 134 H GLY 22 H GLY 22 -19.933 -9.712 0.308 135 1HA GLY 22 2HA GLY 22 -18.942 -9.480 2.394 136 2HA GLY 22 1HA GLY 22 -17.808 -10.724 1.950 137 H TYR 23 H TYR 23 -18.671 -7.615 0.719 138 HA TYR 23 HA TYR 23 -16.508 -6.478 -0.447 139 1HB TYR 23 2HB TYR 23 -18.007 -4.860 1.603 140 2HB TYR 23 1HB TYR 23 -17.365 -4.337 0.059 141 HD1 TYR 23 1HD TYR 23 -20.314 -5.346 1.651 142 HD2 TYR 23 2HD TYR 23 -18.292 -5.734 -2.049 143 HE1 TYR 23 1HE TYR 23 -22.431 -5.931 0.552 144 HE2 TYR 23 2HE TYR 23 -20.394 -6.311 -3.158 145 HH TYR 23 HH TYR 23 -22.753 -6.027 -2.841 146 H GLU 24 H GLU 24 -14.735 -5.067 0.194 147 HA GLU 24 HA GLU 24 -13.891 -5.447 3.001 148 1HB GLU 24 2HB GLU 24 -11.624 -5.886 1.921 149 2HB GLU 24 1HB GLU 24 -12.795 -7.187 1.970 150 1HG GLU 24 2HG GLU 24 -13.371 -6.503 -0.470 151 2HG GLU 24 1HG GLU 24 -12.024 -5.393 -0.371 152 H CYS 25 H CYS 25 -12.473 -4.272 3.892 153 HA CYS 25 HA CYS 25 -12.378 -1.489 3.257 154 1HB CYS 25 2HB CYS 25 -11.584 -3.032 5.712 155 2HB CYS 25 1HB CYS 25 -11.639 -1.303 5.601 156 H LEU 26 H LEU 26 -10.527 -1.895 1.466 157 HA LEU 26 HA LEU 26 -7.899 -2.454 2.625 158 1HB LEU 26 2HB LEU 26 -8.570 -1.372 -0.134 159 2HB LEU 26 1HB LEU 26 -7.066 -1.988 0.414 160 HG LEU 26 HG LEU 26 -7.864 -4.262 0.629 161 1HD1 LEU 26 1HD1 LEU 26 -10.030 -4.938 -0.211 162 2HD1 LEU 26 2HD1 LEU 26 -10.509 -3.272 -0.472 163 3HD1 LEU 26 3HD1 LEU 26 -10.285 -3.897 1.153 164 1HD2 LEU 26 1HD2 LEU 26 -8.563 -3.007 -2.057 165 2HD2 LEU 26 2HD2 LEU 26 -8.218 -4.707 -1.794 166 3HD2 LEU 26 3HD2 LEU 26 -6.959 -3.510 -1.552 167 H CYS 27 H CYS 27 -6.353 -0.605 1.370 168 HA CYS 27 HA CYS 27 -7.033 1.916 2.759 169 1HB CYS 27 2HB CYS 27 -4.411 0.755 1.941 170 2HB CYS 27 1HB CYS 27 -4.607 2.354 2.547 171 HA PRO 28 HA PRO 28 -7.362 4.424 -0.904 172 1HB PRO 28 2HB PRO 28 -5.345 6.073 0.583 173 2HB PRO 28 1HB PRO 28 -6.788 6.577 -0.245 174 1HG PRO 28 2HG PRO 28 -6.887 6.406 2.334 175 2HG PRO 28 1HG PRO 28 -8.215 5.665 1.412 176 1HD PRO 28 2HD PRO 28 -5.862 4.346 2.709 177 2HD PRO 28 1HD PRO 28 -7.570 3.850 2.653 178 H ASP 29 H ASP 29 -4.152 4.188 0.458 179 HA ASP 29 HA ASP 29 -2.735 4.757 -1.999 180 1HB ASP 29 2HB ASP 29 -0.740 4.439 -0.622 181 2HB ASP 29 1HB ASP 29 -1.900 5.439 0.215 182 H GLY 30 H GLY 30 -0.828 3.461 -2.487 183 1HA GLY 30 2HA GLY 30 -1.439 1.183 -3.893 184 2HA GLY 30 1HA GLY 30 0.181 1.673 -3.484 185 H PHE 31 H PHE 31 -0.482 1.137 -0.496 186 HA PHE 31 HA PHE 31 0.613 -1.462 -0.413 187 1HB PHE 31 2HB PHE 31 -0.985 0.055 1.663 188 2HB PHE 31 1HB PHE 31 -0.178 -1.442 1.970 189 HD1 PHE 31 1HD PHE 31 1.006 -0.039 3.771 190 HD2 PHE 31 2HD PHE 31 1.718 0.561 -0.400 191 HE1 PHE 31 1HE PHE 31 3.160 1.019 4.257 192 HE2 PHE 31 2HE PHE 31 3.832 1.606 0.103 193 HZ PHE 31 HZ PHE 31 4.577 1.830 2.417 194 H GLN 32 H GLN 32 -0.252 -3.317 0.602 195 HA GLN 32 HA GLN 32 -2.907 -4.052 -0.497 196 1HB GLN 32 2HB GLN 32 -0.468 -5.696 0.212 197 2HB GLN 32 1HB GLN 32 -1.972 -6.345 -0.383 198 1HG GLN 32 2HG GLN 32 -1.715 -4.974 -2.480 199 2HG GLN 32 1HG GLN 32 -0.196 -4.337 -1.859 200 1HE2 GLN 32 1HE2 GLN 32 -1.761 -7.201 -3.194 201 2HE2 GLN 32 2HE2 GLN 32 -0.338 -8.096 -3.417 202 H LEU 33 H LEU 33 -4.501 -4.494 0.823 203 HA LEU 33 HA LEU 33 -4.275 -4.298 3.669 204 1HB LEU 33 2HB LEU 33 -6.381 -3.954 2.243 205 2HB LEU 33 1HB LEU 33 -6.505 -5.694 2.122 206 HG LEU 33 HG LEU 33 -6.449 -5.744 4.701 207 1HD1 LEU 33 1HD1 LEU 33 -6.921 -2.749 4.337 208 2HD1 LEU 33 2HD1 LEU 33 -5.504 -3.468 5.057 209 3HD1 LEU 33 3HD1 LEU 33 -7.062 -3.626 5.838 210 1HD2 LEU 33 1HD2 LEU 33 -8.802 -4.363 3.379 211 2HD2 LEU 33 2HD2 LEU 33 -8.833 -5.168 4.939 212 3HD2 LEU 33 3HD2 LEU 33 -8.537 -6.095 3.478 213 H VAL 34 H VAL 34 -3.013 -5.739 4.715 214 HA VAL 34 HA VAL 34 -3.407 -8.651 4.154 215 HB VAL 34 HB VAL 34 -1.267 -7.868 3.299 216 1HG1 VAL 34 1HG1 VAL 34 -0.919 -5.946 4.786 217 2HG1 VAL 34 2HG1 VAL 34 0.473 -7.023 4.807 218 3HG1 VAL 34 3HG1 VAL 34 -0.656 -7.026 6.151 219 1HG2 VAL 34 1HG2 VAL 34 -0.957 -9.590 5.798 220 2HG2 VAL 34 2HG2 VAL 34 0.205 -9.476 4.490 221 3HG2 VAL 34 3HG2 VAL 34 -1.381 -10.165 4.194 222 H ALA 35 H ALA 35 -2.497 -6.334 6.653 223 HA ALA 35 HA ALA 35 -2.819 -8.265 8.741 224 1HB ALA 35 1HB ALA 35 -2.153 -6.341 10.212 225 2HB ALA 35 2HB ALA 35 -2.198 -5.298 8.798 226 3HB ALA 35 3HB ALA 35 -1.046 -6.610 8.876 227 H GLN 36 H GLN 36 -5.119 -8.331 7.628 228 HA GLN 36 HA GLN 36 -7.381 -8.370 7.981 229 1HB GLN 36 2HB GLN 36 -6.788 -6.952 10.629 230 2HB GLN 36 1HB GLN 36 -8.293 -7.716 10.178 231 1HG GLN 36 2HG GLN 36 -7.168 -9.920 9.984 232 2HG GLN 36 1HG GLN 36 -5.625 -9.182 10.397 233 1HE2 GLN 36 1HE2 GLN 36 -8.685 -10.291 11.690 234 2HE2 GLN 36 2HE2 GLN 36 -8.307 -10.029 13.324 235 H ARG 37 H ARG 37 -6.647 -5.292 9.566 236 HA ARG 37 HA ARG 37 -8.380 -3.886 7.567 237 1HB ARG 37 2HB ARG 37 -7.958 -3.192 10.506 238 2HB ARG 37 1HB ARG 37 -9.037 -2.369 9.400 239 1HG ARG 