NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
635909 | 6qan | 34339 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 H1 ARG 1 7.068 10.366 -3.456 2 H2 ARG 1 H2 ARG 1 7.788 10.504 -4.927 3 H3 ARG 1 H3 ARG 1 7.217 11.833 -4.162 4 HA ARG 1 HA ARG 1 8.837 11.624 -2.418 5 HB2 ARG 1 HB2 ARG 1 9.819 9.217 -3.927 6 HB3 ARG 1 HB3 ARG 1 10.777 9.951 -2.954 7 HG2 ARG 1 HG2 ARG 1 8.289 8.595 -1.949 8 HG3 ARG 1 HG3 ARG 1 9.734 8.043 -1.844 9 HD2 ARG 1 HD2 ARG 1 10.275 10.333 -0.512 10 HD3 ARG 1 HD3 ARG 1 8.764 10.569 -0.459 11 HE ARG 1 HE ARG 1 8.951 7.918 0.462 12 HH11 ARG 1 HH11 ARG 1 10.051 11.069 1.561 13 HH12 ARG 1 HH12 ARG 1 10.308 10.494 3.186 14 HH21 ARG 1 HH21 ARG 1 9.511 7.233 2.440 15 HH22 ARG 1 HH22 ARG 1 9.943 8.380 3.702 16 H ASP 2 H ASP 2 11.006 12.474 -2.572 17 HA ASP 2 HA ASP 2 11.824 13.450 -5.276 18 HB2 ASP 2 HB2 ASP 2 10.664 15.240 -3.868 19 HB3 ASP 2 HB3 ASP 2 11.651 15.075 -2.739 20 HA PRO 3 HA PRO 3 15.908 12.922 -2.940 21 HB2 PRO 3 HB2 PRO 3 16.193 12.159 -0.413 22 HB3 PRO 3 HB3 PRO 3 15.815 13.592 -0.741 23 HG2 PRO 3 HG2 PRO 3 13.722 11.692 0.223 24 HG3 PRO 3 HG3 PRO 3 13.949 13.071 0.651 25 HD2 PRO 3 HD2 PRO 3 12.150 12.973 -1.366 26 HD3 PRO 3 HD3 PRO 3 13.074 14.186 -1.229 27 H LEU 4 H LEU 4 13.443 10.488 -2.322 28 HA LEU 4 HA LEU 4 13.327 8.233 -2.565 29 HB2 LEU 4 HB2 LEU 4 13.542 9.594 -4.984 30 HB3 LEU 4 HB3 LEU 4 14.594 8.564 -5.269 31 HG LEU 4 HG LEU 4 11.789 7.771 -4.347 32 HD11 LEU 4 HD11 LEU 4 11.392 7.173 -6.698 33 HD12 LEU 4 HD12 LEU 4 13.019 7.749 -7.132 34 HD13 LEU 4 HD13 LEU 4 11.790 8.891 -6.542 35 HD21 LEU 4 HD21 LEU 4 12.306 5.519 -5.200 36 HD22 LEU 4 HD22 LEU 4 13.392 5.962 -3.877 37 HD23 LEU 4 HD23 LEU 4 13.974 6.029 -5.554 38 H LEU 5 H LEU 5 15.475 8.515 -0.946 39 HA LEU 5 HA LEU 5 17.900 7.331 -1.898 40 HB2 LEU 5 HB2 LEU 5 17.046 7.463 0.976 41 HB3 LEU 5 HB3 LEU 5 18.495 7.186 0.516 42 HG LEU 5 HG LEU 5 17.073 9.807 -0.103 43 HD11 LEU 5 HD11 LEU 5 17.563 9.482 2.290 44 HD12 LEU 5 HD12 LEU 5 18.573 10.756 1.587 45 HD13 LEU 5 HD13 LEU 5 19.267 9.148 1.903 46 HD21 LEU 5 HD21 LEU 5 18.786 9.380 -1.804 47 HD22 LEU 5 HD22 LEU 5 19.979 8.985 -0.543 48 HD23 LEU 5 HD23 LEU 5 19.340 10.638 -0.699 49 H ASP 6 H ASP 6 15.130 5.842 -0.240 50 HA ASP 6 HA ASP 6 16.052 3.149 -1.103 51 HB2 ASP 6 HB2 ASP 6 16.768 3.836 1.381 52 HB3 ASP 6 HB3 ASP 6 15.314 3.750 1.786 53 H ALA 7 H ALA 7 13.548 5.250 -1.143 54 HA ALA 7 HA ALA 7 11.296 3.897 -0.160 55 HB1 ALA 7 HB1 ALA 7 10.025 5.410 -1.604 56 HB2 ALA 7 HB2 ALA 7 11.347 6.264 -0.790 57 HB3 ALA 7 HB3 ALA 7 11.491 5.821 -2.510 58 H NLE 8 H NLE 8 12.930 3.460 -3.281 59 HA NLE 8 HA NLE 8 10.965 2.050 -4.658 60 HB2 NLE 8 HB2 NLE 8 12.566 1.425 -6.202 61 HB3 NLE 8 HB3 NLE 8 13.112 2.969 -5.594 62 HG2 NLE 8 HG2 NLE 8 14.223 0.214 -4.863 63 HG3 NLE 8 HG3 NLE 8 14.941 1.352 -5.983 64 HD2 NLE 8 HD2 NLE 8 14.675 1.788 -2.980 65 HD3 NLE 8 HD3 NLE 8 16.123 1.288 -3.844 66 HE1 NLE 8 HE1 NLE 8 16.070 3.441 -5.140 67 HE2 NLE 8 HE2 NLE 8 14.713 3.968 -4.117 68 HE3 NLE 8 HE3 NLE 8 16.298 3.654 -3.395 69 H ARG 9 H ARG 9 12.828 0.856 -1.990 70 HA ARG 9 HA ARG 9 11.910 -1.968 -2.452 71 HB2 ARG 9 HB2 ARG 9 13.659 -1.084 -0.183 72 HB3 ARG 9 HB3 ARG 9 13.314 -2.548 -0.545 73 HG2 ARG 9 HG2 ARG 9 14.518 -2.026 -2.880 74 HG3 ARG 9 HG3 ARG 9 15.001 -0.711 -2.294 75 HD2 ARG 9 HD2 ARG 9 15.872 -3.355 -1.125 76 HD3 ARG 9 HD3 ARG 9 16.752 -2.358 -1.898 77 HE ARG 9 HE ARG 9 16.264 -0.632 -0.015 78 HH11 ARG 9 HH11 ARG 9 16.578 -4.073 0.619 79 HH12 ARG 9 HH12 ARG 9 16.842 -3.805 2.321 80 HH21 ARG 9 HH21 ARG 9 16.422 -0.383 2.115 81 HH22 ARG 9 HH22 ARG 9 16.820 -1.746 3.144 82 H ARG 10 H ARG 10 12.018 0.307 0.275 83 HA ARG 10 HA ARG 10 10.158 -1.224 1.823 84 HB2 ARG 10 HB2 ARG 10 10.732 0.364 3.525 85 HB3 ARG 10 HB3 ARG 10 12.020 0.070 2.737 86 HG2 ARG 10 HG2 ARG 10 11.133 2.336 1.361 87 HG3 ARG 10 HG3 ARG 10 10.402 2.620 2.650 88 HD2 ARG 10 HD2 ARG 10 13.411 2.305 2.596 89 HD3 ARG 10 HD3 ARG 10 12.655 3.644 2.693 90 HE ARG 10 HE ARG 10 11.625 2.787 4.892 91 HH11 ARG 10 HH11 ARG 10 14.837 1.652 3.854 92 HH12 ARG 10 HH12 ARG 10 15.336 1.457 5.512 93 HH21 ARG 10 HH21 ARG 10 12.380 2.443 6.922 94 HH22 ARG 10 HH22 ARG 10 14.002 1.862 7.173 95 H GLU 11 H GLU 11 9.578 1.633 -0.155 96 HA GLU 11 HA GLU 11 6.701 1.680 0.681 97 HB2 GLU 11 HB2 GLU 11 8.202 3.711 -0.947 98 HB3 GLU 11 HB3 GLU 11 6.690 3.781 -0.754 99 HG2 GLU 11 HG2 GLU 11 6.846 4.068 1.683 100 HG3 GLU 11 HG3 GLU 11 8.239 3.467 1.821 101 H GLY 12 H GLY 12 8.831 1.018 -2.093 102 HA2 GLY 12 HA2 GLY 12 6.908 0.478 -4.095 103 HA3 GLY 12 HA3 GLY 12 8.466 -0.342 -3.918 104 H ALA 13 H ALA 13 8.110 -1.751 -1.508 105 HA ALA 13 HA ALA 13 6.379 -3.938 -2.202 106 HB1 ALA 13 HB1 ALA 13 8.423 -4.200 -0.871 107 HB2 ALA 13 HB2 ALA 13 7.723 -3.216 0.436 108 HB3 ALA 13 HB3 ALA 13 7.009 -4.790 0.021 109 H NLE 14 H NLE 14 6.007 -1.282 0.177 110 HA NLE 14 HA NLE 14 3.560 -2.130 1.304 111 HB2 NLE 14 HB2 NLE 14 5.174 -0.405 2.160 112 HB3 NLE 14 HB3 NLE 14 4.501 0.743 0.991 113 HG2 NLE 14 HG2 NLE 14 2.256 0.461 2.032 114 HG3 NLE 14 HG3 NLE 14 2.932 -0.692 3.188 115 HD2 NLE 14 HD2 NLE 14 3.729 2.247 2.933 116 HD3 NLE 14 HD3 NLE 14 2.614 1.581 4.130 117 HE1 NLE 14 HE1 NLE 14 4.766 1.901 5.182 118 HE2 NLE 14 HE2 NLE 14 4.479 0.155 5.031 119 HE3 NLE 14 HE3 NLE 14 5.597 0.984 3.918 120 H ASP 15 H ASP 15 4.173 -0.201 -1.619 121 HA ASP 15 HA ASP 15 1.522 0.555 -2.251 122 HB2 ASP 15 HB2 ASP 15 3.784 1.245 -3.370 123 HB3 ASP 15 HB3 ASP 15 3.823 -0.066 -4.133 124 H PHE 16 H PHE 16 2.906 -2.664 -2.451 125 HA PHE 16 HA PHE 16 0.421 -3.549 -3.858 126 HB2 PHE 16 HB2 PHE 16 1.582 -5.310 -4.862 127 HB3 PHE 16 HB3 PHE 16 2.297 -3.981 -5.250 128 HD1 PHE 16 HD1 PHE 16 2.627 -6.712 -2.646 129 HD2 PHE 16 HD2 PHE 16 4.635 -3.918 -5.252 130 HE1 PHE 16 HE1 PHE 16 4.807 -7.750 -2.085 131 HE2 PHE 16 HE2 PHE 16 6.805 -4.997 -4.729 132 HZ PHE 16 HZ PHE 16 6.899 -6.909 -3.138 133 H TRP 17 H TRP 17 2.036 -3.719 -0.814 134 HA TRP 17 HA TRP 17 0.331 -5.866 0.234 135 HB2 TRP 17 HB2 TRP 17 2.286 -4.943 1.535 136 HB3 TRP 17 HB3 TRP 17 1.740 -3.501 1.516 137 HD1 TRP 17 HD1 TRP 17 0.459 -2.692 3.540 138 HE1 TRP 17 HE1 TRP 17 -0.798 -3.743 5.517 139 HE3 TRP 17 HE3 TRP 17 0.682 -7.617 2.124 140 HZ2 TRP 17 HZ2 TRP 17 -1.593 -6.375 6.384 141 HZ3 TRP 17 HZ3 TRP 17 -0.321 -9.377 3.563 142 HH2 TRP 17 HH2 TRP 17 -1.429 -8.773 5.703 143 H SER 18 H SER 18 0.087 -2.272 0.253 144 HA SER 18 HA SER 18 -2.540 -2.154 1.336 145 HB2 SER 18 HB2 SER 18 -2.342 0.256 0.746 146 HB3 SER 18 HB3 SER 18 -1.058 -0.255 1.431 147 HG SER 18 HG SER 18 0.051 -0.299 -0.455 148 H ALA 19 H ALA 19 -1.602 -2.861 -1.939 149 HA ALA 19 HA ALA 19 -4.026 -2.227 -3.297 150 HB1 ALA 19 HB1 ALA 19 -1.876 -2.740 -4.404 151 HB2 ALA 19 HB2 ALA 19 -1.993 -4.433 -3.848 152 HB3 ALA 19 HB3 ALA 19 -3.177 -3.783 -4.997 153 H GLY 20 H GLY 20 -3.439 -4.713 -0.953 154 HA2 GLY 20 HA2 GLY 20 -6.166 -5.850 -1.447 155 HA3 GLY 20 HA3 GLY 20 -4.774 -6.914 -1.228 156 H ABA 21 H ABU 21 -3.655 -5.037 0.857 157 HA ABA 21 HA ABU 21 -3.454 -5.019 3.082 158 HB3 ABA 21 HB3 ABU 21 -6.270 -3.910 2.923 159 HB2 ABA 21 HB2 ABU 21 -4.810 -3.041 2.430 160 HG1 ABA 21 HG1 ABU 21 -5.454 -2.381 4.688 161 HG3 ABA 21 HG3 ABU 21 -3.899 -3.235 4.728 162 HG2 ABA 21 HG2 ABU 21 -5.390 -4.064 5.242 163 H TYR 22 H TYR 22 -3.173 -7.091 3.769 164 HA TYR 22 HA TYR 22 -3.523 -9.107 4.692 165 HB2 TYR 22 HB2 TYR 22 -6.273 -8.460 5.606 166 HB3 TYR 22 HB3 TYR 22 -5.369 -9.629 6.133 167 HD1 TYR 22 HD1 TYR 22 -3.247 -9.230 7.460 168 HD2 TYR 22 HD2 TYR 22 -6.130 -6.132 6.567 169 HE1 TYR 22 HE1 TYR 22 -2.382 -7.858 9.362 170 HE2 TYR 22 HE2 TYR 22 -5.267 -4.775 8.474 171 HH TYR 22 HH TYR 22 -3.775 -4.679 10.210 172 H ALA 23 H ALA 23 -4.295 -8.487 1.882 173 HA ALA 23 HA ALA 23 -5.408 -9.287 0.073 174 HB1 ALA 23 HB1 ALA 23 -5.208 -11.692 -0.280 175 HB2 ALA 23 HB2 ALA 23 -3.747 -11.052 0.494 176 HB3 ALA 23 HB3 ALA 23 -4.939 -11.952 1.455 177 H ARG 24 H ARG 24 -7.112 -8.194 1.813 178 HA ARG 24 HA ARG 24 -9.556 -9.902 2.070 179 HB2 ARG 24 HB2 ARG 24 -8.398 -9.142 4.115 180 HB3 ARG 24 HB3 ARG 24 -8.372 -7.617 3.675 181 HG2 ARG 24 HG2 ARG 24 -10.102 -7.816 5.324 182 HG3 ARG 24 HG3 ARG 24 -10.673 -7.252 4.027 183 HD2 ARG 24 HD2 ARG 24 -11.489 -9.758 3.510 184 HD3 ARG 24 HD3 ARG 24 -10.961 -10.158 4.893 185 HE ARG 24 HE ARG 24 -12.781 -9.175 5.942 186 HH11 ARG 24 HH11 ARG 24 -12.516 -7.662 2.774 187 HH12 ARG 24 HH12 ARG 24 -14.038 -6.816 2.960 188 HH21 ARG 24 HH21 ARG 24 -14.696 -7.997 6.104 189 HH22 ARG 24 HH22 ARG 24 -15.181 -6.979 4.772 190 H GLY 25 H GLY 25 -8.465 -7.793 -0.082 191 HA2 GLY 25 HA2 GLY 25 -9.604 -6.668 -1.770 192 HA3 GLY 25 HA3 GLY 25 -11.127 -6.879 -0.901 193 H VAL 26 H VAL 26 -8.374 -5.473 0.740 194 HA VAL 26 HA VAL 26 -8.270 -3.591 1.997 195 HB VAL 26 HB VAL 26 -6.910 -3.140 0.187 196 HG11 VAL 26 HG11 VAL 26 -9.204 -1.807 -1.283 197 HG12 VAL 26 HG12 VAL 26 -7.491 -1.735 -1.735 198 HG13 VAL 26 HG13 VAL 26 -8.340 -3.282 -1.758 199 HG21 VAL 26 HG21 VAL 26 -8.359 -0.564 0.849 200 HG22 VAL 26 HG22 VAL 26 -7.215 -1.397 1.930 201 HG23 VAL 26 HG23 VAL 26 -6.669 -0.769 0.368 202 HA PRO 27 HA PRO 27 -12.739 -3.542 2.615 203 HB2 PRO 27 HB2 PRO 27 -12.109 -2.370 5.275 204 HB3 PRO 27 HB3 PRO 27 -13.136 -3.352 4.942 205 HG2 PRO 27 HG2 PRO 27 -10.939 -4.672 5.602 206 HG3 PRO 27 HG3 PRO 27 -11.729 -5.207 4.426 207 HD2 PRO 27 HD2 PRO 27 -9.181 -3.767 3.941 208 HD3 PRO 27 HD3 PRO 27 -9.775 -4.930 3.206 209 H LEU 28 H LEU 28 -11.011 -0.474 3.417 210 HA LEU 28 HA LEU 28 -13.310 1.176 3.208 211 HB2 LEU 28 HB2 LEU 28 -11.776 2.981 3.346 212 HB3 LEU 28 HB3 LEU 28 -11.485 1.916 4.482 213 HG LEU 28 HG LEU 28 -9.478 2.966 3.594 214 HD11 LEU 28 HD11 LEU 28 -9.312 -0.006 3.007 215 HD12 LEU 28 HD12 LEU 28 -9.356 0.703 4.650 216 HD13 LEU 28 HD13 LEU 28 -8.036 1.089 3.536 217 HD21 LEU 28 HD21 LEU 28 -10.124 3.112 1.197 218 HD22 LEU 28 HD22 LEU 28 -9.820 1.364 1.047 219 HD23 LEU 28 HD23 LEU 28 -8.497 2.457 1.475 220 H SER 29 H SER 29 -11.754 -0.352 0.641 221 HA SER 29 HA SER 29 -13.250 1.325 -1.327 222 HB2 SER 29 HB2 SER 29 -10.521 0.150 -1.912 223 HB3 SER 29 HB3 SER 29 -11.449 0.793 -2.976 224 HG SER 29 HG SER 29 -9.962 2.290 -2.096 225 H GLU 30 H GLU 30 -13.466 -1.524 0.165 226 HA GLU 30 HA GLU 30 -13.788 -3.413 -2.026 227 HB2 GLU 30 HB2 GLU 30 -13.579 -3.708 0.672 228 HB3 GLU 30 HB3 GLU 30 -15.109 -3.532 0.675 229 HG2 GLU 30 HG2 GLU 30 -15.025 -5.521 -1.167 230 HG3 GLU 30 HG3 GLU 30 -13.585 -5.746 -0.721 231 HA PRO 31 HA PRO 31 -17.741 -1.928 -3.530 232 HB2 PRO 31 HB2 PRO 31 -18.678 -4.684 -4.060 233 HB3 PRO 31 HB3 PRO 31 -18.745 -3.509 -4.934 234 HG2 PRO 31 HG2 PRO 31 -16.544 -4.861 -5.523 235 HG3 PRO 31 HG3 PRO 31 -16.439 -3.352 -5.522 236 HD2 PRO 31 HD2 PRO 31 -15.292 -4.896 -3.246 237 HD3 PRO 31 HD3 PRO 31 -14.758 -3.682 -3.948 238 HA PRO 32 HA PRO 32 -20.821 -3.816 -0.262 239 HB2 PRO 32 HB2 PRO 32 -19.203 -4.890 1.943 240 HB3 PRO 32 HB3 PRO 32 -20.465 -5.399 1.416 241 HG2 PRO 32 HG2 PRO 32 -18.494 -6.820 0.357 242 HG3 PRO 32 HG3 PRO 32 -19.618 -6.451 -0.570 243 HD2 PRO 32 HD2 PRO 32 -17.073 -4.842 -0.657 244 HD3 PRO 32 HD3 PRO 32 -17.807 -5.466 -1.775 245 H GLN 33 H GLN 33 -17.872 -2.034 0.360 246 HA GLN 33 HA GLN 33 -19.276 -0.201 2.266 247 HB2 GLN 33 HB2 GLN 33 -16.331 -0.479 1.779 248 HB3 GLN 33 HB3 GLN 33 -16.932 0.706 2.612 249 HG2 GLN 33 HG2 GLN 33 -16.552 -0.747 4.382 250 HG3 GLN 33 HG3 GLN 33 -18.061 -0.877 4.229 251 HE21 GLN 33 HE21 GLN 33 -15.185 -2.482 2.755 252 HE22 GLN 33 HE22 GLN 33 -15.820 -4.121 2.863 253 H ALA 34 H ALA 34 -18.998 -0.504 -0.955 254 HA ALA 34 HA ALA 34 -18.968 0.850 -2.765 255 HB1 ALA 34 HB1 ALA 34 -20.796 2.389 -0.891 256 HB2 ALA 34 HB2 ALA 34 -20.848 2.401 -2.669 257 HB3 ALA 34 HB3 ALA 34 -21.214 0.909 -1.786 258 H LEU 35 H LEU 35 -16.567 1.372 -1.712 259 HA LEU 35 HA LEU 35 -14.796 2.778 -1.715 260 HB2 LEU 35 HB2 LEU 35 -16.300 4.623 -3.520 261 HB3 LEU 35 HB3 LEU 35 -14.764 4.628 -3.349 262 HG LEU 35 HG LEU 35 -16.190 2.161 -4.448 263 HD11 LEU 35 HD11 LEU 35 -15.397 2.930 -6.641 264 HD12 LEU 35 HD12 LEU 35 -14.750 4.415 -5.906 265 HD13 LEU 35 HD13 LEU 35 -16.506 4.101 -5.908 266 HD21 LEU 35 HD21 LEU 35 -13.981 1.659 -3.512 267 HD22 LEU 35 HD22 LEU 35 -13.251 2.988 -4.449 268 HD23 LEU 35 HD23 LEU 35 -13.938 1.568 -5.273 269 HN1 NH2 36 H1 NHE 36 -17.070 3.367 0.356 270 HN2 NH2 36 H2 NHE 36 -16.541 4.911 0.998 Start of MODEL 2 1 H1 ARG 1 H1 ARG 1 7.010 12.193 -3.714 2 H2 ARG 1 H2 ARG 1 6.843 10.671 -3.136 3 H3 ARG 1 H3 ARG 1 7.527 10.926 -4.603 4 HA ARG 1 HA ARG 1 8.669 11.819 -2.035 5 HB2 ARG 1 HB2 ARG 1 9.473 9.462 -3.728 6 HB3 ARG 1 HB3 ARG 1 10.553 10.116 -2.841 7 HG2 ARG 1 HG2 ARG 1 8.122 8.845 -1.618 8 HG3 ARG 1 HG3 ARG 1 9.537 8.229 -1.671 9 HD2 ARG 1 HD2 ARG 1 10.338 10.438 -0.357 10 HD3 ARG 1 HD3 ARG 1 8.858 10.778 -0.158 11 HE ARG 1 HE ARG 1 8.985 8.093 0.705 12 HH11 ARG 1 HH11 ARG 1 10.220 11.214 1.755 13 HH12 ARG 1 HH12 ARG 1 10.550 10.628 3.361 14 HH21 ARG 1 HH21 ARG 1 9.629 7.389 2.656 15 HH22 ARG 1 HH22 ARG 1 10.164 8.521 3.889 16 H ASP 2 H ASP 2 10.901 12.543 -2.192 17 HA ASP 2 HA ASP 2 11.680 13.724 -4.816 18 HB2 ASP 2 HB2 ASP 2 10.538 15.440 -3.302 19 HB3 ASP 2 HB3 ASP 2 11.508 15.205 -2.173 20 HA PRO 3 HA PRO 3 15.762 13.060 -2.480 21 HB2 PRO 3 HB2 PRO 3 16.012 12.077 -0.015 22 HB3 PRO 3 HB3 PRO 3 15.686 13.542 -0.239 23 HG2 PRO 3 HG2 PRO 3 13.528 11.658 0.582 24 HG3 PRO 3 HG3 PRO 3 13.789 13.000 1.094 25 HD2 PRO 3 HD2 PRO 3 12.006 13.088 -0.927 26 HD3 PRO 3 HD3 PRO 3 12.979 14.255 -0.724 27 H LEU 4 H LEU 4 13.324 10.556 -1.957 28 HA LEU 4 HA LEU 4 13.218 8.328 -2.349 29 HB2 LEU 4 HB2 LEU 4 13.382 9.827 -4.699 30 HB3 LEU 4 HB3 LEU 4 14.416 8.802 -5.059 31 HG LEU 4 HG LEU 4 11.631 7.979 -4.103 32 HD11 LEU 4 HD11 LEU 4 11.154 7.526 -6.472 33 HD12 LEU 4 HD12 LEU 4 12.769 8.122 -6.923 34 HD13 LEU 4 HD13 LEU 4 11.567 9.230 -6.223 35 HD21 LEU 4 HD21 LEU 4 12.106 5.779 -5.110 36 HD22 LEU 4 HD22 LEU 4 13.238 6.134 -3.798 37 HD23 LEU 4 HD23 LEU 4 13.765 6.302 -5.484 38 H LEU 5 H LEU 5 15.502 8.644 -0.814 39 HA LEU 5 HA LEU 5 17.815 7.361 -1.955 40 HB2 LEU 5 HB2 LEU 5 17.226 7.726 0.969 41 HB3 LEU 5 HB3 LEU 5 18.609 7.305 0.419 42 HG LEU 5 HG LEU 5 17.343 9.974 -0.331 43 HD11 LEU 5 HD11 LEU 5 17.945 9.823 2.051 44 HD12 LEU 5 HD12 LEU 5 19.009 10.941 1.185 45 HD13 LEU 5 HD13 LEU 5 19.591 9.316 1.611 46 HD21 LEU 5 HD21 LEU 5 18.915 9.274 -2.075 47 HD22 LEU 5 HD22 LEU 5 20.144 8.882 -0.848 48 HD23 LEU 5 HD23 LEU 5 19.632 10.565 -1.112 49 H ASP 6 H ASP 6 15.095 6.035 -0.117 50 HA ASP 6 HA ASP 6 15.957 3.294 -0.878 51 HB2 ASP 6 HB2 ASP 6 16.689 4.050 1.584 52 HB3 ASP 6 HB3 ASP 6 15.231 3.999 1.988 53 H ALA 7 H ALA 7 13.486 5.444 -0.968 54 HA ALA 7 HA ALA 7 11.211 4.132 0.033 55 HB1 ALA 7 HB1 ALA 7 9.957 5.636 -1.428 56 HB2 ALA 7 HB2 ALA 7 11.287 6.492 -0.628 57 HB3 ALA 7 HB3 ALA 7 11.424 6.020 -2.340 58 H NLE 8 H NLE 8 12.856 3.624 -3.077 59 HA NLE 8 HA NLE 8 10.888 2.171 -4.417 60 HB2 NLE 8 HB2 NLE 8 12.496 1.483 -5.932 61 HB3 NLE 8 HB3 NLE 8 13.021 3.059 -5.393 62 HG2 NLE 8 HG2 NLE 8 14.166 0.356 -4.536 63 HG3 NLE 8 HG3 NLE 8 14.871 1.450 -5.706 64 HD2 NLE 8 HD2 NLE 8 14.594 2.009 -2.725 65 HD3 NLE 8 HD3 NLE 8 16.054 1.508 -3.568 66 HE1 NLE 8 HE1 NLE 8 15.967 3.602 -4.945 67 HE2 NLE 8 HE2 NLE 8 14.580 4.144 -3.970 68 HE3 NLE 8 HE3 NLE 8 16.160 3.900 -3.209 69 H ARG 9 H ARG 9 12.708 1.073 -1.685 70 HA ARG 9 HA ARG 9 11.741 -1.753 -2.052 71 HB2 ARG 9 HB2 ARG 9 13.541 -0.846 0.163 72 HB3 ARG 9 HB3 ARG 9 13.154 -2.310 -0.155 73 HG2 ARG 9 HG2 ARG 9 14.351 -1.888 -2.515 74 HG3 ARG 9 HG3 ARG 9 14.866 -0.565 -1.974 75 HD2 ARG 9 HD2 ARG 9 15.691 -3.191 -0.733 76 HD3 ARG 9 HD3 ARG 9 16.588 -2.236 -1.541 77 HE ARG 9 HE ARG 9 16.139 -0.445 0.298 78 HH11 ARG 9 HH11 ARG 9 16.420 -3.871 1.024 79 HH12 ARG 9 HH12 ARG 9 16.697 -3.557 2.717 80 HH21 ARG 9 HH21 ARG 9 16.309 -0.138 2.413 81 HH22 ARG 9 HH22 ARG 9 16.702 -1.474 3.481 82 H ARG 10 H ARG 10 11.960 0.620 0.598 83 HA ARG 10 HA ARG 10 10.081 -0.803 2.221 84 HB2 ARG 10 HB2 ARG 10 10.808 0.740 3.873 85 HB3 ARG 10 HB3 ARG 10 12.047 0.482 3.008 86 HG2 ARG 10 HG2 ARG 10 11.118 2.732 1.692 87 HG3 ARG 10 HG3 ARG 10 10.352 2.992 2.971 88 HD2 ARG 10 HD2 ARG 10 13.367 2.821 2.936 89 HD3 ARG 10 HD3 ARG 10 12.531 4.109 3.099 90 HE ARG 10 HE ARG 10 11.620 3.228 5.270 91 HH11 ARG 10 HH11 ARG 10 14.694 1.834 4.131 92 HH12 ARG 10 HH12 ARG 10 15.155 1.449 5.766 93 HH21 ARG 10 HH21 ARG 10 12.324 2.646 7.267 94 HH22 ARG 10 HH22 ARG 10 13.868 1.872 7.465 95 H GLU 11 H GLU 11 9.465 1.687 -0.069 96 HA GLU 11 HA GLU 11 6.610 1.897 0.860 97 HB2 GLU 11 HB2 GLU 11 8.150 3.975 -0.673 98 HB3 GLU 11 HB3 GLU 11 6.639 4.056 -0.478 99 HG2 GLU 11 HG2 GLU 11 6.807 4.280 1.963 100 HG3 GLU 11 HG3 GLU 11 8.184 3.645 2.082 101 H GLY 12 H GLY 12 8.772 1.293 -1.915 102 HA2 GLY 12 HA2 GLY 12 6.860 0.802 -3.939 103 HA3 GLY 12 HA3 GLY 12 8.406 -0.039 -3.754 104 H ALA 13 H ALA 13 7.993 -1.438 -1.325 105 HA ALA 13 HA ALA 13 6.261 -3.611 -2.039 106 HB1 ALA 13 HB1 ALA 13 8.252 -3.867 -0.622 107 HB2 ALA 13 HB2 ALA 13 7.504 -2.857 0.638 108 HB3 ALA 13 HB3 ALA 13 6.796 -4.433 0.219 109 H NLE 14 H NLE 14 5.814 -0.885 0.230 110 HA NLE 14 HA NLE 14 3.306 -1.681 1.286 111 HB2 NLE 14 HB2 NLE 14 4.902 0.051 2.173 112 HB3 NLE 14 HB3 NLE 14 4.301 1.170 0.938 113 HG2 NLE 14 HG2 NLE 14 2.001 0.930 1.867 114 HG3 NLE 14 HG3 NLE 14 2.616 -0.172 3.104 115 HD2 NLE 14 HD2 NLE 14 3.433 2.752 2.758 116 HD3 NLE 14 HD3 NLE 14 2.260 2.142 3.928 117 HE1 NLE 14 HE1 NLE 14 4.365 2.510 5.064 118 HE2 NLE 14 HE2 NLE 14 4.071 0.761 4.987 119 HE3 NLE 14 HE3 NLE 14 5.247 1.526 3.888 120 H ASP 15 H ASP 15 4.104 0.203 -1.626 121 HA ASP 15 HA ASP 15 1.485 0.944 -2.415 122 HB2 ASP 15 HB2 ASP 15 3.815 1.681 -3.365 123 HB3 ASP 15 HB3 ASP 15 3.915 0.391 -4.153 124 H PHE 16 H PHE 16 2.915 -2.251 -2.539 125 HA PHE 16 HA PHE 16 0.545 -3.151 -4.126 126 HB2 PHE 16 HB2 PHE 16 1.783 -4.918 -5.024 127 HB3 PHE 16 HB3 PHE 16 2.506 -3.579 -5.384 128 HD1 PHE 16 HD1 PHE 16 2.714 -6.235 -2.679 129 HD2 PHE 16 HD2 PHE 16 4.834 -3.555 -5.316 130 HE1 PHE 16 HE1 PHE 16 4.866 -7.255 -1.993 131 HE2 PHE 16 HE2 PHE 16 6.978 -4.616 -4.665 132 HZ PHE 16 HZ PHE 16 7.000 -6.463 -2.995 133 H TRP 17 H TRP 17 1.990 -3.366 -0.977 134 HA TRP 17 HA TRP 17 0.231 -5.509 -0.048 135 HB2 TRP 17 HB2 TRP 17 2.123 -4.566 1.343 136 HB3 TRP 17 HB3 TRP 17 1.529 -3.142 1.347 137 HD1 TRP 17 HD1 TRP 17 -0.025 -2.436 3.240 138 HE1 TRP 17 HE1 TRP 17 -1.250 -3.598 5.175 139 HE3 TRP 17 HE3 TRP 17 0.830 -7.318 1.929 140 HZ2 TRP 17 HZ2 TRP 17 -1.779 -6.295 6.052 141 HZ3 TRP 17 HZ3 TRP 17 -0.033 -9.166 3.351 142 HH2 TRP 17 HH2 TRP 17 -1.308 -8.665 5.422 143 H SER 18 H SER 18 -0.052 -1.916 -0.009 144 HA SER 18 HA SER 18 -2.721 -1.830 0.966 145 HB2 SER 18 HB2 SER 18 -2.535 0.583 0.377 146 HB3 SER 18 HB3 SER 18 -1.270 0.092 1.112 147 HG SER 18 HG SER 18 -0.092 0.060 -0.732 148 H ALA 19 H ALA 19 -1.655 -2.548 -2.263 149 HA ALA 19 HA ALA 19 -4.054 -1.946 -3.698 150 HB1 ALA 19 HB1 ALA 19 -1.845 -2.371 -4.737 151 HB2 ALA 19 HB2 ALA 19 -1.934 -4.073 -4.220 152 HB3 ALA 19 HB3 ALA 19 -3.099 -3.435 -5.396 153 H GLY 20 H GLY 20 -3.488 -4.417 -1.336 154 HA2 GLY 20 HA2 GLY 20 -6.156 -5.636 -1.940 155 HA3 GLY 20 HA3 GLY 20 -4.736 -6.673 -1.808 156 H ABA 21 H ABU 21 -3.779 -4.764 0.427 157 HA ABA 21 HA ABU 21 -3.549 -4.937 2.646 158 HB3 ABA 21 HB3 ABU 21 -6.425 -3.987 2.564 159 HB2 ABA 21 HB2 ABU 21 -5.025 -3.005 2.119 160 HG1 ABA 21 HG1 ABU 21 -5.676 -2.520 4.414 161 HG3 ABA 21 HG3 ABU 21 -4.083 -3.304 4.402 162 HG2 ABA 21 HG2 ABU 21 -5.534 -4.228 4.863 163 H TYR 22 H TYR 22 -3.140 -6.960 3.314 164 HA TYR 22 HA TYR 22 -3.326 -9.033 4.131 165 HB2 TYR 22 HB2 TYR 22 -6.155 -8.655 4.966 166 HB3 TYR 22 HB3 TYR 22 -5.201 -9.801 5.447 167 HD1 TYR 22 HD1 TYR 22 -3.246 -9.426 6.951 168 HD2 TYR 22 HD2 TYR 22 -6.086 -6.320 6.000 169 HE1 TYR 22 HE1 TYR 22 -2.508 -8.134 8.954 170 HE2 TYR 22 HE2 TYR 22 -5.346 -5.030 7.998 171 HH TYR 22 HH TYR 22 -3.961 -4.978 9.826 172 H ALA 23 H ALA 23 -4.116 -8.327 1.315 173 HA ALA 23 HA ALA 23 -5.090 -9.162 -0.556 174 HB1 ALA 23 HB1 ALA 23 -4.580 -11.496 -1.040 175 HB2 ALA 23 HB2 ALA 23 -3.219 -10.721 -0.208 176 HB3 ALA 23 HB3 ALA 23 -4.295 -11.822 0.683 177 H ARG 24 H ARG 24 -6.940 -8.352 1.101 178 HA ARG 24 HA ARG 24 -9.175 -10.346 1.266 179 HB2 ARG 24 HB2 ARG 24 -8.067 -9.815 3.377 180 HB3 ARG 24 HB3 ARG 24 -8.084 -8.243 3.157 181 HG2 ARG 24 HG2 ARG 24 -9.761 -8.759 4.806 182 HG3 ARG 24 HG3 ARG 24 -10.364 -7.984 3.639 183 HD2 ARG 24 HD2 ARG 24 -11.177 -10.382 2.726 184 HD3 ARG 24 HD3 ARG 24 -10.628 -10.993 4.022 185 HE ARG 24 HE ARG 24 -12.442 -10.208 5.231 186 HH11 ARG 24 HH11 ARG 24 -12.214 -8.176 2.368 187 HH12 ARG 24 HH12 ARG 24 -13.746 -7.393 2.697 188 HH21 ARG 24 HH21 ARG 24 -14.364 -9.094 5.605 189 HH22 ARG 24 HH22 ARG 24 -14.869 -7.868 4.470 190 H GLY 25 H GLY 25 -8.466 -8.260 -0.841 191 HA2 GLY 25 HA2 GLY 25 -9.788 -7.124 -2.370 192 HA3 GLY 25 HA3 GLY 25 -11.197 -7.370 -1.336 193 H VAL 26 H VAL 26 -8.326 -5.855 -0.021 194 HA VAL 26 HA VAL 26 -8.110 -3.952 1.160 195 HB VAL 26 HB VAL 26 -7.085 -3.405 -0.839 196 HG11 VAL 26 HG11 VAL 26 -9.669 -2.226 -1.908 197 HG12 VAL 26 HG12 VAL 26 -8.057 -2.032 -2.624 198 HG13 VAL 26 HG13 VAL 26 -8.789 -3.634 -2.539 199 HG21 VAL 26 HG21 VAL 26 -8.576 -0.939 0.094 200 HG22 VAL 26 HG22 VAL 26 -7.200 -1.692 0.940 201 HG23 VAL 26 HG23 VAL 26 -6.992 -1.016 -0.682 202 HA PRO 27 HA PRO 27 -12.483 -4.070 2.417 203 HB2 PRO 27 HB2 PRO 27 -11.457 -3.082 5.028 204 HB3 PRO 27 HB3 PRO 27 -12.523 -4.050 4.783 205 HG2 PRO 27 HG2 PRO 27 -10.261 -5.397 5.028 206 HG3 PRO 27 HG3 PRO 27 -11.205 -5.851 3.935 207 HD2 PRO 27 HD2 PRO 27 -8.753 -4.328 3.212 208 HD3 PRO 27 HD3 PRO 27 -9.414 -5.468 2.500 209 H LEU 28 H LEU 28 -10.592 -1.082 3.162 210 HA LEU 28 HA LEU 28 -12.878 0.597 3.376 211 HB2 LEU 28 HB2 LEU 28 -11.322 2.369 3.485 212 HB3 LEU 28 HB3 LEU 28 -10.882 1.207 4.465 213 HG LEU 28 HG LEU 28 -9.007 2.345 3.430 214 HD11 LEU 28 HD11 LEU 28 -8.963 -0.540 2.497 215 HD12 LEU 28 HD12 LEU 28 -8.756 -0.018 4.192 216 HD13 LEU 28 HD13 LEU 28 -7.605 0.495 2.950 217 HD21 LEU 28 HD21 LEU 28 -9.980 2.758 1.179 218 HD22 LEU 28 HD22 LEU 28 -9.712 1.045 0.786 219 HD23 LEU 28 HD23 LEU 28 -8.337 2.095 1.150 220 H SER 29 H SER 29 -11.702 -0.763 0.544 221 HA SER 29 HA SER 29 -13.393 1.046 -1.118 222 HB2 SER 29 HB2 SER 29 -10.712 0.004 -2.060 223 HB3 SER 29 HB3 SER 29 -11.758 0.664 -2.988 224 HG SER 29 HG SER 29 -10.235 2.170 -2.156 225 H GLU 30 H GLU 30 -13.321 -1.950 0.124 226 HA GLU 30 HA GLU 30 -13.851 -3.675 -2.121 227 HB2 GLU 30 HB2 GLU 30 -13.425 -4.149 0.505 228 HB3 GLU 30 HB3 GLU 30 -14.944 -3.950 0.671 229 HG2 GLU 30 HG2 GLU 30 -15.081 -5.835 -1.275 230 HG3 GLU 30 HG3 GLU 30 -13.610 -6.108 -0.983 231 HA PRO 31 HA PRO 31 -17.871 -2.132 -3.284 232 HB2 PRO 31 HB2 PRO 31 -18.873 -4.843 -3.915 233 HB3 PRO 31 HB3 PRO 31 -18.976 -3.618 -4.714 234 HG2 PRO 31 HG2 PRO 31 -16.826 -4.960 -5.498 235 HG3 PRO 31 HG3 PRO 31 -16.707 -3.452 -5.424 236 HD2 PRO 31 HD2 PRO 31 -15.445 -5.127 -3.307 237 HD3 PRO 31 HD3 PRO 31 -14.942 -3.880 -3.972 238 HA PRO 32 HA PRO 32 -20.806 -4.170 0.017 239 HB2 PRO 32 HB2 PRO 32 -19.112 -5.405 2.074 240 HB3 PRO 32 HB3 PRO 32 -20.404 -5.861 1.572 241 HG2 PRO 32 HG2 PRO 32 -18.500 -7.238 0.341 242 HG3 PRO 32 HG3 PRO 32 -19.663 -6.798 -0.509 243 HD2 PRO 32 HD2 PRO 32 -17.098 -5.220 -0.622 244 HD3 PRO 32 HD3 PRO 32 -17.893 -5.765 -1.735 245 H GLN 33 H GLN 33 -17.789 -2.483 0.632 246 HA GLN 33 HA GLN 33 -19.068 -0.776 2.733 247 HB2 GLN 33 HB2 GLN 33 -16.165 -1.001 2.017 248 HB3 GLN 33 HB3 GLN 33 -16.707 0.122 2.969 249 HG2 GLN 33 HG2 GLN 33 -16.224 -1.434 4.619 250 HG3 GLN 33 HG3 GLN 33 -17.728 -1.594 4.540 251 HE21 GLN 33 HE21 GLN 33 -14.884 -3.024 2.849 252 HE22 GLN 33 HE22 GLN 33 -15.489 -4.678 2.847 253 H ALA 34 H ALA 34 -18.818 -0.844 -0.567 254 HA ALA 34 HA ALA 34 -18.822 0.650 -2.261 255 HB1 ALA 34 HB1 ALA 34 -20.694 2.015 -0.295 256 HB2 ALA 34 HB2 ALA 34 -20.736 2.150 -2.067 257 HB3 ALA 34 HB3 ALA 34 -21.080 0.594 -1.294 258 H LEU 35 H LEU 35 -16.471 1.157 -0.887 259 HA LEU 35 HA LEU 35 -14.757 2.606 -0.642 260 HB2 LEU 35 HB2 LEU 35 -16.102 4.285 -2.710 261 HB3 LEU 35 HB3 LEU 35 -14.624 4.547 -2.195 262 HG LEU 35 HG LEU 35 -13.836 2.330 -2.999 263 HD11 LEU 35 HD11 LEU 35 -15.204 1.240 -4.817 264 HD12 LEU 35 HD12 LEU 35 -16.606 2.189 -4.274 265 HD13 LEU 35 HD13 LEU 35 -15.846 0.980 -3.206 266 HD21 LEU 35 HD21 LEU 35 -13.785 3.028 -5.356 267 HD22 LEU 35 HD22 LEU 35 -13.550 4.413 -4.283 268 HD23 LEU 35 HD23 LEU 35 -15.127 4.159 -5.064 269 HN1 NH2 36 H1 NHE 36 -17.237 3.061 1.141 270 HN2 NH2 36 H2 NHE 36 -16.892 4.632 1.840 Start of MODEL 3 1 H1 ARG 1 H1 ARG 1 6.982 11.849 -4.890 2 H2 ARG 1 H2 ARG 1 6.758 10.380 -4.205 3 H3 ARG 1 H3 ARG 1 7.611 10.519 -5.597 4 HA ARG 1 HA ARG 1 8.434 11.650 -3.001 5 HB2 ARG 1 HB2 ARG 1 9.367 9.135 -4.354 6 HB3 ARG 1 HB3 ARG 1 10.424 9.899 -3.529 7 HG2 ARG 1 HG2 ARG 1 7.944 8.824 -2.219 8 HG3 ARG 1 HG3 ARG 1 9.343 8.167 -2.167 9 HD2 ARG 1 HD2 ARG 1 10.174 10.515 -1.118 10 HD3 ARG 1 HD3 ARG 1 8.702 10.891 -0.977 11 HE ARG 1 HE ARG 1 8.777 8.318 0.174 12 HH11 ARG 1 HH11 ARG 1 10.056 11.510 0.912 13 HH12 ARG 1 HH12 ARG 1 10.372 11.082 2.570 14 HH21 ARG 1 HH21 ARG 1 9.385 7.808 2.186 15 HH22 ARG 1 HH22 ARG 1 9.934 9.046 3.308 16 H ASP 2 H ASP 2 10.432 12.689 -2.930 17 HA ASP 2 HA ASP 2 11.547 13.598 -5.551 18 HB2 ASP 2 HB2 ASP 2 10.455 15.351 -4.051 19 HB3 ASP 2 HB3 ASP 2 11.372 15.048 -2.896 20 HA PRO 3 HA PRO 3 15.499 12.719 -3.077 21 HB2 PRO 3 HB2 PRO 3 15.621 11.663 -0.634 22 HB3 PRO 3 HB3 PRO 3 15.343 13.142 -0.830 23 HG2 PRO 3 HG2 PRO 3 13.113 11.296 -0.134 24 HG3 PRO 3 HG3 PRO 3 13.378 12.626 0.407 25 HD2 PRO 3 HD2 PRO 3 11.676 12.761 -1.688 26 HD3 PRO 3 HD3 PRO 3 12.640 13.918 -1.409 27 H LEU 4 H LEU 4 13.035 10.207 -2.563 28 HA LEU 4 HA LEU 4 12.960 7.973 -2.887 29 HB2 LEU 4 HB2 LEU 4 13.126 9.357 -5.318 30 HB3 LEU 4 HB3 LEU 4 14.145 8.296 -5.616 31 HG LEU 4 HG LEU 4 11.352 7.571 -4.605 32 HD11 LEU 4 HD11 LEU 4 11.291 8.695 -6.795 33 HD12 LEU 4 HD12 LEU 4 10.856 6.985 -6.940 34 HD13 LEU 4 HD13 LEU 4 12.475 7.532 -7.434 35 HD21 LEU 4 HD21 LEU 4 11.794 5.310 -5.479 36 HD22 LEU 4 HD22 LEU 4 12.941 5.728 -4.201 37 HD23 LEU 4 HD23 LEU 4 13.455 5.786 -5.898 38 H LEU 5 H LEU 5 15.331 8.501 -1.434 39 HA LEU 5 HA LEU 5 17.594 7.093 -2.540 40 HB2 LEU 5 HB2 LEU 5 17.156 7.815 0.344 41 HB3 LEU 5 HB3 LEU 5 18.508 7.314 -0.218 42 HG LEU 5 HG LEU 5 17.218 9.888 -1.213 43 HD11 LEU 5 HD11 LEU 5 17.954 10.005 1.134 44 HD12 LEU 5 HD12 LEU 5 18.970 11.005 0.084 45 HD13 LEU 5 HD13 LEU 5 19.570 9.434 0.662 46 HD21 LEU 5 HD21 LEU 5 18.679 8.974 -2.951 47 HD22 LEU 5 HD22 LEU 5 19.975 8.703 -1.759 48 HD23 LEU 5 HD23 LEU 5 19.464 10.353 -2.184 49 H ASP 6 H ASP 6 14.955 6.005 -0.473 50 HA ASP 6 HA ASP 6 15.791 3.190 -0.944 51 HB2 ASP 6 HB2 ASP 6 16.516 4.199 1.432 52 HB3 ASP 6 HB3 ASP 6 15.054 4.206 1.827 53 H ALA 7 H ALA 7 13.341 5.387 -1.184 54 HA ALA 7 HA ALA 7 11.057 4.159 -0.101 55 HB1 ALA 7 HB1 ALA 7 9.822 5.601 -1.663 56 HB2 ALA 7 HB2 ALA 7 11.151 6.479 -0.886 57 HB3 ALA 7 HB3 ALA 7 11.307 5.921 -2.570 58 H NLE 8 H NLE 8 12.685 3.465 -3.189 59 HA NLE 8 HA NLE 8 10.669 2.012 -4.454 60 HB2 NLE 8 HB2 NLE 8 12.242 1.232 -5.958 61 HB3 NLE 8 HB3 NLE 8 12.826 2.806 -5.475 62 HG2 NLE 8 HG2 NLE 8 13.884 0.091 -4.546 63 HG3 NLE 8 HG3 NLE 8 14.617 1.124 -5.751 64 HD2 NLE 8 HD2 NLE 8 14.381 1.790 -2.785 65 HD3 NLE 8 HD3 NLE 8 15.814 1.199 -3.619 66 HE1 NLE 8 HE1 NLE 8 15.799 3.246 -5.069 67 HE2 NLE 8 HE2 NLE 8 14.448 3.877 -4.100 68 HE3 NLE 8 HE3 NLE 8 16.023 3.592 -3.347 69 H ARG 9 H ARG 9 12.570 