NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
629834 | 5wow | 30324 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -8.644 4.272 -5.286 2 HA2 GLY 1 2HA GLY 1 -8.624 3.121 -7.570 3 HA3 GLY 1 1HA GLY 1 -6.957 3.698 -7.629 4 H GLY 2 H GLY 2 -5.435 2.424 -6.843 5 HA2 GLY 2 2HA GLY 2 -6.206 -0.035 -5.507 6 HA3 GLY 2 1HA GLY 2 -4.581 0.417 -6.024 7 H VAL 3 H VAL 3 -7.029 1.715 -3.938 8 HA VAL 3 HA VAL 3 -5.049 2.581 -2.012 9 HB VAL 3 HB VAL 3 -6.620 4.294 -2.692 10 HG11 VAL 3 1HG1 VAL 3 -9.034 4.140 -2.314 11 HG12 VAL 3 2HG1 VAL 3 -8.833 2.451 -1.840 12 HG13 VAL 3 3HG1 VAL 3 -8.441 2.959 -3.482 13 HG21 VAL 3 1HG2 VAL 3 -7.624 4.971 -0.548 14 HG22 VAL 3 2HG2 VAL 3 -5.964 4.404 -0.354 15 HG23 VAL 3 3HG2 VAL 3 -7.311 3.358 0.093 16 H CYS 4 H CYS 4 -4.736 1.629 -0.197 17 HA CYS 4 HA CYS 4 -6.167 -0.840 0.311 18 HB2 CYS 4 2HB CYS 4 -3.610 0.277 1.426 19 HB3 CYS 4 1HB CYS 4 -4.306 -1.270 1.896 20 HA PRO 5 HA PRO 5 -8.359 1.081 3.734 21 HB2 PRO 5 2HB PRO 5 -9.493 -1.200 4.703 22 HB3 PRO 5 1HB PRO 5 -10.112 -0.358 3.278 23 HG2 PRO 5 2HG PRO 5 -8.357 -2.768 3.442 24 HG3 PRO 5 1HG PRO 5 -9.728 -2.457 2.363 25 HD2 PRO 5 2HD PRO 5 -7.152 -2.202 1.580 26 HD3 PRO 5 1HD PRO 5 -8.454 -1.194 0.914 27 H LYS 6 H LYS 6 -5.912 -1.149 3.763 28 HA LYS 6 HA LYS 6 -5.668 -1.579 6.582 29 HB2 LYS 6 2HB LYS 6 -3.878 -2.278 4.259 30 HB3 LYS 6 1HB LYS 6 -3.508 -2.700 5.923 31 HG2 LYS 6 2HG LYS 6 -5.561 -4.034 6.039 32 HG3 LYS 6 1HG LYS 6 -5.930 -3.607 4.369 33 HD2 LYS 6 2HD LYS 6 -3.949 -4.744 3.593 34 HD3 LYS 6 1HD LYS 6 -3.427 -5.045 5.247 35 HE2 LYS 6 2HE LYS 6 -4.406 -7.060 4.280 36 HE3 LYS 6 1HE LYS 6 -5.390 -6.466 5.607 37 HZ1 LYS 6 1HZ LYS 6 -5.988 -5.994 2.728 38 HZ2 LYS 6 2HZ LYS 6 -6.969 -5.584 4.038 39 HZ3 LYS 6 3HZ LYS 6 -6.694 -7.177 3.678 40 H ILE 7 H ILE 7 -3.079 -1.347 7.142 41 HA ILE 7 HA ILE 7 -2.745 1.520 7.436 42 HB ILE 7 HB ILE 7 -2.603 0.032 9.391 43 HG12 ILE 7 2HG1 ILE 7 0.082 1.290 8.750 44 HG13 ILE 7 1HG1 ILE 7 -1.295 2.114 9.468 45 HG21 ILE 7 1HG2 ILE 7 -1.777 -1.986 8.366 46 HG22 ILE 7 2HG2 ILE 7 -0.716 -1.525 9.695 47 HG23 ILE 7 3HG2 ILE 7 -0.224 -1.218 8.030 48 HD11 ILE 7 1HD1 ILE 7 0.384 1.569 11.141 49 HD12 ILE 7 2HD1 ILE 7 0.269 -0.138 10.717 50 HD13 ILE 7 3HD1 ILE 7 -1.110 0.683 11.446 51 H LEU 8 H LEU 8 -0.689 2.540 6.981 52 HA LEU 8 HA LEU 8 0.496 2.021 4.514 53 HB2 LEU 8 2HB LEU 8 0.660 4.191 5.686 54 HB3 LEU 8 1HB LEU 8 1.693 3.454 6.891 55 HG LEU 8 HG LEU 8 3.394 3.035 5.130 56 HD11 LEU 8 1HD1 LEU 8 1.977 2.984 3.175 57 HD12 LEU 8 2HD1 LEU 8 3.220 4.221 2.997 58 HD13 LEU 8 3HD1 LEU 8 1.567 4.685 3.398 59 HD21 LEU 8 1HD2 LEU 8 3.568 4.980 6.578 60 HD22 LEU 8 2HD2 LEU 8 2.544 5.908 5.485 61 HD23 LEU 8 3HD2 LEU 8 4.136 5.369 4.953 62 H GLN 9 H GLN 9 1.896 0.518 3.875 63 HA GLN 9 HA GLN 9 3.648 -0.706 5.831 64 HB2 GLN 9 2HB GLN 9 1.557 -2.033 5.718 65 HB3 GLN 9 1HB GLN 9 1.798 -2.228 3.993 66 HG2 GLN 9 2HG GLN 9 3.755 -3.566 4.361 67 HG3 GLN 9 1HG GLN 9 3.706 -3.232 6.092 68 HE21 GLN 9 1HE2 GLN 9 0.837 -3.864 4.219 69 HE22 GLN 9 2HE2 GLN 9 0.474 -5.384 4.952 70 H ARG 10 H ARG 10 5.495 -1.480 4.960 71 HA ARG 10 HA ARG 10 6.395 -0.382 2.478 72 HB2 ARG 10 2HB ARG 10 7.883 -0.479 4.333 73 HB3 ARG 10 1HB ARG 10 7.588 -2.211 4.531 74 HG2 ARG 10 2HG ARG 10 8.799 -2.600 2.425 75 HG3 ARG 10 1HG ARG 10 9.129 -0.866 2.320 76 HD2 ARG 10 2HD ARG 10 10.387 -0.913 4.352 77 HD3 ARG 10 1HD ARG 10 9.900 -2.572 4.681 78 HE ARG 10 HE ARG 10 11.234 -2.423 2.211 79 HH11 ARG 10 1HH1 ARG 10 11.922 -2.192 5.670 80 HH12 ARG 10 2HH1 ARG 10 13.500 -2.828 5.539 81 HH21 ARG 10 1HH2 ARG 10 13.401 -3.358 2.052 82 HH22 ARG 10 2HH2 ARG 10 14.354 -3.486 3.444 83 H CYS 11 H CYS 11 7.204 -1.667 0.781 84 HA CYS 11 HA CYS 11 6.053 -4.376 0.637 85 HB2 CYS 11 2HB CYS 11 5.541 -4.056 -1.725 86 HB3 CYS 11 1HB CYS 11 4.703 -2.853 -0.755 87 H ARG 12 H ARG 12 7.526 -5.863 0.198 88 HA ARG 12 HA ARG 12 10.029 -4.981 -1.067 89 HB2 ARG 12 2HB ARG 12 10.999 -7.049 -0.312 90 HB3 ARG 12 1HB ARG 12 10.054 -6.413 1.020 91 HG2 ARG 12 2HG ARG 12 8.190 -7.949 0.121 92 HG3 ARG 12 1HG ARG 12 9.509 -8.767 -0.722 93 HD2 ARG 12 2HD ARG 12 9.163 -9.864 1.315 94 HD3 ARG 12 1HD ARG 12 10.669 -8.937 1.467 95 HE ARG 12 HE ARG 12 8.207 -7.699 2.387 96 HH11 ARG 12 1HH1 ARG 12 11.225 -9.325 3.303 97 HH12 ARG 12 2HH1 ARG 12 11.136 -8.894 4.939 98 HH21 ARG 12 1HH2 ARG 12 8.085 -7.106 4.637 99 HH22 ARG 12 2HH2 ARG 12 9.302 -7.588 5.734 100 H ARG 13 H ARG 13 7.162 -6.733 -1.545 101 HA ARG 13 HA ARG 13 7.510 -6.758 -4.392 102 HB2 ARG 13 2HB ARG 13 6.830 -9.164 -4.593 103 HB3 ARG 13 1HB ARG 13 8.443 -8.948 -3.949 104 HG2 ARG 13 2HG ARG 13 7.574 -9.314 -1.691 105 HG3 ARG 13 1HG ARG 13 5.955 -9.532 -2.362 106 HD2 ARG 13 2HD ARG 13 6.755 -11.464 -3.614 107 HD3 ARG 13 1HD ARG 13 8.367 -11.243 -2.926 108 HE ARG 13 HE ARG 13 6.970 -11.434 -0.715 109 HH11 ARG 13 1HH1 ARG 13 6.698 -13.434 -3.635 110 HH12 ARG 13 2HH1 ARG 13 6.146 -14.795 -2.783 111 HH21 ARG 13 1HH2 ARG 13 6.203 -13.307 0.410 112 HH22 ARG 13 2HH2 ARG 13 5.884 -14.735 -0.468 113 H ASP 14 H ASP 14 5.315 -7.921 -5.233 114 HA ASP 14 HA ASP 14 3.259 -6.216 -4.138 115 HB2 ASP 14 2HB ASP 14 3.083 -8.237 -6.379 116 HB3 ASP 14 1HB ASP 14 1.764 -7.183 -5.900 117 H SER 15 H SER 15 3.777 -9.707 -4.263 118 HA SER 15 HA SER 15 1.393 -10.524 -3.002 119 HB2 SER 15 2HB SER 15 4.094 -11.879 -2.853 120 HB3 SER 15 1HB SER 15 2.507 -12.632 -2.702 121 HG SER 15 HG SER 15 2.153 -11.796 -4.890 122 H ASP 16 H ASP 16 4.003 -8.832 -1.833 123 HA ASP 16 HA ASP 16 4.118 -9.818 0.874 124 HB2 ASP 16 2HB ASP 16 6.067 -8.904 -0.335 125 HB3 ASP 16 1HB ASP 16 5.278 -7.338 -0.401 126 H CYS 17 H CYS 17 2.236 -7.659 -0.938 127 HA CYS 17 HA CYS 17 1.296 -6.274 1.438 128 HB2 CYS 17 2HB CYS 17 0.849 -5.656 -1.488 129 HB3 CYS 17 1HB CYS 17 0.328 -4.684 -0.116 130 HA PRO 18 HA PRO 18 -1.960 -9.423 1.019 131 HB2 PRO 18 2HB PRO 18 -2.930 -8.028 3.439 132 HB3 PRO 18 1HB PRO 18 -2.605 -9.747 3.201 133 HG2 PRO 18 2HG PRO 18 -0.972 -8.251 4.654 134 HG3 PRO 18 1HG PRO 18 -0.317 -9.482 3.557 135 HD2 PRO 18 2HD PRO 18 -0.510 -6.517 3.192 136 HD3 PRO 18 1HD PRO 18 0.834 -7.625 2.826 137 H GLY 19 H GLY 19 -3.964 -9.365 0.197 138 HA2 GLY 19 2HA GLY 19 -6.073 -8.555 -0.326 139 HA3 GLY 19 1HA GLY 19 -5.631 -7.013 0.403 140 H ALA 20 H ALA 20 -6.465 -5.886 -1.404 141 HA ALA 20 HA ALA 20 -5.417 -6.390 -4.048 142 HB1 ALA 20 1HB ALA 20 -6.808 -4.513 -4.724 143 HB2 ALA 20 2HB ALA 20 -7.077 -4.078 -3.040 144 HB3 ALA 20 3HB ALA 20 -7.731 -5.589 -3.672 145 H CYS 21 H CYS 21 -3.628 -5.673 -1.908 146 HA CYS 21 HA CYS 21 -2.691 -3.003 -2.560 147 HB2 CYS 21 2HB CYS 21 -1.804 -4.961 -0.454 148 HB3 CYS 21 1HB CYS 21 -1.138 -3.343 -0.690 149 H ILE 22 H ILE 22 -1.173 -2.721 -3.995 150 HA ILE 22 HA ILE 22 0.682 -4.922 -4.504 151 HB ILE 22 HB ILE 22 1.116 -3.875 -6.713 152 HG12 ILE 22 2HG1 ILE 22 -1.262 -2.111 -6.052 153 HG13 ILE 22 1HG1 ILE 22 0.408 -1.566 -6.125 154 HG21 ILE 22 1HG2 ILE 22 -0.999 -4.572 -7.764 155 HG22 ILE 22 2HG2 ILE 22 -1.733 -4.648 -6.159 156 HG23 ILE 22 3HG2 ILE 22 -0.401 -5.726 -6.571 157 HD11 ILE 22 1HD1 ILE 22 -1.194 -2.667 -8.428 158 HD12 ILE 22 2HD1 ILE 22 0.478 -2.111 -8.507 159 HD13 ILE 22 3HD1 ILE 22 -0.815 -0.969 -8.140 160 H CYS 23 H CYS 23 2.792 -3.989 -5.379 161 HA CYS 23 HA CYS 23 3.802 -2.223 -3.300 162 HB2 CYS 23 2HB CYS 23 4.974 -4.349 -3.853 163 HB3 CYS 23 1HB CYS 23 5.217 -3.774 -5.490 164 H ARG 24 H ARG 24 4.687 -0.177 -3.739 165 HA ARG 24 HA ARG 24 4.284 0.773 -6.495 166 HB2 ARG 24 2HB ARG 24 4.173 2.421 -3.965 167 HB3 ARG 24 1HB ARG 24 3.816 2.961 -5.594 168 HG2 ARG 24 2HG ARG 24 2.211 0.930 -4.063 169 HG3 ARG 24 1HG ARG 24 1.819 2.641 -4.187 170 HD2 ARG 24 2HD ARG 24 1.582 2.408 -6.605 171 HD3 ARG 24 1HD ARG 24 1.987 0.690 -6.488 172 HE ARG 24 HE ARG 24 -0.021 0.872 -4.796 173 HH11 ARG 24 1HH1 ARG 24 0.217 2.006 -8.153 174 HH12 ARG 24 2HH1 ARG 24 -1.450 1.959 -8.442 175 HH21 ARG 24 1HH2 ARG 24 -2.393 0.797 -5.240 176 HH22 ARG 24 2HH2 ARG 24 -2.899 1.242 -6.802 177 H GLY 25 H GLY 25 5.721 2.605 -7.051 178 HA2 GLY 25 2HA GLY 25 8.430 1.951 -6.736 179 HA3 GLY 25 1HA GLY 25 7.809 3.431 -7.450 180 H ASN 26 H ASN 26 6.387 3.868 -4.791 181 HA ASN 26 HA ASN 26 8.361 5.557 -3.623 182 HB2 ASN 26 2HB ASN 26 6.697 6.145 -1.954 183 HB3 ASN 26 1HB ASN 26 5.916 6.084 -3.526 184 HD21 ASN 26 1HD2 ASN 26 4.682 5.891 -0.908 185 HD22 ASN 26 2HD2 ASN 26 3.898 4.360 -0.866 186 H GLY 27 H GLY 27 7.596 2.247 -3.218 187 HA2 GLY 27 2HA GLY 27 9.119 0.799 -2.095 188 HA3 GLY 27 1HA GLY 27 9.518 2.116 -1.002 189 H TYR 28 H TYR 28 6.222 1.963 -1.560 190 HA TYR 28 HA TYR 28 5.795 0.273 0.768 191 HB2 TYR 28 2HB TYR 28 4.459 2.939 0.227 192 HB3 TYR 28 1HB TYR 28 4.041 1.838 1.530 193 HD1 TYR 28 1HD TYR 28 5.685 1.465 3.385 194 HD2 TYR 28 2HD TYR 28 6.259 4.456 0.423 195 HE1 TYR 28 1HE TYR 28 7.328 2.580 4.834 196 HE2 TYR 28 2HE TYR 28 7.897 5.570 1.848 197 HH TYR 28 HH TYR 28 8.332 5.690 4.316 198 H CYS 29 H CYS 29 3.393 -0.189 0.896 199 HA CYS 29 HA CYS 29 2.610 -1.339 -1.598 200 HB2 CYS 29 2HB CYS 29 1.081 -1.104 1.008 201 HB3 CYS 29 1HB CYS 29 0.661 -2.147 -0.343 202 H GLY 30 H GLY 30 0.242 -1.012 -2.235 203 HA2 GLY 30 2HA GLY 30 -0.423 1.462 -3.205 204 HA3 GLY 30 1HA GLY 30 -1.658 0.302 -2.720 205 H TYR 31 H TYR 31 -1.230 3.328 -2.536 206 HA TYR 31 HA TYR 31 -0.760 4.246 -0.026 207 HB2 TYR 31 2HB TYR 31 -2.743 5.303 -2.036 208 HB3 TYR 31 1HB TYR 31 -2.194 6.185 -0.621 209 HD1 TYR 31 1HD TYR 31 -1.382 5.122 -4.010 210 HD2 TYR 31 2HD TYR 31 0.134 6.987 -0.506 211 HE1 TYR 31 1HE TYR 31 0.486 6.026 -5.308 212 HE2 TYR 31 2HE TYR 31 2.001 7.900 -1.787 213 HH TYR 31 HH TYR 31 2.017 7.956 -5.134 214 HA PRO 32 HA PRO 32 -4.070 2.543 2.317 215 HB2 PRO 32 2HB PRO 32 -3.637 4.004 4.584 216 HB3 PRO 32 1HB PRO 32 -2.703 2.569 4.150 217 HG2 PRO 32 2HG PRO 32 -2.022 5.454 3.849 218 HG3 PRO 32 1HG PRO 32 -0.982 4.093 4.297 219 HD2 PRO 32 2HD PRO 32 -1.011 5.183 1.819 220 HD3 PRO 32 1HD PRO 32 -0.634 3.474 2.120 221 H TYR 33 H TYR 33 -5.941 3.194 3.409 222 HA TYR 33 HA TYR 33 -7.642 4.882 2.060 223 HB2 TYR 33 2HB TYR 33 -8.366 3.026 3.420 224 HB3 TYR 33 1HB TYR 33 -7.843 3.835 4.887 225 HD1 TYR 33 1HD TYR 33 -9.281 5.417 5.970 226 HD2 TYR 33 2HD TYR 33 -10.336 3.848 2.163 227 HE1 TYR 33 1HE TYR 33 -11.540 6.330 6.231 228 HE2 TYR 33 2HE TYR 33 -12.594 4.759 2.406 229 HH TYR 33 HH TYR 33 -14.115 5.437 4.233 230 H ASP 34 H ASP 34 -5.565 5.641 4.710 231 HA ASP 34 HA ASP 34 -6.828 8.083 5.444 232 HB2 ASP 34 2HB ASP 34 -4.780 8.493 6.788 233 HB3 ASP 34 1HB ASP 34 -5.522 6.931 7.104 234 H VAL 35 H VAL 35 -4.926 7.279 2.787 235 HA VAL 35 HA VAL 35 -3.931 9.988 2.398 236 HB VAL 35 HB VAL 35 -3.780 7.544 0.581 237 HG11 VAL 35 1HG1 VAL 35 -2.072 8.794 -0.669 238 HG12 VAL 35 2HG1 VAL 35 -2.373 10.198 0.355 239 HG13 VAL 35 3HG1 VAL 35 -3.641 9.597 -0.708 240 HG21 VAL 35 1HG2 VAL 35 -1.419 7.418 1.237 241 HG22 VAL 35 2HG2 VAL 35 -2.495 7.226 2.622 242 HG23 VAL 35 3HG2 VAL 35 -1.665 8.757 2.356 243 HA PRO 36 HA PRO 36 -8.109 10.406 0.745 244 HB2 PRO 36 2HB PRO 36 -8.383 13.051 1.010 245 HB3 PRO 36 1HB PRO 36 -8.407 11.969 2.405 246 HG2 PRO 36 2HG PRO 36 -6.188 13.689 1.386 247 HG3 PRO 36 1HG PRO 36 -6.690 13.390 3.057 248 HD2 PRO 36 2HD PRO 36 -4.570 12.129 1.819 249 HD3 PRO 36 1HD PRO 36 -5.460 11.466 3.202 250 H ASP 37 H ASP 37 -5.259 11.785 -0.571 251 HA ASP 37 HA ASP 37 -6.687 12.914 -2.835 252 HB2 ASP 37 2HB ASP 37 -4.524 13.787 -3.571 253 HB3 ASP 37 1HB ASP 37 -4.852 14.230 -1.905 254 H TYR 38 H TYR 38 -5.723 9.915 -2.049 255 HA TYR 38 HA TYR 38 -5.168 9.282 -4.848 256 HB2 TYR 38 2HB TYR 38 -3.253 8.653 -3.462 257 HB3 TYR 38 1HB TYR 38 -4.304 7.739 -2.382 258 HD1 TYR 38 1HD TYR 38 -4.747 5.471 -2.813 259 HD2 TYR 38 2HD TYR 38 -3.147 7.903 -5.900 260 HE1 TYR 38 1HE TYR 38 -4.531 3.502 -4.248 261 HE2 TYR 38 2HE TYR 38 -2.920 5.946 -7.340 262 HH TYR 38 HH TYR 38 -2.863 3.620 -7.290 263 H ALA 39 H ALA 39 -6.374 7.689 -5.838 264 HA ALA 39 HA ALA 39 -8.269 6.183 -4.301 265 HB1 ALA 39 1HB ALA 39 -10.101 6.797 -5.828 266 HB2 ALA 39 2HB ALA 39 -9.042 7.968 -6.616 267 HB3 ALA 39 3HB ALA 39 -9.520 8.201 -4.934 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -8.628 0.655 -8.070 2 HA2 GLY 1 2HA GLY 1 -8.005 -1.566 -7.740 3 HA3 GLY 1 1HA GLY 1 -6.613 -1.290 -8.766 4 H GLY 2 H GLY 2 -5.306 0.666 -7.448 5 HA2 GLY 2 2HA GLY 2 -4.158 -0.896 -5.290 6 HA3 GLY 2 1HA GLY 2 -3.491 0.575 -5.974 7 H VAL 3 H VAL 3 -6.357 -0.427 -4.190 8 HA VAL 3 HA VAL 3 -5.945 1.835 -2.360 9 HB VAL 3 HB VAL 3 -8.593 0.582 -3.168 10 HG11 VAL 3 1HG1 VAL 3 -8.062 2.946 -1.356 11 HG12 VAL 3 2HG1 VAL 3 -8.554 1.339 -0.831 12 HG13 VAL 3 3HG1 VAL 3 -9.649 2.312 -1.807 13 HG21 VAL 3 1HG2 VAL 3 -7.463 3.300 -3.804 14 HG22 VAL 3 2HG2 VAL 3 -9.098 2.767 -4.179 15 HG23 VAL 3 3HG2 VAL 3 -7.715 1.982 -4.949 16 H CYS 4 H CYS 4 -5.393 1.124 -0.474 17 HA CYS 4 HA CYS 4 -6.178 -1.580 0.349 18 HB2 CYS 4 2HB CYS 4 -3.793 0.081 1.182 19 HB3 CYS 4 1HB CYS 4 -4.161 -1.542 1.753 20 HA PRO 5 HA PRO 5 -8.578 0.661 3.380 21 HB2 PRO 5 2HB PRO 5 -9.226 -1.428 5.003 22 HB3 PRO 5 1HB PRO 5 -10.001 -1.131 3.445 23 HG2 PRO 5 2HG PRO 5 -7.752 -2.997 4.102 24 HG3 PRO 5 1HG PRO 5 -9.199 -3.302 3.119 25 HD2 PRO 5 2HD PRO 5 -6.820 -2.751 2.005 26 HD3 PRO 5 1HD PRO 5 -8.339 -2.159 1.299 27 H LYS 6 H LYS 6 -5.686 -0.931 4.000 28 HA LYS 6 HA LYS 6 -5.548 -0.125 6.788 29 HB2 LYS 6 2HB LYS 6 -3.232 -1.220 6.676 30 HB3 LYS 6 1HB LYS 6 -4.645 -2.255 6.575 31 HG2 LYS 6 2HG LYS 6 -4.342 -2.532 4.217 32 HG3 LYS 6 1HG LYS 6 -3.061 -1.317 4.193 33 HD2 LYS 6 2HD LYS 6 -1.575 -2.701 5.389 34 HD3 LYS 6 1HD LYS 6 -2.867 -3.788 5.893 35 HE2 LYS 6 2HE LYS 6 -2.002 -3.421 3.029 36 HE3 LYS 6 1HE LYS 6 -1.364 -4.680 4.089 37 HZ1 LYS 6 1HZ LYS 6 -3.231 -5.516 2.721 38 HZ2 LYS 6 2HZ LYS 6 -4.244 -4.359 3.378 39 HZ3 LYS 6 3HZ LYS 6 -3.597 -5.538 4.358 40 H ILE 7 H ILE 7 -3.150 0.615 7.349 41 HA ILE 7 HA ILE 7 -2.864 3.208 6.073 42 HB ILE 7 HB ILE 7 -1.818 1.959 8.645 43 HG12 ILE 7 2HG1 ILE 7 -2.928 3.954 9.733 44 HG13 ILE 7 1HG1 ILE 7 -3.575 4.371 8.158 45 HG21 ILE 7 1HG2 ILE 7 -0.631 3.983 9.266 46 HG22 ILE 7 2HG2 ILE 7 -0.939 4.653 7.667 47 HG23 ILE 7 3HG2 ILE 7 0.065 3.214 7.840 48 HD11 ILE 7 1HD1 ILE 7 -4.819 2.260 8.128 49 HD12 ILE 7 2HD1 ILE 7 -5.230 3.246 9.531 50 HD13 ILE 7 3HD1 ILE 7 -4.160 1.855 9.712 51 H LEU 8 H LEU 8 -0.649 3.956 5.444 52 HA LEU 8 HA LEU 8 0.628 2.556 3.525 53 HB2 LEU 8 2HB LEU 8 1.756 4.568 5.437 54 HB3 LEU 8 1HB LEU 8 2.729 3.881 4.159 55 HG LEU 8 HG LEU 8 0.181 5.442 3.695 56 HD11 LEU 8 1HD1 LEU 8 1.663 7.258 3.018 57 HD12 LEU 8 2HD1 LEU 8 3.066 6.288 3.462 58 HD13 LEU 8 3HD1 LEU 8 1.940 6.826 4.705 59 HD21 LEU 8 1HD2 LEU 8 0.981 5.526 1.386 60 HD22 LEU 8 2HD2 LEU 8 0.743 3.860 1.902 61 HD23 LEU 8 3HD2 LEU 8 2.371 4.534 1.824 62 H GLN 9 H GLN 9 1.481 0.686 3.477 63 HA GLN 9 HA GLN 9 3.037 -0.343 5.752 64 HB2 GLN 9 2HB GLN 9 0.962 -1.608 4.960 65 HB3 GLN 9 1HB GLN 9 1.812 -1.873 3.449 66 HG2 GLN 9 2HG GLN 9 3.659 -2.905 4.894 67 HG3 GLN 9 1HG GLN 9 2.439 -2.959 6.164 68 HE21 GLN 9 1HE2 GLN 9 3.453 -4.170 3.126 69 HE22 GLN 9 2HE2 GLN 9 2.417 -5.543 3.076 70 H ARG 10 H ARG 10 5.033 -1.356 5.163 71 HA ARG 10 HA ARG 10 6.373 -0.229 2.869 72 HB2 ARG 10 2HB ARG 10 7.418 -0.640 5.069 73 HB3 ARG 10 1HB ARG 10 7.281 -2.385 4.793 74 HG2 ARG 10 2HG ARG 10 9.521 -1.775 4.359 75 HG3 ARG 10 1HG ARG 10 8.770 -1.974 2.775 76 HD2 ARG 10 2HD ARG 10 8.463 0.445 2.610 77 HD3 ARG 10 1HD ARG 10 9.174 0.644 4.212 78 HE ARG 10 HE ARG 10 11.017 -0.728 2.714 79 HH11 ARG 10 1HH1 ARG 10 9.547 2.493 2.763 80 HH12 ARG 10 2HH1 ARG 10 10.761 3.256 1.866 81 HH21 ARG 10 1HH2 ARG 10 12.766 0.320 1.484 82 HH22 ARG 10 2HH2 ARG 10 12.635 1.967 1.104 83 H CYS 11 H CYS 11 7.337 -1.603 1.280 84 HA CYS 11 HA CYS 11 6.150 -4.281 0.959 85 HB2 CYS 11 2HB CYS 11 5.376 -3.893 -1.276 86 HB3 CYS 11 1HB CYS 11 4.641 -2.704 -0.211 87 H ARG 12 H ARG 12 7.087 -5.522 -0.629 88 HA ARG 12 HA ARG 12 9.525 -4.505 -1.882 89 HB2 ARG 12 2HB ARG 12 10.552 -6.750 -1.760 90 HB3 ARG 12 1HB ARG 12 10.260 -6.074 -0.170 91 HG2 ARG 12 2HG ARG 12 8.242 -7.488 0.014 92 HG3 ARG 12 1HG ARG 12 8.635 -8.197 -1.552 93 HD2 ARG 12 2HD ARG 12 9.384 -9.590 0.313 94 HD3 ARG 12 1HD ARG 12 10.735 -9.029 -0.679 95 HE ARG 12 HE ARG 12 10.338 -7.208 1.391 96 HH11 ARG 12 1HH1 ARG 12 11.406 -10.567 1.058 97 HH12 ARG 12 2HH1 ARG 12 12.453 -10.511 2.396 98 HH21 ARG 12 1HH2 ARG 12 11.789 -7.136 3.228 99 HH22 ARG 12 2HH2 ARG 12 12.668 -8.514 3.671 100 H ARG 13 H ARG 13 6.703 -6.569 -2.070 101 HA ARG 13 HA ARG 13 6.472 -6.011 -4.850 102 HB2 ARG 13 2HB ARG 13 6.141 -8.357 -5.553 103 HB3 ARG 13 1HB ARG 13 7.790 -8.068 -5.048 104 HG2 ARG 13 2HG ARG 13 7.356 -9.207 -2.948 105 HG3 ARG 13 1HG ARG 13 5.652 -9.378 -3.375 106 HD2 ARG 13 2HD ARG 13 6.272 -10.752 -5.300 107 HD3 ARG 13 1HD ARG 13 7.975 -10.580 -4.880 108 HE ARG 13 HE ARG 13 7.037 -11.589 -2.641 109 HH11 ARG 13 1HH1 ARG 13 6.301 -12.627 -5.961 110 HH12 ARG 13 2HH1 ARG 13 6.022 -14.237 -5.525 111 HH21 ARG 13 1HH2 ARG 13 6.707 -13.808 -2.081 112 HH22 ARG 13 2HH2 ARG 13 6.297 -14.938 -3.279 113 H ASP 14 H ASP 14 4.379 -7.329 -5.572 114 HA ASP 14 HA ASP 14 2.283 -6.230 -4.058 115 HB2 ASP 14 2HB ASP 14 0.742 -7.390 -5.569 116 HB3 ASP 14 1HB ASP 14 2.054 -6.655 -6.474 117 H SER 15 H SER 15 3.502 -9.550 -4.189 118 HA SER 15 HA SER 15 1.517 -10.720 -2.592 119 HB2 SER 15 2HB SER 15 4.381 -11.592 -2.921 120 HB3 SER 15 1HB SER 15 2.983 -12.608 -2.557 121 HG SER 15 HG SER 15 2.139 -11.752 -4.630 122 H ASP 16 H ASP 16 3.950 -8.576 -1.763 123 HA ASP 16 HA ASP 16 4.340 -9.572 0.932 124 HB2 ASP 16 2HB ASP 16 6.261 -8.694 -0.306 125 HB3 ASP 16 1HB ASP 16 5.449 -7.147 -0.487 126 H CYS 17 H CYS 17 2.226 -7.587 -0.757 127 HA CYS 17 HA CYS 17 1.396 -6.230 1.699 128 HB2 CYS 17 2HB CYS 17 0.741 -5.518 -1.170 129 HB3 CYS 17 1HB CYS 17 0.323 -4.595 0.268 130 HA PRO 18 HA PRO 18 -1.690 -9.564 1.199 131 HB2 PRO 18 2HB PRO 18 -2.710 -8.272 3.669 132 HB3 PRO 18 1HB PRO 18 -2.376 -9.977 3.352 133 HG2 PRO 18 2HG PRO 18 -0.745 -8.556 4.886 134 HG3 PRO 18 1HG PRO 18 -0.103 -9.743 3.734 135 HD2 PRO 18 2HD PRO 18 -0.208 -6.759 3.514 136 HD3 PRO 18 1HD PRO 18 1.082 -7.885 3.037 137 H GLY 19 H GLY 19 -3.627 -9.485 0.287 138 HA2 GLY 19 2HA GLY 19 -5.801 -8.627 -0.027 139 HA3 GLY 19 1HA GLY 19 -5.197 -7.048 0.475 140 H ALA 20 H ALA 20 -6.206 -6.289 -1.450 141 HA ALA 20 HA ALA 20 -5.173 -7.076 -4.042 142 HB1 ALA 20 1HB ALA 20 -7.521 -6.476 -3.790 143 HB2 ALA 20 2HB ALA 20 -6.721 -5.331 -4.865 144 HB3 ALA 20 3HB ALA 20 -7.069 -4.880 -3.198 145 H CYS 21 H CYS 21 -3.351 -6.026 -2.135 146 HA CYS 21 HA CYS 21 -2.791 -3.292 -2.927 147 HB2 CYS 21 2HB CYS 21 -1.557 -5.076 -0.850 148 HB3 CYS 21 1HB CYS 21 -1.067 -3.414 -1.163 149 H ILE 22 H ILE 22 -0.957 -2.660 -3.952 150 HA ILE 22 HA ILE 22 0.870 -4.756 -4.824 151 HB ILE 22 HB ILE 22 1.338 -3.584 -6.891 152 HG12 ILE 22 2HG1 ILE 22 0.884 -1.231 -6.162 153 HG13 ILE 22 1HG1 ILE 22 0.170 -1.614 -7.715 154 HG21 ILE 22 1HG2 ILE 22 -0.344 -5.237 -7.024 155 HG22 ILE 22 2HG2 ILE 22 -0.736 -3.916 -8.124 156 HG23 ILE 22 3HG2 ILE 22 -1.594 -4.069 -6.590 157 HD11 ILE 22 1HD1 ILE 22 -1.313 -0.241 -6.406 158 HD12 ILE 22 2HD1 ILE 22 -1.264 -1.386 -5.074 159 HD13 ILE 22 3HD1 ILE 22 -2.024 -1.844 -6.600 160 H CYS 23 H CYS 23 2.996 -3.790 -5.381 161 HA CYS 23 HA CYS 23 3.801 -2.059 -3.196 162 HB2 CYS 23 2HB CYS 23 4.984 -4.205 -3.653 163 HB3 CYS 23 1HB CYS 23 5.447 -3.584 -5.226 164 H ARG 24 H ARG 24 4.426 0.016 -3.512 165 HA ARG 24 HA ARG 24 4.302 1.062 -6.216 166 HB2 ARG 24 2HB ARG 24 4.290 2.431 -3.514 167 HB3 ARG 24 1HB ARG 24 4.214 3.268 -5.059 168 HG2 ARG 24 2HG ARG 24 2.168 1.245 -4.169 169 HG3 ARG 24 1HG ARG 24 2.012 2.979 -3.893 170 HD2 ARG 24 2HD ARG 24 2.322 1.684 -6.613 171 HD3 ARG 24 1HD ARG 24 0.789 2.201 -5.908 172 HE ARG 24 HE ARG 24 2.439 4.363 -5.756 173 HH11 ARG 24 1HH1 ARG 24 1.157 2.435 -8.453 174 HH12 ARG 24 2HH1 ARG 24 1.146 3.752 -9.533 175 HH21 ARG 24 1HH2 ARG 24 2.414 6.119 -7.236 176 HH22 ARG 24 2HH2 ARG 24 1.866 5.900 -8.830 177 H GLY 25 H GLY 25 5.934 2.715 -6.758 178 HA2 GLY 25 2HA GLY 25 8.439 1.471 -6.808 179 HA3 GLY 25 1HA GLY 25 8.089 3.091 -7.366 180 H ASN 26 H ASN 26 7.210 3.772 -4.548 181 HA ASN 26 HA ASN 26 9.847 4.564 -3.691 182 HB2 ASN 26 2HB ASN 26 8.799 6.046 -2.132 183 HB3 ASN 26 1HB ASN 26 7.940 6.169 -3.657 184 HD21 ASN 26 1HD2 ASN 26 7.101 6.884 -1.021 185 HD22 ASN 26 2HD2 ASN 26 5.654 6.012 -0.699 186 H GLY 27 H GLY 27 7.795 1.960 -2.968 187 HA2 GLY 27 2HA GLY 27 8.807 0.217 -1.647 188 HA3 GLY 27 1HA GLY 27 9.443 1.458 -0.578 189 H TYR 28 H TYR 28 6.324 2.267 -1.373 190 HA TYR 28 HA TYR 28 5.294 0.899 1.007 191 HB2 TYR 28 2HB TYR 28 4.517 3.532 -0.236 192 HB3 TYR 28 1HB TYR 28 3.497 2.706 0.935 193 HD1 TYR 28 1HD TYR 28 6.541 4.643 0.438 194 HD2 TYR 28 2HD TYR 28 4.219 2.476 3.247 195 HE1 TYR 28 1HE TYR 28 7.783 5.694 2.262 196 HE2 TYR 28 2HE TYR 28 5.450 3.521 5.085 197 HH TYR 28 HH TYR 28 7.472 6.198 4.596 198 H CYS 29 H CYS 29 2.992 0.332 0.895 199 HA CYS 29 HA CYS 29 2.525 -1.044 -1.601 200 HB2 CYS 29 2HB CYS 29 0.815 -0.953 0.896 201 HB3 CYS 29 1HB CYS 29 0.600 -2.049 -0.460 202 H GLY 30 H GLY 30 0.121 -1.051 -2.309 203 HA2 GLY 30 2HA GLY 30 -0.758 1.224 -3.508 204 HA3 GLY 30 1HA GLY 30 -1.874 -0.009 -2.947 205 H TYR 31 H TYR 31 -2.441 2.746 -3.128 206 HA TYR 31 HA TYR 31 -1.882 4.243 -0.875 207 HB2 TYR 31 2HB TYR 31 -4.075 4.543 -2.914 208 HB3 TYR 31 1HB TYR 31 -3.745 5.717 -1.646 209 HD1 TYR 31 1HD TYR 31 -1.381 6.715 -1.563 210 HD2 TYR 31 2HD TYR 31 -2.931 4.670 -4.955 211 HE1 TYR 31 1HE TYR 31 0.292 7.796 -2.967 212 HE2 TYR 31 2HE TYR 31 -1.248 5.748 -6.376 213 HH TYR 31 HH TYR 31 1.422 7.367 -5.105 214 HA PRO 32 HA PRO 32 -4.507 2.700 2.370 215 HB2 PRO 32 2HB PRO 32 -4.250 5.608 3.003 216 HB3 PRO 32 1HB PRO 32 -4.104 4.210 4.076 217 HG2 PRO 32 2HG PRO 32 -1.950 5.472 3.197 218 HG3 PRO 32 1HG PRO 32 -1.973 3.704 3.347 219 HD2 PRO 32 2HD PRO 32 -2.053 5.403 0.922 220 HD3 PRO 32 1HD PRO 32 -1.424 3.760 1.149 221 H TYR 33 H TYR 33 -6.536 3.375 3.361 222 HA TYR 33 HA TYR 33 -8.578 3.467 1.496 223 HB2 TYR 33 2HB TYR 33 -8.532 2.510 3.872 224 HB3 TYR 33 1HB TYR 33 -8.923 4.126 4.397 225 HD1 TYR 33 1HD TYR 33 -11.139 4.844 4.498 226 HD2 TYR 33 2HD TYR 33 -10.184 1.438 2.139 227 HE1 TYR 33 1HE TYR 33 -13.520 4.445 4.119 228 HE2 TYR 33 2HE TYR 33 -12.559 1.018 1.762 229 HH TYR 33 HH TYR 33 -14.712 1.540 2.648 230 H ASP 34 H ASP 34 -6.913 6.081 2.807 231 HA ASP 34 HA ASP 34 -9.028 7.985 2.670 232 HB2 ASP 34 2HB ASP 34 -7.358 9.744 2.836 233 HB3 ASP 34 1HB ASP 34 -7.075 8.518 4.060 234 H VAL 35 H VAL 35 -7.045 6.530 0.288 235 HA VAL 35 HA VAL 35 -8.257 8.379 -1.638 236 HB VAL 35 HB VAL 35 -5.711 6.777 -2.103 237 HG11 VAL 35 1HG1 VAL 35 -7.012 7.169 -4.136 238 HG12 VAL 35 2HG1 VAL 35 -5.495 8.068 -4.166 239 HG13 VAL 35 3HG1 VAL 35 -7.010 8.898 -3.812 240 HG21 VAL 35 1HG2 VAL 35 -4.530 8.921 -2.046 241 HG22 VAL 35 2HG2 VAL 35 -5.332 8.593 -0.506 242 HG23 VAL 35 3HG2 VAL 35 -6.038 9.740 -1.642 243 HA PRO 36 HA PRO 36 -10.080 4.230 -2.471 244 HB2 PRO 36 2HB PRO 36 -12.689 5.437 -2.442 245 HB3 PRO 36 1HB PRO 36 -12.024 4.281 -1.288 246 HG2 PRO 36 2HG PRO 36 -12.609 6.878 -0.657 247 HG3 PRO 36 1HG PRO 36 -11.378 5.916 0.172 248 HD2 PRO 36 2HD PRO 36 -11.025 7.953 -2.006 249 HD3 PRO 36 1HD PRO 36 -10.073 7.712 -0.521 250 H ASP 37 H ASP 37 -10.120 7.260 -3.869 251 HA ASP 37 HA ASP 37 -11.688 6.629 -6.199 252 HB2 ASP 37 2HB ASP 37 -11.161 8.895 -6.937 253 HB3 ASP 37 1HB ASP 37 -11.726 8.896 -5.275 254 H TYR 38 H TYR 38 -8.780 5.614 -5.323 255 HA TYR 38 HA TYR 38 -7.467 6.030 -7.875 256 HB2 TYR 38 2HB TYR 38 -6.169 6.162 -5.733 257 HB3 TYR 38 1HB TYR 38 -6.509 4.455 -5.464 258 HD1 TYR 38 1HD TYR 38 -5.085 6.693 -8.092 259 HD2 TYR 38 2HD TYR 38 -4.864 2.951 -6.092 260 HE1 TYR 38 1HE TYR 38 -3.077 6.154 -9.359 261 HE2 TYR 38 2HE TYR 38 -2.844 2.387 -7.361 262 HH TYR 38 HH TYR 38 -1.131 4.719 -9.164 263 H ALA 39 H ALA 39 -6.742 4.198 -9.130 264 HA ALA 39 HA ALA 39 -8.870 2.276 -9.346 265 HB1 ALA 39 1HB ALA 39 -8.166 3.533 -11.315 266 HB2 ALA 39 2HB ALA 39 -7.932 1.797 -11.530 267 HB3 ALA 39 3HB ALA 39 -6.552 2.836 -11.180 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -9.568 4.124 -6.711 2 HA2 GLY 1 2HA GLY 1 -11.748 4.461 -4.906 3 HA3 GLY 1 1HA GLY 1 -11.729 3.407 -6.324 4 H GLY 2 H GLY 2 -9.819 1.693 -5.933 5 HA2 GLY 2 2HA GLY 2 -10.677 0.108 -3.681 6 HA3 GLY 2 1HA GLY 2 -9.556 -0.383 -4.954 7 H VAL 3 H VAL 3 -9.861 1.155 -1.862 8 HA VAL 3 HA VAL 3 -7.088 1.924 -1.803 9 HB VAL 3 HB VAL 3 -7.675 2.707 0.489 10 HG11 VAL 3 1HG1 VAL 3 -8.988 4.656 -0.316 11 HG12 VAL 3 2HG1 VAL 3 -9.276 3.788 -1.828 12 HG13 VAL 3 3HG1 VAL 3 -7.639 4.251 -1.374 13 HG21 VAL 3 1HG2 VAL 3 -10.487 2.014 -0.372 14 HG22 VAL 3 2HG2 VAL 3 -10.072 2.966 1.049 15 HG23 VAL 3 3HG2 VAL 3 -9.579 1.275 0.946 16 H CYS 4 H CYS 4 -5.686 1.265 -0.102 17 HA CYS 4 HA CYS 4 -5.989 -1.520 0.539 18 HB2 CYS 4 2HB CYS 4 -3.771 -0.433 -0.125 19 HB3 CYS 4 1HB CYS 4 -3.755 0.345 1.449 20 HA PRO 5 HA PRO 5 -8.260 -0.623 4.276 21 HB2 PRO 5 2HB PRO 5 -7.343 -3.244 5.264 22 HB3 PRO 5 1HB PRO 5 -8.983 -2.663 4.979 23 HG2 PRO 5 2HG PRO 5 -7.838 -4.465 3.366 24 HG3 PRO 5 1HG PRO 5 -8.940 -3.226 2.747 25 HD2 PRO 5 2HD PRO 5 -5.956 -3.345 2.611 26 HD3 PRO 5 1HD PRO 5 -7.146 -2.794 1.409 27 H LYS 6 H LYS 6 -4.964 -1.708 4.469 28 HA LYS 6 HA LYS 6 -4.796 -0.959 7.273 29 HB2 LYS 6 2HB LYS 6 -2.503 -1.845 7.203 30 HB3 LYS 6 1HB LYS 6 -3.704 -3.015 6.678 31 HG2 LYS 6 2HG LYS 6 -3.044 -2.831 4.426 32 HG3 LYS 6 1HG LYS 6 -2.123 -1.358 4.739 33 HD2 LYS 6 2HD LYS 6 -0.646 -3.286 4.471 34 HD3 LYS 6 1HD LYS 6 -0.544 -2.615 6.097 35 HE2 LYS 6 2HE LYS 6 -2.096 -4.387 6.873 36 HE3 LYS 6 1HE LYS 6 -2.065 -5.075 5.248 37 HZ1 LYS 6 1HZ LYS 6 0.352 -5.303 5.491 38 HZ2 LYS 6 2HZ LYS 6 -0.497 -6.224 6.630 39 HZ3 LYS 6 3HZ LYS 6 0.235 -4.771 7.085 40 H ILE 7 H ILE 7 -2.309 -0.045 7.583 41 HA ILE 7 HA ILE 7 -2.441 2.614 6.445 42 HB ILE 7 HB ILE 7 -0.613 3.140 8.047 43 HG12 ILE 7 2HG1 ILE 7 -0.959 0.267 8.971 44 HG13 ILE 7 1HG1 ILE 7 0.436 0.883 8.098 45 HG21 ILE 7 1HG2 ILE 7 -1.957 2.923 10.094 46 HG22 ILE 7 2HG2 ILE 7 -3.024 1.802 9.247 47 HG23 ILE 7 3HG2 ILE 7 -2.904 3.472 8.710 48 HD11 ILE 7 1HD1 ILE 7 0.899 0.674 10.474 49 HD12 ILE 7 2HD1 ILE 7 -0.458 1.736 10.843 50 HD13 ILE 7 3HD1 ILE 7 0.943 2.365 9.977 51 H LEU 8 H LEU 8 0.320 3.284 6.482 52 HA LEU 8 HA LEU 8 0.964 2.294 3.890 53 HB2 LEU 8 2HB LEU 8 2.455 4.228 5.676 54 HB3 LEU 8 1HB LEU 8 2.964 3.792 4.069 55 HG LEU 8 HG LEU 8 0.823 4.794 3.194 56 HD11 LEU 8 1HD1 LEU 8 -0.402 6.360 4.594 57 HD12 LEU 8 2HD1 LEU 8 0.577 5.908 5.980 58 HD13 LEU 8 3HD1 LEU 8 -0.506 4.724 5.248 59 HD21 LEU 8 1HD2 LEU 8 2.934 5.971 3.092 60 HD22 LEU 8 2HD2 LEU 8 2.674 6.611 4.715 61 HD23 LEU 8 3HD2 LEU 8 1.608 7.093 3.395 62 H GLN 9 H GLN 9 1.468 0.241 4.005 63 HA GLN 9 HA GLN 9 3.606 -0.768 5.705 64 HB2 GLN 9 2HB GLN 9 1.641 -2.185 5.268 65 HB3 GLN 9 1HB GLN 9 1.918 -2.063 3.538 66 HG2 GLN 9 2HG GLN 9 4.137 -3.188 3.933 67 HG3 GLN 9 1HG GLN 9 3.597 -3.497 5.577 68 HE21 GLN 9 1HE2 GLN 9 4.264 -5.260 3.374 69 HE22 GLN 9 2HE2 GLN 9 2.928 -6.305 3.113 70 H ARG 10 H ARG 10 5.602 -1.511 4.835 71 HA ARG 10 HA ARG 10 6.461 -0.326 2.325 72 HB2 ARG 10 2HB ARG 10 7.967 -0.324 4.247 73 HB3 ARG 10 1HB ARG 10 7.922 -2.095 4.310 74 HG2 ARG 10 2HG ARG 10 8.985 -2.080 2.046 75 HG3 ARG 10 1HG ARG 10 9.138 -0.333 2.189 76 HD2 ARG 10 2HD ARG 10 10.534 -0.607 4.172 77 HD3 ARG 10 1HD ARG 10 10.353 -2.361 4.065 78 HE ARG 10 HE ARG 10 11.366 -1.145 1.686 79 HH11 ARG 10 1HH1 ARG 10 12.323 -2.538 4.817 80 HH12 ARG 10 2HH1 ARG 10 13.918 -2.866 4.317 81 HH21 ARG 10 1HH2 ARG 10 13.558 -1.590 1.047 82 HH22 ARG 10 2HH2 ARG 10 14.638 -2.316 2.146 83 H CYS 11 H CYS 11 7.355 -1.666 0.684 84 HA CYS 11 HA CYS 11 6.359 -4.431 0.740 85 HB2 CYS 11 2HB CYS 11 5.633 -4.280 -1.615 86 HB3 CYS 11 1HB CYS 11 4.728 -3.215 -0.552 87 H ARG 12 H ARG 12 7.749 -5.903 0.213 88 HA ARG 12 HA ARG 12 10.237 -5.134 -1.129 89 HB2 ARG 12 2HB ARG 12 11.105 -7.258 -0.481 90 HB3 ARG 12 1HB ARG 12 10.170 -6.696 0.891 91 HG2 ARG 12 2HG ARG 12 8.267 -8.096 -0.209 92 HG3 ARG 12 1HG ARG 12 9.614 -8.923 -0.998 93 HD2 ARG 12 2HD ARG 12 9.083 -10.089 0.972 94 HD3 ARG 12 1HD ARG 12 10.610 -9.231 1.271 95 HE ARG 12 HE ARG 12 8.263 -7.767 2.017 96 HH11 ARG 12 1HH1 ARG 12 10.667 -10.095 3.215 97 HH12 ARG 12 2HH1 ARG 12 10.265 -9.847 4.845 98 HH21 ARG 12 1HH2 ARG 12 7.745 -7.449 4.222 99 HH22 ARG 12 2HH2 ARG 12 8.610 -8.278 5.437 100 H ARG 13 H ARG 13 7.279 -6.722 -1.662 101 HA ARG 13 HA ARG 13 7.623 -6.739 -4.497 102 HB2 ARG 13 2HB ARG 13 6.955 -9.096 -4.773 103 HB3 ARG 13 1HB ARG 13 8.527 -8.945 -4.034 104 HG2 ARG 13 2HG ARG 13 7.460 -9.351 -1.820 105 HG3 ARG 13 1HG ARG 13 5.929 -9.632 -2.654 106 HD2 ARG 13 2HD ARG 13 7.042 -11.742 -2.151 107 HD3 ARG 13 1HD ARG 13 6.974 -11.483 -3.891 108 HE ARG 13 HE ARG 13 9.375 -10.439 -3.092 109 HH11 ARG 13 1HH1 ARG 13 7.867 -13.636 -2.970 110 HH12 ARG 13 2HH1 ARG 13 9.348 -14.466 -3.020 111 HH21 ARG 13 1HH2 ARG 13 11.363 -11.564 -3.202 112 HH22 ARG 13 2HH2 ARG 13 11.381 -13.265 -3.190 113 H ASP 14 H ASP 14 5.387 -7.910 -5.308 114 HA ASP 14 HA ASP 14 3.427 -6.120 -4.155 115 HB2 ASP 14 2HB ASP 14 1.945 -6.713 -5.982 116 HB3 ASP 14 1HB ASP 14 3.561 -6.369 -6.596 117 H SER 15 H SER 15 3.870 -9.580 -4.289 118 HA SER 15 HA SER 15 1.418 -10.339 -3.085 119 HB2 SER 15 2HB SER 15 2.949 -11.882 -4.323 120 HB3 SER 15 1HB SER 15 4.104 -11.754 -3.005 121 HG SER 15 HG SER 15 1.925 -12.485 -1.817 122 H ASP 16 H ASP 16 4.153 -8.819 -1.889 123 HA ASP 16 HA ASP 16 4.106 -9.699 0.825 124 HB2 ASP 16 2HB ASP 16 6.120 -8.856 -0.280 125 HB3 ASP 16 1HB ASP 16 5.364 -7.289 -0.488 126 H CYS 17 H CYS 17 2.335 -7.421 -1.049 127 HA CYS 17 HA CYS 17 1.320 -6.101 1.338 128 HB2 CYS 17 2HB CYS 17 0.708 -5.582 -1.589 129 HB3 CYS 17 1HB CYS 17 0.200 -4.590 -0.228 130 HA PRO 18 HA PRO 18 -1.737 -9.401 1.074 131 HB2 PRO 18 2HB PRO 18 -3.047 -8.777 3.375 132 HB3 PRO 18 1HB PRO 18 -1.521 -9.667 3.343 133 HG2 PRO 18 2HG PRO 18 -2.018 -6.766 3.846 134 HG3 PRO 18 1HG PRO 18 -0.927 -7.875 4.695 135 