37 2HG ARG 37 -9.306 -5.265 10.328 240 2HG ARG 37 1HG ARG 37 -10.299 -3.921 10.847 241 1HD ARG 37 2HD ARG 37 -11.124 -3.616 8.515 242 2HD ARG 37 1HD ARG 37 -10.152 -4.994 7.997 243 HE ARG 37 HE ARG 37 -11.726 -5.887 10.149 244 1HH1 ARG 37 2HH1 ARG 37 -12.106 -4.652 6.933 245 2HH1 ARG 37 1HH1 ARG 37 -13.571 -5.528 6.642 246 1HH2 ARG 37 1HH2 ARG 37 -13.583 -7.013 9.803 247 2HH2 ARG 37 2HH2 ARG 37 -14.420 -6.885 8.293 248 H ARG 38 H ARG 38 -5.306 -4.256 8.787 249 HA ARG 38 HA ARG 38 -4.427 -1.518 8.078 250 1HB ARG 38 2HB ARG 38 -3.143 -3.767 9.662 251 2HB ARG 38 1HB ARG 38 -2.381 -2.232 9.329 252 1HG ARG 38 2HG ARG 38 -4.260 -1.092 10.557 253 2HG ARG 38 1HG ARG 38 -5.000 -2.657 10.857 254 1HD ARG 38 2HD ARG 38 -2.971 -3.376 12.118 255 2HD ARG 38 1HD ARG 38 -2.246 -1.790 11.845 256 HE ARG 38 HE ARG 38 -4.786 -1.351 12.996 257 1HH1 ARG 38 2HH1 ARG 38 -1.752 -2.819 13.791 258 2HH1 ARG 38 1HH1 ARG 38 -1.913 -2.511 15.487 259 1HH2 ARG 38 1HH2 ARG 38 -5.017 -0.947 15.139 260 2HH2 ARG 38 2HH2 ARG 38 -3.793 -1.432 16.265 261 H CYS 39 H CYS 39 -3.412 -1.256 6.252 262 HA CYS 39 HA CYS 39 -2.665 -3.579 4.575 263 1HB CYS 39 2HB CYS 39 -2.504 -1.885 2.772 264 2HB CYS 39 1HB CYS 39 -4.064 -1.851 3.560 265 H GLU 40 H GLU 40 -0.760 -3.571 3.361 266 HA GLU 40 HA GLU 40 1.510 -1.925 4.129 267 1HB GLU 40 2HB GLU 40 1.363 -3.574 6.015 268 2HB GLU 40 1HB GLU 40 1.533 -4.874 4.847 269 1HG GLU 40 2HG GLU 40 3.727 -3.931 4.123 270 2HG GLU 40 1HG GLU 40 3.542 -2.619 5.269 271 H ASP 41 H ASP 41 3.227 -2.147 2.723 272 HA ASP 41 HA ASP 41 2.696 -3.600 0.204 273 1HB ASP 41 2HB ASP 41 3.121 -1.260 0.066 274 2HB ASP 41 1HB ASP 41 4.632 -1.372 0.943 275 H ILE 42 H ILE 42 4.556 -4.539 -0.850 276 HA ILE 42 HA ILE 42 5.848 -6.403 0.840 277 HB ILE 42 HB ILE 42 5.340 -6.907 -1.553 278 1HG1 ILE 42 2HG1 ILE 42 8.354 -6.911 -1.009 279 2HG1 ILE 42 1HG1 ILE 42 7.229 -8.120 -0.424 280 1HG2 ILE 42 1HG2 ILE 42 7.459 -4.790 -2.215 281 2HG2 ILE 42 2HG2 ILE 42 5.734 -4.622 -2.475 282 3HG2 ILE 42 3HG2 ILE 42 6.640 -5.803 -3.385 283 1HD1 ILE 42 1HD1 ILE 42 6.679 -8.736 -2.773 284 2HD1 ILE 42 2HD1 ILE 42 8.396 -8.911 -2.449 285 3HD1 ILE 42 3HD1 ILE 42 7.817 -7.534 -3.362 286 H ASP 43 H ASP 43 8.042 -6.411 1.558 287 HA ASP 43 HA ASP 43 9.334 -3.732 1.592 288 1HB ASP 43 2HB ASP 43 9.072 -5.100 3.726 289 2HB ASP 43 1HB ASP 43 10.127 -6.318 3.036 290 H GLU 44 H GLU 44 10.362 -3.495 -0.346 291 HA GLU 44 HA GLU 44 11.549 -5.780 -1.688 292 1HB GLU 44 2HB GLU 44 12.232 -4.027 -3.378 293 2HB GLU 44 1HB GLU 44 10.524 -4.190 -3.100 294 1HG GLU 44 2HG GLU 44 12.217 -2.071 -1.778 295 2HG GLU 44 1HG GLU 44 11.421 -1.842 -3.323 296 H CYS 45 H CYS 45 12.753 -3.905 0.867 297 HA CYS 45 HA CYS 45 15.437 -3.735 -0.081 298 1HB CYS 45 2HB CYS 45 14.204 -3.344 2.640 299 2HB CYS 45 1HB CYS 45 15.904 -3.395 2.444 300 H GLN 46 H GLN 46 13.984 -5.408 2.631 301 HA GLN 46 HA GLN 46 15.874 -7.185 3.438 302 1HB GLN 46 2HB GLN 46 12.886 -7.671 3.139 303 2HB GLN 46 1HB GLN 46 13.953 -8.641 4.128 304 1HG GLN 46 2HG GLN 46 14.513 -6.642 5.507 305 2HG GLN 46 1HG GLN 46 13.457 -5.649 4.516 306 1HE2 GLN 46 1HE2 GLN 46 13.544 -8.089 7.033 307 2HE2 GLN 46 2HE2 GLN 46 11.877 -8.086 7.358 308 H ASP 47 H ASP 47 13.642 -7.648 0.777 309 HA ASP 47 HA ASP 47 14.626 -10.229 0.086 310 1HB ASP 47 2HB ASP 47 12.287 -9.638 -0.383 311 2HB ASP 47 1HB ASP 47 12.805 -8.318 -1.418 312 HA PRO 48 HA PRO 48 18.103 -8.653 -2.280 313 1HB PRO 48 2HB PRO 48 17.923 -11.156 -3.914 314 2HB PRO 48 1HB PRO 48 19.237 -10.570 -2.925 315 1HG PRO 48 2HG PRO 48 17.715 -12.642 -2.174 316 2HG PRO 48 1HG PRO 48 18.429 -11.516 -1.008 317 1HD PRO 48 2HD PRO 48 15.608 -11.703 -1.975 318 2HD PRO 48 1HD PRO 48 16.258 -11.308 -0.371 319 H ASP 49 H ASP 49 16.900 -7.026 -3.153 320 HA ASP 49 HA ASP 49 16.289 -7.241 -6.036 321 1HB ASP 49 2HB ASP 49 14.120 -7.534 -4.899 322 2HB ASP 49 1HB ASP 49 14.432 -6.133 -3.893 323 H THR 50 H THR 50 17.027 -5.412 -3.181 324 HA THR 50 HA THR 50 17.492 -2.900 -4.584 325 HB THR 50 HB THR 50 16.416 -2.905 -2.354 326 HG1 THR 50 1HG THR 50 18.041 -1.320 -2.922 327 1HG2 THR 50 1HG2 THR 50 17.344 -5.034 -1.407 328 2HG2 THR 50 2HG2 THR 50 17.556 -3.691 -0.307 329 3HG2 THR 50 3HG2 THR 50 18.914 -4.301 -1.209 330 H CYS 51 H CYS 51 19.761 -3.245 -2.242 331 HA CYS 51 HA CYS 51 21.931 -3.839 -4.176 332 1HB CYS 51 2HB CYS 51 21.764 -2.244 -1.616 333 2HB CYS 51 1HB CYS 51 23.270 -2.592 -2.413 334 H SER 52 H SER 52 23.961 -4.772 -2.954 335 HA SER 52 HA SER 52 23.439 -7.402 -2.263 336 1HB SER 52 2HB SER 52 25.810 -7.448 -1.514 337 2HB SER 52 1HB SER 52 25.650 -6.506 -2.998 338 HG SER 52 HG SER 52 26.788 -5.316 -1.474 339 H GLN 53 H GLN 53 24.097 -4.778 -0.004 340 HA GLN 53 HA GLN 53 23.142 -6.548 2.213 341 1HB GLN 53 2HB GLN 53 25.215 -4.338 2.289 342 2HB GLN 53 1HB GLN 53 24.645 -5.248 3.682 343 1HG GLN 53 2HG GLN 53 25.966 -6.482 1.246 344 2HG GLN 