0.945 -1.738 70 HA ARG 9 HA ARG 9 11.657 -1.894 -2.022 71 HB2 ARG 9 HB2 ARG 9 13.270 -0.801 0.260 72 HB3 ARG 9 HB3 ARG 9 12.932 -2.290 0.030 73 HG2 ARG 9 HG2 ARG 9 14.240 -2.005 -2.298 74 HG3 ARG 9 HG3 ARG 9 14.719 -0.650 -1.810 75 HD2 ARG 9 HD2 ARG 9 15.481 -3.192 -0.363 76 HD3 ARG 9 HD3 ARG 9 16.417 -2.295 -1.193 77 HE ARG 9 HE ARG 9 15.910 -0.383 0.492 78 HH11 ARG 9 HH11 ARG 9 16.075 -3.749 1.483 79 HH12 ARG 9 HH12 ARG 9 16.299 -3.313 3.156 80 HH21 ARG 9 HH21 ARG 9 16.033 0.083 2.573 81 HH22 ARG 9 HH22 ARG 9 16.333 -1.176 3.759 82 H ARG 10 H ARG 10 11.565 0.577 0.545 83 HA ARG 10 HA ARG 10 9.594 -0.883 2.044 84 HB2 ARG 10 HB2 ARG 10 10.024 0.815 3.694 85 HB3 ARG 10 HB3 ARG 10 11.376 0.372 3.071 86 HG2 ARG 10 HG2 ARG 10 10.762 2.627 1.497 87 HG3 ARG 10 HG3 ARG 10 10.004 3.030 2.735 88 HD2 ARG 10 HD2 ARG 10 12.973 2.437 2.837 89 HD3 ARG 10 HD3 ARG 10 12.349 3.847 2.837 90 HE ARG 10 HE ARG 10 11.095 3.063 5.018 91 HH11 ARG 10 HH11 ARG 10 14.418 2.135 4.179 92 HH12 ARG 10 HH12 ARG 10 14.852 2.015 5.863 93 HH21 ARG 10 HH21 ARG 10 11.767 2.835 7.107 94 HH22 ARG 10 HH22 ARG 10 13.407 2.381 7.456 95 H GLU 11 H GLU 11 9.245 2.154 0.194 96 HA GLU 11 HA GLU 11 6.334 2.243 0.753 97 HB2 GLU 11 HB2 GLU 11 7.991 4.100 -0.942 98 HB3 GLU 11 HB3 GLU 11 6.478 4.244 -0.825 99 HG2 GLU 11 HG2 GLU 11 6.544 4.652 1.609 100 HG3 GLU 11 HG3 GLU 11 7.922 4.040 1.827 101 H GLY 12 H GLY 12 8.538 1.289 -1.866 102 HA2 GLY 12 HA2 GLY 12 6.674 0.638 -3.896 103 HA3 GLY 12 HA3 GLY 12 8.187 -0.222 -3.572 104 H ALA 13 H ALA 13 7.743 -1.406 -1.093 105 HA ALA 13 HA ALA 13 5.971 -3.575 -1.602 106 HB1 ALA 13 HB1 ALA 13 7.920 -3.742 -0.129 107 HB2 ALA 13 HB2 ALA 13 7.183 -2.598 1.016 108 HB3 ALA 13 HB3 ALA 13 6.439 -4.187 0.740 109 H NLE 14 H NLE 14 5.498 -0.707 0.549 110 HA NLE 14 HA NLE 14 2.884 -1.392 1.408 111 HB2 NLE 14 HB2 NLE 14 4.231 1.303 1.100 112 HB3 NLE 14 HB3 NLE 14 2.614 1.101 1.784 113 HG2 NLE 14 HG2 NLE 14 3.505 -0.462 3.491 114 HG3 NLE 14 HG3 NLE 14 5.140 -0.203 2.891 115 HD2 NLE 14 HD2 NLE 14 3.317 1.937 4.080 116 HD3 NLE 14 HD3 NLE 14 4.628 1.111 4.925 117 HE1 NLE 14 HE1 NLE 14 6.266 2.078 3.296 118 HE2 NLE 14 HE2 NLE 14 4.932 2.996 2.549 119 HE3 NLE 14 HE3 NLE 14 5.392 3.306 4.230 120 H ASP 15 H ASP 15 3.887 0.279 -1.584 121 HA ASP 15 HA ASP 15 1.299 1.017 -2.488 122 HB2 ASP 15 HB2 ASP 15 3.657 1.686 -3.419 123 HB3 ASP 15 HB3 ASP 15 3.764 0.359 -4.137 124 H PHE 16 H PHE 16 2.687 -2.192 -2.411 125 HA PHE 16 HA PHE 16 0.327 -3.147 -3.985 126 HB2 PHE 16 HB2 PHE 16 1.582 -4.961 -4.805 127 HB3 PHE 16 HB3 PHE 16 2.281 -3.634 -5.230 128 HD1 PHE 16 HD1 PHE 16 2.534 -6.191 -2.444 129 HD2 PHE 16 HD2 PHE 16 4.609 -3.502 -5.105 130 HE1 PHE 16 HE1 PHE 16 4.706 -7.120 -1.695 131 HE2 PHE 16 HE2 PHE 16 6.778 -4.462 -4.379 132 HZ PHE 16 HZ PHE 16 6.832 -6.272 -2.671 133 H TRP 17 H TRP 17 1.831 -3.295 -0.844 134 HA TRP 17 HA TRP 17 0.112 -5.412 0.176 135 HB2 TRP 17 HB2 TRP 17 2.048 -4.385 1.468 136 HB3 TRP 17 HB3 TRP 17 1.385 -2.989 1.490 137 HD1 TRP 17 HD1 TRP 17 -0.153 -2.354 3.427 138 HE1 TRP 17 HE1 TRP 17 -1.193 -3.564 5.439 139 HE3 TRP 17 HE3 TRP 17 0.976 -7.186 2.138 140 HZ2 TRP 17 HZ2 TRP 17 -1.466 -6.273 6.388 141 HZ3 TRP 17 HZ3 TRP 17 0.327 -9.063 3.633 142 HH2 TRP 17 HH2 TRP 17 -0.862 -8.616 5.768 143 H SER 18 H SER 18 -0.238 -1.815 0.096 144 HA SER 18 HA SER 18 -2.875 -1.760 1.169 145 HB2 SER 18 HB2 SER 18 -2.783 0.628 0.497 146 HB3 SER 18 HB3 SER 18 -1.459 0.209 1.167 147 HG SER 18 HG SER 18 -0.399 0.155 -0.740 148 H ALA 19 H ALA 19 -1.887 -2.561 -2.074 149 HA ALA 19 HA ALA 19 -4.366 -2.093 -3.427 150 HB1 ALA 19 HB1 ALA 19 -2.175 -2.454 -4.540 151 HB2 ALA 19 HB2 ALA 19 -2.190 -4.151 -3.996 152 HB3 ALA 19 HB3 ALA 19 -3.419 -3.569 -5.132 153 H GLY 20 H GLY 20 -3.612 -4.453 -1.012 154 HA2 GLY 20 HA2 GLY 20 -6.220 -5.838 -1.512 155 HA3 GLY 20 HA3 GLY 20 -4.741 -6.783 -1.365 156 H ABA 21 H ABU 21 -3.863 -4.749 0.785 157 HA ABA 21 HA ABU 21 -3.559 -4.843 2.989 158 HB3 ABA 21 HB3 ABU 21 -6.496 -4.117 3.040 159 HB2 ABA 21 HB2 ABU 21 -5.218 -3.042 2.459 160 HG1 ABA 21 HG1 ABU 21 -5.751 -2.519 4.779 161 HG3 ABA 21 HG3 ABU 21 -4.100 -3.163 4.676 162 HG2 ABA 21 HG2 ABU 21 -5.426 -4.190 5.275 163 H TYR 22 H TYR 22 -2.990 -6.732 3.873 164 HA TYR 22 HA TYR 22 -3.009 -8.829 4.675 165 HB2 TYR 22 HB2 TYR 22 -5.821 -8.576 5.616 166 HB3 TYR 22 HB3 TYR 22 -4.791 -9.646 6.097 167 HD1 TYR 22 HD1 TYR 22 -2.808 -9.113 7.518 168 HD2 TYR 22 HD2 TYR 22 -5.818 -6.185 6.534 169 HE1 TYR 22 HE1 TYR 22 -2.057 -7.697 9.430 170 HE2 TYR 22 HE2 TYR 22 -5.063 -4.766 8.440 171 HH TYR 22 HH TYR 22 -3.614 -4.562 10.206 172 H ALA 23 H ALA 23 -3.874 -8.266 1.893 173 HA ALA 23 HA ALA 23 -4.870 -9.134 0.062 174 HB1 ALA 23 HB1 ALA 23 -4.354 -11.474 -0.387 175 HB2 ALA 23 HB2 ALA 23 -2.994 -10.685 0.427 176 HB3 ALA 23 HB3 ALA 23 -4.064 -11.772 1.340 177 H ARG 24 H ARG 24 -6.697 -8.486 2.108 178 HA ARG 24 HA ARG 24 -8.835 -10.545 2.155 179 HB2 ARG 24 HB2 ARG 24 -8.015 -9.357 4.202 180 HB3 ARG 24 HB3 ARG 24 -8.323 -7.926 3.623 181 HG2 ARG 24 HG2 ARG 24 -10.130 -8.422 5.128 182 HG3 ARG 24 HG3 ARG 24 -10.688 -8.146 3.733 183 HD2 ARG 24 HD2 ARG 24 -10.779 -10.821 3.441 184 HD3 ARG 24 HD3 ARG 24 -10.313 -10.941 4.896 185 HE ARG 24 HE ARG 24 -12.416 -10.358 5.691 186 HH11 ARG 24 HH11 ARG 24 -12.240 -9.214 2.365 187 HH12 ARG 24 HH12 ARG 24 -13.902 -8.670 2.370 188 HH21 ARG 24 HH21 ARG 24 -14.543 -9.632 5.603 189 HH22 ARG 24 HH22 ARG 24 -15.135 -8.910 4.127 190 H GLY 25 H GLY 25 -8.045 -7.929 0.193 191 HA2 GLY 25 HA2 GLY 25 -9.406 -7.374 -1.732 192 HA3 GLY 25 HA3 GLY 25 -10.873 -7.649 -0.794 193 H VAL 26 H VAL 26 -8.148 -5.859 0.512 194 HA VAL 26 HA VAL 26 -8.042 -3.865 1.534 195 HB VAL 26 HB VAL 26 -7.091 -3.408 -0.534 196 HG11 VAL 26 HG11 VAL 26 -9.770 -2.459 -1.597 197 HG12 VAL 26 HG12 VAL 26 -8.192 -2.190 -2.364 198 HG13 VAL 26 HG13 VAL 26 -8.805 -3.832 -2.174 199 HG21 VAL 26 HG21 VAL 26 -8.695 -0.985 0.321 200 HG22 VAL 26 HG22 VAL 26 -7.226 -1.600 1.124 201 HG23 VAL 26 HG23 VAL 26 -7.153 -1.001 -0.538 202 HA PRO 27 HA PRO 27 -12.438 -4.050 2.851 203 HB2 PRO 27 HB2 PRO 27 -11.350 -3.051 5.427 204 HB3 PRO 27 HB3 PRO 27 -12.423 -4.019 5.210 205 HG2 PRO 27 HG2 PRO 27 -10.163 -5.373 5.442 206 HG3 PRO 27 HG3 PRO 27 -11.112 -5.836 4.363 207 HD2 PRO 27 HD2 PRO 27 -8.679 -4.291 3.604 208 HD3 PRO 27 HD3 PRO 27 -9.314 -5.461 2.924 209 H LEU 28 H LEU 28 -10.439 -1.107 3.453 210 HA LEU 28 HA LEU 28 -12.689 0.647 3.662 211 HB2 LEU 28 HB2 LEU 28 -11.086 2.370 3.758 212 HB3 LEU 28 HB3 LEU 28 -10.679 1.204 4.757 213 HG LEU 28 HG LEU 28 -8.761 2.260 3.748 214 HD11 LEU 28 HD11 LEU 28 -8.830 -0.606 2.753 215 HD12 LEU 28 HD12 LEU 28 -8.586 -0.123 4.455 216 HD13 LEU 28 HD13 LEU 28 -7.427 0.364 3.211 217 HD21 LEU 28 HD21 LEU 28 -9.703 2.773 1.509 218 HD22 LEU 28 HD22 LEU 28 -9.521 1.061 1.071 219 HD23 LEU 28 HD23 LEU 28 -8.094 2.031 1.459 220 H SER 29 H SER 29 -11.526 -0.804 0.871 221 HA SER 29 HA SER 29 -13.132 1.023 -0.853 222 HB2 SER 29 HB2 SER 29 -10.463 -0.122 -1.719 223 HB3 SER 29 HB3 SER 29 -11.474 0.528 -2.689 224 HG SER 29 HG SER 29 -9.935 2.028 -1.878 225 H GLU 30 H GLU 30 -12.897 -2.073 0.337 226 HA GLU 30 HA GLU 30 -13.524 -3.839 -1.717 227 HB2 GLU 30 HB2 GLU 30 -13.292 -4.127 0.920 228 HB3 GLU 30 HB3 GLU 30 -14.785 -3.761 1.022 229 HG2 GLU 30 HG2 GLU 30 -15.102 -5.829 -0.690 230 HG3 GLU 30 HG3 GLU 30 -13.641 -6.185 -0.406 231 HA PRO 31 HA PRO 31 -17.296 -2.346 -3.494 232 HB2 PRO 31 HB2 PRO 31 -18.373 -5.081 -3.862 233 HB3 PRO 31 HB3 PRO 31 -18.329 -3.978 -4.822 234 HG2 PRO 31 HG2 PRO 31 -16.177 -5.485 -5.173 235 HG3 PRO 31 HG3 PRO 31 -15.994 -3.988 -5.294 236 HD2 PRO 31 HD2 PRO 31 -15.025 -5.383 -2.851 237 HD3 PRO 31 HD3 PRO 31 -14.420 -4.238 -3.614 238 HA PRO 32 HA PRO 32 -20.727 -3.746 -0.355 239 HB2 PRO 32 HB2 PRO 32 -19.425 -4.796 2.047 240 HB3 PRO 32 HB3 PRO 32 -20.650 -5.266 1.403 241 HG2 PRO 32 HG2 PRO 32 -18.643 -6.851 0.682 242 HG3 PRO 32 HG3 PRO 32 -19.654 -6.515 -0.378 243 HD2 PRO 32 HD2 PRO 32 -17.035 -5.031 -0.333 244 HD3 PRO 32 HD3 PRO 32 -17.693 -5.705 -1.468 245 H GLN 33 H GLN 33 -17.657 -2.229 0.518 246 HA GLN 33 HA GLN 33 -19.028 -0.203 2.238 247 HB2 GLN 33 HB2 GLN 33 -16.090 -0.641 1.807 248 HB3 GLN 33 HB3 GLN 33 -16.643 0.625 2.549 249 HG2 GLN 33 HG2 GLN 33 -16.359 -0.738 4.417 250 HG3 GLN 33 HG3 GLN 33 -17.864 -0.779 4.254 251 HE21 GLN 33 HE21 GLN 33 -15.017 -2.670 3.136 252 HE22 GLN 33 HE22 GLN 33 -15.807 -4.241 3.176 253 H ALA 34 H ALA 34 -18.189 -0.654 -1.022 254 HA ALA 34 HA ALA 34 -17.888 0.685 -2.822 255 HB1 ALA 34 HB1 ALA 34 -20.155 2.150 -1.426 256 HB2 ALA 34 HB2 ALA 34 -19.822 2.130 -3.173 257 HB3 ALA 34 HB3 ALA 34 -20.299 0.635 -2.349 258 H LEU 35 H LEU 35 -15.870 1.377 -1.095 259 HA LEU 35 HA LEU 35 -14.268 2.887 -0.618 260 HB2 LEU 35 HB2 LEU 35 -15.169 4.505 -2.961 261 HB3 LEU 35 HB3 LEU 35 -13.786 4.669 -2.205 262 HG LEU 35 HG LEU 35 -13.234 2.214 -2.801 263 HD11 LEU 35 HD11 LEU 35 -14.212 1.497 -4.997 264 HD12 LEU 35 HD12 LEU 35 -15.445 2.766 -4.830 265 HD13 LEU 35 HD13 LEU 35 -15.369 1.409 -3.682 266 HD21 LEU 35 HD21 LEU 35 -12.356 2.935 -4.987 267 HD22 LEU 35 HD22 LEU 35 -12.123 4.181 -3.757 268 HD23 LEU 35 HD23 LEU 35 -13.428 4.357 -4.954 269 HN1 NH2 36 H1 NHE 36 -17.102 3.422 0.578 270 HN2 NH2 36 H2 NHE 36 -16.890 5.031 1.245 Start of MODEL 4 1 H1 ARG 1 H1 ARG 1 7.534 12.344 -4.730 2 H2 ARG 1 H2 ARG 1 7.193 10.878 -4.083 3 H3 ARG 1 H3 ARG 1 8.017 10.988 -5.496 4 HA ARG 1 HA ARG 1 9.014 11.949 -2.895 5 HB2 ARG 1 HB2 ARG 1 9.719 9.424 -4.375 6 HB3 ARG 1 HB3 ARG 1 10.829 10.058 -3.514 7 HG2 ARG 1 HG2 ARG 1 8.272 9.115 -2.256 8 HG3 ARG 1 HG3 ARG 1 9.625 8.372 -2.217 9 HD2 ARG 1 HD2 ARG 1 10.605 10.612 -1.079 10 HD3 ARG 1 HD3 ARG 1 9.159 11.100 -0.951 11 HE ARG 1 HE ARG 1 9.041 8.486 0.123 12 HH11 ARG 1 HH11 ARG 1 10.464 11.589 0.971 13 HH12 ARG 1 HH12 ARG 1 10.678 11.121 2.634 14 HH21 ARG 1 HH21 ARG 1 9.534 7.906 2.140 15 HH22 ARG 1 HH22 ARG 1 10.107 9.087 3.310 16 H ASP 2 H ASP 2 11.322 12.470 -2.927 17 HA ASP 2 HA ASP 2 12.355 13.429 -5.551 18 HB2 ASP 2 HB2 ASP 2 11.251 15.324 -4.229 19 HB3 ASP 2 HB3 ASP 2 12.116 15.091 -3.022 20 HA PRO 3 HA PRO 3 16.189 12.634 -2.860 21 HB2 PRO 3 HB2 PRO 3 16.161 11.753 -0.340 22 HB3 PRO 3 HB3 PRO 3 15.976 13.226 -0.658 23 HG2 PRO 3 HG2 PRO 3 13.618 11.558 0.070 24 HG3 PRO 3 HG3 PRO 3 13.937 12.907 0.531 25 HD2 PRO 3 HD2 PRO 3 12.336 13.002 -1.630 26 HD3 PRO 3 HD3 PRO 3 13.373 14.108 -1.411 27 H LEU 4 H LEU 4 13.569 10.300 -2.357 28 HA LEU 4 HA LEU 4 13.365 8.061 -2.619 29 HB2 LEU 4 HB2 LEU 4 13.782 9.372 -5.053 30 HB3 LEU 4 HB3 LEU 4 14.765 8.258 -5.263 31 HG LEU 4 HG LEU 4 11.872 7.691 -4.447 32 HD11 LEU 4 HD11 LEU 4 12.029 8.784 -6.646 33 HD12 LEU 4 HD12 LEU 4 11.519 7.096 -6.805 34 HD13 LEU 4 HD13 LEU 4 13.196 7.555 -7.184 35 HD21 LEU 4 HD21 LEU 4 12.263 5.395 -5.255 36 HD22 LEU 4 HD22 LEU 4 13.336 5.780 -3.905 37 HD23 LEU 4 HD23 LEU 4 13.972 5.786 -5.561 38 H LEU 5 H LEU 5 15.601 8.410 -0.972 39 HA LEU 5 HA LEU 5 17.857 6.844 -1.874 40 HB2 LEU 5 HB2 LEU 5 17.232 7.620 0.959 41 HB3 LEU 5 HB3 LEU 5 18.594 7.040 0.503 42 HG LEU 5 HG LEU 5 17.527 9.678 -0.588 43 HD11 LEU 5 HD11 LEU 5 18.104 9.772 1.806 44 HD12 LEU 5 HD12 LEU 5 19.245 10.705 0.824 45 HD13 LEU 5 HD13 LEU 5 19.714 9.107 1.448 46 HD21 LEU 5 HD21 LEU 5 19.057 8.670 -2.213 47 HD22 LEU 5 HD22 LEU 5 20.246 8.338 -0.929 48 HD23 LEU 5 HD23 LEU 5 19.860 10.010 -1.396 49 H ASP 6 H ASP 6 14.955 5.948 -0.106 50 HA ASP 6 HA ASP 6 15.674 3.077 -0.426 51 HB2 ASP 6 HB2 ASP 6 16.217 4.064 1.988 52 HB3 ASP 6 HB3 ASP 6 14.733 4.232 2.226 53 H ALA 7 H ALA 7 13.372 5.430 -0.905 54 HA ALA 7 HA ALA 7 10.930 4.313 -0.095 55 HB1 ALA 7 HB1 ALA 7 9.936 5.809 -1.758 56 HB2 ALA 7 HB2 ALA 7 11.218 6.624 -0.847 57 HB3 ALA 7 HB3 ALA 7 11.518 6.064 -2.509 58 H NLE 8 H NLE 8 12.841 3.549 -2.999 59 HA NLE 8 HA NLE 8 10.924 2.101 -4.434 60 HB2 NLE 8 HB2 NLE 8 12.612 1.288 -5.772 61 HB3 NLE 8 HB3 NLE 8 13.198 2.846 -5.244 62 HG2 NLE 8 HG2 NLE 8 14.073 0.105 -4.203 63 HG3 NLE 8 HG3 NLE 8 14.951 1.105 -5.338 64 HD2 NLE 8 HD2 NLE 8 14.447 1.816 -2.417 65 HD3 NLE 8 HD3 NLE 8 15.932 1.153 -3.089 66 HE1 NLE 8 HE1 NLE 8 16.155 3.170 -4.560 67 HE2 NLE 8 HE2 NLE 8 14.736 3.873 -3.749 68 HE3 NLE 8 HE3 NLE 8 16.210 3.540 -2.828 69 H ARG 9 H ARG 9 12.496 1.126 -1.505 70 HA ARG 9 HA ARG 9 11.456 -1.684 -1.758 71 HB2 ARG 9 HB2 ARG 9 13.236 -0.688 0.446 72 HB3 ARG 9 HB3 ARG 9 12.744 -2.143 0.276 73 HG2 ARG 9 HG2 ARG 9 13.967 -2.051 -2.112 74 HG3 ARG 9 HG3 ARG 9 14.605 -0.745 -1.690 75 HD2 ARG 9 HD2 ARG 9 15.140 -3.297 -0.156 76 HD3 ARG 9 HD3 ARG 9 16.120 -2.605 -1.121 77 HE ARG 9 HE ARG 9 15.664 -0.514 0.629 78 HH11 ARG 9 HH11 ARG 9 16.613 -3.851 1.235 79 HH12 ARG 9 HH12 ARG 9 17.372 -3.418 2.744 80 HH21 ARG 9 HH21 ARG 9 16.560 -0.070 2.421 81 HH22 ARG 9 HH22 ARG 9 17.361 -1.277 3.435 82 H ARG 10 H ARG 10 11.589 0.887 0.747 83 HA ARG 10 HA ARG 10 9.596 -0.446 2.313 84 HB2 ARG 10 HB2 ARG 10 10.143 1.195 3.918 85 HB3 ARG 10 HB3 ARG 10 11.464 0.945 3.177 86 HG2 ARG 10 HG2 ARG 10 10.671 3.081 1.684 87 HG3 ARG 10 HG3 ARG 10 9.663 3.362 2.799 88 HD2 ARG 10 HD2 ARG 10 12.635 3.443 3.267 89 HD3 ARG 10 HD3 ARG 10 11.658 4.644 3.271 90 HE ARG 10 HE ARG 10 10.609 3.859 5.332 91 HH11 ARG 10 HH11 ARG 10 13.633 2.136 4.574 92 HH12 ARG 10 HH12 ARG 10 13.829 1.682 6.244 93 HH21 ARG 10 HH21 ARG 10 10.979 3.190 7.394 94 HH22 ARG 10 HH22 ARG 10 12.392 2.248 7.773 95 H GLU 11 H GLU 11 9.226 2.298 0.104 96 HA GLU 11 HA GLU 11 6.317 2.505 0.760 97 HB2 GLU 11 HB2 GLU 11 8.004 4.292 -0.978 98 HB3 GLU 11 HB3 GLU 11 6.490 4.441 -0.918 99 HG2 GLU 11 HG2 GLU 11 6.454 5.030 1.450 100 HG3 GLU 11 HG3 GLU 11 7.746 4.313 1.813 101 H GLY 12 H GLY 12 8.500 1.474 -1.860 102 HA2 GLY 12 HA2 GLY 12 6.620 0.744 -3.840 103 HA3 GLY 12 HA3 GLY 12 8.123 -0.122 -3.480 104 H ALA 13 H ALA 13 7.662 -1.162 -0.938 105 HA ALA 13 HA ALA 13 5.926 -3.366 -1.329 106 HB1 ALA 13 HB1 ALA 13 7.833 -3.393 0.204 107 HB2 ALA 13 HB2 ALA 13 7.046 -2.182 1.244 108 HB3 ALA 13 HB3 ALA 13 6.339 -3.803 1.066 109 H NLE 14 H NLE 14 5.319 -0.364 0.590 110 HA NLE 14 HA NLE 14 2.693 -1.061 1.445 111 HB2 NLE 14 HB2 NLE 14 3.995 1.642 0.976 112 HB3 NLE 14 HB3 NLE 14 2.374 1.444 1.651 113 HG2 NLE 14 HG2 NLE 14 3.293 0.033 3.478 114 HG3 NLE 14 HG3 NLE 14 4.927 0.316 2.882 115 HD2 NLE 14 HD2 NLE 14 2.996 2.466 3.870 116 HD3 NLE 14 HD3 NLE 14 4.306 1.753 4.813 117 HE1 NLE 14 HE1 NLE 14 5.969 2.669 3.198 118 HE2 NLE 14 HE2 NLE 14 4.641 3.452 2.303 119 HE3 NLE 14 HE3 NLE 14 4.993 3.930 3.971 120 H ASP 15 H ASP 15 3.790 0.494 -1.574 121 HA ASP 15 HA ASP 15 1.219 1.110 -2.623 122 HB2 ASP 15 HB2 ASP 15 3.609 1.849 -3.439 123 HB3 ASP 15 HB3 ASP 15 3.780 0.524 -4.146 124 H PHE 16 H PHE 16 2.674 -2.037 -2.319 125 HA PHE 16 HA PHE 16 0.427 -3.106 -3.977 126 HB2 PHE 16 HB2 PHE 16 1.762 -4.897 -4.727 127 HB3 PHE 16 HB3 PHE 16 2.436 -3.556 -5.151 128 HD1 PHE 16 HD1 PHE 16 2.665 -6.037 -2.290 129 HD2 PHE 16 HD2 PHE 16 4.754 -3.372 -4.965 130 HE1 PHE 16 HE1 PHE 16 4.835 -6.880 -1.442 131 HE2 PHE 16 HE2 PHE 16 6.922 -4.247 -4.139 132 HZ PHE 16 HZ PHE 16 6.970 -6.004 -2.376 133 H TRP 17 H TRP 17 1.790 -3.139 -0.770 134 HA TRP 17 HA TRP 17 0.082 -5.293 0.185 135 HB2 TRP 17 HB2 TRP 17 1.915 -4.172 1.568 136 HB3 TRP 17 HB3 TRP 17 1.195 -2.818 1.554 137 HD1 TRP 17 HD1 TRP 17 -0.361 -2.263 3.496 138 HE1 TRP 17 HE1 TRP 17 -1.518 -3.551 5.393 139 HE3 TRP 17 HE3 TRP 17 0.717 -7.046 2.001 140 HZ2 TRP 17 HZ2 TRP 17 -1.955 -6.305 6.145 141 HZ3 TRP 17 HZ3 TRP 17 -0.079 -8.985 3.336 142 HH2 TRP 17 HH2 TRP 17 -1.385 -8.626 5.418 143 H SER 18 H SER 18 -0.380 -1.722 -0.046 144 HA SER 18 HA SER 18 -3.081 -1.698 0.858 145 HB2 SER 18 HB2 SER 18 -3.013 0.651 0.062 146 HB3 SER 18 HB3 SER 18 -1.727 0.311 0.841 147 HG SER 18 HG SER 18 -0.529 0.192 -0.976 148 H ALA 19 H ALA 19 -1.900 -2.760 -2.218 149 HA ALA 19 HA ALA 19 -4.312 -2.390 -3.748 150 HB1 ALA 19 HB1 ALA 19 -2.049 -2.790 -4.714 151 HB2 ALA 19 HB2 ALA 19 -2.091 -4.451 -4.070 152 HB3 ALA 19 HB3 ALA 19 -3.258 -3.944 -5.304 153 H GLY 20 H GLY 20 -3.694 -4.522 -1.102 154 HA2 GLY 20 HA2 GLY 20 -6.256 -5.948 -1.633 155 HA3 GLY 20 HA3 GLY 20 -4.791 -6.918 -1.487 156 H ABA 21 H ABU 21 -3.848 -4.940 0.683 157 HA ABA 21 HA ABU 21 -3.590 -5.119 2.912 158 HB3 ABA 21 HB3 ABU 21 -6.448 -4.117 2.839 159 HB2 ABA 21 HB2 ABU 21 -5.036 -3.163 2.374 160 HG1 ABA 21 HG1 ABU 21 -5.680 -2.663 4.679 161 HG3 ABA 21 HG3 ABU 21 -4.083 -3.435 4.645 162 HG2 ABA 21 HG2 ABU 21 -5.517 -4.369 5.135 163 H TYR 22 H TYR 22 -3.228 -7.209 3.437 164 HA TYR 22 HA TYR 22 -3.433 -9.232 4.382 165 HB2 TYR 22 HB2 TYR 22 -6.291 -8.881 5.109 166 HB3 TYR 22 HB3 TYR 22 -5.332 -9.997 5.651 167 HD1 TYR 22 HD1 TYR 22 -3.206 -9.363 7.015 168 HD2 TYR 22 HD2 TYR 22 -6.563 -6.740 6.324 169 HE1 TYR 22 HE1 TYR 22 -2.619 -8.064 9.064 170 HE2 TYR 22 HE2 TYR 22 -5.991 -5.458 8.379 171 HH TYR 22 HH TYR 22 -4.580 -5.265 10.165 172 H ALA 23 H ALA 23 -4.161 -8.570 1.531 173 HA ALA 23 HA ALA 23 -5.111 -9.427 -0.342 174 HB1 ALA 23 HB1 ALA 23 -4.644 -11.779 -0.778 175 HB2 ALA 23 HB2 ALA 23 -3.279 -11.015 0.057 176 HB3 ALA 23 HB3 ALA 23 -4.384 -12.079 0.954 177 H ARG 24 H ARG 24 -6.959 -8.542 1.246 178 HA ARG 24 HA ARG 24 -9.251 -10.465 1.444 179 HB2 ARG 24 HB2 ARG 24 -8.105 -9.909 3.545 180 HB3 ARG 24 HB3 ARG 24 -8.092 -8.345 3.277 181 HG2 ARG 24 HG2 ARG 24 -9.774 -8.773 4.946 182 HG3 ARG 24 HG3 ARG 24 -10.368 -8.030 3.757 183 HD2 ARG 24 HD2 ARG 24 -11.220 -10.439 2.915 184 HD3 ARG 24 HD3 ARG 24 -10.661 -11.029 4.214 185 HE ARG 24 HE ARG 24 -12.445 -10.194 5.434 186 HH11 ARG 24 HH11 ARG 24 -12.221 -8.215 2.529 187 HH12 ARG 24 HH12 ARG 24 -13.730 -7.391 2.876 188 HH21 ARG 24 HH21 ARG 24 -14.351 -9.060 5.801 189 HH22 ARG 24 HH22 ARG 24 -14.854 -7.844 4.654 190 H GLY 25 H GLY 25 -8.447 -8.383 -0.672 191 HA2 GLY 25 HA2 GLY 25 -9.721 -7.214 -2.218 192 HA3 GLY 25 HA3 GLY 25 -11.147 -7.426 -1.201 193 H VAL 26 H VAL 26 -8.277 -5.968 0.176 194 HA VAL 26 HA VAL 26 -8.080 -4.092 1.400 195 HB VAL 26 HB VAL 26 -6.984 -3.475 -0.520 196 HG11 VAL 26 HG11 VAL 26 -9.548 -2.377 -1.710 197 HG12 VAL 26 HG12 VAL 26 -7.910 -2.086 -2.333 198 HG13 VAL 26 HG13 VAL 26 -8.564 -3.724 -2.313 199 HG21 VAL 26 HG21 VAL 26 -8.575 -1.056 0.374 200 HG22 VAL 26 HG22 VAL 26 -7.211 -1.784 1.261 201 HG23 VAL 26 HG23 VAL 26 -6.967 -1.075 -0.340 202 HA PRO 27 HA PRO 27 -12.452 -4.110 2.666 203 HB2 PRO 27 HB2 PRO 27 -11.394 -3.094 5.249 204 HB3 PRO 27 HB3 PRO 27 -12.473 -4.053 5.025 205 HG2 PRO 27 HG2 PRO 27 -10.225 -5.418 5.287 206 HG3 PRO 27 HG3 PRO 27 -11.180 -5.886 4.209 207 HD2 PRO 27 HD2 PRO 27 -8.719 -4.402 3.443 208 HD3 PRO 27 HD3 PRO 27 -9.387 -5.551 2.756 209 H LEU 28 H LEU 28 -10.504 -1.136 3.348 210 HA LEU 28 HA LEU 28 -12.783 0.580 3.472 211 HB2 LEU 28 HB2 LEU 28 -11.209 2.334 3.620 212 HB3 LEU 28 HB3 LEU 28 -10.829 1.178 4.635 213 HG LEU 28 HG LEU 28 -8.892 2.267 3.683 214 HD11 LEU 28 HD11 LEU 28 -7.505 0.376 3.226 215 HD12 LEU 28 HD12 LEU 28 -8.882 -0.629 2.775 216 HD13 LEU 28 HD13 LEU 28 -8.686 -0.080 4.462 217 HD21 LEU 28 HD21 LEU 28 -9.739 2.707 1.391 218 HD22 LEU 28 HD22 LEU 28 -9.507 0.988 1.006 219 HD23 LEU 28 HD23 LEU 28 -8.117 1.995 1.436 220 H SER 29 H SER 29 -11.538 -0.851 0.714 221 HA SER 29 HA SER 29 -13.115 0.964 -1.044 222 HB2 SER 29 HB2 SER 29 -10.407 -0.124 -1.856 223 HB3 SER 29 HB3 SER 29 -11.403 0.543 -2.835 224 HG SER 29 HG SER 29 -9.892 2.032 -1.952 225 H GLU 30 H GLU 30 -13.301 -1.932 0.273 226 HA GLU 30 HA GLU 30 -13.603 -3.779 -1.903 227 HB2 GLU 30 HB2 GLU 30 -13.745 -3.957 0.868 228 HB3 GLU 30 HB3 GLU 30 -15.258 -3.970 0.588 229 HG2 GLU 30 HG2 GLU 30 -14.644 -5.945 -1.147 230 HG3 GLU 30 HG3 GLU 30 -13.270 -5.994 -0.493 231 HA PRO 31 HA PRO 31 -17.475 -2.256 -3.626 232 HB2 PRO 31 HB2 PRO 31 -18.404 -4.963 -4.312 233 HB3 PRO 31 HB3 PRO 31 -18.340 -3.767 -5.161 234 HG2 PRO 31 HG2 PRO 31 -16.169 -5.243 -5.568 235 HG3 PRO 31 HG3 PRO 31 -16.003 -3.736 -5.574 236 HD2 PRO 31 HD2 PRO 31 -15.097 -5.299 -3.202 237 HD3 PRO 31 HD3 PRO 31 -14.452 -4.133 -3.879 238 HA PRO 32 HA PRO 32 -20.576 -4.308 -0.413 239 HB2 PRO 32 HB2 PRO 32 -18.836 -5.407 1.706 240 HB3 PRO 32 HB3 PRO 32 -20.135 -5.891 1.268 241 HG2 PRO 32 HG2 PRO 32 -18.296 -7.321 0.021 242 HG3 PRO 32 HG3 PRO 32 -19.458 -6.882 -0.825 243 HD2 PRO 32 HD2 PRO 32 -16.871 -5.352 -1.006 244 HD3 PRO 32 HD3 PRO 32 -17.695 -5.907 -2.097 245 H GLN 33 H GLN 33 -17.640 -2.487 0.258 246 HA GLN 33 HA GLN 33 -19.065 -0.765 2.253 247 HB2 GLN 33 HB2 GLN 33 -16.119 -1.008 1.740 248 HB3 GLN 33 HB3 GLN 33 -16.712 0.179 2.580 249 HG2 GLN 33 HG2 GLN 33 -16.349 -1.261 4.355 250 HG3 GLN 33 HG3 GLN 33 -17.842 -1.429 4.190 251 HE21 GLN 33 HE21 GLN 33 -14.848 -2.970 2.941 252 HE22 GLN 33 HE22 GLN 33 -15.478 -4.616 2.920 253 H ALA 34 H ALA 34 -18.509 -0.898 -1.034 254 HA ALA 34 HA ALA 34 -18.376 0.567 -2.746 255 HB1 ALA 34 HB1 ALA 34 -20.454 1.952 -1.016 256 HB2 ALA 34 HB2 ALA 34 -20.308 2.057 -2.785 257 HB3 ALA 34 HB3 ALA 34 -20.726 0.513 -2.024 258 H LEU 35 H LEU 35 -16.195 1.108 -1.133 259 HA LEU 35 HA LEU 35 -14.525 2.568 -0.701 260 HB2 LEU 35 HB2 LEU 35 -15.640 4.179 -2.957 261 HB3 LEU 35 HB3 LEU 35 -14.255 4.511 -2.271 262 HG LEU 35 HG LEU 35 -13.281 2.317 -2.882 263 HD11 LEU 35 HD11 LEU 35 -14.347 1.072 -4.788 264 HD12 LEU 35 HD12 LEU 35 -15.848 1.981 -4.495 265 HD13 LEU 35 HD13 LEU 35 -15.197 0.866 -3.267 266 HD21 LEU 35 HD21 LEU 35 -12.961 2.928 -5.239 267 HD22 LEU 35 HD22 LEU 35 -12.936 4.363 -4.208 268 HD23 LEU 35 HD23 LEU 35 -14.385 3.991 -5.170 269 HN1 NH2 36 H1 NHE 36 -17.221 3.059 0.753 270 HN2 NH2 36 H2 NHE 36 -16.953 4.639 1.466 Start of MODEL 5 1 H1 ARG 1 H1 ARG 1 7.896 12.271 -4.427 2 H2 ARG 1 H2 ARG 1 7.439 10.905 -3.656 3 H3 ARG 1 H3 ARG 1 8.262 10.811 -5.066 4 HA ARG 1 HA ARG 1 9.351 11.904 -2.543 5 HB2 ARG 1 HB2 ARG 1 9.889 9.239 -3.827 6 HB3 ARG 1 HB3 ARG 1 10.976 9.855 -2.913 7 HG2 ARG 1 HG2 ARG 1 8.263 9.166 -1.821 8 HG3 ARG 1 HG3 ARG 1 9.532 8.288 -1.683 9 HD2 ARG 1 HD2 ARG 1 10.622 10.514 -0.540 10 HD3 ARG 1 HD3 ARG 1 9.193 11.036 -0.442 11 HE ARG 1 HE ARG 1 8.984 8.404 0.590 12 HH11 ARG 1 HH11 ARG 1 10.503 11.434 1.530 13 HH12 ARG 1 HH12 ARG 1 10.706 10.908 3.177 14 HH21 ARG 1 HH21 ARG 1 9.487 7.744 2.579 15 HH22 ARG 1 HH22 ARG 1 10.074 8.875 3.793 16 H ASP 2 H ASP 2 10.586 13.613 -3.063 17 HA ASP 2 HA ASP 2 11.926 13.938 -5.578 18 HB2 ASP 2 HB2 ASP 2 11.261 15.792 -3.944 19 HB3 ASP 2 HB3 ASP 2 12.279 15.367 -2.924 20 HA PRO 3 HA PRO 3 16.038 12.723 -3.568 21 HB2 PRO 3 HB2 PRO 3 16.387 11.736 -1.127 22 HB3 PRO 3 HB3 PRO 3 16.096 13.213 -1.319 23 HG2 PRO 3 HG2 PRO 3 13.933 11.388 -0.384 24 HG3 PRO 3 HG3 PRO 3 14.268 12.715 0.125 25 HD2 PRO 3 HD2 PRO 3 12.369 12.860 -1.803 26 HD3 PRO 3 HD3 PRO 3 13.360 14.010 -1.598 27 H LEU 4 H LEU 4 13.495 10.361 -2.857 28 HA LEU 4 HA LEU 4 13.280 8.129 -3.099 29 HB2 LEU 4 HB2 LEU 4 13.521 9.377 -5.604 30 HB3 LEU 4 HB3 LEU 4 14.462 8.228 -5.843 31 HG LEU 4 HG LEU 4 11.610 7.808 -4.827 32 HD11 LEU 4 HD11 LEU 4 11.719 8.697 -7.123 33 HD12 LEU 4 HD12 LEU 4 11.137 7.025 -7.110 34 HD13 LEU 4 HD13 LEU 4 12.813 7.376 -7.591 35 HD21 LEU 4 HD21 LEU 4 11.878 5.440 -5.439 36 HD22 LEU 4 HD22 LEU 4 13.021 5.894 -4.171 37 HD23 LEU 4 HD23 LEU 4 13.586 5.728 -5.846 38 H LEU 5 H LEU 5 15.695 8.591 -1.688 39 HA LEU 5 HA LEU 5 17.848 6.978 -2.742 40 HB2 LEU 5 HB2 LEU 5 17.482 7.969 0.075 41 HB3 LEU 5 HB3 LEU 5 18.779 7.275 -0.400 42 HG LEU 5 HG LEU 5 17.804 9.827 -1.750 43 HD11 LEU 5 HD11 LEU 5 18.389 10.196 0.612 44 HD12 LEU 5 HD12 LEU 5 19.576 10.941 -0.468 45 HD13 LEU 5 HD13 LEU 5 19.965 9.411 0.353 46 HD21 LEU 5 HD21 LEU 5 19.286 8.555 -3.233 47 HD22 LEU 5 HD22 LEU 5 20.465 8.346 -1.916 48 HD23 LEU 5 HD23 LEU 5 20.141 9.957 -2.593 49 H ASP 6 H ASP 6 15.147 6.157 -0.640 50 HA ASP 6 HA ASP 6 15.923 3.288 -0.827 51 HB2 ASP 6 HB2 ASP 6 16.650 4.516 1.443 52 HB3 ASP 6 HB3 ASP 6 15.187 4.592 1.822 53 H ALA 7 H ALA 7 13.457 5.548 -1.128 54 HA ALA 7 HA ALA 7 11.208 4.338 0.029 55 HB1 ALA 7 HB1 ALA 7 9.931 5.751 -1.522 56 HB2 ALA 7 HB2 ALA 7 11.284 6.641 -0.803 57 HB3 ALA 7 HB3 ALA 7 11.390 6.053 -2.481 58 H NLE 8 H NLE 8 12.751 3.571 -3.078 59 HA NLE 8 HA NLE 8 10.688 2.122 -4.273 60 HB2 NLE 8 HB2 NLE 8 12.212 1.317 -5.812 61 HB3 NLE 8 HB3 NLE 8 12.826 2.888 -5.358 62 HG2 NLE 8 HG2 NLE 8 13.880 0.169 -4.433 63 HG3 NLE 8 HG3 NLE 8 14.591 1.187 -5.665 64 HD2 NLE 8 HD2 NLE 8 14.439 1.877 -2.700 65 HD3 NLE 8 HD3 NLE 8 15.844 1.265 -3.566 66 HE1 NLE 8 HE1 NLE 8 15.804 3.303 -5.033 67 HE2 NLE 8 HE2 NLE 8 14.493 3.953 -4.023 68 HE3 NLE 8 HE3 NLE 8 16.089 3.652 -3.320 69 H ARG 9 H ARG 9 12.645 1.081 -1.590 70 HA ARG 9 HA ARG 9 11.761 -1.765 -1.824 71 HB2 ARG 9 HB2 ARG 9 13.331 -0.606 0.457 72 HB3 ARG 9 HB3 ARG 9 13.028 -2.108 0.242 73 HG2 ARG 9 HG2 ARG 9 14.355 -1.824 -2.068 74 HG3 ARG 9 HG3 ARG 9 14.787 -0.443 -1.605 75 HD2 ARG 9 HD2 ARG 9 15.620 -2.930 -0.107 76 HD3 ARG 9 HD3 ARG 9 16.533 -2.012 -0.943 77 HE ARG 9 HE ARG 9 16.038 -0.104 0.692 78 HH11 ARG 9 HH11 ARG 9 15.898 -3.428 1.833 79 HH12 ARG 9 HH12 ARG 9 16.026 -2.925 3.496 80 HH21 ARG 9 HH21 ARG 9 16.069 0.447 2.730 81 HH22 ARG 9 HH22 ARG 9 16.167 -0.761 4.003 82 H ARG 10 H ARG 10 11.610 0.733 0.706 83 HA ARG 10 HA ARG 10 9.644 -0.718 2.216 84 HB2 ARG 10 HB2 ARG 10 10.039 1.027 3.831 85 HB3 ARG 10 HB3 ARG 10 11.400 0.578 3.233 86 HG2 ARG 10 HG2 ARG 10 10.807 2.785 1.598 87 HG3 ARG 10 HG3 ARG 10 10.009 3.216 2.802 88 HD2 ARG 10 HD2 ARG 10 12.980 2.662 3.004 89 HD3 ARG 10 HD3 ARG 10 12.338 4.062 2.951 90 HE ARG 10 HE ARG 10 11.024 3.267 5.118 91 HH11 ARG 10 HH11 ARG 10 14.419 2.552 4.375 92 HH12 ARG 10 HH12 ARG 10 14.821 2.486 6.071 93 HH21 ARG 10 HH21 ARG 10 11.655 3.113 7.229 94 HH22 ARG 10 HH22 ARG 10 13.314 2.777 7.626 95 H GLU 11 H GLU 11 9.274 2.323 0.368 96 HA GLU 11 HA GLU 11 6.360 2.373 0.888 97 HB2 GLU 11 HB2 GLU 11 8.035 4.246 -0.773 98 HB3 GLU 11 HB3 GLU 11 6.522 4.382 -0.698 99 HG2 GLU 11 HG2 GLU 11 6.499 4.830 1.713 100 HG3 GLU 11 HG3 GLU 11 7.825 4.146 2.013 101 H GLY 12 H GLY 12 8.588 1.441 -1.717 102 HA2 GLY 12 HA2 GLY 12 6.740 0.785 -3.760 103 HA3 GLY 12 HA3 GLY 12 8.258 -0.063 -3.432 104 H ALA 13 H ALA 13 7.798 -1.265 -0.954 105 HA ALA 13 HA ALA 13 6.056 -3.451 -1.513 106 HB1 ALA 13 HB1 ALA 13 7.998 -3.623 -0.034 107 HB2 ALA 13 HB2 ALA 13 7.245 -2.503 1.126 108 HB3 ALA 13 HB3 ALA 13 6.519 -4.096 0.821 109 H NLE 14 H NLE 14 5.541 -0.622 0.677 110 HA NLE 14 HA NLE 14 2.941 -1.350 1.537 111 HB2 NLE 14 HB2 NLE 14 4.252 1.366 1.241 112 HB3 NLE 14 HB3 NLE 14 2.643 1.137 1.938 113 HG2 NLE 14 HG2 NLE 14 3.571 -0.424 3.626 114 HG3 NLE 14 HG3 NLE 14 5.196 -0.143 3.011 115 HD2 NLE 14 HD2 NLE 14 3.364 1.972 4.229 116 HD3 NLE 14 HD3 NLE 14 4.688 1.151 5.059 117 HE1 NLE 14 HE1 NLE 14 6.306 2.141 3.426 118 HE2 NLE 14 HE2 NLE 14 4.960 3.053 2.693 119 HE3 NLE 14 HE3 NLE 14 5.428 3.356 4.372 120 H ASP 15 H ASP 15 3.914 0.370 -1.434 121 HA ASP 15 HA ASP 15 1.316 1.072 -2.340 122 HB2 ASP 15 HB2 ASP 15 3.672 1.794 -3.242 123 HB3 ASP 15 HB3 ASP 15 3.800 0.483 -3.985 124 H PHE 16 H PHE 16 2.710 -2.119 -2.234 125 HA PHE 16 HA PHE 16 0.379 -3.078 -3.849 126 HB2 PHE 16 HB2 PHE 16 1.650 -4.856 -4.715 127 HB3 PHE 16 HB3 PHE 16 2.348 -3.518 -5.102 128 HD1 PHE 16 HD1 PHE 16 2.590 -6.155 -2.394 129 HD2 PHE 16 HD2 PHE 16 4.677 -3.368 -4.943 130 HE1 PHE 16 HE1 PHE 16 4.760 -7.091 -1.648 131 HE2 PHE 16 HE2 PHE 16 6.843 -4.337 -4.224 132 HZ PHE 16 HZ PHE 16 6.892 -6.198 -2.572 133 H TRP 17 H TRP 17 1.896 -3.274 -0.711 134 HA TRP 17 HA TRP 17 0.193 -5.418 0.276 135 HB2 TRP 17 HB2 TRP 17 2.083 -4.418 1.613 136 HB3 TRP 17 HB3 TRP 17 1.463 -2.999 1.595 137 HD1 TRP 17 HD1 TRP 17 0.029 -2.271 3.553 138 HE1 TRP 17 HE1 TRP 17 -1.140 -3.399 5.539 