HD2 PRO 18 2HD PRO 18 -0.064 -6.126 2.843 136 HD3 PRO 18 1HD PRO 18 0.699 -7.713 3.064 137 H GLY 19 H GLY 19 -3.712 -9.517 0.252 138 HA2 GLY 19 2HA GLY 19 -5.893 -8.886 -0.244 139 HA3 GLY 19 1HA GLY 19 -5.557 -7.307 0.469 140 H ALA 20 H ALA 20 -6.610 -6.457 -1.427 141 HA ALA 20 HA ALA 20 -5.328 -6.799 -3.993 142 HB1 ALA 20 1HB ALA 20 -7.520 -4.914 -3.127 143 HB2 ALA 20 2HB ALA 20 -7.743 -6.513 -3.836 144 HB3 ALA 20 3HB ALA 20 -7.016 -5.219 -4.789 145 H CYS 21 H CYS 21 -3.813 -5.709 -1.821 146 HA CYS 21 HA CYS 21 -3.275 -2.934 -2.557 147 HB2 CYS 21 2HB CYS 21 -1.997 -4.702 -0.450 148 HB3 CYS 21 1HB CYS 21 -1.759 -2.966 -0.607 149 H ILE 22 H ILE 22 -1.469 -2.426 -3.788 150 HA ILE 22 HA ILE 22 0.170 -4.717 -4.641 151 HB ILE 22 HB ILE 22 0.657 -3.396 -6.692 152 HG12 ILE 22 2HG1 ILE 22 -1.493 -1.520 -5.665 153 HG13 ILE 22 1HG1 ILE 22 0.223 -1.144 -5.750 154 HG21 ILE 22 1HG2 ILE 22 -2.257 -3.932 -6.181 155 HG22 ILE 22 2HG2 ILE 22 -1.057 -5.094 -6.749 156 HG23 ILE 22 3HG2 ILE 22 -1.520 -3.732 -7.771 157 HD11 ILE 22 1HD1 ILE 22 -1.006 -0.126 -7.583 158 HD12 ILE 22 2HD1 ILE 22 -1.585 -1.715 -8.091 159 HD13 ILE 22 3HD1 ILE 22 0.134 -1.331 -8.186 160 H CYS 23 H CYS 23 2.402 -3.794 -5.514 161 HA CYS 23 HA CYS 23 3.497 -2.303 -3.265 162 HB2 CYS 23 2HB CYS 23 4.616 -4.407 -3.963 163 HB3 CYS 23 1HB CYS 23 4.887 -3.724 -5.558 164 H ARG 24 H ARG 24 4.699 -0.340 -3.603 165 HA ARG 24 HA ARG 24 4.306 0.855 -6.248 166 HB2 ARG 24 2HB ARG 24 4.134 2.200 -3.545 167 HB3 ARG 24 1HB ARG 24 4.117 3.046 -5.080 168 HG2 ARG 24 2HG ARG 24 2.051 0.996 -4.316 169 HG3 ARG 24 1HG ARG 24 1.881 2.708 -3.952 170 HD2 ARG 24 2HD ARG 24 0.656 2.201 -5.967 171 HD3 ARG 24 1HD ARG 24 2.039 3.197 -6.378 172 HE ARG 24 HE ARG 24 2.614 0.422 -6.698 173 HH11 ARG 24 1HH1 ARG 24 0.992 3.154 -8.253 174 HH12 ARG 24 2HH1 ARG 24 1.052 2.482 -9.812 175 HH21 ARG 24 1HH2 ARG 24 2.764 -0.459 -8.873 176 HH22 ARG 24 2HH2 ARG 24 2.059 0.402 -10.161 177 H GLY 25 H GLY 25 5.912 2.324 -6.898 178 HA2 GLY 25 2HA GLY 25 8.514 1.368 -6.498 179 HA3 GLY 25 1HA GLY 25 8.072 2.822 -7.369 180 H ASN 26 H ASN 26 6.774 3.802 -4.801 181 HA ASN 26 HA ASN 26 9.097 5.148 -3.855 182 HB2 ASN 26 2HB ASN 26 7.690 6.408 -2.397 183 HB3 ASN 26 1HB ASN 26 6.857 6.245 -3.931 184 HD21 ASN 26 1HD2 ASN 26 5.823 6.894 -1.348 185 HD22 ASN 26 2HD2 ASN 26 4.624 5.724 -0.949 186 H GLY 27 H GLY 27 7.671 2.189 -3.047 187 HA2 GLY 27 2HA GLY 27 9.128 0.767 -1.721 188 HA3 GLY 27 1HA GLY 27 9.353 2.132 -0.639 189 H TYR 28 H TYR 28 6.290 2.477 -1.290 190 HA TYR 28 HA TYR 28 5.531 0.814 0.994 191 HB2 TYR 28 2HB TYR 28 4.293 3.371 -0.032 192 HB3 TYR 28 1HB TYR 28 3.689 2.426 1.325 193 HD1 TYR 28 1HD TYR 28 4.880 2.414 3.455 194 HD2 TYR 28 2HD TYR 28 6.289 4.700 0.167 195 HE1 TYR 28 1HE TYR 28 6.355 3.666 4.959 196 HE2 TYR 28 2HE TYR 28 7.762 5.945 1.638 197 HH TYR 28 HH TYR 28 8.443 4.998 4.790 198 H CYS 29 H CYS 29 3.240 0.194 0.964 199 HA CYS 29 HA CYS 29 2.637 -1.070 -1.523 200 HB2 CYS 29 2HB CYS 29 1.099 -0.981 1.083 201 HB3 CYS 29 1HB CYS 29 0.600 -1.911 -0.322 202 H GLY 30 H GLY 30 0.364 -0.967 -2.300 203 HA2 GLY 30 2HA GLY 30 -0.216 1.421 -3.489 204 HA3 GLY 30 1HA GLY 30 -1.372 0.116 -3.273 205 H TYR 31 H TYR 31 -1.889 2.836 -3.325 206 HA TYR 31 HA TYR 31 -1.906 4.309 -1.060 207 HB2 TYR 31 2HB TYR 31 -3.935 4.269 -3.271 208 HB3 TYR 31 1HB TYR 31 -3.880 5.505 -2.021 209 HD1 TYR 31 1HD TYR 31 -2.117 7.153 -1.982 210 HD2 TYR 31 2HD TYR 31 -2.173 4.134 -4.970 211 HE1 TYR 31 1HE TYR 31 -0.443 8.395 -3.266 212 HE2 TYR 31 2HE TYR 31 -0.500 5.364 -6.252 213 HH TYR 31 HH TYR 31 0.248 7.713 -6.464 214 HA PRO 32 HA PRO 32 -4.570 2.056 1.766 215 HB2 PRO 32 2HB PRO 32 -3.790 4.386 3.408 216 HB3 PRO 32 1HB PRO 32 -3.678 2.664 3.781 217 HG2 PRO 32 2HG PRO 32 -1.500 4.079 3.221 218 HG3 PRO 32 1HG PRO 32 -1.682 2.415 2.638 219 HD2 PRO 32 2HD PRO 32 -2.024 4.984 1.142 220 HD3 PRO 32 1HD PRO 32 -1.280 3.444 0.643 221 H TYR 33 H TYR 33 -6.241 2.779 3.198 222 HA TYR 33 HA TYR 33 -8.398 3.906 1.961 223 HB2 TYR 33 2HB TYR 33 -9.434 4.020 4.173 224 HB3 TYR 33 1HB TYR 33 -8.603 2.486 3.872 225 HD1 TYR 33 1HD TYR 33 -6.528 1.952 5.138 226 HD2 TYR 33 2HD TYR 33 -8.723 5.519 5.902 227 HE1 TYR 33 1HE TYR 33 -5.328 2.237 7.234 228 HE2 TYR 33 2HE TYR 33 -7.526 5.812 7.994 229 HH TYR 33 HH TYR 33 -4.734 4.170 8.759 230 H ASP 34 H ASP 34 -5.964 5.567 3.700 231 HA ASP 34 HA ASP 34 -7.505 7.922 4.127 232 HB2 ASP 34 2HB ASP 34 -5.562 9.002 5.000 233 HB3 ASP 34 1HB ASP 34 -5.551 7.343 5.567 234 H VAL 35 H VAL 35 -5.961 6.761 1.346 235 HA VAL 35 HA VAL 35 -6.286 9.422 0.142 236 HB VAL 35 HB VAL 35 -4.505 7.181 -0.896 237 HG11 VAL 35 1HG1 VAL 35 -4.824 10.021 -1.871 238 HG12 VAL 35 2HG1 VAL 35 -5.368 8.567 -2.701 239 HG13 VAL 35 3HG1 VAL 35 -3.643 8.860 -2.478 240 HG21 VAL 35 1HG2 VAL 35 -3.716 9.777 0.417 241 HG22 VAL 35 2HG2 VAL 35 -2.605 8.589 -0.268 242 HG23 VAL 35 3HG2 VAL 35 -3.591 8.176 1.136 243 HA PRO 36 HA PRO 36 -9.437 6.668 -1.761 244 HB2 PRO 36 2HB PRO 36 -11.519 8.510 -1.181 245 HB3 PRO 36 1HB PRO 36 -11.185 6.990 -0.354 246 HG2 PRO 36 2HG PRO 36 -10.937 9.535 0.769 247 HG3 PRO 36 1HG PRO 36 -10.220 8.049 1.411 248 HD2 PRO 36 2HD PRO 36 -8.978 10.202 -0.236 249 HD3 PRO 36 1HD PRO 36 -8.273 9.239 1.085 250 H ASP 37 H ASP 37 -8.442 9.864 -2.229 251 HA ASP 37 HA ASP 37 -10.215 10.532 -4.380 252 HB2 ASP 37 2HB ASP 37 -8.923 12.552 -4.650 253 HB3 ASP 37 1HB ASP 37 -9.180 12.259 -2.936 254 H TYR 38 H TYR 38 -7.138 8.981 -4.131 255 HA TYR 38 HA TYR 38 -6.947 9.101 -7.043 256 HB2 TYR 38 2HB TYR 38 -4.884 9.810 -5.933 257 HB3 TYR 38 1HB TYR 38 -4.819 8.298 -5.033 258 HD1 TYR 38 1HD TYR 38 -4.558 9.755 -8.432 259 HD2 TYR 38 2HD TYR 38 -3.848 6.352 -5.988 260 HE1 TYR 38 1HE TYR 38 -3.314 8.710 -10.254 261 HE2 TYR 38 2HE TYR 38 -2.590 5.298 -7.801 262 HH TYR 38 HH TYR 38 -1.587 6.995 -10.543 263 H ALA 39 H ALA 39 -7.702 7.047 -4.537 264 HA ALA 39 HA ALA 39 -7.613 4.781 -6.373 265 HB1 ALA 39 1HB ALA 39 -5.734 4.599 -4.848 266 HB2 ALA 39 2HB ALA 39 -6.919 3.320 -4.562 267 HB3 ALA 39 3HB ALA 39 -6.834 4.704 -3.473 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -11.327 3.944 -2.969 2 HA2 GLY 1 2HA GLY 1 -12.897 2.677 -4.581 3 HA3 GLY 1 1HA GLY 1 -11.493 2.796 -5.645 4 H GLY 2 H GLY 2 -10.141 1.146 -5.569 5 HA2 GLY 2 2HA GLY 2 -10.403 -0.870 -3.531 6 HA3 GLY 2 1HA GLY 2 -9.287 -0.898 -4.891 7 H VAL 3 H VAL 3 -9.858 0.700 -1.807 8 HA VAL 3 HA VAL 3 -7.093 1.434 -1.577 9 HB VAL 3 HB VAL 3 -7.828 2.436 0.555 10 HG11 VAL 3 1HG1 VAL 3 -7.764 3.834 -1.356 11 HG12 VAL 3 2HG1 VAL 3 -9.233 4.236 -0.465 12 HG13 VAL 3 3HG1 VAL 3 -9.325 3.247 -1.925 13 HG21 VAL 3 1HG2 VAL 3 -10.240 2.680 1.004 14 HG22 VAL 3 2HG2 VAL 3 -9.687 1.009 1.128 15 HG23 VAL 3 3HG2 VAL 3 -10.578 1.542 -0.298 16 H CYS 4 H CYS 4 -5.787 0.720 0.021 17 HA CYS 4 HA CYS 4 -6.314 -1.894 1.058 18 HB2 CYS 4 2HB CYS 4 -3.989 -0.003 1.478 19 HB3 CYS 4 1HB CYS 4 -4.071 -1.630 2.140 20 HA PRO 5 HA PRO 5 -8.174 -0.342 4.881 21 HB2 PRO 5 2HB PRO 5 -7.710 -3.104 5.832 22 HB3 PRO 5 1HB PRO 5 -9.221 -2.196 5.723 23 HG2 PRO 5 2HG PRO 5 -8.708 -4.205 4.037 24 HG3 PRO 5 1HG PRO 5 -9.540 -2.739 3.491 25 HD2 PRO 5 2HD PRO 5 -6.678 -3.528 3.144 26 HD3 PRO 5 1HD PRO 5 -7.807 -2.800 1.975 27 H LYS 6 H LYS 6 -5.197 -1.922 4.452 28 HA LYS 6 HA LYS 6 -4.131 -1.501 7.085 29 HB2 LYS 6 2HB LYS 6 -2.914 -2.349 4.460 30 HB3 LYS 6 1HB LYS 6 -1.931 -2.080 5.887 31 HG2 LYS 6 2HG LYS 6 -4.217 -4.029 5.778 32 HG3 LYS 6 1HG LYS 6 -2.537 -4.464 5.447 33 HD2 LYS 6 2HD LYS 6 -1.915 -3.709 7.706 34 HD3 LYS 6 1HD LYS 6 -3.594 -3.293 8.031 35 HE2 LYS 6 2HE LYS 6 -2.612 -6.062 7.349 36 HE3 LYS 6 1HE LYS 6 -2.906 -5.479 8.985 37 HZ1 LYS 6 1HZ LYS 6 -4.782 -6.741 8.154 38 HZ2 LYS 6 2HZ LYS 6 -4.964 -5.697 6.843 39 HZ3 LYS 6 3HZ LYS 6 -5.210 -5.137 8.414 40 H ILE 7 H ILE 7 -1.634 -0.466 6.572 41 HA ILE 7 HA ILE 7 -2.226 2.323 5.877 42 HB ILE 7 HB ILE 7 -0.358 2.869 7.429 43 HG12 ILE 7 2HG1 ILE 7 -0.458 -0.077 8.137 44 HG13 ILE 7 1HG1 ILE 7 0.844 0.709 7.254 45 HG21 ILE 7 1HG2 ILE 7 -2.666 2.940 8.217 46 HG22 ILE 7 2HG2 ILE 7 -1.579 2.418 9.505 47 HG23 ILE 7 3HG2 ILE 7 -2.569 1.234 8.653 48 HD11 ILE 7 1HD1 ILE 7 1.450 0.355 9.561 49 HD12 ILE 7 2HD1 ILE 7 0.029 1.252 10.098 50 HD13 ILE 7 3HD1 ILE 7 1.318 2.083 9.230 51 H LEU 8 H LEU 8 0.236 3.353 5.557 52 HA LEU 8 HA LEU 8 1.238 2.043 3.223 53 HB2 LEU 8 2HB LEU 8 2.259 4.462 4.712 54 HB3 LEU 8 1HB LEU 8 3.160 3.752 3.401 55 HG LEU 8 HG LEU 8 2.081 5.611 2.531 56 HD11 LEU 8 1HD1 LEU 8 0.582 4.764 0.826 57 HD12 LEU 8 2HD1 LEU 8 0.458 3.239 1.695 58 HD13 LEU 8 3HD1 LEU 8 2.012 3.756 1.036 59 HD21 LEU 8 1HD2 LEU 8 -0.468 4.644 3.792 60 HD22 LEU 8 2HD2 LEU 8 -0.364 5.993 2.663 61 HD23 LEU 8 3HD2 LEU 8 0.455 6.082 4.222 62 H GLN 9 H GLN 9 1.716 0.082 3.981 63 HA GLN 9 HA GLN 9 3.965 -0.327 5.775 64 HB2 GLN 9 2HB GLN 9 2.585 -2.275 3.917 65 HB3 GLN 9 1HB GLN 9 3.665 -2.686 5.234 66 HG2 GLN 9 2HG GLN 9 2.025 -1.891 6.847 67 HG3 GLN 9 1HG GLN 9 0.953 -1.411 5.534 68 HE21 GLN 9 1HE2 GLN 9 1.649 -3.814 3.930 69 HE22 GLN 9 2HE2 GLN 9 0.838 -5.116 4.707 70 H ARG 10 H ARG 10 5.935 -1.337 4.930 71 HA ARG 10 HA ARG 10 6.596 -0.298 2.325 72 HB2 ARG 10 2HB ARG 10 8.843 -1.190 2.720 73 HB3 ARG 10 1HB ARG 10 8.301 -0.216 4.074 74 HG2 ARG 10 2HG ARG 10 7.809 -2.257 5.332 75 HG3 ARG 10 1HG ARG 10 8.309 -3.230 3.954 76 HD2 ARG 10 2HD ARG 10 10.120 -3.165 5.517 77 HD3 ARG 10 1HD ARG 10 10.562 -2.207 4.113 78 HE ARG 10 HE ARG 10 9.466 -0.859 6.468 79 HH11 ARG 10 1HH1 ARG 10 12.237 -1.410 4.321 80 HH12 ARG 10 2HH1 ARG 10 13.232 -0.258 5.079 81 HH21 ARG 10 1HH2 ARG 10 10.882 0.718 7.531 82 HH22 ARG 10 2HH2 ARG 10 12.466 0.943 6.970 83 H CYS 11 H CYS 11 7.442 -1.702 0.635 84 HA CYS 11 HA CYS 11 6.176 -4.352 0.795 85 HB2 CYS 11 2HB CYS 11 5.761 -4.196 -1.679 86 HB3 CYS 11 1HB CYS 11 4.833 -3.055 -0.719 87 H ARG 12 H ARG 12 7.403 -6.035 0.437 88 HA ARG 12 HA ARG 12 10.091 -5.552 -0.647 89 HB2 ARG 12 2HB ARG 12 9.019 -8.181 0.479 90 HB3 ARG 12 1HB ARG 12 10.676 -7.862 0.008 91 HG2 ARG 12 2HG ARG 12 10.684 -7.783 2.356 92 HG3 ARG 12 1HG ARG 12 10.684 -6.089 1.858 93 HD2 ARG 12 2HD ARG 12 8.260 -6.023 2.144 94 HD3 ARG 12 1HD ARG 12 8.279 -7.697 2.666 95 HE ARG 12 HE ARG 12 9.960 -6.340 4.356 96 HH11 ARG 12 1HH1 ARG 12 6.542 -6.218 3.372 97 HH12 ARG 12 2HH1 ARG 12 5.977 -5.630 4.866 98 HH21 ARG 12 1HH2 ARG 12 9.140 -5.481 6.453 99 HH22 ARG 12 2HH2 ARG 12 7.469 -5.177 6.622 100 H ARG 13 H ARG 13 7.067 -6.517 -1.558 101 HA ARG 13 HA ARG 13 7.618 -6.675 -4.250 102 HB2 ARG 13 2HB ARG 13 6.854 -9.010 -4.716 103 HB3 ARG 13 1HB ARG 13 8.397 -8.980 -3.914 104 HG2 ARG 13 2HG ARG 13 7.325 -9.577 -1.810 105 HG3 ARG 13 1HG ARG 13 5.744 -9.552 -2.596 106 HD2 ARG 13 2HD ARG 13 8.041 -11.398 -3.283 107 HD3 ARG 13 1HD ARG 13 6.622 -11.851 -2.348 108 HE ARG 13 HE ARG 13 6.427 -10.910 -5.120 109 HH11 ARG 13 1HH1 ARG 13 5.664 -13.376 -2.675 110 HH12 ARG 13 2HH1 ARG 13 4.690 -14.306 -3.697 111 HH21 ARG 13 1HH2 ARG 13 5.046 -12.167 -6.527 112 HH22 ARG 13 2HH2 ARG 13 4.309 -13.593 -5.969 113 H ASP 14 H ASP 14 5.406 -7.635 -5.259 114 HA ASP 14 HA ASP 14 3.421 -5.821 -4.229 115 HB2 ASP 14 2HB ASP 14 3.190 -7.901 -6.408 116 HB3 ASP 14 1HB ASP 14 1.879 -6.838 -5.940 117 H SER 15 H SER 15 3.568 -9.326 -4.490 118 HA SER 15 HA SER 15 1.132 -9.798 -3.153 119 HB2 SER 15 2HB SER 15 2.171 -11.459 -4.648 120 HB3 SER 15 1HB SER 15 3.481 -11.668 -3.493 121 HG SER 15 HG SER 15 1.544 -12.078 -2.010 122 H ASP 16 H ASP 16 4.053 -8.775 -1.957 123 HA ASP 16 HA ASP 16 4.047 -9.953 0.618 124 HB2 ASP 16 2HB ASP 16 6.080 -8.996 -0.221 125 HB3 ASP 16 1HB ASP 16 5.310 -7.437 -0.467 126 H CYS 17 H CYS 17 2.466 -7.251 -0.854 127 HA CYS 17 HA CYS 17 1.415 -6.336 1.685 128 HB2 CYS 17 2HB CYS 17 0.901 -5.352 -1.135 129 HB3 CYS 17 1HB CYS 17 0.409 -4.547 0.347 130 HA PRO 18 HA PRO 18 -1.787 -9.392 0.888 131 HB2 PRO 18 2HB PRO 18 -3.193 -9.016 3.177 132 HB3 PRO 18 1HB PRO 18 -1.676 -9.920 3.120 133 HG2 PRO 18 2HG PRO 18 -2.163 -7.094 3.964 134 HG3 PRO 18 1HG PRO 18 -1.119 -8.320 4.701 135 HD2 PRO 18 2HD PRO 18 -0.177 -6.348 3.098 136 HD3 PRO 18 1HD PRO 18 0.588 -7.946 3.206 137 H GLY 19 H GLY 19 -3.818 -9.392 0.113 138 HA2 GLY 19 2HA GLY 19 -5.974 -8.648 -0.271 139 HA3 GLY 19 1HA GLY 19 -5.550 -7.107 0.466 140 H ALA 20 H ALA 20 -6.421 -5.949 -1.228 141 HA ALA 20 HA ALA 20 -5.575 -6.380 -3.956 142 HB1 ALA 20 1HB ALA 20 -7.833 -5.592 -3.419 143 HB2 ALA 20 2HB ALA 20 -6.981 -4.442 -4.451 144 HB3 ALA 20 3HB ALA 20 -7.156 -4.119 -2.725 145 H CYS 21 H CYS 21 -3.578 -5.716 -1.915 146 HA CYS 21 HA CYS 21 -2.731 -3.003 -2.570 147 HB2 CYS 21 2HB CYS 21 -1.557 -4.982 -0.641 148 HB3 CYS 21 1HB CYS 21 -1.071 -3.300 -0.832 149 H ILE 22 H ILE 22 -1.138 -2.600 -3.958 150 HA ILE 22 HA ILE 22 0.585 -4.835 -4.755 151 HB ILE 22 HB ILE 22 0.994 -3.561 -6.867 152 HG12 ILE 22 2HG1 ILE 22 -1.177 -1.740 -5.778 153 HG13 ILE 22 1HG1 ILE 22 0.491 -1.298 -6.112 154 HG21 ILE 22 1HG2 ILE 22 -1.886 -4.233 -6.280 155 HG22 ILE 22 2HG2 ILE 22 -0.638 -5.348 -6.843 156 HG23 ILE 22 3HG2 ILE 22 -1.196 -4.041 -7.890 157 HD11 ILE 22 1HD1 ILE 22 0.104 -1.647 -8.497 158 HD12 ILE 22 2HD1 ILE 22 -1.013 -0.459 -7.826 159 HD13 ILE 22 3HD1 ILE 22 -1.567 -2.101 -8.161 160 H CYS 23 H CYS 23 2.786 -3.851 -5.606 161 HA CYS 23 HA CYS 23 3.813 -2.273 -3.360 162 HB2 CYS 23 2HB CYS 23 5.003 -4.366 -3.988 163 HB3 CYS 23 1HB CYS 23 5.289 -3.715 -5.591 164 H ARG 24 H ARG 24 4.536 -0.170 -3.605 165 HA ARG 24 HA ARG 24 4.169 0.927 -6.286 166 HB2 ARG 24 2HB ARG 24 4.001 2.276 -3.593 167 HB3 ARG 24 1HB ARG 24 3.917 3.121 -5.127 168 HG2 ARG 24 2HG ARG 24 1.968 0.995 -4.248 169 HG3 ARG 24 1HG ARG 24 1.707 2.727 -4.068 170 HD2 ARG 24 2HD ARG 24 0.529 1.981 -6.032 171 HD3 ARG 24 1HD ARG 24 1.897 2.955 -6.548 172 HE ARG 24 HE ARG 24 2.556 0.191 -6.515 173 HH11 ARG 24 1HH1 ARG 24 0.809 2.585 -8.481 174 HH12 ARG 24 2HH1 ARG 24 0.974 1.697 -9.914 175 HH21 ARG 24 1HH2 ARG 24 2.796 -0.987 -8.516 176 HH22 ARG 24 2HH2 ARG 24 2.169 -0.350 -9.947 177 H GLY 25 H GLY 25 5.537 2.708 -6.913 178 HA2 GLY 25 2HA GLY 25 8.201 1.953 -7.036 179 HA3 GLY 25 1HA GLY 25 7.565 3.523 -7.485 180 H ASN 26 H ASN 26 6.625 4.186 -4.871 181 HA ASN 26 HA ASN 26 8.969 5.376 -3.807 182 HB2 ASN 26 2HB ASN 26 7.565 6.333 -2.088 183 HB3 ASN 26 1HB ASN 26 6.689 6.383 -3.608 184 HD21 ASN 26 1HD2 ASN 26 5.615 6.560 -0.975 185 HD22 ASN 26 2HD2 ASN 26 4.529 5.242 -0.754 186 H GLY 27 H GLY 27 7.557 2.318 -3.273 187 HA2 GLY 27 2HA GLY 27 8.925 0.646 -2.229 188 HA3 GLY 27 1HA GLY 27 9.498 1.874 -1.110 189 H TYR 28 H TYR 28 6.220 2.263 -1.560 190 HA TYR 28 HA TYR 28 5.687 0.671 0.826 191 HB2 TYR 28 2HB TYR 28 4.502 3.322 -0.006 192 HB3 TYR 28 1HB TYR 28 3.832 2.326 1.282 193 HD1 TYR 28 1HD TYR 28 6.470 4.652 0.363 194 HD2 TYR 28 2HD TYR 28 5.155 1.917 3.334 195 HE1 TYR 28 1HE TYR 28 8.037 5.648 1.962 196 HE2 TYR 28 2HE TYR 28 6.708 2.898 4.942 197 HH TYR 28 HH TYR 28 8.858 4.174 4.844 198 H CYS 29 H CYS 29 3.192 0.317 1.012 199 HA CYS 29 HA CYS 29 2.604 -1.347 -1.243 200 HB2 CYS 29 2HB CYS 29 1.108 -0.873 1.334 201 HB3 CYS 29 1HB CYS 29 0.612 -2.023 0.099 202 H GLY 30 H GLY 30 0.321 -1.464 -1.955 203 HA2 GLY 30 2HA GLY 30 -0.611 0.570 -3.437 204 HA3 GLY 30 1HA GLY 30 -1.631 -0.687 -2.753 205 H TYR 31 H TYR 31 -2.475 1.818 -3.319 206 HA TYR 31 HA TYR 31 -2.246 3.740 -1.325 207 HB2 TYR 31 2HB TYR 31 -4.473 3.418 -3.331 208 HB3 TYR 31 1HB TYR 31 -3.958 4.909 -2.547 209 HD1 TYR 31 1HD TYR 31 -3.525 2.777 -5.377 210 HD2 TYR 31 2HD TYR 31 -1.549 5.721 -3.028 211 HE1 TYR 31 1HE TYR 31 -1.931 3.143 -7.200 212 HE2 TYR 31 2HE TYR 31 0.049 6.107 -4.850 213 HH TYR 31 HH TYR 31 -0.406 4.926 -7.992 214 HA PRO 32 HA PRO 32 -5.088 1.731 1.496 215 HB2 PRO 32 2HB PRO 32 -4.394 3.109 3.669 216 HB3 PRO 32 1HB PRO 32 -3.370 1.829 3.012 217 HG2 PRO 32 2HG PRO 32 -3.108 4.785 2.764 218 HG3 PRO 32 1HG PRO 32 -1.865 3.542 3.002 219 HD2 PRO 32 2HD PRO 32 -2.445 4.693 0.576 220 HD3 PRO 32 1HD PRO 32 -1.694 3.097 0.792 221 H TYR 33 H TYR 33 -6.587 2.555 3.163 222 HA TYR 33 HA TYR 33 -8.553 4.179 2.010 223 HB2 TYR 33 2HB TYR 33 -8.986 2.375 3.630 224 HB3 TYR 33 1HB TYR 33 -8.197 3.304 4.888 225 HD1 TYR 33 1HD TYR 33 -9.398 4.975 6.096 226 HD2 TYR 33 2HD TYR 33 -11.185 3.129 2.711 227 HE1 TYR 33 1HE TYR 33 -11.563 5.943 6.714 228 HE2 TYR 33 2HE TYR 33 -13.343 4.091 3.313 229 HH TYR 33 HH TYR 33 -14.454 4.915 5.381 230 H ASP 34 H ASP 34 -5.952 4.923 4.202 231 HA ASP 34 HA ASP 34 -7.047 7.438 4.990 232 HB2 ASP 34 2HB ASP 34 -5.026 7.853 6.259 233 HB3 ASP 34 1HB ASP 34 -5.630 6.238 6.571 234 H VAL 35 H VAL 35 -5.664 6.690 2.056 235 HA VAL 35 HA VAL 35 -4.607 9.371 1.922 236 HB VAL 35 HB VAL 35 -3.712 8.860 -0.296 237 HG11 VAL 35 1HG1 VAL 35 -2.278 8.443 1.564 238 HG12 VAL 35 2HG1 VAL 35 -1.993 7.211 0.335 239 HG13 VAL 35 3HG1 VAL 35 -2.943 6.824 1.769 240 HG21 VAL 35 1HG2 VAL 35 -3.712 6.585 -1.222 241 HG22 VAL 35 2HG2 VAL 35 -5.346 7.244 -1.100 242 HG23 VAL 35 3HG2 VAL 35 -4.781 6.062 0.081 243 HA PRO 36 HA PRO 36 -8.594 10.581 0.473 244 HB2 PRO 36 2HB PRO 36 -8.084 13.209 0.159 245 HB3 PRO 36 1HB PRO 36 -8.254 12.460 1.752 246 HG2 PRO 36 2HG PRO 36 -5.756 13.125 0.242 247 HG3 PRO 36 1HG PRO 36 -6.148 13.434 1.944 248 HD2 PRO 36 2HD PRO 36 -4.623 11.342 1.192 249 HD3 PRO 36 1HD PRO 36 -5.738 11.249 2.566 250 H ASP 37 H ASP 37 -5.730 10.679 -1.389 251 HA ASP 37 HA ASP 37 -6.993 11.969 -3.659 252 HB2 ASP 37 2HB ASP 37 -4.881 11.848 -4.773 253 HB3 ASP 37 1HB ASP 37 -4.584 12.364 -3.119 254 H TYR 38 H TYR 38 -6.831 8.838 -2.461 255 HA TYR 38 HA TYR 38 -7.489 7.797 -5.114 256 HB2 TYR 38 2HB TYR 38 -5.273 6.983 -4.225 257 HB3 TYR 38 1HB TYR 38 -6.138 6.279 -2.870 258 HD1 TYR 38 1HD TYR 38 -5.317 5.954 -6.401 259 HD2 TYR 38 2HD TYR 38 -7.561 4.314 -3.206 260 HE1 TYR 38 1HE TYR 38 -5.619 3.889 -7.687 261 HE2 TYR 38 2HE TYR 38 -7.873 2.242 -4.465 262 HH TYR 38 HH TYR 38 -7.871 1.539 -6.861 263 H ALA 39 H ALA 39 -9.351 6.716 -5.212 264 HA ALA 39 HA ALA 39 -10.721 5.969 -2.748 265 HB1 ALA 39 1HB ALA 39 -11.539 8.211 -3.309 266 HB2 ALA 39 2HB ALA 39 -12.807 7.001 -3.513 267 HB3 ALA 39 3HB ALA 39 -11.972 7.652 -4.924 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -6.532 3.651 -8.721 2 HA2 GLY 1 2HA GLY 1 -8.661 2.297 -7.385 3 HA3 GLY 1 1HA GLY 1 -7.772 1.679 -8.772 4 H GLY 2 H GLY 2 -5.213 2.017 -7.321 5 HA2 GLY 2 2HA GLY 2 -5.259 -0.498 -5.892 6 HA3 GLY 2 1HA GLY 2 -3.829 0.466 -6.271 7 H VAL 3 H VAL 3 -6.811 0.875 -4.483 8 HA VAL 3 HA VAL 3 -5.310 2.202 -2.358 9 HB VAL 3 HB VAL 3 -7.067 3.546 -3.485 10 HG11 VAL 3 1HG1 VAL 3 -8.982 1.497 -2.424 11 HG12 VAL 3 2HG1 VAL 3 -8.617 1.844 -4.114 12 HG13 VAL 3 3HG1 VAL 3 -9.436 3.051 -3.121 13 HG21 VAL 3 1HG2 VAL 3 -8.232 4.336 -1.502 14 HG22 VAL 3 2HG2 VAL 3 -6.513 4.074 -1.184 15 HG23 VAL 3 3HG2 VAL 3 -7.709 2.907 -0.611 16 H CYS 4 H CYS 4 -5.747 1.620 -0.223 17 HA CYS 4 HA CYS 4 -6.912 -1.052 0.089 18 HB2 CYS 4 2HB CYS 4 -4.426 0.105 1.324 19 HB3 CYS 4 1HB CYS 4 -5.126 -1.456 1.733 20 HA PRO 5 HA PRO 5 -8.901 0.788 3.698 21 HB2 PRO 5 2HB PRO 5 -9.619 -1.461 5.013 22 HB3 PRO 5 1HB PRO 5 -10.440 -0.955 3.534 23 HG2 PRO 5 2HG PRO 5 -8.328 -3.037 3.911 24 HG3 PRO 5 1HG PRO 5 -9.774 -3.087 2.888 25 HD2 PRO 5 2HD PRO 5 -7.251 -2.536 1.972 26 HD3 PRO 5 1HD PRO 5 -8.736 -1.975 1.176 27 H LYS 6 H LYS 6 -6.173 -1.115 3.626 28 HA LYS 6 HA LYS 6 -5.580 -1.115 6.459 29 HB2 LYS 6 2HB LYS 6 -4.002 -2.109 4.077 30 HB3 LYS 6 1HB LYS 6 -3.498 -2.293 5.748 31 HG2 LYS 6 2HG LYS 6 -5.558 -3.640 6.166 32 HG3 LYS 6 1HG LYS 6 -5.933 -3.506 4.453 33 HD2 LYS 6 2HD LYS 6 -3.938 -4.704 3.858 34 HD3 LYS 6 1HD LYS 6 -3.379 -4.687 5.528 35 HE2 LYS 6 2HE LYS 6 -4.294 -6.876 4.951 36 HE3 LYS 6 1HE LYS 6 -5.268 -6.092 6.187 37 HZ1 LYS 6 1HZ LYS 6 -6.901 -5.515 4.503 38 HZ2 LYS 6 2HZ LYS 6 -6.626 -7.161 4.491 39 HZ3 LYS 6 3HZ LYS 6 -5.956 -6.199 3.288 40 H ILE 7 H ILE 7 -3.065 -0.517 6.832 41 HA ILE 7 HA ILE 7 -2.896 2.258 5.968 42 HB ILE 7 HB ILE 7 -1.218 2.530 7.769 43 HG12 ILE 7 2HG1 ILE 7 -1.963 -0.306 8.524 44 HG13 ILE 7 1HG1 ILE 7 -0.429 0.179 7.810 45 HG21 ILE 7 1HG2 ILE 7 -3.543 3.069 8.195 46 HG22 ILE 7 2HG2 ILE 7 -2.803 2.384 9.642 47 HG23 ILE 7 3HG2 ILE 7 -3.869 1.394 8.646 48 HD11 ILE 7 1HD1 ILE 7 0.062 1.511 9.774 49 HD12 ILE 7 2HD1 ILE 7 -0.259 -0.170 10.206 50 HD13 ILE 7 3HD1 ILE 7 -1.491 1.065 10.477 51 H LEU 8 H LEU 8 -0.504 3.026 5.880 52 HA LEU 8 HA LEU 8 0.583 1.866 3.584 53 HB2 LEU 8 2HB LEU 8 2.408 3.453 3.728 54 HB3 LEU 8 1HB LEU 8 0.899 4.252 4.059 55 HG LEU 8 HG LEU 8 2.930 3.472 6.171 56 HD11 LEU 8 1HD1 LEU 8 2.399 6.147 4.900 57 HD12 LEU 8 2HD1 LEU 8 3.839 5.151 4.681 58 HD13 LEU 8 3HD1 LEU 8 3.480 5.848 6.258 59 HD21 LEU 8 1HD2 LEU 8 0.496 5.253 6.330 60 HD22 LEU 8 2HD2 LEU 8 1.678 5.015 7.615 61 HD23 LEU 8 3HD2 LEU 8 0.676 3.668 7.086 62 H GLN 9 H GLN 9 1.314 -0.078 3.582 63 HA GLN 9 HA GLN 9 3.255 -0.957 5.593 64 HB2 GLN 9 2HB GLN 9 1.336 -2.485 4.952 65 HB3 GLN 9 1HB GLN 9 1.981 -2.519 3.318 66 HG2 GLN 9 2HG GLN 9 4.119 -3.425 4.295 67 HG3 GLN 9 1HG GLN 9 3.258 -3.600 5.817 68 HE21 GLN 9 1HE2 GLN 9 3.674 -4.776 2.619 69 HE22 GLN 9 2HE2 GLN 9 2.790 -6.247 2.799 70 H ARG 10 H ARG 10 5.320 -1.615 4.860 71 HA ARG 10 HA ARG 10 6.240 -0.363 2.423 72 HB2 ARG 10 2HB ARG 10 7.625 -2.103 4.465 73 HB3 ARG 10 1HB ARG 10 8.415 -1.517 3.034 74 HG2 ARG 10 2HG ARG 10 9.078 -0.184 4.951 75 HG3 ARG 10 1HG ARG 10 8.156 0.799 3.827 76 HD2 ARG 10 2HD ARG 10 7.620 1.171 6.232 77 HD3 ARG 10 1HD ARG 10 6.233 0.733 5.237 78 HE ARG 10 HE ARG 10 7.268 -1.600 6.339 79 HH11 ARG 10 1HH1 ARG 10 5.921 1.413 7.658 80 HH12 ARG 10 2HH1 ARG 10 5.019 0.641 8.866 81 HH21 ARG 10 1HH2 ARG 10 5.988 -2.667 7.997 82 HH22 ARG 10 2HH2 ARG 10 5.027 -1.721 9.052 83 H CYS 11 H CYS 11 7.178 -1.642 0.686 84 HA CYS 11 HA CYS 11 6.293 -4.421 0.787 85 HB2 CYS 11 2HB CYS 11 5.939 -4.329 -1.678 86 HB3 CYS 11 1HB CYS 11 4.831 -3.321 -0.762 87 H ARG 12 H ARG 12 7.736 -5.837 0.532 88 HA ARG 12 HA ARG 12 10.392 -5.139 -0.452 89 HB2 ARG 12 2HB ARG 12 10.976 -7.450 0.336 90 HB3 ARG 12 1HB ARG 12 10.342 -6.411 1.604 91 HG2 ARG 12 2HG ARG 12 8.110 -7.483 1.252 92 HG3 ARG 12 1HG ARG 12 8.897 -8.602 0.146 93 HD2 ARG 12 2HD ARG 12 9.662 -8.208 3.022 94 HD3 ARG 12 1HD ARG 12 8.590 -9.475 2.425 95 HE ARG 12 HE ARG 12 11.185 -9.369 1.176 96 HH11 ARG 12 1HH1 ARG 12 9.216 -10.774 3.752 97 HH12 ARG 12 2HH1 ARG 12 10.203 -12.134 3.963 98 HH21 ARG 12 1HH2 ARG 12 12.553 -11.236 1.454 99 HH22 ARG 12 2HH2 ARG 12 12.169 -12.398 2.624 100 H ARG 13 H ARG 13 7.540 -6.849 -1.261 101 HA ARG 13 HA ARG 13 8.259 -6.890 -4.002 102 HB2 ARG 13 2HB ARG 13 7.599 -9.203 -4.397 103 HB3 ARG 13 1HB ARG 13 9.016 -9.156 -3.383 104 HG2 ARG 13 2HG ARG 13 7.634 -9.686 -1.440 105 HG3 ARG 13 1HG ARG 13 6.180 -9.639 -2.448 106 HD2 ARG 13 2HD ARG 13 7.174 -11.453 -3.838 107 HD3 ARG 13 1HD ARG 13 8.496 -11.558 -2.681 108 HE ARG 13 HE ARG 13 6.427 -11.918 -1.086 109 HH11 ARG 13 1HH1 ARG 13 7.079 -13.350 -4.264 110 HH12 ARG 13 2HH1 ARG 13 6.270 -14.807 -3.945 111 HH21 ARG 13 1HH2 ARG 13 5.296 -13.927 -0.657 112 HH22 ARG 13 2HH2 ARG 13 5.252 -15.172 -1.808 113 H ASP 14 H ASP 14 6.205 -7.807 -5.121 114 HA ASP 14 HA ASP 14 4.121 -5.980 -4.282 115 HB2 ASP 14 2HB ASP 14 4.612 -6.303 -6.645 116 HB3 ASP 14 1HB ASP 14 4.118 -7.989 -6.519 117 H SER 15 H SER 15 4.343 -9.476 -4.456 118 HA SER 15 HA SER 15 1.677 -9.932 -3.676 119 HB2 SER 15 2HB SER 15 3.203 -11.547 -4.890 120 HB3 SER 15 1HB SER 15 3.994 -11.852 -3.347 121 HG SER 15 HG SER 15 1.219 -12.057 -3.468 122 H ASP 16 H ASP 16 4.286 -8.827 -1.915 123 HA ASP 16 HA ASP 16 3.717 -10.051 0.628 124 HB2 ASP 16 2HB ASP 16 5.984 -9.209 -0.088 125 HB3 ASP 16 1HB ASP 16 5.351 -7.579 0.057 126 H CYS 17 H CYS 17 2.436 -7.494 -1.199 127 HA CYS 17 HA CYS 17 1.431 -6.065 1.085 128 HB2 CYS 17 2HB CYS 17 0.907 -5.736 -1.871 129 HB3 CYS 17 1HB CYS 17 0.337 -4.649 -0.611 130 HA PRO 18 HA PRO 18 -1.888 -9.006 1.280 131 HB2 PRO 18 2HB PRO 18 -3.139 -7.951 3.448 132 HB3 PRO 18 1HB PRO 18 -1.656 -8.907 3.553 133 HG2 PRO 18 2HG PRO 18 -2.036 -5.952 3.655 134 HG3 PRO 18 1HG PRO 18 -0.935 -6.974 4.591 135 HD2 PRO 18 2HD PRO 18 -0.170 -5.491 2.431 136 HD3 PRO 18 1HD PRO 18 0.649 -6.977 2.947 137 H GLY 19 H GLY 19 -3.892 -9.179 0.509 138 HA2 GLY 19 2HA GLY 19 -5.980 -8.653 -0.256 139 HA3 GLY 19 1HA GLY 19 -5.829 -7.071 0.500 140 H ALA 20 H ALA 20 -6.582 -5.871 -1.218 141 HA ALA 20 HA ALA 20 -5.532 -6.280 -3.878 142 HB1 ALA 20 1HB ALA 20 -7.354 -4.096 -2.849 143 HB2 ALA 20 2HB ALA 20 -7.891 -5.630 -3.530 144 HB3 ALA 20 3HB ALA 20 -7.026 -4.470 -4.538 145 H CYS 21 H CYS 21 -3.757 -5.526 -1.753 146 HA CYS 21 HA CYS 21 -2.938 -2.814 -2.414 147 HB2 CYS 21 2HB CYS 21 -1.839 -4.774 -0.393 148 HB3 CYS 21 1HB CYS 21 -1.234 -3.138 -0.647 149 H ILE 22 H ILE 22 -1.489 -2.448 -3.890 150 HA ILE 22 HA ILE 22 0.288 -4.633 -4.716 151 HB ILE 22 HB ILE 22 0.425 -3.403 -6.885 152 HG12 ILE 22 2HG1 ILE 22 -1.893 -1.796 -5.763 153 HG13 ILE 22 1HG1 ILE 22 -0.281 -1.177 -6.094 154 HG21 ILE 22 1HG2 ILE 22 -1.751 -4.165 -7.741 155 HG22 ILE 22 2HG2 ILE 22 -2.323 -4.341 -6.082 156 HG23 ILE 22 3HG2 ILE 22 -1.003 -5.351 -6.670 157 HD11 ILE 22 1HD1 ILE 22 -2.232 -2.221 -8.137 158 HD12 ILE 22 2HD1 ILE 22 -0.621 -1.589 -8.479 159 HD13 ILE 22 3HD1 ILE 22 -1.863 -0.526 -7.817 160 H CYS 23 H CYS 23 2.398 -4.094 -5.183 161 HA CYS 23 HA CYS 23 3.448 -2.134 -3.355 162 HB2 CYS 23 2HB CYS 23 4.597 -4.230 -3.563 163 HB3 CYS 23 1HB CYS 23 4.815 -4.011 -5.299 164 H ARG 24 H ARG 24 4.208 -0.167 -3.773 165 HA ARG 24 HA ARG 24 4.072 0.744 -6.550 166 HB2 ARG 24 2HB ARG 24 3.711 2.278 -3.976 167 HB3 ARG 24 1HB ARG 24 3.723 2.998 -5.579 168 HG2 ARG 24 2HG ARG 24 1.718 0.957 -4.627 169 HG3 ARG 24 1HG ARG 24 1.457 2.697 -4.624 170 HD2 ARG 24 2HD ARG 24 0.383 1.831 -6.569 171 HD3 ARG 24 1HD ARG 24 1.833 2.663 -7.112 172 HE ARG 24 HE ARG 24 2.375 -0.094 -6.759 173 HH11 ARG 24 1HH1 ARG 24 0.719 2.094 -8.998 174 HH12 ARG 24 2HH1 ARG 24 0.780 1.014 -10.313 175 HH21 ARG 24 1HH2 ARG 24 2.440 -1.582 -8.550 176 HH22 ARG 24 2HH2 ARG 24 1.777 -1.140 -10.047 177 H GLY 25 H GLY 25 5.518 2.704 -6.924 178 HA2 GLY 25 2HA GLY 25 8.158 1.721 -6.844 179 HA3 GLY 25 1HA GLY 25 7.660 3.281 -7.458 180 H ASN 26 H ASN 26 6.538 3.851 -4.655 181 HA ASN 26 HA ASN 26 8.956 4.994 -3.667 182 HB2 ASN 26 2HB ASN 26 7.645 5.957 -1.850 183 HB3 ASN 26 1HB ASN 26 6.811 6.193 -3.371 184 HD21 ASN 26 1HD2 ASN 26 5.839 6.235 -0.647 185 HD22 ASN 26 2HD2 ASN 26 4.558 5.095 -0.549 186 H GLY 27 H GLY 27 7.544 1.981 -3.308 187 HA2 GLY 27 2HA GLY 27 8.753 0.215 -2.281 188 HA3 GLY 27 1HA GLY 27 9.461 1.380 -1.170 189 H TYR 28 H TYR 28 6.217 1.899 -1.678 190 HA TYR 28 HA TYR 28 5.502 0.422 0.726 191 HB2 TYR 28 2HB TYR 28 4.658 3.150 -0.206 192 HB3 TYR 28 1HB TYR 28 3.694 2.225 0.937 193 HD1 TYR 28 1HD TYR 28 7.024 3.808 0.432 194 HD2 TYR 28 2HD TYR 28 4.262 2.140 3.187 195 HE1 TYR 28 1HE TYR 28 8.388 4.636 2.281 196 HE2 TYR 28 2HE TYR 28 5.595 2.960 5.044 197 HH TYR 28 HH TYR 28 8.053 5.222 4.718 198 H CYS 29 H CYS 29 3.183 -0.016 0.802 199 HA CYS 29 HA CYS 29 2.457 -1.274 -1.682 200 HB2 CYS 29 2HB CYS 29 1.169 -1.325 1.048 201 HB3 CYS 29 1HB CYS 29 0.627 -2.266 -0.335 202 H GLY 30 H GLY 30 -0.063 -1.301 -1.898 203 HA2 GLY 30 2HA GLY 30 -1.086 0.858 -3.112 204 HA3 GLY 30 1HA GLY 30 -2.105 -0.285 -2.256 205 H TYR 31 H TYR 31 -2.630 2.385 -2.646 206 HA TYR 31 HA TYR 31 -1.697 4.101 -0.685 207 HB2 TYR 31 2HB TYR 31 -4.187 4.319 -2.387 208 HB3 TYR 31 1HB TYR 31 -3.415 5.651 -1.521 209 HD1 TYR 31 1HD TYR 31 -3.314 3.571 -4.466 210 HD2 TYR 31 2HD TYR 31 -1.108 6.354 -2.150 211 HE1 TYR 31 1HE TYR 31 -1.763 3.858 -6.324 212 HE2 TYR 31 2HE TYR 31 0.464 6.671 -4.011 213 HH TYR 31 HH TYR 31 1.232 5.464 -5.986 214 HA PRO 32 HA PRO 32 -3.782 2.424 2.786 215 HB2 PRO 32 2HB PRO 32 -3.189 4.456 4.508 216 HB3 PRO 32 1HB PRO 32 -2.070 3.165 4.061 217 HG2 PRO 32 2HG PRO 32 -2.292 5.936 2.969 218 HG3 PRO 32 1HG PRO 32 -0.840 5.031 3.420 219 HD2 PRO 32 2HD PRO 32 -1.580 5.277 0.890 220 HD3 PRO 32 1HD PRO 32 -0.886 3.750 1.487 221 H TYR 33 H TYR 33 -5.212 3.054 4.475 222 HA TYR 33 HA TYR 33 -7.720 3.845 3.688 223 HB2 TYR 33 2HB TYR 33 -7.072 2.482 5.674 224 HB3 TYR 33 1HB TYR 33 -6.609 3.962 6.488 225 HD1 TYR 33 1HD TYR 33 -8.291 5.386 7.508 226 HD2 TYR 33 2HD TYR 33 -9.448 2.032 5.163 227 HE1 TYR 33 1HE TYR 33 -10.590 5.590 8.347 228 HE2 TYR 33 2HE TYR 33 -11.731 2.230 5.982 229 HH TYR 33 HH TYR 33 -12.848 3.157 8.019 230 H ASP 34 H ASP 34 -5.124 5.918 4.750 231 HA ASP 34 HA ASP 34 -6.894 8.079 5.420 232 HB2 ASP 34 2HB ASP 34 -4.933 9.466 5.814 233 HB3 ASP 34 1HB ASP 34 -4.737 7.906 6.589 234 H VAL 35 H VAL 35 -5.364 7.000 2.525 235 HA VAL 35 HA VAL 35 -6.504 9.324 1.182 236 HB VAL 35 HB VAL 35 -4.875 8.739 -0.743 237 HG11 VAL 35 1HG1 VAL 35 -4.570 10.728 0.674 238 HG12 VAL 35 2HG1 VAL 35 -3.017 10.002 0.264 239 HG13 VAL 35 3HG1 VAL 35 -3.718 9.740 1.860 240 HG21 VAL 35 1HG2 VAL 35 -4.208 6.537 0.118 241 HG22 VAL 35 2HG2 VAL 35 -3.431 7.320 1.495 242 HG23 VAL 35 3HG2 VAL 35 -2.813 7.590 -0.136 243 HA PRO 36 HA PRO 36 -8.664 5.404 0.093 244 HB2 PRO 36 2HB PRO 36 -11.213 6.611 0.570 245 HB3 PRO 36 1HB PRO 36 -10.399 5.382 1.535 246 HG2 PRO 36 2HG PRO 36 -10.881 7.985 2.336 247 HG3 PRO 36 1HG PRO 36 -9.666 6.912 3.040 248 HD2 PRO 36 2HD PRO 36 -9.331 9.111 1.057 249 HD3 PRO 36 1HD PRO 36 -8.249 8.596 2.370 250 H ASP 37 H ASP 37 -9.160 8.619 -0.981 251 HA ASP 37 HA ASP 37 -10.897 7.912 -3.202 252 HB2 ASP 37 2HB ASP 37 -11.032 10.314 -3.580 253 HB3 ASP 37 1HB ASP 37 -11.354 9.943 -1.889 254 H TYR 38 H TYR 38 -7.671 7.663 -2.747 255 HA TYR 38 HA TYR 38 -7.075 8.768 -5.386 256 HB2 TYR 38 2HB TYR 38 -5.817 9.819 -3.522 257 HB3 TYR 38 1HB TYR 38 -5.116 8.250 -3.143 258 HD1 TYR 38 1HD TYR 38 -3.237 7.428 -4.364 259 HD2 TYR 38 2HD TYR 38 -5.286 10.895 -5.725 260 HE1 TYR 38 1HE TYR 38 -1.453 7.838 -5.991 261 HE2 TYR 38 2HE TYR 38 -3.506 11.316 -7.358 262 HH TYR 38 HH TYR 38 -1.172 8.999 -8.131 263 H ALA 39 H ALA 39 -6.932 7.366 -6.925 264 HA ALA 39 HA ALA 39 -6.294 5.743 -8.215 265 HB1 ALA 39 1HB ALA 39 -4.346 4.442 -7.763 266 HB2 ALA 39 2HB ALA 39 -4.405 4.871 -6.053 267 HB3 ALA 39 3HB ALA 