53 1HG GLN 53 26.808 -6.134 2.747 345 1HE2 GLN 53 1HE2 GLN 53 24.880 -8.464 1.104 346 2HE2 GLN 53 2HE2 GLN 53 24.627 -9.511 2.416 347 H LEU 54 H LEU 54 23.786 -3.300 3.127 348 HA LEU 54 HA LEU 54 21.190 -2.998 4.129 349 1HB LEU 54 2HB LEU 54 23.211 -0.870 3.553 350 2HB LEU 54 1HB LEU 54 21.745 -0.690 4.504 351 HG LEU 54 HG LEU 54 24.205 -2.243 5.249 352 1HD1 LEU 54 1HD1 LEU 54 24.094 0.263 5.511 353 2HD1 LEU 54 2HD1 LEU 54 24.086 -0.538 7.083 354 3HD1 LEU 54 3HD1 LEU 54 22.594 0.082 6.388 355 1HD2 LEU 54 1HD2 LEU 54 22.126 -3.488 5.903 356 2HD2 LEU 54 2HD2 LEU 54 21.524 -2.013 6.659 357 3HD2 LEU 54 3HD2 LEU 54 22.967 -2.807 7.292 358 H CYS 55 H CYS 55 19.838 -1.530 4.002 359 HA CYS 55 HA CYS 55 19.268 0.144 1.695 360 1HB CYS 55 2HB CYS 55 18.702 -2.150 0.888 361 2HB CYS 55 1HB CYS 55 17.657 -2.375 2.235 362 H VAL 56 H VAL 56 16.731 0.731 2.025 363 HA VAL 56 HA VAL 56 15.916 0.897 4.825 364 HB VAL 56 HB VAL 56 17.555 2.778 4.702 365 1HG1 VAL 56 1HG1 VAL 56 17.259 4.708 3.218 366 2HG1 VAL 56 2HG1 VAL 56 15.928 3.935 2.395 367 3HG1 VAL 56 3HG1 VAL 56 17.543 3.256 2.284 368 1HG2 VAL 56 1HG2 VAL 56 16.036 4.635 5.365 369 2HG2 VAL 56 2HG2 VAL 56 15.549 3.107 6.075 370 3HG2 VAL 56 3HG2 VAL 56 14.672 3.754 4.698 371 H ASN 57 H ASN 57 14.065 0.070 4.426 372 HA ASN 57 HA ASN 57 12.491 0.636 2.026 373 1HB ASN 57 2HB ASN 57 12.619 -1.676 3.002 374 2HB ASN 57 1HB ASN 57 11.829 -1.069 4.449 375 1HD2 ASN 57 1HD2 ASN 57 9.790 -2.053 4.356 376 2HD2 ASN 57 2HD2 ASN 57 8.732 -1.919 3.036 377 H LEU 58 H LEU 58 10.362 1.146 2.109 378 HA LEU 58 HA LEU 58 8.883 2.434 4.216 379 1HB LEU 58 2HB LEU 58 8.960 4.771 3.441 380 2HB LEU 58 1HB LEU 58 10.545 4.263 3.907 381 HG LEU 58 HG LEU 58 9.724 4.249 0.964 382 1HD1 LEU 58 1HD1 LEU 58 10.871 6.446 0.826 383 2HD1 LEU 58 2HD1 LEU 58 11.148 6.441 2.563 384 3HD1 LEU 58 3HD1 LEU 58 9.514 6.566 1.931 385 1HD2 LEU 58 1HD2 LEU 58 12.190 4.373 0.692 386 2HD2 LEU 58 2HD2 LEU 58 11.781 2.955 1.616 387 3HD2 LEU 58 3HD2 LEU 58 12.406 4.381 2.424 388 H GLU 59 H GLU 59 7.674 4.223 2.379 389 HA GLU 59 HA GLU 59 5.791 2.408 1.163 390 1HB GLU 59 2HB GLU 59 5.163 4.701 2.170 391 2HB GLU 59 1HB GLU 59 6.036 5.462 0.856 392 1HG GLU 59 2HG GLU 59 4.387 4.414 -0.790 393 2HG GLU 59 1HG GLU 59 3.540 3.715 0.571 394 H GLY 60 H GLY 60 7.070 1.244 0.088 395 1HA GLY 60 2HA GLY 60 7.837 0.313 -1.789 396 2HA GLY 60 1HA GLY 60 6.790 1.452 -2.620 397 H GLY 61 H GLY 61 8.668 3.419 -0.983 398 1HA GLY 61 2HA GLY 61 10.442 4.046 -3.245 399 2HA GLY 61 1HA GLY 61 10.182 5.033 -1.818 400 H TYR 62 H TYR 62 11.124 1.785 -1.416 401 HA TYR 62 HA TYR 62 13.214 2.048 0.296 402 1HB TYR 62 2HB TYR 62 14.137 -0.053 -0.383 403 2HB TYR 62 1HB TYR 62 12.407 -0.163 -0.570 404 HD1 TYR 62 1HD TYR 62 11.759 0.949 -3.195 405 HD2 TYR 62 2HD TYR 62 15.272 -1.149 -2.015 406 HE1 TYR 62 1HE TYR 62 12.174 0.324 -5.515 407 HE2 TYR 62 2HE TYR 62 15.678 -1.774 -4.340 408 HH TYR 62 HH TYR 62 13.934 -2.057 -6.491 409 H LYS 63 H LYS 63 15.354 2.577 0.408 410 HA LYS 63 HA LYS 63 16.763 3.262 -2.113 411 1HB LYS 63 2HB LYS 63 17.014 4.620 0.573 412 2HB LYS 63 1HB LYS 63 17.775 5.035 -0.914 413 1HG LYS 63 2HG LYS 63 15.602 5.580 -1.978 414 2HG LYS 63 1HG LYS 63 14.771 5.105 -0.507 415 1HD LYS 63 2HD LYS 63 15.895 6.917 0.754 416 2HD LYS 63 1HD LYS 63 16.751 7.406 -0.699 417 1HE LYS 63 2HE LYS 63 14.731 8.817 -0.337 418 2HE LYS 63 1HE LYS 63 14.579 7.892 -1.821 419 1HZ LYS 63 1HZ LYS 63 12.588 7.909 -0.357 420 2HZ LYS 63 2HZ LYS 63 13.467 6.993 0.771 421 3HZ LYS 63 3HZ LYS 63 13.149 6.361 -0.772 422 H CYS 64 H CYS 64 19.063 3.009 -1.877 423 HA CYS 64 HA CYS 64 19.776 0.702 -0.200 424 1HB CYS 64 2HB CYS 64 21.178 2.070 -2.451 425 2HB CYS 64 1HB CYS 64 21.879 0.790 -1.543 426 H GLN 65 H GLN 65 21.790 0.543 0.681 427 HA GLN 65 HA GLN 65 23.381 2.859 1.574 428 1HB GLN 65 2HB GLN 65 22.328 0.954 3.680 429 2HB GLN 65 1HB GLN 65 23.158 2.444 3.911 430 1HG GLN 65 2HG GLN 65 21.270 3.785 3.115 431 2HG GLN 65 1HG GLN 65 20.327 2.326 2.823 432 1HE2 GLN 65 1HE2 GLN 65 20.474 0.781 4.963 433 2HE2 GLN 65 2HE2 GLN 65 20.073 1.597 6.396 434 H CYS 66 H CYS 66 25.058 1.488 3.256 435 HA CYS 66 HA CYS 66 25.782 -1.005 1.827 436 1HB CYS 66 2HB CYS 66 27.712 1.108 2.687 437 2HB CYS 66 1HB CYS 66 27.987 -0.316 1.863 438 H GLU 67 H GLU 67 27.141 -2.391 2.876 439 HA GLU 67 HA GLU 67 26.737 -2.521 5.802 440 1HB GLU 67 2HB GLU 67 26.453 -4.494 4.234 441 2HB GLU 67 1HB GLU 67 28.168 -4.491 3.939 442 1HG GLU 67 2HG GLU 67 26.792 -4.976 6.625 443 2HG GLU 67 1HG GLU 67 27.528 -6.201 5.621 444 H GLU 68 H GLU 68 28.017 -0.638 6.161 445 HA GLU 68 HA GLU 68 29.905 0.583 6.671 446 1HB GLU 68 2HB GLU 68 30.818 -2.221 7.441 447 2HB GLU 68 1HB GLU 68 31.597 -0.756 7.988 448 1HG GLU 68 2HG GLU 68 28.687 -1.547 8.524 449 2HG GLU 68 1HG GLU 68 29.994 -1.613 9.689 450 H GLY 69 H GLY 69 31.694 -2.261 5.726 451 1HA GLY 69 2HA