139 HE3 TRP 17 HE3 TRP 17 0.732 -7.176 2.232 140 HZ2 TRP 17 HZ2 TRP 17 -1.660 -6.079 6.466 141 HZ3 TRP 17 HZ3 TRP 17 -0.095 -8.999 3.706 142 HH2 TRP 17 HH2 TRP 17 -1.253 -8.464 5.837 143 H SER 18 H SER 18 -0.210 -1.831 0.193 144 HA SER 18 HA SER 18 -2.848 -1.800 1.251 145 HB2 SER 18 HB2 SER 18 -2.797 0.575 0.526 146 HB3 SER 18 HB3 SER 18 -1.476 0.192 1.224 147 HG SER 18 HG SER 18 -0.379 0.130 -0.656 148 H ALA 19 H ALA 19 -1.842 -2.615 -1.988 149 HA ALA 19 HA ALA 19 -4.338 -2.189 -3.332 150 HB1 ALA 19 HB1 ALA 19 -2.138 -2.459 -4.454 151 HB2 ALA 19 HB2 ALA 19 -2.101 -4.166 -3.946 152 HB3 ALA 19 HB3 ALA 19 -3.349 -3.599 -5.068 153 H GLY 20 H GLY 20 -3.547 -4.535 -0.936 154 HA2 GLY 20 HA2 GLY 20 -6.084 -6.027 -1.506 155 HA3 GLY 20 HA3 GLY 20 -4.571 -6.907 -1.294 156 H ABA 21 H ABU 21 -3.791 -4.888 0.850 157 HA ABA 21 HA ABU 21 -3.585 -4.959 3.080 158 HB3 ABA 21 HB3 ABU 21 -6.465 -4.038 2.895 159 HB2 ABA 21 HB2 ABU 21 -5.067 -3.074 2.398 160 HG1 ABA 21 HG1 ABU 21 -5.749 -2.447 4.653 161 HG3 ABA 21 HG3 ABU 21 -4.148 -3.214 4.707 162 HG2 ABA 21 HG2 ABU 21 -5.593 -4.120 5.210 163 H TYR 22 H TYR 22 -3.192 -6.838 4.048 164 HA TYR 22 HA TYR 22 -3.392 -8.818 5.074 165 HB2 TYR 22 HB2 TYR 22 -6.252 -8.435 5.759 166 HB3 TYR 22 HB3 TYR 22 -5.240 -9.388 6.469 167 HD1 TYR 22 HD1 TYR 22 -3.226 -8.456 7.784 168 HD2 TYR 22 HD2 TYR 22 -6.560 -6.058 6.465 169 HE1 TYR 22 HE1 TYR 22 -2.683 -6.742 9.516 170 HE2 TYR 22 HE2 TYR 22 -6.017 -4.348 8.191 171 HH TYR 22 HH TYR 22 -4.631 -3.757 9.917 172 H ALA 23 H ALA 23 -4.040 -8.513 2.176 173 HA ALA 23 HA ALA 23 -4.948 -9.562 0.387 174 HB1 ALA 23 HB1 ALA 23 -4.485 -11.955 0.241 175 HB2 ALA 23 HB2 ALA 23 -3.144 -11.105 1.030 176 HB3 ALA 23 HB3 ALA 23 -4.291 -12.054 2.005 177 H ARG 24 H ARG 24 -6.863 -8.516 1.895 178 HA ARG 24 HA ARG 24 -9.165 -10.434 2.037 179 HB2 ARG 24 HB2 ARG 24 -8.190 -9.796 4.196 180 HB3 ARG 24 HB3 ARG 24 -8.179 -8.247 3.894 181 HG2 ARG 24 HG2 ARG 24 -10.003 -8.652 5.413 182 HG3 ARG 24 HG3 ARG 24 -10.502 -7.956 4.152 183 HD2 ARG 24 HD2 ARG 24 -11.241 -10.405 3.324 184 HD3 ARG 24 HD3 ARG 24 -10.802 -10.938 4.693 185 HE ARG 24 HE ARG 24 -12.710 -10.090 5.700 186 HH11 ARG 24 HH11 ARG 24 -12.245 -8.237 2.745 187 HH12 ARG 24 HH12 ARG 24 -13.798 -7.443 2.897 188 HH21 ARG 24 HH21 ARG 24 -14.660 -8.972 5.839 189 HH22 ARG 24 HH22 ARG 24 -15.069 -7.820 4.593 190 H GLY 25 H GLY 25 -8.184 -8.386 -0.066 191 HA2 GLY 25 HA2 GLY 25 -9.389 -7.464 -1.819 192 HA3 GLY 25 HA3 GLY 25 -10.887 -7.672 -0.910 193 H VAL 26 H VAL 26 -8.152 -5.914 0.432 194 HA VAL 26 HA VAL 26 -8.070 -3.886 1.420 195 HB VAL 26 HB VAL 26 -7.021 -3.466 -0.606 196 HG11 VAL 26 HG11 VAL 26 -9.639 -2.531 -1.826 197 HG12 VAL 26 HG12 VAL 26 -8.023 -2.304 -2.521 198 HG13 VAL 26 HG13 VAL 26 -8.666 -3.932 -2.315 199 HG21 VAL 26 HG21 VAL 26 -8.678 -1.028 0.111 200 HG22 VAL 26 HG22 VAL 26 -7.250 -1.616 1.002 201 HG23 VAL 26 HG23 VAL 26 -7.096 -1.057 -0.669 202 HA PRO 27 HA PRO 27 -12.505 -4.112 2.519 203 HB2 PRO 27 HB2 PRO 27 -11.591 -2.979 5.111 204 HB3 PRO 27 HB3 PRO 27 -12.626 -3.984 4.878 205 HG2 PRO 27 HG2 PRO 27 -10.345 -5.263 5.271 206 HG3 PRO 27 HG3 PRO 27 -11.234 -5.789 4.163 207 HD2 PRO 27 HD2 PRO 27 -8.796 -4.231 3.467 208 HD3 PRO 27 HD3 PRO 27 -9.386 -5.431 2.793 209 H LEU 28 H LEU 28 -10.668 -1.070 3.158 210 HA LEU 28 HA LEU 28 -12.978 0.596 3.208 211 HB2 LEU 28 HB2 LEU 28 -11.442 2.385 3.290 212 HB3 LEU 28 HB3 LEU 28 -11.032 1.276 4.344 213 HG LEU 28 HG LEU 28 -9.120 2.370 3.346 214 HD11 LEU 28 HD11 LEU 28 -7.693 0.507 2.972 215 HD12 LEU 28 HD12 LEU 28 -9.034 -0.545 2.510 216 HD13 LEU 28 HD13 LEU 28 -8.884 0.034 4.192 217 HD21 LEU 28 HD21 LEU 28 -9.999 2.714 1.047 218 HD22 LEU 28 HD22 LEU 28 -9.721 0.990 0.718 219 HD23 LEU 28 HD23 LEU 28 -8.358 2.049 1.102 220 H SER 29 H SER 29 -11.666 -0.885 0.489 221 HA SER 29 HA SER 29 -13.307 0.829 -1.317 222 HB2 SER 29 HB2 SER 29 -10.573 -0.212 -2.105 223 HB3 SER 29 HB3 SER 29 -11.594 0.387 -3.104 224 HG SER 29 HG SER 29 -10.138 1.959 -2.299 225 H GLU 30 H GLU 30 -13.223 -2.120 0.045 226 HA GLU 30 HA GLU 30 -13.633 -3.952 -2.117 227 HB2 GLU 30 HB2 GLU 30 -13.385 -4.258 0.563 228 HB3 GLU 30 HB3 GLU 30 -14.915 -4.096 0.603 229 HG2 GLU 30 HG2 GLU 30 -14.874 -6.082 -1.236 230 HG3 GLU 30 HG3 GLU 30 -13.414 -6.293 -0.849 231 HA PRO 31 HA PRO 31 -17.595 -2.552 -3.631 232 HB2 PRO 31 HB2 PRO 31 -18.495 -5.320 -4.158 233 HB3 PRO 31 HB3 PRO 31 -18.573 -4.151 -5.035 234 HG2 PRO 31 HG2 PRO 31 -16.348 -5.475 -5.603 235 HG3 PRO 31 HG3 PRO 31 -16.268 -3.965 -5.613 236 HD2 PRO 31 HD2 PRO 31 -15.102 -5.479 -3.329 237 HD3 PRO 31 HD3 PRO 31 -14.590 -4.256 -4.030 238 HA PRO 32 HA PRO 32 -20.688 -4.470 -0.409 239 HB2 PRO 32 HB2 PRO 32 -19.120 -5.563 1.817 240 HB3 PRO 32 HB3 PRO 32 -20.361 -6.078 1.245 241 HG2 PRO 32 HG2 PRO 32 -18.338 -7.461 0.232 242 HG3 PRO 32 HG3 PRO 32 -19.444 -7.100 -0.722 243 HD2 PRO 32 HD2 PRO 32 -16.921 -5.455 -0.731 244 HD3 PRO 32 HD3 PRO 32 -17.615 -6.081 -1.870 245 H GLN 33 H GLN 33 -17.734 -2.713 0.331 246 HA GLN 33 HA GLN 33 -19.154 -0.935 2.274 247 HB2 GLN 33 HB2 GLN 33 -16.222 -1.121 1.673 248 HB3 GLN 33 HB3 GLN 33 -16.818 0.049 2.529 249 HG2 GLN 33 HG2 GLN 33 -16.363 -1.391 4.293 250 HG3 GLN 33 HG3 GLN 33 -17.863 -1.567 4.178 251 HE21 GLN 33 HE21 GLN 33 -14.924 -3.088 2.778 252 HE22 GLN 33 HE22 GLN 33 -15.534 -4.740 2.809 253 H ALA 34 H ALA 34 -18.759 -1.151 -1.013 254 HA ALA 34 HA ALA 34 -18.729 0.256 -2.776 255 HB1 ALA 34 HB1 ALA 34 -20.711 1.686 -0.971 256 HB2 ALA 34 HB2 ALA 34 -20.673 1.729 -2.748 257 HB3 ALA 34 HB3 ALA 34 -21.029 0.209 -1.911 258 H LEU 35 H LEU 35 -16.464 0.879 -1.276 259 HA LEU 35 HA LEU 35 -14.794 2.371 -0.995 260 HB2 LEU 35 HB2 LEU 35 -16.011 3.871 -3.273 261 HB3 LEU 35 HB3 LEU 35 -14.587 4.215 -2.670 262 HG LEU 35 HG LEU 35 -13.680 1.974 -3.237 263 HD11 LEU 35 HD11 LEU 35 -14.861 0.692 -5.052 264 HD12 LEU 35 HD12 LEU 35 -16.326 1.640 -4.717 265 HD13 LEU 35 HD13 LEU 35 -15.637 0.550 -3.487 266 HD21 LEU 35 HD21 LEU 35 -13.456 2.489 -5.628 267 HD22 LEU 35 HD22 LEU 35 -13.352 3.961 -4.655 268 HD23 LEU 35 HD23 LEU 35 -14.851 3.590 -5.536 269 HN1 NH2 36 H1 NHE 36 -17.406 2.899 0.565 270 HN2 NH2 36 H2 NHE 36 -17.140 4.523 1.175 Start of MODEL 6 1 H1 ARG 1 H1 ARG 1 7.333 11.681 -4.793 2 H2 ARG 1 H2 ARG 1 7.105 10.259 -4.014 3 H3 ARG 1 H3 ARG 1 7.841 10.290 -5.479 4 HA ARG 1 HA ARG 1 8.931 11.495 -3.022 5 HB2 ARG 1 HB2 ARG 1 9.755 8.935 -4.374 6 HB3 ARG 1 HB3 ARG 1 10.791 9.669 -3.501 7 HG2 ARG 1 HG2 ARG 1 8.260 8.591 -2.298 8 HG3 ARG 1 HG3 ARG 1 9.662 7.943 -2.194 9 HD2 ARG 1 HD2 ARG 1 10.429 10.278 -1.079 10 HD3 ARG 1 HD3 ARG 1 8.949 10.649 -1.005 11 HE ARG 1 HE ARG 1 8.984 8.059 0.117 12 HH11 ARG 1 HH11 ARG 1 10.216 11.246 0.953 13 HH12 ARG 1 HH12 ARG 1 10.437 10.805 2.624 14 HH21 ARG 1 HH21 ARG 1 9.503 7.526 2.144 15 HH22 ARG 1 HH22 ARG 1 9.975 8.753 3.313 16 H ASP 2 H ASP 2 11.188 12.138 -3.200 17 HA ASP 2 HA ASP 2 12.015 13.025 -5.927 18 HB2 ASP 2 HB2 ASP 2 11.002 14.893 -4.495 19 HB3 ASP 2 HB3 ASP 2 12.003 14.681 -3.390 20 HA PRO 3 HA PRO 3 16.101 12.312 -3.622 21 HB2 PRO 3 HB2 PRO 3 16.354 11.417 -1.125 22 HB3 PRO 3 HB3 PRO 3 16.071 12.881 -1.400 23 HG2 PRO 3 HG2 PRO 3 13.871 11.093 -0.480 24 HG3 PRO 3 HG3 PRO 3 14.176 12.446 -0.023 25 HD2 PRO 3 HD2 PRO 3 12.366 12.496 -2.024 26 HD3 PRO 3 HD3 PRO 3 13.358 13.650 -1.872 27 H LEU 4 H LEU 4 13.584 9.916 -2.979 28 HA LEU 4 HA LEU 4 13.396 7.684 -3.268 29 HB2 LEU 4 HB2 LEU 4 13.699 9.029 -5.714 30 HB3 LEU 4 HB3 LEU 4 14.648 7.895 -5.976 31 HG LEU 4 HG LEU 4 11.782 7.402 -5.029 32 HD11 LEU 4 HD11 LEU 4 11.890 8.439 -7.261 33 HD12 LEU 4 HD12 LEU 4 11.331 6.762 -7.361 34 HD13 LEU 4 HD13 LEU 4 13.004 7.167 -7.808 35 HD21 LEU 4 HD21 LEU 4 12.083 5.081 -5.795 36 HD22 LEU 4 HD22 LEU 4 13.216 5.466 -4.494 37 HD23 LEU 4 HD23 LEU 4 13.789 5.417 -6.174 38 H LEU 5 H LEU 5 15.754 8.084 -1.770 39 HA LEU 5 HA LEU 5 17.980 6.587 -2.803 40 HB2 LEU 5 HB2 LEU 5 17.434 7.242 0.080 41 HB3 LEU 5 HB3 LEU 5 18.785 6.689 -0.424 42 HG LEU 5 HG LEU 5 17.686 9.341 -1.447 43 HD11 LEU 5 HD11 LEU 5 18.238 9.400 0.951 44 HD12 LEU 5 HD12 LEU 5 19.382 10.360 0.001 45 HD13 LEU 5 HD13 LEU 5 19.858 8.755 0.602 46 HD21 LEU 5 HD21 LEU 5 19.241 8.375 -3.076 47 HD22 LEU 5 HD22 LEU 5 20.425 8.042 -1.789 48 HD23 LEU 5 HD23 LEU 5 20.017 9.715 -2.233 49 H ASP 6 H ASP 6 15.237 5.562 -0.816 50 HA ASP 6 HA ASP 6 15.936 2.727 -1.371 51 HB2 ASP 6 HB2 ASP 6 16.741 3.637 1.022 52 HB3 ASP 6 HB3 ASP 6 15.285 3.682 1.442 53 H ALA 7 H ALA 7 13.579 5.021 -1.540 54 HA ALA 7 HA ALA 7 11.266 3.899 -0.419 55 HB1 ALA 7 HB1 ALA 7 10.057 5.382 -1.941 56 HB2 ALA 7 HB2 ALA 7 11.452 6.207 -1.224 57 HB3 ALA 7 HB3 ALA 7 11.522 5.630 -2.907 58 H NLE 8 H NLE 8 12.794 3.131 -3.533 59 HA NLE 8 HA NLE 8 10.706 1.733 -4.747 60 HB2 NLE 8 HB2 NLE 8 12.219 0.921 -6.290 61 HB3 NLE 8 HB3 NLE 8 12.864 2.473 -5.816 62 HG2 NLE 8 HG2 NLE 8 13.860 -0.278 -4.925 63 HG3 NLE 8 HG3 NLE 8 14.596 0.742 -6.140 64 HD2 NLE 8 HD2 NLE 8 14.449 1.392 -3.166 65 HD3 NLE 8 HD3 NLE 8 15.843 0.761 -4.034 66 HE1 NLE 8 HE1 NLE 8 15.861 2.819 -5.471 67 HE2 NLE 8 HE2 NLE 8 14.557 3.486 -4.463 68 HE3 NLE 8 HE3 NLE 8 16.140 3.143 -3.751 69 H ARG 9 H ARG 9 12.640 0.633 -2.070 70 HA ARG 9 HA ARG 9 11.616 -2.177 -2.314 71 HB2 ARG 9 HB2 ARG 9 13.401 -1.158 -0.129 72 HB3 ARG 9 HB3 ARG 9 12.982 -2.635 -0.337 73 HG2 ARG 9 HG2 ARG 9 14.188 -2.398 -2.727 74 HG3 ARG 9 HG3 ARG 9 14.753 -1.070 -2.254 75 HD2 ARG 9 HD2 ARG 9 15.470 -3.662 -0.879 76 HD3 ARG 9 HD3 ARG 9 16.407 -2.775 -1.713 77 HE ARG 9 HE ARG 9 16.020 -0.892 0.032 78 HH11 ARG 9 HH11 ARG 9 16.077 -4.284 0.950 79 HH12 ARG 9 HH12 ARG 9 16.311 -3.891 2.631 80 HH21 ARG 9 HH21 ARG 9 16.134 -0.478 2.131 81 HH22 ARG 9 HH22 ARG 9 16.407 -1.771 3.284 82 H ARG 10 H ARG 10 11.800 0.284 0.259 83 HA ARG 10 HA ARG 10 9.909 -1.070 1.910 84 HB2 ARG 10 HB2 ARG 10 10.434 0.692 3.458 85 HB3 ARG 10 HB3 ARG 10 11.746 0.265 2.755 86 HG2 ARG 10 HG2 ARG 10 10.985 2.420 1.137 87 HG3 ARG 10 HG3 ARG 10 10.259 2.859 2.387 88 HD2 ARG 10 HD2 ARG 10 13.252 2.408 2.380 89 HD3 ARG 10 HD3 ARG 10 12.552 3.783 2.354 90 HE ARG 10 HE ARG 10 11.503 3.206 4.614 91 HH11 ARG 10 HH11 ARG 10 14.620 1.754 3.696 92 HH12 ARG 10 HH12 ARG 10 15.096 1.644 5.368 93 HH21 ARG 10 HH21 ARG 10 12.227 2.977 6.677 94 HH22 ARG 10 HH22 ARG 10 13.794 2.294 6.989 95 H GLU 11 H GLU 11 9.420 1.907 -0.008 96 HA GLU 11 HA GLU 11 6.543 1.977 0.704 97 HB2 GLU 11 HB2 GLU 11 8.121 3.840 -1.061 98 HB3 GLU 11 HB3 GLU 11 6.612 3.974 -0.905 99 HG2 GLU 11 HG2 GLU 11 6.733 4.404 1.518 100 HG3 GLU 11 HG3 GLU 11 8.106 3.775 1.715 101 H GLY 12 H GLY 12 8.609 1.064 -2.045 102 HA2 GLY 12 HA2 GLY 12 6.663 0.471 -3.999 103 HA3 GLY 12 HA3 GLY 12 8.178 -0.411 -3.761 104 H ALA 13 H ALA 13 7.811 -1.671 -1.305 105 HA ALA 13 HA ALA 13 6.013 -3.819 -1.852 106 HB1 ALA 13 HB1 ALA 13 8.036 -4.056 -0.489 107 HB2 ALA 13 HB2 ALA 13 7.361 -2.972 0.748 108 HB3 ALA 13 HB3 ALA 13 6.604 -4.549 0.430 109 H NLE 14 H NLE 14 5.668 -1.059 0.453 110 HA NLE 14 HA NLE 14 3.118 -1.797 1.454 111 HB2 NLE 14 HB2 NLE 14 4.460 0.909 1.197 112 HB3 NLE 14 HB3 NLE 14 2.890 0.678 1.977 113 HG2 NLE 14 HG2 NLE 14 3.889 -0.979 3.534 114 HG3 NLE 14 HG3 NLE 14 5.480 -0.680 2.846 115 HD2 NLE 14 HD2 NLE 14 3.730 1.383 4.261 116 HD3 NLE 14 HD3 NLE 14 5.096 0.523 4.977 117 HE1 NLE 14 HE1 NLE 14 6.632 1.596 3.328 118 HE2 NLE 14 HE2 NLE 14 5.256 2.525 2.681 119 HE3 NLE 14 HE3 NLE 14 5.787 2.769 4.351 120 H ASP 15 H ASP 15 3.937 0.022 -1.505 121 HA ASP 15 HA ASP 15 1.308 0.826 -2.209 122 HB2 ASP 15 HB2 ASP 15 3.610 1.507 -3.260 123 HB3 ASP 15 HB3 ASP 15 3.656 0.207 -4.033 124 H PHE 16 H PHE 16 2.667 -2.399 -2.377 125 HA PHE 16 HA PHE 16 0.205 -3.260 -3.843 126 HB2 PHE 16 HB2 PHE 16 1.392 -5.040 -4.826 127 HB3 PHE 16 HB3 PHE 16 2.059 -3.689 -5.237 128 HD1 PHE 16 HD1 PHE 16 2.510 -6.375 -2.599 129 HD2 PHE 16 HD2 PHE 16 4.387 -3.552 -5.274 130 HE1 PHE 16 HE1 PHE 16 4.734 -7.334 -2.059 131 HE2 PHE 16 HE2 PHE 16 6.604 -4.537 -4.758 132 HZ PHE 16 HZ PHE 16 6.784 -6.432 -3.149 133 H TRP 17 H TRP 17 1.832 -3.532 -0.790 134 HA TRP 17 HA TRP 17 0.114 -5.678 0.202 135 HB2 TRP 17 HB2 TRP 17 2.093 -4.777 1.498 136 HB3 TRP 17 HB3 TRP 17 1.514 -3.348 1.551 137 HD1 TRP 17 HD1 TRP 17 0.232 -2.659 3.621 138 HE1 TRP 17 HE1 TRP 17 -0.932 -3.829 5.586 139 HE3 TRP 17 HE3 TRP 17 0.599 -7.514 2.010 140 HZ2 TRP 17 HZ2 TRP 17 -1.593 -6.523 6.375 141 HZ3 TRP 17 HZ3 TRP 17 -0.295 -9.366 3.405 142 HH2 TRP 17 HH2 TRP 17 -1.360 -8.886 5.598 143 H SER 18 H SER 18 -0.148 -2.077 0.310 144 HA SER 18 HA SER 18 -2.751 -2.021 1.455 145 HB2 SER 18 HB2 SER 18 -2.603 0.403 0.946 146 HB3 SER 18 HB3 SER 18 -1.274 -0.101 1.551 147 HG SER 18 HG SER 18 -0.266 -0.061 -0.390 148 H ALA 19 H ALA 19 -1.876 -2.638 -1.851 149 HA ALA 19 HA ALA 19 -4.334 -2.004 -3.148 150 HB1 ALA 19 HB1 ALA 19 -2.191 -2.473 -4.300 151 HB2 ALA 19 HB2 ALA 19 -2.292 -4.176 -3.787 152 HB3 ALA 19 HB3 ALA 19 -3.500 -3.508 -4.899 153 H GLY 20 H GLY 20 -3.657 -4.535 -0.870 154 HA2 GLY 20 HA2 GLY 20 -6.403 -5.667 -1.298 155 HA3 GLY 20 HA3 GLY 20 -5.005 -6.734 -1.159 156 H ABA 21 H ABU 21 -3.863 -4.820 0.930 157 HA ABA 21 HA ABU 21 -3.557 -4.898 3.146 158 HB3 ABA 21 HB3 ABU 21 -6.361 -3.758 3.125 159 HB2 ABA 21 HB2 ABU 21 -4.920 -2.893 2.582 160 HG1 ABA 21 HG1 ABU 21 -5.457 -2.271 4.882 161 HG3 ABA 21 HG3 ABU 21 -3.909 -3.139 4.837 162 HG2 ABA 21 HG2 ABU 21 -5.383 -3.965 5.399 163 H TYR 22 H TYR 22 -3.264 -6.935 3.852 164 HA TYR 22 HA TYR 22 -3.564 -8.933 4.817 165 HB2 TYR 22 HB2 TYR 22 -6.346 -8.371 5.688 166 HB3 TYR 22 HB3 TYR 22 -5.410 -9.500 6.237 167 HD1 TYR 22 HD1 TYR 22 -3.253 -8.956 7.514 168 HD2 TYR 22 HD2 TYR 22 -6.355 -6.068 6.683 169 HE1 TYR 22 HE1 TYR 22 -2.453 -7.540 9.411 170 HE2 TYR 22 HE2 TYR 22 -5.559 -4.660 8.579 171 HH TYR 22 HH TYR 22 -4.052 -4.453 10.295 172 H ALA 23 H ALA 23 -4.333 -8.346 1.988 173 HA ALA 23 HA ALA 23 -5.396 -9.203 0.176 174 HB1 ALA 23 HB1 ALA 23 -5.087 -11.598 -0.165 175 HB2 ALA 23 HB2 ALA 23 -3.659 -10.889 0.611 176 HB3 ALA 23 HB3 ALA 23 -4.813 -11.840 1.574 177 H ARG 24 H ARG 24 -7.154 -8.156 1.825 178 HA ARG 24 HA ARG 24 -9.549 -9.943 2.089 179 HB2 ARG 24 HB2 ARG 24 -8.387 -9.341 4.167 180 HB3 ARG 24 HB3 ARG 24 -8.299 -7.792 3.824 181 HG2 ARG 24 HG2 ARG 24 -10.015 -8.004 5.477 182 HG3 ARG 24 HG3 ARG 24 -10.593 -7.368 4.224 183 HD2 ARG 24 HD2 ARG 24 -11.491 -9.827 3.608 184 HD3 ARG 24 HD3 ARG 24 -10.942 -10.306 4.957 185 HE ARG 24 HE ARG 24 -12.706 -9.327 6.100 186 HH11 ARG 24 HH11 ARG 24 -12.488 -7.682 2.995 187 HH12 ARG 24 HH12 ARG 24 -13.977 -6.800 3.263 188 HH21 ARG 24 HH21 ARG 24 -14.584 -8.111 6.368 189 HH22 ARG 24 HH22 ARG 24 -15.083 -7.027 5.094 190 H GLY 25 H GLY 25 -8.540 -7.746 0.019 191 HA2 GLY 25 HA2 GLY 25 -9.744 -6.580 -1.593 192 HA3 GLY 25 HA3 GLY 25 -11.233 -6.830 -0.678 193 H VAL 26 H VAL 26 -8.457 -5.430 0.921 194 HA VAL 26 HA VAL 26 -8.308 -3.569 2.184 195 HB VAL 26 HB VAL 26 -7.068 -3.031 0.309 196 HG11 VAL 26 HG11 VAL 26 -9.484 -1.718 -0.977 197 HG12 VAL 26 HG12 VAL 26 -7.802 -1.574 -1.524 198 HG13 VAL 26 HG13 VAL 26 -8.602 -3.146 -1.556 199 HG21 VAL 26 HG21 VAL 26 -8.541 -0.517 1.139 200 HG22 VAL 26 HG22 VAL 26 -7.307 -1.349 2.119 201 HG23 VAL 26 HG23 VAL 26 -6.882 -0.659 0.547 202 HA PRO 27 HA PRO 27 -12.752 -3.565 3.091 203 HB2 PRO 27 HB2 PRO 27 -11.912 -2.536 5.752 204 HB3 PRO 27 HB3 PRO 27 -12.970 -3.494 5.446 205 HG2 PRO 27 HG2 PRO 27 -10.744 -4.856 5.890 206 HG3 PRO 27 HG3 PRO 27 -11.618 -5.332 4.749 207 HD2 PRO 27 HD2 PRO 27 -9.100 -3.872 4.159 208 HD3 PRO 27 HD3 PRO 27 -9.741 -5.008 3.416 209 H LEU 28 H LEU 28 -10.884 -0.591 3.905 210 HA LEU 28 HA LEU 28 -13.158 1.124 3.929 211 HB2 LEU 28 HB2 LEU 28 -11.581 2.874 4.142 212 HB3 LEU 28 HB3 LEU 28 -11.258 1.717 5.179 213 HG LEU 28 HG LEU 28 -9.270 2.790 4.308 214 HD11 LEU 28 HD11 LEU 28 -7.876 0.897 3.966 215 HD12 LEU 28 HD12 LEU 28 -9.213 -0.104 3.405 216 HD13 LEU 28 HD13 LEU 28 -9.142 0.430 5.109 217 HD21 LEU 28 HD21 LEU 28 -10.022 3.209 1.976 218 HD22 LEU 28 HD22 LEU 28 -9.769 1.485 1.620 219 HD23 LEU 28 HD23 LEU 28 -8.403 2.500 2.099 220 H SER 29 H SER 29 -11.760 -0.275 1.211 221 HA SER 29 HA SER 29 -13.292 1.540 -0.595 222 HB2 SER 29 HB2 SER 29 -10.536 0.495 -1.305 223 HB3 SER 29 HB3 SER 29 -11.496 1.182 -2.310 224 HG SER 29 HG SER 29 -10.032 2.656 -1.336 225 H GLU 30 H GLU 30 -13.362 -1.439 0.647 226 HA GLU 30 HA GLU 30 -13.518 -3.238 -1.554 227 HB2 GLU 30 HB2 GLU 30 -13.639 -3.543 1.133 228 HB3 GLU 30 HB3 GLU 30 -15.166 -3.402 0.960 229 HG2 GLU 30 HG2 GLU 30 -14.849 -5.393 -0.842 230 HG3 GLU 30 HG3 GLU 30 -13.453 -5.582 -0.266 231 HA PRO 31 HA PRO 31 -17.240 -1.863 -3.597 232 HB2 PRO 31 HB2 PRO 31 -18.049 -4.634 -4.239 233 HB3 PRO 31 HB3 PRO 31 -18.009 -3.464 -5.119 234 HG2 PRO 31 HG2 PRO 31 -15.726 -4.791 -5.370 235 HG3 PRO 31 HG3 PRO 31 -15.647 -3.278 -5.376 236 HD2 PRO 31 HD2 PRO 31 -14.800 -4.779 -2.947 237 HD3 PRO 31 HD3 PRO 31 -14.202 -3.556 -3.578 238 HA PRO 32 HA PRO 32 -20.739 -3.756 -0.825 239 HB2 PRO 32 HB2 PRO 32 -19.528 -4.929 1.569 240 HB3 PRO 32 HB3 PRO 32 -20.669 -5.419 0.798 241 HG2 PRO 32 HG2 PRO 32 -18.513 -6.797 0.086 242 HG3 PRO 32 HG3 PRO 32 -19.467 -6.419 -1.014 243 HD2 PRO 32 HD2 PRO 32 -16.967 -4.780 -0.627 244 HD3 PRO 32 HD3 PRO 32 -17.487 -5.392 -1.865 245 H GLN 33 H GLN 33 -17.859 -2.119 0.390 246 HA GLN 33 HA GLN 33 -19.481 -0.351 2.173 247 HB2 GLN 33 HB2 GLN 33 -16.497 -0.545 1.903 248 HB3 GLN 33 HB3 GLN 33 -17.189 0.614 2.704 249 HG2 GLN 33 HG2 GLN 33 -16.980 -0.832 4.497 250 HG3 GLN 33 HG3 GLN 33 -18.436 -1.080 4.167 251 HE21 GLN 33 HE21 GLN 33 -15.223 -2.442 3.301 252 HE22 GLN 33 HE22 GLN 33 -15.770 -4.111 3.158 253 H ALA 34 H ALA 34 -18.391 -0.470 -1.045 254 HA ALA 34 HA ALA 34 -18.073 1.022 -2.711 255 HB1 ALA 34 HB1 ALA 34 -20.528 2.231 -1.387 256 HB2 ALA 34 HB2 ALA 34 -20.063 2.379 -3.097 257 HB3 ALA 34 HB3 ALA 34 -20.503 0.796 -2.438 258 H LEU 35 H LEU 35 -16.219 1.668 -0.836 259 HA LEU 35 HA LEU 35 -14.704 3.203 -0.180 260 HB2 LEU 35 HB2 LEU 35 -15.697 4.932 -2.403 261 HB3 LEU 35 HB3 LEU 35 -14.387 5.242 -1.564 262 HG LEU 35 HG LEU 35 -13.311 3.105 -2.286 263 HD11 LEU 35 HD11 LEU 35 -14.164 2.106 -4.438 264 HD12 LEU 35 HD12 LEU 35 -15.696 2.971 -4.187 265 HD13 LEU 35 HD13 LEU 35 -15.155 1.712 -3.047 266 HD21 LEU 35 HD21 LEU 35 -12.757 3.986 -4.517 267 HD22 LEU 35 HD22 LEU 35 -12.841 5.287 -3.325 268 HD23 LEU 35 HD23 LEU 35 -14.184 5.047 -4.466 269 HN1 NH2 36 H1 NHE 36 -17.636 3.469 0.946 270 HN2 NH2 36 H2 NHE 36 -17.511 4.986 1.815 Start of MODEL 7 1 H1 ARG 1 H1 ARG 1 7.883 12.006 -4.716 2 H2 ARG 1 H2 ARG 1 7.414 10.638 -3.956 3 H3 ARG 1 H3 ARG 1 8.359 10.551 -5.290 4 HA ARG 1 HA ARG 1 9.183 11.734 -2.709 5 HB2 ARG 1 HB2 ARG 1 9.918 9.063 -3.877 6 HB3 ARG 1 HB3 ARG 1 10.915 9.742 -2.905 7 HG2 ARG 1 HG2 ARG 1 8.160 8.960 -1.995 8 HG3 ARG 1 HG3 ARG 1 9.462 8.158 -1.730 9 HD2 ARG 1 HD2 ARG 1 10.318 10.505 -0.600 10 HD3 ARG 1 HD3 ARG 1 8.846 10.899 -0.595 11 HE ARG 1 HE ARG 1 8.782 8.291 0.490 12 HH11 ARG 1 HH11 ARG 1 10.070 11.423 1.439 13 HH12 ARG 1 HH12 ARG 1 10.266 10.925 3.097 14 HH21 ARG 1 HH21 ARG 1 9.273 7.682 2.498 15 HH22 ARG 1 HH22 ARG 1 9.752 8.858 3.715 16 H ASP 2 H ASP 2 10.470 13.430 -3.092 17 HA ASP 2 HA ASP 2 12.042 13.759 -5.484 18 HB2 ASP 2 HB2 ASP 2 11.192 15.620 -3.944 19 HB3 ASP 2 HB3 ASP 2 12.106 15.214 -2.821 20 HA PRO 3 HA PRO 3 15.923 12.621 -3.011 21 HB2 PRO 3 HB2 PRO 3 15.999 11.596 -0.558 22 HB3 PRO 3 HB3 PRO 3 15.724 13.075 -0.767 23 HG2 PRO 3 HG2 PRO 3 13.481 11.230 -0.102 24 HG3 PRO 3 HG3 PRO 3 13.744 12.556 0.449 25 HD2 PRO 3 HD2 PRO 3 12.076 12.701 -1.675 26 HD3 PRO 3 HD3 PRO 3 13.032 13.857 -1.363 27 H LEU 4 H LEU 4 13.372 10.196 -2.590 28 HA LEU 4 HA LEU 4 13.230 7.965 -2.917 29 HB2 LEU 4 HB2 LEU 4 13.584 9.347 -5.338 30 HB3 LEU 4 HB3 LEU 4 14.556 8.229 -5.584 31 HG LEU 4 HG LEU 4 11.674 7.682 -4.723 32 HD11 LEU 4 HD11 LEU 4 11.823 8.750 -6.936 33 HD12 LEU 4 HD12 LEU 4 11.292 7.067 -7.071 34 HD13 LEU 4 HD13 LEU 4 12.970 7.501 -7.471 35 HD21 LEU 4 HD21 LEU 4 13.119 5.763 -4.171 36 HD22 LEU 4 HD22 LEU 4 13.739 5.742 -5.834 37 HD23 LEU 4 HD23 LEU 4 12.027 5.378 -5.508 38 H LEU 5 H LEU 5 15.545 8.378 -1.345 39 HA LEU 5 HA LEU 5 17.815 6.927 -2.343 40 HB2 LEU 5 HB2 LEU 5 17.189 7.529 0.535 41 HB3 LEU 5 HB3 LEU 5 18.559 6.996 0.058 42 HG LEU 5 HG LEU 5 17.460 9.657 -0.939 43 HD11 LEU 5 HD11 LEU 5 17.972 9.667 1.471 44 HD12 LEU 5 HD12 LEU 5 19.121 10.659 0.559 45 HD13 LEU 5 HD13 LEU 5 19.604 9.045 1.131 46 HD21 LEU 5 HD21 LEU 5 19.047 8.742 -2.563 47 HD22 LEU 5 HD22 LEU 5 20.212 8.384 -1.264 48 HD23 LEU 5 HD23 LEU 5 19.802 10.066 -1.676 49 H ASP 6 H ASP 6 15.043 5.837 -0.431 50 HA ASP 6 HA ASP 6 15.772 3.024 -1.050 51 HB2 ASP 6 HB2 ASP 6 16.529 3.868 1.384 52 HB3 ASP 6 HB3 ASP 6 15.071 3.886 1.780 53 H ALA 7 H ALA 7 13.411 5.301 -1.214 54 HA ALA 7 HA ALA 7 11.077 4.149 -0.167 55 HB1 ALA 7 HB1 ALA 7 9.899 5.655 -1.689 56 HB2 ALA 7 HB2 ALA 7 11.273 6.472 -0.923 57 HB3 ALA 7 HB3 ALA 7 11.385 5.927 -2.614 58 H NLE 8 H NLE 8 12.689 3.440 -3.249 59 HA NLE 8 HA NLE 8 10.639 2.051 -4.543 60 HB2 NLE 8 HB2 NLE 8 12.197 1.273 -6.057 61 HB3 NLE 8 HB3 NLE 8 12.826 2.819 -5.539 62 HG2 NLE 8 HG2 NLE 8 13.801 0.054 -4.667 63 HG3 NLE 8 HG3 NLE 8 14.566 1.091 -5.848 64 HD2 NLE 8 HD2 NLE 8 14.344 1.705 -2.872 65 HD3 NLE 8 HD3 NLE 8 15.758 1.078 -3.709 66 HE1 NLE 8 HE1 NLE 8 15.821 3.149 -5.125 67 HE2 NLE 8 HE2 NLE 8 14.493 3.811 -4.140 68 HE3 NLE 8 HE3 NLE 8 16.059 3.453 -3.395 69 H ARG 9 H ARG 9 12.511 0.928 -1.831 70 HA ARG 9 HA ARG 9 11.509 -1.883 -2.144 71 HB2 ARG 9 HB2 ARG 9 13.284 -0.903 0.068 72 HB3 ARG 9 HB3 ARG 9 12.862 -2.375 -0.164 73 HG2 ARG 9 HG2 ARG 9 14.067 -2.104 -2.552 74 HG3 ARG 9 HG3 ARG 9 14.637 -0.788 -2.060 75 HD2 ARG 9 HD2 ARG 9 15.346 -3.403 -0.720 76 HD3 ARG 9 HD3 ARG 9 16.282 -2.513 -1.547 77 HE ARG 9 HE ARG 9 15.870 -0.644 0.233 78 HH11 ARG 9 HH11 ARG 9 16.060 -4.051 1.063 79 HH12 ARG 9 HH12 ARG 9 16.318 -3.694 2.750 80 HH21 ARG 9 HH21 ARG 9 16.013 -0.276 2.334 81 HH22 ARG 9 HH22 ARG 9 16.355 -1.585 3.453 82 H ARG 10 H ARG 10 11.641 0.550 0.469 83 HA ARG 10 HA ARG 10 9.736 -0.854 2.071 84 HB2 ARG 10 HB2 ARG 10 10.196 0.899 3.653 85 HB3 ARG 10 HB3 ARG 10 11.531 0.478 2.984 86 HG2 ARG 10 HG2 ARG 10 10.792 2.656 1.369 87 HG3 ARG 10 HG3 ARG 10 10.064 3.082 2.622 88 HD2 ARG 10 HD2 ARG 10 13.052 2.595 2.629 89 HD3 ARG 10 HD3 ARG 10 12.373 3.981 2.599 90 HE ARG 10 HE ARG 10 11.291 3.404 4.849 91 HH11 ARG 10 HH11 ARG 10 14.413 1.945 3.958 92 HH12 ARG 10 HH12 ARG 10 14.879 1.847 5.633 93 HH21 ARG 10 HH21 ARG 10 12.004 3.191 6.919 94 HH22 ARG 10 HH22 ARG 10 13.570 2.509 7.242 95 H GLU 11 H GLU 11 9.249 2.166 0.216 96 HA GLU 11 HA GLU 11 6.360 2.181 0.864 97 HB2 GLU 11 HB2 GLU 11 7.942 4.081 -0.859 98 HB3 GLU 11 HB3 GLU 11 6.432 4.197 -0.727 99 HG2 GLU 11 HG2 GLU 11 6.496 4.605 1.697 100 HG3 GLU 11 HG3 GLU 11 7.868 3.978 1.922 101 H GLY 12 H GLY 12 8.472 1.318 -1.865 102 HA2 GLY 12 HA2 GLY 12 6.547 0.690 -3.834 103 HA3 GLY 12 HA3 GLY 12 8.087 -0.148 -3.596 104 H ALA 13 H ALA 13 7.729 -1.422 -1.129 105 HA ALA 13 HA ALA 13 5.991 -3.616 -1.712 106 HB1 ALA 13 HB1 ALA 13 8.019 -3.834 -0.356 107 HB2 ALA 13 HB2 ALA 13 7.323 -2.779 0.897 108 HB3 ALA 13 HB3 ALA 13 6.597 -4.366 0.558 109 H NLE 14 H NLE 14 5.572 -0.873 0.604 110 HA NLE 14 HA NLE 14 3.038 -1.684 1.589 111 HB2 NLE 14 HB2 NLE 14 4.307 1.056 1.338 112 HB3 NLE 14 HB3 NLE 14 2.730 0.789 2.096 113 HG2 NLE 14 HG2 NLE 14 3.740 -0.836 3.674 114 HG3 NLE 14 HG3 NLE 14 5.335 -0.518 3.003 115 HD2 NLE 14 HD2 NLE 14 3.543 1.530 4.386 116 HD3 NLE 14 HD3 NLE 14 4.902 0.684 5.126 117 HE1 NLE 14 HE1 NLE 14 6.456 1.759 3.491 118 HE2 NLE 14 HE2 NLE 14 5.080 2.681 2.829 119 HE3 NLE 14 HE3 NLE 14 5.594 2.928 4.505 120 H ASP 15 H ASP 15 3.823 0.135 -1.375 121 HA ASP 15 HA ASP 15 1.162 0.798 -2.133 122 HB2 ASP 15 HB2 ASP 15 3.450 1.589 -3.143 123 HB3 ASP 15 HB3 ASP 15 3.567 0.293 -3.917 124 H PHE 16 H PHE 16 2.645 -2.359 -2.162 125 HA PHE 16 HA PHE 16 0.267 -3.353 -3.674 126 HB2 PHE 16 HB2 PHE 16 1.535 -5.091 -4.619 127 HB3 PHE 16 HB3 PHE 16 2.159 -3.721 -5.039 128 HD1 PHE 16 HD1 PHE 16 2.681 -6.325 -2.329 129 HD2 PHE 16 HD2 PHE 16 4.480 -3.537 -5.088 130 HE1 PHE 16 HE1 PHE 16 4.927 -7.200 -1.755 131 HE2 PHE 16 HE2 PHE 16 6.721 -4.444 -4.540 132 HZ PHE 16 HZ PHE 16 6.951 -6.278 -2.872 133 H TRP 17 H TRP 17 1.869 -3.515 -0.598 134 HA TRP 17 HA TRP 17 0.218 -5.698 0.423 135 HB2 TRP 17 HB2 TRP 17 2.101 -4.671 1.753 136 HB3 TRP 17 HB3 TRP 17 1.477 -3.258 1.715 137 HD1 TRP 17 HD1 TRP 17 0.075 -2.501 3.679 138 HE1 TRP 17 HE1 TRP 17 -1.146 -3.602 5.651 139 HE3 TRP 17 HE3 TRP 17 0.689 -7.423 2.371 140 HZ2 TRP 17 HZ2 TRP 17 -1.762 -6.268 6.556 141 HZ3 TRP 17 HZ3 TRP 17 -0.218 -9.224 3.824 142 HH2 TRP 17 HH2 TRP 17 -1.413 -8.662 5.928 143 H SER 18 H SER 18 -0.214 -2.116 0.368 144 HA SER 18 HA SER 18 -2.854 -2.128 1.421 145 HB2 SER 18 HB2 SER 18 -2.818 0.266 0.755 146 HB3 SER 18 HB3 SER 18 -1.499 -0.127 1.452 147 HG SER 18 HG SER 18 -0.390 -0.137 -0.422 148 H ALA 19 H ALA 19 -1.837 -2.853 -1.840 149 HA ALA 19 HA ALA 19 -4.307 -2.425 -3.203 150 HB1 ALA 19 HB1 ALA 19 -2.112 -2.772 -4.302 151 HB2 ALA 19 HB2 ALA 19 -2.110 -4.466 -3.752 152 HB3 ALA 19 HB3 ALA 19 -3.339 -3.903 -4.900 153 H GLY 20 H GLY 20 -3.539 -4.809 -0.814 154 HA2 GLY 20 HA2 GLY 20 -6.152 -6.199 -1.331 155 HA3 GLY 20 HA3 GLY 20 -4.677 -7.117 -1.030 156 H ABA 21 H ABU 21 -3.808 -5.053 0.998 157 HA ABA 21 HA ABU 21 -3.660 -4.968 3.232 158 HB3 ABA 21 HB3 ABU 21 -6.522 -4.013 2.954 159 HB2 ABA 21 HB2 ABU 21 -5.103 -3.093 2.443 160 HG1 ABA 21 HG1 ABU 21 -5.826 -2.361 4.657 161 HG3 ABA 21 HG3 ABU 21 -4.229 -3.127 4.766 162 HG2 ABA 21 HG2 ABU 21 -5.682 -4.010 5.293 163 H TYR 22 H TYR 22 -3.304 -6.998 3.998 164 HA TYR 22 HA TYR 22 -3.564 -8.952 5.058 165 HB2 TYR 22 HB2 TYR 22 -6.372 -8.411 5.861 166 HB3 TYR 22 HB3 TYR 22 -5.419 -9.487 6.481 167 HD1 TYR 22 HD1 TYR 22 -3.316 -8.841 7.778 168 HD2 TYR 22 HD2 TYR 22 -6.418 -6.042 6.705 169 HE1 TYR 22 HE1 TYR 22 -2.571 -7.311 9.603 170 HE2 TYR 22 HE2 TYR 22 -5.677 -4.518 8.530 171 HH TYR 22 HH TYR 22 -4.215 -4.193 10.265 172 H ALA 23 H ALA 23 -4.280 -8.575 2.192 173 HA ALA 23 HA ALA 23 -5.275 -9.579 0.417 174 HB1 ALA 23 HB1 ALA 23 -4.911 -11.987 0.255 175 HB2 ALA 23 HB2 ALA 23 -3.519 -11.194 1.013 176 HB3 ALA 23 HB3 ALA 23 -4.679 -12.099 2.013 177 H ARG 24 H ARG 24 -7.101 -8.456 1.929 178 HA ARG 24 HA ARG 24 -9.472 -10.266 2.243 179 HB2 ARG 24 HB2 ARG 24 -8.428 -9.554 4.319 180 HB3 ARG 24 HB3 ARG 24 -8.276 -8.030 3.894 181 HG2 ARG 24 HG2 ARG 24 -10.044 -8.095 5.488 182 HG3 ARG 24 HG3 ARG 24 -10.563 -7.514 4.177 183 HD2 ARG 24 HD2 ARG 24 -11.531 -9.972 3.687 184 HD3 ARG 24 HD3 ARG 24 -11.044 -10.382 5.086 185 HE ARG 24 HE ARG 24 -12.805 -9.268 6.099 186 HH11 ARG 24 HH11 ARG 24 -12.430 -7.829 2.910 187 HH12 ARG 24 HH12 ARG 24 -13.891 -6.874 3.077 188 HH21 ARG 24 HH21 ARG 24 -14.638 -7.964 6.235 189 HH22 ARG 24 HH22 ARG 24 -15.053 -6.941 4.883 190 H GLY 25 H GLY 25 -8.471 -8.334 -0.003 191 HA2 GLY 25 HA2 GLY 25 -9.679 -7.388 -1.748 192 HA3 GLY 25 HA3 GLY 25 -11.162 -7.504 -0.798 193 H VAL 26 H VAL 26 -8.325 -5.881 0.496 194 HA VAL 26 HA VAL 26 -8.104 -3.838 1.428 195 HB VAL 26 HB VAL 26 -7.049 -3.524 -0.602 196 HG11 VAL 26 HG11 VAL 26 -9.633 -2.554 -1.861 197 HG12 VAL 26 HG12 VAL 26 -8.009 -2.383 -2.562 198 HG13 VAL 26 HG13 VAL 26 -8.687 -3.989 -2.303 199 HG21 VAL 26 HG21 VAL 26 -8.598 -0.988 0.007 200 HG22 VAL 26 HG22 VAL 26 -7.193 -1.599 0.921 201 HG23 VAL 26 HG23 VAL 26 -7.021 -1.118 -0.771 202 HA PRO 27 HA PRO 27 -12.518 -3.679 2.622 203 HB2 PRO 27 HB2 PRO 27 -11.465 -2.492 5.136 204 HB3 PRO 27 HB3 PRO 27 -12.568 -3.431 4.973 205 HG2 PRO 27 