39 -4.069 6.110 -7.261 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -6.335 4.272 4.946 2 HA2 GLY 1 2HA GLY 1 -5.424 1.930 3.421 3 HA3 GLY 1 1HA GLY 1 -6.392 1.708 4.879 4 H GLY 2 H GLY 2 -6.422 2.435 1.570 5 HA2 GLY 2 2HA GLY 2 -9.062 3.664 1.630 6 HA3 GLY 2 1HA GLY 2 -8.061 3.464 0.205 7 H VAL 3 H VAL 3 -7.765 1.156 -0.472 8 HA VAL 3 HA VAL 3 -10.427 -0.009 -0.579 9 HB VAL 3 HB VAL 3 -7.958 -0.802 -2.172 10 HG11 VAL 3 1HG1 VAL 3 -9.533 -1.904 -3.696 11 HG12 VAL 3 2HG1 VAL 3 -10.869 -1.456 -2.638 12 HG13 VAL 3 3HG1 VAL 3 -9.633 -2.575 -2.067 13 HG21 VAL 3 1HG2 VAL 3 -8.930 0.450 -4.041 14 HG22 VAL 3 2HG2 VAL 3 -8.589 1.507 -2.667 15 HG23 VAL 3 3HG2 VAL 3 -10.240 0.988 -2.996 16 H CYS 4 H CYS 4 -7.346 -0.498 0.592 17 HA CYS 4 HA CYS 4 -7.968 -3.161 1.596 18 HB2 CYS 4 2HB CYS 4 -5.530 -1.442 2.071 19 HB3 CYS 4 1HB CYS 4 -5.686 -3.152 2.435 20 HA PRO 5 HA PRO 5 -9.790 -1.018 5.137 21 HB2 PRO 5 2HB PRO 5 -9.614 -3.663 6.454 22 HB3 PRO 5 1HB PRO 5 -11.026 -2.640 6.176 23 HG2 PRO 5 2HG PRO 5 -10.672 -4.856 4.756 24 HG3 PRO 5 1HG PRO 5 -11.303 -3.386 3.996 25 HD2 PRO 5 2HD PRO 5 -8.524 -4.518 3.894 26 HD3 PRO 5 1HD PRO 5 -9.520 -3.818 2.595 27 H LYS 6 H LYS 6 -6.847 -2.769 5.233 28 HA LYS 6 HA LYS 6 -6.282 -1.905 7.944 29 HB2 LYS 6 2HB LYS 6 -4.691 -3.618 6.054 30 HB3 LYS 6 1HB LYS 6 -4.157 -3.222 7.679 31 HG2 LYS 6 2HG LYS 6 -6.735 -4.669 7.101 32 HG3 LYS 6 1HG LYS 6 -5.208 -5.516 7.277 33 HD2 LYS 6 2HD LYS 6 -6.440 -5.638 9.357 34 HD3 LYS 6 1HD LYS 6 -5.032 -4.619 9.596 35 HE2 LYS 6 2HE LYS 6 -6.368 -2.652 9.634 36 HE3 LYS 6 1HE LYS 6 -7.807 -3.522 9.062 37 HZ1 LYS 6 1HZ LYS 6 -7.864 -3.027 11.414 38 HZ2 LYS 6 2HZ LYS 6 -6.417 -3.874 11.664 39 HZ3 LYS 6 3HZ LYS 6 -7.804 -4.698 11.163 40 H ILE 7 H ILE 7 -3.816 -1.222 8.167 41 HA ILE 7 HA ILE 7 -3.752 1.330 6.784 42 HB ILE 7 HB ILE 7 -2.054 0.260 9.065 43 HG12 ILE 7 2HG1 ILE 7 -4.420 2.133 9.133 44 HG13 ILE 7 1HG1 ILE 7 -4.475 0.433 9.585 45 HG21 ILE 7 1HG2 ILE 7 -0.941 2.085 7.855 46 HG22 ILE 7 2HG2 ILE 7 -1.444 2.606 9.462 47 HG23 ILE 7 3HG2 ILE 7 -2.375 3.094 8.047 48 HD11 ILE 7 1HD1 ILE 7 -2.897 0.891 11.395 49 HD12 ILE 7 2HD1 ILE 7 -4.369 1.852 11.532 50 HD13 ILE 7 3HD1 ILE 7 -2.881 2.593 10.936 51 H LEU 8 H LEU 8 -2.049 2.015 5.545 52 HA LEU 8 HA LEU 8 -0.729 0.222 3.954 53 HB2 LEU 8 2HB LEU 8 0.675 2.177 3.215 54 HB3 LEU 8 1HB LEU 8 -1.054 2.354 3.065 55 HG LEU 8 HG LEU 8 -0.971 3.727 5.213 56 HD11 LEU 8 1HD1 LEU 8 1.134 4.797 5.791 57 HD12 LEU 8 2HD1 LEU 8 1.980 3.768 4.635 58 HD13 LEU 8 3HD1 LEU 8 1.198 3.052 6.043 59 HD21 LEU 8 1HD2 LEU 8 0.463 4.751 2.777 60 HD22 LEU 8 2HD2 LEU 8 -0.242 5.751 4.048 61 HD23 LEU 8 3HD2 LEU 8 -1.279 4.737 3.045 62 H GLN 9 H GLN 9 1.385 -0.316 3.620 63 HA GLN 9 HA GLN 9 3.254 -0.148 5.849 64 HB2 GLN 9 2HB GLN 9 3.746 -2.549 5.664 65 HB3 GLN 9 1HB GLN 9 2.063 -2.313 6.119 66 HG2 GLN 9 2HG GLN 9 1.295 -2.863 3.983 67 HG3 GLN 9 1HG GLN 9 2.899 -2.725 3.273 68 HE21 GLN 9 1HE2 GLN 9 4.328 -4.377 3.524 69 HE22 GLN 9 2HE2 GLN 9 3.879 -5.961 4.021 70 H ARG 10 H ARG 10 5.359 -1.102 5.009 71 HA ARG 10 HA ARG 10 5.773 -0.158 2.323 72 HB2 ARG 10 2HB ARG 10 7.657 -0.944 4.528 73 HB3 ARG 10 1HB ARG 10 8.214 -0.643 2.882 74 HG2 ARG 10 2HG ARG 10 7.209 1.610 3.009 75 HG3 ARG 10 1HG ARG 10 6.811 1.296 4.696 76 HD2 ARG 10 2HD ARG 10 9.099 1.133 5.284 77 HD3 ARG 10 1HD ARG 10 9.600 1.134 3.590 78 HE ARG 10 HE ARG 10 8.118 3.446 4.477 79 HH11 ARG 10 1HH1 ARG 10 11.357 2.100 4.172 80 HH12 ARG 10 2HH1 ARG 10 12.110 3.583 3.783 81 HH21 ARG 10 1HH2 ARG 10 9.122 5.483 3.961 82 HH22 ARG 10 2HH2 ARG 10 10.797 5.548 3.617 83 H CYS 11 H CYS 11 7.344 -1.548 0.980 84 HA CYS 11 HA CYS 11 6.737 -4.401 1.257 85 HB2 CYS 11 2HB CYS 11 5.937 -4.452 -1.086 86 HB3 CYS 11 1HB CYS 11 4.870 -3.589 0.019 87 H ARG 12 H ARG 12 8.137 -5.732 0.146 88 HA ARG 12 HA ARG 12 10.254 -4.369 -1.369 89 HB2 ARG 12 2HB ARG 12 10.326 -7.173 -0.194 90 HB3 ARG 12 1HB ARG 12 11.619 -6.448 -1.138 91 HG2 ARG 12 2HG ARG 12 12.412 -6.043 0.963 92 HG3 ARG 12 1HG ARG 12 11.457 -4.582 0.720 93 HD2 ARG 12 2HD ARG 12 10.853 -5.303 2.861 94 HD3 ARG 12 1HD ARG 12 9.542 -5.892 1.834 95 HE ARG 12 HE ARG 12 11.713 -7.729 2.231 96 HH11 ARG 12 1HH1 ARG 12 8.425 -6.898 3.188 97 HH12 ARG 12 2HH1 ARG 12 8.266 -8.172 4.292 98 HH21 ARG 12 1HH2 ARG 12 11.472 -9.531 3.703 99 HH22 ARG 12 2HH2 ARG 12 10.029 -9.716 4.593 100 H ARG 13 H ARG 13 7.541 -6.323 -1.696 101 HA ARG 13 HA ARG 13 7.822 -6.438 -4.540 102 HB2 ARG 13 2HB ARG 13 7.259 -8.872 -4.663 103 HB3 ARG 13 1HB ARG 13 8.873 -8.566 -4.074 104 HG2 ARG 13 2HG ARG 13 8.086 -8.953 -1.776 105 HG3 ARG 13 1HG ARG 13 6.465 -9.273 -2.391 106 HD2 ARG 13 2HD ARG 13 8.953 -10.870 -3.042 107 HD3 ARG 13 1HD ARG 13 7.691 -11.351 -1.909 108 HE ARG 13 HE ARG 13 6.826 -10.804 -4.616 109 HH11 ARG 13 1HH1 ARG 13 7.786 -13.330 -2.296 110 HH12 ARG 13 2HH1 ARG 13 7.090 -14.590 -3.175 111 HH21 ARG 13 1HH2 ARG 13 5.832 -12.554 -5.809 112 HH22 ARG 13 2HH2 ARG 13 5.938 -14.140 -5.217 113 H ASP 14 H ASP 14 5.675 -7.660 -5.325 114 HA ASP 14 HA ASP 14 3.593 -6.021 -4.163 115 HB2 ASP 14 2HB ASP 14 3.508 -7.953 -6.469 116 HB3 ASP 14 1HB ASP 14 2.062 -7.155 -5.863 117 H SER 15 H SER 15 4.289 -9.408 -4.213 118 HA SER 15 HA SER 15 1.959 -10.309 -2.941 119 HB2 SER 15 2HB SER 15 3.486 -11.788 -4.186 120 HB3 SER 15 1HB SER 15 4.743 -11.517 -2.990 121 HG SER 15 HG SER 15 2.216 -12.689 -2.454 122 H ASP 16 H ASP 16 4.424 -8.401 -1.748 123 HA ASP 16 HA ASP 16 4.638 -9.240 0.994 124 HB2 ASP 16 2HB ASP 16 6.158 -7.719 -0.477 125 HB3 ASP 16 1HB ASP 16 5.022 -6.455 -0.062 126 H CYS 17 H CYS 17 2.453 -7.370 -0.939 127 HA CYS 17 HA CYS 17 1.109 -6.186 1.385 128 HB2 CYS 17 2HB CYS 17 0.573 -5.595 -1.513 129 HB3 CYS 17 1HB CYS 17 0.291 -4.581 -0.105 130 HA PRO 18 HA PRO 18 -1.770 -9.497 0.170 131 HB2 PRO 18 2HB PRO 18 -2.980 -9.798 2.572 132 HB3 PRO 18 1HB PRO 18 -1.433 -10.548 2.174 133 HG2 PRO 18 2HG PRO 18 -2.005 -8.238 3.919 134 HG3 PRO 18 1HG PRO 18 -0.653 -9.383 3.929 135 HD2 PRO 18 2HD PRO 18 -0.652 -6.739 2.880 136 HD3 PRO 18 1HD PRO 18 0.634 -7.951 2.736 137 H GLY 19 H GLY 19 -3.615 -9.171 -0.767 138 HA2 GLY 19 2HA GLY 19 -5.965 -8.583 -0.602 139 HA3 GLY 19 1HA GLY 19 -5.450 -7.169 0.310 140 H ALA 20 H ALA 20 -6.672 -5.911 -1.195 141 HA ALA 20 HA ALA 20 -6.125 -5.751 -3.991 142 HB1 ALA 20 1HB ALA 20 -7.454 -3.710 -3.914 143 HB2 ALA 20 2HB ALA 20 -7.319 -3.669 -2.165 144 HB3 ALA 20 3HB ALA 20 -8.223 -4.970 -2.944 145 H CYS 21 H CYS 21 -4.043 -5.269 -1.800 146 HA CYS 21 HA CYS 21 -3.087 -2.568 -2.288 147 HB2 CYS 21 2HB CYS 21 -1.728 -4.574 -0.578 148 HB3 CYS 21 1HB CYS 21 -1.888 -2.846 -0.341 149 H ILE 22 H ILE 22 -1.529 -2.308 -3.844 150 HA ILE 22 HA ILE 22 0.219 -4.604 -4.373 151 HB ILE 22 HB ILE 22 0.644 -3.666 -6.639 152 HG12 ILE 22 2HG1 ILE 22 -1.654 -1.800 -5.972 153 HG13 ILE 22 1HG1 ILE 22 0.023 -1.320 -6.206 154 HG21 ILE 22 1HG2 ILE 22 -2.212 -4.357 -6.002 155 HG22 ILE 22 2HG2 ILE 22 -0.910 -5.482 -6.390 156 HG23 ILE 22 3HG2 ILE 22 -1.514 -4.369 -7.620 157 HD11 ILE 22 1HD1 ILE 22 -0.118 -2.076 -8.545 158 HD12 ILE 22 2HD1 ILE 22 -1.278 -0.808 -8.171 159 HD13 ILE 22 3HD1 ILE 22 -1.813 -2.489 -8.289 160 H CYS 23 H CYS 23 2.450 -3.927 -5.180 161 HA CYS 23 HA CYS 23 3.388 -2.047 -3.164 162 HB2 CYS 23 2HB CYS 23 4.393 -4.255 -3.206 163 HB3 CYS 23 1HB CYS 23 4.858 -4.050 -4.886 164 H ARG 24 H ARG 24 4.033 -0.074 -3.649 165 HA ARG 24 HA ARG 24 4.141 0.750 -6.439 166 HB2 ARG 24 2HB ARG 24 4.471 2.386 -3.927 167 HB3 ARG 24 1HB ARG 24 4.266 3.005 -5.552 168 HG2 ARG 24 2HG ARG 24 2.223 1.503 -3.939 169 HG3 ARG 24 1HG ARG 24 2.247 3.234 -4.283 170 HD2 ARG 24 2HD ARG 24 2.136 2.661 -6.706 171 HD3 ARG 24 1HD ARG 24 1.897 0.982 -6.233 172 HE ARG 24 HE ARG 24 0.070 2.654 -4.918 173 HH11 ARG 24 1HH1 ARG 24 0.724 1.146 -8.053 174 HH12 ARG 24 2HH1 ARG 24 -0.873 1.291 -8.617 175 HH21 ARG 24 1HH2 ARG 24 -2.167 2.845 -5.724 176 HH22 ARG 24 2HH2 ARG 24 -2.537 2.260 -7.280 177 H GLY 25 H GLY 25 5.966 2.174 -7.102 178 HA2 GLY 25 2HA GLY 25 8.429 0.841 -6.840 179 HA3 GLY 25 1HA GLY 25 8.179 2.419 -7.567 180 H ASN 26 H ASN 26 7.083 3.498 -5.069 181 HA ASN 26 HA ASN 26 9.504 4.446 -3.914 182 HB2 ASN 26 2HB ASN 26 8.105 5.789 -2.465 183 HB3 ASN 26 1HB ASN 26 7.448 5.831 -4.094 184 HD21 ASN 26 1HD2 ASN 26 6.095 6.438 -1.676 185 HD22 ASN 26 2HD2 ASN 26 4.776 5.338 -1.537 186 H GLY 27 H GLY 27 7.589 1.711 -3.304 187 HA2 GLY 27 2HA GLY 27 8.422 -0.016 -1.952 188 HA3 GLY 27 1HA GLY 27 9.229 1.179 -0.944 189 H TYR 28 H TYR 28 6.018 1.949 -1.759 190 HA TYR 28 HA TYR 28 5.138 0.917 0.833 191 HB2 TYR 28 2HB TYR 28 4.333 3.414 -0.632 192 HB3 TYR 28 1HB TYR 28 3.310 2.710 0.610 193 HD1 TYR 28 1HD TYR 28 6.510 4.390 -0.049 194 HD2 TYR 28 2HD TYR 28 3.892 2.879 2.932 195 HE1 TYR 28 1HE TYR 28 7.762 5.612 1.653 196 HE2 TYR 28 2HE TYR 28 5.129 4.101 4.655 197 HH TYR 28 HH TYR 28 7.192 6.554 3.992 198 H CYS 29 H CYS 29 3.074 0.067 1.011 199 HA CYS 29 HA CYS 29 2.159 -1.194 -1.432 200 HB2 CYS 29 2HB CYS 29 1.292 -1.505 1.431 201 HB3 CYS 29 1HB CYS 29 0.633 -2.416 0.081 202 H GLY 30 H GLY 30 0.376 -0.670 -2.428 203 HA2 GLY 30 2HA GLY 30 -0.951 1.767 -1.771 204 HA3 GLY 30 1HA GLY 30 -1.287 0.719 -3.139 205 H TYR 31 H TYR 31 -1.510 0.565 0.371 206 HA TYR 31 HA TYR 31 -3.933 -0.906 0.413 207 HB2 TYR 31 2HB TYR 31 -2.554 0.805 2.509 208 HB3 TYR 31 1HB TYR 31 -4.153 0.152 2.818 209 HD1 TYR 31 1HD TYR 31 -4.188 -1.760 4.090 210 HD2 TYR 31 2HD TYR 31 -0.863 -1.120 1.548 211 HE1 TYR 31 1HE TYR 31 -3.198 -3.876 4.863 212 HE2 TYR 31 2HE TYR 31 0.137 -3.246 2.327 213 HH TYR 31 HH TYR 31 -0.007 -4.785 4.334 214 HA PRO 32 HA PRO 32 -6.067 3.305 -0.012 215 HB2 PRO 32 2HB PRO 32 -4.698 5.575 -0.194 216 HB3 PRO 32 1HB PRO 32 -5.011 4.831 1.384 217 HG2 PRO 32 2HG PRO 32 -2.521 4.714 -0.287 218 HG3 PRO 32 1HG PRO 32 -2.681 5.065 1.446 219 HD2 PRO 32 2HD PRO 32 -2.046 2.597 0.467 220 HD3 PRO 32 1HD PRO 32 -2.901 2.864 1.993 221 H TYR 33 H TYR 33 -5.814 1.817 -1.852 222 HA TYR 33 HA TYR 33 -4.101 2.129 -3.996 223 HB2 TYR 33 2HB TYR 33 -5.484 0.130 -3.615 224 HB3 TYR 33 1HB TYR 33 -6.913 1.042 -4.080 225 HD1 TYR 33 1HD TYR 33 -7.470 1.354 -6.398 226 HD2 TYR 33 2HD TYR 33 -3.744 -0.377 -5.302 227 HE1 TYR 33 1HE TYR 33 -7.088 0.715 -8.727 228 HE2 TYR 33 2HE TYR 33 -3.353 -1.017 -7.632 229 HH TYR 33 HH TYR 33 -4.674 -1.464 -9.648 230 H ASP 34 H ASP 34 -7.379 3.561 -3.679 231 HA ASP 34 HA ASP 34 -6.987 4.860 -6.215 232 HB2 ASP 34 2HB ASP 34 -9.253 5.673 -6.024 233 HB3 ASP 34 1HB ASP 34 -9.214 3.979 -5.580 234 H VAL 35 H VAL 35 -7.314 5.925 -2.836 235 HA VAL 35 HA VAL 35 -6.133 8.443 -3.702 236 HB VAL 35 HB VAL 35 -7.121 9.430 -1.565 237 HG11 VAL 35 1HG1 VAL 35 -8.055 9.856 -3.787 238 HG12 VAL 35 2HG1 VAL 35 -9.328 9.756 -2.572 239 HG13 VAL 35 3HG1 VAL 35 -9.034 8.396 -3.656 240 HG21 VAL 35 1HG2 VAL 35 -8.796 6.913 -1.660 241 HG22 VAL 35 2HG2 VAL 35 -9.090 8.301 -0.612 242 HG23 VAL 35 3HG2 VAL 35 -7.634 7.327 -0.401 243 HA PRO 36 HA PRO 36 -2.654 6.524 -1.502 244 HB2 PRO 36 2HB PRO 36 -1.216 8.843 -2.618 245 HB3 PRO 36 1HB PRO 36 -0.878 7.122 -2.803 246 HG2 PRO 36 2HG PRO 36 -1.871 8.577 -4.822 247 HG3 PRO 36 1HG PRO 36 -2.346 6.890 -4.574 248 HD2 PRO 36 2HD PRO 36 -3.840 9.393 -3.925 249 HD3 PRO 36 1HD PRO 36 -4.427 7.848 -4.582 250 H ASP 37 H ASP 37 -4.043 9.568 -1.126 251 HA ASP 37 HA ASP 37 -2.265 10.608 0.879 252 HB2 ASP 37 2HB ASP 37 -3.936 12.376 1.180 253 HB3 ASP 37 1HB ASP 37 -3.569 12.128 -0.519 254 H TYR 38 H TYR 38 -4.802 8.369 0.840 255 HA TYR 38 HA TYR 38 -5.556 8.826 3.609 256 HB2 TYR 38 2HB TYR 38 -7.139 8.281 1.647 257 HB3 TYR 38 1HB TYR 38 -6.507 6.650 1.742 258 HD1 TYR 38 1HD TYR 38 -7.900 5.171 2.817 259 HD2 TYR 38 2HD TYR 38 -7.834 9.202 4.123 260 HE1 TYR 38 1HE TYR 38 -9.605 4.650 4.476 261 HE2 TYR 38 2HE TYR 38 -9.548 8.698 5.799 262 HH TYR 38 HH TYR 38 -10.444 5.507 6.580 263 H ALA 39 H ALA 39 -5.648 6.659 4.966 264 HA ALA 39 HA ALA 39 -2.994 5.493 4.782 265 HB1 ALA 39 1HB ALA 39 -3.790 6.316 6.954 266 HB2 ALA 39 2HB ALA 39 -3.388 4.602 7.005 267 HB3 ALA 39 3HB ALA 39 -5.075 5.110 6.938 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -10.055 1.263 -5.833 2 HA2 GLY 1 2HA GLY 1 -9.519 -0.884 -6.490 3 HA3 GLY 1 1HA GLY 1 -7.941 -0.295 -7.002 4 H GLY 2 H GLY 2 -6.304 -0.795 -5.841 5 HA2 GLY 2 2HA GLY 2 -6.680 -2.245 -3.377 6 HA3 GLY 2 1HA GLY 2 -5.163 -2.030 -4.237 7 H VAL 3 H VAL 3 -7.549 -0.262 -2.413 8 HA VAL 3 HA VAL 3 -5.560 1.636 -1.447 9 HB VAL 3 HB VAL 3 -8.487 1.400 -0.671 10 HG11 VAL 3 1HG1 VAL 3 -8.279 3.758 -0.057 11 HG12 VAL 3 2HG1 VAL 3 -6.569 3.713 -0.489 12 HG13 VAL 3 3HG1 VAL 3 -7.165 2.737 0.854 13 HG21 VAL 3 1HG2 VAL 3 -8.357 1.682 -3.078 14 HG22 VAL 3 2HG2 VAL 3 -7.287 3.068 -2.876 15 HG23 VAL 3 3HG2 VAL 3 -8.958 3.155 -2.318 16 H CYS 4 H CYS 4 -4.570 1.319 0.464 17 HA CYS 4 HA CYS 4 -5.226 -1.172 1.780 18 HB2 CYS 4 2HB CYS 4 -2.842 0.628 2.143 19 HB3 CYS 4 1HB CYS 4 -3.057 -0.941 2.911 20 HA PRO 5 HA PRO 5 -7.255 0.835 5.254 21 HB2 PRO 5 2HB PRO 5 -6.597 -1.695 6.639 22 HB3 PRO 5 1HB PRO 5 -8.170 -0.939 6.392 23 HG2 PRO 5 2HG PRO 5 -7.494 -3.127 5.041 24 HG3 PRO 5 1HG PRO 5 -8.401 -1.822 4.254 25 HD2 PRO 5 2HD PRO 5 -5.487 -2.478 4.070 26 HD3 PRO 5 1HD PRO 5 -6.637 -1.997 2.798 27 H LYS 6 H LYS 6 -4.147 -0.658 5.303 28 HA LYS 6 HA LYS 6 -3.465 0.358 7.948 29 HB2 LYS 6 2HB LYS 6 -1.822 -1.263 6.002 30 HB3 LYS 6 1HB LYS 6 -1.374 -0.872 7.654 31 HG2 LYS 6 2HG LYS 6 -3.712 -2.576 6.812 32 HG3 LYS 6 1HG LYS 6 -2.185 -3.160 7.472 33 HD2 LYS 6 2HD LYS 6 -2.642 -1.928 9.555 34 HD3 LYS 6 1HD LYS 6 -4.183 -1.391 8.885 35 HE2 LYS 6 2HE LYS 6 -4.898 -3.715 8.687 36 HE3 LYS 6 1HE LYS 6 -3.360 -4.242 9.370 37 HZ1 LYS 6 1HZ LYS 6 -5.369 -2.552 10.756 38 HZ2 LYS 6 2HZ LYS 6 -3.913 -3.072 11.414 39 HZ3 LYS 6 3HZ LYS 6 -5.108 -4.191 11.043 40 H ILE 7 H ILE 7 -2.023 1.977 8.325 41 HA ILE 7 HA ILE 7 -1.315 3.617 6.049 42 HB ILE 7 HB ILE 7 -0.493 5.261 7.727 43 HG12 ILE 7 2HG1 ILE 7 -1.658 3.337 9.768 44 HG13 ILE 7 1HG1 ILE 7 0.053 3.661 9.542 45 HG21 ILE 7 1HG2 ILE 7 -2.703 5.472 6.837 46 HG22 ILE 7 2HG2 ILE 7 -2.731 5.896 8.552 47 HG23 ILE 7 3HG2 ILE 7 -3.320 4.321 8.017 48 HD11 ILE 7 1HD1 ILE 7 -0.832 4.853 11.467 49 HD12 ILE 7 2HD1 ILE 7 -2.021 5.653 10.438 50 HD13 ILE 7 3HD1 ILE 7 -0.303 5.983 10.220 51 H LEU 8 H LEU 8 0.681 4.129 5.413 52 HA LEU 8 HA LEU 8 2.795 3.700 4.798 53 HB2 LEU 8 2HB LEU 8 3.156 4.024 7.768 54 HB3 LEU 8 1HB LEU 8 4.499 3.929 6.656 55 HG LEU 8 HG LEU 8 3.575 6.005 5.539 56 HD11 LEU 8 1HD1 LEU 8 1.295 5.941 6.350 57 HD12 LEU 8 2HD1 LEU 8 2.087 7.437 6.851 58 HD13 LEU 8 3HD1 LEU 8 1.859 6.130 8.010 59 HD21 LEU 8 1HD2 LEU 8 5.488 6.083 7.013 60 HD22 LEU 8 2HD2 LEU 8 4.429 6.198 8.418 61 HD23 LEU 8 3HD2 LEU 8 4.479 7.511 7.240 62 H GLN 9 H GLN 9 2.243 1.501 4.082 63 HA GLN 9 HA GLN 9 3.580 -0.485 5.746 64 HB2 GLN 9 2HB GLN 9 1.198 -0.903 5.266 65 HB3 GLN 9 1HB GLN 9 1.535 -0.806 3.545 66 HG2 GLN 9 2HG GLN 9 3.003 -2.763 3.741 67 HG3 GLN 9 1HG GLN 9 2.607 -2.872 5.454 68 HE21 GLN 9 1HE2 GLN 9 -0.138 -2.092 5.021 69 HE22 GLN 9 2HE2 GLN 9 -0.953 -3.439 4.319 70 H ARG 10 H ARG 10 5.418 -1.235 4.951 71 HA ARG 10 HA ARG 10 6.477 -0.134 2.489 72 HB2 ARG 10 2HB ARG 10 7.664 -2.252 4.280 73 HB3 ARG 10 1HB ARG 10 8.507 -1.340 3.044 74 HG2 ARG 10 2HG ARG 10 8.213 0.700 4.373 75 HG3 ARG 10 1HG ARG 10 7.384 -0.246 5.616 76 HD2 ARG 10 2HD ARG 10 10.230 -0.590 4.680 77 HD3 ARG 10 1HD ARG 10 9.708 0.032 6.246 78 HE ARG 10 HE ARG 10 8.563 -2.397 6.177 79 HH11 ARG 10 1HH1 ARG 10 11.905 -1.375 5.691 80 HH12 ARG 10 2HH1 ARG 10 12.574 -2.877 6.122 81 HH21 ARG 10 1HH2 ARG 10 9.452 -4.422 6.754 82 HH22 ARG 10 2HH2 ARG 10 11.145 -4.671 6.760 83 H CYS 11 H CYS 11 7.243 -1.568 0.729 84 HA CYS 11 HA CYS 11 5.838 -4.135 0.788 85 HB2 CYS 11 2HB CYS 11 5.601 -3.970 -1.671 86 HB3 CYS 11 1HB CYS 11 4.728 -2.703 -0.823 87 H ARG 12 H ARG 12 7.033 -5.820 0.553 88 HA ARG 12 HA ARG 12 9.858 -5.645 -0.117 89 HB2 ARG 12 2HB ARG 12 8.723 -7.223 1.519 90 HB3 ARG 12 1HB ARG 12 8.065 -8.049 0.126 91 HG2 ARG 12 2HG ARG 12 10.405 -8.477 -0.611 92 HG3 ARG 12 1HG ARG 12 10.925 -7.830 0.951 93 HD2 ARG 12 2HD ARG 12 9.068 -10.126 0.500 94 HD3 ARG 12 1HD ARG 12 10.728 -10.254 1.111 95 HE ARG 12 HE ARG 12 8.974 -8.575 2.668 96 HH11 ARG 12 1HH1 ARG 12 10.144 -11.888 2.279 97 HH12 ARG 12 2HH1 ARG 12 9.687 -12.361 3.841 98 HH21 ARG 12 1HH2 ARG 12 8.308 -9.268 4.783 99 HH22 ARG 12 2HH2 ARG 12 8.618 -10.864 5.287 100 H ARG 13 H ARG 13 6.854 -6.768 -1.391 101 HA ARG 13 HA ARG 13 7.389 -6.029 -4.047 102 HB2 ARG 13 2HB ARG 13 6.912 -8.223 -5.069 103 HB3 ARG 13 1HB ARG 13 8.442 -8.234 -4.220 104 HG2 ARG 13 2HG ARG 13 7.461 -9.481 -2.404 105 HG3 ARG 13 1HG ARG 13 5.856 -9.334 -3.132 106 HD2 ARG 13 2HD ARG 13 6.863 -11.537 -3.582 107 HD3 ARG 13 1HD ARG 13 6.585 -10.611 -5.054 108 HE ARG 13 HE ARG 13 9.201 -10.512 -3.803 109 HH11 ARG 13 1HH1 ARG 13 7.179 -11.638 -6.498 110 HH12 ARG 13 2HH1 ARG 13 8.483 -12.040 -7.495 111 HH21 ARG 13 1HH2 ARG 13 10.984 -11.066 -5.182 112 HH22 ARG 13 2HH2 ARG 13 10.690 -11.718 -6.727 113 H ASP 14 H ASP 14 5.316 -7.015 -5.308 114 HA ASP 14 HA ASP 14 3.144 -5.833 -3.973 115 HB2 ASP 14 2HB ASP 14 1.757 -6.605 -5.884 116 HB3 ASP 14 1HB ASP 14 3.211 -5.749 -6.375 117 H SER 15 H SER 15 3.933 -9.259 -4.476 118 HA SER 15 HA SER 15 1.608 -10.361 -3.355 119 HB2 SER 15 2HB SER 15 4.396 -11.503 -3.273 120 HB3 SER 15 1HB SER 15 2.870 -12.394 -3.290 121 HG SER 15 HG SER 15 2.468 -11.523 -5.340 122 H ASP 16 H ASP 16 4.226 -8.766 -1.905 123 HA ASP 16 HA ASP 16 4.115 -9.979 0.675 124 HB2 ASP 16 2HB ASP 16 6.199 -9.079 -0.028 125 HB3 ASP 16 1HB ASP 16 5.472 -7.529 -0.414 126 H CYS 17 H CYS 17 2.399 -7.493 -0.965 127 HA CYS 17 HA CYS 17 1.403 -6.403 1.541 128 HB2 CYS 17 2HB CYS 17 0.669 -5.612 -1.293 129 HB3 CYS 17 1HB CYS 17 0.365 -4.699 0.178 130 HA PRO 18 HA PRO 18 -1.947 -9.337 1.139 131 HB2 PRO 18 2HB PRO 18 -3.466 -8.528 3.188 132 HB3 PRO 18 1HB PRO 18 -1.899 -9.309 3.444 133 HG2 PRO 18 2HG PRO 18 -2.601 -6.401 3.526 134 HG3 PRO 18 1HG PRO 18 -1.569 -7.326 4.629 135 HD2 PRO 18 2HD PRO 18 -0.608 -5.766 2.605 136 HD3 PRO 18 1HD PRO 18 0.245 -7.183 3.238 137 H GLY 19 H GLY 19 -3.916 -9.479 0.187 138 HA2 GLY 19 2HA GLY 19 -5.952 -8.851 -0.656 139 HA3 GLY 19 1HA GLY 19 -5.764 -7.291 0.139 140 H ALA 20 H ALA 20 -6.531 -6.266 -1.719 141 HA ALA 20 HA ALA 20 -5.235 -6.565 -4.250 142 HB1 ALA 20 1HB ALA 20 -7.589 -5.923 -4.053 143 HB2 ALA 20 2HB ALA 20 -6.669 -4.726 -4.968 144 HB3 ALA 20 3HB ALA 20 -7.112 -4.406 -3.290 145 H CYS 21 H CYS 21 -3.770 -5.632 -1.800 146 HA CYS 21 HA CYS 21 -2.835 -2.978 -2.529 147 HB2 CYS 21 2HB CYS 21 -2.184 -4.833 -0.238 148 HB3 CYS 21 1HB CYS 21 -1.297 -3.347 -0.535 149 H ILE 22 H ILE 22 -1.208 -2.776 -3.957 150 HA ILE 22 HA ILE 22 0.676 -5.009 -4.103 151 HB ILE 22 HB ILE 22 1.220 -4.348 -6.408 152 HG12 ILE 22 2HG1 ILE 22 -1.050 -2.352 -6.182 153 HG13 ILE 22 1HG1 ILE 22 0.659 -1.929 -6.201 154 HG21 ILE 22 1HG2 ILE 22 -0.868 -5.057 -7.498 155 HG22 ILE 22 2HG2 ILE 22 -1.728 -4.807 -5.979 156 HG23 ILE 22 3HG2 ILE 22 -0.475 -6.042 -6.088 157 HD11 ILE 22 1HD1 ILE 22 -0.362 -1.575 -8.370 158 HD12 ILE 22 2HD1 ILE 22 -0.861 -3.268 -8.427 159 HD13 ILE 22 3HD1 ILE 22 0.853 -2.850 -8.455 160 H CYS 23 H CYS 23 2.775 -3.977 -5.244 161 HA CYS 23 HA CYS 23 3.810 -2.148 -3.222 162 HB2 CYS 23 2HB CYS 23 4.998 -4.269 -3.789 163 HB3 CYS 23 1HB CYS 23 5.176 -3.697 -5.432 164 H ARG 24 H ARG 24 4.535 -0.089 -3.720 165 HA ARG 24 HA ARG 24 4.147 0.790 -6.485 166 HB2 ARG 24 2HB ARG 24 3.893 2.351 -3.903 167 HB3 ARG 24 1HB ARG 24 3.838 3.072 -5.502 168 HG2 ARG 24 2HG ARG 24 1.884 1.033 -4.445 169 HG3 ARG 24 1HG ARG 24 1.602 2.772 -4.548 170 HD2 ARG 24 2HD ARG 24 1.896 2.665 -6.985 171 HD3 ARG 24 1HD ARG 24 2.160 0.928 -6.873 172 HE ARG 24 HE ARG 24 -0.329 1.747 -5.731 173 HH11 ARG 24 1HH1 ARG 24 1.262 0.949 -8.799 174 HH12 ARG 24 2HH1 ARG 24 -0.158 0.444 -9.563 175 HH21 ARG 24 1HH2 ARG 24 -2.274 1.069 -6.796 176 HH22 ARG 24 2HH2 ARG 24 -2.239 0.499 -8.398 177 H GLY 25 H GLY 25 5.541 2.627 -7.104 178 HA2 GLY 25 2HA GLY 25 8.229 1.865 -7.051 179 HA3 GLY 25 1HA GLY 25 7.613 3.391 -7.653 180 H ASN 26 H ASN 26 6.525 3.888 -4.862 181 HA ASN 26 HA ASN 26 8.822 5.277 -3.899 182 HB2 ASN 26 2HB ASN 26 7.410 6.106 -2.100 183 HB3 ASN 26 1HB ASN 26 6.545 6.218 -3.622 184 HD21 ASN 26 1HD2 ASN 26 5.505 6.197 -0.942 185 HD22 ASN 26 2HD2 ASN 26 4.425 4.860 -0.824 186 H GLY 27 H GLY 27 7.685 2.098 -3.440 187 HA2 GLY 27 2HA GLY 27 9.061 0.488 -2.359 188 HA3 GLY 27 1HA GLY 27 9.673 1.757 -1.303 189 H TYR 28 H TYR 28 6.403 2.062 -1.689 190 HA TYR 28 HA TYR 28 5.872 0.522 0.721 191 HB2 TYR 28 2HB TYR 28 4.813 3.230 -0.099 192 HB3 TYR 28 1HB TYR 28 4.025 2.243 1.123 193 HD1 TYR 28 1HD TYR 28 5.042 1.917 3.288 194 HD2 TYR 28 2HD TYR 28 6.954 4.330 0.368 195 HE1 TYR 28 1HE TYR 28 6.503 2.839 5.029 196 HE2 TYR 28 2HE TYR 28 8.429 5.261 2.096 197 HH TYR 28 HH TYR 28 8.454 5.563 4.541 198 H CYS 29 H CYS 29 3.507 0.051 0.888 199 HA CYS 29 HA CYS 29 2.726 -1.325 -1.501 200 HB2 CYS 29 2HB CYS 29 1.507 -1.026 1.231 201 HB3 CYS 29 1HB CYS 29 0.748 -1.997 0.000 202 H GLY 30 H GLY 30 0.245 -1.185 -1.915 203 HA2 GLY 30 2HA GLY 30 -0.689 1.080 -3.037 204 HA3 GLY 30 1HA GLY 30 -1.764 -0.036 -2.202 205 H TYR 31 H TYR 31 -1.814 2.864 -2.460 206 HA TYR 31 HA TYR 31 -0.857 3.985 -0.090 207 HB2 TYR 31 2HB TYR 31 -2.798 5.121 -2.088 208 HB3 TYR 31 1HB TYR 31 -1.940 6.042 -0.852 209 HD1 TYR 31 1HD TYR 31 -1.875 5.004 -4.197 210 HD2 TYR 31 2HD TYR 31 0.707 5.742 -0.903 211 HE1 TYR 31 1HE TYR 31 0.001 5.229 -5.732 212 HE2 TYR 31 2HE TYR 31 2.606 5.984 -2.436 213 HH TYR 31 HH TYR 31 3.266 5.318 -4.738 214 HA PRO 32 HA PRO 32 -3.909 3.050 2.980 215 HB2 PRO 32 2HB PRO 32 -3.167 5.800 3.860 216 HB3 PRO 32 1HB PRO 32 -3.262 4.306 4.799 217 HG2 PRO 32 2HG PRO 32 -0.900 5.271 4.053 218 HG3 PRO 32 1HG PRO 32 -1.221 3.528 4.020 219 HD2 PRO 32 2HD PRO 32 -1.025 5.448 1.763 220 HD3 PRO 32 1HD PRO 32 -0.594 3.729 1.860 221 H TYR 33 H TYR 33 -5.866 3.751 3.767 222 HA TYR 33 HA TYR 33 -7.759 4.626 2.019 223 HB2 TYR 33 2HB TYR 33 -7.727 4.042 4.862 224 HB3 TYR 33 1HB TYR 33 -9.007 5.148 4.378 225 HD1 TYR 33 1HD TYR 33 -7.471 1.918 3.254 226 HD2 TYR 33 2HD TYR 33 -10.993 4.253 3.695 227 HE1 TYR 33 1HE TYR 33 -8.805 0.049 2.422 228 HE2 TYR 33 2HE TYR 33 -12.342 2.400 2.864 229 HH TYR 33 HH TYR 33 -11.092 -0.757 2.492 230 H ASP 34 H ASP 34 -5.725 6.836 3.630 231 HA ASP 34 HA ASP 34 -7.570 8.965 3.900 232 HB2 ASP 34 2HB ASP 34 -5.662 10.466 4.139 233 HB3 ASP 34 1HB ASP 34 -5.408 9.007 5.082 234 H VAL 35 H VAL 35 -5.828 7.728 1.201 235 HA VAL 35 HA VAL 35 -6.302 10.103 -0.348 236 HB VAL 35 HB VAL 35 -4.219 8.868 -0.714 237 HG11 VAL 35 1HG1 VAL 35 -5.955 6.607 -1.650 238 HG12 VAL 35 2HG1 VAL 35 -4.874 6.617 -0.260 239 HG13 VAL 35 3HG1 VAL 35 -4.213 6.705 -1.895 240 HG21 VAL 35 1HG2 VAL 35 -6.009 8.757 -3.123 241 HG22 VAL 35 2HG2 VAL 35 -4.241 8.777 -3.141 242 HG23 VAL 35 3HG2 VAL 35 -5.143 10.169 -2.533 243 HA PRO 36 HA PRO 36 -10.282 8.504 -1.631 244 HB2 PRO 36 2HB PRO 36 -11.329 10.788 -2.486 245 HB3 PRO 36 1HB PRO 36 -11.029 10.519 -0.766 246 HG2 PRO 36 2HG PRO 36 -9.448 12.109 -2.735 247 HG3 PRO 36 1HG PRO 36 -9.823 12.479 -1.044 248 HD2 PRO 36 2HD PRO 36 -7.432 11.382 -1.965 249 HD3 PRO 36 1HD PRO 36 -8.016 11.314 -0.289 250 H ASP 37 H ASP 37 -8.032 10.221 -3.731 251 HA ASP 37 HA ASP 37 -9.619 9.751 -6.110 252 HB2 ASP 37 2HB ASP 37 -7.918 10.985 -7.304 253 HB3 ASP 37 1HB ASP 37 -8.358 11.861 -5.845 254 H TYR 38 H TYR 38 -7.567 7.990 -4.352 255 HA TYR 38 HA TYR 38 -6.568 6.415 -6.611 256 HB2 TYR 38 2HB TYR 38 -4.896 7.159 -4.963 257 HB3 TYR 38 1HB TYR 38 -5.852 6.462 -3.674 258 HD1 TYR 38 1HD TYR 38 -3.873 5.589 -6.695 259 HD2 TYR 38 2HD TYR 38 -5.459 4.270 -2.977 260 HE1 TYR 38 1HE TYR 38 -2.512 3.558 -6.838 261 HE2 TYR 38 2HE TYR 38 -4.121 2.236 -3.109 262 HH TYR 38 HH TYR 38 -2.974 0.883 -4.757 263 H ALA 39 H ALA 39 -7.379 4.311 -6.836 264 HA ALA 39 HA ALA 39 -9.315 3.489 -4.866 265 HB1 ALA 39 1HB ALA 39 -10.867 2.917 -6.681 266 HB2 ALA 39 2HB ALA 39 -9.748 3.614 -7.850 267 HB3 ALA 39 3HB ALA 39 -10.523 4.646 -6.651 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -8.312 1.326 -8.884 2 HA2 GLY 1 2HA GLY 1 -9.370 2.757 -6.567 3 HA3 GLY 1 1HA GLY 1 -9.983 1.252 -7.223 4 H GLY 2 H GLY 2 -6.673 1.963 -6.339 5 HA2 GLY 2 2HA GLY 2 -6.635 -0.416 -4.666 6 HA3 GLY 2 1HA GLY 2 -5.233 0.537 -5.104 7 H VAL 3 H VAL 3 -8.272 1.170 -3.456 8 HA VAL 3 HA VAL 3 -6.755 2.524 -1.393 9 HB VAL 3 HB VAL 3 -8.572 3.875 -2.278 10 HG11 VAL 3 1HG1 VAL 3 -10.460 1.651 -1.546 11 HG12 VAL 3 2HG1 VAL 3 -10.028 2.178 -3.172 12 HG13 VAL 3 3HG1 VAL 3 -10.934 3.254 -2.110 13 HG21 VAL 3 1HG2 VAL 3 -9.863 4.363 -0.236 14 HG22 VAL 3 2HG2 VAL 3 -8.141 4.158 0.082 15 HG23 VAL 3 3HG2 VAL 3 -9.271 2.862 0.475 16 H CYS 4 H CYS 4 -6.061 1.245 0.058 17 HA CYS 4 HA CYS 4 -7.648 -1.086 0.867 18 HB2 CYS 4 2HB CYS 4 -4.764 -0.422 1.326 19 HB3 CYS 4 1HB CYS 4 -5.547 -1.882 1.896 20 HA PRO 5 HA PRO 5 -8.557 1.099 4.737 21 HB2 PRO 5 2HB PRO 5 -9.198 -1.621 5.687 22 HB3 PRO 5 1HB PRO 5 -10.217 -0.184 5.642 23 HG2 PRO 5 2HG PRO 5 -10.568 -2.251 3.951 24 HG3 PRO 5 1HG PRO 5 -10.906 -0.582 3.480 25 HD2 PRO 5 2HD PRO 5 -8.611 -2.327 2.732 26 HD3 PRO 5 1HD PRO 5 -9.422 -1.045 1.823 27 H LYS 6 H LYS 6 -6.221 -1.315 4.243 28 HA LYS 6 HA LYS 6 -5.451 -1.829 6.923 29 HB2 LYS 6 2HB LYS 6 -4.049 -2.341 4.322 30 HB3 LYS 6 1HB LYS 6 -3.323 -2.742 5.868 31 HG2 LYS 6 2HG LYS 6 -5.241 -4.204 6.367 32 HG3 LYS 6 1HG LYS 6 -5.914 -3.818 4.781 33 HD2 LYS 6 2HD LYS 6 -4.035 -4.822 3.673 34 HD3 LYS 6 1HD LYS 6 -3.193 -5.043 5.207 35 HE2 LYS 6 2HE LYS 6 -4.139 -7.152 4.474 36 HE3 LYS 6 1HE LYS 6 -4.956 -6.597 5.928 37 HZ1 LYS 6 1HZ LYS 6 -6.806 -5.849 4.543 38 HZ2 LYS 6 2HZ LYS 6 -6.489 -7.479 4.329 39 HZ3 LYS 6 3HZ LYS 6 -6.003 -6.386 3.154 40 H ILE 7 H ILE 7 -3.089 -1.587 7.564 41 HA ILE 7 HA ILE 7 -2.562 1.255 7.828 42 HB ILE 7 HB ILE 7 -1.378 -1.199 9.185 43 HG12 ILE 7 2HG1 ILE 7 -3.403 0.812 10.191 44 HG13 ILE 7 1HG1 ILE 7 -3.747 -0.840 9.702 45 HG21 ILE 7 1HG2 ILE 7 -1.018 1.704 9.925 46 HG22 ILE 7 2HG2 ILE 7 0.211 0.669 9.204 47 HG23 ILE 7 3HG2 ILE 7 -0.398 0.320 10.823 48 HD11 ILE 7 1HD1 ILE 7 -2.385 -1.666 11.540 49 HD12 ILE 7 2HD1 ILE 7 -3.672 -0.607 12.119 50 HD13 ILE 7 3HD1 ILE 7 -2.015 -0.011 12.015 51 H LEU 8 H LEU 8 -0.540 2.164 7.287 52 HA LEU 8 HA LEU 8 0.609 1.388 4.887 53 HB2 LEU 8 2HB LEU 8 1.720 3.182 7.026 54 HB3 LEU 8 1HB LEU 8 2.422 3.006 5.434 55 HG LEU 8 HG LEU 8 -0.330 4.098 6.026 56 HD11 LEU 8 1HD1 LEU 8 1.461 5.595 6.729 57 HD12 LEU 8 2HD1 LEU 8 0.613 6.232 5.326 58 HD13 LEU 8 3HD1 LEU 8 2.196 5.481 5.130 59 HD21 LEU 8 1HD2 LEU 8 -0.336 4.708 3.640 60 HD22 LEU 8 2HD2 LEU 8 -0.276 2.968 3.871 61 HD23 LEU 8 3HD2 LEU 8 1.188 3.847 3.422 62 H GLN 9 H GLN 9 2.497 0.456 4.265 63 HA GLN 9 HA GLN 9 4.322 -0.740 6.133 64 HB2 GLN 9 2HB GLN 9 2.295 -2.321 5.944 65 HB3 GLN 9 1HB GLN 9 2.728 -2.490 4.250 66 HG2 GLN 9 2HG GLN 9 4.965 -3.277 4.982 67 HG3 GLN 9 1HG GLN 9 4.356 -3.306 6.634 68 HE21 GLN 9 1HE2 GLN 9 2.587 -4.217 3.712 69 HE22 GLN 9 2HE2 GLN 9 2.428 -5.873 4.127 70 H ARG 10 H ARG 10 6.194 -1.428 4.938 71 HA ARG 10 HA ARG 10 6.462 -0.206 2.360 72 HB2 ARG 10 2HB ARG 10 8.355 -1.853 4.025 73 HB3 ARG 10 1HB ARG 10 8.778 -1.167 2.462 74 HG2 ARG 10 2HG ARG 10 8.398 1.081 3.400 75 HG3 ARG 10 1HG ARG 10 8.064 0.337 4.967 76 HD2 ARG 10 2HD ARG 10 10.279 -0.661 4.985 77 HD3 ARG 10 1HD ARG 10 10.627 0.051 3.411 78 HE ARG 10 HE ARG 10 9.903 2.095 5.153 79 HH11 ARG 10 1HH1 ARG 10 12.548 -0.211 4.727 80 HH12 ARG 10 2HH1 ARG 10 13.710 0.767 5.473 81 HH21 ARG 10 1HH2 ARG 10 11.481 3.440 6.143 82 HH22 ARG 10 2HH2 ARG 10 13.103 2.931 6.292 83 H CYS 11 H CYS 11 7.324 -1.558 0.525 84 HA CYS 11 HA CYS 11 6.120 -4.216 0.685 85 HB2 CYS 11 2HB CYS 11 5.523 -4.006 -1.684 86 HB3 CYS 11 1HB CYS 11 4.722 -2.810 -0.678 87 H ARG 12 H ARG 12 7.367 -5.783 0.280 88 HA ARG 12 HA ARG 12 10.009 -5.472 -0.861 89 HB2 ARG 12 2HB ARG 12 9.489 -7.163 0.884 90 HB3 ARG 12 1HB ARG 12 8.381 -7.939 -0.228 91 HG2 ARG 12 2HG ARG 12 10.241 -8.437 -1.729 92 HG3 ARG 12 1HG ARG 12 11.347 -7.686 -0.571 93 HD2 ARG 12 2HD ARG 12 9.544 -10.009 -0.044 94 HD3 ARG 12 1HD ARG 12 11.282 -10.146 -0.349 95 HE ARG 12 HE ARG 12 10.951 -8.394 1.779 96 HH11 ARG 12 1HH1 ARG 12 10.314 -11.814 1.143 97 HH12 ARG 12 2HH1 ARG 12 10.425 -12.284 2.770 98 HH21 ARG 12 1HH2 ARG 12 11.077 -9.053 4.041 99 HH22 ARG 12 2HH2 ARG 12 10.875 -10.698 4.426 100 H ARG 13 H ARG 13 6.920 -6.803 -1.695 101 HA ARG 13 HA ARG 13 7.188 -6.211 -4.454 102 HB2 ARG 13 2HB ARG 13 6.777 -8.517 -5.235 103 HB3 ARG 13 1HB ARG 13 8.349 -8.339 -4.497 104 HG2 ARG 13 2HG ARG 13 7.500 -9.387 -2.450 105 HG3 ARG 13 1HG ARG 13 5.916 -9.570 -3.212 106 HD2 ARG 13 2HD ARG 13 6.948 -10.942 -4.975 107 HD3 ARG 13 1HD ARG 13 8.504 -10.774 -4.167 108 HE ARG 13 HE ARG 13 6.964 -11.780 -2.241 109 HH11 ARG 13 1HH1 ARG 13 7.561 -12.804 -5.571 110 HH12 ARG 13 2HH1 ARG 13 7.285 -14.460 -5.254 111 HH21 ARG 13 1HH2 ARG 13 6.604 -14.084 -1.805 112 HH22 ARG 13 2HH2 ARG 13 6.720 -15.183 -3.081 113 H ASP 14 H ASP 14 5.051 -7.526 -5.439 114 HA ASP 14 HA ASP 14 2.921 -6.105 -4.160 115 HB2 ASP 14 2HB ASP 14 2.693 -8.228 -6.306 116 HB3 ASP 14 1HB ASP 14 1.406 -7.153 -5.791 117 H SER 15 H SER 15 3.890 -9.448 -4.243 118 HA SER 15 HA SER 15 1.634 -10.502 -2.902 119 HB2 SER 15 2HB SER 15 3.292 -11.800 -4.307 120 HB3 SER 15 1HB SER 15 4.432 -11.666 -2.973 121 HG SER 15 HG SER 15 2.069 -13.116 -3.195 122 H ASP 16 H ASP 16 4.138 -8.572 -1.789 123 HA ASP 16 HA ASP 16 4.214 -9.570 0.935 124 HB2 ASP 16 2HB ASP 16 6.264 -8.697 -0.126 125 HB3 ASP 16 1HB ASP 16 5.486 -7.145 -0.363 126 H CYS 17 H CYS 17 2.297 -7.560 -0.938 127 HA CYS 17 HA CYS 17 1.272 -6.017 1.338 128 HB2 CYS 17 2HB CYS 17 0.728 -5.733 -1.620 129 HB3 CYS 17 1HB CYS 17 0.296 -4.600 -0.344 130 HA PRO 18 HA PRO 18 -1.781 -9.302 1.135 131 HB2 PRO 18 2HB PRO 18 -3.071 -8.681 3.444 132 HB3 PRO 18 1HB PRO 18 -1.571 -9.601 3.381 133 HG2 PRO 18 2HG PRO 18 -2.007 -6.764 4.114 134 HG3 PRO 18 1HG PRO 18 -0.804 -7.935 4.682 135 HD2 PRO 18 2HD