NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
520553 | 2xv9 | 6333 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA2 GLY -4 HA2 GLY -4 9.612 10.708 -9.758 2 HA3 GLY -4 HA3 GLY -4 9.258 10.784 -11.477 3 H1 GLY -4 H1 GLY -4 9.344 13.188 -11.354 4 H2 GLY -4 H2 GLY -4 10.789 12.514 -10.796 5 H SER -3 H SER -3 7.270 12.055 -12.065 6 HA SER -3 HA SER -3 5.195 11.640 -10.017 7 HB2 SER -3 HB2 SER -3 5.674 14.055 -10.607 8 HB3 SER -3 HB3 SER -3 5.098 13.700 -12.233 9 HG SER -3 HG SER -3 3.686 13.896 -9.829 No H/Q in entry = 9 In of MODEL 1 1 HA PRO -2 HA PRO -2 3.763 8.839 -13.245 2 HB2 PRO -2 HB2 PRO -2 1.982 7.523 -11.714 3 HB3 PRO -2 HB3 PRO -2 3.719 7.218 -11.609 4 HG2 PRO -2 HG2 PRO -2 1.973 8.869 -9.835 5 HG3 PRO -2 HG3 PRO -2 3.280 7.756 -9.395 6 HD2 PRO -2 HD2 PRO -2 3.566 10.476 -9.505 7 HD3 PRO -2 HD3 PRO -2 4.902 9.335 -9.755 8 H GLU -1 H GLU -1 2.888 10.916 -14.155 9 HA GLU -1 HA GLU -1 0.306 11.845 -13.434 10 HB2 GLU -1 HB2 GLU -1 1.813 12.210 -16.025 11 HB3 GLU -1 HB3 GLU -1 0.396 13.120 -15.533 12 HG2 GLU -1 HG2 GLU -1 1.697 13.941 -13.572 13 HG3 GLU -1 HG3 GLU -1 3.120 13.166 -14.271 14 H PHE 0 H PHE 0 -1.400 10.548 -13.571 15 HA PHE 0 HA PHE 0 -2.485 9.842 -16.072 16 HB2 PHE 0 HB2 PHE 0 -0.679 8.028 -15.704 17 HB3 PHE 0 HB3 PHE 0 -1.747 7.409 -14.450 18 HD1 PHE 0 HD1 PHE 0 -1.473 8.112 -18.059 19 HD2 PHE 0 HD2 PHE 0 -3.639 6.119 -14.992 20 HE1 PHE 0 HE1 PHE 0 -2.722 6.853 -19.766 21 HE2 PHE 0 HE2 PHE 0 -4.894 4.859 -16.689 22 HZ PHE 0 HZ PHE 0 -4.436 5.224 -19.081 23 H HIS 1 H HIS 1 -2.335 9.450 -12.631 24 HA HIS 1 HA HIS 1 -3.850 9.771 -11.000 25 HB2 HIS 1 HB2 HIS 1 -5.543 10.766 -13.282 26 HB3 HIS 1 HB3 HIS 1 -6.096 10.772 -11.611 27 HD1 HIS 1 HD1 HIS 1 -4.974 12.464 -9.992 28 HD2 HIS 1 HD2 HIS 1 -3.635 12.699 -13.920 29 HE1 HIS 1 HE1 HIS 1 -3.665 14.608 -10.135 30 HE2 HIS 1 HE2 HIS 1 -3.040 14.817 -12.566 31 H HIS 2 H HIS 2 -3.635 7.218 -12.460 32 HA HIS 2 HA HIS 2 -6.297 6.113 -11.894 33 HB2 HIS 2 HB2 HIS 2 -5.321 5.584 -14.105 34 HB3 HIS 2 HB3 HIS 2 -3.954 4.818 -13.304 35 HD1 HIS 2 HD1 HIS 2 -4.542 2.560 -14.475 36 HD2 HIS 2 HD2 HIS 2 -7.510 4.003 -11.941 37 HE1 HIS 2 HE1 HIS 2 -6.122 0.636 -14.114 38 HE2 HIS 2 HE2 HIS 2 -7.912 1.527 -12.581 39 H PHE 3 H PHE 3 -2.911 5.924 -11.015 40 HA PHE 3 HA PHE 3 -3.672 4.210 -8.746 41 HB2 PHE 3 HB2 PHE 3 -1.081 4.241 -10.303 42 HB3 PHE 3 HB3 PHE 3 -1.293 3.394 -8.775 43 HD1 PHE 3 HD1 PHE 3 -3.298 1.709 -8.705 44 HD2 PHE 3 HD2 PHE 3 -1.445 3.118 -12.267 45 HE1 PHE 3 HE1 PHE 3 -4.140 -0.256 -9.918 46 HE2 PHE 3 HE2 PHE 3 -2.287 1.156 -13.485 47 HZ PHE 3 HZ PHE 3 -3.654 -0.532 -12.297 48 H THR 4 H THR 4 -3.865 6.989 -8.649 49 HA THR 4 HA THR 4 -1.538 8.026 -7.301 50 HB THR 4 HB THR 4 -3.056 10.018 -6.915 51 HG1 THR 4 HG1 THR 4 -5.027 10.015 -8.042 52 HG21 THR 4 HG21 THR 4 -2.643 9.030 -9.736 53 HG22 THR 4 HG22 THR 4 -3.040 10.695 -9.295 54 HG23 THR 4 HG23 THR 4 -1.511 9.982 -8.774 55 H LEU 5 H LEU 5 -1.683 8.934 -5.143 56 HA LEU 5 HA LEU 5 -2.799 7.100 -3.290 57 HB2 LEU 5 HB2 LEU 5 -1.615 9.829 -2.796 58 HB3 LEU 5 HB3 LEU 5 -1.911 8.602 -1.580 59 HG LEU 5 HG LEU 5 0.052 8.383 -3.863 60 HD11 LEU 5 HD11 LEU 5 0.711 9.964 -2.107 61 HD12 LEU 5 HD12 LEU 5 0.505 8.690 -0.903 62 HD13 LEU 5 HD13 LEU 5 1.746 8.537 -2.147 63 HD21 LEU 5 HD21 LEU 5 -0.536 6.489 -1.589 64 HD22 LEU 5 HD22 LEU 5 -0.884 6.210 -3.296 65 HD23 LEU 5 HD23 LEU 5 0.787 6.327 -2.745 66 H GLU 6 H GLU 6 -3.794 10.242 -4.539 67 HA GLU 6 HA GLU 6 -6.023 10.632 -2.868 68 HB2 GLU 6 HB2 GLU 6 -5.843 11.258 -5.819 69 HB3 GLU 6 HB3 GLU 6 -6.934 11.997 -4.654 70 HG2 GLU 6 HG2 GLU 6 -5.374 13.608 -4.637 71 HG3 GLU 6 HG3 GLU 6 -4.588 12.544 -3.483 72 H SER 7 H SER 7 -5.672 8.699 -5.907 73 HA SER 7 HA SER 7 -8.308 7.908 -6.085 74 HB2 SER 7 HB2 SER 7 -6.510 7.509 -7.789 75 HB3 SER 7 HB3 SER 7 -5.931 6.178 -6.787 76 HG SER 7 HG SER 7 -8.625 6.071 -7.278 77 H SER 8 H SER 8 -6.041 7.020 -3.663 78 HA SER 8 HA SER 8 -7.620 4.670 -2.985 79 HB2 SER 8 HB2 SER 8 -4.951 5.505 -1.869 80 HB3 SER 8 HB3 SER 8 -5.825 4.005 -1.505 81 HG SER 8 HG SER 8 -4.664 4.825 -3.963 82 H LEU 9 H LEU 9 -7.378 7.945 -1.967 83 HA LEU 9 HA LEU 9 -7.071 7.647 0.753 84 HB2 LEU 9 HB2 LEU 9 -8.403 9.832 -0.790 85 HB3 LEU 9 HB3 LEU 9 -7.972 9.939 0.910 86 HG LEU 9 HG LEU 9 -5.980 9.379 -1.273 87 HD11 LEU 9 HD11 LEU 9 -7.088 11.532 -1.566 88 HD12 LEU 9 HD12 LEU 9 -6.594 11.995 0.062 89 HD13 LEU 9 HD13 LEU 9 -5.374 11.686 -1.176 90 HD21 LEU 9 HD21 LEU 9 -5.663 10.211 1.608 91 HD22 LEU 9 HD22 LEU 9 -5.284 8.628 0.928 92 HD23 LEU 9 HD23 LEU 9 -4.351 10.048 0.443 93 H ASP 10 H ASP 10 -10.050 7.470 -0.994 94 HA ASP 10 HA ASP 10 -11.467 7.113 1.544 95 HB2 ASP 10 HB2 ASP 10 -12.455 7.561 -1.263 96 HB3 ASP 10 HB3 ASP 10 -13.523 7.138 0.072 97 H THR 11 H THR 11 -9.773 5.216 -0.417 98 HA THR 11 HA THR 11 -11.562 2.939 0.048 99 HB THR 11 HB THR 11 -10.539 1.860 -1.985 100 HG1 THR 11 HG1 THR 11 -9.924 4.203 -3.219 101 HG21 THR 11 HG21 THR 11 -12.115 4.397 -2.433 102 HG22 THR 11 HG22 THR 11 -11.956 3.071 -3.583 103 HG23 THR 11 HG23 THR 11 -12.787 2.812 -2.049 104 H HIS 12 H HIS 12 -8.450 2.551 -1.408 105 HA HIS 12 HA HIS 12 -7.653 0.622 0.430 106 HB2 HIS 12 HB2 HIS 12 -5.592 2.131 -1.139 107 HB3 HIS 12 HB3 HIS 12 -5.660 0.415 -0.773 108 HD1 HIS 12 HD1 HIS 12 -5.836 2.457 -3.577 109 HD2 HIS 12 HD2 HIS 12 -8.280 -0.592 -2.156 110 HE1 HIS 12 HE1 HIS 12 -7.114 1.621 -5.578 111 HE2 HIS 12 HE2 HIS 12 -8.675 -0.138 -4.673 112 H LEU 13 H LEU 13 -6.988 4.087 0.366 113 HA LEU 13 HA LEU 13 -5.143 3.714 2.635 114 HB2 LEU 13 HB2 LEU 13 -5.152 5.575 0.332 115 HB3 LEU 13 HB3 LEU 13 -4.541 6.178 1.858 116 HG LEU 13 HG LEU 13 -2.684 5.394 0.555 117 HD11 LEU 13 HD11 LEU 13 -2.681 4.934 2.995 118 HD12 LEU 13 HD12 LEU 13 -3.249 3.301 2.643 119 HD13 LEU 13 HD13 LEU 13 -1.674 3.837 2.056 120 HD21 LEU 13 HD21 LEU 13 -4.145 2.767 0.356 121 HD22 LEU 13 HD22 LEU 13 -3.816 3.891 -0.963 122 HD23 LEU 13 HD23 LEU 13 -2.485 3.053 -0.167 123 H LYS 14 H LYS 14 -8.060 3.969 2.693 124 HA LYS 14 HA LYS 14 -8.727 6.595 3.582 125 HB2 LYS 14 HB2 LYS 14 -10.914 5.723 4.067 126 HB3 LYS 14 HB3 LYS 14 -10.371 5.121 2.516 127 HG2 LYS 14 HG2 LYS 14 -9.888 2.966 3.473 128 HG3 LYS 14 HG3 LYS 14 -10.286 3.562 5.088 129 HD2 LYS 14 HD2 LYS 14 -12.577 3.953 4.413 130 HD3 LYS 14 HD3 LYS 14 -12.200 3.475 2.759 131 HE2 LYS 14 HE2 LYS 14 -11.751 1.222 3.459 132 HE3 LYS 14 HE3 LYS 14 -11.935 1.669 5.155 133 HZ1 LYS 14 HZ1 LYS 14 -14.258 2.250 4.665 134 HZ2 LYS 14 HZ2 LYS 14 -14.063 1.689 3.083 135 HZ3 LYS 14 HZ3 LYS 14 -13.930 0.615 4.386 136 H TRP 15 H TRP 15 -7.269 3.980 5.121 137 HA TRP 15 HA TRP 15 -8.213 4.469 7.784 138 HB2 TRP 15 HB2 TRP 15 -6.342 2.927 8.420 139 HB3 TRP 15 HB3 TRP 15 -7.449 2.250 7.225 140 HD1 TRP 15 HD1 TRP 15 -6.544 1.997 4.719 141 HE1 TRP 15 HE1 TRP 15 -4.159 1.846 3.769 142 HE3 TRP 15 HE3 TRP 15 -3.949 3.745 8.764 143 HZ2 TRP 15 HZ2 TRP 15 -1.521 2.392 4.627 144 HZ3 TRP 15 HZ3 TRP 15 -1.498 3.896 8.616 145 HH2 TRP 15 HH2 TRP 15 -0.312 3.233 6.589 146 H LEU 16 H LEU 16 -6.107 6.095 5.750 147 HA LEU 16 HA LEU 16 -4.277 7.095 7.725 148 HB2 LEU 16 HB2 LEU 16 -5.062 8.185 5.014 149 HB3 LEU 16 HB3 LEU 16 -3.765 8.816 6.005 150 HG LEU 16 HG LEU 16 -3.786 5.992 4.942 151 HD11 LEU 16 HD11 LEU 16 -2.527 8.467 3.770 152 HD12 LEU 16 HD12 LEU 16 -2.251 6.818 3.212 153 HD13 LEU 16 HD13 LEU 16 -3.854 7.542 3.073 154 HD21 LEU 16 HD21 LEU 16 -1.570 7.748 6.008 155 HD22 LEU 16 HD22 LEU 16 -2.303 6.380 6.851 156 HD23 LEU 16 HD23 LEU 16 -1.378 6.116 5.371 157 H SER 17 H SER 17 -4.362 9.005 8.774 158 HA SER 17 HA SER 17 -6.978 10.174 9.173 159 HB2 SER 17 HB2 SER 17 -4.325 10.996 10.367 160 HB3 SER 17 HB3 SER 17 -5.928 11.442 10.951 161 HG SER 17 HG SER 17 -5.949 8.839 10.844 162 H GLN 18 H GLN 18 -7.239 12.610 9.035 163 HA GLN 18 HA GLN 18 -6.797 13.359 6.391 164 HB2 GLN 18 HB2 GLN 18 -8.582 14.326 7.803 165 HB3 GLN 18 HB3 GLN 18 -7.368 15.185 8.741 166 HG2 GLN 18 HG2 GLN 18 -8.346 16.720 7.211 167 HG3 GLN 18 HG3 GLN 18 -6.702 16.385 6.673 168 HE21 GLN 18 HE21 GLN 18 -8.943 17.406 5.164 169 HE22 GLN 18 HE22 GLN 18 -9.214 16.300 3.867 170 H GLU 19 H GLU 19 -5.059 14.403 9.306 171 HA GLU 19 HA GLU 19 -3.308 16.172 8.072 172 HB2 GLU 19 HB2 GLU 19 -3.016 14.438 10.524 173 HB3 GLU 19 HB3 GLU 19 -1.861 15.652 10.059 174 HG2 GLU 19 HG2 GLU 19 -3.632 17.365 10.222 175 HG3 GLU 19 HG3 GLU 19 -4.724 16.110 10.810 176 H GLN 20 H GLN 20 -3.187 12.662 8.430 177 HA GLN 20 HA GLN 20 -0.524 12.393 7.454 178 HB2 GLN 20 HB2 GLN 20 -2.784 10.376 7.565 179 HB3 GLN 20 HB3 GLN 20 -1.113 9.986 7.181 180 HG2 GLN 20 HG2 GLN 20 -0.411 10.660 9.393 181 HG3 GLN 20 HG3 GLN 20 -2.052 11.173 9.785 182 HE21 GLN 20 HE21 GLN 20 -0.352 9.183 11.086 183 HE22 GLN 20 HE22 GLN 20 -1.230 7.694 11.036 184 H LYS 21 H LYS 21 -3.752 11.989 5.998 185 HA LYS 21 HA LYS 21 -2.973 11.310 3.407 186 HB2 LYS 21 HB2 LYS 21 -5.336 12.977 4.295 187 HB3 LYS 21 HB3 LYS 21 -5.143 12.303 2.684 188 HG2 LYS 21 HG2 LYS 21 -5.166 10.045 3.640 189 HG3 LYS 21 HG3 LYS 21 -5.404 10.741 5.244 190 HD2 LYS 21 HD2 LYS 21 -7.518 11.697 4.557 191 HD3 LYS 21 HD3 LYS 21 -7.267 11.136 2.904 192 HE2 LYS 21 HE2 LYS 21 -7.321 8.821 3.681 193 HE3 LYS 21 HE3 LYS 21 -7.556 9.378 5.337 194 HZ1 LYS 21 HZ1 LYS 21 -9.423 9.867 3.083 195 HZ2 LYS 21 HZ2 LYS 21 -9.636 8.712 4.294 196 HZ3 LYS 21 HZ3 LYS 21 -9.652 10.355 4.682 197 H ASP 22 H ASP 22 -3.664 14.494 4.759 198 HA ASP 22 HA ASP 22 -2.965 16.047 2.525 199 HB2 ASP 22 HB2 ASP 22 -4.257 16.876 4.454 200 HB3 ASP 22 HB3 ASP 22 -2.833 16.720 5.473 201 H GLU 23 H GLU 23 -0.985 14.674 5.140 202 HA GLU 23 HA GLU 23 1.429 15.935 4.486 203 HB2 GLU 23 HB2 GLU 23 0.597 13.975 6.278 204 HB3 GLU 23 HB3 GLU 23 1.785 13.171 5.251 205 HG2 GLU 23 HG2 GLU 23 3.365 14.928 5.676 206 HG3 GLU 23 HG3 GLU 23 2.178 15.770 6.662 207 H LEU 24 H LEU 24 0.151 12.784 3.281 208 HA LEU 24 HA LEU 24 2.257 12.328 1.507 209 HB2 LEU 24 HB2 LEU 24 -0.633 11.501 1.257 210 HB3 LEU 24 HB3 LEU 24 0.688 10.846 0.315 211 HG LEU 24 HG LEU 24 0.768 9.241 1.835 212 HD11 LEU 24 HD11 LEU 24 2.745 10.467 2.511 213 HD12 LEU 24 HD12 LEU 24 1.785 11.314 3.726 214 HD13 LEU 24 HD13 LEU 24 2.020 9.572 3.845 215 HD21 LEU 24 HD21 LEU 24 -1.445 9.785 2.609 216 HD22 LEU 24 HD22 LEU 24 -0.423 9.233 3.934 217 HD23 LEU 24 HD23 LEU 24 -0.764 10.952 3.741 218 H LEU 25 H LEU 25 -0.948 13.828 0.857 219 HA LEU 25 HA LEU 25 -0.600 14.636 -1.709 220 HB2 LEU 25 HB2 LEU 25 -2.045 15.775 0.634 221 HB3 LEU 25 HB3 LEU 25 -1.966 16.715 -0.847 222 HG LEU 25 HG LEU 25 -2.908 14.759 -2.043 223 HD11 LEU 25 HD11 LEU 25 -2.314 13.012 -0.500 224 HD12 LEU 25 HD12 LEU 25 -3.440 13.675 0.686 225 HD13 LEU 25 HD13 LEU 25 -4.045 13.023 -0.838 226 HD21 LEU 25 HD21 LEU 25 -4.578 15.927 0.159 227 HD22 LEU 25 HD22 LEU 25 -4.308 16.634 -1.436 228 HD23 LEU 25 HD23 LEU 25 -5.208 15.125 -1.280 229 H LYS 26 H LYS 26 0.559 16.318 1.207 230 HA LYS 26 HA LYS 26 1.544 18.601 -0.092 231 HB2 LYS 26 HB2 LYS 26 1.222 18.493 2.331 232 HB3 LYS 26 HB3 LYS 26 2.489 17.282 2.458 233 HG2 LYS 26 HG2 LYS 26 3.671 19.124 3.057 234 HG3 LYS 26 HG3 LYS 26 3.935 19.174 1.317 235 HD2 LYS 26 HD2 LYS 26 1.763 20.701 2.750 236 HD3 LYS 26 HD3 LYS 26 3.337 21.375 2.342 237 HE2 LYS 26 HE2 LYS 26 2.849 20.877 -0.055 238 HE3 LYS 26 HE3 LYS 26 1.224 20.394 0.432 239 HZ1 LYS 26 HZ1 LYS 26 0.859 22.614 1.300 240 HZ2 LYS 26 HZ2 LYS 26 2.413 23.078 0.832 241 HZ3 LYS 26 HZ3 LYS 26 1.265 22.675 -0.339 242 H MET 27 H MET 27 3.243 15.635 0.896 243 HA MET 27 HA MET 27 5.705 16.285 -0.226 244 HB2 MET 27 HB2 MET 27 4.462 13.565 0.149 245 HB3 MET 27 HB3 MET 27 6.149 13.846 -0.255 246 HG2 MET 27 HG2 MET 27 6.046 15.353 1.909 247 HG3 MET 27 HG3 MET 27 4.706 14.273 2.296 248 HE1 MET 27 HE1 MET 27 5.017 11.546 2.111 249 HE2 MET 27 HE2 MET 27 5.903 11.700 0.594 250 HE3 MET 27 HE3 MET 27 6.593 10.776 1.928 251 H LYS 28 H LYS 28 3.052 14.397 -1.724 252 HA LYS 28 HA LYS 28 4.393 13.876 -4.146 253 HB2 LYS 28 HB2 LYS 28 2.327 12.752 -3.256 254 HB3 LYS 28 HB3 LYS 28 1.419 14.174 -3.746 255 HG2 LYS 28 HG2 LYS 28 3.111 12.918 -5.813 256 HG3 LYS 28 HG3 LYS 28 1.706 12.001 -5.277 257 HD2 LYS 28 HD2 LYS 28 1.570 14.870 -6.184 258 HD3 LYS 28 HD3 LYS 28 1.331 13.496 -7.266 259 HE2 LYS 28 HE2 LYS 28 -0.497 12.721 -5.753 260 HE3 LYS 28 HE3 LYS 28 -0.315 14.220 -4.847 261 HZ1 LYS 28 HZ1 LYS 28 -0.912 14.132 -7.746 262 HZ2 LYS 28 HZ2 LYS 28 -2.111 14.219 -6.553 263 HZ3 LYS 28 HZ3 LYS 28 -0.983 15.475 -6.723 264 H LYS 29 H LYS 29 2.297 16.524 -3.117 265 HA LYS 29 HA LYS 29 2.267 17.849 -5.613 266 HB2 LYS 29 HB2 LYS 29 0.599 18.177 -3.794 267 HB3 LYS 29 HB3 LYS 29 1.816 19.050 -2.879 268 HG2 LYS 29 HG2 LYS 29 1.923 20.759 -4.577 269 HG3 LYS 29 HG3 LYS 29 0.791 19.862 -5.590 270 HD2 LYS 29 HD2 LYS 29 -0.917 20.086 -3.823 271 HD3 LYS 29 HD3 LYS 29 0.221 21.049 -2.875 272 HE2 LYS 29 HE2 LYS 29 -0.825 21.742 -5.617 273 HE3 LYS 29 HE3 LYS 29 -1.357 22.464 -4.099 274 HZ1 LYS 29 HZ1 LYS 29 1.395 22.616 -5.200 275 HZ2 LYS 29 HZ2 LYS 29 0.249 23.857 -5.254 276 HZ3 LYS 29 HZ3 LYS 29 0.861 23.336 -3.771 277 H ASP 30 H ASP 30 4.559 17.892 -2.980 278 HA ASP 30 HA ASP 30 5.775 20.343 -3.955 279 HB2 ASP 30 HB2 ASP 30 5.541 19.874 -1.498 280 HB3 ASP 30 HB3 ASP 30 6.692 18.557 -1.681 281 H GLY 31 H GLY 31 5.849 17.269 -4.880 282 HA2 GLY 31 HA2 GLY 31 8.286 17.769 -6.385 283 HA3 GLY 31 HA3 GLY 31 7.064 16.561 -6.746 284 H LYS 32 H LYS 32 7.235 