NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23745 | 2jy0 | 15579 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HT MET 1 -20.825 -9.684 2.017 2 H2 MET 1 2HT MET 1 -20.275 -11.237 1.606 3 H3 MET 1 3HT MET 1 -21.720 -10.638 0.940 4 HA MET 1 HA MET 1 -18.952 -9.687 0.385 5 HB2 MET 1 2HB MET 1 -20.085 -11.833 -0.619 6 HB3 MET 1 1HB MET 1 -21.037 -10.685 -1.557 7 HG2 MET 1 2HG MET 1 -18.266 -9.903 -1.641 8 HG3 MET 1 1HG MET 1 -18.408 -11.600 -2.100 9 HE1 MET 1 2HE MET 1 -17.567 -8.874 -3.778 10 HE2 MET 1 3HE MET 1 -18.863 -7.977 -2.993 11 HE3 MET 1 1HE MET 1 -18.859 -8.183 -4.754 12 H ASP 2 H ASP 2 -19.623 -7.551 1.205 13 HA ASP 2 HA ASP 2 -20.862 -5.886 -0.882 14 HB2 ASP 2 2HB ASP 2 -22.608 -5.044 0.717 15 HB3 ASP 2 1HB ASP 2 -22.822 -6.738 0.284 16 H ARG 3 H ARG 3 -20.961 -3.517 0.020 17 HA ARG 3 HA ARG 3 -19.830 -1.651 0.851 18 HB2 ARG 3 2HB ARG 3 -20.222 -3.502 2.927 19 HB3 ARG 3 1HB ARG 3 -18.555 -2.965 3.112 20 HG2 ARG 3 2HG ARG 3 -19.333 -0.602 2.996 21 HG3 ARG 3 1HG ARG 3 -20.998 -1.182 2.912 22 HD2 ARG 3 2HD ARG 3 -20.588 -2.403 5.098 23 HD3 ARG 3 1HD ARG 3 -19.051 -1.526 5.216 24 HE ARG 3 HE ARG 3 -21.693 -0.366 5.604 25 HH11 ARG 3 1HH2 ARG 3 -18.699 0.322 6.505 26 HH12 ARG 3 2HH2 ARG 3 -18.629 1.962 5.955 27 HH21 ARG 3 1HH1 ARG 3 -21.521 1.704 4.024 28 HH22 ARG 3 2HH1 ARG 3 -20.246 2.753 4.542 29 H GLU 4 H GLU 4 -18.446 -2.102 -1.149 30 HA GLU 4 HA GLU 4 -15.803 -3.281 -0.864 31 HB2 GLU 4 2HB GLU 4 -17.457 -2.662 -2.920 32 HB3 GLU 4 1HB GLU 4 -16.374 -1.272 -2.985 33 HG2 GLU 4 2HG GLU 4 -15.308 -4.092 -2.811 34 HG3 GLU 4 1HG GLU 4 -15.710 -3.351 -4.359 35 H MET 5 H MET 5 -17.026 0.087 -0.924 36 HA MET 5 HA MET 5 -14.507 1.429 -0.693 37 HB2 MET 5 2HB MET 5 -16.924 2.273 -1.208 38 HB3 MET 5 1HB MET 5 -17.081 2.401 0.544 39 HG2 MET 5 2HG MET 5 -16.320 4.538 -0.101 40 HG3 MET 5 1HG MET 5 -14.856 3.723 0.448 41 HE1 MET 5 3HE MET 5 -13.287 4.920 -0.418 42 HE2 MET 5 1HE MET 5 -12.765 5.080 -2.104 43 HE3 MET 5 2HE MET 5 -12.623 3.533 -1.277 44 H ALA 6 H ALA 6 -16.609 -0.090 1.718 45 HA ALA 6 HA ALA 6 -15.471 1.029 4.100 46 HB1 ALA 6 1HB ALA 6 -16.871 -1.583 3.468 47 HB2 ALA 6 2HB ALA 6 -17.592 -0.112 4.121 48 HB3 ALA 6 3HB ALA 6 -16.487 -1.066 5.110 49 H ALA 7 H ALA 7 -14.481 -1.712 2.049 50 HA ALA 7 HA ALA 7 -12.487 -2.729 3.927 51 HB1 ALA 7 1HB ALA 7 -11.937 -4.209 2.079 52 HB2 ALA 7 2HB ALA 7 -12.784 -3.162 0.940 53 HB3 ALA 7 3HB ALA 7 -13.691 -4.051 2.165 54 H SER 8 H SER 8 -12.512 -0.309 1.359 55 HA SER 8 HA SER 8 -9.688 -0.179 0.836 56 HB2 SER 8 2HB SER 8 -11.482 0.757 -0.592 57 HB3 SER 8 1HB SER 8 -11.859 1.933 0.660 58 HG SER 8 HG SER 8 -10.154 3.055 0.085 59 H ALA 9 H ALA 9 -8.323 1.738 1.428 60 HA ALA 9 HA ALA 9 -7.177 3.020 3.014 61 HB1 ALA 9 1HB ALA 9 -9.798 3.573 4.356 62 HB2 ALA 9 2HB ALA 9 -9.563 4.097 2.689 63 HB3 ALA 9 3HB ALA 9 -8.488 4.684 3.957 64 H GLY 10 H GLY 10 -7.729 0.117 3.671 65 HA2 GLY 10 2HA GLY 10 -6.767 0.170 6.409 66 HA3 GLY 10 1HA GLY 10 -8.428 -0.414 6.308 67 H GLY 11 H GLY 11 -5.451 -0.914 4.371 68 HA2 GLY 11 2HA GLY 11 -4.841 -3.538 5.000 69 HA3 GLY 11 1HA GLY 11 -6.145 -3.692 3.822 70 H ALA 12 H ALA 12 -5.770 -2.022 1.878 71 HA ALA 12 HA ALA 12 -3.476 -2.909 0.408 72 HB1 ALA 12 1HB ALA 12 -5.625 -2.037 -0.529 73 HB2 ALA 12 2HB ALA 12 -4.213 -1.234 -1.218 74 HB3 ALA 12 3HB ALA 12 -5.172 -0.422 0.020 75 H VAL 13 H VAL 13 -4.094 0.120 2.206 76 HA VAL 13 HA VAL 13 -1.682 1.508 1.556 77 HB VAL 13 HB VAL 13 -3.322 1.549 4.122 78 HG11 VAL 13 1HG1 VAL 13 -1.469 3.603 2.870 79 HG12 VAL 13 2HG1 VAL 13 -1.195 2.725 4.376 80 HG13 VAL 13 3HG1 VAL 13 -2.504 3.901 4.268 81 HG21 VAL 13 3HG2 VAL 13 -3.759 2.681 1.389 82 HG22 VAL 13 1HG2 VAL 13 -4.176 3.706 2.762 83 HG23 VAL 13 2HG2 VAL 13 -4.940 2.128 2.577 84 H PHE 14 H PHE 14 -2.430 -0.852 4.124 85 HA PHE 14 HA PHE 14 0.090 -0.734 5.507 86 HB2 PHE 14 2HB PHE 14 -2.219 -1.744 6.161 87 HB3 PHE 14 1HB PHE 14 -1.684 -3.169 5.273 88 HD1 PHE 14 1HD PHE 14 -0.970 -0.968 8.168 89 HD2 PHE 14 2HD PHE 14 0.058 -4.605 6.123 90 HE1 PHE 14 1HE PHE 14 0.364 -1.694 10.129 91 HE2 PHE 14 2HE PHE 14 1.391 -5.329 8.086 92 HZ PHE 14 HZ PHE 14 1.545 -3.874 10.088 93 H VAL 15 H VAL 15 -1.091 -2.738 2.782 94 HA VAL 15 HA VAL 15 1.136 -4.524 2.580 95 HB VAL 15 HB VAL 15 -0.736 -3.390 0.465 96 HG11 VAL 15 1HG1 VAL 15 1.263 -4.433 -0.544 97 HG12 VAL 15 2HG1 VAL 15 -0.176 -5.409 -0.833 98 HG13 VAL 15 3HG1 VAL 15 0.982 -5.892 0.406 99 HG21 VAL 15 3HG2 VAL 15 -1.192 -5.139 2.671 100 HG22 VAL 15 1HG2 VAL 15 -1.248 -6.122 1.208 101 HG23 VAL 15 2HG2 VAL 15 -2.310 -4.724 1.374 102 H GLY 16 H GLY 16 0.542 -1.328 1.066 103 HA2 GLY 16 2HA GLY 16 2.993 -1.211 -0.424 104 HA3 GLY 16 1HA GLY 16 2.008 0.183 0.027 105 H LEU 17 H LEU 17 2.103 -0.236 2.871 106 HA LEU 17 HA LEU 17 4.507 1.157 3.587 107 HB2 LEU 17 2HB LEU 17 2.211 1.039 4.733 108 HB3 LEU 17 1HB LEU 17 2.740 -0.503 5.402 109 HG LEU 17 HG LEU 17 4.842 0.822 6.192 110 HD11 LEU 17 1HD1 LEU 17 4.218 3.229 6.702 111 HD12 LEU 17 2HD1 LEU 17 2.852 3.032 5.603 112 HD13 LEU 17 3HD1 LEU 17 4.501 2.883 4.996 113 HD21 LEU 17 3HD2 LEU 17 3.380 -0.023 7.851 114 HD22 LEU 17 1HD2 LEU 17 2.054 1.020 7.340 115 HD23 LEU 17 2HD2 LEU 17 3.440 1.706 8.188 116 H VAL 18 H VAL 18 3.558 -2.282 3.915 117 HA VAL 18 HA VAL 18 5.885 -3.234 5.279 118 HB VAL 18 HB VAL 18 3.854 -4.462 3.391 119 HG11 VAL 18 1HG1 VAL 18 6.233 -5.745 4.720 120 HG12 VAL 18 2HG1 VAL 18 5.624 -5.971 3.080 121 HG13 VAL 18 3HG1 VAL 18 4.758 -6.673 4.446 122 HG21 VAL 18 3HG2 VAL 18 4.317 -4.841 6.365 123 HG22 VAL 18 1HG2 VAL 18 2.941 -5.417 5.424 124 HG23 VAL 18 2HG2 VAL 18 3.167 -3.688 5.687 125 H LEU 19 H LEU 19 5.173 -2.859 1.800 126 HA LEU 19 HA LEU 19 7.627 -4.005 0.812 127 HB2 LEU 19 2HB LEU 19 5.350 -3.449 -0.338 128 HB3 LEU 19 1HB LEU 19 6.040 -1.844 -0.571 129 HG LEU 19 HG LEU 19 7.770 -4.151 -1.315 130 HD11 LEU 19 1HD1 LEU 19 5.465 -3.251 -3.066 131 HD12 LEU 19 2HD1 LEU 19 5.503 -4.774 -2.177 132 HD13 LEU 19 3HD1 LEU 19 6.676 -4.472 -3.458 133 HD21 LEU 19 3HD2 LEU 19 8.579 -2.628 -2.949 134 HD22 LEU 19 1HD2 LEU 19 8.266 -1.622 -1.534 135 HD23 LEU 19 2HD2 LEU 19 7.119 -1.643 -2.874 136 H LEU 20 H LEU 20 6.665 -0.633 1.577 137 HA LEU 20 HA LEU 20 9.051 0.661 0.670 138 HB2 LEU 20 2HB LEU 20 6.685 1.513 1.508 139 HB3 LEU 20 1HB LEU 20 7.514 1.623 3.061 140 HG LEU 20 HG LEU 20 9.364 2.886 1.754 141 HD11 LEU 20 1HD1 LEU 20 8.712 3.957 -0.289 142 HD12 LEU 20 2HD1 LEU 20 7.045 3.406 -0.124 143 HD13 LEU 20 3HD1 LEU 20 8.325 2.248 -0.485 144 HD21 LEU 20 3HD2 LEU 20 7.765 5.001 1.755 145 HD22 LEU 20 1HD2 LEU 20 8.203 4.215 3.271 146 HD23 LEU 20 2HD2 LEU 20 6.640 3.884 2.526 147 H THR 21 H THR 21 8.261 -0.909 3.770 148 HA THR 21 HA THR 21 10.585 -0.023 5.233 149 HB THR 21 HB THR 21 8.786 -2.466 5.462 150 HG1 THR 21 1HG THR 21 7.555 -0.788 5.955 151 HG21 THR 21 3HG2 THR 21 10.934 -2.847 6.620 152 HG22 THR 21 1HG2 THR 21 9.612 -2.652 7.771 153 HG23 THR 21 2HG2 THR 21 10.735 -1.323 7.485 154 H LEU 22 H LEU 22 9.935 -2.785 3.087 155 HA LEU 22 HA LEU 22 12.550 -4.039 3.507 156 HB2 LEU 22 2HB LEU 22 10.043 -4.510 1.990 157 HB3 LEU 22 1HB LEU 22 11.504 -5.163 1.253 158 HG LEU 22 HG LEU 22 11.990 -6.052 3.688 159 HD11 LEU 22 1HD1 LEU 22 8.965 -6.011 3.723 160 HD12 LEU 22 2HD1 LEU 22 9.931 -4.794 4.554 161 HD13 LEU 22 3HD1 LEU 22 10.061 -6.489 5.018 162 HD21 LEU 22 3HD2 LEU 22 11.589 -7.446 1.672 163 HD22 LEU 22 1HD2 LEU 22 9.850 -7.279 1.913 164 HD23 LEU 22 2HD2 LEU 22 10.827 -8.143 3.101 165 H SER 23 H SER 23 10.986 -2.278 0.778 166 HA SER 23 HA SER 23 13.601 -1.179 -0.048 167 HB2 SER 23 2HB SER 23 12.996 -3.634 -0.976 168 HB3 SER 23 1HB SER 23 12.132 -2.675 -2.170 169 HG SER 23 HG SER 23 13.995 -2.158 -2.997 170 HA PRO 24 HA PRO 24 10.335 1.777 -1.092 171 HB2 PRO 24 2HB PRO 24 11.915 3.994 -1.039 172 HB3 PRO 24 1HB PRO 24 11.259 3.223 0.417 173 HG2 PRO 24 2HG PRO 24 13.995 3.185 -0.656 174 HG3 PRO 24 1HG PRO 24 13.427 3.014 1.009 175 HD2 PRO 24 2HD PRO 24 14.274 0.949 -0.692 176 HD3 PRO 24 1HD PRO 24 13.455 0.772 0.872 177 H HIS 25 H HIS 25 12.127 0.326 -3.217 178 HA HIS 25 HA HIS 25 12.580 0.495 -5.500 179 HB2 HIS 25 2HB HIS 25 10.354 2.516 -5.111 180 HB3 HIS 25 1HB HIS 25 10.945 2.034 -6.698 181 HD1 HIS 25 1HD HIS 25 10.236 -0.257 -7.583 182 HD2 HIS 25 2HD HIS 25 9.058 0.380 -3.635 183 HE1 HIS 25 1HE HIS 25 8.677 -2.159 -6.987 184 H TYR 26 H TYR 26 14.719 1.440 -4.672 185 HA TYR 26 HA TYR 26 15.242 4.276 -4.766 186 HB2 TYR 26 2HB TYR 26 16.968 1.800 -5.013 187 HB3 TYR 26 1HB TYR 26 17.643 3.425 -4.981 188 HD1 TYR 26 1HD TYR 26 16.675 4.964 -2.996 189 HD2 TYR 26 2HD TYR 26 16.776 0.669 -2.990 190 HE1 TYR 26 1HE TYR 26 16.547 4.964 -0.521 191 HE2 TYR 26 2HE TYR 26 16.648 0.670 -0.516 192 HH TYR 26 HH TYR 26 17.410 2.818 1.361 193 H LYS 27 H LYS 27 16.414 5.448 -6.442 194 HA LYS 27 HA LYS 27 16.420 4.217 -9.167 195 HB2 LYS 27 2HB LYS 27 14.832 6.509 -8.113 196 HB3 LYS 27 1HB LYS 27 15.515 6.696 -9.728 197 HG2 LYS 27 2HG LYS 27 14.492 4.530 -10.390 198 HG3 LYS 27 1HG LYS 27 13.751 4.412 -8.794 199 HD2 LYS 27 2HD LYS 27 12.188 6.018 -9.243 200 HD3 LYS 27 1HD LYS 27 13.287 6.961 -10.247 201 HE2 LYS 27 2HE LYS 27 12.591 4.324 -11.391 202 HE3 LYS 27 1HE LYS 27 11.224 5.444 -11.246 203 HZ1 LYS 27 3HZ LYS 27 12.491 7.148 -12.351 204 HZ2 LYS 27 1HZ LYS 27 12.476 5.762 -13.326 205 HZ3 LYS 27 2HZ LYS 27 13.864 6.146 -12.424 Start of MODEL 2 1 H1 MET 1 1HT MET 1 -23.998 0.916 -1.970 2 H2 MET 1 2HT MET 1 -22.860 1.476 -0.840 3 H3 MET 1 3HT MET 1 -24.503 1.376 -0.418 4 HA MET 1 HA MET 1 -23.272 -0.465 0.571 5 HB2 MET 1 2HB MET 1 -25.410 -0.721 -1.490 6 HB3 MET 1 1HB MET 1 -24.669 -2.228 -0.955 7 HG2 MET 1 2HG MET 1 -25.202 -1.741 1.360 8 HG3 MET 1 1HG MET 1 -25.780 -0.133 0.932 9 HE1 MET 1 2HE MET 1 -26.789 -3.675 1.704 10 HE2 MET 1 3HE MET 1 -26.078 -3.865 0.105 11 HE3 MET 1 1HE MET 1 -27.804 -4.179 0.357 12 H ASP 2 H ASP 2 -21.002 -0.307 -0.125 13 HA ASP 2 HA ASP 2 -20.282 -1.700 -2.655 14 HB2 ASP 2 2HB ASP 2 -18.803 -0.009 -0.627 15 HB3 ASP 2 1HB ASP 2 -17.983 -0.826 -1.959 16 H ARG 3 H ARG 3 -19.442 -3.728 -2.661 17 HA ARG 3 HA ARG 3 -18.074 -4.918 -0.352 18 HB2 ARG 3 2HB ARG 3 -20.637 -5.027 0.018 19 HB3 ARG 3 1HB ARG 3 -20.652 -6.196 -1.302 20 HG2 ARG 3 2HG ARG 3 -19.786 -7.837 -0.008 21 HG3 ARG 3 1HG ARG 3 -18.572 -6.764 0.682 22 HD2 ARG 3 2HD ARG 3 -19.826 -7.106 2.588 23 HD3 ARG 3 1HD ARG 3 -20.776 -5.770 1.910 24 HE ARG 3 HE ARG 3 -21.534 -8.468 0.972 25 HH11 ARG 3 1HH1 ARG 3 -21.921 -7.789 4.021 26 HH12 ARG 3 2HH1 ARG 3 -23.601 -7.374 4.012 27 HH21 ARG 3 1HH2 ARG 3 -23.782 -7.087 0.545 28 HH22 ARG 3 2HH2 ARG 3 -24.660 -6.971 2.030 29 H GLU 4 H GLU 4 -17.004 -4.460 -2.753 30 HA GLU 4 HA GLU 4 -17.025 -7.079 -4.208 31 HB2 GLU 4 2HB GLU 4 -16.549 -5.778 -6.224 32 HB3 GLU 4 1HB GLU 4 -17.999 -5.168 -5.439 33 HG2 GLU 4 2HG GLU 4 -15.356 -3.903 -4.772 34 HG3 GLU 4 1HG GLU 4 -16.130 -3.501 -6.300 35 H MET 5 H MET 5 -15.059 -4.845 -2.423 36 HA MET 5 HA MET 5 -12.609 -6.387 -3.187 37 HB2 MET 5 2HB MET 5 -13.085 -3.412 -2.955 38 HB3 MET 5 1HB MET 5 -11.464 -4.094 -2.831 39 HG2 MET 5 2HG MET 5 -11.683 -5.109 -5.044 40 HG3 MET 5 1HG MET 5 -13.343 -4.529 -5.171 41 HE1 MET 5 3HE MET 5 -13.124 -0.770 -5.483 42 HE2 MET 5 1HE MET 5 -13.605 -1.851 -4.166 43 HE3 MET 5 2HE MET 5 -14.067 -2.215 -5.826 44 H ALA 6 H ALA 6 -13.759 -3.937 -0.808 45 HA ALA 6 HA ALA 6 -13.481 -3.768 1.514 46 HB1 ALA 6 1HB ALA 6 -13.286 -6.785 1.425 47 HB2 ALA 6 2HB ALA 6 -14.804 -5.932 1.145 48 HB3 ALA 6 3HB ALA 6 -13.979 -5.776 2.696 49 H ALA 7 H ALA 7 -11.032 -3.682 -0.123 50 HA ALA 7 HA ALA 7 -9.055 -4.497 1.971 51 HB1 ALA 7 1HB ALA 7 -9.240 -6.200 0.145 52 HB2 ALA 7 2HB ALA 7 -7.640 -5.465 0.241 53 HB3 ALA 7 3HB ALA 7 -8.770 -4.957 -1.014 54 H SER 8 H SER 8 -9.561 -2.642 -1.063 55 HA SER 8 HA SER 8 -7.249 -0.940 -0.756 56 HB2 SER 8 2HB SER 8 -9.783 -0.345 -2.305 57 HB3 SER 8 1HB SER 8 -8.147 0.185 -2.668 58 HG SER 8 HG SER 8 -8.568 -1.552 -3.977 59 H ALA 9 H ALA 9 -7.427 -0.195 1.437 60 HA ALA 9 HA ALA 9 -8.680 2.372 1.796 61 HB1 ALA 9 1HB ALA 9 -10.769 1.472 2.191 62 HB2 ALA 9 2HB ALA 9 -10.105 1.245 3.809 63 HB3 ALA 9 3HB ALA 9 -10.113 -0.096 2.665 64 H GLY 10 H GLY 10 -8.037 -0.452 3.909 65 HA2 GLY 10 2HA GLY 10 -5.952 1.162 5.330 66 HA3 GLY 10 1HA GLY 10 -7.037 0.056 6.176 67 H GLY 11 H GLY 11 -7.035 -2.194 4.671 68 HA2 GLY 11 2HA GLY 11 -4.601 -3.507 5.318 69 HA3 GLY 11 1HA GLY 11 -5.825 -4.143 4.221 70 H ALA 12 H ALA 12 -5.769 -2.311 2.137 71 HA ALA 12 HA ALA 12 -3.476 -3.116 0.608 72 HB1 ALA 12 1HB ALA 12 -4.425 -1.726 -1.082 73 HB2 ALA 12 2HB ALA 12 -5.188 -0.672 0.107 74 HB3 ALA 12 3HB ALA 12 -5.801 -2.306 -0.144 75 H VAL 13 H VAL 13 -4.240 -0.058 2.303 76 HA VAL 13 HA VAL 13 -1.931 1.439 1.545 77 HB VAL 13 HB VAL 13 -3.770 1.442 3.957 78 HG11 VAL 13 1HG1 VAL 13 -1.944 2.515 4.926 79 HG12 VAL 13 2HG1 VAL 13 -2.764 3.876 4.160 80 HG13 VAL 13 3HG1 VAL 13 -1.361 3.142 3.384 81 HG21 VAL 13 3HG2 VAL 13 -4.679 3.447 2.872 82 HG22 VAL 13 1HG2 VAL 13 -4.696 2.094 1.740 83 HG23 VAL 13 2HG2 VAL 13 -3.453 3.340 1.609 84 H PHE 14 H PHE 14 -2.445 -0.944 4.144 85 HA PHE 14 HA PHE 14 0.135 -0.559 5.422 86 HB2 PHE 14 2HB PHE 14 -2.135 -1.636 6.229 87 HB3 PHE 14 1HB PHE 14 -1.458 -3.107 5.530 88 HD1 PHE 14 2HD PHE 14 0.585 -4.116 6.433 89 HD2 PHE 14 1HD PHE 14 -1.113 -0.580 8.181 90 HE1 PHE 14 2HE PHE 14 2.010 -4.424 8.438 91 HE2 PHE 14 1HE PHE 14 0.313 -0.887 10.186 92 HZ PHE 14 HZ PHE 14 1.874 -2.809 10.315 93 H VAL 15 H VAL 15 -1.087 -2.722 2.857 94 HA VAL 15 HA VAL 15 1.131 -4.515 2.676 95 HB VAL 15 HB VAL 15 -0.846 -3.441 0.630 96 HG11 VAL 15 1HG1 VAL 15 1.216 -5.642 0.398 97 HG12 VAL 15 2HG1 VAL 15 0.957 -4.275 -0.685 98 HG13 VAL 15 3HG1 VAL 15 -0.220 -5.586 -0.624 99 HG21 VAL 15 3HG2 VAL 15 -1.242 -5.098 2.801 100 HG22 VAL 15 1HG2 VAL 15 -0.968 -6.253 1.498 101 HG23 VAL 15 2HG2 VAL 15 -2.260 -5.062 1.363 102 H GLY 16 H GLY 16 0.509 -1.395 1.016 103 HA2 GLY 16 2HA GLY 16 2.964 -1.317 -0.468 104 HA3 GLY 16 1HA GLY 16 1.971 0.090 -0.071 105 H LEU 17 H LEU 17 2.066 -0.256 2.794 106 HA LEU 17 HA LEU 17 4.433 1.203 3.485 107 HB2 LEU 17 2HB LEU 17 2.163 1.079 4.646 108 HB3 LEU 17 1HB LEU 17 2.674 -0.477 5.293 109 HG LEU 17 HG LEU 17 4.778 0.813 6.126 110 HD11 LEU 17 1HD1 LEU 17 4.213 3.214 6.653 111 HD12 LEU 17 2HD1 LEU 17 2.814 3.060 5.591 112 HD13 LEU 17 3HD1 LEU 17 4.443 2.892 4.935 113 HD21 LEU 17 3HD2 LEU 17 1.979 1.009 7.243 114 HD22 LEU 17 1HD2 LEU 17 3.351 1.690 8.116 115 HD23 LEU 17 2HD2 LEU 17 3.300 -0.037 7.764 116 H VAL 18 H VAL 18 3.576 -2.258 3.821 117 HA VAL 18 HA VAL 18 5.922 -3.125 5.219 118 HB VAL 18 HB VAL 18 3.961 -4.473 3.334 119 HG11 VAL 18 1HG1 VAL 18 6.369 -5.585 4.746 120 HG12 VAL 18 2HG1 VAL 18 5.736 -5.972 3.145 121 HG13 VAL 18 3HG1 VAL 18 4.926 -6.588 4.585 122 HG21 VAL 18 3HG2 VAL 18 3.220 -3.598 5.605 123 HG22 VAL 18 1HG2 VAL 18 4.330 -4.762 6.329 124 HG23 VAL 18 2HG2 VAL 18 2.972 -5.326 5.357 125 H LEU 19 H LEU 19 5.238 -2.813 1.718 126 HA LEU 19 HA LEU 19 7.722 -3.940 0.789 127 HB2 LEU 19 2HB LEU 19 5.350 -3.055 -0.316 128 HB3 LEU 19 1HB LEU 19 6.486 -1.820 -0.849 129 HG LEU 19 HG LEU 19 6.398 -3.587 -2.514 130 HD11 LEU 19 1HD1 LEU 19 8.964 -3.915 -0.938 131 HD12 LEU 19 2HD1 LEU 19 8.619 -2.535 -1.979 132 HD13 LEU 19 3HD1 LEU 19 8.741 -4.151 -2.671 133 HD21 LEU 19 3HD2 LEU 19 5.620 -5.370 -0.920 134 HD22 LEU 19 1HD2 LEU 19 7.275 -5.493 -0.322 135 HD23 LEU 19 2HD2 LEU 19 6.911 -5.902 -1.997 136 H LEU 20 H LEU 20 6.751 -0.621 1.681 137 HA LEU 20 HA LEU 20 9.092 0.755 0.761 138 HB2 LEU 20 2HB LEU 20 6.801 1.615 1.627 139 HB3 LEU 20 1HB LEU 20 7.506 1.464 3.236 140 HG LEU 20 HG LEU 20 9.083 2.902 1.134 141 HD11 LEU 20 1HD1 LEU 20 6.772 4.128 2.670 142 HD12 LEU 20 2HD1 LEU 20 6.816 3.851 0.929 143 HD13 LEU 20 3HD1 LEU 20 7.922 5.009 1.665 144 HD21 LEU 20 3HD2 LEU 20 10.271 2.832 3.129 145 HD22 LEU 20 1HD2 LEU 20 8.812 2.849 4.121 146 HD23 LEU 20 2HD2 LEU 20 9.380 4.337 3.360 147 H THR 21 H THR 21 8.339 -0.844 3.865 148 HA THR 21 HA THR 21 10.870 -0.153 5.136 149 HB THR 21 HB THR 21 8.891 -2.353 5.816 150 HG1 THR 21 1HG THR 21 7.560 -0.823 6.318 151 HG21 THR 21 3HG2 THR 21 10.545 -2.682 7.360 152 HG22 THR 21 1HG2 THR 21 9.735 -1.344 8.172 153 HG23 THR 21 2HG2 THR 21 11.172 -1.043 7.196 154 H LEU 22 H LEU 22 9.808 -2.713 2.991 155 HA LEU 22 HA LEU 22 11.586 -4.826 3.599 156 HB2 LEU 22 2HB LEU 22 9.588 -4.527 1.921 157 HB3 LEU 22 1HB LEU 22 10.852 -4.067 0.783 158 HG LEU 22 HG LEU 22 11.252 -6.558 2.390 159 HD11 LEU 22 1HD1 LEU 22 9.468 -6.387 -0.059 160 HD12 LEU 22 2HD1 LEU 22 8.916 -6.719 1.582 161 HD13 LEU 22 3HD1 LEU 22 9.966 -7.870 0.755 162 HD21 LEU 22 3HD2 LEU 22 13.043 -5.900 0.923 163 HD22 LEU 22 1HD2 LEU 22 11.923 -5.593 -0.405 164 HD23 LEU 22 2HD2 LEU 22 12.221 -7.246 0.132 165 H SER 23 H SER 23 12.076 -2.084 1.331 166 HA SER 23 HA SER 23 14.019 -1.095 0.485 167 HB2 SER 23 2HB SER 23 14.567 -1.929 3.143 168 HB3 SER 23 1HB SER 23 15.985 -2.336 2.186 169 HG SER 23 HG SER 23 16.000 -0.165 2.992 170 HA PRO 24 HA PRO 24 15.016 -4.692 -2.106 171 HB2 PRO 24 2HB PRO 24 15.708 -3.224 -4.312 172 HB3 PRO 24 1HB PRO 24 14.027 -3.613 -3.890 173 HG2 PRO 24 2HG PRO 24 15.561 -1.107 -3.388 174 HG3 PRO 24 1HG PRO 24 13.893 -1.312 -3.952 175 HD2 PRO 24 2HD PRO 24 14.454 -0.693 -1.403 176 HD3 PRO 24 1HD PRO 24 13.079 -1.737 -1.839 177 H HIS 25 H HIS 25 17.036 -5.575 -2.750 178 HA HIS 25 HA HIS 25 19.444 -4.121 -1.734 179 HB2 HIS 25 2HB HIS 25 18.512 -6.522 -1.052 180 HB3 HIS 25 1HB HIS 25 19.420 -7.021 -2.478 181 HD1 HIS 25 1HD HIS 25 21.965 -5.549 -2.407 182 HD2 HIS 25 2HD HIS 25 20.153 -6.819 1.128 183 HE1 HIS 25 1HE HIS 25 23.789 -5.627 -0.655 184 H TYR 26 H TYR 26 18.349 -6.082 -4.536 185 HA TYR 26 HA TYR 26 20.769 -5.709 -6.082 186 HB2 TYR 26 2HB TYR 26 18.058 -6.857 -6.410 187 HB3 TYR 26 1HB TYR 26 18.807 -6.293 -7.901 188 HD1 TYR 26 1HD TYR 26 21.165 -7.102 -8.467 189 HD2 TYR 26 2HD TYR 26 18.751 -8.887 -5.394 190 HE1 TYR 26 1HE TYR 26 22.587 -9.131 -8.526 191 HE2 TYR 26 2HE TYR 26 20.174 -10.916 -5.455 192 HH TYR 26 HH TYR 26 22.969 -11.171 -6.385 193 H LYS 27 H LYS 27 17.562 -4.102 -6.155 194 HA LYS 27 HA LYS 27 18.653 -2.048 -8.031 195 HB2 LYS 27 2HB LYS 27 16.495 -3.437 -8.388 196 HB3 LYS 27 1HB LYS 27 15.788 -2.406 -7.143 197 HG2 LYS 27 2HG LYS 27 16.851 -0.477 -8.654 198 HG3 LYS 27 1HG LYS 27 16.669 -1.703 -9.911 199 HD2 LYS 27 2HD LYS 27 14.296 -1.909 -9.451 200 HD3 LYS 27 1HD LYS 27 14.433 -0.835 -8.057 201 HE2 LYS 27 2HE LYS 27 15.265 0.965 -9.657 202 HE3 LYS 27 1HE LYS 27 14.775 -0.109 -10.983 203 HZ1 LYS 27 3HZ LYS 27 13.000 0.762 -8.758 204 HZ2 LYS 27 1HZ LYS 27 12.552 -0.212 -10.074 205 HZ3 LYS 27 2HZ LYS 27 12.981 1.412 -10.328 Start of MODEL 3 1 H1 MET 1 1HT MET 1 -6.206 -7.924 13.287 2 H2 MET 1 2HT MET 1 -6.801 -6.349 13.528 3 H3 MET 1 3HT MET 1 -7.233 -7.221 12.137 4 HA MET 1 HA MET 1 -8.491 -8.805 13.448 5 HB2 MET 1 2HB MET 1 -6.968 -7.360 15.554 6 HB3 MET 1 1HB MET 1 -8.614 -7.827 15.982 7 HG2 MET 1 2HG MET 1 -8.027 -10.161 15.105 8 HG3 MET 1 1HG MET 1 -6.347 -9.624 15.100 9 HE1 MET 1 2HE MET 1 -4.833 -10.107 17.195 10 HE2 MET 1 3HE MET 1 -5.288 -9.158 18.605 11 HE3 MET 1 1HE MET 1 -5.286 -8.418 16.995 12 H ASP 2 H ASP 2 -10.649 -8.227 14.522 13 HA ASP 2 HA ASP 2 -12.643 -7.007 14.536 14 HB2 ASP 2 2HB ASP 2 -10.656 -5.492 15.706 15 HB3 ASP 2 1HB ASP 2 -11.320 -4.378 14.512 16 H ARG 3 H ARG 3 -13.373 -4.563 13.384 17 HA ARG 3 HA ARG 3 -12.773 -4.969 10.469 18 HB2 ARG 3 2HB ARG 3 -15.331 -4.585 12.011 19 HB3 ARG 3 1HB ARG 3 -15.246 -4.092 10.321 20 HG2 ARG 3 2HG ARG 3 -14.064 -6.677 10.501 21 HG3 ARG 3 1HG ARG 3 -15.587 -6.733 11.389 22 HD2 ARG 3 2HD ARG 3 -16.869 -6.215 9.506 23 HD3 ARG 3 1HD ARG 3 -15.519 -5.419 8.679 24 HE ARG 3 HE ARG 3 -16.091 -8.259 8.593 25 HH11 ARG 3 1HH1 ARG 3 -14.469 -6.321 6.722 26 HH12 ARG 3 2HH1 ARG 3 -12.930 -7.113 6.742 27 HH21 ARG 3 1HH2 ARG 3 -13.721 -9.115 9.489 28 HH22 ARG 3 2HH2 ARG 3 -12.502 -8.711 8.329 29 H GLU 4 H GLU 4 -14.638 -2.496 12.267 30 HA GLU 4 HA GLU 4 -14.549 -0.155 12.230 31 HB2 GLU 4 2HB GLU 4 -11.695 -1.092 12.360 32 HB3 GLU 4 1HB GLU 4 -12.054 0.632 12.307 33 HG2 GLU 4 2HG GLU 4 -13.831 -0.181 14.207 34 HG3 GLU 4 1HG GLU 4 -12.515 -1.321 14.484 35 H MET 5 H MET 5 -14.659 -1.554 9.539 36 HA MET 5 HA MET 5 -14.498 -1.044 7.254 37 HB2 MET 5 2HB MET 5 -14.754 1.600 8.671 38 HB3 MET 5 1HB MET 5 -14.724 1.512 6.912 39 HG2 MET 5 2HG MET 5 -16.619 -0.186 8.540 40 HG3 MET 5 1HG MET 5 -17.039 1.453 8.047 41 HE1 MET 5 3HE MET 5 -19.142 0.067 5.331 42 HE2 MET 5 1HE MET 5 -18.789 1.426 6.412 43 HE3 MET 5 2HE MET 5 -19.112 -0.173 7.074 44 H ALA 6 H ALA 6 -12.116 -1.882 7.689 45 HA ALA 6 HA ALA 6 -10.091 0.246 7.130 46 HB1 ALA 6 1HB ALA 6 -9.878 -1.317 9.079 47 HB2 ALA 6 2HB ALA 6 -8.511 -1.386 7.967 48 HB3 ALA 6 3HB ALA 6 -9.738 -2.652 7.934 49 H ALA 7 H ALA 7 -12.006 -1.475 5.155 50 HA ALA 7 HA ALA 7 -10.185 -2.928 3.438 51 HB1 ALA 7 1HB ALA 7 -12.161 -2.763 1.861 52 HB2 ALA 7 2HB ALA 7 -12.950 -1.741 3.063 53 HB3 ALA 7 3HB ALA 7 -12.548 -3.415 3.453 54 H SER 8 H SER 8 -11.534 0.382 3.344 55 HA SER 8 HA SER 8 -9.857 1.033 0.968 56 HB2 SER 8 2HB SER 8 -12.069 2.491 2.455 57 HB3 SER 8 1HB SER 8 -11.247 3.128 1.036 58 HG SER 8 HG SER 8 -13.187 2.012 0.500 59 H ALA 9 H ALA 9 -7.993 2.207 1.230 60 HA ALA 9 HA ALA 9 -6.239 3.379 2.248 61 HB1 ALA 9 1HB ALA 9 -8.486 4.598 3.875 62 HB2 ALA 9 2HB ALA 9 -8.126 5.056 2.211 63 HB3 ALA 9 3HB ALA 9 -6.935 5.337 3.479 64 H GLY 10 H GLY 10 -6.829 0.778 3.372 65 HA2 GLY 10 2HA GLY 10 -5.724 1.184 6.102 66 HA3 GLY 10 1HA GLY 10 -7.153 0.164 5.923 67 H GLY 11 H GLY 11 -6.962 -1.817 4.711 68 HA2 GLY 11 2HA GLY 11 -4.584 -3.312 5.165 69 HA3 GLY 11 1HA GLY 11 -5.885 -3.802 4.080 70 H ALA 12 H ALA 12 -5.790 -1.772 2.171 71 HA ALA 12 HA ALA 12 -3.706 -2.606 0.408 72 HB1 ALA 12 1HB ALA 12 -5.840 -1.593 -0.290 73 HB2 ALA 12 2HB ALA 12 -4.484 -0.670 -0.938 74 HB3 ALA 12 3HB ALA 12 -5.371 -0.068 0.463 75 H VAL 13 H VAL 13 -3.973 0.294 2.496 76 HA VAL 13 HA VAL 13 -1.508 1.545 1.708 77 HB VAL 13 HB VAL 13 -3.124 1.629 4.286 78 HG11 VAL 13 1HG1 VAL 13 -1.035 2.517 4.917 79 HG12 VAL 13 2HG1 VAL 13 -1.949 3.944 4.434 80 HG13 VAL 13 3HG1 VAL 13 -0.761 3.244 3.334 81 HG21 VAL 13 3HG2 VAL 13 -4.339 2.377 2.259 82 HG22 VAL 13 1HG2 VAL 13 -3.025 3.494 1.888 83 HG23 VAL 13 2HG2 VAL 13 -4.005 3.734 3.333 84 H PHE 14 H PHE 14 -2.307 -0.808 4.274 85 HA PHE 14 HA PHE 14 0.248 -0.928 5.550 86 HB2 PHE 14 2HB PHE 14 -2.098 -1.870 6.186 87 HB3 PHE 14 1HB PHE 14 -1.622 -3.272 5.228 88 HD1 PHE 14 1HD PHE 14 -0.900 -1.282 8.251 89 HD2 PHE 14 2HD PHE 14 0.181 -4.743 5.946 90 HE1 PHE 14 1HE PHE 14 0.436 -2.133 10.156 91 HE2 PHE 14 2HE PHE 14 1.518 -5.595 7.854 92 HZ PHE 14 HZ PHE 14 1.645 -4.290 9.960 93 H VAL 15 H VAL 15 -1.076 -2.734 2.752 94 HA VAL 15 HA VAL 15 1.090 -4.584 2.419 95 HB VAL 15 HB VAL 15 -0.841 -3.326 0.432 96 HG11 VAL 15 1HG1 VAL 15 0.871 -4.265 -0.908 97 HG12 VAL 15 2HG1 VAL 15 -0.350 -5.536 -0.817 98 HG13 VAL 15 3HG1 VAL 15 1.097 -5.630 0.187 99 HG21 VAL 15 3HG2 VAL 15 -1.338 -5.028 2.579 100 HG22 VAL 15 1HG2 VAL 15 -1.211 -6.131 1.208 101 HG23 VAL 15 2HG2 VAL 15 -2.382 -4.813 1.176 102 H GLY 16 H GLY 16 0.520 -1.345 0.979 103 HA2 GLY 16 2HA GLY 16 2.991 -1.271 -0.510 104 HA3 GLY 16 1HA GLY 16 1.992 0.130 -0.112 105 H LEU 17 H LEU 17 2.035 -0.216 2.744 106 HA LEU 17 HA LEU 17 4.400 1.219 3.482 107 HB2 LEU 17 2HB LEU 17 2.210 1.257 4.653 108 HB3 LEU 17 1HB LEU 17 2.458 -0.414 5.152 109 HG LEU 17 HG LEU 17 4.776 1.170 5.857 110 HD11 LEU 17 1HD1 LEU 17 3.719 2.646 7.514 111 HD12 LEU 17 2HD1 LEU 17 2.122 2.126 6.978 112 HD13 LEU 17 3HD1 LEU 17 3.161 3.047 5.890 113 HD21 LEU 17 3HD2 LEU 17 4.121 -0.988 6.869 114 HD22 LEU 17 1HD2 LEU 17 2.659 -0.243 7.516 115 HD23 LEU 17 2HD2 LEU 17 4.242 0.270 8.098 116 H VAL 18 H VAL 18 3.517 -2.239 3.916 117 HA VAL 18 HA VAL 18 5.887 -3.060 5.306 118 HB VAL 18 HB VAL 18 3.925 -4.488 3.479 119 HG11 VAL 18 1HG1 VAL 18 5.781 -5.934 3.389 120 HG12 VAL 18 2HG1 VAL 18 4.861 -6.558 4.758 121 HG13 VAL 18 3HG1 VAL 18 6.280 -5.548 5.036 122 HG21 VAL 18 3HG2 VAL 18 4.233 -4.796 6.466 123 HG22 VAL 18 1HG2 VAL 18 2.827 -5.147 5.461 124 HG23 VAL 18 2HG2 VAL 18 3.279 -3.475 5.792 125 H LEU 19 H LEU 19 5.122 -2.889 1.830 126 HA LEU 19 HA LEU 19 7.530 -4.055 0.795 127 HB2 LEU 19 2HB LEU 19 5.336 -3.639 -0.371 128 HB3 LEU 19 1HB LEU 19 5.735 -1.924 -0.408 129 HG LEU 19 HG LEU 19 7.969 -3.454 -1.414 130 HD11 LEU 19 1HD1 LEU 19 6.915 -4.407 -3.412 131 HD12 LEU 19 2HD1 LEU 19 5.328 -3.895 -2.839 132 HD13 LEU 19 3HD1 LEU 19 6.225 -5.135 -1.962 133 HD21 LEU 19 3HD2 LEU 19 6.088 -1.666 -2.972 134 HD22 LEU 19 1HD2 LEU 19 7.819 -1.901 -3.213 135 HD23 LEU 19 2HD2 LEU 19 7.238 -1.013 -1.807 136 H LEU 20 H LEU 20 6.687 -0.713 1.700 137 HA LEU 20 HA LEU 20 9.047 0.561 0.646 138 HB2 LEU 20 2HB LEU 20 6.736 1.487 1.441 139 HB3 LEU 20 1HB LEU 20 7.477 1.510 3.040 140 HG LEU 20 HG LEU 20 9.430 2.776 1.894 141 HD11 LEU 20 1HD1 LEU 20 8.790 2.381 -0.421 142 HD12 LEU 20 2HD1 LEU 20 8.668 4.109 -0.087 143 HD13 LEU 20 3HD1 LEU 20 7.211 3.118 -0.147 144 HD21 LEU 20 3HD2 LEU 20 7.841 3.809 3.481 145 HD22 LEU 20 1HD2 LEU 20 6.698 4.078 2.164 146 HD23 LEU 20 2HD2 LEU 20 8.243 4.926 2.178 147 H THR 21 H THR 21 8.215 -0.627 3.931 148 HA THR 21 HA THR 21 10.685 0.114 5.197 149 HB THR 21 HB THR 21 8.794 -2.178 5.849 150 HG1 THR 21 1HG THR 21 7.422 -0.650 6.243 151 HG21 THR 21 3HG2 THR 21 9.760 -2.279 7.920 152 HG22 THR 21 1HG2 THR 21 10.144 -0.558 7.942 153 HG23 THR 21 2HG2 THR 21 11.163 -1.678 7.037 154 H LEU 22 H LEU 22 9.643 -2.912 3.581 155 HA LEU 22 HA LEU 22 12.012 -4.443 4.118 156 HB2 LEU 22 2HB LEU 22 9.589 -4.978 3.103 157 HB3 LEU 22 1HB LEU 22 10.468 -4.813 1.583 158 HG LEU 22 HG LEU 22 12.226 -6.381 2.786 159 HD11 LEU 22 1HD1 LEU 22 9.672 -7.300 4.117 160 HD12 LEU 22 2HD1 LEU 22 10.827 -6.250 4.936 161 HD13 LEU 22 3HD1 LEU 22 11.317 -7.861 4.413 162 HD21 LEU 22 3HD2 LEU 22 10.994 -8.350 1.864 163 HD22 LEU 22 1HD2 LEU 22 11.009 -6.984 0.747 164 HD23 LEU 22 2HD2 LEU 22 9.560 -7.339 1.688 165 H SER 23 H SER 23 11.187 -2.165 1.498 166 HA SER 23 HA SER 23 14.011 -2.372 0.497 167 HB2 SER 23 2HB SER 23 11.673 -3.031 -0.807 168 HB3 SER 23 1HB SER 23 11.902 -1.364 -1.316 169 HG SER 23 HG SER 23 13.747 -3.527 -1.512 170 HA PRO 24 HA PRO 24 13.202 1.953 1.953 171 HB2 PRO 24 2HB PRO 24 15.500 2.240 3.405 172 HB3 PRO 24 1HB PRO 24 14.018 1.524 4.069 173 HG2 PRO 24 2HG PRO 24 16.507 0.214 3.184 174 HG3 PRO 24 1HG PRO 24 15.362 -0.261 4.445 175 HD2 PRO 24 2HD PRO 24 15.540 -1.380 1.907 176 HD3 PRO 24 1HD PRO 24 14.167 -1.540 3.022 177 H HIS 25 H HIS 25 13.586 2.161 -0.447 178 HA HIS 25 HA HIS 25 14.685 3.105 -2.284 179 HB2 HIS 25 2HB HIS 25 15.937 4.360 0.136 180 HB3 HIS 25 1HB HIS 25 16.619 4.712 -1.448 181 HD1 HIS 25 1HD HIS 25 13.426 5.075 0.540 182 HD2 HIS 25 2HD HIS 25 15.031 6.368 -3.085 183 HE1 HIS 25 1HE HIS 25 11.843 6.835 -0.357 184 H TYR 26 H TYR 26 15.782 0.489 -0.983 185 HA TYR 26 HA TYR 26 17.971 0.092 -2.823 186 HB2 TYR 26 2HB TYR 26 19.777 0.506 -1.498 187 HB3 TYR 26 1HB TYR 26 18.660 1.458 -0.537 188 HD1 TYR 26 2HD TYR 26 17.696 0.518 1.561 189 HD2 TYR 26 1HD TYR 26 20.637 -1.611 -0.730 190 HE1 TYR 26 2HE TYR 26 18.125 -0.975 3.495 191 HE2 TYR 26 1HE TYR 26 21.066 -3.102 1.201 192 HH TYR 26 HH TYR 26 20.625 -2.624 4.021 193 H LYS 27 H LYS 27 18.469 -2.140 -3.005 194 HA LYS 27 HA LYS 27 16.904 -3.987 -1.232 195 HB2 LYS 27 2HB LYS 27 16.358 -5.269 -3.216 196 HB3 LYS 27 1HB LYS 27 15.936 -3.586 -3.505 197 HG2 LYS 27 2HG LYS 27 17.299 -3.516 -5.298 198 HG3 LYS 27 1HG LYS 27 18.671 -4.032 -4.316 199 HD2 LYS 27 2HD LYS 27 17.568 -6.407 -4.515 200 HD3 LYS 27 1HD LYS 27 16.758 -5.708 -5.917 201 HE2 LYS 27 2HE LYS 27 19.570 -5.013 -5.983 202 HE3 LYS 27 1HE LYS 27 19.382 -6.769 -5.829 203 HZ1 LYS 27 3HZ LYS 27 19.267 -6.051 -8.156 204 HZ2 LYS 27 1HZ LYS 27 17.936 -5.067 -7.795 205 HZ3 LYS 27 2HZ LYS 27 17.807 -6.757 -7.649 Start of MODEL 4 1 H1 MET 1 1HT MET 1 -8.111 -13.968 8.231 2 H2 MET 1 2HT MET 1 -7.047 -14.596 7.068 3 H3 MET 1 3HT MET 1 -8.362 -15.525 7.612 4 HA MET 1 HA MET 1 -8.504 -13.031 5.982 5 HB2 MET 1 2HB MET 1 -8.513 -15.955 5.494 6 HB3 MET 1 1HB MET 1 -9.761 -15.054 4.635 7 HG2 MET 1 2HG MET 1 -8.001 -14.891 3.131 8 HG3 MET 1 1HG MET 1 -7.767 -13.419 4.069 9 HE1 MET 1 2HE MET 1 -5.265 -13.972 2.634 10 HE2 MET 1 3HE MET 1 -4.117 -13.899 3.967 11 HE3 MET 1 1HE MET 1 -5.534 -12.836 3.952 12 H ASP 2 H ASP 2 -10.788 -12.572 5.297 13 HA ASP 2 HA ASP 2 -12.990 -13.791 6.800 14 HB2 ASP 2 2HB ASP 2 -11.593 -12.089 8.261 15 HB3 ASP 2 1HB ASP 2 -12.529 -10.885 7.377 16 H ARG 3 H ARG 3 -12.268 -10.599 5.262 17 HA ARG 3 HA ARG 3 -14.723 -10.976 3.566 18 HB2 ARG 3 2HB ARG 3 -13.449 -8.636 4.943 19 HB3 ARG 3 1HB ARG 3 -14.418 -8.357 3.499 20 HG2 ARG 3 2HG ARG 3 -16.364 -8.794 4.573 21 HG3 ARG 3 1HG ARG 3 -15.688 -10.183 5.425 22 HD2 ARG 3 2HD ARG 3 -14.976 -7.341 6.204 23 HD3 ARG 3 1HD ARG 3 -16.363 -8.197 6.905 24 HE ARG 3 HE ARG 3 -14.553 -10.065 7.362 25 HH11 ARG 3 1HH2 ARG 3 -14.862 -8.269 9.632 26 HH12 ARG 3 2HH2 ARG 3 -13.277 -7.612 9.861 27 HH21 ARG 3 1HH1 ARG 3 -12.163 -8.530 6.691 28 HH22 ARG 3 2HH1 ARG 3 -11.737 -7.757 8.182 29 H GLU 4 H GLU 4 -11.602 -9.206 3.500 30 HA GLU 4 HA GLU 4 -10.074 -8.778 1.782 31 HB2 GLU 4 2HB GLU 4 -11.348 -11.350 0.819 32 HB3 GLU 4 1HB GLU 4 -9.965 -10.608 0.022 33 HG2 GLU 4 2HG GLU 4 -8.555 -11.443 1.562 34 HG3 GLU 4 1HG GLU 4 -9.501 -10.743 2.875 35 H MET 5 H MET 5 -12.956 -7.734 1.582 36 HA MET 5 HA MET 5 -12.687 -6.511 -1.045 37 HB2 MET 5 2HB MET 5 -14.780 -7.466 -1.980 38 HB3 MET 5 1HB MET 5 -13.546 -8.690 -1.712 39 HG2 MET 5 2HG MET 5 -14.761 -8.973 0.619 40 HG3 MET 5 1HG MET 5 -16.115 -8.229 -0.231 41 HE1 MET 5 3HE MET 5 -17.529 -9.270 -1.974 42 HE2 MET 5 1HE MET 5 -17.812 -9.992 -0.380 43 HE3 MET 5 2HE MET 5 -17.787 -11.004 -1.820 44 H ALA 6 H ALA 6 -14.953 -7.156 1.660 45 HA ALA 6 HA ALA 6 -16.733 -4.983 1.302 46 HB1 ALA 6 1HB ALA 6 -17.152 -6.805 2.835 47 HB2 ALA 6 2HB ALA 6 -17.100 -5.313 3.773 48 HB3 ALA 6 3HB ALA 6 -15.715 -6.404 3.777 49 H ALA 7 H ALA 7 -13.724 -5.074 3.278 50 HA ALA 7 HA ALA 7 -13.881 -2.105 3.581 51 HB1 ALA 7 1HB ALA 7 -13.665 -3.557 5.585 52 HB2 ALA 7 2HB ALA 7 -12.277 -2.486 5.395 53 HB3 ALA 7 3HB ALA 7 -12.144 -4.185 4.946 54 H SER 8 H SER 8 -13.171 -1.620 1.431 55 HA SER 8 HA SER 8 -10.508 -2.550 0.534 56 HB2 SER 8 2HB SER 8 -11.158 -1.147 -1.478 57 HB3 SER 8 1HB SER 8 -12.275 -2.448 -1.092 58 HG SER 8 HG SER 8 -12.524 0.339 -0.699 59 H ALA 9 H ALA 9 -8.977 -0.824 -0.312 60 HA ALA 9 HA ALA 9 -7.645 1.075 -0.073 61 HB1 ALA 9 1HB ALA 9 -9.741 2.444 1.555 62 HB2 ALA 9 2HB ALA 9 -10.114 2.032 -0.119 63 HB3 ALA 9 3HB ALA 9 -8.741 3.074 0.247 64 H GLY 10 H GLY 10 -8.512 -0.843 2.554 65 HA2 GLY 10 2HA GLY 10 -6.925 0.776 4.493 66 HA3 GLY 10 1HA GLY 10 -7.979 -0.575 4.917 67 H GLY 11 H GLY 11 -7.294 -2.703 3.722 68 HA2 GLY 11 2HA GLY 11 -4.779 -3.552 4.691 69 HA3 GLY 11 1HA GLY 11 -5.711 -4.406 3.463 70 H ALA 12 H ALA 12 -5.673 -2.342 1.457 71 HA ALA 12 HA ALA 12 -3.261 -2.901 0.057 72 HB1 ALA 12 1HB ALA 12 -5.177 -0.557 -0.171 73 HB2 ALA 12 2HB ALA 12 -5.372 -2.125 -0.956 74 HB3 ALA 12 3HB ALA 12 -4.037 -1.067 -1.417 75 H VAL 13 H VAL 13 -4.141 -0.042 2.033 76 HA VAL 13 HA VAL 13 -1.774 1.500 1.589 77 HB VAL 13 HB VAL 13 -3.746 1.310 3.893 78 HG11 VAL 13 1HG1 VAL 13 -1.949 2.365 4.954 79 HG12 VAL 13 2HG1 VAL 13 -2.831 3.737 4.285 80 HG13 VAL 13 3HG1 VAL 13 -1.391 3.132 3.467 81 HG21 VAL 13 3HG2 VAL 13 -3.423 3.420 1.738 82 HG22 VAL 13 1HG2 VAL 13 -4.755 3.258 2.883 83 HG23 VAL 13 2HG2 VAL 13 -4.540 2.061 1.607 84 H PHE 14 H PHE 14 -2.534 -1.015 4.012 85 HA PHE 14 HA PHE 14 -0.069 -0.803 5.502 86 HB2 PHE 14 2HB PHE 14 -2.315 -1.898 6.124 87 HB3 PHE 14 1HB PHE 14 -1.789 -3.270 5.152 88 HD1 PHE 14 2HD PHE 14 -1.088 -1.263 8.180 89 HD2 PHE 14 1HD PHE 14 0.014 -4.722 5.883 90 HE1 PHE 14 2HE PHE 14 0.271 -2.092 10.080 91 HE2 PHE 14 1HE PHE 14 1.373 -5.550 7.784 92 HZ PHE 14 HZ PHE 14 1.502 -4.236 9.882 93 H VAL 15 H VAL 15 -1.083 -2.844 2.737 94 HA VAL 15 HA VAL 15 1.236 -4.508 2.567 95 HB VAL 15 HB VAL 15 -0.729 -3.474 0.491 96 HG11 VAL 15 1HG1 VAL 15 1.352 -4.246 -0.610 97 HG12 VAL 15 2HG1 VAL 15 0.008 -5.342 -0.930 98 HG13 VAL 15 3HG1 VAL 15 1.235 -5.779 0.258 99 HG21 VAL 15 3HG2 VAL 15 -1.298 -5.055 2.574 100 HG22 VAL 15 1HG2 VAL 15 -0.647 -6.290 1.497 101 HG23 VAL 15 2HG2 VAL 15 -2.029 -5.320 0.994 102 H GLY 16 H GLY 16 0.552 -1.298 1.141 103 HA2 GLY 16 2HA GLY 16 2.979 -1.090 -0.384 104 HA3 GLY 16 1HA GLY 16 1.963 0.266 0.110 105 H LEU 17 H LEU 17 2.122 -0.131 2.941 106 HA LEU 17 HA LEU 17 4.566 1.255 3.565 107 HB2 LEU 17 2HB LEU 17 2.221 1.105 4.741 108 HB3 LEU 17 1HB LEU 17 2.928 -0.280 5.571 109 HG LEU 17 HG LEU 17 4.891 1.245 6.165 110 HD11 LEU 17 1HD1 LEU 17 2.895 3.314 5.194 111 HD12 LEU 17 2HD1 LEU 17 4.511 3.023 4.552 112 HD13 LEU 17 3HD1 LEU 17 4.314 3.689 6.173 113 HD21 LEU 17 3HD2 LEU 17 3.599 2.351 8.012 114 HD22 LEU 17 1HD2 LEU 17 3.222 0.639 7.832 115 HD23 LEU 17 2HD2 LEU 17 2.107 1.856 7.213 116 H VAL 18 H VAL 18 3.575 -2.162 3.962 117 HA VAL 18 HA VAL 18 5.916 -3.084 5.350 118 HB VAL 18 HB VAL 18 3.987 -4.478 3.450 119 HG11 VAL 18 1HG1 VAL 18 5.781 -5.731 5.549 120 HG12 VAL 18 2HG1 VAL 18 6.154 -5.714 3.826 121 HG13 VAL 18 3HG1 VAL 18 4.728 -6.569 4.410 122 HG21 VAL 18 3HG2 VAL 18 3.818 -5.024 6.333 123 HG22 VAL 18 1HG2 VAL 18 2.538 -4.619 5.190 124 HG23 VAL 18 2HG2 VAL 18 3.493 -3.338 5.931 125 H LEU 19 H LEU 19 5.147 -2.809 1.874 126 HA LEU 19 HA LEU 19 7.565 -4.021 0.874 127 HB2 LEU 19 2HB LEU 19 5.257 -3.421 -0.231 128 HB3 LEU 19 1HB LEU 19 6.023 -1.865 -0.555 129 HG LEU 19 HG LEU 19 7.983 -3.249 -1.522 130 HD11 LEU 19 1HD1 LEU 19 5.767 -5.320 -1.462 131 HD12 LEU 19 2HD1 LEU 19 7.345 -5.436 -0.683 132 HD13 LEU 19 3HD1 LEU 19 7.227 -5.462 -2.441 133 HD21 LEU 19 3HD2 LEU 19 5.255 -3.137 -2.846 134 HD22 LEU 19 1HD2 LEU 19 6.746 -3.519 -3.706 135 HD23 LEU 19 2HD2 LEU 19 6.541 -1.936 -2.959 136 H LEU 20 H LEU 20 6.682 -0.651 1.663 137 HA LEU 20 HA LEU 20 8.997 0.676 0.649 138 HB2 LEU 20 2HB LEU 20 6.804 1.641 1.506 139 HB3 LEU 20 1HB LEU 20 7.410 1.370 3.139 140 HG LEU 20 HG LEU 20 9.340 2.756 1.408 141 HD11 LEU 20 1HD1 LEU 20 6.733 4.134 2.124 142 HD12 LEU 20 2HD1 LEU 20 7.250 3.710 0.491 143 HD13 LEU 20 3HD1 LEU 20 8.150 4.909 1.418 144 HD21 LEU 20 3HD2 LEU 20 8.076 3.533 4.057 145 HD22 LEU 20 1HD2 LEU 20 9.597 4.128 3.393 146 HD23 LEU 20 2HD2 LEU 20 9.459 2.447 3.910 147 H THR 21 H THR 21 8.361 -0.837 3.828 148 HA THR 21 HA THR 21 10.899 -0.136 5.033 149 HB THR 21 HB THR 21 8.969 -2.414 5.622 150 HG1 THR 21 1HG THR 21 7.711 -0.914 6.346 151 HG21 THR 21 3HG2 THR 21 11.028 -1.015 7.352 152 HG22 THR 21 1HG2 THR 21 11.104 -2.683 6.784 153 HG23 THR 21 2HG2 THR 21 9.857 -2.198 7.933 154 H LEU 22 H LEU 22 9.796 -2.809 2.996 155 HA LEU 22 HA LEU 22 12.041 -4.585 3.408 156 HB2 LEU 22 2HB LEU 22 9.620 -4.897 2.420 157 HB3 LEU 22 1HB LEU 22 10.390 -4.460 0.899 158 HG LEU 22 HG LEU 22 12.145 -6.263 1.478 159 HD11 LEU 22 1HD1 LEU 22 11.731 -6.765 3.743 160 HD12 LEU 22 2HD1 LEU 22 10.975 -8.111 2.891 161 HD13 LEU 22 3HD1 LEU 22 9.982 -6.794 3.512 162 HD21 LEU 22 3HD2 LEU 22 10.617 -8.070 0.628 163 HD22 LEU 22 1HD2 LEU 22 10.519 -6.578 -0.307 164 HD23 LEU 22 2HD2 LEU 22 9.257 -6.972 0.861 165 H SER 23 H SER 23 11.411 -1.904 1.168 166 HA SER 23 HA SER 23 12.769 -0.766 -0.353 167 HB2 SER 23 2HB SER 23 14.996 -2.096 1.216 168 HB3 SER 23 1HB SER 23 15.114 -0.621 0.267 169 HG SER 23 HG SER 23 14.165 -1.027 2.801 170 HA PRO 24 HA PRO 24 13.486 -4.794 -2.687 171 HB2 PRO 24 2HB PRO 24 11.437 -4.539 -4.476 172 HB3 PRO 24 1HB PRO 24 11.252 -5.345 -2.903 173 HG2 PRO 24 2HG PRO 24 10.460 -2.600 -3.718 174 HG3 PRO 24 1HG PRO 24 9.619 -3.757 -2.674 175 HD2 PRO 24 2HD PRO 24 11.044 -1.648 -1.719 176 HD3 PRO 24 1HD PRO 24 10.818 -3.166 -0.825 177 H HIS 25 H HIS 25 14.785 -4.730 -4.510 178 HA HIS 25 HA HIS 25 15.702 -2.246 -5.594 179 HB2 HIS 25 2HB HIS 25 17.027 -3.643 -7.064 180 HB3 HIS 25 1HB HIS 25 16.957 -4.408 -5.484 181 HD1 HIS 25 1HD HIS 25 15.721 -4.773 -9.018 182 HD2 HIS 25 2HD HIS 25 15.543 -6.883 -5.426 183 HE1 HIS 25 1HE HIS 25 14.816 -7.070 -9.579 184 H TYR 26 H TYR 26 13.122 -4.422 -6.656 185 HA TYR 26 HA TYR 26 12.634 -2.649 -9.019 186 HB2 TYR 26 2HB TYR 26 11.813 -4.549 -10.139 187 HB3 TYR 26 1HB TYR 26 13.158 -5.193 -9.210 188 HD1 TYR 26 1HD TYR 26 12.742 -6.585 -7.193 189 HD2 TYR 26 2HD TYR 26 9.517 -5.093 -9.608 190 HE1 TYR 26 1HE TYR 26 11.189 -8.182 -6.108 191 HE2 TYR 26 2HE TYR 26 7.966 -6.690 -8.522 192 HH TYR 26 HH TYR 26 8.089 -7.945 -5.997 193 H LYS 27 H LYS 27 10.477 -1.897 -9.359 194 HA LYS 27 HA LYS 27 8.281 -2.576 -7.576 195 HB2 LYS 27 2HB LYS 27 8.170 -0.433 -6.403 196 HB3 LYS 27 1HB LYS 27 9.727 -1.197 -6.103 197 HG2 LYS 27 2HG LYS 27 10.462 0.237 -8.216 198 HG3 LYS 27 1HG LYS 27 9.084 1.226 -7.744 199 HD2 LYS 27 2HD LYS 27 10.267 2.151 -6.076 200 HD3 LYS 27 1HD LYS 27 10.591 0.563 -5.387 201 HE2 LYS 27 2HE LYS 27 12.172 1.574 -7.759 202 HE3 LYS 27 1HE LYS 27 12.646 1.972 -6.096 203 HZ1 LYS 27 3HZ LYS 27 12.167 -0.776 -7.123 204 HZ2 LYS 27 1HZ LYS 27 12.637 -0.379 -5.544 205 HZ3 LYS 27 2HZ LYS 27 13.693 -0.091 -6.845 Start of MODEL 5 1 H1 MET 1 1HT MET 1 -20.021 2.165 2.913 2 H2 MET 1 2HT MET 1 -18.923 0.987 3.464 3 H3 MET 1 3HT MET 1 -20.392 0.521 2.748 4 HA MET 1 HA MET 1 -19.640 1.590 0.631 5 HB2 MET 1 2HB MET 1 -17.292 2.000 2.471 6 HB3 MET 1 1HB MET 1 -17.023 1.861 0.738 7 HG2 MET 1 2HG MET 1 -17.366 4.120 0.797 8 HG3 MET 1 1HG MET 1 -19.061 3.643 0.735 9 HE1 MET 1 2HE MET 1 -16.378 5.551 2.556 10 HE2 MET 1 3HE MET 1 -16.079 3.945 3.213 11 HE3 MET 1 1HE MET 1 -16.646 5.249 4.269 12 H ASP 2 H ASP 2 -17.840 0.364 -0.749 13 HA ASP 2 HA ASP 2 -17.908 -2.518 0.076 14 HB2 ASP 2 2HB ASP 2 -17.945 -1.039 -2.558 15 HB3 ASP 2 1HB ASP 2 -17.582 -2.762 -2.478 16 H ARG 3 H ARG 3 -15.789 -0.463 0.841 17 HA ARG 3 HA ARG 3 -13.450 -2.093 0.121 18 HB2 ARG 3 2HB ARG 3 -12.254 -0.212 -0.923 19 HB3 ARG 3 1HB ARG 3 -13.741 -0.557 -1.796 20 HG2 ARG 3 2HG ARG 3 -14.444 1.558 -1.482 21 HG3 ARG 3 1HG ARG 3 -14.321 1.364 0.266 22 HD2 ARG 3 2HD ARG 3 -11.683 1.659 -0.367 23 HD3 ARG 3 1HD ARG 3 -12.435 2.668 -1.618 24 HE ARG 3 HE ARG 3 -13.804 3.581 0.473 25 HH11 ARG 3 1HH1 ARG 3 -11.851 2.124 2.292 26 HH12 ARG 3 2HH1 ARG 3 -10.740 3.390 2.698 27 HH21 ARG 3 1HH2 ARG 3 -11.797 5.473 0.091 28 HH22 ARG 3 2HH2 ARG 3 -10.711 5.316 1.428 29 H GLU 4 H GLU 4 -14.402 -1.929 2.638 30 HA GLU 4 HA GLU 4 -12.688 0.109 4.035 31 HB2 GLU 4 2HB GLU 4 -15.395 -1.091 4.582 32 HB3 GLU 4 1HB GLU 4 -14.453 -0.368 5.886 33 HG2 GLU 4 2HG GLU 4 -14.406 1.763 4.805 34 HG3 GLU 4 1HG GLU 4 -15.028 1.091 3.298 35 H MET 5 H MET 5 -11.704 -2.474 3.155 36 HA MET 5 HA MET 5 -10.602 -3.487 5.656 37 HB2 MET 5 2HB MET 5 -13.047 -4.591 4.614 38 HB3 MET 5 1HB MET 5 -11.780 -5.808 4.483 39 HG2 MET 5 2HG MET 5 -12.354 -4.247 7.015 40 HG3 MET 5 1HG MET 5 -13.010 -5.848 6.678 41 HE1 MET 5 3HE MET 5 -11.461 -6.354 9.292 42 HE2 MET 5 1HE MET 5 -11.372 -4.619 8.950 43 HE3 MET 5 2HE MET 5 -9.909 -5.524 9.323 44 H ALA 6 H ALA 6 -11.315 -4.804 2.390 45 HA ALA 6 HA ALA 6 -8.740 -6.028 2.011 46 HB1 ALA 6 1HB ALA 6 -10.967 -6.522 0.877 47 HB2 ALA 6 2HB ALA 6 -9.564 -6.472 -0.190 48 HB3 ALA 6 3HB ALA 6 -10.672 -5.101 -0.126 49 H ALA 7 H ALA 7 -9.965 -2.781 1.245 50 HA ALA 7 HA ALA 7 -7.203 -1.891 0.663 51 HB1 ALA 7 1HB ALA 7 -7.856 -0.965 -1.515 52 HB2 ALA 7 2HB ALA 7 -9.507 -1.544 -1.288 53 HB3 ALA 7 3HB ALA 7 -8.186 -2.697 -1.486 54 H SER 8 H SER 8 -7.458 -0.661 2.580 55 HA SER 8 HA SER 8 -8.825 1.916 2.226 56 HB2 SER 8 2HB SER 8 -10.625 0.447 3.001 57 HB3 SER 8 1HB SER 8 -9.648 -0.089 4.356 58 HG SER 8 HG SER 8 -9.991 1.789 5.344 59 H ALA 9 H ALA 9 -8.040 0.401 5.351 60 HA ALA 9 HA ALA 9 -5.819 2.384 5.696 61 HB1 ALA 9 1HB ALA 9 -7.856 2.545 7.132 62 HB2 ALA 9 2HB ALA 9 -6.392 2.234 8.065 63 HB3 ALA 9 3HB ALA 9 -7.523 0.921 7.735 64 H GLY 10 H GLY 10 -6.762 -1.020 6.277 65 HA2 GLY 10 2HA GLY 10 -3.869 -1.679 6.630 66 HA3 GLY 10 1HA GLY 10 -5.146 -2.512 7.508 67 H GLY 11 H GLY 11 -6.002 -1.765 4.258 68 HA2 GLY 11 2HA GLY 11 -5.591 -4.620 3.512 69 HA3 GLY 11 1HA GLY 11 -6.812 -3.555 2.818 70 H ALA 12 H ALA 12 -5.537 -1.364 1.990 71 HA ALA 12 HA ALA 12 -3.583 -2.400 -0.018 72 HB1 ALA 12 1HB ALA 12 -5.625 -1.330 -0.849 73 HB2 ALA 12 2HB ALA 12 -4.230 -0.322 -1.231 74 HB3 ALA 12 3HB ALA 12 -5.286 0.111 0.112 75 H VAL 13 H VAL 13 -4.087 0.375 2.195 76 HA VAL 13 HA VAL 13 -1.584 1.673 1.803 77 HB VAL 13 HB VAL 13 -3.439 1.515 4.200 78 HG11 VAL 13 1HG1 VAL 13 -1.048 3.259 3.611 79 HG12 VAL 13 2HG1 VAL 13 -1.433 2.385 5.092 80 HG13 VAL 13 3HG1 VAL 13 -2.351 3.825 4.655 81 HG21 VAL 13 3HG2 VAL 13 -3.188 3.416 1.849 82 HG22 VAL 13 1HG2 VAL 13 -4.132 3.787 3.291 83 HG23 VAL 13 2HG2 VAL 13 -4.579 2.418 2.274 84 H PHE 14 H PHE 14 -2.483 -0.895 4.149 85 HA PHE 14 HA PHE 14 0.005 -0.950 5.574 86 HB2 PHE 14 2HB PHE 14 -2.230 -1.969 6.189 87 HB3 PHE 14 1HB PHE 14 -1.881 -3.261 5.044 88 HD1 PHE 14 1HD PHE 14 -0.715 -1.598 8.159 89 HD2 PHE 14 2HD PHE 14 -0.337 -5.011 5.578 90 HE1 PHE 14 1HE PHE 14 0.646 -2.751 9.882 91 HE2 PHE 14 2HE PHE 14 1.023 -6.163 7.300 92 HZ PHE 14 HZ PHE 14 1.516 -5.033 9.453 93 H VAL 15 H VAL 15 -1.106 -2.875 2.759 94 HA VAL 15 HA VAL 15 1.189 -4.540 2.467 95 HB VAL 15 HB VAL 15 -0.872 -3.446 0.526 96 HG11 VAL 15 1HG1 VAL 15 0.996 -4.053 -0.858 97 HG12 VAL 15 2HG1 VAL 15 -0.146 -5.394 -0.935 98 HG13 VAL 15 3HG1 VAL 15 1.293 -5.519 0.076 99 HG21 VAL 15 3HG2 VAL 15 -0.516 -6.192 1.772 100 HG22 VAL 15 1HG2 VAL 15 -1.862 -5.665 0.764 101 HG23 VAL 15 2HG2 VAL 15 -1.634 -4.964 2.365 102 H GLY 16 H GLY 16 0.500 -1.303 1.080 103 HA2 GLY 16 2HA GLY 16 2.913 -1.109 -0.467 104 HA3 GLY 16 1HA GLY 16 1.907 0.250 0.030 105 H LEU 17 H LEU 17 2.124 -0.229 2.889 106 HA LEU 17 HA LEU 17 4.593 1.178 3.439 107 HB2 LEU 17 2HB LEU 17 2.142 0.682 4.696 108 HB3 LEU 17 1HB LEU 17 3.320 -0.123 5.724 109 HG LEU 17 HG LEU 17 3.036 2.166 6.485 110 HD11 LEU 17 1HD1 LEU 17 5.357 1.095 6.400 111 HD12 LEU 17 2HD1 LEU 17 5.310 2.852 6.546 112 HD13 LEU 17 3HD1 LEU 17 5.659 2.105 4.987 113 HD21 LEU 17 3HD2 LEU 17 4.006 3.112 3.780 114 HD22 LEU 17 1HD2 LEU 17 3.327 4.078 5.089 115 HD23 LEU 17 2HD2 LEU 17 2.292 2.984 4.171 116 H VAL 18 H VAL 18 3.593 -2.234 3.787 117 HA VAL 18 HA VAL 18 5.860 -3.166 5.284 118 HB VAL 18 HB VAL 18 3.953 -4.465 3.307 119 HG11 VAL 18 1HG1 VAL 18 4.747 -6.625 4.440 120 HG12 VAL 18 2HG1 VAL 18 6.137 -5.697 5.002 121 HG13 VAL 18 3HG1 VAL 18 5.854 -5.903 3.273 122 HG21 VAL 18 3HG2 VAL 18 3.969 -5.182 6.181 123 HG22 VAL 18 1HG2 VAL 18 2.607 -4.854 5.109 124 HG23 VAL 18 2HG2 VAL 18 3.498 -3.518 5.834 125 H LEU 19 H LEU 19 5.274 -3.153 1.734 126 HA LEU 19 HA LEU 19 7.871 -4.156 1.003 127 HB2 LEU 19 2HB LEU 19 5.462 -3.435 -0.255 128 HB3 LEU 19 1HB LEU 19 6.665 -2.350 -0.946 129 HG LEU 19 HG LEU 19 6.547 -4.368 -2.294 130 HD11 LEU 19 1HD1 LEU 19 9.061 -4.587 -0.627 131 HD12 LEU 19 2HD1 LEU 19 8.798 -3.292 -1.793 132 HD13 LEU 19 3HD1 LEU 19 8.858 -4.968 -2.336 133 HD21 LEU 19 3HD2 LEU 19 7.378 -5.957 0.144 134 HD22 LEU 19 1HD2 LEU 19 6.846 -6.569 -1.421 135 HD23 LEU 19 2HD2 LEU 19 5.691 -5.788 -0.342 136 H LEU 20 H LEU 20 6.651 -0.905 1.698 137 HA LEU 20 HA LEU 20 8.811 0.661 0.658 138 HB2 LEU 20 2HB LEU 20 6.403 1.045 2.041 139 HB3 LEU 20 1HB LEU 20 7.631 1.644 3.152 140 HG LEU 20 HG LEU 20 7.528 2.452 0.238 141 HD11 LEU 20 1HD1 LEU 20 5.447 3.178 1.245 142 HD12 LEU 20 2HD1 LEU 20 6.514 4.577 1.113 143 HD13 LEU 20 3HD1 LEU 20 6.297 3.778 2.670 144 HD21 LEU 20 3HD2 LEU 20 9.639 2.683 1.764 145 HD22 LEU 20 1HD2 LEU 20 8.729 3.969 2.556 146 HD23 LEU 20 2HD2 LEU 20 9.117 4.090 0.841 147 H THR 21 H THR 21 8.240 -0.730 3.901 148 HA THR 21 HA THR 21 10.711 0.164 5.095 149 HB THR 21 HB THR 21 8.891 -2.176 5.783 150 HG1 THR 21 1HG THR 21 7.558 -0.546 6.005 151 HG21 THR 21 3HG2 THR 21 10.642 -2.503 7.237 152 HG22 THR 21 1HG2 THR 21 9.765 -1.276 8.152 153 HG23 THR 21 2HG2 THR 21 11.156 -0.818 7.169 154 H LEU 22 H LEU 22 9.878 -2.581 3.060 155 HA LEU 22 HA LEU 22 11.980 -4.393 3.696 156 HB2 LEU 22 2HB LEU 22 9.826 -4.543 2.207 157 HB3 LEU 22 1HB LEU 22 10.895 -4.003 0.915 158 HG LEU 22 HG LEU 22 11.796 -6.265 2.660 159 HD11 LEU 22 1HD1 LEU 22 9.433 -6.769 2.018 160 HD12 LEU 22 2HD1 LEU 22 10.593 -7.880 1.290 161 HD13 LEU 22 3HD1 LEU 22 9.888 -6.583 0.324 162 HD21 LEU 22 3HD2 LEU 22 13.416 -5.642 1.064 163 HD22 LEU 22 1HD2 LEU 22 12.204 -5.308 -0.172 164 HD23 LEU 22 2HD2 LEU 22 12.581 -6.974 0.264 165 H SER 23 H SER 23 11.865 -1.998 0.986 166 HA SER 23 HA SER 23 14.819 -1.668 1.242 167 HB2 SER 23 2HB SER 23 13.291 -2.653 -1.173 168 HB3 SER 23 1HB SER 23 14.909 -1.978 -1.297 169 HG SER 23 HG SER 23 14.505 -4.402 -0.906 170 HA PRO 24 HA PRO 24 12.625 2.289 0.217 171 HB2 PRO 24 2HB PRO 24 13.312 3.678 2.466 172 HB3 PRO 24 1HB PRO 24 11.880 2.637 2.375 173 HG2 PRO 24 2HG PRO 24 14.438 2.188 3.745 174 HG3 PRO 24 1HG PRO 24 12.835 1.524 4.085 175 HD2 PRO 24 2HD PRO 24 14.971 0.226 2.780 176 HD3 PRO 24 1HD PRO 24 13.301 -0.356 2.950 177 H HIS 25 H HIS 25 14.635 1.960 -1.298 178 HA HIS 25 HA HIS 25 16.634 2.749 -2.250 179 HB2 HIS 25 2HB HIS 25 15.466 5.074 -0.721 180 HB3 HIS 25 1HB HIS 25 16.950 5.266 -1.650 181 HD1 HIS 25 1HD HIS 25 16.692 5.625 -4.133 182 HD2 HIS 25 2HD HIS 25 13.205 4.135 -2.397 183 HE1 HIS 25 1HE HIS 25 14.925 5.644 -5.944 184 H TYR 26 H TYR 26 16.898 1.320 0.342 185 HA TYR 26 HA TYR 26 19.658 2.073 0.988 186 HB2 TYR 26 2HB TYR 26 18.553 3.679 2.359 187 HB3 TYR 26 1HB TYR 26 17.309 2.531 2.839 188 HD1 TYR 26 1HD TYR 26 20.904 3.410 3.216 189 HD2 TYR 26 2HD TYR 26 17.633 1.037 4.680 190 HE1 TYR 26 1HE TYR 26 22.251 2.771 5.196 191 HE2 TYR 26 2HE TYR 26 18.983 0.401 6.659 192 HH TYR 26 HH TYR 26 21.870 0.343 6.968 193 H LYS 27 H LYS 27 20.677 0.433 2.329 194 HA LYS 27 HA LYS 27 19.115 -2.095 2.671 195 HB2 LYS 27 2HB LYS 27 21.219 -3.286 1.973 196 HB3 LYS 27 1HB LYS 27 20.486 -2.327 0.699 197 HG2 LYS 27 2HG LYS 27 22.539 -1.416 0.411 198 HG3 LYS 27 1HG LYS 27 22.238 -0.530 1.900 199 HD2 LYS 27 2HD LYS 27 24.185 -1.553 2.532 200 HD3 LYS 27 1HD LYS 27 23.073 -2.849 2.974 201 HE2 LYS 27 2HE LYS 27 23.583 -4.115 1.043 202 HE3 LYS 27 1HE LYS 27 24.273 -2.716 0.198 203 HZ1 LYS 27 3HZ LYS 27 25.970 -4.228 1.166 204 HZ2 LYS 27 1HZ LYS 27 25.393 -3.844 2.711 205 HZ3 LYS 27 2HZ LYS 27 26.079 -2.633 1.734 Start of MODEL 6 1 H1 MET 1 1HT MET 1 -20.038 -4.262 7.843 2 H2 MET 1 2HT MET 1 -19.034 -4.051 9.196 3 H3 MET 1 3HT MET 1 -20.362 -5.108 9.278 4 HA MET 1 HA MET 1 -18.412 -6.453 9.047 5 HB2 MET 1 2HB MET 1 -20.315 -6.089 6.759 6 HB3 MET 1 1HB MET 1 -18.972 -7.209 6.545 7 HG2 MET 1 2HG MET 1 -19.641 -8.469 8.518 8 HG3 MET 1 1HG MET 1 -20.918 -7.303 8.869 9 HE1 MET 1 2HE MET 1 -23.036 -6.933 7.489 10 HE2 MET 1 3HE MET 1 -23.117 -8.229 8.679 11 HE3 MET 1 1HE MET 1 -23.858 -8.436 7.083 12 H ASP 2 H ASP 2 -16.260 -5.981 8.837 13 HA ASP 2 HA ASP 2 -15.293 -4.736 6.296 14 HB2 ASP 2 2HB ASP 2 -14.637 -3.896 9.140 15 HB3 ASP 2 1HB ASP 2 -13.828 -3.272 7.705 16 H ARG 3 H ARG 3 -14.083 -6.437 5.506 17 HA ARG 3 HA ARG 3 -11.663 -7.289 6.899 18 HB2 ARG 3 2HB ARG 3 -14.158 -8.789 7.155 19 HB3 ARG 3 1HB ARG 3 -12.883 -9.774 6.441 20 HG2 ARG 3 2HG ARG 3 -11.489 -8.578 8.445 21 HG3 ARG 3 1HG ARG 3 -13.092 -8.647 9.176 22 HD2 ARG 3 2HD ARG 3 -12.932 -11.160 8.119 23 HD3 ARG 3 1HD ARG 3 -11.231 -10.859 8.524 24 HE ARG 3 HE ARG 3 -11.933 -10.375 10.845 25 HH11 ARG 3 1HH1 ARG 3 -13.083 -13.115 9.766 26 HH12 ARG 3 2HH1 ARG 3 -14.621 -13.108 10.559 27 HH21 ARG 3 1HH2 ARG 3 -14.437 -9.734 11.427 28 HH22 ARG 3 2HH2 ARG 3 -15.397 -11.171 11.509 29 H GLU 4 H GLU 4 -10.213 -8.311 5.451 30 HA GLU 4 HA GLU 4 -9.239 -8.812 3.382 31 HB2 GLU 4 2HB GLU 4 -12.028 -9.951 3.190 32 HB3 GLU 4 1HB GLU 4 -10.859 -10.166 1.890 33 HG2 GLU 4 2HG GLU 4 -9.880 -11.843 3.019 34 HG3 GLU 4 1HG GLU 4 -9.545 -10.759 4.367 35 H MET 5 H MET 5 -10.679 -6.151 3.695 36 HA MET 5 HA MET 5 -10.391 -5.216 0.964 37 HB2 MET 5 2HB MET 5 -12.847 -6.376 1.595 38 HB3 MET 5 1HB MET 5 -13.145 -4.651 1.814 39 HG2 MET 5 2HG MET 5 -11.857 -4.459 -0.493 40 HG3 MET 5 1HG MET 5 -12.370 -6.138 -0.669 41 HE1 MET 5 3HE MET 5 -14.179 -3.682 -2.838 42 HE2 MET 5 1HE MET 5 -14.727 -5.366 -2.875 43 HE3 MET 5 2HE MET 5 -13.018 -4.995 -2.677 44 H ALA 6 H ALA 6 -12.346 -4.344 3.864 45 HA ALA 6 HA ALA 6 -12.457 -2.348 5.103 46 HB1 ALA 6 1HB ALA 6 -9.485 -2.227 4.566 47 HB2 ALA 6 2HB ALA 6 -10.185 -3.498 5.568 48 HB3 ALA 6 3HB ALA 6 -10.350 -1.809 6.046 49 H ALA 7 H ALA 7 -13.476 -1.674 2.847 50 HA ALA 7 HA ALA 7 -13.920 0.080 1.367 51 HB1 ALA 7 1HB ALA 7 -13.329 1.288 3.559 52 HB2 ALA 7 2HB ALA 7 -13.236 2.232 2.072 53 HB3 ALA 7 3HB ALA 7 -11.762 1.611 2.814 54 H SER 8 H SER 8 -11.547 -1.862 0.922 55 HA SER 8 HA SER 8 -9.816 -2.197 -0.622 56 HB2 SER 8 2HB SER 8 -11.887 -0.450 -1.854 57 HB3 SER 8 1HB SER 8 -10.358 -0.559 -2.716 58 HG SER 8 HG SER 8 -12.072 -2.679 -1.895 59 H ALA 9 H ALA 9 -9.200 -0.315 1.491 60 HA ALA 9 HA ALA 9 -7.047 1.228 0.145 61 HB1 ALA 9 1HB ALA 9 -9.079 2.654 0.224 62 HB2 ALA 9 2HB ALA 9 -7.765 3.311 1.202 63 HB3 ALA 9 3HB ALA 9 -9.110 2.477 1.979 64 H GLY 10 H GLY 10 -8.587 0.480 3.325 65 HA2 GLY 10 2HA GLY 10 -6.418 1.148 5.005 66 HA3 GLY 10 1HA GLY 10 -7.609 -0.093 5.383 67 H GLY 11 H GLY 11 -7.198 -2.173 3.883 68 HA2 GLY 11 2HA GLY 11 -4.741 -3.349 4.729 69 HA3 GLY 11 1HA GLY 11 -5.819 -4.028 3.509 70 H ALA 12 H ALA 12 -5.669 -1.799 1.661 71 HA ALA 12 HA ALA 12 -3.406 -2.519 0.082 72 HB1 ALA 12 1HB ALA 12 -5.193 -0.067 0.110 73 HB2 ALA 12 2HB ALA 12 -5.413 -1.527 -0.856 74 HB3 ALA 12 3HB ALA 12 -4.061 -0.444 -1.189 75 H VAL 13 H VAL 13 -3.930 0.404 2.121 76 HA VAL 13 HA VAL 13 -1.382 1.622 1.664 77 HB VAL 13 HB VAL 13 -3.361 1.703 3.965 78 HG11 VAL 13 1HG1 VAL 13 -0.769 3.188 3.567 79 HG12 VAL 13 2HG1 VAL 13 -1.411 2.456 5.037 80 HG13 VAL 13 3HG1 VAL 13 -2.111 3.953 4.421 81 HG21 VAL 13 3HG2 VAL 13 -2.755 3.943 2.055 82 HG22 VAL 13 1HG2 VAL 13 -4.253 3.585 2.913 83 HG23 VAL 13 2HG2 VAL 13 -3.782 2.615 1.518 84 H PHE 14 H PHE 14 -2.428 -0.790 4.078 85 HA PHE 14 HA PHE 14 -0.027 -0.888 5.640 86 HB2 PHE 14 2HB PHE 14 -2.217 -1.806 6.304 87 HB3 PHE 14 1HB PHE 14 -2.122 -2.994 5.006 88 HD1 PHE 14 1HD PHE 14 -0.294 -1.813 8.058 89 HD2 PHE 14 2HD PHE 14 -1.102 -5.072 5.378 90 HE1 PHE 14 1HE PHE 14 0.961 -3.349 9.545 91 HE2 PHE 14 2HE PHE 14 0.154 -6.607 6.866 92 HZ PHE 14 HZ PHE 14 1.185 -5.746 8.950 93 H VAL 15 H VAL 15 -1.076 -2.827 2.810 94 HA VAL 15 HA VAL 15 1.208 -4.545 2.641 95 HB VAL 15 HB VAL 15 -0.773 -3.500 0.585 96 HG11 VAL 15 1HG1 VAL 15 -0.080 -5.462 -0.790 97 HG12 VAL 15 2HG1 VAL 15 1.228 -5.773 0.352 98 HG13 VAL 15 3HG1 VAL 15 1.221 -4.286 -0.598 99 HG21 VAL 15 3HG2 VAL 15 -1.475 -4.964 2.620 100 HG22 VAL 15 1HG2 VAL 15 -0.632 -6.268 1.784 101 HG23 VAL 15 2HG2 VAL 15 -2.004 -5.470 1.016 102 H GLY 16 H GLY 16 0.552 -1.352 1.156 103 HA2 GLY 16 2HA GLY 16 2.944 -1.178 -0.404 104 HA3 GLY 16 1HA GLY 16 1.983 0.199 0.135 105 H LEU 17 H LEU 17 2.216 -0.227 2.952 106 HA LEU 17 HA LEU 17 4.705 1.091 3.535 107 HB2 LEU 17 2HB LEU 17 2.543 1.182 4.832 108 HB3 LEU 17 1HB LEU 17 2.870 -0.457 5.393 109 HG LEU 17 HG LEU 17 5.182 1.287 5.767 110 HD11 LEU 17 1HD1 LEU 17 4.240 2.698 7.519 111 HD12 LEU 17 2HD1 LEU 17 2.642 1.997 7.267 112 HD13 LEU 17 3HD1 LEU 17 3.376 2.993 6.010 113 HD21 LEU 17 3HD2 LEU 17 4.760 -0.953 6.826 114 HD22 LEU 17 1HD2 LEU 17 3.448 -0.223 7.752 115 HD23 LEU 17 2HD2 LEU 17 5.108 0.316 8.000 116 H VAL 18 H VAL 18 3.658 -2.320 3.875 117 HA VAL 18 HA VAL 18 6.033 -3.300 5.162 118 HB VAL 18 HB VAL 18 3.892 -4.547 3.406 119 HG11 VAL 18 1HG1 VAL 18 4.709 -6.744 4.321 120 HG12 VAL 18 2HG1 VAL 18 6.140 -5.907 4.923 121 HG13 VAL 18 3HG1 VAL 18 5.829 -5.988 3.189 122 HG21 VAL 18 3HG2 VAL 18 3.107 -5.451 5.568 123 HG22 VAL 18 1HG2 VAL 18 3.183 -3.690 5.612 124 HG23 VAL 18 2HG2 VAL 18 4.444 -4.647 6.390 125 H LEU 19 H LEU 19 5.205 -2.759 1.748 126 HA LEU 19 HA LEU 19 7.573 -4.061 0.663 127 HB2 LEU 19 2HB LEU 19 5.170 -3.243 -0.314 128 HB3 LEU 19 1HB LEU 19 6.169 -1.886 -0.820 129 HG LEU 19 HG LEU 19 6.042 -3.629 -2.566 130 HD11 LEU 19 1HD1 LEU 19 8.143 -2.217 -2.136 131 HD12 LEU 19 2HD1 LEU 19 8.351 -3.676 -3.103 132 HD13 LEU 19 3HD1 LEU 19 8.830 -3.668 -1.407 133 HD21 LEU 19 3HD2 LEU 19 7.593 -5.427 -0.691 134 HD22 LEU 19 1HD2 LEU 19 6.856 -5.842 -2.237 135 HD23 LEU 19 2HD2 LEU 19 5.839 -5.518 -0.834 136 H LEU 20 H LEU 20 6.658 -0.702 1.475 137 HA LEU 20 HA LEU 20 9.127 0.514 0.564 138 HB2 LEU 20 2HB LEU 20 6.704 1.455 1.115 139 HB3 LEU 20 1HB LEU 20 7.399 1.682 2.719 140 HG LEU 20 HG LEU 20 9.366 2.839 1.518 141 HD11 LEU 20 1HD1 LEU 20 8.968 2.196 -0.757 142 HD12 LEU 20 2HD1 LEU 20 8.603 3.919 -0.662 143 HD13 LEU 20 3HD1 LEU 20 7.291 2.739 -0.688 144 HD21 LEU 20 3HD2 LEU 20 7.810 4.129 2.836 145 HD22 LEU 20 1HD2 LEU 20 6.570 4.015 1.587 146 HD23 LEU 20 2HD2 LEU 20 8.020 4.977 1.306 147 H THR 21 H THR 21 7.989 -0.720 3.727 148 HA THR 21 HA THR 21 10.202 0.258 5.278 149 HB THR 21 HB THR 21 7.825 -0.755 5.882 150 HG1 THR 21 1HG THR 21 8.913 0.093 7.512 151 HG21 THR 21 3HG2 THR 21 7.758 -3.005 6.521 152 HG22 THR 21 1HG2 THR 21 9.515 -3.150 6.552 153 HG23 THR 21 2HG2 THR 21 8.665 -3.064 5.012 154 H LEU 22 H LEU 22 9.920 -2.507 3.135 155 HA LEU 22 HA LEU 22 12.162 -4.021 4.206 156 HB2 LEU 22 2HB LEU 22 10.129 -4.247 2.183 157 HB3 LEU 22 1HB LEU 22 11.695 -4.591 1.452 158 HG LEU 22 HG LEU 22 12.012 -6.022 3.687 159 HD11 LEU 22 1HD1 LEU 22 9.779 -5.323 4.569 160 HD12 LEU 22 2HD1 LEU 22 9.920 -7.070 4.377 161 HD13 LEU 22 3HD1 LEU 22 9.019 -6.123 3.193 162 HD21 LEU 22 3HD2 LEU 22 11.051 -7.980 2.392 163 HD22 LEU 22 1HD2 LEU 22 12.198 -6.995 1.485 164 HD23 LEU 22 2HD2 LEU 22 10.466 -6.819 1.201 165 H SER 23 H SER 23 11.825 -1.376 1.896 166 HA SER 23 HA SER 23 13.391 -0.065 0.779 167 HB2 SER 23 2HB SER 23 14.529 -0.868 3.215 168 HB3 SER 23 1HB SER 23 15.790 -1.151 2.021 169 HG SER 23 HG SER 23 15.850 0.954 1.587 170 HA PRO 24 HA PRO 24 14.608 -3.684 -1.857 171 HB2 PRO 24 2HB PRO 24 12.753 -3.363 -3.835 172 HB3 PRO 24 1HB PRO 24 12.451 -4.317 -2.370 173 HG2 PRO 24 2HG PRO 24 11.431 -1.671 -3.123 174 HG3 PRO 24 1HG PRO 24 10.749 -2.880 -2.029 175 HD2 PRO 24 2HD PRO 24 12.141 -0.533 -1.317 176 HD3 PRO 24 1HD PRO 24 11.621 -1.846 -0.241 177 H HIS 25 H HIS 25 16.520 -2.765 -2.652 178 HA HIS 25 HA HIS 25 16.264 -0.772 -4.876 179 HB2 HIS 25 2HB HIS 25 16.898 0.112 -2.517 180 HB3 HIS 25 1HB HIS 25 18.455 -0.657 -2.805 181 HD1 HIS 25 1HD HIS 25 18.605 2.301 -2.563 182 HD2 HIS 25 2HD HIS 25 17.739 0.483 -6.215 183 HE1 HIS 25 1HE HIS 25 19.195 3.984 -4.360 184 H TYR 26 H TYR 26 18.626 -2.920 -3.201 185 HA TYR 26 HA TYR 26 20.315 -4.313 -4.027 186 HB2 TYR 26 2HB TYR 26 18.067 -5.017 -5.230 187 HB3 TYR 26 1HB TYR 26 18.866 -4.369 -6.661 188 HD1 TYR 26 1HD TYR 26 20.917 -5.393 -7.541 189 HD2 TYR 26 2HD TYR 26 18.916 -7.007 -4.099 190 HE1 TYR 26 1HE TYR 26 22.242 -7.478 -7.747 191 HE2 TYR 26 2HE TYR 26 20.242 -9.092 -4.307 192 HH TYR 26 HH TYR 26 21.601 -10.169 -6.755 193 H LYS 27 H LYS 27 21.653 -2.269 -3.962 194 HA LYS 27 HA LYS 27 22.462 -1.369 -6.707 195 HB2 LYS 27 2HB LYS 27 22.067 -0.016 -4.078 196 HB3 LYS 27 1HB LYS 27 23.370 0.583 -5.101 197 HG2 LYS 27 2HG LYS 27 20.665 0.104 -6.313 198 HG3 LYS 27 1HG LYS 27 20.938 1.563 -5.364 199 HD2 LYS 27 2HD LYS 27 21.707 2.434 -7.317 200 HD3 LYS 27 1HD LYS 27 23.177 1.534 -6.944 201 HE2 LYS 27 2HE LYS 27 22.320 -0.401 -8.247 202 HE3 LYS 27 1HE LYS 27 20.870 0.534 -8.659 203 HZ1 LYS 27 3HZ LYS 27 22.609 0.724 -10.367 204 HZ2 LYS 27 1HZ LYS 27 23.662 1.398 -9.223 205 HZ3 LYS 27 2HZ LYS 27 22.241 2.224 -9.661 Start of MODEL 7 1 H1 MET 1 1HT MET 1 -22.269 -3.794 -2.428 2 H2 MET 1 2HT MET 1 -23.356 -4.914 -3.097 3 H3 MET 1 3HT MET 1 -23.072 -3.429 -3.875 4 HA MET 1 HA MET 1 -21.179 -5.712 -3.589 5 HB2 MET 1 2HB MET 1 -23.140 -5.459 -5.347 6 HB3 MET 1 1HB MET 1 -22.036 -4.315 -6.113 7 HG2 MET 1 2HG MET 1 -21.115 -7.076 -5.314 8 HG3 MET 1 1HG MET 1 -21.907 -6.790 -6.862 9 HE1 MET 1 2HE MET 1 -21.445 -4.630 -8.064 10 HE2 MET 1 3HE MET 1 -20.412 -5.643 -9.065 11 HE3 MET 1 1HE MET 1 -19.830 -4.073 -8.487 12 H ASP 2 H ASP 2 -19.151 -4.953 -3.128 13 HA ASP 2 HA ASP 2 -18.251 -2.392 -4.406 14 HB2 ASP 2 2HB ASP 2 -17.908 -3.385 -1.564 15 HB3 ASP 2 1HB ASP 2 -17.025 -2.010 -2.224 16 H ARG 3 H ARG 3 -16.914 -5.156 -2.523 17 HA ARG 3 HA ARG 3 -15.074 -6.542 -2.862 18 HB2 ARG 3 2HB ARG 3 -16.216 -5.990 -5.453 19 HB3 ARG 3 1HB ARG 3 -14.465 -6.104 -5.609 20 HG2 ARG 3 2HG ARG 3 -14.853 -8.339 -5.708 21 HG3 ARG 3 1HG ARG 3 -14.960 -8.217 -3.953 22 HD2 ARG 3 2HD ARG 3 -17.373 -8.053 -4.032 23 HD3 ARG 3 1HD ARG 3 -17.355 -7.915 -5.801 24 HE ARG 3 HE ARG 3 -16.745 -10.391 -4.267 25 HH11 ARG 3 1HH2 ARG 3 -18.895 -10.421 -6.285 26 HH12 ARG 3 2HH2 ARG 3 -18.115 -11.082 -7.681 27 HH21 ARG 3 1HH1 ARG 3 -14.899 -10.498 -6.479 28 HH22 ARG 3 2HH1 ARG 3 -15.833 -11.125 -7.793 29 H GLU 4 H GLU 4 -14.139 -4.095 -5.311 30 HA GLU 4 HA GLU 4 -11.486 -3.786 -4.204 31 HB2 GLU 4 2HB GLU 4 -13.177 -2.266 -6.208 32 HB3 GLU 4 1HB GLU 4 -11.521 -1.788 -5.831 33 HG2 GLU 4 2HG GLU 4 -10.624 -3.829 -6.644 34 HG3 GLU 4 1HG GLU 4 -12.200 -4.617 -6.642 35 H MET 5 H MET 5 -14.459 -1.807 -4.032 36 HA MET 5 HA MET 5 -13.317 0.319 -2.425 37 HB2 MET 5 2HB MET 5 -16.025 -0.599 -3.317 38 HB3 MET 5 1HB MET 5 -15.940 0.567 -1.999 39 HG2 MET 5 2HG MET 5 -15.933 2.050 -3.751 40 HG3 MET 5 1HG MET 5 -14.200 1.738 -3.683 41 HE1 MET 5 3HE MET 5 -17.210 1.853 -6.114 42 HE2 MET 5 1HE MET 5 -17.534 0.592 -4.911 43 HE3 MET 5 2HE MET 5 -17.328 0.165 -6.605 44 H ALA 6 H ALA 6 -14.676 -2.838 -1.651 45 HA ALA 6 HA ALA 6 -15.015 -2.183 1.216 46 HB1 ALA 6 1HB ALA 6 -16.017 -4.388 1.303 47 HB2 ALA 6 2HB ALA 6 -15.380 -4.782 -0.294 48 HB3 ALA 6 3HB ALA 6 -16.629 -3.548 -0.122 49 H ALA 7 H ALA 7 -12.559 -3.596 -0.845 50 HA ALA 7 HA ALA 7 -11.177 -4.763 1.544 51 HB1 ALA 7 1HB ALA 7 -9.965 -6.086 -0.214 52 HB2 ALA 7 2HB ALA 7 -10.995 -5.328 -1.427 53 HB3 ALA 7 3HB ALA 7 -11.706 -6.366 -0.191 54 H SER 8 H SER 8 -10.545 -2.825 -1.436 55 HA SER 8 HA SER 8 -7.805 -2.207 -0.633 56 HB2 SER 8 2HB SER 8 -8.914 -2.348 -2.993 57 HB3 SER 8 1HB SER 8 -9.436 -0.700 -2.673 58 HG SER 8 HG SER 8 -7.436 -0.642 -3.679 59 H ALA 9 H ALA 9 -8.248 -1.328 1.527 60 HA ALA 9 HA ALA 9 -8.825 1.590 1.457 61 HB1 ALA 9 1HB ALA 9 -10.296 -0.527 3.037 62 HB2 ALA 9 2HB ALA 9 -10.970 0.719 1.986 63 HB3 ALA 9 3HB ALA 9 -10.281 1.162 3.548 64 H GLY 10 H GLY 10 -8.303 -0.955 3.960 65 HA2 GLY 10 2HA GLY 10 -6.117 0.739 5.090 66 HA3 GLY 10 1HA GLY 10 -7.038 -0.455 6.002 67 H GLY 11 H GLY 11 -6.910 -2.692 4.409 68 HA2 GLY 11 2HA GLY 11 -4.391 -3.828 4.987 69 HA3 GLY 11 1HA GLY 11 -5.544 -4.501 3.837 70 H ALA 12 H ALA 12 -5.592 -2.571 1.851 71 HA ALA 12 HA ALA 12 -3.280 -3.139 0.282 72 HB1 ALA 12 1HB ALA 12 -5.202 -0.799 0.066 73 HB2 ALA 12 2HB ALA 12 -5.534 -2.424 -0.533 74 HB3 ALA 12 3HB ALA 12 -4.225 -1.475 -1.237 75 H VAL 13 H VAL 13 -4.108 -0.216 2.187 76 HA VAL 13 HA VAL 13 -1.790 1.339 1.529 77 HB VAL 13 HB VAL 13 -3.572 1.255 3.995 78 HG11 VAL 13 1HG1 VAL 13 -1.603 3.381 3.084 79 HG12 VAL 13 2HG1 VAL 13 -1.472 2.397 4.542 80 HG13 VAL 13 3HG1 VAL 13 -2.771 3.580 4.390 81 HG21 VAL 13 3HG2 VAL 13 -3.573 3.065 1.556 82 HG22 VAL 13 1HG2 VAL 13 -4.685 3.174 2.919 83 HG23 VAL 13 2HG2 VAL 13 -4.726 1.767 1.858 84 H PHE 14 H PHE 14 -2.394 -1.085 4.073 85 HA PHE 14 HA PHE 14 0.081 -0.809 5.502 86 HB2 PHE 14 2HB PHE 14 -2.166 -2.042 6.033 87 HB3 PHE 14 1HB PHE 14 -1.440 -3.390 5.160 88 HD1 PHE 14 1HD PHE 14 -1.078 -1.147 8.092 89 HD2 PHE 14 2HD PHE 14 0.372 -4.663 6.094 90 HE1 PHE 14 1HE PHE 14 0.230 -1.754 10.108 91 HE2 PHE 14 2HE PHE 14 1.680 -5.270 8.113 92 HZ PHE 14 HZ PHE 14 1.609 -3.815 10.119 93 H VAL 15 H VAL 15 -0.883 -2.902 2.761 94 HA VAL 15 HA VAL 15 1.512 -4.439 2.521 95 HB VAL 15 HB VAL 15 -0.546 -3.492 0.493 96 HG11 VAL 15 1HG1 VAL 15 1.426 -5.783 0.218 97 HG12 VAL 15 2HG1 VAL 15 1.587 -4.226 -0.599 98 HG13 VAL 15 3HG1 VAL 15 0.222 -5.278 -0.969 99 HG21 VAL 15 3HG2 VAL 15 -0.452 -6.315 1.351 100 HG22 VAL 15 1HG2 VAL 15 -1.836 -5.238 1.172 101 HG23 VAL 15 2HG2 VAL 15 -0.859 -5.182 2.639 102 H GLY 16 H GLY 16 0.618 -1.246 1.183 103 HA2 GLY 16 2HA GLY 16 2.958 -0.868 -0.434 104 HA3 GLY 16 1HA GLY 16 1.920 0.425 0.172 105 H LEU 17 H LEU 17 2.183 -0.014 2.943 106 HA LEU 17 HA LEU 17 4.697 1.312 3.517 107 HB2 LEU 17 2HB LEU 17 2.269 0.386 4.935 108 HB3 LEU 17 1HB LEU 17 3.726 0.405 5.927 109 HG LEU 17 HG LEU 17 4.084 2.784 4.871 110 HD11 LEU 17 1HD1 LEU 17 1.067 2.581 4.729 111 HD12 LEU 17 2HD1 LEU 17 2.102 2.433 3.309 112 HD13 LEU 17 3HD1 LEU 17 2.084 3.934 4.234 113 HD21 LEU 17 3HD2 LEU 17 1.923 2.270 6.943 114 HD22 LEU 17 1HD2 LEU 17 2.833 3.769 6.746 115 HD23 LEU 17 2HD2 LEU 17 3.655 2.300 7.271 116 H VAL 18 H VAL 18 3.510 -2.037 3.986 117 HA VAL 18 HA VAL 18 5.794 -3.086 5.367 118 HB VAL 18 HB VAL 18 3.694 -4.275 3.518 119 HG11 VAL 18 1HG1 VAL 18 5.926 -5.659 5.023 120 HG12 VAL 18 2HG1 VAL 18 5.505 -5.815 3.318 121 HG13 VAL 18 3HG1 VAL 18 4.446 -6.496 4.551 122 HG21 VAL 18 3HG2 VAL 18 4.073 -4.731 6.481 123 HG22 VAL 18 1HG2 VAL 18 2.619 -4.973 5.511 124 HG23 VAL 18 2HG2 VAL 18 3.173 -3.340 5.876 125 H LEU 19 H LEU 19 5.009 -2.892 1.880 126 HA LEU 19 HA LEU 19 7.420 -4.116 0.891 127 HB2 LEU 19 2HB LEU 19 5.167 -3.607 -0.266 128 HB3 LEU 19 1HB LEU 19 5.784 -1.969 -0.478 129 HG LEU 19 HG LEU 19 7.899 -3.227 -1.456 130 HD11 LEU 19 1HD1 LEU 19 7.322 -5.493 -1.083 131 HD12 LEU 19 2HD1 LEU 19 6.977 -5.238 -2.794 132 HD13 LEU 19 3HD1 LEU 19 5.660 -5.248 -1.622 133 HD21 LEU 19 3HD2 LEU 19 5.381 -3.168 -3.132 134 HD22 LEU 19 1HD2 LEU 19 7.036 -2.826 -3.637 135 HD23 LEU 19 2HD2 LEU 19 6.178 -1.686 -2.602 136 H LEU 20 H LEU 20 6.549 -0.738 1.665 137 HA LEU 20 HA LEU 20 8.878 0.562 0.639 138 HB2 LEU 20 2HB LEU 20 6.525 1.232 1.996 139 HB3 LEU 20 1HB LEU 20 7.799 1.705 3.113 140 HG LEU 20 HG LEU 20 7.299 3.584 1.670 141 HD11 LEU 20 1HD1 LEU 20 9.477 4.096 0.885 142 HD12 LEU 20 2HD1 LEU 20 9.851 2.402 0.565 143 HD13 LEU 20 3HD1 LEU 20 9.733 2.981 2.227 144 HD21 LEU 20 3HD2 LEU 20 7.141 3.482 -0.659 145 HD22 LEU 20 1HD2 LEU 20 6.454 1.927 -0.186 146 HD23 LEU 20 2HD2 LEU 20 8.118 2.017 -0.764 147 H THR 21 H THR 21 8.221 -0.868 3.856 148 HA THR 21 HA THR 21 10.712 -0.130 5.093 149 HB THR 21 HB THR 21 8.851 -2.483 5.598 150 HG1 THR 21 1HG THR 21 7.561 -0.928 6.153 151 HG21 THR 21 3HG2 THR 21 10.784 -1.094 7.475 152 HG22 THR 21 1HG2 THR 21 11.080 -2.655 6.709 153 HG23 THR 21 2HG2 THR 21 9.755 -2.474 7.857 154 H LEU 22 H LEU 22 9.721 -2.932 3.130 155 HA LEU 22 HA LEU 22 12.137 -4.484 3.510 156 HB2 LEU 22 2HB LEU 22 9.672 -4.519 1.870 157 HB3 LEU 22 1HB LEU 22 11.062 -5.275 1.100 158 HG LEU 22 HG LEU 22 9.789 -6.934 2.371 159 HD11 LEU 22 1HD1 LEU 22 12.403 -6.839 2.313 160 HD12 LEU 22 2HD1 LEU 22 11.605 -7.968 3.406 161 HD13 LEU 22 3HD1 LEU 22 12.250 -6.450 4.027 162 HD21 LEU 22 3HD2 LEU 22 9.650 -6.755 4.846 163 HD22 LEU 22 1HD2 LEU 22 8.789 -5.442 4.046 164 HD23 LEU 22 2HD2 LEU 22 10.374 -5.150 4.760 165 H SER 23 H SER 23 10.999 -2.364 0.841 166 HA SER 23 HA SER 23 13.860 -1.973 0.044 167 HB2 SER 23 2HB SER 23 13.005 -2.022 -2.330 168 HB3 SER 23 1HB SER 23 12.862 -3.556 -1.487 169 HG SER 23 HG SER 23 10.848 -1.609 -1.995 170 HA PRO 24 HA PRO 24 11.881 2.106 0.828 171 HB2 PRO 24 2HB PRO 24 14.172 3.328 1.677 172 HB3 PRO 24 1HB PRO 24 13.130 2.367 2.746 173 HG2 PRO 24 2HG PRO 24 15.665 1.592 1.391 174 HG3 PRO 24 1HG PRO 24 15.104 1.232 3.034 175 HD2 PRO 24 2HD PRO 24 14.974 -0.576 1.033 176 HD3 PRO 24 1HD PRO 24 13.786 -0.517 2.356 177 H HIS 25 H HIS 25 11.896 3.881 -0.570 178 HA HIS 25 HA HIS 25 13.875 3.816 -2.824 179 HB2 HIS 25 2HB HIS 25 10.935 4.378 -2.569 180 HB3 HIS 25 1HB HIS 25 11.832 5.149 -3.877 181 HD1 HIS 25 1HD HIS 25 13.150 3.488 -5.523 182 HD2 HIS 25 2HD HIS 25 10.373 1.673 -2.996 183 HE1 HIS 25 1HE HIS 25 12.723 1.176 -6.468 184 H TYR 26 H TYR 26 14.819 5.102 -0.636 185 HA TYR 26 HA TYR 26 14.226 8.018 -0.949 186 HB2 TYR 26 2HB TYR 26 15.507 6.300 1.187 187 HB3 TYR 26 1HB TYR 26 15.605 8.057 1.226 188 HD1 TYR 26 2HD TYR 26 13.578 9.435 1.533 189 HD2 TYR 26 1HD TYR 26 13.405 5.142 1.584 190 HE1 TYR 26 2HE TYR 26 11.315 9.538 2.537 191 HE2 TYR 26 1HE TYR 26 11.142 5.245 2.589 192 HH TYR 26 HH TYR 26 9.913 7.715 4.107 193 H LYS 27 H LYS 27 16.227 9.456 -0.779 194 HA LYS 27 HA LYS 27 18.722 8.225 -1.850 195 HB2 LYS 27 2HB LYS 27 17.016 9.055 -3.638 196 HB3 LYS 27 1HB LYS 27 17.512 10.671 -3.136 197 HG2 LYS 27 2HG LYS 27 19.817 8.938 -3.544 198 HG3 LYS 27 1HG LYS 27 18.819 9.030 -4.994 199 HD2 LYS 27 2HD LYS 27 20.186 10.881 -5.294 200 HD3 LYS 27 1HD LYS 27 18.815 11.617 -4.464 201 HE2 LYS 27 2HE LYS 27 19.982 11.881 -2.470 202 HE3 LYS 27 1HE LYS 27 21.065 10.516 -2.800 203 HZ1 LYS 27 3HZ LYS 27 21.053 13.078 -4.313 204 HZ2 LYS 27 1HZ LYS 27 22.110 11.775 -4.559 205 HZ3 LYS 27 2HZ LYS 27 22.178 12.662 -3.112 Start of MODEL 8 1 H1 MET 1 1HT MET 1 -11.249 6.809 -12.332 2 H2 MET 1 2HT MET 1 -12.677 6.956 -11.423 3 H3 MET 1 3HT MET 1 -12.412 5.579 -12.380 4 HA MET 1 HA MET 1 -10.768 4.734 -10.966 5 HB2 MET 1 2HB MET 1 -9.626 6.101 -9.355 6 HB3 MET 1 1HB MET 1 -9.694 7.031 -10.847 7 HG2 MET 1 2HG MET 1 -11.883 8.044 -9.835 8 HG3 MET 1 1HG MET 1 -11.267 7.420 -8.306 9 HE1 MET 1 2HE MET 1 -8.273 9.301 -7.386 10 HE2 MET 1 3HE MET 1 -9.099 7.746 -7.404 11 HE3 MET 1 1HE MET 1 -9.917 9.184 -6.768 12 H ASP 2 H ASP 2 -10.984 4.173 -8.529 13 HA ASP 2 HA ASP 2 -13.893 4.089 -7.849 14 HB2 ASP 2 2HB ASP 2 -11.536 2.418 -6.912 15 HB3 ASP 2 1HB ASP 2 -13.236 2.095 -6.571 16 H ARG 3 H ARG 3 -13.763 3.567 -5.124 17 HA ARG 3 HA ARG 3 -12.045 5.505 -3.751 18 HB2 ARG 3 2HB ARG 3 -14.017 6.716 -4.969 19 HB3 ARG 3 1HB ARG 3 -15.012 6.051 -3.674 20 HG2 ARG 3 2HG ARG 3 -14.028 7.361 -2.050 21 HG3 ARG 3 1HG ARG 3 -12.480 7.427 -2.891 22 HD2 ARG 3 2HD ARG 3 -13.296 9.615 -3.189 23 HD3 ARG 3 1HD ARG 3 -13.828 8.823 -4.684 24 HE ARG 3 HE ARG 3 -15.639 8.959 -2.303 25 HH11 ARG 3 1HH1 ARG 3 -16.523 7.548 -4.793 26 HH12 ARG 3 2HH1 ARG 3 -17.436 8.770 -5.608 27 HH21 ARG 3 1HH2 ARG 3 -16.121 11.378 -3.706 28 HH22 ARG 3 2HH2 ARG 3 -17.208 10.960 -4.986 29 H GLU 4 H GLU 4 -11.729 4.767 -1.706 30 HA GLU 4 HA GLU 4 -11.887 3.463 0.228 31 HB2 GLU 4 2HB GLU 4 -14.585 4.598 -0.331 32 HB3 GLU 4 1HB GLU 4 -14.464 3.394 0.952 33 HG2 GLU 4 2HG GLU 4 -12.911 4.686 2.187 34 HG3 GLU 4 1HG GLU 4 -12.555 5.727 0.809 35 H MET 5 H MET 5 -11.586 1.885 -1.956 36 HA MET 5 HA MET 5 -12.624 -0.675 -1.106 37 HB2 MET 5 2HB MET 5 -14.055 -1.122 -3.075 38 HB3 MET 5 1HB MET 5 -14.665 0.223 -2.123 39 HG2 MET 5 2HG MET 5 -14.764 1.315 -4.109 40 HG3 MET 5 1HG MET 5 -13.024 1.509 -3.925 41 HE1 MET 5 3HE MET 5 -15.483 1.080 -6.029 42 HE2 MET 5 1HE MET 5 -15.864 -0.651 -5.972 43 HE3 MET 5 2HE MET 5 -15.021 0.027 -7.361 44 H ALA 6 H ALA 6 -11.115 1.215 -3.721 45 HA ALA 6 HA ALA 6 -9.910 -0.970 -5.143 46 HB1 ALA 6 1HB ALA 6 -9.443 2.004 -4.896 47 HB2 ALA 6 2HB ALA 6 -10.170 1.118 -6.235 48 HB3 ALA 6 3HB ALA 6 -8.435 1.003 -5.941 49 H ALA 7 H ALA 7 -8.315 1.430 -2.952 50 HA ALA 7 HA ALA 7 -6.699 -0.691 -1.698 51 HB1 ALA 7 1HB ALA 7 -4.597 0.645 -2.571 52 HB2 ALA 7 2HB ALA 7 -5.709 1.133 -3.850 53 HB3 ALA 7 3HB ALA 7 -5.366 -0.576 -3.585 54 H SER 8 H SER 8 -8.463 1.600 -0.786 55 HA SER 8 HA SER 8 -6.432 2.959 0.955 56 HB2 SER 8 2HB SER 8 -7.881 4.980 0.772 57 HB3 SER 8 1HB SER 8 -7.244 4.467 -0.785 58 HG SER 8 HG SER 8 -9.771 4.792 -0.075 59 H ALA 9 H ALA 9 -7.968 0.549 1.581 60 HA ALA 9 HA ALA 9 -9.983 1.503 3.555 61 HB1 ALA 9 1HB ALA 9 -10.592 -0.293 2.006 62 HB2 ALA 9 2HB ALA 9 -10.531 -0.922 3.653 63 HB3 ALA 9 3HB ALA 9 -9.205 -1.245 2.538 64 H GLY 10 H GLY 10 -6.703 1.220 3.630 65 HA2 GLY 10 2HA GLY 10 -5.457 1.390 5.694 66 HA3 GLY 10 1HA GLY 10 -6.709 0.442 6.502 67 H GLY 11 H GLY 11 -6.927 -1.633 4.526 68 HA2 GLY 11 2HA GLY 11 -4.710 -3.326 5.331 69 HA3 GLY 11 1HA GLY 11 -6.005 -3.777 4.219 70 H ALA 12 H ALA 12 -5.803 -1.988 2.183 71 HA ALA 12 HA ALA 12 -3.578 -2.928 0.632 72 HB1 ALA 12 1HB ALA 12 -5.560 -2.200 -0.471 73 HB2 ALA 12 2HB ALA 12 -4.346 -0.983 -0.867 74 HB3 ALA 12 3HB ALA 12 -5.551 -0.652 0.376 75 H VAL 13 H VAL 13 -4.106 0.123 2.427 76 HA VAL 13 HA VAL 13 -1.718 1.486 1.620 77 HB VAL 13 HB VAL 13 -3.343 1.595 4.192 78 HG11 VAL 13 1HG1 VAL 13 -2.389 3.932 4.337 79 HG12 VAL 13 2HG1 VAL 13 -1.258 3.484 3.060 80 HG13 VAL 13 3HG1 VAL 13 -1.212 2.647 4.613 81 HG21 VAL 13 3HG2 VAL 13 -3.420 3.343 1.708 82 HG22 VAL 13 1HG2 VAL 13 -4.446 3.512 3.131 83 HG23 VAL 13 2HG2 VAL 13 -4.604 2.096 2.095 84 H PHE 14 H PHE 14 -2.371 -0.819 4.262 85 HA PHE 14 HA PHE 14 0.195 -0.684 5.553 86 HB2 PHE 14 2HB PHE 14 -2.040 -1.669 6.348 87 HB3 PHE 14 1HB PHE 14 -1.644 -3.084 5.374 88 HD1 PHE 14 1HD PHE 14 -0.668 -1.057 8.308 89 HD2 PHE 14 2HD PHE 14 0.135 -4.601 6.017 90 HE1 PHE 14 1HE PHE 14 0.765 -1.919 10.141 91 HE2 PHE 14 2HE PHE 14 1.567 -5.462 7.850 92 HZ PHE 14 HZ PHE 14 1.882 -4.121 9.912 93 H VAL 15 H VAL 15 -1.067 -2.746 2.911 94 HA VAL 15 HA VAL 15 1.159 -4.515 2.634 95 HB VAL 15 HB VAL 15 -0.807 -3.407 0.594 96 HG11 VAL 15 1HG1 VAL 15 0.959 -4.390 -0.665 97 HG12 VAL 15 2HG1 VAL 15 -0.292 -5.629 -0.571 98 HG13 VAL 15 3HG1 VAL 15 1.127 -5.729 0.471 99 HG21 VAL 15 3HG2 VAL 15 -2.329 -4.831 1.466 100 HG22 VAL 15 1HG2 VAL 15 -1.235 -5.049 2.830 101 HG23 VAL 15 2HG2 VAL 15 -1.177 -6.164 1.466 102 H GLY 16 H GLY 16 0.492 -1.344 1.102 103 HA2 GLY 16 2HA GLY 16 2.869 -1.239 -0.497 104 HA3 GLY 16 1HA GLY 16 1.913 0.160 -0.007 105 H LEU 17 H LEU 17 2.168 -0.236 2.846 106 HA LEU 17 HA LEU 17 4.663 1.120 3.341 107 HB2 LEU 17 2HB LEU 17 2.368 1.042 4.630 108 HB3 LEU 17 1HB LEU 17 3.101 -0.332 5.460 109 HG LEU 17 HG LEU 17 5.155 1.280 5.739 110 HD11 LEU 17 1HD1 LEU 17 4.645 3.611 5.784 111 HD12 LEU 17 2HD1 LEU 17 2.918 3.311 5.595 112 HD13 LEU 17 3HD1 LEU 17 4.017 3.016 4.247 113 HD21 LEU 17 3HD2 LEU 17 3.955 2.273 7.810 114 HD22 LEU 17 1HD2 LEU 17 4.050 0.516 7.689 115 HD23 LEU 17 2HD2 LEU 17 2.553 1.350 7.273 116 H VAL 18 H VAL 18 3.633 -2.284 3.766 117 HA VAL 18 HA VAL 18 5.962 -3.240 5.135 118 HB VAL 18 HB VAL 18 3.912 -4.491 3.278 119 HG11 VAL 18 1HG1 VAL 18 6.226 -5.802 4.726 120 HG12 VAL 18 2HG1 VAL 18 5.789 -5.944 3.023 121 HG13 VAL 18 3HG1 VAL 18 4.779 -6.696 4.256 122 HG21 VAL 18 3HG2 VAL 18 4.396 -4.721 6.268 123 HG22 VAL 18 1HG2 VAL 18 3.071 -5.463 5.374 124 HG23 VAL 18 2HG2 VAL 18 3.165 -3.709 5.516 125 H LEU 19 H LEU 19 5.231 -2.860 1.670 126 HA LEU 19 HA LEU 19 7.649 -4.038 0.631 127 HB2 LEU 19 2HB LEU 19 5.333 -2.469 -0.298 128 HB3 LEU 19 1HB LEU 19 6.804 -2.157 -1.215 129 HG LEU 19 HG LEU 19 6.998 -4.803 -1.185 130 HD11 LEU 19 1HD1 LEU 19 4.747 -5.841 -1.336 131 HD12 LEU 19 2HD1 LEU 19 4.020 -4.301 -0.874 132 HD13 LEU 19 3HD1 LEU 19 5.052 -5.167 0.265 133 HD21 LEU 19 3HD2 LEU 19 6.840 -3.542 -3.241 134 HD22 LEU 19 1HD2 LEU 19 5.144 -3.164 -2.941 135 HD23 LEU 19 2HD2 LEU 19 5.626 -4.818 -3.316 136 H LEU 20 H LEU 20 6.757 -0.713 1.565 137 HA LEU 20 HA LEU 20 9.231 0.525 0.678 138 HB2 LEU 20 2HB LEU 20 6.766 1.409 1.325 139 HB3 LEU 20 1HB LEU 20 7.579 1.705 2.862 140 HG LEU 20 HG LEU 20 9.446 2.779 1.359 141 HD11 LEU 20 1HD1 LEU 20 8.599 3.774 -0.698 142 HD12 LEU 20 2HD1 LEU 20 7.004 3.075 -0.417 143 HD13 LEU 20 3HD1 LEU 20 8.376 2.027 -0.773 144 HD21 LEU 20 3HD2 LEU 20 6.801 3.892 2.229 145 HD22 LEU 20 1HD2 LEU 20 7.866 4.918 1.268 146 HD23 LEU 20 2HD2 LEU 20 8.421 4.272 2.810 147 H THR 21 H THR 21 8.054 -0.759 3.800 148 HA THR 21 HA THR 21 10.272 0.125 5.413 149 HB THR 21 HB THR 21 8.300 -2.171 5.671 150 HG1 THR 21 1HG THR 21 7.163 -0.368 5.891 151 HG21 THR 21 3HG2 THR 21 10.446 -1.172 7.515 152 HG22 THR 21 1HG2 THR 21 9.935 -2.828 7.189 153 HG23 THR 21 2HG2 THR 21 8.936 -1.777 8.192 154 H LEU 22 H LEU 22 9.893 -2.587 3.195 155 HA LEU 22 HA LEU 22 11.951 -4.317 4.171 156 HB2 LEU 22 2HB LEU 22 10.045 -4.601 2.410 157 HB3 LEU 22 1HB LEU 22 11.211 -3.947 1.269 158 HG LEU 22 HG LEU 22 11.128 -6.464 1.380 159 HD11 LEU 22 1HD1 LEU 22 13.851 -5.577 2.270 160 HD12 LEU 22 2HD1 LEU 22 13.176 -4.937 0.772 161 HD13 LEU 22 3HD1 LEU 22 13.400 -6.675 0.966 162 HD21 LEU 22 3HD2 LEU 22 12.566 -6.119 4.025 163 HD22 LEU 22 1HD2 LEU 22 12.036 -7.623 3.272 164 HD23 LEU 22 2HD2 LEU 22 10.846 -6.493 3.916 165 H SER 23 H SER 23 12.091 -1.997 1.433 166 HA SER 23 HA SER 23 13.820 -0.692 0.576 167 HB2 SER 23 2HB SER 23 14.198 -0.783 3.356 168 HB3 SER 23 1HB SER 23 15.786 -1.100 2.667 169 HG SER 23 HG SER 23 14.092 1.132 2.390 170 HA PRO 24 HA PRO 24 16.474 -3.568 -1.451 171 HB2 PRO 24 2HB PRO 24 18.284 -1.847 -2.556 172 HB3 PRO 24 1HB PRO 24 16.621 -2.016 -3.157 173 HG2 PRO 24 2HG PRO 24 17.787 0.077 -1.400 174 HG3 PRO 24 1HG PRO 24 16.607 0.230 -2.712 175 HD2 PRO 24 2HD PRO 24 15.921 0.258 -0.086 176 HD3 PRO 24 1HD PRO 24 14.842 -0.318 -1.376 177 H HIS 25 H HIS 25 18.639 -4.474 -1.304 178 HA HIS 25 HA HIS 25 20.558 -5.167 -0.146 179 HB2 HIS 25 2HB HIS 25 20.917 -2.658 -0.983 180 HB3 HIS 25 1HB HIS 25 20.979 -2.340 0.750 181 HD1 HIS 25 1HD HIS 25 22.632 -4.252 2.047 182 HD2 HIS 25 2HD HIS 25 23.406 -3.331 -1.945 183 HE1 HIS 25 1HE HIS 25 25.017 -4.970 1.596 184 H TYR 26 H TYR 26 18.321 -5.675 1.345 185 HA TYR 26 HA TYR 26 18.903 -4.678 4.097 186 HB2 TYR 26 2HB TYR 26 16.642 -4.868 4.515 187 HB3 TYR 26 1HB TYR 26 16.617 -4.535 2.794 188 HD1 TYR 26 1HD TYR 26 16.600 -6.655 1.209 189 HD2 TYR 26 2HD TYR 26 15.534 -6.728 5.370 190 HE1 TYR 26 1HE TYR 26 15.345 -8.761 0.851 191 HE2 TYR 26 2HE TYR 26 14.279 -8.838 5.011 192 HH TYR 26 HH TYR 26 13.120 -9.881 2.500 193 H LYS 27 H LYS 27 19.128 -7.569 2.158 194 HA LYS 27 HA LYS 27 20.152 -9.044 4.510 195 HB2 LYS 27 2HB LYS 27 17.535 -9.273 3.933 196 HB3 LYS 27 1HB LYS 27 18.162 -10.473 2.807 197 HG2 LYS 27 2HG LYS 27 17.638 -11.579 4.908 198 HG3 LYS 27 1HG LYS 27 19.386 -11.556 4.695 199 HD2 LYS 27 2HD LYS 27 18.955 -10.938 6.975 200 HD3 LYS 27 1HD LYS 27 19.440 -9.469 6.134 201 HE2 LYS 27 2HE LYS 27 16.931 -9.019 5.778 202 HE3 LYS 27 1HE LYS 27 16.650 -10.291 6.984 203 HZ1 LYS 27 3HZ LYS 27 18.148 -9.120 8.503 204 HZ2 LYS 27 1HZ LYS 27 16.831 -8.146 8.066 205 HZ3 LYS 27 2HZ LYS 27 18.352 -7.879 7.355 Start of MODEL 9 1 H1 MET 1 1HT MET 1 -8.907 3.582 -16.730 2 H2 MET 1 2HT MET 1 -9.564 2.017 -16.804 3 H3 MET 1 3HT MET 1 -7.898 2.234 -16.558 4 HA MET 1 HA MET 1 -8.414 3.371 -14.413 5 HB2 MET 1 2HB MET 1 -10.897 3.534 -15.557 6 HB3 MET 1 1HB MET 1 -11.121 2.159 -14.477 7 HG2 MET 1 2HG MET 1 -9.971 3.683 -12.693 8 HG3 MET 1 1HG MET 1 -10.397 4.998 -13.789 9 HE1 MET 1 2HE MET 1 -12.627 5.647 -14.536 10 HE2 MET 1 3HE MET 1 -12.345 6.362 -12.952 11 HE3 MET 1 1HE MET 1 -13.933 5.688 -13.357 12 H ASP 2 H ASP 2 -7.255 1.922 -13.207 13 HA ASP 2 HA ASP 2 -8.214 -0.916 -13.039 14 HB2 ASP 2 2HB ASP 2 -5.390 0.144 -13.390 15 HB3 ASP 2 1HB ASP 2 -5.787 -1.545 -13.079 16 H ARG 3 H ARG 3 -7.577 -1.988 -11.012 17 HA ARG 3 HA ARG 3 -7.734 -0.250 -8.676 18 HB2 ARG 3 2HB ARG 3 -7.545 -3.193 -9.242 19 HB3 ARG 3 1HB ARG 3 -7.270 -2.624 -7.596 20 HG2 ARG 3 2HG ARG 3 -9.462 -1.373 -7.755 21 HG3 ARG 3 1HG ARG 3 -9.754 -2.206 -9.282 22 HD2 ARG 3 2HD ARG 3 -9.183 -3.670 -6.680 23 HD3 ARG 3 1HD ARG 3 -10.820 -3.334 -7.276 24 HE ARG 3 HE ARG 3 -8.843 -5.121 -8.603 25 HH11 ARG 3 1HH2 ARG 3 -11.497 -6.157 -7.756 26 HH12 ARG 3 2HH2 ARG 3 -12.416 -6.101 -9.221 27 HH21 ARG 3 1HH1 ARG 3 -10.200 -3.933 -10.821 28 HH22 ARG 3 2HH1 ARG 3 -11.674 -4.829 -10.976 29 H GLU 4 H GLU 4 -5.210 -2.502 -9.866 30 HA GLU 4 HA GLU 4 -2.919 -2.672 -9.425 31 HB2 GLU 4 2HB GLU 4 -3.411 0.311 -9.452 32 HB3 GLU 4 1HB GLU 4 -1.805 -0.412 -9.506 33 HG2 GLU 4 2HG GLU 4 -3.919 -1.258 -11.482 34 HG3 GLU 4 1HG GLU 4 -2.970 0.200 -11.759 35 H MET 5 H MET 5 -4.560 -2.904 -7.029 36 HA MET 5 HA MET 5 -4.392 -2.918 -4.691 37 HB2 MET 5 2HB MET 5 -1.555 -2.897 -5.704 38 HB3 MET 5 1HB MET 5 -1.898 -2.979 -3.978 39 HG2 MET 5 2HG MET 5 -3.231 -5.004 -4.300 40 HG3 MET 5 1HG MET 5 -2.999 -4.905 -6.046 41 HE1 MET 5 3HE MET 5 -2.406 -7.539 -4.889 42 HE2 MET 5 1HE MET 5 -0.785 -7.919 -5.497 43 HE3 MET 5 2HE MET 5 -1.953 -7.106 -6.535 44 H ALA 6 H ALA 6 -5.122 -0.399 -5.530 45 HA ALA 6 HA ALA 6 -3.346 1.629 -4.306 46 HB1 ALA 6 1HB ALA 6 -4.715 1.813 -6.483 47 HB2 ALA 6 2HB ALA 6 -4.792 3.180 -5.372 48 HB3 ALA 6 3HB ALA 6 -6.120 2.020 -5.435 49 H ALA 7 H ALA 7 -6.591 0.217 -3.714 50 HA ALA 7 HA ALA 7 -6.580 1.516 -1.003 51 HB1 ALA 7 1HB ALA 7 -8.357 2.414 -2.279 52 HB2 ALA 7 2HB ALA 7 -9.125 1.169 -1.294 53 HB3 ALA 7 3HB ALA 7 -8.753 0.848 -2.988 54 H SER 8 H SER 8 -8.044 -1.329 -2.652 55 HA SER 8 HA SER 8 -8.501 -3.501 -1.888 56 HB2 SER 8 2HB SER 8 -5.877 -3.022 -0.447 57 HB3 SER 8 1HB SER 8 -6.551 -4.580 -0.896 58 HG SER 8 HG SER 8 -4.916 -3.338 -2.325 59 H ALA 9 H ALA 9 -9.823 -1.508 -0.361 60 HA ALA 9 HA ALA 9 -10.925 -1.133 1.656 61 HB1 ALA 9 1HB ALA 9 -10.379 -4.102 1.900 62 HB2 ALA 9 2HB ALA 9 -11.701 -3.382 0.980 63 HB3 ALA 9 3HB ALA 9 -11.654 -3.216 2.734 64 H GLY 10 H GLY 10 -8.530 -0.112 2.049 65 HA2 GLY 10 2HA GLY 10 -7.080 0.545 3.770 66 HA3 GLY 10 1HA GLY 10 -7.995 -0.489 4.861 67 H GLY 11 H GLY 11 -6.789 -2.129 2.072 68 HA2 GLY 11 2HA GLY 11 -4.722 -3.444 3.762 69 HA3 GLY 11 1HA GLY 11 -5.479 -4.156 2.338 70 H ALA 12 H ALA 12 -5.179 -1.655 0.741 71 HA ALA 12 HA ALA 12 -2.616 -2.187 -0.450 72 HB1 ALA 12 1HB ALA 12 -4.518 0.165 -0.612 73 HB2 ALA 12 2HB ALA 12 -4.457 -1.225 -1.697 74 HB3 ALA 12 3HB ALA 12 -3.135 -0.056 -1.681 75 H VAL 13 H VAL 13 -3.687 0.329 1.851 76 HA VAL 13 HA VAL 13 -1.259 1.863 1.886 77 HB VAL 13 HB VAL 13 -3.461 1.413 3.936 78 HG11 VAL 13 1HG1 VAL 13 -1.440 2.283 5.046 79 HG12 VAL 13 2HG1 VAL 13 -2.686 3.528 4.964 80 HG13 VAL 13 3HG1 VAL 13 -1.325 3.568 3.844 81 HG21 VAL 13 3HG2 VAL 13 -4.212 2.407 1.807 82 HG22 VAL 13 1HG2 VAL 13 -2.951 3.634 1.927 83 HG23 VAL 13 2HG2 VAL 13 -4.268 3.605 3.098 84 H PHE 14 H PHE 14 -2.407 -0.826 3.969 85 HA PHE 14 HA PHE 14 -0.063 -0.962 5.637 86 HB2 PHE 14 2HB PHE 14 -2.364 -1.913 6.082 87 HB3 PHE 14 1HB PHE 14 -2.013 -3.168 4.894 88 HD1 PHE 14 2HD PHE 14 -0.940 -1.725 8.150 89 HD2 PHE 14 1HD PHE 14 -0.590 -5.020 5.415 90 HE1 PHE 14 2HE PHE 14 0.270 -3.031 9.876 91 HE2 PHE 14 1HE PHE 14 0.619 -6.325 7.142 92 HZ PHE 14 HZ PHE 14 1.049 -5.330 9.372 93 H VAL 15 H VAL 15 -1.064 -2.903 2.784 94 HA VAL 15 HA VAL 15 1.261 -4.549 2.593 95 HB VAL 15 HB VAL 15 -0.799 -3.534 0.616 96 HG11 VAL 15 1HG1 VAL 15 1.184 -4.020 -0.714 97 HG12 VAL 15 2HG1 VAL 15 0.017 -5.322 -0.932 98 HG13 VAL 15 3HG1 VAL 15 1.411 -5.555 0.123 99 HG21 VAL 15 3HG2 VAL 15 -1.352 -5.174 2.505 100 HG22 VAL 15 1HG2 VAL 15 -0.325 -6.333 1.661 101 HG23 VAL 15 2HG2 VAL 15 -1.770 -5.698 0.875 102 H GLY 16 H GLY 16 0.580 -1.303 1.256 103 HA2 GLY 16 2HA GLY 16 2.939 -1.040 -0.333 104 HA3 GLY 16 1HA GLY 16 1.998 0.305 0.317 105 H LEU 17 H LEU 17 2.268 -0.169 3.071 106 HA LEU 17 HA LEU 17 4.806 1.015 3.679 107 HB2 LEU 17 2HB LEU 17 2.394 0.110 5.044 108 HB3 LEU 17 1HB LEU 17 3.830 -0.261 5.993 109 HG LEU 17 HG LEU 17 4.462 2.250 5.256 110 HD11 LEU 17 1HD1 LEU 17 1.437 2.257 5.497 111 HD12 LEU 17 2HD1 LEU 17 2.324 2.497 3.992 112 HD13 LEU 17 3HD1 LEU 17 2.478 3.667 5.301 113 HD21 LEU 17 3HD2 LEU 17 3.421 2.957 7.460 114 HD22 LEU 17 1HD2 LEU 17 4.443 1.523 7.557 115 HD23 LEU 17 2HD2 LEU 17 2.686 1.356 7.549 116 H VAL 18 H VAL 18 3.658 -2.378 3.959 117 HA VAL 18 HA VAL 18 6.006 -3.487 5.157 118 HB VAL 18 HB VAL 18 3.964 -4.658 3.232 119 HG11 VAL 18 1HG1 VAL 18 6.161 -5.960 3.524 120 HG12 VAL 18 2HG1 VAL 18 4.672 -6.829 3.887 121 HG13 VAL 18 3HG1 VAL 18 5.665 -6.198 5.200 122 HG21 VAL 18 3HG2 VAL 18 2.556 -4.776 4.996 123 HG22 VAL 18 1HG2 VAL 18 3.667 -3.710 5.856 124 HG23 VAL 18 2HG2 VAL 18 3.808 -5.459 6.032 125 H LEU 19 H LEU 19 5.152 -2.924 1.744 126 HA LEU 19 HA LEU 19 7.535 -4.138 0.612 127 HB2 LEU 19 2HB LEU 19 5.232 -3.707 -0.429 128 HB3 LEU 19 1HB LEU 19 5.735 -2.028 -0.605 129 HG LEU 19 HG LEU 19 7.631 -4.101 -1.603 130 HD11 LEU 19 1HD1 LEU 19 5.104 -3.345 -3.103 131 HD12 LEU 19 2HD1 LEU 19 5.410 -4.920 -2.370 132 HD13 LEU 19 3HD1 LEU 19 6.413 -4.361 -3.707 133 HD21 LEU 19 3HD2 LEU 19 6.633 -1.565 -2.925 134 HD22 LEU 19 1HD2 LEU 19 8.157 -2.408 -3.200 135 HD23 LEU 19 2HD2 LEU 19 7.892 -1.538 -1.690 136 H LEU 20 H LEU 20 6.614 -0.809 1.508 137 HA LEU 20 HA LEU 20 9.041 0.424 0.440 138 HB2 LEU 20 2HB LEU 20 6.485 1.192 1.352 139 HB3 LEU 20 1HB LEU 20 7.626 1.968 2.445 140 HG LEU 20 HG LEU 20 7.904 2.082 -0.569 141 HD11 LEU 20 1HD1 LEU 20 6.543 4.025 1.322 142 HD12 LEU 20 2HD1 LEU 20 5.776 3.110 0.024 143 HD13 LEU 20 3HD1 LEU 20 6.941 4.378 -0.360 144 HD21 LEU 20 3HD2 LEU 20 9.022 3.832 1.650 145 HD22 LEU 20 1HD2 LEU 20 9.381 3.971 -0.070 146 HD23 LEU 20 2HD2 LEU 20 9.925 2.557 0.833 147 H THR 21 H THR 21 7.931 -0.606 3.674 148 HA THR 21 HA THR 21 10.193 0.513 5.111 149 HB THR 21 HB THR 21 8.180 -1.624 5.868 150 HG1 THR 21 1HG THR 21 6.989 0.128 5.524 151 HG21 THR 21 3HG2 THR 21 8.770 -0.338 8.168 152 HG22 THR 21 1HG2 THR 21 10.328 -0.206 7.349 153 HG23 THR 21 2HG2 THR 21 9.615 -1.792 7.638 154 H LEU 22 H LEU 22 10.109 -2.183 3.027 155 HA LEU 22 HA LEU 22 11.579 -4.159 4.396 156 HB2 LEU 22 2HB LEU 22 11.775 -5.149 2.318 157 HB3 LEU 22 1HB LEU 22 10.413 -4.081 2.072 158 HG LEU 22 HG LEU 22 11.760 -3.897 0.137 159 HD11 LEU 22 1HD1 LEU 22 12.998 -1.505 1.281 160 HD12 LEU 22 2HD1 LEU 22 11.278 -1.644 1.631 161 HD13 LEU 22 3HD1 LEU 22 11.841 -1.667 -0.035 162 HD21 LEU 22 3HD2 LEU 22 13.847 -4.721 1.697 163 HD22 LEU 22 1HD2 LEU 22 14.284 -3.040 1.389 164 HD23 LEU 22 2HD2 LEU 22 14.004 -4.141 0.041 165 H SER 23 H SER 23 12.736 -1.042 3.371 166 HA SER 23 HA SER 23 15.497 -1.520 2.951 167 HB2 SER 23 2HB SER 23 14.587 0.907 4.445 168 HB3 SER 23 1HB SER 23 15.677 0.785 3.074 169 HG SER 23 HG SER 23 12.993 1.199 3.148 170 HA PRO 24 HA PRO 24 16.633 -2.813 7.085 171 HB2 PRO 24 2HB PRO 24 19.344 -2.790 6.729 172 HB3 PRO 24 1HB PRO 24 18.298 -4.087 6.113 173 HG2 PRO 24 2HG PRO 24 19.455 -1.754 4.668 174 HG3 PRO 24 1HG PRO 24 19.282 -3.437 4.141 175 HD2 PRO 24 2HD PRO 24 17.603 -1.485 3.330 176 HD3 PRO 24 1HD PRO 24 17.084 -3.173 3.543 177 H HIS 25 H HIS 25 17.733 -1.821 8.940 178 HA HIS 25 HA HIS 25 18.033 1.143 8.663 179 HB2 HIS 25 2HB HIS 25 17.300 -0.733 10.925 180 HB3 HIS 25 1HB HIS 25 17.688 0.963 11.210 181 HD1 HIS 25 1HD HIS 25 15.192 -1.213 9.372 182 HD2 HIS 25 2HD HIS 25 15.654 2.771 10.507 183 HE1 HIS 25 1HE HIS 25 13.000 -0.062 8.847 184 H TYR 26 H TYR 26 20.232 -0.176 7.755 185 HA TYR 26 HA TYR 26 22.197 -0.446 9.962 186 HB2 TYR 26 2HB TYR 26 23.476 -1.626 8.396 187 HB3 TYR 26 1HB TYR 26 21.839 -1.982 7.866 188 HD1 TYR 26 1HD TYR 26 20.903 -0.879 5.841 189 HD2 TYR 26 2HD TYR 26 24.960 -0.219 7.101 190 HE1 TYR 26 1HE TYR 26 21.438 0.091 3.623 191 HE2 TYR 26 2HE TYR 26 25.491 0.748 4.885 192 HH TYR 26 HH TYR 26 24.099 1.924 3.015 193 H LYS 27 H LYS 27 24.386 0.642 9.574 194 HA LYS 27 HA LYS 27 24.025 3.404 8.450 195 HB2 LYS 27 2HB LYS 27 25.368 2.374 10.959 196 HB3 LYS 27 1HB LYS 27 25.694 3.983 10.317 197 HG2 LYS 27 2HG LYS 27 23.915 4.630 11.570 198 HG3 LYS 27 1HG LYS 27 22.948 3.928 10.275 199 HD2 LYS 27 2HD LYS 27 22.062 2.825 12.115 200 HD3 LYS 27 1HD LYS 27 23.317 1.687 11.627 201 HE2 LYS 27 2HE LYS 27 24.879 2.845 13.262 202 HE3 LYS 27 1HE LYS 27 23.466 3.731 13.867 203 HZ1 LYS 27 3HZ LYS 27 23.760 0.773 13.735 204 HZ2 LYS 27 1HZ LYS 27 22.342 1.581 14.196 205 HZ3 LYS 27 2HZ LYS 27 23.745 1.723 15.143 Start of MODEL 10 1 H1 MET 1 1HT MET 1 2.814 -21.162 4.047 2 H2 MET 1 2HT MET 1 1.328 -20.757 4.763 3 H3 MET 1 3HT MET 1 2.753 -20.730 5.685 4 HA MET 1 HA MET 1 2.242 -18.476 5.193 5 HB2 MET 1 2HB MET 1 4.496 -19.892 3.868 6 HB3 MET 1 1HB MET 1 4.219 -18.234 3.339 7 HG2 MET 1 2HG MET 1 4.305 -18.906 6.275 8 HG3 MET 1 1HG MET 1 5.792 -18.625 5.371 9 HE1 MET 1 2HE MET 1 6.008 -15.198 6.698 10 HE2 MET 1 3HE MET 1 6.850 -16.359 5.679 11 HE3 MET 1 1HE MET 1 6.158 -16.870 7.229 12 H ASP 2 H ASP 2 0.401 -17.778 4.167 13 HA ASP 2 HA ASP 2 0.436 -17.545 1.226 14 HB2 ASP 2 2HB ASP 2 -1.920 -18.600 1.180 15 HB3 ASP 2 1HB ASP 2 -0.546 -19.686 1.343 16 H ARG 3 H ARG 3 -1.563 -17.059 4.172 17 HA ARG 3 HA ARG 3 -2.857 -15.260 4.894 18 HB2 ARG 3 2HB ARG 3 -0.958 -13.897 2.966 19 HB3 ARG 3 1HB ARG 3 -2.097 -13.010 3.973 20 HG2 ARG 3 2HG ARG 3 -1.002 -13.541 5.939 21 HG3 ARG 3 1HG ARG 3 -0.333 -15.039 5.288 22 HD2 ARG 3 2HD ARG 3 1.238 -13.766 3.889 23 HD3 ARG 3 1HD ARG 3 0.556 -12.241 4.494 24 HE ARG 3 HE ARG 3 1.868 -14.253 6.288 25 HH11 ARG 3 1HH2 ARG 3 0.266 -12.163 7.654 26 HH12 ARG 3 2HH2 ARG 3 1.430 -10.918 7.952 27 HH21 ARG 3 1HH1 ARG 3 3.730 -12.176 5.651 28 HH22 ARG 3 2HH1 ARG 3 3.414 -10.924 6.802 29 H GLU 4 H GLU 4 -4.523 -16.583 3.594 30 HA GLU 4 HA GLU 4 -5.460 -15.823 1.006 31 HB2 GLU 4 2HB GLU 4 -6.804 -16.995 3.456 32 HB3 GLU 4 1HB GLU 4 -7.617 -16.854 1.898 33 HG2 GLU 4 2HG GLU 4 -6.237 -18.437 0.882 34 HG3 GLU 4 1HG GLU 4 -4.922 -18.180 2.028 35 H MET 5 H MET 5 -6.138 -14.458 4.224 36 HA MET 5 HA MET 5 -7.732 -12.273 2.926 37 HB2 MET 5 2HB MET 5 -8.016 -13.774 5.532 38 HB3 MET 5 1HB MET 5 -8.734 -12.176 5.332 39 HG2 MET 5 2HG MET 5 -10.333 -12.927 3.884 40 HG3 MET 5 1HG MET 5 -9.250 -14.098 3.129 41 HE1 MET 5 3HE MET 5 -9.556 -17.277 4.946 42 HE2 MET 5 1HE MET 5 -8.199 -16.136 4.946 43 HE3 MET 5 2HE MET 5 -9.153 -16.378 3.488 44 H ALA 6 H ALA 6 -6.173 -12.739 6.128 45 HA ALA 6 HA ALA 6 -4.890 -11.242 7.427 46 HB1 ALA 6 1HB ALA 6 -3.430 -11.055 4.780 47 HB2 ALA 6 2HB ALA 6 -3.392 -12.486 5.810 48 HB3 ALA 6 3HB ALA 6 -2.731 -10.960 6.395 49 H ALA 7 H ALA 7 -7.094 -9.818 6.692 50 HA ALA 7 HA ALA 7 -7.921 -7.640 6.495 51 HB1 ALA 7 1HB ALA 7 -5.023 -6.764 6.547 52 HB2 ALA 7 2HB ALA 7 -5.884 -7.274 8.000 53 HB3 ALA 7 3HB ALA 7 -6.436 -5.864 7.096 54 H SER 8 H SER 8 -8.753 -7.666 4.424 55 HA SER 8 HA SER 8 -6.939 -7.252 2.100 56 HB2 SER 8 2HB SER 8 -9.933 -7.739 2.168 57 HB3 SER 8 1HB SER 8 -8.849 -7.952 0.798 58 HG SER 8 HG SER 8 -7.834 -9.636 1.966 59 H ALA 9 H ALA 9 -9.948 -5.811 3.451 60 HA ALA 9 HA ALA 9 -10.043 -3.518 1.741 61 HB1 ALA 9 1HB ALA 9 -11.451 -2.604 3.651 62 HB2 ALA 9 2HB ALA 9 -11.013 -4.048 4.568 63 HB3 ALA 9 3HB ALA 9 -11.945 -4.198 3.077 64 H GLY 10 H GLY 10 -8.679 -3.912 5.038 65 HA2 GLY 10 2HA GLY 10 -7.228 -1.330 4.725 66 HA3 GLY 10 1HA GLY 10 -7.467 -2.190 6.246 67 H GLY 11 H GLY 11 -6.422 -3.812 3.281 68 HA2 GLY 11 2HA GLY 11 -3.849 -4.474 4.626 69 HA3 GLY 11 1HA GLY 11 -4.618 -5.444 3.373 70 H ALA 12 H ALA 12 -5.197 -3.495 1.450 71 HA ALA 12 HA ALA 12 -2.850 -3.279 -0.070 72 HB1 ALA 12 1HB ALA 12 -4.127 -1.754 -1.433 73 HB2 ALA 12 2HB ALA 12 -5.155 -1.316 -0.069 74 HB3 ALA 12 3HB ALA 12 -5.255 -2.934 -0.765 75 H VAL 13 H VAL 13 -4.245 -0.732 2.049 76 HA VAL 13 HA VAL 13 -2.227 1.253 1.596 77 HB VAL 13 HB VAL 13 -3.943 0.711 4.054 78 HG11 VAL 13 1HG1 VAL 13 -3.655 3.078 4.547 79 HG12 VAL 13 2HG1 VAL 13 -2.701 3.304 3.081 80 HG13 VAL 13 3HG1 VAL 13 -2.066 2.328 4.406 81 HG21 VAL 13 3HG2 VAL 13 -5.379 2.531 2.947 82 HG22 VAL 13 1HG2 VAL 13 -5.425 0.939 2.192 83 HG23 VAL 13 2HG2 VAL 13 -4.451 2.225 1.480 84 H PHE 14 H PHE 14 -2.504 -1.312 4.077 85 HA PHE 14 HA PHE 14 -0.042 -0.663 5.452 86 HB2 PHE 14 2HB PHE 14 -2.164 -2.081 6.116 87 HB3 PHE 14 1HB PHE 14 -1.264 -3.409 5.383 88 HD1 PHE 14 2HD PHE 14 -1.209 -0.841 8.059 89 HD2 PHE 14 1HD PHE 14 0.708 -4.319 6.422 90 HE1 PHE 14 2HE PHE 14 0.170 -1.045 10.108 91 HE2 PHE 14 1HE PHE 14 2.087 -4.522 8.472 92 HZ PHE 14 HZ PHE 14 1.819 -2.886 10.315 93 H VAL 15 H VAL 15 -0.865 -2.947 2.830 94 HA VAL 15 HA VAL 15 1.601 -4.357 2.651 95 HB VAL 15 HB VAL 15 -0.557 -3.608 0.659 96 HG11 VAL 15 1HG1 VAL 15 0.483 -5.561 -0.693 97 HG12 VAL 15 2HG1 VAL 15 1.946 -5.246 0.241 98 HG13 VAL 15 3HG1 VAL 15 1.270 -3.985 -0.790 99 HG21 VAL 15 3HG2 VAL 15 -1.549 -5.574 1.270 100 HG22 VAL 15 1HG2 VAL 15 -0.590 -5.376 2.736 101 HG23 VAL 15 2HG2 VAL 15 -0.009 -6.417 1.438 102 H GLY 16 H GLY 16 0.596 -1.251 1.160 103 HA2 GLY 16 2HA GLY 16 2.923 -0.847 -0.447 104 HA3 GLY 16 1HA GLY 16 1.878 0.442 0.156 105 H LEU 17 H LEU 17 2.162 0.144 2.905 106 HA LEU 17 HA LEU 17 4.673 1.467 3.431 107 HB2 LEU 17 2HB LEU 17 2.249 1.191 4.686 108 HB3 LEU 17 1HB LEU 17 3.259 0.137 5.673 109 HG LEU 17 HG LEU 17 4.169 2.919 4.937 110 HD11 LEU 17 1HD1 LEU 17 2.541 2.123 7.371 111 HD12 LEU 17 2HD1 LEU 17 1.951 3.101 6.028 112 HD13 LEU 17 3HD1 LEU 17 3.238 3.713 7.065 113 HD21 LEU 17 3HD2 LEU 17 5.414 2.611 7.117 114 HD22 LEU 17 1HD2 LEU 17 5.884 1.472 5.856 115 HD23 LEU 17 2HD2 LEU 17 4.816 0.953 7.160 116 H VAL 18 H VAL 18 3.515 -1.879 4.001 117 HA VAL 18 HA VAL 18 5.826 -2.886 5.352 118 HB VAL 18 HB VAL 18 3.692 -4.126 3.587 119 HG11 VAL 18 1HG1 VAL 18 5.411 -5.721 3.354 120 HG12 VAL 18 2HG1 VAL 18 4.515 -6.305 4.755 121 HG13 VAL 18 3HG1 VAL 18 6.031 -5.430 4.981 122 HG21 VAL 18 3HG2 VAL 18 2.706 -4.816 5.644 123 HG22 VAL 18 1HG2 VAL 18 3.199 -3.145 5.911 124 HG23 VAL 18 2HG2 VAL 18 4.174 -4.466 6.555 125 H LEU 19 H LEU 19 5.044 -2.690 1.863 126 HA LEU 19 HA LEU 19 7.379 -4.035 0.873 127 HB2 LEU 19 2HB LEU 19 5.072 -3.002 -0.171 128 HB3 LEU 19 1HB LEU 19 6.245 -1.802 -0.714 129 HG LEU 19 HG LEU 19 6.816 -4.739 -1.056 130 HD11 LEU 19 1HD1 LEU 19 5.212 -2.977 -2.936 131 HD12 LEU 19 2HD1 LEU 19 4.602 -4.378 -2.055 132 HD13 LEU 19 3HD1 LEU 19 5.814 -4.590 -3.317 133 HD21 LEU 19 3HD2 LEU 19 7.665 -2.163 -2.410 134 HD22 LEU 19 1HD2 LEU 19 8.029 -3.755 -3.076 135 HD23 LEU 19 2HD2 LEU 19 8.676 -3.288 -1.504 136 H LEU 20 H LEU 20 6.738 -0.604 1.630 137 HA LEU 20 HA LEU 20 9.160 0.541 0.648 138 HB2 LEU 20 2HB LEU 20 7.055 1.696 1.415 139 HB3 LEU 20 1HB LEU 20 7.525 1.341 3.076 140 HG LEU 20 HG LEU 20 9.728 2.555 1.615 141 HD11 LEU 20 1HD1 LEU 20 7.248 4.269 1.920 142 HD12 LEU 20 2HD1 LEU 20 7.757 3.567 0.383 143 HD13 LEU 20 3HD1 LEU 20 8.793 4.733 1.207 144 HD21 LEU 20 3HD2 LEU 20 9.845 3.925 3.573 145 HD22 LEU 20 1HD2 LEU 20 9.306 2.342 4.136 146 HD23 LEU 20 2HD2 LEU 20 8.143 3.655 3.951 147 H THR 21 H THR 21 8.396 -1.036 3.754 148 HA THR 21 HA THR 21 11.025 -0.462 4.930 149 HB THR 21 HB THR 21 8.862 -2.404 5.807 150 HG1 THR 21 1HG THR 21 9.129 0.392 6.184 151 HG21 THR 21 3HG2 THR 21 11.305 -2.224 6.846 152 HG22 THR 21 1HG2 THR 21 9.886 -2.452 7.868 153 HG23 THR 21 2HG2 THR 21 10.588 -0.846 7.679 154 H LEU 22 H LEU 22 9.325 -3.345 3.640 155 HA LEU 22 HA LEU 22 11.410 -5.253 4.043 156 HB2 LEU 22 2HB LEU 22 8.860 -5.364 3.239 157 HB3 LEU 22 1HB LEU 22 9.622 -5.411 1.650 158 HG LEU 22 HG LEU 22 11.148 -7.253 2.733 159 HD11 LEU 22 1HD1 LEU 22 9.968 -6.713 5.010 160 HD12 LEU 22 2HD1 LEU 22 10.302 -8.394 4.594 161 HD13 LEU 22 3HD1 LEU 22 8.678 -7.739 4.382 162 HD21 LEU 22 3HD2 LEU 22 9.495 -8.971 2.052 163 HD22 LEU 22 1HD2 LEU 22 9.551 -7.643 0.895 164 HD23 LEU 22 2HD2 LEU 22 8.227 -7.746 2.056 165 H SER 23 H SER 23 10.719 -3.129 1.235 166 HA SER 23 HA SER 23 13.378 -3.903 0.081 167 HB2 SER 23 2HB SER 23 10.713 -3.102 -1.062 168 HB3 SER 23 1HB SER 23 12.176 -2.850 -2.006 169 HG SER 23 HG SER 23 12.262 -4.935 -2.331 170 HA PRO 24 HA PRO 24 13.884 0.461 1.448 171 HB2 PRO 24 2HB PRO 24 16.521 0.227 2.130 172 HB3 PRO 24 1HB PRO 24 15.197 -0.206 3.231 173 HG2 PRO 24 2HG PRO 24 16.944 -1.960 1.602 174 HG3 PRO 24 1HG PRO 24 16.255 -2.224 3.212 175 HD2 PRO 24 2HD PRO 24 15.277 -3.345 0.907 176 HD3 PRO 24 1HD PRO 24 14.327 -3.088 2.387 177 H HIS 25 H HIS 25 13.640 1.083 -0.796 178 HA HIS 25 HA HIS 25 16.223 1.279 -2.321 179 HB2 HIS 25 2HB HIS 25 14.055 -0.288 -2.934 180 HB3 HIS 25 1HB HIS 25 13.694 1.178 -3.843 181 HD1 HIS 25 1HD HIS 25 16.318 -1.519 -3.506 182 HD2 HIS 25 2HD HIS 25 15.387 1.655 -6.045 183 HE1 HIS 25 1HE HIS 25 17.841 -1.740 -5.516 184 H TYR 26 H TYR 26 14.902 3.293 -0.509 185 HA TYR 26 HA TYR 26 14.078 5.382 -2.484 186 HB2 TYR 26 2HB TYR 26 13.650 4.926 0.474 187 HB3 TYR 26 1HB TYR 26 13.361 6.507 -0.252 188 HD1 TYR 26 1HD TYR 26 11.625 6.801 -1.996 189 HD2 TYR 26 2HD TYR 26 12.190 3.043 0.013 190 HE1 TYR 26 1HE TYR 26 9.417 6.029 -2.815 191 HE2 TYR 26 2HE TYR 26 9.982 2.274 -0.808 192 HH TYR 26 HH TYR 26 7.651 4.185 -1.873 193 H LYS 27 H LYS 27 16.247 5.854 -3.174 194 HA LYS 27 HA LYS 27 17.646 7.802 -1.493 195 HB2 LYS 27 2HB LYS 27 19.776 6.479 -1.496 196 HB3 LYS 27 1HB LYS 27 18.497 5.743 -0.540 197 HG2 LYS 27 2HG LYS 27 18.635 3.865 -1.765 198 HG3 LYS 27 1HG LYS 27 18.269 4.772 -3.231 199 HD2 LYS 27 2HD LYS 27 21.043 5.025 -2.184 200 HD3 LYS 27 1HD LYS 27 20.601 3.461 -2.864 201 HE2 LYS 27 2HE LYS 27 21.124 4.406 -4.874 202 HE3 LYS 27 1HE LYS 27 19.556 5.222 -4.732 203 HZ1 LYS 27 3HZ LYS 27 20.697 6.984 -3.435 204 HZ2 LYS 27 1HZ LYS 27 21.228 6.881 -5.038 205 HZ3 LYS 27 2HZ LYS 27 