PRO 18 -0.342 -5.908 2.831 136 HD3 PRO 18 1HD PRO 18 0.683 -7.333 3.075 137 H GLY 19 H GLY 19 -3.473 -9.273 -0.011 138 HA2 GLY 19 2HA GLY 19 -5.773 -8.765 -0.370 139 HA3 GLY 19 1HA GLY 19 -5.460 -7.169 0.308 140 H ALA 20 H ALA 20 -6.508 -6.336 -1.602 141 HA ALA 20 HA ALA 20 -5.347 -6.707 -4.206 142 HB1 ALA 20 1HB ALA 20 -6.983 -5.017 -4.902 143 HB2 ALA 20 2HB ALA 20 -7.360 -4.688 -3.211 144 HB3 ALA 20 3HB ALA 20 -7.735 -6.263 -3.907 145 H CYS 21 H CYS 21 -3.789 -5.611 -1.970 146 HA CYS 21 HA CYS 21 -3.134 -2.881 -2.742 147 HB2 CYS 21 2HB CYS 21 -1.948 -4.615 -0.592 148 HB3 CYS 21 1HB CYS 21 -1.850 -2.880 -0.660 149 H ILE 22 H ILE 22 -1.304 -2.500 -3.914 150 HA ILE 22 HA ILE 22 0.385 -4.823 -4.599 151 HB ILE 22 HB ILE 22 0.957 -3.574 -6.673 152 HG12 ILE 22 2HG1 ILE 22 -1.258 -1.682 -5.815 153 HG13 ILE 22 1HG1 ILE 22 0.458 -1.297 -5.808 154 HG21 ILE 22 1HG2 ILE 22 -1.980 -4.123 -6.268 155 HG22 ILE 22 2HG2 ILE 22 -0.748 -5.289 -6.749 156 HG23 ILE 22 3HG2 ILE 22 -1.181 -3.967 -7.832 157 HD11 ILE 22 1HD1 ILE 22 -1.207 -1.934 -8.233 158 HD12 ILE 22 2HD1 ILE 22 0.513 -1.550 -8.234 159 HD13 ILE 22 3HD1 ILE 22 -0.660 -0.333 -7.729 160 H CYS 23 H CYS 23 2.641 -3.907 -5.440 161 HA CYS 23 HA CYS 23 3.689 -2.302 -3.234 162 HB2 CYS 23 2HB CYS 23 4.879 -4.376 -3.906 163 HB3 CYS 23 1HB CYS 23 5.094 -3.722 -5.518 164 H ARG 24 H ARG 24 4.714 -0.242 -3.569 165 HA ARG 24 HA ARG 24 4.299 0.836 -6.263 166 HB2 ARG 24 2HB ARG 24 4.279 2.351 -3.647 167 HB3 ARG 24 1HB ARG 24 4.070 3.053 -5.244 168 HG2 ARG 24 2HG ARG 24 2.024 1.676 -5.517 169 HG3 ARG 24 1HG ARG 24 2.218 1.150 -3.846 170 HD2 ARG 24 2HD ARG 24 1.911 3.988 -4.769 171 HD3 ARG 24 1HD ARG 24 0.623 3.006 -4.083 172 HE ARG 24 HE ARG 24 2.836 3.142 -2.338 173 HH11 ARG 24 1HH1 ARG 24 0.070 4.997 -3.524 174 HH12 ARG 24 2HH1 ARG 24 -0.019 6.074 -2.231 175 HH21 ARG 24 1HH2 ARG 24 2.723 4.670 -0.422 176 HH22 ARG 24 2HH2 ARG 24 1.532 5.869 -0.436 177 H GLY 25 H GLY 25 5.833 2.468 -6.932 178 HA2 GLY 25 2HA GLY 25 8.480 1.548 -6.713 179 HA3 GLY 25 1HA GLY 25 7.980 3.066 -7.440 180 H ASN 26 H ASN 26 6.740 3.954 -4.958 181 HA ASN 26 HA ASN 26 8.964 5.216 -3.786 182 HB2 ASN 26 2HB ASN 26 7.389 6.140 -2.111 183 HB3 ASN 26 1HB ASN 26 6.883 6.391 -3.770 184 HD21 ASN 26 1HD2 ASN 26 4.814 6.752 -3.144 185 HD22 ASN 26 2HD2 ASN 26 3.727 5.535 -2.623 186 H GLY 27 H GLY 27 7.681 2.143 -3.199 187 HA2 GLY 27 2HA GLY 27 9.075 0.654 -1.948 188 HA3 GLY 27 1HA GLY 27 9.452 1.984 -0.867 189 H TYR 28 H TYR 28 6.328 2.417 -1.316 190 HA TYR 28 HA TYR 28 5.640 0.728 0.978 191 HB2 TYR 28 2HB TYR 28 4.402 3.305 0.022 192 HB3 TYR 28 1HB TYR 28 3.740 2.310 1.306 193 HD1 TYR 28 1HD TYR 28 6.006 4.940 0.481 194 HD2 TYR 28 2HD TYR 28 5.212 1.916 3.364 195 HE1 TYR 28 1HE TYR 28 7.367 6.147 2.113 196 HE2 TYR 28 2HE TYR 28 6.571 3.114 5.006 197 HH TYR 28 HH TYR 28 7.478 6.290 4.618 198 H CYS 29 H CYS 29 3.589 -0.234 1.038 199 HA CYS 29 HA CYS 29 2.717 -1.267 -1.457 200 HB2 CYS 29 2HB CYS 29 1.450 -1.391 1.282 201 HB3 CYS 29 1HB CYS 29 0.833 -2.235 -0.129 202 H GLY 30 H GLY 30 0.676 -0.990 -2.381 203 HA2 GLY 30 2HA GLY 30 -0.163 1.752 -2.434 204 HA3 GLY 30 1HA GLY 30 -0.746 0.447 -3.463 205 H TYR 31 H TYR 31 -0.740 1.389 -0.116 206 HA TYR 31 HA TYR 31 -3.387 0.349 0.218 207 HB2 TYR 31 2HB TYR 31 -1.721 1.910 2.225 208 HB3 TYR 31 1HB TYR 31 -3.269 1.161 2.553 209 HD1 TYR 31 1HD TYR 31 -3.242 -1.494 1.768 210 HD2 TYR 31 2HD TYR 31 0.080 0.805 3.052 211 HE1 TYR 31 1HE TYR 31 -2.133 -3.533 2.473 212 HE2 TYR 31 2HE TYR 31 1.215 -1.253 3.760 213 HH TYR 31 HH TYR 31 0.399 -3.622 4.498 214 HA PRO 32 HA PRO 32 -4.412 5.053 0.419 215 HB2 PRO 32 2HB PRO 32 -2.203 6.383 -0.992 216 HB3 PRO 32 1HB PRO 32 -2.968 6.814 0.541 217 HG2 PRO 32 2HG PRO 32 -0.490 5.819 0.480 218 HG3 PRO 32 1HG PRO 32 -1.632 5.375 1.764 219 HD2 PRO 32 2HD PRO 32 -0.912 3.863 -0.717 220 HD3 PRO 32 1HD PRO 32 -1.001 3.280 0.957 221 H TYR 33 H TYR 33 -5.565 6.070 -1.061 222 HA TYR 33 HA TYR 33 -6.440 4.783 -3.323 223 HB2 TYR 33 2HB TYR 33 -7.799 6.646 -3.731 224 HB3 TYR 33 1HB TYR 33 -7.612 6.511 -1.974 225 HD1 TYR 33 1HD TYR 33 -5.845 8.117 -0.891 226 HD2 TYR 33 2HD TYR 33 -7.410 8.684 -4.811 227 HE1 TYR 33 1HE TYR 33 -5.138 10.438 -0.830 228 HE2 TYR 33 2HE TYR 33 -6.696 11.024 -4.755 229 HH TYR 33 HH TYR 33 -6.134 12.749 -3.128 230 H ASP 34 H ASP 34 -3.887 7.022 -3.113 231 HA ASP 34 HA ASP 34 -3.987 8.251 -5.645 232 HB2 ASP 34 2HB ASP 34 -1.816 9.208 -5.234 233 HB3 ASP 34 1HB ASP 34 -2.780 9.252 -3.768 234 H VAL 35 H VAL 35 -3.407 5.109 -5.387 235 HA VAL 35 HA VAL 35 -1.222 4.700 -7.138 236 HB VAL 35 HB VAL 35 -2.228 2.398 -7.521 237 HG11 VAL 35 1HG1 VAL 35 -1.863 1.648 -5.211 238 HG12 VAL 35 2HG1 VAL 35 -1.934 3.326 -4.665 239 HG13 VAL 35 3HG1 VAL 35 -0.635 2.797 -5.737 240 HG21 VAL 35 1HG2 VAL 35 -4.588 3.008 -7.239 241 HG22 VAL 35 2HG2 VAL 35 -4.287 3.376 -5.538 242 HG23 VAL 35 3HG2 VAL 35 -4.099 1.727 -6.136 243 HA PRO 36 HA PRO 36 -3.440 6.290 -10.732 244 HB2 PRO 36 2HB PRO 36 -0.970 5.982 -12.219 245 HB3 PRO 36 1HB PRO 36 -1.782 7.468 -11.728 246 HG2 PRO 36 2HG PRO 36 0.595 6.662 -10.669 247 HG3 PRO 36 1HG PRO 36 -0.587 7.616 -9.762 248 HD2 PRO 36 2HD PRO 36 -0.043 4.684 -9.674 249 HD3 PRO 36 1HD PRO 36 -0.350 5.844 -8.354 250 H ASP 37 H ASP 37 -1.177 3.574 -11.086 251 HA ASP 37 HA ASP 37 -2.511 2.693 -13.474 252 HB2 ASP 37 2HB ASP 37 -0.818 0.910 -13.527 253 HB3 ASP 37 1HB ASP 37 -0.089 2.503 -13.358 254 H TYR 38 H TYR 38 -3.007 2.185 -10.205 255 HA TYR 38 HA TYR 38 -4.409 -0.328 -10.843 256 HB2 TYR 38 2HB TYR 38 -2.692 -0.295 -8.918 257 HB3 TYR 38 1HB TYR 38 -3.889 0.635 -8.027 258 HD1 TYR 38 1HD TYR 38 -6.009 -0.457 -7.282 259 HD2 TYR 38 2HD TYR 38 -2.985 -2.641 -9.324 260 HE1 TYR 38 1HE TYR 38 -7.066 -2.567 -6.590 261 HE2 TYR 38 2HE TYR 38 -4.026 -4.736 -8.640 262 HH TYR 38 HH TYR 38 -5.519 -5.533 -6.807 263 H ALA 39 H ALA 39 -4.787 2.849 -9.912 264 HA ALA 39 HA ALA 39 -6.488 4.269 -9.701 265 HB1 ALA 39 1HB ALA 39 -7.342 3.273 -11.770 266 HB2 ALA 39 2HB ALA 39 -8.663 3.773 -10.713 267 HB3 ALA 39 3HB ALA 39 -8.222 2.072 -10.830 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -11.397 4.084 -5.127 2 HA2 GLY 1 2HA GLY 1 -12.097 2.211 -6.279 3 HA3 GLY 1 1HA GLY 1 -10.716 2.415 -7.359 4 H GLY 2 H GLY 2 -8.976 1.201 -7.081 5 HA2 GLY 2 2HA GLY 2 -9.104 -0.912 -5.114 6 HA3 GLY 2 1HA GLY 2 -7.908 -0.740 -6.397 7 H VAL 3 H VAL 3 -8.982 1.063 -3.633 8 HA VAL 3 HA VAL 3 -6.288 1.991 -3.091 9 HB VAL 3 HB VAL 3 -8.224 3.551 -3.088 10 HG11 VAL 3 1HG1 VAL 3 -9.967 2.151 -2.304 11 HG12 VAL 3 2HG1 VAL 3 -9.830 3.548 -1.234 12 HG13 VAL 3 3HG1 VAL 3 -9.193 1.982 -0.731 13 HG21 VAL 3 1HG2 VAL 3 -6.905 3.290 -0.391 14 HG22 VAL 3 2HG2 VAL 3 -7.758 4.718 -0.973 15 HG23 VAL 3 3HG2 VAL 3 -6.285 4.182 -1.780 16 H CYS 4 H CYS 4 -5.398 1.723 -0.883 17 HA CYS 4 HA CYS 4 -6.112 -0.908 0.060 18 HB2 CYS 4 2HB CYS 4 -3.665 0.777 0.482 19 HB3 CYS 4 1HB CYS 4 -3.953 -0.722 1.366 20 HA PRO 5 HA PRO 5 -8.090 0.838 3.636 21 HB2 PRO 5 2HB PRO 5 -9.040 -1.467 4.641 22 HB3 PRO 5 1HB PRO 5 -9.734 -0.742 3.186 23 HG2 PRO 5 2HG PRO 5 -7.779 -2.995 3.425 24 HG3 PRO 5 1HG PRO 5 -9.190 -2.852 2.362 25 HD2 PRO 5 2HD PRO 5 -6.619 -2.363 1.554 26 HD3 PRO 5 1HD PRO 5 -8.049 -1.609 0.817 27 H LYS 6 H LYS 6 -5.448 -1.179 3.470 28 HA LYS 6 HA LYS 6 -5.063 -1.612 6.298 29 HB2 LYS 6 2HB LYS 6 -3.225 -2.126 3.956 30 HB3 LYS 6 1HB LYS 6 -2.920 -2.642 5.602 31 HG2 LYS 6 2HG LYS 6 -5.163 -3.561 3.819 32 HG3 LYS 6 1HG LYS 6 -3.734 -4.493 4.272 33 HD2 LYS 6 2HD LYS 6 -4.494 -4.305 6.666 34 HD3 LYS 6 1HD LYS 6 -5.973 -3.557 6.070 35 HE2 LYS 6 2HE LYS 6 -4.993 -6.317 5.352 36 HE3 LYS 6 1HE LYS 6 -6.272 -5.949 6.504 37 HZ1 LYS 6 1HZ LYS 6 -6.348 -5.289 3.607 38 HZ2 LYS 6 2HZ LYS 6 -7.625 -5.086 4.711 39 HZ3 LYS 6 3HZ LYS 6 -7.078 -6.612 4.314 40 H ILE 7 H ILE 7 -2.502 -1.151 6.815 41 HA ILE 7 HA ILE 7 -2.308 1.746 6.800 42 HB ILE 7 HB ILE 7 -0.594 -0.360 8.217 43 HG12 ILE 7 2HG1 ILE 7 -2.880 1.294 9.290 44 HG13 ILE 7 1HG1 ILE 7 -2.954 -0.418 8.909 45 HG21 ILE 7 1HG2 ILE 7 0.125 1.484 9.682 46 HG22 ILE 7 2HG2 ILE 7 -0.816 2.619 8.714 47 HG23 ILE 7 3HG2 ILE 7 0.568 1.789 8.003 48 HD11 ILE 7 1HD1 ILE 7 -1.306 -0.865 10.657 49 HD12 ILE 7 2HD1 ILE 7 -2.727 -0.035 11.293 50 HD13 ILE 7 3HD1 ILE 7 -1.233 0.859 11.018 51 H LEU 8 H LEU 8 -0.009 2.626 6.336 52 HA LEU 8 HA LEU 8 0.714 1.743 3.736 53 HB2 LEU 8 2HB LEU 8 0.706 4.119 4.437 54 HB3 LEU 8 1HB LEU 8 2.054 3.783 5.501 55 HG LEU 8 HG LEU 8 3.387 3.137 3.494 56 HD11 LEU 8 1HD1 LEU 8 1.040 4.299 2.007 57 HD12 LEU 8 2HD1 LEU 8 1.575 2.617 1.964 58 HD13 LEU 8 3HD1 LEU 8 2.602 3.888 1.302 59 HD21 LEU 8 1HD2 LEU 8 3.799 5.421 2.802 60 HD22 LEU 8 2HD2 LEU 8 3.587 5.305 4.548 61 HD23 LEU 8 3HD2 LEU 8 2.280 5.932 3.542 62 H GLN 9 H GLN 9 1.337 -0.336 4.176 63 HA GLN 9 HA GLN 9 3.631 -1.033 5.740 64 HB2 GLN 9 2HB GLN 9 1.862 -2.637 5.456 65 HB3 GLN 9 1HB GLN 9 1.940 -2.494 3.708 66 HG2 GLN 9 2HG GLN 9 4.219 -3.471 3.794 67 HG3 GLN 9 1HG GLN 9 3.988 -3.722 5.521 68 HE21 GLN 9 1HE2 GLN 9 4.387 -5.547 3.225 69 HE22 GLN 9 2HE2 GLN 9 3.096 -6.678 3.317 70 H ARG 10 H ARG 10 5.662 -1.664 4.918 71 HA ARG 10 HA ARG 10 6.450 -0.478 2.424 72 HB2 ARG 10 2HB ARG 10 7.975 -0.330 4.245 73 HB3 ARG 10 1HB ARG 10 7.940 -2.090 4.471 74 HG2 ARG 10 2HG ARG 10 9.183 -2.397 2.452 75 HG3 ARG 10 1HG ARG 10 9.059 -0.680 2.063 76 HD2 ARG 10 2HD ARG 10 11.256 -1.307 2.993 77 HD3 ARG 10 1HD ARG 10 10.415 -0.099 3.958 78 HE ARG 10 HE ARG 10 9.734 -2.396 5.180 79 HH11 ARG 10 1HH1 ARG 10 12.909 -1.157 4.169 80 HH12 ARG 10 2HH1 ARG 10 13.734 -1.822 5.497 81 HH21 ARG 10 1HH2 ARG 10 10.903 -3.314 7.002 82 HH22 ARG 10 2HH2 ARG 10 12.576 -3.053 7.117 83 H CYS 11 H CYS 11 7.362 -1.713 0.729 84 HA CYS 11 HA CYS 11 6.135 -4.403 0.628 85 HB2 CYS 11 2HB CYS 11 5.563 -4.040 -1.725 86 HB3 CYS 11 1HB CYS 11 4.769 -2.887 -0.663 87 H ARG 12 H ARG 12 7.273 -5.999 -0.140 88 HA ARG 12 HA ARG 12 9.866 -5.409 -1.414 89 HB2 ARG 12 2HB ARG 12 8.847 -8.057 -0.312 90 HB3 ARG 12 1HB ARG 12 10.413 -7.823 -1.064 91 HG2 ARG 12 2HG ARG 12 10.796 -7.891 1.273 92 HG3 ARG 12 1HG ARG 12 10.929 -6.195 0.812 93 HD2 ARG 12 2HD ARG 12 8.619 -5.838 1.548 94 HD3 ARG 12 1HD ARG 12 8.521 -7.525 2.032 95 HE ARG 12 HE ARG 12 10.693 -6.427 3.323 96 HH11 ARG 12 1HH1 ARG 12 7.165 -6.004 3.227 97 HH12 ARG 12 2HH1 ARG 12 7.028 -5.450 4.816 98 HH21 ARG 12 1HH2 ARG 12 10.529 -5.693 5.561 99 HH22 ARG 12 2HH2 ARG 12 9.020 -5.269 6.206 100 H ARG 13 H ARG 13 6.738 -6.679 -1.882 101 HA ARG 13 HA ARG 13 6.922 -6.658 -4.677 102 HB2 ARG 13 2HB ARG 13 6.286 -9.011 -5.065 103 HB3 ARG 13 1HB ARG 13 7.901 -8.881 -4.414 104 HG2 ARG 13 2HG ARG 13 6.960 -9.475 -2.177 105 HG3 ARG 13 1HG ARG 13 5.396 -9.718 -2.958 106 HD2 ARG 13 2HD ARG 13 6.514 -11.855 -2.722 107 HD3 ARG 13 1HD ARG 13 6.427 -11.419 -4.428 108 HE ARG 13 HE ARG 13 8.860 -10.672 -3.051 109 HH11 ARG 13 1HH1 ARG 13 7.287 -13.117 -5.058 110 HH12 ARG 13 2HH1 ARG 13 8.730 -13.835 -5.576 111 HH21 ARG 13 1HH2 ARG 13 10.852 -11.619 -3.791 112 HH22 ARG 13 2HH2 ARG 13 10.833 -12.953 -4.840 113 H ASP 14 H ASP 14 4.714 -7.709 -5.446 114 HA ASP 14 HA ASP 14 2.748 -6.083 -4.185 115 HB2 ASP 14 2HB ASP 14 1.187 -6.865 -5.863 116 HB3 ASP 14 1HB ASP 14 2.740 -6.622 -6.647 117 H SER 15 H SER 15 3.263 -9.557 -4.314 118 HA SER 15 HA SER 15 1.015 -10.358 -2.854 119 HB2 SER 15 2HB SER 15 2.454 -11.834 -4.275 120 HB3 SER 15 1HB SER 15 3.687 -11.767 -3.024 121 HG SER 15 HG SER 15 1.307 -13.127 -3.136 122 H ASP 16 H ASP 16 3.838 -8.782 -1.789 123 HA ASP 16 HA ASP 16 3.969 -9.849 0.869 124 HB2 ASP 16 2HB ASP 16 5.958 -8.840 -0.212 125 HB3 ASP 16 1HB ASP 16 5.139 -7.286 -0.260 126 H CYS 17 H CYS 17 2.169 -7.417 -0.761 127 HA CYS 17 HA CYS 17 1.328 -6.131 1.711 128 HB2 CYS 17 2HB CYS 17 0.545 -5.519 -1.138 129 HB3 CYS 17 1HB CYS 17 0.376 -4.475 0.268 130 HA PRO 18 HA PRO 18 -2.072 -9.126 1.860 131 HB2 PRO 18 2HB PRO 18 -3.176 -7.014 3.650 132 HB3 PRO 18 1HB PRO 18 -3.033 -8.753 3.927 133 HG2 PRO 18 2HG PRO 18 -1.353 -7.108 5.108 134 HG3 PRO 18 1HG PRO 18 -0.756 -8.620 4.400 135 HD2 PRO 18 2HD PRO 18 -0.568 -5.829 3.332 136 HD3 PRO 18 1HD PRO 18 0.640 -7.132 3.329 137 H GLY 19 H GLY 19 -3.862 -9.356 0.745 138 HA2 GLY 19 2HA GLY 19 -5.817 -8.862 -0.366 139 HA3 GLY 19 1HA GLY 19 -5.660 -7.193 0.169 140 H ALA 20 H ALA 20 -6.286 -6.552 -1.905 141 HA ALA 20 HA ALA 20 -4.720 -7.271 -4.214 142 HB1 ALA 20 1HB ALA 20 -6.887 -5.206 -3.871 143 HB2 ALA 20 2HB ALA 20 -7.126 -6.881 -4.372 144 HB3 ALA 20 3HB ALA 20 -6.227 -5.769 -5.405 145 H CYS 21 H CYS 21 -3.386 -5.926 -2.029 146 HA CYS 21 HA CYS 21 -2.799 -3.286 -3.052 147 HB2 CYS 21 2HB CYS 21 -1.906 -4.750 -0.580 148 HB3 CYS 21 1HB CYS 21 -1.283 -3.166 -1.024 149 H ILE 22 H ILE 22 -1.000 -2.780 -4.130 150 HA ILE 22 HA ILE 22 0.851 -4.996 -4.640 151 HB ILE 22 HB ILE 22 1.389 -3.899 -6.776 152 HG12 ILE 22 2HG1 ILE 22 -0.837 -1.946 -6.103 153 HG13 ILE 22 1HG1 ILE 22 0.878 -1.560 -6.063 154 HG21 ILE 22 1HG2 ILE 22 -0.752 -4.332 -7.930 155 HG22 ILE 22 2HG2 ILE 22 -1.554 -4.393 -6.360 156 HG23 ILE 22 3HG2 ILE 22 -0.334 -5.596 -6.772 157 HD11 ILE 22 1HD1 ILE 22 -0.188 -0.738 -8.092 158 HD12 ILE 22 2HD1 ILE 22 -0.684 -2.382 -8.505 159 HD13 ILE 22 3HD1 ILE 22 1.027 -1.962 -8.462 160 H CYS 23 H CYS 23 3.024 -3.901 -5.517 161 HA CYS 23 HA CYS 23 3.959 -2.296 -3.286 162 HB2 CYS 23 2HB CYS 23 5.200 -4.356 -4.028 163 HB3 CYS 23 1HB CYS 23 5.487 -3.576 -5.574 164 H ARG 24 H ARG 24 4.714 -0.168 -3.582 165 HA ARG 24 HA ARG 24 4.296 0.874 -6.276 166 HB2 ARG 24 2HB ARG 24 3.784 2.209 -3.621 167 HB3 ARG 24 1HB ARG 24 3.798 3.074 -5.147 168 HG2 ARG 24 2HG ARG 24 1.936 0.777 -4.529 169 HG3 ARG 24 1HG ARG 24 1.521 2.471 -4.291 170 HD2 ARG 24 2HD ARG 24 0.608 1.673 -6.404 171 HD3 ARG 24 1HD ARG 24 1.857 2.876 -6.703 172 HE ARG 24 HE ARG 24 2.694 0.099 -6.798 173 HH11 ARG 24 1HH1 ARG 24 1.601 2.885 -8.675 174 HH12 ARG 24 2HH1 ARG 24 2.269 2.340 -10.135 175 HH21 ARG 24 1HH2 ARG 24 3.614 -0.657 -8.807 176 HH22 ARG 24 2HH2 ARG 24 3.427 0.266 -10.223 177 H GLY 25 H GLY 25 5.576 2.706 -6.869 178 HA2 GLY 25 2HA GLY 25 8.293 2.098 -6.687 179 HA3 GLY 25 1HA GLY 25 7.618 3.565 -7.369 180 H ASN 26 H ASN 26 6.406 4.054 -4.623 181 HA ASN 26 HA ASN 26 8.541 5.708 -3.675 182 HB2 ASN 26 2HB ASN 26 7.041 6.434 -1.897 183 HB3 ASN 26 1HB ASN 26 6.162 6.390 -3.421 184 HD21 ASN 26 1HD2 ASN 26 4.414 5.010 -3.614 185 HD22 ASN 26 2HD2 ASN 26 3.861 4.034 -2.314 186 H GLY 27 H GLY 27 7.670 2.447 -3.035 187 HA2 GLY 27 2HA GLY 27 9.434 1.142 -1.929 188 HA3 GLY 27 1HA GLY 27 9.550 2.447 -0.757 189 H TYR 28 H TYR 28 6.528 2.632 -0.954 190 HA TYR 28 HA TYR 28 6.016 0.442 0.873 191 HB2 TYR 28 2HB TYR 28 4.668 3.134 0.643 192 HB3 TYR 28 1HB TYR 28 4.188 1.863 1.762 193 HD1 TYR 28 1HD TYR 28 5.564 1.351 3.713 194 HD2 TYR 28 2HD TYR 28 6.674 4.445 1.023 195 HE1 TYR 28 1HE TYR 28 7.165 2.201 5.360 196 HE2 TYR 28 2HE TYR 28 8.278 5.308 2.658 197 HH TYR 28 HH TYR 28 8.607 5.236 5.096 198 H CYS 29 H CYS 29 3.531 0.022 0.921 199 HA CYS 29 HA CYS 29 2.999 -1.217 -1.590 200 HB2 CYS 29 2HB CYS 29 1.391 -1.083 0.964 201 HB3 CYS 29 1HB CYS 29 0.978 -2.075 -0.427 202 H GLY 30 H GLY 30 0.518 -1.208 -2.148 203 HA2 GLY 30 2HA GLY 30 -0.282 1.009 -3.423 204 HA3 GLY 30 1HA GLY 30 -1.428 -0.152 -2.755 205 H TYR 31 H TYR 31 -1.412 2.772 -3.046 206 HA TYR 31 HA TYR 31 -0.906 3.974 -0.591 207 HB2 TYR 31 2HB TYR 31 -2.542 4.971 -2.908 208 HB3 TYR 31 1HB TYR 31 -2.049 5.952 -1.528 209 HD1 TYR 31 1HD TYR 31 0.433 6.270 -1.105 210 HD2 TYR 31 2HD TYR 31 -1.085 4.623 -4.709 211 HE1 TYR 31 1HE TYR 31 2.576 6.721 -2.208 212 HE2 TYR 31 2HE TYR 31 1.041 5.064 -5.825 213 HH TYR 31 HH TYR 31 2.987 6.577 -5.556 214 HA PRO 32 HA PRO 32 -4.575 2.997 1.771 215 HB2 PRO 32 2HB PRO 32 -3.553 5.277 3.362 216 HB3 PRO 32 1HB PRO 32 -3.922 3.636 3.893 217 HG2 PRO 32 2HG PRO 32 -1.415 4.445 3.675 218 HG3 PRO 32 1HG PRO 32 -1.883 2.808 3.181 219 HD2 PRO 32 2HD PRO 32 -1.320 5.208 1.490 220 HD3 PRO 32 1HD PRO 32 -0.881 3.494 1.264 221 H TYR 33 H TYR 33 -6.225 4.570 2.965 222 HA TYR 33 HA TYR 33 -7.612 5.936 0.935 223 HB2 TYR 33 2HB TYR 33 -8.045 5.876 3.899 224 HB3 TYR 33 1HB TYR 33 -9.079 6.788 2.815 225 HD1 TYR 33 1HD TYR 33 -10.258 5.479 0.946 226 HD2 TYR 33 2HD TYR 33 -8.449 3.637 4.310 227 HE1 TYR 33 1HE TYR 33 -11.660 3.496 0.608 228 HE2 TYR 33 2HE TYR 33 -9.840 1.656 3.974 229 HH TYR 33 HH TYR 33 -11.914 1.043 2.978 230 H ASP 34 H ASP 34 -5.096 7.120 2.830 231 HA ASP 34 HA ASP 34 -5.954 9.765 3.240 232 HB2 ASP 34 2HB ASP 34 -3.656 10.359 3.714 233 HB3 ASP 34 1HB ASP 34 -4.028 8.812 4.452 234 H VAL 35 H VAL 35 -4.649 8.252 0.414 235 HA VAL 35 HA VAL 35 -4.046 10.751 -0.851 236 HB VAL 35 HB VAL 35 -3.682 9.422 -2.931 237 HG11 VAL 35 1HG1 VAL 35 -2.324 8.348 -0.471 238 HG12 VAL 35 2HG1 VAL 35 -1.855 9.779 -1.390 239 HG13 VAL 35 3HG1 VAL 35 -1.731 8.180 -2.123 240 HG21 VAL 35 1HG2 VAL 35 -5.320 7.649 -2.579 241 HG22 VAL 35 2HG2 VAL 35 -4.410 7.067 -1.188 242 HG23 VAL 35 3HG2 VAL 35 -3.709 6.961 -2.801 243 HA PRO 36 HA PRO 36 -8.265 11.332 -2.211 244 HB2 PRO 36 2HB PRO 36 -7.981 13.831 -3.146 245 HB3 PRO 36 1HB PRO 36 -7.960 13.497 -1.412 246 HG2 PRO 36 2HG PRO 36 -5.685 14.033 -3.268 247 HG3 PRO 36 1HG PRO 36 -5.921 14.579 -1.602 248 HD2 PRO 36 2HD PRO 36 -4.336 12.440 -2.361 249 HD3 PRO 36 1HD PRO 36 -5.017 12.671 -0.735 250 H ASP 37 H ASP 37 -5.408 11.397 -4.085 251 HA ASP 37 HA ASP 37 -6.666 11.900 -6.654 252 HB2 ASP 37 2HB ASP 37 -4.395 11.883 -7.501 253 HB3 ASP 37 1HB ASP 37 -4.485 12.894 -6.063 254 H TYR 38 H TYR 38 -6.444 9.276 -4.741 255 HA TYR 38 HA TYR 38 -6.530 7.458 -6.996 256 HB2 TYR 38 2HB TYR 38 -4.195 7.408 -6.304 257 HB3 TYR 38 1HB TYR 38 -4.666 7.156 -4.635 258 HD1 TYR 38 1HD TYR 38 -4.901 5.569 -8.004 259 HD2 TYR 38 2HD TYR 38 -4.758 4.983 -3.791 260 HE1 TYR 38 1HE TYR 38 -4.706 3.159 -8.353 261 HE2 TYR 38 2HE TYR 38 -4.563 2.572 -4.128 262 HH TYR 38 HH TYR 38 -5.102 0.921 -5.841 263 H ALA 39 H ALA 39 -8.170 6.078 -6.745 264 HA ALA 39 HA ALA 39 -9.065 5.330 -4.121 265 HB1 ALA 39 1HB ALA 39 -10.883 6.644 -6.168 266 HB2 ALA 39 2HB ALA 39 -10.350 7.368 -4.656 267 HB3 ALA 39 3HB ALA 39 -11.389 5.951 -4.626 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -7.794 0.716 -7.467 2 HA2 GLY 1 2HA GLY 1 -9.504 -0.360 -5.405 3 HA3 GLY 1 1HA GLY 1 -8.353 -1.264 -6.384 4 H GLY 2 H GLY 2 -6.726 1.339 -5.265 5 HA2 GLY 2 2HA GLY 2 -5.284 -0.257 -3.341 6 HA3 GLY 2 1HA GLY 2 -4.829 1.323 -3.960 7 H VAL 3 H VAL 3 -7.682 0.118 -2.289 8 HA VAL 3 HA VAL 3 -7.067 1.958 -0.098 9 HB VAL 3 HB VAL 3 -9.891 1.238 -0.978 10 HG11 VAL 3 1HG1 VAL 3 -9.704 1.730 1.388 11 HG12 VAL 3 2HG1 VAL 3 -10.574 3.029 0.567 12 HG13 VAL 3 3HG1 VAL 3 -8.890 3.251 1.026 13 HG21 VAL 3 1HG2 VAL 3 -10.117 3.555 -1.783 14 HG22 VAL 3 2HG2 VAL 3 -8.871 2.681 -2.676 15 HG23 VAL 3 3HG2 VAL 3 -8.412 3.838 -1.428 16 H CYS 4 H CYS 4 -6.164 0.516 1.117 17 HA CYS 4 HA CYS 4 -7.478 -2.068 1.657 18 HB2 CYS 4 2HB CYS 4 -4.657 -1.225 2.245 19 HB3 CYS 4 1HB CYS 4 -5.307 -2.854 2.251 20 HA PRO 5 HA PRO 5 -8.247 -0.871 5.912 21 HB2 PRO 5 2HB PRO 5 -7.670 -3.202 7.236 22 HB3 PRO 5 1HB PRO 5 -9.169 -2.923 6.346 23 HG2 PRO 5 2HG PRO 5 -6.692 -4.363 5.476 24 HG3 PRO 5 1HG PRO 5 -8.389 -4.824 5.250 25 HD2 PRO 5 2HD PRO 5 -6.981 -3.727 3.260 26 HD3 PRO 5 1HD PRO 5 -8.692 -3.328 3.502 27 H LYS 6 H LYS 6 -5.119 -2.151 5.064 28 HA LYS 6 HA LYS 6 -3.856 -1.674 7.598 29 HB2 LYS 6 2HB LYS 6 -2.598 -1.973 4.865 30 HB3 LYS 6 1HB LYS 6 -1.754 -2.062 6.398 31 HG2 LYS 6 2HG LYS 6 -3.914 -3.967 5.545 32 HG3 LYS 6 1HG LYS 6 -2.192 -4.261 5.314 33 HD2 LYS 6 2HD LYS 6 -1.892 -4.165 7.770 34 HD3 LYS 6 1HD LYS 6 -3.627 -3.900 7.950 35 HE2 LYS 6 2HE LYS 6 -4.115 -6.035 6.950 36 HE3 LYS 6 1HE LYS 6 -2.412 -6.308 6.598 37 HZ1 LYS 6 1HZ LYS 6 -3.530 -6.055 9.346 38 HZ2 LYS 6 2HZ LYS 6 -1.958 -6.546 8.920 39 HZ3 LYS 6 3HZ LYS 6 -3.268 -7.500 8.540 40 H ILE 7 H ILE 7 -2.156 -0.040 7.968 41 HA ILE 7 HA ILE 7 -2.944 2.495 6.800 42 HB ILE 7 HB ILE 7 -0.980 2.023 9.084 43 HG12 ILE 7 2HG1 ILE 7 -3.849 2.966 9.167 44 HG13 ILE 7 1HG1 ILE 7 -3.343 1.332 9.563 45 HG21 ILE 7 1HG2 ILE 7 -1.252 4.413 9.522 46 HG22 ILE 7 2HG2 ILE 7 -2.283 4.560 8.100 47 HG23 ILE 7 3HG2 ILE 7 -0.583 4.128 7.914 48 HD11 ILE 7 1HD1 ILE 7 -3.724 2.649 11.566 49 HD12 ILE 7 2HD1 ILE 7 -2.546 3.844 11.019 50 HD13 ILE 7 3HD1 ILE 7 -2.020 2.211 11.430 51 H LEU 8 H LEU 8 0.290 1.090 7.561 52 HA LEU 8 HA LEU 8 1.047 1.584 4.877 53 HB2 LEU 8 2HB LEU 8 3.015 3.021 5.451 54 HB3 LEU 8 1HB LEU 8 1.436 3.764 5.563 55 HG LEU 8 HG LEU 8 1.592 3.498 8.073 56 HD11 LEU 8 1HD1 LEU 8 3.295 1.770 8.201 57 HD12 LEU 8 2HD1 LEU 8 3.792 3.219 9.076 58 HD13 LEU 8 3HD1 LEU 8 4.478 2.870 7.491 59 HD21 LEU 8 1HD2 LEU 8 1.976 5.610 6.963 60 HD22 LEU 8 2HD2 LEU 8 3.668 5.189 6.703 61 HD23 LEU 8 3HD2 LEU 8 3.059 5.430 8.342 62 H GLN 9 H GLN 9 2.883 0.582 4.180 63 HA GLN 9 HA GLN 9 4.661 -0.765 5.960 64 HB2 GLN 9 2HB GLN 9 2.691 -2.357 5.922 65 HB3 GLN 9 1HB GLN 9 2.886 -2.428 4.172 66 HG2 GLN 9 2HG GLN 9 5.168 -3.290 4.509 67 HG3 GLN 9 1HG GLN 9 4.808 -3.408 6.231 68 HE21 GLN 9 1HE2 GLN 9 5.383 -5.379 4.147 69 HE22 GLN 9 2HE2 GLN 9 4.134 -6.538 4.181 70 H ARG 10 H ARG 10 6.482 -1.390 4.831 71 HA ARG 10 HA ARG 10 6.828 -0.353 2.200 72 HB2 ARG 10 2HB ARG 10 9.074 -1.182 2.359 73 HB3 ARG 10 1HB ARG 10 8.653 -0.354 3.843 74 HG2 ARG 10 2HG ARG 10 8.257 -2.579 4.895 75 HG3 ARG 10 1HG ARG 10 8.828 -3.332 3.403 76 HD2 ARG 10 2HD ARG 10 10.652 -3.241 4.955 77 HD3 ARG 10 1HD ARG 10 10.959 -2.080 3.662 78 HE ARG 10 HE ARG 10 9.814 -1.292 6.251 79 HH11 ARG 10 1HH1 ARG 10 12.194 -0.678 3.646 80 HH12 ARG 10 2HH1 ARG 10 12.884 0.649 4.457 81 HH21 ARG 10 1HH2 ARG 10 10.774 0.492 7.294 82 HH22 ARG 10 2HH2 ARG 10 12.060 1.353 6.550 83 H CYS 11 H CYS 11 7.503 -1.669 0.421 84 HA CYS 11 HA CYS 11 6.381 -4.372 0.590 85 HB2 CYS 11 2HB CYS 11 5.669 -4.141 -1.758 86 HB3 CYS 11 1HB CYS 11 4.869 -3.001 -0.687 87 H ARG 12 H ARG 12 7.696 -5.916 0.103 88 HA ARG 12 HA ARG 12 10.163 -5.338 -1.342 89 HB2 ARG 12 2HB ARG 12 10.783 -7.660 -0.820 90 HB3 ARG 12 1HB ARG 12 10.280 -6.798 0.627 91 HG2 ARG 12 2HG ARG 12 7.988 -7.837 0.155 92 HG3 ARG 12 1HG ARG 12 8.882 -8.973 -0.864 93 HD2 ARG 12 2HD ARG 12 8.608 -9.866 1.330 94 HD3 ARG 12 1HD ARG 12 10.316 -9.495 1.076 95 HE ARG 12 HE ARG 12 8.507 -7.648 2.462 96 HH11 ARG 12 1HH1 ARG 12 11.576 -9.457 2.430 97 HH12 ARG 12 2HH1 ARG 12 12.091 -8.929 3.948 98 HH21 ARG 12 1HH2 ARG 12 9.247 -6.901 4.593 99 HH22 ARG 12 2HH2 ARG 12 10.729 -7.428 5.225 100 H ARG 13 H ARG 13 7.091 -6.814 -1.799 101 HA ARG 13 HA ARG 13 7.132 -6.375 -4.555 102 HB2 ARG 13 2HB ARG 13 6.750 -8.656 -5.400 103 HB3 ARG 13 1HB ARG 13 8.354 -8.518 -4.719 104 HG2 ARG 13 2HG ARG 13 7.711 -9.765 -2.786 105 HG3 ARG 13 1HG ARG 13 6.008 -9.693 -3.242 106 HD2 ARG 13 2HD ARG 13 8.174 -11.084 -4.827 107 HD3 ARG 13 1HD ARG 13 7.042 -11.883 -3.737 108 HE ARG 13 HE ARG 13 5.678 -10.354 -5.765 109 HH11 ARG 13 1HH1 ARG 13 7.226 -13.497 -5.200 110 HH12 ARG 13 2HH1 ARG 13 6.368 -14.266 -6.448 111 HH21 ARG 13 1HH2 ARG 13 4.527 -11.377 -7.366 112 HH22 ARG 13 2HH2 ARG 13 4.774 -13.034 -7.750 113 H ASP 14 H ASP 14 5.078 -7.508 -5.483 114 HA ASP 14 HA ASP 14 2.827 -6.381 -4.396 115 HB2 ASP 14 2HB ASP 14 1.524 -7.813 -5.889 116 HB3 ASP 14 1HB ASP 14 2.983 -7.261 -6.701 117 H SER 15 H SER 15 4.005 -9.663 -3.821 118 HA SER 15 HA SER 15 1.701 -10.600 -2.495 119 HB2 SER 15 2HB SER 15 4.488 -11.700 -2.507 120 HB3 SER 15 1HB SER 15 2.988 -12.584 -2.188 121 HG SER 15 HG SER 15 2.770 -11.256 -4.535 122 H ASP 16 H ASP 16 4.174 -8.608 -1.458 123 HA ASP 16 HA ASP 16 4.245 -9.437 1.303 124 HB2 ASP 16 2HB ASP 16 6.141 -8.434 0.034 125 HB3 ASP 16 1HB ASP 16 5.248 -6.931 -0.053 126 H CYS 17 H CYS 17 2.381 -7.493 -0.783 127 HA CYS 17 HA CYS 17 1.174 -5.889 1.341 128 HB2 CYS 17 2HB CYS 17 0.667 -5.841 -1.634 129 HB3 CYS 17 1HB CYS 17 0.268 -4.603 -0.450 130 HA PRO 18 HA PRO 18 -1.829 -9.283 1.112 131 HB2 PRO 18 2HB PRO 18 -3.145 -8.712 3.384 132 HB3 PRO 18 1HB PRO 18 -1.569 -9.513 3.383 133 HG2 PRO 18 2HG PRO 18 -2.234 -6.654 3.918 134 HG3 PRO 18 1HG PRO 18 -1.062 -7.718 4.717 135 HD2 PRO 18 2HD PRO 18 -0.396 -5.864 2.810 136 HD3 PRO 18 1HD PRO 18 0.548 -7.325 3.142 137 H GLY 19 H GLY 19 -3.667 -9.294 0.090 138 HA2 GLY 19 2HA GLY 19 -5.897 -8.633 -0.338 139 HA3 GLY 19 1HA GLY 19 -5.488 -7.033 0.281 140 H ALA 20 H ALA 20 -6.514 -6.291 -1.709 141 HA ALA 20 HA ALA 20 -5.242 -6.803 -4.257 142 HB1 ALA 20 1HB ALA 20 -6.884 -5.158 -5.095 143 HB2 ALA 20 2HB ALA 20 -7.382 -4.830 -3.438 144 HB3 ALA 20 3HB ALA 20 -7.647 -6.426 -4.137 145 H CYS 21 H CYS 21 -3.723 -5.649 -2.120 146 HA CYS 21 HA CYS 21 -3.196 -2.873 -2.810 147 HB2 CYS 21 2HB CYS 21 -1.811 -4.603 -0.789 148 HB3 CYS 21 1HB CYS 21 -1.946 -2.858 -0.763 149 H ILE 22 H ILE 22 -1.440 -2.345 -4.042 150 HA ILE 22 HA ILE 22 0.353 -4.535 -4.818 151 HB ILE 22 HB ILE 22 0.744 -3.219 -6.922 152 HG12 ILE 22 2HG1 ILE 22 -1.606 -1.595 -5.895 153 HG13 ILE 22 1HG1 ILE 22 0.035 -1.011 -6.126 154 HG21 ILE 22 1HG2 ILE 22 -1.366 -3.894 -7.997 155 HG22 ILE 22 2HG2 ILE 22 -2.089 -4.128 -6.405 156 HG23 ILE 22 3HG2 ILE 22 -0.740 -5.142 -6.918 157 HD11 ILE 22 1HD1 ILE 22 -1.414 -0.255 -7.904 158 HD12 ILE 22 2HD1 ILE 22 -1.861 -1.917 -8.276 159 HD13 ILE 22 3HD1 ILE 22 -0.208 -1.372 -8.545 160 H CYS 23 H CYS 23 2.558 -3.792 -5.500 161 HA CYS 23 HA CYS 23 3.613 -2.052 -3.420 162 HB2 CYS 23 2HB CYS 23 4.660 -4.235 -3.722 163 HB3 CYS 23 1HB CYS 23 4.927 -3.897 -5.424 164 H ARG 24 H ARG 24 4.625 -0.086 -3.854 165 HA ARG 24 HA ARG 24 4.741 0.646 -6.675 166 HB2 ARG 24 2HB ARG 24 3.695 2.271 -4.377 167 HB3 ARG 24 1HB ARG 24 4.233 3.032 -5.869 168 HG2 ARG 24 2HG ARG 24 2.142 0.873 -5.768 169 HG3 ARG 24 1HG ARG 24 1.768 2.601 -5.743 170 HD2 ARG 24 2HD ARG 24 2.812 2.912 -7.888 171 HD3 ARG 24 1HD ARG 24 3.406 1.263 -7.896 172 HE ARG 24 HE ARG 24 1.311 0.490 -8.366 173 HH11 ARG 24 1HH1 ARG 24 1.242 4.012 -8.008 174 HH12 ARG 24 2HH1 ARG 24 -0.113 4.229 -9.019 175 HH21 ARG 24 1HH2 ARG 24 -0.551 0.824 -9.810 176 HH22 ARG 24 2HH2 ARG 24 -1.088 2.435 -10.070 177 H GLY 25 H GLY 25 6.128 2.569 -7.135 178 HA2 GLY 25 2HA GLY 25 8.776 1.938 -6.615 179 HA3 GLY 25 1HA GLY 25 8.216 3.435 -7.314 180 H ASN 26 H ASN 26 6.689 3.871 -4.715 181 HA ASN 26 HA ASN 26 8.705 5.393 -3.388 182 HB2 ASN 26 2HB ASN 26 6.941 5.994 -1.776 183 HB3 ASN 26 1HB ASN 26 6.383 6.220 -3.422 184 HD21 ASN 26 1HD2 ASN 26 4.758 5.959 -1.095 185 HD22 ASN 26 2HD2 ASN 26 3.810 4.543 -1.312 186 H GLY 27 H GLY 27 7.764 2.177 -3.240 187 HA2 GLY 27 2HA GLY 27 8.944 0.560 -2.069 188 HA3 GLY 27 1HA GLY 27 9.476 1.795 -0.934 189 H TYR 28 H TYR 28 6.204 1.999 -1.665 190 HA TYR 28 HA TYR 28 5.563 0.593 0.823 191 HB2 TYR 28 2HB TYR 28 4.483 3.202 -0.208 192 HB3 TYR 28 1HB TYR 28 3.665 2.258 1.021 193 HD1 TYR 28 1HD TYR 28 4.551 2.133 3.263 194 HD2 TYR 28 2HD TYR 28 6.546 4.401 0.278 195 HE1 TYR 28 1HE TYR 28 5.846 3.263 5.003 196 HE2 TYR 28 2HE TYR 28 7.856 5.539 2.002 197 HH TYR 28 HH TYR 28 7.698 6.048 4.395 198 H CYS 29 H CYS 29 3.546 -0.290 0.959 199 HA CYS 29 HA CYS 29 2.442 -1.277 -1.505 200 HB2 CYS 29 2HB CYS 29 1.581 -1.589 1.372 201 HB3 CYS 29 1HB CYS 29 0.807 -2.403 0.025 202 H GLY 30 H GLY 30 0.501 -0.692 -2.376 203 HA2 GLY 30 2HA GLY 30 -0.420 1.959 -1.783 204 HA3 GLY 30 1HA GLY 30 -1.039 0.891 -3.032 205 H TYR 31 H TYR 31 -0.958 1.139 0.481 206 HA TYR 31 HA TYR 31 -3.558 -0.083 0.723 207 HB2 TYR 31 2HB TYR 31 -1.966 1.260 2.921 208 HB3 TYR 31 1HB TYR 31 -3.387 0.275 3.121 209 HD1 TYR 31 1HD TYR 31 -2.886 -2.142 1.637 210 HD2 TYR 31 2HD TYR 31 -0.188 0.292 3.814 211 HE1 TYR 31 1HE TYR 31 -1.479 -4.085 2.028 212 HE2 TYR 31 2HE TYR 31 1.233 -1.613 4.216 213 HH TYR 31 HH TYR 31 1.126 -4.108 4.234 214 HA PRO 32 HA PRO 32 -4.928 4.251 1.996 215 HB2 PRO 32 2HB PRO 32 -2.860 6.216 1.813 216 HB3 PRO 32 1HB PRO 32 -3.605 5.557 3.276 217 HG2 PRO 32 2HG PRO 32 -0.994 5.125 2.593 218 HG3 PRO 32 1HG PRO 32 -1.954 3.968 3.535 219 HD2 PRO 32 2HD PRO 32 -1.427 4.011 0.582 220 HD3 PRO 32 1HD PRO 32 -1.241 2.654 1.715 221 H TYR 33 H TYR 33 -5.102 6.645 1.193 222 HA TYR 33 HA TYR 33 -6.071 6.453 -1.448 223 HB2 TYR 33 2HB TYR 33 -5.778 8.864 0.323 224 HB3 TYR 33 1HB TYR 33 -6.720 8.776 -1.155 225 HD1 TYR 33 1HD TYR 33 -8.684 7.146 -1.211 226 HD2 TYR 33 2HD TYR 33 -6.697 8.243 2.383 227 HE1 TYR 33 1HE TYR 33 -10.633 6.430 0.074 228 HE2 TYR 33 2HE TYR 33 -8.633 7.527 3.682 229 HH TYR 33 HH TYR 33 -11.159 5.698 2.368 230 H ASP 34 H ASP 34 -3.049 7.290 -0.247 231 HA ASP 34 HA ASP 34 -2.255 9.325 -1.953 232 HB2 ASP 34 2HB ASP 34 0.070 8.846 -1.437 233 HB3 ASP 34 1HB ASP 34 -0.907 8.735 0.012 234 H VAL 35 H VAL 35 -2.648 6.009 -2.692 235 HA VAL 35 HA VAL 35 -1.293 6.416 -5.224 236 HB VAL 35 HB VAL 35 -0.852 4.229 -4.224 237 HG11 VAL 35 1HG1 VAL 35 -2.574 2.538 -3.847 238 HG12 VAL 35 2HG1 VAL 35 -3.814 3.716 -4.269 239 HG13 VAL 35 3HG1 VAL 35 -2.818 3.962 -2.834 240 HG21 VAL 35 1HG2 VAL 35 -2.678 3.942 -6.601 241 HG22 VAL 35 2HG2 VAL 35 -1.540 2.719 -6.038 242 HG23 VAL 35 3HG2 VAL 35 -0.946 4.266 -6.642 243 HA PRO 36 HA PRO 36 -5.346 7.825 -6.441 244 HB2 PRO 36 2HB PRO 36 -4.575 9.442 -8.439 245 HB3 PRO 36 1HB PRO 36 -4.351 9.862 -6.740 246 HG2 PRO 36 2HG PRO 36 -2.359 8.919 -8.733 247 HG3 PRO 36 1HG PRO 36 -2.145 10.025 -7.370 248 HD2 PRO 36 2HD PRO 36 -1.458 7.301 -7.425 249 HD3 PRO 36 1HD PRO 36 -1.568 8.334 -5.986 250 H ASP 37 H ASP 37 -3.019 6.584 -8.810 251 HA ASP 37 HA ASP 37 -4.937 6.343 -10.902 252 HB2 ASP 37 2HB ASP 37 -3.196 5.225 -12.175 253 HB3 ASP 37 1HB ASP 37 -2.536 6.646 -11.379 254 H TYR 38 H TYR 38 -3.849 4.250 -8.364 255 HA TYR 38 HA TYR 38 -5.498 2.163 -9.553 256 HB2 TYR 38 2HB TYR 38 -3.111 1.577 -8.883 257 HB3 TYR 38 1HB TYR 38 -3.609 1.834 -7.211 258 HD1 TYR 38 1HD TYR 38 -4.455 -0.129 -10.238 259 HD2 TYR 38 2HD TYR 38 -4.547 0.045 -5.998 260 HE1 TYR 38 1HE TYR 38 -5.280 -2.418 -10.178 261 HE2 TYR 38 2HE TYR 38 -5.376 -2.267 -5.921 262 HH TYR 38 HH TYR 38 -5.274 -4.304 -8.552 263 H ALA 39 H ALA 39 -7.456 2.580 -8.994 264 HA ALA 39 HA ALA 39 -8.170 3.963 -6.585 265 HB1 ALA 39 1HB ALA 39 -10.454 3.758 -7.421 266 HB2 ALA 39 2HB ALA 