15.807 -3.785 285 HA LYS 32 HA LYS 32 9.778 14.581 -3.494 286 HB2 LYS 32 HB2 LYS 32 7.123 14.011 -2.168 287 HB3 LYS 32 HB3 LYS 32 8.633 13.232 -1.719 288 HG2 LYS 32 HG2 LYS 32 8.117 16.196 -1.588 289 HG3 LYS 32 HG3 LYS 32 8.030 15.085 -0.221 290 HD2 LYS 32 HD2 LYS 32 10.407 14.486 -0.626 291 HD3 LYS 32 HD3 LYS 32 10.464 15.722 -1.883 292 HE2 LYS 32 HE2 LYS 32 9.987 17.448 -0.272 293 HE3 LYS 32 HE3 LYS 32 9.762 16.246 1.000 294 HZ1 LYS 32 HZ1 LYS 32 12.302 16.762 -0.448 295 HZ2 LYS 32 HZ2 LYS 32 11.941 17.293 1.113 296 HZ3 LYS 32 HZ3 LYS 32 12.084 15.639 0.798 297 H ALA 33 H ALA 33 10.248 12.392 -3.688 298 HA ALA 33 HA ALA 33 9.216 11.182 -6.058 299 HB1 ALA 33 HB1 ALA 33 11.571 10.958 -5.375 300 HB2 ALA 33 HB2 ALA 33 10.794 9.390 -5.603 301 HB3 ALA 33 HB3 ALA 33 11.059 10.013 -3.975 302 H LYS 34 H LYS 34 7.993 9.319 -6.270 303 HA LYS 34 HA LYS 34 5.916 8.808 -4.510 304 HB2 LYS 34 HB2 LYS 34 5.507 6.794 -5.766 305 HB3 LYS 34 HB3 LYS 34 5.933 8.114 -6.846 306 HG2 LYS 34 HG2 LYS 34 8.271 7.213 -6.825 307 HG3 LYS 34 HG3 LYS 34 7.630 5.788 -6.011 308 HD2 LYS 34 HD2 LYS 34 6.875 6.822 -8.739 309 HD3 LYS 34 HD3 LYS 34 7.750 5.336 -8.369 310 HE2 LYS 34 HE2 LYS 34 5.693 4.620 -7.070 311 HE3 LYS 34 HE3 LYS 34 4.864 5.988 -7.815 312 HZ1 LYS 34 HZ1 LYS 34 5.486 5.043 -9.998 313 HZ2 LYS 34 HZ2 LYS 34 6.111 3.687 -9.205 314 HZ3 LYS 34 HZ3 LYS 34 4.457 4.041 -9.106 315 H LYS 35 H LYS 35 9.130 7.391 -4.632 316 HA LYS 35 HA LYS 35 8.698 5.289 -2.816 317 HB2 LYS 35 HB2 LYS 35 11.266 6.784 -3.346 318 HB3 LYS 35 HB3 LYS 35 11.128 5.192 -2.610 319 HG2 LYS 35 HG2 LYS 35 10.418 5.944 -5.437 320 HG3 LYS 35 HG3 LYS 35 11.776 4.949 -4.910 321 HD2 LYS 35 HD2 LYS 35 10.223 3.262 -4.068 322 HD3 LYS 35 HD3 LYS 35 8.856 4.267 -4.552 323 HE2 LYS 35 HE2 LYS 35 9.173 2.581 -6.219 324 HE3 LYS 35 HE3 LYS 35 9.663 4.132 -6.898 325 HZ1 LYS 35 HZ1 LYS 35 11.976 3.534 -6.404 326 HZ2 LYS 35 HZ2 LYS 35 11.466 2.020 -5.855 327 HZ3 LYS 35 HZ3 LYS 35 11.252 2.445 -7.477 328 H GLU 36 H GLU 36 8.858 8.663 -2.267 329 HA GLU 36 HA GLU 36 9.674 8.422 0.498 330 HB2 GLU 36 HB2 GLU 36 8.545 10.804 -0.980 331 HB3 GLU 36 HB3 GLU 36 9.330 10.829 0.594 332 HG2 GLU 36 HG2 GLU 36 11.389 9.974 -0.487 333 HG3 GLU 36 HG3 GLU 36 10.584 10.140 -2.039 334 H LEU 37 H LEU 37 6.846 8.612 -1.434 335 HA LEU 37 HA LEU 37 4.965 8.809 0.688 336 HB2 LEU 37 HB2 LEU 37 4.770 7.893 -2.176 337 HB3 LEU 37 HB3 LEU 37 3.388 8.020 -1.109 338 HG LEU 37 HG LEU 37 3.569 9.920 -2.616 339 HD11 LEU 37 HD11 LEU 37 2.510 10.227 -0.454 340 HD12 LEU 37 HD12 LEU 37 4.071 10.649 0.250 341 HD13 LEU 37 HD13 LEU 37 3.339 11.698 -0.964 342 HD21 LEU 37 HD21 LEU 37 5.958 10.071 -2.915 343 HD22 LEU 37 HD22 LEU 37 5.295 11.611 -2.368 344 HD23 LEU 37 HD23 LEU 37 6.146 10.563 -1.233 345 H GLU 38 H GLU 38 6.286 6.178 -1.255 346 HA GLU 38 HA GLU 38 4.991 3.979 -0.177 347 HB2 GLU 38 HB2 GLU 38 6.500 3.801 -2.080 348 HB3 GLU 38 HB3 GLU 38 7.866 4.275 -1.080 349 HG2 GLU 38 HG2 GLU 38 7.164 2.149 0.300 350 HG3 GLU 38 HG3 GLU 38 6.435 1.678 -1.234 351 H ALA 39 H ALA 39 7.364 6.037 1.209 352 HA ALA 39 HA ALA 39 8.167 4.116 3.235 353 HB1 ALA 39 HB1 ALA 39 9.116 6.932 2.755 354 HB2 ALA 39 HB2 ALA 39 9.834 5.754 3.854 355 HB3 ALA 39 HB3 ALA 39 9.863 5.469 2.114 356 H LYS 40 H LYS 40 6.470 7.214 3.081 357 HA LYS 40 HA LYS 40 6.001 7.503 5.825 358 HB2 LYS 40 HB2 LYS 40 4.550 8.395 3.350 359 HB3 LYS 40 HB3 LYS 40 3.872 8.694 4.939 360 HG2 LYS 40 HG2 LYS 40 6.626 9.563 4.173 361 HG3 LYS 40 HG3 LYS 40 5.204 10.564 3.903 362 HD2 LYS 40 HD2 LYS 40 4.715 10.474 6.312 363 HD3 LYS 40 HD3 LYS 40 6.180 9.518 6.560 364 HE2 LYS 40 HE2 LYS 40 7.560 11.329 5.811 365 HE3 LYS 40 HE3 LYS 40 6.149 12.267 5.329 366 HZ1 LYS 40 HZ1 LYS 40 6.767 11.465 8.117 367 HZ2 LYS 40 HZ2 LYS 40 7.096 12.986 7.457 368 HZ3 LYS 40 HZ3 LYS 40 5.490 12.462 7.614 369 H ILE 41 H ILE 41 4.000 6.026 3.274 370 HA ILE 41 HA ILE 41 1.913 5.225 4.948 371 HB ILE 41 HB ILE 41 2.815 4.124 2.292 372 HG12 ILE 41 HG12 ILE 41 0.604 6.064 2.999 373 HG13 ILE 41 HG13 ILE 41 2.188 6.536 2.390 374 HG21 ILE 41 HG21 ILE 41 1.436 2.490 3.460 375 HG22 ILE 41 HG22 ILE 41 0.204 3.717 3.744 376 HG23 ILE 41 HG23 ILE 41 0.561 3.192 2.100 377 HD11 ILE 41 HD11 ILE 41 0.170 4.853 0.939 378 HD12 ILE 41 HD12 ILE 41 0.522 6.556 0.638 379 HD13 ILE 41 HD13 ILE 41 1.756 5.332 0.327 380 H LEU 42 H LEU 42 4.816 3.469 3.874 381 HA LEU 42 HA LEU 42 4.146 1.030 5.121 382 HB2 LEU 42 HB2 LEU 42 6.768 2.233 4.299 383 HB3 LEU 42 HB3 LEU 42 6.690 0.686 5.107 384 HG LEU 42 HG LEU 42 5.588 1.401 2.401 385 HD11 LEU 42 HD11 LEU 42 7.649 -0.586 3.321 386 HD12 LEU 42 HD12 LEU 42 7.074 -0.413 1.665 387 HD13 LEU 42 HD13 LEU 42 7.949 0.911 2.440 388 HD21 LEU 42 HD21 LEU 42 5.134 -1.076 4.053 389 HD22 LEU 42 HD22 LEU 42 3.918 0.004 3.369 390 HD23 LEU 42 HD23 LEU 42 4.895 -1.016 2.309 391 H HIS 43 H HIS 43 5.886 3.876 6.273 392 HA HIS 43 HA HIS 43 6.498 2.918 8.852 393 HB2 HIS 43 HB2 HIS 43 7.479 4.990 8.006 394 HB3 HIS 43 HB3 HIS 43 5.891 5.744 7.940 395 HD1 HIS 43 HD1 HIS 43 8.432 4.495 10.452 396 HD2 HIS 43 HD2 HIS 43 5.041 6.894 10.283 397 HE1 HIS 43 HE1 HIS 43 8.263 5.590 12.708 398 HE2 HIS 43 HE2 HIS 43 6.279 7.133 12.538 399 H TYR 44 H TYR 44 3.666 4.790 7.684 400 HA TYR 44 HA TYR 44 2.269 4.916 10.096 401 HB2 TYR 44 HB2 TYR 44 1.155 4.693 7.286 402 HB3 TYR 44 HB3 TYR 44 0.234 5.190 8.702 403 HD1 TYR 44 HD1 TYR 44 2.326 6.901 10.001 404 HD2 TYR 44 HD2 TYR 44 1.024 6.648 5.964 405 HE1 TYR 44 HE1 TYR 44 3.021 9.212 9.641 406 HE2 TYR 44 HE2 TYR 44 1.728 8.976 5.577 407 HH TYR 44 HH TYR 44 2.122 11.012 6.896 408 H TYR 45 H TYR 45 2.310 2.520 7.565 409 HA TYR 45 HA TYR 45 0.351 0.750 8.360 410 HB2 TYR 45 HB2 TYR 45 1.501 0.748 6.202 411 HB3 TYR 45 HB3 TYR 45 2.998 0.275 6.981 412 HD1 TYR 45 HD1 TYR 45 -0.499 -0.949 6.985 413 HD2 TYR 45 HD2 TYR 45 3.615 -1.884 6.524 414 HE1 TYR 45 HE1 TYR 45 -1.089 -3.299 6.657 415 HE2 TYR 45 HE2 TYR 45 3.046 -4.254 6.180 416 HH TYR 45 HH TYR 45 -0.256 -5.304 5.790 417 H ASP 46 H ASP 46 3.833 0.661 9.164 418 HA ASP 46 HA ASP 46 3.527 -1.726 10.708 419 HB2 ASP 46 HB2 ASP 46 5.647 -1.039 9.516 420 HB3 ASP 46 HB3 ASP 46 5.869 0.196 10.750 421 H GLU 47 H GLU 47 3.061 1.604 11.427 422 HA GLU 47 HA GLU 47 3.552 1.236 14.267 423 HB2 GLU 47 HB2 GLU 47 2.829 3.641 12.604 424 HB3 GLU 47 HB3 GLU 47 2.963 3.686 14.356 425 HG2 GLU 47 HG2 GLU 47 5.189 2.791 12.557 426 HG3 GLU 47 HG3 GLU 47 4.978 4.455 13.089 427 H LEU 48 H LEU 48 1.129 0.312 12.402 428 HA LEU 48 HA LEU 48 -1.140 1.671 13.404 429 HB2 LEU 48 HB2 LEU 48 -0.719 -0.821 11.792 430 HB3 LEU 48 HB3 LEU 48 -2.321 -0.291 12.245 431 HG LEU 48 HG LEU 48 -0.366 1.309 10.615 432 HD11 LEU 48 HD11 LEU 48 -1.270 -0.626 9.421 433 HD12 LEU 48 HD12 LEU 48 -2.906 -0.093 9.813 434 HD13 LEU 48 HD13 LEU 48 -1.882 0.894 8.772 435 HD21 LEU 48 HD21 LEU 48 -3.182 1.852 11.528 436 HD22 LEU 48 HD22 LEU 48 -1.729 2.788 11.883 437 HD23 LEU 48 HD23 LEU 48 -2.370 2.752 10.244 438 H GLU 49 H GLU 49 -2.863 -0.489 13.791 439 HA GLU 49 HA GLU 49 -2.182 -1.285 16.521 440 HB2 GLU 49 HB2 GLU 49 -4.713 0.174 15.722 441 HB3 GLU 49 HB3 GLU 49 -4.393 -0.501 17.315 442 HG2 GLU 49 HG2 GLU 49 -2.579 1.036 17.663 443 HG3 GLU 49 HG3 GLU 49 -2.722 1.637 16.013 444 H GLY 50 H GLY 50 -4.470 -2.501 17.297 445 HA2 GLY 50 HA2 GLY 50 -5.672 -4.447 17.083 446 HA3 GLY 50 HA3 GLY 50 -4.211 -5.023 16.306 447 H ASP 51 H ASP 51 -7.340 -3.487 15.689 448 HA ASP 51 HA ASP 51 -7.621 -5.048 13.277 449 HB2 ASP 51 HB2 ASP 51 -9.847 -4.337 13.212 450 HB3 ASP 51 HB3 ASP 51 -9.497 -4.367 14.935 451 H ALA 52 H ALA 52 -6.497 -1.887 14.084 452 HA ALA 52 HA ALA 52 -7.091 -0.535 11.682 453 HB1 ALA 52 HB1 ALA 52 -4.727 -0.122 13.527 454 HB2 ALA 52 HB2 ALA 52 -5.300 1.017 12.310 455 HB3 ALA 52 HB3 ALA 52 -6.312 0.629 13.700 456 H LYS 53 H LYS 53 -4.272 -2.387 12.707 457 HA LYS 53 HA LYS 53 -2.767 -2.069 10.328 458 HB2 LYS 53 HB2 LYS 53 -2.051 -2.825 12.712 459 HB3 LYS 53 HB3 LYS 53 -2.521 -4.429 12.168 460 HG2 LYS 53 HG2 LYS 53 -0.610 -2.772 10.576 461 HG3 LYS 53 HG3 LYS 53 -0.064 -3.714 11.964 462 HD2 LYS 53 HD2 LYS 53 -0.871 -5.743 10.959 463 HD3 LYS 53 HD3 LYS 53 -1.580 -4.841 9.620 464 HE2 LYS 53 HE2 LYS 53 0.525 -4.242 8.772 465 HE3 LYS 53 HE3 LYS 53 1.347 -4.725 10.254 466 HZ1 LYS 53 HZ1 LYS 53 0.688 -7.037 9.752 467 HZ2 LYS 53 HZ2 LYS 53 0.027 -6.519 8.283 468 HZ3 LYS 53 HZ3 LYS 53 1.690 -6.380 8.561 469 H LYS 54 H LYS 54 -4.755 -4.738 11.566 470 HA LYS 54 HA LYS 54 -4.616 -6.457 9.401 471 HB2 LYS 54 HB2 LYS 54 -5.903 -7.646 10.744 472 HB3 LYS 54 HB3 LYS 54 -6.118 -6.241 11.772 473 HG2 LYS 54 HG2 LYS 54 -8.139 -5.670 10.781 474 HG3 LYS 54 HG3 LYS 54 -7.831 -6.664 9.350 475 HD2 LYS 54 HD2 LYS 54 -7.966 -8.671 10.745 476 HD3 LYS 54 HD3 LYS 54 -8.309 -7.669 12.152 477 HE2 LYS 54 HE2 LYS 54 -10.341 -6.833 11.003 478 HE3 LYS 54 HE3 LYS 54 -10.007 -7.942 9.676 479 HZ1 LYS 54 HZ1 LYS 54 -10.212 -9.793 11.217 480 HZ2 LYS 54 HZ2 LYS 54 -10.540 -8.727 12.491 481 HZ3 LYS 54 HZ3 LYS 54 -11.628 -8.866 11.204 482 H GLU 55 H GLU 55 -6.907 -3.776 9.930 483 HA GLU 55 HA GLU 55 -8.310 -4.166 7.532 484 HB2 GLU 55 HB2 GLU 55 -8.022 -1.963 9.536 485 HB3 GLU 55 HB3 GLU 55 -8.812 -1.599 8.016 486 HG2 GLU 55 HG2 GLU 55 -9.648 -3.844 9.819 487 HG3 GLU 55 HG3 GLU 55 -10.310 -2.218 9.917 488 H ALA 56 H ALA 56 -5.635 -1.943 8.364 489 HA ALA 56 HA ALA 56 -5.573 -0.750 5.849 490 HB1 ALA 56 HB1 ALA 56 -3.305 -0.019 6.398 491 HB2 ALA 56 HB2 ALA 56 -3.245 -1.180 7.724 492 HB3 ALA 56 HB3 ALA 56 -4.377 0.171 7.785 493 H THR 57 H THR 57 -3.667 -3.477 7.116 494 HA THR 57 HA THR 57 -2.172 -4.146 4.933 495 HB THR 57 HB THR 57 -3.628 -6.130 6.694 496 HG1 THR 57 HG1 THR 57 -2.495 -4.803 8.051 497 HG21 THR 57 HG21 THR 57 -2.578 -7.130 4.736 498 HG22 THR 57 HG22 THR 57 -1.049 -6.352 5.145 499 HG23 THR 57 HG23 THR 57 -1.722 -7.587 6.209 500 H GLU 58 H GLU 58 -5.485 -5.131 5.634 501 HA GLU 58 HA GLU 58 -5.939 -6.649 3.295 502 HB2 GLU 58 HB2 GLU 58 -7.675 -5.378 5.376 503 HB3 GLU 58 HB3 GLU 58 -8.416 -6.019 3.914 504 HG2 GLU 58 HG2 GLU 58 -7.324 -8.200 4.410 505 HG3 GLU 58 HG3 GLU 58 -6.783 -7.515 5.945 506 H HIS 59 H HIS 59 -6.134 -3.207 3.923 507 HA HIS 59 HA HIS 59 -7.687 -2.689 1.542 508 HB2 HIS 59 HB2 HIS 59 -6.327 -0.813 3.484 509 HB3 HIS 59 HB3 HIS 59 -7.300 -0.282 2.119 510 HD1 HIS 59 HD1 HIS 59 -9.632 -2.355 2.487 511 HD2 HIS 59 HD2 HIS 59 -7.992 -0.015 5.505 512 HE1 HIS 59 HE1 HIS 59 -11.389 -2.234 4.280 513 HE2 HIS 59 HE2 HIS 59 -10.277 -1.019 6.186 514 H LEU 60 H LEU 60 -4.342 -2.033 2.611 515 HA LEU 60 HA LEU 60 -3.323 -1.166 0.212 516 HB2 LEU 60 HB2 LEU 60 -2.132 -2.627 2.532 517 HB3 LEU 60 HB3 LEU 60 -1.167 -2.274 1.108 518 HG LEU 60 HG LEU 60 -1.810 0.110 1.396 519 HD11 LEU 60 HD11 LEU 60 -3.755 -0.157 2.729 520 HD12 LEU 60 HD12 LEU 60 -2.781 -0.788 4.058 521 HD13 LEU 60 HD13 LEU 60 -2.578 0.886 3.534 522 HD21 LEU 60 HD21 LEU 60 -0.238 -1.164 3.617 523 HD22 LEU 60 HD22 LEU 60 0.391 -0.671 2.044 524 HD23 LEU 60 HD23 LEU 60 -0.183 0.546 3.184 525 H LYS 61 H LYS 61 -4.006 -4.454 1.313 526 HA LYS 61 HA LYS 61 -2.790 -5.867 -0.759 527 HB2 LYS 61 HB2 LYS 61 -5.247 -6.408 0.883 528 HB3 LYS 61 HB3 LYS 61 -4.810 -7.477 -0.440 529 HG2 LYS 61 HG2 LYS 61 -2.639 -7.885 0.614 530 HG3 LYS 61 HG3 LYS 61 -3.100 -6.829 1.951 531 HD2 LYS 61 HD2 LYS 61 -4.971 -8.319 2.479 532 HD3 LYS 61 HD3 LYS 61 -4.511 -9.371 1.138 533 HE2 LYS 61 HE2 LYS 61 -2.382 -9.839 2.207 534 HE3 LYS 61 HE3 LYS 61 -2.776 -8.730 3.519 535 HZ1 LYS 61 HZ1 LYS 61 -4.659 -10.173 4.077 536 HZ2 LYS 61 HZ2 LYS 61 -4.182 -11.260 2.873 537 HZ3 LYS 61 HZ3 LYS 61 -3.175 -10.977 4.204 538 H GLY 62 H GLY 62 -6.173 -4.746 -0.582 539 HA2 GLY 62 HA2 GLY 62 -7.578 -3.964 -2.212 540 HA3 GLY 62 HA3 GLY 62 -6.911 -5.247 -3.207 541 H GLY 63 H GLY 63 -5.351 -2.320 -1.892 542 HA2 GLY 63 HA2 GLY 63 -4.052 -0.742 -2.944 543 HA3 GLY 63 HA3 GLY 63 -5.244 -0.821 -4.232 544 H CYS 64 H CYS 64 -2.762 -3.071 -3.017 545 HA CYS 64 HA CYS 64 -1.143 -2.846 -5.342 546 HB2 CYS 64 HB2 CYS 64 -0.194 -3.537 -3.210 547 HB3 CYS 64 HB3 CYS 64 -1.214 -4.973 -3.195 548 H ARG 65 H ARG 65 -3.835 -4.845 -4.439 549 HA ARG 65 HA ARG 65 -3.708 -6.833 -6.400 550 HB2 ARG 65 HB2 ARG 65 -5.294 -6.876 -4.539 551 HB3 ARG 65 HB3 ARG 65 -6.113 -5.464 -5.183 552 HG2 ARG 65 HG2 ARG 65 -6.611 -6.861 -7.237 553 HG3 ARG 65 HG3 ARG 65 -6.069 -8.251 -6.290 554 HD2 ARG 65 HD2 ARG 65 -8.494 -7.999 -6.155 555 HD3 ARG 65 HD3 ARG 65 -7.742 -7.736 -4.579 556 HE ARG 65 HE ARG 65 -8.279 -5.372 -6.218 557 HH11 ARG 65 HH11 ARG 65 -9.245 -7.395 -3.513 558 HH12 ARG 65 HH12 ARG 65 -10.260 -6.177 -2.811 559 HH21 ARG 65 HH21 ARG 65 -9.607 -3.786 -5.288 560 HH22 ARG 65 HH22 ARG 65 -10.464 -4.125 -3.817 561 H GLU 66 H GLU 66 -5.025 -3.552 -6.498 562 HA GLU 66 HA GLU 66 -6.008 -3.741 -9.157 563 HB2 GLU 66 HB2 GLU 66 -5.234 -1.248 -7.637 564 HB3 GLU 66 HB3 GLU 66 -6.274 -1.331 -9.052 565 HG2 GLU 66 HG2 GLU 66 -6.840 -2.362 -6.289 566 HG3 GLU 66 HG3 GLU 66 -7.667 -1.069 -7.155 567 H ILE 67 H ILE 67 -2.955 -2.747 -7.728 568 HA ILE 67 HA ILE 67 -1.711 -1.895 -10.126 569 HB ILE 67 HB ILE 67 -0.550 -3.024 -7.580 570 HG12 ILE 67 HG12 ILE 67 -0.614 -0.218 -8.709 571 HG13 ILE 67 HG13 ILE 67 -1.692 -0.830 -7.460 572 HG21 ILE 67 HG21 ILE 67 0.982 -3.503 -9.437 573 HG22 ILE 67 HG22 ILE 67 0.941 -1.802 -9.906 574 HG23 ILE 67 HG23 ILE 67 1.643 -2.272 -8.357 575 HD11 ILE 67 HD11 ILE 67 0.233 -1.185 -5.994 576 HD12 