GLY 69 33.812 -0.896 4.502 452 2HA GLY 69 1HA GLY 69 33.500 -2.614 4.352 453 H PHE 70 H PHE 70 30.751 -1.961 3.191 454 HA PHE 70 HA PHE 70 31.608 -1.996 0.495 455 1HB PHE 70 2HB PHE 70 28.935 -1.895 1.826 456 2HB PHE 70 1HB PHE 70 29.063 -1.920 0.075 457 HD1 PHE 70 1HD PHE 70 27.716 -3.949 0.027 458 HD2 PHE 70 2HD PHE 70 31.409 -3.920 2.150 459 HE1 PHE 70 1HE PHE 70 27.697 -6.405 0.141 460 HE2 PHE 70 2HE PHE 70 31.370 -6.354 2.267 461 HZ PHE 70 HZ PHE 70 29.514 -7.608 1.257 462 H GLN 71 H GLN 71 30.989 -0.525 -1.134 463 HA GLN 71 HA GLN 71 30.327 2.209 -0.354 464 1HB GLN 71 2HB GLN 71 32.768 1.148 -1.704 465 2HB GLN 71 1HB GLN 71 32.174 2.667 -2.280 466 1HG GLN 71 2HG GLN 71 32.829 2.030 0.648 467 2HG GLN 71 1HG GLN 71 33.857 2.971 -0.431 468 1HE2 GLN 71 1HE2 GLN 71 32.742 4.102 1.955 469 2HE2 GLN 71 2HE2 GLN 71 31.632 5.308 1.511 470 H LEU 72 H LEU 72 30.267 3.576 -2.327 471 HA LEU 72 HA LEU 72 28.063 2.506 -3.942 472 1HB LEU 72 2HB LEU 72 28.102 4.865 -3.130 473 2HB LEU 72 1HB LEU 72 29.491 5.181 -4.150 474 HG LEU 72 HG LEU 72 28.095 4.463 -6.154 475 1HD1 LEU 72 1HD1 LEU 72 25.636 4.384 -5.896 476 2HD1 LEU 72 2HD1 LEU 72 25.802 4.525 -4.157 477 3HD1 LEU 72 3HD1 LEU 72 26.394 3.095 -4.985 478 1HD2 LEU 72 1HD2 LEU 72 28.380 6.863 -5.573 479 2HD2 LEU 72 2HD2 LEU 72 26.989 6.774 -4.499 480 3HD2 LEU 72 3HD2 LEU 72 26.777 6.575 -6.234 481 H ASP 73 H ASP 73 28.686 1.059 -5.331 482 HA ASP 73 HA ASP 73 31.132 1.160 -6.904 483 1HB ASP 73 2HB ASP 73 30.071 -0.968 -6.183 484 2HB ASP 73 1HB ASP 73 28.675 -0.648 -7.196 485 HA PRO 74 HA PRO 74 29.236 3.677 -10.093 486 1HB PRO 74 2HB PRO 74 31.181 3.665 -11.931 487 2HB PRO 74 1HB PRO 74 31.427 4.439 -10.383 488 1HG PRO 74 2HG PRO 74 32.298 1.707 -11.239 489 2HG PRO 74 1HG PRO 74 33.217 2.973 -10.406 490 1HD PRO 74 2HD PRO 74 32.066 0.882 -9.107 491 2HD PRO 74 1HD PRO 74 32.314 2.469 -8.355 492 H HIS 75 H HIS 75 28.595 3.565 -12.308 493 HA HIS 75 HA HIS 75 27.491 2.588 -14.115 494 1HB HIS 75 2HB HIS 75 29.380 0.239 -13.605 495 2HB HIS 75 1HB HIS 75 28.468 0.536 -15.073 496 HD1 HIS 75 1HD HIS 75 31.336 1.915 -13.174 497 HD2 HIS 75 2HD HIS 75 29.531 2.521 -16.785 498 HE1 HIS 75 1HE HIS 75 32.838 3.392 -14.461 499 H THR 76 H THR 76 27.198 1.568 -11.114 500 HA THR 76 HA THR 76 24.860 -0.188 -11.647 501 HB THR 76 HB THR 76 25.558 -1.587 -9.631 502 HG1 THR 76 1HG THR 76 27.936 -0.099 -9.942 503 1HG2 THR 76 1HG2 THR 76 27.485 -2.777 -10.695 