39 -9.877 2.698 -8.709 267 HB3 ALA 39 3HB ALA 39 -9.355 4.381 -8.649 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -10.759 2.163 -3.025 2 HA2 GLY 1 2HA GLY 1 -11.225 0.848 -5.219 3 HA3 GLY 1 1HA GLY 1 -9.710 1.619 -5.692 4 H GLY 2 H GLY 2 -8.017 0.306 -5.453 5 HA2 GLY 2 2HA GLY 2 -8.108 -1.900 -3.582 6 HA3 GLY 2 1HA GLY 2 -6.786 -1.519 -4.681 7 H VAL 3 H VAL 3 -8.409 -0.309 -1.845 8 HA VAL 3 HA VAL 3 -6.070 1.183 -0.962 9 HB VAL 3 HB VAL 3 -8.295 2.246 -0.872 10 HG11 VAL 3 1HG1 VAL 3 -9.718 0.346 -0.535 11 HG12 VAL 3 2HG1 VAL 3 -10.005 1.532 0.740 12 HG13 VAL 3 3HG1 VAL 3 -9.052 0.089 1.077 13 HG21 VAL 3 1HG2 VAL 3 -8.288 3.050 1.451 14 HG22 VAL 3 2HG2 VAL 3 -6.663 2.998 0.765 15 HG23 VAL 3 3HG2 VAL 3 -7.188 1.744 1.887 16 H CYS 4 H CYS 4 -4.848 0.638 0.830 17 HA CYS 4 HA CYS 4 -5.085 -2.092 1.695 18 HB2 CYS 4 2HB CYS 4 -3.110 0.038 2.566 19 HB3 CYS 4 1HB CYS 4 -3.112 -1.610 3.173 20 HA PRO 5 HA PRO 5 -7.850 -1.430 5.158 21 HB2 PRO 5 2HB PRO 5 -6.632 -4.007 6.018 22 HB3 PRO 5 1HB PRO 5 -8.339 -3.586 5.846 23 HG2 PRO 5 2HG PRO 5 -7.190 -5.159 4.051 24 HG3 PRO 5 1HG PRO 5 -8.311 -3.888 3.537 25 HD2 PRO 5 2HD PRO 5 -5.320 -3.919 3.434 26 HD3 PRO 5 1HD PRO 5 -6.502 -3.335 2.236 27 H LYS 6 H LYS 6 -4.607 -2.698 5.559 28 HA LYS 6 HA LYS 6 -4.285 -1.745 8.245 29 HB2 LYS 6 2HB LYS 6 -3.110 -3.748 7.263 30 HB3 LYS 6 1HB LYS 6 -2.191 -2.645 6.255 31 HG2 LYS 6 2HG LYS 6 -0.814 -3.227 8.097 32 HG3 LYS 6 1HG LYS 6 -1.359 -1.568 8.361 33 HD2 LYS 6 2HD LYS 6 -3.135 -2.415 9.849 34 HD3 LYS 6 1HD LYS 6 -2.520 -4.049 9.614 35 HE2 LYS 6 2HE LYS 6 -1.057 -1.735 10.859 36 HE3 LYS 6 1HE LYS 6 -1.735 -3.119 11.709 37 HZ1 LYS 6 1HZ LYS 6 -0.151 -4.543 10.499 38 HZ2 LYS 6 2HZ LYS 6 0.607 -3.371 11.428 39 HZ3 LYS 6 3HZ LYS 6 0.520 -3.174 9.770 40 H ILE 7 H ILE 7 -3.382 0.235 8.786 41 HA ILE 7 HA ILE 7 -2.931 2.043 6.577 42 HB ILE 7 HB ILE 7 -2.811 3.825 8.221 43 HG12 ILE 7 2HG1 ILE 7 -3.229 1.699 10.332 44 HG13 ILE 7 1HG1 ILE 7 -1.717 2.551 10.047 45 HG21 ILE 7 1HG2 ILE 7 -5.121 3.671 9.122 46 HG22 ILE 7 2HG2 ILE 7 -5.151 1.966 8.672 47 HG23 ILE 7 3HG2 ILE 7 -5.008 3.206 7.426 48 HD11 ILE 7 1HD1 ILE 7 -2.806 4.654 10.677 49 HD12 ILE 7 2HD1 ILE 7 -2.886 3.456 11.967 50 HD13 ILE 7 3HD1 ILE 7 -4.306 3.777 10.973 51 H LEU 8 H LEU 8 -1.061 3.163 6.237 52 HA LEU 8 HA LEU 8 1.149 3.286 5.813 53 HB2 LEU 8 2HB LEU 8 1.010 4.305 8.074 54 HB3 LEU 8 1HB LEU 8 1.353 2.743 8.779 55 HG LEU 8 HG LEU 8 3.580 2.795 7.654 56 HD11 LEU 8 1HD1 LEU 8 3.050 4.345 5.859 57 HD12 LEU 8 2HD1 LEU 8 4.404 4.941 6.824 58 HD13 LEU 8 3HD1 LEU 8 2.799 5.632 7.039 59 HD21 LEU 8 1HD2 LEU 8 4.559 4.399 9.217 60 HD22 LEU 8 2HD2 LEU 8 3.322 3.411 9.994 61 HD23 LEU 8 3HD2 LEU 8 2.961 5.075 9.528 62 H GLN 9 H GLN 9 1.174 1.296 4.463 63 HA GLN 9 HA GLN 9 2.617 -0.849 5.823 64 HB2 GLN 9 2HB GLN 9 0.259 -1.475 5.338 65 HB3 GLN 9 1HB GLN 9 0.544 -1.160 3.634 66 HG2 GLN 9 2HG GLN 9 0.629 -3.538 4.094 67 HG3 GLN 9 1HG GLN 9 2.211 -2.947 3.583 68 HE21 GLN 9 1HE2 GLN 9 0.353 -4.266 6.222 69 HE22 GLN 9 2HE2 GLN 9 1.684 -4.528 7.265 70 H ARG 10 H ARG 10 4.486 -1.415 4.898 71 HA ARG 10 HA ARG 10 5.181 -0.136 2.388 72 HB2 ARG 10 2HB ARG 10 6.906 -1.396 4.519 73 HB3 ARG 10 1HB ARG 10 7.540 -0.836 2.980 74 HG2 ARG 10 2HG ARG 10 6.877 1.424 3.473 75 HG3 ARG 10 1HG ARG 10 6.096 0.908 4.964 76 HD2 ARG 10 2HD ARG 10 9.034 0.653 4.342 77 HD3 ARG 10 1HD ARG 10 8.321 1.906 5.357 78 HE ARG 10 HE ARG 10 7.504 -0.115 6.705 79 HH11 ARG 10 1HH1 ARG 10 10.657 0.110 5.069 80 HH12 ARG 10 2HH1 ARG 10 11.435 -0.980 6.106 81 HH21 ARG 10 1HH2 ARG 10 8.603 -1.603 8.172 82 HH22 ARG 10 2HH2 ARG 10 10.237 -1.968 7.893 83 H CYS 11 H CYS 11 6.739 -1.565 0.944 84 HA CYS 11 HA CYS 11 5.728 -4.314 0.985 85 HB2 CYS 11 2HB CYS 11 5.546 -4.241 -1.473 86 HB3 CYS 11 1HB CYS 11 4.427 -3.147 -0.668 87 H ARG 12 H ARG 12 7.245 -5.795 0.804 88 HA ARG 12 HA ARG 12 9.958 -5.132 0.054 89 HB2 ARG 12 2HB ARG 12 8.592 -7.823 0.311 90 HB3 ARG 12 1HB ARG 12 10.316 -7.576 0.139 91 HG2 ARG 12 2HG ARG 12 10.403 -6.515 2.313 92 HG3 ARG 12 1HG ARG 12 8.648 -6.680 2.479 93 HD2 ARG 12 2HD ARG 12 8.835 -9.066 2.287 94 HD3 ARG 12 1HD ARG 12 10.581 -8.946 2.093 95 HE ARG 12 HE ARG 12 9.630 -7.755 4.504 96 HH11 ARG 12 1HH1 ARG 12 10.606 -10.829 3.057 97 HH12 ARG 12 2HH1 ARG 12 11.037 -11.569 4.520 98 HH21 ARG 12 1HH2 ARG 12 10.151 -8.800 6.575 99 HH22 ARG 12 2HH2 ARG 12 10.733 -10.388 6.575 100 H ARG 13 H ARG 13 7.163 -6.715 -1.255 101 HA ARG 13 HA ARG 13 7.806 -5.989 -3.946 102 HB2 ARG 13 2HB ARG 13 7.556 -8.293 -4.850 103 HB3 ARG 13 1HB ARG 13 9.014 -8.088 -3.908 104 HG2 ARG 13 2HG ARG 13 7.901 -9.210 -2.010 105 HG3 ARG 13 1HG ARG 13 6.471 -9.446 -3.020 106 HD2 ARG 13 2HD ARG 13 7.821 -10.737 -4.608 107 HD3 ARG 13 1HD ARG 13 9.234 -10.495 -3.591 108 HE ARG 13 HE ARG 13 7.130 -11.679 -2.120 109 HH11 ARG 13 1HH1 ARG 13 9.558 -12.474 -4.565 110 HH12 ARG 13 2HH1 ARG 13 9.705 -14.101 -4.086 111 HH21 ARG 13 1HH2 ARG 13 7.323 -13.886 -1.461 112 HH22 ARG 13 2HH2 ARG 13 8.419 -14.912 -2.258 113 H ASP 14 H ASP 14 5.920 -7.247 -5.340 114 HA ASP 14 HA ASP 14 3.557 -5.963 -4.387 115 HB2 ASP 14 2HB ASP 14 3.992 -7.768 -6.762 116 HB3 ASP 14 1HB ASP 14 2.427 -7.064 -6.376 117 H SER 15 H SER 15 4.441 -9.329 -4.708 118 HA SER 15 HA SER 15 2.042 -10.463 -3.764 119 HB2 SER 15 2HB SER 15 3.832 -11.655 -5.036 120 HB3 SER 15 1HB SER 15 4.863 -11.564 -3.614 121 HG SER 15 HG SER 15 3.982 -13.422 -3.223 122 H ASP 16 H ASP 16 4.361 -8.672 -2.177 123 HA ASP 16 HA ASP 16 4.139 -9.954 0.406 124 HB2 ASP 16 2HB ASP 16 6.315 -9.168 -0.268 125 HB3 ASP 16 1HB ASP 16 5.678 -7.564 -0.587 126 H CYS 17 H CYS 17 2.467 -7.591 -1.362 127 HA CYS 17 HA CYS 17 1.552 -6.201 1.008 128 HB2 CYS 17 2HB CYS 17 0.814 -5.866 -1.906 129 HB3 CYS 17 1HB CYS 17 0.113 -4.928 -0.596 130 HA PRO 18 HA PRO 18 -1.781 -9.122 1.399 131 HB2 PRO 18 2HB PRO 18 -2.927 -8.064 3.588 132 HB3 PRO 18 1HB PRO 18 -1.391 -8.934 3.671 133 HG2 PRO 18 2HG PRO 18 -1.899 -5.987 3.647 134 HG3 PRO 18 1HG PRO 18 -0.746 -6.915 4.620 135 HD2 PRO 18 2HD PRO 18 -0.062 -5.534 2.360 136 HD3 PRO 18 1HD PRO 18 0.813 -6.961 2.954 137 H GLY 19 H GLY 19 -3.949 -9.188 0.907 138 HA2 GLY 19 2HA GLY 19 -6.047 -8.462 0.283 139 HA3 GLY 19 1HA GLY 19 -5.602 -6.845 0.824 140 H ALA 20 H ALA 20 -6.581 -5.971 -1.036 141 HA ALA 20 HA ALA 20 -5.686 -6.737 -3.674 142 HB1 ALA 20 1HB ALA 20 -7.468 -4.494 -2.733 143 HB2 ALA 20 2HB ALA 20 -7.996 -6.087 -3.285 144 HB3 ALA 20 3HB ALA 20 -7.217 -4.972 -4.410 145 H CYS 21 H CYS 21 -3.773 -5.667 -1.795 146 HA CYS 21 HA CYS 21 -3.125 -3.005 -2.762 147 HB2 CYS 21 2HB CYS 21 -1.930 -4.711 -0.610 148 HB3 CYS 21 1HB CYS 21 -1.342 -3.104 -1.040 149 H ILE 22 H ILE 22 -1.485 -2.563 -4.110 150 HA ILE 22 HA ILE 22 0.357 -4.747 -4.793 151 HB ILE 22 HB ILE 22 0.807 -3.551 -6.925 152 HG12 ILE 22 2HG1 ILE 22 -1.509 -1.764 -6.128 153 HG13 ILE 22 1HG1 ILE 22 0.179 -1.271 -6.161 154 HG21 ILE 22 1HG2 ILE 22 -2.088 -4.258 -6.481 155 HG22 ILE 22 2HG2 ILE 22 -0.790 -5.364 -6.929 156 HG23 ILE 22 3HG2 ILE 22 -1.309 -4.109 -8.057 157 HD11 ILE 22 1HD1 ILE 22 -1.020 -0.465 -8.112 158 HD12 ILE 22 2HD1 ILE 22 -1.474 -2.116 -8.534 159 HD13 ILE 22 3HD1 ILE 22 0.219 -1.628 -8.583 160 H CYS 23 H CYS 23 2.558 -3.850 -5.491 161 HA CYS 23 HA CYS 23 3.440 -2.105 -3.336 162 HB2 CYS 23 2HB CYS 23 4.574 -4.247 -3.603 163 HB3 CYS 23 1HB CYS 23 4.952 -3.877 -5.273 164 H ARG 24 H ARG 24 4.117 -0.076 -3.661 165 HA ARG 24 HA ARG 24 3.997 0.976 -6.376 166 HB2 ARG 24 2HB ARG 24 4.261 2.476 -3.759 167 HB3 ARG 24 1HB ARG 24 3.896 3.173 -5.322 168 HG2 ARG 24 2HG ARG 24 2.113 1.394 -3.659 169 HG3 ARG 24 1HG ARG 24 1.901 3.111 -3.981 170 HD2 ARG 24 2HD ARG 24 1.713 0.855 -5.985 171 HD3 ARG 24 1HD ARG 24 0.377 1.800 -5.334 172 HE ARG 24 HE ARG 24 2.433 3.285 -6.722 173 HH11 ARG 24 1HH1 ARG 24 -0.810 1.817 -6.953 174 HH12 ARG 24 2HH1 ARG 24 -1.190 2.632 -8.395 175 HH21 ARG 24 1HH2 ARG 24 1.876 4.344 -8.705 176 HH22 ARG 24 2HH2 ARG 24 0.346 4.063 -9.411 177 H GLY 25 H GLY 25 5.694 2.569 -6.960 178 HA2 GLY 25 2HA GLY 25 8.210 1.342 -6.924 179 HA3 GLY 25 1HA GLY 25 7.868 2.956 -7.516 180 H ASN 26 H ASN 26 6.916 3.747 -4.801 181 HA ASN 26 HA ASN 26 9.434 4.669 -3.818 182 HB2 ASN 26 2HB ASN 26 8.206 5.868 -2.118 183 HB3 ASN 26 1HB ASN 26 7.365 6.040 -3.651 184 HD21 ASN 26 1HD2 ASN 26 6.385 6.354 -0.928 185 HD22 ASN 26 2HD2 ASN 26 5.058 5.260 -0.790 186 H GLY 27 H GLY 27 7.694 1.823 -3.280 187 HA2 GLY 27 2HA GLY 27 8.723 0.045 -2.085 188 HA3 GLY 27 1HA GLY 27 9.458 1.230 -1.010 189 H TYR 28 H TYR 28 6.261 1.951 -1.695 190 HA TYR 28 HA TYR 28 5.442 0.727 0.804 191 HB2 TYR 28 2HB TYR 28 4.677 3.325 -0.474 192 HB3 TYR 28 1HB TYR 28 3.578 2.536 0.647 193 HD1 TYR 28 1HD TYR 28 3.664 3.223 2.809 194 HD2 TYR 28 2HD TYR 28 7.210 3.477 0.485 195 HE1 TYR 28 1HE TYR 28 4.825 4.235 4.705 196 HE2 TYR 28 2HE TYR 28 8.387 4.492 2.382 197 HH TYR 28 HH TYR 28 7.084 4.512 5.519 198 H CYS 29 H CYS 29 3.218 0.009 0.887 199 HA CYS 29 HA CYS 29 2.422 -1.268 -1.548 200 HB2 CYS 29 2HB CYS 29 1.284 -1.107 1.227 201 HB3 CYS 29 1HB CYS 29 0.378 -1.905 -0.030 202 H GLY 30 H GLY 30 0.067 -1.020 -2.202 203 HA2 GLY 30 2HA GLY 30 -0.646 1.449 -3.108 204 HA3 GLY 30 1HA GLY 30 -1.828 0.205 -2.716 205 H TYR 31 H TYR 31 -2.131 3.033 -2.466 206 HA TYR 31 HA TYR 31 -1.609 4.139 -0.055 207 HB2 TYR 31 2HB TYR 31 -3.993 4.600 -1.825 208 HB3 TYR 31 1HB TYR 31 -3.538 5.643 -0.485 209 HD1 TYR 31 1HD TYR 31 -3.031 4.924 -3.954 210 HD2 TYR 31 2HD TYR 31 -1.216 6.685 -0.545 211 HE1 TYR 31 1HE TYR 31 -1.486 6.151 -5.414 212 HE2 TYR 31 2HE TYR 31 0.316 7.923 -1.998 213 HH TYR 31 HH TYR 31 1.278 7.567 -4.350 214 HA PRO 32 HA PRO 32 -4.166 1.634 2.622 215 HB2 PRO 32 2HB PRO 32 -2.989 3.180 4.782 216 HB3 PRO 32 1HB PRO 32 -2.811 1.460 4.417 217 HG2 PRO 32 2HG PRO 32 -0.777 3.171 4.117 218 HG3 PRO 32 1HG PRO 32 -1.024 1.817 3.004 219 HD2 PRO 32 2HD PRO 32 -1.801 4.692 2.653 220 HD3 PRO 32 1HD PRO 32 -0.945 3.580 1.543 221 H TYR 33 H TYR 33 -5.463 1.982 4.507 222 HA TYR 33 HA TYR 33 -7.652 3.583 4.001 223 HB2 TYR 33 2HB TYR 33 -7.489 1.443 5.285 224 HB3 TYR 33 1HB TYR 33 -6.844 2.352 6.628 225 HD1 TYR 33 1HD TYR 33 -8.279 3.719 8.007 226 HD2 TYR 33 2HD TYR 33 -9.853 1.640 4.658 227 HE1 TYR 33 1HE TYR 33 -10.534 4.086 8.856 228 HE2 TYR 33 2HE TYR 33 -12.132 2.004 5.491 229 HH TYR 33 HH TYR 33 -12.864 4.193 7.915 230 H ASP 34 H ASP 34 -4.730 4.423 5.631 231 HA ASP 34 HA ASP 34 -5.885 6.498 7.230 232 HB2 ASP 34 2HB ASP 34 -3.616 7.226 7.767 233 HB3 ASP 34 1HB ASP 34 -3.773 5.494 7.973 234 H VAL 35 H VAL 35 -5.078 6.246 3.966 235 HA VAL 35 HA VAL 35 -5.536 9.093 3.801 236 HB VAL 35 HB VAL 35 -3.309 8.634 2.949 237 HG11 VAL 35 1HG1 VAL 35 -3.463 6.334 2.338 238 HG12 VAL 35 2HG1 VAL 35 -2.871 7.276 0.966 239 HG13 VAL 35 3HG1 VAL 35 -4.551 6.731 1.009 240 HG21 VAL 35 1HG2 VAL 35 -4.498 10.404 1.850 241 HG22 VAL 35 2HG2 VAL 35 -5.178 9.264 0.689 242 HG23 VAL 35 3HG2 VAL 35 -3.441 9.579 0.706 243 HA PRO 36 HA PRO 36 -9.350 7.004 2.640 244 HB2 PRO 36 2HB PRO 36 -10.983 9.097 3.217 245 HB3 PRO 36 1HB PRO 36 -10.371 7.951 4.411 246 HG2 PRO 36 2HG PRO 36 -9.420 10.691 3.758 247 HG3 PRO 36 1HG PRO 36 -9.567 9.892 5.331 248 HD2 PRO 36 2HD PRO 36 -7.228 10.186 4.013 249 HD3 PRO 36 1HD PRO 36 -7.548 8.833 5.117 250 H ASP 37 H ASP 37 -7.957 9.685 1.072 251 HA ASP 37 HA ASP 37 -10.173 10.065 -0.727 252 HB2 ASP 37 2HB ASP 37 -8.695 11.537 -2.038 253 HB3 ASP 37 1HB ASP 37 -8.747 11.989 -0.341 254 H TYR 38 H TYR 38 -7.929 7.683 -0.462 255 HA TYR 38 HA TYR 38 -7.939 7.129 -3.318 256 HB2 TYR 38 2HB TYR 38 -5.808 6.928 -2.054 257 HB3 TYR 38 1HB TYR 38 -6.545 5.679 -1.062 258 HD1 TYR 38 1HD TYR 38 -6.341 3.440 -1.709 259 HD2 TYR 38 2HD TYR 38 -5.730 6.491 -4.607 260 HE1 TYR 38 1HE TYR 38 -5.562 1.759 -3.300 261 HE2 TYR 38 2HE TYR 38 -4.956 4.818 -6.214 262 HH TYR 38 HH TYR 38 -5.351 1.490 -5.762 263 H ALA 39 H ALA 39 -9.579 6.004 -4.063 264 HA ALA 39 HA ALA 39 -10.857 4.066 -2.319 265 HB1 ALA 39 1HB ALA 39 -12.940 4.549 -3.539 266 HB2 ALA 39 2HB ALA 39 -12.096 5.804 -4.451 267 HB3 ALA 39 3HB ALA 39 -12.321 5.981 -2.716 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -11.692 5.262 -1.237 2 HA2 GLY 1 2HA GLY 1 -12.574 4.660 -3.408 3 HA3 GLY 1 1HA GLY 1 -11.005 5.095 -4.090 4 H GLY 2 H GLY 2 -9.912 3.406 -4.672 5 HA2 GLY 2 2HA GLY 2 -10.268 0.851 -3.409 6 HA3 GLY 2 1HA GLY 2 -9.202 1.223 -4.771 7 H VAL 3 H VAL 3 -9.607 1.519 -1.346 8 HA VAL 3 HA VAL 3 -6.912 2.432 -0.927 9 HB VAL 3 HB VAL 3 -7.596 2.501 1.417 10 HG11 VAL 3 1HG1 VAL 3 -9.652 3.719 -0.423 11 HG12 VAL 3 2HG1 VAL 3 -8.100 4.431 -0.012 12 HG13 VAL 3 3HG1 VAL 3 -9.332 4.239 1.229 13 HG21 VAL 3 1HG2 VAL 3 -9.075 0.561 1.462 14 HG22 VAL 3 2HG2 VAL 3 -10.242 1.408 0.451 15 HG23 VAL 3 3HG2 VAL 3 -9.915 1.980 2.082 16 H CYS 4 H CYS 4 -5.405 1.271 0.260 17 HA CYS 4 HA CYS 4 -5.710 -1.587 0.296 18 HB2 CYS 4 2HB CYS 4 -3.456 -0.605 -0.062 19 HB3 CYS 4 1HB CYS 4 -3.513 0.198 1.490 20 HA PRO 5 HA PRO 5 -8.209 -1.210 3.942 21 HB2 PRO 5 2HB PRO 5 -8.239 -3.843 4.679 22 HB3 PRO 5 1HB PRO 5 -9.234 -3.178 3.381 23 HG2 PRO 5 2HG PRO 5 -6.627 -4.640 3.205 24 HG3 PRO 5 1HG PRO 5 -8.079 -4.817 2.203 25 HD2 PRO 5 2HD PRO 5 -5.943 -3.433 1.361 26 HD3 PRO 5 1HD PRO 5 -7.596 -2.929 0.951 27 H LYS 6 H LYS 6 -5.017 -2.260 3.948 28 HA LYS 6 HA LYS 6 -4.861 -2.522 6.830 29 HB2 LYS 6 2HB LYS 6 -2.727 -2.784 4.701 30 HB3 LYS 6 1HB LYS 6 -2.500 -3.139 6.404 31 HG2 LYS 6 2HG LYS 6 -4.231 -4.903 6.220 32 HG3 LYS 6 1HG LYS 6 -4.312 -4.591 4.487 33 HD2 LYS 6 2HD LYS 6 -1.908 -5.140 4.314 34 HD3 LYS 6 1HD LYS 6 -1.897 -5.524 6.036 35 HE2 LYS 6 2HE LYS 6 -3.531 -6.905 3.905 36 HE3 LYS 6 1HE LYS 6 -2.098 -7.548 4.701 37 HZ1 LYS 6 1HZ LYS 6 -4.696 -6.938 6.006 38 HZ2 LYS 6 2HZ LYS 6 -3.338 -7.526 6.810 39 HZ3 LYS 6 3HZ LYS 6 -4.103 -8.462 5.640 40 H ILE 7 H ILE 7 -2.348 -1.462 7.229 41 HA ILE 7 HA ILE 7 -2.873 1.397 6.988 42 HB ILE 7 HB ILE 7 -1.084 1.659 8.665 43 HG12 ILE 7 2HG1 ILE 7 -1.006 -1.369 8.672 44 HG13 ILE 7 1HG1 ILE 7 0.267 -0.318 8.065 45 HG21 ILE 7 1HG2 ILE 7 -3.239 -0.308 9.432 46 HG22 ILE 7 2HG2 ILE 7 -3.360 1.454 9.445 47 HG23 ILE 7 3HG2 ILE 7 -2.280 0.633 10.572 48 HD11 ILE 7 1HD1 ILE 7 -0.661 -0.538 10.923 49 HD12 ILE 7 2HD1 ILE 7 0.588 0.558 10.335 50 HD13 ILE 7 3HD1 ILE 7 0.837 -1.188 10.252 51 H LEU 8 H LEU 8 -0.688 2.659 6.770 52 HA LEU 8 HA LEU 8 0.453 2.051 4.290 53 HB2 LEU 8 2HB LEU 8 0.407 4.335 5.200 54 HB3 LEU 8 1HB LEU 8 1.552 3.874 6.436 55 HG LEU 8 HG LEU 8 3.256 3.467 4.696 56 HD11 LEU 8 1HD1 LEU 8 1.174 4.558 2.811 57 HD12 LEU 8 2HD1 LEU 8 1.809 2.912 2.831 58 HD13 LEU 8 3HD1 LEU 8 2.867 4.259 2.420 59 HD21 LEU 8 1HD2 LEU 8 1.989 6.202 4.614 60 HD22 LEU 8 2HD2 LEU 8 3.644 5.813 4.138 61 HD23 LEU 8 3HD2 LEU 8 3.142 5.621 5.817 62 H GLN 9 H GLN 9 1.165 0.087 4.211 63 HA GLN 9 HA GLN 9 3.325 -0.898 5.874 64 HB2 GLN 9 2HB GLN 9 1.379 -2.325 5.350 65 HB3 GLN 9 1HB GLN 9 1.698 -2.134 3.637 66 HG2 GLN 9 2HG GLN 9 3.898 -3.263 4.015 67 HG3 GLN 9 1HG GLN 9 3.372 -3.600 5.659 68 HE21 GLN 9 1HE2 GLN 9 4.026 -5.372 3.472 69 HE22 GLN 9 2HE2 GLN 9 2.681 -6.397 3.196 70 H ARG 10 H ARG 10 5.391 -1.299 5.005 71 HA ARG 10 HA ARG 10 6.000 -0.034 2.497 72 HB2 ARG 10 2HB ARG 10 7.605 0.230 4.276 73 HB3 ARG 10 1HB ARG 10 7.752 -1.524 4.482 74 HG2 ARG 10 2HG ARG 10 8.805 -1.648 2.286 75 HG3 ARG 10 1HG ARG 10 8.611 0.087 2.090 76 HD2 ARG 10 2HD ARG 10 10.107 0.472 3.970 77 HD3 ARG 10 1HD ARG 10 10.267 -1.272 4.209 78 HE ARG 10 HE ARG 10 10.912 -0.843 1.596 79 HH11 ARG 10 1HH1 ARG 10 12.232 0.241 4.677 80 HH12 ARG 10 2HH1 ARG 10 13.817 0.438 4.110 81 HH21 ARG 10 1HH2 ARG 10 13.106 -0.646 0.803 82 HH22 ARG 10 2HH2 ARG 10 14.327 -0.098 1.840 83 H CYS 11 H CYS 11 7.184 -1.400 0.819 84 HA CYS 11 HA CYS 11 6.052 -4.115 0.934 85 HB2 CYS 11 2HB CYS 11 5.615 -4.096 -1.470 86 HB3 CYS 11 1HB CYS 11 4.729 -2.824 -0.648 87 H ARG 12 H ARG 12 7.312 -5.684 0.684 88 HA ARG 12 HA ARG 12 10.074 -5.385 -0.169 89 HB2 ARG 12 2HB ARG 12 9.593 -6.911 1.632 90 HB3 ARG 12 1HB ARG 12 8.345 -7.706 0.696 91 HG2 ARG 12 2HG ARG 12 10.104 -8.586 -0.810 92 HG3 ARG 12 1HG ARG 12 11.319 -7.853 0.244 93 HD2 ARG 12 2HD ARG 12 9.226 -9.790 1.174 94 HD3 ARG 12 1HD ARG 12 10.856 -10.285 0.708 95 HE ARG 12 HE ARG 12 11.575 -8.651 2.496 96 HH11 ARG 12 1HH1 ARG 12 8.520 -10.443 2.807 97 HH12 ARG 12 2HH1 ARG 12 8.563 -10.484 4.500 98 HH21 ARG 12 1HH2 ARG 12 11.650 -8.769 4.840 99 HH22 ARG 12 2HH2 ARG 12 10.396 -9.537 5.679 100 H ARG 13 H ARG 13 7.067 -6.741 -1.265 101 HA ARG 13 HA ARG 13 7.712 -6.494 -4.017 102 HB2 ARG 13 2HB ARG 13 7.293 -8.901 -4.552 103 HB3 ARG 13 1HB ARG 13 8.788 -8.635 -3.705 104 HG2 ARG 13 2HG ARG 13 7.785 -9.390 -1.621 105 HG3 ARG 13 1HG ARG 13 6.233 -9.605 -2.432 106 HD2 ARG 13 2HD ARG 13 7.193 -11.318 -3.846 107 HD3 ARG 13 1HD ARG 13 8.782 -11.078 -3.112 108 HE ARG 13 HE ARG 13 7.276 -11.658 -0.980 109 HH11 ARG 13 1HH1 ARG 13 7.459 -13.331 -4.112 110 HH12 ARG 13 2HH1 ARG 13 7.151 -14.857 -3.437 111 HH21 ARG 13 1HH2 ARG 13 6.875 -13.723 -0.091 112 HH22 ARG 13 2HH2 ARG 13 6.771 -15.093 -1.110 113 H ASP 14 H ASP 14 5.658 -7.852 -5.136 114 HA ASP 14 HA ASP 14 3.415 -6.348 -4.119 115 HB2 ASP 14 2HB ASP 14 3.712 -8.177 -6.491 116 HB3 ASP 14 1HB ASP 14 2.143 -7.558 -5.997 117 H SER 15 H SER 15 4.323 -9.710 -4.328 118 HA SER 15 HA SER 15 2.026 -10.878 -3.243 119 HB2 SER 15 2HB SER 15 4.869 -11.820 -2.928 120 HB3 SER 15 1HB SER 15 3.403 -12.800 -3.019 121 HG SER 15 HG SER 15 3.133 -12.029 -5.164 122 H ASP 16 H ASP 16 4.290 -8.857 -1.875 123 HA ASP 16 HA ASP 16 4.243 -9.894 0.833 124 HB2 ASP 16 2HB ASP 16 6.338 -9.095 -0.041 125 HB3 ASP 16 1HB ASP 16 5.615 -7.567 -0.502 126 H CYS 17 H CYS 17 2.437 -7.743 -1.108 127 HA CYS 17 HA CYS 17 1.327 -6.389 1.254 128 HB2 CYS 17 2HB CYS 17 0.948 -5.682 -1.676 129 HB3 CYS 17 1HB CYS 17 0.394 -4.751 -0.297 130 HA PRO 18 HA PRO 18 -1.865 -9.514 0.192 131 HB2 PRO 18 2HB PRO 18 -2.741 -9.104 2.951 132 HB3 PRO 18 1HB PRO 18 -2.168 -10.587 2.179 133 HG2 PRO 18 2HG PRO 18 -0.700 -9.313 4.031 134 HG3 PRO 18 1HG PRO 18 0.050 -10.119 2.639 135 HD2 PRO 18 2HD PRO 18 -0.560 -7.202 3.026 136 HD3 PRO 18 1HD PRO 18 0.937 -7.979 2.449 137 H GLY 19 H GLY 19 -3.937 -9.249 -0.418 138 HA2 GLY 19 2HA GLY 19 -6.122 -8.342 -0.266 139 HA3 GLY 19 1HA GLY 19 -5.424 -6.926 0.523 140 H ALA 20 H ALA 20 -6.625 -5.688 -1.054 141 HA ALA 20 HA ALA 20 -6.045 -5.772 -3.864 142 HB1 ALA 20 1HB ALA 20 -7.311 -3.649 -3.952 143 HB2 ALA 20 2HB ALA 20 -7.247 -3.537 -2.205 144 HB3 ALA 20 3HB ALA 20 -8.150 -4.844 -2.966 145 H CYS 21 H CYS 21 -3.888 -5.355 -1.814 146 HA CYS 21 HA CYS 21 -2.882 -2.676 -2.337 147 HB2 CYS 21 2HB CYS 21 -1.743 -4.813 -0.542 148 HB3 CYS 21 1HB CYS 21 -1.460 -3.069 -0.465 149 H ILE 22 H ILE 22 -1.280 -2.355 -3.820 150 HA ILE 22 HA ILE 22 0.301 -4.689 -4.685 151 HB ILE 22 HB ILE 22 0.770 -3.472 -6.771 152 HG12 ILE 22 2HG1 ILE 22 -1.100 -1.326 -5.716 153 HG13 ILE 22 1HG1 ILE 22 0.643 -1.172 -5.846 154 HG21 ILE 22 1HG2 ILE 22 -1.156 -4.935 -6.756 155 HG22 ILE 22 2HG2 ILE 22 -1.469 -3.537 -7.786 156 HG23 ILE 22 3HG2 ILE 22 -2.180 -3.622 -6.175 157 HD11 ILE 22 1HD1 ILE 22 0.463 -1.381 -8.283 158 HD12 ILE 22 2HD1 ILE 22 -0.469 -0.021 -7.659 159 HD13 ILE 22 3HD1 ILE 22 -1.290 -1.510 -8.127 160 H CYS 23 H CYS 23 2.574 -3.982 -5.383 161 HA CYS 23 HA CYS 23 3.663 -2.263 -3.283 162 HB2 CYS 23 2HB CYS 23 4.740 -4.448 -3.688 163 HB3 CYS 23 1HB CYS 23 5.024 -4.010 -5.362 164 H ARG 24 H ARG 24 4.410 -0.225 -3.674 165 HA ARG 24 HA ARG 24 4.082 0.748 -6.414 166 HB2 ARG 24 2HB ARG 24 3.961 2.185 -3.770 167 HB3 ARG 24 1HB ARG 24 3.858 2.974 -5.331 168 HG2 ARG 24 2HG ARG 24 1.923 0.892 -4.338 169 HG3 ARG 24 1HG ARG 24 1.663 2.630 -4.234 170 HD2 ARG 24 2HD ARG 24 2.029 1.047 -6.776 171 HD3 ARG 24 1HD ARG 24 0.504 1.653 -6.150 172 HE ARG 24 HE ARG 24 2.726 3.415 -6.948 173 HH11 ARG 24 1HH1 ARG 24 -0.775 2.707 -6.886 174 HH12 ARG 24 2HH1 ARG 24 -1.185 4.048 -7.849 175 HH21 ARG 24 1HH2 ARG 24 2.133 5.237 -8.238 176 HH22 ARG 24 2HH2 ARG 24 0.490 5.507 -8.647 177 H GLY 25 H GLY 25 5.468 2.583 -6.999 178 HA2 GLY 25 2HA GLY 25 8.177 1.860 -7.002 179 HA3 GLY 25 1HA GLY 25 7.514 3.372 -7.591 180 H ASN 26 H ASN 26 6.446 3.793 -4.765 181 HA ASN 26 HA ASN 26 8.731 5.255 -3.823 182 HB2 ASN 26 2HB ASN 26 7.286 6.130 -2.088 183 HB3 ASN 26 1HB ASN 26 6.408 6.144 -3.608 184 HD21 ASN 26 1HD2 ASN 26 5.371 6.221 -0.935 185 HD22 ASN 26 2HD2 ASN 26 4.326 4.861 -0.781 186 H GLY 27 H GLY 27 7.573 2.118 -3.395 187 HA2 GLY 27 2HA GLY 27 8.968 0.507 -2.352 188 HA3 GLY 27 1HA GLY 27 9.511 1.752 -1.234 189 H TYR 28 H TYR 28 6.253 2.112 -1.596 190 HA TYR 28 HA TYR 28 5.761 0.410 0.718 191 HB2 TYR 28 2HB TYR 28 4.565 3.111 0.052 192 HB3 TYR 28 1HB TYR 28 3.969 2.067 1.332 193 HD1 TYR 28 1HD TYR 28 6.790 4.180 0.251 194 HD2 TYR 28 2HD TYR 28 5.111 1.925 3.436 195 HE1 TYR 28 1HE TYR 28 8.381 5.200 1.797 196 HE2 TYR 28 2HE TYR 28 6.702 2.939 5.002 197 HH TYR 28 HH TYR 28 8.944 4.021 4.899 198 H CYS 29 H CYS 29 3.342 -0.057 0.905 199 HA CYS 29 HA CYS 29 2.590 -1.231 -1.596 200 HB2 CYS 29 2HB CYS 29 1.123 -1.192 1.059 201 HB3 CYS 29 1HB CYS 29 0.680 -2.168 -0.334 202 H GLY 30 H GLY 30 0.181 -1.039 -2.157 203 HA2 GLY 30 2HA GLY 30 -0.503 1.434 -3.147 204 HA3 GLY 30 1HA GLY 30 -1.685 0.181 -2.786 205 H TYR 31 H TYR 31 -1.954 3.037 -2.568 206 HA TYR 31 HA TYR 31 -1.529 4.079 -0.066 207 HB2 TYR 31 2HB TYR 31 -3.803 4.797 -1.907 208 HB3 TYR 31 1HB TYR 31 -3.093 5.816 -0.661 209 HD1 TYR 31 1HD TYR 31 -3.147 5.166 -4.077 210 HD2 TYR 31 2HD TYR 31 -0.434 6.138 -0.950 211 HE1 TYR 31 1HE TYR 31 -1.558 6.013 -5.729 212 HE2 TYR 31 2HE TYR 31 1.158 6.997 -2.592 213 HH TYR 31 HH TYR 31 1.657 6.691 -5.002 214 HA PRO 32 HA PRO 32 -4.382 1.629 2.304 215 HB2 PRO 32 2HB PRO 32 -3.595 2.439 4.683 216 HB3 PRO 32 1HB PRO 32 -2.525 1.475 3.656 217 HG2 PRO 32 2HG PRO 32 -2.568 4.441 4.064 218 HG3 PRO 32 1HG PRO 32 -1.183 3.337 4.109 219 HD2 PRO 32 2HD PRO 32 -1.813 4.808 1.933 220 HD3 PRO 32 1HD PRO 32 -1.051 3.203 1.830 221 H TYR 33 H TYR 33 -5.804 1.917 4.122 222 HA TYR 33 HA TYR 33 -7.583 4.142 3.614 223 HB2 TYR 33 2HB TYR 33 -8.339 1.772 3.783 224 HB3 TYR 33 1HB TYR 33 -7.915 1.796 5.480 225 HD1 TYR 33 1HD TYR 33 -9.578 2.302 7.041 226 HD2 TYR 33 2HD TYR 33 -10.018 3.733 3.061 227 HE1 TYR 33 1HE TYR 33 -11.777 3.203 7.607 228 HE2 TYR 33 2HE TYR 33 -12.213 4.626 3.613 229 HH TYR 33 HH TYR 33 -14.012 4.255 5.271 230 H ASP 34 H ASP 34 -5.146 3.343 5.824 231 HA ASP 34 HA ASP 34 -6.251 4.732 8.069 232 HB2 ASP 34 2HB ASP 34 -4.242 4.385 9.261 233 HB3 ASP 34 1HB ASP 34 -4.355 2.993 8.202 234 H VAL 35 H VAL 35 -4.607 5.725 5.264 235 HA VAL 35 HA VAL 35 -4.102 8.334 6.372 236 HB VAL 35 HB VAL 35 -3.078 8.934 4.225 237 HG11 VAL 35 1HG1 VAL 35 -2.144 6.280 5.283 238 HG12 VAL 35 2HG1 VAL 35 -1.683 7.874 5.870 239 HG13 VAL 35 3HG1 VAL 35 -1.190 7.351 4.258 240 HG21 VAL 35 1HG2 VAL 35 -4.476 7.660 2.680 241 HG22 VAL 35 2HG2 VAL 35 -3.826 6.148 3.309 242 HG23 VAL 35 3HG2 VAL 35 -2.776 7.260 2.430 243 HA PRO 36 HA PRO 36 -8.170 9.641 5.329 244 HB2 PRO 36 2HB PRO 36 -7.918 12.236 5.976 245 HB3 PRO 36 1HB PRO 36 -7.960 10.945 7.187 246 HG2 PRO 36 2HG PRO 36 -5.601 12.376 6.030 247 HG3 PRO 36 1HG PRO 36 -5.945 11.993 7.729 248 HD2 PRO 36 2HD PRO 36 -4.263 10.514 6.218 249 HD3 PRO 36 1HD PRO 36 -5.266 9.802 7.493 250 H ASP 37 H ASP 37 -5.436 10.684 3.598 251 HA ASP 37 HA ASP 37 -6.871 12.622 1.987 252 HB2 ASP 37 2HB ASP 37 -4.757 13.034 0.881 253 HB3 ASP 37 1HB ASP 37 -4.549 13.044 2.631 254 H TYR 38 H TYR 38 -6.451 9.286 1.905 255 HA TYR 38 HA TYR 38 -6.970 9.349 -0.969 256 HB2 TYR 38 2HB TYR 38 -4.744 8.357 -0.441 257 HB3 TYR 38 1HB TYR 38 -5.551 7.132 0.530 258 HD1 TYR 38 1HD TYR 38 -5.242 8.456 -2.921 259 HD2 TYR 38 2HD TYR 38 -6.420 5.199 -0.477 260 HE1 TYR 38 1HE TYR 38 -5.518 7.065 -4.928 261 HE2 TYR 38 2HE TYR 38 -6.709 3.791 -2.481 262 HH TYR 38 HH TYR 38 -7.167 4.173 -4.940 263 H ALA 39 H ALA 39 -8.596 8.003 -1.757 264 HA ALA 39 HA ALA 39 -10.108 6.409 0.059 265 HB1 ALA 39 1HB ALA 39 -11.243 8.792 -1.418 266 HB2 ALA 39 2HB ALA 39 -11.090 8.637 0.332 267 HB3 ALA 39 3HB ALA 39 -12.185 7.574 -0.556 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -8.443 1.297 -7.411 2 HA2 GLY 1 2HA GLY 1 -9.772 -0.769 -7.046 3 HA3 GLY 1 1HA GLY 1 -8.527 -1.614 -7.954 4 H GLY 2 H GLY 2 -7.138 0.720 -6.033 5 HA2 GLY 2 2HA GLY 2 -6.082 -1.276 -4.238 6 HA3 GLY 2 1HA GLY 2 -5.623 0.426 -4.314 7 H VAL 3 H VAL 3 -7.351 -1.866 -2.643 8 HA VAL 3 HA VAL 3 -8.384 0.172 -0.917 9 HB VAL 3 HB VAL 3 -10.267 -0.121 -2.349 10 HG11 VAL 3 1HG1 VAL 3 -11.426 -2.286 -2.662 11 HG12 VAL 3 2HG1 VAL 3 -10.103 -3.086 -1.815 12 HG13 VAL 3 3HG1 VAL 3 -9.801 -2.268 -3.348 13 HG21 VAL 3 1HG2 VAL 3 -11.998 -0.884 -0.760 14 HG22 VAL 3 2HG2 VAL 3 -10.803 0.179 -0.016 15 HG23 VAL 3 3HG2 VAL 3 -10.727 -1.560 0.259 16 H CYS 4 H CYS 4 -7.112 -0.344 0.639 17 HA CYS 4 HA CYS 4 -7.481 -2.960 1.900 18 HB2 CYS 4 2HB CYS 4 -4.943 -1.362 1.772 19 HB3 CYS 4 1HB CYS 4 -5.120 -2.985 2.431 20 HA PRO 5 HA PRO 5 -8.493 -0.338 5.373 21 HB2 PRO 5 2HB PRO 5 -8.096 -2.120 7.400 22 HB3 PRO 5 1HB PRO 5 -9.495 -2.181 6.319 23 HG2 PRO 5 2HG PRO 5 -6.947 -3.752 6.218 24 HG3 PRO 5 1HG PRO 5 -8.615 -4.318 6.006 25 HD2 PRO 5 2HD PRO 5 -6.975 -3.862 3.924 26 HD3 PRO 5 1HD PRO 5 -8.721 -3.553 3.827 27 H LYS 6 H LYS 6 -5.405 -1.514 4.844 28 HA LYS 6 HA LYS 6 -4.149 -0.561 7.282 29 HB2 LYS 6 2HB LYS 6 -3.043 -1.746 4.746 30 HB3 LYS 6 1HB LYS 6 -2.058 -1.285 6.120 31 HG2 LYS 6 2HG LYS 6 -3.140 -2.939 7.506 32 HG3 LYS 6 1HG LYS 6 -4.271 -3.320 6.210 33 HD2 LYS 6 2HD LYS 6 -2.498 -4.172 4.829 34 HD3 LYS 6 1HD LYS 6 -1.283 -3.640 5.989 35 HE2 LYS 6 2HE LYS 6 -3.424 -5.665 6.602 36 HE3 LYS 6 1HE LYS 6 -1.811 -6.092 6.048 37 HZ1 LYS 6 1HZ LYS 6 -0.895 -5.013 7.975 38 HZ2 LYS 6 2HZ LYS 6 -1.965 -6.208 8.460 39 HZ3 LYS 6 3HZ LYS 6 -2.414 -4.593 8.562 40 H ILE 7 H ILE 7 -2.073 0.808 6.995 41 HA ILE 7 HA ILE 7 -2.565 3.017 5.132 42 HB ILE 7 HB ILE 7 -1.138 4.376 6.639 43 HG12 ILE 7 2HG1 ILE 7 -1.407 2.047 8.561 44 HG13 ILE 7 1HG1 ILE 7 0.073 2.534 7.748 45 HG21 ILE 7 1HG2 ILE 7 -3.506 4.583 6.738 46 HG22 ILE 7 2HG2 ILE 7 -2.840 4.726 8.375 47 HG23 ILE 7 3HG2 ILE 7 -3.613 3.219 7.852 48 HD11 ILE 7 1HD1 ILE 7 0.046 3.289 10.056 49 HD12 ILE 7 2HD1 ILE 7 -1.457 4.166 9.767 50 HD13 ILE 7 3HD1 ILE 7 0.026 4.664 8.953 51 H LEU 8 H LEU 8 -0.320 4.185 4.702 52 HA LEU 8 HA LEU 8 1.112 2.416 3.178 53 HB2 LEU 8 2HB LEU 8 2.833 4.183 2.885 54 HB3 LEU 8 1HB LEU 8 1.199 4.684 2.555 55 HG LEU 8 HG LEU 8 1.263 5.736 4.917 56 HD11 LEU 8 1HD1 LEU 8 3.281 4.695 5.739 57 HD12 LEU 8 2HD1 LEU 8 3.469 6.450 5.676 58 HD13 LEU 8 3HD1 LEU 8 4.216 5.438 4.441 59 HD21 LEU 8 1HD2 LEU 8 1.190 7.039 2.880 60 HD22 LEU 8 2HD2 LEU 8 2.927 6.842 2.670 61 HD23 LEU 8 3HD2 LEU 8 2.304 7.772 4.034 62 H GLN 9 H GLN 9 2.537 1.058 3.393 63 HA GLN 9 HA GLN 9 4.479 1.083 5.551 64 HB2 GLN 9 2HB GLN 9 2.448 -0.270 6.266 65 HB3 GLN 9 1HB GLN 9 2.748 -1.324 4.898 66 HG2 GLN 9 2HG GLN 9 4.951 -1.871 5.852 67 HG3 GLN 9 1HG GLN 9 4.543 -0.892 7.262 68 HE21 GLN 9 1HE2 GLN 9 2.298 -2.962 5.493 69 HE22 GLN 9 2HE2 GLN 9 2.029 -4.061 6.768 70 H ARG 10 H ARG 10 6.310 -0.155 4.928 71 HA ARG 10 HA ARG 10 7.124 -0.046 2.280 72 HB2 ARG 10 2HB ARG 10 8.650 -0.109 4.133 73 HB3 ARG 10 1HB ARG 10 8.139 -1.756 4.542 74 HG2 ARG 10 2HG ARG 10 10.269 -1.923 3.501 75 HG3 ARG 10 1HG ARG 10 9.089 -2.437 2.298 76 HD2 ARG 10 2HD ARG 10 9.152 -0.077 1.407 77 HD3 ARG 10 1HD ARG 10 10.527 0.198 2.475 78 HE ARG 10 HE ARG 10 11.007 -2.092 0.956 79 HH11 ARG 10 1HH1 ARG 10 10.951 1.423 0.639 80 HH12 ARG 10 2HH1 ARG 10 11.826 1.463 -0.817 81 HH21 ARG 10 1HH2 ARG 10 12.224 -2.048 -1.082 82 HH22 ARG 10 2HH2 ARG 10 12.568 -0.562 -1.824 83 H CYS 11 H CYS 11 7.471 -1.575 0.807 84 HA CYS 11 HA CYS 11 6.121 -4.161 1.138 85 HB2 CYS 11 2HB CYS 11 5.688 -4.147 -1.328 86 HB3 CYS 11 1HB CYS 11 4.791 -2.933 -0.437 87 H ARG 12 H ARG 12 7.334 -5.896 0.815 88 HA ARG 12 HA ARG 12 10.082 -5.637 -0.049 89 HB2 ARG 12 2HB ARG 12 8.339 -8.079 0.351 90 HB3 ARG 12 1HB ARG 12 10.070 -8.117 0.069 91 HG2 ARG 12 2HG ARG 12 10.519 -7.142 2.184 92 HG3 ARG 12 1HG ARG 12 8.812 -6.750 2.428 93 HD2 ARG 12 2HD ARG 12 8.248 -9.065 2.469 94 HD3 ARG 12 1HD ARG 12 9.912 -9.530 2.132 95 HE ARG 12 HE ARG 12 10.527 -8.730 4.280 96 HH11 ARG 12 1HH1 ARG 12 6.998 -8.866 3.839 97 HH12 ARG 12 2HH1 ARG 12 6.671 -9.116 5.493 98 HH21 ARG 12 1HH2 ARG 12 10.056 -9.084 6.536 99 HH22 ARG 12 2HH2 ARG 12 8.445 -9.232 7.059 100 H ARG 13 H ARG 13 7.030 -6.739 -1.262 101 HA ARG 13 HA ARG 13 7.572 -6.094 -3.931 102 HB2 ARG 13 2HB ARG 13 7.291 -8.400 -4.872 103 HB3 ARG 13 1HB ARG 13 8.813 -8.134 -4.067 104 HG2 ARG 13 2HG ARG 13 7.903 -9.302 -2.064 105 HG3 ARG 13 1HG ARG 13 6.457 -9.682 -3.010 106 HD2 ARG 13 2HD ARG 13 8.092 -11.529 -3.042 107 HD3 ARG 13 1HD ARG 13 7.800 -10.848 -4.647 108 HE ARG 13 HE ARG 13 10.110 -10.014 -3.037 109 HH11 ARG 13 1HH1 ARG 13 8.872 -11.547 -6.006 110 HH12 ARG 13 2HH1 ARG 13 10.300 -11.313 -6.880 111 HH21 ARG 13 1HH2 ARG 13 12.103 -9.685 -4.288 112 HH22 ARG 13 2HH2 ARG 13 12.167 -10.256 -5.886 113 H ASP 14 H ASP 14 5.634 -7.306 -5.275 114 HA ASP 14 HA ASP 14 3.340 -6.014 -4.202 115 HB2 ASP 14 2HB ASP 14 3.662 -7.790 -6.607 116 HB3 ASP 14 1HB ASP 14 2.117 -7.086 -6.150 117 H SER 15 H SER 15 4.155 -9.417 -4.591 118 HA SER 15 HA SER 15 1.780 -10.488 -3.557 119 HB2 SER 15 2HB SER 15 4.567 -11.621 -3.474 120 HB3 SER 15 1HB SER 15 3.056 -12.541 -3.420 121 HG SER 15 HG SER 15 2.615 -11.672 -5.539 122 H ASP 16 H ASP 16 4.226 -8.767 -2.043 123 HA ASP 16 HA ASP 16 4.048 -10.023 0.563 124 HB2 ASP 16 2HB ASP 16 6.217 -9.246 -0.161 125 HB3 ASP 16 1HB ASP 16 5.579 -7.648 -0.496 126 H CYS 17 H CYS 17 2.399 -7.635 -1.194 127 HA CYS 17 HA CYS 17 1.406 -6.260 1.199 128 HB2 CYS 17 2HB CYS 17 0.700 -5.771 -1.711 129 HB3 CYS 17 1HB CYS 17 0.401 -4.720 -0.330 130 HA PRO 18 HA PRO 18 -1.759 -9.498 0.794 131 HB2 PRO 18 2HB PRO 18 -2.832 -9.268 3.258 132 HB3 PRO 18 1HB PRO 18 -1.297 -10.096 2.974 133 HG2 PRO 18 2HG PRO 18 -1.806 -7.356 4.035 134 HG3 PRO 18 1HG PRO 18 -0.574 -8.546 4.500 135 HD2 PRO 18 2HD PRO 18 -0.118 -6.378 2.844 136 HD3 PRO 18 1HD PRO 18 0.874 -7.847 2.873 137 H GLY 19 H GLY 19 -3.708 -9.349 0.008 138 HA2 GLY 19 2HA GLY 19 -5.928 -8.523 -0.089 139 HA3 GLY 19 1HA GLY 19 -5.342 -7.025 0.634 140 H ALA 20 H ALA 20 -6.484 -5.971 -1.087 141 HA ALA 20 HA ALA 20 -5.702 -6.349 -3.853 142 HB1 ALA 20 1HB ALA 20 -7.437 -4.242 -2.558 143 HB2 ALA 20 2HB ALA 20 -8.002 -5.761 -3.254 144 HB3 ALA 20 3HB ALA 20 -7.291 -4.524 -4.291 145 H CYS 21 H CYS 21 -3.734 -5.491 -1.890 146 HA CYS 21 HA CYS 21 -3.086 -2.703 -2.454 147 HB2 CYS 21 2HB CYS 21 -1.456 -4.643 -0.898 148 HB3 CYS 21 1HB CYS 21 -1.551 -2.919 -0.662 149 H ILE 22 H ILE 22 -1.317 -2.140 -3.735 150 HA ILE 22 HA ILE 22 0.245 -4.349 -4.936 151 HB ILE 22 HB ILE 22 0.748 -2.853 -6.808 152 HG12 ILE 22 2HG1 ILE 22 -1.083 -0.818 -5.501 153 HG13 ILE 22 1HG1 ILE 22 0.671 -0.735 -5.443 154 HG21 ILE 22 1HG2 ILE 22 -1.285 -4.216 -6.945 155 HG22 ILE 22 2HG2 ILE 22 -1.481 -2.690 -7.804 156 HG23 ILE 22 3HG2 ILE 22 -2.208 -2.906 -6.214 157 HD11 ILE 22 1HD1 ILE 22 -0.231 0.744 -7.136 158 HD12 ILE 22 2HD1 ILE 22 -1.027 -0.621 -7.922 159 HD13 ILE 22 3HD1 ILE 22 0.734 -0.536 -7.871 160 H CYS 23 H CYS 23 2.568 -3.823 -5.323 161 HA CYS 23 HA CYS 23 3.619 -2.119 -3.190 162 HB2 CYS 23 2HB CYS 23 4.668 -4.324 -3.433 163 HB3 CYS 23 1HB CYS 23 4.981 -4.018 -5.131 164 H ARG 24 H ARG 24 4.395 -0.104 -3.634 165 HA ARG 24 HA ARG 24 4.266 0.682 -6.448 166 HB2 ARG 24 2HB ARG 24 4.166 2.297 -3.913 167 HB3 ARG 24 1HB ARG 24 4.199 2.993 -5.524 168 HG2 ARG 24 2HG ARG 24 2.079 2.032 -6.053 169 HG3 ARG 24 1HG ARG 24 2.075 1.107 -4.549 170 HD2 ARG 24 2HD ARG 24 2.150 4.111 -4.681 171 HD3 ARG 24 1HD ARG 24 0.666 3.170 -4.491 172 HE ARG 24 HE ARG 24 2.357 2.299 -2.540 173 HH11 ARG 24 1HH1 ARG 24 1.221 5.518 -3.415 174 HH12 ARG 24 2HH1 ARG 24 0.929 6.033 -1.829 175 HH21 ARG 24 1HH2 ARG 24 1.886 2.992 -0.304 176 HH22 ARG 24 2HH2 ARG 24 1.289 4.572 -0.029 177 H GLY 25 H GLY 25 5.842 2.293 -7.157 178 HA2 GLY 25 2HA GLY 25 8.479 1.375 -6.846 179 HA3 GLY 25 1HA GLY 25 8.001 2.858 -7.656 180 H ASN 26 H ASN 26 6.701 3.724 -5.055 181 HA ASN 26 HA ASN 26 8.973 5.095 -3.997 182 HB2 ASN 26 2HB ASN 26 7.461 6.218 -2.491 183 HB3 ASN 26 1HB ASN 26 6.677 6.125 -4.056 184 HD21 ASN 26 1HD2 ASN 26 5.456 6.578 -1.535 185 HD22 ASN 26 2HD2 ASN 26 4.351 5.300 -1.248 186 H GLY 27 H GLY 27 7.595 2.087 -3.405 187 HA2 GLY 27 2HA GLY 27 8.830 0.497 -2.143 188 HA3 GLY 27 1HA GLY 27 9.367 1.800 -1.100 189 H TYR 28 H TYR 28 6.136 2.236 -1.654 190 HA TYR 28 HA TYR 28 5.524 0.716 0.782 191 HB2 TYR 28 2HB TYR 28 4.366 3.400 -0.046 192 HB3 TYR 28 1HB TYR 28 3.930 2.497 1.401 193 HD1 TYR 28 1HD TYR 28 5.534 2.340 3.297 194 HD2 TYR 28 2HD TYR 28 6.423 4.655 -0.158 195 HE1 TYR 28 1HE TYR 28 7.354 3.452 4.511 196 HE2 TYR 28 2HE TYR 28 8.236 5.762 1.034 197 HH TYR 28 HH TYR 28 9.499 4.650 3.939 198 H CYS 29 H CYS 29 3.291 -0.089 0.923 199 HA CYS 29 HA CYS 29 2.497 -0.968 -1.703 200 HB2 CYS 29 2HB CYS 29 1.176 -1.569 0.953 201 HB3 CYS 29 1HB CYS 29 0.830 -2.345 -0.578 202 H GLY 30 H GLY 30 0.557 -0.589 -2.587 203 HA2 GLY 30 2HA GLY 30 -0.633 1.935 -1.864 204 HA3 GLY 30 1HA GLY 30 -1.026 0.969 -3.296 205 H TYR 31 H TYR 31 -1.183 0.874 0.183 206 HA TYR 31 HA TYR 31 -3.354 -0.979 0.253 207 HB2 TYR 31 2HB TYR 31 -2.405 0.834 2.500 208 HB3 TYR 31 1HB TYR 31 -3.468 -0.518 2.674 209 HD1 TYR 31 1HD TYR 31 -0.127 0.644 2.638 210 HD2 TYR 31 2HD TYR 31 -2.485 -2.861 2.358 211 HE1 TYR 31 1HE TYR 31 1.795 -0.691 3.321 212 HE2 TYR 31 2HE TYR 31 -0.563 -4.220 3.044 213 HH TYR 31 HH TYR 31 1.966 -4.032 3.064 214 HA PRO 32 HA PRO 32 -5.974 2.648 1.541 215 HB2 PRO 32 2HB PRO 32 -4.793 5.170 1.784 216 HB3 PRO 32 1HB PRO 32 -5.073 4.004 3.075 217 HG2 PRO 32 2HG PRO 32 -2.584 4.829 2.073 218 HG3 PRO 32 1HG PRO 32 -2.861 3.442 3.149 219 HD2 PRO 32 2HD PRO 32 -2.509 3.566 0.197 220 HD3 PRO 32 1HD PRO 32 -1.952 2.317 1.308 221 H TYR 33 H TYR 33 -7.028 4.691 0.995 222 HA TYR 33 HA TYR 33 -7.766 4.791 -1.712 223 HB2 TYR 33 2HB TYR 33 -9.140 6.709 -0.991 224 HB3 TYR 33 1HB TYR 33 -9.316 5.275 0.040 225 HD1 TYR 33 1HD TYR 33 -8.119 8.744 -0.150 226 HD2 TYR 33 2HD TYR 33 -8.514 5.322 2.359 227 HE1 TYR 33 1HE TYR 33 -7.590 10.114 1.799 228 HE2 TYR 33 2HE TYR 33 -7.987 6.688 4.310 229 HH TYR 33 HH TYR 33 -6.713 8.850 4.723 230 H ASP 34 H ASP 34 -5.417 6.419 0.016 231 HA ASP 34 HA ASP 34 -5.307 8.813 -1.538 232 HB2 ASP 34 2HB ASP 34 -3.338 9.492 -0.321 233 HB3 ASP 34 1HB ASP 34 -4.497 8.802 0.796 234 H VAL 35 H VAL 35 -4.599 5.908 -2.559 235 HA VAL 35 HA VAL 35 -2.359 6.715 -4.266 236 HB VAL 35 HB VAL 35 -3.716 4.009 -4.044 237 HG11 VAL 35 1HG1 VAL 35 -2.572 4.317 -6.162 238 HG12 VAL 35 2HG1 VAL 35 -1.725 3.134 -5.166 239 HG13 VAL 35 3HG1 VAL 35 -1.093 4.772 -5.318 240 HG21 VAL 35 1HG2 VAL 35 -1.802 3.298 -2.719 241 HG22 VAL 35 2HG2 VAL 35 -2.680 4.607 -1.924 242 HG23 VAL 35 3HG2 VAL 35 -1.156 4.938 -2.751 243 HA PRO 36 HA PRO 36 -5.933 7.324 -7.057 244 HB2 PRO 36 2HB PRO 36 -5.160 9.608 -8.202 245 HB3 PRO 36 1HB PRO 36 -5.826 9.581 -6.565 246 HG2 PRO 36 2HG PRO 36 -3.007 9.889 -7.462 247 HG3 PRO 36 1HG PRO 36 -3.820 10.590 -6.055 248 HD2 PRO 36 2HD PRO 36 -2.157 8.306 -6.067 249 HD3 PRO 36 1HD PRO 36 -3.208 8.840 -4.743 250 H ASP 37 H ASP 37 -2.589 6.862 -7.705 251 HA ASP 37 HA ASP 37 -2.834 6.960 -10.577 252 HB2 ASP 37 2HB ASP 37 -0.498 6.192 -10.643 253 HB3 ASP 37 1HB ASP 37 -0.691 7.560 -9.556 254 H TYR 38 H TYR 38 -3.552 4.719 -8.238 255 HA TYR 38 HA TYR 38 -3.580 2.595 -10.243 256 HB2 TYR 38 2HB TYR 38 -2.093 2.068 -8.326 257 HB3 TYR 38 1HB TYR 38 -3.433 2.337 -7.220 258 HD1 TYR 38 1HD TYR 38 -2.575 0.261 -10.205 259 HD2 TYR 38 2HD TYR 38 -4.607 0.473 -6.481 260 HE1 TYR 38 1HE TYR 38 -3.187 -2.101 -10.412 261 HE2 TYR 38 2HE TYR 38 -5.226 -1.890 -6.679 262 HH TYR 38 HH TYR 38 -5.519 -3.577 -8.480 263 H ALA 39 H ALA 39 -5.494 1.307 -10.249 264 HA ALA 39 HA ALA 39 -7.796 2.581 -8.954 265 HB1 ALA 39 1HB ALA 39 -7.832 2.977 -11.360 266 HB2 ALA 39 2HB ALA 39 -9.131 1.878 -10.896 267 HB3 ALA 39 3HB ALA 39 -7.671 1.248 -11.658 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -10.728 2.275 -3.068 2 HA2 GLY 1 2HA GLY 1 -11.060 0.682 -4.829 3 HA3 GLY 1 1HA GLY 1 -9.593 1.297 -5.589 4 H GLY 2 H GLY 2 -7.714 0.359 -5.167 5 HA2 GLY 2 2HA GLY 2 -7.728 -2.010 -3.503 6 HA3 GLY 2 1HA GLY 2 -6.423 -1.472 -4.554 7 H VAL 3 H VAL 3 -8.139 -0.341 -1.645 8 HA VAL 3 HA VAL 3 -5.744 0.942 -0.745 9 HB VAL 3 HB VAL 3 -7.174 1.712 1.116 10 HG11 VAL 3 1HG1 VAL 3 -8.278 2.234 -1.637 11 HG12 VAL 3 2HG1 VAL 3 -6.928 3.072 -0.874 12 HG13 VAL 3 3HG1 VAL 3 -8.549 3.246 -0.219 13 HG21 VAL 3 1HG2 VAL 3 -9.613 1.410 1.008 14 HG22 VAL 3 2HG2 VAL 3 -8.778 -0.130 1.210 15 HG23 VAL 3 3HG2 VAL 3 -9.412 0.329 -0.369 16 H CYS 4 H CYS 4 -4.735 0.444 1.101 17 HA CYS 4 HA CYS 4 -4.968 -2.327 1.807 18 HB2 CYS 4 2HB CYS 4 -3.014 -0.235 2.728 19 HB3 CYS 4 1HB CYS 4 -3.004 -1.892 3.328 20 HA PRO 5 HA PRO 5 -7.739 -1.775 5.190 21 HB2 PRO 5 2HB PRO 5 -7.108 -4.222 6.392 22 HB3 PRO 5 1HB PRO 5 -8.359 -3.983 5.168 23 HG2 PRO 5 2HG PRO 5 -5.599 -5.047 4.896 24 HG3 PRO 5 1HG PRO 5 -7.064 -5.465 3.992 25 HD2 PRO 5 2HD PRO 5 -5.083 -3.935 2.989 26 HD3 PRO 5 1HD PRO 5 -6.781 -3.740 2.509 27 H LYS 6 H LYS 6 -4.611 -3.315 5.923 28 HA LYS 6 HA LYS 6 -4.499 -1.863 8.400 29 HB2 LYS 6 2HB LYS 6 -2.256 -2.915 8.679 30 HB3 LYS 6 1HB LYS 6 -3.567 -4.062 8.477 31 HG2 LYS 6 2HG LYS 6 -2.892 -4.532 6.223 32 HG3 LYS 6 1HG LYS 6 -1.702 -3.229 6.259 33 HD2 LYS 6 2HD LYS 6 -0.654 -5.434 6.577 34 HD3 LYS 6 1HD LYS 6 -0.444 -4.387 7.978 35 HE2 LYS 6 2HE LYS 6 -2.347 -5.546 9.073 36 HE3 LYS 6 1HE LYS 6 -2.445 -6.635 7.689 37 HZ1 LYS 6 1HZ LYS 6 -1.229 -7.622 9.491 38 HZ2 LYS 6 2HZ LYS 6 -0.156 -6.332 9.548 39 HZ3 LYS 6 3HZ LYS 6 -0.167 -7.351 8.207 40 H ILE 7 H ILE 7 -3.128 -0.217 8.879 41 HA ILE 7 HA ILE 7 -2.396 1.320 6.545 42 HB ILE 7 HB ILE 7 -2.101 3.214 8.054 43 HG12 ILE 7 2HG1 ILE 7 -2.809 1.298 10.297 44 HG13 ILE 7 1HG1 ILE 7 -1.206 1.957 10.005 45 HG21 ILE 7 1HG2 ILE 7 -4.341 2.788 7.222 46 HG22 ILE 7 2HG2 ILE 7 -4.426 3.420 8.867 47 HG23 ILE 7 3HG2 ILE 7 -4.660 1.698 8.572 48 HD11 ILE 7 1HD1 ILE 7 -2.312 3.129 11.815 49 HD12 ILE 7 2HD1 ILE 7 -3.667 3.516 10.755 50 HD13 ILE 7 3HD1 ILE 7 -2.077 4.211 10.440 51 H LEU 8 H LEU 8 -0.391 2.347 6.369 52 HA LEU 8 HA LEU 8 1.808 2.397 6.164 53 HB2 LEU 8 2HB LEU 8 1.622 3.106 8.527 54 HB3 LEU 8 1HB LEU 8 1.792 1.441 9.029 55 HG LEU 8 HG LEU 8 4.087 1.430 8.096 56 HD11 LEU 8 1HD1 LEU 8 5.132 3.568 7.513 57 HD12 LEU 8 2HD1 LEU 8 3.560 4.362 7.646 58 HD13 LEU 8 3HD1 LEU 8 3.832 3.140 6.404 59 HD21 LEU 8 1HD2 LEU 8 5.060 2.825 9.842 60 HD22 LEU 8 2HD2 LEU 8 3.694 1.886 10.450 61 HD23 LEU 8 3HD2 LEU 8 3.499 3.603 10.093 62 H GLN 9 H GLN 9 1.543 0.628 4.584 63 HA GLN 9 HA GLN 9 2.834 -1.789 5.579 64 HB2 GLN 9 2HB GLN 9 0.349 -1.927 4.912 65 HB3 GLN 9 1HB GLN 9 0.902 -1.660 3.267 66 HG2 GLN 9 2HG GLN 9 2.218 -3.683 3.344 67 HG3 GLN 9 1HG GLN 9 1.784 -3.929 5.033 68 HE21 GLN 9 1HE2 GLN 9 -0.437 -2.839 2.526 69 HE22 GLN 9 2HE2 GLN 9 -1.402 -4.262 2.539 70 H ARG 10 H ARG 10 4.704 -2.171 4.622 71 HA ARG 10 HA ARG 10 5.364 -0.662 2.205 72 HB2 ARG 10 2HB ARG 10 7.144 -1.531 4.485 73 HB3 ARG 10 1HB ARG 10 7.730 -0.813 2.987 74 HG2 ARG 10 2HG ARG 10 6.558 1.230 3.436 75 HG3 ARG 10 1HG ARG 10 5.786 0.521 4.852 76 HD2 ARG 10 2HD ARG 10 7.928 0.313 5.943 77 HD3 ARG 10 1HD ARG 10 8.752 0.944 4.516 78 HE ARG 10 HE ARG 10 7.137 2.933 4.991 79 HH11 ARG 10 1HH1 ARG 10 9.020 1.100 7.371 80 HH12 ARG 10 2HH1 ARG 10 9.149 2.391 8.461 81 HH21 ARG 10 1HH2 ARG 10 7.302 4.682 6.483 82 HH22 ARG 10 2HH2 ARG 10 8.125 4.472 7.971 83 H CYS 11 H CYS 11 6.994 -1.745 0.760 84 HA CYS 11 HA CYS 11 6.716 -4.664 0.864 85 HB2 CYS 11 2HB CYS 11 5.794 -4.719 -1.368 86 HB3 CYS 11 1HB CYS 11 4.730 -3.823 -0.280 87 H ARG 12 H ARG 12 8.111 -5.766 -0.628 88 HA ARG 12 HA ARG 12 9.696 -3.981 -2.237 89 HB2 ARG 12 2HB ARG 12 11.627 -5.518 -2.239 90 HB3 ARG 12 1HB ARG 12 11.280 -4.920 -0.642 91 HG2 ARG 12 2HG ARG 12 10.470 -7.659 -1.597 92 HG3 ARG 12 1HG ARG 12 12.019 -7.319 -0.837 93 HD2 ARG 12 2HD ARG 12 10.579 -6.341 1.089 94 HD3 ARG 12 1HD ARG 12 9.264 -7.252 0.349 95 HE ARG 12 HE ARG 12 11.545 -8.871 0.647 96 HH11 ARG 12 1HH1 ARG 12 8.702 -7.802 2.399 97 HH12 ARG 12 2HH1 ARG 12 9.004 -8.732 3.793 98 HH21 ARG 12 1HH2 ARG 12 11.931 -10.261 2.509 99 HH22 ARG 12 2HH2 ARG 12 10.873 -10.192 3.829 100 H ARG 13 H ARG 13 7.440 -6.443 -2.137 101 HA ARG 13 HA ARG 13 7.221 -6.202 -4.956 102 HB2 ARG 13 2HB ARG 13 7.153 -8.630 -5.443 103 HB3 ARG 13 1HB ARG 13 8.746 -8.088 -4.955 104 HG2 ARG 13 2HG ARG 13 8.503 -9.069 -2.814 105 HG3 ARG 13 1HG ARG 13 6.796 -9.425 -3.107 106 HD2 ARG 13 2HD ARG 13 9.086 -10.552 -4.705 107 HD3 ARG 13 1HD ARG 13 8.282 -11.396 -3.379 108 HE ARG 13 HE ARG 13 6.335 -10.591 -5.259 109 HH11 ARG 13 1HH1 ARG 13 9.068 -12.821 -5.182 110 HH12 ARG 13 2HH1 ARG 13 8.281 -13.997 -6.119 111 HH21 ARG 13 1HH2 ARG 13 5.268 -12.148 -6.488 112 HH22 ARG 13 2HH2 ARG 13 6.046 -13.620 -6.900 113 H ASP 14 H ASP 14 5.391 -7.991 -5.545 114 HA ASP 14 HA ASP 14 3.016 -6.896 -4.631 115 HB2 ASP 14 2HB ASP 14 1.968 -8.733 -5.918 116 HB3 ASP 14 1HB ASP 14 3.233 -7.902 -6.814 117 H SER 15 H SER 15 4.649 -9.884 -3.664 118 HA SER 15 HA SER 15 2.631 -11.116 -2.193 119 HB2 SER 15 2HB SER 15 5.587 -11.213 -1.685 120 HB3 SER 15 1HB SER 15 4.397 -12.478 -1.357 121 HG SER 15 HG SER 15 4.034 -12.582 -3.610 122 H ASP 16 H ASP 16 4.550 -8.352 -1.451 123 HA ASP 16 HA ASP 16 4.564 -8.564 1.382 124 HB2 ASP 16 2HB ASP 16 5.223 -6.521 -0.646 125 HB3 ASP 16 1HB ASP 16 5.254 -6.097 1.039 126 H CYS 17 H CYS 17 2.245 -7.671 -0.930 127 HA CYS 17 HA CYS 17 0.928 -5.967 1.057 128 HB2 CYS 17 2HB CYS 17 0.664 -5.684 -1.930 129 HB3 CYS 17 1HB CYS 17 0.087 -4.585 -0.685 130 HA PRO 18 HA PRO 18 -2.043 -9.464 0.337 131 HB2 PRO 18 2HB PRO 18 -2.779 -8.624 3.084 132 HB3 PRO 18 1HB PRO 18 -2.472 -10.247 2.458 133 HG2 PRO 18 2HG PRO 18 -0.713 -9.051 4.057 134 HG3 PRO 18 1HG PRO 18 -0.177 -10.049 2.693 135 HD2 PRO 18 2HD PRO 18 -0.329 -7.068 2.911 136 HD3 PRO 18 1HD PRO 18 0.945 -8.079 2.202 137 H GLY 19 H GLY 19 -4.367 -9.325 0.345 138 HA2 GLY 19 2HA GLY 19 -6.394 -8.221 0.177 139 HA3 GLY 19 1HA GLY 19 -5.595 -6.738 0.708 140 H ALA 20 H ALA 20 -6.797 -5.747 -1.095 141 HA ALA 20 HA ALA 20 -6.023 -6.496 -3.788 142 HB1 ALA 20 1HB ALA 20 -7.520 -4.693 -4.466 143 HB2 ALA 20 2HB ALA 20 -7.689 -4.183 -2.790 144 HB3 ALA 20 3HB ALA 20 -8.312 -5.754 -3.302 145 H CYS 21 H CYS 21 -4.006 -5.604 -1.969 146 HA CYS 21 HA CYS 21 -3.281 -2.910 -2.809 147 HB2 CYS 21 2HB CYS 21 -2.021 -4.781 -0.825 148 HB3 CYS 21 1HB CYS 21 -1.452 -3.153 -1.179 149 H ILE 22 H ILE 22 -1.574 -2.463 -4.110 150 HA ILE 22 HA ILE 22 0.056 -4.731 -5.037 151 HB ILE 22 HB ILE 22 0.626 -3.343 -7.011 152 HG12 ILE 22 2HG1 ILE 22 -1.453 -1.404 -5.964 153 HG13 ILE 22 1HG1 ILE 22 0.283 -1.125 -5.932 154 HG21 ILE 22 1HG2 ILE 22 -1.540 -3.486 -8.170 155 HG22 ILE 22 2HG2 ILE 22 -2.336 -3.720 -6.614 156 HG23 ILE 22 3HG2 ILE 22 -1.197 -4.927 -7.209 157 HD11 ILE 22 1HD1 ILE 22 -0.803 0.070 -7.749 158 HD12 ILE 22 2HD1 ILE 22 -1.413 -1.459 -8.392 159 HD13 ILE 22 3HD1 ILE 22 0.323 -1.143 -8.359 160 H CYS 23 H CYS 23 2.335 -4.009 -5.578 161 HA CYS 23 HA CYS 23 3.361 -2.482 -3.328 162 HB2 CYS 23 2HB CYS 23 4.341 -4.689 -3.921 163 HB3 CYS 23 1HB CYS 23 4.813 -4.035 -5.482 164 H ARG 24 H ARG 24 4.559 -0.534 -3.573 165 HA ARG 24 HA ARG 24 4.531 0.562 -6.283 166 HB2 ARG 24 2HB ARG 24 4.099 2.059 -3.686 167 HB3 ARG 24 1HB ARG 24 4.194 2.782 -5.284 168 HG2 ARG 24 2HG ARG 24 2.067 0.869 -4.340 169 HG3 ARG 24 1HG ARG 24 1.888 2.611 -4.539 170 HD2 ARG 24 2HD ARG 24 2.485 0.621 -6.740 171 HD3 ARG 24 1HD ARG 24 0.935 1.390 -6.435 172 HE ARG 24 HE ARG 24 2.513 3.498 -6.736 173 HH11 ARG 24 1HH1 ARG 24 2.213 0.574 -8.772 174 HH12 ARG 24 2HH1 ARG 24 2.572 1.380 -10.212 175 HH21 ARG 24 1HH2 ARG 24 3.006 4.590 -8.777 176 HH22 ARG 24 2HH2 ARG 24 3.008 3.701 -10.229 177 H GLY 25 H GLY 25 6.196 2.053 -6.804 178 HA2 GLY 25 2HA GLY 25 8.750 1.066 -6.165 179 HA3 GLY 25 1HA GLY 25 8.400 2.481 -7.137 180 H ASN 26 H ASN 26 6.907 3.583 -4.712 181 HA ASN 26 HA ASN 26 9.102 5.036 -3.647 182 HB2 ASN 26 2HB ASN 26 7.533 6.210 -2.262 183 HB3 ASN 26 1HB ASN 26 6.774 5.985 -3.829 184 HD21 ASN 26 1HD2 ASN 26 5.560 6.520 -1.276 185 HD22 ASN 26 2HD2 ASN 26 4.473 5.223 -0.937 186 H GLY 27 H GLY 27 7.770 2.006 -2.865 187 HA2 GLY 27 2HA GLY 27 9.165 0.640 -1.402 188 HA3 GLY 27 1HA GLY 27 9.296 2.034 -0.339 189 H TYR 28 H TYR 28 6.313 2.354 -1.224 190 HA TYR 28 HA TYR 28 5.363 0.826 1.054 191 HB2 TYR 28 2HB TYR 28 4.394 3.354 -0.248 192 HB3 TYR 28 1HB TYR 28 3.367 2.419 0.824 193 HD1 TYR 28 1HD TYR 28 6.931 3.615 0.918 194 HD2 TYR 28 2HD TYR 28 3.183 3.355 2.900 195 HE1 TYR 28 1HE TYR 28 7.867 4.814 2.832 196 HE2 TYR 28 2HE TYR 28 4.110 4.562 4.822 197 HH TYR 28 HH TYR 28 6.977 6.238 4.690 198 H CYS 29 H CYS 29 3.208 0.013 0.871 199 HA CYS 29 HA CYS 29 2.636 -1.274 -1.631 200 HB2 CYS 29 2HB CYS 29 1.348 -1.158 1.074 201 HB3 CYS 29 1HB CYS 29 0.563 -2.011 -0.227 202 H GLY 30 H GLY 30 0.111 -1.162 -2.129 203 HA2 GLY 30 2HA GLY 30 -0.786 1.294 -2.967 204 HA3 GLY 30 1HA GLY 30 -1.866 -0.005 -2.451 205 H TYR 31 H TYR 31 -2.175 2.846 -2.054 206 HA TYR 31 HA TYR 31 -1.339 3.492 0.499 207 HB2 TYR 31 2HB TYR 31 -3.418 4.806 -1.244 208 HB3 TYR 31 1HB TYR 31 -2.782 5.502 0.249 209 HD1 TYR 31 1HD TYR 31 -2.126 4.860 -3.276 210 HD2 TYR 31 2HD TYR 31 -0.372 6.141 0.389 211 HE1 TYR 31 1HE TYR 31 -0.205 5.747 -4.509 212 HE2 TYR 31 2HE TYR 31 1.546 7.035 -0.832 213 HH TYR 31 HH TYR 31 2.697 6.754 -2.991 214 HA PRO 32 HA PRO 32 -4.540 1.372 2.745 215 HB2 PRO 32 2HB PRO 32 -3.531 2.647 5.145 216 HB3 PRO 32 1HB PRO 32 -3.433 0.951 4.656 217 HG2 PRO 32 2HG PRO 32 -1.253 2.507 4.756 218 HG3 PRO 32 1HG PRO 32 -1.451 1.262 3.514 219 HD2 PRO 32 2HD PRO 32 -1.998 4.205 3.313 220 HD3 PRO 32 1HD PRO 32 -1.043 3.143 2.242 221 H TYR 33 H TYR 33 -5.857 1.869 4.740 222 HA TYR 33 HA TYR 33 -7.963 3.526 4.238 223 HB2 TYR 33 2HB TYR 33 -8.055 1.692 5.793 224 HB3 TYR 33 1HB TYR 33 -6.937 2.493 6.873 225 HD1 TYR 33 1HD TYR 33 -10.325 2.900 5.376 226 HD2 TYR 33 2HD TYR 33 -7.731 3.828 8.620 227 HE1 TYR 33 1HE TYR 33 -12.194 3.952 6.565 228 HE2 TYR 33 2HE TYR 33 -9.594 4.880 9.818 229 HH TYR 33 HH TYR 33 -12.805 4.502 8.959 230 H ASP 34 H ASP 34 -4.996 4.407 5.863 231 HA ASP 34 HA ASP 34 -6.127 6.817 6.957 232 HB2 ASP 34 2HB ASP 34 -3.945 7.323 7.859 233 HB3 ASP 34 1HB ASP 34 -4.288 5.626 8.134 234 H VAL 35 H VAL 35 -5.349 6.053 3.902 235 HA VAL 35 HA VAL 35 -4.623 8.802 3.199 236 HB VAL 35 HB VAL 35 -4.288 6.239 1.607 237 HG11 VAL 35 1HG1 VAL 35 -3.061 7.640 -0.016 238 HG12 VAL 35 2HG1 VAL 35 -3.526 9.071 0.907 239 HG13 VAL 35 3HG1 VAL 35 -4.759 8.090 0.122 240 HG21 VAL 35 1HG2 VAL 35 -2.230 8.039 2.884 241 HG22 VAL 35 2HG2 VAL 35 -1.875 6.636 1.880 242 HG23 VAL 35 3HG2 VAL 35 -2.686 6.429 3.432 243 HA PRO 36 HA PRO 36 -9.051 8.500 2.093 244 HB2 PRO 36 2HB PRO 36 -8.980 11.414 2.048 245 HB3 PRO 36 1HB PRO 36 -9.890 10.338 3.108 246 HG2 PRO 36 2HG PRO 36 -7.817 11.823 3.998 247 HG3 PRO 36 1HG PRO 36 -8.206 10.230 4.668 248 HD2 PRO 36 2HD PRO 36 -6.089 10.981 2.685 249 HD3 PRO 36 1HD PRO 36 -6.005 9.886 4.085 250 H ASP 37 H ASP 37 -6.525 10.096 0.335 251 HA ASP 37 HA ASP 37 -8.298 10.940 -1.792 252 HB2 ASP 37 2HB ASP 37 -6.414 11.823 -2.960 253 HB3 ASP 37 1HB ASP 37 -6.179 12.209 -1.265 254 H TYR 38 H TYR 38 -6.721 8.079 -0.995 255 HA TYR 38 HA TYR 38 -6.891 7.167 -3.758 256 HB2 TYR 38 2HB TYR 38 -4.678 6.846 -2.654 257 HB3 TYR 38 1HB TYR 38 -5.458 5.875 -1.415 258 HD1 TYR 38 1HD TYR 38 -5.151 3.580 -1.645 259 HD2 TYR 38 2HD TYR 38 -5.345 5.954 -5.168 260 HE1 TYR 38 1HE TYR 38 -4.830 1.574 -3.002 261 HE2 TYR 38 2HE TYR 38 -5.016 3.950 -6.540 262 HH TYR 38 HH TYR 38 -4.139 1.696 -6.366 263 H ALA 39 H ALA 39 -7.995 5.188 -4.192 264 HA ALA 39 HA ALA 39 -9.644 4.084 -2.158 265 HB1 ALA 39 1HB ALA 39 -10.770 5.535 -4.545 266 HB2 ALA 39 2HB ALA 39 -10.972 5.994 -2.853 267 HB3 ALA 39 3HB ALA 39 -11.693 4.500 -3.459 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -9.378 2.451 -6.098 2 HA2 GLY 1 2HA GLY 1 -9.321 0.411 -7.446 3 HA3 GLY 1 1HA GLY 1 -7.771 0.957 -8.078 4 H GLY 2 H GLY 2 -5.944 0.731 -6.865 5 HA2 GLY 2 2HA GLY 2 -6.007 -1.431 -4.972 6 HA3 GLY 2 1HA GLY 2 -4.579 -0.625 -5.602 7 H VAL 3 H VAL 3 -7.388 0.225 -3.644 8 HA VAL 3 HA VAL 3 -5.663 1.679 -1.856 9 HB VAL 3 HB VAL 3 -7.810 2.481 -0.895 10 HG11 VAL 3 1HG1 VAL 3 -7.412 2.989 -3.848 11 HG12 VAL 3 2HG1 VAL 3 -6.595 3.830 -2.530 12 HG13 VAL 3 3HG1 VAL 3 -8.331 4.026 -2.758 13 HG21 VAL 3 1HG2 VAL 3 -9.048 1.135 -3.296 14 HG22 VAL 3 2HG2 VAL 3 -9.889 2.202 -2.166 15 HG23 VAL 3 3HG2 VAL 3 -9.254 0.650 -1.615 16 H CYS 4 H CYS 4 -5.699 1.211 0.329 17 HA CYS 4 HA CYS 4 -6.641 -1.507 0.901 18 HB2 CYS 4 2HB CYS 4 -4.049 -0.232 1.736 19 HB3 CYS 4 1HB CYS 4 -4.627 -1.815 2.248 20 HA PRO 5 HA PRO 5 -8.213 0.398 4.714 21 HB2 PRO 5 2HB PRO 5 -8.650 -2.302 5.711 22 HB3 PRO 5 1HB PRO 5 -9.859 -1.100 5.261 23 HG2 PRO 5 2HG PRO 5 -9.425 -3.402 3.857 24 HG3 PRO 5 1HG PRO 5 -10.062 -1.922 3.132 25 HD2 PRO 5 2HD PRO 5 -7.303 -3.052 3.037 26 HD3 PRO 5 1HD PRO 5 -8.240 -2.207 1.782 27 H LYS 6 H LYS 6 -5.782 -1.769 4.156 28 HA LYS 6 HA LYS 6 -4.603 -2.302 6.659 29 HB2 LYS 6 2HB LYS 6 -4.125 -3.509 4.521 30 HB3 LYS 6 1HB LYS 6 -3.376 -2.063 3.893 31 HG2 LYS 6 2HG LYS 6 -1.664 -3.614 4.517 32 HG3 LYS 6 1HG LYS 6 -1.621 -2.252 5.630 33 HD2 LYS 6 2HD LYS 6 -1.312 -4.271 6.865 34 HD3 LYS 6 1HD LYS 6 -2.901 -3.624 7.267 35 HE2 LYS 6 2HE LYS 6 -3.909 -5.236 5.653 36 HE3 LYS 6 1HE LYS 6 -2.301 -5.885 5.345 37 HZ1 LYS 6 1HZ LYS 6 -2.197 -6.557 7.710 38 HZ2 LYS 6 2HZ LYS 6 -3.527 -7.242 6.939 39 HZ3 LYS 6 3HZ LYS 6 -3.739 -5.924 7.939 40 H ILE 7 H ILE 7 -2.429 -1.357 7.260 41 HA ILE 7 HA ILE 7 -2.564 1.519 7.131 42 HB ILE 7 HB ILE 7 -0.585 1.345 8.780 43 HG12 ILE 7 2HG1 ILE 7 -0.563 -0.791 10.149 44 HG13 ILE 7 1HG1 ILE 7 -1.536 -1.544 8.903 45 HG21 ILE 7 1HG2 ILE 7 -2.080 0.937 10.687 46 HG22 ILE 7 2HG2 ILE 7 -3.308 0.355 9.562 47 HG23 ILE 7 3HG2 ILE 7 -2.761 2.027 9.483 48 HD11 ILE 7 1HD1 ILE 7 0.304 -1.257 7.313 49 HD12 ILE 7 2HD1 ILE 7 0.797 -2.186 8.729 50 HD13 ILE 7 3HD1 ILE 7 1.270 -0.495 8.577 51 H LEU 8 H LEU 8 -0.256 2.570 7.072 52 HA LEU 8 HA LEU 8 0.643 2.045 4.424 53 HB2 LEU 8 2HB LEU 8 0.517 4.330 5.332 54 HB3 LEU 8 1HB LEU 8 1.768 3.939 6.489 55 HG LEU 8 HG LEU 8 3.359 3.608 4.608 56 HD11 LEU 8 1HD1 LEU 8 1.792 3.036 2.848 57 HD12 LEU 8 2HD1 LEU 8 2.761 4.435 2.384 58 HD13 LEU 8 3HD1 LEU 8 1.095 4.654 2.918 59 HD21 LEU 8 1HD2 LEU 8 1.990 6.294 4.694 60 HD22 LEU 8 2HD2 LEU 8 3.614 5.984 4.079 61 HD23 LEU 8 3HD2 LEU 8 3.256 5.738 5.789 62 H GLN 9 H GLN 9 1.365 -0.058 4.593 63 HA GLN 9 HA GLN 9 3.858 -0.494 6.028 64 HB2 GLN 9 2HB GLN 9 3.623 -2.858 5.341 65 HB3 GLN 9 1HB GLN 9 2.227 -2.286 6.239 66 HG2 GLN 9 2HG GLN 9 0.907 -2.185 4.263 67 HG3 GLN 9 1HG GLN 9 2.318 -2.442 3.239 68 HE21 GLN 9 1HE2 GLN 9 3.171 -4.480 3.054 69 HE22 GLN 9 2HE2 GLN 9 2.357 -5.900 3.590 70 H ARG 10 H ARG 10 5.662 -1.374 4.898 71 HA ARG 10 HA ARG 10 5.918 -0.088 2.349 72 HB2 ARG 10 2HB ARG 10 8.289 -0.681 2.439 73 HB3 ARG 10 1HB ARG 10 7.773 0.154 3.891 74 HG2 ARG 10 2HG ARG 10 7.906 -1.769 5.195 75 HG3 ARG 10 1HG ARG 10 7.891 -2.833 3.785 76 HD2 ARG 10 2HD ARG 10 10.096 -0.923 4.520 77 HD3 ARG 10 1HD ARG 10 10.118 -2.673 4.773 78 HE ARG 10 HE ARG 10 9.667 -1.725 2.062 79 HH11 ARG 10 1HH1 ARG 10 12.059 -2.935 4.379 80 HH12 ARG 10 2HH1 ARG 10 13.082 -3.568 3.194 81 HH21 ARG 10 1HH2 ARG 10 11.089 -2.592 0.416 82 HH22 ARG 10 2HH2 ARG 10 12.524 -3.353 0.874 83 H CYS 11 H CYS 11 7.086 -1.446 0.549 84 HA CYS 11 HA CYS 11 6.027 -4.175 0.682 85 HB2 CYS 11 2HB CYS 11 5.574 -4.100 -1.711 86 HB3 CYS 11 1HB CYS 11 4.691 -2.840 -0.867 87 H ARG 12 H ARG 12 7.372 -5.736 0.320 88 HA ARG 12 HA ARG 12 10.001 -5.180 -0.846 89 HB2 ARG 12 2HB ARG 12 8.781 -7.685 0.326 90 HB3 ARG 12 1HB ARG 12 10.296 -7.724 -0.547 91 HG2 ARG 12 2HG ARG 12 10.775 -7.713 1.773 92 HG3 ARG 12 1HG ARG 12 11.225 -6.142 1.129 93 HD2 ARG 12 2HD ARG 12 9.160 -5.187 2.032 94 HD3 ARG 12 1HD ARG 12 8.699 -6.772 2.659 95 HE ARG 12 HE ARG 12 11.280 -5.949 3.515 96 HH11 ARG 12 1HH1 ARG 12 7.824 -5.651 4.306 97 HH12 ARG 12 2HH1 ARG 12 8.105 -5.293 5.944 98 HH21 ARG 12 1HH2 ARG 12 11.628 -5.402 5.747 99 HH22 ARG 12 2HH2 ARG 12 10.326 -5.179 6.795 100 H ARG 13 H ARG 13 6.975 -6.705 -1.528 101 HA ARG 13 HA ARG 13 7.384 -6.652 -4.318 102 HB2 ARG 13 2HB ARG 13 6.941 -9.100 -4.631 103 HB3 ARG 13 1HB ARG 13 8.540 -8.739 -4.019 104 HG2 ARG 13 2HG ARG 13 7.687 -9.328 -1.741 105 HG3 ARG 13 1HG ARG 13 6.172 -9.828 -2.497 106 HD2 ARG 13 2HD ARG 13 7.600 -11.763 -2.138 107 HD3 ARG 13 1HD ARG 13 7.426 -11.452 -3.864 108 HE ARG 13 HE ARG 13 9.699 -10.101 -3.112 109 HH11 ARG 13 1HH1 ARG 13 8.703 -13.518 -2.950 110 HH12 ARG 13 2HH1 ARG 13 10.294 -14.083 -3.188 111 HH21 ARG 13 1HH2 ARG 13 11.839 -10.925 -3.415 112 HH22 ARG 13 2HH2 ARG 13 12.080 -12.618 -3.448 113 H ASP 14 H ASP 14 5.353 -7.877 -5.290 114 HA ASP 14 HA ASP 14 3.115 -6.508 -4.167 115 HB2 ASP 14 2HB ASP 14 1.757 -7.412 -5.945 116 HB3 ASP 14 1HB ASP 14 3.326 -7.024 -6.630 117 H SER 15 H SER 15 4.123 -9.881 -4.142 118 HA SER 15 HA SER 15 1.908 -11.016 -2.850 119 HB2 SER 15 2HB SER 15 4.774 -11.920 -2.626 120 HB3 SER 15 1HB SER 15 3.313 -12.914 -2.635 121 HG SER 15 HG SER 15 2.972 -12.310 -4.778 122 H ASP 16 H ASP 16 4.232 -8.885 -1.720 123 HA ASP 16 HA ASP 16 4.372 -9.806 1.023 124 HB2 ASP 16 2HB ASP 16 6.397 -9.004 -0.050 125 HB3 ASP 16 1HB ASP 16 5.619 -7.488 -0.459 126 H CYS 17 H CYS 17 2.405 -7.858 -0.898 127 HA CYS 17 HA CYS 17 1.367 -6.426 1.441 128 HB2 CYS 17 2HB CYS 17 0.928 -5.788 -1.488 129 HB3 CYS 17 1HB CYS 17 0.493 -4.807 -0.098 130 HA PRO 18 HA PRO 18 -1.927 -9.368 0.478 131 HB2 PRO 18 2HB PRO 18 -3.263 -9.219 2.808 132 HB3 PRO 18 1HB PRO 18 -1.730 -10.075 2.636 133 HG2 PRO 18 2HG PRO 18 -2.301 -7.516 3.973 134 HG3 PRO 18 1HG PRO 18 -0.968 -8.659 4.205 135 HD2 PRO 18 2HD PRO 18 -0.948 -6.203 2.701 136 HD3 PRO 18 1HD PRO 18 0.378 -7.356 2.936 137 H GLY 19 H GLY 19 -3.717 -9.114 -0.600 138 HA2 GLY 19 2HA GLY 19 -5.995 -8.463 -0.823 139 HA3 GLY 19 1HA GLY 19 -5.629 -7.052 0.164 140 H ALA 20 H ALA 20 -6.353 -5.504 -1.234 141 HA ALA 20 HA ALA 20 -5.609 -5.461 -4.020 142 HB1 ALA 20 1HB ALA 20 -6.892 -3.318 -2.322 143 HB2 ALA 20 2HB ALA 20 -7.759 -4.577 -3.189 144 HB3 ALA 20 3HB ALA 20 -6.843 -3.364 -4.087 145 H CYS 21 H CYS 21 -3.657 -5.344 -1.822 146 HA CYS 21 HA CYS 21 -2.465 -2.719 -2.068 147 HB2 CYS 21 2HB CYS 21 -1.654 -5.083 -0.375 148 HB3 CYS 21 1HB CYS 21 -0.962 -3.461 -0.313 149 H ILE 22 H ILE 22 -1.116 -2.392 -3.620 150 HA ILE 22 HA ILE 22 0.451 -4.617 -4.709 151 HB ILE 22 HB ILE 22 0.631 -3.125 -6.741 152 HG12 ILE 22 2HG1 ILE 22 -1.527 -1.563 -5.288 153 HG13 ILE 22 1HG1 ILE 22 0.084 -0.983 -5.685 154 HG21 ILE 22 1HG2 ILE 22 -0.876 -5.024 -6.686 155 HG22 ILE 22 2HG2 ILE 22 -1.599 -3.686 -7.579 156 HG23 ILE 22 3HG2 ILE 22 -2.125 -4.029 -5.931 157 HD11 ILE 22 1HD1 ILE 22 -0.474 -1.123 -8.065 158 HD12 ILE 22 2HD1 ILE 22 -1.579 -0.064 -7.187 159 HD13 ILE 22 3HD1 ILE 22 -2.090 -1.690 -7.644 160 H CYS 23 H CYS 23 2.599 -3.837 -5.584 161 HA CYS 23 HA CYS 23 3.826 -2.240 -3.482 162 HB2 CYS 23 2HB CYS 23 4.802 -4.465 -4.065 163 HB3 CYS 23 1HB CYS 23 5.147 -3.863 -5.677 164 H ARG 24 H ARG 24 4.291 -0.185 -3.765 165 HA ARG 24 HA ARG 24 4.200 0.939 -6.454 166 HB2 ARG 24 2HB ARG 24 3.910 2.130 -3.704 167 HB3 ARG 24 1HB ARG 24 4.094 3.120 -5.137 168 HG2 ARG 24 2HG ARG 24 1.888 1.108 -4.796 169 HG3 ARG 24 1HG ARG 24 1.746 2.802 -4.321 170 HD2 ARG 24 2HD ARG 24 2.381 1.818 -7.109 171 HD3 ARG 24 1HD ARG 24 0.801 2.372 -6.559 172 HE ARG 24 HE ARG 24 2.855 4.309 -6.112 173 HH11 ARG 24 1HH1 ARG 24 0.766 3.038 -8.664 174 HH12 ARG 24 2HH1 ARG 24 0.712 4.491 -9.545 175 HH21 ARG 24 1HH2 ARG 24 2.773 6.310 -7.319 176 HH22 ARG 24 2HH2 ARG 24 1.863 6.405 -8.748 177 H GLY 25 H GLY 25 5.750 2.609 -6.988 178 HA2 GLY 25 2HA GLY 25 8.390 1.674 -6.715 179 HA3 GLY 25 1HA GLY 25 7.900 3.187 -7.463 180 H ASN 26 H ASN 26 6.591 3.983 -4.907 181 HA ASN 26 HA ASN 26 8.777 5.377 -3.754 182 HB2 ASN 26 2HB ASN 26 7.198 6.317 -2.189 183 HB3 ASN 26 1HB ASN 26 6.419 6.224 -3.760 184 HD21 ASN 26 1HD2 ASN 26 5.185 6.446 -1.188 185 HD22 ASN 26 2HD2 ASN 26 4.160 5.069 -1.013 186 H GLY 27 H GLY 27 7.582 2.238 -3.287 187 HA2 GLY 27 2HA GLY 27 8.958 0.693 -2.157 188 HA3 GLY 27 1HA GLY 27 9.375 1.944 -1.000 189 H TYR 28 H TYR 28 6.167 2.265 -1.559 190 HA TYR 28 HA TYR 28 5.595 0.533 0.701 191 HB2 TYR 28 2HB TYR 28 4.392 3.221 0.052 192 HB3 TYR 28 1HB TYR 28 3.741 2.139 1.281 193 HD1 TYR 28 1HD TYR 28 5.025 1.713 3.335 194 HD2 TYR 28 2HD TYR 28 6.379 4.497 0.431 195 HE1 TYR 28 1HE TYR 28 6.576 2.662 4.985 196 HE2 TYR 28 2HE TYR 28 7.933 5.454 2.059 197 HH TYR 28 HH TYR 28 8.054 5.603 4.611 198 H CYS 29 H CYS 29 3.281 -0.068 0.891 199 HA CYS 29 HA CYS 29 2.578 -1.350 -1.576 200 HB2 CYS 29 2HB CYS 29 1.196 -1.391 1.116 201 HB3 CYS 29 1HB CYS 29 0.774 -2.399 -0.259 202 H GLY 30 H GLY 30 0.086 -1.476 -1.923 203 HA2 GLY 30 2HA GLY 30 -1.030 0.678 -3.099 204 HA3 GLY 30 1HA GLY 30 -2.017 -0.536 -2.302 205 H TYR 31 H TYR 31 -2.404 2.286 -2.632 206 HA TYR 31 HA TYR 31 -1.637 3.731 -0.389 207 HB2 TYR 31 2HB TYR 31 -3.667 4.289 -2.526 208 HB3 TYR 31 1HB TYR 31 -3.262 5.441 -1.255 209 HD1 TYR 31 1HD TYR 31 -1.023 6.445 -1.146 210 HD2 TYR 31 2HD TYR 31 -2.104 3.856 -4.341 211 HE1 TYR 31 1HE TYR 31 0.910 7.224 -2.419 212 HE2 TYR 31 2HE TYR 31 -0.165 4.629 -5.626 213 HH TYR 31 HH TYR 31 2.337 6.491 -4.228 214 HA PRO 32 HA PRO 32 -4.468 2.071 2.596 215 HB2 PRO 32 2HB PRO 32 -3.516 4.383 4.171 216 HB3 PRO 32 1HB PRO 32 -3.498 2.663 4.567 217 HG2 PRO 32 2HG PRO 32 -1.261 3.937 3.909 218 HG3 PRO 32 1HG PRO 32 -1.562 2.274 3.373 219 HD2 PRO 32 2HD PRO 32 -1.787 4.827 1.827 220 HD3 PRO 32 1HD PRO 32 -1.154 3.228 1.356 221 H TYR 33 H TYR 33 -5.867 3.090 4.281 222 HA TYR 33 HA TYR 33 -8.172 4.123 3.249 223 HB2 TYR 33 2HB TYR 33 -8.755 4.601 5.665 224 HB3 TYR 33 1HB TYR 33 -8.227 2.961 5.272 225 HD1 TYR 33 1HD TYR 33 -7.226 6.113 6.932 226 HD2 TYR 33 2HD TYR 33 -6.230 2.033 6.222 227 HE1 TYR 33 1HE TYR 33 -5.493 6.240 8.637 228 HE2 TYR 33 2HE TYR 33 -4.503 2.148 7.918 229 HH TYR 33 HH TYR 33 -3.087 3.889 8.976 230 H ASP 34 H ASP 34 -5.487 5.896 4.527 231 HA ASP 34 HA ASP 34 -6.953 8.363 4.739 232 HB2 ASP 34 2HB ASP 34 -4.947 9.384 5.513 233 HB3 ASP 34 1HB ASP 34 -5.031 7.790 6.238 234 H VAL 35 H VAL 35 -5.778 6.750 2.132 235 HA VAL 35 HA VAL 35 -5.417 9.239 0.633 236 HB VAL 35 HB VAL 35 -4.321 6.484 0.040 237 HG11 VAL 35 1HG1 VAL 35 -4.860 7.590 -2.037 238 HG12 VAL 35 2HG1 VAL 35 -3.105 7.600 -1.831 239 HG13 VAL 35 3HG1 VAL 35 -4.050 9.058 -1.507 240 HG21 VAL 35 1HG2 VAL 35 -3.118 7.598 1.827 241 HG22 VAL 35 2HG2 VAL 35 -2.901 9.028 0.818 242 HG23 VAL 35 3HG2 VAL 35 -2.113 7.513 0.380 243 HA PRO 36 HA PRO 36 -9.255 7.395 -1.102 244 HB2 PRO 36 2HB PRO 36 -10.458 10.000 -1.026 245 HB3 PRO 36 1HB PRO 36 -10.853 8.602 -0.028 246 HG2 PRO 36 2HG PRO 36 -9.708 10.925 0.929 247 HG3 PRO 36 1HG PRO 36 -9.591 9.347 1.724 248 HD2 PRO 36 2HD PRO 36 -7.598 10.736 -0.033 249 HD3 PRO 36 1HD PRO 36 -7.334 9.784 1.447 250 H ASP 37 H ASP 37 -7.106 9.864 -1.969 251 HA ASP 37 HA ASP 37 -8.337 10.738 -4.384 252 HB2 ASP 37 2HB ASP 37 -6.234 11.893 -4.866 253 HB3 ASP 37 1HB ASP 37 -6.730 12.172 -3.205 254 H TYR 38 H TYR 38 -6.423 8.038 -3.575 255 HA TYR 38 HA TYR 38 -5.901 7.463 -6.383 256 HB2 TYR 38 2HB TYR 38 -4.095 7.005 -4.706 257 HB3 TYR 38 1HB TYR 38 -5.169 5.880 -3.889 258 HD1 TYR 38 1HD TYR 38 -3.460 6.473 -7.154 259 HD2 TYR 38 2HD TYR 38 -5.179 3.605 -4.521 260 HE1 TYR 38 1HE TYR 38 -2.609 4.666 -8.576 261 HE2 TYR 38 2HE TYR 38 -4.332 1.796 -5.933 262 HH TYR 38 HH TYR 38 -2.036 2.201 -8.402 263 H ALA 39 H ALA 39 -6.796 5.485 -7.317 264 HA ALA 39 HA ALA 39 -9.110 4.518 -5.889 265 HB1 ALA 39 1HB ALA 39 -9.044 5.377 -8.779 266 HB2 ALA 39 2HB ALA 39 -9.882 6.209 -7.467 267 HB3 ALA 39 3HB ALA 39 -10.405 