ILE 67 HD12 ILE 67 1.292 -0.535 -7.244 577 HD13 ILE 67 HD13 ILE 67 0.075 0.499 -6.493 578 H LEU 68 H LEU 68 -1.870 -5.019 -8.483 579 HA LEU 68 HA LEU 68 -0.336 -6.485 -10.338 580 HB2 LEU 68 HB2 LEU 68 -1.014 -7.166 -8.004 581 HB3 LEU 68 HB3 LEU 68 -2.612 -7.504 -8.640 582 HG LEU 68 HG LEU 68 -1.663 -9.218 -10.118 583 HD11 LEU 68 HD11 LEU 68 0.558 -8.230 -10.405 584 HD12 LEU 68 HD12 LEU 68 0.932 -8.588 -8.718 585 HD13 LEU 68 HD13 LEU 68 0.659 -9.907 -9.859 586 HD21 LEU 68 HD21 LEU 68 -2.487 -9.822 -7.896 587 HD22 LEU 68 HD22 LEU 68 -1.134 -10.841 -8.384 588 HD23 LEU 68 HD23 LEU 68 -0.881 -9.539 -7.225 589 H LYS 69 H LYS 69 -3.677 -5.532 -10.200 590 HA LYS 69 HA LYS 69 -4.625 -7.023 -12.376 591 HB2 LYS 69 HB2 LYS 69 -5.505 -4.540 -10.988 592 HB3 LYS 69 HB3 LYS 69 -6.208 -4.892 -12.559 593 HG2 LYS 69 HG2 LYS 69 -6.239 -6.797 -10.232 594 HG3 LYS 69 HG3 LYS 69 -7.549 -5.686 -10.632 595 HD2 LYS 69 HD2 LYS 69 -7.520 -6.765 -12.949 596 HD3 LYS 69 HD3 LYS 69 -6.531 -8.029 -12.216 597 HE2 LYS 69 HE2 LYS 69 -9.289 -7.199 -11.324 598 HE3 LYS 69 HE3 LYS 69 -8.895 -8.645 -12.252 599 HZ1 LYS 69 HZ1 LYS 69 -7.937 -8.044 -9.507 600 HZ2 LYS 69 HZ2 LYS 69 -9.170 -9.129 -9.903 601 HZ3 LYS 69 HZ3 LYS 69 -7.588 -9.444 -10.392 602 H HIS 70 H HIS 70 -2.343 -4.584 -12.309 603 HA HIS 70 HA HIS 70 -2.931 -3.691 -15.034 604 HB2 HIS 70 HB2 HIS 70 -2.682 -1.875 -13.396 605 HB3 HIS 70 HB3 HIS 70 -1.103 -2.496 -12.934 606 HD1 HIS 70 HD1 HIS 70 -2.773 -0.287 -15.315 607 HD2 HIS 70 HD2 HIS 70 0.891 -2.239 -15.021 608 HE1 HIS 70 HE1 HIS 70 -1.277 0.860 -16.962 609 HE2 HIS 70 HE2 HIS 70 0.845 -0.489 -16.955 610 H VAL 71 H VAL 71 -0.295 -4.589 -12.878 611 HA VAL 71 HA VAL 71 1.655 -4.742 -14.873 612 HB VAL 71 HB VAL 71 2.233 -4.179 -12.630 613 HG11 VAL 71 HG11 VAL 71 1.212 -6.854 -11.862 614 HG12 VAL 71 HG12 VAL 71 2.170 -5.798 -10.816 615 HG13 VAL 71 HG13 VAL 71 0.588 -5.266 -11.408 616 HG21 VAL 71 HG21 VAL 71 3.370 -6.778 -13.529 617 HG22 VAL 71 HG22 VAL 71 4.034 -5.153 -13.717 618 HG23 VAL 71 HG23 VAL 71 3.974 -5.899 -12.125 619 H VAL 72 H VAL 72 -0.127 -7.291 -13.147 620 HA VAL 72 HA VAL 72 1.095 -9.231 -14.959 621 HB VAL 72 HB VAL 72 0.836 -9.402 -12.311 622 HG11 VAL 72 HG11 VAL 72 -1.662 -10.666 -13.364 623 HG12 VAL 72 HG12 VAL 72 -0.959 -11.048 -11.792 624 HG13 VAL 72 HG13 VAL 72 -1.512 -9.409 -12.142 625 HG21 VAL 72 HG21 VAL 72 0.785 -11.634 -14.300 626 HG22 VAL 72 HG22 VAL 72 2.187 -10.876 -13.552 627 HG23 VAL 72 HG23 VAL 72 1.099 -11.861 -12.579 628 H GLY 73 H GLY 73 -1.826 -7.564 -14.446 629 HA2 GLY 73 HA2 GLY 73 -3.009 -8.939 -16.711 630 HA3 GLY 73 HA3 GLY 73 -3.587 -7.455 -15.972 631 H GLU 74 H GLU 74 -5.671 -8.608 -16.300 632 HA GLU 74 HA GLU 74 -6.742 -9.596 -13.926 633 HB2 GLU 74 HB2 GLU 74 -7.722 -9.989 -16.761 634 HB3 GLU 74 HB3 GLU 74 -8.648 -10.414 -15.333 635 HG2 GLU 74 HG2 GLU 74 -9.492 -8.352 -16.032 636 HG3 GLU 74 HG3 GLU 74 -8.459 -7.984 -14.654 637 H GLU 75 H GLU 75 -5.528 -11.265 -16.760 638 HA GLU 75 HA GLU 75 -6.129 -13.894 -16.399 639 HB2 GLU 75 HB2 GLU 75 -4.863 -13.061 -18.284 640 HB3 GLU 75 HB3 GLU 75 -3.497 -12.686 -17.244 641 HG2 GLU 75 HG2 GLU 75 -3.110 -15.012 -16.820 642 HG3 GLU 75 HG3 GLU 75 -4.568 -15.457 -17.713 643 H LYS 76 H LYS 76 -3.105 -12.493 -15.110 644 HA LYS 76 HA LYS 76 -2.600 -14.968 -13.777 645 HB2 LYS 76 HB2 LYS 76 -1.039 -12.391 -13.635 646 HB3 LYS 76 HB3 LYS 76 -0.486 -13.994 -13.199 647 HG2 LYS 76 HG2 LYS 76 -1.227 -13.082 -15.960 648 HG3 LYS 76 HG3 LYS 76 0.404 -13.352 -15.350 649 HD2 LYS 76 HD2 LYS 76 -1.734 -15.463 -15.580 650 HD3 LYS 76 HD3 LYS 76 -0.420 -15.220 -16.728 651 HE2 LYS 76 HE2 LYS 76 1.194 -15.651 -14.915 652 HE3 LYS 76 HE3 LYS 76 -0.150 -15.964 -13.821 653 HZ1 LYS 76 HZ1 LYS 76 0.379 -17.492 -16.306 654 HZ2 LYS 76 HZ2 LYS 76 0.833 -17.995 -14.759 655 HZ3 LYS 76 HZ3 LYS 76 -0.809 -17.830 -15.148 656 H ALA 77 H ALA 77 -3.596 -11.728 -12.827 657 HA ALA 77 HA ALA 77 -3.365 -12.083 -10.036 658 HB1 ALA 77 HB1 ALA 77 -4.873 -10.191 -9.847 659 HB2 ALA 77 HB2 ALA 77 -5.351 -10.367 -11.535 660 HB3 ALA 77 HB3 ALA 77 -3.701 -9.892 -11.129 661 H ALA 78 H ALA 78 -5.646 -13.202 -12.385 662 HA ALA 78 HA ALA 78 -7.705 -13.967 -10.559 663 HB1 ALA 78 HB1 ALA 78 -7.062 -14.783 -13.394 664 HB2 ALA 78 HB2 ALA 78 -8.482 -15.351 -12.509 665 HB3 ALA 78 HB3 ALA 78 -8.285 -13.634 -12.855 666 H GLU 79 H GLU 79 -4.949 -15.523 -12.088 667 HA GLU 79 HA GLU 79 -5.416 -18.124 -11.068 668 HB2 GLU 79 HB2 GLU 79 -2.808 -16.859 -11.933 669 HB3 GLU 79 HB3 GLU 79 -3.106 -18.581 -11.739 670 HG2 GLU 79 HG2 GLU 79 -4.791 -18.452 -13.518 671 HG3 GLU 79 HG3 GLU 79 -4.387 -16.757 -13.748 672 H LEU 80 H LEU 80 -3.668 -15.335 -9.896 673 HA LEU 80 HA LEU 80 -2.518 -16.629 -7.642 674 HB2 LEU 80 HB2 LEU 80 -2.997 -13.747 -8.367 675 HB3 LEU 80 HB3 LEU 80 -2.195 -14.229 -6.881 676 HG LEU 80 HG LEU 80 -1.183 -15.204 -9.530 677 HD11 LEU 80 HD11 LEU 80 -1.328 -12.763 -9.694 678 HD12 LEU 80 HD12 LEU 80 -0.400 -12.619 -8.199 679 HD13 LEU 80 HD13 LEU 80 0.343 -13.331 -9.633 680 HD21 LEU 80 HD21 LEU 80 -0.386 -16.250 -7.492 681 HD22 LEU 80 HD22 LEU 80 0.901 -15.345 -8.289 682 HD23 LEU 80 HD23 LEU 80 0.103 -14.676 -6.866 683 H LYS 81 H LYS 81 -5.449 -14.733 -8.182 684 HA LYS 81 HA LYS 81 -6.261 -14.699 -5.468 685 HB2 LYS 81 HB2 LYS 81 -7.071 -13.190 -7.361 686 HB3 LYS 81 HB3 LYS 81 -8.087 -14.530 -7.866 687 HG2 LYS 81 HG2 LYS 81 -8.233 -13.415 -5.087 688 HG3 LYS 81 HG3 LYS 81 -9.125 -12.692 -6.422 689 HD2 LYS 81 HD2 LYS 81 -9.346 -15.573 -5.543 690 HD3 LYS 81 HD3 LYS 81 -10.478 -14.289 -5.103 691 HE2 LYS 81 HE2 LYS 81 -10.914 -13.926 -7.529 692 HE3 LYS 81 HE3 LYS 81 -9.901 -15.324 -7.877 693 HZ1 LYS 81 HZ1 LYS 81 -11.426 -16.688 -6.571 694 HZ2 LYS 81 HZ2 LYS 81 -12.410 -15.341 -6.293 695 HZ3 LYS 81 HZ3 LYS 81 -12.217 -15.937 -7.860 696 H ASN 82 H ASN 82 -7.001 -16.835 -8.211 697 HA ASN 82 HA ASN 82 -8.789 -18.453 -6.714 698 HB2 ASN 82 HB2 ASN 82 -8.781 -18.398 -9.223 699 HB3 ASN 82 HB3 ASN 82 -7.225 -19.219 -9.202 700 HD21 ASN 82 HD21 ASN 82 -7.878 -21.044 -10.241 701 HD22 ASN 82 HD22 ASN 82 -8.984 -22.185 -9.556 702 H LEU 83 H LEU 83 -5.290 -18.771 -7.471 703 HA LEU 83 HA LEU 83 -4.858 -21.198 -6.280 704 HB2 LEU 83 HB2 LEU 83 -3.314 -18.917 -7.057 705 HB3 LEU 83 HB3 LEU 83 -2.754 -19.487 -5.502 706 HG LEU 83 HG LEU 83 -2.709 -21.803 -6.607 707 HD11 LEU 83 HD11 LEU 83 -2.699 -20.075 -9.058 708 HD12 LEU 83 HD12 LEU 83 -2.294 -21.792 -9.011 709 HD13 LEU 83 HD13 LEU 83 -3.926 -21.258 -8.609 710 HD21 LEU 83 HD21 LEU 83 -0.731 -19.674 -7.391 711 HD22 LEU 83 HD22 LEU 83 -0.705 -20.634 -5.912 712 HD23 LEU 83 HD23 LEU 83 -0.442 -21.412 -7.473 713 H LYS 84 H LYS 84 -4.723 -17.997 -4.728 714 HA LYS 84 HA LYS 84 -4.452 -18.653 -2.100 715 HB2 LYS 84 HB2 LYS 84 -4.597 -16.358 -3.041 716 HB3 LYS 84 HB3 LYS 84 -6.339 -16.555 -3.199 717 HG2 LYS 84 HG2 LYS 84 -5.094 -16.935 -0.521 718 HG3 LYS 84 HG3 LYS 84 -5.279 -15.299 -1.153 719 HD2 LYS 84 HD2 LYS 84 -7.672 -15.663 -1.432 720 HD3 LYS 84 HD3 LYS 84 -7.500 -17.318 -0.849 721 HE2 LYS 84 HE2 LYS 84 -6.793 -16.527 1.316 722 HE3 LYS 84 HE3 LYS 84 -6.800 -14.862 0.747 723 HZ1 LYS 84 HZ1 LYS 84 -9.196 -15.043 0.405 724 HZ2 LYS 84 HZ2 LYS 84 -9.170 -16.629 0.987 725 HZ3 LYS 84 HZ3 LYS 84 -8.783 -15.346 2.016 726 H ASP 85 H ASP 85 -7.614 -18.273 -3.707 727 HA ASP 85 HA ASP 85 -9.183 -19.179 -1.557 728 HB2 ASP 85 HB2 ASP 85 -9.973 -17.873 -3.551 729 HB3 ASP 85 HB3 ASP 85 -9.860 -19.355 -4.494 730 H SER 86 H SER 86 -7.569 -20.964 -4.118 731 HA SER 86 HA SER 86 -8.970 -23.402 -3.504 732 HB2 SER 86 HB2 SER 86 -6.521 -22.952 -5.223 733 HB3 SER 86 HB3 SER 86 -7.486 -24.428 -5.169 734 HG SER 86 HG SER 86 -8.127 -21.906 -6.237 735 H GLY 87 H GLY 87 -6.420 -21.779 -2.064 736 HA2 GLY 87 HA2 GLY 87 -5.875 -24.223 -0.509 737 HA3 GLY 87 HA3 GLY 87 -5.798 -22.589 0.128 738 H ALA 88 H ALA 88 -4.367 -22.077 -2.668 739 HA ALA 88 HA ALA 88 -1.787 -23.109 -2.354 740 HB1 ALA 88 HB1 ALA 88 -2.659 -20.431 -3.432 741 HB2 ALA 88 HB2 ALA 88 -2.376 -21.907 -4.353 742 HB3 ALA 88 HB3 ALA 88 -1.027 -21.082 -3.574 743 H SER 89 H SER 89 -0.372 -22.762 -0.819 744 HA SER 89 HA SER 89 -0.875 -21.137 1.441 745 HB2 SER 89 HB2 SER 89 1.461 -21.867 2.066 746 HB3 SER 89 HB3 SER 89 0.332 -23.177 1.753 747 HG SER 89 HG SER 89 1.523 -23.785 0.139 748 H LYS 90 H LYS 90 1.026 -19.692 2.260 749 HA LYS 90 HA LYS 90 1.180 -17.437 0.628 750 HB2 LYS 90 HB2 LYS 90 2.905 -18.281 2.955 751 HB3 LYS 90 HB3 LYS 90 2.975 -16.691 2.213 752 HG2 LYS 90 HG2 LYS 90 0.642 -16.301 2.808 753 HG3 LYS 90 HG3 LYS 90 0.553 -17.907 3.529 754 HD2 LYS 90 HD2 LYS 90 2.599 -15.922 4.451 755 HD3 LYS 90 HD3 LYS 90 0.946 -15.853 5.058 756 HE2 LYS 90 HE2 LYS 90 2.271 -17.112 6.607 757 HE3 LYS 90 HE3 LYS 90 1.176 -18.220 5.788 758 HZ1 LYS 90 HZ1 LYS 90 4.005 -17.822 4.980 759 HZ2 LYS 90 HZ2 LYS 90 3.502 -19.024 6.058 760 HZ3 LYS 90 HZ3 LYS 90 2.946 -19.042 4.464 761 H GLU 91 H GLU 91 3.093 -20.313 0.639 762 HA GLU 91 HA GLU 91 5.310 -19.034 -0.660 763 HB2 GLU 91 HB2 GLU 91 5.749 -20.842 0.907 764 HB3 GLU 91 HB3 GLU 91 4.784 -21.948 -0.060 765 HG2 GLU 91 HG2 GLU 91 6.358 -21.791 -1.873 766 HG3 GLU 91 HG3 GLU 91 7.309 -20.604 -0.986 767 H GLU 92 H GLU 92 2.746 -21.306 -1.615 768 HA GLU 92 HA GLU 92 3.450 -21.699 -4.268 769 HB2 GLU 92 HB2 GLU 92 0.698 -21.540 -3.058 770 HB3 GLU 92 HB3 GLU 92 1.133 -22.336 -4.556 771 HG2 GLU 92 HG2 GLU 92 2.069 -23.104 -1.822 772 HG3 GLU 92 HG3 GLU 92 0.818 -23.903 -2.755 773 H LEU 93 H LEU 93 1.450 -19.233 -2.705 774 HA LEU 93 HA LEU 93 1.048 -17.701 -5.073 775 HB2 LEU 93 HB2 LEU 93 1.079 -16.837 -2.178 776 HB3 LEU 93 HB3 LEU 93 0.610 -15.794 -3.508 777 HG LEU 93 HG LEU 93 -0.797 -18.299 -2.587 778 HD11 LEU 93 HD11 LEU 93 -1.634 -15.412 -2.681 779 HD12 LEU 93 HD12 LEU 93 -2.674 -16.764 -2.235 780 HD13 LEU 93 HD13 LEU 93 -1.278 -16.358 -1.234 781 HD21 LEU 93 HD21 LEU 93 -1.306 -16.579 -5.005 782 HD22 LEU 93 HD22 LEU 93 -0.868 -18.288 -4.981 783 HD23 LEU 93 HD23 LEU 93 -2.438 -17.772 -4.368 784 H LYS 94 H LYS 94 3.700 -17.787 -2.689 785 HA LYS 94 HA LYS 94 5.038 -15.537 -3.764 786 HB2 LYS 94 HB2 LYS 94 5.599 -16.528 -1.575 787 HB3 LYS 94 HB3 LYS 94 6.252 -17.941 -2.394 788 HG2 LYS 94 HG2 LYS 94 7.877 -16.444 -3.536 789 HG3 LYS 94 HG3 LYS 94 7.286 -15.121 -2.535 790 HD2 LYS 94 HD2 LYS 94 8.432 -17.677 -1.433 791 HD3 LYS 94 HD3 LYS 94 9.383 -16.223 -1.716 792 HE2 LYS 94 HE2 LYS 94 8.849 -16.072 0.536 793 HE3 LYS 94 HE3 LYS 94 7.631 -15.056 -0.227 794 HZ1 LYS 94 HZ1 LYS 94 6.067 -16.900 -0.076 795 HZ2 LYS 94 HZ2 LYS 94 7.242 -17.863 0.665 796 HZ3 LYS 94 HZ3 LYS 94 6.657 -16.482 1.449 797 H ALA 95 H ALA 95 5.134 -18.971 -4.489 798 HA ALA 95 HA ALA 95 7.256 -18.571 -6.394 799 HB1 ALA 95 HB1 ALA 95 7.240 -20.557 -4.910 800 HB2 ALA 95 HB2 ALA 95 7.272 -20.998 -6.618 801 HB3 ALA 95 HB3 ALA 95 5.764 -21.103 -5.709 802 H LYS 96 H LYS 96 3.820 -18.973 -6.446 803 HA LYS 96 HA LYS 96 3.604 -19.010 -9.267 804 HB2 LYS 96 HB2 LYS 96 1.710 -19.353 -7.688 805 HB3 LYS 96 HB3 LYS 96 1.763 -17.641 -7.296 806 HG2 LYS 96 HG2 LYS 96 0.004 -17.924 -8.835 807 HG3 LYS 96 HG3 LYS 96 1.329 -17.179 -9.728 808 HD2 LYS 96 HD2 LYS 96 1.929 -19.320 -10.684 809 HD3 LYS 96 HD3 LYS 96 0.684 -20.125 -9.727 810 HE2 LYS 96 HE2 LYS 96 -1.027 -18.762 -10.866 811 HE3 LYS 96 HE3 LYS 96 0.236 -18.035 -11.856 812 HZ1 LYS 96 HZ1 LYS 96 -0.469 -20.917 -11.808 813 HZ2 LYS 96 HZ2 LYS 96 -0.904 -19.814 -13.018 814 HZ3 LYS 96 HZ3 LYS 96 0.725 -20.210 -12.775 815 H VAL 97 H VAL 97 3.285 -16.284 -7.073 816 HA VAL 97 HA VAL 97 3.014 -14.237 -8.831 817 HB VAL 97 HB VAL 97 2.934 -14.299 -6.249 818 HG11 VAL 97 HG11 VAL 97 5.624 -13.207 -6.850 819 HG12 VAL 97 HG12 VAL 97 4.795 -12.982 -5.311 820 HG13 VAL 97 HG13 VAL 97 5.236 -14.603 -5.854 821 HG21 VAL 97 HG21 VAL 97 2.062 -12.506 -7.647 822 HG22 VAL 97 HG22 VAL 97 2.892 -11.860 -6.231 823 HG23 VAL 97 HG23 VAL 97 3.689 -11.838 -7.801 824 H GLU 98 H GLU 98 6.066 -15.535 -7.729 825 HA GLU 98 HA GLU 98 7.637 -13.488 -8.869 826 HB2 GLU 98 HB2 GLU 98 8.303 -16.300 -8.019 827 HB3 GLU 98 HB3 GLU 98 9.513 -15.149 -8.585 828 HG2 GLU 98 HG2 GLU 98 7.652 -14.620 -6.279 829 HG3 GLU 98 HG3 GLU 98 9.279 -15.297 -6.099 830 H GLU 99 H GLU 99 6.422 -16.521 -10.157 831 HA GLU 99 HA GLU 99 7.959 -16.304 -12.593 832 HB2 GLU 99 HB2 GLU 99 5.585 -18.066 -11.955 833 HB3 GLU 99 HB3 GLU 99 6.666 -18.241 -13.331 834 HG2 GLU 99 HG2 GLU 99 7.435 -18.536 -10.436 835 HG3 GLU 99 HG3 GLU 99 7.167 -19.853 -11.575 836 H ALA 100 H ALA 100 4.668 -15.615 -11.513 837 HA ALA 100 HA ALA 100 3.609 -14.923 -14.038 838 HB1 ALA 100 HB1 ALA 100 2.781 -13.917 -11.316 839 HB2 ALA 100 HB2 ALA 100 2.225 -15.412 -12.066 840 HB3 ALA 100 HB3 ALA 100 1.815 -13.858 -12.792 841 H LEU 101 H LEU 101 5.014 -12.933 -11.443 842 HA LEU 101 HA LEU 101 4.934 -10.547 -13.018 843 HB2 LEU 101 HB2 LEU 101 6.321 -11.195 -10.424 844 HB3 LEU 101 HB3 LEU 101 6.339 -9.608 -11.168 845 HG LEU 101 HG LEU 101 3.864 -11.056 -10.224 846 HD11 LEU 101 HD11 LEU 101 5.295 -10.341 -8.386 847 HD12 LEU 101 HD12 LEU 101 5.336 -8.706 -9.047 848 HD13 LEU 101 HD13 LEU 101 3.817 -9.381 -8.459 849 HD21 LEU 101 HD21 LEU 101 4.253 -8.277 -11.328 850 HD22 LEU 101 HD22 LEU 101 3.389 -9.602 -12.103 851 HD23 LEU 101 HD23 LEU 101 2.761 -8.892 -10.616 852 H HIS 102 H HIS 102 6.925 -13.225 -13.176 853 HA HIS 102 HA HIS 102 9.163 -11.663 -14.147 854 HB2 HIS 102 HB2 HIS 102 9.308 -13.997 -12.994 855 