504 2HG2 THR 76 2HG2 THR 76 27.836 -1.387 -11.707 505 3HG2 THR 76 3HG2 THR 76 26.382 -2.333 -11.988 506 H LYS 77 H LYS 77 26.663 1.774 -9.507 507 HA LYS 77 HA LYS 77 26.110 3.298 -7.821 508 1HB LYS 77 2HB LYS 77 23.435 3.055 -9.000 509 2HB LYS 77 1HB LYS 77 23.887 4.306 -7.873 510 1HG LYS 77 2HG LYS 77 25.690 5.048 -9.458 511 2HG LYS 77 1HG LYS 77 25.160 3.840 -10.616 512 1HD LYS 77 2HD LYS 77 22.931 4.921 -10.749 513 2HD LYS 77 1HD LYS 77 23.435 6.124 -9.572 514 1HE LYS 77 2HE LYS 77 25.248 6.868 -11.122 515 2HE LYS 77 1HE LYS 77 24.730 5.670 -12.301 516 1HZ LYS 77 1HZ LYS 77 22.598 6.746 -12.436 517 2HZ LYS 77 2HZ LYS 77 23.839 7.856 -12.767 518 3HZ LYS 77 3HZ LYS 77 23.057 7.881 -11.260 519 H ALA 78 H ALA 78 25.776 0.315 -7.660 520 HA ALA 78 HA ALA 78 23.907 0.027 -5.361 521 1HB ALA 78 1HB ALA 78 24.165 -2.407 -5.794 522 2HB ALA 78 2HB ALA 78 25.330 -2.053 -7.062 523 3HB ALA 78 3HB ALA 78 23.653 -1.565 -7.252 524 H CYS 79 H CYS 79 24.644 -0.974 -3.445 525 HA CYS 79 HA CYS 79 27.405 -0.312 -2.792 526 1HB CYS 79 2HB CYS 79 25.149 -1.348 -1.151 527 2HB CYS 79 1HB CYS 79 26.750 -1.192 -0.503 528 H LYS 80 H LYS 80 29.047 -1.560 -2.438 529 HA LYS 80 HA LYS 80 28.844 -4.388 -1.789 530 1HB LYS 80 2HB LYS 80 30.076 -5.164 -3.603 531 2HB LYS 80 1HB LYS 80 28.486 -4.641 -4.103 532 1HG LYS 80 2HG LYS 80 29.810 -3.834 -5.887 533 2HG LYS 80 1HG LYS 80 29.545 -2.445 -4.872 534 1HD LYS 80 2HD LYS 80 31.848 -2.492 -5.704 535 2HD LYS 80 1HD LYS 80 31.877 -2.634 -3.974 536 1HE LYS 80 2HE LYS 80 32.160 -5.111 -4.188 537 2HE LYS 80 1HE LYS 80 32.051 -4.969 -5.938 538 1HZ LYS 80 1HZ LYS 80 34.152 -4.344 -6.066 539 2HZ LYS 80 2HZ LYS 80 34.311 -4.852 -4.452 540 3HZ LYS 80 3HZ LYS 80 34.004 -3.220 -4.802 541 H ALA 81 H ALA 81 30.974 -5.309 -1.322 542 HA ALA 81 HA ALA 81 32.662 -3.964 0.325 543 1HB ALA 81 1HB ALA 81 32.826 -6.368 -0.109 544 2HB ALA 81 2HB ALA 81 34.413 -5.631 -0.257 545 3HB ALA 81 3HB ALA 81 33.504 -6.062 -1.701 546 H VAL 82 H VAL 82 33.672 -2.077 0.156 547 HA VAL 82 HA VAL 82 34.309 -0.631 -2.090 548 HB VAL 82 HB VAL 82 34.426 0.249 0.225 549 1HG1 VAL 82 1HG1 VAL 82 35.583 -1.701 1.305 550 2HG1 VAL 82 2HG1 VAL 82 36.414 -0.196 1.649 551 3HG1 VAL 82 3HG1 VAL 82 37.054 -1.302 0.447 552 1HG2 VAL 82 1HG2 VAL 82 35.557 1.535 -1.551 553 2HG2 VAL 82 2HG2 VAL 82 37.041 0.633 -1.290 554 3HG2 VAL 82 3HG2 VAL 82 36.423 1.689 -0.032
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