HG2 PRO 27 -10.364 -4.836 5.391 206 HG3 PRO 27 HG3 PRO 27 -11.319 -5.362 4.338 207 HD2 PRO 27 HD2 PRO 27 -8.799 -4.014 3.502 208 HD3 PRO 27 HD3 PRO 27 -9.482 -5.205 2.907 209 H LEU 28 H LEU 28 -10.426 -0.775 3.069 210 HA LEU 28 HA LEU 28 -12.607 1.073 3.051 211 HB2 LEU 28 HB2 LEU 28 -10.936 2.735 3.099 212 HB3 LEU 28 HB3 LEU 28 -10.626 1.632 4.196 213 HG LEU 28 HG LEU 28 -8.622 2.535 3.202 214 HD11 LEU 28 HD11 LEU 28 -7.346 0.555 2.882 215 HD12 LEU 28 HD12 LEU 28 -8.762 -0.391 2.421 216 HD13 LEU 28 HD13 LEU 28 -8.586 0.205 4.094 217 HD21 LEU 28 HD21 LEU 28 -9.441 2.907 0.887 218 HD22 LEU 28 HD22 LEU 28 -9.312 1.161 0.592 219 HD23 LEU 28 HD23 LEU 28 -7.864 2.103 0.970 220 H SER 29 H SER 29 -11.430 -0.634 0.421 221 HA SER 29 HA SER 29 -12.863 1.166 -1.473 222 HB2 SER 29 HB2 SER 29 -10.283 -0.230 -2.209 223 HB3 SER 29 HB3 SER 29 -11.224 0.455 -3.229 224 HG SER 29 HG SER 29 -9.571 1.856 -2.474 225 H GLU 30 H GLU 30 -13.090 -1.729 0.021 226 HA GLU 30 HA GLU 30 -13.607 -3.620 -2.042 227 HB2 GLU 30 HB2 GLU 30 -13.461 -3.775 0.665 228 HB3 GLU 30 HB3 GLU 30 -14.985 -3.555 0.632 229 HG2 GLU 30 HG2 GLU 30 -14.968 -5.637 -1.084 230 HG3 GLU 30 HG3 GLU 30 -13.530 -5.883 -0.657 231 HA PRO 31 HA PRO 31 -17.449 -2.091 -3.738 232 HB2 PRO 31 HB2 PRO 31 -18.475 -4.832 -4.152 233 HB3 PRO 31 HB3 PRO 31 -18.465 -3.708 -5.089 234 HG2 PRO 31 HG2 PRO 31 -16.307 -5.183 -5.518 235 HG3 PRO 31 HG3 PRO 31 -16.141 -3.682 -5.609 236 HD2 PRO 31 HD2 PRO 31 -15.120 -5.121 -3.209 237 HD3 PRO 31 HD3 PRO 31 -14.524 -3.970 -3.965 238 HA PRO 32 HA PRO 32 -20.718 -3.696 -0.528 239 HB2 PRO 32 HB2 PRO 32 -19.301 -4.801 1.786 240 HB3 PRO 32 HB3 PRO 32 -20.538 -5.272 1.174 241 HG2 PRO 32 HG2 PRO 32 -18.540 -6.787 0.297 242 HG3 PRO 32 HG3 PRO 32 -19.593 -6.412 -0.709 243 HD2 PRO 32 HD2 PRO 32 -16.997 -4.884 -0.680 244 HD3 PRO 32 HD3 PRO 32 -17.676 -5.524 -1.820 245 H GLN 33 H GLN 33 -17.684 -2.096 0.249 246 HA GLN 33 HA GLN 33 -19.037 -0.190 2.113 247 HB2 GLN 33 HB2 GLN 33 -16.111 -0.538 1.544 248 HB3 GLN 33 HB3 GLN 33 -16.655 0.694 2.345 249 HG2 GLN 33 HG2 GLN 33 -16.309 -0.677 4.177 250 HG3 GLN 33 HG3 GLN 33 -17.807 -0.827 4.033 251 HE21 GLN 33 HE21 GLN 33 -14.839 -2.464 2.855 252 HE22 GLN 33 HE22 GLN 33 -15.498 -4.098 2.891 253 H ALA 34 H ALA 34 -18.621 -0.507 -1.177 254 HA ALA 34 HA ALA 34 -18.462 0.853 -2.967 255 HB1 ALA 34 HB1 ALA 34 -20.260 2.502 -3.019 256 HB2 ALA 34 HB2 ALA 34 -20.778 1.040 -2.162 257 HB3 ALA 34 HB3 ALA 34 -20.345 2.502 -1.243 258 H LEU 35 H LEU 35 -16.184 1.274 -1.461 259 HA LEU 35 HA LEU 35 -14.423 2.602 -1.050 260 HB2 LEU 35 HB2 LEU 35 -15.197 4.354 -3.340 261 HB3 LEU 35 HB3 LEU 35 -13.771 4.235 -2.692 262 HG LEU 35 HG LEU 35 -13.974 1.622 -3.316 263 HD11 LEU 35 HD11 LEU 35 -14.999 1.370 -5.550 264 HD12 LEU 35 HD12 LEU 35 -15.644 3.023 -5.449 265 HD13 LEU 35 HD13 LEU 35 -16.223 1.760 -4.344 266 HD21 LEU 35 HD21 LEU 35 -12.739 2.139 -5.383 267 HD22 LEU 35 HD22 LEU 35 -12.189 3.144 -4.036 268 HD23 LEU 35 HD23 LEU 35 -13.260 3.838 -5.275 269 HN1 NH2 36 H1 NHE 36 -16.999 3.402 0.391 270 HN2 NH2 36 H2 NHE 36 -16.613 5.008 0.980 Start of MODEL 8 1 H1 ARG 1 H1 ARG 1 8.140 11.709 -4.741 2 H2 ARG 1 H2 ARG 1 7.717 10.267 -4.099 3 H3 ARG 1 H3 ARG 1 8.764 10.328 -5.354 4 HA ARG 1 HA ARG 1 9.298 11.412 -2.657 5 HB2 ARG 1 HB2 ARG 1 10.220 8.835 -3.885 6 HB3 ARG 1 HB3 ARG 1 11.203 9.528 -2.910 7 HG2 ARG 1 HG2 ARG 1 8.495 8.626 -1.976 8 HG3 ARG 1 HG3 ARG 1 9.832 7.879 -1.738 9 HD2 ARG 1 HD2 ARG 1 10.600 10.251 -0.592 10 HD3 ARG 1 HD3 ARG 1 9.113 10.578 -0.560 11 HE ARG 1 HE ARG 1 9.140 7.975 0.491 12 HH11 ARG 1 HH11 ARG 1 10.407 11.104 1.473 13 HH12 ARG 1 HH12 ARG 1 10.675 10.568 3.108 14 HH21 ARG 1 HH21 ARG 1 9.699 7.327 2.463 15 HH22 ARG 1 HH22 ARG 1 10.211 8.478 3.694 16 H ASP 2 H ASP 2 10.589 13.132 -2.748 17 HA ASP 2 HA ASP 2 12.300 13.756 -4.981 18 HB2 ASP 2 HB2 ASP 2 11.322 15.422 -3.305 19 HB3 ASP 2 HB3 ASP 2 12.150 14.894 -2.172 20 HA PRO 3 HA PRO 3 16.036 12.367 -2.412 21 HB2 PRO 3 HB2 PRO 3 15.964 11.062 -0.091 22 HB3 PRO 3 HB3 PRO 3 15.717 12.562 -0.149 23 HG2 PRO 3 HG2 PRO 3 13.426 10.688 0.187 24 HG3 PRO 3 HG3 PRO 3 13.665 11.949 0.887 25 HD2 PRO 3 HD2 PRO 3 12.122 12.331 -1.302 26 HD3 PRO 3 HD3 PRO 3 13.070 13.436 -0.821 27 H LEU 4 H LEU 4 13.532 9.836 -2.268 28 HA LEU 4 HA LEU 4 13.488 7.632 -2.750 29 HB2 LEU 4 HB2 LEU 4 13.784 9.152 -5.088 30 HB3 LEU 4 HB3 LEU 4 14.831 8.116 -5.378 31 HG LEU 4 HG LEU 4 11.983 7.332 -4.588 32 HD11 LEU 4 HD11 LEU 4 12.075 8.552 -6.724 33 HD12 LEU 4 HD12 LEU 4 11.654 6.851 -6.976 34 HD13 LEU 4 HD13 LEU 4 13.302 7.418 -7.330 35 HD21 LEU 4 HD21 LEU 4 14.180 5.607 -5.801 36 HD22 LEU 4 HD22 LEU 4 12.494 5.111 -5.534 37 HD23 LEU 4 HD23 LEU 4 13.537 5.470 -4.153 38 H LEU 5 H LEU 5 15.800 8.116 -1.149 39 HA LEU 5 HA LEU 5 18.104 6.730 -2.201 40 HB2 LEU 5 HB2 LEU 5 17.523 7.316 0.689 41 HB3 LEU 5 HB3 LEU 5 18.900 6.832 0.171 42 HG LEU 5 HG LEU 5 17.678 9.468 -0.748 43 HD11 LEU 5 HD11 LEU 5 18.308 9.451 1.634 44 HD12 LEU 5 HD12 LEU 5 19.376 10.497 0.687 45 HD13 LEU 5 HD13 LEU 5 19.940 8.891 1.203 46 HD21 LEU 5 HD21 LEU 5 19.208 8.633 -2.464 47 HD22 LEU 5 HD22 LEU 5 20.448 8.288 -1.232 48 HD23 LEU 5 HD23 LEU 5 19.968 9.963 -1.591 49 H ASP 6 H ASP 6 15.357 5.602 -0.290 50 HA ASP 6 HA ASP 6 16.163 2.791 -0.832 51 HB2 ASP 6 HB2 ASP 6 16.855 3.720 1.583 52 HB3 ASP 6 HB3 ASP 6 15.387 3.739 1.953 53 H ALA 7 H ALA 7 13.767 4.989 -1.161 54 HA ALA 7 HA ALA 7 11.430 3.856 -0.096 55 HB1 ALA 7 HB1 ALA 7 10.261 5.270 -1.714 56 HB2 ALA 7 HB2 ALA 7 11.612 6.142 -0.972 57 HB3 ALA 7 HB3 ALA 7 11.758 5.507 -2.629 58 H NLE 8 H NLE 8 13.107 3.025 -3.112 59 HA NLE 8 HA NLE 8 11.104 1.555 -4.382 60 HB2 NLE 8 HB2 NLE 8 12.716 0.706 -5.816 61 HB3 NLE 8 HB3 NLE 8 13.277 2.302 -5.384 62 HG2 NLE 8 HG2 NLE 8 14.330 -0.363 -4.314 63 HG3 NLE 8 HG3 NLE 8 15.085 0.623 -5.548 64 HD2 NLE 8 HD2 NLE 8 14.781 1.402 -2.618 65 HD3 NLE 8 HD3 NLE 8 16.238 0.803 -3.401 66 HE1 NLE 8 HE1 NLE 8 16.233 2.794 -4.922 67 HE2 NLE 8 HE2 NLE 8 14.847 3.443 -4.015 68 HE3 NLE 8 HE3 NLE 8 16.405 3.211 -3.208 69 H ARG 9 H ARG 9 12.915 0.557 -1.579 70 HA ARG 9 HA ARG 9 11.960 -2.277 -1.810 71 HB2 ARG 9 HB2 ARG 9 13.599 -1.161 0.443 72 HB3 ARG 9 HB3 ARG 9 13.211 -2.649 0.266 73 HG2 ARG 9 HG2 ARG 9 14.532 -2.480 -2.071 74 HG3 ARG 9 HG3 ARG 9 15.059 -1.133 -1.619 75 HD2 ARG 9 HD2 ARG 9 15.716 -3.662 -0.099 76 HD3 ARG 9 HD3 ARG 9 16.690 -2.829 -0.946 77 HE ARG 9 HE ARG 9 16.188 -0.844 0.695 78 HH11 ARG 9 HH11 ARG 9 16.483 -4.194 1.702 79 HH12 ARG 9 HH12 ARG 9 16.750 -3.743 3.364 80 HH21 ARG 9 HH21 ARG 9 16.341 -0.361 2.781 81 HH22 ARG 9 HH22 ARG 9 16.732 -1.603 3.958 82 H ARG 10 H ARG 10 11.942 0.216 0.727 83 HA ARG 10 HA ARG 10 9.941 -1.098 2.275 84 HB2 ARG 10 HB2 ARG 10 10.310 0.759 3.784 85 HB3 ARG 10 HB3 ARG 10 11.671 0.253 3.246 86 HG2 ARG 10 HG2 ARG 10 11.077 2.359 1.450 87 HG3 ARG 10 HG3 ARG 10 10.355 2.885 2.664 88 HD2 ARG 10 HD2 ARG 10 13.310 2.210 2.788 89 HD3 ARG 10 HD3 ARG 10 12.741 3.635 2.598 90 HE ARG 10 HE ARG 10 11.483 3.222 4.865 91 HH11 ARG 10 HH11 ARG 10 14.738 1.981 4.169 92 HH12 ARG 10 HH12 ARG 10 15.201 2.154 5.840 93 HH21 ARG 10 HH21 ARG 10 12.189 3.349 6.948 94 HH22 ARG 10 HH22 ARG 10 13.811 2.875 7.355 95 H GLU 11 H GLU 11 9.574 1.865 0.297 96 HA GLU 11 HA GLU 11 6.661 1.919 0.804 97 HB2 GLU 11 HB2 GLU 11 8.336 3.760 -0.894 98 HB3 GLU 11 HB3 GLU 11 6.822 3.893 -0.824 99 HG2 GLU 11 HG2 GLU 11 6.797 4.354 1.593 100 HG3 GLU 11 HG3 GLU 11 8.150 3.719 1.886 101 H GLY 12 H GLY 12 8.883 0.918 -1.782 102 HA2 GLY 12 HA2 GLY 12 7.043 0.241 -3.818 103 HA3 GLY 12 HA3 GLY 12 8.545 -0.622 -3.460 104 H ALA 13 H ALA 13 8.003 -1.726 -0.930 105 HA ALA 13 HA ALA 13 6.224 -3.905 -1.478 106 HB1 ALA 13 HB1 ALA 13 8.182 -4.098 -0.018 107 HB2 ALA 13 HB2 ALA 13 7.458 -2.958 1.139 108 HB3 ALA 13 HB3 ALA 13 6.701 -4.540 0.851 109 H NLE 14 H NLE 14 5.822 -1.050 0.696 110 HA NLE 14 HA NLE 14 3.223 -1.712 1.607 111 HB2 NLE 14 HB2 NLE 14 4.610 0.965 1.318 112 HB3 NLE 14 HB3 NLE 14 3.015 0.775 2.059 113 HG2 NLE 14 HG2 NLE 14 3.935 -0.837 3.696 114 HG3 NLE 14 HG3 NLE 14 5.551 -0.616 3.036 115 HD2 NLE 14 HD2 NLE 14 3.850 1.560 4.334 116 HD3 NLE 14 HD3 NLE 14 5.154 0.666 5.119 117 HE1 NLE 14 HE1 NLE 14 6.781 1.606 3.472 118 HE2 NLE 14 HE2 NLE 14 5.465 2.581 2.768 119 HE3 NLE 14 HE3 NLE 14 5.972 2.850 4.442 120 H ASP 15 H ASP 15 4.177 -0.054 -1.393 121 HA ASP 15 HA ASP 15 1.602 0.764 -2.258 122 HB2 ASP 15 HB2 ASP 15 3.951 1.312 -3.262 123 HB3 ASP 15 HB3 ASP 15 4.009 -0.050 -3.922 124 H PHE 16 H PHE 16 2.886 -2.504 -2.153 125 HA PHE 16 HA PHE 16 0.467 -3.404 -3.668 126 HB2 PHE 16 HB2 PHE 16 1.625 -5.277 -4.443 127 HB3 PHE 16 HB3 PHE 16 2.430 -4.014 -4.871 128 HD1 PHE 16 HD1 PHE 16 2.427 -6.538 -2.043 129 HD2 PHE 16 HD2 PHE 16 4.761 -4.060 -4.696 130 HE1 PHE 16 HE1 PHE 16 4.503 -7.611 -1.224 131 HE2 PHE 16 HE2 PHE 16 6.830 -5.176 -3.910 132 HZ PHE 16 HZ PHE 16 6.709 -6.946 -2.164 133 H TRP 17 H TRP 17 1.938 -3.478 -0.514 134 HA TRP 17 HA TRP 17 0.122 -5.485 0.571 135 HB2 TRP 17 HB2 TRP 17 2.064 -4.478 1.870 136 HB3 TRP 17 HB3 TRP 17 1.467 -3.057 1.806 137 HD1 TRP 17 HD1 TRP 17 0.068 -2.255 3.761 138 HE1 TRP 17 HE1 TRP 17 -1.189 -3.317 5.733 139 HE3 TRP 17 HE3 TRP 17 0.605 -7.195 2.498 140 HZ2 TRP 17 HZ2 TRP 17 -1.871 -5.965 6.647 141 HZ3 TRP 17 HZ3 TRP 17 -0.355 -8.969 3.950 142 HH2 TRP 17 HH2 TRP 17 -1.571 -8.370 6.031 143 H SER 18 H SER 18 -0.077 -1.890 0.353 144 HA SER 18 HA SER 18 -2.740 -1.681 1.337 145 HB2 SER 18 HB2 SER 18 -2.514 0.676 0.579 146 HB3 SER 18 HB3 SER 18 -1.250 0.220 1.339 147 HG SER 18 HG SER 18 -0.082 0.047 -0.501 148 H ALA 19 H ALA 19 -1.680 -2.579 -1.864 149 HA ALA 19 HA ALA 19 -4.074 -2.034 -3.319 150 HB1 ALA 19 HB1 ALA 19 -1.866 -2.530 -4.334 151 HB2 ALA 19 HB2 ALA 19 -1.983 -4.209 -3.753 152 HB3 ALA 19 HB3 ALA 19 -3.136 -3.598 -4.954 153 H GLY 20 H GLY 20 -3.501 -4.435 -0.883 154 HA2 GLY 20 HA2 GLY 20 -6.172 -5.690 -1.459 155 HA3 GLY 20 HA3 GLY 20 -4.754 -6.669 -1.083 156 H ABA 21 H ABU 21 -3.926 -4.498 0.919 157 HA ABA 21 HA ABU 21 -3.872 -4.337 3.154 158 HB3 ABA 21 HB3 ABU 21 -6.744 -3.460 2.741 159 HB2 ABA 21 HB2 ABU 21 -5.331 -2.522 2.250 160 HG1 ABA 21 HG1 ABU 21 -6.159 -1.741 4.412 161 HG3 ABA 21 HG3 ABU 21 -4.541 -2.448 4.598 162 HG2 ABA 21 HG2 ABU 21 -5.981 -3.362 5.109 163 H TYR 22 H TYR 22 -3.514 -6.463 3.734 164 HA TYR 22 HA TYR 22 -3.742 -8.365 4.902 165 HB2 TYR 22 HB2 TYR 22 -6.608 -7.930 5.553 166 HB3 TYR 22 HB3 TYR 22 -5.664 -9.010 6.202 167 HD1 TYR 22 HD1 TYR 22 -3.586 -8.316 7.555 168 HD2 TYR 22 HD2 TYR 22 -6.841 -5.663 6.568 169 HE1 TYR 22 HE1 TYR 22 -2.987 -6.857 9.488 170 HE2 TYR 22 HE2 TYR 22 -6.250 -4.214 8.502 171 HH TYR 22 HH TYR 22 -4.855 -3.904 10.294 172 H ALA 23 H ALA 23 -4.415 -7.983 1.981 173 HA ALA 23 HA ALA 23 -5.329 -9.027 0.184 174 HB1 ALA 23 HB1 ALA 23 -4.870 -11.415 -0.001 175 HB2 ALA 23 HB2 ALA 23 -3.513 -10.576 0.772 176 HB3 ALA 23 HB3 ALA 23 -4.640 -11.537 1.756 177 H ARG 24 H ARG 24 -7.203 -7.970 1.603 178 HA ARG 24 HA ARG 24 -9.478 -9.866 2.081 179 HB2 ARG 24 HB2 ARG 24 -8.359 -8.971 4.055 180 HB3 ARG 24 HB3 ARG 24 -8.336 -7.465 3.527 181 HG2 ARG 24 HG2 ARG 24 -10.005 -7.564 5.243 182 HG3 ARG 24 HG3 ARG 24 -10.618 -7.069 3.943 183 HD2 ARG 24 HD2 ARG 24 -11.456 -9.602 3.594 184 HD3 ARG 24 HD3 ARG 24 -10.877 -9.925 4.977 185 HE ARG 24 HE ARG 24 -12.661 -8.891 6.035 186 HH11 ARG 24 HH11 ARG 24 -12.501 -7.523 2.794 187 HH12 ARG 24 HH12 ARG 24 -14.013 -6.657 3.004 188 HH21 ARG 24 HH21 ARG 24 -14.565 -7.699 6.209 189 HH22 ARG 24 HH22 ARG 24 -15.094 -6.741 4.849 190 H GLY 25 H GLY 25 -8.689 -8.063 -0.325 191 HA2 GLY 25 HA2 GLY 25 -9.922 -7.044 -2.001 192 HA3 GLY 25 HA3 GLY 25 -11.385 -7.212 -1.025 193 H VAL 26 H VAL 26 -8.608 -5.612 0.358 194 HA VAL 26 HA VAL 26 -8.449 -3.624 1.400 195 HB VAL 26 HB VAL 26 -7.213 -3.270 -0.493 196 HG11 VAL 26 HG11 VAL 26 -9.673 -2.312 -1.978 197 HG12 VAL 26 HG12 VAL 26 -7.997 -2.090 -2.525 198 HG13 VAL 26 HG13 VAL 26 -8.658 -3.716 -2.349 199 HG21 VAL 26 HG21 VAL 26 -8.780 -0.715 -0.064 200 HG22 VAL 26 HG22 VAL 26 -7.543 -1.355 1.049 201 HG23 VAL 26 HG23 VAL 26 -7.103 -0.888 -0.600 202 HA PRO 27 HA PRO 27 -12.847 -3.448 2.403 203 HB2 PRO 27 HB2 PRO 27 -11.966 -2.035 4.868 204 HB3 PRO 27 HB3 PRO 27 -13.016 -3.037 4.728 205 HG2 PRO 27 HG2 PRO 27 -10.763 -4.297 5.324 206 HG3 PRO 27 HG3 PRO 27 -11.651 -4.947 4.286 207 HD2 PRO 27 HD2 PRO 27 -9.167 -3.560 3.430 208 HD3 PRO 27 HD3 PRO 27 -9.800 -4.803 2.886 209 H LEU 28 H LEU 28 -10.979 -0.365 2.713 210 HA LEU 28 HA LEU 28 -13.303 1.289 2.513 211 HB2 LEU 28 HB2 LEU 28 -11.772 3.092 2.452 212 HB3 LEU 28 HB3 LEU 28 -11.432 2.121 3.654 213 HG LEU 28 HG LEU 28 -9.466 3.103 2.620 214 HD11 LEU 28 HD11 LEU 28 -8.018 1.228 2.631 215 HD12 LEU 28 HD12 LEU 28 -9.311 0.100 2.222 216 HD13 LEU 28 HD13 LEU 28 -9.294 0.910 3.812 217 HD21 LEU 28 HD21 LEU 28 -10.203 3.096 0.248 218 HD22 LEU 28 HD22 LEU 28 -9.923 1.342 0.196 219 HD23 LEU 28 HD23 LEU 28 -8.572 2.445 0.495 220 H SER 29 H SER 29 -11.916 -0.487 0.039 221 HA SER 29 HA SER 29 -13.401 1.088 -2.026 222 HB2 SER 29 HB2 SER 29 -10.829 -0.401 -2.608 223 HB3 SER 29 HB3 SER 29 -11.733 0.255 -3.675 224 HG SER 29 HG SER 29 -10.037 1.634 -2.981 225 H GLU 30 H GLU 30 -13.381 -1.790 -0.325 226 HA GLU 30 HA GLU 30 -14.069 -3.761 -2.249 227 HB2 GLU 30 HB2 GLU 30 -13.676 -3.809 0.436 228 HB3 GLU 30 HB3 GLU 30 -15.191 -3.566 0.538 229 HG2 GLU 30 HG2 GLU 30 -15.318 -5.727 -1.110 230 HG3 GLU 30 HG3 GLU 30 -13.858 -5.970 -0.731 231 HA PRO 31 HA PRO 31 -18.031 -2.282 -3.685 232 HB2 PRO 31 HB2 PRO 31 -19.082 -5.034 -3.957 233 HB3 PRO 31 HB3 PRO 31 -19.142 -3.932 -4.916 234 HG2 PRO 31 HG2 PRO 31 -17.014 -5.416 -5.467 235 HG3 PRO 31 HG3 PRO 31 -16.862 -3.914 -5.605 236 HD2 PRO 31 HD2 PRO 31 -15.665 -5.298 -3.252 237 HD3 PRO 31 HD3 PRO 31 -15.127 -4.167 -4.077 238 HA PRO 32 HA PRO 32 -21.038 -3.803 -0.175 239 HB2 PRO 32 HB2 PRO 32 -19.388 -4.780 2.050 240 HB3 PRO 32 HB3 PRO 32 -20.683 -5.278 1.596 241 HG2 PRO 32 HG2 PRO 32 -18.794 -6.838 0.581 242 HG3 PRO 32 HG3 PRO 32 -19.933 -6.493 -0.335 243 HD2 PRO 32 HD2 PRO 32 -17.340 -4.981 -0.605 244 HD3 PRO 32 HD3 PRO 32 -18.125 -5.660 -1.655 245 H GLN 33 H GLN 33 -18.028 -2.061 0.202 246 HA GLN 33 HA GLN 33 -19.341 -0.043 1.987 247 HB2 GLN 33 HB2 GLN 33 -16.411 -0.433 1.514 248 HB3 GLN 33 HB3 GLN 33 -16.987 0.805 2.283 249 HG2 GLN 33 HG2 GLN 33 -16.641 -0.536 4.137 250 HG3 GLN 33 HG3 GLN 33 -18.145 -0.691 3.979 251 HE21 GLN 33 HE21 GLN 33 -15.267 -2.347 2.551 252 HE22 GLN 33 HE22 GLN 33 -15.872 -3.984 2.788 253 H ALA 34 H ALA 34 -19.002 -0.625 -1.208 254 HA ALA 34 HA ALA 34 -18.895 0.588 -3.121 255 HB1 ALA 34 HB1 ALA 34 -20.824 2.083 -3.207 256 HB2 ALA 34 HB2 ALA 34 -21.180 0.649 -2.229 257 HB3 ALA 34 HB3 ALA 34 -20.837 2.203 -1.433 258 H LEU 35 H LEU 35 -16.542 1.277 -2.036 259 HA LEU 35 HA LEU 35 -14.834 2.772 -2.063 260 HB2 LEU 35 HB2 LEU 35 -16.415 4.131 -4.227 261 HB3 LEU 35 HB3 LEU 35 -14.986 4.565 -3.912 262 HG LEU 35 HG LEU 35 -15.320 1.600 -4.423 263 HD11 LEU 35 HD11 LEU 35 -14.936 2.016 -6.823 264 HD12 LEU 35 HD12 LEU 35 -15.097 3.768 -6.554 265 HD13 LEU 35 HD13 LEU 35 -16.485 2.688 -6.290 266 HD21 LEU 35 HD21 LEU 35 -13.040 1.797 -5.229 267 HD22 LEU 35 HD22 LEU 35 -13.123 2.607 -3.654 268 HD23 LEU 35 HD23 LEU 35 -13.100 3.571 -5.134 269 HN1 NH2 36 H1 NHE 36 -17.193 3.440 -0.159 270 HN2 NH2 36 H2 NHE 36 -16.792 5.077 0.325 Start of MODEL 9 1 H1 ARG 1 H1 ARG 1 7.537 11.895 -4.212 2 H2 ARG 1 H2 ARG 1 7.251 10.385 -3.649 3 H3 ARG 1 H3 ARG 1 8.096 10.604 -5.036 4 HA ARG 1 HA ARG 1 8.991 11.470 -2.364 5 HB2 ARG 1 HB2 ARG 1 9.810 9.043 -3.938 6 HB3 ARG 1 HB3 ARG 1 10.893 9.673 -3.049 7 HG2 ARG 1 HG2 ARG 1 8.353 8.615 -1.843 8 HG3 ARG 1 HG3 ARG 1 9.725 7.901 -1.829 9 HD2 ARG 1 HD2 ARG 1 10.635 10.117 -0.587 10 HD3 ARG 1 HD3 ARG 1 9.175 10.547 -0.435 11 HE ARG 1 HE ARG 1 9.152 7.878 0.508 12 HH11 ARG 1 HH11 ARG 1 10.448 10.988 1.522 13 HH12 ARG 1 HH12 ARG 1 10.706 10.433 3.152 14 HH21 ARG 1 HH21 ARG 1 9.714 7.206 2.481 15 HH22 ARG 1 HH22 ARG 1 10.233 8.346 3.716 16 H ASP 2 H ASP 2 11.292 12.049 -2.298 17 HA ASP 2 HA ASP 2 12.276 13.367 -4.790 18 HB2 ASP 2 HB2 ASP 2 11.140 14.974 -3.148 19 HB3 ASP 2 HB3 ASP 2 12.067 14.595 -2.025 20 HA PRO 3 HA PRO 3 16.227 12.338 -2.360 21 HB2 PRO 3 HB2 PRO 3 16.336 11.067 -0.018 22 HB3 PRO 3 HB3 PRO 3 16.051 12.555 -0.082 23 HG2 PRO 3 HG2 PRO 3 13.820 10.640 0.409 24 HG3 PRO 3 HG3 PRO 3 14.077 11.906 1.086 25 HD2 PRO 3 HD2 PRO 3 12.399 12.262 -0.993 26 HD3 PRO 3 HD3 PRO 3 13.372 13.381 -0.607 27 H LEU 4 H LEU 4 13.715 9.854 -2.255 28 HA LEU 4 HA LEU 4 13.571 7.699 -2.884 29 HB2 LEU 4 HB2 LEU 4 14.200 9.335 -5.105 30 HB3 LEU 4 HB3 LEU 4 15.107 8.169 -5.390 31 HG LEU 4 HG LEU 4 12.126 7.797 -4.834 32 HD11 LEU 4 HD11 LEU 4 12.597 8.993 -6.939 33 HD12 LEU 4 HD12 LEU 4 11.943 7.377 -7.250 34 HD13 LEU 4 HD13 LEU 4 13.684 7.682 -7.449 35 HD21 LEU 4 HD21 LEU 4 14.140 5.764 -5.875 36 HD22 LEU 4 HD22 LEU 4 12.382 5.524 -5.755 37 HD23 LEU 4 HD23 LEU 4 13.346 5.725 -4.288 38 H LEU 5 H LEU 5 15.886 8.001 -1.161 39 HA LEU 5 HA LEU 5 18.132 6.529 -2.163 40 HB2 LEU 5 HB2 LEU 5 17.396 6.980 0.721 41 HB3 LEU 5 HB3 LEU 5 18.762 6.402 0.282 42 HG LEU 5 HG LEU 5 17.859 9.164 -0.639 43 HD11 LEU 5 HD11 LEU 5 18.188 9.047 1.797 44 HD12 LEU 5 HD12 LEU 5 19.454 10.010 1.022 45 HD13 LEU 5 HD13 LEU 5 19.805 8.348 1.554 46 HD21 LEU 5 HD21 LEU 5 19.523 8.231 -2.181 47 HD22 LEU 5 HD22 LEU 5 20.567 7.770 -0.816 48 HD23 LEU 5 HD23 LEU 5 20.266 9.483 -1.186 49 H ASP 6 H ASP 6 15.270 5.411 -0.394 50 HA ASP 6 HA ASP 6 15.929 2.613 -1.147 51 HB2 ASP 6 HB2 ASP 6 16.700 3.325 1.325 52 HB3 ASP 6 HB3 ASP 6 15.242 3.367 1.719 53 H ALA 7 H ALA 7 13.624 4.945 -1.221 54 HA ALA 7 HA ALA 7 11.252 3.842 -0.220 55 HB1 ALA 7 HB1 ALA 7 10.134 5.407 -1.733 56 HB2 ALA 7 HB2 ALA 7 11.521 6.168 -0.935 57 HB3 ALA 7 HB3 ALA 7 11.641 5.650 -2.636 58 H NLE 8 H NLE 8 12.809 3.213 -3.352 59 HA NLE 8 HA NLE 8 10.735 1.883 -4.656 60 HB2 NLE 8 HB2 NLE 8 12.271 1.154 -6.225 61 HB3 NLE 8 HB3 NLE 8 12.898 2.684 -5.661 62 HG2 NLE 8 HG2 NLE 8 13.904 -0.104 -4.911 63 HG3 NLE 8 HG3 NLE 8 14.651 0.994 -6.051 64 HD2 NLE 8 HD2 NLE 8 14.453 1.450 -3.045 65 HD3 NLE 8 HD3 NLE 8 15.868 0.903 -3.934 66 HE1 NLE 8 HE1 NLE 8 16.119 3.265 -3.485 67 HE2 NLE 8 HE2 NLE 8 15.871 3.054 -5.227 68 HE3 NLE 8 HE3 NLE 8 14.540 3.630 -4.196 69 H ARG 9 H ARG 9 12.593 0.650 -2.001 70 HA ARG 9 HA ARG 9 11.514 -2.129 -2.398 71 HB2 ARG 9 HB2 ARG 9 13.419 -1.319 -0.231 72 HB3 ARG 9 HB3 ARG 9 12.947 -2.765 -0.532 73 HG2 ARG 9 HG2 ARG 9 14.073 -2.390 -2.939 74 HG3 ARG 9 HG3 ARG 9 14.685 -1.108 -2.404 75 HD2 ARG 9 HD2 ARG 9 15.400 -3.796 -1.230 76 HD3 ARG 9 HD3 ARG 9 16.323 -2.873 -2.038 77 HE ARG 9 HE ARG 9 15.986 -1.099 -0.143 78 HH11 ARG 9 HH11 ARG 9 16.168 -4.547 0.501 79 HH12 ARG 9 HH12 ARG 9 16.467 -4.279 2.197 80 HH21 ARG 9 HH21 ARG 9 16.189 -0.840 1.954 81 HH22 ARG 9 HH22 ARG 9 16.539 -2.203 3.006 82 H ARG 10 H ARG 10 11.863 0.219 0.277 83 HA ARG 10 HA ARG 10 10.029 -1.196 1.946 84 HB2 ARG 10 HB2 ARG 10 10.672 0.444 3.559 85 HB3 ARG 10 HB3 ARG 10 11.937 0.121 2.737 86 HG2 ARG 10 HG2 ARG 10 11.045 2.332 1.315 87 HG3 ARG 10 HG3 ARG 10 10.302 2.662 2.592 88 HD2 ARG 10 HD2 ARG 10 13.314 2.378 2.545 89 HD3 ARG 10 HD3 ARG 10 12.535 3.714 2.604 90 HE ARG 10 HE ARG 10 11.593 3.064 4.832 91 HH11 ARG 10 HH11 ARG 10 14.570 1.386 3.821 92 HH12 ARG 10 HH12 ARG 10 15.037 1.160 5.481 93 HH21 ARG 10 HH21 ARG 10 12.301 2.674 6.873 94 HH22 ARG 10 HH22 ARG 10 13.804 1.841 7.138 95 H GLU 11 H GLU 11 9.465 1.718 -0.005 96 HA GLU 11 HA GLU 11 6.614 1.816 0.874 97 HB2 GLU 11 HB2 GLU 11 8.134 3.754 -0.858 98 HB3 GLU 11 HB3 GLU 11 6.629 3.874 -0.654 99 HG2 GLU 11 HG2 GLU 11 6.806 4.251 1.762 100 HG3 GLU 11 HG3 GLU 11 8.155 3.570 1.929 101 H GLY 12 H GLY 12 8.605 0.973 -1.948 102 HA2 GLY 12 HA2 GLY 12 6.605 0.388 -3.856 103 HA3 GLY 12 HA3 GLY 12 8.122 -0.501 -3.651 104 H ALA 13 H ALA 13 7.786 -1.707 -1.149 105 HA ALA 13 HA ALA 13 6.002 -3.875 -1.609 106 HB1 ALA 13 HB1 ALA 13 8.023 -4.039 -0.232 107 HB2 ALA 13 HB2 ALA 13 7.327 -2.917 0.961 108 HB3 ALA 13 HB3 ALA 13 6.591 -4.513 0.700 109 H NLE 14 H NLE 14 5.611 -1.040 0.588 110 HA NLE 14 HA NLE 14 3.048 -1.768 1.585 111 HB2 NLE 14 HB2 NLE 14 4.370 0.945 1.272 112 HB3 NLE 14 HB3 NLE 14 2.807 0.702 2.064 113 HG2 NLE 14 HG2 NLE 14 3.851 -0.911 3.646 114 HG3 NLE 14 HG3 NLE 14 5.432 -0.581 2.944 115 HD2 NLE 14 HD2 NLE 14 3.638 1.467 4.324 116 HD3 NLE 14 HD3 NLE 14 5.014 0.644 5.061 117 HE1 NLE 14 HE1 NLE 14 6.541 1.708 3.403 118 HE2 NLE 14 HE2 NLE 14 5.153 2.597 2.723 119 HE3 NLE 14 HE3 NLE 14 5.667 2.891 4.392 120 H ASP 15 H ASP 15 3.931 -0.011 -1.387 121 HA ASP 15 HA ASP 15 1.305 0.734 -2.185 122 HB2 ASP 15 HB2 ASP 15 3.634 1.455 -3.157 123 HB3 ASP 15 HB3 ASP 15 3.723 0.158 -3.929 124 H PHE 16 H PHE 16 2.703 -2.466 -2.205 125 HA PHE 16 HA PHE 16 0.321 -3.389 -3.761 126 HB2 PHE 16 HB2 PHE 16 1.547 -5.180 -4.645 127 HB3 PHE 16 HB3 PHE 16 2.256 -3.848 -5.047 128 HD1 PHE 16 HD1 PHE 16 2.532 -6.441 -2.287 129 HD2 PHE 16 HD2 PHE 16 4.582 -3.802 -5.016 130 HE1 PHE 16 HE1 PHE 16 4.703 -7.425 -1.612 131 HE2 PHE 16 HE2 PHE 16 6.748 -4.820 -4.368 132 HZ PHE 16 HZ PHE 16 6.815 -6.632 -2.663 133 H TRP 17 H TRP 17 1.836 -3.581 -0.635 134 HA TRP 17 HA TRP 17 0.093 -5.700 0.358 135 HB2 TRP 17 HB2 TRP 17 2.000 -4.737 1.707 136 HB3 TRP 17 HB3 TRP 17 1.420 -3.306 1.672 137 HD1 TRP 17 HD1 TRP 17 0.056 -2.528 3.655 138 HE1 TRP 17 HE1 TRP 17 -1.214 -3.610 5.606 139 HE3 TRP 17 HE3 TRP 17 0.465 -7.447 2.263 140 HZ2 TRP 17 HZ2 TRP 17 -1.943 -6.264 6.465 141 HZ3 TRP 17 HZ3 TRP 17 -0.517 -9.234 3.683 142 HH2 TRP 17 HH2 TRP 17 -1.690 -8.659 5.795 143 H SER 18 H SER 18 -0.212 -2.107 0.299 144 HA SER 18 HA SER 18 -2.856 -2.016 1.338 145 HB2 SER 18 HB2 SER 18 -2.717 0.375 0.676 146 HB3 SER 18 HB3 SER 18 -1.422 -0.073 1.383 147 HG SER 18 HG SER 18 -0.301 -0.128 -0.485 148 H ALA 19 H ALA 19 -1.858 -2.825 -1.898 149 HA ALA 19 HA ALA 19 -4.293 -2.283 -3.290 150 HB1 ALA 19 HB1 ALA 19 -2.109 -2.759 -4.366 151 HB2 ALA 19 HB2 ALA 19 -2.203 -4.443 -3.794 152 HB3 ALA 19 HB3 ALA 19 -3.390 -3.829 -4.958 153 H GLY 20 H GLY 20 -3.657 -4.671 -0.865 154 HA2 GLY 20 HA2 GLY 20 -6.344 -5.916 -1.358 155 HA3 GLY 20 HA3 GLY 20 -4.921 -6.918 -1.071 156 H ABA 21 H ABU 21 -3.918 -4.896 0.947 157 HA ABA 21 HA ABU 21 -3.754 -4.808 3.183 158 HB3 ABA 21 HB3 ABU 21 -6.561 -3.697 2.896 159 HB2 ABA 21 HB2 ABU 21 -5.090 -2.859 2.392 160 HG1 ABA 21 HG1 ABU 21 -5.777 -2.083 4.601 161 HG3 ABA 21 HG3 ABU 21 -4.229 -2.944 4.721 162 HG2 ABA 21 HG2 ABU 21 -5.736 -3.736 5.241 163 H TYR 22 H TYR 22 -3.516 -6.882 3.890 164 HA TYR 22 HA TYR 22 -3.871 -8.796 5.000 165 HB2 TYR 22 HB2 TYR 22 -6.671 -8.152 5.739 166 HB3 TYR 22 HB3 TYR 22 -5.771 -9.265 6.383 167 HD1 TYR 22 HD1 TYR 22 -3.584 -8.638 7.627 168 HD2 TYR 22 HD2 TYR 22 -6.750 -5.857 6.699 169 HE1 TYR 22 HE1 TYR 22 -2.829 -7.153 9.485 170 HE2 TYR 22 HE2 TYR 22 -6.004 -4.383 8.561 171 HH TYR 22 HH TYR 22 -4.515 -4.090 10.279 172 H ALA 23 H ALA 23 -4.558 -8.374 2.110 173 HA ALA 23 HA ALA 23 -5.586 -9.338 0.330 174 HB1 ALA 23 HB1 ALA 23 -5.313 -11.755 0.151 175 HB2 ALA 23 HB2 ALA 23 -3.889 -11.022 0.912 176 HB3 ALA 23 HB3 ALA 23 -5.080 -11.889 1.907 177 H ARG 24 H ARG 24 -7.360 -8.148 1.827 178 HA ARG 24 HA ARG 24 -9.778 -9.875 2.235 179 HB2 ARG 24 HB2 ARG 24 -8.611 -9.147 4.254 180 HB3 ARG 24 HB3 ARG 24 -8.474 -7.630 3.794 181 HG2 ARG 24 HG2 ARG 24 -10.175 -7.669 5.475 182 HG3 ARG 24 HG3 ARG 24 -10.738 -7.094 4.183 183 HD2 ARG 24 HD2 ARG 24 -11.740 -9.548 3.744 184 HD3 ARG 24 HD3 ARG 24 -11.197 -9.956 5.122 185 HE ARG 24 HE ARG 24 -12.915 -8.832 6.200 186 HH11 ARG 24 HH11 ARG 24 -12.639 -7.400 2.998 187 HH12 ARG 24 HH12 ARG 24 -14.094 -6.447 3.208 188 HH21 ARG 24 HH21 ARG 24 -14.737 -7.521 6.394 189 HH22 ARG 24 HH22 ARG 24 -15.191 -6.495 5.058 190 H GLY 25 H GLY 25 -8.792 -7.999 -0.063 191 HA2 GLY 25 HA2 GLY 25 -9.992 -6.974 -1.763 192 HA3 GLY 25 HA3 GLY 25 -11.457 -7.041 -0.781 193 H VAL 26 H VAL 26 -8.563 -5.556 0.526 194 HA VAL 26 HA VAL 26 -8.283 -3.547 1.511 195 HB VAL 26 HB VAL 26 -7.152 -3.256 -0.479 196 HG11 VAL 26 HG11 VAL 26 -9.635 -2.111 -1.796 197 HG12 VAL 26 HG12 VAL 26 -7.984 -2.040 -2.445 198 HG13 VAL 26 HG13 VAL 26 -8.774 -3.602 -2.232 199 HG21 VAL 26 HG21 VAL 26 -8.584 -0.651 0.111 200 HG22 VAL 26 HG22 VAL 26 -7.265 -1.350 1.088 201 HG23 VAL 26 HG23 VAL 26 -6.978 -0.860 -0.587 202 HA PRO 27 HA PRO 27 -12.691 -3.284 2.624 203 HB2 PRO 27 HB2 PRO 27 -11.677 -2.042 5.128 204 HB3 PRO 27 HB3 PRO 27 -12.789 -2.976 4.965 205 HG2 PRO 27 HG2 PRO 27 -10.608 -4.395 5.444 206 HG3 PRO 27 HG3 PRO 27 -11.550 -4.933 4.389 207 HD2 PRO 27 HD2 PRO 27 -9.003 -3.645 3.556 208 HD3 PRO 27 HD3 PRO 27 -9.712 -4.825 2.966 209 H LEU 28 H LEU 28 -10.647 -0.337 3.038 210 HA LEU 28 HA LEU 28 -12.842 1.479 2.980 211 HB2 LEU 28 HB2 LEU 28 -11.187 3.165 2.923 212 HB3 LEU 28 HB3 LEU 28 -10.853 2.116 4.060 213 HG LEU 28 HG LEU 28 -8.876 3.000 2.975 214 HD11 LEU 28 HD11 LEU 28 -7.578 1.014 2.759 215 HD12 LEU 28 HD12 LEU 28 -8.994 0.020 2.416 216 HD13 LEU 28 HD13 LEU 28 -8.778 0.750 4.031 217 HD21 LEU 28 HD21 LEU 28 -9.734 3.197 0.653 218 HD22 LEU 28 HD22 LEU 28 -9.581 1.436 0.478 219 HD23 LEU 28 HD23 LEU 28 -8.144 2.425 0.770 220 H SER 29 H SER 29 -11.655 -0.271 0.366 221 HA SER 29 HA SER 29 -13.206 1.411 -1.547 222 HB2 SER 29 HB2 SER 29 -10.546 0.158 -2.279 223 HB3 SER 29 HB3 SER 29 -11.533 0.769 -3.306 224 HG SER 29 HG SER 29 -9.961 2.277 -2.593 225 H GLU 30 H GLU 30 -13.294 -1.431 0.011 226 HA GLU 30 HA GLU 30 -13.765 -3.405 -2.000 227 HB2 GLU 30 HB2 GLU 30 -13.598 -3.491 0.702 228 HB3 GLU 30 HB3 GLU 30 -15.120 -3.246 0.686 229 HG2 GLU 30 HG2 GLU 30 -15.135 -5.391 -0.970 230 HG3 GLU 30 HG3 GLU 30 -13.701 -5.640 -0.515 231 HA PRO 31 HA PRO 31 -17.621 -1.969 -3.743 232 HB2 PRO 31 HB2 PRO 31 -18.646 -4.732 -4.019 233 HB3 PRO 31 HB3 PRO 31 -18.655 -3.650 -5.006 234 HG2 PRO 31 HG2 PRO 31 -16.489 -5.126 -5.395 235 HG3 PRO 31 HG3 PRO 31 -16.334 -3.627 -5.549 236 HD2 PRO 31 HD2 PRO 31 -15.278 -4.963 -3.105 237 HD3 PRO 31 HD3 PRO 31 -14.700 -3.835 -3.909 238 HA PRO 32 HA PRO 32 -20.871 -3.391 -0.422 239 HB2 PRO 32 HB2 PRO 32 -19.413 -4.363 1.930 240 HB3 PRO 32 HB3 PRO 32 -20.668 -4.860 1.375 241 HG2 PRO 32 HG2 PRO 32 -18.699 -6.438 0.549 242 HG3 PRO 32 HG3 PRO 32 -19.766 -6.114 -0.460 243 HD2 PRO 32 HD2 PRO 32 -17.157 -4.609 -0.562 244 HD3 PRO 32 HD3 PRO 32 -17.863 -5.305 -1.654 245 H GLN 33 H GLN 33 -17.813 -1.774 0.252 246 HA GLN 33 HA GLN 33 -19.156 0.265 1.983 247 HB2 GLN 33 HB2 GLN 33 -16.227 -0.156 1.481 248 HB3 GLN 33 HB3 GLN 33 -16.769 1.121 2.208 249 HG2 GLN 33 HG2 GLN 33 -16.445 -0.174 4.109 250 HG3 GLN 33 HG3 GLN 33 -17.950 -0.287 3.965 251 HE21 GLN 33 HE21 GLN 33 -15.047 -2.064 2.809 252 HE22 GLN 33 HE22 GLN 33 -15.745 -3.675 2.951 253 H ALA 34 H ALA 34 -18.511 -0.277 -1.277 254 HA ALA 34 HA ALA 34 -18.292 0.986 -3.137 255 HB1 ALA 34 HB1 ALA 34 -20.219 2.457 -3.423 256 HB2 ALA 34 HB2 ALA 34 -20.669 1.003 -2.517 257 HB3 ALA 34 HB3 ALA 34 -20.442 2.546 -1.661 258 H LEU 35 H LEU 35 -16.161 1.698 -1.564 259 HA LEU 35 HA LEU 35 -14.486 3.183 -1.285 260 HB2 LEU 35 HB2 LEU 35 -15.594 4.615 -3.660 261 HB3 LEU 35 HB3 LEU 35 -14.194 4.970 -3.004 262 HG LEU 35 HG LEU 35 -13.295 2.691 -3.449 263 HD11 LEU 35 HD11 LEU 35 -14.399 1.379 -5.288 264 HD12 LEU 35 HD12 LEU 35 -15.861 2.367 -5.068 265 HD13 LEU 35 HD13 LEU 35 -15.270 1.300 -3.768 266 HD21 LEU 35 HD21 LEU 35 -12.933 3.135 -5.838 267 HD22 LEU 35 HD22 LEU 35 -12.847 4.629 -4.898 268 HD23 LEU 35 HD23 LEU 35 -14.305 4.267 -5.849 269 HN1 NH2 36 H1 NHE 36 -17.210 3.825 0.101 270 HN2 NH2 36 H2 NHE 36 -16.918 5.451 0.688 Start of MODEL 10 1 H1 ARG 1 H1 ARG 1 7.859 11.458 -4.660 2 H2 ARG 1 H2 ARG 1 7.452 10.055 -3.929 3 H3 ARG 1 H3 ARG 1 8.368 10.035 -5.285 4 HA ARG 1 HA ARG 1 9.211 11.178 -2.693 5 HB2 ARG 1 HB2 ARG 1 9.944 8.539 -3.926 6 HB3 ARG 1 HB3 ARG 1 11.007 9.223 -3.036 7 HG2 ARG 1 HG2 ARG 1 8.335 8.448 -1.898 8 HG3 ARG 1 HG3 ARG 1 9.644 7.632 -1.752 9 HD2 ARG 1 HD2 ARG 1 10.631 9.956 -0.695 10 HD3 ARG 1 HD3 ARG 1 9.175 10.384 -0.568 11 HE ARG 1 HE ARG 1 9.127 7.785 0.525 12 HH11 ARG 1 HH11 ARG 1 10.578 10.877 1.359 13 HH12 ARG 1 HH12 ARG 1 10.896 10.373 2.995 14 HH21 ARG 1 HH21 ARG 1 9.742 7.165 2.493 15 HH22 ARG 1 HH22 ARG 1 10.370 8.323 3.660 16 H ASP 2 H ASP 2 10.454 12.905 -3.040 17 HA ASP 2 HA ASP 2 11.991 13.292 -5.469 18 HB2 ASP 2 HB2 ASP 2 11.005 15.138 -3.982 19 HB3 ASP 2 HB3 ASP 2 11.942 14.827 -2.852 20 HA PRO 3 HA PRO 3 15.904 12.491 -2.925 21 HB2 PRO 3 HB2 PRO 3 16.032 11.600 -0.429 22 HB3 PRO 3 HB3 PRO 3 15.623 13.037 -0.705 23 HG2 PRO 3 HG2 PRO 3 13.546 11.018 0.006 24 HG3 PRO 3 HG3 PRO 3 13.685 12.377 0.517 25 HD2 PRO 3 HD2 PRO 3 12.042 12.313 -1.633 26 HD3 PRO 3 HD3 PRO 3 12.886 13.554 -1.344 27 H LEU 4 H LEU 4 13.499 9.934 -2.544 28 HA LEU 4 HA LEU 4 13.466 7.706 -2.890 29 HB2 LEU 4 HB2 LEU 4 14.084 9.096 -5.272 30 HB3 LEU 4 HB3 LEU 4 15.063 7.960 -5.393 31 HG LEU 4 HG LEU 4 12.084 7.497 -4.892 32 HD11 LEU 4 HD11 LEU 4 12.584 8.460 -7.104 33 HD12 LEU 4 HD12 LEU 4 12.023 6.786 -7.247 34 HD13 LEU 4 HD13 LEU 4 13.754 7.159 -7.418 35 HD21 LEU 4 HD21 LEU 4 14.232 5.460 -5.607 36 HD22 LEU 4 HD22 LEU 4 12.483 5.148 -5.527 37 HD23 LEU 4 HD23 LEU 4 13.370 5.567 -4.057 38 H LEU 5 H LEU 5 15.686 8.270 -1.130 39 HA LEU 5 HA LEU 5 18.049 6.868 -1.927 40 HB2 LEU 5 HB2 LEU 5 17.210 7.497 0.889 41 HB3 LEU 5 HB3 LEU 5 18.629 7.008 0.516 42 HG LEU 5 HG LEU 5 17.502 9.606 -0.606 43 HD11 LEU 5 HD11 LEU 5 17.854 9.678 1.832 44 HD12 LEU 5 HD12 LEU 5 19.023 10.696 0.980 45 HD13 LEU 5 HD13 LEU 5 19.525 9.111 1.614 46 HD21 LEU 5 HD21 LEU 5 19.228 8.724 -2.102 47 HD22 LEU 5 HD22 LEU 5 20.315 8.434 -0.723 48 HD23 LEU 5 HD23 LEU 5 19.873 10.090 -1.194 49 H ASP 6 H ASP 6 15.228 5.698 -0.120 50 HA ASP 6 HA ASP 6 16.124 2.898 -0.579 51 HB2 ASP 6 HB2 ASP 6 16.754 3.907 1.822 52 HB3 ASP 6 HB3 ASP 6 15.280 3.883 2.170 53 H ALA 7 H ALA 7 13.643 5.035 -0.909 54 HA ALA 7 HA ALA 7 11.349 3.809 0.140 55 HB1 ALA 7 HB1 ALA 7 10.147 5.198 -1.495 56 HB2 ALA 7 HB2 ALA 7 11.450 6.107 -0.706 57 HB3 ALA 7 HB3 ALA 7 11.658 5.506 -2.371 58 H NLE 8 H NLE 8 13.027 3.096 -2.908 59 HA NLE 8 HA NLE 8 11.057 1.626 -4.209 60 HB2 NLE 8 HB2 NLE 8 12.680 0.865 -5.684 61 HB3 NLE 8 HB3 NLE 8 13.210 2.455 -5.190 62 HG2 NLE 8 HG2 NLE 8 14.324 -0.227 -4.234 63 HG3 NLE 8 HG3 NLE 8 15.055 0.832 -5.421 64 HD2 NLE 8 HD2 NLE 8 14.740 1.462 -2.457 65 HD3 NLE 8 HD3 NLE 8 16.208 0.944 -3.276 66 HE1 NLE 8 HE1 NLE 8 16.322 3.337 -2.967 67 HE2 NLE 8 HE2 NLE 8 16.123 3.013 -4.698 68 HE3 NLE 8 HE3 NLE 8 14.741 3.574 -3.728 69 H ARG 9 H ARG 9 12.886 0.566 -1.454 70 HA ARG 9 HA ARG 9 12.022 -2.285 -1.785 71 HB2 ARG 9 HB2 ARG 9 13.578 -1.215 0.544 72 HB3 ARG 9 HB3 ARG 9 13.296 -2.705 0.250 73 HG2 ARG 9 HG2 ARG 9 14.643 -2.294 -2.029 74 HG3 ARG 9 HG3 ARG 9 15.050 -0.930 -1.498 75 HD2 ARG 9 HD2 ARG 9 15.909 -3.470 -0.107 76 HD3 ARG 9 HD3 ARG 9 16.813 -2.500 -0.891 77 HE ARG 9 HE ARG 9 16.249 -0.675 0.826 78 HH11 ARG 9 HH11 ARG 9 16.283 -4.057 1.780 79 HH12 ARG 9 HH12 ARG 9 16.401 -3.647 3.470 80 HH21 ARG 9 HH21 ARG 9 16.239 -0.239 2.923 81 HH22 ARG 9 HH22 ARG 9 16.431 -1.522 4.105 82 H ARG 10 H ARG 10 11.868 0.176 0.781 83 HA ARG 10 HA ARG 10 9.917 -1.298 2.286 84 HB2 ARG 10 HB2 ARG 10 10.308 0.430 3.914 85 HB3 ARG 10 HB3 ARG 10 11.670 0.012 3.301 86 HG2 ARG 10 HG2 ARG 10 11.032 2.222 1.688 87 HG3 ARG 10 HG3 ARG 10 10.228 2.628 2.897 88 HD2 ARG 10 HD2 ARG 10 13.210 2.123 3.096 89 HD3 ARG 10 HD3 ARG 10 12.547 3.512 3.042 90 HE ARG 10 HE ARG 10 11.255 2.756 5.205 91 HH11 ARG 10 HH11 ARG 10 14.613 1.849 4.484 92 HH12 ARG 10 HH12 ARG 10 14.999 1.780 6.183 93 HH21 ARG 10 HH21 ARG 10 11.868 2.587 7.316 94 HH22 ARG 10 HH22 ARG 10 13.503 2.163 7.723 95 H GLU 11 H GLU 11 9.519 1.703 0.384 96 HA GLU 11 HA GLU 11 6.602 1.732 0.915 97 HB2 GLU 11 HB2 GLU 11 8.236 3.609 -0.779 98 HB3 GLU 11 HB3 GLU 11 6.723 3.720 -0.686 99 HG2 GLU 11 HG2 GLU 11 6.721 4.186 1.725 100 HG3 GLU 11 HG3 GLU 11 8.070 3.541 2.011 101 H GLY 12 H GLY 12 8.855 0.728 -1.625 102 HA2 GLY 12 HA2 GLY 12 7.057 -0.010 -3.683 103 HA3 GLY 12 HA3 GLY 12 8.553 -0.859 -3.268 104 H ALA 13 H ALA 13 7.984 -1.907 -0.735 105 HA ALA 13 HA ALA 13 6.227 -4.103 -1.245 106 HB1 ALA 13 HB1 ALA 13 8.155 -4.214 0.274 107 HB2 ALA 13 HB2 ALA 13 7.372 -3.062 1.380 108 HB3 ALA 13 HB3 ALA 13 6.657 -4.666 1.109 109 H NLE 14 H NLE 14 5.722 -1.156 0.758 110 HA NLE 14 HA NLE 14 3.116 -1.769 1.683 111 HB2 NLE 14 HB2 NLE 14 4.434 0.906 1.108 112 HB3 NLE 14 HB3 NLE 14 2.872 0.736 1.914 113 HG2 NLE 14 HG2 NLE 14 3.842 -0.487 3.762 114 HG3 NLE 14 HG3 NLE 14 5.410 -0.587 2.959 115 HD2 NLE 14 HD2 NLE 14 5.574 1.922 3.024 116 HD3 NLE 14 HD3 NLE 14 4.050 1.964 3.931 117 HE1 NLE 14 HE1 NLE 14 5.104 0.604 5.734 118 HE2 NLE 14 HE2 NLE 14 6.629 0.586 4.816 119 HE3 NLE 14 HE3 NLE 14 5.990 2.118 5.447 120 H ASP 15 H ASP 15 4.124 -0.294 -1.404 121 HA ASP 15 HA ASP 15 1.557 0.386 -2.398 122 HB2 ASP 15 HB2 ASP 15 3.945 0.948 -3.334 123 HB3 ASP 15 HB3 ASP 15 4.027 -0.427 -3.965 124 H PHE 16 H PHE 16 2.870 -2.821 -2.010 125 HA PHE 16 HA PHE 16 0.540 -3.861 -3.565 126 HB2 PHE 16 HB2 PHE 16 1.782 -5.740 -4.247 127 HB3 PHE 16 HB3 PHE 16 2.487 -4.447 -4.763 128 HD1 PHE 16 HD1 PHE 16 2.729 -6.799 -1.801 129 HD2 PHE 16 HD2 PHE 16 4.814 -4.315 -4.649 130 HE1 PHE 16 HE1 PHE 16 4.899 -7.688 -0.995 131 HE2 PHE 16 HE2 PHE 16 6.977 -5.240 -3.868 132 HZ PHE 16 HZ PHE 16 7.027 -6.928 -2.038 133 H TRP 17 H TRP 17 1.870 -3.709 -0.381 134 HA TRP 17 HA TRP 17 0.047 -5.745 0.693 135 HB2 TRP 17 HB2 TRP 17 1.885 -4.683 2.081 136 HB3 TRP 17 HB3 TRP 17 1.317 -3.262 1.899 137 HD1 TRP 17 HD1 TRP 17 -0.186 -2.346 3.726 138 HE1 TRP 17 HE1 TRP 17 -1.608 -3.289 5.643 139 HE3 TRP 17 HE3 TRP 17 0.282 -7.349 2.700 140 HZ2 TRP 17 HZ2 TRP 17 -2.430 -5.880 6.618 141 HZ3 TRP 17 HZ3 TRP 17 -0.825 -9.032 4.154 142 HH2 TRP 17 HH2 TRP 17 -2.149 -8.312 6.127 143 H SER 18 H SER 18 -0.158 -2.174 0.271 144 HA SER 18 HA SER 18 -2.869 -1.919 1.095 145 HB2 SER 18 HB2 SER 18 -2.601 0.392 0.217 146 HB3 SER 18 HB3 SER 18 -1.377 -0.019 1.067 147 HG SER 18 HG SER 18 -0.121 -0.294 -0.698 148 H ALA 19 H ALA 19 -1.687 -3.149 -1.914 149 HA ALA 19 HA ALA 19 -3.972 -2.655 -3.566 150 HB1 ALA 19 HB1 ALA 19 -1.746 -3.344 -4.402 151 HB2 ALA 19 HB2 ALA 19 -1.952 -4.938 -3.632 152 HB3 ALA 19 HB3 ALA 19 -3.023 -4.441 -4.956 153 H GLY 20 H GLY 20 -3.696 -4.721 -0.805 154 HA2 GLY 20 HA2 GLY 20 -6.399 -5.856 -1.358 155 HA3 GLY 20 HA3 GLY 20 -5.067 -6.978 -1.082 156 H ABA 21 H ABU 21 -3.925 -5.043 0.986 157 HA ABA 21 HA ABU 21 -3.785 -5.013 3.225 158 HB3 ABA 21 HB3 ABU 21 -6.530 -3.761 2.929 159 HB2 ABA 21 HB2 ABU 21 -5.009 -2.983 2.481 160 HG1 ABA 21 HG1 ABU 21 -5.701 -2.235 4.696 161 HG3 ABA 21 HG3 ABU 21 -4.205 -3.180 4.824 162 HG2 ABA 21 HG2 ABU 21 -5.763 -3.903 5.288 163 H TYR 22 H TYR 22 -3.643 -7.068 3.983 164 HA TYR 22 HA TYR 22 -4.108 -9.027 4.962 165 HB2 TYR 22 HB2 TYR 22 -6.857 -8.212 5.754 166 HB3 TYR 22 HB3 TYR 22 -6.053 -9.425 6.332 167 HD1 TYR 22 HD1 TYR 22 -4.020 -9.160 7.780 168 HD2 TYR 22 HD2 TYR 22 -6.534 -5.849 6.627 169 HE1 TYR 22 HE1 TYR 22 -3.131 -7.818 9.686 170 HE2 TYR 22 HE2 TYR 22 -5.649 -4.510 8.531 171 HH TYR 22 HH TYR 22 -4.251 -4.476 10.348 172 H ALA 23 H ALA 23 -4.784 -8.463 2.101 173 HA ALA 23 HA ALA 23 -5.881 -9.285 0.294 174 HB1 ALA 23 HB1 ALA 23 -5.749 -11.703 0.013 175 HB2 ALA 23 HB2 ALA 23 -4.283 -11.087 0.796 176 HB3 ALA 23 HB3 ALA 23 -5.521 -11.924 1.761 177 H ARG 24 H ARG 24 -7.582 -8.068 1.896 178 HA ARG 24 HA ARG 24 -10.090 -9.682 2.193 179 HB2 ARG 24 HB2 ARG 24 -8.924 -8.984 4.244 180 HB3 ARG 24 HB3 ARG 24 -8.780 -7.468 3.798 181 HG2 ARG 24 HG2 ARG 24 -10.522 -7.545 5.447 182 HG3 ARG 24 HG3 ARG 24 -11.036 -6.921 4.155 183 HD2 ARG 24 HD2 ARG 24 -12.056 -9.351 3.612 184 HD3 ARG 24 HD3 ARG 24 -11.571 -9.801 4.997 185 HE ARG 24 HE ARG 24 -13.313 -8.680 6.038 186 HH11 ARG 24 HH11 ARG 24 -12.887 -7.159 2.894 187 HH12 ARG 24 HH12 ARG 24 -14.318 -6.165 3.089 188 HH21 ARG 24 HH21 ARG 24 -15.108 -7.328 6.210 189 HH22 ARG 24 HH22 ARG 24 -15.492 -6.256 4.888 190 H GLY 25 H GLY 25 -8.974 -7.836 -0.068 191 HA2 GLY 25 HA2 GLY 25 -10.091 -6.748 -1.791 192 HA3 GLY 25 HA3 GLY 25 -11.575 -6.735 -0.835 193 H VAL 26 H VAL 26 -8.653 -5.442 0.580 194 HA VAL 26 HA VAL 26 -8.329 -3.472 1.636 195 HB VAL 26 HB VAL 26 -7.038 -3.234 -0.257 196 HG11 VAL 26 HG11 VAL 26 -9.338 -1.920 -1.737 197 HG12 VAL 26 HG12 VAL 26 -7.643 -1.957 -2.265 198 HG13 VAL 26 HG13 VAL 26 -8.551 -3.462 -2.126 199 HG21 VAL 26 HG21 VAL 26 -8.340 -0.547 0.256 200 HG22 VAL 26 HG22 VAL 26 -7.158 -1.341 1.332 201 HG23 VAL 26 HG23 VAL 26 -6.699 -0.856 -0.307 202 HA PRO 27 HA PRO 27 -12.762 -3.011 2.435 203 HB2 PRO 27 HB2 PRO 27 -11.906 -1.811 5.017 204 HB3 PRO 27 HB3 PRO 27 -13.030 -2.705 4.767 205 HG2 PRO 27 HG2 PRO 27 -10.939 -4.200 5.390 206 HG3 PRO 27 HG3 PRO 27 -11.819 -4.701 4.266 207 HD2 PRO 27 HD2 PRO 27 -9.178 -3.499 3.632 208 HD3 PRO 27 HD3 PRO 27 -9.888 -4.646 2.977 209 H LEU 28 H LEU 28 -10.670 -0.118 2.950 210 HA LEU 28 HA LEU 28 -12.805 1.767 2.778 211 HB2 LEU 28 HB2 LEU 28 -11.095 3.400 2.748 212 HB3 LEU 28 HB3 LEU 28 -10.844 2.368 3.926 213 HG LEU 28 HG LEU 28 -8.797 3.169 2.897 214 HD11 LEU 28 HD11 LEU 28 -7.550 1.146 2.818 215 HD12 LEU 28 HD12 LEU 28 -8.975 0.177 2.437 216 HD13 LEU 28 HD13 LEU 28 -8.820 0.954 4.035 217 HD21 LEU 28 HD21 LEU 28 -9.551 3.303 0.534 218 HD22 LEU 28 HD22 LEU 28 -9.439 1.532 0.430 219 HD23 LEU 28 HD23 LEU 28 -7.989 2.494 0.747 220 H SER 29 H SER 29 -11.564 -0.078 0.264 221 HA SER 29 HA SER 29 -12.935 1.609 -1.772 222 HB2 SER 29 HB2 SER 29 -10.290 0.237 -2.301 223 HB3 SER 29 HB3 SER 29 -11.189 0.834 -3.411 224 HG SER 29 HG SER 29 -9.632 2.335 -2.672 225 H GLU 30 H GLU 30 -13.505 -1.026 -0.126 226 HA GLU 30 HA GLU 30 -13.750 -3.145 -2.047 227 HB2 GLU 30 HB2 GLU 30 -14.217 -2.879 0.703 228 HB3 GLU 30 HB3 GLU 30 -15.673 -2.959 0.228 229 HG2 GLU 30 HG2 GLU 30 -14.863 -5.150 -1.107 230 HG3 GLU 30 HG3 GLU 30 -13.570 -5.080 -0.309 231 HA PRO 31 HA PRO 31 -17.373 -1.711 -4.319 232 HB2 PRO 31 HB2 PRO 31 -18.308 -4.462 -4.771 233 HB3 PRO 31 HB3 PRO 31 -18.121 -3.384 -5.745 234 HG2 PRO 31 HG2 PRO 31 -15.963 -4.937 -5.753 235 HG3 PRO 31 HG3 PRO 31 -15.755 -3.445 -5.919 236 HD2 PRO 31 HD2 PRO 31 -15.149 -4.733 -3.294 237 HD3 PRO 31 HD3 PRO 31 -14.392 -3.676 -4.040 238 HA PRO 32 HA PRO 32 -20.836 -3.318 -1.270 239 HB2 PRO 32 HB2 PRO 32 -19.433 -4.238 1.153 240 HB3 PRO 32 HB3 PRO 32 -20.678 -4.743 0.581 241 HG2 PRO 32 HG2 PRO 32 -18.712 -6.319 -0.229 242 HG3 PRO 32 HG3 PRO 32 -19.745 -5.969 -1.265 243 HD2 PRO 32 HD2 PRO 32 -17.117 -4.499 -1.276 244 HD3 PRO 32 HD3 PRO 32 -17.815 -5.163 -2.397 245 H GLN 33 H GLN 33 -17.904 -1.560 -0.416 246 HA GLN 33 HA GLN 33 -19.429 0.396 1.250 247 HB2 GLN 33 HB2 GLN 33 -16.466 0.114 0.846 248 HB3 GLN 33 HB3 GLN 33 -17.075 1.399 1.506 249 HG2 GLN 33 HG2 GLN 33 -16.792 0.217 3.470 250 HG3 GLN 33 HG3 GLN 33 -18.279 0.009 3.269 251 HE21 GLN 33 HE21 GLN 33 -15.174 -1.649 2.606 252 HE22 GLN 33 HE22 GLN 33 -15.828 -3.285 2.679 253 H ALA 34 H ALA 34 -18.983 -0.111 -1.969 254 HA ALA 34 HA ALA 34 -18.799 1.088 -3.854 255 HB1 ALA 34 HB1 ALA 34 -20.486 2.838 -4.051 256 HB2 ALA 34 HB2 ALA 34 -21.097 1.494 -3.072 257 HB3 ALA 34 HB3 ALA 34 -20.566 2.998 -2.282 258 H LEU 35 H LEU 35 -16.527 1.527 -2.242 259 HA LEU 35 HA LEU 35 -14.689 2.794 -1.937 260 HB2 LEU 35 HB2 LEU 35 -15.427 4.109 -4.518 261 HB3 LEU 35 HB3 LEU 35 -14.026 4.320 -3.808 262 HG LEU 35 HG LEU 35 -13.449 1.915 -3.972 263 HD11 LEU 35 HD11 LEU 35 -14.653 0.566 -5.728 264 HD12 LEU 35 HD12 LEU 35 -15.979 1.751 -5.668 265 HD13 LEU 35 HD13 LEU 35 -15.567 0.759 -4.244 266 HD21 LEU 35 HD21 LEU 35 -12.930 2.029 -6.368 267 HD22 LEU 35 HD22 LEU 35 -12.678 3.596 -5.593 268 HD23 LEU 35 HD23 LEU 35 -14.132 3.324 -6.581 269 HN1 NH2 36 H1 NHE 36 -17.277 3.890 -0.726 270 HN2 NH2 36 H2 NHE 36 -16.835 5.538 -0.323 Start of MODEL 11 1 H1 ARG 1 H1 ARG 1 8.345 11.012 -4.979 2 H2 ARG 1 H2 ARG 1 7.946 9.621 -4.220 3 H3 ARG 1 H3 ARG 1 8.872 9.582 -5.570 4 HA ARG 1 HA ARG 1 9.688 10.793 -3.001 5 HB2 ARG 1 HB2 ARG 1 10.448 8.132 -4.167 6 HB3 ARG 1 HB3 ARG 1 11.503 8.847 -3.287 7 HG2 ARG 1 HG2 ARG 1 8.839 8.051 -2.152 8 HG3 ARG 1 HG3 ARG 1 10.168 7.275 -1.965 9 HD2 ARG 1 HD2 ARG 1 11.088 9.644 -0.962 10 HD3 ARG 1 HD3 ARG 1 9.621 10.052 -0.876 11 HE ARG 1 HE ARG 1 9.554 7.512 0.308 12 HH11 ARG 1 HH11 ARG 1 11.079 10.594 1.045 13 HH12 ARG 1 HH12 ARG 1 11.387 10.134 2.696 14 HH21 ARG 1 HH21 ARG 1 10.158 6.940 2.297 15 HH22 ARG 1 HH22 ARG 1 10.810 8.120 3.426 16 H ASP 2 H ASP 2 11.071 12.423 -3.268 17 HA ASP 2 HA ASP 2 12.504 12.893 -5.733 18 HB2 ASP 2 HB2 ASP 2 11.758 14.678 -4.069 19 HB3 ASP 2 HB3 ASP 2 12.693 14.198 -3.000 20 HA PRO 3 HA PRO 3 16.492 11.509 -3.605 21 HB2 PRO 3 HB2 PRO 3 16.744 10.520 -1.157 22 HB3 PRO 3 HB3 PRO 3 16.478 11.998 -1.351 23 HG2 PRO 3 HG2 PRO 3 14.255 10.197 -0.502 24 HG3 PRO 3 HG3 PRO 3 14.596 11.512 0.032 25 HD2 PRO 3 HD2 PRO 3 12.766 11.710 -1.957 26 HD3 PRO 3 HD3 PRO 3 13.771 12.841 -1.704 27 H LEU 4 H LEU 4 13.853 9.223 -3.011 28 HA LEU 4 HA LEU 4 13.635 6.976 -3.125 29 HB2 LEU 4 HB2 LEU 4 13.951 8.065 -5.680 30 HB3 LEU 4 HB3 LEU 4 14.943 6.951 -5.823 31 HG LEU 4 HG LEU 4 12.085 6.426 -4.868 32 HD11 LEU 4 HD11 LEU 4 12.175 7.276 -7.176 33 HD12 LEU 4 HD12 LEU 4 11.684 5.575 -7.138 34 HD13 LEU 4 HD13 LEU 4 13.345 6.008 -7.607 35 HD21 LEU 4 HD21 LEU 4 14.182 4.434 -5.819 36 HD22 LEU 4 HD22 LEU 4 12.484 4.064 -5.437 37 HD23 LEU 4 HD23 LEU 4 13.580 4.599 -4.157 38 H LEU 5 H LEU 5 15.881 7.495 -1.590 39 HA LEU 5 HA LEU 5 18.233 6.127 -2.420 40 HB2 LEU 5 HB2 LEU 5 17.526 7.798 -0.288 41 HB3 LEU 5 HB3 LEU 5 17.673 6.524 0.509 42 HG LEU 5 HG LEU 5 19.898 7.553 -1.319 43 HD11 LEU 5 HD11 LEU 5 19.434 9.023 0.609 44 HD12 LEU 5 HD12 LEU 5 21.006 8.229 0.766 45 HD13 LEU 5 HD13 LEU 5 19.618 7.642 1.714 46 HD21 LEU 5 HD21 LEU 5 20.228 5.170 -1.041 47 HD22 LEU 5 HD22 LEU 5 19.922 5.280 0.711 48 HD23 LEU 5 HD23 LEU 5 21.378 6.009 -0.007 49 H ASP 6 H ASP 6 15.558 5.054 -0.329 50 HA ASP 6 HA ASP 6 16.320 2.209 -0.797 51 HB2 ASP 6 HB2 ASP 6 17.098 3.234 1.538 52 HB3 ASP 6 HB3 ASP 6 15.643 3.325 1.947 53 H ALA 7 H ALA 7 13.928 4.408 -1.159 54 HA ALA 7 HA ALA 7 11.617 3.321 0.013 55 HB1 ALA 7 HB1 ALA 7 11.780 5.578 -0.930 56 HB2 ALA 7 HB2 ALA 7 11.898 4.904 -2.573 57 HB3 ALA 7 HB3 ALA 7 10.415 4.693 -1.630 58 H NLE 8 H NLE 8 13.219 2.355 -3.007 59 HA NLE 8 HA NLE 8 11.148 0.906 -4.189 60 HB2 NLE 8 HB2 NLE 8 12.693 -0.029 -5.633 61 HB3 NLE 8 HB3 NLE 8 13.334 1.550 -5.252 62 HG2 NLE 8 HG2 NLE 8 14.290 -1.135 -4.140 63 HG3 NLE 8 HG3 NLE 8 15.060 -0.214 -5.411 64 HD2 NLE 8 HD2 NLE 8 14.853 0.659 -2.499 65 HD3 NLE 8 HD3 NLE 8 16.262 -0.037 -3.291 66 HE1 NLE 8 HE1 NLE 8 16.563 2.357 -3.185 67 HE2 NLE 8 HE2 NLE 8 16.310 1.908 -4.880 68 HE3 NLE 8 HE3 NLE 8 14.993 2.652 -3.943 69 H ARG 9 H ARG 9 13.009 -0.061 -1.406 70 HA ARG 9 HA ARG 9 12.013 -2.880 -1.522 71 HB2 ARG 9 HB2 ARG 9 13.633 -1.674 0.702 72 HB3 ARG 9 HB3 ARG 9 13.240 -3.168 0.587 73 HG2 ARG 9 HG2 ARG 9 14.575 -3.104 -1.744 74 HG3 ARG 9 HG3 ARG 9 15.105 -1.741 -1.352 75 HD2 ARG 9 HD2 ARG 9 15.740 -4.196 0.295 76 HD3 ARG 9 HD3 ARG 9 16.721 -3.423 -0.603 77 HE ARG 9 HE ARG 9 16.265 -1.344 0.925 78 HH11 ARG 9 HH11 ARG 9 16.495 -4.641 2.116 79 HH12 ARG 9 HH12 ARG 9 16.804 -4.102 3.745 80 HH21 ARG 9 HH21 ARG 9 16.473 -0.750 2.977 81 HH22 ARG 9 HH22 ARG 9 16.848 -1.934 4.216 82 H ARG 10 H ARG 10 11.971 -0.302 0.924 83 HA ARG 10 HA ARG 10 9.920 -1.564 2.467 84 HB2 ARG 10 HB2 ARG 10 10.314 0.305 3.961 85 HB3 ARG 10 HB3 ARG 10 11.667 -0.285 3.471 86 HG2 ARG 10 HG2 ARG 10 11.219 1.844 1.645 87 HG3 ARG 10 HG3 ARG 10 10.524 2.413 2.854 88 HD2 ARG 10 HD2 ARG 10 13.434 1.566 2.990 89 HD3 ARG 10 HD3 ARG 10 12.947 3.020 2.824 90 HE ARG 10 HE ARG 10 11.622 2.543 5.090 91 HH11 ARG 10 HH11 ARG 10 14.927 1.499 4.330 92 HH12 ARG 10 HH12 ARG 10 15.394 1.619 6.005 93 HH21 ARG 10 HH21 ARG 10 12.331 2.609 7.180 94 HH22 ARG 10 HH22 ARG 10 13.979 2.205 7.559 95 H GLU 11 H GLU 11 9.670 1.429 0.512 96 HA GLU 11 HA GLU 11 6.761 1.585 0.969 97 HB2 GLU 11 HB2 GLU 11 8.500 3.294 -0.800 98 HB3 GLU 11 HB3 GLU 11 6.994 3.499 -0.710 99 HG2 GLU 11 HG2 GLU 11 7.039 4.058 1.685 100 HG3 GLU 11 HG3 GLU 11 8.364 3.366 1.981 101 H GLY 12 H GLY 12 8.957 0.453 -1.589 102 HA2 GLY 12 HA2 GLY 12 7.090 -0.191 -3.614 103 HA3 GLY 12 HA3 GLY 12 8.581 -1.077 -3.270 104 H ALA 13 H ALA 13 8.042 -2.186 -0.738 105 HA ALA 13 HA ALA 13 6.240 -4.342 -1.289 106 HB1 ALA 13 HB1 ALA 13 8.181 -4.559 0.186 107 HB2 ALA 13 HB2 ALA 13 7.468 -3.401 1.335 108 HB3 ALA 13 HB3 ALA 13 6.689 -4.974 1.049 109 H NLE 14 H NLE 14 5.849 -1.470 0.859 110 HA NLE 14 HA NLE 14 3.226 -2.090 1.747 111 HB2 NLE 14 HB2 NLE 14 4.659 0.565 1.442 112 HB3 NLE 14 HB3 NLE 14 3.053 0.405 2.166 113 HG2 NLE 14 HG2 NLE 14 3.937 -1.201 3.833 114 HG3 NLE 14 HG3 NLE 14 5.562 -1.001 3.189 115 HD2 NLE 14 HD2 NLE 14 3.865 1.203 4.443 116 HD3 NLE 14 HD3 NLE 14 5.153 0.308 5.252 117 HE1 NLE 14 HE1 NLE 14 6.805 1.215 3.608 118 HE2 NLE 14 HE2 NLE 14 5.504 2.197 2.885 119 HE3 NLE 14 HE3 NLE 14 6.000 2.475 4.561 120 H ASP 15 H ASP 15 4.253 -0.452 -1.248 121 HA ASP 15 HA ASP 15 1.692 0.369 -2.153 122 HB2 ASP 15 HB2 ASP 15 4.062 0.926 -3.109 123 HB3 ASP 15 HB3 ASP 15 4.123 -0.424 -3.790 124 H PHE 16 H PHE 16 2.954 -2.898 -2.016 125 HA PHE 16 HA PHE 16 0.573 -3.784 -3.596 126 HB2 PHE 16 HB2 PHE 16 1.738 -5.648 -4.369 127 HB3 PHE 16 HB3 PHE 16 2.564 -4.386 -4.759 128 HD1 PHE 16 HD1 PHE 16 2.465 -6.954 -1.974 129 HD2 PHE 16 HD2 PHE 16 4.889 -4.457 -4.524 130 HE1 PHE 16 HE1 PHE 16 4.509 -8.067 -1.125 131 HE2 PHE 16 HE2 PHE 16 6.928 -5.610 -3.708 132 HZ PHE 16 HZ PHE 16 6.744 -7.411 -1.999 133 H TRP 17 H TRP 17 1.926 -3.842 -0.405 134 HA TRP 17 HA TRP 17 0.043 -5.843 0.605 135 HB2 TRP 17 HB2 TRP 17 1.953 -4.917 1.989 136 HB3 TRP 17 HB3 TRP 17 1.431 -3.467 1.891 137 HD1 TRP 17 HD1 TRP 17 0.102 -2.596 3.852 138 HE1 TRP 17 HE1 TRP 17 -1.311 -3.573 5.761 139 HE3 TRP 17 HE3 TRP 17 0.189 -7.537 2.483 140 HZ2 TRP 17 HZ2 TRP 17 -2.272 -6.159 6.592 141 HZ3 TRP 17 HZ3 TRP 17 -0.984 -9.239 3.863 142 HH2 TRP 17 HH2 TRP 17 -2.190 -8.569 5.928 143 H SER 18 H SER 18 -0.057 -2.249 0.380 144 HA SER 18 HA SER 18 -2.741 -1.963 1.281 145 HB2 SER 18 HB2 SER 18 -2.424 0.387 0.536 146 HB3 SER 18 HB3 SER 18 -1.199 -0.107 1.332 147 HG SER 18 HG SER 18 0.017 -0.312 -0.471 148 H ALA 19 H ALA 19 -1.636 -2.982 -1.848 149 HA ALA 19 HA ALA 19 -3.936 -2.364 -3.418 150 HB1 ALA 19 HB1 ALA 19 -1.739 -3.070 -4.322 151 HB2 ALA 19 HB2 ALA 19 -1.991 -4.699 -3.646 152 HB3 ALA 19 HB3 ALA 19 -3.059 -4.089 -4.922 153 H GLY 20 H GLY 20 -3.606 -4.653 -0.833 154 HA2 GLY 20 HA2 GLY 20 -6.377 -5.681 -1.380 155 HA3 GLY 20 HA3 GLY 20 -5.070 -6.775 -0.923 156 H ABA 21 H ABU 21 -3.961 -4.726 0.981 157 HA ABA 21 HA ABU 21 -3.916 -4.420 3.201 158 HB3 ABA 21 HB3 ABU 21 -6.628 -3.174 2.674 159 HB2 ABA 21 HB2 ABU 21 -5.086 -2.465 2.189 160 HG1 ABA 21 HG1 ABU 21 -5.845 -1.473 4.288 161 HG3 ABA 21 HG3 ABU 21 -4.350 -2.395 4.556 162 HG2 ABA 21 HG2 ABU 21 -5.919 -3.069 5.060 163 H TYR 22 H TYR 22 -3.855 -6.495 3.997 164 HA TYR 22 HA TYR 22 -4.397 -8.335 5.155 165 HB2 TYR 22 HB2 TYR 22 -7.149 -7.427 5.795 166 HB3 TYR 22 HB3 TYR 22 -6.366 -8.596 6.499 167 HD1 TYR 22 HD1 TYR 22 -4.174 -8.120 7.795 168 HD2 TYR 22 HD2 TYR 22 -7.053 -5.107 6.680 169 HE1 TYR 22 HE1 TYR 22 -3.361 -6.653 9.643 170 HE2 TYR 22 HE2 TYR 22 -6.249 -3.649 8.531 171 HH TYR 22 HH TYR 22 -4.808 -3.439 10.300 172 H ALA 23 H ALA 23 -5.021 -7.923 2.231 173 HA ALA 23 HA ALA 23 -6.123 -8.828 0.464 174 HB1 ALA 23 HB1 ALA 23 -6.048 -11.262 0.324 175 HB2 ALA 23 HB2 ALA 23 -4.569 -10.634 1.072 176 HB3 ALA 23 HB3 ALA 23 -5.825 -11.386 2.082 177 H ARG 24 H ARG 24 -7.801 -7.475 1.951 178 HA ARG 24 HA ARG 24 -10.326 -9.021 2.417 179 HB2 ARG 24 HB2 ARG 24 -9.088 -8.170 4.376 180 HB3 ARG 24 HB3 ARG 24 -8.965 -6.694 3.805 181 HG2 ARG 24 HG2 ARG 24 -10.660 -6.642 5.506 182 HG3 ARG 24 HG3 ARG 24 -11.217 -6.129 4.185 183 HD2 ARG 24 HD2 ARG 24 -12.229 -8.602 3.866 184 HD3 ARG 24 HD3 ARG 24 -11.703 -8.935 5.269 185 HE ARG 24 HE ARG 24 -13.425 -7.743 6.265 186 HH11 ARG 24 HH11 ARG 24 -13.101 -6.491 2.992 187 HH12 ARG 24 HH12 ARG 24 -14.543 -5.508 3.133 188 HH21 ARG 24 HH21 ARG 24 -15.242 -6.412 6.363 189 HH22 ARG 24 HH22 ARG 24 -15.675 -5.462 4.967 190 H GLY 25 H GLY 25 -9.222 -7.299 0.015 191 HA2 GLY 25 HA2 GLY 25 -10.315 -6.207 -1.719 192 HA3 GLY 25 HA3 GLY 25 -11.810 -6.196 -0.779 193 H VAL 26 H VAL 26 -8.896 -4.899 0.644 194 HA VAL 26 HA VAL 26 -8.580 -2.922 1.700 195 HB VAL 26 HB VAL 26 -7.228 -2.796 -0.161 196 HG11 VAL 26 HG11 VAL 26 -9.426 -1.426 -1.738 197 HG12 VAL 26 HG12 VAL 26 -7.724 -1.554 -2.219 198 HG13 VAL 26 HG13 VAL 26 -8.704 -3.014 -2.062 199 HG21 VAL 26 HG21 VAL 26 -8.409 -0.035 0.219 200 HG22 VAL 26 HG22 VAL 26 -7.331 -0.848 1.380 201 HG23 VAL 26 HG23 VAL 26 -6.757 -0.457 -0.247 202 HA PRO 27 HA PRO 27 -12.998 -2.355 2.391 203 HB2 PRO 27 HB2 PRO 27 -12.183 -1.002 4.911 204 HB3 PRO 27 HB3 PRO 27 -13.310 -1.903 4.695 205 HG2 PRO 27 HG2 PRO 27 -11.239 -3.368 5.442 206 HG3 PRO 27 HG3 PRO 27 -12.103 -3.931 4.338 207 HD2 PRO 27 HD2 PRO 27 -9.443 -2.796 3.670 208 HD3 PRO 27 HD3 PRO 27 -10.163 -3.965 3.067 209 H LEU 28 H LEU 28 -10.931 0.572 2.784 210 HA LEU 28 HA LEU 28 -13.062 2.438 2.484 211 HB2 LEU 28 HB2 LEU 28 -11.336 4.068 2.364 212 HB3 LEU 28 HB3 LEU 28 -11.124 3.117 3.612 213 HG LEU 28 HG LEU 28 -9.050 3.834 2.555 214 HD11 LEU 28 HD11 LEU 28 -7.812 1.817 2.699 215 HD12 LEU 28 HD12 LEU 28 -9.218 0.813 2.341 216 HD13 LEU 28 HD13 LEU 28 -9.126 1.714 3.880 217 HD21 LEU 28 HD21 LEU 28 -9.756 3.761 0.176 218 HD22 LEU 28 HD22 LEU 28 -9.666 1.987 0.233 219 HD23 LEU 28 HD23 LEU 28 -8.208 2.957 0.489 220 H SER 29 H SER 29 -11.796 0.469 0.065 221 HA SER 29 HA SER 29 -13.120 2.105 -2.055 222 HB2 SER 29 HB2 SER 29 -10.600 0.506 -2.531 223 HB3 SER 29 HB3 SER 29 -11.459 1.136 -3.653 224 HG SER 29 HG SER 29 -9.765 2.520 -2.977 225 H GLU 30 H GLU 30 -13.744 -0.479 -0.253 226 HA GLU 30 HA GLU 30 -14.205 -2.593 -2.163 227 HB2 GLU 30 HB2 GLU 30 -14.308 -2.387 0.616 228 HB3 GLU 30 HB3 GLU 30 -15.817 -2.368 0.340 229 HG2 GLU 30 HG2 GLU 30 -15.317 -4.570 -1.131 230 HG3 GLU 30 HG3 GLU 30 -13.932 -4.592 -0.497 231 HA PRO 31 HA PRO 31 -18.023 -1.051 -4.003 232 HB2 PRO 31 HB2 PRO 31 -19.055 -3.788 -4.358 233 HB3 PRO 31 HB3 PRO 31 -18.976 -2.700 -5.338 234 HG2 PRO 31 HG2 PRO 31 -16.856 -4.273 -5.623 235 HG3 PRO 31 HG3 PRO 31 -16.643 -2.783 -5.790 236 HD2 PRO 31 HD2 PRO 31 -15.752 -4.117 -3.272 237 HD3 PRO 31 HD3 PRO 31 -15.077 -3.057 -4.086 238 HA PRO 32 HA PRO 32 -21.190 -2.623 -0.629 239 HB2 PRO 32 HB2 PRO 32 -19.572 -3.563 1.647 240 HB3 PRO 32 HB3 PRO 32 -20.867 -4.056 1.193 241 HG2 PRO 32 HG2 PRO 32 -18.997 -5.644 0.200 242 HG3 PRO 32 HG3 PRO 32 -20.121 -5.288 -0.732 243 HD2 PRO 32 HD2 PRO 32 -17.500 -3.831 -0.990 244 HD3 PRO 32 HD3 PRO 32 -18.302 -4.490 -2.042 245 H GLN 33 H GLN 33 -18.184 -0.878 -0.090 246 HA GLN 33 HA GLN 33 -19.552 1.104 1.687 247 HB2 GLN 33 HB2 GLN 33 -16.622 0.764 1.134 248 HB3 GLN 33 HB3 GLN 33 -17.177 2.040 1.853 249 HG2 GLN 33 HG2 GLN 33 -16.809 0.805 3.774 250 HG3 GLN 33 HG3 GLN 33 -18.309 0.632 3.647 251 HE21 GLN 33 HE21 GLN 33 -15.332 -1.066 2.549 252 HE22 GLN 33 HE22 GLN 33 -15.988 -2.694 2.723 253 H ALA 34 H ALA 34 -19.331 0.582 -1.536 254 HA ALA 34 HA ALA 34 -19.194 1.772 -3.437 255 HB1 ALA 34 HB1 ALA 34 -20.827 3.583 -3.540 256 HB2 ALA 34 HB2 ALA 34 -21.428 2.256 -2.532 257 HB3 ALA 34 HB3 ALA 34 -20.805 3.737 -1.769 258 H LEU 35 H LEU 35 -16.809 2.092 -2.048 259 HA LEU 35 HA LEU 35 -14.887 3.255 -1.911 260 HB2 LEU 35 HB2 LEU 35 -15.835 4.725 -4.332 261 HB3 LEU 35 HB3 LEU 35 -14.353 4.839 -3.775 262 HG LEU 35 HG LEU 35 -13.899 2.440 -4.138 263 HD11 LEU 35 HD11 LEU 35 -15.375 1.212 -5.771 264 HD12 LEU 35 HD12 LEU 35 -16.637 2.430 -5.480 265 HD13 LEU 35 HD13 LEU 35 -16.072 1.360 -4.169 266 HD21 LEU 35 HD21 LEU 35 -13.701 2.655 -6.576 267 HD22 LEU 35 HD22 LEU 35 -13.296 4.178 -5.773 268 HD23 LEU 35 HD23 LEU 35 -14.877 3.990 -6.567 269 HN1 NH2 36 H1 NHE 36 -17.286 4.423 -0.393 270 HN2 NH2 36 H2 NHE 36 -16.708 6.022 0.035 Start of MODEL 12 1 H1 ARG 1 H1 ARG 1 8.336 11.166 -4.586 2 H2 ARG 1 H2 ARG 1 7.993 9.736 -3.868 3 H3 ARG 1 H3 ARG 1 8.913 9.780 -5.224 4 HA ARG 1 HA ARG 1 9.691 10.942 -2.626 5 HB2 ARG 1 HB2 ARG 1 10.603 8.363 -3.883 6 HB3 ARG 1 HB3 ARG 1 11.579 9.085 -2.929 7 HG2 ARG 1 HG2 ARG 1 8.923 8.084 -1.945 8 HG3 ARG 1 HG3 ARG 1 10.288 7.386 -1.727 9 HD2 ARG 1 HD2 ARG 1 11.042 9.705 -0.559 10 HD3 ARG 1 HD3 ARG 1 9.569 10.112 -0.588 11 HE ARG 1 HE ARG 1 9.425 7.541 0.531 12 HH11 ARG 1 HH11 ARG 1 10.804 10.641 1.453 13 HH12 ARG 1 HH12 ARG 1 10.936 10.170 3.125 14 HH21 ARG 1 HH21 ARG 1 9.828 6.959 2.570 15 HH22 ARG 1 HH22 ARG 1 10.327 8.144 3.772 16 H ASP 2 H ASP 2 11.777 11.821 -2.496 17 HA ASP 2 HA ASP 2 13.015 12.625 -5.097 18 HB2 ASP 2 HB2 ASP 2 12.031 14.463 -3.627 19 HB3 ASP 2 HB3 ASP 2 12.897 14.097 -2.451 20 HA PRO 3 HA PRO 3 16.835 11.439 -2.555 21 HB2 PRO 3 HB2 PRO 3 16.845 10.465 -0.080 22 HB3 PRO 3 HB3 PRO 3 16.665 11.952 -0.321 23 HG2 PRO 3 HG2 PRO 3 14.306 10.269 0.379 24 HG3 PRO 3 HG3 PRO 3 14.655 11.586 0.902 25 HD2 PRO 3 HD2 PRO 3 13.001 11.792 -1.228 26 HD3 PRO 3 HD3 PRO 3 14.030 12.891 -0.945 27 H LEU 4 H LEU 4 14.131 9.192 -2.104 28 HA LEU 4 HA LEU 4 13.869 6.957 -2.319 29 HB2 LEU 4 HB2 LEU 4 14.241 8.194 -4.797 30 HB3 LEU 4 HB3 LEU 4 15.200 7.061 -5.003 31 HG LEU 4 HG LEU 4 12.323 6.557 -4.094 32 HD11 LEU 4 HD11 LEU 4 12.438 7.567 -6.336 33 HD12 LEU 4 HD12 LEU 4 11.900 5.883 -6.418 34 HD13 LEU 4 HD13 LEU 4 13.571 6.301 -6.857 35 HD21 LEU 4 HD21 LEU 4 14.365 4.581 -5.188 36 HD22 LEU 4 HD22 LEU 4 12.657 4.231 -4.837 37 HD23 LEU 4 HD23 LEU 4 13.762 4.640 -3.520 38 H LEU 5 H LEU 5 16.136 7.295 -0.737 39 HA LEU 5 HA LEU 5 18.367 5.697 -1.610 40 HB2 LEU 5 HB2 LEU 5 17.649 6.486 1.206 41 HB3 LEU 5 HB3 LEU 5 18.987 5.805 0.852 42 HG LEU 5 HG LEU 5 18.226 8.458 -0.439 43 HD11 LEU 5 HD11 LEU 5 18.452 8.670 2.004 44 HD12 LEU 5 HD12 LEU 5 19.791 9.466 1.164 45 HD13 LEU 5 HD13 LEU 5 20.045 7.882 1.933 46 HD21 LEU 5 HD21 LEU 5 19.911 7.255 -1.760 47 HD22 LEU 5 HD22 LEU 5 20.881 6.964 -0.297 48 HD23 LEU 5 HD23 LEU 5 20.659 8.613 -0.921 49 H ASP 6 H ASP 6 15.466 4.843 0.226 50 HA ASP 6 HA ASP 6 16.087 1.964 -0.175 51 HB2 ASP 6 HB2 ASP 6 16.802 2.956 2.215 52 HB3 ASP 6 HB3 ASP 6 15.330 3.071 2.555 53 H ALA 7 H ALA 7 13.832 4.290 -0.638 54 HA ALA 7 HA ALA 7 11.419 3.339 0.434 55 HB1 ALA 7 HB1 ALA 7 11.736 5.564 -0.551 56 HB2 ALA 7 HB2 ALA 7 11.871 4.838 -2.172 57 HB3 ALA 7 HB3 ALA 7 10.352 4.725 -1.272 58 H NLE 8 H NLE 8 13.091 2.268 -2.512 59 HA NLE 8 HA NLE 8 11.030 0.823 -3.719 60 HB2 NLE 8 HB2 NLE 8 12.603 -0.162 -5.099 61 HB3 NLE 8 HB3 NLE 8 13.252 1.418 -4.731 62 HG2 NLE 8 HG2 NLE 8 14.143 -1.256 -3.541 63 HG3 NLE 8 HG3 NLE 8 14.964 -0.363 -4.803 64 HD2 NLE 8 HD2 NLE 8 14.672 0.554 -1.911 65 HD3 NLE 8 HD3 NLE 8 16.100 -0.166 -2.645 66 HE1 NLE 8 HE1 NLE 8 16.412 2.234 -2.555 67 HE2 NLE 8 HE2 NLE 8 16.235 1.753 -4.250 68 HE3 NLE 8 HE3 NLE 8 14.880 2.522 -3.392 69 H ARG 9 H ARG 9 12.750 -0.089 -0.835 70 HA ARG 9 HA ARG 9 11.659 -2.884 -0.922 71 HB2 ARG 9 HB2 ARG 9 13.332 -1.719 