HB3 HIS 102 HB3 HIS 102 8.882 -14.622 -14.583 856 HD1 HIS 102 HD1 HIS 102 10.637 -14.165 -16.525 857 HD2 HIS 102 HD2 HIS 102 11.912 -13.241 -12.679 858 HE1 HIS 102 HE1 HIS 102 13.126 -13.877 -16.691 859 HE2 HIS 102 HE2 HIS 102 13.892 -13.516 -14.321 860 H ALA 103 H ALA 103 6.636 -13.803 -15.337 861 HA ALA 103 HA ALA 103 7.463 -13.888 -18.017 862 HB1 ALA 103 HB1 ALA 103 4.734 -14.421 -16.873 863 HB2 ALA 103 HB2 ALA 103 6.070 -15.572 -16.901 864 HB3 ALA 103 HB3 ALA 103 5.360 -15.004 -18.416 865 H VAL 104 H VAL 104 6.246 -11.199 -16.491 866 HA VAL 104 HA VAL 104 4.480 -10.327 -18.533 867 HB VAL 104 HB VAL 104 3.842 -9.542 -16.488 868 HG11 VAL 104 HG11 VAL 104 5.798 -10.205 -15.260 869 HG12 VAL 104 HG12 VAL 104 6.673 -8.799 -15.860 870 HG13 VAL 104 HG13 VAL 104 5.284 -8.585 -14.800 871 HG21 VAL 104 HG21 VAL 104 3.988 -7.679 -18.131 872 HG22 VAL 104 HG22 VAL 104 4.068 -7.154 -16.447 873 HG23 VAL 104 HG23 VAL 104 5.539 -7.246 -17.415 874 H THR 105 H THR 105 7.381 -8.673 -17.295 875 HA THR 105 HA THR 105 9.191 -7.777 -18.287 876 HB THR 105 HB THR 105 10.120 -8.682 -20.287 877 HG1 THR 105 HG1 THR 105 7.461 -9.338 -20.859 878 HG21 THR 105 HG21 THR 105 10.159 -10.150 -18.332 879 HG22 THR 105 HG22 THR 105 8.618 -10.855 -18.828 880 HG23 THR 105 HG23 THR 105 10.057 -11.081 -19.828 881 H ASP 106 H ASP 106 6.236 -6.836 -19.039 882 HA ASP 106 HA ASP 106 7.002 -4.986 -21.121 883 HB2 ASP 106 HB2 ASP 106 4.491 -5.374 -19.511 884 HB3 ASP 106 HB3 ASP 106 4.702 -3.992 -20.574 885 H GLU 107 H GLU 107 7.443 -2.842 -20.851 886 HA GLU 107 HA GLU 107 9.186 -2.462 -18.727 887 HB2 GLU 107 HB2 GLU 107 8.081 -0.384 -20.611 888 HB3 GLU 107 HB3 GLU 107 9.503 -0.189 -19.599 889 HG2 GLU 107 HG2 GLU 107 10.574 -2.054 -20.789 890 HG3 GLU 107 HG3 GLU 107 9.161 -2.168 -21.835 891 H GLU 108 H GLU 108 6.143 -0.703 -19.320 892 HA GLU 108 HA GLU 108 6.266 0.881 -17.011 893 HB2 GLU 108 HB2 GLU 108 3.827 1.219 -17.371 894 HB3 GLU 108 HB3 GLU 108 4.788 1.476 -18.819 895 HG2 GLU 108 HG2 GLU 108 4.095 -0.572 -19.761 896 HG3 GLU 108 HG3 GLU 108 3.407 -1.122 -18.236 897 H LYS 109 H LYS 109 5.073 -2.360 -17.534 898 HA LYS 109 HA LYS 109 3.700 -2.577 -15.045 899 HB2 LYS 109 HB2 LYS 109 4.648 -4.660 -17.014 900 HB3 LYS 109 HB3 LYS 109 3.617 -4.999 -15.631 901 HG2 LYS 109 HG2 LYS 109 1.905 -3.515 -16.522 902 HG3 LYS 109 HG3 LYS 109 2.937 -3.145 -17.902 903 HD2 LYS 109 HD2 LYS 109 2.874 -5.525 -18.547 904 HD3 LYS 109 HD3 LYS 109 1.793 -5.846 -17.192 905 HE2 LYS 109 HE2 LYS 109 0.137 -4.336 -18.137 906 HE3 LYS 109 HE3 LYS 109 1.224 -3.953 -19.469 907 HZ1 LYS 109 HZ1 LYS 109 0.087 -6.635 -18.892 908 HZ2 LYS 109 HZ2 LYS 109 -0.444 -5.585 -20.105 909 HZ3 LYS 109 HZ3 LYS 109 1.104 -6.253 -20.186 910 H LYS 110 H LYS 110 6.899 -3.555 -16.223 911 HA LYS 110 HA LYS 110 7.739 -4.766 -13.796 912 HB2 LYS 110 HB2 LYS 110 9.348 -3.547 -16.039 913 HB3 LYS 110 HB3 LYS 110 10.059 -4.419 -14.691 914 HG2 LYS 110 HG2 LYS 110 8.588 -6.375 -15.424 915 HG3 LYS 110 HG3 LYS 110 8.364 -5.469 -16.921 916 HD2 LYS 110 HD2 LYS 110 11.057 -6.154 -15.757 917 HD3 LYS 110 HD3 LYS 110 10.245 -7.130 -16.972 918 HE2 LYS 110 HE2 LYS 110 10.270 -5.257 -18.523 919 HE3 LYS 110 HE3 LYS 110 11.012 -4.233 -17.292 920 HZ1 LYS 110 HZ1 LYS 110 12.234 -6.676 -18.460 921 HZ2 LYS 110 HZ2 LYS 110 12.643 -5.085 -18.864 922 HZ3 LYS 110 HZ3 LYS 110 12.947 -5.666 -17.306 923 H GLN 111 H GLN 111 7.349 -1.537 -14.720 924 HA GLN 111 HA GLN 111 9.047 -0.255 -12.872 925 HB2 GLN 111 HB2 GLN 111 7.494 0.719 -14.748 926 HB3 GLN 111 HB3 GLN 111 6.276 0.751 -13.488 927 HG2 GLN 111 HG2 GLN 111 8.938 2.116 -13.222 928 HG3 GLN 111 HG3 GLN 111 7.522 2.897 -13.917 929 HE21 GLN 111 HE21 GLN 111 9.107 1.894 -11.044 930 HE22 GLN 111 HE22 GLN 111 7.969 2.557 -9.914 931 H TYR 112 H TYR 112 5.827 -1.665 -12.557 932 HA TYR 112 HA TYR 112 5.493 -0.828 -9.808 933 HB2 TYR 112 HB2 TYR 112 3.917 -2.785 -11.496 934 HB3 TYR 112 HB3 TYR 112 3.462 -2.252 -9.879 935 HD1 TYR 112 HD1 TYR 112 3.985 0.604 -9.936 936 HD2 TYR 112 HD2 TYR 112 2.369 -1.914 -12.960 937 HE1 TYR 112 HE1 TYR 112 2.783 2.528 -10.899 938 HE2 TYR 112 HE2 TYR 112 1.175 -0.004 -13.928 939 HH TYR 112 HH TYR 112 0.338 2.163 -13.263 940 H ILE 113 H ILE 113 6.549 -3.707 -11.522 941 HA ILE 113 HA ILE 113 6.638 -5.491 -9.381 942 HB ILE 113 HB ILE 113 8.617 -5.259 -11.651 943 HG12 ILE 113 HG12 ILE 113 6.071 -6.868 -11.357 944 HG13 ILE 113 HG13 ILE 113 6.298 -5.476 -12.412 945 HG21 ILE 113 HG21 ILE 113 9.468 -6.632 -9.817 946 HG22 ILE 113 HG22 ILE 113 7.980 -7.581 -9.826 947 HG23 ILE 113 HG23 ILE 113 9.068 -7.632 -11.214 948 HD11 ILE 113 HD11 ILE 113 8.057 -6.763 -13.596 949 HD12 ILE 113 HD12 ILE 113 7.608 -8.159 -12.622 950 HD13 ILE 113 HD13 ILE 113 6.436 -7.444 -13.725 951 H ALA 114 H ALA 114 9.066 -3.177 -10.542 952 HA ALA 114 HA ALA 114 10.902 -3.546 -8.396 953 HB1 ALA 114 HB1 ALA 114 11.664 -2.654 -10.503 954 HB2 ALA 114 HB2 ALA 114 11.906 -1.432 -9.253 955 HB3 ALA 114 HB3 ALA 114 10.550 -1.291 -10.377 956 H ASP 115 H ASP 115 8.227 -1.347 -9.015 957 HA ASP 115 HA ASP 115 8.816 0.491 -6.937 958 HB2 ASP 115 HB2 ASP 115 7.233 0.574 -9.095 959 HB3 ASP 115 HB3 ASP 115 6.021 0.150 -7.891 960 H PHE 116 H PHE 116 6.242 -1.936 -7.238 961 HA PHE 116 HA PHE 116 5.683 -1.512 -4.399 962 HB2 PHE 116 HB2 PHE 116 3.983 -1.712 -6.676 963 HB3 PHE 116 HB3 PHE 116 3.641 -3.084 -5.627 964 HD1 PHE 116 HD1 PHE 116 3.679 0.569 -5.887 965 HD2 PHE 116 HD2 PHE 116 2.601 -2.794 -3.510 966 HE1 PHE 116 HE1 PHE 116 2.311 2.029 -4.433 967 HE2 PHE 116 HE2 PHE 116 1.234 -1.351 -2.062 968 HZ PHE 116 HZ PHE 116 1.086 1.059 -2.522 969 H GLY 117 H GLY 117 6.895 -3.829 -6.585 970 HA2 GLY 117 HA2 GLY 117 7.678 -5.977 -6.216 971 HA3 GLY 117 HA3 GLY 117 6.006 -6.270 -5.783 No H/Q in entry = 971 In of MODEL 1 1 HA PRO 118 HA PRO 118 9.293 -6.958 -2.247 2 HB2 PRO 118 HB2 PRO 118 10.315 -4.516 -1.312 3 HB3 PRO 118 HB3 PRO 118 11.182 -5.727 -2.257 4 HG2 PRO 118 HG2 PRO 118 9.878 -3.211 -3.145 5 HG3 PRO 118 HG3 PRO 118 11.320 -4.017 -3.782 6 HD2 PRO 118 HD2 PRO 118 8.963 -4.092 -5.074 7 HD3 PRO 118 HD3 PRO 118 10.081 -5.473 -5.086 8 H ALA 119 H ALA 119 7.775 -3.724 -1.987 9 HA ALA 119 HA ALA 119 7.134 -4.004 0.770 10 HB1 ALA 119 HB1 ALA 119 5.770 -1.997 0.445 11 HB2 ALA 119 HB2 ALA 119 5.988 -2.137 -1.300 12 HB3 ALA 119 HB3 ALA 119 7.377 -1.823 -0.259 13 H CYS 120 H CYS 120 5.390 -4.662 -2.212 14 HA CYS 120 HA CYS 120 2.844 -5.128 -1.132 15 HB2 CYS 120 HB2 CYS 120 3.340 -4.857 -3.546 16 HB3 CYS 120 HB3 CYS 120 4.145 -6.421 -3.538 17 H LYS 121 H LYS 121 5.736 -7.102 -1.274 18 HA LYS 121 HA LYS 121 4.544 -9.587 -0.732 19 HB2 LYS 121 HB2 LYS 121 7.253 -8.488 -0.688 20 HB3 LYS 121 HB3 LYS 121 7.001 -9.787 0.470 21 HG2 LYS 121 HG2 LYS 121 7.852 -10.542 -1.734 22 HG3 LYS 121 HG3 LYS 121 6.332 -11.294 -1.257 23 HD2 LYS 121 HD2 LYS 121 5.096 -9.813 -2.715 24 HD3 LYS 121 HD3 LYS 121 6.572 -8.938 -3.125 25 HE2 LYS 121 HE2 LYS 121 6.100 -11.863 -3.686 26 HE3 LYS 121 HE3 LYS 121 5.839 -10.571 -4.858 27 HZ1 LYS 121 HZ1 LYS 121 8.191 -9.978 -4.641 28 HZ2 LYS 121 HZ2 LYS 121 8.425 -11.273 -3.577 29 HZ3 LYS 121 HZ3 LYS 121 7.997 -11.569 -5.190 30 H LYS 122 H LYS 122 5.746 -7.091 1.547 31 HA LYS 122 HA LYS 122 5.006 -8.618 3.838 32 HB2 LYS 122 HB2 LYS 122 5.366 -6.684 5.156 33 HB3 LYS 122 HB3 LYS 122 6.564 -6.626 3.878 34 HG2 LYS 122 HG2 LYS 122 5.235 -4.971 2.685 35 HG3 LYS 122 HG3 LYS 122 4.002 -5.048 3.947 36 HD2 LYS 122 HD2 LYS 122 5.357 -3.134 4.387 37 HD3 LYS 122 HD3 LYS 122 5.766 -4.358 5.590 38 HE2 LYS 122 HE2 LYS 122 7.677 -5.023 4.069 39 HE3 LYS 122 HE3 LYS 122 7.333 -3.559 3.150 40 HZ1 LYS 122 HZ1 LYS 122 7.631 -2.316 5.267 41 HZ2 LYS 122 HZ2 LYS 122 8.177 -3.745 5.982 42 HZ3 LYS 122 HZ3 LYS 122 9.035 -3.059 4.696 43 H ILE 123 H ILE 123 3.314 -6.487 1.656 44 HA ILE 123 HA ILE 123 1.081 -5.995 3.336 45 HB ILE 123 HB ILE 123 1.400 -5.709 0.369 46 HG12 ILE 123 HG12 ILE 123 1.421 -3.707 2.635 47 HG13 ILE 123 HG13 ILE 123 2.848 -4.299 1.790 48 HG21 ILE 123 HG21 ILE 123 -0.830 -4.759 2.161 49 HG22 ILE 123 HG22 ILE 123 -0.621 -4.319 0.466 50 HG23 ILE 123 HG23 ILE 123 -0.953 -5.993 0.908 51 HD11 ILE 123 HD11 ILE 123 0.602 -2.782 0.517 52 HD12 ILE 123 HD12 ILE 123 2.129 -2.083 1.045 53 HD13 ILE 123 HD13 ILE 123 2.106 -3.281 -0.250 54 H TYR 124 H TYR 124 1.554 -8.018 0.556 55 HA TYR 124 HA TYR 124 -0.810 -9.599 0.773 56 HB2 TYR 124 HB2 TYR 124 1.617 -9.558 -0.934 57 HB3 TYR 124 HB3 TYR 124 0.778 -11.097 -0.786 58 HD1 TYR 124 HD1 TYR 124 -0.349 -7.550 -1.108 59 HD2 TYR 124 HD2 TYR 124 -0.523 -11.511 -2.655 60 HE1 TYR 124 HE1 TYR 124 -1.954 -6.806 -2.813 61 HE2 TYR 124 HE2 TYR 124 -2.129 -10.772 -4.364 62 HH TYR 124 HH TYR 124 -3.768 -8.955 -4.680 63 H GLY 125 H GLY 125 0.534 -9.651 3.244 64 HA2 GLY 125 HA2 GLY 125 1.833 -10.875 4.766 65 HA3 GLY 125 HA3 GLY 125 3.025 -10.215 3.685 66 H VAL 126 H VAL 126 2.230 -12.120 1.555 67 HA VAL 126 HA VAL 126 2.745 -14.768 2.187 68 HB VAL 126 HB VAL 126 3.694 -14.946 -0.141 69 HG11 VAL 126 HG11 VAL 126 1.055 -13.522 0.158 70 HG12 VAL 126 HG12 VAL 126 1.590 -14.384 -1.283 71 HG13 VAL 126 HG13 VAL 126 1.324 -15.264 0.222 72 HG21 VAL 126 HG21 VAL 126 3.112 -11.983 -0.189 73 HG22 VAL 126 HG22 VAL 126 4.703 -12.739 -0.298 74 HG23 VAL 126 HG23 VAL 126 3.528 -12.970 -1.594 75 H HIS 127 H HIS 127 4.835 -12.177 2.640 76 HA HIS 127 HA HIS 127 7.325 -12.912 1.822 77 HB2 HIS 127 HB2 HIS 127 6.777 -10.799 2.978 78 HB3 HIS 127 HB3 HIS 127 6.645 -11.674 4.496 79 HD1 HIS 127 HD1 HIS 127 9.161 -10.391 2.030 80 HD2 HIS 127 HD2 HIS 127 9.069 -12.310 5.720 81 HE1 HIS 127 HE1 HIS 127 11.509 -10.275 2.913 82 HE2 HIS 127 HE2 HIS 127 11.374 -11.239 5.233 83 H THR 128 H THR 128 6.259 -13.569 5.172 84 HA THR 128 HA THR 128 6.576 -15.330 6.559 85 HB THR 128 HB THR 128 7.274 -16.885 4.061 86 HG1 THR 128 HG1 THR 128 4.940 -15.879 4.965 87 HG21 THR 128 HG21 THR 128 6.462 -17.816 6.818 88 HG22 THR 128 HG22 THR 128 6.646 -18.856 5.406 89 HG23 THR 128 HG23 THR 128 8.047 -18.018 6.074 90 H SER 129 H SER 129 8.180 -15.224 7.922 91 HA SER 129 HA SER 129 10.228 -15.293 8.883 92 HB2 SER 129 HB2 SER 129 11.061 -16.911 6.467 93 HB3 SER 129 HB3 SER 129 11.828 -16.901 8.052 94 HG SER 129 HG SER 129 9.887 -18.463 7.216 95 HA2 GLY -4 HA2 GLY -4 -2.545 24.520 -18.749 96 HA3 GLY -4 HA3 GLY -4 -0.825 24.440 -18.401 97 H1 GLY -4 H1 GLY -4 -1.260 23.655 -20.611 98 H2 GLY -4 H2 GLY -4 -2.364 22.512 -20.040 No H/Q in entry = 98 In of MODEL 2 1 H SER -3 H SER -3 -3.175 21.796 -18.448 2 HA SER -3 HA SER -3 -2.397 21.177 -15.691 3 HB2 SER -3 HB2 SER -3 -5.257 21.199 -16.696 4 HB3 SER -3 HB3 SER -3 -4.728 20.744 -15.075 5 HG SER -3 HG SER -3 -4.069 22.860 -14.723 No H/Q in entry = 5 In of MODEL 2 1 HA PRO -2 HA PRO -2 -2.014 17.400 -18.308 2 HB2 PRO -2 HB2 PRO -2 -0.037 16.741 -16.220 3 HB3 PRO -2 HB3 PRO -2 0.155 16.771 -17.974 4 HG2 PRO -2 HG2 PRO -2 1.284 18.634 -16.415 5 HG3 PRO -2 HG3 PRO -2 0.638 19.030 -18.020 6 HD2 PRO -2 HD2 PRO -2 -0.578 19.497 -15.319 7 HD3 PRO -2 HD3 PRO -2 -0.537 20.567 -16.737 No H/Q in entry = 7 In of MODEL 2 1 H GLU -1 H GLU -1 -4.112 16.765 -17.567 2 HA GLU -1 HA GLU -1 -4.211 15.547 -14.907 3 HB2 GLU -1 HB2 GLU -1 -5.858 17.351 -15.611 4 HB3 GLU -1 HB3 GLU -1 -6.554 16.160 -16.701 5 HG2 GLU -1 HG2 GLU -1 -6.950 14.687 -14.740 6 HG3 GLU -1 HG3 GLU -1 -6.399 16.000 -13.702 No H/Q in entry = 6 In of MODEL 2 1 H PHE 0 H PHE 0 -2.947 13.727 -15.935 2 HA PHE 0 HA PHE 0 -4.459 11.847 -17.498 3 HB2 PHE 0 HB2 PHE 0 -1.990 11.838 -17.512 4 HB3 PHE 0 HB3 PHE 0 -1.980 11.437 -15.799 5 HD1 PHE 0 HD1 PHE 0 -4.014 10.068 -18.600 6 HD2 PHE 0 HD2 PHE 0 -1.067 9.320 -15.624 7 HE1 PHE 0 HE1 PHE 0 -4.053 7.676 -19.169 8 HE2 PHE 0 HE2 PHE 0 -1.097 6.926 -16.192 9 HZ PHE 0 HZ PHE 0 -2.567 6.100 -17.961 No H/Q in entry = 9 In of MODEL 2 1 H HIS 1 H HIS 1 -3.435 12.077 -14.122 2 HA HIS 1 HA HIS 1 -4.389 11.462 -12.171 3 HB2 HIS 1 HB2 HIS 1 -6.125 13.023 -13.402 4 HB3 HIS 1 HB3 HIS 1 -7.097 11.556 -13.423 5 HD1 HIS 1 HD1 HIS 1 -8.548 11.272 -11.432 6 HD2 HIS 1 HD2 HIS 1 -5.227 13.639 -10.617 7 HE1 HIS 1 HE1 HIS 1 -8.827 12.042 -9.050 8 HE2 HIS 1 HE2 HIS 1 -6.832 13.523 -8.589 No H/Q in entry = 8 In of MODEL 2 1 H HIS 2 H HIS 2 -3.410 9.278 -13.087 2 HA HIS 2 HA HIS 2 -5.540 7.274 -12.731 3 HB2 HIS 2 HB2 HIS 2 -4.586 7.236 -15.033 4 HB3 HIS 2 HB3 HIS 2 -3.000 6.925 -14.342 5 HD1 HIS 2 HD1 HIS 2 -2.377 4.528 -14.216 6 HD2 HIS 2 HD2 HIS 2 -6.500 5.055 -14.318 7 HE1 HIS 2 HE1 HIS 2 -3.355 2.215 -14.335 8 HE2 HIS 2 HE2 HIS 2 -5.841 2.564 -14.512 No H/Q in entry = 8 In of MODEL 2 1 H PHE 3 H PHE 3 -5.332 6.118 -10.931 2 HA PHE 3 HA PHE 3 -4.522 5.352 -8.958 3 HB2 PHE 3 HB2 PHE 3 -2.172 4.984 -10.770 4 HB3 PHE 3 HB3 PHE 3 -1.959 4.734 -9.042 5 HD1 PHE 3 HD1 PHE 3 -4.062 3.277 -8.037 6 HD2 PHE 3 HD2 PHE 3 -2.476 3.075 -11.979 7 HE1 PHE 3 HE1 PHE 3 -4.954 0.997 -8.276 8 HE2 PHE 3 HE2 PHE 3 -3.362 0.792 -12.225 9 HZ PHE 3 HZ PHE 3 -4.531 -0.281 -10.330 No H/Q in entry = 9 In of MODEL 2 1 H THR 4 H THR 4 -4.585 8.195 -9.277 2 HA THR 4 HA THR 4 -2.183 9.286 -8.159 3 HB THR 4 HB THR 4 -3.569 11.369 -7.863 4 HG1 THR 4 HG1 THR 4 -5.533 9.680 -9.042 5 HG21 THR 4 HG21 THR 4 -2.218 11.002 -9.863 6 HG22 THR 4 HG22 THR 4 -3.554 10.128 -10.613 7 HG23 THR 4 HG23 THR 4 -3.714 11.848 -10.257 No H/Q in entry = 7 In of MODEL 2 1 H LEU 5 H LEU 5 -2.040 10.322 -6.054 2 HA LEU 5 HA LEU 5 -2.803 8.607 -4.011 3 HB2 LEU 5 