4.602 -7.970 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -7.756 1.623 -7.858 2 HA2 GLY 1 2HA GLY 1 -9.544 -0.060 -6.935 3 HA3 GLY 1 1HA GLY 1 -8.653 -1.160 -7.976 4 H GLY 2 H GLY 2 -6.233 0.685 -7.217 5 HA2 GLY 2 2HA GLY 2 -5.319 -1.097 -5.154 6 HA3 GLY 2 1HA GLY 2 -4.389 0.160 -5.956 7 H VAL 3 H VAL 3 -7.021 -0.281 -3.683 8 HA VAL 3 HA VAL 3 -5.823 1.653 -1.866 9 HB VAL 3 HB VAL 3 -8.793 1.673 -2.624 10 HG11 VAL 3 1HG1 VAL 3 -7.349 3.343 -0.560 11 HG12 VAL 3 2HG1 VAL 3 -8.505 2.056 -0.227 12 HG13 VAL 3 3HG1 VAL 3 -9.039 3.532 -1.033 13 HG21 VAL 3 1HG2 VAL 3 -7.468 2.857 -4.257 14 HG22 VAL 3 2HG2 VAL 3 -6.681 3.791 -2.986 15 HG23 VAL 3 3HG2 VAL 3 -8.402 4.016 -3.305 16 H CYS 4 H CYS 4 -6.169 1.056 0.271 17 HA CYS 4 HA CYS 4 -7.680 -1.400 0.714 18 HB2 CYS 4 2HB CYS 4 -4.861 -0.914 1.708 19 HB3 CYS 4 1HB CYS 4 -5.837 -2.340 2.011 20 HA PRO 5 HA PRO 5 -9.281 0.895 4.098 21 HB2 PRO 5 2HB PRO 5 -9.985 -1.068 5.838 22 HB3 PRO 5 1HB PRO 5 -10.869 -0.722 4.346 23 HG2 PRO 5 2HG PRO 5 -8.816 -2.826 4.888 24 HG3 PRO 5 1HG PRO 5 -10.349 -2.966 4.009 25 HD2 PRO 5 2HD PRO 5 -7.987 -2.738 2.736 26 HD3 PRO 5 1HD PRO 5 -9.479 -2.035 2.091 27 H LYS 6 H LYS 6 -6.694 -1.368 4.941 28 HA LYS 6 HA LYS 6 -6.357 -0.240 7.578 29 HB2 LYS 6 2HB LYS 6 -4.669 -2.191 6.017 30 HB3 LYS 6 1HB LYS 6 -4.258 -1.657 7.634 31 HG2 LYS 6 2HG LYS 6 -6.399 -2.604 8.438 32 HG3 LYS 6 1HG LYS 6 -6.702 -3.212 6.811 33 HD2 LYS 6 2HD LYS 6 -4.664 -4.549 6.924 34 HD3 LYS 6 1HD LYS 6 -4.316 -3.904 8.526 35 HE2 LYS 6 2HE LYS 6 -6.421 -4.904 9.352 36 HE3 LYS 6 1HE LYS 6 -6.702 -5.585 7.756 37 HZ1 LYS 6 1HZ LYS 6 -4.480 -6.254 9.607 38 HZ2 LYS 6 2HZ LYS 6 -4.577 -6.793 8.014 39 HZ3 LYS 6 3HZ LYS 6 -5.753 -7.253 9.123 40 H ILE 7 H ILE 7 -3.741 0.114 8.003 41 HA ILE 7 HA ILE 7 -3.240 2.578 6.562 42 HB ILE 7 HB ILE 7 -3.023 2.570 9.033 43 HG12 ILE 7 2HG1 ILE 7 -0.378 3.021 7.616 44 HG13 ILE 7 1HG1 ILE 7 -1.683 4.188 7.752 45 HG21 ILE 7 1HG2 ILE 7 -2.282 0.283 9.391 46 HG22 ILE 7 2HG2 ILE 7 -1.145 1.410 10.135 47 HG23 ILE 7 3HG2 ILE 7 -0.745 0.639 8.601 48 HD11 ILE 7 1HD1 ILE 7 0.112 4.694 9.297 49 HD12 ILE 7 2HD1 ILE 7 -0.036 3.090 10.019 50 HD13 ILE 7 3HD1 ILE 7 -1.354 4.252 10.177 51 H LEU 8 H LEU 8 -1.376 3.000 5.459 52 HA LEU 8 HA LEU 8 -0.390 1.160 3.727 53 HB2 LEU 8 2HB LEU 8 1.465 2.807 3.267 54 HB3 LEU 8 1HB LEU 8 -0.174 3.385 3.100 55 HG LEU 8 HG LEU 8 0.085 4.456 5.385 56 HD11 LEU 8 1HD1 LEU 8 1.978 3.196 6.222 57 HD12 LEU 8 2HD1 LEU 8 2.326 4.925 6.192 58 HD13 LEU 8 3HD1 LEU 8 3.004 3.867 4.953 59 HD21 LEU 8 1HD2 LEU 8 1.337 6.365 4.513 60 HD22 LEU 8 2HD2 LEU 8 0.170 5.743 3.346 61 HD23 LEU 8 3HD2 LEU 8 1.886 5.377 3.160 62 H GLN 9 H GLN 9 1.574 0.197 3.323 63 HA GLN 9 HA GLN 9 3.292 -0.362 5.585 64 HB2 GLN 9 2HB GLN 9 1.500 -2.069 5.643 65 HB3 GLN 9 1HB GLN 9 1.820 -2.457 3.963 66 HG2 GLN 9 2HG GLN 9 4.100 -3.172 4.617 67 HG3 GLN 9 1HG GLN 9 3.657 -2.888 6.299 68 HE21 GLN 9 1HE2 GLN 9 3.992 -5.037 6.799 69 HE22 GLN 9 2HE2 GLN 9 2.887 -6.274 6.291 70 H ARG 10 H ARG 10 5.300 -1.196 4.846 71 HA ARG 10 HA ARG 10 5.956 -0.467 2.117 72 HB2 ARG 10 2HB ARG 10 7.243 0.303 4.082 73 HB3 ARG 10 1HB ARG 10 7.741 -1.362 4.406 74 HG2 ARG 10 2HG ARG 10 8.398 0.091 1.855 75 HG3 ARG 10 1HG ARG 10 9.379 0.292 3.297 76 HD2 ARG 10 2HD ARG 10 8.826 -2.306 1.870 77 HD3 ARG 10 1HD ARG 10 10.302 -1.351 1.758 78 HE ARG 10 HE ARG 10 9.789 -1.958 4.450 79 HH11 ARG 10 1HH1 ARG 10 10.755 -3.591 1.457 80 HH12 ARG 10 2HH1 ARG 10 11.725 -4.759 2.226 81 HH21 ARG 10 1HH2 ARG 10 11.112 -3.546 5.518 82 HH22 ARG 10 2HH2 ARG 10 11.957 -4.719 4.620 83 H CYS 11 H CYS 11 7.191 -1.984 0.897 84 HA CYS 11 HA CYS 11 6.158 -4.743 1.356 85 HB2 CYS 11 2HB CYS 11 5.686 -4.981 -0.948 86 HB3 CYS 11 1HB CYS 11 5.071 -3.392 -0.508 87 H ARG 12 H ARG 12 7.489 -6.454 0.874 88 HA ARG 12 HA ARG 12 10.249 -5.826 0.141 89 HB2 ARG 12 2HB ARG 12 10.795 -8.104 0.719 90 HB3 ARG 12 1HB ARG 12 9.713 -7.502 1.960 91 HG2 ARG 12 2HG ARG 12 7.870 -8.625 0.528 92 HG3 ARG 12 1HG ARG 12 9.218 -9.535 -0.159 93 HD2 ARG 12 2HD ARG 12 8.274 -10.747 1.648 94 HD3 ARG 12 1HD ARG 12 9.886 -10.167 2.131 95 HE ARG 12 HE ARG 12 7.429 -8.718 2.843 96 HH11 ARG 12 1HH1 ARG 12 10.313 -10.456 3.954 97 HH12 ARG 12 2HH1 ARG 12 10.221 -9.834 5.543 98 HH21 ARG 12 1HH2 ARG 12 7.352 -7.867 5.025 99 HH22 ARG 12 2HH2 ARG 12 8.537 -8.369 6.162 100 H ARG 13 H ARG 13 7.346 -7.103 -1.112 101 HA ARG 13 HA ARG 13 8.162 -6.638 -3.792 102 HB2 ARG 13 2HB ARG 13 7.453 -8.883 -4.654 103 HB3 ARG 13 1HB ARG 13 8.943 -8.928 -3.754 104 HG2 ARG 13 2HG ARG 13 7.663 -9.777 -1.795 105 HG3 ARG 13 1HG ARG 13 6.220 -9.812 -2.811 106 HD2 ARG 13 2HD ARG 13 7.298 -11.395 -4.322 107 HD3 ARG 13 1HD ARG 13 8.777 -11.322 -3.364 108 HE ARG 13 HE ARG 13 6.404 -12.106 -1.928 109 HH11 ARG 13 1HH1 ARG 13 9.205 -13.290 -3.717 110 HH12 ARG 13 2HH1 ARG 13 9.196 -14.837 -3.012 111 HH21 ARG 13 1HH2 ARG 13 6.390 -14.187 -0.936 112 HH22 ARG 13 2HH2 ARG 13 7.541 -15.357 -1.370 113 H ASP 14 H ASP 14 6.139 -7.330 -5.225 114 HA ASP 14 HA ASP 14 4.035 -5.603 -4.279 115 HB2 ASP 14 2HB ASP 14 4.621 -5.928 -6.685 116 HB3 ASP 14 1HB ASP 14 3.891 -7.525 -6.589 117 H SER 15 H SER 15 4.182 -9.086 -4.728 118 HA SER 15 HA SER 15 1.519 -9.601 -3.926 119 HB2 SER 15 2HB SER 15 2.952 -11.116 -5.326 120 HB3 SER 15 1HB SER 15 3.886 -11.494 -3.884 121 HG SER 15 HG SER 15 2.453 -13.051 -3.936 122 H ASP 16 H ASP 16 4.241 -8.727 -2.233 123 HA ASP 16 HA ASP 16 3.727 -10.055 0.244 124 HB2 ASP 16 2HB ASP 16 5.975 -9.414 -0.260 125 HB3 ASP 16 1HB ASP 16 5.503 -7.744 -0.509 126 H CYS 17 H CYS 17 2.605 -7.187 -1.317 127 HA CYS 17 HA CYS 17 1.590 -5.939 1.031 128 HB2 CYS 17 2HB CYS 17 0.719 -5.651 -1.854 129 HB3 CYS 17 1HB CYS 17 0.343 -4.553 -0.529 130 HA PRO 18 HA PRO 18 -1.490 -9.221 1.368 131 HB2 PRO 18 2HB PRO 18 -2.507 -7.693 3.654 132 HB3 PRO 18 1HB PRO 18 -1.820 -9.315 3.615 133 HG2 PRO 18 2HG PRO 18 -0.510 -7.248 4.703 134 HG3 PRO 18 1HG PRO 18 0.335 -8.553 3.849 135 HD2 PRO 18 2HD PRO 18 -0.365 -5.803 2.903 136 HD3 PRO 18 1HD PRO 18 1.135 -6.744 2.700 137 H GLY 19 H GLY 19 -3.461 -9.439 0.592 138 HA2 GLY 19 2HA GLY 19 -5.666 -8.919 0.084 139 HA3 GLY 19 1HA GLY 19 -5.405 -7.315 0.765 140 H ALA 20 H ALA 20 -6.453 -6.398 -1.033 141 HA ALA 20 HA ALA 20 -5.453 -6.811 -3.704 142 HB1 ALA 20 1HB ALA 20 -7.399 -4.771 -2.635 143 HB2 ALA 20 2HB ALA 20 -7.821 -6.371 -3.238 144 HB3 ALA 20 3HB ALA 20 -7.137 -5.168 -4.334 145 H CYS 21 H CYS 21 -3.616 -5.759 -1.711 146 HA CYS 21 HA CYS 21 -3.255 -2.972 -2.482 147 HB2 CYS 21 2HB CYS 21 -1.605 -4.571 -0.531 148 HB3 CYS 21 1HB CYS 21 -1.625 -2.834 -0.719 149 H ILE 22 H ILE 22 -1.739 -2.346 -3.840 150 HA ILE 22 HA ILE 22 0.197 -4.317 -4.918 151 HB ILE 22 HB ILE 22 0.178 -2.748 -6.923 152 HG12 ILE 22 2HG1 ILE 22 -2.253 -1.648 -5.476 153 HG13 ILE 22 1HG1 ILE 22 -0.767 -0.781 -5.827 154 HG21 ILE 22 1HG2 ILE 22 -0.977 -4.887 -6.999 155 HG22 ILE 22 2HG2 ILE 22 -1.912 -3.663 -7.860 156 HG23 ILE 22 3HG2 ILE 22 -2.399 -4.168 -6.242 157 HD11 ILE 22 1HD1 ILE 22 -2.763 -1.787 -7.832 158 HD12 ILE 22 2HD1 ILE 22 -1.271 -0.923 -8.207 159 HD13 ILE 22 3HD1 ILE 22 -2.553 -0.118 -7.302 160 H CYS 23 H CYS 23 2.333 -3.623 -5.170 161 HA CYS 23 HA CYS 23 2.943 -1.380 -3.400 162 HB2 CYS 23 2HB CYS 23 4.122 -3.598 -3.066 163 HB3 CYS 23 1HB CYS 23 4.947 -3.303 -4.596 164 H ARG 24 H ARG 24 4.318 0.313 -3.985 165 HA ARG 24 HA ARG 24 4.631 0.557 -6.869 166 HB2 ARG 24 2HB ARG 24 3.706 2.679 -4.937 167 HB3 ARG 24 1HB ARG 24 4.338 3.076 -6.530 168 HG2 ARG 24 2HG ARG 24 1.972 1.277 -6.029 169 HG3 ARG 24 1HG ARG 24 1.845 2.972 -6.494 170 HD2 ARG 24 2HD ARG 24 3.032 2.496 -8.581 171 HD3 ARG 24 1HD ARG 24 3.259 0.823 -8.109 172 HE ARG 24 HE ARG 24 0.797 2.098 -8.988 173 HH11 ARG 24 1HH1 ARG 24 2.413 -0.878 -7.868 174 HH12 ARG 24 2HH1 ARG 24 1.415 -1.922 -8.753 175 HH21 ARG 24 1HH2 ARG 24 -0.500 0.657 -10.226 176 HH22 ARG 24 2HH2 ARG 24 -0.329 -1.050 -10.138 177 H GLY 25 H GLY 25 6.235 2.360 -7.436 178 HA2 GLY 25 2HA GLY 25 8.738 1.340 -6.819 179 HA3 GLY 25 1HA GLY 25 8.430 2.875 -7.601 180 H ASN 26 H ASN 26 6.997 3.745 -5.105 181 HA ASN 26 HA ASN 26 9.248 4.911 -3.814 182 HB2 ASN 26 2HB ASN 26 7.672 5.965 -2.264 183 HB3 ASN 26 1HB ASN 26 7.091 6.115 -3.914 184 HD21 ASN 26 1HD2 ASN 26 5.167 5.093 -4.495 185 HD22 ASN 26 2HD2 ASN 26 4.140 4.363 -3.324 186 H GLY 27 H GLY 27 7.574 1.944 -3.345 187 HA2 GLY 27 2HA GLY 27 8.768 0.270 -2.081 188 HA3 GLY 27 1HA GLY 27 9.177 1.525 -0.921 189 H TYR 28 H TYR 28 6.171 2.346 -1.458 190 HA TYR 28 HA TYR 28 5.228 0.550 0.619 191 HB2 TYR 28 2HB TYR 28 4.559 3.429 0.088 192 HB3 TYR 28 1HB TYR 28 3.526 2.410 1.084 193 HD1 TYR 28 1HD TYR 28 7.020 3.692 0.800 194 HD2 TYR 28 2HD TYR 28 4.025 2.057 3.332 195 HE1 TYR 28 1HE TYR 28 8.445 4.117 2.753 196 HE2 TYR 28 2HE TYR 28 5.435 2.476 5.288 197 HH TYR 28 HH TYR 28 7.792 2.761 5.798 198 H CYS 29 H CYS 29 3.135 -0.089 0.705 199 HA CYS 29 HA CYS 29 2.093 -0.892 -1.845 200 HB2 CYS 29 2HB CYS 29 1.063 -1.401 0.932 201 HB3 CYS 29 1HB CYS 29 0.582 -2.258 -0.532 202 H GLY 30 H GLY 30 0.037 -0.497 -2.587 203 HA2 GLY 30 2HA GLY 30 -0.903 2.155 -2.189 204 HA3 GLY 30 1HA GLY 30 -1.574 0.947 -3.269 205 H TYR 31 H TYR 31 -1.294 1.619 0.142 206 HA TYR 31 HA TYR 31 -3.948 0.627 0.622 207 HB2 TYR 31 2HB TYR 31 -1.903 1.876 2.475 208 HB3 TYR 31 1HB TYR 31 -3.551 1.571 2.988 209 HD1 TYR 31 1HD TYR 31 -0.503 -0.146 1.695 210 HD2 TYR 31 2HD TYR 31 -4.151 -0.508 3.827 211 HE1 TYR 31 1HE TYR 31 0.118 -2.455 2.396 212 HE2 TYR 31 2HE TYR 31 -3.546 -2.787 4.501 213 HH TYR 31 HH TYR 31 -2.112 -4.588 3.716 214 HA PRO 32 HA PRO 32 -4.856 5.346 1.114 215 HB2 PRO 32 2HB PRO 32 -2.676 6.795 -0.188 216 HB3 PRO 32 1HB PRO 32 -3.340 7.003 1.435 217 HG2 PRO 32 2HG PRO 32 -0.882 5.994 1.018 218 HG3 PRO 32 1HG PRO 32 -1.906 5.462 2.362 219 HD2 PRO 32 2HD PRO 32 -1.455 4.148 -0.296 220 HD3 PRO 32 1HD PRO 32 -1.447 3.424 1.320 221 H TYR 33 H TYR 33 -5.209 7.260 -0.504 222 HA TYR 33 HA TYR 33 -6.332 6.010 -2.868 223 HB2 TYR 33 2HB TYR 33 -6.742 8.707 -1.605 224 HB3 TYR 33 1HB TYR 33 -7.540 8.177 -3.076 225 HD1 TYR 33 1HD TYR 33 -7.223 7.531 0.566 226 HD2 TYR 33 2HD TYR 33 -9.458 6.785 -2.969 227 HE1 TYR 33 1HE TYR 33 -9.010 6.541 1.912 228 HE2 TYR 33 2HE TYR 33 -11.255 5.793 -1.634 229 HH TYR 33 HH TYR 33 -11.550 4.744 0.558 230 H ASP 34 H ASP 34 -3.594 7.820 -2.164 231 HA ASP 34 HA ASP 34 -3.586 9.618 -4.380 232 HB2 ASP 34 2HB ASP 34 -1.329 10.232 -3.785 233 HB3 ASP 34 1HB ASP 34 -2.307 10.092 -2.333 234 H VAL 35 H VAL 35 -3.300 6.405 -4.593 235 HA VAL 35 HA VAL 35 -1.451 6.558 -6.842 236 HB VAL 35 HB VAL 35 -1.372 4.008 -6.686 237 HG11 VAL 35 1HG1 VAL 35 0.207 4.021 -4.804 238 HG12 VAL 35 2HG1 VAL 35 -0.436 5.582 -4.290 239 HG13 VAL 35 3HG1 VAL 35 0.413 5.445 -5.827 240 HG21 VAL 35 1HG2 VAL 35 -3.407 3.668 -5.352 241 HG22 VAL 35 2HG2 VAL 35 -2.671 4.533 -4.004 242 HG23 VAL 35 3HG2 VAL 35 -1.997 2.993 -4.537 243 HA PRO 36 HA PRO 36 -5.473 6.115 -8.923 244 HB2 PRO 36 2HB PRO 36 -4.795 8.011 -10.870 245 HB3 PRO 36 1HB PRO 36 -5.739 8.289 -9.410 246 HG2 PRO 36 2HG PRO 36 -3.190 9.350 -9.968 247 HG3 PRO 36 1HG PRO 36 -4.029 9.380 -8.412 248 HD2 PRO 36 2HD PRO 36 -1.907 7.546 -9.390 249 HD3 PRO 36 1HD PRO 36 -2.223 8.151 -7.744 250 H ASP 37 H ASP 37 -2.305 5.556 -9.983 251 HA ASP 37 HA ASP 37 -2.645 5.151 -12.733 252 HB2 ASP 37 2HB ASP 37 -0.542 3.996 -12.786 253 HB3 ASP 37 1HB ASP 37 -0.409 5.277 -11.596 254 H TYR 38 H TYR 38 -3.355 3.029 -10.079 255 HA TYR 38 HA TYR 38 -4.612 1.235 -12.015 256 HB2 TYR 38 2HB TYR 38 -2.624 0.118 -10.968 257 HB3 TYR 38 1HB TYR 38 -3.350 0.387 -9.390 258 HD1 TYR 38 1HD TYR 38 -3.580 -1.538 -12.513 259 HD2 TYR 38 2HD TYR 38 -5.196 -1.012 -8.610 260 HE1 TYR 38 1HE TYR 38 -4.778 -3.671 -12.725 261 HE2 TYR 38 2HE TYR 38 -6.392 -3.144 -8.809 262 HH TYR 38 HH TYR 38 -7.287 -4.567 -10.767 263 H ALA 39 H ALA 39 -6.668 1.661 -11.844 264 HA ALA 39 HA ALA 39 -7.823 2.833 -9.542 265 HB1 ALA 39 1HB ALA 39 -9.144 1.666 -11.992 266 HB2 ALA 39 2HB ALA 39 -8.635 3.343 -11.791 267 HB3 ALA 39 3HB ALA 39 -9.926 2.688 -10.786 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -5.664 3.456 -6.680 2 HA2 GLY 1 2HA GLY 1 -7.405 2.624 -8.843 3 HA3 GLY 1 1HA GLY 1 -6.022 1.583 -8.490 4 H GLY 2 H GLY 2 -5.842 0.647 -6.439 5 HA2 GLY 2 2HA GLY 2 -8.394 0.079 -5.249 6 HA3 GLY 2 1HA GLY 2 -6.843 -0.661 -4.853 7 H VAL 3 H VAL 3 -8.743 0.309 -3.011 8 HA VAL 3 HA VAL 3 -6.995 2.206 -1.700 9 HB VAL 3 HB VAL 3 -8.891 3.539 -2.438 10 HG11 VAL 3 1HG1 VAL 3 -10.524 1.815 -2.802 11 HG12 VAL 3 2HG1 VAL 3 -11.190 3.104 -1.800 12 HG13 VAL 3 3HG1 VAL 3 -10.690 1.579 -1.063 13 HG21 VAL 3 1HG2 VAL 3 -9.122 2.951 0.506 14 HG22 VAL 3 2HG2 VAL 3 -9.741 4.396 -0.294 15 HG23 VAL 3 3HG2 VAL 3 -8.005 4.091 -0.243 16 H CYS 4 H CYS 4 -6.091 1.094 -0.227 17 HA CYS 4 HA CYS 4 -7.406 -1.246 0.846 18 HB2 CYS 4 2HB CYS 4 -4.626 -0.232 1.253 19 HB3 CYS 4 1HB CYS 4 -5.247 -1.786 1.757 20 HA PRO 5 HA PRO 5 -8.233 0.757 4.711 21 HB2 PRO 5 2HB PRO 5 -9.073 -1.350 6.085 22 HB3 PRO 5 1HB PRO 5 -9.995 -0.747 4.704 23 HG2 PRO 5 2HG PRO 5 -8.093 -3.061 4.822 24 HG3 PRO 5 1HG PRO 5 -9.707 -2.983 4.091 25 HD2 PRO 5 2HD PRO 5 -7.396 -2.697 2.670 26 HD3 PRO 5 1HD PRO 5 -8.934 -1.945 2.200 27 H LYS 6 H LYS 6 -5.747 -1.419 4.139 28 HA LYS 6 HA LYS 6 -4.880 -2.050 6.773 29 HB2 LYS 6 2HB LYS 6 -3.235 -2.061 4.247 30 HB3 LYS 6 1HB LYS 6 -2.875 -2.918 5.730 31 HG2 LYS 6 2HG LYS 6 -5.167 -3.465 3.847 32 HG3 LYS 6 1HG LYS 6 -3.714 -4.437 4.042 33 HD2 LYS 6 2HD LYS 6 -5.839 -3.969 6.142 34 HD3 LYS 6 1HD LYS 6 -5.627 -5.431 5.184 35 HE2 LYS 6 2HE LYS 6 -3.389 -5.732 6.195 36 HE3 LYS 6 1HE LYS 6 -3.673 -4.297 7.181 37 HZ1 LYS 6 1HZ LYS 6 -5.565 -5.425 8.188 38 HZ2 LYS 6 2HZ LYS 6 -4.159 -6.308 8.408 39 HZ3 LYS 6 3HZ LYS 6 -5.272 -6.782 7.235 40 H ILE 7 H ILE 7 -2.736 -1.434 7.605 41 HA ILE 7 HA ILE 7 -2.360 1.439 7.470 42 HB ILE 7 HB ILE 7 -2.413 0.301 9.688 43 HG12 ILE 7 2HG1 ILE 7 -0.354 1.272 10.684 44 HG13 ILE 7 1HG1 ILE 7 0.296 1.502 9.065 45 HG21 ILE 7 1HG2 ILE 7 -0.552 -1.113 10.433 46 HG22 ILE 7 2HG2 ILE 7 0.096 -1.092 8.792 47 HG23 ILE 7 3HG2 ILE 7 -1.472 -1.831 9.112 48 HD11 ILE 7 1HD1 ILE 7 -1.515 3.057 8.563 49 HD12 ILE 7 2HD1 ILE 7 -0.590 3.562 9.973 50 HD13 ILE 7 3HD1 ILE 7 -2.173 2.813 10.180 51 H LEU 8 H LEU 8 -0.257 2.355 7.081 52 HA LEU 8 HA LEU 8 0.977 1.530 4.742 53 HB2 LEU 8 2HB LEU 8 2.067 3.319 6.902 54 HB3 LEU 8 1HB LEU 8 2.753 3.157 5.300 55 HG LEU 8 HG LEU 8 0.008 4.251 5.933 56 HD11 LEU 8 1HD1 LEU 8 1.801 5.755 6.615 57 HD12 LEU 8 2HD1 LEU 8 0.944 6.384 5.209 58 HD13 LEU 8 3HD1 LEU 8 2.525 5.628 5.012 59 HD21 LEU 8 1HD2 LEU 8 0.025 3.139 3.774 60 HD22 LEU 8 2HD2 LEU 8 1.494 3.998 3.320 61 HD23 LEU 8 3HD2 LEU 8 -0.009 4.889 3.553 62 H GLN 9 H GLN 9 2.528 0.182 4.212 63 HA GLN 9 HA GLN 9 4.536 -0.666 6.104 64 HB2 GLN 9 2HB GLN 9 2.638 -2.336 6.271 65 HB3 GLN 9 1HB GLN 9 2.831 -2.654 4.552 66 HG2 GLN 9 2HG GLN 9 5.171 -3.359 5.014 67 HG3 GLN 9 1HG GLN 9 4.844 -3.169 6.730 68 HE21 GLN 9 1HE2 GLN 9 2.070 -4.257 6.385 69 HE22 GLN 9 2HE2 GLN 9 2.291 -5.952 6.207 70 H ARG 10 H ARG 10 6.407 -1.222 5.002 71 HA ARG 10 HA ARG 10 6.657 -0.236 2.344 72 HB2 ARG 10 2HB ARG 10 8.578 -1.834 4.036 73 HB3 ARG 10 1HB ARG 10 8.988 -1.060 2.515 74 HG2 ARG 10 2HG ARG 10 8.483 1.133 3.539 75 HG3 ARG 10 1HG ARG 10 8.175 0.311 5.071 76 HD2 ARG 10 2HD ARG 10 10.428 1.183 5.056 77 HD3 ARG 10 1HD ARG 10 10.479 -0.574 5.027 78 HE ARG 10 HE ARG 10 10.699 0.970 2.552 79 HH11 ARG 10 1HH1 ARG 10 12.111 -1.424 4.777 80 HH12 ARG 10 2HH1 ARG 10 13.457 -1.754 3.782 81 HH21 ARG 10 1HH2 ARG 10 12.576 0.506 1.209 82 HH22 ARG 10 2HH2 ARG 10 13.740 -0.620 1.747 83 H CYS 11 H CYS 11 7.393 -1.636 0.512 84 HA CYS 11 HA CYS 11 6.411 -4.374 0.885 85 HB2 CYS 11 2HB CYS 11 5.665 -4.333 -1.474 86 HB3 CYS 11 1HB CYS 11 4.801 -3.200 -0.444 87 H ARG 12 H ARG 12 7.718 -5.911 0.395 88 HA ARG 12 HA ARG 12 10.195 -5.249 -0.974 89 HB2 ARG 12 2HB ARG 12 10.851 -7.619 -0.504 90 HB3 ARG 12 1HB ARG 12 10.463 -6.693 0.935 91 HG2 ARG 12 2HG ARG 12 8.226 -7.744 0.942 92 HG3 ARG 12 1HG ARG 12 8.732 -8.730 -0.432 93 HD2 ARG 12 2HD ARG 12 10.474 -9.697 0.838 94 HD3 ARG 12 1HD ARG 12 10.131 -8.626 2.205 95 HE ARG 12 HE ARG 12 7.797 -9.972 1.728 96 HH11 ARG 12 1HH1 ARG 12 11.109 -10.933 2.463 97 HH12 ARG 12 2HH1 ARG 12 10.668 -12.329 3.330 98 HH21 ARG 12 1HH2 ARG 12 7.179 -11.894 2.979 99 HH22 ARG 12 2HH2 ARG 12 8.406 -12.874 3.640 100 H ARG 13 H ARG 13 7.270 -6.984 -1.485 101 HA ARG 13 HA ARG 13 7.593 -6.661 -4.309 102 HB2 ARG 13 2HB ARG 13 7.049 -9.025 -4.867 103 HB3 ARG 13 1HB ARG 13 8.631 -8.802 -4.175 104 HG2 ARG 13 2HG ARG 13 7.744 -9.594 -1.997 105 HG3 ARG 13 1HG ARG 13 6.196 -9.907 -2.787 106 HD2 ARG 13 2HD ARG 13 7.625 -11.929 -2.611 107 HD3 ARG 13 1HD ARG 13 7.231 -11.503 -4.278 108 HE ARG 13 HE ARG 13 9.610 -10.245 -3.722 109 HH11 ARG 13 1HH1 ARG 13 8.570 -13.614 -3.722 110 HH12 ARG 13 2HH1 ARG 13 10.068 -14.212 -4.261 111 HH21 ARG 13 1HH2 ARG 13 11.625 -11.024 -4.410 112 HH22 ARG 13 2HH2 ARG 13 11.881 -12.683 -4.663 113 H ASP 14 H ASP 14 5.503 -7.805 -5.375 114 HA ASP 14 HA ASP 14 3.385 -6.236 -4.261 115 HB2 ASP 14 2HB ASP 14 3.468 -8.038 -6.676 116 HB3 ASP 14 1HB ASP 14 2.012 -7.182 -6.179 117 H SER 15 H SER 15 4.004 -9.672 -4.482 118 HA SER 15 HA SER 15 1.583 -10.555 -3.341 119 HB2 SER 15 2HB SER 15 4.319 -11.845 -3.267 120 HB3 SER 15 1HB SER 15 2.779 -12.663 -2.994 121 HG SER 15 HG SER 15 3.897 -12.584 -5.218 122 H ASP 16 H ASP 16 4.072 -8.814 -2.026 123 HA ASP 16 HA ASP 16 3.960 -9.846 0.672 124 HB2 ASP 16 2HB ASP 16 6.068 -9.070 -0.346 125 HB3 ASP 16 1HB ASP 16 5.369 -7.482 -0.547 126 H CYS 17 H CYS 17 2.228 -7.652 -1.242 127 HA CYS 17 HA CYS 17 1.356 -5.981 0.991 128 HB2 CYS 17 2HB CYS 17 0.656 -5.949 -1.937 129 HB3 CYS 17 1HB CYS 17 0.194 -4.743 -0.737 130 HA PRO 18 HA PRO 18 -1.971 -8.992 1.619 131 HB2 PRO 18 2HB PRO 18 -2.739 -7.114 3.745 132 HB3 PRO 18 1HB PRO 18 -2.305 -8.819 3.866 133 HG2 PRO 18 2HG PRO 18 -0.699 -6.884 4.771 134 HG3 PRO 18 1HG PRO 18 -0.066 -8.379 4.054 135 HD2 PRO 18 2HD PRO 18 -0.305 -5.652 2.848 136 HD3 PRO 18 1HD PRO 18 1.005 -6.849 2.721 137 H GLY 19 H GLY 19 -3.985 -8.981 0.871 138 HA2 GLY 19 2HA GLY 19 -6.102 -8.153 0.326 139 HA3 GLY 19 1HA GLY 19 -5.534 -6.537 0.739 140 H ALA 20 H ALA 20 -6.586 -5.881 -1.271 141 HA ALA 20 HA ALA 20 -5.524 -6.859 -3.799 142 HB1 ALA 20 1HB ALA 20 -7.476 -4.623 -3.208 143 HB2 ALA 20 2HB ALA 20 -7.907 -6.293 -3.581 144 HB3 ALA 20 3HB ALA 20 -7.126 -5.288 -4.803 145 H CYS 21 H CYS 21 -3.821 -5.548 -1.920 146 HA CYS 21 HA CYS 21 -3.171 -2.899 -2.968 147 HB2 CYS 21 2HB CYS 21 -1.867 -4.491 -0.795 148 HB3 CYS 21 1HB CYS 21 -1.754 -2.772 -0.972 149 H ILE 22 H ILE 22 -1.285 -2.543 -4.157 150 HA ILE 22 HA ILE 22 0.431 -4.885 -4.635 151 HB ILE 22 HB ILE 22 1.080 -3.841 -6.800 152 HG12 ILE 22 2HG1 ILE 22 -1.275 -1.994 -6.316 153 HG13 ILE 22 1HG1 ILE 22 0.416 -1.512 -6.248 154 HG21 ILE 22 1HG2 ILE 22 -0.975 -4.464 -8.018 155 HG22 ILE 22 2HG2 ILE 22 -1.815 -4.561 -6.464 156 HG23 ILE 22 3HG2 ILE 22 -0.471 -5.646 -6.810 157 HD11 ILE 22 1HD1 ILE 22 -1.042 -2.541 -8.672 158 HD12 ILE 22 2HD1 ILE 22 0.657 -2.073 -8.617 159 HD13 ILE 22 3HD1 ILE 22 -0.598 -0.864 -8.354 160 H CYS 23 H CYS 23 2.685 -4.030 -5.524 161 HA CYS 23 HA CYS 23 3.672 -2.380 -3.331 162 HB2 CYS 23 2HB CYS 23 4.771 -4.547 -3.832 163 HB3 CYS 23 1HB CYS 23 5.141 -3.977 -5.451 164 H ARG 24 H ARG 24 4.650 -0.361 -3.674 165 HA ARG 24 HA ARG 24 4.499 0.577 -6.443 166 HB2 ARG 24 2HB ARG 24 3.959 2.211 -3.957 167 HB3 ARG 24 1HB ARG 24 3.912 2.798 -5.609 168 HG2 ARG 24 2HG ARG 24 2.042 0.789 -4.364 169 HG3 ARG 24 1HG ARG 24 1.670 2.461 -4.778 170 HD2 ARG 24 2HD ARG 24 2.393 0.261 -6.717 171 HD3 ARG 24 1HD ARG 24 0.785 0.921 -6.446 172 HE ARG 24 HE ARG 24 2.281 3.097 -7.121 173 HH11 ARG 24 1HH1 ARG 24 1.773 -0.034 -8.731 174 HH12 ARG 24 2HH1 ARG 24 1.851 0.642 -10.288 175 HH21 ARG 24 1HH2 ARG 24 2.389 3.945 -9.166 176 HH22 ARG 24 2HH2 ARG 24 2.219 2.976 -10.572 177 H GLY 25 H GLY 25 5.927 2.270 -6.989 178 HA2 GLY 25 2HA GLY 25 8.607 1.771 -6.366 179 HA3 GLY 25 1HA GLY 25 8.000 3.145 -7.276 180 H ASN 26 H ASN 26 6.325 3.792 -4.818 181 HA ASN 26 HA ASN 26 8.080 5.675 -3.642 182 HB2 ASN 26 2HB ASN 26 6.254 6.273 -2.173 183 HB3 ASN 26 1HB ASN 26 5.580 5.952 -3.764 184 HD21 ASN 26 1HD2 ASN 26 4.305 5.917 -1.159 185 HD22 ASN 26 2HD2 ASN 26 3.628 4.350 -0.973 186 H GLY 27 H GLY 27 7.575 2.348 -3.042 187 HA2 GLY 27 2HA GLY 27 9.289 1.250 -1.731 188 HA3 GLY 27 1HA GLY 27 9.230 2.617 -0.631 189 H TYR 28 H TYR 28 6.152 2.288 -1.301 190 HA TYR 28 HA TYR 28 5.710 0.422 0.917 191 HB2 TYR 28 2HB TYR 28 4.244 2.987 0.291 192 HB3 TYR 28 1HB TYR 28 3.750 1.821 1.505 193 HD1 TYR 28 1HD TYR 28 4.986 1.615 3.591 194 HD2 TYR 28 2HD TYR 28 6.109 4.486 0.666 195 HE1 TYR 28 1HE TYR 28 6.329 2.783 5.267 196 HE2 TYR 28 2HE TYR 28 7.465 5.656 2.322 197 HH TYR 28 HH TYR 28 8.282 4.324 5.306 198 H CYS 29 H CYS 29 3.491 -0.380 0.960 199 HA CYS 29 HA CYS 29 2.728 -1.286 -1.644 200 HB2 CYS 29 2HB CYS 29 1.448 -1.612 1.068 201 HB3 CYS 29 1HB CYS 29 0.796 -2.326 -0.395 202 H GLY 30 H GLY 30 0.740 -0.845 -2.614 203 HA2 GLY 30 2HA GLY 30 0.014 1.932 -2.419 204 HA3 GLY 30 1HA GLY 30 -0.616 0.760 -3.572 205 H TYR 31 H TYR 31 -0.638 1.435 -0.155 206 HA TYR 31 HA TYR 31 -3.220 0.279 0.112 207 HB2 TYR 31 2HB TYR 31 -1.659 1.825 2.223 208 HB3 TYR 31 1HB TYR 31 -3.165 0.984 2.488 209 HD1 TYR 31 1HD TYR 31 0.202 0.793 2.993 210 HD2 TYR 31 2HD TYR 31 -2.997 -1.615 1.602 211 HE1 TYR 31 1HE TYR 31 1.439 -1.242 3.632 212 HE2 TYR 31 2HE TYR 31 -1.780 -3.627 2.234 213 HH TYR 31 HH TYR 31 0.806 -3.615 4.259 214 HA PRO 32 HA PRO 32 -4.681 4.734 0.654 215 HB2 PRO 32 2HB PRO 32 -2.630 6.669 0.052 216 HB3 PRO 32 1HB PRO 32 -3.445 6.389 1.587 217 HG2 PRO 32 2HG PRO 32 -0.795 5.861 1.190 218 HG3 PRO 32 1HG PRO 32 -1.807 4.999 2.363 219 HD2 PRO 32 2HD PRO 32 -1.025 4.190 -0.412 220 HD3 PRO 32 1HD PRO 32 -1.006 3.210 1.059 221 H TYR 33 H TYR 33 -5.847 5.656 -0.881 222 HA TYR 33 HA TYR 33 -5.236 5.225 -3.664 223 HB2 TYR 33 2HB TYR 33 -7.504 4.972 -2.631 224 HB3 TYR 33 1HB TYR 33 -7.528 6.694 -2.323 225 HD1 TYR 33 1HD TYR 33 -7.744 4.099 -4.900 226 HD2 TYR 33 2HD TYR 33 -7.998 8.270 -4.124 227 HE1 TYR 33 1HE TYR 33 -8.785 4.442 -7.090 228 HE2 TYR 33 2HE TYR 33 -9.029 8.627 -6.310 229 HH TYR 33 HH TYR 33 -9.117 7.476 -8.519 230 H ASP 34 H ASP 34 -4.714 7.599 -1.337 231 HA ASP 34 HA ASP 34 -4.742 9.849 -3.136 232 HB2 ASP 34 2HB ASP 34 -4.177 11.224 -1.176 233 HB3 ASP 34 1HB ASP 34 -5.595 10.227 -0.904 234 H VAL 35 H VAL 35 -2.485 7.500 -2.769 235 HA VAL 35 HA VAL 35 -0.213 9.234 -2.623 236 HB VAL 35 HB VAL 35 1.185 7.269 -3.276 237 HG11 VAL 35 1HG1 VAL 35 0.718 7.645 -0.937 238 HG12 VAL 35 2HG1 VAL 35 0.777 5.916 -1.275 239 HG13 VAL 35 3HG1 VAL 35 -0.778 6.722 -1.068 240 HG21 VAL 35 1HG2 VAL 35 -0.405 6.154 -4.732 241 HG22 VAL 35 2HG2 VAL 35 -1.427 5.766 -3.345 242 HG23 VAL 35 3HG2 VAL 35 0.183 5.052 -3.484 243 HA PRO 36 HA PRO 36 -0.172 11.141 -6.483 244 HB2 PRO 36 2HB PRO 36 2.557 10.914 -7.083 245 HB3 PRO 36 1HB PRO 36 1.787 12.212 -6.170 246 HG2 PRO 36 2HG PRO 36 3.190 9.775 -5.188 247 HG3 PRO 36 1HG PRO 36 3.194 11.416 -4.518 248 HD2 PRO 36 2HD PRO 36 1.778 9.495 -3.375 249 HD3 PRO 36 1HD PRO 36 1.100 11.132 -3.522 250 H ASP 37 H ASP 37 1.782 8.163 -6.526 251 HA ASP 37 HA ASP 37 1.459 8.013 -9.409 252 HB2 ASP 37 2HB ASP 37 3.103 6.252 -9.363 253 HB3 ASP 37 1HB ASP 37 3.674 7.638 -8.441 254 H TYR 38 H TYR 38 -0.423 6.941 -6.886 255 HA TYR 38 HA TYR 38 -1.350 4.756 -8.549 256 HB2 TYR 38 2HB TYR 38 0.174 3.645 -7.035 257 HB3 TYR 38 1HB TYR 38 -0.604 4.379 -5.644 258 HD1 TYR 38 1HD TYR 38 -2.486 3.352 -4.627 259 HD2 TYR 38 2HD TYR 38 -1.130 1.985 -8.421 260 HE1 TYR 38 1HE TYR 38 -4.001 1.438 -4.471 261 HE2 TYR 38 2HE TYR 38 -2.636 0.070 -8.270 262 HH TYR 38 HH TYR 38 -3.822 -1.252 -6.545 263 H ALA 39 H ALA 39 -3.340 5.129 -8.933 264 HA ALA 39 HA ALA 39 -5.128 5.571 -6.690 265 HB1 ALA 39 1HB ALA 39 -5.322 6.952 -9.374 266 HB2 ALA 39 2HB ALA 39 -4.905 7.721 -7.842 267 HB3 ALA 39 3HB ALA 39 -6.515 7.044 -8.078 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -8.880 3.705 -6.204 2 HA2 GLY 1 2HA GLY 1 -10.274 4.894 -3.930 3 HA3 GLY 1 1HA GLY 1 -11.212 3.928 -5.058 4 H GLY 2 H GLY 2 -8.084 2.716 -4.899 5 HA2 GLY 2 2HA GLY 2 -9.011 0.433 -3.414 6 HA3 GLY 2 1HA GLY 2 -7.479 0.596 -4.256 7 H VAL 3 H VAL 3 -9.210 1.819 -1.432 8 HA VAL 3 HA VAL 3 -6.646 2.265 -0.140 9 HB VAL 3 HB VAL 3 -8.357 4.021 0.177 10 HG11 VAL 3 1HG1 VAL 3 -10.331 3.673 1.563 11 HG12 VAL 3 2HG1 VAL 3 -9.970 1.948 1.618 12 HG13 VAL 3 3HG1 VAL 3 -10.369 2.716 0.080 13 HG21 VAL 3 1HG2 VAL 3 -8.243 4.259 2.625 14 HG22 VAL 3 2HG2 VAL 3 -6.697 3.783 1.923 15 HG23 VAL 3 3HG2 VAL 3 -7.696 2.586 2.743 16 H CYS 4 H CYS 4 -5.860 1.084 1.444 17 HA CYS 4 HA CYS 4 -7.101 -1.530 1.704 18 HB2 CYS 4 2HB CYS 4 -4.381 -0.564 2.578 19 HB3 CYS 4 1HB CYS 4 -4.940 -2.230 2.618 20 HA PRO 5 HA PRO 5 -8.501 -0.946 5.904 21 HB2 PRO 5 2HB PRO 5 -8.154 -3.473 6.883 22 HB3 PRO 5 1HB PRO 5 -9.466 -3.048 5.777 23 HG2 PRO 5 2HG PRO 5 -6.817 -4.305 5.160 24 HG3 PRO 5 1HG PRO 5 -8.428 -4.778 4.589 25 HD2 PRO 5 2HD PRO 5 -6.790 -3.346 3.047 26 HD3 PRO 5 1HD PRO 5 -8.538 -3.026 3.068 27 H LYS 6 H LYS 6 -5.424 -2.158 5.117 28 HA LYS 6 HA LYS 6 -4.299 -1.887 7.775 29 HB2 LYS 6 2HB LYS 6 -2.961 -2.456 5.109 30 HB3 LYS 6 1HB LYS 6 -2.213 -2.609 6.693 31 HG2 LYS 6 2HG LYS 6 -3.732 -4.420 7.275 32 HG3 LYS 6 1HG LYS 6 -4.578 -4.227 5.748 33 HD2 LYS 6 2HD LYS 6 -3.094 -6.132 5.618 34 HD3 LYS 6 1HD LYS 6 -2.508 -4.860 4.556 35 HE2 LYS 6 2HE LYS 6 -0.669 -5.908 5.755 36 HE3 LYS 6 1HE LYS 6 -0.838 -4.224 6.226 37 HZ1 LYS 6 1HZ LYS 6 -1.786 -6.575 7.793 38 HZ2 LYS 6 2HZ LYS 6 -1.940 -4.947 8.261 39 HZ3 LYS 6 3HZ LYS 6 -0.422 -5.632 8.105 40 H ILE 7 H ILE 7 -2.490 -0.315 8.127 41 HA ILE 7 HA ILE 7 -3.383 2.204 7.005 42 HB ILE 7 HB ILE 7 -1.427 1.673 9.269 43 HG12 ILE 7 2HG1 ILE 7 -4.338 2.513 9.361 44 HG13 ILE 7 1HG1 ILE 7 -3.740 0.899 9.726 45 HG21 ILE 7 1HG2 ILE 7 -1.734 4.036 9.845 46 HG22 ILE 7 2HG2 ILE 7 -2.751 4.255 8.424 47 HG23 ILE 7 3HG2 ILE 7 -1.044 3.855 8.231 48 HD11 ILE 7 1HD1 ILE 7 -4.218 2.147 11.753 49 HD12 ILE 7 2HD1 ILE 7 -3.093 3.413 11.254 50 HD13 ILE 7 3HD1 ILE 7 -2.493 1.798 11.627 51 H LEU 8 H LEU 8 -0.138 0.784 7.650 52 HA LEU 8 HA LEU 8 0.726 1.573 5.038 53 HB2 LEU 8 2HB LEU 8 0.880 3.694 6.333 54 HB3 LEU 8 1HB LEU 8 1.982 2.898 7.436 55 HG LEU 8 HG LEU 8 3.582 2.586 5.563 56 HD11 LEU 8 1HD1 LEU 8 2.023 2.599 3.698 57 HD12 LEU 8 2HD1 LEU 8 3.252 3.846 3.493 58 HD13 LEU 8 3HD1 LEU 8 1.631 4.288 4.023 59 HD21 LEU 8 1HD2 LEU 8 2.709 5.430 6.043 60 HD22 LEU 8 2HD2 LEU 8 4.284 4.909 5.439 61 HD23 LEU 8 3HD2 LEU 8 3.787 4.489 7.074 62 H GLN 9 H GLN 9 2.503 0.469 4.401 63 HA GLN 9 HA GLN 9 4.247 -0.915 6.195 64 HB2 GLN 9 2HB GLN 9 2.410 -2.536 6.114 65 HB3 GLN 9 1HB GLN 9 2.319 -2.391 4.366 66 HG2 GLN 9 2HG GLN 9 4.683 -3.273 4.301 67 HG3 GLN 9 1HG GLN 9 4.482 -3.639 6.010 68 HE21 GLN 9 1HE2 GLN 9 4.885 -5.268 3.604 69 HE22 GLN 9 2HE2 GLN 9 3.637 -6.448 3.597 70 H ARG 10 H ARG 10 6.165 -1.381 5.074 71 HA ARG 10 HA ARG 10 6.359 -0.221 2.446 72 HB2 ARG 10 2HB ARG 10 8.771 -0.675 2.575 73 HB3 ARG 10 1HB ARG 10 8.208 0.192 3.991 74 HG2 ARG 10 2HG ARG 10 8.264 -1.860 5.287 75 HG3 ARG 10 1HG ARG 10 8.728 -2.770 3.851 76 HD2 ARG 10 2HD ARG 10 10.800 -1.408 3.727 77 HD3 ARG 10 1HD ARG 10 10.335 -0.627 5.241 78 HE ARG 10 HE ARG 10 10.258 -3.399 5.560 79 HH11 ARG 10 1HH1 ARG 10 12.705 -0.839 5.217 80 HH12 ARG 10 2HH1 ARG 10 13.876 -1.702 6.100 81 HH21 ARG 10 1HH2 ARG 10 11.885 -4.542 6.715 82 HH22 ARG 10 2HH2 ARG 10 13.420 -3.843 6.961 83 H CYS 11 H CYS 11 7.283 -1.492 0.659 84 HA CYS 11 HA CYS 11 6.404 -4.297 0.888 85 HB2 CYS 11 2HB CYS 11 5.601 -4.191 -1.419 86 HB3 CYS 11 1HB CYS 11 4.764 -3.042 -0.386 87 H ARG 12 H ARG 12 7.817 -5.752 0.308 88 HA ARG 12 HA ARG 12 10.155 -4.831 -1.208 89 HB2 ARG 12 2HB ARG 12 11.293 -6.843 -0.530 90 HB3 ARG 12 1HB ARG 12 10.545 -6.123 0.881 91 HG2 ARG 12 2HG ARG 12 8.688 -7.750 0.657 92 HG3 ARG 12 1HG ARG 12 9.585 -8.517 -0.657 93 HD2 ARG 12 2HD ARG 12 10.429 -8.185 2.188 94 HD3 ARG 12 1HD ARG 12 9.999 -9.690 1.360 95 HE ARG 12 HE ARG 12 12.056 -8.735 -0.115 96 HH11 ARG 12 1HH1 ARG 12 11.729 -9.560 3.316 97 HH12 ARG 12 2HH1 ARG 12 13.404 -9.756 3.561 98 HH21 ARG 12 1HH2 ARG 12 14.348 -8.971 0.242 99 HH22 ARG 12 2HH2 ARG 12 14.930 -9.395 1.783 100 H ARG 13 H ARG 13 7.386 -6.766 -1.426 101 HA ARG 13 HA ARG 13 7.725 -6.953 -4.303 102 HB2 ARG 13 2HB ARG 13 6.930 -9.303 -4.369 103 HB3 ARG 13 1HB ARG 13 8.497 -9.168 -3.599 104 HG2 ARG 13 2HG ARG 13 7.479 -9.388 -1.441 105 HG3 ARG 13 1HG ARG 13 5.861 -9.392 -2.159 106 HD2 ARG 13 2HD ARG 13 6.409 -11.619 -1.622 107 HD3 ARG 13 1HD ARG 13 6.564 -11.481 -3.367 108 HE ARG 13 HE ARG 13 8.992 -11.303 -2.990 109 HH11 ARG 13 1HH1 ARG 13 6.945 -12.872 -0.531 110 HH12 ARG 13 2HH1 ARG 13 8.200 -13.811 0.114 111 HH21 ARG 13 1HH2 ARG 13 10.727 -12.656 -2.100 112 HH22 ARG 13 2HH2 ARG 13 10.385 -13.696 -0.805 113 H ASP 14 H ASP 14 5.556 -7.893 -5.147 114 HA ASP 14 HA ASP 14 3.535 -6.099 -4.106 115 HB2 ASP 14 2HB ASP 14 2.139 -6.686 -5.994 116 HB3 ASP 14 1HB ASP 14 3.784 -6.470 -6.569 117 H SER 15 H SER 15 3.968 -9.573 -4.213 118 HA SER 15 HA SER 15 1.558 -10.262 -2.958 119 HB2 SER 15 2HB SER 15 4.199 -11.726 -3.041 120 HB3 SER 15 1HB SER 15 2.635 -12.453 -2.656 121 HG SER 15 HG SER 15 1.924 -11.719 -4.722 122 H ASP 16 H ASP 16 4.207 -8.655 -1.772 123 HA ASP 16 HA ASP 16 4.216 -9.553 0.971 124 HB2 ASP 16 2HB ASP 16 6.211 -8.660 -0.197 125 HB3 ASP 16 1HB ASP 16 5.420 -7.104 -0.354 126 H CYS 17 H CYS 17 2.325 -7.516 -0.969 127 HA CYS 17 HA CYS 17 1.196 -6.057 1.313 128 HB2 CYS 17 2HB CYS 17 0.680 -5.736 -1.650 129 HB3 CYS 17 1HB CYS 17 0.203 -4.640 -0.362 130 HA PRO 18 HA PRO 18 -1.871 -9.425 0.966 131 HB2 PRO 18 2HB PRO 18 -3.135 -8.063 3.241 132 HB3 PRO 18 1HB PRO 18 -2.521 -9.714 3.127 133 HG2 PRO 18 2HG PRO 18 -1.282 -7.842 4.587 134 HG3 PRO 18 1HG PRO 18 -0.387 -9.106 3.724 135 HD2 PRO 18 2HD PRO 18 -0.812 -6.234 2.975 