22.185 6.242 -3.789 Start of MODEL 11 1 H1 MET 1 1HT MET 1 -6.789 1.342 10.022 2 H2 MET 1 2HT MET 1 -7.662 0.168 10.884 3 H3 MET 1 3HT MET 1 -7.029 1.523 11.690 4 HA MET 1 HA MET 1 -9.235 1.508 9.683 5 HB2 MET 1 2HB MET 1 -8.950 1.645 12.656 6 HB3 MET 1 1HB MET 1 -10.207 2.639 11.924 7 HG2 MET 1 2HG MET 1 -9.912 -0.290 11.245 8 HG3 MET 1 1HG MET 1 -10.875 0.253 12.618 9 HE1 MET 1 2HE MET 1 -12.759 -1.234 11.138 10 HE2 MET 1 3HE MET 1 -11.542 -1.373 9.872 11 HE3 MET 1 1HE MET 1 -13.174 -0.800 9.483 12 H ASP 2 H ASP 2 -8.975 3.286 8.372 13 HA ASP 2 HA ASP 2 -8.120 5.870 9.635 14 HB2 ASP 2 2HB ASP 2 -7.252 4.654 6.991 15 HB3 ASP 2 1HB ASP 2 -6.813 6.268 7.546 16 H ARG 3 H ARG 3 -9.786 7.289 9.403 17 HA ARG 3 HA ARG 3 -11.942 6.906 7.471 18 HB2 ARG 3 2HB ARG 3 -11.231 8.818 9.662 19 HB3 ARG 3 1HB ARG 3 -12.471 9.296 8.503 20 HG2 ARG 3 2HG ARG 3 -13.920 7.592 9.126 21 HG3 ARG 3 1HG ARG 3 -12.619 6.562 9.724 22 HD2 ARG 3 2HD ARG 3 -12.276 8.425 11.523 23 HD3 ARG 3 1HD ARG 3 -13.926 8.916 11.082 24 HE ARG 3 HE ARG 3 -13.183 6.229 12.153 25 HH11 ARG 3 1HH2 ARG 3 -14.922 8.071 13.731 26 HH12 ARG 3 2HH2 ARG 3 -16.511 7.500 13.355 27 HH21 ARG 3 1HH1 ARG 3 -15.476 5.705 10.552 28 HH22 ARG 3 2HH1 ARG 3 -16.828 6.147 11.537 29 H GLU 4 H GLU 4 -9.078 9.004 7.655 30 HA GLU 4 HA GLU 4 -9.721 10.953 5.707 31 HB2 GLU 4 2HB GLU 4 -7.148 9.608 6.554 32 HB3 GLU 4 1HB GLU 4 -7.165 10.921 5.377 33 HG2 GLU 4 2HG GLU 4 -8.456 11.165 8.104 34 HG3 GLU 4 1HG GLU 4 -6.780 11.619 7.801 35 H MET 5 H MET 5 -8.276 7.703 5.236 36 HA MET 5 HA MET 5 -8.341 8.031 2.297 37 HB2 MET 5 2HB MET 5 -7.410 5.890 4.226 38 HB3 MET 5 1HB MET 5 -7.414 5.634 2.483 39 HG2 MET 5 2HG MET 5 -5.374 6.601 2.460 40 HG3 MET 5 1HG MET 5 -6.199 8.125 2.780 41 HE1 MET 5 3HE MET 5 -4.009 5.244 4.150 42 HE2 MET 5 1HE MET 5 -5.628 4.848 4.755 43 HE3 MET 5 2HE MET 5 -4.342 5.276 5.878 44 H ALA 6 H ALA 6 -9.426 5.268 4.311 45 HA ALA 6 HA ALA 6 -11.337 3.923 4.208 46 HB1 ALA 6 1HB ALA 6 -12.152 6.300 4.804 47 HB2 ALA 6 2HB ALA 6 -13.355 5.136 4.250 48 HB3 ALA 6 3HB ALA 6 -12.743 6.364 3.143 49 H ALA 7 H ALA 7 -9.693 4.492 1.557 50 HA ALA 7 HA ALA 7 -11.752 3.320 -0.283 51 HB1 ALA 7 1HB ALA 7 -11.204 5.747 -0.643 52 HB2 ALA 7 2HB ALA 7 -10.862 4.722 -2.035 53 HB3 ALA 7 3HB ALA 7 -9.545 5.263 -0.995 54 H SER 8 H SER 8 -8.883 2.605 1.294 55 HA SER 8 HA SER 8 -7.751 1.055 -1.001 56 HB2 SER 8 2HB SER 8 -6.620 1.888 1.689 57 HB3 SER 8 1HB SER 8 -5.736 1.002 0.455 58 HG SER 8 HG SER 8 -6.762 3.649 0.384 59 H ALA 9 H ALA 9 -10.159 0.175 0.492 60 HA ALA 9 HA ALA 9 -11.065 -1.737 1.485 61 HB1 ALA 9 1HB ALA 9 -8.506 -3.083 0.640 62 HB2 ALA 9 2HB ALA 9 -9.684 -2.516 -0.545 63 HB3 ALA 9 3HB ALA 9 -10.144 -3.735 0.643 64 H GLY 10 H GLY 10 -8.990 -0.066 3.148 65 HA2 GLY 10 2HA GLY 10 -7.949 -0.195 5.237 66 HA3 GLY 10 1HA GLY 10 -9.182 -1.398 5.603 67 H GLY 11 H GLY 11 -6.507 -1.584 3.239 68 HA2 GLY 11 2HA GLY 11 -4.918 -3.387 4.879 69 HA3 GLY 11 1HA GLY 11 -5.811 -4.246 3.625 70 H ALA 12 H ALA 12 -5.666 -2.546 1.468 71 HA ALA 12 HA ALA 12 -3.207 -3.048 0.230 72 HB1 ALA 12 1HB ALA 12 -5.235 -2.323 -0.925 73 HB2 ALA 12 2HB ALA 12 -3.911 -1.227 -1.324 74 HB3 ALA 12 3HB ALA 12 -5.136 -0.740 -0.152 75 H VAL 13 H VAL 13 -4.132 -0.081 2.009 76 HA VAL 13 HA VAL 13 -1.793 1.470 1.590 77 HB VAL 13 HB VAL 13 -3.867 1.249 3.781 78 HG11 VAL 13 1HG1 VAL 13 -2.898 3.582 4.456 79 HG12 VAL 13 2HG1 VAL 13 -1.412 2.995 3.712 80 HG13 VAL 13 3HG1 VAL 13 -2.118 2.128 5.076 81 HG21 VAL 13 3HG2 VAL 13 -3.328 3.647 2.061 82 HG22 VAL 13 1HG2 VAL 13 -4.854 3.070 2.730 83 HG23 VAL 13 2HG2 VAL 13 -4.134 2.252 1.345 84 H PHE 14 H PHE 14 -2.476 -0.994 4.093 85 HA PHE 14 HA PHE 14 0.012 -0.704 5.531 86 HB2 PHE 14 2HB PHE 14 -2.183 -1.772 6.276 87 HB3 PHE 14 1HB PHE 14 -1.743 -3.164 5.287 88 HD1 PHE 14 1HD PHE 14 -0.881 -1.186 8.284 89 HD2 PHE 14 2HD PHE 14 0.092 -4.635 5.915 90 HE1 PHE 14 1HE PHE 14 0.546 -2.045 10.120 91 HE2 PHE 14 2HE PHE 14 1.518 -5.494 7.753 92 HZ PHE 14 HZ PHE 14 1.745 -4.199 9.857 93 H VAL 15 H VAL 15 -1.038 -2.870 2.876 94 HA VAL 15 HA VAL 15 1.302 -4.506 2.725 95 HB VAL 15 HB VAL 15 -0.683 -3.590 0.610 96 HG11 VAL 15 1HG1 VAL 15 1.338 -4.468 -0.466 97 HG12 VAL 15 2HG1 VAL 15 0.021 -5.629 -0.626 98 HG13 VAL 15 3HG1 VAL 15 1.291 -5.897 0.568 99 HG21 VAL 15 3HG2 VAL 15 -1.902 -5.575 1.120 100 HG22 VAL 15 1HG2 VAL 15 -1.489 -4.882 2.689 101 HG23 VAL 15 2HG2 VAL 15 -0.569 -6.245 2.058 102 H GLY 16 H GLY 16 0.528 -1.371 1.183 103 HA2 GLY 16 2HA GLY 16 2.904 -1.175 -0.414 104 HA3 GLY 16 1HA GLY 16 1.889 0.183 0.073 105 H LEU 17 H LEU 17 2.150 -0.185 2.922 106 HA LEU 17 HA LEU 17 4.582 1.273 3.443 107 HB2 LEU 17 2HB LEU 17 2.221 0.330 4.849 108 HB3 LEU 17 1HB LEU 17 3.660 0.101 5.838 109 HG LEU 17 HG LEU 17 4.161 2.590 4.918 110 HD11 LEU 17 1HD1 LEU 17 1.144 2.456 5.197 111 HD12 LEU 17 2HD1 LEU 17 1.997 2.611 3.661 112 HD13 LEU 17 3HD1 LEU 17 2.109 3.895 4.866 113 HD21 LEU 17 3HD2 LEU 17 4.226 2.111 7.252 114 HD22 LEU 17 1HD2 LEU 17 2.516 1.684 7.292 115 HD23 LEU 17 2HD2 LEU 17 3.001 3.366 7.080 116 H VAL 18 H VAL 18 3.683 -2.160 3.922 117 HA VAL 18 HA VAL 18 6.097 -2.992 5.237 118 HB VAL 18 HB VAL 18 4.069 -4.437 3.491 119 HG11 VAL 18 1HG1 VAL 18 5.049 -6.451 4.893 120 HG12 VAL 18 2HG1 VAL 18 6.487 -5.432 4.971 121 HG13 VAL 18 3HG1 VAL 18 5.850 -5.940 3.407 122 HG21 VAL 18 3HG2 VAL 18 4.470 -4.398 6.502 123 HG22 VAL 18 1HG2 VAL 18 3.163 -5.197 5.630 124 HG23 VAL 18 2HG2 VAL 18 3.265 -3.438 5.646 125 H LEU 19 H LEU 19 5.193 -2.741 1.799 126 HA LEU 19 HA LEU 19 7.548 -3.943 0.664 127 HB2 LEU 19 2HB LEU 19 5.326 -3.434 -0.438 128 HB3 LEU 19 1HB LEU 19 5.785 -1.733 -0.450 129 HG LEU 19 HG LEU 19 7.830 -3.555 -1.560 130 HD11 LEU 19 1HD1 LEU 19 5.324 -3.035 -3.174 131 HD12 LEU 19 2HD1 LEU 19 5.600 -4.547 -2.310 132 HD13 LEU 19 3HD1 LEU 19 6.695 -4.057 -3.601 133 HD21 LEU 19 3HD2 LEU 19 8.011 -1.102 -1.654 134 HD22 LEU 19 1HD2 LEU 19 6.482 -1.010 -2.531 135 HD23 LEU 19 2HD2 LEU 19 7.888 -1.764 -3.284 136 H LEU 20 H LEU 20 6.739 -0.599 1.609 137 HA LEU 20 HA LEU 20 9.160 0.647 0.640 138 HB2 LEU 20 2HB LEU 20 6.849 1.625 1.305 139 HB3 LEU 20 1HB LEU 20 7.461 1.578 2.958 140 HG LEU 20 HG LEU 20 9.326 2.769 0.997 141 HD11 LEU 20 1HD1 LEU 20 8.115 4.904 0.875 142 HD12 LEU 20 2HD1 LEU 20 6.757 4.199 1.751 143 HD13 LEU 20 3HD1 LEU 20 7.163 3.617 0.136 144 HD21 LEU 20 3HD2 LEU 20 8.234 3.882 3.595 145 HD22 LEU 20 1HD2 LEU 20 9.774 4.252 2.819 146 HD23 LEU 20 2HD2 LEU 20 9.515 2.669 3.552 147 H THR 21 H THR 21 8.291 -1.014 3.644 148 HA THR 21 HA THR 21 10.895 -0.281 4.903 149 HB THR 21 HB THR 21 8.571 -1.840 6.081 150 HG1 THR 21 1HG THR 21 7.594 0.020 5.632 151 HG21 THR 21 3HG2 THR 21 9.540 -0.583 8.159 152 HG22 THR 21 1HG2 THR 21 10.982 -0.411 7.157 153 HG23 THR 21 2HG2 THR 21 10.369 -2.016 7.554 154 H LEU 22 H LEU 22 10.940 -2.092 2.628 155 HA LEU 22 HA LEU 22 11.662 -4.676 3.965 156 HB2 LEU 22 2HB LEU 22 9.677 -4.801 2.522 157 HB3 LEU 22 1HB LEU 22 10.583 -4.110 1.183 158 HG LEU 22 HG LEU 22 12.186 -6.232 1.912 159 HD11 LEU 22 1HD1 LEU 22 10.649 -8.172 2.112 160 HD12 LEU 22 2HD1 LEU 22 9.285 -7.062 2.228 161 HD13 LEU 22 3HD1 LEU 22 10.516 -7.082 3.491 162 HD21 LEU 22 3HD2 LEU 22 11.419 -7.247 -0.142 163 HD22 LEU 22 1HD2 LEU 22 11.373 -5.499 -0.371 164 HD23 LEU 22 2HD2 LEU 22 9.882 -6.386 -0.056 165 H SER 23 H SER 23 12.389 -3.457 0.666 166 HA SER 23 HA SER 23 15.174 -2.855 1.270 167 HB2 SER 23 2HB SER 23 15.986 -4.825 -0.189 168 HB3 SER 23 1HB SER 23 15.465 -5.193 1.445 169 HG SER 23 HG SER 23 13.964 -5.465 -0.964 170 HA PRO 24 HA PRO 24 14.405 -0.787 -2.595 171 HB2 PRO 24 2HB PRO 24 16.890 0.278 -2.982 172 HB3 PRO 24 1HB PRO 24 15.741 0.916 -1.790 173 HG2 PRO 24 2HG PRO 24 18.130 -0.775 -1.384 174 HG3 PRO 24 1HG PRO 24 17.437 0.476 -0.342 175 HD2 PRO 24 2HD PRO 24 17.158 -2.246 0.038 176 HD3 PRO 24 1HD PRO 24 16.103 -0.999 0.736 177 H HIS 25 H HIS 25 14.117 -2.742 -3.859 178 HA HIS 25 HA HIS 25 16.235 -4.430 -4.818 179 HB2 HIS 25 2HB HIS 25 13.469 -3.789 -5.882 180 HB3 HIS 25 1HB HIS 25 14.479 -5.090 -6.505 181 HD1 HIS 25 1HD HIS 25 11.833 -4.595 -4.206 182 HD2 HIS 25 2HD HIS 25 15.351 -6.828 -4.069 183 HE1 HIS 25 1HE HIS 25 11.500 -6.345 -2.410 184 H TYR 26 H TYR 26 14.624 -1.593 -6.315 185 HA TYR 26 HA TYR 26 17.023 -1.159 -8.011 186 HB2 TYR 26 2HB TYR 26 14.935 -2.634 -8.962 187 HB3 TYR 26 1HB TYR 26 14.431 -1.012 -9.440 188 HD1 TYR 26 1HD TYR 26 17.187 -3.496 -9.671 189 HD2 TYR 26 2HD TYR 26 15.551 0.178 -11.186 190 HE1 TYR 26 1HE TYR 26 18.814 -3.541 -11.542 191 HE2 TYR 26 2HE TYR 26 17.177 0.131 -13.056 192 HH TYR 26 HH TYR 26 19.617 -1.003 -13.336 193 H LYS 27 H LYS 27 17.005 1.002 -9.008 194 HA LYS 27 HA LYS 27 15.310 2.957 -7.494 195 HB2 LYS 27 2HB LYS 27 17.851 2.860 -7.228 196 HB3 LYS 27 1HB LYS 27 17.955 3.428 -8.893 197 HG2 LYS 27 2HG LYS 27 18.001 5.459 -7.792 198 HG3 LYS 27 1HG LYS 27 16.260 5.277 -8.003 199 HD2 LYS 27 2HD LYS 27 16.132 4.233 -5.738 200 HD3 LYS 27 1HD LYS 27 17.854 4.555 -5.527 201 HE2 LYS 27 2HE LYS 27 17.459 6.974 -5.779 202 HE3 LYS 27 1HE LYS 27 15.729 6.673 -6.029 203 HZ1 LYS 27 3HZ LYS 27 17.284 5.886 -3.616 204 HZ2 LYS 27 1HZ LYS 27 15.636 5.575 -3.874 205 HZ3 LYS 27 2HZ LYS 27 16.182 7.175 -3.706 Start of MODEL 12 1 H1 MET 1 1HT MET 1 -23.937 -5.900 -4.810 2 H2 MET 1 2HT MET 1 -24.210 -6.827 -3.414 3 H3 MET 1 3HT MET 1 -23.239 -7.435 -4.670 4 HA MET 1 HA MET 1 -22.563 -4.995 -3.110 5 HB2 MET 1 2HB MET 1 -21.118 -6.419 -1.780 6 HB3 MET 1 1HB MET 1 -22.744 -7.087 -1.729 7 HG2 MET 1 2HG MET 1 -22.091 -8.692 -3.540 8 HG3 MET 1 1HG MET 1 -20.445 -8.062 -3.454 9 HE1 MET 1 2HE MET 1 -21.228 -11.712 -1.750 10 HE2 MET 1 3HE MET 1 -21.400 -10.881 -3.293 11 HE3 MET 1 1HE MET 1 -22.732 -10.878 -2.123 12 H ASP 2 H ASP 2 -20.531 -4.133 -3.698 13 HA ASP 2 HA ASP 2 -19.562 -4.898 -6.382 14 HB2 ASP 2 2HB ASP 2 -19.965 -2.528 -5.144 15 HB3 ASP 2 1HB ASP 2 -18.256 -2.764 -4.771 16 H ARG 3 H ARG 3 -17.046 -4.756 -6.606 17 HA ARG 3 HA ARG 3 -15.603 -6.066 -4.343 18 HB2 ARG 3 2HB ARG 3 -15.929 -7.078 -7.189 19 HB3 ARG 3 1HB ARG 3 -14.727 -7.713 -6.074 20 HG2 ARG 3 2HG ARG 3 -17.670 -7.649 -5.384 21 HG3 ARG 3 1HG ARG 3 -16.939 -9.000 -6.240 22 HD2 ARG 3 2HD ARG 3 -15.896 -9.784 -4.369 23 HD3 ARG 3 1HD ARG 3 -15.464 -8.158 -3.810 24 HE ARG 3 HE ARG 3 -17.979 -7.949 -3.225 25 HH11 ARG 3 1HH2 ARG 3 -18.818 -10.648 -4.083 26 HH12 ARG 3 2HH2 ARG 3 -18.720 -11.573 -2.624 27 HH21 ARG 3 1HH1 ARG 3 -16.715 -9.232 -0.988 28 HH22 ARG 3 2HH1 ARG 3 -17.513 -10.761 -0.846 29 H GLU 4 H GLU 4 -13.187 -6.482 -5.597 30 HA GLU 4 HA GLU 4 -11.210 -5.435 -6.258 31 HB2 GLU 4 2HB GLU 4 -13.358 -4.362 -8.033 32 HB3 GLU 4 1HB GLU 4 -11.764 -3.618 -8.129 33 HG2 GLU 4 2HG GLU 4 -11.371 -5.314 -9.609 34 HG3 GLU 4 1HG GLU 4 -11.043 -6.228 -8.140 35 H MET 5 H MET 5 -12.983 -4.081 -4.039 36 HA MET 5 HA MET 5 -11.467 -1.493 -4.013 37 HB2 MET 5 2HB MET 5 -14.043 -1.552 -4.534 38 HB3 MET 5 1HB MET 5 -14.195 -1.797 -2.792 39 HG2 MET 5 2HG MET 5 -14.296 0.567 -3.123 40 HG3 MET 5 1HG MET 5 -12.677 0.236 -2.504 41 HE1 MET 5 3HE MET 5 -11.260 2.215 -3.417 42 HE2 MET 5 1HE MET 5 -12.926 2.811 -3.492 43 HE3 MET 5 2HE MET 5 -11.820 3.102 -4.831 44 H ALA 6 H ALA 6 -13.063 -4.009 -2.046 45 HA ALA 6 HA ALA 6 -12.470 -3.230 0.563 46 HB1 ALA 6 1HB ALA 6 -13.801 -5.124 0.268 47 HB2 ALA 6 2HB ALA 6 -12.289 -5.831 0.837 48 HB3 ALA 6 3HB ALA 6 -12.681 -5.854 -0.882 49 H ALA 7 H ALA 7 -10.229 -4.811 -1.746 50 HA ALA 7 HA ALA 7 -8.094 -4.976 0.292 51 HB1 ALA 7 1HB ALA 7 -6.866 -6.067 -1.551 52 HB2 ALA 7 2HB ALA 7 -8.161 -5.636 -2.667 53 HB3 ALA 7 3HB ALA 7 -8.470 -6.772 -1.354 54 H SER 8 H SER 8 -8.656 -3.212 -2.796 55 HA SER 8 HA SER 8 -6.179 -1.753 -2.745 56 HB2 SER 8 2HB SER 8 -7.519 -0.243 -4.353 57 HB3 SER 8 1HB SER 8 -7.301 -1.924 -4.809 58 HG SER 8 HG SER 8 -9.458 -1.416 -5.059 59 H ALA 9 H ALA 9 -9.379 -1.031 -1.330 60 HA ALA 9 HA ALA 9 -8.419 1.634 -0.427 61 HB1 ALA 9 1HB ALA 9 -10.767 1.919 0.230 62 HB2 ALA 9 2HB ALA 9 -11.079 0.210 -0.079 63 HB3 ALA 9 3HB ALA 9 -10.682 1.291 -1.416 64 H GLY 10 H GLY 10 -6.739 0.317 0.902 65 HA2 GLY 10 2HA GLY 10 -6.735 0.579 3.528 66 HA3 GLY 10 1HA GLY 10 -7.867 -0.769 3.435 67 H GLY 11 H GLY 11 -6.985 -2.631 1.952 68 HA2 GLY 11 2HA GLY 11 -4.722 -3.809 3.153 69 HA3 GLY 11 1HA GLY 11 -5.402 -4.316 1.610 70 H ALA 12 H ALA 12 -4.926 -2.018 0.061 71 HA ALA 12 HA ALA 12 -2.228 -2.361 -0.800 72 HB1 ALA 12 1HB ALA 12 -3.876 -1.501 -2.300 73 HB2 ALA 12 2HB ALA 12 -2.751 -0.171 -2.024 74 HB3 ALA 12 3HB ALA 12 -4.306 -0.196 -1.193 75 H VAL 13 H VAL 13 -3.666 0.033 1.424 76 HA VAL 13 HA VAL 13 -1.344 1.719 1.687 77 HB VAL 13 HB VAL 13 -3.693 1.156 3.538 78 HG11 VAL 13 1HG1 VAL 13 -1.725 3.469 3.539 79 HG12 VAL 13 2HG1 VAL 13 -1.814 2.199 4.759 80 HG13 VAL 13 3HG1 VAL 13 -3.151 3.333 4.568 81 HG21 VAL 13 3HG2 VAL 13 -4.512 3.339 2.581 82 HG22 VAL 13 1HG2 VAL 13 -4.420 2.040 1.390 83 HG23 VAL 13 2HG2 VAL 13 -3.172 3.286 1.436 84 H PHE 14 H PHE 14 -2.545 -1.046 3.646 85 HA PHE 14 HA PHE 14 -0.369 -1.025 5.545 86 HB2 PHE 14 2HB PHE 14 -2.625 -2.106 5.814 87 HB3 PHE 14 1HB PHE 14 -2.132 -3.330 4.645 88 HD1 PHE 14 1HD PHE 14 -1.331 -1.862 7.973 89 HD2 PHE 14 2HD PHE 14 -0.701 -5.136 5.264 90 HE1 PHE 14 1HE PHE 14 -0.190 -3.133 9.771 91 HE2 PHE 14 2HE PHE 14 0.440 -6.404 7.062 92 HZ PHE 14 HZ PHE 14 0.696 -5.403 9.316 93 H VAL 15 H VAL 15 -0.970 -3.014 2.613 94 HA VAL 15 HA VAL 15 1.493 -4.493 2.695 95 HB VAL 15 HB VAL 15 -0.433 -3.727 0.474 96 HG11 VAL 15 1HG1 VAL 15 2.018 -5.489 0.419 97 HG12 VAL 15 2HG1 VAL 15 1.538 -4.237 -0.726 98 HG13 VAL 15 3HG1 VAL 15 0.667 -5.768 -0.680 99 HG21 VAL 15 3HG2 VAL 15 -1.468 -5.778 0.884 100 HG22 VAL 15 1HG2 VAL 15 -0.992 -5.305 2.513 101 HG23 VAL 15 2HG2 VAL 15 -0.025 -6.477 1.619 102 H GLY 16 H GLY 16 0.619 -1.366 1.220 103 HA2 GLY 16 2HA GLY 16 3.014 -0.917 -0.259 104 HA3 GLY 16 1HA GLY 16 1.936 0.349 0.334 105 H LEU 17 H LEU 17 2.149 -0.197 3.123 106 HA LEU 17 HA LEU 17 4.557 1.241 3.828 107 HB2 LEU 17 2HB LEU 17 2.313 1.183 5.010 108 HB3 LEU 17 1HB LEU 17 2.721 -0.437 5.572 109 HG LEU 17 HG LEU 17 4.859 1.512 6.069 110 HD11 LEU 17 1HD1 LEU 17 2.204 1.857 7.503 111 HD12 LEU 17 2HD1 LEU 17 2.871 2.993 6.329 112 HD13 LEU 17 3HD1 LEU 17 3.704 2.716 7.859 113 HD21 LEU 17 3HD2 LEU 17 4.704 -0.790 7.029 114 HD22 LEU 17 1HD2 LEU 17 3.251 -0.303 7.902 115 HD23 LEU 17 2HD2 LEU 17 4.800 0.450 8.279 116 H VAL 18 H VAL 18 3.595 -2.201 4.207 117 HA VAL 18 HA VAL 18 6.020 -3.120 5.449 118 HB VAL 18 HB VAL 18 3.936 -4.475 3.689 119 HG11 VAL 18 1HG1 VAL 18 6.086 -5.754 3.751 120 HG12 VAL 18 2HG1 VAL 18 4.758 -6.605 4.538 121 HG13 VAL 18 3HG1 VAL 18 5.979 -5.785 5.511 122 HG21 VAL 18 3HG2 VAL 18 2.904 -5.154 5.737 123 HG22 VAL 18 1HG2 VAL 18 3.266 -3.439 5.935 124 HG23 VAL 18 2HG2 VAL 18 4.300 -4.651 6.690 125 H LEU 19 H LEU 19 4.998 -2.846 2.049 126 HA LEU 19 HA LEU 19 7.335 -3.998 0.822 127 HB2 LEU 19 2HB LEU 19 5.084 -3.626 -0.218 128 HB3 LEU 19 1HB LEU 19 5.396 -1.892 -0.200 129 HG LEU 19 HG LEU 19 7.609 -3.355 -1.415 130 HD11 LEU 19 1HD1 LEU 19 4.950 -3.516 -2.859 131 HD12 LEU 19 2HD1 LEU 19 5.656 -4.875 -1.985 132 HD13 LEU 19 3HD1 LEU 19 6.496 -4.189 -3.375 133 HD21 LEU 19 3HD2 LEU 19 7.300 -1.678 -3.152 134 HD22 LEU 19 1HD2 LEU 19 7.103 -0.898 -1.583 135 HD23 LEU 19 2HD2 LEU 19 5.684 -1.299 -2.553 136 H LEU 20 H LEU 20 6.452 -0.657 1.736 137 HA LEU 20 HA LEU 20 8.668 0.733 0.604 138 HB2 LEU 20 2HB LEU 20 6.398 1.293 2.127 139 HB3 LEU 20 1HB LEU 20 7.722 1.764 3.183 140 HG LEU 20 HG LEU 20 8.578 2.807 0.808 141 HD11 LEU 20 1HD1 LEU 20 5.577 2.642 0.766 142 HD12 LEU 20 2HD1 LEU 20 6.725 2.431 -0.556 143 HD13 LEU 20 3HD1 LEU 20 6.381 4.045 0.062 144 HD21 LEU 20 3HD2 LEU 20 6.817 4.002 2.966 145 HD22 LEU 20 1HD2 LEU 20 7.548 4.977 1.691 146 HD23 LEU 20 2HD2 LEU 20 8.573 4.099 2.824 147 H THR 21 H THR 21 8.327 -0.962 3.728 148 HA THR 21 HA THR 21 10.904 -0.120 4.782 149 HB THR 21 HB THR 21 9.096 -2.465 5.482 150 HG1 THR 21 1HG THR 21 7.872 -0.829 6.022 151 HG21 THR 21 3HG2 THR 21 11.459 -2.564 6.370 152 HG22 THR 21 1HG2 THR 21 10.212 -2.497 7.614 153 HG23 THR 21 2HG2 THR 21 11.135 -1.051 7.215 154 H LEU 22 H LEU 22 9.761 -2.871 2.837 155 HA LEU 22 HA LEU 22 12.188 -4.443 3.065 156 HB2 LEU 22 2HB LEU 22 9.608 -4.495 1.644 157 HB3 LEU 22 1HB LEU 22 10.929 -5.181 0.705 158 HG LEU 22 HG LEU 22 9.795 -6.900 2.062 159 HD11 LEU 22 1HD1 LEU 22 12.552 -6.350 3.183 160 HD12 LEU 22 2HD1 LEU 22 12.270 -7.004 1.569 161 HD13 LEU 22 3HD1 LEU 22 11.763 -7.915 2.991 162 HD21 LEU 22 3HD2 LEU 22 9.564 -6.788 4.377 163 HD22 LEU 22 1HD2 LEU 22 9.356 -5.093 3.941 164 HD23 LEU 22 2HD2 LEU 22 10.906 -5.660 4.562 165 H SER 23 H SER 23 10.857 -2.684 0.228 166 HA SER 23 HA SER 23 11.894 -1.626 -1.581 167 HB2 SER 23 2HB SER 23 13.755 -1.087 0.736 168 HB3 SER 23 1HB SER 23 14.009 -0.370 -0.850 169 HG SER 23 HG SER 23 11.872 -0.030 0.975 170 HA PRO 24 HA PRO 24 14.604 -5.167 -2.621 171 HB2 PRO 24 2HB PRO 24 13.635 -5.525 -5.149 172 HB3 PRO 24 1HB PRO 24 12.863 -6.212 -3.707 173 HG2 PRO 24 2HG PRO 24 12.090 -3.854 -5.317 174 HG3 PRO 24 1HG PRO 24 11.076 -5.022 -4.456 175 HD2 PRO 24 2HD PRO 24 11.676 -2.485 -3.557 176 HD3 PRO 24 1HD PRO 24 11.126 -3.827 -2.533 177 H HIS 25 H HIS 25 16.315 -3.487 -2.540 178 HA HIS 25 HA HIS 25 16.946 -2.177 -5.163 179 HB2 HIS 25 2HB HIS 25 16.710 -0.842 -3.024 180 HB3 HIS 25 1HB HIS 25 18.111 -1.707 -2.396 181 HD1 HIS 25 1HD HIS 25 20.389 -1.405 -3.812 182 HD2 HIS 25 2HD HIS 25 17.337 1.295 -4.702 183 HE1 HIS 25 1HE HIS 25 21.465 0.498 -5.087 184 H TYR 26 H TYR 26 18.531 -3.940 -2.469 185 HA TYR 26 HA TYR 26 20.823 -4.658 -4.212 186 HB2 TYR 26 2HB TYR 26 20.822 -3.844 -1.722 187 HB3 TYR 26 1HB TYR 26 20.371 -5.507 -1.351 188 HD1 TYR 26 2HD TYR 26 21.866 -7.398 -2.114 189 HD2 TYR 26 1HD TYR 26 23.061 -3.275 -2.323 190 HE1 TYR 26 2HE TYR 26 24.235 -8.094 -2.337 191 HE2 TYR 26 1HE TYR 26 25.429 -3.974 -2.547 192 HH TYR 26 HH TYR 26 26.675 -6.541 -1.699 193 H LYS 27 H LYS 27 18.256 -6.245 -2.293 194 HA LYS 27 HA LYS 27 18.759 -8.797 -3.776 195 HB2 LYS 27 2HB LYS 27 17.781 -9.884 -1.821 196 HB3 LYS 27 1HB LYS 27 19.076 -8.808 -1.310 197 HG2 LYS 27 2HG LYS 27 17.529 -7.162 -0.523 198 HG3 LYS 27 1HG LYS 27 16.173 -7.946 -1.334 199 HD2 LYS 27 2HD LYS 27 16.926 -10.001 0.198 200 HD3 LYS 27 1HD LYS 27 17.554 -8.697 1.207 201 HE2 LYS 27 2HE LYS 27 15.269 -7.598 1.059 202 HE3 LYS 27 1HE LYS 27 14.684 -9.088 0.296 203 HZ1 LYS 27 3HZ LYS 27 15.986 -8.863 2.961 204 HZ2 LYS 27 1HZ LYS 27 15.587 -10.332 2.212 205 HZ3 LYS 27 2HZ LYS 27 14.360 -9.245 2.658 Start of MODEL 13 1 H1 MET 1 1HT MET 1 -8.627 6.754 -6.794 2 H2 MET 1 2HT MET 1 -10.154 6.026 -6.963 3 H3 MET 1 3HT MET 1 -9.626 6.564 -5.441 4 HA MET 1 HA MET 1 -9.751 8.855 -6.110 5 HB2 MET 1 2HB MET 1 -10.078 7.489 -8.774 6 HB3 MET 1 1HB MET 1 -10.711 9.119 -8.549 7 HG2 MET 1 2HG MET 1 -7.861 8.392 -7.839 8 HG3 MET 1 1HG MET 1 -8.318 8.948 -9.447 9 HE1 MET 1 2HE MET 1 -6.222 10.179 -7.418 10 HE2 MET 1 3HE MET 1 -6.482 11.913 -7.577 11 HE3 MET 1 1HE MET 1 -6.464 10.878 -9.015 12 H ASP 2 H ASP 2 -11.489 9.089 -4.740 13 HA ASP 2 HA ASP 2 -13.692 9.292 -4.013 14 HB2 ASP 2 2HB ASP 2 -13.735 10.042 -6.549 15 HB3 ASP 2 1HB ASP 2 -14.676 8.569 -6.758 16 H ARG 3 H ARG 3 -14.253 6.752 -6.485 17 HA ARG 3 HA ARG 3 -15.493 5.046 -4.421 18 HB2 ARG 3 2HB ARG 3 -16.079 3.646 -6.406 19 HB3 ARG 3 1HB ARG 3 -16.576 5.322 -6.592 20 HG2 ARG 3 2HG ARG 3 -13.890 4.984 -7.620 21 HG3 ARG 3 1HG ARG 3 -14.966 3.795 -8.351 22 HD2 ARG 3 2HD ARG 3 -16.556 5.996 -8.507 23 HD3 ARG 3 1HD ARG 3 -14.957 6.754 -8.640 24 HE ARG 3 HE ARG 3 -14.476 5.151 -10.514 25 HH11 ARG 3 1HH1 ARG 3 -16.940 7.036 -10.995 26 HH12 ARG 3 2HH1 ARG 3 -17.992 5.940 -11.824 27 HH21 ARG 3 1HH2 ARG 3 -16.166 3.110 -10.930 28 HH22 ARG 3 2HH2 ARG 3 -17.550 3.699 -11.785 29 H GLU 4 H GLU 4 -13.213 5.041 -3.402 30 HA GLU 4 HA GLU 4 -11.920 2.458 -3.999 31 HB2 GLU 4 2HB GLU 4 -10.858 3.974 -5.579 32 HB3 GLU 4 1HB GLU 4 -10.585 5.164 -4.312 33 HG2 GLU 4 2HG GLU 4 -9.301 3.047 -3.216 34 HG3 GLU 4 1HG GLU 4 -9.085 2.674 -4.928 35 H MET 5 H MET 5 -11.250 5.538 -2.259 36 HA MET 5 HA MET 5 -9.967 4.537 0.020 37 HB2 MET 5 2HB MET 5 -10.711 6.636 1.084 38 HB3 MET 5 1HB MET 5 -10.169 6.905 -0.569 39 HG2 MET 5 2HG MET 5 -12.725 6.574 -1.151 40 HG3 MET 5 1HG MET 5 -12.959 6.975 0.548 41 HE1 MET 5 3HE MET 5 -13.428 9.130 1.275 42 HE2 MET 5 1HE MET 5 -12.448 10.567 0.930 43 HE3 MET 5 2HE MET 5 -11.713 9.146 1.666 44 H ALA 6 H ALA 6 -13.443 4.459 -0.651 45 HA ALA 6 HA ALA 6 -14.411 3.973 2.000 46 HB1 ALA 6 1HB ALA 6 -15.449 3.110 -0.717 47 HB2 ALA 6 2HB ALA 6 -15.801 4.640 0.088 48 HB3 ALA 6 3HB ALA 6 -16.395 3.126 0.771 49 H ALA 7 H ALA 7 -13.541 1.655 -0.613 50 HA ALA 7 HA ALA 7 -13.438 -0.518 1.460 51 HB1 ALA 7 1HB ALA 7 -15.230 -0.645 -0.295 52 HB2 ALA 7 2HB ALA 7 -14.124 -2.018 -0.327 53 HB3 ALA 7 3HB ALA 7 -13.965 -0.729 -1.520 54 H SER 8 H SER 8 -12.033 0.349 -1.736 55 HA SER 8 HA SER 8 -9.658 -1.302 -1.322 56 HB2 SER 8 2HB SER 8 -11.003 -0.138 -3.458 57 HB3 SER 8 1HB SER 8 -9.531 0.817 -3.350 58 HG SER 8 HG SER 8 -9.252 -1.051 -4.641 59 H ALA 9 H ALA 9 -7.507 0.157 -2.024 60 HA ALA 9 HA ALA 9 -5.924 1.768 -1.422 61 HB1 ALA 9 1HB ALA 9 -6.671 3.882 -0.905 62 HB2 ALA 9 2HB ALA 9 -7.892 3.296 0.223 63 HB3 ALA 9 3HB ALA 9 -8.175 3.194 -1.514 64 H GLY 10 H GLY 10 -8.153 1.170 1.364 65 HA2 GLY 10 2HA GLY 10 -6.338 1.511 3.466 66 HA3 GLY 10 1HA GLY 10 -7.677 0.367 3.517 67 H GLY 11 H GLY 11 -7.019 -1.593 1.783 68 HA2 GLY 11 2HA GLY 11 -5.017 -3.119 3.134 69 HA3 GLY 11 1HA GLY 11 -5.708 -3.527 1.563 70 H ALA 12 H ALA 12 -4.910 -1.216 0.125 71 HA ALA 12 HA ALA 12 -2.268 -1.897 -0.727 72 HB1 ALA 12 1HB ALA 12 -3.657 0.770 -1.076 73 HB2 ALA 12 2HB ALA 12 -4.141 -0.676 -1.965 74 HB3 ALA 12 3HB ALA 12 -2.523 -0.009 -2.178 75 H VAL 13 H VAL 13 -3.422 0.511 1.637 76 HA VAL 13 HA VAL 13 -0.924 1.935 1.927 77 HB VAL 13 HB VAL 13 -3.316 1.543 3.764 78 HG11 VAL 13 1HG1 VAL 13 -1.274 2.251 5.014 79 HG12 VAL 13 2HG1 VAL 13 -2.519 3.499 4.995 80 HG13 VAL 13 3HG1 VAL 13 -1.121 3.635 3.929 81 HG21 VAL 13 3HG2 VAL 13 -4.306 3.270 2.653 82 HG22 VAL 13 1HG2 VAL 13 -3.193 2.852 1.353 83 HG23 VAL 13 2HG2 VAL 13 -2.790 4.151 2.474 84 H PHE 14 H PHE 14 -2.406 -0.773 3.772 85 HA PHE 14 HA PHE 14 -0.190 -1.070 5.612 86 HB2 PHE 14 2HB PHE 14 -2.684 -1.896 5.683 87 HB3 PHE 14 1HB PHE 14 -2.053 -3.301 4.822 88 HD1 PHE 14 1HD PHE 14 -0.209 -4.673 5.848 89 HD2 PHE 14 2HD PHE 14 -2.230 -1.560 8.014 90 HE1 PHE 14 1HE PHE 14 0.654 -5.595 7.981 91 HE2 PHE 14 2HE PHE 14 -1.368 -2.485 10.146 92 HZ PHE 14 HZ PHE 14 0.074 -4.502 10.129 93 H VAL 15 H VAL 15 -1.116 -2.845 2.627 94 HA VAL 15 HA VAL 15 1.143 -4.636 2.618 95 HB VAL 15 HB VAL 15 -0.718 -3.583 0.459 96 HG11 VAL 15 1HG1 VAL 15 0.056 -5.688 -0.781 97 HG12 VAL 15 2HG1 VAL 15 1.421 -5.721 0.335 98 HG13 VAL 15 3HG1 VAL 15 1.196 -4.344 -0.744 99 HG21 VAL 15 3HG2 VAL 15 -1.466 -5.084 2.485 100 HG22 VAL 15 1HG2 VAL 15 -0.662 -6.372 1.588 101 HG23 VAL 15 2HG2 VAL 15 -2.008 -5.497 0.859 102 H GLY 16 H GLY 16 0.566 -1.461 1.073 103 HA2 GLY 16 2HA GLY 16 3.058 -1.271 -0.319 104 HA3 GLY 16 1HA GLY 16 2.036 0.096 0.134 105 H LEU 17 H LEU 17 2.066 -0.330 2.974 106 HA LEU 17 HA LEU 17 4.430 1.075 3.764 107 HB2 LEU 17 2HB LEU 17 2.276 1.075 4.976 108 HB3 LEU 17 1HB LEU 17 2.486 -0.631 5.359 109 HG LEU 17 HG LEU 17 4.846 0.838 6.154 110 HD11 LEU 17 1HD1 LEU 17 3.877 2.273 7.868 111 HD12 LEU 17 2HD1 LEU 17 2.248 1.789 7.397 112 HD13 LEU 17 3HD1 LEU 17 3.239 2.745 6.293 113 HD21 LEU 17 3HD2 LEU 17 4.196 -1.336 7.065 114 HD22 LEU 17 1HD2 LEU 17 2.685 -0.661 7.676 115 HD23 LEU 17 2HD2 LEU 17 4.225 -0.149 8.368 116 H VAL 18 H VAL 18 3.573 -2.399 3.984 117 HA VAL 18 HA VAL 18 5.961 -3.280 5.323 118 HB VAL 18 HB VAL 18 3.992 -4.640 3.445 119 HG11 VAL 18 1HG1 VAL 18 6.356 -5.709 4.956 120 HG12 VAL 18 2HG1 VAL 18 5.767 -6.142 3.352 121 HG13 VAL 18 3HG1 VAL 18 4.919 -6.717 4.787 122 HG21 VAL 18 3HG2 VAL 18 2.918 -5.419 5.439 123 HG22 VAL 18 1HG2 VAL 18 3.211 -3.699 5.694 124 HG23 VAL 18 2HG2 VAL 18 4.263 -4.893 6.451 125 H LEU 19 H LEU 19 5.119 -2.909 1.881 126 HA LEU 19 HA LEU 19 7.569 -3.988 0.791 127 HB2 LEU 19 2HB LEU 19 5.163 -2.507 -0.112 128 HB3 LEU 19 1HB LEU 19 6.596 -2.264 -1.103 129 HG LEU 19 HG LEU 19 5.237 -4.149 -1.928 130 HD11 LEU 19 1HD1 LEU 19 7.703 -5.376 -0.723 131 HD12 LEU 19 2HD1 LEU 19 7.846 -4.094 -1.924 132 HD13 LEU 19 3HD1 LEU 19 7.023 -5.599 -2.334 133 HD21 LEU 19 3HD2 LEU 19 5.123 -6.231 -0.547 134 HD22 LEU 19 1HD2 LEU 19 4.233 -4.889 0.171 135 HD23 LEU 19 2HD2 LEU 19 5.815 -5.339 0.807 136 H LEU 20 H LEU 20 6.476 -0.678 1.574 137 HA LEU 20 HA LEU 20 8.744 0.749 0.583 138 HB2 LEU 20 2HB LEU 20 6.400 1.527 1.405 139 HB3 LEU 20 1HB LEU 20 7.140 1.555 3.005 140 HG LEU 20 HG LEU 20 8.958 3.027 2.050 141 HD11 LEU 20 1HD1 LEU 20 8.216 4.248 -0.089 142 HD12 LEU 20 2HD1 LEU 20 7.104 2.901 -0.337 143 HD13 LEU 20 3HD1 LEU 20 8.844 2.613 -0.290 144 HD21 LEU 20 3HD2 LEU 20 7.111 3.997 3.330 145 HD22 LEU 20 1HD2 LEU 20 6.092 4.018 1.890 146 HD23 LEU 20 2HD2 LEU 20 7.511 5.060 1.982 147 H THR 21 H THR 21 8.163 -0.850 3.723 148 HA THR 21 HA THR 21 10.512 0.197 5.052 149 HB THR 21 HB THR 21 8.808 -2.284 5.482 150 HG1 THR 21 1HG THR 21 7.551 -0.613 5.949 151 HG21 THR 21 3HG2 THR 21 10.735 -2.801 6.697 152 HG22 THR 21 1HG2 THR 21 9.765 -1.943 7.893 153 HG23 THR 21 2HG2 THR 21 11.079 -1.111 7.063 154 H LEU 22 H LEU 22 9.931 -2.576 2.915 155 HA LEU 22 HA LEU 22 12.408 -3.970 3.417 156 HB2 LEU 22 2HB LEU 22 10.361 -3.917 1.194 157 HB3 LEU 22 1HB LEU 22 11.787 -4.947 1.102 158 HG LEU 22 HG LEU 22 10.083 -5.009 3.576 159 HD11 LEU 22 1HD1 LEU 22 8.540 -6.524 2.645 160 HD12 LEU 22 2HD1 LEU 22 9.545 -6.820 1.225 161 HD13 LEU 22 3HD1 LEU 22 8.694 -5.286 1.400 162 HD21 LEU 22 3HD2 LEU 22 11.703 -7.105 2.088 163 HD22 LEU 22 1HD2 LEU 22 10.933 -7.314 3.661 164 HD23 LEU 22 2HD2 LEU 22 12.277 -6.187 3.480 165 H SER 23 H SER 23 11.412 -1.887 0.660 166 HA SER 23 HA SER 23 12.642 -0.523 -0.788 167 HB2 SER 23 2HB SER 23 13.441 0.068 1.704 168 HB3 SER 23 1HB SER 23 14.971 -0.531 1.075 169 HG SER 23 HG SER 23 15.129 1.277 0.006 170 HA PRO 24 HA PRO 24 15.163 -3.926 -2.467 171 HB2 PRO 24 2HB PRO 24 14.293 -3.673 -5.044 172 HB3 PRO 24 1HB PRO 24 13.387 -4.557 -3.803 173 HG2 PRO 24 2HG PRO 24 12.854 -1.922 -4.988 174 HG3 PRO 24 1HG PRO 24 11.740 -3.089 -4.268 175 HD2 PRO 24 2HD PRO 24 12.734 -0.743 -3.073 176 HD3 PRO 24 1HD PRO 24 11.810 -2.039 -2.281 177 H HIS 25 H HIS 25 16.603 -1.795 -1.821 178 HA HIS 25 HA HIS 25 18.384 -0.393 -2.395 179 HB2 HIS 25 2HB HIS 25 18.242 -2.440 -4.601 180 HB3 HIS 25 1HB HIS 25 19.434 -1.145 -4.685 181 HD1 HIS 25 1HD HIS 25 18.296 -3.842 -2.231 182 HD2 HIS 25 2HD HIS 25 21.707 -1.641 -3.187 183 HE1 HIS 25 1HE HIS 25 20.164 -4.753 -0.788 184 H TYR 26 H TYR 26 15.783 0.648 -2.935 185 HA TYR 26 HA TYR 26 16.269 2.286 -5.403 186 HB2 TYR 26 2HB TYR 26 13.994 0.712 -4.423 187 HB3 TYR 26 1HB TYR 26 13.544 2.368 -4.826 188 HD1 TYR 26 1HD TYR 26 14.285 3.293 -7.112 189 HD2 TYR 26 2HD TYR 26 14.327 -0.889 -6.129 190 HE1 TYR 26 1HE TYR 26 14.329 2.725 -9.525 191 HE2 TYR 26 2HE TYR 26 14.372 -1.457 -8.542 192 HH TYR 26 HH TYR 26 13.473 0.289 -10.859 193 H LYS 27 H LYS 27 17.334 3.968 -4.229 194 HA LYS 27 HA LYS 27 15.515 5.718 -2.662 195 HB2 LYS 27 2HB LYS 27 16.889 4.003 -1.243 196 HB3 LYS 27 1HB LYS 27 18.258 5.054 -1.600 197 HG2 LYS 27 2HG LYS 27 15.951 6.616 -0.776 198 HG3 LYS 27 1HG LYS 27 16.353 5.404 0.437 199 HD2 LYS 27 2HD LYS 27 17.727 7.175 1.077 200 HD3 LYS 27 1HD LYS 27 18.817 6.230 0.064 201 HE2 LYS 27 2HE LYS 27 18.688 7.741 -1.725 202 HE3 LYS 27 1HE LYS 27 17.136 8.406 -1.181 203 HZ1 LYS 27 3HZ LYS 27 18.995 9.895 -0.662 204 HZ2 LYS 27 1HZ LYS 27 19.714 8.683 0.280 205 HZ3 LYS 27 2HZ LYS 27 18.219 9.347 0.746 Start of MODEL 14 1 H1 MET 1 1HT MET 1 -21.011 -2.658 6.788 2 H2 MET 1 2HT MET 1 -19.362 -2.975 6.543 3 H3 MET 1 3HT MET 1 -20.454 -4.259 6.749 4 HA MET 1 HA MET 1 -19.947 -4.129 4.428 5 HB2 MET 1 2HB MET 1 -22.329 -4.450 5.382 6 HB3 MET 1 1HB MET 1 -22.630 -2.793 4.860 7 HG2 MET 1 2HG MET 1 -21.901 -3.447 2.551 8 HG3 MET 1 1HG MET 1 -21.788 -5.118 3.106 9 HE1 MET 1 2HE MET 1 -23.512 -5.365 0.873 10 HE2 MET 1 3HE MET 1 -23.501 -3.605 0.794 11 HE3 MET 1 1HE MET 1 -25.037 -4.488 0.803 12 H ASP 2 H ASP 2 -18.251 -2.437 4.307 13 HA ASP 2 HA ASP 2 -19.168 -0.084 2.778 14 HB2 ASP 2 2HB ASP 2 -17.822 1.412 4.355 15 HB3 ASP 2 1HB ASP 2 -19.330 0.782 5.005 16 H ARG 3 H ARG 3 -17.566 0.584 1.310 17 HA ARG 3 HA ARG 3 -14.957 -0.883 1.444 18 HB2 ARG 3 2HB ARG 3 -15.049 -0.907 -1.005 19 HB3 ARG 3 1HB ARG 3 -16.515 -1.611 -0.335 20 HG2 ARG 3 2HG ARG 3 -17.848 0.120 -1.058 21 HG3 ARG 3 1HG ARG 3 -16.565 1.321 -0.906 22 HD2 ARG 3 2HD ARG 3 -16.619 -0.830 -3.055 23 HD3 ARG 3 1HD ARG 3 -17.159 0.842 -3.302 24 HE ARG 3 HE ARG 3 -14.652 1.176 -2.205 25 HH11 ARG 3 1HH2 ARG 3 -14.121 -1.570 -3.443 26 HH12 ARG 3 2HH2 ARG 3 -13.460 -1.122 -4.979 27 HH21 ARG 3 1HH1 ARG 3 -14.578 2.178 -4.772 28 HH22 ARG 3 2HH1 ARG 3 -13.722 1.024 -5.743 29 H GLU 4 H GLU 4 -13.281 0.310 -0.025 30 HA GLU 4 HA GLU 4 -11.865 2.144 -0.344 31 HB2 GLU 4 2HB GLU 4 -14.611 3.040 -0.792 32 HB3 GLU 4 1HB GLU 4 -13.549 4.358 -0.302 33 HG2 GLU 4 2HG GLU 4 -11.963 3.790 -2.069 34 HG3 GLU 4 1HG GLU 4 -12.944 2.403 -2.538 35 H MET 5 H MET 5 -12.840 1.346 2.513 36 HA MET 5 HA MET 5 -11.652 3.714 3.892 37 HB2 MET 5 2HB MET 5 -14.326 2.380 4.294 38 HB3 MET 5 1HB MET 5 -13.503 3.085 5.685 39 HG2 MET 5 2HG MET 5 -13.350 5.247 4.504 40 HG3 MET 5 1HG MET 5 -14.181 4.547 3.115 41 HE1 MET 5 3HE MET 5 -15.205 6.861 3.716 42 HE2 MET 5 1HE MET 5 -15.141 7.151 5.463 43 HE3 MET 5 2HE MET 5 -16.692 7.014 4.643 44 H ALA 6 H ALA 6 -13.056 0.515 4.707 45 HA ALA 6 HA ALA 6 -11.085 -0.167 6.691 46 HB1 ALA 6 1HB ALA 6 -13.415 -1.085 6.436 47 HB2 ALA 6 2HB ALA 6 -12.189 -2.341 6.599 48 HB3 ALA 6 3HB ALA 6 -12.865 -1.968 5.013 49 H ALA 7 H ALA 7 -11.451 -1.045 3.237 50 HA ALA 7 HA ALA 7 -8.923 -2.559 3.194 51 HB1 ALA 7 1HB ALA 7 -10.820 -1.710 0.982 52 HB2 ALA 7 2HB ALA 7 -10.948 -3.210 1.903 53 HB3 ALA 7 3HB ALA 7 -9.557 -2.935 0.854 54 H SER 8 H SER 8 -9.997 0.721 2.470 55 HA SER 8 HA SER 8 -7.811 1.452 0.707 56 HB2 SER 8 2HB SER 8 -10.009 2.611 0.849 57 HB3 SER 8 1HB SER 8 -9.618 3.129 2.483 58 HG SER 8 HG SER 8 -9.074 4.760 1.030 59 H ALA 9 H ALA 9 -8.451 2.047 4.193 60 HA ALA 9 HA ALA 9 -5.727 3.099 4.609 61 HB1 ALA 9 1HB ALA 9 -7.808 4.000 5.693 62 HB2 ALA 9 2HB ALA 9 -6.559 3.544 6.849 63 HB3 ALA 9 3HB ALA 9 -7.946 2.485 6.586 64 H GLY 10 H GLY 10 -7.642 0.301 5.839 65 HA2 GLY 10 2HA GLY 10 -5.126 -0.949 6.802 66 HA3 GLY 10 1HA GLY 10 -6.755 -1.485 7.200 67 H GLY 11 H GLY 11 -5.090 -0.914 4.065 68 HA2 GLY 11 2HA GLY 11 -5.186 -3.769 3.418 69 HA3 GLY 11 1HA GLY 11 -6.309 -2.786 2.482 70 H ALA 12 H ALA 12 -5.430 -1.169 1.034 71 HA ALA 12 HA ALA 12 -3.077 -1.951 -0.394 72 HB1 ALA 12 1HB ALA 12 -3.581 -0.104 -1.769 73 HB2 ALA 12 2HB ALA 12 -4.249 0.827 -0.430 74 HB3 ALA 12 3HB ALA 12 -5.146 -0.544 -1.085 75 H VAL 13 H VAL 13 -3.559 0.777 1.899 76 HA VAL 13 HA VAL 13 -0.878 1.800 1.746 77 HB VAL 13 HB VAL 13 -3.059 1.921 3.855 78 HG11 VAL 13 1HG1 VAL 13 -1.113 2.371 5.123 79 HG12 VAL 13 2HG1 VAL 13 -1.682 3.968 4.640 80 HG13 VAL 13 3HG1 VAL 13 -0.331 3.219 3.788 81 HG21 VAL 13 3HG2 VAL 13 -3.573 3.046 1.739 82 HG22 VAL 13 1HG2 VAL 13 -2.029 3.896 1.790 83 HG23 VAL 13 2HG2 VAL 13 -3.271 4.251 2.990 84 H PHE 14 H PHE 14 -2.390 -0.632 3.891 85 HA PHE 14 HA PHE 14 -0.166 -1.080 5.634 86 HB2 PHE 14 2HB PHE 14 -2.441 -1.859 6.090 87 HB3 PHE 14 1HB PHE 14 -2.402 -2.896 4.665 88 HD1 PHE 14 1HD PHE 14 -0.696 -2.289 7.940 89 HD2 PHE 14 2HD PHE 14 -1.553 -5.095 4.801 90 HE1 PHE 14 1HE PHE 14 0.322 -4.107 9.285 91 HE2 PHE 14 2HE PHE 14 -0.537 -6.910 6.146 92 HZ PHE 14 HZ PHE 14 0.402 -6.417 8.388 93 H VAL 15 H VAL 15 -1.160 -2.863 2.668 94 HA VAL 15 HA VAL 15 1.099 -4.633 2.572 95 HB VAL 15 HB VAL 15 -0.785 -3.530 0.456 96 HG11 VAL 15 1HG1 VAL 15 1.301 -5.722 0.265 97 HG12 VAL 15 2HG1 VAL 15 1.156 -4.286 -0.748 98 HG13 VAL 15 3HG1 VAL 15 -0.045 -5.572 -0.865 99 HG21 VAL 15 3HG2 VAL 15 -1.623 -5.000 2.400 100 HG22 VAL 15 1HG2 VAL 15 -0.698 -6.306 1.658 101 HG23 VAL 15 2HG2 VAL 15 -2.016 -5.543 0.770 102 H GLY 16 H GLY 16 0.524 -1.428 1.085 103 HA2 GLY 16 2HA GLY 16 2.978 -1.235 -0.360 104 HA3 GLY 16 1HA GLY 16 1.994 0.135 0.158 105 H LEU 17 H LEU 17 2.114 -0.319 2.979 106 HA LEU 17 HA LEU 17 4.564 0.999 3.678 107 HB2 LEU 17 2HB LEU 17 2.113 0.261 4.897 108 HB3 LEU 17 1HB LEU 17 3.384 -0.434 5.898 109 HG LEU 17 HG LEU 17 3.586 2.416 4.949 110 HD11 LEU 17 1HD1 LEU 17 1.358 2.008 6.101 111 HD12 LEU 17 2HD1 LEU 17 2.404 3.190 6.887 112 HD13 LEU 17 3HD1 LEU 17 2.275 1.557 7.540 113 HD21 LEU 17 3HD2 LEU 17 4.567 1.004 7.452 114 HD22 LEU 17 1HD2 LEU 17 4.999 2.630 6.925 115 HD23 LEU 17 2HD2 LEU 17 5.538 1.230 5.998 116 H VAL 18 H VAL 18 3.568 -2.433 3.946 117 HA VAL 18 HA VAL 18 5.894 -3.419 5.297 118 HB VAL 18 HB VAL 18 3.902 -4.632 3.349 119 HG11 VAL 18 1HG1 VAL 18 5.544 -6.223 3.089 120 HG12 VAL 18 2HG1 VAL 18 4.859 -6.804 4.605 121 HG13 VAL 18 3HG1 VAL 18 6.326 -5.826 4.618 122 HG21 VAL 18 3HG2 VAL 18 2.898 -5.575 5.335 123 HG22 VAL 18 1HG2 VAL 18 3.150 -3.857 5.643 124 HG23 VAL 18 2HG2 VAL 18 4.251 -5.047 6.334 125 H LEU 19 H LEU 19 5.168 -2.979 1.831 126 HA LEU 19 HA LEU 19 7.686 -4.032 0.850 127 HB2 LEU 19 2HB LEU 19 5.318 -3.594 -0.258 128 HB3 LEU 19 1HB LEU 19 6.008 -2.011 -0.612 129 HG LEU 19 HG LEU 19 7.624 -4.457 -1.247 130 HD11 LEU 19 1HD1 LEU 19 5.418 -3.353 -3.014 131 HD12 LEU 19 2HD1 LEU 19 5.357 -4.898 -2.165 132 HD13 LEU 19 3HD1 LEU 19 6.549 -4.636 -3.439 133 HD21 LEU 19 3HD2 LEU 19 8.006 -2.781 -3.289 134 HD22 LEU 19 1HD2 LEU 19 8.847 -2.551 -1.756 135 HD23 LEU 19 2HD2 LEU 19 7.410 -1.598 -2.125 136 H LEU 20 H LEU 20 6.446 -0.753 1.564 137 HA LEU 20 HA LEU 20 8.666 0.775 0.635 138 HB2 LEU 20 2HB LEU 20 6.315 1.488 1.380 139 HB3 LEU 20 1HB LEU 20 6.935 1.421 3.029 140 HG LEU 20 HG LEU 20 8.806 2.976 2.251 141 HD11 LEU 20 1HD1 LEU 20 8.054 4.386 0.230 142 HD12 LEU 20 2HD1 LEU 20 6.985 3.039 -0.160 143 HD13 LEU 20 3HD1 LEU 20 8.732 2.794 -0.113 144 HD21 LEU 20 3HD2 LEU 20 5.932 3.950 2.141 145 HD22 LEU 20 1HD2 LEU 20 7.341 4.983 2.377 146 HD23 LEU 20 2HD2 LEU 20 6.917 3.781 3.595 147 H THR 21 H THR 21 8.163 -0.927 3.728 148 HA THR 21 HA THR 21 10.319 0.243 5.207 149 HB THR 21 HB THR 21 8.895 -2.434 5.289 150 HG1 THR 21 1HG THR 21 7.563 -0.885 5.978 151 HG21 THR 21 3HG2 THR 21 9.861 -2.623 7.612 152 HG22 THR 21 1HG2 THR 21 10.965 -1.312 7.197 153 HG23 THR 21 2HG2 THR 21 11.040 -2.841 6.319 154 H LEU 22 H LEU 22 10.239 -2.536 2.953 155 HA LEU 22 HA LEU 22 13.240 -2.628 3.070 156 HB2 LEU 22 2HB LEU 22 11.360 -4.583 3.677 157 HB3 LEU 22 1HB LEU 22 11.812 -4.981 2.025 158 HG LEU 22 HG LEU 22 13.253 -6.168 3.606 159 HD11 LEU 22 1HD1 LEU 22 14.176 -5.233 1.426 160 HD12 LEU 22 2HD1 LEU 22 15.371 -5.611 2.666 161 HD13 LEU 22 3HD1 LEU 22 14.889 -3.938 2.388 162 HD21 LEU 22 3HD2 LEU 22 13.042 -4.494 5.459 163 HD22 LEU 22 1HD2 LEU 22 14.136 -3.430 4.574 164 HD23 LEU 22 2HD2 LEU 22 14.707 -4.991 5.161 165 H SER 23 H SER 23 12.152 -0.736 1.374 166 HA SER 23 HA SER 23 12.075 -1.987 -1.345 167 HB2 SER 23 2HB SER 23 10.292 -0.357 -0.287 168 HB3 SER 23 1HB SER 23 11.450 0.886 -0.740 169 HG SER 23 HG SER 23 9.705 -0.420 -2.278 170 HA PRO 24 HA PRO 24 16.197 -0.193 -1.675 171 HB2 PRO 24 2HB PRO 24 16.897 -1.481 -3.982 172 HB3 PRO 24 1HB PRO 24 16.935 -2.265 -2.391 173 HG2 PRO 24 2HG PRO 24 14.991 -2.559 -4.588 174 HG3 PRO 24 1HG PRO 24 15.496 -3.723 -3.355 175 HD2 PRO 24 2HD PRO 24 13.124 -2.258 -3.354 176 HD3 PRO 24 1HD PRO 24 13.814 -3.137 -1.973 177 H HIS 25 H HIS 25 15.454 1.971 -2.151 178 HA HIS 25 HA HIS 25 14.853 2.553 -5.034 179 HB2 HIS 25 2HB HIS 25 13.304 3.011 -2.898 180 HB3 HIS 25 1HB HIS 25 14.271 4.484 -2.833 181 HD1 HIS 25 1HD HIS 25 14.483 5.668 -5.385 182 HD2 HIS 25 2HD HIS 25 11.145 3.302 -4.580 183 HE1 HIS 25 1HE HIS 25 12.719 6.312 -7.087 184 H TYR 26 H TYR 26 17.607 2.373 -3.639 185 HA TYR 26 HA TYR 26 18.516 5.201 -3.889 186 HB2 TYR 26 2HB TYR 26 18.999 3.433 -1.964 187 HB3 TYR 26 1HB TYR 26 20.262 2.897 -3.072 188 HD1 TYR 26 1HD TYR 26 22.066 4.451 -3.775 189 HD2 TYR 26 2HD TYR 26 19.129 5.566 -0.844 190 HE1 TYR 26 1HE TYR 26 23.494 6.352 -3.065 191 HE2 TYR 26 2HE TYR 26 20.555 7.465 -0.136 192 HH TYR 26 HH TYR 26 22.656 8.858 -1.675 193 H LYS 27 H LYS 27 18.183 5.072 -6.270 194 HA LYS 27 HA LYS 27 18.962 4.886 -8.459 195 HB2 LYS 27 2HB LYS 27 20.943 5.804 -7.006 196 HB3 LYS 27 1HB LYS 27 21.660 4.220 -7.293 197 HG2 LYS 27 2HG LYS 27 22.488 5.476 -9.089 198 HG3 LYS 27 1HG LYS 27 21.083 4.681 -9.800 199 HD2 LYS 27 2HD LYS 27 19.728 6.727 -9.229 200 HD3 LYS 27 1HD LYS 27 21.228 7.518 -8.743 201 HE2 LYS 27 2HE LYS 27 21.978 7.741 -10.910 202 HE3 LYS 27 1HE LYS 27 21.200 6.239 -11.445 203 HZ1 LYS 27 3HZ LYS 27 19.053 7.290 -11.294 204 HZ2 LYS 27 1HZ LYS 27 20.052 8.226 -12.293 205 HZ3 LYS 27 2HZ LYS 27 19.745 8.725 -10.698 Start of MODEL 15 1 H1 MET 1 1HT MET 1 2.587 -9.183 2.558 2 H2 MET 1 2HT MET 1 1.941 -9.093 0.987 3 H3 MET 1 3HT MET 1 2.516 -10.572 1.591 4 HA MET 1 HA MET 1 0.750 -10.648 3.235 5 HB2 MET 1 2HB MET 1 0.621 -7.844 2.348 6 HB3 MET 1 1HB MET 1 -0.963 -8.604 2.492 7 HG2 MET 1 2HG MET 1 -0.310 -9.386 4.790 8 HG3 MET 1 1HG MET 1 1.167 -8.433 4.641 9 HE1 MET 1 2HE MET 1 1.146 -5.925 5.768 10 HE2 MET 1 3HE MET 1 0.258 -4.878 4.667 11 HE3 MET 1 1HE MET 1 1.307 -6.156 4.031 12 H ASP 2 H ASP 2 -0.798 -12.076 2.542 13 HA ASP 2 HA ASP 2 -1.195 -12.557 -0.304 14 HB2 ASP 2 2HB ASP 2 -2.330 -13.689 2.264 15 HB3 ASP 2 1HB ASP 2 -2.823 -14.280 0.678 16 H ARG 3 H ARG 3 -3.511 -12.771 -1.177 17 HA ARG 3 HA ARG 3 -4.974 -10.255 -0.613 18 HB2 ARG 3 2HB ARG 3 -5.146 -12.390 -2.763 19 HB3 ARG 3 1HB ARG 3 -6.195 -10.973 -2.718 20 HG2 ARG 3 2HG ARG 3 -3.286 -10.431 -2.469 21 HG3 ARG 3 1HG ARG 3 -3.822 -11.031 -4.037 22 HD2 ARG 3 2HD ARG 3 -5.387 -8.817 -2.738 23 HD3 ARG 3 1HD ARG 3 -3.861 -8.432 -3.555 24 HE ARG 3 HE ARG 3 -5.988 -10.004 -4.961 25 HH11 ARG 3 1HH1 ARG 3 -6.336 -7.064 -5.189 26 HH12 ARG 3 2HH1 ARG 3 -5.424 -6.679 -6.607 27 HH21 ARG 3 1HH2 ARG 3 -3.664 -9.688 -6.600 28 HH22 ARG 3 2HH2 ARG 3 -3.896 -8.179 -7.415 29 H GLU 4 H GLU 4 -6.649 -13.201 -1.662 30 HA GLU 4 HA GLU 4 -8.562 -14.258 -0.809 31 HB2 GLU 4 2HB GLU 4 -6.425 -14.760 0.686 32 HB3 GLU 4 1HB GLU 4 -7.373 -13.918 1.911 33 HG2 GLU 4 2HG GLU 4 -9.302 -15.524 1.034 34 HG3 GLU 4 1HG GLU 4 -7.933 -16.520 0.541 35 H MET 5 H MET 5 -8.731 -11.277 -0.921 36 HA MET 5 HA MET 5 -10.151 -9.546 -0.233 37 HB2 MET 5 2HB MET 5 -11.547 -11.936 -0.337 38 HB3 MET 5 1HB MET 5 -11.972 -11.306 1.252 39 HG2 MET 5 2HG MET 5 -12.011 -9.245 -0.836 40 HG3 MET 5 1HG MET 5 -13.153 -10.553 -1.137 41 HE1 MET 5 3HE MET 5 -15.326 -7.701 0.375 42 HE2 MET 5 1HE MET 5 -14.883 -8.640 -1.062 43 HE3 MET 5 2HE MET 5 -13.807 -7.383 -0.459 44 H ALA 6 H ALA 6 -7.948 -10.420 1.629 45 HA ALA 6 HA ALA 6 -9.093 -9.869 4.321 46 HB1 ALA 6 1HB ALA 6 -6.431 -10.815 3.237 47 HB2 ALA 6 2HB ALA 6 -7.578 -11.709 4.232 48 HB3 ALA 6 3HB ALA 6 -6.645 -10.388 4.934 49 H ALA 7 H ALA 7 -6.317 -8.683 2.354 50 HA ALA 7 HA ALA 7 -6.488 -6.063 3.788 51 HB1 ALA 7 1HB ALA 7 -4.191 -5.790 2.846 52 HB2 ALA 7 2HB ALA 7 -4.350 -7.364 2.068 53 HB3 ALA 7 3HB ALA 7 -4.344 -7.246 3.828 54 H SER 8 H SER 8 -8.301 -5.280 2.572 55 HA SER 8 HA SER 8 -7.713 -4.588 -0.294 56 HB2 SER 8 2HB SER 8 -10.360 -5.169 1.075 57 HB3 SER 8 1HB SER 8 -10.155 -4.767 -0.625 58 HG SER 8 HG SER 8 -10.157 -7.132 0.336 59 H ALA 9 H ALA 9 -7.524 -2.418 -0.592 60 HA ALA 9 HA ALA 9 -7.756 -0.111 -0.370 61 HB1 ALA 9 1HB ALA 9 -10.198 -0.772 1.310 62 HB2 ALA 9 2HB ALA 9 -10.190 -0.798 -0.452 63 HB3 ALA 9 3HB ALA 9 -9.888 0.710 0.407 64 H GLY 10 H GLY 10 -8.992 -1.134 2.858 65 HA2 GLY 10 2HA GLY 10 -7.278 0.753 4.236 66 HA3 GLY 10 1HA GLY 10 -8.234 -0.525 5.003 67 H GLY 11 H GLY 11 -7.288 -2.808 3.913 68 HA2 GLY 11 2HA GLY 11 -4.779 -3.231 5.253 69 HA3 GLY 11 1HA GLY 11 -5.579 -4.390 4.190 70 H ALA 12 H ALA 12 -5.677 -2.619 1.868 71 HA ALA 12 HA ALA 12 -3.231 -3.237 0.566 72 HB1 ALA 12 1HB ALA 12 -4.083 -1.694 -1.159 73 HB2 ALA 12 2HB ALA 12 -5.229 -1.023 0.001 74 HB3 ALA 12 3HB ALA 12 -5.387 -2.699 -0.527 75 H VAL 13 H VAL 13 -4.226 -0.273 2.300 76 HA VAL 13 HA VAL 13 -2.021 1.407 1.604 77 HB VAL 13 HB VAL 13 -3.736 1.223 4.111 78 HG11 VAL 13 1HG1 VAL 13 -1.965 3.492 3.144 79 HG12 VAL 13 2HG1 VAL 13 -1.672 2.495 4.569 80 HG13 VAL 13 3HG1 VAL 13 -3.070 3.568 4.516 81 HG21 VAL 13 3HG2 VAL 13 -4.484 1.857 1.537 82 HG22 VAL 13 1HG2 VAL 13 -4.094 3.443 2.201 83 HG23 VAL 13 2HG2 VAL 13 -5.304 2.430 2.988 84 H PHE 14 H PHE 14 -2.406 -1.053 4.164 85 HA PHE 14 HA PHE 14 0.197 -0.552 5.372 86 HB2 PHE 14 2HB PHE 14 -2.044 -1.709 6.249 87 HB3 PHE 14 1HB PHE 14 -1.241 -3.163 5.649 88 HD1 PHE 14 1HD PHE 14 -1.055 -0.386 8.077 89 HD2 PHE 14 2HD PHE 14 0.823 -3.979 6.655 90 HE1 PHE 14 1HE PHE 14 0.391 -0.428 10.087 91 HE2 PHE 14 2HE PHE 14 2.267 -4.020 8.667 92 HZ PHE 14 HZ PHE 14 2.053 -2.243 10.385 93 H VAL 15 H VAL 15 -1.022 -2.721 2.819 94 HA VAL 15 HA VAL 15 1.216 -4.505 2.660 95 HB VAL 15 HB VAL 15 -0.750 -3.468 0.583 96 HG11 VAL 15 1HG1 VAL 15 0.818 -4.355 -0.853 97 HG12 VAL 15 2HG1 VAL 15 -0.018 -5.846 -0.421 98 HG13 VAL 15 3HG1 VAL 15 1.499 -5.423 0.373 99 HG21 VAL 15 3HG2 VAL 15 -1.423 -4.891 2.697 100 HG22 VAL 15 1HG2 VAL 15 -0.714 -6.224 1.787 101 HG23 VAL 15 2HG2 VAL 15 -2.072 -5.323 1.117 102 H GLY 16 H GLY 16 0.578 -1.369 1.046 103 HA2 GLY 16 2HA GLY 16 3.032 -1.278 -0.451 104 HA3 GLY 16 1HA GLY 16 2.017 0.116 -0.066 105 H LEU 17 H LEU 17 2.097 -0.144 2.789 106 HA LEU 17 HA LEU 17 4.454 1.323 3.477 107 HB2 LEU 17 2HB LEU 17 2.287 1.315 4.701 108 HB3 LEU 17 1HB LEU 17 2.575 -0.354 5.185 109 HG LEU 17 HG LEU 17 4.903 1.119 5.896 110 HD11 LEU 17 1HD1 LEU 17 2.454 2.381 7.129 111 HD12 LEU 17 2HD1 LEU 17 3.215 3.073 5.696 112 HD13 LEU 17 3HD1 LEU 17 4.128 2.931 7.197 113 HD21 LEU 17 3HD2 LEU 17 2.623 0.111 7.632 114 HD22 LEU 17 1HD2 LEU 17 4.285 0.397 8.149 115 HD23 LEU 17 2HD2 LEU 17 3.928 -0.898 7.007 116 H VAL 18 H VAL 18 3.634 -2.148 3.930 117 HA VAL 18 HA VAL 18 6.110 -2.912 5.194 118 HB VAL 18 HB VAL 18 4.016 -4.400 3.567 119 HG11 VAL 18 1HG1 VAL 18 6.579 -5.350 4.771 120 HG12 VAL 18 2HG1 VAL 18 5.712 -5.945 3.355 121 HG13 VAL 18 3HG1 VAL 18 5.160 -6.378 4.972 122 HG21 VAL 18 3HG2 VAL 18 3.282 -5.196 5.766 123 HG22 VAL 18 1HG2 VAL 18 3.326 -3.434 5.762 124 HG23 VAL 18 2HG2 VAL 18 4.617 -4.346 6.545 125 H LEU 19 H LEU 19 5.071 -2.737 1.789 126 HA LEU 19 HA LEU 19 7.354 -3.943 0.560 127 HB2 LEU 19 2HB LEU 19 5.066 -3.294 -0.399 128 HB3 LEU 19 1HB LEU 19 5.700 -1.653 -0.526 129 HG LEU 19 HG LEU 19 7.675 -2.703 -1.807 130 HD11 LEU 19 1HD1 LEU 19 7.316 -5.032 -1.267 131 HD12 LEU 19 2HD1 LEU 19 7.013 -4.833 -2.992 132 HD13 LEU 19 3HD1 LEU 19 5.660 -4.968 -1.870 133 HD21 LEU 19 3HD2 LEU 19 6.214 -2.880 -3.919 134 HD22 LEU 19 1HD2 LEU 19 6.123 -1.364 -3.022 135 HD23 LEU 19 2HD2 LEU 19 4.840 -2.565 -2.859 136 H LEU 20 H LEU 20 6.829 -0.746 1.930 137 HA LEU 20 HA LEU 20 9.192 0.493 0.718 138 HB2 LEU 20 2HB LEU 20 6.880 1.470 1.507 139 HB3 LEU 20 1HB LEU 20 7.650 1.525 3.090 140 HG LEU 20 HG LEU 20 9.618 2.620 1.567 141 HD11 LEU 20 1HD1 LEU 20 8.347 2.583 -0.498 142 HD12 LEU 20 2HD1 LEU 20 8.457 4.258 0.044 143 HD13 LEU 20 3HD1 LEU 20 6.966 3.350 0.289 144 HD21 LEU 20 3HD2 LEU 20 8.871 4.773 2.441 145 HD22 LEU 20 1HD2 LEU 20 8.560 3.531 3.653 146 HD23 LEU 20 2HD2 LEU 20 7.237 4.152 2.666 147 H THR 21 H THR 21 8.294 -0.879 3.905 148 HA THR 21 HA THR 21 10.785 -0.146 5.204 149 HB THR 21 HB THR 21 8.369 -0.775 6.100 150 HG1 THR 21 1HG THR 21 10.811 -1.451 7.390 151 HG21 THR 21 3HG2 THR 21 8.092 -2.991 6.879 152 HG22 THR 21 1HG2 THR 21 9.782 -3.401 6.578 153 HG23 THR 21 2HG2 THR 21 8.673 -3.182 5.225 154 H LEU 22 H LEU 22 9.994 -2.719 3.018 155 HA LEU 22 HA LEU 22 11.672 -4.825 3.912 156 HB2 LEU 22 2HB LEU 22 10.581 -3.863 1.289 157 HB3 LEU 22 1HB LEU 22 11.761 -5.173 1.286 158 HG LEU 22 HG LEU 22 9.374 -5.277 3.121 159 HD11 LEU 22 1HD1 LEU 22 8.862 -4.908 0.555 160 HD12 LEU 22 2HD1 LEU 22 7.979 -6.129 1.470 161 HD13 LEU 22 3HD1 LEU 22 9.324 -6.604 0.432 162 HD21 LEU 22 3HD2 LEU 22 11.177 -7.335 1.800 163 HD22 LEU 22 1HD2 LEU 22 9.771 -7.736 2.785 164 HD23 LEU 22 2HD2 LEU 22 11.146 -6.906 3.510 165 H SER 23 H SER 23 12.459 -2.279 1.503 166 HA SER 23 HA SER 23 14.480 -1.313 0.849 167 HB2 SER 23 2HB SER 23 15.532 -2.379 3.486 168 HB3 SER 23 1HB SER 23 16.136 -1.005 2.574 169 HG SER 23 HG SER 23 13.992 -0.070 2.925 170 HA PRO 24 HA PRO 24 16.028 -5.357 -0.670 171 HB2 PRO 24 2HB PRO 24 16.424 -4.529 -3.241 172 HB3 PRO 24 1HB PRO 24 14.854 -5.098 -2.633 173 HG2 PRO 24 2HG PRO 24 15.820 -2.313 -3.039 174 HG3 PRO 24 1HG PRO 24 14.225 -3.014 -3.360 175 HD2 PRO 24 2HD PRO 24 14.750 -1.502 -1.177 176 HD3 PRO 24 1HD PRO 24 13.539 -2.803 -1.187 177 H HIS 25 H HIS 25 17.337 -2.118 -0.992 178 HA HIS 25 HA HIS 25 20.114 -3.241 -0.885 179 HB2 HIS 25 2HB HIS 25 18.931 -1.022 -2.575 180 HB3 HIS 25 1HB HIS 25 20.669 -1.165 -2.308 181 HD1 HIS 25 1HD HIS 25 17.797 -2.799 -4.067 182 HD2 HIS 25 2HD HIS 25 21.882 -3.446 -3.553 183 HE1 HIS 25 1HE HIS 25 18.455 -4.577 -5.743 184 H TYR 26 H TYR 26 18.538 -0.008 -0.657 185 HA TYR 26 HA TYR 26 19.335 0.278 2.165 186 HB2 TYR 26 2HB TYR 26 21.276 0.811 0.413 187 HB3 TYR 26 1HB TYR 26 20.420 2.346 0.287 188 HD1 TYR 26 2HD TYR 26 20.133 3.799 2.284 189 HD2 TYR 26 1HD TYR 26 22.459 0.189 2.422 190 HE1 TYR 26 2HE TYR 26 21.164 4.544 4.413 191 HE2 TYR 26 1HE TYR 26 23.489 0.936 4.550 192 HH TYR 26 HH TYR 26 23.773 3.681 5.593 193 H LYS 27 H LYS 27 18.073 1.850 3.184 194 HA LYS 27 HA LYS 27 16.548 3.819 1.580 195 HB2 LYS 27 2HB LYS 27 15.330 1.570 1.669 196 HB3 LYS 27 1HB LYS 27 15.147 1.842 3.401 197 HG2 LYS 27 2HG LYS 27 13.161 2.744 2.579 198 HG3 LYS 27 1HG LYS 27 14.192 4.171 2.666 199 HD2 LYS 27 2HD LYS 27 14.028 4.488 0.445 200 HD3 LYS 27 1HD LYS 27 14.602 2.851 0.133 201 HE2 LYS 27 2HE LYS 27 12.465 2.743 -0.810 202 HE3 LYS 27 1HE LYS 27 12.108 2.207 0.843 203 HZ1 LYS 27 3HZ LYS 27 11.525 4.416 1.471 204 HZ2 LYS 27 1HZ LYS 27 10.651 4.040 0.069 205 HZ3 LYS 27 2HZ LYS 27 12.017 5.051 -0.031 Start of MODEL 16 1 H1 MET 1 1HT MET 1 -15.244 -6.148 16.984 2 H2 MET 1 2HT MET 1 -15.759 -4.635 17.562 3 H3 MET 1 3HT MET 1 -14.255 -4.787 16.786 4 HA MET 1 HA MET 1 -15.463 -5.470 14.717 5 HB2 MET 1 2HB MET 1 -17.703 -4.850 16.640 6 HB3 MET 1 1HB MET 1 -17.952 -4.657 14.906 7 HG2 MET 1 2HG MET 1 -16.682 -7.207 15.748 8 HG3 MET 1 1HG MET 1 -18.371 -6.997 16.209 9 HE1 MET 1 2HE MET 1 -18.138 -9.313 12.992 10 HE2 MET 1 3HE MET 1 -18.148 -9.276 14.752 11 HE3 MET 1 1HE MET 1 -16.647 -8.964 13.862 12 H ASP 2 H ASP 2 -14.375 -3.808 13.704 13 HA ASP 2 HA ASP 2 -15.165 -0.985 14.368 14 HB2 ASP 2 2HB ASP 2 -12.524 -2.163 13.443 15 HB3 ASP 2 1HB ASP 2 -12.824 -0.444 13.690 16 H ARG 3 H ARG 3 -15.339 0.468 12.553 17 HA ARG 3 HA ARG 3 -15.030 -0.569 9.808 18 HB2 ARG 3 2HB ARG 3 -17.417 -0.960 11.217 19 HB3 ARG 3 1HB ARG 3 -17.743 0.447 10.206 20 HG2 ARG 3 2HG ARG 3 -17.581 -0.738 8.255 21 HG3 ARG 3 1HG ARG 3 -16.322 -1.803 8.882 22 HD2 ARG 3 2HD ARG 3 -18.780 -2.249 10.349 23 HD3 ARG 3 1HD ARG 3 -19.069 -2.419 8.606 24 HE ARG 3 HE ARG 3 -17.052 -3.965 8.579 25 HH11 ARG 3 1HH1 ARG 3 -19.233 -5.503 9.777 26 HH12 ARG 3 2HH1 ARG 3 -18.581 -6.020 11.294 27 HH21 ARG 3 1HH2 ARG 3 -15.996 -3.668 11.265 28 HH22 ARG 3 2HH2 ARG 3 -16.725 -4.971 12.148 29 H GLU 4 H GLU 4 -16.238 1.281 8.336 30 HA GLU 4 HA GLU 4 -16.135 3.475 7.534 31 HB2 GLU 4 2HB GLU 4 -16.292 4.102 10.499 32 HB3 GLU 4 1HB GLU 4 -16.662 5.216 9.187 33 HG2 GLU 4 2HG GLU 4 -18.115 2.594 9.671 34 HG3 GLU 4 1HG GLU 4 -18.705 4.174 10.180 35 H MET 5 H MET 5 -13.574 2.043 8.448 36 HA MET 5 HA MET 5 -11.711 4.137 7.815 37 HB2 MET 5 2HB MET 5 -10.519 4.073 10.072 38 HB3 MET 5 1HB MET 5 -12.044 4.942 10.035 39 HG2 MET 5 2HG MET 5 -12.739 3.670 11.754 40 HG3 MET 5 1HG MET 5 -12.702 2.269 10.692 41 HE1 MET 5 3HE MET 5 -10.917 1.871 14.372 42 HE2 MET 5 1HE MET 5 -12.505 2.117 13.622 43 HE3 MET 5 2HE MET 5 -11.495 3.500 14.033 44 H ALA 6 H ALA 6 -12.040 0.987 9.503 45 HA ALA 6 HA ALA 6 -9.468 0.044 8.375 46 HB1 ALA 6 1HB ALA 6 -10.261 -0.300 10.770 47 HB2 ALA 6 2HB ALA 6 -9.774 -1.770 9.930 48 HB3 ALA 6 3HB ALA 6 -11.485 -1.395 10.127 49 H ALA 7 H ALA 7 -11.434 0.586 6.400 50 HA ALA 7 HA ALA 7 -12.268 -2.151 5.491 51 HB1 ALA 7 1HB ALA 7 -14.237 -0.883 5.861 52 HB2 ALA 7 2HB ALA 7 -13.943 -0.671 4.135 53 HB3 ALA 7 3HB ALA 7 -13.496 0.604 5.269 54 H SER 8 H SER 8 -11.366 1.108 4.295 55 HA SER 8 HA SER 8 -10.039 -0.158 1.926 56 HB2 SER 8 2HB SER 8 -11.943 1.541 1.679 57 HB3 SER 8 1HB SER 8 -10.844 2.737 2.355 58 HG SER 8 HG SER 8 -10.554 2.841 0.179 59 H ALA 9 H ALA 9 -9.658 2.480 4.331 60 HA ALA 9 HA ALA 9 -6.918 3.090 3.759 61 HB1 ALA 9 1HB ALA 9 -7.048 4.202 5.987 62 HB2 ALA 9 2HB ALA 9 -8.592 3.397 6.266 63 HB3 ALA 9 3HB ALA 9 -8.436 4.575 4.965 64 H GLY 10 H GLY 10 -8.386 0.700 5.991 65 HA2 GLY 10 2HA GLY 10 -5.710 -0.042 7.015 66 HA3 GLY 10 1HA GLY 10 -7.250 -0.680 7.588 67 H GLY 11 H GLY 11 -5.206 -0.724 4.615 68 HA2 GLY 11 2HA GLY 11 -5.202 -3.595 4.490 69 HA3 GLY 11 1HA GLY 11 -6.414 -2.959 3.382 70 H ALA 12 H ALA 12 -5.705 -1.634 1.610 71 HA ALA 12 HA ALA 12 -3.358 -2.474 0.251 72 HB1 ALA 12 1HB ALA 12 -3.952 -0.767 -1.336 73 HB2 ALA 12 2HB ALA 12 -4.812 0.159 -0.106 74 HB3 ALA 12 3HB ALA 12 -5.461 -1.385 -0.662 75 H VAL 13 H VAL 13 -3.890 0.437 2.256 76 HA VAL 13 HA VAL 13 -1.410 1.767 1.776 77 HB VAL 13 HB VAL 13 -3.065 1.647 4.328 78 HG11 VAL 13 1HG1 VAL 13 -0.946 2.738 4.726 79 HG12 VAL 13 2HG1 VAL 13 -2.182 3.990 4.606 80 HG13 VAL 13 3HG1 VAL 13 -1.099 3.688 3.247 81 HG21 VAL 13 3HG2 VAL 13 -4.674 2.418 2.868 82 HG22 VAL 13 1HG2 VAL 13 -3.486 2.986 1.694 83 HG23 VAL 13 2HG2 VAL 13 -3.833 3.945 3.132 84 H PHE 14 H PHE 14 -2.307 -0.710 4.182 85 HA PHE 14 HA PHE 14 0.212 -0.840 5.556 86 HB2 PHE 14 2HB PHE 14 -2.242 -1.795 6.012 87 HB3 PHE 14 1HB PHE 14 -1.559 -3.236 5.259 88 HD1 PHE 14 1HD PHE 14 0.621 -4.189 6.195 89 HD2 PHE 14 2HD PHE 14 -1.707 -1.218 8.249 90 HE1 PHE 14 1HE PHE 14 1.779 -4.747 8.312 91 HE2 PHE 14 2HE PHE 14 -0.548 -1.778 10.368 92 HZ PHE 14 HZ PHE 14 1.195 -3.542 10.399 93 H VAL 15 H VAL 15 -1.093 -2.661 2.754 94 HA VAL 15 HA VAL 15 1.052 -4.534 2.460 95 HB VAL 15 HB VAL 15 -0.861 -3.257 0.469 96 HG11 VAL 15 1HG1 VAL 15 1.058 -5.579 0.156 97 HG12 VAL 15 2HG1 VAL 15 0.940 -4.131 -0.846 98 HG13 VAL 15 3HG1 VAL 15 -0.338 -5.344 -0.897 99 HG21 VAL 15 3HG2 VAL 15 -2.054 -5.424 0.709 100 HG22 VAL 15 1HG2 VAL 15 -1.941 -4.572 2.249 101 HG23 VAL 15 2HG2 VAL 15 -0.869 -5.930 1.913 102 H GLY 16 H GLY 16 0.602 -1.238 1.133 103 HA2 GLY 16 2HA GLY 16 3.011 -1.178 -0.431 104 HA3 GLY 16 1HA GLY 16 2.120 0.240 0.128 105 H LEU 17 H LEU 17 2.269 -0.243 2.927 106 HA LEU 17 HA LEU 17 4.800 0.915 3.599 107 HB2 LEU 17 2HB LEU 17 2.434 -0.237 5.015 108 HB3 LEU 17 1HB LEU 17 3.912 -0.044 5.956 109 HG LEU 17 HG LEU 17 2.828 2.207 4.263 110 HD11 LEU 17 1HD1 LEU 17 1.624 3.057 6.166 111 HD12 LEU 17 2HD1 LEU 17 2.255 1.782 7.207 112 HD13 LEU 17 3HD1 LEU 17 1.104 1.389 5.931 113 HD21 LEU 17 3HD2 LEU 17 4.182 3.571 5.766 114 HD22 LEU 17 1HD2 LEU 17 5.187 2.272 5.126 115 HD23 LEU 17 2HD2 LEU 17 4.549 2.166 6.765 116 H VAL 18 H VAL 18 3.586 -2.453 3.974 117 HA VAL 18 HA VAL 18 5.838 -3.622 5.219 118 HB VAL 18 HB VAL 18 3.822 -4.635 3.191 119 HG11 VAL 18 1HG1 VAL 18 4.511 -6.919 3.757 120 HG12 VAL 18 2HG1 VAL 18 5.786 -6.298 4.805 121 HG13 VAL 18 3HG1 VAL 18 5.873 -6.042 3.061 122 HG21 VAL 18 3HG2 VAL 18 3.019 -3.963 5.454 123 HG22 VAL 18 1HG2 VAL 18 4.144 -5.117 6.171 124 HG23 VAL 18 2HG2 VAL 18 2.817 -5.690 5.160 125 H LEU 19 H LEU 19 5.280 -2.958 1.755 126 HA LEU 19 HA LEU 19 7.826 -4.113 0.887 127 HB2 LEU 19 2HB LEU 19 5.382 -3.091 -0.244 128 HB3 LEU 19 1HB LEU 19 6.745 -2.287 -1.019 129 HG LEU 19 HG LEU 19 7.779 -4.595 -1.322 130 HD11 LEU 19 1HD1 LEU 19 4.945 -5.500 -0.731 131 HD12 LEU 19 2HD1 LEU 19 6.292 -5.691 0.391 132 HD13 LEU 19 3HD1 LEU 19 6.316 -6.521 -1.165 133 HD21 LEU 19 3HD2 LEU 19 6.733 -3.415 -3.189 134 HD22 LEU 19 1HD2 LEU 19 5.134 -3.943 -2.664 135 HD23 LEU 19 2HD2 LEU 19 6.297 -5.122 -3.270 136 H LEU 20 H LEU 20 6.557 -0.774 1.297 137 HA LEU 20 HA LEU 20 8.902 0.644 0.505 138 HB2 LEU 20 2HB LEU 20 6.342 1.173 1.702 139 HB3 LEU 20 1HB LEU 20 7.572 2.035 2.620 140 HG LEU 20 HG LEU 20 8.326 2.432 -0.039 141 HD11 LEU 20 1HD1 LEU 20 6.171 3.423 -0.974 142 HD12 LEU 20 2HD1 LEU 20 5.318 2.523 0.281 143 HD13 LEU 20 3HD1 LEU 20 6.250 1.662 -0.944 144 HD21 LEU 20 3HD2 LEU 20 7.580 4.762 0.398 145 HD22 LEU 20 1HD2 LEU 20 8.442 4.085 1.779 146 HD23 LEU 20 2HD2 LEU 20 6.681 4.198 1.807 147 H THR 21 H THR 21 7.881 -0.504 3.746 148 HA THR 21 HA THR 21 10.195 0.481 5.166 149 HB THR 21 HB THR 21 8.418 -1.893 5.833 150 HG1 THR 21 1HG THR 21 7.994 0.895 6.117 151 HG21 THR 21 3HG2 THR 21 10.482 -1.457 7.231 152 HG22 THR 21 1HG2 THR 21 8.958 -1.415 8.118 153 HG23 THR 21 2HG2 THR 21 9.762 0.091 7.676 154 H LEU 22 H LEU 22 9.474 -2.542 3.439 155 HA LEU 22 HA LEU 22 11.641 -4.171 4.294 156 HB2 LEU 22 2HB LEU 22 9.546 -4.243 2.420 157 HB3 LEU 22 1HB LEU 22 11.007 -4.445 1.463 158 HG LEU 22 HG LEU 22 10.787 -6.019 3.993 159 HD11 LEU 22 1HD1 LEU 22 9.540 -7.797 2.793 160 HD12 LEU 22 2HD1 LEU 22 9.321 -6.705 1.424 161 HD13 LEU 22 3HD1 LEU 22 8.575 -6.334 2.978 162 HD21 LEU 22 3HD2 LEU 22 12.044 -7.637 2.655 163 HD22 LEU 22 1HD2 LEU 22 12.802 -6.052 2.511 164 HD23 LEU 22 2HD2 LEU 22 11.795 -6.670 1.201 165 H SER 23 H SER 23 11.484 -1.679 1.745 166 HA SER 23 HA SER 23 14.288 -2.133 0.938 167 HB2 SER 23 2HB SER 23 11.916 -1.117 -0.216 168 HB3 SER 23 1HB SER 23 13.017 0.251 -0.115 169 HG SER 23 HG SER 23 14.347 -0.723 -1.479 170 HA PRO 24 HA PRO 24 15.479 0.847 4.118 171 HB2 PRO 24 2HB PRO 24 18.175 0.581 3.777 172 HB3 PRO 24 1HB PRO 24 17.195 -0.584 4.690 173 HG2 PRO 24 2HG PRO 24 18.237 -0.763 1.914 174 HG3 PRO 24 1HG PRO 24 18.087 -2.022 3.150 175 HD2 PRO 24 2HD PRO 24 16.351 -1.749 1.074 176 HD3 PRO 24 1HD PRO 24 15.908 -2.455 2.644 177 H HIS 25 H HIS 25 15.792 3.035 3.894 178 HA HIS 25 HA HIS 25 16.496 4.106 1.195 179 HB2 HIS 25 2HB HIS 25 14.982 5.059 3.612 180 HB3 HIS 25 1HB HIS 25 15.625 6.247 2.480 181 HD1 HIS 25 1HD HIS 25 14.706 6.173 0.016 182 HD2 HIS 25 2HD HIS 25 12.792 3.560 2.641 183 HE1 HIS 25 1HE HIS 25 12.592 5.404 -1.149 184 H TYR 26 H TYR 26 17.189 4.871 4.636 185 HA TYR 26 HA TYR 26 19.989 5.588 3.855 186 HB2 TYR 26 2HB TYR 26 17.953 7.159 5.462 187 HB3 TYR 26 1HB TYR 26 19.680 7.492 5.563 188 HD1 TYR 26 1HD TYR 26 20.933 7.838 3.285 189 HD2 TYR 26 2HD TYR 26 16.678 8.179 3.773 190 HE1 TYR 26 1HE TYR 26 20.800 9.178 1.205 191 HE2 TYR 26 2HE TYR 26 16.548 9.520 1.693 192 HH TYR 26 HH TYR 26 18.948 11.053 0.342 193 H LYS 27 H LYS 27 20.958 3.830 4.817 194 HA LYS 27 HA LYS 27 21.905 2.538 6.503 195 HB2 LYS 27 2HB LYS 27 21.976 4.813 7.640 196 HB3 LYS 27 1HB LYS 27 20.474 4.368 8.451 197 HG2 LYS 27 2HG LYS 27 21.508 2.489 9.530 198 HG3 LYS 27 1HG LYS 27 22.970 2.658 8.560 199 HD2 LYS 27 2HD LYS 27 22.129 5.025 10.166 200 HD3 LYS 27 1HD LYS 27 22.795 3.649 11.047 201 HE2 LYS 27 2HE LYS 27 24.866 3.753 9.881 202 HE3 LYS 27 1HE LYS 27 24.197 4.813 8.625 203 HZ1 LYS 27 3HZ LYS 27 24.458 5.518 11.506 204 HZ2 LYS 27 1HZ LYS 27 23.817 6.518 10.295 205 HZ3 LYS 27 2HZ LYS 27 25.461 6.087 10.258 Start of MODEL 17 1 H1 MET 1 1HT MET 1 -6.862 3.528 20.472 2 H2 MET 1 2HT MET 1 -5.440 3.010 21.242 3 H3 MET 1 3HT MET 1 -6.953 2.433 21.762 4 HA MET 1 HA MET 1 -5.588 1.834 19.182 5 HB2 MET 1 2HB MET 1 -5.381 0.740 21.731 6 HB3 MET 1 1HB MET 1 -6.544 -0.319 20.935 7 HG2 MET 1 2HG MET 1 -4.992 -0.679 19.077 8 HG3 MET 1 1HG MET 1 -3.836 0.440 19.801 9 HE1 MET 1 2HE MET 1 -2.577 -1.480 19.027 10 HE2 MET 1 3HE MET 1 -3.080 -3.137 19.345 11 HE3 MET 1 1HE MET 1 -1.776 -2.403 20.294 12 H ASP 2 H ASP 2 -7.042 1.684 17.529 13 HA ASP 2 HA ASP 2 -9.612 0.301 17.918 14 HB2 ASP 2 2HB ASP 2 -10.725 2.427 16.796 15 HB3 ASP 2 1HB ASP 2 -10.493 2.352 18.536 16 H ARG 3 H ARG 3 -8.105 2.531 15.521 17 HA ARG 3 HA ARG 3 -7.710 2.316 13.236 18 HB2 ARG 3 2HB ARG 3 -6.352 0.434 14.365 19 HB3 ARG 3 1HB ARG 3 -7.599 -0.657 13.755 20 HG2 ARG 3 2HG ARG 3 -7.199 0.249 11.455 21 HG3 ARG 3 1HG ARG 3 -5.862 1.200 12.102 22 HD2 ARG 3 2HD ARG 3 -4.476 -0.611 12.234 23 HD3 ARG 3 1HD ARG 3 -5.775 -1.683 12.796 24 HE ARG 3 HE ARG 3 -5.877 -0.791 9.962 25 HH11 ARG 3 1HH2 ARG 3 -7.605 -2.999 10.807 26 HH12 ARG 3 2HH2 ARG 3 -6.708 -4.413 10.363 27 HH21 ARG 3 1HH1 ARG 3 -3.689 -2.699 10.041 28 HH22 ARG 3 2HH1 ARG 3 -4.464 -4.240 9.924 29 H GLU 4 H GLU 4 -10.175 2.901 13.190 30 HA GLU 4 HA GLU 4 -11.887 0.689 12.175 31 HB2 GLU 4 2HB GLU 4 -12.293 3.550 13.054 32 HB3 GLU 4 1HB GLU 4 -13.560 2.687 12.181 33 HG2 GLU 4 2HG GLU 4 -13.258 0.821 13.930 34 HG3 GLU 4 1HG GLU 4 -12.358 2.013 14.868 35 H MET 5 H MET 5 -11.132 4.044 11.114 36 HA MET 5 HA MET 5 -10.826 3.086 8.311 37 HB2 MET 5 2HB MET 5 -13.106 4.459 9.467 38 HB3 MET 5 1HB MET 5 -12.399 5.418 8.169 39 HG2 MET 5 2HG MET 5 -13.042 3.947 6.565 40 HG3 MET 5 1HG MET 5 -12.616 2.546 7.547 41 HE1 MET 5 3HE MET 5 -13.952 1.092 8.430 42 HE2 MET 5 1HE MET 5 -14.888 1.081 6.925 43 HE3 MET 5 2HE MET 5 -15.711 1.068 8.481 44 H ALA 6 H ALA 6 -8.607 3.696 9.325 45 HA ALA 6 HA ALA 6 -8.028 6.607 9.383 46 HB1 ALA 6 1HB ALA 6 -6.377 4.104 9.856 47 HB2 ALA 6 2HB ALA 6 -7.029 5.190 11.083 48 HB3 ALA 6 3HB ALA 6 -5.741 5.742 10.012 49 H ALA 7 H ALA 7 -7.074 3.706 7.515 50 HA ALA 7 HA ALA 7 -6.684 5.322 5.081 51 HB1 ALA 7 1HB ALA 7 -4.378 3.682 6.145 52 HB2 ALA 7 2HB ALA 7 -4.571 5.383 6.569 53 HB3 ALA 7 3HB ALA 7 -4.349 4.916 4.884 54 H SER 8 H SER 8 -7.860 4.063 3.674 55 HA SER 8 HA SER 8 -8.599 2.207 2.439 56 HB2 SER 8 2HB SER 8 -5.790 1.721 3.194 57 HB3 SER 8 1HB SER 8 -6.673 0.269 2.763 58 HG SER 8 HG SER 8 -6.533 2.671 1.232 59 H ALA 9 H ALA 9 -8.402 -0.575 2.954 60 HA ALA 9 HA ALA 9 -10.249 -0.822 5.247 61 HB1 ALA 9 1HB ALA 9 -10.524 -3.107 4.316 62 HB2 ALA 9 2HB ALA 9 -9.216 -2.786 3.177 63 HB3 ALA 9 3HB ALA 9 -10.719 -1.868 3.074 64 H GLY 10 H GLY 10 -7.497 -0.196 6.012 65 HA2 GLY 10 2HA GLY 10 -5.849 -0.911 7.507 66 HA3 GLY 10 1HA GLY 10 -7.031 -2.095 8.064 67 H GLY 11 H GLY 11 -5.652 -1.880 4.793 68 HA2 GLY 11 2HA GLY 11 -3.832 -4.126 5.235 69 HA3 GLY 11 1HA GLY 11 -5.256 -4.551 4.286 70 H ALA 12 H ALA 12 -5.677 -2.496 2.606 71 HA ALA 12 HA ALA 12 -3.739 -2.756 0.554 72 HB1 ALA 12 1HB ALA 12 -5.195 -1.427 -0.608 73 HB2 ALA 12 2HB ALA 12 -5.302 -0.233 0.685 74 HB3 ALA 12 3HB ALA 12 -6.237 -1.725 0.784 75 H VAL 13 H VAL 13 -4.175 0.013 2.808 76 HA VAL 13 HA VAL 13 -1.890 1.498 1.870 77 HB VAL 13 HB VAL 13 -3.656 1.502 4.319 78 HG11 VAL 13 1HG1 VAL 13 -1.116 3.070 3.886 79 HG12 VAL 13 2HG1 VAL 13 -1.682 2.269 5.352 80 HG13 VAL 13 3HG1 VAL 13 -2.450 3.760 4.809 81 HG21 VAL 13 3HG2 VAL 13 -4.562 3.444 3.354 82 HG22 VAL 13 1HG2 VAL 13 -4.216 2.439 1.948 83 HG23 VAL 13 2HG2 VAL 13 -3.122 3.751 2.385 84 H PHE 14 H PHE 14 -2.251 -1.054 4.315 85 HA PHE 14 HA PHE 14 0.370 -0.735 5.510 86 HB2 PHE 14 2HB PHE 14 -1.670 -1.847 6.513 87 HB3 PHE 14 1HB PHE 14 -1.406 -3.190 5.401 88 HD1 PHE 14 2HD PHE 14 0.649 -1.078 7.745 89 HD2 PHE 14 1HD PHE 14 -0.242 -5.011 6.263 90 HE1 PHE 14 2HE PHE 14 2.319 -2.043 9.300 91 HE2 PHE 14 1HE PHE 14 1.429 -5.975 7.821 92 HZ PHE 14 HZ PHE 14 2.711 -4.492 9.339 93 H VAL 15 H VAL 15 -0.940 -2.878 2.947 94 HA VAL 15 HA VAL 15 1.361 -4.484 2.490 95 HB VAL 15 HB VAL 15 -0.884 -3.468 0.723 96 HG11 VAL 15 1HG1 VAL 15 -0.227 -5.316 -0.854 97 HG12 VAL 15 2HG1 VAL 15 1.278 -5.487 0.050 98 HG13 VAL 15 3HG1 VAL 15 0.927 -3.983 -0.804 99 HG21 VAL 15 3HG2 VAL 15 -1.232 -5.100 2.691 100 HG22 VAL 15 1HG2 VAL 15 -0.353 -6.274 1.712 101 HG23 VAL 15 2HG2 VAL 15 -1.868 -5.592 1.122 102 H GLY 16 H GLY 16 0.467 -1.324 1.045 103 HA2 GLY 16 2HA GLY 16 2.772 -1.062 -0.638 104 HA3 GLY 16 1HA GLY 16 1.759 0.273 -0.087 105 H LEU 17 H LEU 17 2.188 -0.263 2.768 106 HA LEU 17 HA LEU 17 4.693 1.196 3.126 107 HB2 LEU 17 2HB LEU 17 2.406 1.253 4.433 108 HB3 LEU 17 1HB LEU 17 3.109 -0.091 5.335 109 HG LEU 17 HG LEU 17 5.207 1.495 5.503 110 HD11 LEU 17 1HD1 LEU 17 4.732 3.832 5.442 111 HD12 LEU 17 2HD1 LEU 17 2.996 3.551 5.303 112 HD13 LEU 17 3HD1 LEU 17 4.062 3.176 3.949 113 HD21 LEU 17 3HD2 LEU 17 3.984 0.765 7.459 114 HD22 LEU 17 1HD2 LEU 17 2.634 1.835 7.076 115 HD23 LEU 17 2HD2 LEU 17 4.182 2.513 7.580 116 H VAL 18 H VAL 18 3.584 -2.155 3.653 117 HA VAL 18 HA VAL 18 5.827 -3.138 5.128 118 HB VAL 18 HB VAL 18 3.795 -4.350 3.239 119 HG11 VAL 18 1HG1 VAL 18 5.997 -5.769 4.767 120 HG12 VAL 18 2HG1 VAL 18 5.688 -5.830 3.032 121 HG13 VAL 18 3HG1 VAL 18 4.557 -6.583 4.155 122 HG21 VAL 18 3HG2 VAL 18 2.737 -5.096 5.223 123 HG22 VAL 18 1HG2 VAL 18 3.269 -3.459 5.608 124 HG23 VAL 18 2HG2 VAL 18 4.188 -4.844 6.193 125 H LEU 19 H LEU 19 5.250 -3.020 1.589 126 HA LEU 19 HA LEU 19 7.726 -4.241 0.792 127 HB2 LEU 19 2HB LEU 19 5.408 -3.328 -0.414 128 HB3 LEU 19 1HB LEU 19 6.606 -2.175 -0.990 129 HG LEU 19 HG LEU 19 6.491 -4.013 -2.561 130 HD11 LEU 19 1HD1 LEU 19 8.757 -4.458 -2.769 131 HD12 LEU 19 2HD1 LEU 19 8.982 -4.691 -1.036 132 HD13 LEU 19 3HD1 LEU 19 8.790 -3.063 -1.690 133 HD21 LEU 19 3HD2 LEU 19 6.818 -6.321 -1.927 134 HD22 LEU 19 1HD2 LEU 19 5.556 -5.656 -0.892 135 HD23 LEU 19 2HD2 LEU 19 7.191 -5.866 -0.265 136 H LEU 20 H LEU 20 6.837 -0.865 1.508 137 HA LEU 20 HA LEU 20 9.395 0.259 0.655 138 HB2 LEU 20 2HB LEU 20 6.939 1.261 0.952 139 HB3 LEU 20 1HB LEU 20 7.539 1.621 2.571 140 HG LEU 20 HG LEU 20 9.603 2.626 1.369 141 HD11 LEU 20 1HD1 LEU 20 9.082 3.491 -0.909 142 HD12 LEU 20 2HD1 LEU 20 7.591 2.550 -0.902 143 HD13 LEU 20 3HD1 LEU 20 9.152 1.730 -0.860 144 HD21 LEU 20 3HD2 LEU 20 7.905 3.978 2.540 145 HD22 LEU 20 1HD2 LEU 20 6.874 3.937 1.108 146 HD23 LEU 20 2HD2 LEU 20 8.420 4.783 1.059 147 H THR 21 H THR 21 7.970 -0.801 3.744 148 HA THR 21 HA THR 21 9.976 0.247 5.506 149 HB THR 21 HB THR 21 8.037 -2.077 5.666 150 HG1 THR 21 1HG THR 21 6.935 -0.219 5.707 151 HG21 THR 21 3HG2 THR 21 10.069 -1.104 7.630 152 HG22 THR 21 1HG2 THR 21 9.461 -2.736 7.355 153 HG23 THR 21 2HG2 THR 21 8.481 -1.569 8.240 154 H LEU 22 H LEU 22 9.985 -2.587 3.404 155 HA LEU 22 HA LEU 22 11.996 -4.123 4.751 156 HB2 LEU 22 2HB LEU 22 10.548 -4.095 2.219 157 HB3 LEU 22 1HB LEU 22 12.222 -4.583 1.984 158 HG LEU 22 HG LEU 22 10.758 -6.520 2.425 159 HD11 LEU 22 1HD1 LEU 22 12.158 -7.593 4.030 160 HD12 LEU 22 2HD1 LEU 22 12.554 -6.064 4.813 161 HD13 LEU 22 3HD1 LEU 22 13.177 -6.417 3.201 162 HD21 LEU 22 3HD2 LEU 22 9.817 -6.795 4.729 163 HD22 LEU 22 1HD2 LEU 22 9.072 -5.469 3.839 164 HD23 LEU 22 2HD2 LEU 22 10.275 -5.130 5.082 165 H SER 23 H SER 23 12.598 -2.455 1.619 166 HA SER 23 HA SER 23 14.518 -1.352 0.819 167 HB2 SER 23 2HB SER 23 13.639 -0.248 3.267 168 HB3 SER 23 1HB SER 23 15.390 -0.312 3.384 169 HG SER 23 HG SER 23 13.735 1.130 1.668 170 HA PRO 24 HA PRO 24 18.217 -3.624 1.735 171 HB2 PRO 24 2HB PRO 24 20.263 -1.850 2.096 172 HB3 PRO 24 1HB PRO 24 19.503 -2.144 0.520 173 HG2 PRO 24 2HG PRO 24 19.146 0.120 2.391 174 HG3 PRO 24 1HG PRO 24 19.112 0.095 0.622 175 HD2 PRO 24 2HD PRO 24 16.888 0.203 2.244 176 HD3 PRO 24 1HD PRO 24 16.891 -0.340 0.554 177 H HIS 25 H HIS 25 16.969 -4.036 3.931 178 HA HIS 25 HA HIS 25 18.577 -3.086 6.279 179 HB2 HIS 25 2HB HIS 25 15.731 -3.914 5.799 180 HB3 HIS 25 1HB HIS 25 16.410 -4.117 7.413 181 HD1 HIS 25 1HD HIS 25 16.227 -2.098 8.874 182 HD2 HIS 25 2HD HIS 25 16.216 -1.073 4.833 183 HE1 HIS 25 1HE HIS 25 15.897 0.409 8.770 184 H TYR 26 H TYR 26 16.920 -6.031 5.038 185 HA TYR 26 HA TYR 26 18.456 -7.768 6.848 186 HB2 TYR 26 2HB TYR 26 15.988 -7.936 5.946 187 HB3 TYR 26 1HB TYR 26 16.746 -8.694 4.546 188 HD1 TYR 26 2HD TYR 26 18.113 -10.773 4.836 189 HD2 TYR 26 1HD TYR 26 15.824 -9.071 8.050 190 HE1 TYR 26 2HE TYR 26 18.281 -12.908 6.088 191 HE2 TYR 26 1HE TYR 26 15.993 -11.205 9.300 192 HH TYR 26 HH TYR 26 16.458 -13.900 8.280 193 H LYS 27 H LYS 27 20.557 -6.970 5.908 194 HA LYS 27 HA LYS 27 22.496 -7.309 4.670 195 HB2 LYS 27 2HB LYS 27 20.927 -9.847 4.196 196 HB3 LYS 27 1HB LYS 27 22.533 -9.620 3.508 197 HG2 LYS 27 2HG LYS 27 22.905 -8.822 6.122 198 HG3 LYS 27 1HG LYS 27 21.751 -10.142 6.294 199 HD2 LYS 27 2HD LYS 27 23.814 -10.831 4.373 200 HD3 LYS 27 1HD LYS 27 24.527 -10.372 5.918 201 HE2 LYS 27 2HE LYS 27 23.710 -12.217 6.990 202 HE3 LYS 27 1HE LYS 27 22.159 -12.147 6.132 203 HZ1 LYS 27 3HZ LYS 27 24.736 -13.015 4.919 204 HZ2 LYS 27 1HZ LYS 27 23.228 -12.976 4.144 205 HZ3 LYS 27 2HZ LYS 27 23.494 -14.056 5.427 Start of MODEL 18 1 H1 MET 1 1HT MET 1 -19.565 -3.248 -6.986 2 H2 MET 1 2HT MET 1 -18.318 -3.681 -5.916 3 H3 MET 1 3HT MET 1 -18.740 -4.715 -7.193 4 HA MET 1 HA MET 1 -16.681 -3.522 -7.703 5 HB2 MET 1 2HB MET 1 -19.232 -3.382 -9.190 6 HB3 MET 1 1HB MET 1 -17.999 -2.254 -9.753 7 HG2 MET 1 2HG MET 1 -16.444 -4.007 -10.186 8 HG3 MET 1 1HG MET 1 -17.399 -5.179 -9.277 9 HE1 MET 1 2HE MET 1 -16.761 -3.085 -12.123 10 HE2 MET 1 3HE MET 1 -18.414 -2.597 -12.475 11 HE3 MET 1 1HE MET 1 -17.599 -3.788 -13.502 12 H ASP 2 H ASP 2 -15.905 -1.334 -8.537 13 HA ASP 2 HA ASP 2 -15.486 0.943 -8.281 14 HB2 ASP 2 2HB ASP 2 -18.027 0.858 -8.855 15 HB3 ASP 2 1HB ASP 2 -18.259 1.267 -7.155 16 H ARG 3 H ARG 3 -17.638 0.229 -5.480 17 HA ARG 3 HA ARG 3 -15.683 1.547 -3.678 18 HB2 ARG 3 2HB ARG 3 -18.556 0.995 -3.778 19 HB3 ARG 3 1HB ARG 3 -17.862 0.662 -2.193 20 HG2 ARG 3 2HG ARG 3 -18.423 2.944 -2.072 21 HG3 ARG 3 1HG ARG 3 -16.699 2.964 -2.437 22 HD2 ARG 3 2HD ARG 3 -17.849 2.875 -4.965 23 HD3 ARG 3 1HD ARG 3 -18.947 3.933 -4.059 24 HE ARG 3 HE ARG 3 -16.039 4.446 -3.763 25 HH11 ARG 3 1HH1 ARG 3 -17.257 5.101 -6.513 26 HH12 ARG 3 2HH1 ARG 3 -17.619 6.787 -6.310 27 HH21 ARG 3 1HH2 ARG 3 -17.305 6.690 -2.835 28 HH22 ARG 3 2HH2 ARG 3 -17.647 7.695 -4.201 29 H GLU 4 H GLU 4 -16.246 -1.637 -4.765 30 HA GLU 4 HA GLU 4 -15.987 -3.245 -2.436 31 HB2 GLU 4 2HB GLU 4 -16.207 -3.619 -5.154 32 HB3 GLU 4 1HB GLU 4 -14.549 -4.139 -4.863 33 HG2 GLU 4 2HG GLU 4 -15.559 -6.126 -4.367 34 HG3 GLU 4 1HG GLU 4 -15.785 -5.374 -2.790 35 H MET 5 H MET 5 -13.459 -1.846 -4.555 36 HA MET 5 HA MET 5 -11.232 -2.880 -2.986 37 HB2 MET 5 2HB MET 5 -11.617 -0.902 -5.230 38 HB3 MET 5 1HB MET 5 -10.049 -1.047 -4.438 39 HG2 MET 5 2HG MET 5 -9.659 -2.734 -5.896 40 HG3 MET 5 1HG MET 5 -10.730 -3.687 -4.871 41 HE1 MET 5 3HE MET 5 -10.151 -4.048 -8.155 42 HE2 MET 5 1HE MET 5 -11.753 -4.754 -8.430 43 HE3 MET 5 2HE MET 5 -10.858 -5.131 -6.961 44 H ALA 6 H ALA 6 -13.119 0.125 -3.018 45 HA ALA 6 HA ALA 6 -11.427 1.788 -1.440 46 HB1 ALA 6 1HB ALA 6 -14.456 1.696 -1.503 47 HB2 ALA 6 2HB ALA 6 -13.463 2.440 -2.758 48 HB3 ALA 6 3HB ALA 6 -13.448 3.090 -1.118 49 H ALA 7 H ALA 7 -13.629 -0.825 -0.491 50 HA ALA 7 HA ALA 7 -13.814 -0.180 2.318 51 HB1 ALA 7 1HB ALA 7 -15.312 -1.697 0.975 52 HB2 ALA 7 2HB ALA 7 -14.735 -2.422 2.475 53 HB3 ALA 7 3HB ALA 7 -14.000 -2.876 0.938 54 H SER 8 H SER 8 -11.531 -2.153 0.407 55 HA SER 8 HA SER 8 -10.013 -2.881 2.858 56 HB2 SER 8 2HB SER 8 -9.895 -3.653 -0.064 57 HB3 SER 8 1HB SER 8 -8.700 -4.198 1.105 58 HG SER 8 HG SER 8 -10.152 -5.494 1.963 59 H ALA 9 H ALA 9 -10.072 -0.026 1.766 60 HA ALA 9 HA ALA 9 -7.580 0.594 0.476 61 HB1 ALA 9 1HB ALA 9 -9.522 2.088 0.513 62 HB2 ALA 9 2HB ALA 9 -8.142 2.897 1.254 63 HB3 ALA 9 3HB ALA 9 -9.414 2.218 2.269 64 H GLY 10 H GLY 10 -8.522 0.418 3.927 65 HA2 GLY 10 2HA GLY 10 -6.099 1.452 5.034 66 HA3 GLY 10 1HA GLY 10 -7.206 0.363 5.875 67 H GLY 11 H GLY 11 -7.112 -1.913 4.349 68 HA2 GLY 11 2HA GLY 11 -4.665 -3.163 5.158 69 HA3 GLY 11 1HA GLY 11 -5.861 -3.874 4.071 70 H ALA 12 H ALA 12 -5.793 -1.911 2.005 71 HA ALA 12 HA ALA 12 -3.628 -2.802 0.374 72 HB1 ALA 12 1HB ALA 12 -5.692 -1.885 -0.526 73 HB2 ALA 12 2HB ALA 12 -4.357 -0.865 -1.061 74 HB3 ALA 12 3HB ALA 12 -5.393 -0.336 0.264 75 H VAL 13 H VAL 13 -4.022 0.248 2.226 76 HA VAL 13 HA VAL 13 -1.533 1.467 1.492 77 HB VAL 13 HB VAL 13 -3.298 1.670 3.960 78 HG11 VAL 13 1HG1 VAL 13 -1.304 2.601 4.751 79 HG12 VAL 13 2HG1 VAL 13 -2.101 4.008 4.048 80 HG13 VAL 13 3HG1 VAL 13 -0.823 3.181 3.156 81 HG21 VAL 13 3HG2 VAL 13 -3.805 2.430 1.362 82 HG22 VAL 13 1HG2 VAL 13 -3.115 3.905 2.040 83 HG23 VAL 13 2HG2 VAL 13 -4.536 3.172 2.782 84 H PHE 14 H PHE 14 -2.408 -0.752 4.146 85 HA PHE 14 HA PHE 14 0.086 -0.773 5.541 86 HB2 PHE 14 2HB PHE 14 -2.286 -1.735 6.087 87 HB3 PHE 14 1HB PHE 14 -1.716 -3.173 5.239 88 HD1 PHE 14 1HD PHE 14 0.172 -4.491 6.109 89 HD2 PHE 14 2HD PHE 14 -1.326 -1.061 8.219 90 HE1 PHE 14 1HE PHE 14 1.410 -5.198 8.138 91 HE2 PHE 14 2HE PHE 14 -0.087 -1.769 10.247 92 HZ PHE 14 HZ PHE 14 1.281 -3.838 10.207 93 H VAL 15 H VAL 15 -1.089 -2.731 2.780 94 HA VAL 15 HA VAL 15 1.136 -4.538 2.605 95 HB VAL 15 HB VAL 15 -0.719 -3.428 0.459 96 HG11 VAL 15 1HG1 VAL 15 1.313 -4.545 -0.454 97 HG12 VAL 15 2HG1 VAL 15 -0.164 -5.440 -0.812 98 HG13 VAL 15 3HG1 VAL 15 0.910 -5.990 0.475 99 HG21 VAL 15 3HG2 VAL 15 -1.199 -6.156 1.375 100 HG22 VAL 15 1HG2 VAL 15 -2.321 -4.801 1.273 101 HG23 VAL 15 2HG2 VAL 15 -1.314 -5.004 2.705 102 H GLY 16 H GLY 16 0.520 -1.358 1.082 103 HA2 GLY 16 2HA GLY 16 2.957 -1.232 -0.428 104 HA3 GLY 16 1HA GLY 16 1.969 0.157 0.028 105 H LEU 17 H LEU 17 2.096 -0.259 2.878 106 HA LEU 17 HA LEU 17 4.502 1.152 3.556 107 HB2 LEU 17 2HB LEU 17 2.073 0.609 4.714 108 HB3 LEU 17 1HB LEU 17 3.141 -0.418 5.667 109 HG LEU 17 HG LEU 17 3.794 2.481 5.126 110 HD11 LEU 17 1HD1 LEU 17 2.358 3.201 6.718 111 HD12 LEU 17 2HD1 LEU 17 2.751 1.860 7.794 112 HD13 LEU 17 3HD1 LEU 17 1.544 1.649 6.526 113 HD21 LEU 17 3HD2 LEU 17 4.678 0.391 7.136 114 HD22 LEU 17 1HD2 LEU 17 5.045 2.105 7.322 115 HD23 LEU 17 2HD2 LEU 17 5.668 1.217 5.933 116 H VAL 18 H VAL 18 3.575 -2.292 3.941 117 HA VAL 18 HA VAL 18 5.920 -3.228 5.276 118 HB VAL 18 HB VAL 18 3.936 -4.494 3.355 119 HG11 VAL 18 1HG1 VAL 18 4.825 -6.682 4.408 120 HG12 VAL 18 2HG1 VAL 18 6.255 -5.742 4.835 121 HG13 VAL 18 3HG1 VAL 18 5.801 -5.936 3.142 122 HG21 VAL 18 3HG2 VAL 18 2.988 -5.455 5.379 123 HG22 VAL 18 1HG2 VAL 18 3.145 -3.714 5.610 124 HG23 VAL 18 2HG2 VAL 18 4.310 -4.810 6.351 125 H LEU 19 H LEU 19 5.168 -2.919 1.803 126 HA LEU 19 HA LEU 19 7.633 -3.982 0.768 127 HB2 LEU 19 2HB LEU 19 5.423 -3.616 -0.413 128 HB3 LEU 19 1HB LEU 19 5.784 -1.891 -0.425 129 HG LEU 19 HG LEU 19 8.037 -2.626 -1.537 130 HD11 LEU 19 1HD1 LEU 19 7.663 -4.676 -2.977 131 HD12 LEU 19 2HD1 LEU 19 6.243 -5.027 -1.992 132 HD13 LEU 19 3HD1 LEU 19 7.845 -5.017 -1.256 133 HD21 LEU 19 3HD2 LEU 19 5.367 -2.762 -2.976 134 HD22 LEU 19 1HD2 LEU 19 6.927 -2.555 -3.771 135 HD23 LEU 19 2HD2 LEU 19 6.322 -1.307 -2.683 136 H LEU 20 H LEU 20 6.596 -0.691 1.667 137 HA LEU 20 HA LEU 20 8.855 0.788 0.741 138 HB2 LEU 20 2HB LEU 20 6.484 1.406 1.778 139 HB3 LEU 20 1HB LEU 20 7.400 1.475 3.277 140 HG LEU 20 HG LEU 20 7.207 3.684 2.152 141 HD11 LEU 20 1HD1 LEU 20 10.099 3.009 1.915 142 HD12 LEU 20 2HD1 LEU 20 9.322 2.731 3.473 143 HD13 LEU 20 3HD1 LEU 20 9.316 4.343 2.761 144 HD21 LEU 20 3HD2 LEU 20 8.255 4.127 0.049 145 HD22 LEU 20 1HD2 LEU 20 7.289 2.671 -0.190 146 HD23 LEU 20 2HD2 LEU 20 9.036 2.546 0.024 147 H THR 21 H THR 21 8.251 -0.846 3.869 148 HA THR 21 HA THR 21 10.715 -0.007 5.129 149 HB THR 21 HB THR 21 8.930 -2.406 5.680 150 HG1 THR 21 1HG THR 21 7.551 -0.984 6.354 151 HG21 THR 21 3HG2 THR 21 10.893 -0.865 7.399 152 HG22 THR 21 1HG2 THR 21 11.012 -2.556 6.913 153 HG23 THR 21 2HG2 THR 21 9.745 -2.046 8.027 154 H LEU 22 H LEU 22 9.880 -2.713 2.995 155 HA LEU 22 HA LEU 22 12.264 -4.295 3.517 156 HB2 LEU 22 2HB LEU 22 9.826 -4.585 2.190 157 HB3 LEU 22 1HB LEU 22 11.012 -4.612 0.888 158 HG LEU 22 HG LEU 22 11.212 -6.316 3.388 159 HD11 LEU 22 1HD1 LEU 22 9.218 -6.800 1.868 160 HD12 LEU 22 2HD1 LEU 22 10.332 -8.143 2.125 161 HD13 LEU 22 3HD1 LEU 22 10.390 -7.225 0.621 162 HD21 LEU 22 3HD2 LEU 22 13.375 -6.133 2.458 163 HD22 LEU 22 1HD2 LEU 22 12.762 -6.099 0.806 164 HD23 LEU 22 2HD2 LEU 22 12.749 -7.607 1.719 165 H SER 23 H SER 23 11.471 -1.640 1.316 166 HA SER 23 HA SER 23 12.786 -0.360 -0.126 167 HB2 SER 23 2HB SER 23 14.274 -0.847 2.092 168 HB3 SER 23 1HB SER 23 15.307 -1.579 0.874 169 HG SER 23 HG SER 23 14.532 1.080 1.248 170 HA PRO 24 HA PRO 24 13.423 -4.080 -2.827 171 HB2 PRO 24 2HB PRO 24 11.491 -3.486 -4.669 172 HB3 PRO 24 1HB PRO 24 11.166 -4.407 -3.188 173 HG2 PRO 24 2HG PRO 24 10.550 -1.591 -3.827 174 HG3 PRO 24 1HG PRO 24 9.683 -2.738 -2.797 175 HD2 PRO 24 2HD PRO 24 11.338 -0.703 -1.900 176 HD3 PRO 24 1HD PRO 24 10.820 -2.113 -0.953 177 H HIS 25 H HIS 25 15.359 -2.465 -2.963 178 HA HIS 25 HA HIS 25 15.336 -1.021 -5.596 179 HB2 HIS 25 2HB HIS 25 16.921 -0.512 -3.060 180 HB3 HIS 25 1HB HIS 25 17.047 0.431 -4.544 181 HD1 HIS 25 1HD HIS 25 15.259 0.346 -1.405 182 HD2 HIS 25 2HD HIS 25 14.340 1.589 -5.279 183 HE1 HIS 25 1HE HIS 25 13.234 1.851 -1.214 184 H TYR 26 H TYR 26 17.218 -3.167 -3.453 185 HA TYR 26 HA TYR 26 18.995 -4.623 -3.874 186 HB2 TYR 26 2HB TYR 26 17.973 -4.222 -6.709 187 HB3 TYR 26 1HB TYR 26 19.120 -5.466 -6.234 188 HD1 TYR 26 2HD TYR 26 18.436 -7.325 -4.751 189 HD2 TYR 26 1HD TYR 26 15.620 -4.375 -6.107 190 HE1 TYR 26 2HE TYR 26 16.561 -8.795 -4.062 191 HE2 TYR 26 1HE TYR 26 13.749 -5.846 -5.418 192 HH TYR 26 HH TYR 26 13.551 -7.830 -3.562 193 H LYS 27 H LYS 27 20.953 -4.724 -5.800 194 HA LYS 27 HA LYS 27 22.915 -3.749 -6.581 195 HB2 LYS 27 2HB LYS 27 21.255 -2.282 -7.754 196 HB3 LYS 27 1HB LYS 27 21.350 -1.154 -6.403 197 HG2 LYS 27 2HG LYS 27 23.303 -0.294 -7.127 198 HG3 LYS 27 1HG LYS 27 24.001 -1.893 -7.381 199 HD2 LYS 27 2HD LYS 27 21.917 -0.990 -9.318 200 HD3 LYS 27 1HD LYS 27 23.500 -0.221 -9.418 201 HE2 LYS 27 2HE LYS 27 24.348 -2.041 -10.456 202 HE3 LYS 27 1HE LYS 27 23.858 -3.072 -9.099 203 HZ1 LYS 27 3HZ LYS 27 22.075 -2.166 -11.305 204 HZ2 LYS 27 1HZ LYS 27 21.611 -3.135 -9.991 205 HZ3 LYS 27 2HZ LYS 27 22.721 -3.728 -11.133 Start of MODEL 19 1 H1 MET 1 1HT MET 1 -8.236 -21.790 0.125 2 H2 MET 1 2HT MET 1 -8.147 -21.459 1.788 3 H3 MET 1 3HT MET 1 -6.726 -21.721 0.896 4 HA MET 1 HA MET 1 -7.174 -19.342 1.438 5 HB2 MET 1 2HB MET 1 -6.574 -18.623 -0.858 6 HB3 MET 1 1HB MET 1 -5.688 -20.062 -0.376 7 HG2 MET 1 2HG MET 1 -7.395 -21.440 -1.628 8 HG3 MET 1 1HG MET 1 -8.100 -19.933 -2.212 9 HE1 MET 1 2HE MET 1 -3.993 -21.707 -2.976 10 HE2 MET 1 3HE MET 1 -5.430 -22.671 -3.304 11 HE3 MET 1 1HE MET 1 -5.143 -22.019 -1.680 12 H ASP 2 H ASP 2 -8.848 -17.987 1.816 13 HA ASP 2 HA ASP 2 -11.224 -18.048 -0.016 14 HB2 ASP 2 2HB ASP 2 -11.219 -17.883 3.017 15 HB3 ASP 2 1HB ASP 2 -12.647 -17.866 1.987 16 H ARG 3 H ARG 3 -9.795 -16.174 2.718 17 HA ARG 3 HA ARG 3 -10.989 -13.670 1.855 18 HB2 ARG 3 2HB ARG 3 -8.827 -14.470 3.816 19 HB3 ARG 3 1HB ARG 3 -9.278 -12.786 3.567 20 HG2 ARG 3 2HG ARG 3 -11.707 -13.578 3.994 21 HG3 ARG 3 1HG ARG 3 -10.967 -15.032 4.667 22 HD2 ARG 3 2HD ARG 3 -9.829 -12.447 5.618 23 HD3 ARG 3 1HD ARG 3 -11.469 -12.832 6.172 24 HE ARG 3 HE ARG 3 -10.611 -14.918 7.128 25 HH11 ARG 3 1HH1 ARG 3 -8.259 -15.478 5.448 26 HH12 ARG 3 2HH1 ARG 3 -6.930 -15.000 6.449 27 HH21 ARG 3 1HH2 ARG 3 -8.910 -13.111 8.609 28 HH22 ARG 3 2HH2 ARG 3 -7.301 -13.648 8.258 29 H GLU 4 H GLU 4 -10.353 -12.932 -0.149 30 HA GLU 4 HA GLU 4 -7.499 -13.107 -0.975 31 HB2 GLU 4 2HB GLU 4 -10.037 -12.259 -2.415 32 HB3 GLU 4 1HB GLU 4 -8.451 -12.407 -3.171 33 HG2 GLU 4 2HG GLU 4 -8.385 -14.805 -2.528 34 HG3 GLU 4 1HG GLU 4 -9.996 -14.650 -1.833 35 H MET 5 H MET 5 -10.070 -10.578 -0.891 36 HA MET 5 HA MET 5 -8.060 -8.431 -1.053 37 HB2 MET 5 2HB MET 5 -10.659 -8.715 -1.848 38 HB3 MET 5 1HB MET 5 -10.875 -7.819 -0.344 39 HG2 MET 5 2HG MET 5 -8.776 -6.905 -2.280 40 HG3 MET 5 1HG MET 5 -10.465 -6.531 -2.613 41 HE1 MET 5 3HE MET 5 -7.612 -4.666 0.292 42 HE2 MET 5 1HE MET 5 -7.570 -4.676 -1.481 43 HE3 MET 5 2HE MET 5 -7.418 -6.181 -0.581 44 H ALA 6 H ALA 6 -10.329 -9.703 1.404 45 HA ALA 6 HA ALA 6 -9.772 -7.816 3.481 46 HB1 ALA 6 1HB ALA 6 -11.689 -9.350 3.440 47 HB2 ALA 6 2HB ALA 6 -10.761 -9.578 4.920 48 HB3 ALA 6 3HB ALA 6 -10.604 -10.730 3.597 49 H ALA 7 H ALA 7 -8.132 -10.873 2.598 50 HA ALA 7 HA ALA 7 -6.285 -10.645 4.906 51 HB1 ALA 7 1HB ALA 7 -7.321 -12.788 4.142 52 HB2 ALA 7 2HB ALA 7 -5.559 -12.840 4.168 53 HB3 ALA 7 3HB ALA 7 -6.411 -12.645 2.638 54 H SER 8 H SER 8 -6.231 -8.696 2.474 55 HA SER 8 HA SER 8 -3.618 -9.286 1.234 56 HB2 SER 8 2HB SER 8 -5.504 -8.350 -0.057 57 HB3 SER 8 1HB SER 8 -5.550 -6.954 1.011 58 HG SER 8 HG SER 8 -4.108 -7.266 -1.159 59 H ALA 9 H ALA 9 -2.917 -9.200 3.733 60 HA ALA 9 HA ALA 9 -1.837 -8.089 5.511 61 HB1 ALA 9 1HB ALA 9 -0.160 -6.380 4.165 62 HB2 ALA 9 2HB ALA 9 -0.676 -7.467 2.877 63 HB3 ALA 9 3HB ALA 9 0.095 -8.118 4.321 64 H GLY 10 H GLY 10 -3.760 -6.921 6.343 65 HA2 GLY 10 2HA GLY 10 -4.548 -4.861 7.256 66 HA3 GLY 10 1HA GLY 10 -3.383 -3.999 6.242 67 H GLY 11 H GLY 11 -3.849 -4.313 3.794 68 HA2 GLY 11 2HA GLY 11 -6.090 -4.922 2.464 69 HA3 GLY 11 1HA GLY 11 -6.643 -3.492 3.338 70 H ALA 12 H ALA 12 -3.575 -4.289 1.666 71 HA ALA 12 HA ALA 12 -2.482 -3.279 -0.143 72 HB1 ALA 12 1HB ALA 12 -3.741 -2.091 -1.716 73 HB2 ALA 12 2HB ALA 12 -4.774 -1.359 -0.489 74 HB3 ALA 12 3HB ALA 12 -4.979 -3.058 -0.916 75 H VAL 13 H VAL 13 -4.243 -0.924 1.891 76 HA VAL 13 HA VAL 13 -2.465 1.292 1.675 77 HB VAL 13 HB VAL 13 -4.134 0.323 4.034 78 HG11 VAL 13 1HG1 VAL 13 -4.080 2.567 4.847 79 HG12 VAL 13 2HG1 VAL 13 -3.354 3.170 3.357 80 HG13 VAL 13 3HG1 VAL 13 -2.409 2.164 4.456 81 HG21 VAL 13 3HG2 VAL 13 -5.635 0.541 2.205 82 HG22 VAL 13 1HG2 VAL 13 -4.797 1.959 1.574 83 HG23 VAL 13 2HG2 VAL 13 -5.757 2.083 3.048 84 H PHE 14 H PHE 14 -2.558 -1.432 3.956 85 HA PHE 14 HA PHE 14 -0.158 -0.683 5.422 86 HB2 PHE 14 2HB PHE 14 -2.280 -2.100 6.052 87 HB3 PHE 14 1HB PHE 14 -1.395 -3.423 5.303 88 HD1 PHE 14 1HD PHE 14 -1.317 -0.916 8.037 89 HD2 PHE 14 2HD PHE 14 0.540 -4.402 6.346 90 HE1 PHE 14 1HE PHE 14 0.030 -1.201 10.098 91 HE2 PHE 14 2HE PHE 14 1.885 -4.686 8.406 92 HZ PHE 14 HZ PHE 14 1.632 -3.086 10.284 93 H VAL 15 H VAL 15 -0.893 -2.807 2.662 94 HA VAL 15 HA VAL 15 1.529 -4.311 2.544 95 HB VAL 15 HB VAL 15 -0.390 -3.348 0.394 96 HG11 VAL 15 1HG1 VAL 15 1.345 -4.009 -0.966 97 HG12 VAL 15 2HG1 VAL 15 0.632 -5.593 -0.663 98 HG13 VAL 15 3HG1 VAL 15 2.044 -5.071 0.256 99 HG21 VAL 15 3HG2 VAL 15 -1.369 -4.808 2.145 100 HG22 VAL 15 1HG2 VAL 15 -0.118 -6.008 1.827 101 HG23 VAL 15 2HG2 VAL 15 -1.306 -5.626 0.584 102 H GLY 16 H GLY 16 0.688 -1.152 1.044 103 HA2 GLY 16 2HA GLY 16 3.122 -0.750 -0.372 104 HA3 GLY 16 1HA GLY 16 2.053 0.541 0.175 105 H LEU 17 H LEU 17 2.217 0.080 2.982 106 HA LEU 17 HA LEU 17 4.651 1.485 3.642 107 HB2 LEU 17 2HB LEU 17 2.259 0.396 4.991 108 HB3 LEU 17 1HB LEU 17 3.699 0.427 6.007 109 HG LEU 17 HG LEU 17 3.984 2.864 5.090 110 HD11 LEU 17 1HD1 LEU 17 1.776 3.934 4.636 111 HD12 LEU 17 2HD1 LEU 17 1.033 2.336 4.627 112 HD13 LEU 17 3HD1 LEU 17 2.225 2.760 3.400 113 HD21 LEU 17 3HD2 LEU 17 1.800 2.104 7.061 114 HD22 LEU 17 1HD2 LEU 17 2.537 3.701 6.934 115 HD23 LEU 17 2HD2 LEU 17 3.509 2.321 7.439 116 H VAL 18 H VAL 18 3.655 -1.938 4.106 117 HA VAL 18 HA VAL 18 6.115 -2.773 5.378 118 HB VAL 18 HB VAL 18 3.976 -4.277 3.822 119 HG11 VAL 18 1HG1 VAL 18 6.499 -5.172 5.091 120 HG12 VAL 18 2HG1 VAL 18 5.525 -5.952 3.846 121 HG13 VAL 18 3HG1 VAL 18 5.069 -6.101 5.543 122 HG21 VAL 18 3HG2 VAL 18 3.368 -3.030 5.979 123 HG22 VAL 18 1HG2 VAL 18 4.435 -4.159 6.815 124 HG23 VAL 18 2HG2 VAL 18 3.012 -4.756 5.961 125 H LEU 19 H LEU 19 4.973 -2.784 1.992 126 HA LEU 19 HA LEU 19 7.178 -4.103 0.758 127 HB2 LEU 19 2HB LEU 19 4.983 -3.558 -0.274 128 HB3 LEU 19 1HB LEU 19 5.412 -1.849 -0.258 129 HG LEU 19 HG LEU 19 7.523 -3.396 -1.506 130 HD11 LEU 19 1HD1 LEU 19 5.509 -4.892 -1.977 131 HD12 LEU 19 2HD1 LEU 19 6.370 -4.298 -3.397 132 HD13 LEU 19 3HD1 LEU 19 4.846 -3.551 -2.914 133 HD21 LEU 19 3HD2 LEU 19 5.595 -1.310 -2.586 134 HD22 LEU 19 1HD2 LEU 19 7.128 -1.780 -3.321 135 HD23 LEU 19 2HD2 LEU 19 7.113 -0.959 -1.762 136 H LEU 20 H LEU 20 6.752 -0.739 1.814 137 HA LEU 20 HA LEU 20 9.110 0.352 0.528 138 HB2 LEU 20 2HB LEU 20 6.986 1.507 1.450 139 HB3 LEU 20 1HB LEU 20 7.743 1.362 3.033 140 HG LEU 20 HG LEU 20 9.459 2.485 0.880 141 HD11 LEU 20 1HD1 LEU 20 7.241 4.125 2.140 142 HD12 LEU 20 2HD1 LEU 20 7.218 3.539 0.476 143 HD13 LEU 20 3HD1 LEU 20 8.451 4.690 0.988 144 HD21 LEU 20 3HD2 LEU 20 8.870 3.424 3.706 145 HD22 LEU 20 1HD2 LEU 20 10.255 3.861 2.705 146 HD23 LEU 20 2HD2 LEU 20 10.095 2.216 3.316 147 H THR 21 H THR 21 8.416 -0.821 3.841 148 HA THR 21 HA THR 21 11.117 -0.364 4.835 149 HB THR 21 HB THR 21 8.833 -2.070 5.884 150 HG1 THR 21 1HG THR 21 8.022 -0.096 5.932 151 HG21 THR 21 3HG2 THR 21 10.675 -2.716 7.161 152 HG22 THR 21 1HG2 THR 21 10.035 -1.369 8.101 153 HG23 THR 21 2HG2 THR 21 11.434 -1.127 7.054 154 H LEU 22 H LEU 22 9.449 -3.101 3.319 155 HA LEU 22 HA LEU 22 11.801 -4.862 3.817 156 HB2 LEU 22 2HB LEU 22 9.106 -5.277 4.075 157 HB3 LEU 22 1HB LEU 22 9.380 -5.894 2.447 158 HG LEU 22 HG LEU 22 11.188 -6.701 4.723 159 HD11 LEU 22 1HD1 LEU 22 8.624 -8.095 3.894 160 HD12 LEU 22 2HD1 LEU 22 8.832 -7.174 5.384 161 HD13 LEU 22 3HD1 LEU 22 9.767 -8.645 5.120 162 HD21 LEU 22 3HD2 LEU 22 11.452 -8.718 3.276 163 HD22 LEU 22 1HD2 LEU 22 11.913 -7.235 2.439 164 HD23 LEU 22 2HD2 LEU 22 10.357 -7.991 2.100 165 H SER 23 H SER 23 12.690 -3.106 2.178 166 HA SER 23 HA SER 23 12.279 -4.099 -0.627 167 HB2 SER 23 2HB SER 23 11.551 -1.768 -0.112 168 HB3 SER 23 1HB SER 23 13.195 -1.385 0.380 169 HG SER 23 HG SER 23 13.870 -1.748 -1.721 170 HA PRO 24 HA PRO 24 16.705 -4.944 0.450 171 HB2 PRO 24 2HB PRO 24 16.692 -7.639 0.002 172 HB3 PRO 24 1HB PRO 24 16.227 -6.922 1.556 173 HG2 PRO 24 2HG PRO 24 14.555 -8.166 -0.495 174 HG3 PRO 24 1HG PRO 24 14.242 -7.921 1.226 175 HD2 PRO 24 2HD PRO 24 13.234 -6.405 -0.959 176 HD3 PRO 24 1HD PRO 24 12.991 -6.119 0.777 177 H HIS 25 H HIS 25 16.499 -3.650 -1.725 178 HA HIS 25 HA HIS 25 17.114 -3.363 -3.965 179 HB2 HIS 25 2HB HIS 25 18.622 -5.732 -2.952 180 HB3 HIS 25 1HB HIS 25 18.623 -5.485 -4.697 181 HD1 HIS 25 1HD HIS 25 19.273 -2.891 -5.425 182 HD2 HIS 25 2HD HIS 25 20.491 -4.171 -1.649 183 HE1 HIS 25 1HE HIS 25 21.099 -1.301 -4.684 184 H TYR 26 H TYR 26 14.566 -4.038 -3.894 185 HA TYR 26 HA TYR 26 14.196 -6.264 -5.878 186 HB2 TYR 26 2HB TYR 26 13.344 -6.465 -3.452 187 HB3 TYR 26 1HB TYR 26 12.152 -5.245 -3.901 188 HD1 TYR 26 1HD TYR 26 13.467 -8.618 -4.800 189 HD2 TYR 26 2HD TYR 26 10.234 -5.814 -5.176 190 HE1 TYR 26 1HE TYR 26 12.071 -10.367 -5.866 191 HE2 TYR 26 2HE TYR 26 8.840 -7.563 -6.242 192 HH TYR 26 HH TYR 26 9.055 -10.464 -6.033 193 H LYS 27 H LYS 27 12.348 -5.921 -7.377 194 HA LYS 27 HA LYS 27 11.845 -3.019 -7.957 195 HB2 LYS 27 2HB LYS 27 12.412 -5.432 -9.666 196 HB3 LYS 27 1HB LYS 27 11.532 -4.063 -10.344 197 HG2 LYS 27 2HG LYS 27 13.394 -2.559 -9.595 198 HG3 LYS 27 1HG LYS 27 14.291 -3.992 -9.091 199 HD2 LYS 27 2HD LYS 27 15.135 -3.760 -11.226 200 HD3 LYS 27 1HD LYS 27 13.737 -4.777 -11.579 201 HE2 LYS 27 2HE LYS 27 12.400 -2.725 -12.081 202 HE3 LYS 27 1HE LYS 27 13.859 -1.747 -11.828 203 HZ1 LYS 27 3HZ LYS 27 13.607 -2.324 -14.166 204 HZ2 LYS 27 1HZ LYS 27 13.590 -3.975 -13.785 205 HZ3 LYS 27 2HZ LYS 27 14.997 -3.054 -13.520 Start of MODEL 20 1 H1 MET 1 1HT MET 1 -20.651 5.803 -0.051 2 H2 MET 1 2HT MET 1 -20.341 7.464 0.119 3 H3 MET 1 3HT MET 1 -19.593 6.345 1.157 4 HA MET 1 HA MET 1 -19.104 6.640 -1.769 5 HB2 MET 1 2HB MET 1 -17.751 7.474 0.781 6 HB3 MET 1 1HB MET 1 -16.750 7.082 -0.614 7 HG2 MET 1 2HG MET 1 -17.388 8.943 -1.762 8 HG3 MET 1 1HG MET 1 -19.057 8.840 -1.200 9 HE1 MET 1 2HE MET 1 -15.393 10.464 0.926 10 HE2 MET 1 3HE MET 1 -15.767 11.082 -0.680 11 HE3 MET 1 1HE MET 1 -15.527 9.345 -0.425 12 H ASP 2 H ASP 2 -19.073 4.504 -2.464 13 HA ASP 2 HA ASP 2 -17.593 2.489 -0.806 14 HB2 ASP 2 2HB ASP 2 -19.699 2.213 -2.977 15 HB3 ASP 2 1HB ASP 2 -18.972 0.869 -2.094 16 H ARG 3 H ARG 3 -16.188 4.377 -2.467 17 HA ARG 3 HA ARG 3 -15.099 2.620 -4.648 18 HB2 ARG 3 2HB ARG 3 -15.630 5.574 -4.400 19 HB3 ARG 3 1HB ARG 3 -14.351 5.015 -5.472 20 HG2 ARG 3 2HG ARG 3 -16.247 5.127 -6.872 21 HG3 ARG 3 1HG ARG 3 -16.110 3.421 -6.470 22 HD2 ARG 3 2HD ARG 3 -18.466 4.375 -6.321 23 HD3 ARG 3 1HD ARG 3 -17.902 3.591 -4.840 24 HE ARG 3 HE ARG 3 -17.800 5.722 -3.787 25 HH11 ARG 3 1HH2 ARG 3 -20.117 6.378 -5.659 26 HH12 ARG 3 2HH2 ARG 3 -19.603 7.893 -6.318 27 HH21 ARG 3 1HH1 ARG 3 -16.294 7.498 -5.295 28 HH22 ARG 3 2HH1 ARG 3 -17.416 8.534 -6.110 29 H GLU 4 H GLU 4 -14.292 5.185 -2.296 30 HA GLU 4 HA GLU 4 -11.419 4.468 -2.351 31 HB2 GLU 4 2HB GLU 4 -12.351 6.824 -2.397 32 HB3 GLU 4 1HB GLU 4 -12.909 6.563 -0.745 33 HG2 GLU 4 2HG GLU 4 -10.138 5.769 -0.979 34 HG3 GLU 4 1HG GLU 4 -10.344 7.420 -1.564 35 H MET 5 H MET 5 -14.230 4.419 -0.155 36 HA MET 5 HA MET 5 -12.661 3.175 2.029 37 HB2 MET 5 2HB MET 5 -15.400 4.351 1.653 38 HB3 MET 5 1HB MET 5 -15.082 3.321 3.047 39 HG2 MET 5 2HG MET 5 -13.795 4.888 4.067 40 HG3 MET 5 1HG MET 5 -12.998 5.350 2.564 41 HE1 MET 5 3HE MET 5 -13.286 8.057 2.086 42 HE2 MET 5 1HE MET 5 -14.739 8.112 1.074 43 HE3 MET 5 2HE MET 5 -13.632 6.749 0.961 44 H ALA 6 H ALA 6 -13.543 1.752 -0.669 45 HA ALA 6 HA ALA 6 -15.155 -0.480 0.461 46 HB1 ALA 6 1HB ALA 6 -15.918 0.354 -1.648 47 HB2 ALA 6 2HB ALA 6 -15.086 -1.155 -2.019 48 HB3 ALA 6 3HB ALA 6 -14.283 0.388 -2.309 49 H ALA 7 H ALA 7 -12.314 -0.310 -1.735 50 HA ALA 7 HA ALA 7 -10.796 -2.184 0.004 51 HB1 ALA 7 1HB ALA 7 -10.529 -3.748 -1.920 52 HB2 ALA 7 2HB ALA 7 -11.667 -2.764 -2.840 53 HB3 ALA 7 3HB ALA 7 -12.204 -3.606 -1.387 54 H SER 8 H SER 8 -10.566 0.666 -1.297 55 HA SER 8 HA SER 8 -7.982 0.271 -2.746 56 HB2 SER 8 2HB SER 8 -8.498 2.724 -3.393 57 HB3 SER 8 1HB SER 8 -9.501 1.464 -4.096 58 HG SER 8 HG SER 8 -11.109 2.494 -3.204 59 H ALA 9 H ALA 9 -9.477 2.449 -0.268 60 HA ALA 9 HA ALA 9 -6.753 3.258 0.604 61 HB1 ALA 9 1HB ALA 9 -9.527 4.076 1.529 62 HB2 ALA 9 2HB ALA 9 -8.577 4.910 0.300 63 HB3 ALA 9 3HB ALA 9 -8.018 4.874 1.972 64 H GLY 10 H GLY 10 -6.393 0.883 1.308 65 HA2 GLY 10 2HA GLY 10 -6.603 0.682 4.164 66 HA3 GLY 10 1HA GLY 10 -7.812 -0.357 3.415 67 H GLY 11 H GLY 11 -7.037 -2.064 1.955 68 HA2 GLY 11 2HA GLY 11 -4.879 -3.586 2.971 69 HA3 GLY 11 1HA GLY 11 -5.618 -3.844 1.395 70 H ALA 12 H ALA 12 -4.959 -1.537 0.043 71 HA ALA 12 HA ALA 12 -2.294 -1.971 -0.859 72 HB1 ALA 12 1HB ALA 12 -4.110 0.455 -1.034 73 HB2 ALA 12 2HB ALA 12 -4.052 -0.891 -2.174 74 HB3 ALA 12 3HB ALA 12 -2.675 0.201 -2.028 75 H VAL 13 H VAL 13 -3.578 0.311 1.560 76 HA VAL 13 HA VAL 13 -1.161 1.839 1.936 77 HB VAL 13 HB VAL 13 -3.502 1.291 3.800 78 HG11 VAL 13 1HG1 VAL 13 -1.590 3.644 3.758 79 HG12 VAL 13 2HG1 VAL 13 -1.463 2.290 4.881 80 HG13 VAL 13 3HG1 VAL 13 -2.877 3.342 4.926 81 HG21 VAL 13 3HG2 VAL 13 -4.045 3.715 2.862 82 HG22 VAL 13 1HG2 VAL 13 -4.525 2.281 1.955 83 HG23 VAL 13 2HG2 VAL 13 -3.073 3.169 1.496 84 H PHE 14 H PHE 14 -2.537 -0.984 3.680 85 HA PHE 14 HA PHE 14 -0.415 -1.207 5.623 86 HB2 PHE 14 2HB PHE 14 -2.841 -2.197 5.498 87 HB3 PHE 14 1HB PHE 14 -2.071 -3.517 4.621 88 HD1 PHE 14 1HD PHE 14 -0.384 -4.948 5.714 89 HD2 PHE 14 2HD PHE 14 -2.402 -1.820 7.859 90 HE1 PHE 14 1HE PHE 14 0.385 -5.923 7.862 91 HE2 PHE 14 2HE PHE 14 -1.632 -2.795 10.005 92 HZ PHE 14 HZ PHE 14 -0.238 -4.847 10.006 93 H VAL 15 H VAL 15 -1.033 -2.974 2.559 94 HA VAL 15 HA VAL 15 1.378 -4.564 2.649 95 HB VAL 15 HB VAL 15 -0.493 -3.713 0.410 96 HG11 VAL 15 1HG1 VAL 15 1.331 -4.401 -0.846 97 HG12 VAL 15 2HG1 VAL 15 0.545 -5.955 -0.572 98 HG13 VAL 15 3HG1 VAL 15 1.928 -5.480 0.414 99 HG21 VAL 15 3HG2 VAL 15 -0.325 -6.495 1.483 100 HG22 VAL 15 1HG2 VAL 15 -1.726 -5.600 0.896 101 HG23 VAL 15 2HG2 VAL 15 -1.092 -5.284 2.509 102 H GLY 16 H GLY 16 0.584 -1.428 1.125 103 HA2 GLY 16 2HA GLY 16 3.011 -1.049 -0.313 104 HA3 GLY 16 1HA GLY 16 1.946 0.246 0.233 105 H LEU 17 H LEU 17 2.106 -0.121 3.021 106 HA LEU 17 HA LEU 17 4.515 1.274 3.708 107 HB2 LEU 17 2HB LEU 17 2.343 1.290 4.943 108 HB3 LEU 17 1HB LEU 17 2.638 -0.374 5.440 109 HG LEU 17 HG LEU 17 4.973 1.168 6.067 110 HD11 LEU 17 1HD1 LEU 17 4.117 2.864 7.524 111 HD12 LEU 17 2HD1 LEU 17 2.461 2.291 7.330 112 HD13 LEU 17 3HD1 LEU 17 3.287 3.074 5.983 113 HD21 LEU 17 3HD2 LEU 17 2.833 0.068 7.917 114 HD22 LEU 17 1HD2 LEU 17 4.537 0.330 8.295 115 HD23 LEU 17 2HD2 LEU 17 4.071 -0.930 7.154 116 H VAL 18 H VAL 18 3.605 -2.178 4.109 117 HA VAL 18 HA VAL 18 6.052 -3.030 5.363 118 HB VAL 18 HB VAL 18 3.944 -4.447 3.689 119 HG11 VAL 18 1HG1 VAL 18 6.278 -5.570 5.260 120 HG12 VAL 18 2HG1 VAL 18 5.883 -5.851 3.565 121 HG13 VAL 18 3HG1 VAL 18 4.863 -6.532 4.831 122 HG21 VAL 18 3HG2 VAL 18 3.345 -3.393 5.943 123 HG22 VAL 18 1HG2 VAL 18 4.432 -4.573 6.675 124 HG23 VAL 18 2HG2 VAL 18 3.009 -5.117 5.787 125 H LEU 19 H LEU 19 5.017 -2.876 1.942 126 HA LEU 19 HA LEU 19 7.386 -4.055 0.801 127 HB2 LEU 19 2HB LEU 19 5.037 -3.567 -0.196 128 HB3 LEU 19 1HB LEU 19 5.658 -1.944 -0.495 129 HG LEU 19 HG LEU 19 7.708 -3.345 -1.516 130 HD11 LEU 19 1HD1 LEU 19 6.494 -5.221 -2.879 131 HD12 LEU 19 2HD1 LEU 19 5.311 -5.168 -1.573 132 HD13 LEU 19 3HD1 LEU 19 6.994 -5.559 -1.223 133 HD21 LEU 19 3HD2 LEU 19 6.129 -3.318 -3.711 134 HD22 LEU 19 1HD2 LEU 19 6.817 -1.851 -3.017 135 HD23 LEU 19 2HD2 LEU 19 5.154 -2.306 -2.647 136 H LEU 20 H LEU 20 6.551 -0.743 1.783 137 HA LEU 20 HA LEU 20 8.813 0.578 0.551 138 HB2 LEU 20 2HB LEU 20 6.464 1.328 1.720 139 HB3 LEU 20 1HB LEU 20 7.591 1.696 3.018 140 HG LEU 20 HG LEU 20 7.319 3.668 1.644 141 HD11 LEU 20 1HD1 LEU 20 9.970 2.507 0.789 142 HD12 LEU 20 2HD1 LEU 20 9.655 2.976 2.459 143 HD13 LEU 20 3HD1 LEU 20 9.581 4.182 1.176 144 HD21 LEU 20 3HD2 LEU 20 8.245 3.394 -0.820 145 HD22 LEU 20 1HD2 LEU 20 6.564 3.010 -0.451 146 HD23 LEU 20 2HD2 LEU 20 7.753 1.717 -0.593 147 H THR 21 H THR 21 8.272 -0.892 3.768 148 HA THR 21 HA THR 21 10.739 0.067 4.933 149 HB THR 21 HB THR 21 8.463 -0.969 5.895 150 HG1 THR 21 1HG THR 21 9.704 -0.102 7.375 151 HG21 THR 21 3HG2 THR 21 8.556 -3.206 6.558 152 HG22 THR 21 1HG2 THR 21 10.306 -3.299 6.357 153 HG23 THR 21 2HG2 THR 21 9.255 -3.276 4.942 154 H LEU 22 H LEU 22 10.024 -2.655 2.823 155 HA LEU 22 HA LEU 22 12.729 -3.828 3.335 156 HB2 LEU 22 2HB LEU 22 10.113 -4.861 2.930 157 HB3 LEU 22 1HB LEU 22 11.069 -5.332 1.526 158 HG LEU 22 HG LEU 22 12.450 -5.634 4.126 159 HD11 LEU 22 1HD1 LEU 22 10.068 -7.356 3.378 160 HD12 LEU 22 2HD1 LEU 22 10.224 -6.346 4.814 161 HD13 LEU 22 3HD1 LEU 22 11.249 -7.767 4.622 162 HD21 LEU 22 3HD2 LEU 22 13.449 -6.406 2.032 163 HD22 LEU 22 1HD2 LEU 22 12.027 -7.387 1.681 164 HD23 LEU 22 2HD2 LEU 22 13.073 -7.805 3.038 165 H SER 23 H SER 23 10.692 -2.412 0.791 166 HA SER 23 HA SER 23 11.227 -1.489 -1.282 167 HB2 SER 23 2HB SER 23 13.493 -1.180 0.304 168 HB3 SER 23 1HB SER 23 14.118 -1.946 -1.152 169 HG SER 23 HG SER 23 14.025 0.333 -1.343 170 HA PRO 24 HA PRO 24 11.882 -4.996 -3.905 171 HB2 PRO 24 2HB PRO 24 12.372 -3.777 -6.300 172 HB3 PRO 24 1HB PRO 24 10.782 -3.755 -5.515 173 HG2 PRO 24 2HG PRO 24 12.730 -1.601 -5.828 174 HG3 PRO 24 1HG PRO 24 10.993 -1.520 -5.515 175 HD2 PRO 24 2HD PRO 24 13.127 -1.192 -3.653 176 HD3 PRO 24 1HD PRO 24 11.379 -1.145 -3.338 177 H HIS 25 H HIS 25 14.074 -5.051 -2.466 178 HA HIS 25 HA HIS 25 16.375 -5.496 -2.356 179 HB2 HIS 25 2HB HIS 25 15.440 -6.353 -5.079 180 HB3 HIS 25 1HB HIS 25 17.157 -6.456 -4.703 181 HD1 HIS 25 1HD HIS 25 17.915 -8.328 -3.166 182 HD2 HIS 25 2HD HIS 25 13.764 -7.969 -3.312 183 HE1 HIS 25 1HE HIS 25 16.978 -10.333 -1.935 184 H TYR 26 H TYR 26 15.862 -2.761 -2.658 185 HA TYR 26 HA TYR 26 18.075 -1.873 -4.481 186 HB2 TYR 26 2HB TYR 26 15.616 -1.404 -5.111 187 HB3 TYR 26 1HB TYR 26 15.624 -0.262 -3.767 188 HD1 TYR 26 2HD TYR 26 17.251 -1.111 -6.999 189 HD2 TYR 26 1HD TYR 26 16.729 1.847 -3.928 190 HE1 TYR 26 2HE TYR 26 18.373 0.573 -8.430 191 HE2 TYR 26 1HE TYR 26 17.852 3.531 -5.361 192 HH TYR 26 HH TYR 26 19.726 3.157 -7.504 193 H LYS 27 H LYS 27 19.706 -0.917 -3.367 194 HA LYS 27 HA LYS 27 20.928 0.142 -1.674 195 HB2 LYS 27 2HB LYS 27 19.159 1.838 -2.567 196 HB3 LYS 27 1HB LYS 27 18.361 1.583 -1.017 197 HG2 LYS 27 2HG LYS 27 19.776 3.467 -0.691 198 HG3 LYS 27 1HG LYS 27 20.614 2.117 0.072 199 HD2 LYS 27 2HD LYS 27 22.160 1.916 -1.715 200 HD3 LYS 27 1HD LYS 27 21.164 2.892 -2.794 201 HE2 LYS 27 2HE LYS 27 22.926 4.352 -2.102 202 HE3 LYS 27 1HE LYS 27 21.540 4.821 -1.100 203 HZ1 LYS 27 3HZ LYS 27 23.619 4.440 0.186 204 HZ2 LYS 27 1HZ LYS 27 23.572 2.810 -0.275 205 HZ3 LYS 27 2HZ LYS 27 22.323 3.459 0.678 Start of MODEL 21 1 H1 MET 1 1HT MET 1 -8.589 -9.686 17.778 2 H2 