HB2 LEU 5 -1.923 11.483 -3.868 4 HB3 LEU 5 HB3 LEU 5 -2.085 10.432 -2.476 5 HG LEU 5 HG LEU 5 -0.175 10.010 -4.775 6 HD11 LEU 5 HD11 LEU 5 0.292 10.906 -1.937 7 HD12 LEU 5 HD12 LEU 5 1.548 10.549 -3.122 8 HD13 LEU 5 HD13 LEU 5 0.447 11.902 -3.383 9 HD21 LEU 5 HD21 LEU 5 -0.547 8.486 -2.197 10 HD22 LEU 5 HD22 LEU 5 -0.888 7.893 -3.822 11 HD23 LEU 5 HD23 LEU 5 0.772 8.245 -3.343 No H/Q in entry = 11 In of MODEL 2 1 H GLU 6 H GLU 6 -4.238 11.746 -4.933 2 HA GLU 6 HA GLU 6 -6.234 12.040 -3.076 3 HB2 GLU 6 HB2 GLU 6 -6.683 12.323 -6.058 4 HB3 GLU 6 HB3 GLU 6 -7.563 13.152 -4.781 5 HG2 GLU 6 HG2 GLU 6 -5.623 14.439 -4.204 6 HG3 GLU 6 HG3 GLU 6 -4.630 13.524 -5.334 No H/Q in entry = 6 In of MODEL 2 1 H SER 7 H SER 7 -6.104 9.663 -5.725 2 HA SER 7 HA SER 7 -8.833 9.142 -5.838 3 HB2 SER 7 HB2 SER 7 -7.267 8.397 -7.554 4 HB3 SER 7 HB3 SER 7 -6.525 7.273 -6.420 5 HG SER 7 HG SER 7 -9.146 7.200 -7.502 No H/Q in entry = 5 In of MODEL 2 1 H SER 8 H SER 8 -6.480 6.905 -4.390 2 HA SER 8 HA SER 8 -8.626 5.415 -3.246 3 HB2 SER 8 HB2 SER 8 -6.693 3.951 -2.421 4 HB3 SER 8 HB3 SER 8 -6.937 4.109 -4.162 5 HG SER 8 HG SER 8 -4.902 4.638 -4.133 No H/Q in entry = 5 In of MODEL 2 1 H LEU 9 H LEU 9 -7.089 8.106 -1.964 2 HA LEU 9 HA LEU 9 -6.665 7.388 0.679 3 HB2 LEU 9 HB2 LEU 9 -7.750 9.959 -0.414 4 HB3 LEU 9 HB3 LEU 9 -7.102 9.738 1.201 5 HG LEU 9 HG LEU 9 -5.466 9.150 -1.236 6 HD11 LEU 9 HD11 LEU 9 -6.345 11.398 -1.392 7 HD12 LEU 9 HD12 LEU 9 -5.688 11.778 0.199 8 HD13 LEU 9 HD13 LEU 9 -4.601 11.381 -1.138 9 HD21 LEU 9 HD21 LEU 9 -4.687 8.286 0.918 10 HD22 LEU 9 HD22 LEU 9 -3.609 9.522 0.272 11 HD23 LEU 9 HD23 LEU 9 -4.722 9.920 1.578 No H/Q in entry = 11 In of MODEL 2 1 H ASP 10 H ASP 10 -9.572 7.600 -1.014 2 HA ASP 10 HA ASP 10 -11.181 7.394 1.427 3 HB2 ASP 10 HB2 ASP 10 -12.035 7.699 -1.458 4 HB3 ASP 10 HB3 ASP 10 -13.115 7.687 -0.068 No H/Q in entry = 4 In of MODEL 2 1 H THR 11 H THR 11 -9.518 5.329 -0.485 2 HA THR 11 HA THR 11 -11.444 3.193 0.105 3 HB THR 11 HB THR 11 -10.675 2.012 -1.985 4 HG1 THR 11 HG1 THR 11 -10.016 3.944 -3.539 5 HG21 THR 11 HG21 THR 11 -12.132 4.637 -2.317 6 HG22 THR 11 HG22 THR 11 -12.147 3.308 -3.475 7 HG23 THR 11 HG23 THR 11 -12.855 3.090 -1.874 No H/Q in entry = 7 In of MODEL 2 1 H HIS 12 H HIS 12 -8.373 2.667 -1.545 2 HA HIS 12 HA HIS 12 -7.579 0.718 0.282 3 HB2 HIS 12 HB2 HIS 12 -5.739 2.280 -1.538 4 HB3 HIS 12 HB3 HIS 12 -5.409 0.706 -0.829 5 HD1 HIS 12 HD1 HIS 12 -7.325 -1.192 -1.655 6 HD2 HIS 12 HD2 HIS 12 -6.620 2.111 -4.066 7 HE1 HIS 12 HE1 HIS 12 -8.138 -1.835 -3.949 8 HE2 HIS 12 HE2 HIS 12 -7.957 0.279 -5.299 No H/Q in entry = 8 In of MODEL 2 1 H LEU 13 H LEU 13 -6.878 4.156 0.135 2 HA LEU 13 HA LEU 13 -4.998 3.847 2.376 3 HB2 LEU 13 HB2 LEU 13 -5.249 5.874 0.187 4 HB3 LEU 13 HB3 LEU 13 -4.416 6.282 1.675 5 HG LEU 13 HG LEU 13 -2.761 5.651 0.096 6 HD11 LEU 13 HD11 LEU 13 -2.437 4.799 2.375 7 HD12 LEU 13 HD12 LEU 13 -3.209 3.284 1.907 8 HD13 LEU 13 HD13 LEU 13 -1.689 3.766 1.157 9 HD21 LEU 13 HD21 LEU 13 -4.200 4.463 -1.480 10 HD22 LEU 13 HD22 LEU 13 -2.754 3.533 -1.093 11 HD23 LEU 13 HD23 LEU 13 -4.299 3.101 -0.362 No H/Q in entry = 11 In of MODEL 2 1 H LYS 14 H LYS 14 -7.952 4.005 2.440 2 HA LYS 14 HA LYS 14 -8.763 6.573 3.304 3 HB2 LYS 14 HB2 LYS 14 -10.877 5.599 3.773 4 HB3 LYS 14 HB3 LYS 14 -10.262 4.831 2.324 5 HG2 LYS 14 HG2 LYS 14 -9.548 2.904 3.703 6 HG3 LYS 14 HG3 LYS 14 -10.296 3.673 5.105 7 HD2 LYS 14 HD2 LYS 14 -11.680 2.768 2.579 8 HD3 LYS 14 HD3 LYS 14 -11.816 2.039 4.179 9 HE2 LYS 14 HE2 LYS 14 -12.785 4.164 5.010 10 HE3 LYS 14 HE3 LYS 14 -12.725 4.797 3.366 11 HZ1 LYS 14 HZ1 LYS 14 -14.213 3.010 2.680 12 HZ2 LYS 14 HZ2 LYS 14 -14.293 2.446 4.271 13 HZ3 LYS 14 HZ3 LYS 14 -14.915 3.967 3.881 No H/Q in entry = 13 In of MODEL 2 1 H TRP 15 H TRP 15 -7.179 4.033 4.913 2 HA TRP 15 HA TRP 15 -8.164 4.585 7.543 3 HB2 TRP 15 HB2 TRP 15 -6.350 3.027 8.260 4 HB3 TRP 15 HB3 TRP 15 -7.418 2.345 7.034 5 HD1 TRP 15 HD1 TRP 15 -6.412 2.082 4.549 6 HE1 TRP 15 HE1 TRP 15 -3.991 1.866 3.717 7 HE3 TRP 15 HE3 TRP 15 -3.975 3.724 8.730 8 HZ2 TRP 15 HZ2 TRP 15 -1.383 2.315 4.712 9 HZ3 TRP 15 HZ3 TRP 15 -1.516 3.791 8.712 10 HH2 TRP 15 HH2 TRP 15 -0.249 3.100 6.742 No H/Q in entry = 10 In of MODEL 2 1 H LEU 16 H LEU 16 -5.988 6.158 5.513 2 HA LEU 16 HA LEU 16 -4.202 7.176 7.526 3 HB2 LEU 16 HB2 LEU 16 -4.876 8.219 4.764 4 HB3 LEU 16 HB3 LEU 16 -3.622 8.877 5.789 5 HG LEU 16 HG LEU 16 -3.611 6.054 4.698 6 HD11 LEU 16 HD11 LEU 16 -3.446 7.818 2.947 7 HD12 LEU 16 HD12 LEU 16 -2.004 8.436 3.768 8 HD13 LEU 16 HD13 LEU 16 -2.009 6.802 3.089 9 HD21 LEU 16 HD21 LEU 16 -1.508 7.698 6.107 10 HD22 LEU 16 HD22 LEU 16 -2.283 6.229 6.707 11 HD23 LEU 16 HD23 LEU 16 -1.206 6.156 5.306 No H/Q in entry = 11 In of MODEL 2 1 H SER 17 H SER 17 -4.294 9.153 8.517 2 HA SER 17 HA SER 17 -6.933 10.268 8.868 3 HB2 SER 17 HB2 SER 17 -5.296 10.023 10.751 4 HB3 SER 17 HB3 SER 17 -4.310 11.265 9.992 5 HG SER 17 HG SER 17 -6.347 11.588 11.635 No H/Q in entry = 5 In of MODEL 2 1 H GLN 18 H GLN 18 -7.296 12.684 8.630 2 HA GLN 18 HA GLN 18 -6.860 13.387 5.958 3 HB2 GLN 18 HB2 GLN 18 -8.540 14.297 7.814 4 HB3 GLN 18 HB3 GLN 18 -7.317 15.547 7.970 5 HG2 GLN 18 HG2 GLN 18 -8.661 14.833 5.376 6 HG3 GLN 18 HG3 GLN 18 -9.222 16.100 6.459 7 HE21 GLN 18 HE21 GLN 18 -6.926 15.204 4.062 8 HE22 GLN 18 HE22 GLN 18 -6.141 16.738 3.933 No H/Q in entry = 8 In of MODEL 2 1 H GLU 19 H GLU 19 -5.220 14.499 8.899 2 HA GLU 19 HA GLU 19 -3.440 16.286 7.732 3 HB2 GLU 19 HB2 GLU 19 -3.761 14.914 10.256 4 HB3 GLU 19 HB3 GLU 19 -2.070 15.007 9.817 5 HG2 GLU 19 HG2 GLU 19 -3.963 17.330 10.002 6 HG3 GLU 19 HG3 GLU 19 -2.764 16.878 11.207 No H/Q in entry = 6 In of MODEL 2 1 H GLN 20 H GLN 20 -3.304 12.771 7.993 2 HA GLN 20 HA GLN 20 -0.626 12.572 7.018 3 HB2 GLN 20 HB2 GLN 20 -2.757 10.426 6.969 4 HB3 GLN 20 HB3 GLN 20 -1.017 10.190 6.886 5 HG2 GLN 20 HG2 GLN 20 -0.815 11.092 9.164 6 HG3 GLN 20 HG3 GLN 20 -2.566 11.228 9.242 7 HE21 GLN 20 HE21 GLN 20 0.140 9.122 9.423 8 HE22 GLN 20 HE22 GLN 20 -0.731 7.692 9.859 No H/Q in entry = 8 In of MODEL 2 1 H LYS 21 H LYS 21 -3.857 12.191 5.566 2 HA LYS 21 HA LYS 21 -3.053 11.536 2.976 3 HB2 LYS 21 HB2 LYS 21 -5.426 13.227 3.789 4 HB3 LYS 21 HB3 LYS 21 -5.231 12.398 2.251 5 HG2 LYS 21 HG2 LYS 21 -5.253 10.245 3.413 6 HG3 LYS 21 HG3 LYS 21 -5.454 11.085 4.950 7 HD2 LYS 21 HD2 LYS 21 -7.582 11.992 4.195 8 HD3 LYS 21 HD3 LYS 21 -7.379 11.202 2.631 9 HE2 LYS 21 HE2 LYS 21 -7.368 9.018 3.755 10 HE3 LYS 21 HE3 LYS 21 -7.606 9.821 5.305 11 HZ1 LYS 21 HZ1 LYS 21 -9.717 10.692 4.448 12 HZ2 LYS 21 HZ2 LYS 21 -9.489 9.837 3.010 13 HZ3 LYS 21 HZ3 LYS 21 -9.689 9.004 4.466 No H/Q in entry = 13 In of MODEL 2 1 H ASP 22 H ASP 22 -3.697 14.711 4.389 2 HA ASP 22 HA ASP 22 -2.913 16.271 2.173 3 HB2 ASP 22 HB2 ASP 22 -4.223 17.105 4.128 4 HB3 ASP 22 HB3 ASP 22 -2.763 17.004 5.103 No H/Q in entry = 4 In of MODEL 2 1 H GLU 23 H GLU 23 -1.043 14.924 4.887 2 HA GLU 23 HA GLU 23 1.408 16.117 4.320 3 HB2 GLU 23 HB2 GLU 23 0.776 14.828 6.359 4 HB3 GLU 23 HB3 GLU 23 0.841 13.358 5.401 5 HG2 GLU 23 HG2 GLU 23 3.170 13.748 4.946 6 HG3 GLU 23 HG3 GLU 23 3.107 15.233 5.886 No H/Q in entry = 6 In of MODEL 2 1 H LEU 24 H LEU 24 0.088 12.958 3.295 2 HA LEU 24 HA LEU 24 2.281 12.168 1.731 3 HB2 LEU 24 HB2 LEU 24 -0.626 11.406 1.822 4 HB3 LEU 24 HB3 LEU 24 0.432 10.717 0.613 5 HG LEU 24 HG LEU 24 -0.043 9.375 2.769 6 HD11 LEU 24 HD11 LEU 24 1.637 8.770 1.094 7 HD12 LEU 24 HD12 LEU 24 2.815 9.772 1.940 8 HD13 LEU 24 HD13 LEU 24 2.125 8.358 2.739 9 HD21 LEU 24 HD21 LEU 24 1.815 11.449 3.829 10 HD22 LEU 24 HD22 LEU 24 0.314 10.821 4.517 11 HD23 LEU 24 HD23 LEU 24 1.762 9.818 4.493 No H/Q in entry = 11 In of MODEL 2 1 H LEU 25 H LEU 25 -0.735 13.855 0.890 2 HA LEU 25 HA LEU 25 -0.311 14.051 -1.877 3 HB2 LEU 25 HB2 LEU 25 -1.832 15.813 0.040 4 HB3 LEU 25 HB3 LEU 25 -1.845 16.053 -1.693 5 HG LEU 25 HG LEU 25 -2.821 13.571 -0.281 6 HD11 LEU 25 HD11 LEU 25 -4.349 15.821 -1.582 7 HD12 LEU 25 HD12 LEU 25 -5.049 14.335 -0.941 8 HD13 LEU 25 HD13 LEU 25 -4.267 15.480 0.147 9 HD21 LEU 25 HD21 LEU 25 -2.914 14.393 -3.181 10 HD22 LEU 25 HD22 LEU 25 -1.965 13.078 -2.494 11 HD23 LEU 25 HD23 LEU 25 -3.725 12.986 -2.495 No H/Q in entry = 11 In of MODEL 2 1 H LYS 26 H LYS 26 0.748 16.045 0.800 2 HA LYS 26 HA LYS 26 1.733 18.238 -0.680 3 HB2 LYS 26 HB2 LYS 26 1.272 18.193 1.780 4 HB3 LYS 26 HB3 LYS 26 2.696 17.197 1.988 5 HG2 LYS 26 HG2 LYS 26 2.974 19.831 0.631 6 HG3 LYS 26 HG3 LYS 26 2.774 19.784 2.381 7 HD2 LYS 26 HD2 LYS 26 4.919 18.357 0.807 8 HD3 LYS 26 HD3 LYS 26 5.137 19.840 1.740 9 HE2 LYS 26 HE2 LYS 26 4.378 17.125 2.818 10 HE3 LYS 26 HE3 LYS 26 5.927 17.937 3.012 11 HZ1 LYS 26 HZ1 LYS 26 4.812 19.676 4.276 12 HZ2 LYS 26 HZ2 LYS 26 3.329 18.877 4.108 13 HZ3 LYS 26 HZ3 LYS 26 4.580 18.163 4.992 No H/Q in entry = 13 In of MODEL 2 1 H MET 27 H MET 27 3.304 15.293 0.521 2 HA MET 27 HA MET 27 5.829 15.775 -0.465 3 HB2 MET 27 HB2 MET 27 4.458 13.089 -0.283 4 HB3 MET 27 HB3 MET 27 6.192 13.354 -0.405 5 HG2 MET 27 HG2 MET 27 5.754 14.825 1.747 6 HG3 MET 27 HG3 MET 27 4.361 13.756 1.893 7 HE1 MET 27 HE1 MET 27 5.457 11.156 0.568 8 HE2 MET 27 HE2 MET 27 6.241 10.236 1.855 9 HE3 MET 27 HE3 MET 27 4.661 10.977 2.131 No H/Q in entry = 9 In of MODEL 2 1 H LYS 28 H LYS 28 3.205 14.033 -2.200 2 HA LYS 28 HA LYS 28 4.697 13.552 -4.553 3 HB2 LYS 28 HB2 LYS 28 2.518 12.465 -3.967 4 HB3 LYS 28 HB3 LYS 28 1.719 13.962 -4.444 5 HG2 LYS 28 HG2 LYS 28 2.656 13.771 -6.682 6 HG3 LYS 28 HG3 LYS 28 3.498 12.297 -6.216 7 HD2 LYS 28 HD2 LYS 28 1.283 11.252 -5.766 8 HD3 LYS 28 HD3 LYS 28 0.515 12.708 -6.406 9 HE2 LYS 28 HE2 LYS 28 1.775 12.364 -8.526 10 HE3 LYS 28 HE3 LYS 28 2.369 10.839 -7.879 11 HZ1 LYS 28 HZ1 LYS 28 -0.486 11.505 -8.323 12 HZ2 LYS 28 HZ2 LYS 28 0.459 10.545 -9.343 13 HZ3 LYS 28 HZ3 LYS 28 0.118 10.026 -7.772 No H/Q in entry = 13 In of MODEL 2 1 H LYS 29 H LYS 29 2.650 16.260 -3.581 2 HA LYS 29 HA LYS 29 2.729 17.576 -6.080 3 HB2 LYS 29 HB2 LYS 29 2.070 18.569 -3.315 4 HB3 LYS 29 HB3 LYS 29 1.940 19.575 -4.751 5 HG2 LYS 29 HG2 LYS 29 0.281 18.095 -5.688 6 HG3 LYS 29 HG3 LYS 29 0.470 16.979 -4.334 7 HD2 LYS 29 HD2 LYS 29 -1.522 18.365 -4.055 8 HD3 LYS 29 HD3 LYS 29 -0.332 18.704 -2.797 9 HE2 LYS 29 HE2 LYS 29 0.408 20.682 -4.037 10 HE3 LYS 29 HE3 LYS 29 -0.786 20.343 -5.287 11 HZ1 LYS 29 HZ1 LYS 29 -1.397 20.950 -2.446 12 HZ2 LYS 29 HZ2 LYS 29 -1.559 22.026 -3.740 13 HZ3 LYS 29 HZ3 LYS 29 -2.534 20.650 -3.661 No H/Q in entry = 13 In of MODEL 2 1 H ASP 30 H ASP 30 4.886 17.659 -3.331 2 HA ASP 30 HA ASP 30 6.222 20.024 -4.366 3 HB2 ASP 30 HB2 ASP 30 5.832 19.671 -1.901 4 HB3 ASP 30 HB3 ASP 30 6.989 18.348 -1.962 No H/Q in entry = 4 In of MODEL 2 1 H GLY 31 H GLY 31 6.289 16.806 -4.970 2 HA2 GLY 31 HA2 GLY 31 8.784 17.168 -6.434 3 HA3 GLY 31 HA3 GLY 31 7.533 15.992 -6.791 No H/Q in entry = 3 In of MODEL 2 1 H LYS 32 H LYS 32 7.536 15.302 -3.817 2 HA LYS 32 HA LYS 32 10.013 13.984 -3.398 3 HB2 LYS 32 HB2 LYS 32 7.277 13.572 -2.193 4 HB3 LYS 32 HB3 LYS 32 8.685 12.635 -1.716 5 HG2 LYS 32 HG2 LYS 32 8.252 15.591 -1.383 6 HG3 LYS 32 HG3 LYS 32 8.398 14.369 -0.121 7 HD2 LYS 32 HD2 LYS 32 10.732 13.950 -1.266 8 HD3 LYS 32 HD3 LYS 32 10.504 15.606 -1.827 9 HE2 LYS 32 HE2 LYS 32 11.742 15.672 0.217 10 HE3 LYS 32 HE3 LYS 32 10.121 16.282 0.537 11 HZ1 LYS 32 HZ1 LYS 32 10.958 13.481 1.061 12 HZ2 LYS 32 HZ2 LYS 32 10.985 14.707 2.234 13 HZ3 LYS 32 HZ3 LYS 32 9.518 14.228 1.544 No H/Q in entry = 13 In of MODEL 2 1 H ALA 33 H ALA 33 10.412 11.779 -3.536 2 HA ALA 33 HA ALA 33 9.423 10.548 -5.929 3 HB1 ALA 33 HB1 ALA 33 11.761 10.311 -5.197 4 HB2 ALA 33 HB2 ALA 33 10.971 8.747 -5.394 5 HB3 ALA 33 HB3 ALA 33 11.212 9.414 -3.779 No H/Q in entry = 5 In of MODEL 2 1 H LYS 34 H LYS 34 8.249 8.584 -6.096 2 HA LYS 34 HA LYS 34 6.137 8.153 -4.327 3 HB2 LYS 34 HB2 LYS 34 7.401 6.093 -6.133 4 HB3 LYS 34 HB3 LYS 34 5.788 6.026 -5.440 5 HG2 LYS 34 HG2 LYS 34 5.489 8.309 -6.688 6 HG3 LYS 34 HG3 LYS 34 6.828 7.704 -7.665 7 HD2 LYS 34 HD2 LYS 34 4.151 6.389 -7.220 8 HD3 LYS 34 HD3 LYS 34 4.761 7.085 -8.722 9 HE2 LYS 34 HE2 LYS 34 5.907 4.690 -7.291 10 HE3 LYS 34 HE3 LYS 34 4.886 4.639 -8.726 11 HZ1 LYS 34 HZ1 LYS 34 6.618 5.900 -9.902 12 HZ2 LYS 34 HZ2 LYS 34 7.605 5.815 -8.533 13 HZ3 LYS 34 HZ3 LYS 34 7.170 4.396 -9.348 No H/Q in entry = 13 In of MODEL 2 1 H LYS 35 H LYS 35 9.386 6.835 -4.388 2 HA LYS 35 HA LYS 35 9.113 4.798 -2.503 3 HB2 LYS 35 HB2 LYS 35 11.384 6.470 -3.457 4 HB3 LYS 35 HB3 LYS 35 11.614 5.528 -1.991 5 HG2 LYS 35 HG2 LYS 35 12.417 4.263 -3.844 6 HG3 LYS 35 HG3 LYS 35 10.946 3.499 -3.243 7 HD2 LYS 35 HD2 LYS 35 9.695 4.711 -5.048 8 HD3 LYS 35 HD3 LYS 35 11.255 5.221 -5.696 9 HE2 LYS 35 HE2 LYS 35 10.311 2.381 -5.340 10 HE3 LYS 35 HE3 LYS 35 10.445 3.249 -6.866 11 HZ1 LYS 35 HZ1 LYS 35 12.703 2.574 -5.062 12 HZ2 LYS 35 HZ2 LYS 35 12.322 1.781 -6.505 13 HZ3 LYS 35 HZ3 LYS 35 12.828 3.391 -6.535 No H/Q in entry = 13 In of MODEL 2 1 H GLU 36 H GLU 36 8.949 8.212 -2.037 2 HA GLU 36 HA GLU 36 9.653 8.063 0.772 3 HB2 GLU 36 HB2 GLU 36 8.619 10.411 -0.817 4 HB3 GLU 36 HB3 GLU 36 9.362 10.462 0.779 5 HG2 GLU 36 HG2 GLU 36 11.433 9.534 -0.229 6 HG3 GLU 36 HG3 GLU 36 10.674 9.689 -1.801 No H/Q in entry = 6 In of MODEL 2 1 H LEU 37 H LEU 37 6.902 8.263 -1.308 2 HA LEU 37 HA LEU 37 4.905 8.466 0.669 3 HB2 LEU 37 HB2 LEU 37 4.951 7.312 -2.117 4 