1.282 72 HB3 ARG 9 HB3 ARG 9 12.850 -3.190 1.204 73 HG2 ARG 9 HG2 ARG 9 14.198 -3.255 -1.127 74 HG3 ARG 9 HG3 ARG 9 14.817 -1.928 -0.745 75 HD2 ARG 9 HD2 ARG 9 15.271 -4.406 0.930 76 HD3 ARG 9 HD3 ARG 9 16.310 -3.700 0.050 77 HE ARG 9 HE ARG 9 15.900 -1.583 1.571 78 HH11 ARG 9 HH11 ARG 9 16.103 -4.890 2.729 79 HH12 ARG 9 HH12 ARG 9 16.410 -4.371 4.364 80 HH21 ARG 9 HH21 ARG 9 16.085 -1.009 3.631 81 HH22 ARG 9 HH22 ARG 9 16.463 -2.205 4.859 82 H ARG 10 H ARG 10 11.713 -0.223 1.449 83 HA ARG 10 HA ARG 10 9.621 -1.363 3.028 84 HB2 ARG 10 HB2 ARG 10 10.043 0.556 4.444 85 HB3 ARG 10 HB3 ARG 10 11.389 -0.056 3.977 86 HG2 ARG 10 HG2 ARG 10 10.928 1.987 2.052 87 HG3 ARG 10 HG3 ARG 10 10.250 2.614 3.241 88 HD2 ARG 10 HD2 ARG 10 13.153 1.741 3.401 89 HD3 ARG 10 HD3 ARG 10 12.687 3.192 3.132 90 HE ARG 10 HE ARG 10 11.402 2.977 5.418 91 HH11 ARG 10 HH11 ARG 10 14.575 1.499 4.796 92 HH12 ARG 10 HH12 ARG 10 15.059 1.758 6.450 93 HH21 ARG 10 HH21 ARG 10 12.127 3.193 7.487 94 HH22 ARG 10 HH22 ARG 10 13.721 2.651 7.918 95 H GLU 11 H GLU 11 9.433 1.428 0.797 96 HA GLU 11 HA GLU 11 6.508 1.656 1.242 97 HB2 GLU 11 HB2 GLU 11 8.286 3.301 -0.548 98 HB3 GLU 11 HB3 GLU 11 6.778 3.498 -0.508 99 HG2 GLU 11 HG2 GLU 11 6.746 4.199 1.833 100 HG3 GLU 11 HG3 GLU 11 8.020 3.471 2.238 101 H GLY 12 H GLY 12 8.771 0.389 -1.185 102 HA2 GLY 12 HA2 GLY 12 6.963 -0.372 -3.227 103 HA3 GLY 12 HA3 GLY 12 8.428 -1.252 -2.768 104 H ALA 13 H ALA 13 7.786 -2.155 -0.179 105 HA ALA 13 HA ALA 13 5.981 -4.324 -0.618 106 HB1 ALA 13 HB1 ALA 13 7.858 -4.426 0.952 107 HB2 ALA 13 HB2 ALA 13 7.105 -3.175 1.969 108 HB3 ALA 13 HB3 ALA 13 6.328 -4.763 1.782 109 H NLE 14 H NLE 14 5.507 -1.262 1.231 110 HA NLE 14 HA NLE 14 2.835 -1.794 2.042 111 HB2 NLE 14 HB2 NLE 14 4.286 0.823 1.547 112 HB3 NLE 14 HB3 NLE 14 2.642 0.726 2.193 113 HG2 NLE 14 HG2 NLE 14 3.441 -0.700 4.061 114 HG3 NLE 14 HG3 NLE 14 5.099 -0.533 3.492 115 HD2 NLE 14 HD2 NLE 14 3.298 1.748 4.423 116 HD3 NLE 14 HD3 NLE 14 4.555 0.969 5.385 117 HE1 NLE 14 HE1 NLE 14 6.278 1.745 3.749 118 HE2 NLE 14 HE2 NLE 14 5.002 2.617 2.859 119 HE3 NLE 14 HE3 NLE 14 5.398 3.076 4.522 120 H ASP 15 H ASP 15 4.047 -0.456 -1.034 121 HA ASP 15 HA ASP 15 1.536 0.241 -2.170 122 HB2 ASP 15 HB2 ASP 15 3.962 0.732 -3.031 123 HB3 ASP 15 HB3 ASP 15 4.061 -0.674 -3.585 124 H PHE 16 H PHE 16 2.816 -2.974 -1.626 125 HA PHE 16 HA PHE 16 0.537 -4.049 -3.234 126 HB2 PHE 16 HB2 PHE 16 1.765 -5.993 -3.720 127 HB3 PHE 16 HB3 PHE 16 2.527 -4.746 -4.273 128 HD1 PHE 16 HD1 PHE 16 2.560 -6.865 -1.121 129 HD2 PHE 16 HD2 PHE 16 4.843 -4.733 -4.099 130 HE1 PHE 16 HE1 PHE 16 4.661 -7.770 -0.166 131 HE2 PHE 16 HE2 PHE 16 6.937 -5.674 -3.165 132 HZ PHE 16 HZ PHE 16 6.853 -7.195 -1.196 133 H TRP 17 H TRP 17 1.680 -3.748 0.011 134 HA TRP 17 HA TRP 17 -0.261 -5.663 1.090 135 HB2 TRP 17 HB2 TRP 17 1.548 -4.559 2.503 136 HB3 TRP 17 HB3 TRP 17 0.994 -3.147 2.242 137 HD1 TRP 17 HD1 TRP 17 -0.603 -2.160 3.954 138 HE1 TRP 17 HE1 TRP 17 -2.118 -3.033 5.834 139 HE3 TRP 17 HE3 TRP 17 -0.043 -7.196 3.173 140 HZ2 TRP 17 HZ2 TRP 17 -2.998 -5.587 6.853 141 HZ3 TRP 17 HZ3 TRP 17 -1.230 -8.827 4.625 142 HH2 TRP 17 HH2 TRP 17 -2.687 -8.038 6.472 143 H SER 18 H SER 18 -0.342 -2.102 0.529 144 HA SER 18 HA SER 18 -3.096 -1.771 1.172 145 HB2 SER 18 HB2 SER 18 -2.720 0.518 0.293 146 HB3 SER 18 HB3 SER 18 -1.553 0.093 1.206 147 HG SER 18 HG SER 18 -0.215 -0.247 -0.494 148 H ALA 19 H ALA 19 -1.721 -3.025 -1.757 149 HA ALA 19 HA ALA 19 -3.863 -2.548 -3.573 150 HB1 ALA 19 HB1 ALA 19 -1.609 -3.333 -4.218 151 HB2 ALA 19 HB2 ALA 19 -1.919 -4.891 -3.410 152 HB3 ALA 19 HB3 ALA 19 -2.873 -4.414 -4.828 153 H GLY 20 H GLY 20 -3.800 -4.612 -0.779 154 HA2 GLY 20 HA2 GLY 20 -6.528 -5.633 -1.468 155 HA3 GLY 20 HA3 GLY 20 -5.267 -6.776 -1.006 156 H ABA 21 H ABU 21 -4.260 -4.641 0.987 157 HA ABA 21 HA ABU 21 -4.293 -4.440 3.221 158 HB3 ABA 21 HB3 ABU 21 -7.018 -3.239 2.661 159 HB2 ABA 21 HB2 ABU 21 -5.487 -2.488 2.206 160 HG1 ABA 21 HG1 ABU 21 -6.295 -1.561 4.320 161 HG3 ABA 21 HG3 ABU 21 -4.777 -2.445 4.578 162 HG2 ABA 21 HG2 ABU 21 -6.330 -3.174 5.056 163 H TYR 22 H TYR 22 -4.218 -6.561 3.879 164 HA TYR 22 HA TYR 22 -4.723 -8.393 5.076 165 HB2 TYR 22 HB2 TYR 22 -7.580 -7.663 5.461 166 HB3 TYR 22 HB3 TYR 22 -6.814 -8.828 6.202 167 HD1 TYR 22 HD1 TYR 22 -4.778 -8.315 7.708 168 HD2 TYR 22 HD2 TYR 22 -7.709 -5.401 6.476 169 HE1 TYR 22 HE1 TYR 22 -4.215 -6.908 9.689 170 HE2 TYR 22 HE2 TYR 22 -7.161 -4.006 8.462 171 HH TYR 22 HH TYR 22 -5.898 -3.814 10.364 172 H ALA 23 H ALA 23 -5.108 -8.021 2.099 173 HA ALA 23 HA ALA 23 -5.978 -9.008 0.247 174 HB1 ALA 23 HB1 ALA 23 -5.763 -11.434 0.133 175 HB2 ALA 23 HB2 ALA 23 -4.392 -10.724 1.006 176 HB3 ALA 23 HB3 ALA 23 -5.692 -11.540 1.905 177 H ARG 24 H ARG 24 -7.836 -7.730 1.516 178 HA ARG 24 HA ARG 24 -10.339 -9.359 1.788 179 HB2 ARG 24 HB2 ARG 24 -9.302 -8.556 3.858 180 HB3 ARG 24 HB3 ARG 24 -9.085 -7.069 3.327 181 HG2 ARG 24 HG2 ARG 24 -10.904 -6.988 4.880 182 HG3 ARG 24 HG3 ARG 24 -11.354 -6.457 3.524 183 HD2 ARG 24 HD2 ARG 24 -12.391 -8.905 3.116 184 HD3 ARG 24 HD3 ARG 24 -11.971 -9.259 4.549 185 HE ARG 24 HE ARG 24 -13.736 -8.044 5.433 186 HH11 ARG 24 HH11 ARG 24 -13.164 -6.769 2.205 187 HH12 ARG 24 HH12 ARG 24 -14.602 -5.770 2.251 188 HH21 ARG 24 HH21 ARG 24 -15.535 -6.687 5.418 189 HH22 ARG 24 HH22 ARG 24 -15.853 -5.715 4.004 190 H GLY 25 H GLY 25 -9.113 -7.630 -0.514 191 HA2 GLY 25 HA2 GLY 25 -10.089 -6.544 -2.315 192 HA3 GLY 25 HA3 GLY 25 -11.643 -6.548 -1.479 193 H VAL 26 H VAL 26 -8.884 -5.192 0.169 194 HA VAL 26 HA VAL 26 -8.636 -3.208 1.190 195 HB VAL 26 HB VAL 26 -7.219 -2.974 -0.600 196 HG11 VAL 26 HG11 VAL 26 -9.446 -1.776 -2.270 197 HG12 VAL 26 HG12 VAL 26 -7.717 -1.726 -2.673 198 HG13 VAL 26 HG13 VAL 26 -8.553 -3.277 -2.572 199 HG21 VAL 26 HG21 VAL 26 -8.597 -0.298 -0.253 200 HG22 VAL 26 HG22 VAL 26 -7.493 -1.046 0.931 201 HG23 VAL 26 HG23 VAL 26 -6.909 -0.598 -0.677 202 HA PRO 27 HA PRO 27 -13.097 -2.678 1.780 203 HB2 PRO 27 HB2 PRO 27 -12.316 -1.392 4.344 204 HB3 PRO 27 HB3 PRO 27 -13.438 -2.289 4.088 205 HG2 PRO 27 HG2 PRO 27 -11.380 -3.765 4.857 206 HG3 PRO 27 HG3 PRO 27 -12.223 -4.309 3.726 207 HD2 PRO 27 HD2 PRO 27 -9.551 -3.154 3.134 208 HD3 PRO 27 HD3 PRO 27 -10.241 -4.323 2.506 209 H LEU 28 H LEU 28 -10.978 0.190 2.349 210 HA LEU 28 HA LEU 28 -13.084 2.084 1.977 211 HB2 LEU 28 HB2 LEU 28 -11.368 3.711 2.118 212 HB3 LEU 28 HB3 LEU 28 -11.257 2.680 3.319 213 HG LEU 28 HG LEU 28 -9.102 3.455 2.523 214 HD11 LEU 28 HD11 LEU 28 -7.873 1.428 2.581 215 HD12 LEU 28 HD12 LEU 28 -9.239 0.470 2.007 216 HD13 LEU 28 HD13 LEU 28 -9.284 1.218 3.627 217 HD21 LEU 28 HD21 LEU 28 -9.592 3.616 0.097 218 HD22 LEU 28 HD22 LEU 28 -9.511 1.846 -0.010 219 HD23 LEU 28 HD23 LEU 28 -8.078 2.771 0.463 220 H SER 29 H SER 29 -11.663 0.221 -0.415 221 HA SER 29 HA SER 29 -12.799 1.976 -2.556 222 HB2 SER 29 HB2 SER 29 -10.305 0.308 -2.974 223 HB3 SER 29 HB3 SER 29 -11.040 1.119 -4.069 224 HG SER 29 HG SER 29 -9.297 2.270 -3.129 225 H GLU 30 H GLU 30 -13.140 -0.951 -0.977 226 HA GLU 30 HA GLU 30 -13.645 -2.863 -2.978 227 HB2 GLU 30 HB2 GLU 30 -13.683 -2.916 -0.272 228 HB3 GLU 30 HB3 GLU 30 -15.182 -2.597 -0.402 229 HG2 GLU 30 HG2 GLU 30 -15.171 -4.765 -2.037 230 HG3 GLU 30 HG3 GLU 30 -13.797 -5.079 -1.451 231 HA PRO 31 HA PRO 31 -17.296 -1.326 -5.044 232 HB2 PRO 31 HB2 PRO 31 -18.381 -4.063 -5.357 233 HB3 PRO 31 HB3 PRO 31 -18.285 -2.997 -6.358 234 HG2 PRO 31 HG2 PRO 31 -16.135 -4.531 -6.564 235 HG3 PRO 31 HG3 PRO 31 -15.929 -3.040 -6.719 236 HD2 PRO 31 HD2 PRO 31 -15.103 -4.373 -4.187 237 HD3 PRO 31 HD3 PRO 31 -14.433 -3.271 -4.955 238 HA PRO 32 HA PRO 32 -20.841 -2.552 -1.965 239 HB2 PRO 32 HB2 PRO 32 -19.614 -3.516 0.517 240 HB3 PRO 32 HB3 PRO 32 -20.835 -3.983 -0.127 241 HG2 PRO 32 HG2 PRO 32 -18.870 -5.650 -0.761 242 HG3 PRO 32 HG3 PRO 32 -19.838 -5.310 -1.859 243 HD2 PRO 32 HD2 PRO 32 -17.177 -3.898 -1.774 244 HD3 PRO 32 HD3 PRO 32 -17.812 -4.599 -2.908 245 H GLN 33 H GLN 33 -17.795 -1.012 -1.111 246 HA GLN 33 HA GLN 33 -19.218 1.145 0.408 247 HB2 GLN 33 HB2 GLN 33 -16.276 0.571 0.313 248 HB3 GLN 33 HB3 GLN 33 -16.862 1.878 0.953 249 HG2 GLN 33 HG2 GLN 33 -16.832 0.589 2.889 250 HG3 GLN 33 HG3 GLN 33 -18.308 0.537 2.553 251 HE21 GLN 33 HE21 GLN 33 -15.392 -1.373 1.631 252 HE22 GLN 33 HE22 GLN 33 -16.157 -2.953 1.771 253 H ALA 34 H ALA 34 -17.884 0.434 -2.669 254 HA ALA 34 HA ALA 34 -17.412 1.644 -4.522 255 HB1 ALA 34 HB1 ALA 34 -19.338 2.964 -5.244 256 HB2 ALA 34 HB2 ALA 34 -19.859 1.500 -4.397 257 HB3 ALA 34 HB3 ALA 34 -19.919 3.071 -3.568 258 H LEU 35 H LEU 35 -15.542 2.504 -2.918 259 HA LEU 35 HA LEU 35 -13.989 4.094 -2.512 260 HB2 LEU 35 HB2 LEU 35 -15.160 5.627 -4.810 261 HB3 LEU 35 HB3 LEU 35 -13.810 5.996 -4.178 262 HG LEU 35 HG LEU 35 -14.105 3.147 -5.191 263 HD11 LEU 35 HD11 LEU 35 -13.128 3.913 -7.320 264 HD12 LEU 35 HD12 LEU 35 -13.261 5.604 -6.784 265 HD13 LEU 35 HD13 LEU 35 -14.724 4.630 -7.049 266 HD21 LEU 35 HD21 LEU 35 -11.683 3.291 -5.411 267 HD22 LEU 35 HD22 LEU 35 -12.121 3.785 -3.767 268 HD23 LEU 35 HD23 LEU 35 -11.697 5.011 -4.967 269 HN1 NH2 36 H1 NHE 36 -16.895 4.534 -1.271 270 HN2 NH2 36 H2 NHE 36 -16.670 6.110 -0.537 Start of MODEL 13 1 H1 ARG 1 H1 ARG 1 8.019 11.679 -3.670 2 H2 ARG 1 H2 ARG 1 7.717 10.197 -3.043 3 H3 ARG 1 H3 ARG 1 8.391 10.342 -4.531 4 HA ARG 1 HA ARG 1 9.655 11.185 -2.009 5 HB2 ARG 1 HB2 ARG 1 10.200 8.726 -3.657 6 HB3 ARG 1 HB3 ARG 1 11.358 9.291 -2.815 7 HG2 ARG 1 HG2 ARG 1 8.844 8.316 -1.496 8 HG3 ARG 1 HG3 ARG 1 10.191 7.551 -1.565 9 HD2 ARG 1 HD2 ARG 1 11.258 9.675 -0.323 10 HD3 ARG 1 HD3 ARG 1 9.843 10.202 -0.107 11 HE ARG 1 HE ARG 1 9.665 7.527 0.802 12 HH11 ARG 1 HH11 ARG 1 11.240 10.514 1.795 13 HH12 ARG 1 HH12 ARG 1 11.484 9.931 3.418 14 HH21 ARG 1 HH21 ARG 1 10.194 6.805 2.762 15 HH22 ARG 1 HH22 ARG 1 10.841 7.889 3.988 16 H ASP 2 H ASP 2 11.961 11.643 -2.234 17 HA ASP 2 HA ASP 2 12.787 12.719 -4.889 18 HB2 ASP 2 HB2 ASP 2 11.926 14.562 -3.316 19 HB3 ASP 2 HB3 ASP 2 12.924 14.201 -2.238 20 HA PRO 3 HA PRO 3 16.843 11.542 -2.736 21 HB2 PRO 3 HB2 PRO 3 17.055 10.453 -0.308 22 HB3 PRO 3 HB3 PRO 3 16.927 11.956 -0.483 23 HG2 PRO 3 HG2 PRO 3 14.577 10.363 0.402 24 HG3 PRO 3 HG3 PRO 3 15.027 11.661 0.908 25 HD2 PRO 3 HD2 PRO 3 13.184 11.990 -1.032 26 HD3 PRO 3 HD3 PRO 3 14.306 13.027 -0.851 27 H LEU 4 H LEU 4 14.181 9.285 -2.037 28 HA LEU 4 HA LEU 4 13.841 7.077 -2.391 29 HB2 LEU 4 HB2 LEU 4 13.997 8.484 -4.802 30 HB3 LEU 4 HB3 LEU 4 14.899 7.347 -5.181 31 HG LEU 4 HG LEU 4 12.115 6.837 -4.022 32 HD11 LEU 4 HD11 LEU 4 12.019 8.038 -6.164 33 HD12 LEU 4 HD12 LEU 4 11.430 6.378 -6.335 34 HD13 LEU 4 HD13 LEU 4 13.056 6.804 -6.915 35 HD21 LEU 4 HD21 LEU 4 13.972 4.927 -5.500 36 HD22 LEU 4 HD22 LEU 4 12.303 4.578 -4.995 37 HD23 LEU 4 HD23 LEU 4 13.555 4.847 -3.777 38 H LEU 5 H LEU 5 16.317 7.317 -1.065 39 HA LEU 5 HA LEU 5 18.314 5.621 -2.315 40 HB2 LEU 5 HB2 LEU 5 18.219 6.460 0.566 41 HB3 LEU 5 HB3 LEU 5 19.444 5.784 -0.099 42 HG LEU 5 HG LEU 5 18.398 8.494 -1.017 43 HD11 LEU 5 HD11 LEU 5 19.412 8.517 1.222 44 HD12 LEU 5 HD12 LEU 5 20.413 9.376 0.041 45 HD13 LEU 5 HD13 LEU 5 20.878 7.743 0.574 46 HD21 LEU 5 HD21 LEU 5 19.504 7.391 -2.894 47 HD22 LEU 5 HD22 LEU 5 20.888 6.951 -1.860 48 HD23 LEU 5 HD23 LEU 5 20.553 8.655 -2.250 49 H ASP 6 H ASP 6 15.634 4.906 -0.178 50 HA ASP 6 HA ASP 6 16.190 2.004 -0.517 51 HB2 ASP 6 HB2 ASP 6 17.011 3.049 1.814 52 HB3 ASP 6 HB3 ASP 6 15.558 3.203 2.205 53 H ALA 7 H ALA 7 13.927 4.428 -0.788 54 HA ALA 7 HA ALA 7 11.561 3.398 0.320 55 HB1 ALA 7 HB1 ALA 7 11.833 5.693 -0.486 56 HB2 ALA 7 HB2 ALA 7 11.916 5.108 -2.165 57 HB3 ALA 7 HB3 ALA 7 10.427 4.913 -1.232 58 H NLE 8 H NLE 8 13.107 2.535 -2.763 59 HA NLE 8 HA NLE 8 10.974 1.223 -3.996 60 HB2 NLE 8 HB2 NLE 8 12.474 0.297 -5.496 61 HB3 NLE 8 HB3 NLE 8 13.168 1.837 -5.047 62 HG2 NLE 8 HG2 NLE 8 14.046 -0.924 -4.063 63 HG3 NLE 8 HG3 NLE 8 14.836 0.028 -5.302 64 HD2 NLE 8 HD2 NLE 8 14.675 0.774 -2.353 65 HD3 NLE 8 HD3 NLE 8 16.056 0.071 -3.188 66 HE1 NLE 8 HE1 NLE 8 16.425 2.447 -2.968 67 HE2 NLE 8 HE2 NLE 8 16.164 2.079 -4.682 68 HE3 NLE 8 HE3 NLE 8 14.866 2.823 -3.718 69 H ARG 9 H ARG 9 12.765 0.075 -1.250 70 HA ARG 9 HA ARG 9 11.605 -2.682 -1.476 71 HB2 ARG 9 HB2 ARG 9 13.350 -1.719 0.766 72 HB3 ARG 9 HB3 ARG 9 12.883 -3.176 0.546 73 HG2 ARG 9 HG2 ARG 9 14.195 -3.013 -1.789 74 HG3 ARG 9 HG3 ARG 9 14.775 -1.692 -1.323 75 HD2 ARG 9 HD2 ARG 9 15.368 -4.263 0.149 76 HD3 ARG 9 HD3 ARG 9 16.360 -3.436 -0.691 77 HE ARG 9 HE ARG 9 16.032 -1.489 0.970 78 HH11 ARG 9 HH11 ARG 9 15.789 -4.828 2.041 79 HH12 ARG 9 HH12 ARG 9 16.006 -4.375 3.709 80 HH21 ARG 9 HH21 ARG 9 16.138 -0.985 3.037 81 HH22 ARG 9 HH22 ARG 9 16.244 -2.235 4.266 82 H ARG 10 H ARG 10 11.815 -0.187 1.048 83 HA ARG 10 HA ARG 10 9.776 -1.392 2.651 84 HB2 ARG 10 HB2 ARG 10 10.416 0.325 4.206 85 HB3 ARG 10 HB3 ARG 10 11.699 -0.191 3.530 86 HG2 ARG 10 HG2 ARG 10 11.117 1.986 1.867 87 HG3 ARG 10 HG3 ARG 10 10.383 2.489 3.084 88 HD2 ARG 10 HD2 ARG 10 13.338 1.825 3.209 89 HD3 ARG 10 HD3 ARG 10 12.754 3.248 3.089 90 HE ARG 10 HE ARG 10 11.503 2.741 5.325 91 HH11 ARG 10 HH11 ARG 10 14.730 1.440 4.591 92 HH12 ARG 10 HH12 ARG 10 15.170 1.488 6.278 93 HH21 ARG 10 HH21 ARG 10 12.173 2.698 7.417 94 HH22 ARG 10 HH22 ARG 10 13.775 2.151 7.817 95 H GLU 11 H GLU 11 9.525 1.326 0.406 96 HA GLU 11 HA GLU 11 6.634 1.680 1.108 97 HB2 GLU 11 HB2 GLU 11 8.386 3.469 -0.557 98 HB3 GLU 11 HB3 GLU 11 6.883 3.693 -0.433 99 HG2 GLU 11 HG2 GLU 11 6.966 4.151 1.965 100 HG3 GLU 11 HG3 GLU 11 8.237 3.365 2.239 101 H GLY 12 H GLY 12 8.791 0.601 -1.501 102 HA2 GLY 12 HA2 GLY 12 6.882 0.007 -3.519 103 HA3 GLY 12 HA3 GLY 12 8.342 -0.929 -3.165 104 H ALA 13 H ALA 13 7.761 -1.910 -0.573 105 HA ALA 13 HA ALA 13 5.912 -4.026 -0.981 106 HB1 ALA 13 HB1 ALA 13 7.778 -4.135 0.605 107 HB2 ALA 13 HB2 ALA 13 7.038 -2.860 1.602 108 HB3 ALA 13 HB3 ALA 13 6.242 -4.441 1.436 109 H NLE 14 H NLE 14 5.451 -0.946 0.837 110 HA NLE 14 HA NLE 14 2.766 -1.478 1.626 111 HB2 NLE 14 HB2 NLE 14 4.236 1.144 1.217 112 HB3 NLE 14 HB3 NLE 14 2.592 1.026 1.862 113 HG2 NLE 14 HG2 NLE 14 3.409 -0.482 3.671 114 HG3 NLE 14 HG3 NLE 14 5.064 -0.256 3.110 115 HD2 NLE 14 HD2 NLE 14 3.220 1.958 4.120 116 HD3 NLE 14 HD3 NLE 14 4.469 1.151 5.072 117 HE1 NLE 14 HE1 NLE 14 6.214 2.006 3.518 118 HE2 NLE 14 HE2 NLE 14 4.954 2.879 2.607 119 HE3 NLE 14 HE3 NLE 14 5.292 3.308 4.292 120 H ASP 15 H ASP 15 4.049 -0.096 -1.388 121 HA ASP 15 HA ASP 15 1.561 0.631 -2.570 122 HB2 ASP 15 HB2 ASP 15 4.031 1.142 -3.336 123 HB3 ASP 15 HB3 ASP 15 4.116 -0.229 -3.965 124 H PHE 16 H PHE 16 2.719 -2.569 -1.947 125 HA PHE 16 HA PHE 16 0.453 -3.587 -3.602 126 HB2 PHE 16 HB2 PHE 16 1.638 -5.548 -4.147 127 HB3 PHE 16 HB3 PHE 16 2.421 -4.306 -4.686 128 HD1 PHE 16 HD1 PHE 16 2.437 -6.524 -1.614 129 HD2 PHE 16 HD2 PHE 16 4.740 -4.294 -4.502 130 HE1 PHE 16 HE1 PHE 16 4.529 -7.475 -0.685 131 HE2 PHE 16 HE2 PHE 16 6.827 -5.276 -3.593 132 HZ PHE 16 HZ PHE 16 6.728 -6.872 -1.683 133 H TRP 17 H TRP 17 1.688 -3.397 -0.370 134 HA TRP 17 HA TRP 17 -0.228 -5.290 0.741 135 HB2 TRP 17 HB2 TRP 17 1.577 -4.127 2.104 136 HB3 TRP 17 HB3 TRP 17 0.984 -2.720 1.827 137 HD1 TRP 17 HD1 TRP 17 -0.673 -1.716 3.460 138 HE1 TRP 17 HE1 TRP 17 -2.038 -2.542 5.472 139 HE3 TRP 17 HE3 TRP 17 0.197 -6.744 3.013 140 HZ2 TRP 17 HZ2 TRP 17 -2.662 -5.049 6.733 141 HZ3 TRP 17 HZ3 TRP 17 -0.786 -8.332 4.656 142 HH2 TRP 17 HH2 TRP 17 -2.189 -7.496 6.530 143 H SER 18 H SER 18 -0.392 -1.767 0.047 144 HA SER 18 HA SER 18 -3.120 -1.408 0.756 145 HB2 SER 18 HB2 SER 18 -2.801 0.800 -0.363 146 HB3 SER 18 HB3 SER 18 -1.626 0.475 0.584 147 HG SER 18 HG SER 18 -0.283 0.030 -1.067 148 H ALA 19 H ALA 19 -1.886 -2.943 -2.095 149 HA ALA 19 HA ALA 19 -4.159 -2.588 -3.820 150 HB1 ALA 19 HB1 ALA 19 -1.909 -3.326 -4.563 151 HB2 ALA 19 HB2 ALA 19 -2.138 -4.864 -3.688 152 HB3 ALA 19 HB3 ALA 19 -3.188 -4.451 -5.058 153 H GLY 20 H GLY 20 -3.858 -4.429 -0.891 154 HA2 GLY 20 HA2 GLY 20 -6.557 -5.628 -1.348 155 HA3 GLY 20 HA3 GLY 20 -5.208 -6.691 -0.953 156 H ABA 21 H ABU 21 -4.210 -4.389 0.887 157 HA ABA 21 HA ABU 21 -4.056 -4.157 3.118 158 HB3 ABA 21 HB3 ABU 21 -6.837 -3.031 2.711 159 HB2 ABA 21 HB2 ABU 21 -5.349 -2.267 2.139 160 HG1 ABA 21 HG1 ABU 21 -6.053 -1.291 4.263 161 HG3 ABA 21 HG3 ABU 21 -4.507 -2.142 4.468 162 HG2 ABA 21 HG2 ABU 21 -6.020 -2.882 5.049 163 H TYR 22 H TYR 22 -3.849 -6.108 4.071 164 HA TYR 22 HA TYR 22 -4.230 -7.908 5.339 165 HB2 TYR 22 HB2 TYR 22 -7.073 -7.220 5.873 166 HB3 TYR 22 HB3 TYR 22 -6.229 -8.303 6.640 167 HD1 TYR 22 HD1 TYR 22 -4.238 -7.715 8.077 168 HD2 TYR 22 HD2 TYR 22 -7.033 -4.803 6.551 169 HE1 TYR 22 HE1 TYR 22 -3.563 -6.122 9.876 170 HE2 TYR 22 HE2 TYR 22 -6.363 -3.213 8.346 171 HH TYR 22 HH TYR 22 -5.039 -2.880 10.200 172 H ALA 23 H ALA 23 -4.800 -7.759 2.381 173 HA ALA 23 HA ALA 23 -5.714 -8.914 0.652 174 HB1 ALA 23 HB1 ALA 23 -5.344 -11.333 0.701 175 HB2 ALA 23 HB2 ALA 23 -3.983 -10.475 1.442 176 HB3 ALA 23 HB3 ALA 23 -5.181 -11.293 2.469 177 H ARG 24 H ARG 24 -7.579 -7.662 1.924 178 HA ARG 24 HA ARG 24 -9.968 -9.407 2.427 179 HB2 ARG 24 HB2 ARG 24 -8.851 -8.519 4.410 180 HB3 ARG 24 HB3 ARG 24 -8.728 -7.035 3.848 181 HG2 ARG 24 HG2 ARG 24 -10.453 -6.998 5.506 182 HG3 ARG 24 HG3 ARG 24 -11.000 -6.506 4.174 183 HD2 ARG 24 HD2 ARG 24 -11.965 -9.000 3.867 184 HD3 ARG 24 HD3 ARG 24 -11.449 -9.309 5.279 185 HE ARG 24 HE ARG 24 -13.203 -8.143 6.245 186 HH11 ARG 24 HH11 ARG 24 -12.862 -6.903 2.972 187 HH12 ARG 24 HH12 ARG 24 -14.309 -5.925 3.102 188 HH21 ARG 24 HH21 ARG 24 -15.028 -6.823 6.326 189 HH22 ARG 24 HH22 ARG 24 -15.458 -5.881 4.921 190 H GLY 25 H GLY 25 -8.996 -7.771 -0.003 191 HA2 GLY 25 HA2 GLY 25 -10.172 -6.869 -1.789 192 HA3 GLY 25 HA3 GLY 25 -11.627 -6.778 -0.794 193 H VAL 26 H VAL 26 -8.774 -5.295 0.511 194 HA VAL 26 HA VAL 26 -8.482 -3.241 1.349 195 HB VAL 26 HB VAL 26 -7.204 -3.053 -0.534 196 HG11 VAL 26 HG11 VAL 26 -9.591 -2.074 -2.121 197 HG12 VAL 26 HG12 VAL 26 -7.896 -1.958 -2.643 198 HG13 VAL 26 HG13 VAL 26 -8.633 -3.541 -2.394 199 HG21 VAL 26 HG21 VAL 26 -8.687 -0.426 -0.270 200 HG22 VAL 26 HG22 VAL 26 -7.477 -1.040 0.886 201 HG23 VAL 26 HG23 VAL 26 -7.018 -0.671 -0.782 202 HA PRO 27 HA PRO 27 -12.894 -2.789 2.271 203 HB2 PRO 27 HB2 PRO 27 -11.939 -1.386 4.707 204 HB3 PRO 27 HB3 PRO 27 -13.071 -2.302 4.559 205 HG2 PRO 27 HG2 PRO 27 -10.938 -3.731 5.232 206 HG3 PRO 27 HG3 PRO 27 -11.851 -4.324 4.185 207 HD2 PRO 27 HD2 PRO 27 -9.249 -3.133 3.364 208 HD3 PRO 27 HD3 PRO 27 -9.939 -4.351 2.839 209 H LEU 28 H LEU 28 -10.786 0.137 2.564 210 HA LEU 28 HA LEU 28 -12.954 1.979 2.229 211 HB2 LEU 28 HB2 LEU 28 -11.265 3.639 2.188 212 HB3 LEU 28 HB3 LEU 28 -11.084 2.662 3.440 213 HG LEU 28 HG LEU 28 -8.995 3.466 2.496 214 HD11 LEU 28 HD11 LEU 28 -7.712 1.545 2.707 215 HD12 LEU 28 HD12 LEU 28 -9.016 0.458 2.176 216 HD13 LEU 28 HD13 LEU 28 -9.123 1.296 3.759 217 HD21 LEU 28 HD21 LEU 28 -9.562 3.451 0.124 218 HD22 LEU 28 HD22 LEU 28 -9.512 1.670 0.120 219 HD23 LEU 28 HD23 LEU 28 -8.040 2.600 0.476 220 H SER 29 H SER 29 -11.687 0.008 -0.091 221 HA SER 29 HA SER 29 -12.933 1.601 -2.277 222 HB2 SER 29 HB2 SER 29 -10.375 0.052 -2.698 223 HB3 SER 29 HB3 SER 29 -11.239 0.692 -3.825 224 HG SER 29 HG SER 29 -9.562 2.074 -3.106 225 H GLU 30 H GLU 30 -13.605 -0.922 -0.460 226 HA GLU 30 HA GLU 30 -13.880 -3.173 -2.247 227 HB2 GLU 30 HB2 GLU 30 -14.355 -2.680 0.514 228 HB3 GLU 30 HB3 GLU 30 -15.781 -2.961 0.011 229 HG2 GLU 30 HG2 GLU 30 -14.701 -5.126 -1.147 230 HG3 GLU 30 HG3 GLU 30 -13.464 -4.893 -0.309 231 HA PRO 31 HA PRO 31 -17.623 -1.881 -4.414 232 HB2 PRO 31 HB2 PRO 31 -18.508 -4.660 -4.763 233 HB3 PRO 31 HB3 PRO 31 -18.346 -3.604 -5.779 234 HG2 PRO 31 HG2 PRO 31 -16.191 -5.167 -5.770 235 HG3 PRO 31 HG3 PRO 31 -16.021 -3.692 -6.041 236 HD2 PRO 31 HD2 PRO 31 -15.297 -4.815 -3.363 237 HD3 PRO 31 HD3 PRO 31 -14.576 -3.792 -4.188 238 HA PRO 32 HA PRO 32 -20.779 -3.538 -1.023 239 HB2 PRO 32 HB2 PRO 32 -19.023 -4.248 1.255 240 HB3 PRO 32 HB3 PRO 32 -20.330 -4.797 0.915 241 HG2 PRO 32 HG2 PRO 32 -18.509 -6.408 -0.111 242 HG3 PRO 32 HG3 PRO 32 -19.679 -6.103 -1.002 243 HD2 PRO 32 HD2 PRO 32 -17.083 -4.653 -1.457 244 HD3 PRO 32 HD3 PRO 32 -17.953 -5.344 -2.438 245 H GLN 33 H GLN 33 -17.930 -1.525 -0.623 246 HA GLN 33 HA GLN 33 -19.483 0.435 1.027 247 HB2 GLN 33 HB2 GLN 33 -16.509 0.202 0.720 248 HB3 GLN 33 HB3 GLN 33 -17.172 1.492 1.318 249 HG2 GLN 33 HG2 GLN 33 -16.914 0.386 3.330 250 HG3 GLN 33 HG3 GLN 33 -18.385 0.134 3.095 251 HE21 GLN 33 HE21 GLN 33 -15.254 -1.476 2.334 252 HE22 GLN 33 HE22 GLN 33 -15.854 -3.122 2.544 253 H ALA 34 H ALA 34 -19.012 -0.198 -2.142 254 HA ALA 34 HA ALA 34 -18.836 0.948 -4.075 255 HB1 ALA 34 HB1 ALA 34 -20.649 2.566 -4.331 256 HB2 ALA 34 HB2 ALA 34 -21.160 1.191 -3.337 257 HB3 ALA 34 HB3 ALA 34 -20.766 2.745 -2.566 258 H LEU 35 H LEU 35 -16.531 1.481 -2.873 259 HA LEU 35 HA LEU 35 -14.693 2.785 -2.854 260 HB2 LEU 35 HB2 LEU 35 -15.935 4.654 -4.821 261 HB3 LEU 35 HB3 LEU 35 -14.412 4.531 -4.550 262 HG LEU 35 HG LEU 35 -16.000 2.191 -5.696 263 HD11 LEU 35 HD11 LEU 35 -14.937 2.802 -7.820 264 HD12 LEU 35 HD12 LEU 35 -14.180 4.220 -7.054 265 HD13 LEU 35 HD13 LEU 35 -15.950 4.120 -7.210 266 HD21 LEU 35 HD21 LEU 35 -13.771 1.324 -6.307 267 HD22 LEU 35 HD22 LEU 35 -13.966 1.458 -4.556 268 HD23 LEU 35 HD23 LEU 35 -13.000 2.671 -5.432 269 HN1 NH2 36 H1 NHE 36 -17.142 3.645 -1.031 270 HN2 NH2 36 H2 NHE 36 -16.535 5.163 -0.401 Start of MODEL 14 1 H1 ARG 1 H1 ARG 1 8.768 12.210 -4.107 2 H2 ARG 1 H2 ARG 1 8.297 10.742 -3.560 3 H3 ARG 1 H3 ARG 1 9.104 10.874 -4.981 4 HA ARG 1 HA ARG 1 10.229 11.537 -2.337 5 HB2 ARG 1 HB2 ARG 1 10.704 9.086 -4.024 6 HB3 ARG 1 HB3 ARG 1 11.828 9.530 -3.066 7 HG2 ARG 1 HG2 ARG 1 9.145 8.693 -2.008 8 HG3 ARG 1 HG3 ARG 1 10.439 7.848 -1.980 9 HD2 ARG 1 HD2 ARG 1 11.505 9.900 -0.593 10 HD3 ARG 1 HD3 ARG 1 10.090 10.470 -0.479 11 HE ARG 1 HE ARG 1 9.743 7.791 0.354 12 HH11 ARG 1 HH11 ARG 1 11.359 10.692 1.517 13 HH12 ARG 1 HH12 ARG 1 11.493 10.061 3.133 14 HH21 ARG 1 HH21 ARG 1 10.161 6.994 2.326 15 HH22 ARG 1 HH22 ARG 1 10.765 8.031 3.611 16 H ASP 2 H ASP 2 12.576 11.830 -2.362 17 HA ASP 2 HA ASP 2 13.644 12.983 -4.903 18 HB2 ASP 2 HB2 ASP 2 12.851 14.764 -3.248 19 HB3 ASP 2 HB3 ASP 2 13.732 14.240 -2.144 20 HA PRO 3 HA PRO 3 17.467 11.293 -2.653 21 HB2 PRO 3 HB2 PRO 3 17.468 10.070 -0.280 22 HB3 PRO 3 HB3 PRO 3 17.476 11.587 -0.379 23 HG2 PRO 3 HG2 PRO 3 14.956 10.159 0.314 24 HG3 PRO 3 HG3 PRO 3 15.492 11.376 0.917 25 HD2 PRO 3 HD2 PRO 3 13.778 11.970 -1.083 26 HD3 PRO 3 HD3 PRO 3 14.962 12.898 -0.791 27 H LEU 4 H LEU 4 14.581 9.271 -2.191 28 HA LEU 4 HA LEU 4 14.056 7.126 -2.649 29 HB2 LEU 4 HB2 LEU 4 14.472 8.577 -5.006 30 HB3 LEU 4 HB3 LEU 4 15.276 7.364 -5.375 31 HG LEU 4 HG LEU 4 12.401 7.106 -4.359 32 HD11 LEU 4 HD11 LEU 4 12.530 8.362 -6.474 33 HD12 LEU 4 HD12 LEU 4 11.787 6.773 -6.715 34 HD13 LEU 4 HD13 LEU 4 13.475 7.045 -7.207 35 HD21 LEU 4 HD21 LEU 4 14.138 5.055 -5.795 36 HD22 LEU 4 HD22 LEU 4 12.416 4.863 -5.391 37 HD23 LEU 4 HD23 LEU 4 13.616 4.979 -4.099 38 H LEU 5 H LEU 5 16.504 7.122 -1.215 39 HA LEU 5 HA LEU 5 18.362 5.234 -2.406 40 HB2 LEU 5 HB2 LEU 5 18.226 6.063 0.478 41 HB3 LEU 5 HB3 LEU 5 19.398 5.256 -0.132 42 HG LEU 5 HG LEU 5 18.707 8.067 -1.081 43 HD11 LEU 5 HD11 LEU 5 19.597 7.976 1.216 44 HD12 LEU 5 HD12 LEU 5 20.753 8.717 0.099 45 HD13 LEU 5 HD13 LEU 5 20.996 7.041 0.641 46 HD21 LEU 5 HD21 LEU 5 19.794 6.849 -2.903 47 HD22 LEU 5 HD22 LEU 5 21.058 6.259 -1.794 48 HD23 LEU 5 HD23 LEU 5 20.936 7.988 -2.192 49 H ASP 6 H ASP 6 15.543 4.820 -0.347 50 HA ASP 6 HA ASP 6 15.840 1.863 -0.569 51 HB2 ASP 6 HB2 ASP 6 16.713 2.983 1.722 52 HB3 ASP 6 HB3 ASP 6 15.270 3.236 2.084 53 H ALA 7 H ALA 7 13.785 4.400 -1.074 54 HA ALA 7 HA ALA 7 11.329 3.718 0.089 55 HB1 ALA 7 HB1 ALA 7 11.820 5.853 -1.012 56 HB2 ALA 7 HB2 ALA 7 11.837 5.040 -2.598 57 HB3 ALA 7 HB3 ALA 7 10.342 5.112 -1.649 58 H NLE 8 H NLE 8 12.765 2.445 -2.903 59 HA NLE 8 HA NLE 8 10.561 1.066 -3.923 60 HB2 NLE 8 HB2 NLE 8 12.003 -0.054 -5.360 61 HB3 NLE 8 HB3 NLE 8 12.708 1.526 -5.119 62 HG2 NLE 8 HG2 NLE 8 13.629 -1.106 -3.864 63 HG3 NLE 8 HG3 NLE 8 14.380 -0.285 -5.216 64 HD2 NLE 8 HD2 NLE 8 14.302 0.741 -2.349 65 HD3 NLE 8 HD3 NLE 8 15.668 -0.008 -3.163 66 HE1 NLE 8 HE1 NLE 8 15.982 2.398 -3.158 67 HE2 NLE 8 HE2 NLE 8 15.707 1.859 -4.825 68 HE3 NLE 8 HE3 NLE 8 14.405 2.663 -3.916 69 H ARG 9 H ARG 9 12.398 0.182 -1.114 70 HA ARG 9 HA ARG 9 11.110 -2.535 -1.011 71 HB2 ARG 9 HB2 ARG 9 13.032 -1.460 1.023 72 HB3 ARG 9 HB3 ARG 9 12.445 -2.894 0.998 73 HG2 ARG 9 HG2 ARG 9 13.652 -3.075 -1.408 74 HG3 ARG 9 HG3 ARG 9 14.374 -1.786 -1.075 75 HD2 ARG 9 HD2 ARG 9 14.782 -4.285 0.571 76 HD3 ARG 9 HD3 ARG 9 15.822 -3.586 -0.318 77 HE ARG 9 HE ARG 9 15.624 -1.522 1.230 78 HH11 ARG 9 HH11 ARG 9 15.232 -4.773 2.498 79 HH12 ARG 9 HH12 ARG 9 15.402 -4.221 4.143 80 HH21 ARG 9 HH21 ARG 9 15.642 -0.886 3.267 81 HH22 ARG 9 HH22 ARG 9 15.699 -2.058 4.572 82 H ARG 10 H ARG 10 11.587 0.251 1.180 83 HA ARG 10 HA ARG 10 9.642 -0.719 3.038 84 HB2 ARG 10 HB2 ARG 10 10.443 1.095 4.367 85 HB3 ARG 10 HB3 ARG 10 11.663 0.561 3.607 86 HG2 ARG 10 HG2 ARG 10 10.899 2.556 1.832 87 HG3 ARG 10 HG3 ARG 10 10.191 3.142 3.033 88 HD2 ARG 10 HD2 ARG 10 13.182 2.670 3.041 89 HD3 ARG 10 HD3 ARG 10 12.485 4.040 2.875 90 HE ARG 10 HE ARG 10 11.537 3.845 5.176 91 HH11 ARG 10 HH11 ARG 10 14.334 1.753 4.475 92 HH12 ARG 10 HH12 ARG 10 14.795 1.764 6.154 93 HH21 ARG 10 HH21 ARG 10 12.221 3.729 7.259 94 HH22 ARG 10 HH22 ARG 10 13.641 2.813 7.669 95 H GLU 11 H GLU 11 9.244 1.633 0.457 96 HA GLU 11 HA GLU 11 6.392 2.098 1.280 97 HB2 GLU 11 HB2 GLU 11 8.032 3.657 -0.701 98 HB3 GLU 11 HB3 GLU 11 6.531 3.891 -0.519 99 HG2 GLU 11 HG2 GLU 11 6.740 4.787 1.701 100 HG3 GLU 11 HG3 GLU 11 7.906 3.916 2.130 101 H GLY 12 H GLY 12 8.436 0.734 -1.296 102 HA2 GLY 12 HA2 GLY 12 6.453 -0.062 -3.154 103 HA3 GLY 12 HA3 GLY 12 7.931 -0.960 -2.775 104 H ALA 13 H ALA 13 7.483 -1.726 -0.107 105 HA ALA 13 HA ALA 13 5.693 -3.913 -0.263 106 HB1 ALA 13 HB1 ALA 13 7.602 -3.826 1.264 107 HB2 ALA 13 HB2 ALA 13 6.851 -2.490 2.169 108 HB3 ALA 13 HB3 ALA 13 6.102 -4.103 2.167 109 H NLE 14 H NLE 14 5.153 -0.688 1.251 110 HA NLE 14 HA NLE 14 2.501 -1.235 2.184 111 HB2 NLE 14 HB2 NLE 14 3.837 1.388 1.420 112 HB3 NLE 14 HB3 NLE 14 2.240 1.258 2.167 113 HG2 NLE 14 HG2 NLE 14 3.252 0.018 4.087 114 HG3 NLE 14 HG3 NLE 14 4.857 0.296 3.407 115 HD2 NLE 14 HD2 NLE 14 2.892 2.481 4.239 116 HD3 NLE 14 HD3 NLE 14 4.225 1.883 5.229 117 HE1 NLE 14 HE1 NLE 14 5.859 2.671 3.542 118 HE2 NLE 14 HE2 NLE 14 4.524 3.313 2.550 119 HE3 NLE 14 HE3 NLE 14 4.847 3.989 4.157 120 H ASP 15 H ASP 15 3.702 -0.034 -0.954 121 HA ASP 15 HA ASP 15 1.163 0.477 -2.143 122 HB2 ASP 15 HB2 ASP 15 3.585 1.133 -2.942 123 HB3 ASP 15 HB3 ASP 15 3.769 -0.253 -3.520 124 H PHE 16 H PHE 16 2.599 -2.617 -1.461 125 HA PHE 16 HA PHE 16 0.431 -3.859 -3.104 126 HB2 PHE 16 HB2 PHE 16 1.773 -5.722 -3.570 127 HB3 PHE 16 HB3 PHE 16 2.494 -4.444 -4.099 128 HD1 PHE 16 HD1 PHE 16 2.533 -6.556 -0.941 129 HD2 PHE 16 HD2 PHE 16 4.805 -4.341 -3.866 130 HE1 PHE 16 HE1 PHE 16 4.641 -7.360 0.080 131 HE2 PHE 16 HE2 PHE 16 6.911 -5.177 -2.860 132 HZ PHE 16 HZ PHE 16 6.835 -6.690 -0.884 133 H TRP 17 H TRP 17 1.574 -3.515 0.160 134 HA TRP 17 HA TRP 17 -0.249 -5.509 1.262 135 HB2 TRP 17 HB2 TRP 17 1.478 -4.302 2.653 136 HB3 TRP 17 HB3 TRP 17 0.896 -2.908 2.332 137 HD1 TRP 17 HD1 TRP 17 -0.638 -1.874 4.047 138 HE1 TRP 17 HE1 TRP 17 -2.105 -2.677 5.995 139 HE3 TRP 17 HE3 TRP 17 -0.150 -6.940 3.403 140 HZ2 TRP 17 HZ2 TRP 17 -2.946 -5.186 7.140 141 HZ3 TRP 17 HZ3 TRP 17 -1.285 -8.512 4.957 142 HH2 TRP 17 HH2 TRP 17 -2.651 -7.649 6.843 143 H SER 18 H SER 18 -0.576 -1.987 0.558 144 HA SER 18 HA SER 18 -3.349 -1.816 1.203 145 HB2 SER 18 HB2 SER 18 -3.144 0.436 0.182 146 HB3 SER 18 HB3 SER 18 -1.952 0.158 1.125 147 HG SER 18 HG SER 18 -0.581 -0.161 -0.538 148 H ALA 19 H ALA 19 -1.940 -3.276 -1.586 149 HA ALA 19 HA ALA 19 -4.172 -3.001 -3.388 150 HB1 ALA 19 HB1 ALA 19 -1.871 -3.635 -4.080 151 HB2 ALA 19 HB2 ALA 19 -2.054 -5.185 -3.221 152 HB3 ALA 19 HB3 ALA 19 -3.085 -4.811 -4.612 153 H GLY 20 H GLY 20 -3.918 -4.769 -0.438 154 HA2 GLY 20 HA2 GLY 20 -6.511 -6.135 -1.003 155 HA3 GLY 20 HA3 GLY 20 -5.128 -7.126 -0.538 156 H ABA 21 H ABU 21 -4.209 -4.970 1.374 157 HA ABA 21 HA ABU 21 -4.178 -4.764 3.610 158 HB3 ABA 21 HB3 ABU 21 -6.871 -3.499 3.054 159 HB2 ABA 21 HB2 ABU 21 -5.316 -2.799 2.592 160 HG1 ABA 21 HG1 ABU 21 -6.089 -1.816 4.690 161 HG3 ABA 21 HG3 ABU 21 -4.617 -2.765 4.977 162 HG2 ABA 21 HG2 ABU 21 -6.206 -3.417 5.442 163 H TYR 22 H TYR 22 -4.127 -6.613 4.726 164 HA TYR 22 HA TYR 22 -4.680 -8.419 5.932 165 HB2 TYR 22 HB2 TYR 22 -7.499 -7.578 6.332 166 HB3 TYR 22 HB3 TYR 22 -6.701 -8.606 7.199 167 HD1 TYR 22 HD1 TYR 22 -4.640 -7.859 8.581 168 HD2 TYR 22 HD2 TYR 22 -7.531 -5.147 6.879 169 HE1 TYR 22 HE1 TYR 22 -3.990 -6.116 10.244 170 HE2 TYR 22 HE2 TYR 22 -6.889 -3.412 8.544 171 HH TYR 22 HH TYR 22 -5.561 -2.894 10.337 172 H ALA 23 H ALA 23 -5.056 -8.329 2.981 173 HA ALA 23 HA ALA 23 -5.956 -9.432 1.218 174 HB1 ALA 23 HB1 ALA 23 -5.842 -11.865 1.349 175 HB2 ALA 23 HB2 ALA 23 -4.464 -11.131 2.190 176 HB3 ALA 23 HB3 ALA 23 -5.823 -11.798 3.125 177 H ARG 24 H ARG 24 -7.812 -7.973 2.432 178 HA ARG 24 HA ARG 24 -10.379 -9.519 2.544 179 HB2 ARG 24 HB2 ARG 24 -9.487 -8.668 4.688 180 HB3 ARG 24 HB3 ARG 24 -9.260 -7.198 4.152 181 HG2 ARG 24 HG2 ARG 24 -11.238 -7.130 5.509 182 HG3 ARG 24 HG3 ARG 24 -11.555 -6.636 4.104 183 HD2 ARG 24 HD2 ARG 24 -12.489 -9.113 3.640 184 HD3 ARG 24 HD3 ARG 24 -12.216 -9.434 5.117 185 HE ARG 24 HE ARG 24 -14.089 -8.241 5.786 186 HH11 ARG 24 HH11 ARG 24 -13.212 -7.019 2.604 187 HH12 ARG 24 HH12 ARG 24 -14.652 -6.029 2.494 188 HH21 ARG 24 HH21 ARG 24 -15.896 -6.915 5.560 189 HH22 ARG 24 HH22 ARG 24 -16.084 -5.978 4.100 190 H GLY 25 H GLY 25 -8.842 -7.724 0.405 191 HA2 GLY 25 HA2 GLY 25 -9.710 -6.873 -1.583 192 HA3 GLY 25 HA3 GLY 25 -11.327 -6.818 -0.877 193 H VAL 26 H VAL 26 -8.688 -5.307 0.841 194 HA VAL 26 HA VAL 26 -8.561 -3.246 1.738 195 HB VAL 26 HB VAL 26 -7.051 -3.080 0.002 196 HG11 VAL 26 HG11 VAL 26 -9.193 -1.950 -1.827 197 HG12 VAL 26 HG12 VAL 26 -7.446 -1.941 -2.138 198 HG13 VAL 26 HG13 VAL 26 -8.307 -3.476 -2.023 199 HG21 VAL 26 HG21 VAL 26 -8.514 -0.433 0.203 200 HG22 VAL 26 HG22 VAL 26 -7.429 -1.111 1.445 201 HG23 VAL 26 HG23 VAL 26 -6.807 -0.683 -0.153 202 HA PRO 27 HA PRO 27 -13.080 -2.859 1.973 203 HB2 PRO 27 HB2 PRO 27 -12.517 -1.530 4.571 204 HB3 PRO 27 HB3 PRO 27 -13.606 -2.443 4.240 205 HG2 PRO 27 HG2 PRO 27 -11.598 -3.893 5.172 206 HG3 PRO 27 HG3 PRO 27 -12.342 -4.452 3.977 207 HD2 PRO 27 HD2 PRO 27 -9.648 -3.248 3.599 208 HD3 PRO 27 HD3 PRO 27 -10.261 -4.442 2.933 209 H LEU 28 H LEU 28 -11.052 0.054 2.630 210 HA LEU 28 HA LEU 28 -13.145 1.918 2.102 211 HB2 LEU 28 HB2 LEU 28 -11.457 3.563 2.284 212 HB3 LEU 28 HB3 LEU 28 -11.373 2.560 3.505 213 HG LEU 28 HG LEU 28 -9.204 3.353 2.773 214 HD11 LEU 28 HD11 LEU 28 -7.949 1.337 2.901 215 HD12 LEU 28 HD12 LEU 28 -9.299 0.354 2.332 216 HD13 LEU 28 HD13 LEU 28 -9.379 1.153 3.926 217 HD21 LEU 28 HD21 LEU 28 -9.602 3.458 0.327 218 HD22 LEU 28 HD22 LEU 28 -9.482 1.687 0.258 219 HD23 LEU 28 HD23 LEU 28 -8.089 2.650 0.772 220 H SER 29 H SER 29 -11.559 0.014 -0.164 221 HA SER 29 HA SER 29 -12.661 1.641 -2.406 222 HB2 SER 29 HB2 SER 29 -9.956 0.287 -2.576 223 HB3 SER 29 HB3 SER 29 -10.712 0.885 -3.788 224 HG SER 29 HG SER 29 -9.253 2.376 -2.858 225 H GLU 30 H GLU 30 -13.329 -1.015 -0.775 226 HA GLU 30 HA GLU 30 -13.307 -3.161 -2.660 227 HB2 GLU 30 HB2 GLU 30 -14.142 -2.839 -0.005 228 HB3 GLU 30 HB3 GLU 30 -15.526 -2.958 -0.668 229 HG2 GLU 30 HG2 GLU 30 -14.507 -5.173 -1.808 230 HG3 GLU 30 HG3 GLU 30 -13.347 -5.059 -0.826 231 HA PRO 31 HA PRO 31 -16.615 -1.823 -5.390 232 HB2 PRO 31 HB2 PRO 31 -17.604 -4.266 -6.277 233 HB3 PRO 31 HB3 PRO 31 -16.577 -3.384 -6.956 234 HG2 PRO 31 HG2 PRO 31 -15.727 -5.755 -5.518 235 HG3 PRO 31 HG3 PRO 31 -14.993 -5.028 -6.568 236 HD2 PRO 31 HD2 PRO 31 -14.085 -4.504 -4.050 237 HD3 PRO 31 HD3 PRO 31 -13.878 -3.517 -5.205 238 HA PRO 32 HA PRO 32 -20.412 -3.492 -2.727 239 HB2 PRO 32 HB2 PRO 32 -19.102 -4.285 -0.186 240 HB3 PRO 32 HB3 PRO 32 -20.347 -4.785 -0.751 241 HG2 PRO 32 HG2 PRO 32 -18.418 -6.434 -1.486 242 HG3 PRO 32 HG3 PRO 32 -19.423 -6.088 -2.551 243 HD2 PRO 32 HD2 PRO 32 -16.743 -4.746 -2.579 244 HD3 PRO 32 HD3 PRO 32 -17.516 -5.352 -3.708 245 H GLN 33 H GLN 33 -17.629 -1.576 -1.672 246 HA GLN 33 HA GLN 33 -19.419 0.340 -0.229 247 HB2 GLN 33 HB2 GLN 33 -16.427 0.115 -0.171 248 HB3 GLN 33 HB3 GLN 33 -17.148 1.407 0.351 249 HG2 GLN 33 HG2 GLN 33 -17.162 0.273 2.367 250 HG3 GLN 33 HG3 GLN 33 -18.595 0.040 1.943 251 HE21 GLN 33 HE21 GLN 33 -15.409 -1.583 1.707 252 HE22 GLN 33 HE22 GLN 33 -16.042 -3.231 1.745 253 H ALA 34 H ALA 34 -18.233 -0.133 -3.339 254 HA ALA 34 HA ALA 34 -17.736 1.166 -5.121 255 HB1 ALA 34 HB1 ALA 34 -19.591 2.637 -5.723 256 HB2 ALA 34 HB2 ALA 34 -20.185 1.155 -4.951 257 HB3 ALA 34 HB3 ALA 34 -20.139 2.677 -4.031 258 H LEU 35 H LEU 35 -15.875 1.801 -3.326 259 HA LEU 35 HA LEU 35 -14.223 3.229 -2.784 260 HB2 LEU 35 HB2 LEU 35 -15.071 5.237 -4.799 261 HB3 LEU 35 HB3 LEU 35 -13.639 5.052 -4.220 262 HG LEU 35 HG LEU 35 -14.976 3.011 -6.045 263 HD11 LEU 35 HD11 LEU 35 -13.308 3.769 -7.673 264 HD12 LEU 35 HD12 LEU 35 -12.668 4.944 -6.502 265 HD13 LEU 35 HD13 LEU 35 -14.318 5.123 -7.139 266 HD21 LEU 35 HD21 LEU 35 -12.701 1.984 -6.166 267 HD22 LEU 35 HD22 LEU 35 -13.443 1.827 -4.575 268 HD23 LEU 35 HD23 LEU 35 -12.173 3.048 -4.842 269 HN1 NH2 36 H1 NHE 36 -17.163 3.791 -1.635 270 HN2 NH2 36 H2 NHE 36 -16.857 5.275 -0.754 Start of MODEL 15 1 H1 ARG 1 H1 ARG 1 8.679 12.432 -2.432 2 H2 ARG 1 H2 ARG 1 8.258 10.912 -2.001 3 H3 ARG 1 H3 ARG 1 8.910 11.201 -3.476 4 HA ARG 1 HA ARG 1 10.315 11.578 -0.911 5 HB2 ARG 1 HB2 ARG 1 10.599 9.326 -2.893 6 HB3 ARG 1 HB3 ARG 1 11.813 9.668 -2.008 7 HG2 ARG 1 HG2 ARG 1 9.234 8.735 -0.782 8 HG3 ARG 1 HG3 ARG 1 10.498 7.873 -0.986 9 HD2 ARG 1 HD2 ARG 1 11.785 9.682 0.505 10 HD3 ARG 1 HD3 ARG 1 10.430 10.337 0.801 11 HE ARG 1 HE ARG 1 9.935 7.628 1.405 12 HH11 ARG 1 HH11 ARG 1 11.904 10.251 2.682 13 HH12 ARG 1 HH12 ARG 1 12.078 9.469 4.228 14 HH21 ARG 1 HH21 ARG 1 10.369 6.635 3.281 15 HH22 ARG 1 HH22 ARG 1 11.174 7.486 4.592 16 H ASP 2 H ASP 2 12.649 11.875 -1.153 17 HA ASP 2 HA ASP 2 13.505 13.192 -3.682 18 HB2 ASP 2 HB2 ASP 2 12.752 14.923 -1.953 19 HB3 ASP 2 HB3 ASP 2 13.709 14.413 -0.911 20 HA PRO 3 HA PRO 3 17.492 11.582 -1.665 21 HB2 PRO 3 HB2 PRO 3 17.668 10.359 0.699 22 HB3 PRO 3 HB3 PRO 3 17.619 11.872 0.610 23 HG2 PRO 3 HG2 PRO 3 15.181 10.360 1.419 24 HG3 PRO 3 HG3 PRO 3 15.716 11.582 2.014 25 HD2 PRO 3 HD2 PRO 3 13.886 12.170 0.120 26 HD3 PRO 3 HD3 PRO 3 15.071 13.116 0.351 27 H LEU 4 H LEU 4 14.645 9.545 -1.173 28 HA LEU 4 HA LEU 4 14.144 7.377 -1.577 29 HB2 LEU 4 HB2 LEU 4 14.484 8.810 -3.949 30 HB3 LEU 4 HB3 LEU 4 15.325 7.628 -4.324 31 HG LEU 4 HG LEU 4 12.481 7.256 -3.260 32 HD11 LEU 4 HD11 LEU 4 13.493 7.259 -6.130 33 HD12 LEU 4 HD12 LEU 4 12.511 8.528 -5.365 34 HD13 LEU 4 HD13 LEU 4 11.830 6.911 -5.604 35 HD21 LEU 4 HD21 LEU 4 14.268 5.290 -4.752 36 HD22 LEU 4 HD22 LEU 4 12.568 5.021 -4.303 37 HD23 LEU 4 HD23 LEU 4 13.799 5.180 -3.045 38 H LEU 5 H LEU 5 16.494 7.368 -0.119 39 HA LEU 5 HA LEU 5 18.542 5.744 -1.300 40 HB2 LEU 5 HB2 LEU 5 18.220 7.208 1.141 41 HB3 LEU 5 HB3 LEU 5 18.457 5.808 1.662 42 HG LEU 5 HG LEU 5 20.348 7.089 -0.370 43 HD11 LEU 5 HD11 LEU 5 20.355 8.229 1.817 44 HD12 LEU 5 HD12 LEU 5 21.874 7.365 1.538 45 HD13 LEU 5 HD13 LEU 5 20.654 6.678 2.634 46 HD21 LEU 5 HD21 LEU 5 20.530 4.654 -0.516 47 HD22 LEU 5 HD22 LEU 5 20.650 4.524 1.254 48 HD23 LEU 5 HD23 LEU 5 21.945 5.301 0.314 49 H ASP 6 H ASP 6 15.737 4.918 0.674 50 HA ASP 6 HA ASP 6 16.178 2.027 0.094 51 HB2 ASP 6 HB2 ASP 6 16.959 2.861 2.517 52 HB3 ASP 6 HB3 ASP 6 15.502 3.068 2.872 53 H ALA 7 H ALA 7 14.026 4.546 -0.107 54 HA ALA 7 HA ALA 7 11.586 3.572 0.874 55 HB1 ALA 7 HB1 ALA 7 11.983 5.887 0.182 56 HB2 ALA 7 HB2 ALA 7 12.085 5.376 -1.520 57 HB3 ALA 7 HB3 ALA 7 10.564 5.206 -0.633 58 H NLE 8 H NLE 8 13.181 2.790 -2.201 59 HA NLE 8 HA NLE 8 11.025 1.627 -3.548 60 HB2 NLE 8 HB2 NLE 8 12.523 0.746 -5.075 61 HB3 NLE 8 HB3 NLE 8 13.257 2.233 -4.527 62 HG2 NLE 8 HG2 NLE 8 14.030 -0.609 -3.699 63 HG3 NLE 8 HG3 NLE 8 14.875 0.394 -4.857 64 HD2 NLE 8 HD2 NLE 8 14.676 0.950 -1.867 65 HD3 NLE 8 HD3 NLE 8 16.056 0.273 -2.723 66 HE1 NLE 8 HE1 NLE 8 16.477 2.622 -2.341 67 HE2 NLE 8 HE2 NLE 8 16.233 2.377 -4.078 68 HE3 NLE 8 HE3 NLE 8 14.938 3.082 -3.083 69 H ARG 9 H ARG 9 12.706 0.266 -0.828 70 HA ARG 9 HA ARG 9 11.517 -2.449 -1.268 71 HB2 ARG 9 HB2 ARG 9 13.111 -1.611 1.132 72 HB3 ARG 9 HB3 ARG 9 12.620 -3.048 0.833 73 HG2 ARG 9 HG2 ARG 9 14.082 -2.833 -1.414 74 HG3 ARG 9 HG3 ARG 9 14.684 -1.565 -0.841 75 HD2 ARG 9 HD2 ARG 9 15.059 -4.235 0.525 76 HD3 ARG 9 HD3 ARG 9 16.142 -3.418 -0.203 77 HE ARG 9 HE ARG 9 15.791 -1.543 1.531 78 HH11 ARG 9 HH11 ARG 9 15.368 -4.919 2.403 79 HH12 ARG 9 HH12 ARG 9 15.485 -4.564 4.104 80 HH21 ARG 9 HH21 ARG 9 15.751 -1.150 3.638 81 HH22 ARG 9 HH22 ARG 9 15.759 -2.471 4.793 82 H ARG 10 H ARG 10 11.541 -0.056 1.364 83 HA ARG 10 HA ARG 10 9.362 -1.307 2.745 84 HB2 ARG 10 HB2 ARG 10 9.854 0.381 4.411 85 HB3 ARG 10 HB3 ARG 10 11.174 -0.232 3.889 86 HG2 ARG 10 HG2 ARG 10 10.888 2.050 2.231 87 HG3 ARG 10 HG3 ARG 10 10.174 2.563 3.452 88 HD2 ARG 10 HD2 ARG 10 13.030 1.548 3.638 89 HD3 ARG 10 HD3 ARG 10 12.638 3.037 3.528 90 HE ARG 10 HE ARG 10 11.199 2.548 5.711 91 HH11 ARG 10 HH11 ARG 10 14.437 1.257 5.040 92 HH12 ARG 10 HH12 ARG 10 14.851 1.306 6.733 93 HH21 ARG 10 HH21 ARG 10 11.833 2.509 7.823 94 HH22 ARG 10 HH22 ARG 10 13.427 1.962 8.251 95 H GLU 11 H GLU 11 9.371 1.698 0.814 96 HA GLU 11 HA GLU 11 6.436 2.015 1.224 97 HB2 GLU 11 HB2 GLU 11 8.340 3.807 -0.268 98 HB3 GLU 11 HB3 GLU 11 6.838 4.061 -0.245 99 HG2 GLU 11 HG2 GLU 11 6.753 4.536 2.123 100 HG3 GLU 11 HG3 GLU 11 7.880 3.604 2.527 101 H GLY 12 H GLY 12 8.754 0.934 -1.232 102 HA2 GLY 12 HA2 GLY 12 6.996 0.472 -3.418 103 HA3 GLY 12 HA3 GLY 12 8.398 -0.520 -2.991 104 H ALA 13 H ALA 13 7.647 -1.627 -0.533 105 HA ALA 13 HA ALA 13 5.758 -3.649 -1.183 106 HB1 ALA 13 HB1 ALA 13 7.550 -3.949 0.460 107 HB2 ALA 13 HB2 ALA 13 6.802 -2.741 1.531 108 HB3 ALA 13 HB3 ALA 13 5.969 -4.274 1.190 109 H NLE 14 H NLE 14 5.303 -0.678 0.817 110 HA NLE 14 HA NLE 14 2.596 -1.118 1.524 111 HB2 NLE 14 HB2 NLE 14 4.091 1.477 1.018 112 HB3 NLE 14 HB3 NLE 14 2.453 1.397 1.667 113 HG2 NLE 14 HG2 NLE 14 3.192 0.159 3.623 114 HG3 NLE 14 HG3 NLE 14 4.836 0.041 2.989 115 HD2 NLE 14 HD2 NLE 14 5.006 2.549 3.029 116 HD3 NLE 14 HD3 NLE 14 3.391 2.616 3.758 117 HE1 NLE 14 HE1 NLE 14 5.151 2.801 5.476 118 HE2 NLE 14 HE2 NLE 14 4.223 1.302 5.701 119 HE3 NLE 14 HE3 NLE 14 5.843 1.247 4.962 120 H ASP 15 H ASP 15 3.946 0.285 -1.472 121 HA ASP 15 HA ASP 15 1.498 1.107 -2.643 122 HB2 ASP 15 HB2 ASP 15 3.988 1.581 -3.366 123 HB3 ASP 15 HB3 ASP 15 4.038 0.239 -4.062 124 H PHE 16 H PHE 16 2.646 -2.161 -2.276 125 HA PHE 16 HA PHE 16 0.384 -3.052 -4.022 126 HB2 PHE 16 HB2 PHE 16 1.612 -4.950 -4.703 127 HB3 PHE 16 HB3 PHE 16 2.388 -3.666 -5.124 128 HD1 PHE 16 HD1 PHE 16 2.370 -6.174 -2.289 129 HD2 PHE 16 HD2 PHE 16 4.705 -3.551 -4.797 130 HE1 PHE 16 HE1 PHE 16 4.457 -7.144 -1.368 131 HE2 PHE 16 HE2 PHE 16 6.788 -4.550 -3.898 132 HZ PHE 16 HZ PHE 16 6.671 -6.349 -2.182 133 H TRP 17 H TRP 17 1.669 -3.196 -0.785 134 HA TRP 17 HA TRP 17 -0.190 -5.226 0.156 135 HB2 TRP 17 HB2 TRP 17 1.716 -4.261 1.543 136 HB3 TRP 17 HB3 TRP 17 1.118 -2.841 1.512 137 HD1 TRP 17 HD1 TRP 17 -0.349 -2.122 3.458 138 HE1 TRP 17 HE1 TRP 17 -1.624 -3.268 5.368 139 HE3 TRP 17 HE3 TRP 17 0.271 -7.007 2.029 140 HZ2 TRP 17 HZ2 TRP 17 -2.268 -5.956 6.189 141 HZ3 TRP 17 HZ3 TRP 17 -0.679 -8.844 3.408 142 HH2 TRP 17 HH2 TRP 17 -1.921 -8.334 5.498 143 H SER 18 H SER 18 -0.387 -1.621 -0.029 144 HA SER 18 HA SER 18 -3.069 -1.438 0.917 145 HB2 SER 18 HB2 SER 18 -2.851 0.925 0.206 146 HB3 SER 18 HB3 SER 18 -1.568 0.475 0.929 147 HG SER 18 HG SER 18 -0.443 0.341 -0.937 148 H ALA 19 H ALA 19 -1.953 -2.364 -2.251 149 HA ALA 19 HA ALA 19 -4.330 -1.826 -3.750 150 HB1 ALA 19 HB1 ALA 19 -2.105 -2.323 -4.733 151 HB2 ALA 19 HB2 ALA 19 -2.227 -3.998 -4.139 152 HB3 ALA 19 HB3 ALA 19 -3.367 -3.401 -5.358 153 H GLY 20 H GLY 20 -3.809 -4.148 -1.244 154 HA2 GLY 20 HA2 GLY 20 -6.464 -5.414 -1.834 155 HA3 GLY 20 HA3 GLY 20 -5.054 -6.410 -1.476 156 H ABA 21 H ABU 21 -4.180 -4.297 0.557 157 HA ABA 21 HA ABU 21 -4.108 -4.193 2.795 158 HB3 ABA 21 HB3 ABU 21 -6.947 -3.202 2.416 159 HB2 ABA 21 HB2 ABU 21 -5.500 -2.305 1.945 160 HG1 ABA 21 HG1 ABU 21 -6.285 -1.551 4.133 161 HG3 ABA 21 HG3 ABU 21 -4.699 -2.332 4.292 162 HG2 ABA 21 HG2 ABU 21 -6.175 -3.197 4.783 163 H TYR 22 H TYR 22 -3.809 -6.268 3.483 164 HA TYR 22 HA TYR 22 -4.117 -8.184 4.604 165 HB2 TYR 22 HB2 TYR 22 -6.977 -7.668 5.215 166 HB3 TYR 22 HB3 TYR 22 -6.069 -8.766 5.879 167 HD1 TYR 22 HD1 TYR 22 -3.994 -8.126 7.259 168 HD2 TYR 22 HD2 TYR 22 -7.129 -5.365 6.180 169 HE1 TYR 22 HE1 TYR 22 -3.360 -6.654 9.170 170 HE2 TYR 22 HE2 TYR 22 -6.501 -3.901 8.093 171 HH TYR 22 HH TYR 22 -5.112 -3.610 9.894 172 H ALA 23 H ALA 23 -4.615 -7.829 1.695 173 HA ALA 23 HA ALA 23 -5.458 -8.857 -0.147 174 HB1 ALA 23 HB1 ALA 23 -5.078 -11.263 -0.258 175 HB2 ALA 23 HB2 ALA 23 -3.754 -10.463 0.607 176 HB3 ALA 23 HB3 ALA 23 -4.990 -11.361 1.514 177 H ARG 24 H ARG 24 -7.394 -7.719 1.199 178 HA ARG 24 HA ARG 24 -9.773 -9.529 1.419 179 HB2 ARG 24 HB2 ARG 24 -8.777 -8.744 3.522 180 HB3 ARG 24 HB3 ARG 24 -8.680 -7.227 3.059 181 HG2 ARG 24 HG2 ARG 24 -10.503 -7.328 4.601 182 HG3 ARG 24 HG3 ARG 24 -11.004 -6.811 3.262 183 HD2 ARG 24 HD2 ARG 24 -11.820 -9.333 2.802 184 HD3 ARG 24 HD3 ARG 24 -11.358 -9.683 4.222 185 HE ARG 24 HE ARG 24 -13.211 -8.641 5.153 186 HH11 ARG 24 HH11 ARG 24 -12.796 -7.279 1.940 187 HH12 ARG 24 HH12 ARG 24 -14.313 -6.412 2.009 188 HH21 ARG 24 HH21 ARG 24 -15.123 -7.448 5.182 189 HH22 ARG 24 HH22 ARG 24 -15.546 -6.488 3.786 190 H GLY 25 H GLY 25 -8.644 -7.505 -0.747 191 HA2 GLY 25 HA2 GLY 25 -9.762 -6.558 -2.551 192 HA3 GLY 25 HA3 GLY 25 -11.299 -6.704 -1.698 193 H VAL 26 H VAL 26 -8.632 -5.088 -0.113 194 HA VAL 26 HA VAL 26 -8.538 -3.067 0.878 195 HB VAL 26 HB VAL 26 -7.236 -2.721 -0.994 196 HG11 VAL 26 HG11 VAL 26 -9.622 -1.655 -2.538 197 HG12 VAL 26 HG12 VAL 26 -7.920 -1.539 -3.028 198 HG13 VAL 26 HG13 VAL 26 -8.683 -3.122 -2.891 199 HG21 VAL 26 HG21 VAL 26 -8.824 -0.180 -0.539 200 HG22 VAL 26 HG22 VAL 26 -7.590 -0.835 0.568 201 HG23 VAL 26 HG23 VAL 26 -7.146 -0.324 -1.066 202 HA PRO 27 HA PRO 27 -13.039 -3.079 1.536 203 HB2 PRO 27 HB2 PRO 27 -12.361 -1.846 4.155 204 HB3 PRO 27 HB3 PRO 27 -13.393 -2.834 3.862 205 HG2 PRO 27 HG2 PRO 27 -11.195 -4.148 4.530 206 HG3 PRO 27 HG3 PRO 27 -11.993 -4.704 3.369 207 HD2 PRO 27 HD2 PRO 27 -9.453 -3.251 2.839 208 HD3 PRO 27 HD3 PRO 27 -10.023 -4.454 2.155 209 H LEU 28 H LEU 28 -11.221 -0.031 2.204 210 HA LEU 28 HA LEU 28 -13.499 1.660 1.985 211 HB2 LEU 28 HB2 LEU 28 -11.945 3.438 2.083 212 HB3 LEU 28 HB3 LEU 28 -11.648 2.391 3.232 213 HG LEU 28 HG LEU 28 -9.645 3.411 2.312 214 HD11 LEU 28 HD11 LEU 28 -8.216 1.515 2.235 215 HD12 LEU 28 HD12 LEU 28 -9.524 0.433 1.751 216 HD13 LEU 28 HD13 LEU 28 -9.516 1.161 3.380 217 HD21 LEU 28 HD21 LEU 28 -10.315 3.554 -0.075 218 HD22 LEU 28 HD22 LEU 28 -10.040 1.804 -0.227 219 HD23 LEU 28 HD23 LEU 28 -8.696 2.879 0.178 220 H SER 29 H SER 29 -11.990 0.041 -0.558 221 HA SER 29 HA SER 29 -13.481 1.693 -2.544 222 HB2 SER 29 HB2 SER 29 -10.738 0.549 -3.110 223 HB3 SER 29 HB3 SER 29 -11.677 1.129 -4.196 224 HG SER 29 HG SER 29 -10.239 2.705 -3.378 225 H GLU 30 H GLU 30 -13.515 -1.216 -1.061 226 HA GLU 30 HA GLU 30 -13.775 -3.130 -3.163 227 HB2 GLU 30 HB2 GLU 30 -13.704 -3.310 -0.457 228 HB3 GLU 30 HB3 GLU 30 -15.236 -3.190 -0.534 229 HG2 GLU 30 HG2 GLU 30 -14.993 -5.256 -2.278 230 HG3 GLU 30 HG3 GLU 30 -13.570 -5.407 -1.756 231 HA PRO 31 HA PRO 31 -17.682 -1.919 -4.981 232 HB2 PRO 31 HB2 PRO 31 -18.441 -4.741 -5.437 233 HB3 PRO 31 HB3 PRO 31 -18.510 -3.614 -6.369 234 HG2 PRO 31 HG2 PRO 31 -16.206 -4.870 -6.748 235 HG3 PRO 31 HG3 PRO 31 -16.184 -3.359 -6.819 236 HD2 PRO 31 HD2 PRO 31 -15.103 -4.728 -4.406 237 HD3 PRO 31 HD3 PRO 31 -14.596 -3.513 -5.128 238 HA PRO 32 HA PRO 32 -20.894 -3.845 -1.877 239 HB2 PRO 32 HB2 PRO 32 -19.421 -4.766 0.488 240 HB3 PRO 32 HB3 PRO 32 -20.601 -5.363 -0.131 241 HG2 PRO 32 HG2 PRO 32 -18.466 -6.698 -0.963 242 HG3 PRO 32 HG3 PRO 32 -19.522 -6.425 -1.993 243 HD2 PRO 32 HD2 PRO 32 -17.076 -4.667 -1.921 244 HD3 PRO 32 HD3 PRO 32 -17.670 -5.372 -3.073 245 H GLN 33 H GLN 33 -18.071 -1.926 -1.029 246 HA GLN 33 HA GLN 33 -19.696 -0.134 0.732 247 HB2 GLN 33 HB2 GLN 33 -16.723 -0.210 0.344 248 HB3 GLN 33 HB3 GLN 33 -17.430 0.963 1.106 249 HG2 GLN 33 HG2 GLN 33 -17.034 -0.384 2.956 250 HG3 GLN 33 HG3 GLN 33 -18.515 -0.637 2.746 251 HE21 GLN 33 HE21 GLN 33 -15.422 -2.061 1.582 252 HE22 GLN 33 HE22 GLN 33 -15.960 -3.740 1.646 253 H ALA 34 H ALA 34 -19.065 -0.461 -2.513 254 HA ALA 34 HA ALA 34 -18.912 0.877 -4.322 255 HB1 ALA 34 HB1 ALA 34 -21.278 0.857 -3.656 256 HB2 ALA 34 HB2 ALA 34 -21.041 2.368 -2.747 257 HB3 ALA 34 HB3 ALA 34 -20.850 2.347 -4.514 258 H LEU 35 H LEU 35 -16.772 1.543 -2.702 259 HA LEU 35 HA LEU 35 -15.136 3.034 -2.309 260 HB2 LEU 35 HB2 LEU 35 -16.122 4.614 -4.641 261 HB3 LEU 35 HB3 LEU 35 -14.707 4.798 -3.946 262 HG LEU 35 HG LEU 35 -14.108 2.386 -4.540 263 HD11 LEU 35 HD11 LEU 35 -15.234 1.537 -6.622 264 HD12 LEU 35 HD12 LEU 35 -16.524 2.733 -6.371 265 HD13 LEU 35 HD13 LEU 35 -16.250 1.420 -5.198 266 HD21 LEU 35 HD21 LEU 35 -13.458 3.055 -6.816 267 HD22 LEU 35 HD22 LEU 35 -13.196 4.367 -5.663 268 HD23 LEU 35 HD23 LEU 35 -14.603 4.416 -6.751 269 HN1 NH2 36 H1 NHE 36 -17.861 3.594 -0.958 270 HN2 NH2 36 H2 NHE 36 -17.626 5.220 -0.343 Start of MODEL 16 1 H1 ARG 1 H1 ARG 1 8.726 12.512 -2.820 2 H2 ARG 1 H2 ARG 1 8.316 11.010 -2.317 3 H3 ARG 1 H3 ARG 1 9.083 11.222 -3.750 4 HA ARG 1 HA ARG 1 10.249 11.822 -1.108 5 HB2 ARG 1 HB2 ARG 1 10.777 9.461 -2.900 6 HB3 ARG 1 HB3 ARG 1 11.895 9.900 -1.935 7 HG2 ARG 1 HG2 ARG 1 9.254 8.932 -0.887 8 HG3 ARG 1 HG3 ARG 1 10.570 8.127 -0.909 9 HD2 ARG 1 HD2 ARG 1 11.601 10.133 0.562 10 HD3 ARG 1 HD3 ARG 1 10.176 10.674 0.707 11 HE ARG 1 HE ARG 1 9.885 7.953 1.416 12 HH11 ARG 1 HH11 ARG 1 11.442 10.828 2.718 13 HH12 ARG 1 HH12 ARG 1 11.580 10.124 4.305 14 HH21 ARG 1 HH21 ARG 1 10.313 7.073 3.345 15 HH22 ARG 1 HH22 ARG 1 10.891 8.058 4.682 16 H ASP 2 H ASP 2 12.592 12.177 -1.181 17 HA ASP 2 HA ASP 2 13.544 13.494 -3.688 18 HB2 ASP 2 HB2 ASP 2 12.782 15.145 -1.886 19 HB3 ASP 2 HB3 ASP 2 13.728 14.578 -0.862 20 HA PRO 3 HA PRO 3 17.487 11.760 -1.694 21 HB2 PRO 3 HB2 PRO 3 17.610 10.384 0.590 22 HB3 PRO 3 HB3 PRO 3 17.570 11.903 0.594 23 HG2 PRO 3 HG2 PRO 3 15.120 10.354 1.275 24 HG3 PRO 3 HG3 PRO 3 15.642 11.544 1.939 25 HD2 PRO 3 HD2 PRO 3 13.837 12.213 0.043 26 HD3 PRO 3 HD3 PRO 3 15.001 13.160 0.360 27 H LEU 4 H LEU 4 14.675 9.628 -1.273 28 HA LEU 4 HA LEU 4 14.194 7.503 -1.860 29 HB2 LEU 4 HB2 LEU 4 14.478 9.129 -4.121 30 HB3 LEU 4 HB3 LEU 4 15.296 7.967 -4.606 31 HG LEU 4 HG LEU 4 12.464 7.577 -3.516 32 HD11 LEU 4 HD11 LEU 4 13.461 7.683 -6.390 33 HD12 LEU 4 HD12 LEU 4 12.512 8.940 -5.566 34 HD13 LEU 4 HD13 LEU 4 11.793 7.351 -5.871 35 HD21 LEU 4 HD21 LEU 4 14.196 5.638 -5.103 36 HD22 LEU 4 HD22 LEU 4 12.492 5.389 -4.657 37 HD23 LEU 4 HD23 LEU 4 13.731 5.466 -3.399 38 H LEU 5 H LEU 5 16.695 7.462 -0.524 39 HA LEU 5 HA LEU 5 18.573 5.754 -1.926 40 HB2 LEU 5 HB2 LEU 5 18.499 6.319 1.022 41 HB3 LEU 5 HB3 LEU 5 19.682 5.617 0.309 42 HG LEU 5 HG LEU 5 18.851 8.468 -0.371 43 HD11 LEU 5 HD11 LEU 5 19.804 8.222 1.888 44 HD12 LEU 5 HD12 LEU 5 20.899 9.104 0.811 45 HD13 LEU 5 HD13 LEU 5 21.224 7.400 1.204 46 HD21 LEU 5 HD21 LEU 5 19.938 7.454 -2.316 47 HD22 LEU 5 HD22 LEU 5 21.254 6.831 -1.291 48 HD23 LEU 5 HD23 LEU 5 21.048 8.581 -1.538 49 H ASP 6 H ASP 6 15.846 5.047 0.170 50 HA ASP 6 HA ASP 6 16.214 2.139 -0.356 51 HB2 ASP 6 HB2 ASP 6 17.149 3.021 1.999 52 HB3 ASP 6 HB3 ASP 6 15.713 3.232 2.438 53 H ALA 7 H ALA 7 14.081 4.685 -0.469 54 HA ALA 7 HA ALA 7 11.698 3.762 0.688 55 HB1 ALA 7 HB1 ALA 7 12.083 6.058 -0.083 56 HB2 ALA 7 HB2 ALA 7 12.058 5.505 -1.777 57 HB3 ALA 7 HB3 ALA 7 10.600 5.381 -0.778 58 H NLE 8 H NLE 8 13.062 2.937 -2.486 59 HA NLE 8 HA NLE 8 10.822 1.759 -3.663 60 HB2 NLE 8 HB2 NLE 8 12.221 0.844 -5.273 61 HB3 NLE 8 HB3 NLE 8 12.973 2.351 -4.804 62 HG2 NLE 8 HG2 NLE 8 13.832 -0.465 -3.972 63 HG3 NLE 8 HG3 NLE 8 14.587 0.522 -5.204 64 HD2 NLE 8 HD2 NLE 8 14.581 1.130 -2.219 65 HD3 NLE 8 HD3 NLE 8 15.910 0.457 -3.154 66 HE1 NLE 8 HE1 NLE 8 16.318 2.822 -2.829 67 HE2 NLE 8 HE2 NLE 8 15.979 2.539 -4.545 68 HE3 NLE 8 HE3 NLE 8 14.733 3.247 -3.492 69 H ARG 9 H ARG 9 12.680 0.426 -1.050 70 HA ARG 9 HA ARG 9 11.422 -2.280 -1.360 71 HB2 ARG 9 HB2 ARG 9 13.237 -1.457 0.880 72 HB3 ARG 9 HB3 ARG 9 12.711 -2.892 0.621 73 HG2 ARG 9 HG2 ARG 9 13.988 -2.688 -1.734 74 HG3 ARG 9 HG3 ARG 9 14.637 -1.418 -1.220 75 HD2 ARG 9 HD2 ARG 9 15.131 -4.083 0.111 76 HD3 ARG 9 HD3 ARG 9 16.152 -3.247 -0.686 77 HE ARG 9 HE ARG 9 15.949 -1.402 1.077 78 HH11 ARG 9 HH11 ARG 9 15.416 -4.752 2.000 79 HH12 ARG 9 HH12 ARG 9 15.598 -4.382 3.693 80 HH21 ARG 9 HH21 ARG 9 15.995 -0.989 3.179 81 HH22 ARG 9 HH22 ARG 9 15.982 -2.297 4.347 82 H ARG 10 H ARG 10 11.770 0.099 1.261 83 HA ARG 10 HA ARG 10 9.737 -1.102 2.862 84 HB2 ARG 10 HB2 ARG 10 10.432 0.568 4.453 85 HB3 ARG 10 HB3 ARG 10 11.693 0.018 3.751 86 HG2 ARG 10 HG2 ARG 10 11.158 2.270 2.154 87 HG3 ARG 10 HG3 ARG 10 10.490 2.761 3.410 88 HD2 ARG 10 HD2 ARG 10 13.411 1.952 3.405 89 HD3 ARG 10 HD3 ARG 10 12.895 3.407 3.352 90 HE ARG 10 HE ARG 10 11.704 2.886 5.618 91 HH11 ARG 10 HH11 ARG 10 14.830 1.448 4.723 92 HH12 ARG 10 HH12 ARG 10 15.340 1.433 6.389 93 HH21 ARG 10 HH21 ARG 10 12.456 2.751 7.684 94 HH22 ARG 10 HH22 ARG 10 14.041 2.113 8.001 95 H GLU 11 H GLU 11 9.528 1.796 0.821 96 HA GLU 11 HA GLU 11 6.654 2.164 1.558 97 HB2 GLU 11 HB2 GLU 11 8.421 3.951 -0.102 98 HB3 GLU 11 HB3 GLU 11 6.926 4.211 0.059 99 HG2 GLU 11 HG2 GLU 11 7.071 4.618 2.457 100 HG3 GLU 11 HG3 GLU 11 8.310 3.769 2.695 101 H GLY 12 H GLY 12 8.735 1.158 -1.145 102 HA2 GLY 12 HA2 GLY 12 6.807 0.775 -3.178 103 HA3 GLY 12 HA3 GLY 12 8.235 -0.234 -2.913 104 H ALA 13 H ALA 13 7.636 -1.439 -0.434 105 HA ALA 13 HA ALA 13 5.738 -3.469 -1.040 106 HB1 ALA 13 HB1 ALA 13 7.603 -3.774 0.516 107 HB2 ALA 13 HB2 ALA 13 6.901 -2.581 1.634 108 HB3 ALA 13 HB3 ALA 13 6.062 -4.116 1.321 109 H NLE 14 H NLE 14 5.378 -0.605 1.129 110 HA NLE 14 HA NLE 14 2.704 -1.121 1.927 111 HB2 NLE 14 HB2 NLE 14 4.235 1.487 1.703 112 HB3 NLE 14 HB3 NLE 14 2.614 1.352 2.398 113 HG2 NLE 14 HG2 NLE 14 3.460 -0.333 4.033 114 HG3 NLE 14 HG3 NLE 14 5.098 -0.083 3.435 115 HD2 NLE 14 HD2 NLE 14 3.322 2.050 4.707 116 HD3 NLE 14 HD3 NLE 14 4.604 1.160 5.528 117 HE1 NLE 14 HE1 NLE 14 4.997 3.102 3.209 118 HE2 NLE 14 HE2 NLE 14 5.403 3.377 4.910 119 HE3 NLE 14 HE3 NLE 14 6.289 2.151 3.988 120 H ASP 15 H ASP 15 3.933 0.561 -0.955 121 HA ASP 15 HA ASP 15 1.476 1.574 -1.927 122 HB2 ASP 15 HB2 ASP 15 3.945 2.013 -2.728 123 HB3 ASP 15 HB3 ASP 15 3.915 0.726 -3.525 124 H PHE 16 H PHE 16 2.446 -1.760 -1.857 125 HA PHE 16 HA PHE 16 0.047 -2.378 -3.534 126 HB2 PHE 16 HB2 PHE 16 1.108 -4.213 -4.523 127 HB3 PHE 16 HB3 PHE 16 2.030 -2.993 -4.774 128 HD1 PHE 16 HD1 PHE 16 1.677 -5.903 -2.404 129 HD2 PHE 16 HD2 PHE 16 4.352 -3.120 -4.329 130 HE1 PHE 16 HE1 PHE 16 3.623 -7.201 -1.581 131 HE2 PHE 16 HE2 PHE 16 6.295 -4.442 -3.535 132 HZ PHE 16 HZ PHE 16 5.936 -6.480 -2.150 133 H TRP 17 H TRP 17 1.619 -2.967 -0.442 134 HA TRP 17 HA TRP 17 -0.228 -4.981 0.484 135 HB2 TRP 17 HB2 TRP 17 1.781 -4.190 1.789 136 HB3 TRP 17 HB3 TRP 17 1.253 -2.736 1.883 137 HD1 TRP 17 HD1 TRP 17 0.020 -2.043 3.973 138 HE1 TRP 17 HE1 TRP 17 -1.136 -3.211 5.945 139 HE3 TRP 17 HE3 TRP 17 0.228 -6.885 2.289 140 HZ2 TRP 17 HZ2 TRP 17 -1.834 -5.896 6.719 141 HZ3 TRP 17 HZ3 TRP 17 -0.680 -8.732 3.682 142 HH2 TRP 17 HH2 TRP 17 -1.680 -8.256 5.905 143 H SER 18 H SER 18 -0.416 -1.376 0.537 144 HA SER 18 HA SER 18 -3.025 -1.220 1.677 145 HB2 SER 18 HB2 SER 18 -2.873 1.157 0.950 146 HB3 SER 18 HB3 SER 18 -1.564 0.705 1.633 147 HG SER 18 HG SER 18 -0.491 0.619 -0.255 148 H ALA 19 H ALA 19 -2.097 -1.924 -1.637 149 HA ALA 19 HA ALA 19 -4.689 -1.450 -2.823 150 HB1 ALA 19 HB1 ALA 19 -2.531 -1.405 -4.067 151 HB2 ALA 19 HB2 ALA 19 -2.368 -3.159 -3.813 152 HB3 ALA 19 HB3 ALA 19 -3.709 -2.522 -4.779 153 H GLY 20 H GLY 20 -3.739 -3.900 -0.677 154 HA2 GLY 20 HA2 GLY 20 -6.068 -5.626 -1.493 155 HA3 GLY 20 HA3 GLY 20 -4.520 -6.303 -0.989 156 H ABA 21 H ABU 21 -4.152 -4.270 1.120 157 HA ABA 21 HA ABU 21 -4.310 -4.136 3.340 158 HB3 ABA 21 HB3 ABU 21 -7.223 -3.583 2.711 159 HB2 ABA 21 HB2 ABU 21 -5.891 -2.471 2.379 160 HG1 ABA 21 HG1 ABU 21 -6.958 -1.855 4.475 161 HG3 ABA 21 HG3 ABU 21 -5.312 -2.437 4.802 162 HG2 ABA 21 HG2 ABU 21 -6.714 -3.483 5.132 163 H TYR 22 H TYR 22 -3.760 -6.129 4.145 164 HA TYR 22 HA TYR 22 -3.898 -8.142 5.127 165 HB2 TYR 22 HB2 TYR 22 -6.735 -7.767 5.920 166 HB3 TYR 22 HB3 TYR 22 -5.705 -8.737 6.577 167 HD1 TYR 22 HD1 TYR 22 -3.676 -7.881 7.874 168 HD2 TYR 22 HD2 TYR 22 -6.937 -5.355 6.615 169 HE1 TYR 22 HE1 TYR 22 -3.033 -6.189 9.594 170 HE2 TYR 22 HE2 TYR 22 -6.295 -3.664 8.328 171 HH TYR 22 HH TYR 22 -4.851 -3.128 10.026 172 H ALA 23 H ALA 23 -4.523 -7.887 2.281 173 HA ALA 23 HA ALA 23 -5.387 -8.960 0.484 174 HB1 ALA 23 HB1 ALA 23 -4.953 -11.357 0.409 175 HB2 ALA 23 HB2 ALA 23 -3.636 -10.515 1.244 176 HB3 ALA 23 HB3 ALA 23 -4.844 -11.424 2.180 177 H ARG 24 H ARG 24 -7.359 -7.870 1.956 178 HA ARG 24 HA ARG 24 -9.669 -9.779 2.022 179 HB2 ARG 24 HB2 ARG 24 -8.893 -8.839 4.157 180 HB3 ARG 24 HB3 ARG 24 -8.913 -7.336 3.648 181 HG2 ARG 24 HG2 ARG 24 -10.838 -7.627 5.055 182 HG3 ARG 24 HG3 ARG 24 -11.241 -7.116 3.671 183 HD2 ARG 24 HD2 ARG 24 -11.844 -9.677 3.122 184 HD3 ARG 24 HD3 ARG 24 -11.515 -10.008 4.583 185 HE ARG 24 HE ARG 24 -13.521 -9.097 5.305 186 HH11 ARG 24 HH11 ARG 24 -12.841 -7.640 2.176 187 HH12 ARG 24 HH12 ARG 24 -14.393 -6.832 2.116 188 HH21 ARG 24 HH21 ARG 24 -15.474 -7.988 5.160 189 HH22 ARG 24 HH22 ARG 24 -15.794 -7.014 3.747 190 H GLY 25 H GLY 25 -8.502 -7.865 -0.185 191 HA2 GLY 25 HA2 GLY 25 -9.564 -7.153 -2.132 192 HA3 GLY 25 HA3 GLY 25 -11.137 -7.302 -1.346 193 H VAL 26 H VAL 26 -8.547 -5.405 0.093 194 HA VAL 26 HA VAL 26 -8.564 -3.292 0.899 195 HB VAL 26 HB VAL 26 -7.325 -3.094 -1.055 196 HG11 VAL 26 HG11 VAL 26 -9.796 -2.235 -2.597 197 HG12 VAL 26 HG12 VAL 26 -8.118 -2.104 -3.155 198 HG13 VAL 26 HG13 VAL 26 -8.818 -3.693 -2.862 199 HG21 VAL 26 HG21 VAL 26 -8.967 -0.570 -0.757 200 HG22 VAL 26 HG22 VAL 26 -7.677 -1.098 0.355 201 HG23 VAL 26 HG23 VAL 26 -7.300 -0.718 -1.330 202 HA PRO 27 HA PRO 27 -13.102 -3.456 1.526 203 HB2 PRO 27 HB2 PRO 27 -12.470 -2.127 4.111 204 HB3 PRO 27 HB3 PRO 27 -13.482 -3.145 3.839 205 HG2 PRO 27 HG2 PRO 27 -11.274 -4.395 4.571 206 HG3 PRO 27 HG3 PRO 27 -12.035 -4.998 3.409 207 HD2 PRO 27 HD2 PRO 27 -9.523 -3.484 2.885 208 HD3 PRO 27 HD3 PRO 27 -10.036 -4.734 2.242 209 H LEU 28 H LEU 28 -11.321 -0.368 2.073 210 HA LEU 28 HA LEU 28 -13.617 1.292 1.786 211 HB2 LEU 28 HB2 LEU 28 -12.075 3.087 1.804 212 HB3 LEU 28 HB3 LEU 28 -11.779 2.097 3.003 213 HG LEU 28 HG LEU 28 -9.774 3.080 2.057 214 HD11 LEU 28 HD11 LEU 28 -8.336 1.197 2.069 215 HD12 LEU 28 HD12 LEU 28 -9.623 0.086 1.598 216 HD13 LEU 28 HD13 LEU 28 -9.648 0.864 3.205 217 HD21 LEU 28 HD21 LEU 28 -10.423 3.139 -0.335 218 HD22 LEU 28 HD22 LEU 28 -10.162 1.385 -0.424 219 HD23 LEU 28 HD23 LEU 28 -8.809 2.461 -0.052 220 H SER 29 H SER 29 -12.084 -0.424 -0.682 221 HA SER 29 HA SER 29 -13.598 1.116 -2.737 222 HB2 SER 29 HB2 SER 29 -10.820 0.030 -3.260 223 HB3 SER 29 HB3 SER 29 -11.769 0.570 -4.360 224 HG SER 29 HG SER 29 -10.344 2.175 -3.549 225 H GLU 30 H GLU 30 -13.535 -1.751 -1.161 226 HA GLU 30 HA GLU 30 -13.718 -3.756 -3.162 227 HB2 GLU 30 HB2 GLU 30 -13.748 -3.811 -0.464 228 HB3 GLU 30 HB3 GLU 30 -15.279 -3.682 -0.590 229 HG2 GLU 30 HG2 GLU 30 -15.023 -5.834 -2.211 230 HG3 GLU 30 HG3 GLU 30 -13.609 -5.975 -1.657 231 HA PRO 31 HA PRO 31 -17.517 -2.696 -5.250 232 HB2 PRO 31 HB2 PRO 31 -18.260 -5.544 -5.559 233 HB3 PRO 31 HB3 PRO 31 -18.284 -4.480 -6.562 234 HG2 PRO 31 HG2 PRO 31 -15.964 -5.744 -6.743 235 HG3 PRO 31 HG3 PRO 31 -15.939 -4.241 -6.909 236 HD2 PRO 31 HD2 PRO 31 -14.970 -5.446 -4.365 237 HD3 PRO 31 HD3 PRO 31 -14.440 -4.272 -5.135 238 HA PRO 32 HA PRO 32 -20.923 -4.377 -2.229 239 HB2 PRO 32 HB2 PRO 32 -19.635 -5.196 0.273 240 HB3 PRO 32 HB3 PRO 32 -20.773 -5.815 -0.406 241 HG2 PRO 32 HG2 PRO 32 -18.586 -7.200 -0.990 242 HG3 PRO 32 HG3 PRO 32 -19.566 -6.990 -2.111 243 HD2 PRO 32 HD2 PRO 32 -17.118 -5.239 -1.971 244 HD3 PRO 32 HD3 PRO 32 -17.635 -6.010 -3.118 245 H GLN 33 H GLN 33 -18.109 -2.478 -1.303 246 HA GLN 33 HA GLN 33 -19.778 -0.565 0.274 247 HB2 GLN 33 HB2 GLN 33 -16.792 -0.696 -0.006 248 HB3 GLN 33 HB3 GLN 33 -17.509 0.531 0.655 249 HG2 GLN 33 HG2 GLN 33 -17.205 -0.700 2.599 250 HG3 GLN 33 HG3 GLN 33 -18.675 -0.963 2.348 251 HE21 GLN 33 HE21 GLN 33 -15.525 -2.459 1.500 252 HE22 GLN 33 HE22 GLN 33 -16.077 -4.130 1.598 253 H ALA 34 H ALA 34 -18.888 -1.068 -2.928 254 HA ALA 34 HA ALA 34 -18.642 0.193 -4.786 255 HB1 ALA 34 HB1 ALA 34 -21.050 0.064 -4.323 256 HB2 ALA 34 HB2 ALA 34 -20.978 1.624 -3.473 257 HB3 ALA 34 HB3 ALA 34 -20.633 1.536 -5.215 258 H LEU 35 H LEU 35 -16.672 1.044 -3.076 259 HA LEU 35 HA LEU 35 -15.178 2.643 -2.575 260 HB2 LEU 35 HB2 LEU 35 -15.953 4.152 -5.029 261 HB3 LEU 35 HB3 LEU 35 -14.606 4.294 -4.227 262 HG LEU 35 HG LEU 35 -14.318 1.663 -4.723 263 HD11 LEU 35 HD11 LEU 35 -15.043 1.157 -7.028 264 HD12 LEU 35 HD12 LEU 35 -15.952 2.683 -7.089 265 HD13 LEU 35 HD13 LEU 35 -16.437 1.387 -5.976 266 HD21 LEU 35 HD21 LEU 35 -12.970 2.298 -6.683 267 HD22 LEU 35 HD22 LEU 35 -12.734 3.426 -5.343 268 HD23 LEU 35 HD23 LEU 35 -13.762 3.892 -6.718 269 HN1 NH2 36 H1 NHE 36 -18.032 3.119 -1.500 270 HN2 NH2 36 H2 NHE 36 -17.939 4.783 -0.954 Start of MODEL 17 1 H1 ARG 1 H1 ARG 1 7.996 12.454 -3.186 2 H2 ARG 1 H2 ARG 1 7.629 10.925 -2.736 3 H3 ARG 1 H3 ARG 1 8.386 11.207 -4.161 4 HA ARG 1 HA ARG 1 9.541 11.747 -1.503 5 HB2 ARG 1 HB2 ARG 1 10.072 9.443 -3.362 6 HB3 ARG 1 HB3 ARG 1 11.237 9.891 -2.462 7 HG2 ARG 1 HG2 ARG 1 8.678 8.874 -1.263 8 HG3 ARG 1 HG3 ARG 1 9.993 8.080 -1.385 9 HD2 ARG 1 HD2 ARG 1 11.116 10.061 0.044 10 HD3 ARG 1 HD3 ARG 1 9.705 10.605 0.287 11 HE ARG 1 HE ARG 1 9.458 7.875 0.983 12 HH11 ARG 1 HH11 ARG 1 11.095 10.739 2.211 13 HH12 ARG 1 HH12 ARG 1 11.325 10.025 3.781 14 HH21 ARG 1 HH21 ARG 1 9.986 6.987 2.882 15 HH22 ARG 1 HH22 ARG 1 10.640 7.963 4.190 16 H ASP 2 H ASP 2 11.883 12.150 -1.573 17 HA ASP 2 HA ASP 2 12.813 13.546 -4.040 18 HB2 ASP 2 HB2 ASP 2 11.917 15.165 -2.271 19 HB3 ASP 2 HB3 ASP 2 12.862 14.655 -1.217 20 HA PRO 3 HA PRO 3 16.788 12.054 -1.923 21 HB2 PRO 3 HB2 PRO 3 16.927 10.697 0.370 22 HB3 PRO 3 HB3 PRO 3 16.802 12.211 0.363 23 HG2 PRO 3 HG2 PRO 3 14.425 10.528 0.988 24 HG3 PRO 3 HG3 PRO 3 14.861 11.751 1.659 25 HD2 PRO 3 HD2 PRO 3 13.073 12.300 -0.291 26 HD3 PRO 3 HD3 PRO 3 14.170 13.317 0.051 27 H LEU 4 H LEU 4 14.095 9.766 -1.574 28 HA LEU 4 HA LEU 4 13.731 7.632 -2.208 29 HB2 LEU 4 HB2 LEU 4 14.040 9.303 -4.436 30 HB3 LEU 4 HB3 LEU 4 14.918 8.177 -4.900 31 HG LEU 4 HG LEU 4 12.058 7.682 -3.935 32 HD11 LEU 4 HD11 LEU 4 13.182 7.845 -6.760 33 HD12 LEU 4 HD12 LEU 4 12.152 9.062 -5.972 34 HD13 LEU 4 HD13 LEU 4 11.504 7.452 -6.321 35 HD21 LEU 4 HD21 LEU 4 13.917 5.813 -5.461 36 HD22 LEU 4 HD22 LEU 4 12.206 5.505 -5.081 37 HD23 LEU 4 HD23 LEU 4 13.395 5.612 -3.778 38 H LEU 5 H LEU 5 16.220 7.718 -0.799 39 HA LEU 5 HA LEU 5 18.204 6.103 -2.149 40 HB2 LEU 5 HB2 LEU 5 18.002 6.599 0.807 41 HB3 LEU 5 HB3 LEU 5 19.237 5.968 0.120 42 HG LEU 5 HG LEU 5 18.305 8.797 -0.514 43 HD11 LEU 5 HD11 LEU 5 19.216 8.518 1.761 44 HD12 LEU 5 HD12 LEU 5 20.293 9.484 0.739 45 HD13 LEU 5 HD13 LEU 5 20.688 7.784 1.084 46 HD21 LEU 5 HD21 LEU 5 19.476 7.896 -2.460 47 HD22 LEU 5 HD22 LEU 5 20.788 7.278 -1.425 48 HD23 LEU 5 HD23 LEU 5 20.532 9.028 -1.617 49 H ASP 6 H ASP 6 15.466 5.250 -0.107 50 HA ASP 6 HA ASP 6 15.926 2.378 -0.729 51 HB2 ASP 6 HB2 ASP 6 16.832 3.210 1.664 52 HB3 ASP 6 HB3 ASP 6 15.393 3.340 2.107 53 H ALA 7 H ALA 7 13.731 4.825 -0.858 54 HA ALA 7 HA ALA 7 11.362 3.877 0.304 55 HB1 ALA 7 HB1 ALA 7 11.708 6.155 -0.566 56 HB2 ALA 7 HB2 ALA 7 11.672 5.524 -2.231 57 HB3 ALA 7 HB3 ALA 7 10.232 5.414 -1.208 58 H NLE 8 H NLE 8 12.763 3.020 -2.846 59 HA NLE 8 HA NLE 8 10.586 1.687 -3.978 60 HB2 NLE 8 HB2 NLE 8 12.029 0.823 -5.575 61 HB3 NLE 8 HB3 NLE 8 12.697 2.378 -5.142 62 HG2 NLE 8 HG2 NLE 8 13.714 -0.369 -4.262 63 HG3 NLE 8 HG3 NLE 8 14.415 0.644 -5.506 64 HD2 NLE 8 HD2 NLE 8 14.364 1.295 -2.530 65 HD3 NLE 8 HD3 NLE 8 15.731 0.676 -3.447 66 HE1 NLE 8 HE1 NLE 8 16.004 3.070 -3.152 67 HE2 NLE 8 HE2 NLE 8 15.715 2.731 -4.867 68 HE3 NLE 8 HE3 NLE 8 14.412 3.394 -3.853 69 H ARG 9 H ARG 9 12.527 0.532 -1.337 70 HA ARG 9 HA ARG 9 11.413 -2.247 -1.586 71 HB2 ARG 9 HB2 ARG 9 13.263 -1.272 0.572 72 HB3 ARG 9 HB3 ARG 9 12.743 -2.726 0.430 73 HG2 ARG 9 HG2 ARG 9 13.912 -2.641 -2.002 74 HG3 ARG 9 HG3 ARG 9 14.593 -1.361 -1.561 75 HD2 ARG 9 HD2 ARG 9 15.102 -3.985 -0.151 76 HD3 ARG 9 HD3 ARG 9 16.102 -3.197 -1.010 77 HE ARG 9 HE ARG 9 15.860 -1.255 0.719 78 HH11 ARG 9 HH11 ARG 9 15.805 -4.643 1.642 79 HH12 ARG 9 HH12 ARG 9 16.107 -4.262 3.315 80 HH21 ARG 9 HH21 ARG 9 16.037 -0.842 2.812 81 HH22 ARG 9 HH22 ARG 9 16.311 -2.142 3.959 82 H ARG 10 H ARG 10 11.674 0.199 0.994 83 HA ARG 10 HA ARG 10 9.710 -1.050 2.634 84 HB2 ARG 10 HB2 ARG 10 10.227 0.770 4.142 85 HB3 ARG 10 HB3 ARG 10 11.538 0.229 3.520 86 HG2 ARG 10 HG2 ARG 10 10.891 2.379 1.784 87 HG3 ARG 10 HG3 ARG 10 10.273 2.906 3.054 88 HD2 ARG 10 HD2 ARG 10 13.206 2.134 2.953 89 HD3 ARG 10 HD3 ARG 10 12.672 3.581 2.838 90 HE ARG 10 HE ARG 10 11.587 3.202 5.170 91 HH11 ARG 10 HH11 ARG 10 14.659 1.656 4.258 92 HH12 ARG 10 HH12 ARG 10 15.236 1.762 5.896 93 HH21 ARG 10 HH21 ARG 10 12.423 3.209 7.205 94 HH22 ARG 10 HH22 ARG 10 14.012 2.572 7.504 95 H GLU 11 H GLU 11 9.318 1.842 0.576 96 HA GLU 11 HA GLU 11 6.420 1.986 1.255 97 HB2 GLU 11 HB2 GLU 11 8.048 3.830 -0.481 98 HB3 GLU 11 HB3 GLU 11 6.542 3.997 -0.304 99 HG2 GLU 11 HG2 GLU 11 6.685 4.540 2.054 100 HG3 GLU 11 HG3 GLU 11 7.931 3.722 2.341 101 H GLY 12 H GLY 12 8.560 1.045 -1.427 102 HA2 GLY 12 HA2 GLY 12 6.659 0.527 -3.451 103 HA3 GLY 12 HA3 GLY 12 8.151 -0.385 -3.189 104 H ALA 13 H ALA 13 7.656 -1.642 -0.723 105 HA ALA 13 HA ALA 13 5.867 -3.772 -1.354 106 HB1 ALA 13 HB1 ALA 13 7.797 -4.022 0.133 107 HB2 ALA 13 HB2 ALA 13 7.061 -2.912 1.315 108 HB3 ALA 13 HB3 ALA 13 6.303 -4.483 0.969 109 H NLE 14 H NLE 14 5.408 -0.969 0.873 110 HA NLE 14 HA NLE 14 2.783 -1.666 1.718 111 HB2 NLE 14 HB2 NLE 14 4.166 1.027 1.526 112 HB3 NLE 14 HB3 NLE 14 2.556 0.799 2.223 113 HG2 NLE 14 HG2 NLE 14 3.486 -0.864 3.830 114 HG3 NLE 14 HG3 NLE 14 5.108 -0.532 3.232 115 HD2 NLE 14 HD2 NLE 14 3.243 1.503 4.538 116 HD3 NLE 14 HD3 NLE 14 4.561 0.654 5.347 117 HE1 NLE 14 HE1 NLE 14 4.877 2.647 3.058 118 HE2 NLE 14 HE2 NLE 14 5.263 2.914 4.766 119 HE3 NLE 14 HE3 NLE 14 6.205 1.741 3.829 120 H ASP 15 H ASP 15 3.850 0.117 -1.178 121 HA ASP 15 HA ASP 15 1.289 0.936 -2.095 122 HB2 ASP 15 HB2 ASP 15 3.680 1.595 -2.952 123 HB3 ASP 15 HB3 ASP 15 3.769 0.300 -3.727 124 H PHE 16 H PHE 16 2.613 -2.299 -2.103 125 HA PHE 16 HA PHE 16 0.270 -3.147 -3.758 126 HB2 PHE 16 HB2 PHE 16 1.495 -4.939 -4.645 127 HB3 PHE 16 HB3 PHE 16 2.239 -3.611 -4.991 128 HD1 PHE 16 HD1 PHE 16 2.373 -6.305 -2.328 129 HD2 PHE 16 HD2 PHE 16 4.566 -3.556 -4.828 130 HE1 PHE 16 HE1 PHE 16 4.506 -7.335 -1.596 131 HE2 PHE 16 HE2 PHE 16 6.693 -4.614 -4.122 132 HZ PHE 16 HZ PHE 16 6.670 -6.504 -2.501 133 H TRP 17 H TRP 17 1.658 -3.410 -0.587 134 HA TRP 17 HA TRP 17 -0.151 -5.531 0.291 135 HB2 TRP 17 HB2 TRP 17 1.741 -4.644 1.716 136 HB3 TRP 17 HB3 TRP 17 1.176 -3.207 1.723 137 HD1 TRP 17 HD1 TRP 17 -0.305 -2.485 3.652 138 HE1 TRP 17 HE1 TRP 17 -1.578 -3.630 5.564 139 HE3 TRP 17 HE3 TRP 17 0.280 -7.371 2.206 140 HZ2 TRP 17 HZ2 TRP 17 -2.230 -6.317 6.384 141 HZ3 TRP 17 HZ3 TRP 17 -0.667 -9.206 3.592 142 HH2 TRP 17 HH2 TRP 17 -1.887 -8.693 5.693 143 H SER 18 H SER 18 -0.383 -1.925 0.331 144 HA SER 18 HA SER 18 -3.065 -1.820 1.278 145 HB2 SER 18 HB2 SER 18 -2.872 0.584 0.689 146 HB3 SER 18 HB3 SER 18 -1.599 0.103 1.418 147 HG SER 18 HG SER 18 -0.433 0.070 -0.430 148 H ALA 19 H ALA 19 -1.954 -2.551 -1.940 149 HA ALA 19 HA ALA 19 -4.345 -1.961 -3.396 150 HB1 ALA 19 HB1 ALA 19 -2.122 -2.397 -4.412 151 HB2 ALA 19 HB2 ALA 19 -2.228 -4.098 -3.891 152 HB3 ALA 19 HB3 ALA 19 -3.378 -3.457 -5.079 153 H GLY 20 H GLY 20 -3.816 -4.391 -0.995 154 HA2 GLY 20 HA2 GLY 20 -6.462 -5.640 -1.642 155 HA3 GLY 20 HA3 GLY 20 -5.041 -6.657 -1.410 156 H ABA 21 H ABU 21 -4.110 -4.758 0.781 157 HA ABA 21 HA ABU 21 -3.949 -4.893 3.009 158 HB3 ABA 21 HB3 ABU 21 -6.769 -3.799 2.848 159 HB2 ABA 21 HB2 ABU 21 -5.318 -2.896 2.398 160 HG1 ABA 21 HG1 ABU 21 -5.972 -2.327 4.675 161 HG3 ABA 21 HG3 ABU 21 -4.420 -3.185 4.701 162 HG2 ABA 21 HG2 ABU 21 -5.917 -4.029 5.165 163 H TYR 22 H TYR 22 -3.674 -6.911 3.751 164 HA TYR 22 HA TYR 22 -4.009 -8.938 4.649 165 HB2 TYR 22 HB2 TYR 22 -6.879 -8.477 5.258 166 HB3 TYR 22 HB3 TYR 22 -5.959 -9.576 5.883 167 HD1 TYR 22 HD1 TYR 22 -3.899 -8.922 7.315 168 HD2 TYR 22 HD2 TYR 22 -7.127 -6.237 6.324 169 HE1 TYR 22 HE1 TYR 22 -3.339 -7.511 9.296 170 HE2 TYR 22 HE2 TYR 22 -6.575 -4.836 8.306 171 HH TYR 22 HH TYR 22 -5.213 -4.571 10.133 172 H ALA 23 H ALA 23 -4.516 -8.305 1.775 173 HA ALA 23 HA ALA 23 -5.401 -9.109 -0.150 174 HB1 ALA 23 HB1 ALA 23 -5.045 -11.487 -0.541 175 HB2 ALA 23 HB2 ALA 23 -3.705 -10.808 0.400 176 HB3 ALA 23 HB3 ALA 23 -4.947 -11.792 1.206 177 H ARG 24 H ARG 24 -7.323 -8.196 1.547 178 HA ARG 24 HA ARG 24 -9.649 -10.057 1.595 179 HB2 ARG 24 HB2 ARG 24 -8.782 -8.944 3.653 180 HB3 ARG 24 HB3 ARG 24 -8.871 -7.489 3.022 181 HG2 ARG 24 HG2 ARG 24 -10.766 -7.639 4.451 182 HG3 ARG 24 HG3 ARG 24 -11.255 -7.408 3.029 183 HD2 ARG 24 HD2 ARG 24 -11.647 -10.075 2.931 184 HD3 ARG 24 HD3 ARG 24 -11.239 -10.130 4.407 185 HE ARG 24 HE ARG 24 -13.262 -9.195 5.091 186 HH11 ARG 24 HH11 ARG 24 -12.900 -8.481 1.652 187 HH12 ARG 24 HH12 ARG 24 -14.504 -7.774 1.569 188 HH21 ARG 24 HH21 ARG 24 -15.270 -8.187 4.855 189 HH22 ARG 24 HH22 ARG 24 -15.711 -7.546 3.290 190 H GLY 25 H GLY 25 -8.519 -7.429 -0.241 191 HA2 GLY 25 HA2 GLY 25 -9.713 -6.675 -2.210 192 HA3 GLY 25 HA3 GLY 25 -11.248 -6.865 -1.364 193 H VAL 26 H VAL 26 -8.557 -5.396 0.316 194 HA VAL 26 HA VAL 26 -8.408 -3.466 1.445 195 HB VAL 26 HB VAL 26 -7.124 -2.986 -0.390 196 HG11 VAL 26 HG11 VAL 26 -9.533 -1.877 -1.858 197 HG12 VAL 26 HG12 VAL 26 -7.837 -1.655 -2.341 198 HG13 VAL 26 HG13 VAL 26 -8.536 -3.273 -2.311 199 HG21 VAL 26 HG21 VAL 26 -8.718 -0.488 0.251 200 HG22 VAL 26 HG22 VAL 26 -7.447 -1.204 1.277 201 HG23 VAL 26 HG23 VAL 26 -7.056 -0.573 -0.328 202 HA PRO 27 HA PRO 27 -12.855 -3.271 2.329 203 HB2 PRO 27 HB2 PRO 27 -11.963 -2.245 4.970 204 HB3 PRO 27 HB3 PRO 27 -13.064 -3.155 4.678 205 HG2 PRO 27 HG2 PRO 27 -10.915 -4.620 5.154 206 HG3 PRO 27 HG3 PRO 27 -11.790 -5.072 4.008 207 HD2 PRO 27 HD2 PRO 27 -9.214 -3.701 3.425 208 HD3 PRO 27 HD3 PRO 27 -9.869 -4.844 2.713 209 H LEU 28 H LEU 28 -10.798 -0.381 3.047 210 HA LEU 28 HA LEU 28 -13.010 1.439 2.988 211 HB2 LEU 28 HB2 LEU 28 -11.384 3.133 3.210 212 HB3 LEU 28 HB3 LEU 28 -11.133 1.997 4.283 213 HG LEU 28 HG LEU 28 -9.088 2.997 3.432 214 HD11 LEU 28 HD11 LEU 28 -7.740 1.050 3.218 215 HD12 LEU 28 HD12 LEU 28 -9.095 0.061 2.669 216 HD13 LEU 28 HD13 LEU 28 -9.053 0.675 4.345 217 HD21 LEU 28 HD21 LEU 28 -9.749 3.334 1.065 218 HD22 LEU 28 HD22 LEU 28 -9.568 1.589 0.792 219 HD23 LEU 28 HD23 LEU 28 -8.165 2.562 1.259 220 H SER 29 H SER 29 -11.713 -0.160 0.385 221 HA SER 29 HA SER 29 -12.997 1.702 -1.557 222 HB2 SER 29 HB2 SER 29 -10.367 0.312 -2.125 223 HB3 SER 29 HB3 SER 29 -11.208 1.050 -3.191 224 HG SER 29 HG SER 29 -9.608 2.393 -2.239 225 H GLU 30 H GLU 30 -13.577 -1.072 -0.121 226 HA GLU 30 HA GLU 30 -13.652 -3.101 -2.109 227 HB2 GLU 30 HB2 GLU 30 -14.301 -2.907 0.611 228 HB3 GLU 30 HB3 GLU 30 -15.716 -3.079 0.051 229 HG2 GLU 30 HG2 GLU 30 -14.673 -5.207 -1.233 230 HG3 GLU 30 HG3 GLU 30 -13.439 -5.047 -0.354 231 HA PRO 31 HA PRO 31 -17.281 -1.930 -4.529 232 HB2 PRO 31 HB2 PRO 31 -18.000 -4.745 -4.998 233 HB3 PRO 31 HB3 PRO 31 -17.861 -3.655 -5.971 234 HG2 PRO 31 HG2 PRO 31 -15.601 -5.046 -5.903 235 HG3 PRO 31 HG3 PRO 31 -15.490 -3.543 -6.058 236 HD2 PRO 31 HD2 PRO 31 -14.893 -4.788 -3.413 237 HD3 PRO 31 HD3 PRO 31 -14.181 -3.683 -4.132 238 HA PRO 32 HA PRO 32 -20.716 -3.713 -1.537 239 HB2 PRO 32 HB2 PRO 32 -19.286 -4.533 0.908 240 HB3 PRO 32 HB3 PRO 32 -20.502 -5.100 0.341 241 HG2 PRO 32 HG2 PRO 32 -18.472 -6.599 -0.451 242 HG3 PRO 32 HG3 PRO 32 -19.512 -6.299 -1.496 243 HD2 PRO 32 HD2 PRO 32 -16.949 -4.718 -1.499 244 HD3 PRO 32 HD3 PRO 32 -17.610 -5.420 -2.621 245 H GLN 33 H GLN 33 -17.902 -1.783 -0.704 246 HA GLN 33 HA GLN 33 -19.553 0.136 0.886 247 HB2 GLN 33 HB2 GLN 33 -16.568 -0.078 0.644 248 HB3 GLN 33 HB3 GLN 33 -17.238 1.207 1.245 249 HG2 GLN 33 HG2 GLN 33 -17.022 0.064 3.245 250 HG3 GLN 33 HG3 GLN 33 -18.497 -0.157 2.979 251 HE21 GLN 33 HE21 GLN 33 -15.352 -1.809 2.510 252 HE22 GLN 33 HE22 GLN 33 -15.999 -3.445 2.552 253 H ALA 34 H ALA 34 -19.125 -0.428 -2.258 254 HA ALA 34 HA ALA 34 -19.015 0.695 -4.188 255 HB1 ALA 34 HB1 ALA 34 -21.257 1.194 -3.297 256 HB2 ALA 34 HB2 ALA 34 -20.645 2.716 -2.606 257 HB3 ALA 34 HB3 ALA 34 -20.667 2.477 -4.366 258 H LEU 35 H LEU 35 -16.637 1.162 -2.690 259 HA LEU 35 HA LEU 35 -14.810 2.448 -2.493 260 HB2 LEU 35 HB2 LEU 35 -15.499 2.526 -5.210 261 HB3 LEU 35 HB3 LEU 35 -15.327 4.010 -4.987 262 HG LEU 35 HG LEU 35 -13.164 1.981 -4.264 263 HD11 LEU 35 HD11 LEU 35 -11.994 2.855 -6.243 264 HD12 LEU 35 HD12 LEU 35 -13.357 3.948 -6.579 265 HD13 LEU 35 HD13 LEU 35 -13.573 2.186 -6.682 266 HD21 LEU 35 HD21 LEU 35 -11.610 3.896 -4.112 267 HD22 LEU 35 HD22 LEU 35 -12.856 3.975 -2.867 268 HD23 LEU 35 HD23 LEU 35 -12.975 5.018 -4.304 269 HN1 NH2 36 H1 NHE 36 -17.217 3.546 -1.152 270 HN2 NH2 36 H2 NHE 36 -16.868 5.252 -0.938 Start of MODEL 18 1 H1 ARG 1 H1 ARG 1 9.067 12.530 -3.621 2 H2 ARG 1 H2 ARG 1 8.478 11.104 -3.075 3 H3 ARG 1 H3 ARG 1 9.337 11.157 -4.465 4 HA ARG 1 HA ARG 1 10.423 11.778 -1.789 5 HB2 ARG 1 HB2 ARG 1 10.734 9.274 -3.419 6 HB3 ARG 1 HB3 ARG 1 11.897 9.663 -2.470 7 HG2 ARG 1 HG2 ARG 1 9.161 9.047 -1.393 8 HG3 ARG 1 HG3 ARG 1 10.381 8.098 -1.366 9 HD2 ARG 1 HD2 ARG 1 11.594 10.161 -0.033 10 HD3 ARG 1 HD3 ARG 1 10.182 10.709 0.164 11 HE ARG 1 HE ARG 1 9.897 8.011 0.945 12 HH11 ARG 1 HH11 ARG 1 11.626 10.848 2.094 13 HH12 ARG 1 HH12 ARG 1 11.905 10.134 3.658 14 HH21 ARG 1 HH21 ARG 1 10.490 7.114 2.818 15 HH22 ARG 1 HH22 ARG 1 11.212 8.081 4.098 16 H ASP 2 H ASP 2 12.022 13.218 -1.879 17 HA ASP 2 HA ASP 2 13.375 13.945 -4.309 18 HB2 ASP 2 HB2 ASP 2 13.029 15.446 -2.282 19 HB3 ASP 2 HB3 ASP 2 13.928 14.622 -1.407 20 HA PRO 3 HA PRO 3 17.227 11.608 -2.873 21 HB2 PRO 3 HB2 PRO 3 17.454 10.077 -0.712 22 HB3 PRO 3 HB3 PRO 3 17.454 11.588 -0.585 23 HG2 PRO 3 HG2 PRO 3 15.010 10.042 0.133 24 HG3 PRO 3 HG3 PRO 3 15.612 11.160 0.857 25 HD2 PRO 3 HD2 PRO 3 13.704 12.018 -0.866 26 HD3 PRO 3 HD3 PRO 3 14.902 12.911 -0.510 27 H LEU 4 H LEU 4 14.390 9.520 -2.307 28 HA LEU 4 HA LEU 4 13.857 7.406 -2.863 29 HB2 LEU 4 HB2 LEU 4 13.971 8.971 -5.185 30 HB3 LEU 4 HB3 LEU 4 14.757 7.796 -5.689 31 HG LEU 4 HG LEU 4 12.017 7.422 -4.383 32 HD11 LEU 4 HD11 LEU 4 12.787 7.466 -7.327 33 HD12 LEU 4 HD12 LEU 4 11.898 8.739 -6.460 34 HD13 LEU 4 HD13 LEU 4 11.166 7.141 -6.670 35 HD21 LEU 4 HD21 LEU 4 13.637 5.457 -6.052 36 HD22 LEU 4 HD22 LEU 4 11.973 5.210 -5.476 37 HD23 LEU 4 HD23 LEU 4 13.300 5.320 -4.316 38 H LEU 5 H LEU 5 16.492 7.467 -1.735 39 HA LEU 5 HA LEU 5 18.195 5.618 -3.216 40 HB2 LEU 5 HB2 LEU 5 18.512 6.529 -0.376 41 HB3 LEU 5 HB3 LEU 5 19.584 5.704 -1.133 42 HG LEU 5 HG LEU 5 18.729 8.471 -2.061 43 HD11 LEU 5 HD11 LEU 5 19.963 8.476 0.070 44 HD12 LEU 5 HD12 LEU 5 20.925 9.176 -1.243 45 HD13 LEU 5 HD13 LEU 5 21.266 7.524 -0.681 46 HD21 LEU 5 HD21 LEU 5 19.528 7.194 -3.987 47 HD22 LEU 5 HD22 LEU 5 20.955 6.648 -3.065 48 HD23 LEU 5 HD23 LEU 5 20.758 8.361 -3.501 49 H ASP 6 H ASP 6 15.705 5.164 -0.806 50 HA ASP 6 HA ASP 6 16.031 2.220 -1.091 51 HB2 ASP 6 HB2 ASP 6 17.108 3.285 1.128 52 HB3 ASP 6 HB3 ASP 6 15.705 3.538 1.630 53 H ALA 7 H ALA 7 13.912 4.780 -1.262 54 HA ALA 7 HA ALA 7 11.583 3.963 0.073 55 HB1 ALA 7 HB1 ALA 7 11.948 6.190 -0.881 56 HB2 ALA 7 HB2 ALA 7 11.824 5.518 -2.526 57 HB3 ALA 7 HB3 ALA 7 10.423 5.479 -1.440 58 H NLE 8 H NLE 8 12.777 2.907 -3.109 59 HA NLE 8 HA NLE 8 10.484 1.617 -4.048 60 HB2 NLE 8 HB2 NLE 8 11.791 0.584 -5.659 61 HB3 NLE 8 HB3 NLE 8 12.559 2.125 -5.361 62 HG2 NLE 8 HG2 NLE 8 13.487 -0.611 -4.357 63 HG3 NLE 8 HG3 NLE 8 14.159 0.275 -5.707 64 HD2 NLE 8 HD2 NLE 8 14.326 1.129 -2.789 65 HD3 NLE 8 HD3 NLE 8 15.601 0.382 -3.741 66 HE1 NLE 8 HE1 NLE 8 16.013 2.764 -3.643 67 HE2 NLE 8 HE2 NLE 8 15.571 2.340 -5.305 68 HE3 NLE 8 HE3 NLE 8 14.388 3.133 -4.240 69 H ARG 9 H ARG 9 12.485 0.550 -1.433 70 HA ARG 9 HA ARG 9 11.170 -2.155 -1.398 71 HB2 ARG 9 HB2 ARG 9 13.256 -1.240 0.548 72 HB3 ARG 9 HB3 ARG 9 12.670 -2.673 0.446 73 HG2 ARG 9 HG2 ARG 9 13.686 -2.670 -2.033 74 HG3 ARG 9 HG3 ARG 9 14.407 -1.378 -1.691 75 HD2 ARG 9 HD2 ARG 9 15.022 -3.951 -0.239 76 HD3 ARG 9 HD3 ARG 9 15.954 -3.182 -1.186 77 HE ARG 9 HE ARG 9 15.918 -1.213 0.472 78 HH11 ARG 9 HH11 ARG 9 15.533 -4.503 1.651 79 HH12 ARG 9 HH12 ARG 9 15.864 -4.017 3.292 80 HH21 ARG 9 HH21 ARG 9 16.159 -0.663 2.507 81 HH22 ARG 9 HH22 ARG 9 16.270 -1.881 3.767 82 H ARG 10 H ARG 10 11.904 0.414 0.960 83 HA ARG 10 HA ARG 10 10.059 -0.579 2.883 84 HB2 ARG 10 HB2 ARG 10 11.055 1.096 4.249 85 HB3 ARG 10 HB3 ARG 10 12.185 0.618 3.331 86 HG2 ARG 10 HG2 ARG 10 11.328 2.728 1.781 87 HG3 ARG 10 HG3 ARG 10 10.674 3.230 3.057 88 HD2 ARG 10 HD2 ARG 10 13.662 2.819 2.866 89 HD3 ARG 10 HD3 ARG 10 12.927 4.180 2.862 90 HE ARG 10 HE ARG 10 12.128 3.765 5.191 91 HH11 ARG 10 HH11 ARG 10 14.934 1.842 4.136 92 HH12 ARG 10 HH12 ARG 10 15.476 1.682 5.783 93 HH21 ARG 10 HH21 ARG 10 12.920 3.451 7.215 94 HH22 ARG 10 HH22 ARG 10 14.379 2.538 7.457 95 H GLU 11 H GLU 11 9.432 1.653 0.341 96 HA GLU 11 HA GLU 11 6.675 2.180 1.428 97 HB2 GLU 11 HB2 GLU 11 8.261 3.990 -0.379 98 HB3 GLU 11 HB3 GLU 11 6.774 4.213 -0.094 99 HG2 GLU 11 HG2 GLU 11 7.124 4.735 2.251 100 HG3 GLU 11 HG3 GLU 11 8.374 3.892 2.427 101 H GLY 12 H GLY 12 8.620 1.336 -1.463 102 HA2 GLY 12 HA2 GLY 12 6.541 0.974 -3.332 103 HA3 GLY 12 HA3 GLY 12 8.067 0.085 -3.310 104 H ALA 13 H ALA 13 7.773 -1.420 -0.893 105 HA ALA 13 HA ALA 13 5.939 -3.502 -1.691 106 HB1 ALA 13 HB1 ALA 13 8.042 -3.930 -0.469 107 HB2 ALA 13 HB2 ALA 13 7.392 -3.075 0.951 108 HB3 ALA 13 HB3 ALA 13 6.635 -4.581 0.392 109 H NLE 14 H NLE 14 5.744 -0.930 0.769 110 HA NLE 14 HA NLE 14 3.299 -1.721 1.990 111 HB2 NLE 14 HB2 NLE 14 4.989 -0.029 2.802 112 HB3 NLE 14 HB3 NLE 14 4.335 1.121 1.628 113 HG2 NLE 14 HG2 NLE 14 2.076 0.852 2.713 114 HG3 NLE 14 HG3 NLE 14 2.820 -0.195 3.928 115 HD2 NLE 14 HD2 NLE 14 3.500 2.739 3.409 116 HD3 NLE 14 HD3 NLE 14 2.505 2.120 4.729 117 HE1 NLE 14 HE1 NLE 14 5.489 1.632 4.339 118 HE2 NLE 14 HE2 NLE 14 4.711 2.611 5.590 119 HE3 NLE 14 HE3 NLE 14 4.495 0.849 5.594 120 H ASP 15 H ASP 15 3.949 0.325 -0.865 121 HA ASP 15 HA ASP 15 1.283 1.085 -1.459 122 HB2 ASP 15 HB2 ASP 15 3.551 1.940 -2.456 123 HB3 ASP 15 HB3 ASP 15 3.627 0.725 -3.354 124 H PHE 16 H PHE 16 2.750 -2.069 -1.936 125 HA PHE 16 HA PHE 16 0.348 -2.848 -3.524 126 HB2 PHE 16 HB2 PHE 16 1.563 -4.515 -4.601 127 HB3 PHE 16 HB3 PHE 16 2.290 -3.154 -4.840 128 HD1 PHE 16 HD1 PHE 16 2.526 -6.006 -2.333 129 HD2 PHE 16 HD2 PHE 16 4.607 -3.235 -4.907 130 HE1 PHE 16 HE1 PHE 16 4.672 -7.119 -1.803 131 HE2 PHE 16 HE2 PHE 16 6.744 -4.390 -4.414 132 HZ PHE 16 HZ PHE 16 6.784 -6.329 -2.854 133 H TRP 17 H TRP 17 1.849 -3.351 -0.428 134 HA TRP 17 HA TRP 17 0.073 -5.555 0.307 135 HB2 TRP 17 HB2 TRP 17 2.017 -4.785 1.756 136 HB3 TRP 17 HB3 TRP 17 1.425 -3.378 1.936 137 HD1 TRP 17 HD1 TRP 17 0.071 -2.941 4.040 138 HE1 TRP 17 HE1 TRP 17 -1.209 -4.330 5.780 139 HE3 TRP 17 HE3 TRP 17 0.466 -7.560 1.846 140 HZ2 TRP 17 HZ2 TRP 17 -1.962 -7.085 6.174 141 HZ3 TRP 17 HZ3 TRP 17 -0.548 -9.553 2.933 142 HH2 TRP 17 HH2 TRP 17 -1.738 -9.335 5.099 143 H SER 18 H SER 18 -0.143 -1.980 0.699 144 HA SER 18 HA SER 18 -2.807 -1.956 1.705 145 HB2 SER 18 HB2 SER 18 -2.599 0.498 1.358 146 HB3 SER 18 HB3 SER 18 -1.337 -0.074 2.036 147 HG SER 18 HG SER 18 -0.166 0.071 0.197 148 H ALA 19 H ALA 19 -1.759 -2.342 -1.597 149 HA ALA 19 HA ALA 19 -4.161 -1.597 -2.948 150 HB1 ALA 19 HB1 ALA 19 -1.976 -1.986 -4.049 151 HB2 ALA 19 HB2 ALA 19 -2.099 -3.724 -3.671 152 HB3 ALA 19 HB3 ALA 19 -3.262 -2.967 -4.772 153 H GLY 20 H GLY 20 -3.571 -4.309 -0.856 154 HA2 GLY 20 HA2 GLY 20 -6.274 -5.439 -1.527 155 HA3 GLY 20 HA3 GLY 20 -4.871 -6.473 -1.265 156 H ABA 21 H ABU 21 -3.953 -4.600 0.936 157 HA ABA 21 HA ABU 21 -3.866 -4.679 3.175 158 HB3 ABA 21 HB3 ABU 21 -6.662 -3.552 2.880 159 HB2 ABA 21 HB2 ABU 21 -5.180 -2.678 2.483 160 HG1 ABA 21 HG1 ABU 21 -5.943 -2.067 4.722 161 HG3 ABA 21 HG3 ABU 21 -4.390 -2.923 4.822 162 HG2 ABA 21 HG2 ABU 21 -5.905 -3.763 5.240 163 H TYR 22 H TYR 22 -3.639 -6.760 3.797 164 HA TYR 22 HA TYR 22 -4.016 -8.732 4.796 165 HB2 TYR 22 HB2 TYR 22 -6.886 -8.222 5.346 166 HB3 TYR 22 HB3 TYR 22 -5.987 -9.326 6.008 167 HD1 TYR 22 HD1 TYR 22 -3.882 -8.624 7.403 168 HD2 TYR 22 HD2 TYR 22 -7.182 -6.017 6.432 169 HE1 TYR 22 HE1 TYR 22 -3.340 -7.193 9.374 170 HE2 TYR 22 HE2 TYR 22 -6.645 -4.599 8.405 171 HH TYR 22 HH TYR 22 -5.279 -4.299 10.219 172 H ALA 23 H ALA 23 -4.522 -8.147 1.883 173 HA ALA 23 HA ALA 23 -5.412 -9.007 -0.019 174 HB1 ALA 23 HB1 ALA 23 -5.082 -11.402 -0.345 175 HB2 ALA 23 HB2 ALA 23 -3.721 -10.700 0.553 176 HB3 ALA 23 HB3 ALA 23 -4.955 -11.652 1.408 177 H ARG 24 H ARG 24 -7.302 -7.956 1.473 178 HA ARG 24 HA ARG 24 -9.700 -9.749 1.569 179 HB2 ARG 24 HB2 ARG 24 -8.667 -9.108 3.719 180 HB3 ARG 24 HB3 ARG 24 -8.616 -7.562 3.371 181 HG2 ARG 24 HG2 ARG 24 -10.430 -7.850 4.917 182 HG3 ARG 24 HG3 ARG 24 -10.943 -7.221 3.632 183 HD2 ARG 24 HD2 ARG 24 -11.702 -9.707 2.937 184 HD3 ARG 24 HD3 ARG 24 -11.232 -10.178 4.320 185 HE ARG 24 HE ARG 24 -13.114 -9.280 5.335 186 HH11 ARG 24 HH11 ARG 24 -12.717 -7.595 2.274 187 HH12 ARG 24 HH12 ARG 24 -14.258 -6.782 2.415 188 HH21 ARG 24 HH21 ARG 24 -15.059 -8.146 5.461 189 HH22 ARG 24 HH22 ARG 24 -15.497 -7.062 4.164 190 H GLY 25 H GLY 25 -8.557 -7.536 -0.419 191 HA2 GLY 25 HA2 GLY 25 -9.655 -6.384 -2.116 192 HA3 GLY 25 HA3 GLY 25 -11.202 -6.634 -1.304 193 H VAL 26 H VAL 26 -8.552 -5.222 0.486 194 HA VAL 26 HA VAL 26 -8.534 -3.358 1.768 195 HB VAL 26 HB VAL 26 -7.092 -2.846 0.045 196 HG11 VAL 26 HG11 VAL 26 -9.333 -1.539 -1.524 197 HG12 VAL 26 HG12 VAL 26 -7.600 -1.426 -1.886 198 HG13 VAL 26 HG13 VAL 26 -8.414 -2.989 -1.977 199 HG21 VAL 26 HG21 VAL 26 -8.634 -0.314 0.666 200 HG22 VAL 26 HG22 VAL 26 -7.523 -1.136 1.790 201 HG23 VAL 26 HG23 VAL 26 -6.919 -0.469 0.269 202 HA PRO 27 HA PRO 27 -13.019 -3.397 2.165 203 HB2 PRO 27 HB2 PRO 27 -12.543 -2.305 4.888 204 HB3 PRO 27 HB3 PRO 27 -13.536 -3.293 4.473 205 HG2 PRO 27 HG2 PRO 27 -11.354 -4.599 5.199 206 HG3 PRO 27 HG3 PRO 27 -12.065 -5.107 3.966 207 HD2 PRO 27 HD2 PRO 27 -9.531 -3.593 3.666 208 HD3 PRO 27 HD3 PRO 27 -10.056 -4.748 2.865 209 H LEU 28 H LEU 28 -11.363 -0.329 3.084 210 HA LEU 28 HA LEU 28 -13.680 1.303 2.843 211 HB2 LEU 28 HB2 LEU 28 -12.167 3.121 3.054 212 HB3 LEU 28 HB3 LEU 28 -11.911 2.048 4.185 213 HG LEU 28 HG LEU 28 -9.885 3.133 3.375 214 HD11 LEU 28 HD11 LEU 28 -8.416 1.273 3.367 215 HD12 LEU 28 HD12 LEU 28 -9.667 0.166 2.798 216 HD13 LEU 28 HD13 LEU 28 -9.768 0.874 4.434 217 HD21 LEU 28 HD21 LEU 28 -10.438 3.280 0.959 218 HD22 LEU 28 HD22 LEU 28 -10.130 1.535 0.816 219 HD23 LEU 28 HD23 LEU 28 -8.821 2.629 1.288 220 H SER 29 H SER 29 -12.055 -0.180 0.294 221 HA SER 29 HA SER 29 -13.428 1.585 -1.691 222 HB2 SER 29 HB2 SER 29 -10.771 0.249 -2.224 223 HB3 SER 29 HB3 SER 29 -11.619 0.990 -3.287 224 HG SER 29 HG SER 29 -10.049 2.344 -2.307 225 H GLU 30 H GLU 30 -13.879 -1.271 -0.261 226 HA GLU 30 HA GLU 30 -14.049 -3.124 -2.479 227 HB2 GLU 30 HB2 GLU 30 -14.120 -3.361 0.288 228 HB3 GLU 30 HB3 GLU 30 -15.632 -3.458 0.031 229 HG2 GLU 30 HG2 GLU 30 -14.918 -5.353 -1.760 230 HG3 GLU 30 HG3 GLU 30 -13.538 -5.327 -1.119 231 HA PRO 31 HA PRO 31 -18.080 -1.888 -4.094 232 HB2 PRO 31 HB2 PRO 31 -18.737 -4.677 -4.792 233 HB3 PRO 31 HB3 PRO 31 -18.843 -3.475 -5.621 234 HG2 PRO 31 HG2 PRO 31 -16.526 -4.658 -6.139 235 HG3 PRO 31 HG3 PRO 31 -16.532 -3.147 -6.091 236 HD2 PRO 31 HD2 PRO 31 -15.408 -4.685 -3.794 237 HD3 PRO 31 HD3 PRO 31 -14.896 -3.437 -4.451 238 HA PRO 32 HA PRO 32 -20.952 -4.261 -0.925 239 HB2 PRO 32 HB2 PRO 32 -19.168 -5.211 1.220 240 HB3 PRO 32 HB3 PRO 32 -20.395 -5.822 0.730 241 HG2 PRO 32 HG2 PRO 32 -18.358 -7.028 -0.455 242 HG3 PRO 32 HG3 PRO 32 -19.542 -6.725 -1.331 243 HD2 PRO 32 HD2 PRO 32 -17.142 -4.912 -1.449 244 HD3 PRO 32 HD3 PRO 32 -17.872 -5.549 -2.560 245 H GLN 33 H GLN 33 -18.195 -2.203 -0.222 246 HA GLN 33 HA GLN 33 -19.787 -0.583 1.728 247 HB2 GLN 33 HB2 GLN 33 -16.828 -0.544 1.227 248 HB3 GLN 33 HB3 GLN 33 -17.538 0.568 2.076 249 HG2 GLN 33 HG2 GLN 33 -17.024 -0.854 3.833 250 HG3 GLN 33 HG3 GLN 33 -18.506 -1.127 3.678 251 HE21 GLN 33 HE21 GLN 33 -15.449 -2.438 2.300 252 HE22 GLN 33 HE22 GLN 33 -15.955 -4.126 2.311 253 H ALA 34 H ALA 34 -19.710 -0.786 -1.447 254 HA ALA 34 HA ALA 34 -19.840 0.522 -3.255 255 HB1 ALA 34 HB1 ALA 34 -21.962 0.887 -2.064 256 HB2 ALA 34 HB2 ALA 34 -21.284 2.342 -1.297 257 HB3 ALA 34 HB3 ALA 34 -21.514 2.282 -3.059 258 H LEU 35 H LEU 35 -17.299 0.874 -2.033 259 HA LEU 35 HA LEU 35 -15.463 2.158 -1.956 260 HB2 LEU 35 HB2 LEU 35 -16.507 2.491 -4.527 261 HB3 LEU 35 HB3 LEU 35 -16.346 3.956 -4.182 262 HG LEU 35 HG LEU 35 -14.051 1.954 -3.973 263 HD11 LEU 35 HD11 LEU 35 -13.203 3.040 -6.005 264 HD12 LEU 35 HD12 LEU 35 -14.623 4.110 -6.042 265 HD13 LEU 35 HD13 LEU 35 -14.813 2.358 -6.277 266 HD21 LEU 35 HD21 LEU 35 -12.539 3.897 -3.857 267 HD22 LEU 35 HD22 LEU 35 -13.602 3.835 -2.452 268 HD23 LEU 35 HD23 LEU 35 -13.938 4.988 -3.763 269 HN1 NH2 36 H1 NHE 36 -17.641 3.052 -0.176 270 HN2 NH2 36 H2 NHE 36 -17.282 4.734 0.169
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