MET 1 2HT MET 1 -8.799 -11.314 17.333 3 H3 MET 1 3HT MET 1 -10.094 -10.220 17.219 4 HA MET 1 HA MET 1 -9.213 -9.124 15.379 5 HB2 MET 1 2HB MET 1 -6.848 -9.369 14.759 6 HB3 MET 1 1HB MET 1 -6.998 -8.857 16.436 7 HG2 MET 1 2HG MET 1 -6.938 -11.787 16.086 8 HG3 MET 1 1HG MET 1 -5.466 -10.971 15.566 9 HE1 MET 1 2HE MET 1 -4.479 -12.624 17.510 10 HE2 MET 1 3HE MET 1 -3.807 -11.610 18.783 11 HE3 MET 1 1HE MET 1 -3.641 -11.136 17.084 12 H ASP 2 H ASP 2 -10.626 -11.691 15.726 13 HA ASP 2 HA ASP 2 -9.483 -13.495 13.670 14 HB2 ASP 2 2HB ASP 2 -10.571 -14.216 15.857 15 HB3 ASP 2 1HB ASP 2 -12.108 -13.677 15.179 16 H ARG 3 H ARG 3 -12.460 -11.560 14.180 17 HA ARG 3 HA ARG 3 -13.116 -11.826 11.275 18 HB2 ARG 3 2HB ARG 3 -14.703 -12.399 13.223 19 HB3 ARG 3 1HB ARG 3 -14.816 -10.658 13.484 20 HG2 ARG 3 2HG ARG 3 -16.621 -11.066 12.052 21 HG3 ARG 3 1HG ARG 3 -15.360 -10.550 10.933 22 HD2 ARG 3 2HD ARG 3 -14.827 -13.189 10.932 23 HD3 ARG 3 1HD ARG 3 -16.560 -13.259 11.309 24 HE ARG 3 HE ARG 3 -16.471 -11.423 9.256 25 HH11 ARG 3 1HH2 ARG 3 -13.942 -12.839 8.399 26 HH12 ARG 3 2HH2 ARG 3 -14.558 -14.029 7.304 27 HH21 ARG 3 1HH1 ARG 3 -17.845 -13.718 8.426 28 HH22 ARG 3 2HH1 ARG 3 -16.793 -14.533 7.321 29 H GLU 4 H GLU 4 -11.835 -9.537 13.553 30 HA GLU 4 HA GLU 4 -12.775 -7.091 12.310 31 HB2 GLU 4 2HB GLU 4 -10.341 -7.614 14.045 32 HB3 GLU 4 1HB GLU 4 -11.104 -6.052 13.769 33 HG2 GLU 4 2HG GLU 4 -12.397 -6.456 15.569 34 HG3 GLU 4 1HG GLU 4 -13.190 -7.727 14.639 35 H MET 5 H MET 5 -9.649 -8.859 12.143 36 HA MET 5 HA MET 5 -8.527 -7.049 10.147 37 HB2 MET 5 2HB MET 5 -7.479 -8.699 11.973 38 HB3 MET 5 1HB MET 5 -7.470 -9.807 10.602 39 HG2 MET 5 2HG MET 5 -6.484 -7.517 9.456 40 HG3 MET 5 1HG MET 5 -5.827 -7.406 11.089 41 HE1 MET 5 3HE MET 5 -5.220 -10.579 11.949 42 HE2 MET 5 1HE MET 5 -4.608 -8.945 12.261 43 HE3 MET 5 2HE MET 5 -3.533 -10.188 11.630 44 H ALA 6 H ALA 6 -9.833 -10.386 10.041 45 HA ALA 6 HA ALA 6 -10.541 -11.733 8.257 46 HB1 ALA 6 1HB ALA 6 -11.151 -9.027 7.040 47 HB2 ALA 6 2HB ALA 6 -12.145 -9.806 8.272 48 HB3 ALA 6 3HB ALA 6 -11.960 -10.555 6.686 49 H ALA 7 H ALA 7 -7.701 -11.022 8.215 50 HA ALA 7 HA ALA 7 -5.819 -11.106 6.831 51 HB1 ALA 7 1HB ALA 7 -7.765 -12.469 4.963 52 HB2 ALA 7 2HB ALA 7 -7.087 -13.236 6.402 53 HB3 ALA 7 3HB ALA 7 -6.027 -12.738 5.083 54 H SER 8 H SER 8 -7.108 -8.616 6.608 55 HA SER 8 HA SER 8 -7.266 -7.945 3.719 56 HB2 SER 8 2HB SER 8 -8.913 -7.114 5.408 57 HB3 SER 8 1HB SER 8 -7.609 -6.247 6.208 58 HG SER 8 HG SER 8 -8.557 -5.902 3.542 59 H ALA 9 H ALA 9 -4.737 -8.264 5.908 60 HA ALA 9 HA ALA 9 -2.559 -7.404 6.044 61 HB1 ALA 9 1HB ALA 9 -3.168 -6.593 3.182 62 HB2 ALA 9 2HB ALA 9 -2.761 -8.239 3.665 63 HB3 ALA 9 3HB ALA 9 -1.581 -6.944 3.868 64 H GLY 10 H GLY 10 -4.184 -5.734 7.331 65 HA2 GLY 10 2HA GLY 10 -4.113 -3.504 8.157 66 HA3 GLY 10 1HA GLY 10 -3.070 -3.065 6.801 67 H GLY 11 H GLY 11 -4.264 -3.383 4.602 68 HA2 GLY 11 2HA GLY 11 -6.824 -3.317 3.893 69 HA3 GLY 11 1HA GLY 11 -6.730 -1.759 4.722 70 H ALA 12 H ALA 12 -4.466 -3.464 2.550 71 HA ALA 12 HA ALA 12 -3.559 -2.902 0.466 72 HB1 ALA 12 1HB ALA 12 -4.760 -1.482 -0.946 73 HB2 ALA 12 2HB ALA 12 -5.236 -0.407 0.366 74 HB3 ALA 12 3HB ALA 12 -6.013 -1.982 0.189 75 H VAL 13 H VAL 13 -4.152 -0.056 2.537 76 HA VAL 13 HA VAL 13 -1.917 1.538 1.774 77 HB VAL 13 HB VAL 13 -3.294 1.256 4.474 78 HG11 VAL 13 1HG1 VAL 13 -1.802 3.603 3.254 79 HG12 VAL 13 2HG1 VAL 13 -1.191 2.569 4.545 80 HG13 VAL 13 3HG1 VAL 13 -2.603 3.587 4.825 81 HG21 VAL 13 3HG2 VAL 13 -3.996 2.786 1.961 82 HG22 VAL 13 1HG2 VAL 13 -4.566 3.318 3.542 83 HG23 VAL 13 2HG2 VAL 13 -5.028 1.731 2.928 84 H PHE 14 H PHE 14 -2.268 -0.890 4.371 85 HA PHE 14 HA PHE 14 0.405 -0.687 5.411 86 HB2 PHE 14 2HB PHE 14 -1.773 -1.680 6.397 87 HB3 PHE 14 1HB PHE 14 -1.361 -3.130 5.489 88 HD1 PHE 14 1HD PHE 14 0.123 -0.685 7.917 89 HD2 PHE 14 2HD PHE 14 0.114 -4.706 6.407 90 HE1 PHE 14 1HE PHE 14 1.722 -1.354 9.689 91 HE2 PHE 14 2HE PHE 14 1.712 -5.375 8.179 92 HZ PHE 14 HZ PHE 14 2.518 -3.699 9.821 93 H VAL 15 H VAL 15 -1.027 -2.711 2.836 94 HA VAL 15 HA VAL 15 1.114 -4.558 2.469 95 HB VAL 15 HB VAL 15 -0.864 -3.316 0.516 96 HG11 VAL 15 1HG1 VAL 15 1.002 -5.686 0.214 97 HG12 VAL 15 2HG1 VAL 15 0.906 -4.254 -0.812 98 HG13 VAL 15 3HG1 VAL 15 -0.407 -5.430 -0.815 99 HG21 VAL 15 3HG2 VAL 15 -2.232 -5.220 0.953 100 HG22 VAL 15 1HG2 VAL 15 -1.687 -4.679 2.540 101 HG23 VAL 15 2HG2 VAL 15 -0.922 -6.070 1.773 102 H GLY 16 H GLY 16 0.542 -1.345 0.976 103 HA2 GLY 16 2HA GLY 16 2.996 -1.310 -0.543 104 HA3 GLY 16 1HA GLY 16 2.000 0.100 -0.168 105 H LEU 17 H LEU 17 2.058 -0.171 2.695 106 HA LEU 17 HA LEU 17 4.463 1.246 3.365 107 HB2 LEU 17 2HB LEU 17 1.992 0.448 4.571 108 HB3 LEU 17 1HB LEU 17 3.293 -0.025 5.659 109 HG LEU 17 HG LEU 17 3.871 2.595 4.640 110 HD11 LEU 17 1HD1 LEU 17 1.100 2.237 5.815 111 HD12 LEU 17 2HD1 LEU 17 1.492 2.864 4.214 112 HD13 LEU 17 3HD1 LEU 17 1.919 3.790 5.653 113 HD21 LEU 17 3HD2 LEU 17 4.726 1.762 6.749 114 HD22 LEU 17 1HD2 LEU 17 3.093 1.501 7.361 115 HD23 LEU 17 2HD2 LEU 17 3.685 3.141 7.098 116 H VAL 18 H VAL 18 3.492 -2.168 3.852 117 HA VAL 18 HA VAL 18 5.798 -3.067 5.286 118 HB VAL 18 HB VAL 18 3.798 -4.373 3.415 119 HG11 VAL 18 1HG1 VAL 18 4.685 -6.546 4.525 120 HG12 VAL 18 2HG1 VAL 18 6.144 -5.611 4.856 121 HG13 VAL 18 3HG1 VAL 18 5.615 -5.862 3.191 122 HG21 VAL 18 3HG2 VAL 18 4.202 -4.771 6.387 123 HG22 VAL 18 1HG2 VAL 18 2.785 -5.176 5.418 124 HG23 VAL 18 2HG2 VAL 18 3.177 -3.489 5.745 125 H LEU 19 H LEU 19 5.138 -2.808 1.792 126 HA LEU 19 HA LEU 19 7.549 -4.010 0.804 127 HB2 LEU 19 2HB LEU 19 5.366 -3.446 -0.392 128 HB3 LEU 19 1HB LEU 19 5.925 -1.776 -0.445 129 HG LEU 19 HG LEU 19 8.004 -3.590 -1.360 130 HD11 LEU 19 1HD1 LEU 19 5.433 -3.575 -2.970 131 HD12 LEU 19 2HD1 LEU 19 5.984 -4.944 -2.003 132 HD13 LEU 19 3HD1 LEU 19 6.938 -4.397 -3.382 133 HD21 LEU 19 3HD2 LEU 19 6.457 -1.452 -2.858 134 HD22 LEU 19 1HD2 LEU 19 8.090 -2.026 -3.199 135 HD23 LEU 19 2HD2 LEU 19 7.770 -1.094 -1.736 136 H LEU 20 H LEU 20 6.715 -0.609 1.572 137 HA LEU 20 HA LEU 20 9.130 0.641 0.718 138 HB2 LEU 20 2HB LEU 20 6.839 1.580 1.519 139 HB3 LEU 20 1HB LEU 20 7.527 1.475 3.137 140 HG LEU 20 HG LEU 20 9.165 2.795 1.008 141 HD11 LEU 20 1HD1 LEU 20 8.027 4.916 1.311 142 HD12 LEU 20 2HD1 LEU 20 6.911 4.198 2.472 143 HD13 LEU 20 3HD1 LEU 20 6.847 3.720 0.775 144 HD21 LEU 20 3HD2 LEU 20 9.555 4.306 3.100 145 HD22 LEU 20 1HD2 LEU 20 10.243 2.683 3.106 146 HD23 LEU 20 2HD2 LEU 20 8.755 3.011 3.993 147 H THR 21 H THR 21 8.232 -0.701 3.917 148 HA THR 21 HA THR 21 10.688 -0.075 5.270 149 HB THR 21 HB THR 21 8.714 -2.335 5.754 150 HG1 THR 21 1HG THR 21 7.397 -0.817 6.330 151 HG21 THR 21 3HG2 THR 21 9.454 -1.712 8.191 152 HG22 THR 21 1HG2 THR 21 10.877 -1.044 7.390 153 HG23 THR 21 2HG2 THR 21 10.486 -2.754 7.212 154 H LEU 22 H LEU 22 9.692 -2.836 3.263 155 HA LEU 22 HA LEU 22 11.874 -4.603 3.851 156 HB2 LEU 22 2HB LEU 22 9.661 -4.352 1.969 157 HB3 LEU 22 1HB LEU 22 11.095 -4.983 1.170 158 HG LEU 22 HG LEU 22 9.745 -6.819 2.051 159 HD11 LEU 22 1HD1 LEU 22 11.473 -8.025 3.115 160 HD12 LEU 22 2HD1 LEU 22 12.137 -6.579 3.873 161 HD13 LEU 22 3HD1 LEU 22 12.319 -6.827 2.137 162 HD21 LEU 22 3HD2 LEU 22 9.768 -6.962 4.682 163 HD22 LEU 22 1HD2 LEU 22 8.529 -6.007 3.871 164 HD23 LEU 22 2HD2 LEU 22 9.930 -5.209 4.587 165 H SER 23 H SER 23 11.530 -1.878 1.600 166 HA SER 23 HA SER 23 14.109 -2.341 0.274 167 HB2 SER 23 2HB SER 23 12.219 0.040 0.276 168 HB3 SER 23 1HB SER 23 13.513 -0.249 -0.879 169 HG SER 23 HG SER 23 11.553 -0.981 -1.730 170 HA PRO 24 HA PRO 24 16.171 -0.245 3.711 171 HB2 PRO 24 2HB PRO 24 18.716 -0.498 2.750 172 HB3 PRO 24 1HB PRO 24 17.843 -1.820 3.552 173 HG2 PRO 24 2HG PRO 24 18.273 -1.333 0.651 174 HG3 PRO 24 1HG PRO 24 18.304 -2.854 1.559 175 HD2 PRO 24 2HD PRO 24 16.188 -2.083 0.050 176 HD3 PRO 24 1HD PRO 24 16.031 -3.097 1.501 177 H HIS 25 H HIS 25 16.500 1.937 3.943 178 HA HIS 25 HA HIS 25 17.567 3.546 1.667 179 HB2 HIS 25 2HB HIS 25 14.911 3.254 2.022 180 HB3 HIS 25 1HB HIS 25 15.188 4.592 3.133 181 HD1 HIS 25 1HD HIS 25 14.271 4.075 -0.224 182 HD2 HIS 25 2HD HIS 25 17.009 6.637 1.605 183 HE1 HIS 25 1HE HIS 25 14.715 5.947 -1.873 184 H TYR 26 H TYR 26 19.307 3.207 3.585 185 HA TYR 26 HA TYR 26 18.935 5.295 5.698 186 HB2 TYR 26 2HB TYR 26 20.650 2.835 5.369 187 HB3 TYR 26 1HB TYR 26 21.052 4.053 6.577 188 HD1 TYR 26 2HD TYR 26 19.424 4.602 8.399 189 HD2 TYR 26 1HD TYR 26 18.774 1.363 5.652 190 HE1 TYR 26 2HE TYR 26 17.715 3.649 9.925 191 HE2 TYR 26 1HE TYR 26 17.068 0.412 7.176 192 HH TYR 26 HH TYR 26 16.786 0.945 10.183 193 H LYS 27 H LYS 27 19.325 6.859 3.758 194 HA LYS 27 HA LYS 27 22.103 7.788 3.882 195 HB2 LYS 27 2HB LYS 27 22.501 7.589 1.456 196 HB3 LYS 27 1HB LYS 27 22.221 6.011 2.183 197 HG2 LYS 27 2HG LYS 27 20.721 5.735 0.501 198 HG3 LYS 27 1HG LYS 27 19.669 6.745 1.490 199 HD2 LYS 27 2HD LYS 27 21.029 8.696 0.251 200 HD3 LYS 27 1HD LYS 27 21.194 7.441 -0.978 201 HE2 LYS 27 2HE LYS 27 19.149 8.224 -1.673 202 HE3 LYS 27 1HE LYS 27 18.535 7.197 -0.363 203 HZ1 LYS 27 3HZ LYS 27 17.726 9.472 -0.133 204 HZ2 LYS 27 1HZ LYS 27 19.316 10.055 -0.086 205 HZ3 LYS 27 2HZ LYS 27 18.743 9.061 1.168 Start of MODEL 22 1 H1 MET 1 1HT MET 1 -12.631 -9.721 -13.084 2 H2 MET 1 2HT MET 1 -11.937 -10.035 -11.563 3 H3 MET 1 3HT MET 1 -11.911 -11.224 -12.775 4 HA MET 1 HA MET 1 -10.404 -9.917 -14.116 5 HB2 MET 1 2HB MET 1 -11.560 -7.881 -12.466 6 HB3 MET 1 1HB MET 1 -9.814 -7.828 -12.245 7 HG2 MET 1 2HG MET 1 -10.254 -6.414 -14.105 8 HG3 MET 1 1HG MET 1 -9.631 -7.910 -14.797 9 HE1 MET 1 2HE MET 1 -12.995 -5.803 -16.349 10 HE2 MET 1 3HE MET 1 -11.333 -5.449 -15.888 11 HE3 MET 1 1HE MET 1 -12.625 -5.412 -14.674 12 H ASP 2 H ASP 2 -8.018 -9.393 -13.395 13 HA ASP 2 HA ASP 2 -7.283 -11.315 -11.221 14 HB2 ASP 2 2HB ASP 2 -6.472 -11.777 -13.500 15 HB3 ASP 2 1HB ASP 2 -5.727 -10.179 -13.569 16 H ARG 3 H ARG 3 -5.790 -10.672 -9.622 17 HA ARG 3 HA ARG 3 -4.760 -9.248 -8.087 18 HB2 ARG 3 2HB ARG 3 -4.226 -8.015 -10.776 19 HB3 ARG 3 1HB ARG 3 -3.682 -7.185 -9.319 20 HG2 ARG 3 2HG ARG 3 -2.286 -8.982 -8.671 21 HG3 ARG 3 1HG ARG 3 -3.088 -10.108 -9.764 22 HD2 ARG 3 2HD ARG 3 -1.028 -9.574 -10.846 23 HD3 ARG 3 1HD ARG 3 -2.239 -8.577 -11.675 24 HE ARG 3 HE ARG 3 -1.432 -6.640 -10.479 25 HH11 ARG 3 1HH2 ARG 3 -0.787 -7.810 -7.845 26 HH12 ARG 3 2HH2 ARG 3 0.944 -7.810 -7.826 27 HH21 ARG 3 1HH1 ARG 3 1.221 -7.400 -11.278 28 HH22 ARG 3 2HH1 ARG 3 2.095 -7.575 -9.795 29 H GLU 4 H GLU 4 -5.618 -6.374 -9.936 30 HA GLU 4 HA GLU 4 -7.003 -4.559 -9.432 31 HB2 GLU 4 2HB GLU 4 -8.505 -6.785 -9.723 32 HB3 GLU 4 1HB GLU 4 -8.970 -6.324 -8.087 33 HG2 GLU 4 2HG GLU 4 -10.198 -4.587 -8.832 34 HG3 GLU 4 1HG GLU 4 -8.882 -4.008 -9.854 35 H MET 5 H MET 5 -5.171 -5.766 -7.153 36 HA MET 5 HA MET 5 -5.828 -3.804 -5.134 37 HB2 MET 5 2HB MET 5 -7.623 -5.462 -4.727 38 HB3 MET 5 1HB MET 5 -6.416 -6.732 -4.554 39 HG2 MET 5 2HG MET 5 -6.362 -6.241 -2.353 40 HG3 MET 5 1HG MET 5 -5.570 -4.729 -2.788 41 HE1 MET 5 3HE MET 5 -6.526 -2.524 -2.884 42 HE2 MET 5 1HE MET 5 -8.245 -2.097 -2.877 43 HE3 MET 5 2HE MET 5 -7.554 -2.969 -4.240 44 H ALA 6 H ALA 6 -4.441 -7.116 -5.233 45 HA ALA 6 HA ALA 6 -2.325 -7.948 -4.685 46 HB1 ALA 6 1HB ALA 6 -1.300 -5.189 -5.346 47 HB2 ALA 6 2HB ALA 6 -1.965 -6.238 -6.598 48 HB3 ALA 6 3HB ALA 6 -0.550 -6.751 -5.676 49 H ALA 7 H ALA 7 -3.915 -6.708 -2.532 50 HA ALA 7 HA ALA 7 -1.749 -6.343 -0.558 51 HB1 ALA 7 1HB ALA 7 -2.058 -4.083 -1.280 52 HB2 ALA 7 2HB ALA 7 -2.960 -4.216 0.228 53 HB3 ALA 7 3HB ALA 7 -3.811 -4.257 -1.316 54 H SER 8 H SER 8 -5.221 -5.515 -0.440 55 HA SER 8 HA SER 8 -6.991 -6.320 0.830 56 HB2 SER 8 2HB SER 8 -5.417 -8.849 0.309 57 HB3 SER 8 1HB SER 8 -7.033 -8.835 1.000 58 HG SER 8 HG SER 8 -6.323 -8.668 -1.558 59 H ALA 9 H ALA 9 -4.532 -8.532 2.189 60 HA ALA 9 HA ALA 9 -5.310 -8.485 4.855 61 HB1 ALA 9 1HB ALA 9 -2.621 -8.767 3.519 62 HB2 ALA 9 2HB ALA 9 -3.700 -10.043 4.084 63 HB3 ALA 9 3HB ALA 9 -2.840 -9.035 5.248 64 H GLY 10 H GLY 10 -3.065 -6.142 3.311 65 HA2 GLY 10 2HA GLY 10 -2.772 -4.693 5.875 66 HA3 GLY 10 1HA GLY 10 -1.941 -4.309 4.370 67 H GLY 11 H GLY 11 -5.465 -4.750 4.652 68 HA2 GLY 11 2HA GLY 11 -7.202 -3.288 4.115 69 HA3 GLY 11 1HA GLY 11 -6.271 -2.091 5.014 70 H ALA 12 H ALA 12 -5.003 -3.635 2.102 71 HA ALA 12 HA ALA 12 -4.285 -2.727 0.063 72 HB1 ALA 12 1HB ALA 12 -6.862 -2.647 0.028 73 HB2 ALA 12 2HB ALA 12 -6.018 -1.620 -1.131 74 HB3 ALA 12 3HB ALA 12 -6.693 -0.920 0.340 75 H VAL 13 H VAL 13 -3.445 -1.410 2.632 76 HA VAL 13 HA VAL 13 -2.394 1.138 1.488 77 HB VAL 13 HB VAL 13 -3.889 0.701 4.103 78 HG11 VAL 13 1HG1 VAL 13 -2.099 2.104 4.756 79 HG12 VAL 13 2HG1 VAL 13 -3.399 3.233 4.379 80 HG13 VAL 13 3HG1 VAL 13 -2.097 2.968 3.219 81 HG21 VAL 13 3HG2 VAL 13 -5.374 1.173 2.253 82 HG22 VAL 13 1HG2 VAL 13 -4.344 2.490 1.694 83 HG23 VAL 13 2HG2 VAL 13 -5.238 2.649 3.207 84 H PHE 14 H PHE 14 -2.428 -0.781 4.510 85 HA PHE 14 HA PHE 14 0.227 -0.338 5.368 86 HB2 PHE 14 2HB PHE 14 -1.629 -1.358 6.671 87 HB3 PHE 14 1HB PHE 14 -1.527 -2.799 5.664 88 HD1 PHE 14 1HD PHE 14 0.867 -0.583 7.553 89 HD2 PHE 14 2HD PHE 14 -0.361 -4.586 6.583 90 HE1 PHE 14 1HE PHE 14 2.668 -1.487 8.996 91 HE2 PHE 14 2HE PHE 14 1.438 -5.487 8.029 92 HZ PHE 14 HZ PHE 14 2.954 -3.938 9.236 93 H VAL 15 H VAL 15 -1.032 -2.653 2.972 94 HA VAL 15 HA VAL 15 1.216 -4.368 2.701 95 HB VAL 15 HB VAL 15 -0.990 -3.383 0.867 96 HG11 VAL 15 1HG1 VAL 15 -0.204 -5.392 -0.601 97 HG12 VAL 15 2HG1 VAL 15 1.355 -5.165 0.187 98 HG13 VAL 15 3HG1 VAL 15 0.650 -3.859 -0.765 99 HG21 VAL 15 3HG2 VAL 15 -2.082 -5.190 1.673 100 HG22 VAL 15 1HG2 VAL 15 -0.815 -5.292 2.895 101 HG23 VAL 15 2HG2 VAL 15 -0.692 -6.242 1.415 102 H GLY 16 H GLY 16 0.540 -1.208 1.143 103 HA2 GLY 16 2HA GLY 16 2.919 -1.120 -0.463 104 HA3 GLY 16 1HA GLY 16 1.959 0.284 0.013 105 H LEU 17 H LEU 17 2.159 -0.000 2.838 106 HA LEU 17 HA LEU 17 4.653 1.317 3.398 107 HB2 LEU 17 2HB LEU 17 2.415 0.087 4.990 108 HB3 LEU 17 1HB LEU 17 3.876 0.605 5.825 109 HG LEU 17 HG LEU 17 3.311 2.747 4.140 110 HD11 LEU 17 1HD1 LEU 17 0.751 1.608 5.297 111 HD12 LEU 17 2HD1 LEU 17 1.111 1.895 3.594 112 HD13 LEU 17 3HD1 LEU 17 0.918 3.257 4.695 113 HD21 LEU 17 3HD2 LEU 17 2.719 3.900 6.230 114 HD22 LEU 17 1HD2 LEU 17 4.084 2.820 6.500 115 HD23 LEU 17 2HD2 LEU 17 2.469 2.350 7.032 116 H VAL 18 H VAL 18 3.579 -2.071 3.838 117 HA VAL 18 HA VAL 18 5.893 -3.072 5.195 118 HB VAL 18 HB VAL 18 3.909 -4.355 3.279 119 HG11 VAL 18 1HG1 VAL 18 5.764 -5.738 5.243 120 HG12 VAL 18 2HG1 VAL 18 6.024 -5.689 3.499 121 HG13 VAL 18 3HG1 VAL 18 4.611 -6.512 4.156 122 HG21 VAL 18 3HG2 VAL 18 3.429 -3.290 5.741 123 HG22 VAL 18 1HG2 VAL 18 3.891 -4.932 6.190 124 HG23 VAL 18 2HG2 VAL 18 2.543 -4.664 5.085 125 H LEU 19 H LEU 19 5.159 -2.699 1.718 126 HA LEU 19 HA LEU 19 7.521 -3.948 0.668 127 HB2 LEU 19 2HB LEU 19 5.326 -2.190 -0.240 128 HB3 LEU 19 1HB LEU 19 6.822 -1.979 -1.140 129 HG LEU 19 HG LEU 19 5.432 -3.664 -2.225 130 HD11 LEU 19 1HD1 LEU 19 8.049 -3.928 -1.819 131 HD12 LEU 19 2HD1 LEU 19 7.115 -5.183 -2.630 132 HD13 LEU 19 3HD1 LEU 19 7.523 -5.354 -0.924 133 HD21 LEU 19 3HD2 LEU 19 4.894 -5.785 -1.050 134 HD22 LEU 19 1HD2 LEU 19 4.136 -4.396 -0.275 135 HD23 LEU 19 2HD2 LEU 19 5.577 -5.123 0.434 136 H LEU 20 H LEU 20 6.803 -0.589 1.634 137 HA LEU 20 HA LEU 20 9.265 0.628 0.805 138 HB2 LEU 20 2HB LEU 20 7.056 1.696 1.486 139 HB3 LEU 20 1HB LEU 20 7.504 1.374 3.159 140 HG LEU 20 HG LEU 20 9.629 2.693 1.604 141 HD11 LEU 20 1HD1 LEU 20 8.561 4.880 1.526 142 HD12 LEU 20 2HD1 LEU 20 7.084 4.223 2.229 143 HD13 LEU 20 3HD1 LEU 20 7.583 3.735 0.608 144 HD21 LEU 20 3HD2 LEU 20 9.791 4.025 3.639 145 HD22 LEU 20 1HD2 LEU 20 9.594 2.331 4.089 146 HD23 LEU 20 2HD2 LEU 20 8.222 3.436 4.192 147 H THR 21 H THR 21 8.316 -1.034 3.814 148 HA THR 21 HA THR 21 10.679 -0.388 5.342 149 HB THR 21 HB THR 21 8.766 -2.743 5.529 150 HG1 THR 21 1HG THR 21 7.408 -1.352 6.306 151 HG21 THR 21 3HG2 THR 21 10.940 -1.689 7.277 152 HG22 THR 21 1HG2 THR 21 10.399 -3.349 7.028 153 HG23 THR 21 2HG2 THR 21 9.470 -2.265 8.062 154 H LEU 22 H LEU 22 9.895 -2.967 3.026 155 HA LEU 22 HA LEU 22 12.288 -4.543 3.617 156 HB2 LEU 22 2HB LEU 22 9.874 -5.079 2.527 157 HB3 LEU 22 1HB LEU 22 10.801 -4.834 1.048 158 HG LEU 22 HG LEU 22 11.830 -6.623 3.251 159 HD11 LEU 22 1HD1 LEU 22 10.042 -7.415 0.930 160 HD12 LEU 22 2HD1 LEU 22 9.576 -7.420 2.631 161 HD13 LEU 22 3HD1 LEU 22 10.822 -8.527 2.057 162 HD21 LEU 22 3HD2 LEU 22 12.879 -7.704 1.164 163 HD22 LEU 22 1HD2 LEU 22 13.490 -6.112 1.612 164 HD23 LEU 22 2HD2 LEU 22 12.340 -6.273 0.286 165 H SER 23 H SER 23 11.275 -2.862 0.588 166 HA SER 23 HA SER 23 13.866 -1.548 0.288 167 HB2 SER 23 2HB SER 23 14.324 -2.935 -1.856 168 HB3 SER 23 1HB SER 23 14.666 -3.679 -0.303 169 HG SER 23 HG SER 23 13.009 -4.497 -2.223 170 HA PRO 24 HA PRO 24 10.578 0.434 -2.193 171 HB2 PRO 24 2HB PRO 24 11.085 2.983 -1.362 172 HB3 PRO 24 1HB PRO 24 10.075 1.850 -0.447 173 HG2 PRO 24 2HG PRO 24 12.786 2.805 0.110 174 HG3 PRO 24 1HG PRO 24 11.572 2.143 1.209 175 HD2 PRO 24 2HD PRO 24 13.837 0.819 0.137 176 HD3 PRO 24 1HD PRO 24 12.550 0.122 1.143 177 H HIS 25 H HIS 25 11.661 0.053 -4.205 178 HA HIS 25 HA HIS 25 13.876 1.940 -4.935 179 HB2 HIS 25 2HB HIS 25 13.025 -0.781 -5.957 180 HB3 HIS 25 1HB HIS 25 14.256 0.202 -6.749 181 HD1 HIS 25 1HD HIS 25 16.361 0.888 -5.163 182 HD2 HIS 25 2HD HIS 25 13.970 -2.243 -3.799 183 HE1 HIS 25 1HE HIS 25 17.705 -0.316 -3.387 184 H TYR 26 H TYR 26 10.717 0.679 -6.027 185 HA TYR 26 HA TYR 26 10.665 2.096 -8.543 186 HB2 TYR 26 2HB TYR 26 9.197 0.131 -7.323 187 HB3 TYR 26 1HB TYR 26 8.105 1.508 -7.181 188 HD1 TYR 26 2HD TYR 26 7.426 2.784 -9.237 189 HD2 TYR 26 1HD TYR 26 9.631 -0.899 -9.436 190 HE1 TYR 26 2HE TYR 26 6.815 2.548 -11.626 191 HE2 TYR 26 1HE TYR 26 9.018 -1.135 -11.827 192 HH TYR 26 HH TYR 26 7.984 1.252 -13.703 193 H LYS 27 H LYS 27 9.650 4.080 -9.057 194 HA LYS 27 HA LYS 27 8.914 5.836 -6.735 195 HB2 LYS 27 2HB LYS 27 10.652 6.218 -9.149 196 HB3 LYS 27 1HB LYS 27 9.804 7.616 -8.492 197 HG2 LYS 27 2HG LYS 27 11.412 5.793 -6.704 198 HG3 LYS 27 1HG LYS 27 12.179 7.114 -7.586 199 HD2 LYS 27 2HD LYS 27 10.004 8.386 -6.509 200 HD3 LYS 27 1HD LYS 27 10.379 7.211 -5.249 201 HE2 LYS 27 2HE LYS 27 12.589 8.059 -4.957 202 HE3 LYS 27 1HE LYS 27 12.516 8.981 -6.472 203 HZ1 LYS 27 3HZ LYS 27 10.671 9.430 -4.184 204 HZ2 LYS 27 1HZ LYS 27 10.819 10.376 -5.584 205 HZ3 LYS 27 2HZ LYS 27 12.082 10.340 -4.448 Start of MODEL 23 1 H1 MET 1 1HT MET 1 -8.873 -7.525 -9.490 2 H2 MET 1 2HT MET 1 -9.289 -8.722 -10.619 3 H3 MET 1 3HT MET 1 -7.825 -7.879 -10.778 4 HA MET 1 HA MET 1 -7.740 -10.243 -9.819 5 HB2 MET 1 2HB MET 1 -5.843 -9.559 -8.461 6 HB3 MET 1 1HB MET 1 -5.934 -8.503 -9.864 7 HG2 MET 1 2HG MET 1 -6.994 -6.752 -8.521 8 HG3 MET 1 1HG MET 1 -7.031 -7.819 -7.117 9 HE1 MET 1 2HE MET 1 -3.553 -5.490 -8.897 10 HE2 MET 1 3HE MET 1 -5.270 -5.101 -8.894 11 HE3 MET 1 1HE MET 1 -4.658 -6.435 -9.889 12 H ASP 2 H ASP 2 -7.279 -10.869 -7.276 13 HA ASP 2 HA ASP 2 -9.927 -10.842 -6.027 14 HB2 ASP 2 2HB ASP 2 -9.004 -12.507 -4.617 15 HB3 ASP 2 1HB ASP 2 -8.194 -12.749 -6.160 16 H ARG 3 H ARG 3 -10.234 -10.195 -3.742 17 HA ARG 3 HA ARG 3 -10.251 -8.544 -2.073 18 HB2 ARG 3 2HB ARG 3 -8.096 -9.929 -1.792 19 HB3 ARG 3 1HB ARG 3 -7.260 -8.531 -2.470 20 HG2 ARG 3 2HG ARG 3 -8.391 -7.118 -0.689 21 HG3 ARG 3 1HG ARG 3 -8.926 -8.625 0.058 22 HD2 ARG 3 2HD ARG 3 -6.010 -8.220 -0.610 23 HD3 ARG 3 1HD ARG 3 -6.688 -7.592 0.906 24 HE ARG 3 HE ARG 3 -6.861 -10.475 0.107 25 HH11 ARG 3 1HH1 ARG 3 -8.745 -9.733 2.234 26 HH12 ARG 3 2HH1 ARG 3 -7.833 -9.983 3.684 27 HH21 ARG 3 1HH2 ARG 3 -4.761 -10.020 2.030 28 HH22 ARG 3 2HH2 ARG 3 -5.548 -10.147 3.567 29 H GLU 4 H GLU 4 -10.822 -7.411 -4.554 30 HA GLU 4 HA GLU 4 -9.106 -5.040 -4.973 31 HB2 GLU 4 2HB GLU 4 -10.154 -6.403 -6.805 32 HB3 GLU 4 1HB GLU 4 -11.736 -5.864 -6.243 33 HG2 GLU 4 2HG GLU 4 -10.135 -3.533 -6.495 34 HG3 GLU 4 1HG GLU 4 -9.880 -4.486 -7.958 35 H MET 5 H MET 5 -12.376 -5.806 -3.768 36 HA MET 5 HA MET 5 -12.734 -2.962 -2.923 37 HB2 MET 5 2HB MET 5 -14.347 -4.439 -4.417 38 HB3 MET 5 1HB MET 5 -14.885 -5.049 -2.851 39 HG2 MET 5 2HG MET 5 -15.634 -2.937 -2.143 40 HG3 MET 5 1HG MET 5 -14.654 -2.085 -3.336 41 HE1 MET 5 3HE MET 5 -16.183 -1.195 -5.848 42 HE2 MET 5 1HE MET 5 -15.996 -2.784 -6.608 43 HE3 MET 5 2HE MET 5 -14.749 -2.166 -5.529 44 H ALA 6 H ALA 6 -12.268 -6.216 -1.666 45 HA ALA 6 HA ALA 6 -13.421 -5.871 0.945 46 HB1 ALA 6 1HB ALA 6 -11.165 -7.628 -0.072 47 HB2 ALA 6 2HB ALA 6 -12.877 -8.049 -0.026 48 HB3 ALA 6 3HB ALA 6 -11.980 -7.838 1.477 49 H ALA 7 H ALA 7 -10.008 -5.560 -0.161 50 HA ALA 7 HA ALA 7 -9.464 -3.892 2.278 51 HB1 ALA 7 1HB ALA 7 -7.538 -5.656 0.744 52 HB2 ALA 7 2HB ALA 7 -8.451 -6.211 2.150 53 HB3 ALA 7 3HB ALA 7 -7.277 -4.905 2.318 54 H SER 8 H SER 8 -10.229 -2.148 0.734 55 HA SER 8 HA SER 8 -8.029 -1.253 -1.110 56 HB2 SER 8 2HB SER 8 -9.881 -0.221 -2.415 57 HB3 SER 8 1HB SER 8 -10.063 -1.961 -2.256 58 HG SER 8 HG SER 8 -11.844 -1.625 -1.175 59 H ALA 9 H ALA 9 -8.555 -0.610 1.858 60 HA ALA 9 HA ALA 9 -8.491 2.364 1.558 61 HB1 ALA 9 1HB ALA 9 -10.071 0.822 3.643 62 HB2 ALA 9 2HB ALA 9 -10.775 1.524 2.187 63 HB3 ALA 9 3HB ALA 9 -10.058 2.570 3.413 64 H GLY 10 H GLY 10 -8.273 -0.141 4.136 65 HA2 GLY 10 2HA GLY 10 -5.861 1.262 5.189 66 HA3 GLY 10 1HA GLY 10 -6.870 0.150 6.113 67 H GLY 11 H GLY 11 -7.046 -1.990 4.298 68 HA2 GLY 11 2HA GLY 11 -4.677 -3.455 4.823 69 HA3 GLY 11 1HA GLY 11 -5.905 -3.923 3.650 70 H ALA 12 H ALA 12 -5.727 -1.895 1.763 71 HA ALA 12 HA ALA 12 -3.486 -2.649 0.163 72 HB1 ALA 12 1HB ALA 12 -5.362 -0.267 0.144 73 HB2 ALA 12 2HB ALA 12 -5.475 -1.736 -0.828 74 HB3 ALA 12 3HB ALA 12 -4.187 -0.570 -1.137 75 H VAL 13 H VAL 13 -4.010 0.283 2.156 76 HA VAL 13 HA VAL 13 -1.515 1.577 1.596 77 HB VAL 13 HB VAL 13 -3.363 1.640 4.013 78 HG11 VAL 13 1HG1 VAL 13 -1.173 2.529 4.648 79 HG12 VAL 13 2HG1 VAL 13 -2.320 3.858 4.474 80 HG13 VAL 13 3HG1 VAL 13 -1.138 3.542 3.203 81 HG21 VAL 13 3HG2 VAL 13 -4.259 3.663 2.962 82 HG22 VAL 13 1HG2 VAL 13 -4.365 2.318 1.826 83 HG23 VAL 13 2HG2 VAL 13 -3.092 3.526 1.648 84 H PHE 14 H PHE 14 -2.446 -0.817 4.074 85 HA PHE 14 HA PHE 14 0.004 -0.831 5.568 86 HB2 PHE 14 2HB PHE 14 -2.343 -1.817 6.063 87 HB3 PHE 14 1HB PHE 14 -1.810 -3.205 5.118 88 HD1 PHE 14 2HD PHE 14 0.028 -4.639 5.899 89 HD2 PHE 14 1HD PHE 14 -1.343 -1.299 8.226 90 HE1 PHE 14 2HE PHE 14 1.246 -5.515 7.872 91 HE2 PHE 14 1HE PHE 14 -0.125 -2.175 10.201 92 HZ PHE 14 HZ PHE 14 1.170 -4.283 10.023 93 H VAL 15 H VAL 15 -1.090 -2.806 2.779 94 HA VAL 15 HA VAL 15 1.179 -4.542 2.598 95 HB VAL 15 HB VAL 15 -0.742 -3.459 0.502 96 HG11 VAL 15 1HG1 VAL 15 1.178 -5.806 0.381 97 HG12 VAL 15 2HG1 VAL 15 1.222 -4.359 -0.625 98 HG13 VAL 15 3HG1 VAL 15 -0.105 -5.508 -0.791 99 HG21 VAL 15 3HG2 VAL 15 -0.935 -6.260 1.417 100 HG22 VAL 15 1HG2 VAL 15 -2.210 -5.064 1.178 101 HG23 VAL 15 2HG2 VAL 15 -1.274 -5.069 2.672 102 H GLY 16 H GLY 16 0.537 -1.343 1.124 103 HA2 GLY 16 2HA GLY 16 2.948 -1.173 -0.412 104 HA3 GLY 16 1HA GLY 16 1.975 0.206 0.107 105 H LEU 17 H LEU 17 2.151 -0.216 2.927 106 HA LEU 17 HA LEU 17 4.619 1.109 3.568 107 HB2 LEU 17 2HB LEU 17 2.191 0.202 4.871 108 HB3 LEU 17 1HB LEU 17 3.590 -0.144 5.884 109 HG LEU 17 HG LEU 17 4.102 2.423 4.930 110 HD11 LEU 17 1HD1 LEU 17 1.160 2.086 5.583 111 HD12 LEU 17 2HD1 LEU 17 1.854 2.695 4.079 112 HD13 LEU 17 3HD1 LEU 17 1.992 3.642 5.561 113 HD21 LEU 17 3HD2 LEU 17 2.812 1.502 7.521 114 HD22 LEU 17 1HD2 LEU 17 3.558 3.082 7.277 115 HD23 LEU 17 2HD2 LEU 17 4.542 1.621 7.199 116 H VAL 18 H VAL 18 3.591 -2.311 3.922 117 HA VAL 18 HA VAL 18 5.924 -3.291 5.258 118 HB VAL 18 HB VAL 18 3.923 -4.552 3.349 119 HG11 VAL 18 1HG1 VAL 18 5.662 -6.099 3.184 120 HG12 VAL 18 2HG1 VAL 18 4.796 -6.703 4.597 121 HG13 VAL 18 3HG1 VAL 18 6.265 -5.749 4.804 122 HG21 VAL 18 3HG2 VAL 18 3.119 -3.693 5.575 123 HG22 VAL 18 1HG2 VAL 18 4.247 -4.800 6.357 124 HG23 VAL 18 2HG2 VAL 18 2.922 -5.434 5.383 125 H LEU 19 H LEU 19 5.187 -2.858 1.799 126 HA LEU 19 HA LEU 19 7.618 -4.026 0.760 127 HB2 LEU 19 2HB LEU 19 5.305 -2.422 -0.180 128 HB3 LEU 19 1HB LEU 19 6.773 -2.218 -1.125 129 HG LEU 19 HG LEU 19 5.369 -4.016 -2.042 130 HD11 LEU 19 1HD1 LEU 19 7.804 -5.252 -0.746 131 HD12 LEU 19 2HD1 LEU 19 7.908 -4.121 -2.093 132 HD13 LEU 19 3HD1 LEU 19 7.077 -5.662 -2.299 133 HD21 LEU 19 3HD2 LEU 19 4.239 -4.762 -0.020 134 HD22 LEU 19 1HD2 LEU 19 5.768 -5.283 0.688 135 HD23 LEU 19 2HD2 LEU 19 5.111 -6.127 -0.713 136 H LEU 20 H LEU 20 6.629 -0.660 1.473 137 HA LEU 20 HA LEU 20 8.995 0.681 0.625 138 HB2 LEU 20 2HB LEU 20 6.536 1.325 1.723 139 HB3 LEU 20 1HB LEU 20 7.656 1.786 3.003 140 HG LEU 20 HG LEU 20 7.810 2.680 0.106 141 HD11 LEU 20 1HD1 LEU 20 7.257 4.901 1.042 142 HD12 LEU 20 2HD1 LEU 20 7.095 4.183 2.644 143 HD13 LEU 20 3HD1 LEU 20 5.972 3.736 1.359 144 HD21 LEU 20 3HD2 LEU 20 9.565 3.167 2.523 145 HD22 LEU 20 1HD2 LEU 20 9.533 4.292 1.166 146 HD23 LEU 20 2HD2 LEU 20 10.049 2.623 0.917 147 H THR 21 H THR 21 8.161 -0.767 3.786 148 HA THR 21 HA THR 21 10.518 0.100 5.201 149 HB THR 21 HB THR 21 8.664 -2.280 5.597 150 HG1 THR 21 1HG THR 21 7.423 -0.545 5.861 151 HG21 THR 21 3HG2 THR 21 10.817 -2.480 6.847 152 HG22 THR 21 1HG2 THR 21 9.423 -2.289 7.910 153 HG23 THR 21 2HG2 THR 21 10.488 -0.918 7.600 154 H LEU 22 H LEU 22 9.785 -2.802 3.253 155 HA LEU 22 HA LEU 22 12.134 -4.320 3.833 156 HB2 LEU 22 2HB LEU 22 9.924 -4.293 1.923 157 HB3 LEU 22 1HB LEU 22 11.420 -4.835 1.170 158 HG LEU 22 HG LEU 22 10.187 -6.740 2.095 159 HD11 LEU 22 1HD1 LEU 22 12.575 -6.215 3.873 160 HD12 LEU 22 2HD1 LEU 22 12.729 -6.629 2.167 161 HD13 LEU 22 3HD1 LEU 22 11.981 -7.768 3.286 162 HD21 LEU 22 3HD2 LEU 22 8.902 -5.922 3.878 163 HD22 LEU 22 1HD2 LEU 22 10.262 -5.061 4.597 164 HD23 LEU 22 2HD2 LEU 22 10.169 -6.817 4.714 165 H SER 23 H SER 23 11.514 -1.833 1.333 166 HA SER 23 HA SER 23 14.198 -2.047 0.192 167 HB2 SER 23 2HB SER 23 13.321 0.256 -0.809 168 HB3 SER 23 1HB SER 23 12.664 -1.272 -1.364 169 HG SER 23 HG SER 23 11.561 0.305 0.746 170 HA PRO 24 HA PRO 24 16.258 0.658 3.005 171 HB2 PRO 24 2HB PRO 24 18.167 1.761 1.387 172 HB3 PRO 24 1HB PRO 24 18.224 0.080 1.955 173 HG2 PRO 24 2HG PRO 24 17.403 1.151 -0.686 174 HG3 PRO 24 1HG PRO 24 18.278 -0.335 -0.288 175 HD2 PRO 24 2HD PRO 24 15.622 -0.244 -0.933 176 HD3 PRO 24 1HD PRO 24 16.371 -1.524 0.048 177 H HIS 25 H HIS 25 14.258 2.034 3.133 178 HA HIS 25 HA HIS 25 14.111 4.467 1.472 179 HB2 HIS 25 2HB HIS 25 12.145 3.118 2.256 180 HB3 HIS 25 1HB HIS 25 12.517 3.612 3.905 181 HD1 HIS 25 1HD HIS 25 11.173 5.584 4.629 182 HD2 HIS 25 2HD HIS 25 11.948 5.689 0.532 183 HE1 HIS 25 1HE HIS 25 10.057 7.671 3.741 184 H TYR 26 H TYR 26 15.222 3.589 4.725 185 HA TYR 26 HA TYR 26 16.322 4.808 6.389 186 HB2 TYR 26 2HB TYR 26 16.845 6.574 3.972 187 HB3 TYR 26 1HB TYR 26 17.638 6.781 5.529 188 HD1 TYR 26 1HD TYR 26 18.823 4.658 6.518 189 HD2 TYR 26 2HD TYR 26 17.782 5.137 2.377 190 HE1 TYR 26 1HE TYR 26 20.490 2.931 5.898 191 HE2 TYR 26 2HE TYR 26 19.449 3.411 1.759 192 HH TYR 26 HH TYR 26 20.539 1.265 3.332 193 H LYS 27 H LYS 27 14.160 5.156 7.322 194 HA LYS 27 HA LYS 27 12.632 6.496 8.451 195 HB2 LYS 27 2HB LYS 27 14.917 7.933 8.378 196 HB3 LYS 27 1HB LYS 27 13.877 9.022 7.464 197 HG2 LYS 27 2HG LYS 27 13.079 7.857 10.143 198 HG3 LYS 27 1HG LYS 27 13.918 9.398 9.984 199 HD2 LYS 27 2HD LYS 27 11.320 8.787 8.552 200 HD3 LYS 27 1HD LYS 27 11.384 9.548 10.139 201 HE2 LYS 27 2HE LYS 27 11.784 11.560 9.190 202 HE3 LYS 27 1HE LYS 27 13.218 10.914 8.369 203 HZ1 LYS 27 3HZ LYS 27 10.413 10.569 7.433 204 HZ2 LYS 27 1HZ LYS 27 11.801 9.977 6.655 205 HZ3 LYS 27 2HZ LYS 27 11.541 11.654 6.775 Start of MODEL 24 1 H1 MET 1 1HT MET 1 -14.498 -4.006 -9.128 2 H2 MET 1 2HT MET 1 -16.194 -3.934 -9.202 3 H3 MET 1 3HT MET 1 -15.415 -5.405 -8.863 4 HA MET 1 HA MET 1 -14.491 -4.338 -6.793 5 HB2 MET 1 2HB MET 1 -15.202 -2.064 -8.009 6 HB3 MET 1 1HB MET 1 -16.703 -2.341 -7.128 7 HG2 MET 1 2HG MET 1 -14.927 -2.810 -5.141 8 HG3 MET 1 1HG MET 1 -14.001 -1.654 -6.100 9 HE1 MET 1 2HE MET 1 -16.783 -1.965 -3.355 10 HE2 MET 1 3HE MET 1 -17.423 -2.561 -4.883 11 HE3 MET 1 1HE MET 1 -18.095 -1.098 -4.144 12 H ASP 2 H ASP 2 -15.328 -6.117 -5.730 13 HA ASP 2 HA ASP 2 -18.295 -6.206 -5.282 14 HB2 ASP 2 2HB ASP 2 -16.375 -8.396 -6.097 15 HB3 ASP 2 1HB ASP 2 -18.002 -8.722 -5.503 16 H ARG 3 H ARG 3 -15.959 -5.294 -3.558 17 HA ARG 3 HA ARG 3 -15.206 -5.463 -1.354 18 HB2 ARG 3 2HB ARG 3 -18.020 -5.910 -1.536 19 HB3 ARG 3 1HB ARG 3 -17.397 -6.931 -0.245 20 HG2 ARG 3 2HG ARG 3 -17.739 -4.966 0.925 21 HG3 ARG 3 1HG ARG 3 -16.067 -4.736 0.417 22 HD2 ARG 3 2HD ARG 3 -17.896 -3.824 -1.658 23 HD3 ARG 3 1HD ARG 3 -18.218 -3.003 -0.119 24 HE ARG 3 HE ARG 3 -15.648 -2.925 -1.602 25 HH11 ARG 3 1HH1 ARG 3 -17.347 -0.575 -0.540 26 HH12 ARG 3 2HH1 ARG 3 -16.367 -0.041 0.782 27 HH21 ARG 3 1HH2 ARG 3 -14.436 -2.945 0.854 28 HH22 ARG 3 2HH2 ARG 3 -14.703 -1.396 1.578 29 H GLU 4 H GLU 4 -13.824 -7.326 -2.700 30 HA GLU 4 HA GLU 4 -13.814 -9.650 -0.830 31 HB2 GLU 4 2HB GLU 4 -13.357 -11.116 -2.862 32 HB3 GLU 4 1HB GLU 4 -14.995 -10.497 -2.706 33 HG2 GLU 4 2HG GLU 4 -14.489 -8.728 -4.351 34 HG3 GLU 4 1HG GLU 4 -12.833 -9.321 -4.486 35 H MET 5 H MET 5 -11.948 -7.968 -3.408 36 HA MET 5 HA MET 5 -9.437 -8.990 -2.171 37 HB2 MET 5 2HB MET 5 -8.423 -8.429 -4.278 38 HB3 MET 5 1HB MET 5 -9.936 -9.265 -4.613 39 HG2 MET 5 2HG MET 5 -10.491 -6.456 -4.425 40 HG3 MET 5 1HG MET 5 -9.115 -6.677 -5.501 41 HE1 MET 5 3HE MET 5 -9.024 -7.902 -7.572 42 HE2 MET 5 1HE MET 5 -10.302 -8.883 -8.313 43 HE3 MET 5 2HE MET 5 -9.486 -9.444 -6.858 44 H ALA 6 H ALA 6 -11.338 -6.108 -2.152 45 HA ALA 6 HA ALA 6 -9.266 -4.115 -2.040 46 HB1 ALA 6 1HB ALA 6 -11.994 -4.069 -0.737 47 HB2 ALA 6 2HB ALA 6 -11.738 -3.814 -2.464 48 HB3 ALA 6 3HB ALA 6 -11.049 -2.688 -1.294 49 H ALA 7 H ALA 7 -10.595 -6.281 0.439 50 HA ALA 7 HA ALA 7 -9.736 -4.856 2.767 51 HB1 ALA 7 1HB ALA 7 -9.884 -7.159 3.802 52 HB2 ALA 7 2HB ALA 7 -10.163 -7.800 2.183 53 HB3 ALA 7 3HB ALA 7 -11.318 -6.673 2.898 54 H SER 8 H SER 8 -8.119 -7.735 1.299 55 HA SER 8 HA SER 8 -5.859 -8.397 1.321 56 HB2 SER 8 2HB SER 8 -5.809 -5.388 1.077 57 HB3 SER 8 1HB SER 8 -4.311 -6.307 1.097 58 HG SER 8 HG SER 8 -6.368 -6.216 -0.793 59 H ALA 9 H ALA 9 -3.587 -7.324 2.589 60 HA ALA 9 HA ALA 9 -4.246 -7.821 5.435 61 HB1 ALA 9 1HB ALA 9 -2.392 -8.999 4.253 62 HB2 ALA 9 2HB ALA 9 -1.805 -8.067 5.631 63 HB3 ALA 9 3HB ALA 9 -1.598 -7.445 3.992 64 H GLY 10 H GLY 10 -5.280 -5.778 5.956 65 HA2 GLY 10 2HA GLY 10 -4.739 -3.772 7.271 66 HA3 GLY 10 1HA GLY 10 -3.358 -3.511 6.225 67 H GLY 11 H GLY 11 -5.533 -4.265 3.955 68 HA2 GLY 11 2HA GLY 11 -7.362 -3.009 2.970 69 HA3 GLY 11 1HA GLY 11 -6.908 -1.631 3.967 70 H ALA 12 H ALA 12 -4.613 -3.541 2.076 71 HA ALA 12 HA ALA 12 -3.338 -3.076 0.178 72 HB1 ALA 12 1HB ALA 12 -4.303 -1.801 -1.485 73 HB2 ALA 12 2HB ALA 12 -4.838 -0.548 -0.366 74 HB3 ALA 12 3HB ALA 12 -5.724 -2.069 -0.475 75 H VAL 13 H VAL 13 -4.177 -0.151 2.045 76 HA VAL 13 HA VAL 13 -1.869 1.431 1.569 77 HB VAL 13 HB VAL 13 -3.554 1.120 4.084 78 HG11 VAL 13 1HG1 VAL 13 -2.902 3.450 4.549 79 HG12 VAL 13 2HG1 VAL 13 -1.890 3.464 3.105 80 HG13 VAL 13 3HG1 VAL 13 -1.480 2.410 4.459 81 HG21 VAL 13 3HG2 VAL 13 -3.950 2.621 1.502 82 HG22 VAL 13 1HG2 VAL 13 -4.633 3.256 3.000 83 HG23 VAL 13 2HG2 VAL 13 -5.112 1.663 2.418 84 H PHE 14 H PHE 14 -2.528 -0.914 4.164 85 HA PHE 14 HA PHE 14 -0.052 -0.781 5.560 86 HB2 PHE 14 2HB PHE 14 -2.254 -1.794 6.244 87 HB3 PHE 14 1HB PHE 14 -1.912 -3.135 5.158 88 HD1 PHE 14 2HD PHE 14 -0.061 -4.707 5.628 89 HD2 PHE 14 1HD PHE 14 -1.043 -1.523 8.338 90 HE1 PHE 14 2HE PHE 14 1.290 -5.798 7.396 91 HE2 PHE 14 1HE PHE 14 0.308 -2.615 10.107 92 HZ PHE 14 HZ PHE 14 1.475 -4.753 9.638 93 H VAL 15 H VAL 15 -1.050 -2.818 2.789 94 HA VAL 15 HA VAL 15 1.267 -4.500 2.675 95 HB VAL 15 HB VAL 15 -0.674 -3.532 0.544 96 HG11 VAL 15 1HG1 VAL 15 0.041 -5.650 -0.646 97 HG12 VAL 15 2HG1 VAL 15 1.379 -5.762 0.495 98 HG13 VAL 15 3HG1 VAL 15 1.270 -4.385 -0.602 99 HG21 VAL 15 3HG2 VAL 15 -0.574 -5.956 2.360 100 HG22 VAL 15 1HG2 VAL 15 -1.598 -5.885 0.926 101 HG23 VAL 15 2HG2 VAL 15 -1.850 -4.744 2.247 102 H GLY 16 H GLY 16 0.526 -1.386 1.059 103 HA2 GLY 16 2HA GLY 16 2.963 -1.182 -0.429 104 HA3 GLY 16 1HA GLY 16 1.924 0.175 0.006 105 H LEU 17 H LEU 17 2.081 -0.134 2.856 106 HA LEU 17 HA LEU 17 4.466 1.348 3.460 107 HB2 LEU 17 2HB LEU 17 2.194 1.247 4.659 108 HB3 LEU 17 1HB LEU 17 2.776 -0.240 5.405 109 HG LEU 17 HG LEU 17 4.722 1.957 5.546 110 HD11 LEU 17 1HD1 LEU 17 2.544 3.208 5.734 111 HD12 LEU 17 2HD1 LEU 17 3.547 3.295 7.181 112 HD13 LEU 17 3HD1 LEU 17 2.154 2.215 7.140 113 HD21 LEU 17 3HD2 LEU 17 3.432 0.420 7.808 114 HD22 LEU 17 1HD2 LEU 17 5.060 1.096 7.730 115 HD23 LEU 17 2HD2 LEU 17 4.647 -0.323 6.767 116 H VAL 18 H VAL 18 3.599 -2.094 3.991 117 HA VAL 18 HA VAL 18 6.018 -2.875 5.330 118 HB VAL 18 HB VAL 18 3.983 -4.352 3.624 119 HG11 VAL 18 1HG1 VAL 18 5.753 -5.860 3.492 120 HG12 VAL 18 2HG1 VAL 18 5.010 -6.360 5.012 121 HG13 VAL 18 3HG1 VAL 18 6.449 -5.339 5.027 122 HG21 VAL 18 3HG2 VAL 18 3.062 -5.053 5.733 123 HG22 VAL 18 1HG2 VAL 18 3.315 -3.312 5.849 124 HG23 VAL 18 2HG2 VAL 18 4.450 -4.420 6.618 125 H LEU 19 H LEU 19 5.131 -2.677 1.889 126 HA LEU 19 HA LEU 19 7.462 -3.899 0.747 127 HB2 LEU 19 2HB LEU 19 5.304 -1.997 -0.090 128 HB3 LEU 19 1HB LEU 19 6.710 -2.147 -1.138 129 HG LEU 19 HG LEU 19 5.276 -4.601 -0.131 130 HD11 LEU 19 1HD1 LEU 19 3.641 -3.039 -1.254 131 HD12 LEU 19 2HD1 LEU 19 3.849 -4.582 -2.082 132 HD13 LEU 19 3HD1 LEU 19 4.638 -3.133 -2.706 133 HD21 LEU 19 3HD2 LEU 19 6.890 -3.997 -2.634 134 HD22 LEU 19 1HD2 LEU 19 6.247 -5.574 -2.175 135 HD23 LEU 19 2HD2 LEU 19 7.508 -4.821 -1.202 136 H LEU 20 H LEU 20 6.717 -0.549 1.683 137 HA LEU 20 HA LEU 20 9.086 0.733 0.715 138 HB2 LEU 20 2HB LEU 20 6.812 1.630 1.609 139 HB3 LEU 20 1HB LEU 20 7.570 1.532 3.197 140 HG LEU 20 HG LEU 20 9.542 2.809 1.898 141 HD11 LEU 20 1HD1 LEU 20 6.997 3.420 0.387 142 HD12 LEU 20 2HD1 LEU 20 8.569 2.953 -0.265 143 HD13 LEU 20 3HD1 LEU 20 8.347 4.555 0.439 144 HD21 LEU 20 3HD2 LEU 20 8.423 3.619 3.926 145 HD22 LEU 20 1HD2 LEU 20 7.009 4.088 2.983 146 HD23 LEU 20 2HD2 LEU 20 8.541 4.929 2.752 147 H THR 21 H THR 21 8.512 -1.199 3.620 148 HA THR 21 HA THR 21 11.147 -0.392 4.768 149 HB THR 21 HB THR 21 8.985 -2.130 5.982 150 HG1 THR 21 1HG THR 21 7.845 -0.369 5.924 151 HG21 THR 21 3HG2 THR 21 10.077 -0.797 8.031 152 HG22 THR 21 1HG2 THR 21 11.460 -0.776 6.937 153 HG23 THR 21 2HG2 THR 21 10.753 -2.313 7.434 154 H LEU 22 H LEU 22 9.776 -2.973 2.898 155 HA LEU 22 HA LEU 22 11.993 -4.796 3.772 156 HB2 LEU 22 2HB LEU 22 9.207 -5.153 3.754 157 HB3 LEU 22 1HB LEU 22 9.800 -6.093 2.385 158 HG LEU 22 HG LEU 22 11.614 -6.934 4.076 159 HD11 LEU 22 1HD1 LEU 22 10.790 -7.013 6.401 160 HD12 LEU 22 2HD1 LEU 22 9.395 -6.038 5.943 161 HD13 LEU 22 3HD1 LEU 22 11.016 -5.346 5.871 162 HD21 LEU 22 3HD2 LEU 22 9.980 -8.702 4.874 163 HD22 LEU 22 1HD2 LEU 22 9.979 -8.437 3.131 164 HD23 LEU 22 2HD2 LEU 22 8.694 -7.753 4.128 165 H SER 23 H SER 23 10.054 -3.815 0.886 166 HA SER 23 HA SER 23 12.012 -5.130 -0.896 167 HB2 SER 23 2HB SER 23 9.508 -5.166 -1.205 168 HB3 SER 23 1HB SER 23 9.589 -3.446 -1.572 169 HG SER 23 HG SER 23 9.933 -5.420 -3.234 170 HA PRO 24 HA PRO 24 14.155 -1.158 -1.112 171 HB2 PRO 24 2HB PRO 24 16.427 -2.126 -2.275 172 HB3 PRO 24 1HB PRO 24 16.097 -2.267 -0.537 173 HG2 PRO 24 2HG PRO 24 15.903 -4.308 -2.663 174 HG3 PRO 24 1HG PRO 24 16.328 -4.485 -0.956 175 HD2 PRO 24 2HD PRO 24 13.872 -5.110 -2.066 176 HD3 PRO 24 1HD PRO 24 14.185 -4.835 -0.340 177 H HIS 25 H HIS 25 12.709 -0.300 -2.733 178 HA HIS 25 HA HIS 25 12.942 -1.129 -5.549 179 HB2 HIS 25 2HB HIS 25 11.317 0.788 -3.907 180 HB3 HIS 25 1HB HIS 25 11.391 1.034 -5.651 181 HD1 HIS 25 1HD HIS 25 9.743 -0.272 -6.971 182 HD2 HIS 25 2HD HIS 25 10.514 -2.080 -3.298 183 HE1 HIS 25 1HE HIS 25 8.204 -2.279 -6.825 184 H TYR 26 H TYR 26 13.646 1.852 -3.676 185 HA TYR 26 HA TYR 26 15.645 2.616 -5.783 186 HB2 TYR 26 2HB TYR 26 13.569 4.231 -4.277 187 HB3 TYR 26 1HB TYR 26 14.943 4.998 -5.072 188 HD1 TYR 26 1HD TYR 26 15.357 4.295 -7.579 189 HD2 TYR 26 2HD TYR 26 11.619 3.828 -5.514 190 HE1 TYR 26 1HE TYR 26 14.171 4.179 -9.751 191 HE2 TYR 26 2HE TYR 26 10.434 3.712 -7.687 192 HH TYR 26 HH TYR 26 11.498 2.949 -10.321 193 H LYS 27 H LYS 27 16.943 1.253 -4.125 194 HA LYS 27 HA LYS 27 18.013 3.067 -1.990 195 HB2 LYS 27 2HB LYS 27 16.571 0.631 -1.725 196 HB3 LYS 27 1HB LYS 27 18.244 0.280 -1.296 197 HG2 LYS 27 2HG LYS 27 17.171 0.992 0.720 198 HG3 LYS 27 1HG LYS 27 18.179 2.340 0.192 199 HD2 LYS 27 2HD LYS 27 16.382 3.656 -0.368 200 HD3 LYS 27 1HD LYS 27 15.379 2.282 -0.827 201 HE2 LYS 27 2HE LYS 27 16.095 2.400 2.052 202 HE3 LYS 27 1HE LYS 27 15.010 3.681 1.482 203 HZ1 LYS 27 3HZ LYS 27 14.634 0.748 1.136 204 HZ2 LYS 27 1HZ LYS 27 13.672 1.922 0.376 205 HZ3 LYS 27 2HZ LYS 27 13.682 1.801 2.070 Start of MODEL 25 1 H1 MET 1 1HT MET 1 -4.624 -23.401 -3.553 2 H2 MET 1 2HT MET 1 -3.793 -23.484 -5.031 3 H3 MET 1 3HT MET 1 -5.469 -23.195 -5.007 4 HA MET 1 HA MET 1 -3.294 -21.360 -4.130 5 HB2 MET 1 2HB MET 1 -3.970 -21.677 -6.572 6 HB3 MET 1 1HB MET 1 -5.545 -21.015 -6.128 7 HG2 MET 1 2HG MET 1 -4.366 -18.984 -5.233 8 HG3 MET 1 1HG MET 1 -2.859 -19.633 -5.878 9 HE1 MET 1 2HE MET 1 -5.978 -17.310 -6.955 10 HE2 MET 1 3HE MET 1 -6.403 -18.929 -6.408 11 HE3 MET 1 1HE MET 1 -6.640 -18.469 -8.103 12 H ASP 2 H ASP 2 -3.874 -19.740 -2.688 13 HA ASP 2 HA ASP 2 -6.760 -19.556 -1.869 14 HB2 ASP 2 2HB ASP 2 -4.646 -20.615 -0.440 15 HB3 ASP 2 1HB ASP 2 -4.725 -18.960 0.166 16 H ARG 3 H ARG 3 -5.253 -17.847 -3.793 17 HA ARG 3 HA ARG 3 -4.603 -15.336 -2.440 18 HB2 ARG 3 2HB ARG 3 -4.930 -16.237 -5.313 19 HB3 ARG 3 1HB ARG 3 -4.550 -14.566 -4.895 20 HG2 ARG 3 2HG ARG 3 -2.445 -15.104 -4.056 21 HG3 ARG 3 1HG ARG 3 -2.896 -16.774 -3.711 22 HD2 ARG 3 2HD ARG 3 -3.207 -16.819 -6.388 23 HD3 ARG 3 1HD ARG 3 -1.960 -15.563 -6.272 24 HE ARG 3 HE ARG 3 -1.432 -17.942 -4.626 25 HH11 ARG 3 1HH1 ARG 3 -1.597 -18.740 -7.560 26 HH12 ARG 3 2HH1 ARG 3 0.053 -18.572 -8.053 27 HH21 ARG 3 1HH2 ARG 3 0.952 -16.665 -5.279 28 HH22 ARG 3 2HH2 ARG 3 1.508 -17.388 -6.750 29 H GLU 4 H GLU 4 -6.555 -14.832 -1.290 30 HA GLU 4 HA GLU 4 -8.743 -13.735 -3.014 31 HB2 GLU 4 2HB GLU 4 -9.195 -16.057 -2.091 32 HB3 GLU 4 1HB GLU 4 -9.151 -15.349 -0.478 33 HG2 GLU 4 2HG GLU 4 -10.868 -13.636 -1.707 34 HG3 GLU 4 1HG GLU 4 -11.223 -15.124 -2.584 35 H MET 5 H MET 5 -7.964 -14.000 0.499 36 HA MET 5 HA MET 5 -8.332 -11.028 0.715 37 HB2 MET 5 2HB MET 5 -9.213 -13.392 2.304 38 HB3 MET 5 1HB MET 5 -8.787 -11.939 3.209 39 HG2 MET 5 2HG MET 5 -10.425 -11.344 0.858 40 HG3 MET 5 1HG MET 5 -11.234 -12.427 1.990 41 HE1 MET 5 3HE MET 5 -10.621 -9.217 0.849 42 HE2 MET 5 1HE MET 5 -11.143 -8.089 2.113 43 HE3 MET 5 2HE MET 5 -12.283 -9.244 1.430 44 H ALA 6 H ALA 6 -5.780 -12.692 0.226 45 HA ALA 6 HA ALA 6 -4.243 -12.161 2.722 46 HB1 ALA 6 1HB ALA 6 -4.150 -14.346 1.428 47 HB2 ALA 6 2HB ALA 6 -2.583 -13.585 1.702 48 HB3 ALA 6 3HB ALA 6 -3.362 -13.456 0.124 49 H ALA 7 H ALA 7 -4.244 -11.343 -0.761 50 HA ALA 7 HA ALA 7 -2.015 -9.483 -0.603 51 HB1 ALA 7 1HB ALA 7 -2.605 -10.637 -2.665 52 HB2 ALA 7 2HB ALA 7 -2.836 -8.906 -2.908 53 HB3 ALA 7 3HB ALA 7 -4.229 -9.949 -2.627 54 H SER 8 H SER 8 -5.565 -9.182 -0.444 55 HA SER 8 HA SER 8 -5.365 -6.223 -0.148 56 HB2 SER 8 2HB SER 8 -7.671 -8.163 -0.515 57 HB3 SER 8 1HB SER 8 -7.859 -6.418 -0.386 58 HG SER 8 HG SER 8 -7.662 -6.744 -2.527 59 H ALA 9 H ALA 9 -4.275 -7.589 2.049 60 HA ALA 9 HA ALA 9 -6.393 -7.645 4.149 61 HB1 ALA 9 1HB ALA 9 -3.480 -8.428 4.362 62 HB2 ALA 9 2HB ALA 9 -4.712 -9.519 3.728 63 HB3 ALA 9 3HB ALA 9 -4.817 -8.942 5.391 64 H GLY 10 H GLY 10 -3.567 -5.799 3.124 65 HA2 GLY 10 2HA GLY 10 -3.461 -4.283 5.656 66 HA3 GLY 10 1HA GLY 10 -2.387 -4.079 4.276 67 H GLY 11 H GLY 11 -5.922 -4.065 3.970 68 HA2 GLY 11 2HA GLY 11 -7.351 -2.425 3.137 69 HA3 GLY 11 1HA GLY 11 -6.483 -1.344 4.220 70 H ALA 12 H ALA 12 -4.862 -2.967 1.531 71 HA ALA 12 HA ALA 12 -3.794 -2.128 -0.376 72 HB1 ALA 12 1HB ALA 12 -6.323 -1.554 -0.687 73 HB2 ALA 12 2HB ALA 12 -5.145 -0.777 -1.743 74 HB3 ALA 12 3HB ALA 12 -5.815 0.105 -0.373 75 H VAL 13 H VAL 13 -3.400 -0.800 2.482 76 HA VAL 13 HA VAL 13 -1.727 1.497 1.524 77 HB VAL 13 HB VAL 13 -3.492 1.191 3.987 78 HG11 VAL 13 1HG1 VAL 13 -1.562 2.350 4.766 79 HG12 VAL 13 2HG1 VAL 13 -2.734 3.616 4.399 80 HG13 VAL 13 3HG1 VAL 13 -1.420 3.278 3.272 81 HG21 VAL 13 3HG2 VAL 13 -3.554 3.046 1.586 82 HG22 VAL 13 1HG2 VAL 13 -4.527 3.303 3.033 83 HG23 VAL 13 2HG2 VAL 13 -4.775 1.861 2.051 84 H PHE 14 H PHE 14 -2.353 -0.590 4.360 85 HA PHE 14 HA PHE 14 0.218 -0.572 5.541 86 HB2 PHE 14 2HB PHE 14 -2.066 -1.458 6.349 87 HB3 PHE 14 1HB PHE 14 -1.690 -2.919 5.446 88 HD1 PHE 14 1HD PHE 14 -0.747 -0.825 8.333 89 HD2 PHE 14 2HD PHE 14 0.090 -4.432 6.153 90 HE1 PHE 14 1HE PHE 14 0.636 -1.646 10.220 91 HE2 PHE 14 2HE PHE 14 1.473 -5.251 8.040 92 HZ PHE 14 HZ PHE 14 1.747 -3.859 10.075 93 H VAL 15 H VAL 15 -1.098 -2.609 2.914 94 HA VAL 15 HA VAL 15 1.055 -4.482 2.690 95 HB VAL 15 HB VAL 15 -0.946 -3.331 0.702 96 HG11 VAL 15 1HG1 VAL 15 -0.387 -5.412 -0.644 97 HG12 VAL 15 2HG1 VAL 15 1.034 -5.606 0.381 98 HG13 VAL 15 3HG1 VAL 15 0.870 -4.175 -0.637 99 HG21 VAL 15 3HG2 VAL 15 -2.342 -5.019 1.360 100 HG22 VAL 15 1HG2 VAL 15 -1.383 -4.965 2.839 101 HG23 VAL 15 2HG2 VAL 15 -1.021 -6.162 1.597 102 H GLY 16 H GLY 16 0.522 -1.288 1.159 103 HA2 GLY 16 2HA GLY 16 2.926 -1.265 -0.411 104 HA3 GLY 16 1HA GLY 16 1.992 0.161 0.050 105 H LEU 17 H LEU 17 2.167 -0.234 2.907 106 HA LEU 17 HA LEU 17 4.640 1.102 3.509 107 HB2 LEU 17 2HB LEU 17 2.306 -0.037 4.948 108 HB3 LEU 17 1HB LEU 17 3.781 0.098 5.901 109 HG LEU 17 HG LEU 17 3.947 2.506 5.061 110 HD11 LEU 17 1HD1 LEU 17 1.047 1.978 4.346 111 HD12 LEU 17 2HD1 LEU 17 2.345 2.228 3.178 112 HD13 LEU 17 3HD1 LEU 17 1.873 3.534 4.264 113 HD21 LEU 17 3HD2 LEU 17 3.179 1.879 7.344 114 HD22 LEU 17 1HD2 LEU 17 1.527 1.760 6.738 115 HD23 LEU 17 2HD2 LEU 17 2.354 3.317 6.745 116 H VAL 18 H VAL 18 3.640 -2.324 3.807 117 HA VAL 18 HA VAL 18 5.979 -3.311 5.145 118 HB VAL 18 HB VAL 18 3.936 -4.517 3.245 119 HG11 VAL 18 1HG1 VAL 18 4.842 -6.726 4.340 120 HG12 VAL 18 2HG1 VAL 18 6.318 -5.790 4.570 121 HG13 VAL 18 3HG1 VAL 18 5.680 -6.045 2.946 122 HG21 VAL 18 3HG2 VAL 18 4.378 -4.836 6.231 123 HG22 VAL 18 1HG2 VAL 18 3.049 -5.519 5.296 124 HG23 VAL 18 2HG2 VAL 18 3.176 -3.773 5.500 125 H LEU 19 H LEU 19 5.186 -2.855 1.707 126 HA LEU 19 HA LEU 19 7.602 -3.949 0.574 127 HB2 LEU 19 2HB LEU 19 5.257 -3.301 -0.424 128 HB3 LEU 19 1HB LEU 19 5.980 -1.705 -0.620 129 HG LEU 19 HG LEU 19 7.954 -3.349 -1.616 130 HD11 LEU 19 1HD1 LEU 19 6.754 -5.372 -1.667 131 HD12 LEU 19 2HD1 LEU 19 6.537 -4.743 -3.299 132 HD13 LEU 19 3HD1 LEU 19 5.245 -4.577 -2.111 133 HD21 LEU 19 3HD2 LEU 19 5.663 -2.239 -3.263 134 HD22 LEU 19 1HD2 LEU 19 7.344 -2.433 -3.754 135 HD23 LEU 19 2HD2 LEU 19 6.912 -1.218 -2.552 136 H LEU 20 H LEU 20 6.636 -0.708 1.674 137 HA LEU 20 HA LEU 20 8.958 0.742 0.767 138 HB2 LEU 20 2HB LEU 20 6.481 1.235 2.012 139 HB3 LEU 20 1HB LEU 20 7.687 1.797 3.165 140 HG LEU 20 HG LEU 20 7.922 2.536 0.256 141 HD11 LEU 20 1HD1 LEU 20 5.595 3.081 1.231 142 HD12 LEU 20 2HD1 LEU 20 6.505 4.413 0.520 143 HD13 LEU 20 3HD1 LEU 20 6.440 4.228 2.271 144 HD21 LEU 20 3HD2 LEU 20 9.194 4.383 1.137 145 HD22 LEU 20 1HD2 LEU 20 9.758 2.936 1.973 146 HD23 LEU 20 2HD2 LEU 20 8.654 4.048 2.782 147 H THR 21 H THR 21 8.132 -0.848 3.864 148 HA THR 21 HA THR 21 10.455 -0.011 5.341 149 HB THR 21 HB THR 21 8.619 -2.418 5.592 150 HG1 THR 21 1HG THR 21 7.400 -0.697 5.990 151 HG21 THR 21 3HG2 THR 21 10.536 -2.963 6.883 152 HG22 THR 21 1HG2 THR 21 9.385 -2.283 8.033 153 HG23 THR 21 2HG2 THR 21 10.727 -1.302 7.444 154 H LEU 22 H LEU 22 9.988 -2.571 2.958 155 HA LEU 22 HA LEU 22 12.160 -4.295 3.631 156 HB2 LEU 22 2HB LEU 22 10.251 -4.685 2.021 157 HB3 LEU 22 1HB LEU 22 11.074 -3.626 0.878 158 HG LEU 22 HG LEU 22 12.908 -5.622 1.923 159 HD11 LEU 22 1HD1 LEU 22 11.878 -7.601 0.907 160 HD12 LEU 22 2HD1 LEU 22 10.450 -6.659 0.476 161 HD13 LEU 22 3HD1 LEU 22 10.832 -6.958 2.172 162 HD21 LEU 22 3HD2 LEU 22 13.335 -5.973 -0.447 163 HD22 LEU 22 1HD2 LEU 22 13.130 -4.242 -0.173 164 HD23 LEU 22 2HD2 LEU 22 11.817 -5.185 -0.878 165 H SER 23 H SER 23 12.096 -1.799 1.039 166 HA SER 23 HA SER 23 13.768 -0.447 0.133 167 HB2 SER 23 2HB SER 23 13.986 -0.338 2.877 168 HB3 SER 23 1HB SER 23 15.623 -0.768 2.395 169 HG SER 23 HG SER 23 15.807 1.107 1.353 170 HA PRO 24 HA PRO 24 16.234 -4.022 -1.310 171 HB2 PRO 24 2HB PRO 24 16.344 -3.217 -3.917 172 HB3 PRO 24 1HB PRO 24 14.966 -4.103 -3.231 173 HG2 PRO 24 2HG PRO 24 15.252 -1.201 -3.789 174 HG3 PRO 24 1HG PRO 24 13.843 -2.257 -3.979 175 HD2 PRO 24 2HD PRO 24 14.163 -0.538 -1.891 176 HD3 PRO 24 1HD PRO 24 13.215 -2.039 -1.802 177 H HIS 25 H HIS 25 18.459 -4.057 -1.324 178 HA HIS 25 HA HIS 25 19.962 -1.536 -1.166 179 HB2 HIS 25 2HB HIS 25 20.225 -3.846 0.093 180 HB3 HIS 25 1HB HIS 25 21.214 -4.260 -1.305 181 HD1 HIS 25 1HD HIS 25 23.036 -2.142 -1.892 182 HD2 HIS 25 2HD HIS 25 21.738 -2.642 2.042 183 HE1 HIS 25 1HE HIS 25 24.718 -0.957 -0.426 184 H TYR 26 H TYR 26 19.953 -4.365 -3.377 185 HA TYR 26 HA TYR 26 20.731 -4.631 -5.570 186 HB2 TYR 26 2HB TYR 26 19.110 -2.472 -5.463 187 HB3 TYR 26 1HB TYR 26 20.582 -1.692 -6.034 188 HD1 TYR 26 2HD TYR 26 18.028 -4.259 -6.787 189 HD2 TYR 26 1HD TYR 26 21.500 -2.177 -8.226 190 HE1 TYR 26 2HE TYR 26 17.605 -5.130 -9.070 191 HE2 TYR 26 1HE TYR 26 21.076 -3.049 -10.508 192 HH TYR 26 HH TYR 26 18.519 -4.002 -11.665 193 H LYS 27 H LYS 27 22.765 -4.483 -3.669 194 HA LYS 27 HA LYS 27 25.074 -4.199 -3.441 195 HB2 LYS 27 2HB LYS 27 24.719 -3.761 -6.423 196 HB3 LYS 27 1HB LYS 27 26.277 -4.001 -5.642 197 HG2 LYS 27 2HG LYS 27 25.917 -6.207 -6.023 198 HG3 LYS 27 1HG LYS 27 24.822 -6.114 -4.644 199 HD2 LYS 27 2HD LYS 27 22.927 -6.102 -5.964 200 HD3 LYS 27 1HD LYS 27 23.745 -5.322 -7.316 201 HE2 LYS 27 2HE LYS 27 23.579 -7.461 -8.189 202 HE3 LYS 27 1HE LYS 27 25.108 -7.652 -7.312 203 HZ1 LYS 27 3HZ LYS 27 22.397 -8.267 -6.247 204 HZ2 LYS 27 1HZ LYS 27 23.840 -8.380 -5.361 205 HZ3 LYS 27 2HZ LYS 27 23.579 -9.405 -6.691 Start of