HB3 LEU 37 HB3 LEU 37 3.491 7.492 -1.169 5 HG LEU 37 HG LEU 37 3.851 9.234 -2.884 6 HD11 LEU 37 HD11 LEU 37 3.734 10.169 -0.042 7 HD12 LEU 37 HD12 LEU 37 3.231 11.118 -1.439 8 HD13 LEU 37 HD13 LEU 37 2.370 9.635 -1.022 9 HD21 LEU 37 HD21 LEU 37 6.081 10.158 -1.121 10 HD22 LEU 37 HD22 LEU 37 6.222 9.567 -2.774 11 HD23 LEU 37 HD23 LEU 37 5.378 11.082 -2.447 No H/Q in entry = 11 In of MODEL 2 1 H GLU 38 H GLU 38 6.376 5.756 -1.058 2 HA GLU 38 HA GLU 38 5.070 3.585 0.058 3 HB2 GLU 38 HB2 GLU 38 7.990 3.878 -0.647 4 HB3 GLU 38 HB3 GLU 38 7.211 2.346 -0.297 5 HG2 GLU 38 HG2 GLU 38 5.887 2.482 -2.253 6 HG3 GLU 38 HG3 GLU 38 6.373 4.159 -2.539 No H/Q in entry = 6 In of MODEL 2 1 H ALA 39 H ALA 39 7.393 5.716 1.459 2 HA ALA 39 HA ALA 39 8.093 3.851 3.575 3 HB1 ALA 39 HB1 ALA 39 9.090 6.646 3.047 4 HB2 ALA 39 HB2 ALA 39 9.748 5.501 4.215 5 HB3 ALA 39 HB3 ALA 39 9.850 5.157 2.489 No H/Q in entry = 5 In of MODEL 2 1 H LYS 40 H LYS 40 6.486 6.967 3.230 2 HA LYS 40 HA LYS 40 5.862 7.414 5.913 3 HB2 LYS 40 HB2 LYS 40 5.275 8.614 3.479 4 HB3 LYS 40 HB3 LYS 40 3.705 8.075 4.054 5 HG2 LYS 40 HG2 LYS 40 3.950 10.278 4.822 6 HG3 LYS 40 HG3 LYS 40 4.245 9.249 6.227 7 HD2 LYS 40 HD2 LYS 40 6.601 9.537 6.034 8 HD3 LYS 40 HD3 LYS 40 6.420 10.327 4.474 9 HE2 LYS 40 HE2 LYS 40 6.843 12.040 6.043 10 HE3 LYS 40 HE3 LYS 40 5.133 12.132 5.645 11 HZ1 LYS 40 HZ1 LYS 40 4.682 10.857 7.699 12 HZ2 LYS 40 HZ2 LYS 40 6.325 10.966 8.096 13 HZ3 LYS 40 HZ3 LYS 40 5.388 12.370 7.985 No H/Q in entry = 13 In of MODEL 2 1 H ILE 41 H ILE 41 3.906 5.843 3.375 2 HA ILE 41 HA ILE 41 1.755 5.154 5.027 3 HB ILE 41 HB ILE 41 2.669 3.866 2.454 4 HG12 ILE 41 HG12 ILE 41 0.619 6.038 2.915 5 HG13 ILE 41 HG13 ILE 41 2.268 6.329 2.369 6 HG21 ILE 41 HG21 ILE 41 1.098 2.464 3.685 7 HG22 ILE 41 HG22 ILE 41 -0.025 3.816 3.803 8 HG23 ILE 41 HG23 ILE 41 0.358 3.121 2.227 9 HD11 ILE 41 HD11 ILE 41 1.831 5.004 0.372 10 HD12 ILE 41 HD12 ILE 41 0.174 4.740 0.918 11 HD13 ILE 41 HD13 ILE 41 0.721 6.368 0.519 No H/Q in entry = 11 In of MODEL 2 1 H LEU 42 H LEU 42 4.550 3.248 3.938 2 HA LEU 42 HA LEU 42 3.813 0.867 5.241 3 HB2 LEU 42 HB2 LEU 42 6.412 1.949 4.231 4 HB3 LEU 42 HB3 LEU 42 6.350 0.418 5.068 5 HG LEU 42 HG LEU 42 4.961 1.129 2.487 6 HD11 LEU 42 HD11 LEU 42 7.163 -0.817 3.125 7 HD12 LEU 42 HD12 LEU 42 6.382 -0.632 1.555 8 HD13 LEU 42 HD13 LEU 42 7.320 0.696 2.233 9 HD21 LEU 42 HD21 LEU 42 4.761 -1.351 4.178 10 HD22 LEU 42 HD22 LEU 42 3.459 -0.281 3.658 11 HD23 LEU 42 HD23 LEU 42 4.296 -1.287 2.477 No H/Q in entry = 11 In of MODEL 2 1 H HIS 43 H HIS 43 5.612 3.689 6.315 2 HA HIS 43 HA HIS 43 6.381 2.675 8.839 3 HB2 HIS 43 HB2 HIS 43 7.337 4.740 7.901 4 HB3 HIS 43 HB3 HIS 43 5.765 5.523 8.014 5 HD1 HIS 43 HD1 HIS 43 8.048 3.729 10.488 6 HD2 HIS 43 HD2 HIS 43 5.672 7.118 10.164 7 HE1 HIS 43 HE1 HIS 43 8.258 4.909 12.694 8 HE2 HIS 43 HE2 HIS 43 6.694 6.871 12.529 No H/Q in entry = 8 In of MODEL 2 1 H TYR 44 H TYR 44 3.535 4.574 7.816 2 HA TYR 44 HA TYR 44 2.235 4.631 10.306 3 HB2 TYR 44 HB2 TYR 44 1.026 4.683 7.531 4 HB3 TYR 44 HB3 TYR 44 0.189 5.135 9.014 5 HD1 TYR 44 HD1 TYR 44 2.386 6.585 10.377 6 HD2 TYR 44 HD2 TYR 44 1.053 6.729 6.343 7 HE1 TYR 44 HE1 TYR 44 3.269 8.846 10.178 8 HE2 TYR 44 HE2 TYR 44 1.954 9.016 6.118 9 HH TYR 44 HH TYR 44 2.494 10.955 7.749 No H/Q in entry = 9 In of MODEL 2 1 H TYR 45 H TYR 45 2.315 2.296 7.746 2 HA TYR 45 HA TYR 45 0.231 0.607 8.578 3 HB2 TYR 45 HB2 TYR 45 1.124 0.540 6.324 4 HB3 TYR 45 HB3 TYR 45 2.724 0.142 6.933 5 HD1 TYR 45 HD1 TYR 45 -0.743 -1.152 6.931 6 HD2 TYR 45 HD2 TYR 45 3.404 -2.047 6.916 7 HE1 TYR 45 HE1 TYR 45 -1.270 -3.532 6.700 8 HE2 TYR 45 HE2 TYR 45 2.899 -4.436 6.682 9 HH TYR 45 HH TYR 45 1.041 -5.981 7.147 No H/Q in entry = 9 In of MODEL 2 1 H ASP 46 H ASP 46 3.724 0.585 9.222 2 HA ASP 46 HA ASP 46 3.587 -1.889 10.665 3 HB2 ASP 46 HB2 ASP 46 5.602 -1.317 9.413 4 HB3 ASP 46 HB3 ASP 46 5.826 0.133 10.381 No H/Q in entry = 4 In of MODEL 2 1 H GLU 47 H GLU 47 3.114 1.395 11.533 2 HA GLU 47 HA GLU 47 3.674 0.848 14.330 3 HB2 GLU 47 HB2 GLU 47 3.166 3.208 14.706 4 HB3 GLU 47 HB3 GLU 47 4.397 2.996 13.474 5 HG2 GLU 47 HG2 GLU 47 2.752 3.392 11.746 6 HG3 GLU 47 HG3 GLU 47 1.492 3.568 12.964 No H/Q in entry = 6 In of MODEL 2 1 H LEU 48 H LEU 48 1.210 0.169 12.311 2 HA LEU 48 HA LEU 48 -1.023 1.022 13.813 3 HB2 LEU 48 HB2 LEU 48 -0.659 -0.990 11.631 4 HB3 LEU 48 HB3 LEU 48 -2.193 -0.796 12.453 5 HG LEU 48 HG LEU 48 -0.764 1.336 10.862 6 HD11 LEU 48 HD11 LEU 48 -1.705 -0.472 9.526 7 HD12 LEU 48 HD12 LEU 48 -3.256 -0.251 10.339 8 HD13 LEU 48 HD13 LEU 48 -2.609 1.028 9.311 9 HD21 LEU 48 HD21 LEU 48 -3.402 1.333 12.316 10 HD22 LEU 48 HD22 LEU 48 -2.013 2.378 12.629 11 HD23 LEU 48 HD23 LEU 48 -2.927 2.540 11.124 No H/Q in entry = 11 In of MODEL 2 1 H GLU 49 H GLU 49 -2.193 -0.007 15.190 2 HA GLU 49 HA GLU 49 -0.910 -1.671 16.999 3 HB2 GLU 49 HB2 GLU 49 -3.304 -1.963 17.980 4 HB3 GLU 49 HB3 GLU 49 -2.501 -0.405 18.024 5 HG2 GLU 49 HG2 GLU 49 -4.373 0.408 17.169 6 HG3 GLU 49 HG3 GLU 49 -3.858 -0.311 15.648 No H/Q in entry = 6 In of MODEL 2 1 H GLY 50 H GLY 50 -4.019 -2.820 15.637 2 HA2 GLY 50 HA2 GLY 50 -3.861 -5.413 16.229 3 HA3 GLY 50 HA3 GLY 50 -2.729 -5.329 14.888 No H/Q in entry = 3 In of MODEL 2 1 H ASP 51 H ASP 51 -6.037 -4.313 15.715 2 HA ASP 51 HA ASP 51 -7.136 -5.671 13.434 3 HB2 ASP 51 HB2 ASP 51 -8.418 -3.662 15.306 4 HB3 ASP 51 HB3 ASP 51 -9.273 -4.669 14.145 No H/Q in entry = 4 In of MODEL 2 1 H ALA 52 H ALA 52 -6.387 -2.322 14.273 2 HA ALA 52 HA ALA 52 -7.250 -1.110 11.868 3 HB1 ALA 52 HB1 ALA 52 -4.887 -0.376 13.599 4 HB2 ALA 52 HB2 ALA 52 -5.658 0.653 12.388 5 HB3 ALA 52 HB3 ALA 52 -6.547 0.176 13.836 No H/Q in entry = 5 In of MODEL 2 1 H LYS 53 H LYS 53 -4.214 -2.568 12.847 2 HA LYS 53 HA LYS 53 -2.733 -2.198 10.525 3 HB2 LYS 53 HB2 LYS 53 -2.058 -3.114 12.865 4 HB3 LYS 53 HB3 LYS 53 -2.515 -4.679 12.215 5 HG2 LYS 53 HG2 LYS 53 -0.520 -2.929 10.820 6 HG3 LYS 53 HG3 LYS 53 -0.050 -3.999 12.140 7 HD2 LYS 53 HD2 LYS 53 -1.047 -5.892 10.853 8 HD3 LYS 53 HD3 LYS 53 -1.295 -4.776 9.509 9 HE2 LYS 53 HE2 LYS 53 1.098 -4.360 9.376 10 HE3 LYS 53 HE3 LYS 53 1.376 -5.398 10.770 11 HZ1 LYS 53 HZ1 LYS 53 0.432 -7.252 9.456 12 HZ2 LYS 53 HZ2 LYS 53 0.364 -6.231 8.106 13 HZ3 LYS 53 HZ3 LYS 53 1.856 -6.624 8.801 No H/Q in entry = 13 In of MODEL 2 1 H LYS 54 H LYS 54 -4.670 -5.006 11.529 2 HA LYS 54 HA LYS 54 -4.473 -6.527 9.222 3 HB2 LYS 54 HB2 LYS 54 -5.804 -7.885 10.338 4 HB3 LYS 54 HB3 LYS 54 -5.901 -6.664 11.594 5 HG2 LYS 54 HG2 LYS 54 -7.950 -5.858 10.817 6 HG3 LYS 54 HG3 LYS 54 -7.772 -6.658 9.249 7 HD2 LYS 54 HD2 LYS 54 -7.948 -8.826 10.338 8 HD3 LYS 54 HD3 LYS 54 -8.089 -8.040 11.911 9 HE2 LYS 54 HE2 LYS 54 -10.292 -8.617 11.259 10 HE3 LYS 54 HE3 LYS 54 -10.142 -6.880 11.012 11 HZ1 LYS 54 HZ1 LYS 54 -9.717 -7.336 8.638 12 HZ2 LYS 54 HZ2 LYS 54 -9.995 -8.980 8.924 13 HZ3 LYS 54 HZ3 LYS 54 -11.244 -7.866 9.146 No H/Q in entry = 13 In of MODEL 2 1 H GLU 55 H GLU 55 -6.756 -3.853 9.920 2 HA GLU 55 HA GLU 55 -8.324 -4.337 7.642 3 HB2 GLU 55 HB2 GLU 55 -9.515 -3.229 9.238 4 HB3 GLU 55 HB3 GLU 55 -8.078 -2.501 9.933 5 HG2 GLU 55 HG2 GLU 55 -9.086 -0.684 9.207 6 HG3 GLU 55 HG3 GLU 55 -8.175 -1.075 7.760 No H/Q in entry = 6 In of MODEL 2 1 H ALA 56 H ALA 56 -5.782 -1.969 8.474 2 HA ALA 56 HA ALA 56 -5.725 -0.748 5.974 3 HB1 ALA 56 HB1 ALA 56 -3.486 0.031 6.553 4 HB2 ALA 56 HB2 ALA 56 -3.373 -1.178 7.830 5 HB3 ALA 56 HB3 ALA 56 -4.540 0.139 7.966 No H/Q in entry = 5 In of MODEL 2 1 H THR 57 H THR 57 -3.843 -3.492 7.222 2 HA THR 57 HA THR 57 -2.303 -4.200 5.090 3 HB THR 57 HB THR 57 -3.886 -6.062 6.874 4 HG1 THR 57 HG1 THR 57 -2.482 -4.799 8.070 5 HG21 THR 57 HG21 THR 57 -1.484 -6.623 5.135 6 HG22 THR 57 HG22 THR 57 -2.193 -7.745 6.298 7 HG23 THR 57 HG23 THR 57 -3.120 -7.233 4.887 No H/Q in entry = 7 In of MODEL 2 1 H GLU 58 H GLU 58 -5.645 -5.103 5.643 2 HA GLU 58 HA GLU 58 -6.052 -6.620 3.307 3 HB2 GLU 58 HB2 GLU 58 -7.885 -5.224 5.247 4 HB3 GLU 58 HB3 GLU 58 -8.509 -6.118 3.863 5 HG2 GLU 58 HG2 GLU 58 -7.437 -8.141 4.688 6 HG3 GLU 58 HG3 GLU 58 -6.769 -7.237 6.048 No H/Q in entry = 6 In of MODEL 2 1 H HIS 59 H HIS 59 -6.227 -3.157 3.914 2 HA HIS 59 HA HIS 59 -7.593 -2.584 1.444 3 HB2 HIS 59 HB2 HIS 59 -6.202 -0.861 3.483 4 HB3 HIS 59 HB3 HIS 59 -6.796 -0.200 1.968 5 HD1 HIS 59 HD1 HIS 59 -9.544 -1.211 1.674 6 HD2 HIS 59 HD2 HIS 59 -7.968 -0.244 5.393 7 HE1 HIS 59 HE1 HIS 59 -11.526 -0.750 3.146 8 HE2 HIS 59 HE2 HIS 59 -10.549 -0.400 5.447 No H/Q in entry = 8 In of MODEL 2 1 H LEU 60 H LEU 60 -4.279 -2.087 2.661 2 HA LEU 60 HA LEU 60 -3.080 -1.337 0.315 3 HB2 LEU 60 HB2 LEU 60 -2.111 -2.737 2.767 4 HB3 LEU 60 HB3 LEU 60 -1.026 -2.480 1.411 5 HG LEU 60 HG LEU 60 -1.606 -0.065 1.542 6 HD11 LEU 60 HD11 LEU 60 -3.662 -0.212 2.728 7 HD12 LEU 60 HD12 LEU 60 -2.811 -0.795 4.162 8 HD13 LEU 60 HD13 LEU 60 -2.520 0.843 3.566 9 HD21 LEU 60 HD21 LEU 60 -0.266 -1.286 3.937 10 HD22 LEU 60 HD22 LEU 60 0.504 -0.884 2.402 11 HD23 LEU 60 HD23 LEU 60 -0.116 0.400 3.440 No H/Q in entry = 11 In of MODEL 2 1 H LYS 61 H LYS 61 -3.821 -4.609 1.494 2 HA LYS 61 HA LYS 61 -2.510 -6.091 -0.465 3 HB2 LYS 61 HB2 LYS 61 -4.991 -6.549 1.142 4 HB3 LYS 61 HB3 LYS 61 -4.650 -7.627 -0.203 5 HG2 LYS 61 HG2 LYS 61 -2.407 -8.054 0.835 6 HG3 LYS 61 HG3 LYS 61 -2.973 -7.158 2.246 7 HD2 LYS 61 HD2 LYS 61 -4.757 -8.730 2.602 8 HD3 LYS 61 HD3 LYS 61 -4.388 -9.558 1.088 9 HE2 LYS 61 HE2 LYS 61 -2.164 -10.142 2.014 10 HE3 LYS 61 HE3 LYS 61 -2.646 -9.417 3.545 11 HZ1 LYS 61 HZ1 LYS 61 -3.998 -11.715 2.232 12 HZ2 LYS 61 HZ2 LYS 61 -2.939 -11.821 3.544 13 HZ3 LYS 61 HZ3 LYS 61 -4.422 -11.033 3.718 No H/Q in entry = 13 In of MODEL 2 1 H GLY 62 H GLY 62 -5.872 -4.946 -0.477 2 HA2 GLY 62 HA2 GLY 62 -7.239 -4.308 -2.195 3 HA3 GLY 62 HA3 GLY 62 -6.476 -5.591 -3.117 No H/Q in entry = 3 In of MODEL 2 1 H GLY 63 H GLY 63 -4.968 -2.670 -1.785 2 HA2 GLY 63 HA2 GLY 63 -3.612 -1.121 -2.787 3 HA3 GLY 63 HA3 GLY 63 -4.850 -1.087 -4.032 No H/Q in entry = 3 In of MODEL 2 1 H CYS 64 H CYS 64 -2.273 -3.377 -3.043 2 HA CYS 64 HA CYS 64 -0.946 -2.977 -5.558 3 HB2 CYS 64 HB2 CYS 64 0.685 -4.613 -4.764 4 HB3 CYS 64 HB3 CYS 64 0.362 -3.395 -3.537 No H/Q in entry = 4 In of MODEL 2 1 H ARG 65 H ARG 65 -3.261 -5.209 -4.290 2 HA ARG 65 HA ARG 65 -3.029 -7.214 -6.287 3 HB2 ARG 65 HB2 ARG 65 -4.283 -7.365 -4.087 4 HB3 ARG 65 HB3 ARG 65 -5.540 -6.388 -4.825 5 HG2 ARG 65 HG2 ARG 65 -5.940 -8.116 -6.484 6 HG3 ARG 65 HG3 ARG 65 -4.641 -9.094 -5.792 7 HD2 ARG 65 HD2 ARG 65 -5.857 -9.142 -3.650 8 HD3 ARG 65 HD3 ARG 65 -7.166 -8.233 -4.389 9 HE ARG 65 HE ARG 65 -6.395 -10.983 -5.119 10 HH11 ARG 65 HH11 ARG 65 -8.763 -8.406 -4.975 11 HH12 ARG 65 HH12 ARG 65 -10.091 -9.436 -5.405 12 HH21 ARG 65 HH21 ARG 65 -8.142 -12.335 -5.678 13 HH22 ARG 65 HH22 ARG 65 -9.743 -11.670 -5.798 No H/Q in entry = 13 In of MODEL 2 1 H GLU 66 H GLU 66 -4.759 -4.161 -6.065 2 HA GLU 66 HA GLU 66 -6.173 -4.348 -8.500 3 HB2 GLU 66 HB2 GLU 66 -6.635 -2.772 -6.595 4 HB3 GLU 66 HB3 GLU 66 -5.197 -1.875 -7.059 5 HG2 GLU 66 HG2 GLU 66 -7.134 -0.778 -7.920 6 HG3 GLU 66 HG3 GLU 66 -6.199 -1.463 -9.245 No H/Q in entry = 6 In of MODEL 2 1 H ILE 67 H ILE 67 -2.983 -3.209 -7.565 2 HA ILE 67 HA ILE 67 -2.134 -2.321 -10.108 3 HB ILE 67 HB ILE 67 -0.588 -3.408 -7.756 4 HG12 ILE 67 HG12 ILE 67 -0.945 -0.625 -8.886 5 HG13 ILE 67 HG13 ILE 67 -1.697 -1.253 -7.422 6 HG21 ILE 67 HG21 ILE 67 0.677 -3.877 -9.822 7 HG22 ILE 67 HG22 ILE 67 0.542 -2.172 -10.269 8 HG23 ILE 67 HG23 ILE 67 1.456 -2.634 -8.833 9 HD11 ILE 67 HD11 ILE 67 1.251 -0.855 -7.862 10 HD12 ILE 67 HD12 ILE 67 0.188 0.184 -6.915 11 HD13 ILE 67 HD13 ILE 67 0.497 -1.470 -6.391 No H/Q in entry = 11 In of MODEL 2 1 H LEU 68 H LEU 68 -1.887 -5.456 -8.473 2 HA LEU 68 HA LEU 68 -0.633 -6.911 -10.495 3 HB2 LEU 68 HB2 LEU 68 -1.132 -7.656 -8.147 4 HB3 LEU 68 HB3 LEU 68 -2.798 -7.896 -8.633 5 HG LEU 68 HG LEU 68 -2.008 -9.575 -10.302 6 HD11 LEU 68 HD11 LEU 68 0.285 -8.756 -10.533 7 HD12 LEU 68 HD12 LEU 68 0.620 -9.238 -8.871 8 HD13 LEU 68 HD13 LEU 68 0.244 -10.461 -10.083 9 HD21 LEU 68 HD21 LEU 68 -1.288 -10.097 -7.423 10 HD22 LEU 68 HD22 LEU 68 -2.891 -10.261 -8.141 11 HD23 LEU 68 HD23 LEU 68 -1.581 -11.328 -8.651 No H/Q in entry = 11 In of MODEL 2 1 H LYS 69 H LYS 69 -3.992 -6.055 -9.998 2 HA LYS 69 HA LYS 69 -5.112 -7.538 -12.091 3 HB2 LYS 69 HB2 LYS 69 -6.332 -6.416 -10.196 4 HB3 LYS 69 HB3 LYS 69 -6.121 -4.893 -11.051 5 HG2 LYS 69 HG2 LYS 69 -7.394 -5.739 -12.927 6 HG3 LYS 69 HG3 LYS 69 -7.551 -7.301 -12.126 7 HD2 LYS 69 HD2 LYS 69 -8.833 -6.293 -10.337 8 HD3 LYS 69 HD3 LYS 69 -8.606 -4.691 -11.047 9 HE2 LYS 69 HE2 LYS 69 -10.046 -7.004 -12.337 10 HE3 LYS 69 HE3 LYS 69 -10.818 -5.621 -11.559 11 HZ1 LYS 69 HZ1 LYS 69 -9.613 -4.202 -13.206 12 HZ2 LYS 69 HZ2 LYS 69 -9.155 -5.619 -14.021 13 HZ3 LYS 69 HZ3 LYS 69 -10.792 -5.211 -13.877 No H/Q in entry = 13 In of MODEL 2 1 H HIS 70 H HIS 70 -3.098 -4.822 -12.199 2 HA HIS 70 HA HIS 70 -3.956 -4.089 -14.914 3 HB2 HIS 70 HB2 HIS 70 -3.793 -2.182 -13.422 4 HB3 HIS 70 HB3 HIS 70 -2.179 -2.662 -12.916 5 HD1 HIS 70 HD1 HIS 70 -4.004 -0.778 -15.522 6 HD2 HIS 70 HD2 HIS 70 -0.136 -2.183 -14.868 7 HE1 HIS 70 HE1 HIS 70 -2.544 0.465 -17.153 8 HE2 HIS 70 HE2 HIS 70 -0.205 -0.357 -16.708 No H/Q in entry = 8 In of MODEL 2 1 H VAL 71 H VAL 71 -1.288 -5.025 -12.919 2 HA VAL 71 HA VAL 71 0.697 -4.724 -14.920 3 