136 HD3 PRO 18 1HD PRO 18 0.653 -7.232 2.851 137 H GLY 19 H GLY 19 -3.756 -9.492 -0.052 138 HA2 GLY 19 2HA GLY 19 -5.859 -8.862 -0.776 139 HA3 GLY 19 1HA GLY 19 -5.665 -7.340 0.086 140 H ALA 20 H ALA 20 -6.609 -6.411 -1.816 141 HA ALA 20 HA ALA 20 -5.275 -6.491 -4.353 142 HB1 ALA 20 1HB ALA 20 -7.384 -4.583 -3.365 143 HB2 ALA 20 2HB ALA 20 -7.696 -6.136 -4.143 144 HB3 ALA 20 3HB ALA 20 -6.910 -4.835 -5.039 145 H CYS 21 H CYS 21 -3.893 -5.487 -1.942 146 HA CYS 21 HA CYS 21 -3.250 -2.720 -2.574 147 HB2 CYS 21 2HB CYS 21 -2.054 -4.571 -0.525 148 HB3 CYS 21 1HB CYS 21 -1.906 -2.838 -0.549 149 H ILE 22 H ILE 22 -1.533 -2.316 -3.884 150 HA ILE 22 HA ILE 22 0.197 -4.604 -4.473 151 HB ILE 22 HB ILE 22 0.636 -3.506 -6.660 152 HG12 ILE 22 2HG1 ILE 22 -1.644 -1.674 -5.856 153 HG13 ILE 22 1HG1 ILE 22 0.041 -1.197 -6.027 154 HG21 ILE 22 1HG2 ILE 22 -0.964 -5.315 -6.507 155 HG22 ILE 22 2HG2 ILE 22 -1.533 -4.120 -7.673 156 HG23 ILE 22 3HG2 ILE 22 -2.239 -4.185 -6.060 157 HD11 ILE 22 1HD1 ILE 22 -1.267 -0.514 -7.950 158 HD12 ILE 22 2HD1 ILE 22 -1.754 -2.187 -8.235 159 HD13 ILE 22 3HD1 ILE 22 -0.063 -1.715 -8.415 160 H CYS 23 H CYS 23 2.427 -3.985 -5.188 161 HA CYS 23 HA CYS 23 3.525 -2.195 -3.189 162 HB2 CYS 23 2HB CYS 23 4.578 -4.388 -3.560 163 HB3 CYS 23 1HB CYS 23 4.862 -3.981 -5.247 164 H ARG 24 H ARG 24 4.481 -0.218 -3.649 165 HA ARG 24 HA ARG 24 4.197 0.613 -6.447 166 HB2 ARG 24 2HB ARG 24 4.241 2.515 -4.094 167 HB3 ARG 24 1HB ARG 24 3.716 2.830 -5.738 168 HG2 ARG 24 2HG ARG 24 2.279 1.255 -3.613 169 HG3 ARG 24 1HG ARG 24 1.771 2.751 -4.385 170 HD2 ARG 24 2HD ARG 24 2.046 0.075 -5.761 171 HD3 ARG 24 1HD ARG 24 0.540 0.760 -5.174 172 HE ARG 24 HE ARG 24 0.888 2.566 -6.769 173 HH11 ARG 24 1HH1 ARG 24 2.679 -0.487 -7.398 174 HH12 ARG 24 2HH1 ARG 24 2.475 -0.373 -9.086 175 HH21 ARG 24 1HH2 ARG 24 0.696 2.656 -9.119 176 HH22 ARG 24 2HH2 ARG 24 1.337 1.410 -10.084 177 H GLY 25 H GLY 25 5.761 2.346 -7.087 178 HA2 GLY 25 2HA GLY 25 8.390 1.348 -6.794 179 HA3 GLY 25 1HA GLY 25 7.927 2.834 -7.607 180 H ASN 26 H ASN 26 6.630 3.716 -5.061 181 HA ASN 26 HA ASN 26 8.813 5.132 -3.971 182 HB2 ASN 26 2HB ASN 26 7.206 5.986 -2.274 183 HB3 ASN 26 1HB ASN 26 6.629 6.165 -3.920 184 HD21 ASN 26 1HD2 ASN 26 4.494 6.324 -3.267 185 HD22 ASN 26 2HD2 ASN 26 3.595 4.978 -2.669 186 H GLY 27 H GLY 27 7.598 2.011 -3.289 187 HA2 GLY 27 2HA GLY 27 9.073 0.543 -2.080 188 HA3 GLY 27 1HA GLY 27 9.478 1.896 -1.038 189 H TYR 28 H TYR 28 6.254 2.161 -1.470 190 HA TYR 28 HA TYR 28 5.707 0.484 0.861 191 HB2 TYR 28 2HB TYR 28 4.539 3.172 0.141 192 HB3 TYR 28 1HB TYR 28 3.913 2.137 1.413 193 HD1 TYR 28 1HD TYR 28 6.492 4.505 0.466 194 HD2 TYR 28 2HD TYR 28 5.258 1.744 3.449 195 HE1 TYR 28 1HE TYR 28 8.032 5.542 2.049 196 HE2 TYR 28 2HE TYR 28 6.800 2.776 5.055 197 HH TYR 28 HH TYR 28 8.318 5.761 4.475 198 H CYS 29 H CYS 29 3.544 -0.245 1.062 199 HA CYS 29 HA CYS 29 2.466 -1.180 -1.428 200 HB2 CYS 29 2HB CYS 29 1.413 -1.368 1.399 201 HB3 CYS 29 1HB CYS 29 0.707 -2.177 0.011 202 H GLY 30 H GLY 30 0.327 -0.701 -2.183 203 HA2 GLY 30 2HA GLY 30 -0.337 2.093 -2.007 204 HA3 GLY 30 1HA GLY 30 -1.157 0.878 -2.978 205 H TYR 31 H TYR 31 -0.639 1.503 0.414 206 HA TYR 31 HA TYR 31 -3.280 0.583 1.130 207 HB2 TYR 31 2HB TYR 31 -1.050 1.676 2.843 208 HB3 TYR 31 1HB TYR 31 -2.617 1.223 3.469 209 HD1 TYR 31 1HD TYR 31 -0.645 0.035 4.840 210 HD2 TYR 31 2HD TYR 31 -2.009 -1.134 1.010 211 HE1 TYR 31 1HE TYR 31 0.196 -2.224 5.238 212 HE2 TYR 31 2HE TYR 31 -1.176 -3.403 1.407 213 HH TYR 31 HH TYR 31 0.712 -4.414 2.913 214 HA PRO 32 HA PRO 32 -3.969 5.038 2.577 215 HB2 PRO 32 2HB PRO 32 -1.899 6.865 2.135 216 HB3 PRO 32 1HB PRO 32 -2.220 5.975 3.628 217 HG2 PRO 32 2HG PRO 32 0.032 5.692 1.978 218 HG3 PRO 32 1HG PRO 32 -0.481 4.558 3.238 219 HD2 PRO 32 2HD PRO 32 -0.964 4.467 0.293 220 HD3 PRO 32 1HD PRO 32 -0.590 3.140 1.414 221 H TYR 33 H TYR 33 -4.072 7.457 1.932 222 HA TYR 33 HA TYR 33 -5.235 7.538 -0.729 223 HB2 TYR 33 2HB TYR 33 -5.188 9.694 1.384 224 HB3 TYR 33 1HB TYR 33 -6.272 9.566 0.010 225 HD1 TYR 33 1HD TYR 33 -5.512 8.338 3.381 226 HD2 TYR 33 2HD TYR 33 -8.210 8.077 0.105 227 HE1 TYR 33 1HE TYR 33 -7.119 7.213 4.818 228 HE2 TYR 33 2HE TYR 33 -9.842 6.945 1.542 229 HH TYR 33 HH TYR 33 -9.544 6.857 4.922 230 H ASP 34 H ASP 34 -2.451 8.630 0.966 231 HA ASP 34 HA ASP 34 -1.925 10.957 -0.611 232 HB2 ASP 34 2HB ASP 34 0.255 11.122 0.565 233 HB3 ASP 34 1HB ASP 34 -1.126 11.013 1.642 234 H VAL 35 H VAL 35 -1.659 7.943 -1.623 235 HA VAL 35 HA VAL 35 0.686 8.549 -3.202 236 HB VAL 35 HB VAL 35 0.459 6.184 -4.103 237 HG11 VAL 35 1HG1 VAL 35 0.698 6.472 -1.108 238 HG12 VAL 35 2HG1 VAL 35 2.000 6.660 -2.285 239 HG13 VAL 35 3HG1 VAL 35 1.249 5.085 -2.047 240 HG21 VAL 35 1HG2 VAL 35 -1.663 5.979 -1.965 241 HG22 VAL 35 2HG2 VAL 35 -0.954 4.619 -2.835 242 HG23 VAL 35 3HG2 VAL 35 -1.896 5.832 -3.710 243 HA PRO 36 HA PRO 36 -1.937 10.438 -6.255 244 HB2 PRO 36 2HB PRO 36 0.272 9.769 -8.124 245 HB3 PRO 36 1HB PRO 36 -0.473 11.338 -7.790 246 HG2 PRO 36 2HG PRO 36 1.938 10.773 -6.845 247 HG3 PRO 36 1HG PRO 36 0.763 11.638 -5.838 248 HD2 PRO 36 2HD PRO 36 1.573 8.760 -5.753 249 HD3 PRO 36 1HD PRO 36 1.280 9.908 -4.420 250 H ASP 37 H ASP 37 -0.595 7.291 -6.695 251 HA ASP 37 HA ASP 37 -2.069 6.611 -9.079 252 HB2 ASP 37 2HB ASP 37 -1.019 4.418 -8.799 253 HB3 ASP 37 1HB ASP 37 0.169 5.716 -8.690 254 H TYR 38 H TYR 38 -3.017 7.022 -6.030 255 HA TYR 38 HA TYR 38 -4.676 4.671 -5.754 256 HB2 TYR 38 2HB TYR 38 -3.838 5.398 -3.689 257 HB3 TYR 38 1HB TYR 38 -4.111 7.096 -4.051 258 HD1 TYR 38 1HD TYR 38 -6.222 8.116 -3.517 259 HD2 TYR 38 2HD TYR 38 -5.685 3.934 -3.009 260 HE1 TYR 38 1HE TYR 38 -8.303 8.017 -2.248 261 HE2 TYR 38 2HE TYR 38 -7.760 3.822 -1.757 262 HH TYR 38 HH TYR 38 -9.184 5.398 -0.382 263 H ALA 39 H ALA 39 -6.581 4.562 -6.561 264 HA ALA 39 HA ALA 39 -8.015 6.990 -7.318 265 HB1 ALA 39 1HB ALA 39 -8.451 4.113 -8.163 266 HB2 ALA 39 2HB ALA 39 -7.692 5.372 -9.137 267 HB3 ALA 39 3HB ALA 39 -9.399 5.493 -8.716 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -11.767 4.304 -1.968 2 HA2 GLY 1 2HA GLY 1 -13.009 3.092 -3.786 3 HA3 GLY 1 1HA GLY 1 -11.774 3.729 -4.864 4 H GLY 2 H GLY 2 -9.952 2.610 -5.166 5 HA2 GLY 2 2HA GLY 2 -9.698 0.021 -3.974 6 HA3 GLY 2 1HA GLY 2 -8.614 0.747 -5.155 7 H VAL 3 H VAL 3 -9.612 1.286 -1.796 8 HA VAL 3 HA VAL 3 -6.847 1.752 -1.117 9 HB VAL 3 HB VAL 3 -7.738 2.826 0.880 10 HG11 VAL 3 1HG1 VAL 3 -8.621 4.871 -0.235 11 HG12 VAL 3 2HG1 VAL 3 -8.815 3.930 -1.711 12 HG13 VAL 3 3HG1 VAL 3 -7.202 4.204 -1.046 13 HG21 VAL 3 1HG2 VAL 3 -9.871 1.687 1.095 14 HG22 VAL 3 2HG2 VAL 3 -10.450 2.449 -0.386 15 HG23 VAL 3 3HG2 VAL 3 -10.121 3.432 1.042 16 H CYS 4 H CYS 4 -5.987 0.672 0.553 17 HA CYS 4 HA CYS 4 -7.055 -1.936 1.124 18 HB2 CYS 4 2HB CYS 4 -4.619 -0.521 2.230 19 HB3 CYS 4 1HB CYS 4 -4.977 -2.230 2.380 20 HA PRO 5 HA PRO 5 -9.046 -0.630 4.985 21 HB2 PRO 5 2HB PRO 5 -8.578 -3.391 5.919 22 HB3 PRO 5 1HB PRO 5 -10.102 -2.522 5.738 23 HG2 PRO 5 2HG PRO 5 -9.429 -4.497 4.064 24 HG3 PRO 5 1HG PRO 5 -10.297 -3.062 3.497 25 HD2 PRO 5 2HD PRO 5 -7.399 -3.744 3.244 26 HD3 PRO 5 1HD PRO 5 -8.500 -3.006 2.057 27 H LYS 6 H LYS 6 -5.990 -2.101 4.693 28 HA LYS 6 HA LYS 6 -5.227 -1.583 7.445 29 HB2 LYS 6 2HB LYS 6 -3.668 -2.816 5.163 30 HB3 LYS 6 1HB LYS 6 -3.082 -2.681 6.813 31 HG2 LYS 6 2HG LYS 6 -4.999 -4.084 7.558 32 HG3 LYS 6 1HG LYS 6 -5.462 -4.283 5.874 33 HD2 LYS 6 2HD LYS 6 -4.249 -6.232 6.556 34 HD3 LYS 6 1HD LYS 6 -3.212 -5.320 5.461 35 HE2 LYS 6 2HE LYS 6 -2.018 -4.392 7.376 36 HE3 LYS 6 1HE LYS 6 -3.068 -5.285 8.473 37 HZ1 LYS 6 1HZ LYS 6 -1.062 -6.469 8.261 38 HZ2 LYS 6 2HZ LYS 6 -1.027 -6.361 6.602 39 HZ3 LYS 6 3HZ LYS 6 -2.178 -7.352 7.356 40 H ILE 7 H ILE 7 -2.945 -0.484 7.683 41 HA ILE 7 HA ILE 7 -3.259 2.045 6.293 42 HB ILE 7 HB ILE 7 -1.735 2.986 7.978 43 HG12 ILE 7 2HG1 ILE 7 -1.857 0.264 9.299 44 HG13 ILE 7 1HG1 ILE 7 -0.451 0.870 8.428 45 HG21 ILE 7 1HG2 ILE 7 -3.277 2.832 9.868 46 HG22 ILE 7 2HG2 ILE 7 -4.064 1.451 9.101 47 HG23 ILE 7 3HG2 ILE 7 -4.125 3.038 8.333 48 HD11 ILE 7 1HD1 ILE 7 -1.658 2.052 10.922 49 HD12 ILE 7 2HD1 ILE 7 -0.247 2.677 10.068 50 HD13 ILE 7 3HD1 ILE 7 -0.185 1.088 10.832 51 H LEU 8 H LEU 8 -0.989 3.236 6.209 52 HA LEU 8 HA LEU 8 0.386 2.268 4.056 53 HB2 LEU 8 2HB LEU 8 2.047 3.955 4.384 54 HB3 LEU 8 1HB LEU 8 0.487 4.598 4.824 55 HG LEU 8 HG LEU 8 2.595 3.720 6.810 56 HD11 LEU 8 1HD1 LEU 8 3.373 5.614 5.526 57 HD12 LEU 8 2HD1 LEU 8 2.987 6.098 7.177 58 HD13 LEU 8 3HD1 LEU 8 1.874 6.481 5.864 59 HD21 LEU 8 1HD2 LEU 8 0.341 3.645 7.745 60 HD22 LEU 8 2HD2 LEU 8 0.041 5.293 7.196 61 HD23 LEU 8 3HD2 LEU 8 1.251 4.986 8.441 62 H GLN 9 H GLN 9 1.568 0.642 3.749 63 HA GLN 9 HA GLN 9 3.401 -0.311 5.824 64 HB2 GLN 9 2HB GLN 9 1.649 -1.908 3.962 65 HB3 GLN 9 1HB GLN 9 2.938 -2.605 4.930 66 HG2 GLN 9 2HG GLN 9 1.813 -2.091 6.958 67 HG3 GLN 9 1HG GLN 9 0.632 -1.091 6.119 68 HE21 GLN 9 1HE2 GLN 9 0.257 -2.953 3.956 69 HE22 GLN 9 2HE2 GLN 9 -0.667 -4.258 4.553 70 H ARG 10 H ARG 10 5.287 -1.165 5.009 71 HA ARG 10 HA ARG 10 6.173 -0.090 2.480 72 HB2 ARG 10 2HB ARG 10 7.494 -1.661 4.674 73 HB3 ARG 10 1HB ARG 10 8.278 -1.488 3.128 74 HG2 ARG 10 2HG ARG 10 9.095 0.117 4.837 75 HG3 ARG 10 1HG ARG 10 8.475 0.882 3.385 76 HD2 ARG 10 2HD ARG 10 7.815 2.057 5.445 77 HD3 ARG 10 1HD ARG 10 6.434 1.480 4.525 78 HE ARG 10 HE ARG 10 6.977 -0.468 6.391 79 HH11 ARG 10 1HH1 ARG 10 6.266 3.019 6.594 80 HH12 ARG 10 2HH1 ARG 10 5.333 2.875 8.005 81 HH21 ARG 10 1HH2 ARG 10 5.664 -0.660 8.283 82 HH22 ARG 10 2HH2 ARG 10 4.993 0.720 9.015 83 H CYS 11 H CYS 11 7.139 -1.510 0.852 84 HA CYS 11 HA CYS 11 5.907 -4.173 0.922 85 HB2 CYS 11 2HB CYS 11 5.471 -4.044 -1.462 86 HB3 CYS 11 1HB CYS 11 4.666 -2.730 -0.621 87 H ARG 12 H ARG 12 7.131 -5.806 0.307 88 HA ARG 12 HA ARG 12 9.909 -5.325 -0.470 89 HB2 ARG 12 2HB ARG 12 9.189 -7.149 1.152 90 HB3 ARG 12 1HB ARG 12 8.416 -7.949 -0.206 91 HG2 ARG 12 2HG ARG 12 10.661 -7.997 -1.315 92 HG3 ARG 12 1HG ARG 12 11.343 -7.451 0.216 93 HD2 ARG 12 2HD ARG 12 9.785 -9.966 -0.298 94 HD3 ARG 12 1HD ARG 12 11.506 -9.854 0.074 95 HE ARG 12 HE ARG 12 10.239 -8.711 2.212 96 HH11 ARG 12 1HH1 ARG 12 10.230 -11.920 0.672 97 HH12 ARG 12 2HH1 ARG 12 9.634 -12.704 2.070 98 HH21 ARG 12 1HH2 ARG 12 9.423 -9.841 4.097 99 HH22 ARG 12 2HH2 ARG 12 9.177 -11.532 4.010 100 H ARG 13 H ARG 13 6.975 -6.846 -1.604 101 HA ARG 13 HA ARG 13 7.395 -6.173 -4.327 102 HB2 ARG 13 2HB ARG 13 7.026 -8.520 -5.124 103 HB3 ARG 13 1HB ARG 13 8.594 -8.262 -4.397 104 HG2 ARG 13 2HG ARG 13 7.836 -9.361 -2.349 105 HG3 ARG 13 1HG ARG 13 6.229 -9.575 -3.053 106 HD2 ARG 13 2HD ARG 13 7.680 -11.602 -3.200 107 HD3 ARG 13 1HD ARG 13 7.104 -11.023 -4.763 108 HE ARG 13 HE ARG 13 9.667 -9.990 -3.963 109 HH11 ARG 13 1HH1 ARG 13 8.057 -12.646 -5.672 110 HH12 ARG 13 2HH1 ARG 13 9.400 -12.957 -6.667 111 HH21 ARG 13 1HH2 ARG 13 11.457 -10.450 -5.306 112 HH22 ARG 13 2HH2 ARG 13 11.376 -11.669 -6.476 113 H ASP 14 H ASP 14 5.362 -7.422 -5.482 114 HA ASP 14 HA ASP 14 3.152 -6.129 -4.248 115 HB2 ASP 14 2HB ASP 14 3.229 -7.985 -6.628 116 HB3 ASP 14 1HB ASP 14 1.770 -7.168 -6.081 117 H SER 15 H SER 15 4.079 -9.469 -4.498 118 HA SER 15 HA SER 15 1.770 -10.593 -3.318 119 HB2 SER 15 2HB SER 15 3.384 -11.883 -4.684 120 HB3 SER 15 1HB SER 15 4.610 -11.666 -3.442 121 HG SER 15 HG SER 15 2.119 -12.956 -3.017 122 H ASP 16 H ASP 16 4.222 -8.714 -2.026 123 HA ASP 16 HA ASP 16 4.231 -9.858 0.626 124 HB2 ASP 16 2HB ASP 16 6.317 -8.996 -0.237 125 HB3 ASP 16 1HB ASP 16 5.575 -7.443 -0.580 126 H CYS 17 H CYS 17 2.418 -7.561 -1.146 127 HA CYS 17 HA CYS 17 1.442 -6.314 1.310 128 HB2 CYS 17 2HB CYS 17 0.828 -5.619 -1.582 129 HB3 CYS 17 1HB CYS 17 0.310 -4.722 -0.162 130 HA PRO 18 HA PRO 18 -1.718 -9.475 0.730 131 HB2 PRO 18 2HB PRO 18 -2.847 -9.242 3.180 132 HB3 PRO 18 1HB PRO 18 -1.347 -10.130 2.902 133 HG2 PRO 18 2HG PRO 18 -1.754 -7.409 4.036 134 HG3 PRO 18 1HG PRO 18 -0.563 -8.646 4.465 135 HD2 PRO 18 2HD PRO 18 -0.042 -6.448 2.886 136 HD3 PRO 18 1HD PRO 18 0.903 -7.947 2.867 137 H GLY 19 H GLY 19 -3.770 -9.341 0.033 138 HA2 GLY 19 2HA GLY 19 -5.953 -8.456 -0.022 139 HA3 GLY 19 1HA GLY 19 -5.314 -6.964 0.664 140 H ALA 20 H ALA 20 -6.465 -5.900 -1.090 141 HA ALA 20 HA ALA 20 -5.639 -6.327 -3.827 142 HB1 ALA 20 1HB ALA 20 -7.922 -5.575 -3.264 143 HB2 ALA 20 2HB ALA 20 -7.111 -4.426 -4.328 144 HB3 ALA 20 3HB ALA 20 -7.259 -4.075 -2.617 145 H CYS 21 H CYS 21 -3.741 -5.507 -1.742 146 HA CYS 21 HA CYS 21 -2.898 -2.802 -2.442 147 HB2 CYS 21 2HB CYS 21 -1.683 -4.722 -0.477 148 HB3 CYS 21 1HB CYS 21 -1.452 -2.972 -0.543 149 H ILE 22 H ILE 22 -1.198 -2.452 -3.773 150 HA ILE 22 HA ILE 22 0.452 -4.755 -4.572 151 HB ILE 22 HB ILE 22 0.946 -3.441 -6.624 152 HG12 ILE 22 2HG1 ILE 22 -1.264 -1.626 -5.615 153 HG13 ILE 22 1HG1 ILE 22 0.436 -1.199 -5.746 154 HG21 ILE 22 1HG2 ILE 22 -1.211 -3.869 -7.716 155 HG22 ILE 22 2HG2 ILE 22 -1.950 -4.095 -6.125 156 HG23 ILE 22 3HG2 ILE 22 -0.694 -5.201 -6.683 157 HD11 ILE 22 1HD1 ILE 22 0.276 -1.479 -8.188 158 HD12 ILE 22 2HD1 ILE 22 -0.807 -0.243 -7.559 159 HD13 ILE 22 3HD1 ILE 22 -1.444 -1.827 -8.004 160 H CYS 23 H CYS 23 2.684 -3.987 -5.335 161 HA CYS 23 HA CYS 23 3.788 -2.295 -3.212 162 HB2 CYS 23 2HB CYS 23 4.836 -4.492 -3.639 163 HB3 CYS 23 1HB CYS 23 5.154 -4.016 -5.294 164 H ARG 24 H ARG 24 4.404 -0.247 -3.612 165 HA ARG 24 HA ARG 24 4.299 0.646 -6.394 166 HB2 ARG 24 2HB ARG 24 4.108 2.246 -3.825 167 HB3 ARG 24 1HB ARG 24 3.975 2.892 -5.453 168 HG2 ARG 24 2HG ARG 24 2.072 0.907 -4.229 169 HG3 ARG 24 1HG ARG 24 1.798 2.645 -4.344 170 HD2 ARG 24 2HD ARG 24 2.224 0.793 -6.694 171 HD3 ARG 24 1HD ARG 24 0.659 1.360 -6.124 172 HE ARG 24 HE ARG 24 1.987 3.645 -6.519 173 HH11 ARG 24 1HH1 ARG 24 1.673 0.817 -8.680 174 HH12 ARG 24 2HH1 ARG 24 1.576 1.764 -10.090 175 HH21 ARG 24 1HH2 ARG 24 1.860 4.903 -8.512 176 HH22 ARG 24 2HH2 ARG 24 1.668 4.078 -9.991 177 H GLY 25 H GLY 25 5.882 2.278 -7.015 178 HA2 GLY 25 2HA GLY 25 8.497 1.311 -6.633 179 HA3 GLY 25 1HA GLY 25 8.050 2.786 -7.471 180 H ASN 26 H ASN 26 6.715 3.679 -4.930 181 HA ASN 26 HA ASN 26 8.905 5.153 -3.891 182 HB2 ASN 26 2HB ASN 26 7.327 6.186 -2.383 183 HB3 ASN 26 1HB ASN 26 6.554 6.016 -3.949 184 HD21 ASN 26 1HD2 ASN 26 5.360 6.368 -1.337 185 HD22 ASN 26 2HD2 ASN 26 4.333 5.033 -1.077 186 H GLY 27 H GLY 27 7.619 2.054 -3.110 187 HA2 GLY 27 2HA GLY 27 9.061 0.638 -1.751 188 HA3 GLY 27 1HA GLY 27 9.367 2.040 -0.740 189 H TYR 28 H TYR 28 6.228 2.279 -1.448 190 HA TYR 28 HA TYR 28 5.406 0.802 0.939 191 HB2 TYR 28 2HB TYR 28 4.553 3.442 -0.187 192 HB3 TYR 28 1HB TYR 28 3.411 2.496 0.753 193 HD1 TYR 28 1HD TYR 28 6.685 4.247 0.903 194 HD2 TYR 28 2HD TYR 28 3.539 2.416 3.073 195 HE1 TYR 28 1HE TYR 28 7.604 5.158 2.998 196 HE2 TYR 28 2HE TYR 28 4.426 3.314 5.164 197 HH TYR 28 HH TYR 28 6.740 5.710 5.337 198 H CYS 29 H CYS 29 3.078 0.216 0.872 199 HA CYS 29 HA CYS 29 2.538 -1.131 -1.605 200 HB2 CYS 29 2HB CYS 29 0.954 -1.039 0.982 201 HB3 CYS 29 1HB CYS 29 0.553 -2.041 -0.404 202 H GLY 30 H GLY 30 0.138 -1.049 -2.270 203 HA2 GLY 30 2HA GLY 30 -0.497 1.431 -3.368 204 HA3 GLY 30 1HA GLY 30 -1.626 0.093 -3.217 205 H TYR 31 H TYR 31 -2.680 2.463 -3.080 206 HA TYR 31 HA TYR 31 -2.617 4.091 -0.934 207 HB2 TYR 31 2HB TYR 31 -5.038 3.362 -2.573 208 HB3 TYR 31 1HB TYR 31 -4.914 4.773 -1.525 209 HD1 TYR 31 1HD TYR 31 -3.092 6.472 -2.020 210 HD2 TYR 31 2HD TYR 31 -4.232 3.452 -4.794 211 HE1 TYR 31 1HE TYR 31 -2.058 7.746 -3.823 212 HE2 TYR 31 2HE TYR 31 -3.196 4.717 -6.607 213 HH TYR 31 HH TYR 31 -2.610 7.087 -7.053 214 HA PRO 32 HA PRO 32 -4.168 1.418 2.282 215 HB2 PRO 32 2HB PRO 32 -3.218 2.837 4.320 216 HB3 PRO 32 1HB PRO 32 -2.154 1.870 3.291 217 HG2 PRO 32 2HG PRO 32 -2.693 4.810 3.228 218 HG3 PRO 32 1HG PRO 32 -1.140 3.960 3.118 219 HD2 PRO 32 2HD PRO 32 -2.484 4.902 0.954 220 HD3 PRO 32 1HD PRO 32 -1.414 3.481 0.907 221 H TYR 33 H TYR 33 -5.165 2.086 4.521 222 HA TYR 33 HA TYR 33 -7.643 3.385 3.915 223 HB2 TYR 33 2HB TYR 33 -7.340 1.317 5.316 224 HB3 TYR 33 1HB TYR 33 -6.661 2.343 6.569 225 HD1 TYR 33 1HD TYR 33 -9.707 1.923 4.482 226 HD2 TYR 33 2HD TYR 33 -8.088 3.249 8.186 227 HE1 TYR 33 1HE TYR 33 -11.966 2.270 5.335 228 HE2 TYR 33 2HE TYR 33 -10.349 3.609 9.049 229 HH TYR 33 HH TYR 33 -13.102 2.406 7.429 230 H ASP 34 H ASP 34 -4.671 4.311 5.400 231 HA ASP 34 HA ASP 34 -5.866 6.376 6.981 232 HB2 ASP 34 2HB ASP 34 -3.604 6.992 7.671 233 HB3 ASP 34 1HB ASP 34 -3.865 5.263 7.833 234 H VAL 35 H VAL 35 -5.144 6.230 3.715 235 HA VAL 35 HA VAL 35 -4.634 9.083 3.639 236 HB VAL 35 HB VAL 35 -4.246 8.851 1.201 237 HG11 VAL 35 1HG1 VAL 35 -2.369 8.705 2.714 238 HG12 VAL 35 2HG1 VAL 35 -2.121 7.635 1.334 239 HG13 VAL 35 3HG1 VAL 35 -2.625 6.971 2.889 240 HG21 VAL 35 1HG2 VAL 35 -4.584 5.882 1.656 241 HG22 VAL 35 2HG2 VAL 35 -3.989 6.625 0.173 242 HG23 VAL 35 3HG2 VAL 35 -5.647 6.914 0.701 243 HA PRO 36 HA PRO 36 -9.029 9.437 3.017 244 HB2 PRO 36 2HB PRO 36 -9.268 12.028 3.660 245 HB3 PRO 36 1HB PRO 36 -8.982 10.786 4.887 246 HG2 PRO 36 2HG PRO 36 -7.049 12.698 3.642 247 HG3 PRO 36 1HG PRO 36 -7.177 12.177 5.330 248 HD2 PRO 36 2HD PRO 36 -5.361 11.157 3.520 249 HD3 PRO 36 1HD PRO 36 -5.931 10.297 4.962 250 H ASP 37 H ASP 37 -6.521 10.940 1.251 251 HA ASP 37 HA ASP 37 -8.260 12.579 -0.361 252 HB2 ASP 37 2HB ASP 37 -6.338 13.328 -1.583 253 HB3 ASP 37 1HB ASP 37 -5.913 13.290 0.114 254 H TYR 38 H TYR 38 -7.296 9.335 -0.479 255 HA TYR 38 HA TYR 38 -8.264 9.196 -3.242 256 HB2 TYR 38 2HB TYR 38 -5.844 8.428 -2.844 257 HB3 TYR 38 1HB TYR 38 -6.513 7.121 -1.875 258 HD1 TYR 38 1HD TYR 38 -6.096 8.445 -5.266 259 HD2 TYR 38 2HD TYR 38 -7.675 5.240 -2.965 260 HE1 TYR 38 1HE TYR 38 -6.352 7.123 -7.305 261 HE2 TYR 38 2HE TYR 38 -7.935 3.895 -5.008 262 HH TYR 38 HH TYR 38 -6.485 4.768 -7.940 263 H ALA 39 H ALA 39 -9.840 7.563 -3.638 264 HA ALA 39 HA ALA 39 -10.888 6.167 -1.351 265 HB1 ALA 39 1HB ALA 39 -12.083 8.311 -1.364 266 HB2 ALA 39 2HB ALA 39 -13.158 6.990 -1.822 267 HB3 ALA 39 3HB ALA 39 -12.509 8.067 -3.058 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -10.120 2.116 -1.982 2 HA2 GLY 1 2HA GLY 1 -10.883 0.813 -4.000 3 HA3 GLY 1 1HA GLY 1 -9.711 1.779 -4.899 4 H GLY 2 H GLY 2 -7.623 1.078 -5.000 5 HA2 GLY 2 2HA GLY 2 -7.009 -1.505 -3.836 6 HA3 GLY 2 1HA GLY 2 -5.965 -0.550 -4.889 7 H VAL 3 H VAL 3 -7.358 -0.537 -1.650 8 HA VAL 3 HA VAL 3 -5.145 1.067 -0.698 9 HB VAL 3 HB VAL 3 -6.641 1.569 1.160 10 HG11 VAL 3 1HG1 VAL 3 -7.698 2.208 -1.589 11 HG12 VAL 3 2HG1 VAL 3 -6.500 3.124 -0.660 12 HG13 VAL 3 3HG1 VAL 3 -8.173 3.044 -0.111 13 HG21 VAL 3 1HG2 VAL 3 -8.723 0.110 -0.457 14 HG22 VAL 3 2HG2 VAL 3 -9.044 1.081 0.978 15 HG23 VAL 3 3HG2 VAL 3 -8.075 -0.386 1.106 16 H CYS 4 H CYS 4 -4.397 0.646 1.347 17 HA CYS 4 HA CYS 4 -4.650 -2.137 2.238 18 HB2 CYS 4 2HB CYS 4 -2.529 -0.061 2.875 19 HB3 CYS 4 1HB CYS 4 -2.587 -1.665 3.586 20 HA PRO 5 HA PRO 5 -7.258 -0.437 5.471 21 HB2 PRO 5 2HB PRO 5 -7.308 -2.648 7.085 22 HB3 PRO 5 1HB PRO 5 -8.282 -2.486 5.618 23 HG2 PRO 5 2HG PRO 5 -5.689 -3.925 6.016 24 HG3 PRO 5 1HG PRO 5 -7.127 -4.426 5.108 25 HD2 PRO 5 2HD PRO 5 -4.936 -3.421 3.905 26 HD3 PRO 5 1HD PRO 5 -6.575 -3.135 3.273 27 H LYS 6 H LYS 6 -4.109 -1.493 5.816 28 HA LYS 6 HA LYS 6 -3.761 -0.759 8.612 29 HB2 LYS 6 2HB LYS 6 -1.805 -1.695 6.499 30 HB3 LYS 6 1HB LYS 6 -1.418 -1.438 8.188 31 HG2 LYS 6 2HG LYS 6 -3.380 -3.476 7.148 32 HG3 LYS 6 1HG LYS 6 -1.721 -3.817 7.625 33 HD2 LYS 6 2HD LYS 6 -2.270 -2.988 9.906 34 HD3 LYS 6 1HD LYS 6 -3.947 -2.802 9.396 35 HE2 LYS 6 2HE LYS 6 -3.672 -4.899 10.590 36 HE3 LYS 6 1HE LYS 6 -4.046 -5.211 8.896 37 HZ1 LYS 6 1HZ LYS 6 -2.293 -6.655 9.683 38 HZ2 LYS 6 2HZ LYS 6 -1.340 -5.358 10.136 39 HZ3 LYS 6 3HZ LYS 6 -1.673 -5.636 8.506 40 H ILE 7 H ILE 7 -1.268 0.450 8.513 41 HA ILE 7 HA ILE 7 -1.874 2.999 7.255 42 HB ILE 7 HB ILE 7 0.096 3.861 8.460 43 HG12 ILE 7 2HG1 ILE 7 0.374 1.060 9.612 44 HG13 ILE 7 1HG1 ILE 7 1.454 1.780 8.431 45 HG21 ILE 7 1HG2 ILE 7 -2.030 3.973 9.558 46 HG22 ILE 7 2HG2 ILE 7 -0.770 3.643 10.749 47 HG23 ILE 7 3HG2 ILE 7 -1.825 2.341 10.193 48 HD11 ILE 7 1HD1 ILE 7 2.401 1.840 10.670 49 HD12 ILE 7 2HD1 ILE 7 1.014 2.770 11.240 50 HD13 ILE 7 3HD1 ILE 7 2.119 3.469 10.056 51 H LEU 8 H LEU 8 0.534 3.976 6.633 52 HA LEU 8 HA LEU 8 1.162 2.767 4.198 53 HB2 LEU 8 2HB LEU 8 2.995 4.351 3.979 54 HB3 LEU 8 1HB LEU 8 1.566 5.159 4.559 55 HG LEU 8 HG LEU 8 3.953 4.420 6.281 56 HD11 LEU 8 1HD1 LEU 8 3.183 7.053 5.062 57 HD12 LEU 8 2HD1 LEU 8 4.578 6.061 4.638 58 HD13 LEU 8 3HD1 LEU 8 4.479 6.810 6.231 59 HD21 LEU 8 1HD2 LEU 8 2.988 6.001 7.912 60 HD22 LEU 8 2HD2 LEU 8 1.930 4.629 7.618 61 HD23 LEU 8 3HD2 LEU 8 1.566 6.191 6.881 62 H GLN 9 H GLN 9 1.780 0.712 4.265 63 HA GLN 9 HA GLN 9 4.128 0.081 5.860 64 HB2 GLN 9 2HB GLN 9 3.547 -2.306 5.507 65 HB3 GLN 9 1HB GLN 9 2.309 -1.407 6.365 66 HG2 GLN 9 2HG GLN 9 0.965 -1.307 4.331 67 HG3 GLN 9 1HG GLN 9 2.227 -2.169 3.450 68 HE21 GLN 9 1HE2 GLN 9 2.543 -4.367 3.841 69 HE22 GLN 9 2HE2 GLN 9 1.393 -5.320 4.697 70 H ARG 10 H ARG 10 5.951 -0.618 4.989 71 HA ARG 10 HA ARG 10 6.406 0.019 2.260 72 HB2 ARG 10 2HB ARG 10 8.219 -1.215 4.335 73 HB3 ARG 10 1HB ARG 10 8.745 -0.776 2.714 74 HG2 ARG 10 2HG ARG 10 8.168 1.546 3.125 75 HG3 ARG 10 1HG ARG 10 7.585 1.130 4.730 76 HD2 ARG 10 2HD ARG 10 9.844 0.451 5.373 77 HD3 ARG 10 1HD ARG 10 10.427 0.848 3.754 78 HE ARG 10 HE ARG 10 9.328 3.148 4.449 79 HH11 ARG 10 1HH1 ARG 10 11.600 1.117 6.228 80 HH12 ARG 10 2HH1 ARG 10 12.217 2.385 7.182 81 HH21 ARG 10 1HH2 ARG 10 10.185 4.894 5.709 82 HH22 ARG 10 2HH2 ARG 10 11.384 4.598 6.883 83 H CYS 11 H CYS 11 7.263 -1.455 0.662 84 HA CYS 11 HA CYS 11 6.146 -4.150 1.036 85 HB2 CYS 11 2HB CYS 11 5.539 -4.162 -1.340 86 HB3 CYS 11 1HB CYS 11 4.724 -2.872 -0.474 87 H ARG 12 H ARG 12 7.360 -5.771 0.524 88 HA ARG 12 HA ARG 12 10.041 -5.220 -0.500 89 HB2 ARG 12 2HB ARG 12 8.851 -7.853 0.448 90 HB3 ARG 12 1HB ARG 12 10.503 -7.645 -0.086 91 HG2 ARG 12 2HG ARG 12 10.519 -7.743 2.298 92 HG3 ARG 12 1HG ARG 12 10.835 -6.067 1.855 93 HD2 ARG 12 2HD ARG 12 8.545 -5.479 2.339 94 HD3 ARG 12 1HD ARG 12 8.139 -7.164 2.624 95 HE ARG 12 HE ARG 12 10.160 -5.919 4.290 96 HH11 ARG 12 1HH1 ARG 12 6.876 -7.282 3.959 97 HH12 ARG 12 2HH1 ARG 12 6.523 -7.224 5.615 98 HH21 ARG 12 1HH2 ARG 12 9.647 -5.845 6.622 99 HH22 ARG 12 2HH2 ARG 12 8.122 -6.371 7.154 100 H ARG 13 H ARG 13 7.029 -6.680 -1.389 101 HA ARG 13 HA ARG 13 7.564 -6.557 -4.144 102 HB2 ARG 13 2HB ARG 13 7.246 -9.003 -4.624 103 HB3 ARG 13 1HB ARG 13 8.783 -8.616 -3.902 104 HG2 ARG 13 2HG ARG 13 7.930 -9.402 -1.724 105 HG3 ARG 13 1HG ARG 13 6.402 -9.823 -2.502 106 HD2 ARG 13 2HD ARG 13 9.093 -10.940 -3.285 107 HD3 ARG 13 1HD ARG 13 7.958 -11.765 -2.227 108 HE ARG 13 HE ARG 13 6.741 -11.049 -4.687 109 HH11 ARG 13 1HH1 ARG 13 9.076 -13.404 -3.391 110 HH12 ARG 13 2HH1 ARG 13 8.637 -14.611 -4.499 111 HH21 ARG 13 1HH2 ARG 13 6.166 -12.759 -6.202 112 HH22 ARG 13 2HH2 ARG 13 6.990 -14.257 -6.094 113 H ASP 14 H ASP 14 5.635 -7.915 -5.267 114 HA ASP 14 HA ASP 14 3.291 -6.545 -4.478 115 HB2 ASP 14 2HB ASP 14 3.714 -7.302 -6.815 116 HB3 ASP 14 1HB ASP 14 3.469 -8.961 -6.289 117 H SER 15 H SER 15 4.127 -9.983 -4.284 118 HA SER 15 HA SER 15 1.789 -10.898 -3.037 119 HB2 SER 15 2HB SER 15 4.578 -12.004 -2.802 120 HB3 SER 15 1HB SER 15 3.064 -12.895 -2.586 121 HG SER 15 HG SER 15 2.719 -11.937 -4.874 122 H ASP 16 H ASP 16 4.428 -9.160 -1.800 123 HA ASP 16 HA ASP 16 4.225 -9.961 0.936 124 HB2 ASP 16 2HB ASP 16 6.350 -9.190 0.173 125 HB3 ASP 16 1HB ASP 16 5.653 -7.729 -0.499 126 H CYS 17 H CYS 17 2.724 -7.606 -1.118 127 HA CYS 17 HA CYS 17 1.532 -6.169 1.085 128 HB2 CYS 17 2HB CYS 17 1.101 -5.969 -1.907 129 HB3 CYS 17 1HB CYS 17 0.369 -4.913 -0.709 130 HA PRO 18 HA PRO 18 -1.802 -9.141 1.085 131 HB2 PRO 18 2HB PRO 18 -3.248 -8.061 3.079 132 HB3 PRO 18 1HB PRO 18 -1.759 -8.952 3.372 133 HG2 PRO 18 2HG PRO 18 -2.239 -6.008 3.402 134 HG3 PRO 18 1HG PRO 18 -1.115 -6.967 4.368 135 HD2 PRO 18 2HD PRO 18 -0.455 -5.448 2.137 136 HD3 PRO 18 1HD PRO 18 0.535 -6.737 2.846 137 H GLY 19 H GLY 19 -3.783 -9.314 0.191 138 HA2 GLY 19 2HA GLY 19 -5.806 -8.782 -0.733 139 HA3 GLY 19 1HA GLY 19 -5.764 -7.302 0.209 140 H ALA 20 H ALA 20 -6.408 -5.849 -1.242 141 HA ALA 20 HA ALA 20 -5.634 -5.936 -4.015 142 HB1 ALA 20 1HB ALA 20 -7.115 -4.008 -4.240 143 HB2 ALA 20 2HB ALA 20 -7.234 -3.880 -2.488 144 HB3 ALA 20 3HB ALA 20 -7.899 -5.289 -3.316 145 H CYS 21 H CYS 21 -3.634 -5.423 -1.920 146 HA CYS 21 HA CYS 21 -2.820 -2.674 -2.393 147 HB2 CYS 21 2HB CYS 21 -1.709 -4.832 -0.622 148 HB3 CYS 21 1HB CYS 21 -0.975 -3.240 -0.810 149 H ILE 22 H ILE 22 -1.250 -2.098 -3.725 150 HA ILE 22 HA ILE 22 0.303 -4.204 -5.068 151 HB ILE 22 HB ILE 22 0.614 -2.497 -6.894 152 HG12 ILE 22 2HG1 ILE 22 -1.548 -0.988 -5.394 153 HG13 ILE 22 1HG1 ILE 22 0.121 -0.470 -5.582 154 HG21 ILE 22 1HG2 ILE 22 -0.971 -4.258 -7.196 155 HG22 ILE 22 2HG2 ILE 22 -1.634 -2.765 -7.861 156 HG23 ILE 22 3HG2 ILE 22 -2.203 -3.365 -6.302 157 HD11 ILE 22 1HD1 ILE 22 -0.225 -0.255 -7.992 158 HD12 ILE 22 2HD1 ILE 22 -1.370 0.732 -7.085 159 HD13 ILE 22 3HD1 ILE 22 -1.893 -0.792 -7.802 160 H CYS 23 H CYS 23 2.519 -3.867 -5.302 161 HA CYS 23 HA CYS 23 3.701 -2.184 -3.294 162 HB2 CYS 23 2HB CYS 23 4.589 -4.468 -3.819 163 HB3 CYS 23 1HB CYS 23 5.006 -3.913 -5.428 164 H ARG 24 H ARG 24 4.101 -0.131 -3.619 165 HA ARG 24 HA ARG 24 3.966 0.974 -6.289 166 HB2 ARG 24 2HB ARG 24 4.077 2.243 -3.554 167 HB3 ARG 24 1HB ARG 24 3.926 3.150 -5.059 168 HG2 ARG 24 2HG ARG 24 1.938 1.186 -3.926 169 HG3 ARG 24 1HG ARG 24 1.810 2.943 -3.859 170 HD2 ARG 24 2HD ARG 24 1.828 1.243 -6.353 171 HD3 ARG 24 1HD ARG 24 0.422 2.010 -5.634 172 HE ARG 24 HE ARG 24 2.242 4.021 -6.081 173 HH11 ARG 24 1HH1 ARG 24 0.495 1.689 -8.112 174 HH12 ARG 24 2HH1 ARG 24 0.417 2.707 -9.468 175 HH21 ARG 24 1HH2 ARG 24 2.169 5.393 -7.989 176 HH22 ARG 24 2HH2 ARG 24 1.380 4.859 -9.394 177 H GLY 25 H GLY 25 5.549 2.546 -6.959 178 HA2 GLY 25 2HA GLY 25 8.165 1.522 -6.867 179 HA3 GLY 25 1HA GLY 25 7.678 3.049 -7.580 180 H ASN 26 H ASN 26 6.580 3.864 -4.902 181 HA ASN 26 HA ASN 26 8.942 5.129 -3.926 182 HB2 ASN 26 2HB ASN 26 7.546 6.233 -2.317 183 HB3 ASN 26 1HB ASN 26 6.651 6.167 -3.828 184 HD21 ASN 26 1HD2 ASN 26 5.658 6.544 -1.182 185 HD22 ASN 26 2HD2 ASN 26 4.551 5.264 -0.860 186 H GLY 27 H GLY 27 7.520 2.118 -3.347 187 HA2 GLY 27 2HA GLY 27 8.816 0.481 -2.217 188 HA3 GLY 27 1HA GLY 27 9.389 1.735 -1.126 189 H TYR 28 H TYR 28 6.160 2.208 -1.603 190 HA TYR 28 HA TYR 28 5.517 0.661 0.791 191 HB2 TYR 28 2HB TYR 28 4.459 3.299 -0.202 192 HB3 TYR 28 1HB TYR 28 3.591 2.336 0.985 193 HD1 TYR 28 1HD TYR 28 6.598 4.386 0.392 194 HD2 TYR 28 2HD TYR 28 4.380 2.145 3.224 195 HE1 TYR 28 1HE TYR 28 7.914 5.385 2.211 196 HE2 TYR 28 2HE TYR 28 5.671 3.124 5.045 197 HH TYR 28 HH TYR 28 7.674 5.813 4.622 198 H CYS 29 H CYS 29 3.326 -0.106 0.924 199 HA CYS 29 HA CYS 29 2.532 -1.316 -1.548 200 HB2 CYS 29 2HB CYS 29 1.322 -1.385 1.224 201 HB3 CYS 29 1HB CYS 29 0.645 -2.246 -0.147 202 H GLY 30 H GLY 30 0.016 -1.315 -1.826 203 HA2 GLY 30 2HA GLY 30 -0.980 0.953 -2.931 204 HA3 GLY 30 1HA GLY 30 -2.028 -0.244 -2.181 205 H TYR 31 H TYR 31 -2.364 2.597 -2.340 206 HA TYR 31 HA TYR 31 -1.477 4.036 -0.205 207 HB2 TYR 31 2HB TYR 31 -4.082 4.382 -1.687 208 HB3 TYR 31 1HB TYR 31 -3.312 5.614 -0.683 209 HD1 TYR 31 1HD TYR 31 -3.571 4.278 -3.977 210 HD2 TYR 31 2HD TYR 31 -0.883 6.276 -1.351 211 HE1 TYR 31 1HE TYR 31 -2.217 4.982 -5.902 212 HE2 TYR 31 2HE TYR 31 0.464 6.993 -3.263 213 HH TYR 31 HH TYR 31 0.892 6.200 -5.573 214 HA PRO 32 HA PRO 32 -3.344 2.043 3.186 215 HB2 PRO 32 2HB PRO 32 -2.721 3.895 5.063 216 HB3 PRO 32 1HB PRO 32 -1.569 2.727 4.409 217 HG2 PRO 32 2HG PRO 32 -1.984 5.593 3.672 218 HG3 PRO 32 1HG PRO 32 -0.468 4.703 3.909 219 HD2 PRO 32 2HD PRO 32 -1.453 5.223 1.475 220 HD3 PRO 32 1HD PRO 32 -0.574 3.720 1.832 221 H TYR 33 H TYR 33 -4.736 2.507 5.000 222 HA TYR 33 HA TYR 33 -7.135 3.772 4.136 223 HB2 TYR 33 2HB TYR 33 -7.091 1.670 5.382 224 HB3 TYR 33 1HB TYR 33 -6.398 2.491 6.764 225 HD1 TYR 33 1HD TYR 33 -9.389 2.682 4.547 226 HD2 TYR 33 2HD TYR 33 -7.820 3.162 8.467 227 HE1 TYR 33 1HE TYR 33 -11.641 3.130 5.380 228 HE2 TYR 33 2HE TYR 33 -10.058 3.612 9.316 229 HH TYR 33 HH TYR 33 -12.875 3.045 7.460 230 H ASP 34 H ASP 34 -4.441 4.696 6.003 231 HA ASP 34 HA ASP 34 -5.789 6.709 7.511 232 HB2 ASP 34 2HB ASP 34 -3.671 7.392 8.403 233 HB3 ASP 34 1HB ASP 34 -3.652 5.642 8.311 234 H VAL 35 H VAL 35 -4.847 6.591 4.265 235 HA VAL 35 HA VAL 35 -4.887 9.480 4.204 236 HB VAL 35 HB VAL 35 -3.942 9.390 1.936 237 HG11 VAL 35 1HG1 VAL 35 -2.341 7.872 3.973 238 HG12 VAL 35 2HG1 VAL 35 -2.443 9.621 3.815 239 HG13 VAL 35 3HG1 VAL 35 -1.673 8.663 2.548 240 HG21 VAL 35 1HG2 VAL 35 -2.978 7.292 1.047 241 HG22 VAL 35 2HG2 VAL 35 -4.735 7.222 1.170 242 HG23 VAL 35 3HG2 VAL 35 -3.735 6.407 2.371 243 HA PRO 36 HA PRO 36 -9.043 8.919 2.821 244 HB2 PRO 36 2HB PRO 36 -9.791 11.488 2.904 245 HB3 PRO 36 1HB PRO 36 -9.480 10.561 4.377 246 HG2 PRO 36 2HG PRO 36 -7.721 12.537 2.980 247 HG3 PRO 36 1HG PRO 36 -8.019 12.327 4.714 248 HD2 PRO 36 2HD PRO 36 -5.812 11.352 3.402 249 HD3 PRO 36 1HD PRO 36 -6.466 10.667 4.904 250 H ASP 37 H ASP 37 -6.600 10.435 1.045 251 HA ASP 37 HA ASP 37 -8.254 11.611 -0.982 252 HB2 ASP 37 2HB ASP 37 -6.262 12.181 -2.162 253 HB3 ASP 37 1HB ASP 37 -5.979 12.460 -0.452 254 H TYR 38 H TYR 38 -7.268 8.394 -0.447 255 HA TYR 38 HA TYR 38 -8.121 7.795 -3.157 256 HB2 TYR 38 2HB TYR 38 -5.675 7.727 -3.222 257 HB3 TYR 38 1HB TYR 38 -5.648 6.606 -1.869 258 HD1 TYR 38 1HD TYR 38 -6.540 6.967 -5.453 259 HD2 TYR 38 2HD TYR 38 -5.987 4.274 -2.218 260 HE1 TYR 38 1HE TYR 38 -6.626 5.075 -7.014 261 HE2 TYR 38 2HE TYR 38 -6.059 2.379 -3.754 262 HH TYR 38 HH TYR 38 -5.841 2.714 -7.102 263 H ALA 39 H ALA 39 -9.247 5.917 -3.422 264 HA ALA 39 HA ALA 39 -9.645 4.146 -1.193 265 HB1 ALA 39 1HB ALA 39 -11.487 5.751 -1.058 266 HB2 ALA 39 2HB ALA 39 -12.085 4.203 -1.656 267 HB3 ALA 39 3HB ALA 39 -11.817 5.538 -2.775
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