MODEL 26 1 H1 MET 1 1HT MET 1 -24.265 -10.172 -5.028 2 H2 MET 1 2HT MET 1 -22.897 -9.776 -5.955 3 H3 MET 1 3HT MET 1 -22.837 -9.680 -4.261 4 HA MET 1 HA MET 1 -23.244 -12.134 -4.171 5 HB2 MET 1 2HB MET 1 -24.209 -11.929 -6.573 6 HB3 MET 1 1HB MET 1 -22.532 -11.998 -7.110 7 HG2 MET 1 2HG MET 1 -23.210 -14.252 -7.164 8 HG3 MET 1 1HG MET 1 -22.367 -14.122 -5.621 9 HE1 MET 1 2HE MET 1 -24.695 -16.203 -6.800 10 HE2 MET 1 3HE MET 1 -25.482 -16.594 -5.275 11 HE3 MET 1 1HE MET 1 -23.717 -16.484 -5.364 12 H ASP 2 H ASP 2 -21.391 -11.211 -2.909 13 HA ASP 2 HA ASP 2 -18.810 -12.166 -3.970 14 HB2 ASP 2 2HB ASP 2 -17.767 -9.902 -3.498 15 HB3 ASP 2 1HB ASP 2 -18.858 -9.938 -4.879 16 H ARG 3 H ARG 3 -17.348 -12.663 -2.270 17 HA ARG 3 HA ARG 3 -17.865 -11.780 0.490 18 HB2 ARG 3 2HB ARG 3 -19.352 -13.859 -0.436 19 HB3 ARG 3 1HB ARG 3 -17.950 -14.734 0.174 20 HG2 ARG 3 2HG ARG 3 -18.937 -12.623 1.986 21 HG3 ARG 3 1HG ARG 3 -20.081 -13.934 1.711 22 HD2 ARG 3 2HD ARG 3 -18.911 -15.018 3.349 23 HD3 ARG 3 1HD ARG 3 -17.708 -15.311 2.078 24 HE ARG 3 HE ARG 3 -16.596 -13.177 2.794 25 HH11 ARG 3 1HH1 ARG 3 -18.694 -12.020 4.515 26 HH12 ARG 3 2HH1 ARG 3 -18.182 -12.457 6.110 27 HH21 ARG 3 1HH2 ARG 3 -15.986 -14.926 4.989 28 HH22 ARG 3 2HH2 ARG 3 -16.628 -14.124 6.382 29 H GLU 4 H GLU 4 -15.556 -11.512 -1.188 30 HA GLU 4 HA GLU 4 -13.586 -13.250 0.268 31 HB2 GLU 4 2HB GLU 4 -13.932 -12.643 -2.657 32 HB3 GLU 4 1HB GLU 4 -12.324 -13.000 -2.030 33 HG2 GLU 4 2HG GLU 4 -12.915 -15.178 -1.383 34 HG3 GLU 4 1HG GLU 4 -14.640 -14.809 -1.374 35 H MET 5 H MET 5 -13.688 -10.377 -1.907 36 HA MET 5 HA MET 5 -11.687 -9.045 -0.108 37 HB2 MET 5 2HB MET 5 -11.460 -9.725 -2.715 38 HB3 MET 5 1HB MET 5 -12.158 -8.117 -2.895 39 HG2 MET 5 2HG MET 5 -10.374 -7.169 -1.490 40 HG3 MET 5 1HG MET 5 -9.682 -8.776 -1.268 41 HE1 MET 5 3HE MET 5 -7.271 -7.258 -2.450 42 HE2 MET 5 1HE MET 5 -8.574 -6.085 -2.192 43 HE3 MET 5 2HE MET 5 -7.744 -6.160 -3.742 44 H ALA 6 H ALA 6 -14.601 -8.962 0.363 45 HA ALA 6 HA ALA 6 -15.860 -6.590 -0.621 46 HB1 ALA 6 1HB ALA 6 -16.876 -8.547 0.628 47 HB2 ALA 6 2HB ALA 6 -17.415 -6.959 1.176 48 HB3 ALA 6 3HB ALA 6 -16.213 -7.853 2.109 49 H ALA 7 H ALA 7 -13.748 -7.086 2.222 50 HA ALA 7 HA ALA 7 -13.947 -4.231 2.986 51 HB1 ALA 7 1HB ALA 7 -12.433 -5.058 4.844 52 HB2 ALA 7 2HB ALA 7 -12.514 -6.660 4.112 53 HB3 ALA 7 3HB ALA 7 -13.978 -5.902 4.738 54 H SER 8 H SER 8 -10.812 -5.747 3.317 55 HA SER 8 HA SER 8 -8.716 -5.172 2.453 56 HB2 SER 8 2HB SER 8 -10.378 -6.020 0.431 57 HB3 SER 8 1HB SER 8 -9.777 -4.490 -0.200 58 HG SER 8 HG SER 8 -8.463 -6.867 0.320 59 H ALA 9 H ALA 9 -10.708 -2.841 3.291 60 HA ALA 9 HA ALA 9 -9.836 -0.560 1.688 61 HB1 ALA 9 1HB ALA 9 -11.362 -0.994 4.260 62 HB2 ALA 9 2HB ALA 9 -11.958 -0.375 2.721 63 HB3 ALA 9 3HB ALA 9 -10.923 0.631 3.733 64 H GLY 10 H GLY 10 -9.023 -1.914 4.892 65 HA2 GLY 10 2HA GLY 10 -6.776 0.025 5.147 66 HA3 GLY 10 1HA GLY 10 -7.398 -0.997 6.442 67 H GLY 11 H GLY 11 -6.747 -2.340 3.242 68 HA2 GLY 11 2HA GLY 11 -4.504 -3.908 4.439 69 HA3 GLY 11 1HA GLY 11 -5.540 -4.483 3.135 70 H ALA 12 H ALA 12 -5.521 -2.204 1.459 71 HA ALA 12 HA ALA 12 -3.189 -2.571 -0.105 72 HB1 ALA 12 1HB ALA 12 -5.385 -0.549 0.088 73 HB2 ALA 12 2HB ALA 12 -4.953 -1.612 -1.251 74 HB3 ALA 12 3HB ALA 12 -3.996 -0.167 -0.931 75 H VAL 13 H VAL 13 -3.927 0.238 2.022 76 HA VAL 13 HA VAL 13 -1.443 1.595 1.750 77 HB VAL 13 HB VAL 13 -3.423 1.429 4.051 78 HG11 VAL 13 1HG1 VAL 13 -1.219 3.443 3.506 79 HG12 VAL 13 2HG1 VAL 13 -1.312 2.336 4.877 80 HG13 VAL 13 3HG1 VAL 13 -2.485 3.643 4.719 81 HG21 VAL 13 3HG2 VAL 13 -4.582 2.304 2.193 82 HG22 VAL 13 1HG2 VAL 13 -3.157 3.147 1.584 83 HG23 VAL 13 2HG2 VAL 13 -3.999 3.754 3.009 84 H PHE 14 H PHE 14 -2.395 -1.023 3.973 85 HA PHE 14 HA PHE 14 -0.052 -1.034 5.629 86 HB2 PHE 14 2HB PHE 14 -2.236 -2.119 6.125 87 HB3 PHE 14 1HB PHE 14 -1.938 -3.278 4.833 88 HD1 PHE 14 1HD PHE 14 -0.638 -2.034 8.100 89 HD2 PHE 14 2HD PHE 14 -0.563 -5.186 5.181 90 HE1 PHE 14 1HE PHE 14 0.650 -3.457 9.667 91 HE2 PHE 14 2HE PHE 14 0.725 -6.607 6.749 92 HZ PHE 14 HZ PHE 14 1.332 -5.744 8.994 93 H VAL 15 H VAL 15 -0.870 -2.902 2.675 94 HA VAL 15 HA VAL 15 1.544 -4.446 2.538 95 HB VAL 15 HB VAL 15 -0.461 -3.513 0.456 96 HG11 VAL 15 1HG1 VAL 15 1.395 -4.080 -0.876 97 HG12 VAL 15 2HG1 VAL 15 0.494 -5.594 -0.791 98 HG13 VAL 15 3HG1 VAL 15 1.915 -5.355 0.226 99 HG21 VAL 15 3HG2 VAL 15 -1.123 -5.077 2.404 100 HG22 VAL 15 1HG2 VAL 15 -0.096 -6.280 1.623 101 HG23 VAL 15 2HG2 VAL 15 -1.497 -5.630 0.772 102 H GLY 16 H GLY 16 0.704 -1.228 1.224 103 HA2 GLY 16 2HA GLY 16 3.048 -0.824 -0.355 104 HA3 GLY 16 1HA GLY 16 2.054 0.467 0.326 105 H LEU 17 H LEU 17 2.337 -0.083 3.065 106 HA LEU 17 HA LEU 17 4.878 1.149 3.669 107 HB2 LEU 17 2HB LEU 17 2.621 1.193 4.932 108 HB3 LEU 17 1HB LEU 17 3.087 -0.380 5.578 109 HG LEU 17 HG LEU 17 5.054 1.876 5.755 110 HD11 LEU 17 1HD1 LEU 17 4.047 2.584 7.896 111 HD12 LEU 17 2HD1 LEU 17 2.699 1.479 7.628 112 HD13 LEU 17 3HD1 LEU 17 2.940 2.856 6.550 113 HD21 LEU 17 3HD2 LEU 17 5.294 0.614 8.056 114 HD22 LEU 17 1HD2 LEU 17 5.944 -0.125 6.594 115 HD23 LEU 17 2HD2 LEU 17 4.393 -0.662 7.238 116 H VAL 18 H VAL 18 3.635 -2.204 4.085 117 HA VAL 18 HA VAL 18 6.023 -3.297 5.238 118 HB VAL 18 HB VAL 18 3.818 -4.530 3.548 119 HG11 VAL 18 1HG1 VAL 18 5.802 -5.939 5.364 120 HG12 VAL 18 2HG1 VAL 18 5.917 -5.918 3.604 121 HG13 VAL 18 3HG1 VAL 18 4.542 -6.692 4.388 122 HG21 VAL 18 3HG2 VAL 18 4.032 -5.080 6.448 123 HG22 VAL 18 1HG2 VAL 18 2.608 -4.713 5.475 124 HG23 VAL 18 2HG2 VAL 18 3.647 -3.408 6.044 125 H LEU 19 H LEU 19 5.024 -2.787 1.851 126 HA LEU 19 HA LEU 19 7.298 -4.199 0.695 127 HB2 LEU 19 2HB LEU 19 5.111 -3.881 -0.421 128 HB3 LEU 19 1HB LEU 19 5.380 -2.140 -0.444 129 HG LEU 19 HG LEU 19 7.682 -3.462 -1.571 130 HD11 LEU 19 1HD1 LEU 19 6.795 -4.712 -3.347 131 HD12 LEU 19 2HD1 LEU 19 5.187 -4.009 -3.166 132 HD13 LEU 19 3HD1 LEU 19 5.771 -5.190 -1.993 133 HD21 LEU 19 3HD2 LEU 19 5.549 -1.774 -2.918 134 HD22 LEU 19 1HD2 LEU 19 7.228 -1.966 -3.419 135 HD23 LEU 19 2HD2 LEU 19 6.848 -1.104 -1.929 136 H LEU 20 H LEU 20 6.630 -0.814 1.590 137 HA LEU 20 HA LEU 20 9.094 0.197 0.337 138 HB2 LEU 20 2HB LEU 20 6.662 1.266 0.988 139 HB3 LEU 20 1HB LEU 20 7.642 1.821 2.342 140 HG LEU 20 HG LEU 20 9.368 2.462 0.449 141 HD11 LEU 20 1HD1 LEU 20 8.346 3.065 -1.653 142 HD12 LEU 20 2HD1 LEU 20 6.741 2.649 -1.051 143 HD13 LEU 20 3HD1 LEU 20 7.935 1.380 -1.327 144 HD21 LEU 20 3HD2 LEU 20 8.432 4.148 1.874 145 HD22 LEU 20 1HD2 LEU 20 6.831 3.961 1.158 146 HD23 LEU 20 2HD2 LEU 20 8.135 4.692 0.223 147 H THR 21 H THR 21 7.949 -0.546 3.637 148 HA THR 21 HA THR 21 10.476 0.340 4.876 149 HB THR 21 HB THR 21 8.110 -1.118 6.079 150 HG1 THR 21 1HG THR 21 8.522 1.674 5.730 151 HG21 THR 21 3HG2 THR 21 10.003 0.862 7.356 152 HG22 THR 21 1HG2 THR 21 10.268 -0.883 7.394 153 HG23 THR 21 2HG2 THR 21 8.836 -0.192 8.155 154 H LEU 22 H LEU 22 8.691 -2.781 4.603 155 HA LEU 22 HA LEU 22 11.059 -4.275 5.559 156 HB2 LEU 22 2HB LEU 22 8.229 -4.606 5.489 157 HB3 LEU 22 1HB LEU 22 8.926 -5.927 4.555 158 HG LEU 22 HG LEU 22 10.118 -5.219 7.221 159 HD11 LEU 22 1HD1 LEU 22 7.564 -6.752 6.700 160 HD12 LEU 22 2HD1 LEU 22 7.831 -5.435 7.844 161 HD13 LEU 22 3HD1 LEU 22 8.539 -7.022 8.146 162 HD21 LEU 22 3HD2 LEU 22 9.741 -7.836 5.724 163 HD22 LEU 22 1HD2 LEU 22 10.692 -7.602 7.190 164 HD23 LEU 22 2HD2 LEU 22 11.206 -6.856 5.677 165 H SER 23 H SER 23 9.069 -4.104 2.601 166 HA SER 23 HA SER 23 9.558 -4.476 0.358 167 HB2 SER 23 2HB SER 23 12.441 -4.707 1.263 168 HB3 SER 23 1HB SER 23 11.865 -4.346 -0.356 169 HG SER 23 HG SER 23 10.896 -2.432 0.570 170 HA PRO 24 HA PRO 24 9.493 -8.913 0.452 171 HB2 PRO 24 2HB PRO 24 8.776 -9.326 -2.145 172 HB3 PRO 24 1HB PRO 24 7.634 -8.802 -0.891 173 HG2 PRO 24 2HG PRO 24 8.939 -7.228 -3.029 174 HG3 PRO 24 1HG PRO 24 7.333 -7.049 -2.306 175 HD2 PRO 24 2HD PRO 24 9.518 -5.468 -1.720 176 HD3 PRO 24 1HD PRO 24 8.088 -5.661 -0.684 177 H HIS 25 H HIS 25 11.575 -7.015 -1.557 178 HA HIS 25 HA HIS 25 13.622 -7.442 -2.616 179 HB2 HIS 25 2HB HIS 25 13.452 -9.554 -0.460 180 HB3 HIS 25 1HB HIS 25 14.880 -9.386 -1.475 181 HD1 HIS 25 1HD HIS 25 12.864 -7.524 1.126 182 HD2 HIS 25 2HD HIS 25 16.487 -7.139 -0.907 183 HE1 HIS 25 1HE HIS 25 14.123 -5.641 2.252 184 H TYR 26 H TYR 26 11.433 -8.382 -4.103 185 HA TYR 26 HA TYR 26 12.624 -10.754 -5.473 186 HB2 TYR 26 2HB TYR 26 10.630 -11.111 -3.744 187 HB3 TYR 26 1HB TYR 26 9.654 -10.572 -5.109 188 HD1 TYR 26 1HD TYR 26 9.834 -11.803 -7.323 189 HD2 TYR 26 2HD TYR 26 11.588 -13.288 -3.692 190 HE1 TYR 26 1HE TYR 26 10.010 -14.061 -8.331 191 HE2 TYR 26 2HE TYR 26 11.763 -15.544 -4.701 192 HH TYR 26 HH TYR 26 10.183 -16.681 -6.948 193 H LYS 27 H LYS 27 12.428 -10.632 -7.716 194 HA LYS 27 HA LYS 27 10.626 -8.577 -8.912 195 HB2 LYS 27 2HB LYS 27 12.936 -7.660 -8.437 196 HB3 LYS 27 1HB LYS 27 13.578 -8.864 -9.554 197 HG2 LYS 27 2HG LYS 27 13.176 -7.425 -11.235 198 HG3 LYS 27 1HG LYS 27 11.452 -7.637 -10.934 199 HD2 LYS 27 2HD LYS 27 11.543 -5.817 -9.244 200 HD3 LYS 27 1HD LYS 27 13.250 -5.577 -9.621 201 HE2 LYS 27 2HE LYS 27 12.610 -5.125 -12.011 202 HE3 LYS 27 1HE LYS 27 10.906 -5.198 -11.520 203 HZ1 LYS 27 3HZ LYS 27 11.737 -2.922 -11.429 204 HZ2 LYS 27 1HZ LYS 27 12.960 -3.386 -10.352 205 HZ3 LYS 27 2HZ LYS 27 11.329 -3.477 -9.876 Start of MODEL 27 1 H1 MET 1 1HT MET 1 -10.499 -10.557 -3.011 2 H2 MET 1 2HT MET 1 -9.692 -11.689 -3.989 3 H3 MET 1 3HT MET 1 -11.218 -11.100 -4.447 4 HA MET 1 HA MET 1 -10.206 -8.816 -4.589 5 HB2 MET 1 2HB MET 1 -7.876 -10.584 -3.893 6 HB3 MET 1 1HB MET 1 -7.595 -9.178 -4.919 7 HG2 MET 1 2HG MET 1 -7.340 -8.124 -2.905 8 HG3 MET 1 1HG MET 1 -9.097 -8.021 -2.990 9 HE1 MET 1 2HE MET 1 -10.105 -9.332 0.192 10 HE2 MET 1 3HE MET 1 -10.489 -8.559 -1.342 11 HE3 MET 1 1HE MET 1 -9.297 -7.833 -0.250 12 H ASP 2 H ASP 2 -10.960 -8.676 -6.683 13 HA ASP 2 HA ASP 2 -9.581 -10.313 -8.783 14 HB2 ASP 2 2HB ASP 2 -12.552 -9.825 -8.423 15 HB3 ASP 2 1HB ASP 2 -11.832 -10.622 -9.819 16 H ARG 3 H ARG 3 -12.004 -7.642 -8.498 17 HA ARG 3 HA ARG 3 -10.336 -6.031 -10.391 18 HB2 ARG 3 2HB ARG 3 -12.401 -7.521 -11.241 19 HB3 ARG 3 1HB ARG 3 -13.316 -6.115 -10.708 20 HG2 ARG 3 2HG ARG 3 -12.528 -4.800 -12.398 21 HG3 ARG 3 1HG ARG 3 -10.907 -5.490 -12.311 22 HD2 ARG 3 2HD ARG 3 -11.864 -6.144 -14.443 23 HD3 ARG 3 1HD ARG 3 -11.856 -7.586 -13.410 24 HE ARG 3 HE ARG 3 -14.283 -6.841 -12.813 25 HH11 ARG 3 1HH1 ARG 3 -13.536 -8.174 -15.588 26 HH12 ARG 3 2HH1 ARG 3 -14.623 -7.304 -16.615 27 HH21 ARG 3 1HH2 ARG 3 -15.345 -4.873 -14.225 28 HH22 ARG 3 2HH2 ARG 3 -15.656 -5.420 -15.837 29 H GLU 4 H GLU 4 -12.931 -4.216 -10.350 30 HA GLU 4 HA GLU 4 -13.665 -2.341 -9.188 31 HB2 GLU 4 2HB GLU 4 -12.867 -3.869 -6.697 32 HB3 GLU 4 1HB GLU 4 -14.132 -2.661 -6.857 33 HG2 GLU 4 2HG GLU 4 -14.120 -5.507 -7.871 34 HG3 GLU 4 1HG GLU 4 -15.282 -4.735 -6.801 35 H MET 5 H MET 5 -11.707 -1.365 -10.158 36 HA MET 5 HA MET 5 -9.814 0.024 -10.063 37 HB2 MET 5 2HB MET 5 -11.506 0.753 -8.128 38 HB3 MET 5 1HB MET 5 -10.167 0.250 -7.099 39 HG2 MET 5 2HG MET 5 -9.780 2.558 -7.513 40 HG3 MET 5 1HG MET 5 -8.676 1.714 -8.598 41 HE1 MET 5 3HE MET 5 -12.068 4.512 -9.542 42 HE2 MET 5 1HE MET 5 -10.651 4.737 -8.500 43 HE3 MET 5 2HE MET 5 -11.902 3.579 -8.058 44 H ALA 6 H ALA 6 -9.506 -2.917 -9.597 45 HA ALA 6 HA ALA 6 -7.907 -4.488 -8.928 46 HB1 ALA 6 1HB ALA 6 -6.671 -3.058 -10.501 47 HB2 ALA 6 2HB ALA 6 -5.604 -3.643 -9.225 48 HB3 ALA 6 3HB ALA 6 -6.208 -1.986 -9.178 49 H ALA 7 H ALA 7 -9.359 -3.226 -6.741 50 HA ALA 7 HA ALA 7 -9.323 -3.039 -4.409 51 HB1 ALA 7 1HB ALA 7 -8.001 -4.712 -3.344 52 HB2 ALA 7 2HB ALA 7 -6.811 -4.701 -4.646 53 HB3 ALA 7 3HB ALA 7 -8.424 -5.360 -4.929 54 H SER 8 H SER 8 -7.751 -0.989 -5.984 55 HA SER 8 HA SER 8 -5.409 -0.347 -4.331 56 HB2 SER 8 2HB SER 8 -6.860 0.925 -6.657 57 HB3 SER 8 1HB SER 8 -5.540 1.751 -5.840 58 HG SER 8 HG SER 8 -4.372 0.586 -7.172 59 H ALA 9 H ALA 9 -6.597 -0.208 -2.238 60 HA ALA 9 HA ALA 9 -7.568 2.540 -1.737 61 HB1 ALA 9 1HB ALA 9 -9.699 1.706 -0.782 62 HB2 ALA 9 2HB ALA 9 -9.267 0.068 -1.274 63 HB3 ALA 9 3HB ALA 9 -9.555 1.310 -2.494 64 H GLY 10 H GLY 10 -7.763 -0.613 -0.005 65 HA2 GLY 10 2HA GLY 10 -6.451 0.676 2.340 66 HA3 GLY 10 1HA GLY 10 -7.441 -0.780 2.402 67 H GLY 11 H GLY 11 -6.014 -1.909 -0.017 68 HA2 GLY 11 2HA GLY 11 -4.057 -3.473 1.302 69 HA3 GLY 11 1HA GLY 11 -4.203 -3.315 -0.448 70 H ALA 12 H ALA 12 -3.526 -0.759 -1.010 71 HA ALA 12 HA ALA 12 -0.693 -0.673 -0.806 72 HB1 ALA 12 1HB ALA 12 -1.927 0.501 -2.525 73 HB2 ALA 12 2HB ALA 12 -1.019 1.693 -1.594 74 HB3 ALA 12 3HB ALA 12 -2.749 1.492 -1.320 75 H VAL 13 H VAL 13 -3.128 0.556 1.450 76 HA VAL 13 HA VAL 13 -1.425 2.396 2.884 77 HB VAL 13 HB VAL 13 -3.940 0.878 3.657 78 HG11 VAL 13 1HG1 VAL 13 -2.567 3.227 5.000 79 HG12 VAL 13 2HG1 VAL 13 -2.776 1.612 5.677 80 HG13 VAL 13 3HG1 VAL 13 -4.181 2.642 5.404 81 HG21 VAL 13 3HG2 VAL 13 -3.359 3.539 2.369 82 HG22 VAL 13 1HG2 VAL 13 -4.831 3.324 3.317 83 HG23 VAL 13 2HG2 VAL 13 -4.539 2.317 1.899 84 H PHE 14 H PHE 14 -2.136 -1.091 3.301 85 HA PHE 14 HA PHE 14 -0.190 -1.171 5.576 86 HB2 PHE 14 2HB PHE 14 -2.636 -2.050 5.651 87 HB3 PHE 14 1HB PHE 14 -2.030 -3.392 4.680 88 HD1 PHE 14 2HD PHE 14 -1.719 -1.635 7.928 89 HD2 PHE 14 1HD PHE 14 -0.574 -5.070 5.616 90 HE1 PHE 14 2HE PHE 14 -0.808 -2.706 9.970 91 HE2 PHE 14 1HE PHE 14 0.337 -6.141 7.658 92 HZ PHE 14 HZ PHE 14 0.220 -4.959 9.836 93 H VAL 15 H VAL 15 -1.078 -3.062 2.661 94 HA VAL 15 HA VAL 15 1.252 -4.725 2.574 95 HB VAL 15 HB VAL 15 -0.513 -3.723 0.307 96 HG11 VAL 15 1HG1 VAL 15 1.499 -4.838 -0.512 97 HG12 VAL 15 2HG1 VAL 15 0.107 -5.895 -0.749 98 HG13 VAL 15 3HG1 VAL 15 1.226 -6.195 0.580 99 HG21 VAL 15 3HG2 VAL 15 -1.503 -6.153 0.826 100 HG22 VAL 15 1HG2 VAL 15 -2.083 -4.730 1.691 101 HG23 VAL 15 2HG2 VAL 15 -0.896 -5.795 2.442 102 H GLY 16 H GLY 16 0.504 -1.649 0.883 103 HA2 GLY 16 2HA GLY 16 2.960 -1.393 -0.534 104 HA3 GLY 16 1HA GLY 16 1.905 -0.047 -0.100 105 H LEU 17 H LEU 17 2.011 -0.338 2.733 106 HA LEU 17 HA LEU 17 4.382 1.135 3.403 107 HB2 LEU 17 2HB LEU 17 2.179 1.153 4.594 108 HB3 LEU 17 1HB LEU 17 2.520 -0.471 5.185 109 HG LEU 17 HG LEU 17 4.763 1.305 5.706 110 HD11 LEU 17 1HD1 LEU 17 3.616 2.704 7.413 111 HD12 LEU 17 2HD1 LEU 17 2.063 2.089 6.847 112 HD13 LEU 17 3HD1 LEU 17 3.067 3.067 5.777 113 HD21 LEU 17 3HD2 LEU 17 4.480 0.421 7.969 114 HD22 LEU 17 1HD2 LEU 17 4.273 -0.889 6.807 115 HD23 LEU 17 2HD2 LEU 17 2.862 -0.158 7.572 116 H VAL 18 H VAL 18 3.533 -2.322 3.870 117 HA VAL 18 HA VAL 18 5.902 -3.108 5.281 118 HB VAL 18 HB VAL 18 3.927 -4.549 3.481 119 HG11 VAL 18 1HG1 VAL 18 4.869 -6.643 4.619 120 HG12 VAL 18 2HG1 VAL 18 6.264 -5.656 5.055 121 HG13 VAL 18 3HG1 VAL 18 5.870 -5.927 3.357 122 HG21 VAL 18 3HG2 VAL 18 4.347 -4.680 6.483 123 HG22 VAL 18 1HG2 VAL 18 3.001 -5.354 5.565 124 HG23 VAL 18 2HG2 VAL 18 3.183 -3.606 5.707 125 H LEU 19 H LEU 19 5.160 -2.951 1.790 126 HA LEU 19 HA LEU 19 7.648 -4.095 0.869 127 HB2 LEU 19 2HB LEU 19 5.304 -3.631 -0.271 128 HB3 LEU 19 1HB LEU 19 6.055 -2.098 -0.711 129 HG LEU 19 HG LEU 19 7.488 -4.705 -1.211 130 HD11 LEU 19 1HD1 LEU 19 5.221 -4.837 -2.244 131 HD12 LEU 19 2HD1 LEU 19 6.514 -4.791 -3.441 132 HD13 LEU 19 3HD1 LEU 19 5.562 -3.343 -3.116 133 HD21 LEU 19 3HD2 LEU 19 7.706 -1.845 -2.058 134 HD22 LEU 19 1HD2 LEU 19 8.152 -3.075 -3.241 135 HD23 LEU 19 2HD2 LEU 19 8.981 -3.005 -1.687 136 H LEU 20 H LEU 20 6.671 -0.787 1.746 137 HA LEU 20 HA LEU 20 9.020 0.491 0.575 138 HB2 LEU 20 2HB LEU 20 6.618 1.382 1.228 139 HB3 LEU 20 1HB LEU 20 7.378 1.665 2.794 140 HG LEU 20 HG LEU 20 9.262 2.830 1.445 141 HD11 LEU 20 1HD1 LEU 20 7.002 2.954 -0.577 142 HD12 LEU 20 2HD1 LEU 20 8.474 2.003 -0.770 143 HD13 LEU 20 3HD1 LEU 20 8.564 3.763 -0.707 144 HD21 LEU 20 3HD2 LEU 20 7.998 4.952 1.449 145 HD22 LEU 20 1HD2 LEU 20 7.641 4.011 2.897 146 HD23 LEU 20 2HD2 LEU 20 6.484 4.056 1.568 147 H THR 21 H THR 21 8.206 -0.840 3.763 148 HA THR 21 HA THR 21 10.351 0.340 5.263 149 HB THR 21 HB THR 21 8.656 -2.150 5.574 150 HG1 THR 21 1HG THR 21 7.451 -0.382 5.917 151 HG21 THR 21 3HG2 THR 21 10.633 -0.948 7.534 152 HG22 THR 21 1HG2 THR 21 10.712 -2.557 6.816 153 HG23 THR 21 2HG2 THR 21 9.421 -2.159 7.949 154 H LEU 22 H LEU 22 10.188 -2.751 3.434 155 HA LEU 22 HA LEU 22 13.119 -3.120 3.966 156 HB2 LEU 22 2HB LEU 22 10.808 -4.979 3.461 157 HB3 LEU 22 1HB LEU 22 12.468 -5.524 3.223 158 HG LEU 22 HG LEU 22 12.414 -4.144 5.707 159 HD11 LEU 22 1HD1 LEU 22 10.748 -5.598 6.918 160 HD12 LEU 22 2HD1 LEU 22 10.134 -6.107 5.346 161 HD13 LEU 22 3HD1 LEU 22 10.015 -4.417 5.832 162 HD21 LEU 22 3HD2 LEU 22 12.490 -7.115 5.079 163 HD22 LEU 22 1HD2 LEU 22 13.023 -6.372 6.587 164 HD23 LEU 22 2HD2 LEU 22 13.885 -6.034 5.084 165 H SER 23 H SER 23 10.974 -2.199 1.466 166 HA SER 23 HA SER 23 11.305 -1.764 -0.795 167 HB2 SER 23 2HB SER 23 13.856 -1.694 0.413 168 HB3 SER 23 1HB SER 23 14.051 -2.633 -1.062 169 HG SER 23 HG SER 23 13.149 0.017 -0.697 170 HA PRO 24 HA PRO 24 10.882 -5.674 -2.782 171 HB2 PRO 24 2HB PRO 24 11.258 -4.998 -5.402 172 HB3 PRO 24 1HB PRO 24 9.817 -4.530 -4.480 173 HG2 PRO 24 2HG PRO 24 12.124 -2.904 -5.313 174 HG3 PRO 24 1HG PRO 24 10.449 -2.427 -5.009 175 HD2 PRO 24 2HD PRO 24 12.628 -2.048 -3.292 176 HD3 PRO 24 1HD PRO 24 10.910 -1.852 -2.885 177 H HIS 25 H HIS 25 13.105 -6.114 -1.614 178 HA HIS 25 HA HIS 25 15.216 -7.114 -1.638 179 HB2 HIS 25 2HB HIS 25 13.656 -8.365 -3.439 180 HB3 HIS 25 1HB HIS 25 14.909 -7.780 -4.533 181 HD1 HIS 25 1HD HIS 25 17.459 -8.125 -3.055 182 HD2 HIS 25 2HD HIS 25 14.385 -10.927 -2.729 183 HE1 HIS 25 1HE HIS 25 18.533 -10.279 -2.273 184 H TYR 26 H TYR 26 15.389 -4.388 -1.934 185 HA TYR 26 HA TYR 26 17.193 -3.800 -4.228 186 HB2 TYR 26 2HB TYR 26 15.202 -2.371 -3.427 187 HB3 TYR 26 1HB TYR 26 16.219 -1.929 -2.056 188 HD1 TYR 26 1HD TYR 26 15.772 -1.663 -5.708 189 HD2 TYR 26 2HD TYR 26 18.210 -0.549 -2.350 190 HE1 TYR 26 1HE TYR 26 16.911 0.042 -7.101 191 HE2 TYR 26 2HE TYR 26 19.349 1.156 -3.745 192 HH TYR 26 HH TYR 26 18.307 2.461 -6.272 193 H LYS 27 H LYS 27 17.194 -3.466 -0.644 194 HA LYS 27 HA LYS 27 20.156 -3.882 -0.673 195 HB2 LYS 27 2HB LYS 27 18.547 -1.554 0.269 196 HB3 LYS 27 1HB LYS 27 19.916 -2.037 1.271 197 HG2 LYS 27 2HG LYS 27 21.406 -1.910 -0.691 198 HG3 LYS 27 1HG LYS 27 20.043 -1.419 -1.695 199 HD2 LYS 27 2HD LYS 27 20.736 0.687 -1.169 200 HD3 LYS 27 1HD LYS 27 19.836 0.397 0.319 201 HE2 LYS 27 2HE LYS 27 22.283 -0.772 0.882 202 HE3 LYS 27 1HE LYS 27 22.741 0.649 -0.075 203 HZ1 LYS 27 3HZ LYS 27 22.516 1.338 2.185 204 HZ2 LYS 27 1HZ LYS 27 20.996 0.604 2.330 205 HZ3 LYS 27 2HZ LYS 27 21.191 1.967 1.329 Start of MODEL 28 1 H1 MET 1 1HT MET 1 -21.086 -13.850 11.230 2 H2 MET 1 2HT MET 1 -20.649 -15.205 12.155 3 H3 MET 1 3HT MET 1 -21.201 -15.402 10.558 4 HA MET 1 HA MET 1 -18.626 -14.193 11.446 5 HB2 MET 1 2HB MET 1 -19.160 -16.752 11.259 6 HB3 MET 1 1HB MET 1 -19.092 -16.465 9.521 7 HG2 MET 1 2HG MET 1 -16.828 -15.160 10.534 8 HG3 MET 1 1HG MET 1 -16.912 -16.672 11.436 9 HE1 MET 1 2HE MET 1 -15.533 -15.077 8.271 10 HE2 MET 1 3HE MET 1 -17.280 -15.002 8.071 11 HE3 MET 1 1HE MET 1 -16.300 -15.986 6.973 12 H ASP 2 H ASP 2 -17.766 -12.685 10.062 13 HA ASP 2 HA ASP 2 -18.527 -12.659 7.193 14 HB2 ASP 2 2HB ASP 2 -20.056 -11.252 8.884 15 HB3 ASP 2 1HB ASP 2 -18.760 -10.073 8.669 16 H ARG 3 H ARG 3 -17.241 -10.816 6.061 17 HA ARG 3 HA ARG 3 -14.489 -10.735 7.231 18 HB2 ARG 3 2HB ARG 3 -15.380 -11.683 4.842 19 HB3 ARG 3 1HB ARG 3 -14.966 -10.028 4.391 20 HG2 ARG 3 2HG ARG 3 -12.715 -10.323 5.362 21 HG3 ARG 3 1HG ARG 3 -13.126 -11.981 5.806 22 HD2 ARG 3 2HD ARG 3 -13.761 -12.076 3.179 23 HD3 ARG 3 1HD ARG 3 -12.475 -10.854 3.129 24 HE ARG 3 HE ARG 3 -11.316 -12.709 4.726 25 HH11 ARG 3 1HH2 ARG 3 -10.343 -12.628 1.979 26 HH12 ARG 3 2HH2 ARG 3 -10.713 -14.201 1.360 27 HH21 ARG 3 1HH1 ARG 3 -13.019 -14.917 3.879 28 HH22 ARG 3 2HH1 ARG 3 -12.248 -15.511 2.448 29 H GLU 4 H GLU 4 -16.598 -8.813 8.024 30 HA GLU 4 HA GLU 4 -16.470 -6.294 6.711 31 HB2 GLU 4 2HB GLU 4 -17.517 -7.431 9.096 32 HB3 GLU 4 1HB GLU 4 -16.574 -6.028 9.592 33 HG2 GLU 4 2HG GLU 4 -18.600 -5.010 9.139 34 HG3 GLU 4 1HG GLU 4 -17.831 -4.876 7.560 35 H MET 5 H MET 5 -14.360 -7.702 9.213 36 HA MET 5 HA MET 5 -12.165 -5.852 8.454 37 HB2 MET 5 2HB MET 5 -13.853 -5.182 10.476 38 HB3 MET 5 1HB MET 5 -12.678 -6.142 11.370 39 HG2 MET 5 2HG MET 5 -11.328 -4.342 11.401 40 HG3 MET 5 1HG MET 5 -11.152 -4.510 9.656 41 HE1 MET 5 3HE MET 5 -12.761 -3.148 7.849 42 HE2 MET 5 1HE MET 5 -11.166 -2.665 8.451 43 HE3 MET 5 2HE MET 5 -12.446 -1.470 8.277 44 H ALA 6 H ALA 6 -12.568 -8.710 8.086 45 HA ALA 6 HA ALA 6 -10.941 -10.105 10.116 46 HB1 ALA 6 1HB ALA 6 -12.280 -10.896 7.512 47 HB2 ALA 6 2HB ALA 6 -12.816 -11.273 9.150 48 HB3 ALA 6 3HB ALA 6 -11.362 -12.031 8.502 49 H ALA 7 H ALA 7 -10.674 -9.480 6.584 50 HA ALA 7 HA ALA 7 -7.772 -9.018 6.822 51 HB1 ALA 7 1HB ALA 7 -7.181 -10.892 5.374 52 HB2 ALA 7 2HB ALA 7 -8.880 -11.332 5.199 53 HB3 ALA 7 3HB ALA 7 -8.082 -11.502 6.763 54 H SER 8 H SER 8 -7.553 -7.220 5.540 55 HA SER 8 HA SER 8 -8.989 -7.152 2.899 56 HB2 SER 8 2HB SER 8 -9.907 -5.697 4.797 57 HB3 SER 8 1HB SER 8 -8.406 -4.784 4.698 58 HG SER 8 HG SER 8 -8.914 -4.262 2.575 59 H ALA 9 H ALA 9 -6.266 -8.089 3.367 60 HA ALA 9 HA ALA 9 -4.058 -7.780 2.635 61 HB1 ALA 9 1HB ALA 9 -5.508 -7.701 0.555 62 HB2 ALA 9 2HB ALA 9 -3.955 -6.880 0.398 63 HB3 ALA 9 3HB ALA 9 -5.427 -5.941 0.649 64 H GLY 10 H GLY 10 -4.088 -6.411 4.826 65 HA2 GLY 10 2HA GLY 10 -3.254 -4.557 6.005 66 HA3 GLY 10 1HA GLY 10 -2.330 -4.206 4.546 67 H GLY 11 H GLY 11 -5.864 -4.281 4.578 68 HA2 GLY 11 2HA GLY 11 -7.423 -2.598 4.147 69 HA3 GLY 11 1HA GLY 11 -6.348 -1.524 5.045 70 H ALA 12 H ALA 12 -5.208 -3.197 2.155 71 HA ALA 12 HA ALA 12 -4.378 -2.373 0.124 72 HB1 ALA 12 1HB ALA 12 -5.981 -1.108 -1.105 73 HB2 ALA 12 2HB ALA 12 -6.627 -0.362 0.357 74 HB3 ALA 12 3HB ALA 12 -6.932 -2.068 0.029 75 H VAL 13 H VAL 13 -3.473 -1.124 2.701 76 HA VAL 13 HA VAL 13 -2.209 1.343 1.587 77 HB VAL 13 HB VAL 13 -3.692 0.951 4.215 78 HG11 VAL 13 1HG1 VAL 13 -3.000 3.415 4.571 79 HG12 VAL 13 2HG1 VAL 13 -1.757 3.111 3.357 80 HG13 VAL 13 3HG1 VAL 13 -1.769 2.184 4.857 81 HG21 VAL 13 3HG2 VAL 13 -4.031 2.908 1.917 82 HG22 VAL 13 1HG2 VAL 13 -4.953 2.957 3.420 83 HG23 VAL 13 2HG2 VAL 13 -5.118 1.583 2.328 84 H PHE 14 H PHE 14 -2.366 -0.737 4.495 85 HA PHE 14 HA PHE 14 0.315 -0.506 5.365 86 HB2 PHE 14 2HB PHE 14 -1.790 -1.543 6.455 87 HB3 PHE 14 1HB PHE 14 -1.368 -3.007 5.570 88 HD1 PHE 14 1HD PHE 14 0.101 -0.462 7.895 89 HD2 PHE 14 2HD PHE 14 0.222 -4.504 6.446 90 HE1 PHE 14 1HE PHE 14 1.793 -1.027 9.614 91 HE2 PHE 14 2HE PHE 14 1.913 -5.069 8.168 92 HZ PHE 14 HZ PHE 14 2.699 -3.331 9.753 93 H VAL 15 H VAL 15 -1.096 -2.582 2.838 94 HA VAL 15 HA VAL 15 1.019 -4.439 2.460 95 HB VAL 15 HB VAL 15 -1.127 -3.187 0.732 96 HG11 VAL 15 1HG1 VAL 15 -0.366 -5.143 -0.906 97 HG12 VAL 15 2HG1 VAL 15 1.216 -4.819 -0.200 98 HG13 VAL 15 3HG1 VAL 15 0.344 -3.535 -1.035 99 HG21 VAL 15 3HG2 VAL 15 -0.578 -6.082 1.424 100 HG22 VAL 15 1HG2 VAL 15 -2.087 -5.366 0.860 101 HG23 VAL 15 2HG2 VAL 15 -1.496 -5.013 2.484 102 H GLY 16 H GLY 16 0.578 -1.156 1.086 103 HA2 GLY 16 2HA GLY 16 3.034 -1.165 -0.434 104 HA3 GLY 16 1HA GLY 16 2.083 0.264 -0.023 105 H LEU 17 H LEU 17 2.152 -0.147 2.859 106 HA LEU 17 HA LEU 17 4.583 1.218 3.542 107 HB2 LEU 17 2HB LEU 17 2.289 -0.067 4.965 108 HB3 LEU 17 1HB LEU 17 3.734 0.279 5.912 109 HG LEU 17 HG LEU 17 3.539 2.636 4.662 110 HD11 LEU 17 1HD1 LEU 17 1.083 3.242 4.593 111 HD12 LEU 17 2HD1 LEU 17 0.723 1.520 4.717 112 HD13 LEU 17 3HD1 LEU 17 1.602 2.139 3.319 113 HD21 LEU 17 3HD2 LEU 17 2.006 1.679 7.095 114 HD22 LEU 17 1HD2 LEU 17 2.115 3.382 6.646 115 HD23 LEU 17 2HD2 LEU 17 3.576 2.483 7.055 116 H VAL 18 H VAL 18 3.602 -2.210 3.940 117 HA VAL 18 HA VAL 18 5.961 -3.150 5.264 118 HB VAL 18 HB VAL 18 3.947 -4.460 3.402 119 HG11 VAL 18 1HG1 VAL 18 5.665 -6.025 3.287 120 HG12 VAL 18 2HG1 VAL 18 4.831 -6.563 4.744 121 HG13 VAL 18 3HG1 VAL 18 6.301 -5.598 4.876 122 HG21 VAL 18 3HG2 VAL 18 3.275 -3.474 5.692 123 HG22 VAL 18 1HG2 VAL 18 4.236 -4.773 6.396 124 HG23 VAL 18 2HG2 VAL 18 2.840 -5.155 5.387 125 H LEU 19 H LEU 19 5.153 -2.877 1.801 126 HA LEU 19 HA LEU 19 7.545 -4.051 0.726 127 HB2 LEU 19 2HB LEU 19 5.369 -3.627 -0.443 128 HB3 LEU 19 1HB LEU 19 5.726 -1.902 -0.410 129 HG LEU 19 HG LEU 19 7.940 -2.546 -1.600 130 HD11 LEU 19 1HD1 LEU 19 7.667 -4.615 -3.014 131 HD12 LEU 19 2HD1 LEU 19 6.262 -5.034 -2.034 132 HD13 LEU 19 3HD1 LEU 19 7.859 -4.947 -1.293 133 HD21 LEU 19 3HD2 LEU 19 6.823 -2.449 -3.788 134 HD22 LEU 19 1HD2 LEU 19 6.042 -1.343 -2.658 135 HD23 LEU 19 2HD2 LEU 19 5.288 -2.891 -3.040 136 H LEU 20 H LEU 20 6.723 -0.751 1.750 137 HA LEU 20 HA LEU 20 9.041 0.599 0.704 138 HB2 LEU 20 2HB LEU 20 6.763 1.483 1.548 139 HB3 LEU 20 1HB LEU 20 7.460 1.362 3.164 140 HG LEU 20 HG LEU 20 9.471 2.678 1.976 141 HD11 LEU 20 1HD1 LEU 20 6.986 3.556 0.469 142 HD12 LEU 20 2HD1 LEU 20 8.358 2.699 -0.233 143 HD13 LEU 20 3HD1 LEU 20 8.566 4.335 0.389 144 HD21 LEU 20 3HD2 LEU 20 7.977 3.327 3.957 145 HD22 LEU 20 1HD2 LEU 20 6.947 4.147 2.783 146 HD23 LEU 20 2HD2 LEU 20 8.619 4.663 3.002 147 H THR 21 H THR 21 8.308 -0.754 3.948 148 HA THR 21 HA THR 21 10.821 -0.033 5.165 149 HB THR 21 HB THR 21 8.863 -2.255 5.835 150 HG1 THR 21 1HG THR 21 8.964 0.434 6.750 151 HG21 THR 21 3HG2 THR 21 10.627 -2.684 7.260 152 HG22 THR 21 1HG2 THR 21 9.757 -1.484 8.214 153 HG23 THR 21 2HG2 THR 21 11.169 -1.006 7.272 154 H LEU 22 H LEU 22 9.893 -2.706 3.069 155 HA LEU 22 HA LEU 22 11.888 -4.624 3.779 156 HB2 LEU 22 2HB LEU 22 9.788 -4.386 1.977 157 HB3 LEU 22 1HB LEU 22 11.203 -4.470 0.929 158 HG LEU 22 HG LEU 22 11.918 -6.461 2.466 159 HD11 LEU 22 1HD1 LEU 22 10.327 -6.384 4.209 160 HD12 LEU 22 2HD1 LEU 22 9.743 -7.688 3.178 161 HD13 LEU 22 3HD1 LEU 22 8.988 -6.096 3.099 162 HD21 LEU 22 3HD2 LEU 22 9.577 -6.709 0.546 163 HD22 LEU 22 1HD2 LEU 22 10.668 -8.013 1.013 164 HD23 LEU 22 2HD2 LEU 22 11.276 -6.647 0.079 165 H SER 23 H SER 23 11.947 -2.199 1.107 166 HA SER 23 HA SER 23 14.875 -1.905 1.461 167 HB2 SER 23 2HB SER 23 14.154 -3.891 -0.110 168 HB3 SER 23 1HB SER 23 13.826 -2.611 -1.271 169 HG SER 23 HG SER 23 15.956 -2.017 -1.187 170 HA PRO 24 HA PRO 24 12.708 1.941 0.058 171 HB2 PRO 24 2HB PRO 24 13.459 3.535 2.147 172 HB3 PRO 24 1HB PRO 24 12.014 2.507 2.184 173 HG2 PRO 24 2HG PRO 24 14.616 2.138 3.513 174 HG3 PRO 24 1HG PRO 24 13.006 1.585 3.991 175 HD2 PRO 24 2HD PRO 24 15.010 0.033 2.805 176 HD3 PRO 24 1HD PRO 24 13.302 -0.414 3.000 177 H HIS 25 H HIS 25 14.633 1.448 -1.475 178 HA HIS 25 HA HIS 25 16.561 2.124 -2.608 179 HB2 HIS 25 2HB HIS 25 15.275 4.474 -1.396 180 HB3 HIS 25 1HB HIS 25 16.982 4.729 -1.758 181 HD1 HIS 25 1HD HIS 25 13.748 3.691 -3.449 182 HD2 HIS 25 2HD HIS 25 17.576 4.984 -4.480 183 HE1 HIS 25 1HE HIS 25 13.713 4.105 -5.946 184 H TYR 26 H TYR 26 17.515 0.503 -0.920 185 HA TYR 26 HA TYR 26 19.275 1.688 1.129 186 HB2 TYR 26 2HB TYR 26 17.909 -0.604 1.013 187 HB3 TYR 26 1HB TYR 26 19.398 -1.174 0.264 188 HD1 TYR 26 1HD TYR 26 21.612 -0.745 1.491 189 HD2 TYR 26 2HD TYR 26 17.763 -0.332 3.355 190 HE1 TYR 26 1HE TYR 26 22.675 -0.908 3.726 191 HE2 TYR 26 2HE TYR 26 18.827 -0.495 5.588 192 HH TYR 26 HH TYR 26 21.584 0.089 6.355 193 H LYS 27 H LYS 27 19.594 0.094 -2.048 194 HA LYS 27 HA LYS 27 22.535 0.321 -2.004 195 HB2 LYS 27 2HB LYS 27 22.411 -0.950 -4.049 196 HB3 LYS 27 1HB LYS 27 21.247 -1.639 -2.927 197 HG2 LYS 27 2HG LYS 27 19.786 -1.463 -4.658 198 HG3 LYS 27 1HG LYS 27 19.712 0.243 -4.222 199 HD2 LYS 27 2HD LYS 27 21.870 0.392 -5.763 200 HD3 LYS 27 1HD LYS 27 21.198 -1.079 -6.464 201 HE2 LYS 27 2HE LYS 27 20.099 0.478 -7.783 202 HE3 LYS 27 1HE LYS 27 18.950 0.420 -6.433 203 HZ1 LYS 27 3HZ LYS 27 20.167 2.237 -5.366 204 HZ2 LYS 27 1HZ LYS 27 19.588 2.702 -6.892 205 HZ3 LYS 27 2HZ LYS 27 21.230 2.316 -6.694 Start of MODEL 29 1 H1 MET 1 1HT MET 1 -19.914 -2.359 6.663 2 H2 MET 1 2HT MET 1 -18.495 -1.921 5.829 3 H3 MET 1 3HT MET 1 -18.460 -3.171 6.977 4 HA MET 1 HA MET 1 -19.816 -4.585 5.601 5 HB2 MET 1 2HB MET 1 -20.399 -1.971 4.470 6 HB3 MET 1 1HB MET 1 -19.967 -3.113 3.201 7 HG2 MET 1 2HG MET 1 -21.898 -3.956 5.342 8 HG3 MET 1 1HG MET 1 -22.462 -2.961 4.000 9 HE1 MET 1 2HE MET 1 -23.893 -5.352 4.352 10 HE2 MET 1 3HE MET 1 -23.793 -6.370 2.920 11 HE3 MET 1 1HE MET 1 -24.058 -4.626 2.756 12 H ASP 2 H ASP 2 -18.669 -5.997 4.228 13 HA ASP 2 HA ASP 2 -15.850 -5.729 3.948 14 HB2 ASP 2 2HB ASP 2 -17.311 -7.817 3.913 15 HB3 ASP 2 1HB ASP 2 -17.672 -7.431 2.230 16 H ARG 3 H ARG 3 -18.376 -5.375 1.409 17 HA ARG 3 HA ARG 3 -16.517 -4.535 -0.656 18 HB2 ARG 3 2HB ARG 3 -18.809 -5.626 -0.896 19 HB3 ARG 3 1HB ARG 3 -19.504 -4.051 -0.510 20 HG2 ARG 3 2HG ARG 3 -17.533 -3.596 -2.503 21 HG3 ARG 3 1HG ARG 3 -18.465 -4.995 -3.029 22 HD2 ARG 3 2HD ARG 3 -19.637 -3.094 -3.894 23 HD3 ARG 3 1HD ARG 3 -20.568 -3.594 -2.470 24 HE ARG 3 HE ARG 3 -19.546 -1.766 -1.208 25 HH11 ARG 3 1HH2 ARG 3 -20.592 -0.474 -3.776 26 HH12 ARG 3 2HH2 ARG 3 -19.256 0.539 -4.204 27 HH21 ARG 3 1HH1 ARG 3 -17.016 -1.073 -2.077 28 HH22 ARG 3 2HH1 ARG 3 -17.217 0.199 -3.237 29 H GLU 4 H GLU 4 -18.557 -2.803 1.681 30 HA GLU 4 HA GLU 4 -18.502 -0.170 0.668 31 HB2 GLU 4 2HB GLU 4 -19.861 -0.728 2.534 32 HB3 GLU 4 1HB GLU 4 -18.508 -1.418 3.417 33 HG2 GLU 4 2HG GLU 4 -17.594 1.092 3.247 34 HG3 GLU 4 1HG GLU 4 -19.319 1.441 3.116 35 H MET 5 H MET 5 -16.180 -1.617 3.003 36 HA MET 5 HA MET 5 -14.285 0.598 2.559 37 HB2 MET 5 2HB MET 5 -13.022 -0.467 4.353 38 HB3 MET 5 1HB MET 5 -14.722 -0.397 4.800 39 HG2 MET 5 2HG MET 5 -14.928 -2.789 3.952 40 HG3 MET 5 1HG MET 5 -13.173 -2.807 3.821 41 HE1 MET 5 3HE MET 5 -11.694 -3.607 5.663 42 HE2 MET 5 1HE MET 5 -12.961 -4.785 5.277 43 HE3 MET 5 2HE MET 5 -12.497 -4.500 6.951 44 H ALA 6 H ALA 6 -14.638 -2.787 1.588 45 HA ALA 6 HA ALA 6 -13.448 -4.149 0.116 46 HB1 ALA 6 1HB ALA 6 -14.250 -2.226 -1.274 47 HB2 ALA 6 2HB ALA 6 -12.800 -3.005 -1.910 48 HB3 ALA 6 3HB ALA 6 -12.671 -1.468 -1.055 49 H ALA 7 H ALA 7 -11.946 -3.278 2.551 50 HA ALA 7 HA ALA 7 -9.790 -3.366 3.462 51 HB1 ALA 7 1HB ALA 7 -9.355 -4.980 0.941 52 HB2 ALA 7 2HB ALA 7 -10.098 -5.588 2.421 53 HB3 ALA 7 3HB ALA 7 -8.407 -5.084 2.423 54 H SER 8 H SER 8 -10.225 -0.985 1.885 55 HA SER 8 HA SER 8 -7.841 -0.532 0.211 56 HB2 SER 8 2HB SER 8 -10.058 0.437 -0.301 57 HB3 SER 8 1HB SER 8 -10.036 1.305 1.228 58 HG SER 8 HG SER 8 -9.318 2.480 -0.728 59 H ALA 9 H ALA 9 -9.096 1.084 3.171 60 HA ALA 9 HA ALA 9 -6.535 2.335 3.773 61 HB1 ALA 9 1HB ALA 9 -8.780 3.273 4.339 62 HB2 ALA 9 2HB ALA 9 -7.741 3.129 5.756 63 HB3 ALA 9 3HB ALA 9 -9.020 1.947 5.477 64 H GLY 10 H GLY 10 -8.442 -0.234 5.415 65 HA2 GLY 10 2HA GLY 10 -6.060 -1.026 6.977 66 HA3 GLY 10 1HA GLY 10 -7.696 -1.651 7.192 67 H GLY 11 H GLY 11 -5.020 -1.689 4.800 68 HA2 GLY 11 2HA GLY 11 -4.675 -4.413 4.558 69 HA3 GLY 11 1HA GLY 11 -6.053 -4.093 3.508 70 H ALA 12 H ALA 12 -5.727 -2.444 1.792 71 HA ALA 12 HA ALA 12 -3.438 -2.939 0.175 72 HB1 ALA 12 1HB ALA 12 -4.366 -0.658 -0.857 73 HB2 ALA 12 2HB ALA 12 -5.704 -0.997 0.239 74 HB3 ALA 12 3HB ALA 12 -5.263 -2.169 -1.003 75 H VAL 13 H VAL 13 -4.177 -0.039 2.163 76 HA VAL 13 HA VAL 13 -1.787 1.420 1.583 77 HB VAL 13 HB VAL 13 -3.634 1.361 3.997 78 HG11 VAL 13 1HG1 VAL 13 -1.489 2.366 4.644 79 HG12 VAL 13 2HG1 VAL 13 -2.725 3.615 4.509 80 HG13 VAL 13 3HG1 VAL 13 -1.533 3.413 3.225 81 HG21 VAL 13 3HG2 VAL 13 -4.403 2.033 1.575 82 HG22 VAL 13 1HG2 VAL 13 -3.490 3.509 1.891 83 HG23 VAL 13 2HG2 VAL 13 -4.842 3.068 2.933 84 H PHE 14 H PHE 14 -2.510 -1.018 4.083 85 HA PHE 14 HA PHE 14 -0.028 -0.828 5.524 86 HB2 PHE 14 2HB PHE 14 -2.276 -1.935 6.145 87 HB3 PHE 14 1HB PHE 14 -1.725 -3.308 5.185 88 HD1 PHE 14 2HD PHE 14 -1.007 -1.230 8.173 89 HD2 PHE 14 1HD PHE 14 0.037 -4.763 5.961 90 HE1 PHE 14 2HE PHE 14 0.358 -2.024 10.084 91 HE2 PHE 14 1HE PHE 14 1.401 -5.555 7.873 92 HZ PHE 14 HZ PHE 14 1.563 -4.187 9.935 93 H VAL 15 H VAL 15 -1.057 -2.863 2.758 94 HA VAL 15 HA VAL 15 1.292 -4.499 2.585 95 HB VAL 15 HB VAL 15 -0.706 -3.545 0.500 96 HG11 VAL 15 1HG1 VAL 15 0.029 -5.500 -0.827 97 HG12 VAL 15 2HG1 VAL 15 1.292 -5.826 0.360 98 HG13 VAL 15 3HG1 VAL 15 1.344 -4.347 -0.600 99 HG21 VAL 15 3HG2 VAL 15 -1.230 -5.077 2.658 100 HG22 VAL 15 1HG2 VAL 15 -0.642 -6.331 1.564 101 HG23 VAL 15 2HG2 VAL 15 -2.023 -5.334 1.106 102 H GLY 16 H GLY 16 0.514 -1.313 1.167 103 HA2 GLY 16 2HA GLY 16 2.875 -1.066 -0.446 104 HA3 GLY 16 1HA GLY 16 1.865 0.275 0.096 105 H LEU 17 H LEU 17 2.131 -0.057 2.901 106 HA LEU 17 HA LEU 17 4.630 1.290 3.400 107 HB2 LEU 17 2HB LEU 17 2.219 0.926 4.699 108 HB3 LEU 17 1HB LEU 17 3.324 -0.022 5.694 109 HG LEU 17 HG LEU 17 3.887 2.831 4.839 110 HD11 LEU 17 1HD1 LEU 17 3.237 3.445 7.156 111 HD12 LEU 17 2HD1 LEU 17 2.709 1.785 7.432 112 HD13 LEU 17 3HD1 LEU 17 1.878 2.789 6.243 113 HD21 LEU 17 3HD2 LEU 17 5.924 1.783 5.458 114 HD22 LEU 17 1HD2 LEU 17 5.156 0.861 6.751 115 HD23 LEU 17 2HD2 LEU 17 5.404 2.597 6.933 116 H VAL 18 H VAL 18 3.563 -2.087 3.996 117 HA VAL 18 HA VAL 18 5.913 -3.023 5.334 118 HB VAL 18 HB VAL 18 3.886 -4.372 3.509 119 HG11 VAL 18 1HG1 VAL 18 6.076 -5.643 3.680 120 HG12 VAL 18 2HG1 VAL 18 4.670 -6.509 4.297 121 HG13 VAL 18 3HG1 VAL 18 5.797 -5.748 5.419 122 HG21 VAL 18 3HG2 VAL 18 3.233 -3.314 5.786 123 HG22 VAL 18 1HG2 VAL 18 4.154 -4.633 6.506 124 HG23 VAL 18 2HG2 VAL 18 2.753 -4.984 5.496 125 H LEU 19 H LEU 19 5.133 -2.748 1.864 126 HA LEU 19 HA LEU 19 7.507 -4.016 0.833 127 HB2 LEU 19 2HB LEU 19 5.244 -3.390 -0.274 128 HB3 LEU 19 1HB LEU 19 5.947 -1.788 -0.486 129 HG LEU 19 HG LEU 19 7.961 -3.056 -1.543 130 HD11 LEU 19 1HD1 LEU 19 7.229 -5.180 -2.665 131 HD12 LEU 19 2HD1 LEU 19 5.761 -5.139 -1.687 132 HD13 LEU 19 3HD1 LEU 19 7.334 -5.313 -0.910 133 HD21 LEU 19 3HD2 LEU 19 6.506 -3.303 -3.728 134 HD22 LEU 19 1HD2 LEU 19 6.746 -1.708 -3.016 135 HD23 LEU 19 2HD2 LEU 19 5.240 -2.581 -2.736 136 H LEU 20 H LEU 20 6.715 -0.633 1.649 137 HA LEU 20 HA LEU 20 9.072 0.643 0.670 138 HB2 LEU 20 2HB LEU 20 6.820 1.554 1.602 139 HB3 LEU 20 1HB LEU 20 7.593 1.437 3.182 140 HG LEU 20 HG LEU 20 9.092 2.801 0.976 141 HD11 LEU 20 1HD1 LEU 20 6.932 4.161 2.611 142 HD12 LEU 20 2HD1 LEU 20 6.760 3.718 0.912 143 HD13 LEU 20 3HD1 LEU 20 7.968 4.909 1.395 144 HD21 LEU 20 3HD2 LEU 20 8.940 2.837 3.971 145 HD22 LEU 20 1HD2 LEU 20 9.498 4.290 3.144 146 HD23 LEU 20 2HD2 LEU 20 10.357 2.766 2.925 147 H THR 21 H THR 21 8.351 -0.770 3.886 148 HA THR 21 HA THR 21 10.925 -0.177 5.066 149 HB THR 21 HB THR 21 8.987 -2.385 5.806 150 HG1 THR 21 1HG THR 21 8.881 0.412 6.290 151 HG21 THR 21 3HG2 THR 21 9.777 -1.941 8.081 152 HG22 THR 21 1HG2 THR 21 10.817 -0.648 7.485 153 HG23 THR 21 2HG2 THR 21 11.141 -2.322 7.030 154 H LEU 22 H LEU 22 9.624 -2.966 3.282 155 HA LEU 22 HA LEU 22 11.697 -4.860 3.734 156 HB2 LEU 22 2HB LEU 22 9.436 -5.153 2.619 157 HB3 LEU 22 1HB LEU 22 10.126 -4.405 1.180 158 HG LEU 22 HG LEU 22 12.002 -6.232 1.482 159 HD11 LEU 22 1HD1 LEU 22 11.254 -7.113 3.618 160 HD12 LEU 22 2HD1 LEU 22 10.995 -8.350 2.389 161 HD13 LEU 22 3HD1 LEU 22 9.634 -7.397 2.979 162 HD21 LEU 22 3HD2 LEU 22 10.472 -7.847 0.184 163 HD22 LEU 22 1HD2 LEU 22 10.661 -6.228 -0.488 164 HD23 LEU 22 2HD2 LEU 22 9.202 -6.645 0.412 165 H SER 23 H SER 23 11.443 -2.238 1.309 166 HA SER 23 HA SER 23 14.020 -2.907 0.068 167 HB2 SER 23 2HB SER 23 11.786 -1.693 -0.817 168 HB3 SER 23 1HB SER 23 12.674 -0.264 -0.303 169 HG SER 23 HG SER 23 13.470 -0.566 -2.284 170 HA PRO 24 HA PRO 24 16.429 -0.539 2.948 171 HB2 PRO 24 2HB PRO 24 18.658 -0.100 1.422 172 HB3 PRO 24 1HB PRO 24 18.279 -1.671 2.156 173 HG2 PRO 24 2HG PRO 24 17.887 -0.755 -0.643 174 HG3 PRO 24 1HG PRO 24 18.406 -2.335 -0.030 175 HD2 PRO 24 2HD PRO 24 15.882 -1.824 -0.903 176 HD3 PRO 24 1HD PRO 24 16.268 -3.053 0.321 177 H HIS 25 H HIS 25 14.964 1.319 2.918 178 HA HIS 25 HA HIS 25 16.126 3.694 1.553 179 HB2 HIS 25 2HB HIS 25 14.294 2.427 0.193 180 HB3 HIS 25 1HB HIS 25 13.170 3.111 1.367 181 HD1 HIS 25 1HD HIS 25 13.246 5.807 1.584 182 HD2 HIS 25 2HD HIS 25 15.061 4.202 -1.808 183 HE1 HIS 25 1HE HIS 25 13.508 7.718 -0.061 184 H TYR 26 H TYR 26 16.501 3.503 4.168 185 HA TYR 26 HA TYR 26 14.390 5.228 5.426 186 HB2 TYR 26 2HB TYR 26 15.617 2.640 6.296 187 HB3 TYR 26 1HB TYR 26 15.247 3.828 7.542 188 HD1 TYR 26 1HD TYR 26 13.723 2.114 4.584 189 HD2 TYR 26 2HD TYR 26 13.053 4.008 8.380 190 HE1 TYR 26 1HE TYR 26 11.339 1.476 4.477 191 HE2 TYR 26 2HE TYR 26 10.660 3.362 8.272 192 HH TYR 26 HH TYR 26 8.999 2.804 6.113 193 H LYS 27 H LYS 27 15.253 7.066 6.310 194 HA LYS 27 HA LYS 27 18.171 7.459 6.289 195 HB2 LYS 27 2HB LYS 27 17.592 9.779 6.712 196 HB3 LYS 27 1HB LYS 27 16.519 9.143 5.473 197 HG2 LYS 27 2HG LYS 27 14.863 10.017 6.761 198 HG3 LYS 27 1HG LYS 27 15.097 8.580 7.755 199 HD2 LYS 27 2HD LYS 27 17.077 10.515 8.497 200 HD3 LYS 27 1HD LYS 27 15.503 11.310 8.487 201 HE2 LYS 27 2HE LYS 27 14.900 10.259 10.398 202 HE3 LYS 27 1HE LYS 27 15.291 8.674 9.704 203 HZ1 LYS 27 3HZ LYS 27 16.760 9.078 11.533 204 HZ2 LYS 27 1HZ LYS 27 17.203 10.596 10.926 205 HZ3 LYS 27 2HZ LYS 27 17.666 9.181 10.101 Start of MODEL 30 1 H1 MET 1 1HT MET 1 -14.700 -13.088 8.074 2 H2 MET 1 2HT MET 1 -13.562 -13.939 7.145 3 H3 MET 1 3HT MET 1 -15.044 -13.478 6.459 4 HA MET 1 HA MET 1 -12.957 -12.089 5.899 5 HB2 MET 1 2HB MET 1 -14.409 -10.106 5.760 6 HB3 MET 1 1HB MET 1 -15.303 -11.557 5.318 7 HG2 MET 1 2HG MET 1 -16.300 -11.643 7.571 8 HG3 MET 1 1HG MET 1 -15.371 -10.221 8.045 9 HE1 MET 1 2HE MET 1 -17.825 -9.243 8.800 10 HE2 MET 1 3HE MET 1 -18.104 -7.841 7.774 11 HE3 MET 1 1HE MET 1 -16.468 -8.223 8.334 12 H ASP 2 H ASP 2 -11.827 -10.161 6.633 13 HA ASP 2 HA ASP 2 -10.599 -8.878 8.148 14 HB2 ASP 2 2HB ASP 2 -13.078 -9.416 9.814 15 HB3 ASP 2 1HB ASP 2 -11.839 -8.238 10.231 16 H ARG 3 H ARG 3 -8.751 -9.957 8.756 17 HA ARG 3 HA ARG 3 -8.983 -12.070 10.872 18 HB2 ARG 3 2HB ARG 3 -8.192 -12.663 8.534 19 HB3 ARG 3 1HB ARG 3 -6.768 -11.670 8.849 20 HG2 ARG 3 2HG ARG 3 -7.255 -13.494 11.055 21 HG3 ARG 3 1HG ARG 3 -7.118 -14.376 9.534 22 HD2 ARG 3 2HD ARG 3 -4.961 -13.327 9.060 23 HD3 ARG 3 1HD ARG 3 -5.103 -12.319 10.515 24 HE ARG 3 HE ARG 3 -4.965 -15.310 10.614 25 HH11 ARG 3 1HH2 ARG 3 -5.871 -13.532 12.978 26 HH12 ARG 3 2HH2 ARG 3 -4.419 -13.479 13.919 27 HH21 ARG 3 1HH1 ARG 3 -2.413 -14.673 11.318 28 HH22 ARG 3 2HH1 ARG 3 -2.435 -14.138 12.964 29 H GLU 4 H GLU 4 -8.795 -10.619 12.668 30 HA GLU 4 HA GLU 4 -7.708 -9.231 14.237 31 HB2 GLU 4 2HB GLU 4 -5.583 -11.012 13.049 32 HB3 GLU 4 1HB GLU 4 -5.213 -9.909 14.372 33 HG2 GLU 4 2HG GLU 4 -7.464 -11.064 15.351 34 HG3 GLU 4 1HG GLU 4 -6.836 -12.397 14.385 35 H MET 5 H MET 5 -8.227 -7.775 11.958 36 HA MET 5 HA MET 5 -7.651 -5.800 10.841 37 HB2 MET 5 2HB MET 5 -6.328 -5.845 13.380 38 HB3 MET 5 1HB MET 5 -5.238 -5.104 12.214 39 HG2 MET 5 2HG MET 5 -8.138 -4.297 12.559 40 HG3 MET 5 1HG MET 5 -6.790 -3.471 13.336 41 HE1 MET 5 3HE MET 5 -4.910 -2.578 12.329 42 HE2 MET 5 1HE MET 5 -4.867 -1.705 10.788 43 HE3 MET 5 2HE MET 5 -4.446 -3.412 10.850 44 H ALA 6 H ALA 6 -6.680 -8.296 9.747 45 HA ALA 6 HA ALA 6 -3.898 -8.121 8.958 46 HB1 ALA 6 1HB ALA 6 -4.694 -9.834 7.244 47 HB2 ALA 6 2HB ALA 6 -6.314 -9.611 7.903 48 HB3 ALA 6 3HB ALA 6 -5.023 -10.237 8.929 49 H ALA 7 H ALA 7 -6.947 -7.132 7.359 50 HA ALA 7 HA ALA 7 -5.600 -5.061 5.829 51 HB1 ALA 7 1HB ALA 7 -6.338 -6.242 3.617 52 HB2 ALA 7 2HB ALA 7 -6.318 -7.709 4.598 53 HB3 ALA 7 3HB ALA 7 -4.845 -6.756 4.402 54 H SER 8 H SER 8 -7.391 -4.007 7.043 55 HA SER 8 HA SER 8 -9.990 -4.190 5.561 56 HB2 SER 8 2HB SER 8 -11.075 -3.777 7.795 57 HB3 SER 8 1HB SER 8 -10.224 -5.310 7.701 58 HG SER 8 HG SER 8 -9.883 -3.767 9.589 59 H ALA 9 H ALA 9 -10.410 -2.279 4.604 60 HA ALA 9 HA ALA 9 -10.574 0.009 4.170 61 HB1 ALA 9 1HB ALA 9 -9.763 0.479 7.049 62 HB2 ALA 9 2HB ALA 9 -11.368 -0.118 6.631 63 HB3 ALA 9 3HB ALA 9 -10.831 1.452 6.039 64 H GLY 10 H GLY 10 -7.905 -0.099 6.580 65 HA2 GLY 10 2HA GLY 10 -6.162 1.285 4.614 66 HA3 GLY 10 1HA GLY 10 -5.856 1.151 6.347 67 H GLY 11 H GLY 11 -6.892 -1.792 4.800 68 HA2 GLY 11 2HA GLY 11 -4.491 -3.191 5.497 69 HA3 GLY 11 1HA GLY 11 -5.774 -3.813 4.457 70 H ALA 12 H ALA 12 -5.787 -2.156 2.321 71 HA ALA 12 HA ALA 12 -3.620 -3.013 0.686 72 HB1 ALA 12 1HB ALA 12 -4.489 -1.254 -0.865 73 HB2 ALA 12 2HB ALA 12 -5.474 -0.619 0.453 74 HB3 ALA 12 3HB ALA 12 -5.779 -2.239 -0.176 75 H VAL 13 H VAL 13 -4.091 0.068 2.445 76 HA VAL 13 HA VAL 13 -1.733 1.420 1.535 77 HB VAL 13 HB VAL 13 -3.203 1.599 4.196 78 HG11 VAL 13 1HG1 VAL 13 -1.041 2.748 4.273 79 HG12 VAL 13 2HG1 VAL 13 -2.342 3.936 4.210 80 HG13 VAL 13 3HG1 VAL 13 -1.404 3.580 2.760 81 HG21 VAL 13 3HG2 VAL 13 -4.165 3.682 2.873 82 HG22 VAL 13 1HG2 VAL 13 -4.874 2.084 2.641 83 HG23 VAL 13 2HG2 VAL 13 -3.732 2.723 1.459 84 H PHE 14 H PHE 14 -2.311 -0.786 4.287 85 HA PHE 14 HA PHE 14 0.296 -0.621 5.473 86 HB2 PHE 14 2HB PHE 14 -2.085 -1.757 6.118 87 HB3 PHE 14 1HB PHE 14 -1.200 -3.189 5.589 88 HD1 PHE 14 1HD PHE 14 0.960 -3.805 6.681 89 HD2 PHE 14 2HD PHE 14 -1.503 -0.604 8.146 90 HE1 PHE 14 1HE PHE 14 2.192 -3.841 8.832 91 HE2 PHE 14 2HE PHE 14 -0.272 -0.639 10.295 92 HZ PHE 14 HZ PHE 14 1.578 -2.258 10.639 93 H VAL 15 H VAL 15 -1.033 -2.735 2.914 94 HA VAL 15 HA VAL 15 1.169 -4.539 2.640 95 HB VAL 15 HB VAL 15 -0.765 -3.414 0.572 96 HG11 VAL 15 1HG1 VAL 15 -0.284 -5.451 -0.715 97 HG12 VAL 15 2HG1 VAL 15 0.888 -5.959 0.503 98 HG13 VAL 15 3HG1 VAL 15 1.193 -4.518 -0.468 99 HG21 VAL 15 3HG2 VAL 15 -1.208 -6.146 1.499 100 HG22 VAL 15 1HG2 VAL 15 -2.335 -4.792 1.440 101 HG23 VAL 15 2HG2 VAL 15 -1.271 -4.994 2.831 102 H GLY 16 H GLY 16 0.522 -1.362 1.130 103 HA2 GLY 16 2HA GLY 16 2.909 -1.258 -0.468 104 HA3 GLY 16 1HA GLY 16 1.931 0.135 0.001 105 H LEU 17 H LEU 17 2.140 -0.234 2.852 106 HA LEU 17 HA LEU 17 4.585 1.165 3.429 107 HB2 LEU 17 2HB LEU 17 2.441 -0.220 5.036 108 HB3 LEU 17 1HB LEU 17 3.851 0.465 5.838 109 HG LEU 17 HG LEU 17 2.088 2.049 3.949 110 HD11 LEU 17 1HD1 LEU 17 2.043 2.117 6.978 111 HD12 LEU 17 2HD1 LEU 17 0.892 1.187 6.018 112 HD13 LEU 17 3HD1 LEU 17 0.950 2.943 5.866 113 HD21 LEU 17 3HD2 LEU 17 4.322 2.708 5.885 114 HD22 LEU 17 1HD2 LEU 17 3.188 3.937 5.327 115 HD23 LEU 17 2HD2 LEU 17 4.217 3.098 4.169 116 H VAL 18 H VAL 18 3.615 -2.256 3.848 117 HA VAL 18 HA VAL 18 5.965 -3.204 5.174 118 HB VAL 18 HB VAL 18 3.891 -4.445 3.343 119 HG11 VAL 18 1HG1 VAL 18 5.650 -5.963 3.007 120 HG12 VAL 18 2HG1 VAL 18 4.817 -6.649 4.401 121 HG13 VAL 18 3HG1 VAL 18 6.299 -5.720 4.629 122 HG21 VAL 18 3HG2 VAL 18 3.089 -5.436 5.443 123 HG22 VAL 18 1HG2 VAL 18 3.191 -3.683 5.601 124 HG23 VAL 18 2HG2 VAL 18 4.434 -4.705 6.320 125 H LEU 19 H LEU 19 5.193 -2.802 1.719 126 HA LEU 19 HA LEU 19 7.586 -3.984 0.634 127 HB2 LEU 19 2HB LEU 19 5.360 -3.413 -0.484 128 HB3 LEU 19 1HB LEU 19 5.902 -1.738 -0.517 129 HG LEU 19 HG LEU 19 7.832 -3.734 -1.574 130 HD11 LEU 19 1HD1 LEU 19 5.295 -2.999 -3.073 131 HD12 LEU 19 2HD1 LEU 19 5.696 -4.604 -2.457 132 HD13 LEU 19 3HD1 LEU 19 6.667 -3.885 -3.741 133 HD21 LEU 19 3HD2 LEU 19 7.517 -1.734 -3.425 134 HD22 LEU 19 1HD2 LEU 19 8.635 -1.652 -2.062 135 HD23 LEU 19 2HD2 LEU 19 7.042 -0.903 -1.944 136 H LEU 20 H LEU 20 6.715 -0.620 1.501 137 HA LEU 20 HA LEU 20 9.211 0.587 0.695 138 HB2 LEU 20 2HB LEU 20 6.759 1.490 1.356 139 HB3 LEU 20 1HB LEU 20 7.565 1.738 2.905 140 HG LEU 20 HG LEU 20 9.407 2.940 1.639 141 HD11 LEU 20 1HD1 LEU 20 7.389 2.570 -0.581 142 HD12 LEU 20 2HD1 LEU 20 9.109 2.182 -0.597 143 HD13 LEU 20 3HD1 LEU 20 8.585 3.866 -0.613 144 HD21 LEU 20 3HD2 LEU 20 6.648 4.166 1.327 145 HD22 LEU 20 1HD2 LEU 20 8.177 5.022 1.533 146 HD23 LEU 20 2HD2 LEU 20 7.510 4.078 2.864 147 H THR 21 H THR 21 8.063 -0.875 3.726 148 HA THR 21 HA THR 21 10.275 -0.022 5.386 149 HB THR 21 HB THR 21 8.224 -2.256 5.537 150 HG1 THR 21 1HG THR 21 7.230 -0.391 5.932 151 HG21 THR 21 3HG2 THR 21 8.916 -2.245 8.026 152 HG22 THR 21 1HG2 THR 21 10.413 -1.497 7.468 153 HG23 THR 21 2HG2 THR 21 9.962 -3.103 6.894 154 H LEU 22 H LEU 22 9.666 -2.895 3.354 155 HA LEU 22 HA LEU 22 11.912 -4.482 4.117 156 HB2 LEU 22 2HB LEU 22 9.940 -5.180 2.753 157 HB3 LEU 22 1HB LEU 22 10.552 -4.214 1.412 158 HG LEU 22 HG LEU 22 12.539 -6.074 2.548 159 HD11 LEU 22 1HD1 LEU 22 10.440 -7.409 2.775 160 HD12 LEU 22 2HD1 LEU 22 11.559 -8.090 1.594 161 HD13 LEU 22 3HD1 LEU 22 10.147 -7.184 1.050 162 HD21 LEU 22 3HD2 LEU 22 11.991 -4.705 0.119 163 HD22 LEU 22 1HD2 LEU 22 11.915 -6.428 -0.248 164 HD23 LEU 22 2HD2 LEU 22 13.370 -5.743 0.477 165 H SER 23 H SER 23 11.594 -2.011 1.531 166 HA SER 23 HA SER 23 14.378 -2.234 0.693 167 HB2 SER 23 2HB SER 23 13.560 0.137 -0.318 168 HB3 SER 23 1HB SER 23 13.114 -1.401 -1.033 169 HG SER 23 HG SER 23 11.613 0.129 0.853 170 HA PRO 24 HA PRO 24 16.203 0.493 3.648 171 HB2 PRO 24 2HB PRO 24 18.185 1.676 2.189 172 HB3 PRO 24 1HB PRO 24 18.240 -0.016 2.722 173 HG2 PRO 24 2HG PRO 24 17.586 1.101 0.056 174 HG3 PRO 24 1HG PRO 24 18.451 -0.384 0.483 175 HD2 PRO 24 2HD PRO 24 15.840 -0.297 -0.345 176 HD3 PRO 24 1HD PRO 24 16.543 -1.604 0.633 177 H HIS 25 H HIS 25 13.867 1.666 2.970 178 HA HIS 25 HA HIS 25 14.545 4.559 2.613 179 HB2 HIS 25 2HB HIS 25 13.429 3.018 0.662 180 HB3 HIS 25 1HB HIS 25 11.977 3.555 1.507 181 HD1 HIS 25 1HD HIS 25 14.814 4.788 -0.587 182 HD2 HIS 25 2HD HIS 25 11.528 6.388 1.421 183 HE1 HIS 25 1HE HIS 25 14.570 7.176 -1.400 184 H TYR 26 H TYR 26 13.825 2.703 4.976 185 HA TYR 26 HA TYR 26 11.466 4.257 5.979 186 HB2 TYR 26 2HB TYR 26 11.509 1.605 5.320 187 HB3 TYR 26 1HB TYR 26 11.967 1.529 7.020 188 HD1 TYR 26 1HD TYR 26 9.393 2.871 4.674 189 HD2 TYR 26 2HD TYR 26 10.366 1.861 8.737 190 HE1 TYR 26 1HE TYR 26 7.027 3.226 5.332 191 HE2 TYR 26 2HE TYR 26 8.002 2.214 9.389 192 HH TYR 26 HH TYR 26 5.592 2.096 7.716 193 H LYS 27 H LYS 27 11.414 4.219 8.438 194 HA LYS 27 HA LYS 27 14.179 4.539 9.533 195 HB2 LYS 27 2HB LYS 27 13.179 6.132 11.059 196 HB3 LYS 27 1HB LYS 27 12.651 6.513 9.425 197 HG2 LYS 27 2HG LYS 27 10.501 6.321 10.056 198 HG3 LYS 27 1HG LYS 27 10.777 4.656 10.562 199 HD2 LYS 27 2HD LYS 27 11.704 6.861 12.365 200 HD3 LYS 27 1HD LYS 27 9.981 6.498 12.304 201 HE2 LYS 27 2HE LYS 27 11.155 3.973 12.492 202 HE3 LYS 27 1HE LYS 27 12.138 4.977 13.575 203 HZ1 LYS 27 3HZ LYS 27 9.173 4.757 13.575 204 HZ2 LYS 27 1HZ LYS 27 10.049 5.857 14.523 205 HZ3 LYS 27 2HZ LYS 27 10.234 4.189 14.775 Start of MODEL 31 1 H1 MET 1 1HT MET 1 -6.391 -16.644 0.491 2 H2 MET 1 2HT MET 1 -7.760 -17.496 1.022 3 H3 MET 1 3HT MET 1 -7.774 -16.707 -0.485 4 HA MET 1 HA MET 1 -6.004 -19.008 0.206 5 HB2 MET 1 2HB MET 1 -8.768 -18.719 -0.853 6 HB3 MET 1 1HB MET 1 -7.741 -19.880 -1.690 7 HG2 MET 1 2HG MET 1 -8.459 -21.297 -0.054 8 HG3 MET 1 1HG MET 1 -7.180 -20.533 0.887 9 HE1 MET 1 2HE MET 1 -11.707 -19.901 1.121 10 HE2 MET 1 3HE MET 1 -10.841 -21.306 0.507 11 HE3 MET 1 1HE MET 1 -10.797 -19.772 -0.380 12 H ASP 2 H ASP 2 -5.070 -19.922 -1.821 13 HA ASP 2 HA ASP 2 -3.721 -19.687 -3.727 14 HB2 ASP 2 2HB ASP 2 -6.241 -18.160 -4.406 15 HB3 ASP 2 1HB ASP 2 -5.007 -18.563 -5.599 16 H ARG 3 H ARG 3 -3.041 -17.812 -1.675 17 HA ARG 3 HA ARG 3 -1.757 -15.887 -1.325 18 HB2 ARG 3 2HB ARG 3 -1.281 -16.785 -4.108 19 HB3 ARG 3 1HB ARG 3 -0.757 -15.142 -3.742 20 HG2 ARG 3 2HG ARG 3 -0.088 -17.290 -1.774 21 HG3 ARG 3 1HG ARG 3 0.828 -17.234 -3.280 22 HD2 ARG 3 2HD ARG 3 1.776 -15.163 -2.793 23 HD3 ARG 3 1HD ARG 3 0.434 -14.682 -1.737 24 HE ARG 3 HE ARG 3 1.366 -16.014 0.028 25 HH11 ARG 3 1HH2 ARG 3 3.920 -14.819 -1.084 26 HH12 ARG 3 2HH2 ARG 3 4.936 -16.215 -1.210 27 HH21 ARG 3 1HH1 ARG 3 2.295 -18.474 -0.935 28 HH22 ARG 3 2HH1 ARG 3 4.008 -18.305 -1.123 29 H GLU 4 H GLU 4 -4.739 -15.603 -2.319 30 HA GLU 4 HA GLU 4 -4.677 -12.912 -3.554 31 HB2 GLU 4 2HB GLU 4 -6.897 -14.790 -2.668 32 HB3 GLU 4 1HB GLU 4 -7.178 -13.242 -3.461 33 HG2 GLU 4 2HG GLU 4 -5.933 -13.987 -5.433 34 HG3 GLU 4 1HG GLU 4 -5.557 -15.519 -4.642 35 H MET 5 H MET 5 -6.068 -14.401 -0.601 36 HA MET 5 HA MET 5 -6.389 -11.768 0.696 37 HB2 MET 5 2HB MET 5 -7.084 -14.636 1.303 38 HB3 MET 5 1HB MET 5 -7.215 -13.405 2.557 39 HG2 MET 5 2HG MET 5 -9.059 -12.474 1.618 40 HG3 MET 5 1HG MET 5 -8.412 -12.611 -0.017 41 HE1 MET 5 3HE MET 5 -11.373 -12.965 0.475 42 HE2 MET 5 1HE MET 5 -11.767 -14.449 -0.410 43 HE3 MET 5 2HE MET 5 -10.647 -13.279 -1.099 44 H ALA 6 H ALA 6 -3.641 -13.415 0.199 45 HA ALA 6 HA ALA 6 -2.618 -13.510 2.978 46 HB1 ALA 6 1HB ALA 6 -2.108 -15.311 1.388 47 HB2 ALA 6 2HB ALA 6 -0.628 -14.455 1.815 48 HB3 ALA 6 3HB ALA 6 -1.410 -14.144 0.265 49 H ALA 7 H ALA 7 -1.886 -11.836 -0.112 50 HA ALA 7 HA ALA 7 -0.134 -9.899 1.320 51 HB1 ALA 7 1HB ALA 7 0.776 -10.938 -0.654 52 HB2 ALA 7 2HB ALA 7 0.416 -9.261 -1.061 53 HB3 ALA 7 3HB ALA 7 -0.668 -10.548 -1.588 54 H SER 8 H SER 8 -3.274 -10.074 -0.305 55 HA SER 8 HA SER 8 -3.552 -7.148 -0.505 56 HB2 SER 8 2HB SER 8 -5.683 -9.251 -0.899 57 HB3 SER 8 1HB SER 8 -5.580 -7.658 -1.631 58 HG SER 8 HG SER 8 -4.355 -10.043 -2.311 59 H ALA 9 H ALA 9 -3.375 -8.604 2.275 60 HA ALA 9 HA ALA 9 -6.035 -7.858 3.389 61 HB1 ALA 9 1HB ALA 9 -4.858 -9.004 5.438 62 HB2 ALA 9 2HB ALA 9 -3.702 -9.556 4.228 63 HB3 ALA 9 3HB ALA 9 -5.404 -9.993 4.086 64 H GLY 10 H GLY 10 -3.687 -5.898 2.634 65 HA2 GLY 10 2HA GLY 10 -3.286 -4.668 5.326 66 HA3 GLY 10 1HA GLY 10 -2.278 -4.356 3.920 67 H GLY 11 H GLY 11 -5.723 -4.418 3.394 68 HA2 GLY 11 2HA GLY 11 -7.216 -2.737 2.793 69 HA3 GLY 11 1HA GLY 11 -6.426 -1.764 4.027 70 H ALA 12 H ALA 12 -4.624 -2.957 1.234 71 HA ALA 12 HA ALA 12 -3.568 -1.848 -0.536 72 HB1 ALA 12 1HB ALA 12 -4.946 -0.405 -1.769 73 HB2 ALA 12 2HB ALA 12 -5.693 0.274 -0.324 74 HB3 ALA 12 3HB ALA 12 -6.111 -1.356 -0.849 75 H VAL 13 H VAL 13 -3.346 -0.809 2.482 76 HA VAL 13 HA VAL 13 -1.746 1.646 1.835 77 HB VAL 13 HB VAL 13 -3.515 0.969 4.223 78 HG11 VAL 13 1HG1 VAL 13 -1.792 3.416 3.699 79 HG12 VAL 13 2HG1 VAL 13 -1.524 2.210 4.957 80 HG13 VAL 13 3HG1 VAL 13 -2.942 3.255 5.025 81 HG21 VAL 13 3HG2 VAL 13 -3.733 2.986 1.968 82 HG22 VAL 13 1HG2 VAL 13 -4.687 3.104 3.447 83 HG23 VAL 13 2HG2 VAL 13 -4.874 1.709 2.387 84 H PHE 14 H PHE 14 -2.340 -0.810 4.360 85 HA PHE 14 HA PHE 14 0.223 -0.793 5.603 86 HB2 PHE 14 2HB PHE 14 -2.057 -1.805 6.295 87 HB3 PHE 14 1HB PHE 14 -1.618 -3.176 5.283 88 HD1 PHE 14 2HD PHE 14 -0.790 -1.293 8.347 89 HD2 PHE 14 1HD PHE 14 0.201 -4.682 5.899 90 HE1 PHE 14 2HE PHE 14 0.593 -2.217 10.185 91 HE2 PHE 14 1HE PHE 14 1.584 -5.606 7.739 92 HZ PHE 14 HZ PHE 14 1.780 -4.374 9.882 93 H VAL 15 H VAL 15 -1.053 -2.650 2.836 94 HA VAL 15 HA VAL 15 1.111 -4.466 2.432 95 HB VAL 15 HB VAL 15 -0.765 -3.135 0.432 96 HG11 VAL 15 1HG1 VAL 15 0.719 -4.202 -0.977 97 HG12 VAL 15 2HG1 VAL 15 -0.337 -5.565 -0.607 98 HG13 VAL 15 3HG1 VAL 15 1.199 -5.383 0.241 99 HG21 VAL 15 3HG2 VAL 15 -1.023 -5.488 2.295 100 HG22 VAL 15 1HG2 VAL 15 -1.896 -5.484 0.763 101 HG23 VAL 15 2HG2 VAL 15 -2.189 -4.211 1.947 102 H GLY 16 H GLY 16 0.546 -1.195 1.079 103 HA2 GLY 16 2HA GLY 16 2.931 -1.060 -0.492 104 HA3 GLY 16 1HA GLY 16 1.999 0.330 0.062 105 H LEU 17 H LEU 17 2.245 -0.127 2.887 106 HA LEU 17 HA LEU 17 4.801 1.109 3.410 107 HB2 LEU 17 2HB LEU 17 2.463 1.080 4.672 108 HB3 LEU 17 1HB LEU 17 3.204 -0.265 5.540 109 HG LEU 17 HG LEU 17 5.257 1.384 5.737 110 HD11 LEU 17 1HD1 LEU 17 2.992 3.380 5.669 111 HD12 LEU 17 2HD1 LEU 17 3.982 3.061 4.246 112 HD13 LEU 17 3HD1 LEU 17 4.726 3.692 5.713 113 HD21 LEU 17 3HD2 LEU 17 2.691 1.599 7.344 114 HD22 LEU 17 1HD2 LEU 17 4.234 2.282 7.859 115 HD23 LEU 17 2HD2 LEU 17 4.061 0.537 7.671 116 H VAL 18 H VAL 18 3.612 -2.254 3.861 117 HA VAL 18 HA VAL 18 5.894 -3.299 5.232 118 HB VAL 18 HB VAL 18 3.848 -4.487 3.327 119 HG11 VAL 18 1HG1 VAL 18 5.646 -6.017 3.119 120 HG12 VAL 18 2HG1 VAL 18 4.639 -6.706 4.391 121 HG13 VAL 18 3HG1 VAL 18 6.111 -5.829 4.811 122 HG21 VAL 18 3HG2 VAL 18 2.819 -5.329 5.336 123 HG22 VAL 18 1HG2 VAL 18 3.171 -3.624 5.622 124 HG23 VAL 18 2HG2 VAL 18 4.213 -4.867 6.312 125 H LEU 19 H LEU 19 5.184 -2.960 1.759 126 HA LEU 19 HA LEU 19 7.632 -4.150 0.769 127 HB2 LEU 19 2HB LEU 19 5.363 -3.743 -0.374 128 HB3 LEU 19 1HB LEU 19 5.880 -2.070 -0.566 129 HG LEU 19 HG LEU 19 7.875 -4.075 -1.427 130 HD11 LEU 19 1HD1 LEU 19 5.674 -5.104 -2.114 131 HD12 LEU 19 2HD1 LEU 19 6.735 -4.695 -3.461 132 HD13 LEU 19 3HD1 LEU 19 5.365 -3.656 -3.073 133 HD21 LEU 19 3HD2 LEU 19 8.132 -2.485 -3.263 134 HD22 LEU 19 1HD2 LEU 19 8.049 -1.593 -1.745 135 HD23 LEU 19 2HD2 LEU 19 6.640 -1.665 -2.804 136 H LEU 20 H LEU 20 6.614 -0.858 1.609 137 HA LEU 20 HA LEU 20 8.924 0.558 0.611 138 HB2 LEU 20 2HB LEU 20 6.461 1.040 2.102 139 HB3 LEU 20 1HB LEU 20 7.790 2.007 2.728 140 HG LEU 20 HG LEU 20 7.278 1.847 -0.237 141 HD11 LEU 20 1HD1 LEU 20 5.167 2.598 0.482 142 HD12 LEU 20 2HD1 LEU 20 6.052 4.098 0.200 143 HD13 LEU 20 3HD1 LEU 20 5.845 3.492 1.843 144 HD21 LEU 20 3HD2 LEU 20 8.338 4.120 -0.105 145 HD22 LEU 20 1HD2 LEU 20 9.392 2.832 0.475 146 HD23 LEU 20 2HD2 LEU 20 8.558 3.874 1.628 147 H THR 21 H THR 21 8.056 -0.734 3.840 148 HA THR 21 HA THR 21 10.435 0.253 5.174 149 HB THR 21 HB THR 21 8.567 -2.015 5.937 150 HG1 THR 21 1HG THR 21 7.207 -0.380 5.865 151 HG21 THR 21 3HG2 THR 21 10.410 -0.230 7.544 152 HG22 THR 21 1HG2 THR 21 10.536 -1.978 7.341 153 HG23 THR 21 2HG2 THR 21 9.194 -1.289 8.256 154 H LEU 22 H LEU 22 9.888 -2.515 3.110 155 HA LEU 22 HA LEU 22 11.986 -4.208 4.208 156 HB2 LEU 22 2HB LEU 22 9.886 -4.368 2.313 157 HB3 LEU 22 1HB LEU 22 11.373 -4.737 1.442 158 HG LEU 22 HG LEU 22 11.786 -6.166 3.717 159 HD11 LEU 22 1HD1 LEU 22 8.800 -6.250 3.177 160 HD12 LEU 22 2HD1 LEU 22 9.567 -5.602 4.627 161 HD13 LEU 22 3HD1 LEU 22 9.673 -7.326 4.268 162 HD21 LEU 22 3HD2 LEU 22 10.946 -8.135 2.382 163 HD22 LEU 22 1HD2 LEU 22 12.034 -7.077 1.483 164 HD23 LEU 22 2HD2 LEU 22 10.294 -6.994 1.206 165 H SER 23 H SER 23 12.033 -1.435 2.102 166 HA SER 23 HA SER 23 13.738 -0.396 0.889 167 HB2 SER 23 2HB SER 23 15.376 -2.129 2.766 168 HB3 SER 23 1HB SER 23 16.025 -0.806 1.809 169 HG SER 23 HG SER 23 14.917 0.618 3.021 170 HA PRO 24 HA PRO 24 14.136 -4.204 -1.786 171 HB2 PRO 24 2HB PRO 24 12.814 -3.162 -3.945 172 HB3 PRO 24 1HB PRO 24 11.989 -4.016 -2.624 173 HG2 PRO 24 2HG PRO 24 12.254 -1.090 -3.101 174 HG3 PRO 24 1HG PRO 24 10.856 -2.022 -2.532 175 HD2 PRO 24 2HD PRO 24 12.431 -0.590 -0.866 176 HD3 PRO 24 1HD PRO 24 11.599 -2.080 -0.364 177 H HIS 25 H HIS 25 16.311 -4.026 -2.256 178 HA HIS 25 HA HIS 25 17.169 -1.834 -4.123 179 HB2 HIS 25 2HB HIS 25 18.520 -3.064 -1.713 180 HB3 HIS 25 1HB HIS 25 19.389 -2.075 -2.884 181 HD1 HIS 25 1HD HIS 25 17.470 0.198 -3.420 182 HD2 HIS 25 2HD HIS 25 18.042 -1.365 0.402 183 HE1 HIS 25 1HE HIS 25 16.755 2.001 -1.796 184 H TYR 26 H TYR 26 17.855 -5.190 -3.047 185 HA TYR 26 HA TYR 26 18.787 -7.022 -4.169 186 HB2 TYR 26 2HB TYR 26 17.788 -5.426 -6.558 187 HB3 TYR 26 1HB TYR 26 18.229 -7.128 -6.588 188 HD1 TYR 26 1HD TYR 26 16.899 -8.788 -5.245 189 HD2 TYR 26 2HD TYR 26 15.674 -4.694 -5.696 190 HE1 TYR 26 1HE TYR 26 14.610 -9.390 -4.506 191 HE2 TYR 26 2HE TYR 26 13.387 -5.297 -4.956 192 HH TYR 26 HH TYR 26 12.084 -8.014 -5.044 193 H LYS 27 H LYS 27 20.824 -5.696 -3.323 194 HA LYS 27 HA LYS 27 22.653 -5.244 -5.661 195 HB2 LYS 27 2HB LYS 27 22.233 -3.698 -3.101 196 HB3 LYS 27 1HB LYS 27 23.739 -3.569 -4.006 197 HG2 LYS 27 2HG LYS 27 22.640 -2.697 -5.928 198 HG3 LYS 27 1HG LYS 27 21.049 -3.159 -5.323 199 HD2 LYS 27 2HD LYS 27 21.500 -1.567 -3.362 200 HD3 LYS 27 1HD LYS 27 22.849 -0.949 -4.317 201 HE2 LYS 27 2HE LYS 27 21.286 -0.421 -6.178 202 HE3 LYS 27 1HE LYS 27 19.932 -0.987 -5.181 203 HZ1 LYS 27 3HZ LYS 27 20.653 0.614 -3.453 204 HZ2 LYS 27 1HZ LYS 27 20.137 1.363 -4.882 205 HZ3 LYS 27 2HZ LYS 27 21.799 1.243 -4.544 Start of MODEL 32 1 H1 MET 1 1HT MET 1 -3.279 3.883 15.858 2 H2 MET 1 2HT MET 1 -3.144 3.579 14.193 3 H3 MET 1 3HT MET 1 -1.882 4.353 15.018 4 HA MET 1 HA MET 1 -2.001 1.691 14.473 5 HB2 MET 1 2HB MET 1 -0.136 3.331 15.231 6 HB3 MET 1 1HB MET 1 -0.569 2.848 16.871 7 HG2 MET 1 2HG MET 1 -0.012 0.566 16.454 8 HG3 MET 1 1HG MET 1 0.076 0.831 14.713 9 HE1 MET 1 2HE MET 1 1.635 2.029 18.172 10 HE2 MET 1 3HE MET 1 3.242 1.377 17.873 11 HE3 MET 1 1HE MET 1 1.822 0.319 17.799 12 H ASP 2 H ASP 2 -4.192 0.986 15.143 13 HA ASP 2 HA ASP 2 -4.160 -0.276 17.799 14 HB2 ASP 2 2HB ASP 2 -4.961 2.067 18.150 15 HB3 ASP 2 1HB ASP 2 -6.289 1.760 17.036 16 H ARG 3 H ARG 3 -7.117 0.457 15.945 17 HA ARG 3 HA ARG 3 -7.648 -2.410 15.589 18 HB2 ARG 3 2HB ARG 3 -9.069 0.170 14.885 19 HB3 ARG 3 1HB ARG 3 -9.716 -1.409 14.439 20 HG2 ARG 3 2HG ARG 3 -9.011 -1.664 17.144 21 HG3 ARG 3 1HG ARG 3 -9.763 -0.075 17.021 22 HD2 ARG 3 2HD ARG 3 -11.763 -1.035 16.004 23 HD3 ARG 3 1HD ARG 3 -11.004 -2.641 15.957 24 HE ARG 3 HE ARG 3 -10.916 -2.563 18.456 25 HH11 ARG 3 1HH2 ARG 3 -13.786 -2.729 17.852 26 HH12 ARG 3 2HH2 ARG 3 -14.456 -1.388 18.718 27 HH21 ARG 3 1HH1 ARG 3 -11.384 0.216 19.110 28 HH22 ARG 3 2HH1 ARG 3 -13.081 0.298 19.438 29 H GLU 4 H GLU 4 -6.603 0.310 13.598 30 HA GLU 4 HA GLU 4 -6.987 -0.657 10.982 31 HB2 GLU 4 2HB GLU 4 -5.004 0.836 10.473 32 HB3 GLU 4 1HB GLU 4 -6.300 1.596 11.392 33 HG2 GLU 4 2HG GLU 4 -4.994 1.883 13.229 34 HG3 GLU 4 1HG GLU 4 -4.260 0.291 13.074 35 H MET 5 H MET 5 -4.508 -1.658 13.322 36 HA MET 5 HA MET 5 -2.667 -2.880 11.489 37 HB2 MET 5 2HB MET 5 -3.363 -3.136 14.404 38 HB3 MET 5 1HB MET 5 -2.248 -4.296 13.683 39 HG2 MET 5 2HG MET 5 -1.551 -1.625 12.833 40 HG3 MET 5 1HG MET 5 -1.645 -1.688 14.593 41 HE1 MET 5 3HE MET 5 0.926 -0.909 13.935 42 HE2 MET 5 1HE MET 5 0.892 -1.460 12.251 43 HE3 MET 5 2HE MET 5 2.151 -2.025 13.342 44 H ALA 6 H ALA 6 -5.632 -4.068 13.053 45 HA ALA 6 HA ALA 6 -5.373 -6.827 12.171 46 HB1 ALA 6 1HB ALA 6 -7.881 -5.283 12.907 47 HB2 ALA 6 2HB ALA 6 -6.745 -5.893 14.110 48 HB3 ALA 6 3HB ALA 6 -7.609 -7.019 13.063 49 H ALA 7 H ALA 7 -7.074 -3.929 10.955 50 HA ALA 7 HA ALA 7 -8.193 -5.318 8.619 51 HB1 ALA 7 1HB ALA 7 -8.960 -2.999 8.089 52 HB2 ALA 7 2HB ALA 7 -8.021 -2.407 9.458 53 HB3 ALA 7 3HB ALA 7 -9.382 -3.498 9.726 54 H SER 8 H SER 8 -5.116 -4.009 9.356 55 HA SER 8 HA SER 8 -3.231 -3.504 8.105 56 HB2 SER 8 2HB SER 8 -4.797 -5.075 6.033 57 HB3 SER 8 1HB SER 8 -3.069 -4.748 5.974 58 HG SER 8 HG SER 8 -2.971 -6.539 7.118 59 H ALA 9 H ALA 9 -4.679 -1.318 8.313 60 HA ALA 9 HA ALA 9 -5.409 0.700 7.341 61 HB1 ALA 9 1HB ALA 9 -3.593 1.664 6.253 62 HB2 ALA 9 2HB ALA 9 -3.236 0.203 5.338 63 HB3 ALA 9 3HB ALA 9 -2.829 0.289 7.049 64 H GLY 10 H GLY 10 -7.288 -0.905 6.496 65 HA2 GLY 10 2HA GLY 10 -8.936 -1.061 4.825 66 HA3 GLY 10 1HA GLY 10 -7.956 0.006 3.822 67 H GLY 11 H GLY 11 -6.423 -2.858 5.084 68 HA2 GLY 11 2HA GLY 11 -5.535 -4.728 4.042 69 HA3 GLY 11 1HA GLY 11 -7.050 -4.797 3.142 70 H ALA 12 H ALA 12 -4.671 -2.152 3.013 71 HA ALA 12 HA ALA 12 -3.553 -3.025 0.442 72 HB1 ALA 12 1HB ALA 12 -5.714 -2.244 -0.303 73 HB2 ALA 12 2HB ALA 12 -4.529 -1.015 -0.746 74 HB3 ALA 12 3HB ALA 12 -5.570 -0.771 0.656 75 H VAL 13 H VAL 13 -4.200 0.048 2.204 76 HA VAL 13 HA VAL 13 -1.779 1.379 1.584 77 HB VAL 13 HB VAL 13 -3.576 1.510 4.027 78 HG11 VAL 13 1HG1 VAL 13 -1.369 2.546 4.480 79 HG12 VAL 13 2HG1 VAL 13 -2.653 3.751 4.397 80 HG13 VAL 13 3HG1 VAL 13 -1.553 3.539 3.035 81 HG21 VAL 13 3HG2 VAL 13 -3.530 3.569 1.860 82 HG22 VAL 13 1HG2 VAL 13 -4.877 3.012 2.852 83 HG23 VAL 13 2HG2 VAL 13 -4.310 2.029 1.503 84 H PHE 14 H PHE 14 -2.417 -1.079 4.060 85 HA PHE 14 HA PHE 14 0.055 -0.743 5.542 86 HB2 PHE 14 2HB PHE 14 -2.258 -1.951 6.018 87 HB3 PHE 14 1HB PHE 14 -1.435 -3.344 5.327 88 HD1 PHE 14 2HD PHE 14 0.709 -4.159 6.373 89 HD2 PHE 14 1HD PHE 14 -1.736 -1.134 8.195 90 HE1 PHE 14 2HE PHE 14 1.862 -4.530 8.537 91 HE2 PHE 14 1HE PHE 14 -0.586 -1.505 10.358 92 HZ PHE 14 HZ PHE 14 1.214 -3.202 10.530 93 H VAL 15 H VAL 15 -0.994 -2.908 2.897 94 HA VAL 15 HA VAL 15 1.341 -4.522 2.654 95 HB VAL 15 HB VAL 15 -0.537 -3.525 0.476 96 HG11 VAL 15 1HG1 VAL 15 1.235 -5.982 0.661 97 HG12 VAL 15 2HG1 VAL 15 1.426 -4.629 -0.456 98 HG13 VAL 15 3HG1 VAL 15 0.036 -5.705 -0.602 99 HG21 VAL 15 3HG2 VAL 15 -1.574 -5.880 0.980 100 HG22 VAL 15 1HG2 VAL 15 -1.986 -4.527 2.031 101 HG23 VAL 15 2HG2 VAL 15 -0.778 -5.705 2.544 102 H GLY 16 H GLY 16 0.516 -1.391 1.116 103 HA2 GLY 16 2HA GLY 16 2.888 -1.129 -0.461 104 HA3 GLY 16 1HA GLY 16 1.861 0.209 0.055 105 H LEU 17 H LEU 17 2.136 -0.150 2.885 106 HA LEU 17 HA LEU 17 4.579 1.290 3.397 107 HB2 LEU 17 2HB LEU 17 2.187 0.791 4.692 108 HB3 LEU 17 1HB LEU 17 3.329 -0.135 5.656 109 HG LEU 17 HG LEU 17 3.120 2.122 6.558 110 HD11 LEU 17 1HD1 LEU 17 5.776 1.981 5.120 111 HD12 LEU 17 2HD1 LEU 17 5.379 0.943 6.490 112 HD13 LEU 17 3HD1 LEU 17 5.432 2.694 6.695 113 HD21 LEU 17 3HD2 LEU 17 4.115 3.096 3.862 114 HD22 LEU 17 1HD2 LEU 17 3.695 4.092 5.254 115 HD23 LEU 17 2HD2 LEU 17 2.438 3.198 4.399 116 H VAL 18 H VAL 18 3.656 -2.141 3.888 117 HA VAL 18 HA VAL 18 6.071 -2.982 5.198 118 HB VAL 18 HB VAL 18 4.030 -4.416 3.463 119 HG11 VAL 18 1HG1 VAL 18 6.458 -5.443 4.916 120 HG12 VAL 18 2HG1 VAL 18 5.841 -5.892 3.325 121 HG13 VAL 18 3HG1 VAL 18 5.023 -6.460 4.780 122 HG21 VAL 18 3HG2 VAL 18 4.483 -4.393 6.467 123 HG22 VAL 18 1HG2 VAL 18 3.186 -5.233 5.619 124 HG23 VAL 18 2HG2 VAL 18 3.234 -3.472 5.631 125 H LEU 19 H LEU 19 5.151 -2.782 1.757 126 HA LEU 19 HA LEU 19 7.462 -4.001 0.599 127 HB2 LEU 19 2HB LEU 19 5.276 -3.400 -0.500 128 HB3 LEU 19 1HB LEU 19 5.771 -1.709 -0.458 129 HG LEU 19 HG LEU 19 7.861 -3.398 -1.590 130 HD11 LEU 19 1HD1 LEU 19 5.261 -3.270 -3.141 131 HD12 LEU 19 2HD1 LEU 19 5.787 -4.700 -2.253 132 HD13 LEU 19 3HD1 LEU 19 6.748 -4.098 -3.604 133 HD21 LEU 19 3HD2 LEU 19 6.235 -1.178 -2.866 134 HD22 LEU 19 1HD2 LEU 19 7.875 -1.681 -3.278 135 HD23 LEU 19 2HD2 LEU 19 7.560 -0.876 -1.741 136 H LEU 20 H LEU 20 6.787 -0.633 1.559 137 HA LEU 20 HA LEU 20 9.271 0.516 0.620 138 HB2 LEU 20 2HB LEU 20 6.972 1.567 1.291 139 HB3 LEU 20 1HB LEU 20 7.605 1.515 2.934 140 HG LEU 20 HG LEU 20 9.416 2.660 0.866 141 HD11 LEU 20 1HD1 LEU 20 6.926 4.075 1.865 142 HD12 LEU 20 2HD1 LEU 20 7.313 3.681 0.190 143 HD13 LEU 20 3HD1 LEU 20 8.273 4.877 1.059 144 HD21 LEU 20 3HD2 LEU 20 10.102 4.044 2.691 145 HD22 LEU 20 1HD2 LEU 20 9.833 2.448 3.391 146 HD23 LEU 20 2HD2 LEU 20 8.624 3.716 3.593 147 H THR 21 H THR 21 8.154 -0.678 3.796 148 HA THR 21 HA THR 21 10.652 -0.136 5.186 149 HB THR 21 HB THR 21 8.319 -1.935 5.915 150 HG1 THR 21 1HG THR 21 7.378 -0.030 5.770 151 HG21 THR 21 3HG2 THR 21 10.066 -2.387 7.443 152 HG22 THR 21 1HG2 THR 21 9.069 -1.185 8.260 153 HG23 THR 21 2HG2 THR 21 10.578 -0.701 7.487 154 H LEU 22 H LEU 22 9.719 -2.693 3.040 155 HA LEU 22 HA LEU 22 11.659 -4.596 4.267 156 HB2 LEU 22 2HB LEU 22 9.251 -5.187 3.656 157 HB3 LEU 22 1HB LEU 22 9.736 -5.034 1.968 158 HG LEU 22 HG LEU 22 11.714 -6.648 3.156 159 HD11 LEU 22 1HD1 LEU 22 8.929 -7.510 3.993 160 HD12 LEU 22 2HD1 LEU 22 10.218 -6.995 5.081 161 HD13 LEU 22 3HD1 LEU 22 10.393 -8.482 4.150 162 HD21 LEU 22 3HD2 LEU 22 10.913 -8.303 1.609 163 HD22 LEU 22 1HD2 LEU 22 10.634 -6.735 0.851 164 HD23 LEU 22 2HD2 LEU 22 9.294 -7.603 1.601 165 H SER 23 H SER 23 12.893 -2.394 3.118 166 HA SER 23 HA SER 23 14.606 -1.812 1.642 167 HB2 SER 23 2HB SER 23 14.795 -4.524 2.134 168 HB3 SER 23 1HB SER 23 14.812 -4.453 0.379 169 HG SER 23 HG SER 23 16.627 -3.481 2.258 170 HA PRO 24 HA PRO 24 11.809 -1.249 -1.917 171 HB2 PRO 24 2HB PRO 24 12.697 1.259 -2.539 172 HB3 PRO 24 1HB PRO 24 11.491 0.947 -1.274 173 HG2 PRO 24 2HG PRO 24 14.394 1.510 -1.015 174 HG3 PRO 24 1HG PRO 24 13.043 2.036 0.002 175 HD2 PRO 24 2HD PRO 24 14.732 0.002 0.668 176 HD3 PRO 24 1HD PRO 24 13.055 0.125 1.243 177 H HIS 25 H HIS 25 12.504 -0.359 -4.270 178 HA HIS 25 HA HIS 25 15.334 -1.052 -4.897 179 HB2 HIS 25 2HB HIS 25 14.530 -2.631 -6.658 180 HB3 HIS 25 1HB HIS 25 14.108 -3.146 -5.029 181 HD1 HIS 25 1HD HIS 25 11.594 -3.024 -4.351 182 HD2 HIS 25 2HD HIS 25 12.321 -1.900 -8.297 183 HE1 HIS 25 1HE HIS 25 9.339 -2.937 -5.495 184 H TYR 26 H TYR 26 14.085 1.536 -4.988 185 HA TYR 26 HA TYR 26 13.357 2.112 -7.785 186 HB2 TYR 26 2HB TYR 26 13.728 3.719 -5.245 187 HB3 TYR 26 1HB TYR 26 13.420 4.502 -6.795 188 HD1 TYR 26 1HD TYR 26 12.032 2.261 -4.210 189 HD2 TYR 26 2HD TYR 26 11.269 4.296 -7.916 190 HE1 TYR 26 1HE TYR 26 9.613 1.785 -3.972 191 HE2 TYR 26 2HE TYR 26 8.848 3.820 -7.676 192 HH TYR 26 HH TYR 26 7.520 1.741 -6.217 193 H LYS 27 H LYS 27 14.975 2.187 -9.289 194 HA LYS 27 HA LYS 27 17.349 3.869 -8.845 195 HB2 LYS 27 2HB LYS 27 17.811 1.656 -7.746 196 HB3 LYS 27 1HB LYS 27 17.616 0.884 -9.318 197 HG2 LYS 27 2HG LYS 27 19.462 3.161 -9.398 198 HG3 LYS 27 1HG LYS 27 19.993 1.891 -8.297 199 HD2 LYS 27 2HD LYS 27 19.149 1.412 -11.170 200 HD3 LYS 27 1HD LYS 27 20.823 1.584 -10.648 201 HE2 LYS 27 2HE LYS 27 19.030 -0.466 -9.337 202 HE3 LYS 27 1HE LYS 27 19.855 -0.831 -10.864 203 HZ1 LYS 27 3HZ LYS 27 21.227 0.246 -8.456 204 HZ2 LYS 27 1HZ LYS 27 21.957 -0.296 -9.889 205 HZ3 LYS 27 2HZ LYS 27 21.178 -1.403 -8.864 Start of MODEL 33 1 H1 MET 1 1HT MET 1 -8.806 12.839 14.180 2 H2 MET 1 2HT MET 1 -10.459 12.903 13.798 3 H3 MET 1 3HT MET 1 -9.317 12.520 12.597 4 HA MET 1 HA MET 1 -9.942 10.855 14.986 5 HB2 MET 1 2HB MET 1 -11.575 11.227 12.927 6 HB3 MET 1 1HB MET 1 -10.468 10.113 12.125 7 HG2 MET 1 2HG MET 1 -12.096 8.691 13.065 8 HG3 MET 1 1HG MET 1 -10.770 8.622 14.225 9 HE1 MET 1 2HE MET 1 -12.091 7.712 15.964 10 HE2 MET 1 3HE MET 1 -12.883 8.727 17.166 11 HE3 MET 1 1HE MET 1 -11.175 8.984 16.765 12 H ASP 2 H ASP 2 -8.010 9.990 15.561 13 HA ASP 2 HA ASP 2 -5.763 9.616 13.762 14 HB2 ASP 2 2HB ASP 2 -4.732 8.633 15.755 15 HB3 ASP 2 1HB ASP 2 -5.621 10.085 16.205 16 H ARG 3 H ARG 3 -4.756 7.434 13.392 17 HA ARG 3 HA ARG 3 -6.420 5.049 13.618 18 HB2 ARG 3 2HB ARG 3 -6.385 4.822 11.002 19 HB3 ARG 3 1HB ARG 3 -7.605 5.833 11.762 20 HG2 ARG 3 2HG ARG 3 -6.687 7.784 10.969 21 HG3 ARG 3 1HG ARG 3 -5.037 7.165 11.040 22 HD2 ARG 3 2HD ARG 3 -5.458 5.772 9.042 23 HD3 ARG 3 1HD ARG 3 -7.118 6.397 8.959 24 HE ARG 3 HE ARG 3 -4.768 8.249 8.852 25 HH11 ARG 3 1HH2 ARG 3 -5.450 7.314 6.174 26 HH12 ARG 3 2HH2 ARG 3 -6.673 8.421 5.648 27 HH21 ARG 3 1HH1 ARG 3 -7.361 9.572 8.868 28 HH22 ARG 3 2HH1 ARG 3 -7.767 9.713 7.191 29 H GLU 4 H GLU 4 -4.324 5.117 10.822 30 HA GLU 4 HA GLU 4 -2.233 4.169 10.405 31 HB2 GLU 4 2HB GLU 4 -1.994 5.862 12.577 32 HB3 GLU 4 1HB GLU 4 -1.280 4.365 13.175 33 HG2 GLU 4 2HG GLU 4 0.365 4.327 11.490 34 HG3 GLU 4 1HG GLU 4 -0.532 5.445 10.461 35 H MET 5 H MET 5 -4.467 2.443 11.309 36 HA MET 5 HA MET 5 -2.989 -0.012 11.714 37 HB2 MET 5 2HB MET 5 -3.992 -0.534 13.961 38 HB3 MET 5 1HB MET 5 -2.821 0.774 13.987 39 HG2 MET 5 2HG MET 5 -5.007 2.266 13.643 40 HG3 MET 5 1HG MET 5 -5.786 0.868 14.381 41 HE1 MET 5 3HE MET 5 -4.072 0.456 17.766 42 HE2 MET 5 1HE MET 5 -4.072 -0.418 16.224 43 HE3 MET 5 2HE MET 5 -5.580 0.193 16.897 44 H ALA 6 H ALA 6 -6.239 1.488 12.108 45 HA ALA 6 HA ALA 6 -7.546 -1.009 11.186 46 HB1 ALA 6 1HB ALA 6 -8.618 0.064 13.008 47 HB2 ALA 6 2HB ALA 6 -9.596 0.513 11.611 48 HB3 ALA 6 3HB ALA 6 -8.437 1.662 12.283 49 H ALA 7 H ALA 7 -7.522 2.454 10.215 50 HA ALA 7 HA ALA 7 -8.879 2.088 7.710 51 HB1 ALA 7 1HB ALA 7 -6.917 4.208 8.635 52 HB2 ALA 7 2HB ALA 7 -8.659 4.229 8.908 53 HB3 ALA 7 3HB ALA 7 -8.021 4.368 7.270 54 H SER 8 H SER 8 -5.439 1.909 8.592 55 HA SER 8 HA SER 8 -4.459 1.801 5.845 56 HB2 SER 8 2HB SER 8 -2.335 1.191 7.020 57 HB3 SER 8 1HB SER 8 -3.091 2.637 7.677 58 HG SER 8 HG SER 8 -2.601 1.351 9.407 59 H ALA 9 H ALA 9 -5.788 -0.585 8.046 60 HA ALA 9 HA ALA 9 -4.509 -2.888 6.778 61 HB1 ALA 9 1HB ALA 9 -6.844 -2.545 8.682 62 HB2 ALA 9 2HB ALA 9 -5.176 -2.918 9.115 63 HB3 ALA 9 3HB ALA 9 -6.146 -4.104 8.244 64 H GLY 10 H GLY 10 -5.658 -1.362 4.718 65 HA2 GLY 10 2HA GLY 10 -8.210 -2.694 4.005 66 HA3 GLY 10 1HA GLY 10 -7.544 -1.262 3.224 67 H GLY 11 H GLY 11 -4.938 -3.317 3.560 68 HA2 GLY 11 2HA GLY 11 -4.122 -5.114 2.203 69 HA3 GLY 11 1HA GLY 11 -5.531 -4.947 1.164 70 H ALA 12 H ALA 12 -4.560 -1.825 1.484 71 HA ALA 12 HA ALA 12 -2.629 -2.003 -0.812 72 HB1 ALA 12 1HB ALA 12 -3.736 0.179 -1.502 73 HB2 ALA 12 2HB ALA 12 -4.930 -0.107 -0.236 74 HB3 ALA 12 3HB ALA 12 -4.788 -1.234 -1.587 75 H VAL 13 H VAL 13 -3.800 0.085 1.846 76 HA VAL 13 HA VAL 13 -1.517 1.836 1.935 77 HB VAL 13 HB VAL 13 -3.619 1.067 3.996 78 HG11 VAL 13 1HG1 VAL 13 -1.710 2.132 5.096 79 HG12 VAL 13 2HG1 VAL 13 -3.067 3.257 5.039 80 HG13 VAL 13 3HG1 VAL 13 -1.725 3.436 3.908 81 HG21 VAL 13 3HG2 VAL 13 -3.448 3.232 1.886 82 HG22 VAL 13 1HG2 VAL 13 -4.558 3.334 3.253 83 HG23 VAL 13 2HG2 VAL 13 -4.710 2.016 2.092 84 H PHE 14 H PHE 14 -2.452 -0.938 4.036 85 HA PHE 14 HA PHE 14 -0.012 -0.978 5.564 86 HB2 PHE 14 2HB PHE 14 -2.491 -2.275 5.565 87 HB3 PHE 14 1HB PHE 14 -1.336 -3.565 5.251 88 HD1 PHE 14 2HD PHE 14 0.825 -3.567 6.753 89 HD2 PHE 14 1HD PHE 14 -2.840 -1.568 7.774 90 HE1 PHE 14 2HE PHE 14 1.491 -3.564 9.140 91 HE2 PHE 14 1HE PHE 14 -2.173 -1.563 10.159 92 HZ PHE 14 HZ PHE 14 -0.008 -2.561 10.845 93 H VAL 15 H VAL 15 -1.084 -2.947 2.768 94 HA VAL 15 HA VAL 15 1.238 -4.579 2.506 95 HB VAL 15 HB VAL 15 -0.817 -3.541 0.526 96 HG11 VAL 15 1HG1 VAL 15 -0.031 -5.689 -0.749 97 HG12 VAL 15 2HG1 VAL 15 1.468 -5.464 0.153 98 HG13 VAL 15 3HG1 VAL 15 0.893 -4.198 -0.931 99 HG21 VAL 15 3HG2 VAL 15 -1.759 -5.811 0.800 100 HG22 VAL 15 1HG2 VAL 15 -1.666 -4.977 2.351 101 HG23 VAL 15 2HG2 VAL 15 -0.472 -6.208 1.939 102 H GLY 16 H GLY 16 0.522 -1.331 1.196 103 HA2 GLY 16 2HA GLY 16 2.893 -1.098 -0.414 104 HA3 GLY 16 1HA GLY 16 1.898 0.247 0.146 105 H LEU 17 H LEU 17 2.127 -0.103 2.929 106 HA LEU 17 HA LEU 17 4.611 1.211 3.542 107 HB2 LEU 17 2HB LEU 17 2.458 1.365 4.797 108 HB3 LEU 17 1HB LEU 17 2.676 -0.298 5.336 109 HG LEU 17 HG LEU 17 5.043 1.352 5.841 110 HD11 LEU 17 1HD1 LEU 17 3.402 3.138 6.122 111 HD12 LEU 17 2HD1 LEU 17 4.000 2.639 7.704 112 HD13 LEU 17 3HD1 LEU 17 2.413 2.105 7.153 113 HD21 LEU 17 3HD2 LEU 17 4.249 -0.969 6.775 114 HD22 LEU 17 1HD2 LEU 17 3.303 0.005 7.902 115 HD23 LEU 17 2HD2 LEU 17 5.060 0.158 7.862 116 H VAL 18 H VAL 18 3.573 -2.207 3.999 117 HA VAL 18 HA VAL 18 5.937 -3.129 5.336 118 HB VAL 18 HB VAL 18 3.958 -4.511 3.478 119 HG11 VAL 18 1HG1 VAL 18 6.136 -5.757 3.740 120 HG12 VAL 18 2HG1 VAL 18 4.736 -6.619 4.376 121 HG13 VAL 18 3HG1 VAL 18 5.841 -5.796 5.478 122 HG21 VAL 18 3HG2 VAL 18 4.108 -4.733 6.485 123 HG22 VAL 18 1HG2 VAL 18 2.743 -5.075 5.423 124 HG23 VAL 18 2HG2 VAL 18 3.228 -3.408 5.726 125 H LEU 19 H LEU 19 5.122 -2.918 1.866 126 HA LEU 19 HA LEU 19 7.551 -4.074 0.833 127 HB2 LEU 19 2HB LEU 19 5.224 -3.529 -0.244 128 HB3 LEU 19 1HB LEU 19 5.914 -1.931 -0.527 129 HG LEU 19 HG LEU 19 7.916 -3.213 -1.574 130 HD11 LEU 19 1HD1 LEU 19 7.244 -5.403 -2.558 131 HD12 LEU 19 2HD1 LEU 19 5.748 -5.338 -1.625 132 HD13 LEU 19 3HD1 LEU 19 7.302 -5.448 -0.796 133 HD21 LEU 19 3HD2 LEU 19 5.181 -3.197 -2.896 134 HD22 LEU 19 1HD2 LEU 19 6.716 -3.343 -3.750 135 HD23 LEU 19 2HD2 LEU 19 6.331 -1.860 -2.878 136 H LEU 20 H LEU 20 6.562 -0.763 1.646 137 HA LEU 20 HA LEU 20 8.776 0.725 0.672 138 HB2 LEU 20 2HB LEU 20 6.487 1.009 2.442 139 HB3 LEU 20 1HB LEU 20 7.863 1.873 3.101 140 HG LEU 20 HG LEU 20 6.493 3.300 1.627 141 HD11 LEU 20 1HD1 LEU 20 8.285 4.300 0.466 142 HD12 LEU 20 2HD1 LEU 20 9.098 2.757 0.211 143 HD13 LEU 20 3HD1 LEU 20 9.055 3.475 1.820 144 HD21 LEU 20 3HD2 LEU 20 7.072 2.541 -0.953 145 HD22 LEU 20 1HD2 LEU 20 5.548 2.214 -0.131 146 HD23 LEU 20 2HD2 LEU 20 6.807 0.983 -0.174 147 H THR 21 H THR 21 8.247 -0.611 3.962 148 HA THR 21 HA THR 21 10.794 0.063 5.071 149 HB THR 21 HB THR 21 8.994 -2.291 5.736 150 HG1 THR 21 1HG THR 21 8.793 0.472 6.310 151 HG21 THR 21 3HG2 THR 21 10.906 -0.633 7.403 152 HG22 THR 21 1HG2 THR 21 11.110 -2.323 6.943 153 HG23 THR 21 2HG2 THR 21 9.815 -1.859 8.046 154 H LEU 22 H LEU 22 9.728 -2.741 3.169 155 HA LEU 22 HA LEU 22 12.012 -4.438 3.569 156 HB2 LEU 22 2HB LEU 22 9.596 -4.306 1.971 157 HB3 LEU 22 1HB LEU 22 10.947 -4.832 0.971 158 HG LEU 22 HG LEU 22 11.499 -6.537 2.745 159 HD11 LEU 22 1HD1 LEU 22 10.190 -5.277 4.545 160 HD12 LEU 22 2HD1 LEU 22 9.924 -7.019 4.481 161 HD13 LEU 22 3HD1 LEU 22 8.728 -5.919 3.798 162 HD21 LEU 22 3HD2 LEU 22 9.857 -8.095 1.970 163 HD22 LEU 22 1HD2 LEU 22 10.085 -6.945 0.653 164 HD23 LEU 22 2HD2 LEU 22 8.671 -6.819 1.700 165 H SER 23 H SER 23 11.290 -1.884 1.187 166 HA SER 23 HA SER 23 13.707 -2.261 -0.382 167 HB2 SER 23 2HB SER 23 11.570 -0.146 -0.116 168 HB3 SER 23 1HB SER 23 12.966 0.111 -1.155 169 HG SER 23 HG SER 23 10.900 -1.798 -1.321 170 HA PRO 24 HA PRO 24 16.606 -0.037 2.086 171 HB2 PRO 24 2HB PRO 24 18.161 1.167 0.187 172 HB3 PRO 24 1HB PRO 24 18.219 -0.574 0.536 173 HG2 PRO 24 2HG PRO 24 16.828 0.861 -1.667 174 HG3 PRO 24 1HG PRO 24 17.719 -0.669 -1.702 175 HD2 PRO 24 2HD PRO 24 15.016 -0.544 -1.655 176 HD3 PRO 24 1HD PRO 24 15.936 -1.885 -0.934 177 H HIS 25 H HIS 25 15.207 1.505 3.087 178 HA HIS 25 HA HIS 25 14.129 3.881 1.962 179 HB2 HIS 25 2HB HIS 25 14.833 2.853 4.673 180 HB3 HIS 25 1HB HIS 25 14.509 4.578 4.533 181 HD1 HIS 25 1HD HIS 25 12.134 5.199 3.370 182 HD2 HIS 25 2HD HIS 25 12.545 1.277 4.715 183 HE1 HIS 25 1HE HIS 25 9.796 4.245 3.510 184 H TYR 26 H TYR 26 17.304 3.356 3.544 185 HA TYR 26 HA TYR 26 18.106 6.153 2.911 186 HB2 TYR 26 2HB TYR 26 19.073 3.940 4.706 187 HB3 TYR 26 1HB TYR 26 20.182 5.235 4.262 188 HD1 TYR 26 2HD TYR 26 17.036 4.417 6.013 189 HD2 TYR 26 1HD TYR 26 19.835 7.521 5.018 190 HE1 TYR 26 2HE TYR 26 15.987 5.904 7.697 191 HE2 TYR 26 1HE TYR 26 18.784 9.007 6.702 192 HH TYR 26 HH TYR 26 17.201 8.265 9.075 193 H LYS 27 H LYS 27 18.786 6.308 0.808 194 HA LYS 27 HA LYS 27 21.007 4.545 -0.087 195 HB2 LYS 27 2HB LYS 27 19.813 4.236 -2.279 196 HB3 LYS 27 1HB LYS 27 19.028 3.447 -0.918 197 HG2 LYS 27 2HG LYS 27 17.131 4.558 -1.396 198 HG3 LYS 27 1HG LYS 27 17.956 6.083 -1.076 199 HD2 LYS 27 2HD LYS 27 18.899 5.833 -3.482 200 HD3 LYS 27 1HD LYS 27 17.605 4.655 -3.707 201 HE2 LYS 27 2HE LYS 27 16.085 6.572 -2.689 202 HE3 LYS 27 1HE LYS 27 17.404 7.620 -3.244 203 HZ1 LYS 27 3HZ LYS 27 17.270 6.535 -5.429 204 HZ2 LYS 27 1HZ LYS 27 15.823 7.320 -5.024 205 HZ3 LYS 27 2HZ LYS 27 15.930 5.630 -4.896 Start of MODEL 34 1 H1 MET 1 1HT MET 1 -9.308 5.589 14.817 2 H2 MET 1 2HT MET 1 -8.676 4.480 15.937 3 H3 MET 1 3HT MET 1 -8.760 6.130 16.327 4 HA MET 1 HA MET 1 -10.530 4.822 17.426 5 HB2 MET 1 2HB MET 1 -10.612 7.243 15.927 6 HB3 MET 1 1HB MET 1 -12.163 6.439 15.688 7 HG2 MET 1 2HG MET 1 -12.696 6.492 17.959 8 HG3 MET 1 1HG MET 1 -11.008 6.610 18.457 9 HE1 MET 1 2HE MET 1 -14.189 8.734 18.456 10 HE2 MET 1 3HE MET 1 -13.976 8.059 16.843 11 HE3 MET 1 1HE MET 1 -13.909 9.812 17.093 12 H ASP 2 H ASP 2 -12.953 4.256 16.767 13 HA ASP 2 HA ASP 2 -14.446 2.794 15.739 14 HB2 ASP 2 2HB ASP 2 -12.697 3.692 13.459 15 HB3 ASP 2 1HB ASP 2 -13.961 2.495 13.194 16 H ARG 3 H ARG 3 -14.573 0.643 14.558 17 HA ARG 3 HA ARG 3 -12.129 -1.046 14.952 18 HB2 ARG 3 2HB ARG 3 -14.577 -0.997 16.488 19 HB3 ARG 3 1HB ARG 3 -14.428 -2.552 15.673 20 HG2 ARG 3 2HG ARG 3 -11.938 -1.532 16.921 21 HG3 ARG 3 1HG ARG 3 -13.223 -1.973 18.043 22 HD2 ARG 3 2HD ARG 3 -12.280 -4.065 17.812 23 HD3 ARG 3 1HD ARG 3 -13.329 -4.122 16.385 24 HE ARG 3 HE ARG 3 -10.821 -2.837 15.733 25 HH11 ARG 3 1HH1 ARG 3 -9.830 -5.281 17.118 26 HH12 ARG 3 2HH1 ARG 3 -9.802 -6.451 15.844 27 HH21 ARG 3 1HH2 ARG 3 -11.871 -4.592 13.742 28 HH22 ARG 3 2HH2 ARG 3 -10.968 -6.060 13.915 29 H GLU 4 H GLU 4 -15.518 -1.099 13.739 30 HA GLU 4 HA GLU 4 -15.091 -3.204 11.813 31 HB2 GLU 4 2HB GLU 4 -17.159 -1.050 12.268 32 HB3 GLU 4 1HB GLU 4 -17.262 -2.111 10.865 33 HG2 GLU 4 2HG GLU 4 -18.297 -3.608 12.192 34 HG3 GLU 4 1HG GLU 4 -16.747 -3.848 12.995 35 H MET 5 H MET 5 -14.826 0.347 11.642 36 HA MET 5 HA MET 5 -14.128 0.214 8.749 37 HB2 MET 5 2HB MET 5 -15.135 2.216 10.697 38 HB3 MET 5 1HB MET 5 -14.061 2.843 9.446 39 HG2 MET 5 2HG MET 5 -16.097 0.966 8.438 40 HG3 MET 5 1HG MET 5 -16.762 2.444 9.130 41 HE1 MET 5 3HE MET 5 -13.347 1.714 6.984 42 HE2 MET 5 1HE MET 5 -14.192 1.845 5.432 43 HE3 MET 5 2HE MET 5 -14.726 0.677 6.636 44 H ALA 6 H ALA 6 -12.347 -0.463 11.339 45 HA ALA 6 HA ALA 6 -10.038 1.323 10.708 46 HB1 ALA 6 1HB ALA 6 -9.246 0.617 12.918 47 HB2 ALA 6 2HB ALA 6 -10.584 -0.525 13.045 48 HB3 ALA 6 3HB ALA 6 -10.905 1.209 13.024 49 H ALA 7 H ALA 7 -11.133 -1.794 9.883 50 HA ALA 7 HA ALA 7 -8.398 -2.981 9.835 51 HB1 ALA 7 1HB ALA 7 -11.095 -4.189 9.145 52 HB2 ALA 7 2HB ALA 7 -10.388 -4.214 10.761 53 HB3 ALA 7 3HB ALA 7 -9.591 -5.062 9.435 54 H SER 8 H SER 8 -11.164 -2.365 7.628 55 HA SER 8 HA SER 8 -9.835 -3.143 5.203 56 HB2 SER 8 2HB SER 8 -12.334 -2.788 5.741 57 HB3 SER 8 1HB SER 8 -12.025 -1.081 5.446 58 HG SER 8 HG SER 8 -12.718 -2.330 3.578 59 H ALA 9 H ALA 9 -9.832 -0.082 7.008 60 HA ALA 9 HA ALA 9 -8.868 1.616 4.886 61 HB1 ALA 9 1HB ALA 9 -8.562 1.778 7.903 62 HB2 ALA 9 2HB ALA 9 -9.911 2.425 6.967 63 HB3 ALA 9 3HB ALA 9 -8.297 3.113 6.782 64 H GLY 10 H GLY 10 -7.154 -0.207 7.459 65 HA2 GLY 10 2HA GLY 10 -4.542 0.527 6.276 66 HA3 GLY 10 1HA GLY 10 -4.784 -0.339 7.793 67 H GLY 11 H GLY 11 -5.951 -0.992 4.463 68 HA2 GLY 11 2HA GLY 11 -4.896 -3.773 4.745 69 HA3 GLY 11 1HA GLY 11 -6.215 -3.296 3.668 70 H ALA 12 H ALA 12 -5.656 -1.795 1.881 71 HA ALA 12 HA ALA 12 -3.388 -2.693 0.362 72 HB1 ALA 12 1HB ALA 12 -4.165 -1.139 -1.256 73 HB2 ALA 12 2HB ALA 12 -4.838 -0.068 -0.028 74 HB3 ALA 12 3HB ALA 12 -5.620 -1.610 -0.378 75 H VAL 13 H VAL 13 -3.944 0.281 2.273 76 HA VAL 13 HA VAL 13 -1.502 1.640 1.707 77 HB VAL 13 HB VAL 13 -3.181 1.574 4.245 78 HG11 VAL 13 1HG1 VAL 13 -1.142 3.573 3.221 79 HG12 VAL 13 2HG1 VAL 13 -1.046 2.621 4.704 80 HG13 VAL 13 3HG1 VAL 13 -2.255 3.895 4.550 81 HG21 VAL 13 3HG2 VAL 13 -4.723 2.375 2.740 82 HG22 VAL 13 1HG2 VAL 13 -3.491 2.883 1.586 83 HG23 VAL 13 2HG2 VAL 13 -3.845 3.883 2.994 84 H PHE 14 H PHE 14 -2.296 -0.808 4.185 85 HA PHE 14 HA PHE 14 0.248 -0.800 5.532 86 HB2 PHE 14 2HB PHE 14 -2.056 -1.754 6.223 87 HB3 PHE 14 1HB PHE 14 -1.621 -3.159 5.252 88 HD1 PHE 14 1HD PHE 14 -0.712 -1.133 8.215 89 HD2 PHE 14 2HD PHE 14 0.083 -4.711 5.975 90 HE1 PHE 14 1HE PHE 14 0.651 -2.006 10.094 91 HE2 PHE 14 2HE PHE 14 1.446 -5.584 7.855 92 HZ PHE 14 HZ PHE 14 1.730 -4.232 9.914 93 H VAL 15 H VAL 15 -1.037 -2.747 2.808 94 HA VAL 15 HA VAL 15 1.135 -4.569 2.509 95 HB VAL 15 HB VAL 15 -0.799 -3.317 0.526 96 HG11 VAL 15 1HG1 VAL 15 -0.223 -5.348 -0.890 97 HG12 VAL 15 2HG1 VAL 15 1.174 -5.586 0.161 98 HG13 VAL 15 3HG1 VAL 15 1.034 -4.115 -0.802 99 HG21 VAL 15 3HG2 VAL 15 -2.139 -5.222 0.882 100 HG22 VAL 15 1HG2 VAL 15 -1.542 -4.857 2.500 101 HG23 VAL 15 2HG2 VAL 15 -0.802 -6.151 1.559 102 H GLY 16 H GLY 16 0.657 -1.295 1.134 103 HA2 GLY 16 2HA GLY 16 3.113 -1.239 -0.371 104 HA3 GLY 16 1HA GLY 16 2.162 0.174 0.091 105 H LEU 17 H LEU 17 2.222 -0.190 2.918 106 HA LEU 17 HA LEU 17 4.669 1.096 3.636 107 HB2 LEU 17 2HB LEU 17 2.444 -0.297 5.121 108 HB3 LEU 17 1HB LEU 17 3.841 0.323 5.997 109 HG LEU 17 HG LEU 17 2.177 2.013 4.110 110 HD11 LEU 17 1HD1 LEU 17 2.042 1.828 7.137 111 HD12 LEU 17 2HD1 LEU 17 0.812 1.227 6.023 112 HD13 LEU 17 3HD1 LEU 17 1.136 2.957 6.129 113 HD21 LEU 17 3HD2 LEU 17 4.403 2.905 4.460 114 HD22 LEU 17 1HD2 LEU 17 4.296 2.624 6.197 115 HD23 LEU 17 2HD2 LEU 17 3.290 3.857 5.439 116 H VAL 18 H VAL 18 3.688 -2.344 3.802 117 HA VAL 18 HA VAL 18 6.030 -3.280 5.210 118 HB VAL 18 HB VAL 18 4.119 -4.652 3.277 119 HG11 VAL 18 1HG1 VAL 18 5.877 -5.933 5.389 120 HG12 VAL 18 2HG1 VAL 18 6.318 -5.853 3.683 121 HG13 VAL 18 3HG1 VAL 18 4.884 -6.748 4.181 122 HG21 VAL 18 3HG2 VAL 18 2.640 -4.740 4.988 123 HG22 VAL 18 1HG2 VAL 18 3.656 -3.567 5.824 124 HG23 VAL 18 2HG2 VAL 18 3.878 -5.291 6.115 125 H LEU 19 H LEU 19 5.247 -2.933 1.742 126 HA LEU 19 HA LEU 19 7.725 -4.066 0.752 127 HB2 LEU 19 2HB LEU 19 5.335 -3.524 -0.326 128 HB3 LEU 19 1HB LEU 19 6.151 -2.029 -0.781 129 HG LEU 19 HG LEU 19 7.528 -4.650 -1.278 130 HD11 LEU 19 1HD1 LEU 19 5.418 -3.414 -3.075 131 HD12 LEU 19 2HD1 LEU 19 5.255 -4.936 -2.197 132 HD13 LEU 19 3HD1 LEU 19 6.446 -4.786 -3.489 133 HD21 LEU 19 3HD2 LEU 19 7.468 -1.928 -2.623 134 HD22 LEU 19 1HD2 LEU 19 8.361 -3.313 -3.252 135 HD23 LEU 19 2HD2 LEU 19 8.795 -2.621 -1.690 136 H LEU 20 H LEU 20 6.595 -0.730 1.390 137 HA LEU 20 HA LEU 20 8.985 0.611 0.465 138 HB2 LEU 20 2HB LEU 20 6.518 1.421 1.065 139 HB3 LEU 20 1HB LEU 20 7.237 1.697 2.651 140 HG LEU 20 HG LEU 20 9.146 2.811 1.076 141 HD11 LEU 20 1HD1 LEU 20 8.115 4.058 -0.725 142 HD12 LEU 20 2HD1 LEU 20 6.518 3.445 -0.296 143 HD13 LEU 20 3HD1 LEU 20 7.735 2.352 -0.955 144 HD21 LEU 20 3HD2 LEU 20 6.607 4.218 1.970 145 HD22 LEU 20 1HD2 LEU 20 8.183 4.964 1.711 146 HD23 LEU 20 2HD2 LEU 20 7.957 3.821 3.034 147 H THR 21 H THR 21 7.963 -0.730 3.592 148 HA THR 21 HA THR 21 10.545 0.102 4.847 149 HB THR 21 HB THR 21 8.190 -1.199 6.224 150 HG1 THR 21 1HG THR 21 7.116 0.439 5.373 151 HG21 THR 21 3HG2 THR 21 10.377 -0.770 7.407 152 HG22 THR 21 1HG2 THR 21 8.980 0.015 8.141 153 HG23 THR 21 2HG2 THR 21 10.101 0.953 7.155 154 H LEU 22 H LEU 22 10.418 -2.094 2.868 155 HA LEU 22 HA LEU 22 10.499 -4.634 4.322 156 HB2 LEU 22 2HB LEU 22 9.850 -4.013 1.844 157 HB3 LEU 22 1HB LEU 22 11.580 -4.198 1.557 158 HG LEU 22 HG LEU 22 10.442 -6.364 3.180 159 HD11 LEU 22 1HD1 LEU 22 9.558 -6.069 0.292 160 HD12 LEU 22 2HD1 LEU 22 8.504 -5.887 1.694 161 HD13 LEU 22 3HD1 LEU 22 9.243 -7.448 1.343 162 HD21 LEU 22 3HD2 LEU 22 12.721 -6.319 2.148 163 HD22 LEU 22 1HD2 LEU 22 11.966 -6.339 0.552 164 HD23 LEU 22 2HD2 LEU 22 11.771 -7.714 1.638 165 H SER 23 H SER 23 12.848 -2.189 3.379 166 HA SER 23 HA SER 23 15.108 -1.937 3.917 167 HB2 SER 23 2HB SER 23 14.762 -4.523 5.468 168 HB3 SER 23 1HB SER 23 16.051 -3.350 5.660 169 HG SER 23 HG SER 23 13.315 -3.163 6.330 170 HA PRO 24 HA PRO 24 17.228 -4.337 0.909 171 HB2 PRO 24 2HB PRO 24 19.829 -4.122 1.721 172 HB3 PRO 24 1HB PRO 24 18.923 -2.777 1.000 173 HG2 PRO 24 2HG PRO 24 19.567 -3.306 3.846 174 HG3 PRO 24 1HG PRO 24 19.489 -1.771 2.968 175 HD2 PRO 24 2HD PRO 24 17.529 -2.682 4.640 176 HD3 PRO 24 1HD PRO 24 17.253 -1.543 3.304 177 H HIS 25 H HIS 25 19.241 -6.075 0.919 178 HA HIS 25 HA HIS 25 19.904 -8.258 1.412 179 HB2 HIS 25 2HB HIS 25 20.469 -6.918 3.542 180 HB3 HIS 25 1HB HIS 25 19.034 -7.659 4.247 181 HD1 HIS 25 1HD HIS 25 19.053 -10.271 4.535 182 HD2 HIS 25 2HD HIS 25 22.677 -8.661 3.244 183 HE1 HIS 25 1HE HIS 25 20.791 -12.091 4.826 184 H TYR 26 H TYR 26 17.570 -8.357 0.183 185 HA TYR 26 HA TYR 26 15.956 -10.350 1.734 186 HB2 TYR 26 2HB TYR 26 15.021 -7.966 1.604 187 HB3 TYR 26 1HB TYR 26 14.806 -8.258 -0.122 188 HD1 TYR 26 1HD TYR 26 13.994 -9.709 3.233 189 HD2 TYR 26 2HD TYR 26 12.895 -9.370 -0.906 190 HE1 TYR 26 1HE TYR 26 11.879 -10.917 3.695 191 HE2 TYR 26 2HE TYR 26 10.780 -10.578 -0.445 192 HH TYR 26 HH TYR 26 10.128 -12.409 1.639 193 H LYS 27 H LYS 27 15.658 -12.213 0.591 194 HA LYS 27 HA LYS 27 15.339 -12.256 -2.315 195 HB2 LYS 27 2HB LYS 27 17.361 -13.627 -2.723 196 HB3 LYS 27 1HB LYS 27 17.773 -12.032 -2.102 197 HG2 LYS 27 2HG LYS 27 17.610 -13.370 0.236 198 HG3 LYS 27 1HG LYS 27 18.062 -14.705 -0.821 199 HD2 LYS 27 2HD LYS 27 20.165 -13.921 -1.122 200 HD3 LYS 27 1HD LYS 27 19.620 -12.254 -1.299 201 HE2 LYS 27 2HE LYS 27 19.592 -13.596 1.409 202 HE3 LYS 27 1HE LYS 27 21.064 -12.823 0.789 203 HZ1 LYS 27 3HZ LYS 27 19.644 -10.831 0.298 204 HZ2 LYS 27 1HZ LYS 27 19.864 -11.159 1.944 205 HZ3 LYS 27 2HZ LYS 27 18.401 -11.571 1.191 Start of MODEL 35 1 H1 MET 1 1HT MET 1 -5.196 -16.995 2.383 2 H2 MET 1 2HT MET 1 -5.251 -18.647 2.002 3 H3 MET 1 3HT MET 1 -3.853 -17.739 1.668 4 HA MET 1 HA MET 1 -4.921 -18.239 4.403 5 HB2 MET 1 2HB MET 1 -3.146 -19.916 4.559 6 HB3 MET 1 1HB MET 1 -4.194 -20.291 3.197 7 HG2 MET 1 2HG MET 1 -2.578 -19.669 1.619 8 HG3 MET 1 1HG MET 1 -1.713 -18.639 2.758 9 HE1 MET 1 2HE MET 1 -0.767 -19.503 4.929 10 HE2 MET 1 3HE MET 1 0.560 -19.430 3.775 11 HE3 MET 1 1HE MET 1 0.406 -20.814 4.870 12 H ASP 2 H ASP 2 -2.694 -18.144 5.821 13 HA ASP 2 HA ASP 2 -1.134 -16.718 6.827 14 HB2 ASP 2 2HB ASP 2 -0.377 -17.309 4.242 15 HB3 ASP 2 1HB ASP 2 -0.246 -15.552 4.286 16 H ARG 3 H ARG 3 -3.756 -15.607 6.655 17 HA ARG 3 HA ARG 3 -3.243 -12.717 6.045 18 HB2 ARG 3 2HB ARG 3 -5.427 -14.570 5.596 19 HB3 ARG 3 1HB ARG 3 -5.985 -13.182 6.531 20 HG2 ARG 3 2HG ARG 3 -4.624 -11.790 4.769 21 HG3 ARG 3 1HG ARG 3 -4.779 -13.240 3.778 22 HD2 ARG 3 2HD ARG 3 -7.320 -12.507 5.043 23 HD3 ARG 3 1HD ARG 3 -6.691 -11.226 3.989 24 HE ARG 3 HE ARG 3 -6.749 -14.033 2.976 25 HH11 ARG 3 1HH1 ARG 3 -5.983 -11.642 1.280 26 HH12 ARG 3 2HH1 ARG 3 -7.444 -11.356 0.397 27 HH21 ARG 3 1HH2 ARG 3 -9.411 -13.284 2.532 28 HH22 ARG 3 2HH2 ARG 3 -9.403 -12.294 1.113 29 H GLU 4 H GLU 4 -2.695 -11.602 7.836 30 HA GLU 4 HA GLU 4 -4.294 -11.916 10.324 31 HB2 GLU 4 2HB GLU 4 -2.261 -13.420 10.333 32 HB3 GLU 4 1HB GLU 4 -1.256 -11.978 10.243 33 HG2 GLU 4 2HG GLU 4 -2.486 -11.172 12.344 34 HG3 GLU 4 1HG GLU 4 -3.113 -12.816 12.478 35 H MET 5 H MET 5 -1.222 -10.160 9.641 36 HA MET 5 HA MET 5 -2.736 -7.581 9.916 37 HB2 MET 5 2HB MET 5 -0.395 -8.717 11.355 38 HB3 MET 5 1HB MET 5 -0.292 -7.006 10.939 39 HG2 MET 5 2HG MET 5 -2.361 -6.523 12.085 40 HG3 MET 5 1HG MET 5 -2.676 -8.239 12.343 41 HE1 MET 5 3HE MET 5 -1.306 -9.781 13.550 42 HE2 MET 5 1HE MET 5 -2.334 -9.110 14.828 43 HE3 MET 5 2HE MET 5 -0.624 -9.401 15.127 44 H ALA 6 H ALA 6 -2.264 -8.647 7.405 45 HA ALA 6 HA ALA 6 0.175 -7.301 6.327 46 HB1 ALA 6 1HB ALA 6 -0.374 -8.694 4.322 47 HB2 ALA 6 2HB ALA 6 -1.783 -9.315 5.180 48 HB3 ALA 6 3HB ALA 6 -0.163 -9.656 5.785 49 H ALA 7 H ALA 7 -3.383 -7.365 5.970 50 HA ALA 7 HA ALA 7 -3.225 -4.749 4.510 51 HB1 ALA 7 1HB ALA 7 -5.388 -6.672 3.847 52 HB2 ALA 7 2HB ALA 7 -3.762 -7.132 3.340 53 HB3 ALA 7 3HB ALA 7 -4.461 -5.610 2.788 54 H SER 8 H SER 8 -3.564 -4.239 6.957 55 HA SER 8 HA SER 8 -6.442 -4.421 7.718 56 HB2 SER 8 2HB SER 8 -4.184 -5.024 9.112 57 HB3 SER 8 1HB SER 8 -4.437 -3.359 9.621 58 HG SER 8 HG SER 8 -5.703 -5.541 10.432 59 H ALA 9 H ALA 9 -4.134 -2.094 6.566 60 HA ALA 9 HA ALA 9 -5.677 0.208 7.647 61 HB1 ALA 9 1HB ALA 9 -3.154 0.089 7.689 62 HB2 ALA 9 2HB ALA 9 -3.776 1.503 6.839 63 HB3 ALA 9 3HB ALA 9 -3.173 0.120 5.926 64 H GLY 10 H GLY 10 -7.322 -1.124 6.072 65 HA2 GLY 10 2HA GLY 10 -8.850 -0.418 4.361 66 HA3 GLY 10 1HA GLY 10 -7.556 0.525 3.623 67 H GLY 11 H GLY 11 -6.579 -2.650 4.563 68 HA2 GLY 11 2HA GLY 11 -5.936 -4.502 3.322 69 HA3 GLY 11 1HA GLY 11 -7.408 -4.245 2.388 70 H ALA 12 H ALA 12 -4.688 -1.995 2.682 71 HA ALA 12 HA ALA 12 -3.511 -2.654 0.091 72 HB1 ALA 12 1HB ALA 12 -5.520 -0.422 0.393 73 HB2 ALA 12 2HB ALA 12 -5.444 -1.673 -0.848 74 HB3 ALA 12 3HB ALA 12 -4.272 -0.355 -0.853 75 H VAL 13 H VAL 13 -4.080 0.326 2.037 76 HA VAL 13 HA VAL 13 -1.558 1.548 1.685 77 HB VAL 13 HB VAL 13 -3.332 1.552 4.154 78 HG11 VAL 13 1HG1 VAL 13 -2.383 3.816 4.508 79 HG12 VAL 13 2HG1 VAL 13 -1.306 3.566 3.134 80 HG13 VAL 13 3HG1 VAL 13 -1.141 2.566 4.578 81 HG21 VAL 13 3HG2 VAL 13 -3.958 3.834 2.866 82 HG22 VAL 13 1HG2 VAL 13 -4.816 2.323 2.565 83 HG23 VAL 13 2HG2 VAL 13 -3.536 2.843 1.469 84 H PHE 14 H PHE 14 -2.526 -0.941 4.021 85 HA PHE 14 HA PHE 14 -0.175 -1.009 5.649 86 HB2 PHE 14 2HB PHE 14 -2.599 -2.157 5.678 87 HB3 PHE 14 1HB PHE 14 -1.698 -3.497 4.989 88 HD1 PHE 14 2HD PHE 14 0.607 -4.037 6.211 89 HD2 PHE 14 1HD PHE 14 -2.695 -1.961 8.010 90 HE1 PHE 14 2HE PHE 14 1.458 -4.628 8.462 91 HE2 PHE 14 1HE PHE 14 -1.843 -2.554 10.258 92 HZ PHE 14 HZ PHE 14 0.233 -3.887 10.486 93 H VAL 15 H VAL 15 -1.066 -2.962 2.773 94 HA VAL 15 HA VAL 15 1.307 -4.536 2.603 95 HB VAL 15 HB VAL 15 -0.684 -3.579 0.516 96 HG11 VAL 15 1HG1 VAL 15 1.411 -4.317 -0.568 97 HG12 VAL 15 2HG1 VAL 15 0.105 -5.463 -0.862 98 HG13 VAL 15 3HG1 VAL 15 1.344 -5.831 0.336 99 HG21 VAL 15 3HG2 VAL 15 -1.849 -5.595 0.928 100 HG22 VAL 15 1HG2 VAL 15 -1.387 -5.053 2.541 101 HG23 VAL 15 2HG2 VAL 15 -0.470 -6.329 1.745 102 H GLY 16 H GLY 16 0.507 -1.384 1.069 103 HA2 GLY 16 2HA GLY 16 2.920 -1.112 -0.437 104 HA3 GLY 16 1HA GLY 16 1.893 0.228 0.073 105 H LEU 17 H LEU 17 2.090 -0.142 2.884 106 HA LEU 17 HA LEU 17 4.501 1.283 3.515 107 HB2 LEU 17 2HB LEU 17 2.077 0.577 4.739 108 HB3 LEU 17 1HB LEU 17 3.310 -0.186 5.738 109 HG LEU 17 HG LEU 17 4.402 2.307 5.278 110 HD11 LEU 17 1HD1 LEU 17 1.424 2.457 5.139 111 HD12 LEU 17 2HD1 LEU 17 2.640 3.501 4.402 112 HD13 LEU 17 3HD1 LEU 17 2.248 3.674 6.112 113 HD21 LEU 17 3HD2 LEU 17 3.554 2.772 7.636 114 HD22 LEU 17 1HD2 LEU 17 4.420 1.249 7.434 115 HD23 LEU 17 2HD2 LEU 17 2.658 1.257 7.524 116 H VAL 18 H VAL 18 3.604 -2.161 3.933 117 HA VAL 18 HA VAL 18 5.998 -3.025 5.257 118 HB VAL 18 HB VAL 18 3.943 -4.398 3.497 119 HG11 VAL 18 1HG1 VAL 18 4.912 -6.493 4.751 120 HG12 VAL 18 2HG1 VAL 18 6.370 -5.508 4.887 121 HG13 VAL 18 3HG1 VAL 18 5.720 -5.906 3.297 122 HG21 VAL 18 3HG2 VAL 18 3.310 -3.436 5.773 123 HG22 VAL 18 1HG2 VAL 18 4.414 -4.614 6.483 124 HG23 VAL 18 2HG2 VAL 18 3.006 -5.162 5.574 125 H LEU 19 H LEU 19 5.129 -2.870 1.794 126 HA LEU 19 HA LEU 19 7.501 -4.061 0.716 127 HB2 LEU 19 2HB LEU 19 5.182 -3.403 -0.308 128 HB3 LEU 19 1HB LEU 19 5.948 -1.845 -0.613 129 HG LEU 19 HG LEU 19 7.521 -4.234 -1.413 130 HD11 LEU 19 1HD1 LEU 19 5.107 -3.336 -3.012 131 HD12 LEU 19 2HD1 LEU 19 5.180 -4.828 -2.074 132 HD13 LEU 19 3HD1 LEU 19 6.254 -4.600 -3.455 133 HD21 LEU 19 3HD2 LEU 19 8.308 -2.783 -3.086 134 HD22 LEU 19 1HD2 LEU 19 7.980 -1.674 -1.755 135 HD23 LEU 19 2HD2 LEU 19 6.829 -1.823 -3.084 136 H LEU 20 H LEU 20 6.753 -0.734 1.705 137 HA LEU 20 HA LEU 20 9.111 0.532 0.608 138 HB2 LEU 20 2HB LEU 20 6.822 1.481 1.427 139 HB3 LEU 20 1HB LEU 20 7.560 1.452 3.028 140 HG LEU 20 HG LEU 20 9.556 2.644 1.651 141 HD11 LEU 20 1HD1 LEU 20 8.566 2.805 -0.484 142 HD12 LEU 20 2HD1 LEU 20 8.293 4.399 0.218 143 HD13 LEU 20 3HD1 LEU 20 6.985 3.216 0.179 144 HD21 LEU 20 3HD2 LEU 20 8.812 4.703 2.642 145 HD22 LEU 20 1HD2 LEU 20 8.269 3.413 3.715 146 HD23 LEU 20 2HD2 LEU 20 7.127 4.182 2.613 147 H THR 21 H THR 21 8.277 -0.657 3.887 148 HA THR 21 HA THR 21 10.796 0.026 5.117 149 HB THR 21 HB THR 21 8.737 -2.077 5.871 150 HG1 THR 21 1HG THR 21 7.548 -0.343 6.034 151 HG21 THR 21 3HG2 THR 21 10.462 -2.480 7.354 152 HG22 THR 21 1HG2 THR 21 9.620 -1.190 8.214 153 HG23 THR 21 2HG2 THR 21 11.063 -0.824 7.270 154 H LEU 22 H LEU 22 9.704 -2.822 3.296 155 HA LEU 22 HA LEU 22 11.774 -4.647 4.106 156 HB2 LEU 22 2HB LEU 22 9.835 -4.372 1.837 157 HB3 LEU 22 1HB LEU 22 11.127 -5.558 1.686 158 HG LEU 22 HG LEU 22 9.336 -5.421 4.120 159 HD11 LEU 22 1HD1 LEU 22 7.920 -7.082 3.151 160 HD12 LEU 22 2HD1 LEU 22 9.010 -7.318 1.784 161 HD13 LEU 22 3HD1 LEU 22 8.085 -5.823 1.928 162 HD21 LEU 22 3HD2 LEU 22 11.433 -6.640 4.428 163 HD22 LEU 22 1HD2 LEU 22 11.158 -7.549 2.941 164 HD23 LEU 22 2HD2 LEU 22 10.107 -7.799 4.334 165 H SER 23 H SER 23 11.510 -2.862 0.988 166 HA SER 23 HA SER 23 14.362 -2.150 1.046 167 HB2 SER 23 2HB SER 23 13.767 -4.665 0.188 168 HB3 SER 23 1HB SER 23 13.624 -3.779 -1.326 169 HG SER 23 HG SER 23 15.723 -3.410 -1.290 170 HA PRO 24 HA PRO 24 11.978 0.948 -1.272 171 HB2 PRO 24 2HB PRO 24 13.899 2.893 -1.183 172 HB3 PRO 24 1HB PRO 24 12.795 2.557 0.169 173 HG2 PRO 24 2HG PRO 24 15.614 1.677 -0.221 174 HG3 PRO 24 1HG PRO 24 14.809 2.269 1.243 175 HD2 PRO 24 2HD PRO 24 15.256 -0.351 0.820 176 HD3 PRO 24 1HD PRO 24 13.828 0.242 1.698 177 H HIS 25 H HIS 25 12.056 1.497 -3.471 178 HA HIS 25 HA HIS 25 14.388 0.433 -5.021 179 HB2 HIS 25 2HB HIS 25 11.790 -0.248 -5.168 180 HB3 HIS 25 1HB HIS 25 11.772 1.110 -6.291 181 HD1 HIS 25 1HD HIS 25 14.237 -1.759 -5.694 182 HD2 HIS 25 2HD HIS 25 12.222 0.124 -8.822 183 HE1 HIS 25 1HE HIS 25 14.966 -2.922 -7.818 184 H TYR 26 H TYR 26 14.846 2.928 -3.922 185 HA TYR 26 HA TYR 26 14.127 5.031 -5.873 186 HB2 TYR 26 2HB TYR 26 14.270 5.219 -3.302 187 HB3 TYR 26 1HB TYR 26 16.018 5.225 -3.522 188 HD1 TYR 26 1HD TYR 26 17.134 7.062 -4.756 189 HD2 TYR 26 2HD TYR 26 12.908 7.106 -3.979 190 HE1 TYR 26 1HE TYR 26 17.054 9.474 -5.317 191 HE2 TYR 26 2HE TYR 26 12.831 9.519 -4.541 192 HH TYR 26 HH TYR 26 15.013 11.495 -4.464 193 H LYS 27 H LYS 27 15.598 5.970 -7.314 194 HA LYS 27 HA LYS 27 18.357 4.802 -7.446 195 HB2 LYS 27 2HB LYS 27 16.140 4.588 -9.267 196 HB3 LYS 27 1HB LYS 27 17.432 5.501 -10.045 197 HG2 LYS 27 2HG LYS 27 18.992 3.621 -9.125 198 HG3 LYS 27 1HG LYS 27 17.501 2.692 -8.963 199 HD2 LYS 27 2HD LYS 27 18.215 4.085 -11.546 200 HD3 LYS 27 1HD LYS 27 18.801 2.462 -11.185 201 HE2 LYS 27 2HE LYS 27 15.935 2.715 -10.644 202 HE3 LYS 27 1HE LYS 27 16.331 3.072 -12.335 203 HZ1 LYS 27 3HZ LYS 27 17.502 1.031 -12.543 204 HZ2 LYS 27 1HZ LYS 27 16.005 0.659 -11.839 205 HZ3 LYS 27 2HZ LYS 27 17.400 0.715 -10.872 Start of MODEL 36 1 H1 MET 1 1HT MET 1 -0.220 2.916 16.444 2 H2 MET 1 2HT MET 1 -1.411 4.119 16.587 3 H3 MET 1 3HT MET 1 -0.272 4.193 15.331 4 HA MET 1 HA MET 1 -2.471 3.410 14.555 5 HB2 MET 1 2HB MET 1 0.148 2.036 14.361 6 HB3 MET 1 1HB MET 1 -1.227 1.088 13.798 7 HG2 MET 1 2HG MET 1 -0.847 3.950 12.921 8 HG3 MET 1 1HG MET 1 -0.053 2.620 12.078 9 HE1 MET 1 2HE MET 1 -1.538 3.999 10.112 10 HE2 MET 1 3HE MET 1 -2.639 2.809 9.428 11 HE3 MET 1 1HE MET 1 -0.996 2.338 9.892 12 H ASP 2 H ASP 2 -4.212 2.713 15.723 13 HA ASP 2 HA ASP 2 -3.969 0.473 17.644 14 HB2 ASP 2 2HB ASP 2 -6.187 1.182 18.334 15 HB3 ASP 2 1HB ASP 2 -5.168 2.605 18.157 16 H ARG 3 H ARG 3 -5.429 1.143 14.468 17 HA ARG 3 HA ARG 3 -6.590 -1.608 14.419 18 HB2 ARG 3 2HB ARG 3 -7.015 0.961 12.895 19 HB3 ARG 3 1HB ARG 3 -7.650 -0.568 12.289 20 HG2 ARG 3 2HG ARG 3 -8.442 -0.662 14.914 21 HG3 ARG 3 1HG ARG 3 -8.549 1.064 14.580 22 HD2 ARG 3 2HD ARG 3 -9.705 -0.864 12.582 23 HD3 ARG 3 1HD ARG 3 -10.621 -0.480 14.052 24 HE ARG 3 HE ARG 3 -10.811 1.784 13.323 25 HH11 ARG 3 1HH1 ARG 3 -11.100 0.519 10.607 26 HH12 ARG 3 2HH1 ARG 3 -9.967 1.426 9.665 27 HH21 ARG 3 1HH2 ARG 3 -8.289 2.691 12.448 28 HH22 ARG 3 2HH2 ARG 3 -8.353 2.661 10.718 29 H GLU 4 H GLU 4 -3.728 -1.319 14.228 30 HA GLU 4 HA GLU 4 -2.698 -1.276 11.557 31 HB2 GLU 4 2HB GLU 4 -1.757 -1.557 14.189 32 HB3 GLU 4 1HB GLU 4 -1.292 -3.059 13.392 33 HG2 GLU 4 2HG GLU 4 -0.744 -0.308 12.245 34 HG3 GLU 4 1HG GLU 4 0.421 -1.226 13.197 35 H MET 5 H MET 5 -4.018 -3.909 13.558 36 HA MET 5 HA MET 5 -3.748 -5.796 11.245 37 HB2 MET 5 2HB MET 5 -2.748 -6.095 13.677 38 HB3 MET 5 1HB MET 5 -4.391 -6.600 14.066 39 HG2 MET 5 2HG MET 5 -4.078 -8.072 11.865 40 HG3 MET 5 1HG MET 5 -2.374 -7.913 12.291 41 HE1 MET 5 3HE MET 5 -5.678 -10.235 14.379 42 HE2 MET 5 1HE MET 5 -5.455 -9.903 12.653 43 HE3 MET 5 2HE MET 5 -5.913 -8.607 13.751 44 H ALA 6 H ALA 6 -5.946 -3.702 11.800 45 HA ALA 6 HA ALA 6 -8.312 -5.406 12.347 46 HB1 ALA 6 1HB ALA 6 -8.026 -2.439 11.776 47 HB2 ALA 6 2HB ALA 6 -8.039 -3.168 13.382 48 HB3 ALA 6 3HB ALA 6 -9.480 -3.243 12.368 49 H ALA 7 H ALA 7 -7.315 -3.091 9.761 50 HA ALA 7 HA ALA 7 -8.690 -4.861 7.766 51 HB1 ALA 7 1HB ALA 7 -10.173 -3.031 8.532 52 HB2 ALA 7 2HB ALA 7 -9.767 -2.882 6.822 53 HB3 ALA 7 3HB ALA 7 -8.966 -1.856 8.009 54 H SER 8 H SER 8 -5.732 -3.882 8.482 55 HA SER 8 HA SER 8 -3.774 -3.322 7.312 56 HB2 SER 8 2HB SER 8 -5.521 -4.928 5.493 57 HB3 SER 8 1HB SER 8 -4.054 -4.231 4.818 58 HG SER 8 HG SER 8 -3.676 -6.295 5.719 59 H ALA 9 H ALA 9 -5.656 -1.140 7.486 60 HA ALA 9 HA ALA 9 -6.187 0.941 6.533 61 HB1 ALA 9 1HB ALA 9 -3.529 0.317 5.209 62 HB2 ALA 9 2HB ALA 9 -3.739 1.025 6.810 63 HB3 ALA 9 3HB ALA 9 -4.232 1.925 5.376 64 H GLY 10 H GLY 10 -7.862 -0.595 5.348 65 HA2 GLY 10 2HA GLY 10 -9.209 -0.694 3.423 66 HA3 GLY 10 1HA GLY 10 -8.019 0.298 2.582 67 H GLY 11 H GLY 11 -6.825 -2.567 4.166 68 HA2 GLY 11 2HA GLY 11 -5.803 -4.477 3.315 69 HA3 GLY 11 1HA GLY 11 -7.202 -4.581 2.246 70 H ALA 12 H ALA 12 -4.687 -2.068 2.373 71 HA ALA 12 HA ALA 12 -3.349 -2.978 -0.071 72 HB1 ALA 12 1HB ALA 12 -4.100 -1.004 -1.400 73 HB2 ALA 12 2HB ALA 12 -5.194 -0.564 -0.090 74 HB3 ALA 12 3HB ALA 12 -5.441 -2.068 -0.977 75 H VAL 13 H VAL 13 -4.065 0.042 1.754 76 HA VAL 13 HA VAL 13 -1.546 1.311 1.392 77 HB VAL 13 HB VAL 13 -3.636 1.434 3.580 78 HG11 VAL 13 1HG1 VAL 13 -1.166 3.117 3.155 79 HG12 VAL 13 2HG1 VAL 13 -1.709 2.329 4.637 80 HG13 VAL 13 3HG1 VAL 13 -2.577 3.733 4.016 81 HG21 VAL 13 3HG2 VAL 13 -4.142 3.617 2.394 82 HG22 VAL 13 1HG2 VAL 13 -4.482 2.168 1.450 83 HG23 VAL 13 2HG2 VAL 13 -3.024 3.106 1.130 84 H PHE 14 H PHE 14 -2.557 -1.127 3.792 85 HA PHE 14 HA PHE 14 -0.299 -0.968 5.551 86 HB2 PHE 14 2HB PHE 14 -2.325 -2.169 6.136 87 HB3 PHE 14 1HB PHE 14 -2.154 -3.234 4.743 88 HD1 PHE 14 2HD PHE 14 -0.098 -2.100 7.688 89 HD2 PHE 14 1HD PHE 14 -1.285 -5.350 5.145 90 HE1 PHE 14 2HE PHE 14 1.270 -3.660 9.041 91 HE2 PHE 14 1HE PHE 14 0.084 -6.910 6.500 92 HZ PHE 14 HZ PHE 14 1.363 -6.066 8.447 93 H VAL 15 H VAL 15 -0.903 -3.127 2.746 94 HA VAL 15 HA VAL 15 1.616 -4.470 2.730 95 HB VAL 15 HB VAL 15 -0.416 -3.798 0.576 96 HG11 VAL 15 1HG1 VAL 15 0.727 -5.783 -0.627 97 HG12 VAL 15 2HG1 VAL 15 2.103 -5.460 0.428 98 HG13 VAL 15 3HG1 VAL 15 1.541 -4.219 -0.692 99 HG21 VAL 15 3HG2 VAL 15 -1.048 -5.322 2.499 100 HG22 VAL 15 1HG2 VAL 15 0.213 -6.427 1.953 101 HG23 VAL 15 2HG2 VAL 15 -1.162 -6.071 0.908 102 H GLY 16 H GLY 16 0.599 -1.385 1.242 103 HA2 GLY 16 2HA GLY 16 2.948 -0.906 -0.309 104 HA3 GLY 16 1HA GLY 16 1.851 0.345 0.276 105 H LEU 17 H LEU 17 2.147 -0.090 3.072 106 HA LEU 17 HA LEU 17 4.567 1.398 3.623 107 HB2 LEU 17 2HB LEU 17 2.213 0.339 5.044 108 HB3 LEU 17 1HB LEU 17 3.670 0.387 6.035 109 HG LEU 17 HG LEU 17 3.931 2.805 5.003 110 HD11 LEU 17 1HD1 LEU 17 0.929 2.391 4.883 111 HD12 LEU 17 2HD1 LEU 17 1.978 2.503 3.469 112 HD13 LEU 17 3HD1 LEU 17 1.800 3.887 4.547 113 HD21 LEU 17 3HD2 LEU 17 1.763 2.367 7.070 114 HD22 LEU 17 1HD2 LEU 17 2.918 3.695 6.971 115 HD23 LEU 17 2HD2 LEU 17 3.467 2.083 7.426 116 H VAL 18 H VAL 18 3.634 -2.021 4.125 117 HA VAL 18 HA VAL 18 6.057 -2.845 5.452 118 HB VAL 18 HB VAL 18 4.069 -4.396 3.739 119 HG11 VAL 18 1HG1 VAL 18 6.491 -5.328 4.572 120 HG12 VAL 18 2HG1 VAL 18 5.063 -6.346 4.395 121 HG13 VAL 18 3HG1 VAL 18 5.501 -5.711 5.980 122 HG21 VAL 18 3HG2 VAL 18 3.604 -3.046 6.115 123 HG22 VAL 18 1HG2 VAL 18 3.980 -4.678 6.668 124 HG23 VAL 18 2HG2 VAL 18 2.663 -4.415 5.528 125 H LEU 19 H LEU 19 5.084 -2.685 2.026 126 HA LEU 19 HA LEU 19 7.458 -3.921 0.915 127 HB2 LEU 19 2HB LEU 19 5.272 -3.681 -0.244 128 HB3 LEU 19 1HB LEU 19 5.457 -1.930 -0.228 129 HG LEU 19 HG LEU 19 7.802 -3.228 -1.379 130 HD11 LEU 19 1HD1 LEU 19 6.715 -4.026 -3.438 131 HD12 LEU 19 2HD1 LEU 19 5.131 -3.678 -2.747 132 HD13 LEU 19 3HD1 LEU 19 6.142 -4.939 -2.043 133 HD21 LEU 19 3HD2 LEU 19 5.741 -1.277 -2.466 134 HD22 LEU 19 1HD2 LEU 19 7.306 -1.623 -3.201 135 HD23 LEU 19 2HD2 LEU 19 7.229 -0.839 -1.624 136 H LEU 20 H LEU 20 6.593 -0.559 1.772 137 HA LEU 20 HA LEU 20 8.869 0.715 0.586 138 HB2 LEU 20 2HB LEU 20 6.792 1.815 1.507 139 HB3 LEU 20 1HB LEU 20 7.362 1.436 3.131 140 HG LEU 20 HG LEU 20 9.372 2.796 1.459 141 HD11 LEU 20 1HD1 LEU 20 6.859 4.274 2.302 142 HD12 LEU 20 2HD1 LEU 20 7.326 3.920 0.639 143 HD13 LEU 20 3HD1 LEU 20 8.309 5.009 1.617 144 HD21 LEU 20 3HD2 LEU 20 8.183 3.371 4.196 145 HD22 LEU 20 1HD2 LEU 20 9.651 4.093 3.536 146 HD23 LEU 20 2HD2 LEU 20 9.601 2.367 3.894 147 H THR 21 H THR 21 8.368 -1.044 3.609 148 HA THR 21 HA THR 21 11.184 -0.579 4.448 149 HB THR 21 HB THR 21 8.971 -2.020 5.943 150 HG1 THR 21 1HG THR 21 8.029 -0.129 5.879 151 HG21 THR 21 3HG2 THR 21 10.354 -0.887 7.867 152 HG22 THR 21 1HG2 THR 21 11.623 -0.807 6.644 153 HG23 THR 21 2HG2 THR 21 10.949 -2.368 7.115 154 H LEU 22 H LEU 22 10.372 -2.303 2.137 155 HA LEU 22 HA LEU 22 10.995 -4.313 1.176 156 HB2 LEU 22 2HB LEU 22 12.988 -3.586 2.764 157 HB3 LEU 22 1HB LEU 22 12.526 -5.059 3.613 158 HG LEU 22 HG LEU 22 12.820 -5.168 0.634 159 HD11 LEU 22 1HD1 LEU 22 15.139 -5.254 2.588 160 HD12 LEU 22 2HD1 LEU 22 14.849 -3.990 1.392 161 HD13 LEU 22 3HD1 LEU 22 15.232 -5.630 0.867 162 HD21 LEU 22 3HD2 LEU 22 13.628 -7.463 1.220 163 HD22 LEU 22 1HD2 LEU 22 12.011 -7.138 1.847 164 HD23 LEU 22 2HD2 LEU 22 13.405 -7.076 2.926 165 H SER 23 H SER 23 8.817 -5.008 1.394 166 HA SER 23 HA SER 23 7.823 -6.544 3.650 167 HB2 SER 23 2HB SER 23 6.423 -5.327 1.978 168 HB3 SER 23 1HB SER 23 6.918 -6.492 0.755 169 HG SER 23 HG SER 23 5.210 -7.523 1.500 170 HA PRO 24 HA PRO 24 9.763 -10.404 2.570 171 HB2 PRO 24 2HB PRO 24 8.350 -12.051 4.229 172 HB3 PRO 24 1HB PRO 24 9.610 -10.943 4.809 173 HG2 PRO 24 2HG PRO 24 6.672 -10.700 4.970 174 HG3 PRO 24 1HG PRO 24 7.921 -10.126 6.083 175 HD2 PRO 24 2HD PRO 24 6.548 -8.555 4.259 176 HD3 PRO 24 1HD PRO 24 8.081 -8.125 5.045 177 H HIS 25 H HIS 25 8.889 -10.427 0.368 178 HA HIS 25 HA HIS 25 6.224 -11.600 -0.123 179 HB2 HIS 25 2HB HIS 25 7.879 -9.807 -1.425 180 HB3 HIS 25 1HB HIS 25 8.087 -11.274 -2.382 181 HD1 HIS 25 1HD HIS 25 5.920 -8.427 -2.102 182 HD2 HIS 25 2HD HIS 25 5.338 -12.451 -3.025 183 HE1 HIS 25 1HE HIS 25 3.680 -8.576 -3.270 184 H TYR 26 H TYR 26 9.648 -12.530 -0.649 185 HA TYR 26 HA TYR 26 8.740 -15.343 -1.177 186 HB2 TYR 26 2HB TYR 26 10.835 -13.538 -2.286 187 HB3 TYR 26 1HB TYR 26 11.282 -15.233 -2.112 188 HD1 TYR 26 2HD TYR 26 9.934 -17.011 -3.244 189 HD2 TYR 26 1HD TYR 26 9.241 -12.828 -3.941 190 HE1 TYR 26 2HE TYR 26 8.653 -17.563 -5.294 191 HE2 TYR 26 1HE TYR 26 7.961 -13.382 -5.990 192 HH TYR 26 HH TYR 26 8.135 -15.896 -7.643 193 H LYS 27 H LYS 27 8.743 -14.930 1.440 194 HA LYS 27 HA LYS 27 11.380 -15.966 2.430 195 HB2 LYS 27 2HB LYS 27 10.588 -13.502 2.918 196 HB3 LYS 27 1HB LYS 27 9.539 -14.276 4.105 197 HG2 LYS 27 2HG LYS 27 12.440 -15.035 4.038 198 HG3 LYS 27 1HG LYS 27 11.982 -13.501 4.773 199 HD2 LYS 27 2HD LYS 27 11.486 -14.641 6.653 200 HD3 LYS 27 1HD LYS 27 10.127 -15.349 5.783 201 HE2 LYS 27 2HE LYS 27 11.287 -17.266 6.486 202 HE3 LYS 27 1HE LYS 27 11.968 -17.023 4.868 203 HZ1 LYS 27 3HZ LYS 27 13.703 -17.292 6.566 204 HZ2 LYS 27 1HZ LYS 27 13.130 -15.917 7.375 205 HZ3 LYS 27 2HZ LYS 27 13.781 -15.773 5.809 Start of MODEL 37 1 H1 MET 1 1HT MET 1 -3.571 -19.228 19.257 2 H2 MET 1 2HT MET 1 -3.724 -20.171 17.854 3 H3 MET 1 3HT MET 1 -5.082 -19.864 18.821 4 HA MET 1 HA MET 1 -5.073 -18.508 16.784 5 HB2 MET 1 2HB MET 1 -5.598 -16.429 17.986 6 HB3 MET 1 1HB MET 1 -6.210 -17.823 18.867 7 HG2 MET 1 2HG MET 1 -5.011 -17.239 20.680 8 HG3 MET 1 1HG MET 1 -3.518 -17.259 19.744 9 HE1 MET 1 2HE MET 1 -2.166 -15.641 20.254 10 HE2 MET 1 3HE MET 1 -2.958 -15.090 21.727 11 HE3 MET 1 1HE MET 1 -2.449 -13.921 20.496 12 H ASP 2 H ASP 2 -4.025 -16.933 15.497 13 HA ASP 2 HA ASP 2 -1.285 -16.051 16.298 14 HB2 ASP 2 2HB ASP 2 -1.643 -18.273 14.813 15 HB3 ASP 2 1HB ASP 2 -1.687 -17.067 13.526 16 H ARG 3 H ARG 3 -0.448 -14.461 14.500 17 HA ARG 3 HA ARG 3 -2.725 -12.694 13.650 18 HB2 ARG 3 2HB ARG 3 -1.081 -11.977 15.464 19 HB3 ARG 3 1HB ARG 3 0.148 -11.927 14.203 20 HG2 ARG 3 2HG ARG 3 -0.584 -9.928 13.488 21 HG3 ARG 3 1HG ARG 3 -2.222 -10.546 13.303 22 HD2 ARG 3 2HD ARG 3 -2.567 -8.899 14.921 23 HD3 ARG 3 1HD ARG 3 -2.254 -10.301 15.961 24 HE ARG 3 HE ARG 3 -0.243 -9.262 16.616 25 HH11 ARG 3 1HH1 ARG 3 -1.526 -6.738 15.247 26 HH12 ARG 3 2HH1 ARG 3 -0.161 -6.168 14.348 27 HH21 ARG 3 1HH2 ARG 3 1.645 -9.128 14.727 28 HH22 ARG 3 2HH2 ARG 3 1.654 -7.531 14.058 29 H GLU 4 H GLU 4 -2.997 -13.549 11.529 30 HA GLU 4 HA GLU 4 -0.663 -13.754 9.716 31 HB2 GLU 4 2HB GLU 4 -3.632 -14.324 9.483 32 HB3 GLU 4 1HB GLU 4 -2.513 -14.519 8.133 33 HG2 GLU 4 2HG GLU 4 -1.149 -16.073 9.528 34 HG3 GLU 4 1HG GLU 4 -2.350 -15.935 10.810 35 H MET 5 H MET 5 -3.836 -12.048 9.594 36 HA MET 5 HA MET 5 -2.908 -10.209 7.530 37 HB2 MET 5 2HB MET 5 -5.146 -9.232 7.794 38 HB3 MET 5 1HB MET 5 -5.248 -10.985 7.730 39 HG2 MET 5 2HG MET 5 -5.058 -10.677 10.402 40 HG3 MET 5 1HG MET 5 -5.798 -9.130 9.996 41 HE1 MET 5 3HE MET 5 -7.913 -12.683 11.024 42 HE2 MET 5 1HE MET 5 -7.593 -11.150 11.852 43 HE3 MET 5 2HE MET 5 -6.256 -12.163 11.316 44 H ALA 6 H ALA 6 -3.398 -9.993 11.056 45 HA ALA 6 HA ALA 6 -2.825 -8.348 12.629 46 HB1 ALA 6 1HB ALA 6 -0.685 -9.354 11.507 47 HB2 ALA 6 2HB ALA 6 -0.527 -7.940 12.547 48 HB3 ALA 6 3HB ALA 6 -0.523 -7.749 10.795 49 H ALA 7 H ALA 7 -4.727 -7.340 10.763 50 HA ALA 7 HA ALA 7 -5.678 -5.339 10.018 51 HB1 ALA 7 1HB ALA 7 -5.201 -3.439 11.356 52 HB2 ALA 7 2HB ALA 7 -3.543 -3.959 11.653 53 HB3 ALA 7 3HB ALA 7 -4.886 -4.812 12.418 54 H SER 8 H SER 8 -4.986 -5.653 7.848 55 HA SER 8 HA SER 8 -2.395 -4.496 6.980 56 HB2 SER 8 2HB SER 8 -4.492 -5.762 5.226 57 HB3 SER 8 1HB SER 8 -2.751 -5.718 4.997 58 HG SER 8 HG SER 8 -2.619 -7.084 6.895 59 H ALA 9 H ALA 9 -4.854 -2.781 7.835 60 HA ALA 9 HA ALA 9 -6.063 -0.908 7.078 61 HB1 ALA 9 1HB ALA 9 -3.556 -0.363 7.214 62 HB2 ALA 9 2HB ALA 9 -4.551 0.736 6.257 63 HB3 ALA 9 3HB ALA 9 -3.554 -0.473 5.454 64 H GLY 10 H GLY 10 -7.403 -2.598 5.808 65 HA2 GLY 10 2HA GLY 10 -8.714 -2.974 3.902 66 HA3 GLY 10 1HA GLY 10 -7.931 -1.581 3.160 67 H GLY 11 H GLY 11 -5.762 -4.030 4.312 68 HA2 GLY 11 2HA GLY 11 -4.296 -5.445 3.194 69 HA3 GLY 11 1HA GLY 11 -5.672 -5.863 2.175 70 H ALA 12 H ALA 12 -4.311 -2.618 2.434 71 HA ALA 12 HA ALA 12 -2.853 -2.836 -0.129 72 HB1 ALA 12 1HB ALA 12 -5.303 -1.079 0.267 73 HB2 ALA 12 2HB ALA 12 -5.221 -2.508 -0.763 74 HB3 ALA 12 3HB ALA 12 -4.268 -1.077 -1.161 75 H VAL 13 H VAL 13 -4.294 -0.387 2.082 76 HA VAL 13 HA VAL 13 -2.259 1.585 1.848 77 HB VAL 13 HB VAL 13 -4.152 0.837 4.101 78 HG11 VAL 13 1HG1 VAL 13 -2.641 3.440 3.745 79 HG12 VAL 13 2HG1 VAL 13 -2.210 2.197 4.920 80 HG13 VAL 13 3HG1 VAL 13 -3.757 3.033 5.048 81 HG21 VAL 13 3HG2 VAL 13 -5.293 1.498 2.061 82 HG22 VAL 13 1HG2 VAL 13 -4.246 2.907 1.886 83 HG23 VAL 13 2HG2 VAL 13 -5.403 2.826 3.216 84 H PHE 14 H PHE 14 -2.469 -1.284 3.962 85 HA PHE 14 HA PHE 14 0.027 -0.624 5.388 86 HB2 PHE 14 2HB PHE 14 -2.162 -1.933 6.120 87 HB3 PHE 14 1HB PHE 14 -1.311 -3.310 5.423 88 HD1 PHE 14 1HD PHE 14 0.877 -4.037 6.350 89 HD2 PHE 14 2HD PHE 14 -1.408 -0.882 8.161 90 HE1 PHE 14 1HE PHE 14 2.246 -4.226 8.406 91 HE2 PHE 14 2HE PHE 14 -0.037 -1.073 10.218 92 HZ PHE 14 HZ PHE 14 1.790 -2.744 10.340 93 H VAL 15 H VAL 15 -1.051 -2.789 2.777 94 HA VAL 15 HA VAL 15 1.239 -4.451 2.516 95 HB VAL 15 HB VAL 15 -0.728 -3.359 0.471 96 HG11 VAL 15 1HG1 VAL 15 1.031 -4.190 -0.859 97 HG12 VAL 15 2HG1 VAL 15 -0.061 -5.567 -0.723 98 HG13 VAL 15 3HG1 VAL 15 1.394 -5.495 0.271 99 HG21 VAL 15 3HG2 VAL 15 -1.736 -5.656 0.776 100 HG22 VAL 15 1HG2 VAL 15 -1.838 -4.633 2.210 101 HG23 VAL 15 2HG2 VAL 15 -0.621 -5.904 2.119 102 H GLY 16 H GLY 16 0.574 -1.231 1.090 103 HA2 GLY 16 2HA GLY 16 2.963 -1.054 -0.482 104 HA3 GLY 16 1HA GLY 16 2.000 0.320 0.059 105 H LEU 17 H LEU 17 2.226 0.022 2.847 106 HA LEU 17 HA LEU 17 4.768 1.256 3.392 107 HB2 LEU 17 2HB LEU 17 2.322 0.971 4.649 108 HB3 LEU 17 1HB LEU 17 3.378 -0.016 5.658 109 HG LEU 17 HG LEU 17 4.198 2.761 4.808 110 HD11 LEU 17 1HD1 LEU 17 3.243 3.647 6.860 111 HD12 LEU 17 2HD1 LEU 17 2.669 2.046 7.327 112 HD13 LEU 17 3HD1 LEU 17 1.963 2.865 5.932 113 HD21 LEU 17 3HD2 LEU 17 5.429 2.544 7.041 114 HD22 LEU 17 1HD2 LEU 17 5.984 1.468 5.758 115 HD23 LEU 17 2HD2 LEU 17 4.943 0.849 7.041 116 H VAL 18 H VAL 18 3.604 -2.107 3.901 117 HA VAL 18 HA VAL 18 5.880 -3.102 5.317 118 HB VAL 18 HB VAL 18 3.877 -4.363 3.413 119 HG11 VAL 18 1HG1 VAL 18 6.110 -5.635 5.002 120 HG12 VAL 18 2HG1 VAL 18 5.684 -5.891 3.309 121 HG13 VAL 18 3HG1 VAL 18 4.651 -6.534 4.584 122 HG21 VAL 18 3HG2 VAL 18 4.150 -4.702 6.407 123 HG22 VAL 18 1HG2 VAL 18 2.755 -5.071 5.393 124 HG23 VAL 18 2HG2 VAL 18 3.203 -3.393 5.701 125 H LEU 19 H LEU 19 5.221 -2.918 1.807 126 HA LEU 19 HA LEU 19 7.685 -4.118 0.914 127 HB2 LEU 19 2HB LEU 19 5.318 -3.344 -0.203 128 HB3 LEU 19 1HB LEU 19 6.360 -2.028 -0.736 129 HG LEU 19 HG LEU 19 7.987 -3.758 -1.584 130 HD11 LEU 19 1HD1 LEU 19 7.012 -6.054 -1.944 131 HD12 LEU 19 2HD1 LEU 19 5.678 -5.599 -0.884 132 HD13 LEU 19 3HD1 LEU 19 7.323 -5.671 -0.251 133 HD21 LEU 19 3HD2 LEU 19 5.157 -3.732 -2.680 134 HD22 LEU 19 1HD2 LEU 19 6.541 -4.392 -3.551 135 HD23 LEU 19 2HD2 LEU 19 6.488 -2.675 -3.152 136 H LEU 20 H LEU 20 6.705 -0.784 1.626 137 HA LEU 20 HA LEU 20 8.986 0.638 0.681 138 HB2 LEU 20 2HB LEU 20 6.593 1.066 2.215 139 HB3 LEU 20 1HB LEU 20 7.930 1.835 3.061 140 HG LEU 20 HG LEU 20 8.575 2.826 0.767 141 HD11 LEU 20 1HD1 LEU 20 5.666 2.340 0.133 142 HD12 LEU 20 2HD1 LEU 20 6.909 1.203 -0.387 143 HD13 LEU 20 3HD1 LEU 20 6.953 2.874 -0.947 144 HD21 LEU 20 3HD2 LEU 20 6.061 3.594 2.272 145 HD22 LEU 20 1HD2 LEU 20 6.760 4.603 1.005 146 HD23 LEU 20 2HD2 LEU 20 7.681 4.260 2.469 147 H THR 21 H THR 21 8.331 -0.905 3.838 148 HA THR 21 HA THR 21 10.839 -0.087 5.072 149 HB THR 21 HB THR 21 8.914 -2.331 5.780 150 HG1 THR 21 1HG THR 21 7.604 -0.797 6.310 151 HG21 THR 21 3HG2 THR 21 11.161 -2.286 6.944 152 HG22 THR 21 1HG2 THR 21 9.771 -2.125 8.016 153 HG23 THR 21 2HG2 THR 21 10.719 -0.703 7.583 154 H LEU 22 H LEU 22 9.756 -2.901 3.209 155 HA LEU 22 HA LEU 22 11.872 -4.725 3.791 156 HB2 LEU 22 2HB LEU 22 9.685 -5.179 2.655 157 HB3 LEU 22 1HB LEU 22 10.301 -4.357 1.223 158 HG LEU 22 HG LEU 22 12.108 -6.438 2.278 159 HD11 LEU 22 1HD1 LEU 22 10.810 -8.334 1.635 160 HD12 LEU 22 2HD1 LEU 22 9.550 -7.322 0.928 161 HD13 LEU 22 3HD1 LEU 22 9.763 -7.369 2.678 162 HD21 LEU 22 3HD2 LEU 22 12.506 -6.814 -0.015 163 HD22 LEU 22 1HD2 LEU 22 12.133 -5.090 0.040 164 HD23 LEU 22 2HD2 LEU 22 10.905 -6.242 -0.483 165 H SER 23 H SER 23 11.668 -2.075 1.392 166 HA SER 23 HA SER 23 14.576 -2.529 0.786 167 HB2 SER 23 2HB SER 23 13.930 -1.648 -1.514 168 HB3 SER 23 1HB SER 23 13.283 -3.227 -1.101 169 HG SER 23 HG SER 23 11.312 -2.380 -0.967 170 HA PRO 24 HA PRO 24 14.003 1.860 2.128 171 HB2 PRO 24 2HB PRO 24 15.410 1.770 4.467 172 HB3 PRO 24 1HB PRO 24 13.691 1.352 4.353 173 HG2 PRO 24 2HG PRO 24 15.987 -0.381 4.795 174 HG3 PRO 24 1HG PRO 24 14.270 -0.685 5.081 175 HD2 PRO 24 2HD PRO 24 15.900 -1.556 2.875 176 HD3 PRO 24 1HD PRO 24 14.202 -1.944 3.222 177 H HIS 25 H HIS 25 15.810 1.102 0.126 178 HA HIS 25 HA HIS 25 18.113 2.827 0.690 179 HB2 HIS 25 2HB HIS 25 18.484 0.423 1.655 180 HB3 HIS 25 1HB HIS 25 18.738 -0.032 -0.031 181 HD1 HIS 25 1HD HIS 25 20.743 1.147 -1.291 182 HD2 HIS 25 2HD HIS 25 20.587 1.890 2.810 183 HE1 HIS 25 1HE HIS 25 22.988 2.134 -0.654 184 H TYR 26 H TYR 26 16.880 3.799 -1.169 185 HA TYR 26 HA TYR 26 16.623 4.309 -3.446 186 HB2 TYR 26 2HB TYR 26 19.188 2.685 -3.573 187 HB3 TYR 26 1HB TYR 26 18.630 3.813 -4.804 188 HD1 TYR 26 2HD TYR 26 18.550 6.256 -4.336 189 HD2 TYR 26 1HD TYR 26 20.163 3.456 -1.504 190 HE1 TYR 26 2HE TYR 26 19.628 8.119 -3.105 191 HE2 TYR 26 1HE TYR 26 21.241 5.317 -0.274 192 HH TYR 26 HH TYR 26 20.572 8.063 -0.148 193 H LYS 27 H LYS 27 14.761 2.648 -3.125 194 HA LYS 27 HA LYS 27 13.393 1.007 -4.069 195 HB2 LYS 27 2HB LYS 27 15.322 1.840 -6.131 196 HB3 LYS 27 1HB LYS 27 14.648 0.239 -6.417 197 HG2 LYS 27 2HG LYS 27 12.541 2.006 -5.563 198 HG3 LYS 27 1HG LYS 27 13.416 2.746 -6.903 199 HD2 LYS 27 2HD LYS 27 13.228 0.434 -8.049 200 HD3 LYS 27 1HD LYS 27 11.992 0.088 -6.838 201 HE2 LYS 27 2HE LYS 27 10.772 2.165 -7.553 202 HE3 LYS 27 1HE LYS 27 11.956 2.357 -8.861 203 HZ1 LYS 27 3HZ LYS 27 10.071 1.108 -9.668 204 HZ2 LYS 27 1HZ LYS 27 10.215 -0.012 -8.404 205 HZ3 LYS 27 2HZ LYS 27 11.428 0.086 -9.593 Start of MODEL 38 1 H1 MET 1 1HT MET 1 -12.133 -15.574 4.621 2 H2 MET 1 2HT MET 1 -12.356 -13.947 5.047 3 H3 MET 1 3HT MET 1 -12.092 -15.113 6.253 4 HA MET 1 HA MET 1 -10.121 -13.676 5.703 5 HB2 MET 1 2HB MET 1 -8.612 -15.670 5.767 6 HB3 MET 1 1HB MET 1 -9.939 -15.781 6.915 7 HG2 MET 1 2HG MET 1 -10.523 -16.949 4.261 8 HG3 MET 1 1HG MET 1 -9.239 -17.761 5.153 9 HE1 MET 1 2HE MET 1 -10.583 -20.029 5.439 10 HE2 MET 1 3HE MET 1 -11.650 -19.214 4.300 11 HE3 MET 1 1HE MET 1 -12.321 -20.031 5.722 12 H ASP 2 H ASP 2 -10.908 -12.705 3.538 13 HA ASP 2 HA ASP 2 -10.137 -14.076 1.074 14 HB2 ASP 2 2HB ASP 2 -11.486 -11.606 1.934 15 HB3 ASP 2 1HB ASP 2 -10.507 -11.400 0.480 16 H ARG 3 H ARG 3 -8.194 -13.963 0.046 17 HA ARG 3 HA ARG 3 -6.066 -12.180 1.181 18 HB2 ARG 3 2HB ARG 3 -6.067 -14.849 -0.232 19 HB3 ARG 3 1HB ARG 3 -4.590 -13.923 0.027 20 HG2 ARG 3 2HG ARG 3 -5.144 -13.865 2.486 21 HG3 ARG 3 1HG ARG 3 -6.473 -14.975 2.157 22 HD2 ARG 3 2HD ARG 3 -3.622 -15.606 1.338 23 HD3 ARG 3 1HD ARG 3 -4.285 -16.075 2.915 24 HE ARG 3 HE ARG 3 -6.224 -17.013 1.261 25 HH11 ARG 3 1HH1 ARG 3 -4.382 -17.016 -1.056 26 HH12 ARG 3 2HH1 ARG 3 -3.652 -18.582 -0.969 27 HH21 ARG 3 1HH2 ARG 3 -4.606 -19.112 2.344 28 HH22 ARG 3 2HH2 ARG 3 -3.779 -19.784 0.979 29 H GLU 4 H GLU 4 -8.058 -12.515 -1.596 30 HA GLU 4 HA GLU 4 -6.088 -11.543 -3.550 31 HB2 GLU 4 2HB GLU 4 -9.105 -11.868 -3.717 32 HB3 GLU 4 1HB GLU 4 -7.996 -11.700 -5.078 33 HG2 GLU 4 2HG GLU 4 -6.843 -13.800 -4.328 34 HG3 GLU 4 1HG GLU 4 -8.089 -13.997 -3.099 35 H MET 5 H MET 5 -9.063 -10.248 -2.010 36 HA MET 5 HA MET 5 -8.708 -7.566 -3.097 37 HB2 MET 5 2HB MET 5 -10.447 -8.839 -0.974 38 HB3 MET 5 1HB MET 5 -10.514 -7.109 -1.305 39 HG2 MET 5 2HG MET 5 -12.059 -7.680 -2.870 40 HG3 MET 5 1HG MET 5 -10.665 -8.153 -3.838 41 HE1 MET 5 3HE MET 5 -13.899 -9.399 -2.013 42 HE2 MET 5 1HE MET 5 -12.622 -9.300 -0.787 43 HE3 MET 5 2HE MET 5 -13.302 -10.861 -1.231 44 H ALA 6 H ALA 6 -8.049 -9.118 0.051 45 HA ALA 6 HA ALA 6 -6.816 -8.437 1.921 46 HB1 ALA 6 1HB ALA 6 -5.315 -6.901 -0.216 47 HB2 ALA 6 2HB ALA 6 -5.134 -8.630 0.081 48 HB3 ALA 6 3HB ALA 6 -4.670 -7.468 1.324 49 H ALA 7 H ALA 7 -9.168 -6.816 1.430 50 HA ALA 7 HA ALA 7 -10.170 -4.796 2.058 51 HB1 ALA 7 1HB ALA 7 -9.242 -5.553 4.186 52 HB2 ALA 7 2HB ALA 7 -9.124 -3.797 4.075 53 HB3 ALA 7 3HB ALA 7 -7.696 -4.794 3.805 54 H SER 8 H SER 8 -9.814 -3.846 -0.058 55 HA SER 8 HA SER 8 -7.531 -2.374 -0.902 56 HB2 SER 8 2HB SER 8 -10.459 -1.858 -1.505 57 HB3 SER 8 1HB SER 8 -9.092 -1.338 -2.481 58 HG SER 8 HG SER 8 -8.598 -3.540 -2.822 59 H ALA 9 H ALA 9 -10.250 -1.372 1.172 60 HA ALA 9 HA ALA 9 -9.222 1.416 1.280 61 HB1 ALA 9 1HB ALA 9 -11.673 0.035 2.424 62 HB2 ALA 9 2HB ALA 9 -11.618 1.029 0.968 63 HB3 ALA 9 3HB ALA 9 -11.350 1.765 2.549 64 H GLY 10 H GLY 10 -7.270 -0.007 2.369 65 HA2 GLY 10 2HA GLY 10 -6.616 0.892 4.826 66 HA3 GLY 10 1HA GLY 10 -7.706 -0.422 5.262 67 H GLY 11 H GLY 11 -7.169 -2.570 4.153 68 HA2 GLY 11 2HA GLY 11 -4.630 -3.513 4.910 69 HA3 GLY 11 1HA GLY 11 -5.684 -4.333 3.763 70 H ALA 12 H ALA 12 -5.693 -2.381 1.684 71 HA ALA 12 HA ALA 12 -3.350 -3.041 0.202 72 HB1 ALA 12 1HB ALA 12 -4.160 -1.246 -1.315 73 HB2 ALA 12 2HB ALA 12 -5.260 -0.695 -0.052 74 HB3 ALA 12 3HB ALA 12 -5.477 -2.288 -0.776 75 H VAL 13 H VAL 13 -4.137 -0.074 2.047 76 HA VAL 13 HA VAL 13 -1.748 1.396 1.469 77 HB VAL 13 HB VAL 13 -3.627 1.401 3.862 78 HG11 VAL 13 1HG1 VAL 13 -2.780 3.711 4.245 79 HG12 VAL 13 2HG1 VAL 13 -1.570 3.457 2.987 80 HG13 VAL 13 3HG1 VAL 13 -1.520 2.497 4.467 81 HG21 VAL 13 3HG2 VAL 13 -4.769 1.924 1.771 82 HG22 VAL 13 1HG2 VAL 13 -3.498 3.064 1.324 83 HG23 VAL 13 2HG2 VAL 13 -4.561 3.415 2.687 84 H PHE 14 H PHE 14 -2.536 -0.964 4.028 85 HA PHE 14 HA PHE 14 -0.095 -0.746 5.533 86 HB2 PHE 14 2HB PHE 14 -2.045 -1.778 6.484 87 HB3 PHE 14 1HB PHE 14 -2.189 -2.902 5.138 88 HD1 PHE 14 2HD PHE 14 0.191 -1.910 7.867 89 HD2 PHE 14 1HD PHE 14 -1.274 -5.046 5.323 90 HE1 PHE 14 2HE PHE 14 1.598 -3.551 9.081 91 HE2 PHE 14 1HE PHE 14 0.132 -6.688 6.539 92 HZ PHE 14 HZ PHE 14 1.568 -5.941 8.417 93 H VAL 15 H VAL 15 -1.074 -2.884 2.831 94 HA VAL 15 HA VAL 15 1.271 -4.505 2.684 95 HB VAL 15 HB VAL 15 -0.698 -3.551 0.573 96 HG11 VAL 15 1HG1 VAL 15 1.376 -4.369 -0.492 97 HG12 VAL 15 2HG1 VAL 15 0.044 -5.495 -0.755 98 HG13 VAL 15 3HG1 VAL 15 1.276 -5.856 0.454 99 HG21 VAL 15 3HG2 VAL 15 -1.161 -5.140 2.756 100 HG22 VAL 15 1HG2 VAL 15 -0.714 -6.346 1.548 101 HG23 VAL 15 2HG2 VAL 15 -2.063 -5.251 1.246 102 H GLY 16 H GLY 16 0.508 -1.363 1.145 103 HA2 GLY 16 2HA GLY 16 2.906 -1.128 -0.400 104 HA3 GLY 16 1HA GLY 16 1.883 0.221 0.095 105 H LEU 17 H LEU 17 2.105 -0.143 2.926 106 HA LEU 17 HA LEU 17 4.521 1.302 3.511 107 HB2 LEU 17 2HB LEU 17 2.308 1.264 4.762 108 HB3 LEU 17 1HB LEU 17 2.779 -0.310 5.401 109 HG LEU 17 HG LEU 17 4.915 1.655 5.706 110 HD11 LEU 17 1HD1 LEU 17 3.839 3.067 7.367 111 HD12 LEU 17 2HD1 LEU 17 2.320 2.191 7.183 112 HD13 LEU 17 3HD1 LEU 17 2.933 3.182 5.859 113 HD21 LEU 17 3HD2 LEU 17 3.319 0.133 7.790 114 HD22 LEU 17 1HD2 LEU 17 4.964 0.751 7.944 115 HD23 LEU 17 2HD2 LEU 17 4.626 -0.592 6.852 116 H VAL 18 H VAL 18 3.614 -2.131 4.007 117 HA VAL 18 HA VAL 18 6.026 -3.000 5.285 118 HB VAL 18 HB VAL 18 3.987 -4.405 3.520 119 HG11 VAL 18 1HG1 VAL 18 5.846 -5.868 3.473 120 HG12 VAL 18 2HG1 VAL 18 4.872 -6.468 4.816 121 HG13 VAL 18 3HG1 VAL 18 6.301 -5.485 5.134 122 HG21 VAL 18 3HG2 VAL 18 2.697 -4.167 5.358 123 HG22 VAL 18 1HG2 VAL 18 4.040 -3.490 6.280 124 HG23 VAL 18 2HG2 VAL 18 3.813 -5.238 6.205 125 H LEU 19 H LEU 19 5.128 -2.742 1.837 126 HA LEU 19 HA LEU 19 7.502 -3.957 0.751 127 HB2 LEU 19 2HB LEU 19 5.422 -3.575 -0.519 128 HB3 LEU 19 1HB LEU 19 5.624 -1.833 -0.348 129 HG LEU 19 HG LEU 19 7.865 -2.095 -1.532 130 HD11 LEU 19 1HD1 LEU 19 8.256 -4.455 -1.264 131 HD12 LEU 19 2HD1 LEU 19 7.993 -4.169 -2.985 132 HD13 LEU 19 3HD1 LEU 19 6.703 -4.854 -1.997 133 HD21 LEU 19 3HD2 LEU 19 6.856 -2.032 -3.712 134 HD22 LEU 19 1HD2 LEU 19 5.685 -1.330 -2.596 135 HD23 LEU 19 2HD2 LEU 19 5.477 -2.986 -3.168 136 H LEU 20 H LEU 20 6.692 -0.621 1.724 137 HA LEU 20 HA LEU 20 9.087 0.646 0.744 138 HB2 LEU 20 2HB LEU 20 6.739 1.508 1.668 139 HB3 LEU 20 1HB LEU 20 7.630 1.593 3.187 140 HG LEU 20 HG LEU 20 9.439 2.767 1.562 141 HD11 LEU 20 1HD1 LEU 20 6.766 3.000 0.234 142 HD12 LEU 20 2HD1 LEU 20 8.372 2.900 -0.486 143 HD13 LEU 20 3HD1 LEU 20 7.820 4.414 0.230 144 HD21 LEU 20 3HD2 LEU 20 7.120 3.834 3.145 145 HD22 LEU 20 1HD2 LEU 20 8.108 4.967 2.223 146 HD23 LEU 20 2HD2 LEU 20 8.848 3.964 3.471 147 H THR 21 H THR 21 8.378 -1.215 3.664 148 HA THR 21 HA THR 21 10.583 -0.330 5.288 149 HB THR 21 HB THR 21 9.211 -3.035 5.300 150 HG1 THR 21 1HG THR 21 8.300 -0.498 6.087 151 HG21 THR 21 3HG2 THR 21 9.586 -2.706 7.802 152 HG22 THR 21 1HG2 THR 21 10.668 -1.384 7.361 153 HG23 THR 21 2HG2 THR 21 11.020 -3.028 6.827 154 H LEU 22 H LEU 22 10.256 -3.057 2.972 155 HA LEU 22 HA LEU 22 13.161 -3.670 3.336 156 HB2 LEU 22 2HB LEU 22 11.351 -5.412 3.631 157 HB3 LEU 22 1HB LEU 22 11.025 -5.266 1.905 158 HG LEU 22 HG LEU 22 13.563 -5.714 1.593 159 HD11 LEU 22 1HD1 LEU 22 13.122 -6.640 4.446 160 HD12 LEU 22 2HD1 LEU 22 14.300 -5.456 3.879 161 HD13 LEU 22 3HD1 LEU 22 14.483 -7.157 3.450 162 HD21 LEU 22 3HD2 LEU 22 13.181 -8.157 1.682 163 HD22 LEU 22 1HD2 LEU 22 11.787 -7.324 0.992 164 HD23 LEU 22 2HD2 LEU 22 11.737 -7.896 2.660 165 H SER 23 H SER 23 10.783 -2.814 0.793 166 HA SER 23 HA SER 23 13.012 -2.696 -1.202 167 HB2 SER 23 2HB SER 23 10.058 -3.149 -1.280 168 HB3 SER 23 1HB SER 23 10.820 -2.425 -2.689 169 HG SER 23 HG SER 23 11.284 -4.444 -3.129 170 HA PRO 24 HA PRO 24 12.355 1.756 -0.323 171 HB2 PRO 24 2HB PRO 24 14.874 2.535 -1.037 172 HB3 PRO 24 1HB PRO 24 14.475 1.899 0.571 173 HG2 PRO 24 2HG PRO 24 15.757 0.531 -1.733 174 HG3 PRO 24 1HG PRO 24 16.097 0.391 0.000 175 HD2 PRO 24 2HD PRO 24 14.664 -1.452 -1.397 176 HD3 PRO 24 1HD PRO 24 14.451 -1.147 0.340 177 H HIS 25 H HIS 25 12.957 3.706 -1.882 178 HA HIS 25 HA HIS 25 13.013 2.975 -4.755 179 HB2 HIS 25 2HB HIS 25 10.852 4.136 -5.147 180 HB3 HIS 25 1HB HIS 25 10.664 2.745 -4.088 181 HD1 HIS 25 1HD HIS 25 9.998 6.329 -4.283 182 HD2 HIS 25 2HD HIS 25 10.524 3.564 -1.210 183 HE1 HIS 25 1HE HIS 25 9.090 7.411 -2.183 184 H TYR 26 H TYR 26 14.924 4.449 -3.198 185 HA TYR 26 HA TYR 26 14.502 7.281 -4.092 186 HB2 TYR 26 2HB TYR 26 16.347 6.094 -1.999 187 HB3 TYR 26 1HB TYR 26 16.143 7.812 -2.331 188 HD1 TYR 26 1HD TYR 26 13.624 8.674 -2.258 189 HD2 TYR 26 2HD TYR 26 15.061 5.122 -0.315 190 HE1 TYR 26 1HE TYR 26 11.689 8.736 -0.709 191 HE2 TYR 26 2HE TYR 26 13.127 5.185 1.232 192 HH TYR 26 HH TYR 26 10.410 6.823 0.718 193 H LYS 27 H LYS 27 15.989 8.210 -5.492 194 HA LYS 27 HA LYS 27 18.361 6.567 -6.317 195 HB2 LYS 27 2HB LYS 27 16.164 6.824 -7.804 196 HB3 LYS 27 1HB LYS 27 16.906 8.364 -8.228 197 HG2 LYS 27 2HG LYS 27 18.410 5.744 -8.386 198 HG3 LYS 27 1HG LYS 27 17.475 6.374 -9.739 199 HD2 LYS 27 2HD LYS 27 19.698 7.905 -8.356 200 HD3 LYS 27 1HD LYS 27 19.915 6.966 -9.829 201 HE2 LYS 27 2HE LYS 27 19.300 8.806 -10.998 202 HE3 LYS 27 1HE LYS 27 17.671 8.621 -10.323 203 HZ1 LYS 27 3HZ LYS 27 18.242 9.942 -8.451 204 HZ2 LYS 27 1HZ LYS 27 18.768 10.797 -9.814 205 HZ3 LYS 27 2HZ LYS 27 19.891 9.954 -8.862 Start of MODEL 39 1 H1 MET 1 1HT MET 1 -4.791 -5.977 -10.548 2 H2 MET 1 2HT MET 1 -5.620 -6.061 -12.026 3 H3 MET 1 3HT MET 1 -3.925 -5.952 -12.005 4 HA MET 1 HA MET 1 -5.594 -8.260 -11.128 5 HB2 MET 1 2HB MET 1 -3.928 -7.490 -13.479 6 HB3 MET 1 1HB MET 1 -3.793 -9.162 -12.939 7 HG2 MET 1 2HG MET 1 -6.487 -7.866 -13.354 8 HG3 MET 1 1HG MET 1 -5.618 -8.629 -14.686 9 HE1 MET 1 2HE MET 1 -7.806 -11.601 -14.367 10 HE2 MET 1 3HE MET 1 -6.804 -10.570 -15.383 11 HE3 MET 1 1HE MET 1 -8.194 -9.890 -14.519 12 H ASP 2 H ASP 2 -4.757 -8.870 -9.148 13 HA ASP 2 HA ASP 2 -1.777 -9.161 -8.926 14 HB2 ASP 2 2HB ASP 2 -3.804 -8.124 -6.921 15 HB3 ASP 2 1HB ASP 2 -2.123 -8.474 -6.526 16 H ARG 3 H ARG 3 -1.600 -11.395 -9.078 17 HA ARG 3 HA ARG 3 -3.339 -13.059 -7.282 18 HB2 ARG 3 2HB ARG 3 -2.107 -13.561 -10.006 19 HB3 ARG 3 1HB ARG 3 -2.854 -14.832 -9.043 20 HG2 ARG 3 2HG ARG 3 -4.957 -13.444 -8.968 21 HG3 ARG 3 1HG ARG 3 -4.197 -12.334 -10.108 22 HD2 ARG 3 2HD ARG 3 -5.116 -13.676 -11.710 23 HD3 ARG 3 1HD ARG 3 -3.776 -14.775 -11.334 24 HE ARG 3 HE ARG 3 -6.558 -15.184 -10.570 25 HH11 ARG 3 1HH1 ARG 3 -4.470 -17.330 -11.128 26 HH12 ARG 3 2HH1 ARG 3 -4.253 -18.015 -9.554 27 HH21 ARG 3 1HH2 ARG 3 -5.777 -15.345 -7.905 28 HH22 ARG 3 2HH2 ARG 3 -4.998 -16.877 -7.710 29 H GLU 4 H GLU 4 -1.934 -15.409 -7.334 30 HA GLU 4 HA GLU 4 -0.179 -16.539 -6.265 31 HB2 GLU 4 2HB GLU 4 1.186 -14.348 -7.833 32 HB3 GLU 4 1HB GLU 4 2.099 -15.578 -6.965 33 HG2 GLU 4 2HG GLU 4 1.923 -16.636 -9.008 34 HG3 GLU 4 1HG GLU 4 0.430 -17.211 -8.269 35 H MET 5 H MET 5 -1.526 -14.814 -4.542 36 HA MET 5 HA MET 5 -1.372 -13.711 -2.479 37 HB2 MET 5 2HB MET 5 1.157 -15.332 -2.684 38 HB3 MET 5 1HB MET 5 0.800 -14.392 -1.240 39 HG2 MET 5 2HG MET 5 -0.294 -16.279 -0.577 40 HG3 MET 5 1HG MET 5 -1.585 -15.662 -1.605 41 HE1 MET 5 3HE MET 5 1.092 -18.295 -0.979 42 HE2 MET 5 1HE MET 5 1.929 -17.276 -2.163 43 HE3 MET 5 2HE MET 5 1.491 -18.931 -2.572 44 H ALA 6 H ALA 6 -1.263 -11.666 -3.795 45 HA ALA 6 HA ALA 6 1.398 -10.340 -3.892 46 HB1 ALA 6 1HB ALA 6 0.009 -10.233 -5.867 47 HB2 ALA 6 2HB ALA 6 0.051 -8.620 -5.155 48 HB3 ALA 6 3HB ALA 6 -1.365 -9.647 -4.928 49 H ALA 7 H ALA 7 0.291 -10.817 -1.254 50 HA ALA 7 HA ALA 7 -0.111 -9.749 0.780 51 HB1 ALA 7 1HB ALA 7 1.045 -7.645 1.029 52 HB2 ALA 7 2HB ALA 7 0.993 -7.359 -0.710 53 HB3 ALA 7 3HB ALA 7 1.986 -8.665 -0.060 54 H SER 8 H SER 8 -2.366 -9.760 0.921 55 HA SER 8 HA SER 8 -3.740 -7.211 0.133 56 HB2 SER 8 2HB SER 8 -4.094 -9.760 -0.958 57 HB3 SER 8 1HB SER 8 -5.441 -9.581 0.160 58 HG SER 8 HG SER 8 -6.057 -7.741 -0.910 59 H ALA 9 H ALA 9 -2.592 -8.228 2.790 60 HA ALA 9 HA ALA 9 -5.128 -8.310 4.390 61 HB1 ALA 9 1HB ALA 9 -2.323 -9.200 5.116 62 HB2 ALA 9 2HB ALA 9 -3.568 -10.265 4.463 63 HB3 ALA 9 3HB ALA 9 -3.797 -9.503 6.037 64 H GLY 10 H GLY 10 -3.173 -5.947 3.378 65 HA2 GLY 10 2HA GLY 10 -2.776 -4.686 6.058 66 HA3 GLY 10 1HA GLY 10 -1.922 -4.221 4.588 67 H GLY 11 H GLY 11 -5.416 -4.815 4.740 68 HA2 GLY 11 2HA GLY 11 -7.208 -3.404 4.242 69 HA3 GLY 11 1HA GLY 11 -6.329 -2.189 5.165 70 H ALA 12 H ALA 12 -5.027 -3.628 2.201 71 HA ALA 12 HA ALA 12 -4.357 -2.645 0.179 72 HB1 ALA 12 1HB ALA 12 -6.139 -1.363 -0.909 73 HB2 ALA 12 2HB ALA 12 -6.924 -1.091 0.646 74 HB3 ALA 12 3HB ALA 12 -6.841 -2.719 -0.027 75 H VAL 13 H VAL 13 -3.486 -1.388 2.728 76 HA VAL 13 HA VAL 13 -2.565 1.241 1.661 77 HB VAL 13 HB VAL 13 -3.967 0.667 4.301 78 HG11 VAL 13 1HG1 VAL 13 -2.188 2.091 4.947 79 HG12 VAL 13 2HG1 VAL 13 -3.535 3.194 4.664 80 HG13 VAL 13 3HG1 VAL 13 -2.268 3.017 3.449 81 HG21 VAL 13 3HG2 VAL 13 -5.518 1.164 2.513 82 HG22 VAL 13 1HG2 VAL 13 -4.541 2.529 1.973 83 HG23 VAL 13 2HG2 VAL 13 -5.392 2.608 3.516 84 H PHE 14 H PHE 14 -2.448 -0.855 4.558 85 HA PHE 14 HA PHE 14 0.247 -0.326 5.331 86 HB2 PHE 14 2HB PHE 14 -1.734 -1.435 6.567 87 HB3 PHE 14 1HB PHE 14 -1.258 -2.916 5.742 88 HD1 PHE 14 1HD PHE 14 0.097 -0.183 7.914 89 HD2 PHE 14 2HD PHE 14 0.490 -4.253 6.593 90 HE1 PHE 14 1HE PHE 14 1.874 -0.560 9.599 91 HE2 PHE 14 2HE PHE 14 2.267 -4.627 8.277 92 HZ PHE 14 HZ PHE 14 2.960 -2.781 9.782 93 H VAL 15 H VAL 15 -1.091 -2.543 2.914 94 HA VAL 15 HA VAL 15 1.031 -4.376 2.562 95 HB VAL 15 HB VAL 15 -1.028 -3.120 0.715 96 HG11 VAL 15 1HG1 VAL 15 0.725 -3.739 -0.807 97 HG12 VAL 15 2HG1 VAL 15 -0.448 -5.055 -0.846 98 HG13 VAL 15 3HG1 VAL 15 1.048 -5.234 0.071 99 HG21 VAL 15 3HG2 VAL 15 -1.663 -4.718 2.577 100 HG22 VAL 15 1HG2 VAL 15 -0.725 -5.957 1.744 101 HG23 VAL 15 2HG2 VAL 15 -2.136 -5.241 0.962 102 H GLY 16 H GLY 16 0.579 -1.173 0.989 103 HA2 GLY 16 2HA GLY 16 3.035 -1.200 -0.489 104 HA3 GLY 16 1HA GLY 16 2.106 0.245 -0.081 105 H LEU 17 H LEU 17 2.196 -0.018 2.769 106 HA LEU 17 HA LEU 17 4.655 1.284 3.418 107 HB2 LEU 17 2HB LEU 17 2.475 1.395 4.658 108 HB3 LEU 17 1HB LEU 17 2.760 -0.248 5.231 109 HG LEU 17 HG LEU 17 5.105 1.379 5.710 110 HD11 LEU 17 1HD1 LEU 17 3.540 3.269 5.775 111 HD12 LEU 17 2HD1 LEU 17 4.109 2.895 7.401 112 HD13 LEU 17 3HD1 LEU 17 2.499 2.388 6.893 113 HD21 LEU 17 3HD2 LEU 17 4.319 -0.783 6.823 114 HD22 LEU 17 1HD2 LEU 17 3.158 0.205 7.711 115 HD23 LEU 17 2HD2 LEU 17 4.888 0.476 7.919 116 H VAL 18 H VAL 18 3.643 -2.135 3.794 117 HA VAL 18 HA VAL 18 5.975 -3.087 5.167 118 HB VAL 18 HB VAL 18 3.978 -4.397 3.286 119 HG11 VAL 18 1HG1 VAL 18 6.190 -5.608 4.958 120 HG12 VAL 18 2HG1 VAL 18 5.866 -5.854 3.242 121 HG13 VAL 18 3HG1 VAL 18 4.780 -6.536 4.451 122 HG21 VAL 18 3HG2 VAL 18 2.839 -5.079 5.257 123 HG22 VAL 18 1HG2 VAL 18 3.276 -3.399 5.564 124 HG23 VAL 18 2HG2 VAL 18 4.220 -4.700 6.285 125 H LEU 19 H LEU 19 5.204 -2.841 1.684 126 HA LEU 19 HA LEU 19 7.611 -4.034 0.671 127 HB2 LEU 19 2HB LEU 19 5.232 -3.027 -0.332 128 HB3 LEU 19 1HB LEU 19 6.412 -1.860 -0.919 129 HG LEU 19 HG LEU 19 6.061 -3.704 -2.529 130 HD11 LEU 19 1HD1 LEU 19 8.316 -2.540 -2.201 131 HD12 LEU 19 2HD1 LEU 19 8.355 -4.104 -3.014 132 HD13 LEU 19 3HD1 LEU 19 8.815 -3.981 -1.316 133 HD21 LEU 19 3HD2 LEU 19 7.417 -5.565 -0.582 134 HD22 LEU 19 1HD2 LEU 19 6.475 -5.961 -2.020 135 HD23 LEU 19 2HD2 LEU 19 5.663 -5.382 -0.566 136 H LEU 20 H LEU 20 6.864 -0.777 1.813 137 HA LEU 20 HA LEU 20 9.234 0.531 0.759 138 HB2 LEU 20 2HB LEU 20 6.864 1.370 1.661 139 HB3 LEU 20 1HB LEU 20 7.732 1.459 3.188 140 HG LEU 20 HG LEU 20 7.761 3.610 1.961 141 HD11 LEU 20 1HD1 LEU 20 9.926 4.116 2.547 142 HD12 LEU 20 2HD1 LEU 20 10.586 2.661 1.801 143 HD13 LEU 20 3HD1 LEU 20 9.768 2.559 3.360 144 HD21 LEU 20 3HD2 LEU 20 8.747 3.866 -0.167 145 HD22 LEU 20 1HD2 LEU 20 7.825 2.372 -0.323 146 HD23 LEU 20 2HD2 LEU 20 9.569 2.308 -0.075 147 H THR 21 H THR 21 8.308 -0.757 3.980 148 HA THR 21 HA THR 21 10.815 -0.154 5.280 149 HB THR 21 HB THR 21 8.700 -2.252 5.885 150 HG1 THR 21 1HG THR 21 8.967 0.418 6.829 151 HG21 THR 21 3HG2 THR 21 10.509 -2.785 7.275 152 HG22 THR 21 1HG2 THR 21 9.550 -1.704 8.284 153 HG23 THR 21 2HG2 THR 21 10.988 -1.099 7.463 154 H LEU 22 H LEU 22 9.590 -3.005 3.522 155 HA LEU 22 HA LEU 22 12.241 -4.350 3.868 156 HB2 LEU 22 2HB LEU 22 9.405 -5.176 3.629 157 HB3 LEU 22 1HB LEU 22 10.545 -6.183 2.738 158 HG LEU 22 HG LEU 22 11.375 -5.457 5.490 159 HD11 LEU 22 1HD1 LEU 22 9.938 -7.290 6.444 160 HD12 LEU 22 2HD1 LEU 22 9.039 -7.304 4.926 161 HD13 LEU 22 3HD1 LEU 22 9.032 -5.861 5.941 162 HD21 LEU 22 3HD2 LEU 22 12.575 -7.011 3.873 163 HD22 LEU 22 1HD2 LEU 22 11.233 -8.137 4.078 164 HD23 LEU 22 2HD2 LEU 22 12.241 -7.704 5.459 165 H SER 23 H SER 23 12.254 -2.213 2.077 166 HA SER 23 HA SER 23 11.838 -3.279 -0.658 167 HB2 SER 23 2HB SER 23 12.504 -0.926 -1.266 168 HB3 SER 23 1HB SER 23 11.122 -1.010 -0.188 169 HG SER 23 HG SER 23 13.800 -0.282 0.344 170 HA PRO 24 HA PRO 24 16.107 -4.535 -0.916 171 HB2 PRO 24 2HB PRO 24 16.331 -4.708 -3.637 172 HB3 PRO 24 1HB PRO 24 15.480 -5.922 -2.658 173 HG2 PRO 24 2HG PRO 24 14.364 -3.668 -4.250 174 HG3 PRO 24 1HG PRO 24 13.775 -5.332 -4.082 175 HD2 PRO 24 2HD PRO 24 12.665 -3.264 -2.751 176 HD3 PRO 24 1HD PRO 24 12.732 -4.911 -2.083 177 H HIS 25 H HIS 25 17.928 -3.255 -0.819 178 HA HIS 25 HA HIS 25 18.219 -0.935 -2.656 179 HB2 HIS 25 2HB HIS 25 17.041 -0.555 -0.276 180 HB3 HIS 25 1HB HIS 25 18.720 -0.464 0.253 181 HD1 HIS 25 1HD HIS 25 20.243 1.211 -1.414 182 HD2 HIS 25 2HD HIS 25 16.129 1.866 -1.219 183 HE1 HIS 25 1HE HIS 25 19.852 3.563 -2.257 184 H TYR 26 H TYR 26 19.829 -2.755 -3.306 185 HA TYR 26 HA TYR 26 22.104 -3.494 -1.773 186 HB2 TYR 26 2HB TYR 26 21.248 -3.458 -4.584 187 HB3 TYR 26 1HB TYR 26 22.993 -3.313 -4.396 188 HD1 TYR 26 1HD TYR 26 20.046 -5.443 -3.757 189 HD2 TYR 26 2HD TYR 26 24.318 -5.112 -3.430 190 HE1 TYR 26 1HE TYR 26 20.198 -7.870 -3.275 191 HE2 TYR 26 2HE TYR 26 24.468 -7.539 -2.948 192 HH TYR 26 HH TYR 26 22.374 -9.329 -1.860 193 H LYS 27 H LYS 27 21.550 -0.606 -3.789 194 HA LYS 27 HA LYS 27 23.878 0.717 -2.473 195 HB2 LYS 27 2HB LYS 27 23.362 0.247 -5.408 196 HB3 LYS 27 1HB LYS 27 24.319 1.632 -4.882 197 HG2 LYS 27 2HG LYS 27 25.888 0.175 -3.725 198 HG3 LYS 27 1HG LYS 27 24.899 -1.238 -4.094 199 HD2 LYS 27 2HD LYS 27 25.266 -0.874 -6.507 200 HD3 LYS 27 1HD LYS 27 26.254 0.540 -6.143 201 HE2 LYS 27 2HE LYS 27 27.933 -1.055 -6.324 202 HE3 LYS 27 1HE LYS 27 27.555 -1.241 -4.602 203 HZ1 LYS 27 3HZ LYS 27 25.825 -2.902 -5.317 204 HZ2 LYS 27 1HZ LYS 27 27.431 -3.393 -5.535 205 HZ3 LYS 27 2HZ LYS 27 26.524 -2.862 -6.866 Start of MODEL 40 1 H1 MET 1 1HT MET 1 -10.162 -16.223 8.536 2 H2 MET 1 2HT MET 1 -10.125 -17.212 9.915 3 H3 MET 1 3HT MET 1 -10.714 -15.619 10.020 4 HA MET 1 HA MET 1 -11.990 -17.736 8.352 5 HB2 MET 1 2HB MET 1 -11.808 -18.040 10.943 6 HB3 MET 1 1HB MET 1 -12.971 -16.715 11.018 7 HG2 MET 1 2HG MET 1 -14.592 -17.957 9.753 8 HG3 MET 1 1HG MET 1 -13.414 -19.209 9.356 9 HE1 MET 1 2HE MET 1 -11.986 -20.363 11.810 10 HE2 MET 1 3HE MET 1 -12.879 -21.039 10.451 11 HE3 MET 1 1HE MET 1 -13.248 -21.554 12.106 12 H ASP 2 H ASP 2 -13.333 -16.743 6.907 13 HA ASP 2 HA ASP 2 -14.675 -15.137 5.856 14 HB2 ASP 2 2HB ASP 2 -15.653 -15.687 8.320 15 HB3 ASP 2 1HB ASP 2 -15.404 -13.952 8.490 16 H ARG 3 H ARG 3 -15.110 -12.403 7.328 17 HA ARG 3 HA ARG 3 -12.882 -11.030 6.038 18 HB2 ARG 3 2HB ARG 3 -15.457 -10.454 6.468 19 HB3 ARG 3 1HB ARG 3 -14.800 -9.694 7.916 20 HG2 ARG 3 2HG ARG 3 -13.048 -8.833 5.969 21 HG3 ARG 3 1HG ARG 3 -14.580 -8.870 5.097 22 HD2 ARG 3 2HD ARG 3 -14.944 -7.717 7.747 23 HD3 ARG 3 1HD ARG 3 -13.713 -6.830 6.826 24 HE ARG 3 HE ARG 3 -16.451 -7.410 5.751 25 HH11 ARG 3 1HH2 ARG 3 -14.239 -6.547 3.850 26 HH12 ARG 3 2HH2 ARG 3 -14.509 -4.840 3.756 27 HH21 ARG 3 1HH1 ARG 3 -16.542 -4.747 6.582 28 HH22 ARG 3 2HH1 ARG 3 -15.823 -3.813 5.315 29 H GLU 4 H GLU 4 -13.048 -9.011 8.478 30 HA GLU 4 HA GLU 4 -11.785 -8.487 10.357 31 HB2 GLU 4 2HB GLU 4 -11.587 -11.481 10.757 32 HB3 GLU 4 1HB GLU 4 -11.464 -10.229 11.985 33 HG2 GLU 4 2HG GLU 4 -13.929 -11.069 10.440 34 HG3 GLU 4 1HG GLU 4 -13.666 -11.145 12.179 35 H MET 5 H MET 5 -10.442 -9.649 7.648 36 HA MET 5 HA MET 5 -7.677 -9.299 8.677 37 HB2 MET 5 2HB MET 5 -8.677 -11.776 8.472 38 HB3 MET 5 1HB MET 5 -8.172 -11.560 6.796 39 HG2 MET 5 2HG MET 5 -5.902 -10.929 7.576 40 HG3 MET 5 1HG MET 5 -6.411 -11.212 9.241 41 HE1 MET 5 3HE MET 5 -3.902 -13.954 7.990 42 HE2 MET 5 1HE MET 5 -4.386 -13.358 9.588 43 HE3 MET 5 2HE MET 5 -4.052 -12.224 8.282 44 H ALA 6 H ALA 6 -9.797 -8.025 6.640 45 HA ALA 6 HA ALA 6 -7.821 -7.678 4.406 46 HB1 ALA 6 1HB ALA 6 -9.756 -9.142 3.852 47 HB2 ALA 6 2HB ALA 6 -9.746 -7.662 2.893 48 HB3 ALA 6 3HB ALA 6 -10.849 -7.819 4.260 49 H ALA 7 H ALA 7 -8.501 -6.005 6.910 50 HA ALA 7 HA ALA 7 -9.275 -3.469 5.499 51 HB1 ALA 7 1HB ALA 7 -10.856 -4.553 7.205 52 HB2 ALA 7 2HB ALA 7 -10.442 -2.861 7.486 53 HB3 ALA 7 3HB ALA 7 -9.652 -4.131 8.424 54 H SER 8 H SER 8 -6.543 -4.740 6.039 55 HA SER 8 HA SER 8 -5.194 -3.269 8.116 56 HB2 SER 8 2HB SER 8 -4.624 -5.184 5.998 57 HB3 SER 8 1HB SER 8 -3.353 -3.981 6.113 58 HG SER 8 HG SER 8 -2.774 -5.356 7.659 59 H ALA 9 H ALA 9 -5.225 -1.057 8.063 60 HA ALA 9 HA ALA 9 -5.091 1.160 7.284 61 HB1 ALA 9 1HB ALA 9 -3.013 1.537 6.028 62 HB2 ALA 9 2HB ALA 9 -2.946 -0.170 5.603 63 HB3 ALA 9 3HB ALA 9 -2.743 0.326 7.280 64 H GLY 10 H GLY 10 -7.278 0.325 6.199 65 HA2 GLY 10 2HA GLY 10 -8.755 0.734 4.420 66 HA3 GLY 10 1HA GLY 10 -7.427 1.513 3.559 67 H GLY 11 H GLY 11 -6.829 -1.698 4.714 68 HA2 GLY 11 2HA GLY 11 -6.384 -3.693 3.623 69 HA3 GLY 11 1HA GLY 11 -7.821 -3.344 2.662 70 H ALA 12 H ALA 12 -4.792 -1.466 2.797 71 HA ALA 12 HA ALA 12 -3.773 -2.465 0.251 72 HB1 ALA 12 1HB ALA 12 -5.444 0.043 0.398 73 HB2 ALA 12 2HB ALA 12 -5.544 -1.283 -0.760 74 HB3 ALA 12 3HB ALA 12 -4.204 -0.140 -0.844 75 H VAL 13 H VAL 13 -3.857 0.684 2.018 76 HA VAL 13 HA VAL 13 -1.175 1.451 1.527 77 HB VAL 13 HB VAL 13 -3.015 2.002 3.879 78 HG11 VAL 13 1HG1 VAL 13 -0.981 2.716 4.751 79 HG12 VAL 13 2HG1 VAL 13 -1.481 4.162 3.875 80 HG13 VAL 13 3HG1 VAL 13 -0.300 3.063 3.160 81 HG21 VAL 13 3HG2 VAL 13 -4.044 2.863 1.938 82 HG22 VAL 13 1HG2 VAL 13 -2.503 3.297 1.202 83 HG23 VAL 13 2HG2 VAL 13 -3.135 4.244 2.549 84 H PHE 14 H PHE 14 -2.431 -0.855 3.892 85 HA PHE 14 HA PHE 14 -0.134 -1.009 5.616 86 HB2 PHE 14 2HB PHE 14 -2.544 -1.914 5.870 87 HB3 PHE 14 1HB PHE 14 -2.002 -3.279 4.900 88 HD1 PHE 14 2HD PHE 14 -1.631 -1.504 8.113 89 HD2 PHE 14 1HD PHE 14 -0.382 -4.883 5.772 90 HE1 PHE 14 2HE PHE 14 -0.631 -2.534 10.133 91 HE2 PHE 14 1HE PHE 14 0.618 -5.914 7.796 92 HZ PHE 14 HZ PHE 14 0.494 -4.738 9.975 93 H VAL 15 H VAL 15 -1.084 -2.849 2.694 94 HA VAL 15 HA VAL 15 1.207 -4.598 2.635 95 HB VAL 15 HB VAL 15 -0.830 -3.630 0.603 96 HG11 VAL 15 1HG1 VAL 15 1.466 -5.567 0.224 97 HG12 VAL 15 2HG1 VAL 15 1.047 -4.173 -0.772 98 HG13 VAL 15 3HG1 VAL 15 0.021 -5.608 -0.787 99 HG21 VAL 15 3HG2 VAL 15 -1.220 -5.302 2.634 100 HG22 VAL 15 1HG2 VAL 15 -0.477 -6.460 1.529 101 HG23 VAL 15 2HG2 VAL 15 -1.949 -5.612 1.059 102 H GLY 16 H GLY 16 0.505 -1.468 1.020 103 HA2 GLY 16 2HA GLY 16 2.969 -1.260 -0.420 104 HA3 GLY 16 1HA GLY 16 1.935 0.100 0.019 105 H LEU 17 H LEU 17 2.032 -0.241 2.860 106 HA LEU 17 HA LEU 17 4.403 1.212 3.558 107 HB2 LEU 17 2HB LEU 17 2.161 1.139 4.732 108 HB3 LEU 17 1HB LEU 17 2.597 -0.456 5.339 109 HG LEU 17 HG LEU 17 4.720 1.493 5.810 110 HD11 LEU 17 1HD1 LEU 17 1.999 2.003 7.057 111 HD12 LEU 17 2HD1 LEU 17 2.847 3.081 5.947 112 HD13 LEU 17 3HD1 LEU 17 3.507 2.771 7.552 113 HD21 LEU 17 3HD2 LEU 17 3.008 -0.208 7.654 114 HD22 LEU 17 1HD2 LEU 17 4.528 0.573 8.090 115 HD23 LEU 17 2HD2 LEU 17 4.514 -0.726 6.897 116 H VAL 18 H VAL 18 3.531 -2.240 3.999 117 HA VAL 18 HA VAL 18 5.906 -3.101 5.339 118 HB VAL 18 HB VAL 18 3.890 -4.441 3.508 119 HG11 VAL 18 1HG1 VAL 18 5.670 -5.935 3.247 120 HG12 VAL 18 2HG1 VAL 18 4.869 -6.580 4.678 121 HG13 VAL 18 3HG1 VAL 18 6.322 -5.597 4.850 122 HG21 VAL 18 3HG2 VAL 18 2.944 -5.282 5.538 123 HG22 VAL 18 1HG2 VAL 18 3.263 -3.572 5.829 124 HG23 VAL 18 2HG2 VAL 18 4.353 -4.796 6.479 125 H LEU 19 H LEU 19 5.121 -2.841 1.869 126 HA LEU 19 HA LEU 19 7.568 -3.952 0.836 127 HB2 LEU 19 2HB LEU 19 5.164 -3.230 -0.174 128 HB3 LEU 19 1HB LEU 19 6.114 -1.830 -0.667 129 HG LEU 19 HG LEU 19 7.282 -4.544 -1.138 130 HD11 LEU 19 1HD1 LEU 19 6.054 -4.843 -3.196 131 HD12 LEU 19 2HD1 LEU 19 5.226 -3.300 -2.984 132 HD13 LEU 19 3HD1 LEU 19 4.880 -4.644 -1.894 133 HD21 LEU 19 3HD2 LEU 19 8.115 -3.357 -3.175 134 HD22 LEU 19 1HD2 LEU 19 8.582 -2.543 -1.683 135 HD23 LEU 19 2HD2 LEU 19 7.252 -1.910 -2.652 136 H LEU 20 H LEU 20 6.620 -0.633 1.747 137 HA LEU 20 HA LEU 20 8.913 0.741 0.695 138 HB2 LEU 20 2HB LEU 20 6.597 1.537 1.684 139 HB3 LEU 20 1HB LEU 20 7.485 1.580 3.208 140 HG LEU 20 HG LEU 20 9.249 2.971 1.981 141 HD11 LEU 20 1HD1 LEU 20 8.314 4.219 -0.009 142 HD12 LEU 20 2HD1 LEU 20 6.991 3.053 -0.041 143 HD13 LEU 20 3HD1 LEU 20 8.648 2.515 -0.312 144 HD21 LEU 20 3HD2 LEU 20 7.608 3.941 3.565 145 HD22 LEU 20 1HD2 LEU 20 6.446 4.112 2.249 146 HD23 LEU 20 2HD2 LEU 20 7.940 5.048 2.233 147 H THR 21 H THR 21 8.302 -0.886 3.800 148 HA THR 21 HA THR 21 10.750 -0.067 5.113 149 HB THR 21 HB THR 21 8.868 -2.428 5.499 150 HG1 THR 21 1HG THR 21 7.658 -0.881 6.219 151 HG21 THR 21 3HG2 THR 21 11.233 -2.590 6.542 152 HG22 THR 21 1HG2 THR 21 9.847 -2.823 7.606 153 HG23 THR 21 2HG2 THR 21 10.702 -1.281 7.598 154 H LEU 22 H LEU 22 9.805 -2.822 3.071 155 HA LEU 22 HA LEU 22 12.228 -4.369 3.330 156 HB2 LEU 22 2HB LEU 22 10.027 -4.170 1.258 157 HB3 LEU 22 1HB LEU 22 11.327 -5.352 1.142 158 HG LEU 22 HG LEU 22 9.676 -5.123 3.656 159 HD11 LEU 22 1HD1 LEU 22 8.414 -5.550 1.323 160 HD12 LEU 22 2HD1 LEU 22 7.957 -6.389 2.803 161 HD13 LEU 22 3HD1 LEU 22 8.989 -7.190 1.619 162 HD21 LEU 22 3HD2 LEU 22 11.192 -7.401 2.332 163 HD22 LEU 22 1HD2 LEU 22 10.365 -7.484 3.888 164 HD23 LEU 22 2HD2 LEU 22 11.774 -6.444 3.694 165 H SER 23 H SER 23 11.170 -1.814 1.082 166 HA SER 23 HA SER 23 13.357 -1.957 -0.766 167 HB2 SER 23 2HB SER 23 11.411 0.195 0.094 168 HB3 SER 23 1HB SER 23 12.597 0.470 -1.175 169 HG SER 23 HG SER 23 10.327 -1.148 -1.131 170 HA PRO 24 HA PRO 24 16.678 -0.083 1.457 171 HB2 PRO 24 2HB PRO 24 17.903 1.437 -0.460 172 HB3 PRO 24 1HB PRO 24 17.987 -0.336 -0.419 173 HG2 PRO 24 2HG PRO 24 16.270 1.429 -2.084 174 HG3 PRO 24 1HG PRO 24 17.106 -0.072 -2.518 175 HD2 PRO 24 2HD PRO 24 14.453 0.037 -1.980 176 HD3 PRO 24 1HD PRO 24 15.450 -1.403 -1.677 177 H HIS 25 H HIS 25 14.889 1.178 2.631 178 HA HIS 25 HA HIS 25 15.225 4.132 2.192 179 HB2 HIS 25 2HB HIS 25 12.795 2.421 2.740 180 HB3 HIS 25 1HB HIS 25 12.809 4.122 3.203 181 HD1 HIS 25 1HD HIS 25 13.351 1.962 0.117 182 HD2 HIS 25 2HD HIS 25 12.267 5.863 1.104 183 HE1 HIS 25 1HE HIS 25 12.717 3.098 -2.056 184 H TYR 26 H TYR 26 14.073 1.731 4.612 185 HA TYR 26 HA TYR 26 15.144 3.418 6.810 186 HB2 TYR 26 2HB TYR 26 13.412 0.936 6.618 187 HB3 TYR 26 1HB TYR 26 13.999 1.547 8.162 188 HD1 TYR 26 2HD TYR 26 13.514 4.030 8.728 189 HD2 TYR 26 1HD TYR 26 11.472 1.850 5.637 190 HE1 TYR 26 2HE TYR 26 11.672 5.689 8.773 191 HE2 TYR 26 1HE TYR 26 9.634 3.509 5.683 192 HH TYR 26 HH TYR 26 8.841 5.314 7.873 193 H LYS 27 H LYS 27 17.316 3.108 7.183 194 HA LYS 27 HA LYS 27 18.331 0.334 7.523 195 HB2 LYS 27 2HB LYS 27 18.643 1.770 5.155 196 HB3 LYS 27 1HB LYS 27 20.171 2.026 5.998 197 HG2 LYS 27 2HG LYS 27 18.977 -0.734 5.798 198 HG3 LYS 27 1HG LYS 27 19.939 -0.072 4.475 199 HD2 LYS 27 2HD LYS 27 21.823 0.305 6.001 200 HD3 LYS 27 1HD LYS 27 20.867 -0.301 7.354 201 HE2 LYS 27 2HE LYS 27 20.640 -2.495 6.128 202 HE3 LYS 27 1HE LYS 27 21.790 -1.877 4.926 203 HZ1 LYS 27 3HZ LYS 27 23.326 -1.381 6.788 204 HZ2 LYS 27 1HZ LYS 27 23.021 -3.038 6.601 205 HZ3 LYS 27 2HZ LYS 27 22.257 -2.170 7.848
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