HB VAL 71 HB VAL 71 0.546 -5.416 -12.021 4 HG11 VAL 71 HG11 VAL 71 3.039 -5.543 -13.671 5 HG12 VAL 71 HG12 VAL 71 2.969 -5.486 -11.902 6 HG13 VAL 71 HG13 VAL 71 2.295 -6.874 -12.771 7 HG21 VAL 71 HG21 VAL 71 1.835 -3.289 -13.665 8 HG22 VAL 71 HG22 VAL 71 0.409 -3.139 -12.639 9 HG23 VAL 71 HG23 VAL 71 1.994 -3.431 -11.911 No H/Q in entry = 9 In of MODEL 2 1 H VAL 72 H VAL 72 -0.617 -7.506 -13.102 2 HA VAL 72 HA VAL 72 0.681 -9.210 -15.054 3 HB VAL 72 HB VAL 72 0.399 -9.634 -12.435 4 HG11 VAL 72 HG11 VAL 72 -1.984 -11.009 -13.631 5 HG12 VAL 72 HG12 VAL 72 -1.310 -11.366 -12.039 6 HG13 VAL 72 HG13 VAL 72 -1.986 -9.771 -12.377 7 HG21 VAL 72 HG21 VAL 72 0.433 -11.723 -14.582 8 HG22 VAL 72 HG22 VAL 72 1.819 -10.910 -13.857 9 HG23 VAL 72 HG23 VAL 72 0.841 -12.012 -12.890 No H/Q in entry = 9 In of MODEL 2 1 H GLY 73 H GLY 73 -2.352 -7.837 -14.321 2 HA2 GLY 73 HA2 GLY 73 -3.483 -8.968 -16.750 3 HA3 GLY 73 HA3 GLY 73 -4.104 -7.597 -15.839 No H/Q in entry = 3 In of MODEL 2 1 H GLU 74 H GLU 74 -6.153 -8.837 -16.295 2 HA GLU 74 HA GLU 74 -7.097 -10.139 -14.004 3 HB2 GLU 74 HB2 GLU 74 -8.154 -10.036 -16.822 4 HB3 GLU 74 HB3 GLU 74 -8.989 -10.913 -15.551 5 HG2 GLU 74 HG2 GLU 74 -10.027 -8.803 -15.749 6 HG3 GLU 74 HG3 GLU 74 -9.088 -8.776 -14.260 No H/Q in entry = 6 In of MODEL 2 1 H GLU 75 H GLU 75 -5.396 -11.331 -16.739 2 HA GLU 75 HA GLU 75 -6.136 -14.015 -16.791 3 HB2 GLU 75 HB2 GLU 75 -4.778 -13.113 -18.544 4 HB3 GLU 75 HB3 GLU 75 -3.516 -12.648 -17.413 5 HG2 GLU 75 HG2 GLU 75 -3.042 -15.000 -16.969 6 HG3 GLU 75 HG3 GLU 75 -4.304 -15.467 -18.110 No H/Q in entry = 6 In of MODEL 2 1 H LYS 76 H LYS 76 -3.161 -12.782 -15.236 2 HA LYS 76 HA LYS 76 -2.797 -15.338 -14.030 3 HB2 LYS 76 HB2 LYS 76 -1.229 -12.779 -13.689 4 HB3 LYS 76 HB3 LYS 76 -0.746 -14.362 -13.123 5 HG2 LYS 76 HG2 LYS 76 -1.113 -13.531 -15.986 6 HG3 LYS 76 HG3 LYS 76 0.418 -13.841 -15.164 7 HD2 LYS 76 HD2 LYS 76 -1.758 -15.877 -15.653 8 HD3 LYS 76 HD3 LYS 76 -0.271 -15.728 -16.583 9 HE2 LYS 76 HE2 LYS 76 1.040 -16.246 -14.606 10 HE3 LYS 76 HE3 LYS 76 -0.428 -16.321 -13.632 11 HZ1 LYS 76 HZ1 LYS 76 -1.181 -18.168 -15.049 12 HZ2 LYS 76 HZ2 LYS 76 0.308 -18.139 -15.859 13 HZ3 LYS 76 HZ3 LYS 76 0.252 -18.526 -14.214 No H/Q in entry = 13 In of MODEL 2 1 H ALA 77 H ALA 77 -3.888 -12.179 -12.934 2 HA ALA 77 HA ALA 77 -3.800 -12.694 -10.168 3 HB1 ALA 77 HB1 ALA 77 -5.403 -10.869 -9.948 4 HB2 ALA 77 HB2 ALA 77 -5.758 -10.944 -11.676 5 HB3 ALA 77 HB3 ALA 77 -4.157 -10.448 -11.124 No H/Q in entry = 5 In of MODEL 2 1 H ALA 78 H ALA 78 -6.031 -13.619 -12.684 2 HA ALA 78 HA ALA 78 -8.151 -14.536 -11.058 3 HB1 ALA 78 HB1 ALA 78 -7.252 -15.184 -13.860 4 HB2 ALA 78 HB2 ALA 78 -8.659 -15.962 -13.114 5 HB3 ALA 78 HB3 ALA 78 -8.630 -14.213 -13.338 No H/Q in entry = 5 In of MODEL 2 1 H GLU 79 H GLU 79 -5.214 -16.017 -12.294 2 HA GLU 79 HA GLU 79 -5.853 -18.638 -11.327 3 HB2 GLU 79 HB2 GLU 79 -3.163 -17.569 -12.180 4 HB3 GLU 79 HB3 GLU 79 -3.646 -19.256 -12.075 5 HG2 GLU 79 HG2 GLU 79 -5.424 -18.657 -13.805 6 HG3 GLU 79 HG3 GLU 79 -4.487 -17.187 -14.057 No H/Q in entry = 6 In of MODEL 2 1 H LEU 80 H LEU 80 -4.083 -15.870 -10.152 2 HA LEU 80 HA LEU 80 -2.916 -17.242 -7.933 3 HB2 LEU 80 HB2 LEU 80 -3.291 -14.301 -8.486 4 HB3 LEU 80 HB3 LEU 80 -2.294 -14.969 -7.203 5 HG LEU 80 HG LEU 80 -1.839 -15.567 -10.121 6 HD11 LEU 80 HD11 LEU 80 -0.573 -13.460 -8.392 7 HD12 LEU 80 HD12 LEU 80 0.034 -13.969 -9.971 8 HD13 LEU 80 HD13 LEU 80 -1.560 -13.213 -9.835 9 HD21 LEU 80 HD21 LEU 80 -0.949 -17.195 -8.544 10 HD22 LEU 80 HD22 LEU 80 0.345 -16.308 -9.346 11 HD23 LEU 80 HD23 LEU 80 -0.102 -15.911 -7.688 No H/Q in entry = 11 In of MODEL 2 1 H LYS 81 H LYS 81 -5.829 -15.355 -8.491 2 HA LYS 81 HA LYS 81 -6.730 -15.214 -5.837 3 HB2 LYS 81 HB2 LYS 81 -7.747 -14.034 -7.832 4 HB3 LYS 81 HB3 LYS 81 -8.452 -15.568 -8.308 5 HG2 LYS 81 HG2 LYS 81 -9.020 -14.210 -5.678 6 HG3 LYS 81 HG3 LYS 81 -10.000 -14.003 -7.126 7 HD2 LYS 81 HD2 LYS 81 -10.468 -16.410 -7.148 8 HD3 LYS 81 HD3 LYS 81 -9.483 -16.616 -5.702 9 HE2 LYS 81 HE2 LYS 81 -11.828 -16.565 -5.110 10 HE3 LYS 81 HE3 LYS 81 -11.016 -15.138 -4.472 11 HZ1 LYS 81 HZ1 LYS 81 -12.595 -15.189 -6.981 12 HZ2 LYS 81 HZ2 LYS 81 -13.184 -14.657 -5.491 13 HZ3 LYS 81 HZ3 LYS 81 -11.919 -13.828 -6.244 No H/Q in entry = 13 In of MODEL 2 1 H ASN 82 H ASN 82 -7.367 -17.604 -8.383 2 HA ASN 82 HA ASN 82 -8.861 -19.318 -6.723 3 HB2 ASN 82 HB2 ASN 82 -8.933 -19.372 -9.221 4 HB3 ASN 82 HB3 ASN 82 -7.310 -20.035 -9.224 5 HD21 ASN 82 HD21 ASN 82 -9.938 -20.873 -7.006 6 HD22 ASN 82 HD22 ASN 82 -10.062 -22.521 -7.511 No H/Q in entry = 6 In of MODEL 2 1 H LEU 83 H LEU 83 -5.409 -19.065 -7.394 2 HA LEU 83 HA LEU 83 -4.618 -21.493 -6.262 3 HB2 LEU 83 HB2 LEU 83 -3.402 -18.935 -7.009 4 HB3 LEU 83 HB3 LEU 83 -2.599 -19.739 -5.692 5 HG LEU 83 HG LEU 83 -3.156 -21.062 -8.337 6 HD11 LEU 83 HD11 LEU 83 -0.651 -19.681 -7.388 7 HD12 LEU 83 HD12 LEU 83 -0.784 -20.671 -8.841 8 HD13 LEU 83 HD13 LEU 83 -1.697 -19.169 -8.714 9 HD21 LEU 83 HD21 LEU 83 -2.809 -22.574 -6.429 10 HD22 LEU 83 HD22 LEU 83 -1.499 -22.679 -7.604 11 HD23 LEU 83 HD23 LEU 83 -1.265 -21.788 -6.102 No H/Q in entry = 11 In of MODEL 2 1 H LYS 84 H LYS 84 -5.125 -18.279 -4.881 2 HA LYS 84 HA LYS 84 -4.328 -18.751 -2.248 3 HB2 LYS 84 HB2 LYS 84 -4.770 -16.531 -3.100 4 HB3 LYS 84 HB3 LYS 84 -6.464 -16.931 -3.344 5 HG2 LYS 84 HG2 LYS 84 -6.244 -15.604 -1.385 6 HG3 LYS 84 HG3 LYS 84 -6.711 -17.228 -0.910 7 HD2 LYS 84 HD2 LYS 84 -4.418 -17.714 -0.270 8 HD3 LYS 84 HD3 LYS 84 -3.904 -16.119 -0.825 9 HE2 LYS 84 HE2 LYS 84 -5.398 -15.088 0.842 10 HE3 LYS 84 HE3 LYS 84 -5.838 -16.692 1.418 11 HZ1 LYS 84 HZ1 LYS 84 -3.523 -17.058 2.026 12 HZ2 LYS 84 HZ2 LYS 84 -3.119 -15.509 1.491 13 HZ3 LYS 84 HZ3 LYS 84 -4.151 -15.700 2.816 No H/Q in entry = 13 In of MODEL 2 1 H ASP 85 H ASP 85 -7.621 -18.851 -3.610 2 HA ASP 85 HA ASP 85 -8.781 -19.857 -1.228 3 HB2 ASP 85 HB2 ASP 85 -9.782 -19.534 -4.044 4 HB3 ASP 85 HB3 ASP 85 -10.775 -20.275 -2.793 No H/Q in entry = 4 In of MODEL 2 1 H SER 86 H SER 86 -7.258 -21.481 -3.904 2 HA SER 86 HA SER 86 -8.484 -24.024 -3.294 3 HB2 SER 86 HB2 SER 86 -6.068 -23.388 -5.003 4 HB3 SER 86 HB3 SER 86 -6.853 -24.961 -4.899 5 HG SER 86 HG SER 86 -7.984 -22.538 -5.858 No H/Q in entry = 5 In of MODEL 2 1 H GLY 87 H GLY 87 -6.024 -22.170 -1.929 2 HA2 GLY 87 HA2 GLY 87 -5.256 -24.518 -0.319 3 HA3 GLY 87 HA3 GLY 87 -5.357 -22.877 0.294 No H/Q in entry = 3 In of MODEL 2 1 H ALA 88 H ALA 88 -3.956 -22.157 -2.460 2 HA ALA 88 HA ALA 88 -1.328 -23.051 -2.200 3 HB1 ALA 88 HB1 ALA 88 -2.298 -20.375 -3.198 4 HB2 ALA 88 HB2 ALA 88 -2.080 -21.836 -4.162 5 HB3 ALA 88 HB3 ALA 88 -0.683 -21.035 -3.447 No H/Q in entry = 5 In of MODEL 2 1 H SER 89 H SER 89 0.097 -22.629 -0.692 2 HA SER 89 HA SER 89 -0.411 -21.006 1.568 3 HB2 SER 89 HB2 SER 89 2.134 -22.381 0.682 4 HB3 SER 89 HB3 SER 89 1.793 -21.762 2.286 5 HG SER 89 HG SER 89 1.335 -24.145 1.547 No H/Q in entry = 5 In of MODEL 2 1 H LYS 90 H LYS 90 1.511 -19.466 2.301 2 HA LYS 90 HA LYS 90 1.303 -17.275 0.570 3 HB2 LYS 90 HB2 LYS 90 2.852 -16.115 2.058 4 HB3 LYS 90 HB3 LYS 90 1.622 -16.980 2.962 5 HG2 LYS 90 HG2 LYS 90 3.206 -18.724 3.515 6 HG3 LYS 90 HG3 LYS 90 4.444 -17.939 2.529 7 HD2 LYS 90 HD2 LYS 90 4.358 -15.978 3.979 8 HD3 LYS 90 HD3 LYS 90 3.108 -16.744 4.955 9 HE2 LYS 90 HE2 LYS 90 5.897 -17.815 4.564 10 HE3 LYS 90 HE3 LYS 90 5.365 -16.882 5.959 11 HZ1 LYS 90 HZ1 LYS 90 3.747 -18.620 6.445 12 HZ2 LYS 90 HZ2 LYS 90 4.296 -19.524 5.126 13 HZ3 LYS 90 HZ3 LYS 90 5.323 -19.231 6.436 No H/Q in entry = 13 In of MODEL 2 1 H GLU 91 H GLU 91 3.634 -19.838 0.665 2 HA GLU 91 HA GLU 91 5.657 -18.405 -0.771 3 HB2 GLU 91 HB2 GLU 91 6.248 -20.183 0.780 4 HB3 GLU 91 HB3 GLU 91 5.375 -21.348 -0.205 5 HG2 GLU 91 HG2 GLU 91 6.908 -21.004 -2.028 6 HG3 GLU 91 HG3 GLU 91 7.758 -19.758 -1.118 No H/Q in entry = 6 In of MODEL 2 1 H GLU 92 H GLU 92 3.195 -20.798 -1.671 2 HA GLU 92 HA GLU 92 3.916 -21.175 -4.332 3 HB2 GLU 92 HB2 GLU 92 1.170 -21.206 -3.081 4 HB3 GLU 92 HB3 GLU 92 1.636 -21.975 -4.583 5 HG2 GLU 92 HG2 GLU 92 2.852 -22.666 -1.947 6 HG3 GLU 92 HG3 GLU 92 1.431 -23.464 -2.598 No H/Q in entry = 6 In of MODEL 2 1 H LEU 93 H LEU 93 1.808 -18.850 -2.725 2 HA LEU 93 HA LEU 93 1.365 -17.351 -5.115 3 HB2 LEU 93 HB2 LEU 93 1.180 -16.492 -2.222 4 HB3 LEU 93 HB3 LEU 93 0.614 -15.544 -3.593 5 HG LEU 93 HG LEU 93 -0.446 -18.216 -2.671 6 HD11 LEU 93 HD11 LEU 93 -1.699 -15.494 -2.846 7 HD12 LEU 93 HD12 LEU 93 -2.562 -16.991 -2.472 8 HD13 LEU 93 HD13 LEU 93 -1.307 -16.400 -1.380 9 HD21 LEU 93 HD21 LEU 93 -1.088 -16.651 -5.162 10 HD22 LEU 93 HD22 LEU 93 -0.420 -18.282 -5.059 11 HD23 LEU 93 HD23 LEU 93 -2.075 -17.972 -4.535 No H/Q in entry = 11 In of MODEL 2 1 H LYS 94 H LYS 94 3.860 -17.249 -2.563 2 HA LYS 94 HA LYS 94 4.899 -14.761 -3.332 3 HB2 LYS 94 HB2 LYS 94 5.416 -15.860 -1.196 4 HB3 LYS 94 HB3 LYS 94 6.256 -17.141 -2.042 5 HG2 LYS 94 HG2 LYS 94 7.899 -15.450 -2.840 6 HG3 LYS 94 HG3 LYS 94 7.110 -14.273 -1.783 7 HD2 LYS 94 HD2 LYS 94 7.577 -15.661 0.153 8 HD3 LYS 94 HD3 LYS 94 8.289 -16.900 -0.878 9 HE2 LYS 94 HE2 LYS 94 10.021 -15.284 -1.566 10 HE3 LYS 94 HE3 LYS 94 9.328 -14.102 -0.457 11 HZ1 LYS 94 HZ1 LYS 94 10.410 -16.747 0.344 12 HZ2 LYS 94 HZ2 LYS 94 11.234 -15.279 0.495 13 HZ3 LYS 94 HZ3 LYS 94 9.821 -15.552 1.384 No H/Q in entry = 13 In of MODEL 2 1 H ALA 95 H ALA 95 5.654 -18.019 -4.315 2 HA ALA 95 HA ALA 95 7.879 -17.134 -5.901 3 HB1 ALA 95 HB1 ALA 95 8.106 -19.184 -4.640 4 HB2 ALA 95 HB2 ALA 95 8.186 -19.543 -6.366 5 HB3 ALA 95 HB3 ALA 95 6.706 -19.879 -5.459 No H/Q in entry = 5 In of MODEL 2 1 H LYS 96 H LYS 96 4.747 -18.770 -6.498 2 HA LYS 96 HA LYS 96 5.100 -18.958 -9.291 3 HB2 LYS 96 HB2 LYS 96 2.744 -19.076 -7.478 4 HB3 LYS 96 HB3 LYS 96 2.480 -18.934 -9.201 5 HG2 LYS 96 HG2 LYS 96 2.403 -21.259 -8.410 6 HG3 LYS 96 HG3 LYS 96 3.665 -20.991 -9.611 7 HD2 LYS 96 HD2 LYS 96 5.369 -21.090 -8.000 8 HD3 LYS 96 HD3 LYS 96 4.237 -20.881 -6.668 9 HE2 LYS 96 HE2 LYS 96 3.262 -23.089 -7.189 10 HE3 LYS 96 HE3 LYS 96 4.446 -23.287 -8.478 11 HZ1 LYS 96 HZ1 LYS 96 6.198 -23.115 -6.764 12 HZ2 LYS 96 HZ2 LYS 96 5.004 -23.089 -5.565 13 HZ3 LYS 96 HZ3 LYS 96 5.187 -24.453 -6.546 No H/Q in entry = 13 In of MODEL 2 1 H VAL 97 H VAL 97 4.175 -16.329 -7.271 2 HA VAL 97 HA VAL 97 2.981 -14.636 -9.231 3 HB VAL 97 HB VAL 97 4.214 -14.123 -6.531 4 HG11 VAL 97 HG11 VAL 97 4.745 -12.190 -7.916 5 HG12 VAL 97 HG12 VAL 97 3.052 -12.049 -8.381 6 HG13 VAL 97 HG13 VAL 97 3.530 -11.790 -6.704 7 HG21 VAL 97 HG21 VAL 97 1.950 -15.150 -6.796 8 HG22 VAL 97 HG22 VAL 97 2.015 -13.671 -5.835 9 HG23 VAL 97 HG23 VAL 97 1.417 -13.623 -7.505 No H/Q in entry = 9 In of MODEL 2 1 H GLU 98 H GLU 98 6.264 -15.035 -7.941 2 HA GLU 98 HA GLU 98 7.443 -12.886 -9.287 3 HB2 GLU 98 HB2 GLU 98 8.646 -15.489 -8.349 4 HB3 GLU 98 HB3 GLU 98 9.594 -14.158 -8.996 5 HG2 GLU 98 HG2 GLU 98 8.606 -12.721 -7.182 6 HG3 GLU 98 HG3 GLU 98 7.952 -14.201 -6.480 No H/Q in entry = 6 In of MODEL 2 1 H GLU 99 H GLU 99 6.500 -16.027 -10.423 2 HA GLU 99 HA GLU 99 8.049 -15.913 -12.848 3 HB2 GLU 99 HB2 GLU 99 5.651 -17.589 -12.086 4 HB3 GLU 99 HB3 GLU 99 6.564 -17.780 -13.576 5 HG2 GLU 99 HG2 GLU 99 8.547 -18.367 -12.314 6 HG3 GLU 99 HG3 GLU 99 7.680 -18.105 -10.800 No H/Q in entry = 6 In of MODEL 2 1 H ALA 100 H ALA 100 4.659 -15.257 -11.970 2 HA ALA 100 HA ALA 100 3.865 -14.524 -14.596 3 HB1 ALA 100 HB1 ALA 100 2.654 -13.699 -11.957 4 HB2 ALA 100 HB2 ALA 100 2.290 -15.193 -12.823 5 HB3 ALA 100 HB3 ALA 100 1.873 -13.636 -13.538 No H/Q in entry = 5 In of MODEL 2 1 H LEU 101 H LEU 101 4.971 -12.700 -11.788 2 HA LEU 101 HA LEU 101 4.856 -10.152 -13.048 3 HB2 LEU 101 HB2 LEU 101 6.070 -11.219 -10.522 4 HB3 LEU 101 HB3 LEU 101 6.415 -9.584 -11.044 5 HG LEU 101 HG LEU 101 4.538 -9.983 -9.318 6 HD11 LEU 101 HD11 LEU 101 4.101 -8.292 -11.769 7 HD12 LEU 101 HD12 LEU 101 3.219 -8.117 -10.252 8 HD13 LEU 101 HD13 LEU 101 4.957 -7.829 -10.298 9 HD21 LEU 101 HD21 LEU 101 3.369 -11.753 -10.545 10 HD22 LEU 101 HD22 LEU 101 2.328 -10.368 -10.221 11 HD23 LEU 101 HD23 LEU 101 3.003 -10.602 -11.833 No H/Q in entry = 11 In of MODEL 2 1 H HIS 102 H HIS 102 7.031 -12.743 -13.309 2 HA HIS 102 HA HIS 102 9.242 -11.093 -14.176 3 HB2 HIS 102 HB2 HIS 102 9.471 -13.440 -13.194 4 HB3 HIS 102 HB3 HIS 102 8.857 -14.040 -14.728 5 HD1 HIS 102 HD1 HIS 102 10.413 -13.481 -16.871 6 HD2 HIS 102 HD2 HIS 102 12.128 -12.960 -13.125 7 HE1 HIS 102 HE1 HIS 102 12.892 -13.364 -17.275 8 HE2 HIS 102 HE2 HIS 102 13.892 -12.880 -15.013 No H/Q in entry = 8 In of MODEL 2 1 H ALA 103 H ALA 103 6.733 -13.114 -15.538 2 HA ALA 103 HA ALA 103 7.592 -13.040 -18.208 3 HB1 ALA 103 HB1 ALA 103 4.813 -13.595 -17.202 4 HB2 ALA 103 HB2 ALA 103 6.142 -14.756 -17.124 5 HB3 ALA 103 HB3 ALA 103 5.555 -14.184 -18.691 No H/Q in entry = 5 In of MODEL 2 1 H VAL 104 H VAL 104 5.970 -10.606 -16.435 2 HA VAL 104 HA VAL 104 4.273 -9.659 -18.455 3 HB VAL 104 HB VAL 104 3.595 -9.002 -16.378 4 HG11 VAL 104 HG11 VAL 104 5.643 -9.579 -15.217 5 HG12 VAL 104 HG12 VAL 104 6.352 -8.049 -15.721 6 HG13 VAL 104 HG13 VAL 104 4.958 -8.060 -14.647 7 HG21 VAL 104 HG21 VAL 104 3.594 -7.072 -17.934 8 HG22 VAL 104 HG22 VAL 104 3.697 -6.599 -16.236 9 HG23 VAL 104 HG23 VAL 104 5.138 -6.574 -17.244 No H/Q in entry = 9 In of MODEL 2 1 H THR 105 H THR 105 7.117 -7.944 -17.173 2 HA THR 105 HA THR 105 8.914 -6.998 -18.157 3 HB THR 105 HB THR 105 9.759 -7.745 -20.277 4 HG1 THR 105 HG1 THR 105 7.092 -8.506 -20.714 5 HG21 THR 105 HG21 THR 105 8.412 -10.016 -18.822 6 HG22 THR 105 HG22 THR 105 9.765 -10.174 -19.946 7 HG23 THR 105 HG23 THR 105 9.977 -9.306 -18.424 No H/Q in entry = 7 In of MODEL 2 1 H ASP 106 H ASP 106 5.918 -6.095 -18.824 2 HA ASP 106 HA ASP 106 6.548 -4.071 -20.774 3 HB2 ASP 106 HB2 ASP 106 4.262 -4.906 -20.650 4 HB3 ASP 106 HB3 ASP 106 4.158 -4.446 -18.955 No H/Q in entry = 4 In of MODEL 2 1 H GLU 107 H GLU 107 7.278 -2.078 -20.365 2 HA GLU 107 HA GLU 107 8.933 -1.856 -18.173 3 HB2 GLU 107 HB2 GLU 107 8.010 0.127 -20.213 4 HB3 GLU 107 HB3 GLU 107 9.096 0.606 -18.916 5 HG2 GLU 107 HG2 GLU 107 9.636 -1.625 -20.856 6 HG3 GLU 107 HG3 GLU 107 10.252 0.020 -21.019 No H/Q in entry = 6 In of MODEL 2 1 H GLU 108 H GLU 108 5.904 -0.080 -18.707 2 HA GLU 108 HA GLU 108 6.173 1.355 -16.262 3 HB2 GLU 108 HB2 GLU 108 3.855 2.103 -16.660 4 HB3 GLU 108 HB3 GLU 108 4.904 2.344 -18.049 5 HG2 GLU 108 HG2 GLU 108 3.979 0.249 -19.019 6 HG3 GLU 108 HG3 GLU 108 2.832 0.204 -17.679 No H/Q in entry = 6 In of MODEL 2 1 H LYS 109 H LYS 109 4.614 -1.669 -17.151 2 HA LYS 109 HA LYS 109 3.322 -2.072 -14.656 3 HB2 LYS 109 HB2 LYS 109 4.245 -4.062 -16.726 4 HB3 LYS 109 HB3 LYS 109 3.238 -4.459 -15.340 5 HG2 LYS 109 HG2 LYS 109 1.559 -2.835 -16.159 6 HG3 LYS 109 HG3 LYS 109 2.546 -2.607 -17.600 7 HD2 LYS 109 HD2 LYS 109 2.293 -4.966 -18.159 8 HD3 LYS 109 HD3 LYS 109 1.340 -5.216 -16.694 9 HE2 LYS 109 HE2 LYS 109 -0.307 -3.570 -17.544 10 HE3 LYS 109 HE3 LYS 109 0.623 -3.454 -19.036 11 HZ1 LYS 109 HZ1 LYS 109 -0.630 -5.935 -17.999 12 HZ2 LYS 109 HZ2 LYS 109 -1.265 -4.963 -19.225 13 HZ3 LYS 109 HZ3 LYS 109 0.198 -5.772 -19.463 No H/Q in entry = 13 In of MODEL 2 1 H LYS 110 H LYS 110 6.520 -2.949 -15.903 2 HA LYS 110 HA LYS 110 7.399 -4.241 -13.518 3 HB2 LYS 110 HB2 LYS 110 8.924 -2.954 -15.776 4 HB3 LYS 110 HB3 LYS 110 9.708 -3.766 -14.437 5 HG2 LYS 110 HG2 LYS 110 8.460 -5.840 -15.101 6 HG3 LYS 110 HG3 LYS 110 7.958 -4.972 -16.556 7 HD2 LYS 110 HD2 LYS 110 10.827 -5.343 -15.704 8 HD3 LYS 110 HD3 LYS 110 10.006 -6.373 -16.870 9 HE2 LYS 110 HE2 LYS 110 9.671 -4.508 -18.354 10 HE3 LYS 110 HE3 LYS 110 10.310 -3.390 -17.155 11 HZ1 LYS 110 HZ1 LYS 110 12.456 -4.511 -17.333 12 HZ2 LYS 110 HZ2 LYS 110 11.834 -5.528 -18.535 13 HZ3 LYS 110 HZ3 LYS 110 11.957 -3.860 -18.817 No H/Q in entry = 13 In of MODEL 2 1 H GLN 111 H GLN 111 7.033 -0.989 -14.437 2 HA GLN 111 HA GLN 111 8.696 0.237 -12.519 3 HB2 GLN 111 HB2 GLN 111 7.502 1.418 -14.380 4 HB3 GLN 111 HB3 GLN 111 6.002 1.213 -13.494 5 HG2 GLN 111 HG2 GLN 111 6.923 3.455 -13.236 6 HG3 GLN 111 HG3 GLN 111 6.837 2.600 -11.696 7 HE21 GLN 111 HE21 GLN 111 8.682 2.124 -10.604 8 HE22 GLN 111 HE22 GLN 111 10.248 2.686 -11.087 No H/Q in entry = 8 In of MODEL 2 1 H TYR 112 H TYR 112 5.445 -1.065 -12.375 2 HA TYR 112 HA TYR 112 4.914 -0.329 -9.649 3 HB2 TYR 112 HB2 TYR 112 3.669 -2.335 -11.530 4 HB3 TYR 112 HB3 TYR 112 3.098 -2.098 -9.887 5 HD1 TYR 112 HD1 TYR 112 2.775 0.599 -9.376 6 HD2 TYR 112 HD2 TYR 112 2.420 -1.344 -13.141 7 HE1 TYR 112 HE1 TYR 112 1.316 2.414 -10.166 8 HE2 TYR 112 HE2 TYR 112 0.963 0.471 -13.947 9 HH TYR 112 HH TYR 112 0.621 3.410 -12.331 No H/Q in entry = 9 In of MODEL 2 1 H ILE 113 H ILE 113 6.253 -3.105 -11.321 2 HA ILE 113 HA ILE 113 6.292 -4.923 -9.208 3 HB ILE 113 HB ILE 113 8.236 -4.661 -11.498 4 HG12 ILE 113 HG12 ILE 113 5.707 -6.269 -11.124 5 HG13 ILE 113 HG13 ILE 113 5.935 -4.924 -12.234 6 HG21 ILE 113 HG21 ILE 113 7.713 -6.989 -9.649 7 HG22 ILE 113 HG22 ILE 113 8.740 -7.028 -11.081 8 HG23 ILE 113 HG23 ILE 113 9.181 -6.014 -9.706 9 HD11 ILE 113 HD11 ILE 113 7.623 -6.266 -13.425 10 HD12 ILE 113 HD12 ILE 113 7.252 -7.617 -12.357 11 HD13 ILE 113 HD13 ILE 113 6.015 -6.984 -13.440 No H/Q in entry = 11 In of MODEL 2 1 H ALA 114 H ALA 114 8.649 -2.487 -10.220 2 HA ALA 114 HA ALA 114 10.556 -3.005 -8.138 3 HB1 ALA 114 HB1 ALA 114 11.262 -2.007 -10.227 4 HB2 ALA 114 HB2 ALA 114 11.567 -0.882 -8.903 5 HB3 ALA 114 HB3 ALA 114 10.183 -0.634 -9.970 No H/Q in entry = 5 In of MODEL 2 1 H ASP 115 H ASP 115 7.939 -0.705 -8.624 2 HA ASP 115 HA ASP 115 8.595 0.828 -6.304 3 HB2 ASP 115 HB2 ASP 115 6.136 0.820 -8.049 4 HB3 ASP 115 HB3 ASP 115 6.352 1.915 -6.687 No H/Q in entry = 4 In of MODEL 2 1 H PHE 116 H PHE 116 5.925 -1.428 -6.987 2 HA PHE 116 HA PHE 116 5.190 -1.176 -4.167 3 HB2 PHE 116 HB2 PHE 116 3.620 -1.201 -6.532 4 HB3 PHE 116 HB3 PHE 116 3.235 -2.665 -5.633 5 HD1 PHE 116 HD1 PHE 116 2.415 -2.496 -3.306 6 HD2 PHE 116 HD2 PHE 116 2.907 0.912 -5.807 7 HE1 PHE 116 HE1 PHE 116 0.955 -1.203 -1.809 8 HE2 PHE 116 HE2 PHE 116 1.442 2.221 -4.307 9 HZ PHE 116 HZ PHE 116 0.466 1.155 -2.307 No H/Q in entry = 9 In of MODEL 2 1 H GLY 117 H GLY 117 6.479 -3.400 -6.438 2 HA2 GLY 117 HA2 GLY 117 7.218 -5.574 -6.161 3 HA3 GLY 117 HA3 GLY 117 5.564 -5.863 -5.665 No H/Q in entry = 3 In of MODEL 2 1 HA PRO 118 HA PRO 118 8.852 -6.722 -2.269 2 HB2 PRO 118 HB2 PRO 118 10.106 -4.090 -1.765 3 HB3 PRO 118 HB3 PRO 118 10.857 -5.677 -1.956 4 HG2 PRO 118 HG2 PRO 118 11.041 -3.816 -3.870 5 HG3 PRO 118 HG3 PRO 118 10.883 -5.536 -4.265 6 HD2 PRO 118 HD2 PRO 118 8.813 -3.377 -4.342 7 HD3 PRO 118 HD3 PRO 118 9.083 -4.720 -5.468 No H/Q in entry = 7 In of MODEL 2 1 H ALA 119 H ALA 119 7.316 -3.565 -2.208 2 HA ALA 119 HA ALA 119 6.928 -3.513 0.640 3 HB1 ALA 119 HB1 ALA 119 5.411 -1.626 0.130 4 HB2 ALA 119 HB2 ALA 119 5.651 -1.936 -1.588 5 HB3 ALA 119 HB3 ALA 119 7.013 -1.441 -0.584 No H/Q in entry = 5 In of MODEL 2 1 H CYS 120 H CYS 120 5.057 -4.493 -2.150 2 HA CYS 120 HA CYS 120 2.657 -5.138 -0.819 3 HB2 CYS 120 HB2 CYS 120 2.958 -5.008 -3.308 4 HB3 CYS 120 HB3 CYS 120 3.815 -6.542 -3.235 No H/Q in entry = 4 In of MODEL 2 1 H LYS 121 H LYS 121 5.743 -6.725 -1.035 2 HA LYS 121 HA LYS 121 5.066 -9.312 -0.220 3 HB2 LYS 121 HB2 LYS 121 7.553 -7.722 0.409 4 HB3 LYS 121 HB3 LYS 121 7.387 -9.456 0.647 5 HG2 LYS 121 HG2 LYS 121 7.199 -8.019 -1.993 6 HG3 LYS 121 HG3 LYS 121 8.595 -8.926 -1.406 7 HD2 LYS 121 HD2 LYS 121 7.175 -10.950 -1.304 8 HD3 LYS 121 HD3 LYS 121 5.852 -10.019 -2.001 9 HE2 LYS 121 HE2 LYS 121 7.020 -11.337 -3.701 10 HE3 LYS 121 HE3 LYS 121 7.164 -9.608 -4.002 11 HZ1 LYS 121 HZ1 LYS 121 9.238 -11.306 -2.721 12 HZ2 LYS 121 HZ2 LYS 121 9.266 -10.774 -4.325 13 HZ3 LYS 121 HZ3 LYS 121 9.382 -9.655 -3.066 No H/Q in entry = 13 In of MODEL 2 1 H LYS 122 H LYS 122 6.090 -6.584 1.912 2 HA LYS 122 HA LYS 122 5.414 -7.995 4.287 3 HB2 LYS 122 HB2 LYS 122 5.528 -5.783 5.422 4 HB3 LYS 122 HB3 LYS 122 6.956 -6.177 4.481 5 HG2 LYS 122 HG2 LYS 122 6.211 -4.694 2.702 6 HG3 LYS 122 HG3 LYS 122 4.752 -4.318 3.620 7 HD2 LYS 122 HD2 LYS 122 6.424 -2.560 3.890 8 HD3 LYS 122 HD3 LYS 122 6.121 -3.381 5.420 9 HE2 LYS 122 HE2 LYS 122 8.144 -4.749 5.047 10 HE3 LYS 122 HE3 LYS 122 8.456 -3.847 3.567 11 HZ1 LYS 122 HZ1 LYS 122 8.357 -2.696 6.301 12 HZ2 LYS 122 HZ2 LYS 122 9.761 -3.009 5.419 13 HZ3 LYS 122 HZ3 LYS 122 8.670 -1.832 4.883 No H/Q in entry = 13 In of MODEL 2 1 H ILE 123 H ILE 123 3.594 -6.032 2.052 2 HA ILE 123 HA ILE 123 1.361 -5.549 3.666 3 HB ILE 123 HB ILE 123 1.632 -5.718 0.692 4 HG12 ILE 123 HG12 ILE 123 1.195 -3.430 2.620 5 HG13 ILE 123 HG13 ILE 123 2.747 -3.880 1.922 6 HG21 ILE 123 HG21 ILE 123 -0.802 -4.943 2.297 7 HG22 ILE 123 HG22 ILE 123 -0.611 -4.709 0.560 8 HG23 ILE 123 HG23 ILE 123 -0.653 -6.339 1.230 9 HD11 ILE 123 HD11 ILE 123 0.380 -3.084 0.283 10 HD12 ILE 123 HD12 ILE 123 1.592 -1.943 0.863 11 HD13 ILE 123 HD13 ILE 123 2.054 -3.247 -0.235 No H/Q in entry = 11 In of MODEL 2 1 H TYR 124 H TYR 124 1.937 -8.042 1.309 2 HA TYR 124 HA TYR 124 -0.221 -9.756 2.125 3 HB2 TYR 124 HB2 TYR 124 1.929 -9.856 0.064 4 HB3 TYR 124 HB3 TYR 124 1.212 -11.377 0.587 5 HD1 TYR 124 HD1 TYR 124 0.240 -7.990 -0.641 6 HD2 TYR 124 HD2 TYR 124 -0.731 -12.125 -0.429 7 HE1 TYR 124 HE1 TYR 124 -1.661 -7.618 -2.155 8 HE2 TYR 124 HE2 TYR 124 -2.634 -11.765 -1.942 9 HH TYR 124 HH TYR 124 -3.059 -8.855 -3.685 No H/Q in entry = 9 In of MODEL 2 1 H GLY 125 H GLY 125 1.454 -9.129 4.255 2 HA2 GLY 125 HA2 GLY 125 2.930 -10.025 5.864 3 HA3 GLY 125 HA3 GLY 125 3.940 -9.395 4.597 No H/Q in entry = 3 In of MODEL 2 1 H VAL 126 H VAL 126 3.291 -11.683 2.823 2 HA VAL 126 HA VAL 126 4.232 -14.116 3.482 3 HB VAL 126 HB VAL 126 5.724 -12.621 1.347 4 HG11 VAL 126 HG11 VAL 126 6.274 -14.968 1.853 5 HG12 VAL 126 HG12 VAL 126 4.633 -15.421 1.394 6 HG13 VAL 126 HG13 VAL 126 5.720 -14.713 0.202 7 HG21 VAL 126 HG21 VAL 126 2.853 -13.508 1.186 8 HG22 VAL 126 HG22 VAL 126 3.508 -11.886 0.931 9 HG23 VAL 126 HG23 VAL 126 3.859 -13.171 -0.226 No H/Q in entry = 9 In of MODEL 2 1 H HIS 127 H HIS 127 6.307 -11.301 2.935 2 HA HIS 127 HA HIS 127 8.614 -12.546 4.116 3 HB2 HIS 127 HB2 HIS 127 8.724 -10.863 2.250 4 HB3 HIS 127 HB3 HIS 127 8.178 -9.639 3.386 5 HD1 HIS 127 HD1 HIS 127 9.983 -8.373 4.509 6 HD2 HIS 127 HD2 HIS 127 11.307 -12.060 3.123 7 HE1 HIS 127 HE1 HIS 127 12.463 -8.387 4.899 8 HE2 HIS 127 HE2 HIS 127 13.219 -10.681 4.195 No H/Q in entry = 8 In of MODEL 2 1 H THR 128 H THR 128 7.692 -13.084 6.151 2 HA THR 128 HA THR 128 6.505 -11.097 7.824 3 HB THR 128 HB THR 128 7.513 -13.793 8.726 4 HG1 THR 128 HG1 THR 128 5.568 -13.177 6.879 5 HG21 THR 128 HG21 THR 128 6.664 -12.245 10.451 6 HG22 THR 128 HG22 THR 128 5.140 -12.123 9.575 7 HG23 THR 128 HG23 THR 128 5.636 -13.663 10.274 No H/Q in entry = 7 In of MODEL 2 1 H SER 129 H SER 129 9.725 -12.275 7.332 2 HA SER 129 HA SER 129 10.627 -10.658 9.618 3 HB2 SER 129 HB2 SER 129 12.621 -12.258 9.664 4 HB3 SER 129 HB3 SER 129 11.081 -12.913 10.218 5 HG SER 129 HG SER 129 11.816 -13.160 7.514 No H/Q in entry = 5 In of MODEL 3 1 HA2 GLY -4 HA2 GLY -4 -17.487 15.516 -18.252 2 HA3 GLY -4 HA3 GLY -4 -17.642 17.266 -18.319 3 H1 GLY -4 H1 GLY -4 -17.049 15.499 -20.622 4 H2 GLY -4 H2 GLY -4 -17.192 17.185 -20.684 No H/Q in entry = 4 In of MODEL 3 1 H SER -3 H SER -3 -15.596 14.862 -17.493 2 HA SER -3 HA SER -3 -13.211 16.462 -18.135 3 HB2 SER -3 HB2 SER -3 -13.684 14.944 -15.558 4 HB3 SER -3 HB3 SER -3 -12.319 15.995 -15.933 5 HG SER -3 HG SER -3 -13.675 17.758 -15.907 No H/Q in entry = 5 In of MODEL 3 1 HA PRO -2 HA PRO -2 -12.068 12.426 -19.775 2 HB2 PRO -2 HB2 PRO -2 -9.990 13.260 -21.248 3 HB3 PRO -2 HB3 PRO -2 -11.661 13.573 -21.743 4 HG2 PRO -2 HG2 PRO -2 -9.718 15.392 -20.374 5 HG3 PRO -2 HG3 PRO -2 -10.815 15.741 -21.722 6 HD2 PRO -2 HD2 PRO -2 -11.355 16.401 -19.127 7 HD3 PRO -2 HD3 PRO -2 -12.612 16.066 -20.334 No H/Q in entry = 7 In of MODEL 3 1 H GLU -1 H GLU -1 -11.413 12.841 -17.148 2 HA GLU -1 HA GLU -1 -8.496 12.678 -16.946 3 HB2 GLU -1 HB2 GLU -1 -10.627 13.207 -14.878 4 HB3 GLU -1 HB3 GLU -1 -8.926 13.001 -14.492 5 HG2 GLU -1 HG2 GLU -1 -8.383 14.940 -15.877 6 HG3 GLU -1 HG3 GLU -1 -10.096 15.151 -16.240 No H/Q in entry = 6 In of MODEL 3 1 H PHE 0 H PHE 0 -8.316 10.489 -17.638 2 HA PHE 0 HA PHE 0 -9.341 8.521 -15.731 3 HB2 PHE 0 HB2 PHE 0 -9.461 8.053 -18.208 4 HB3 PHE 0 HB3 PHE 0 -7.701 8.008 -18.224 5 HD1 PHE 0 HD1 PHE 0 -10.734 6.335 -16.988 6 HD2 PHE 0 HD2 PHE 0 -6.506 6.110 -17.410 7 HE1 PHE 0 HE1 PHE 0 -10.803 3.956 -16.362 8 HE2 PHE 0 HE2 PHE 0 -6.567 3.731 -16.787 9 HZ PHE 0 HZ PHE 0 -8.717 2.651 -16.260 No H/Q in entry = 9 In of MODEL 3 1 H HIS 1 H HIS 1 -8.114 9.079 -13.950 2 HA HIS 1 HA HIS 1 -5.241 9.282 -14.162 3 HB2 HIS 1 HB2 HIS 1 -7.092 9.376 -11.770 4 HB3 HIS 1 HB3 HIS 1 -5.349 9.580 -11.670 5 HD1 HIS 1 HD1 HIS 1 -4.362 11.813 -12.553 6 HD2 HIS 1 HD2 HIS 1 -8.507 11.578 -12.748 7 HE1 HIS 1 HE1 HIS 1 -5.149 14.155 -12.991 8 HE2 HIS 1 HE2 HIS 1 -7.668 14.023 -12.951 No H/Q in entry = 8 In of MODEL 3 1 H HIS 2 H HIS 2 -3.748 7.865 -13.307 2 HA HIS 2 HA HIS 2 -4.634 5.111 -13.105 3 HB2 HIS 2 HB2 HIS 2 -2.216 4.566 -12.996 4 HB3 HIS 2 HB3 HIS 2 -2.628 5.528 -14.407 5 HD1 HIS 2 HD1 HIS 2 -0.791 5.740 -11.128 6 HD2 HIS 2 HD2 HIS 2 -1.382 7.997 -14.567 7 HE1 HIS 2 HE1 HIS 2 0.867 7.620 -10.994 8 HE2 HIS 2 HE2 HIS 2 0.588 8.886 -13.155 No H/Q in entry = 8 In of MODEL 3 1 H PHE 3 H PHE 3 -2.809 4.032 -11.317 2 HA PHE 3 HA PHE 3 -4.073 4.522 -8.834 3 HB2 PHE 3 HB2 PHE 3 -1.530 3.013 -9.465 4 HB3 PHE 3 HB3 PHE 3 -2.349 2.987 -7.907 5 HD1 PHE 3 HD1 PHE 3 -4.781 2.186 -7.885 6 HD2 PHE 3 HD2 PHE 3 -2.092 1.479 -11.106 7 HE1 PHE 3 HE1 PHE 3 -6.189 0.320 -8.645 8 HE2 PHE 3 HE2 PHE 3 -3.495 -0.389 -11.874 9 HZ PHE 3 HZ PHE 3 -5.550 -0.969 -10.640 No H/Q in entry = 9 In of MODEL 3 1 H THR 4 H THR 4 -3.609 6.936 -8.964 2 HA THR 4 HA THR 4 -1.045 7.731 -7.937 3 HB THR 4 HB THR 4 -2.071 9.959 -7.666 4 HG1 THR 4 HG1 THR 4 -4.319 10.073 -8.604 5 HG21 THR 4 HG21 THR 4 -1.165 9.332 -9.854 6 HG22 THR 4 HG22 THR 4 -2.730 8.666 -10.315 7 HG23 THR 4 HG23 THR 4 -2.560 10.397 -10.026 No H/Q in entry = 7 In of MODEL 3 1 H LEU 5 H LEU 5 -0.869 8.887 -5.830 2 HA LEU 5 HA LEU 5 -1.836 7.356 -3.696 3 HB2 LEU 5 HB2 LEU 5 0.224 8.748 -3.690 4 HB3 LEU 5 HB3 LEU 5 -0.771 10.185 -3.651 5 HG LEU 5 HG LEU 5 0.299 9.420 -1.462 6 HD11 LEU 5 HD11 LEU 5 -2.672 9.901 -1.582 7 HD12 LEU 5 HD12 LEU 5 -1.678 10.037 -0.130 8 HD13 LEU 5 HD13 LEU 5 -1.404 11.123 -1.492 9 HD21 LEU 5 HD21 LEU 5 -0.219 7.044 -1.666 10 HD22 LEU 5 HD22 LEU 5 -0.909 7.727 -0.193 11 HD23 LEU 5 HD23 LEU 5 -1.943 7.408 -1.586 No H/Q in entry = 11 In of MODEL 3 1 H GLU 6 H GLU 6 -2.976 10.437 -5.037 2 HA GLU 6 HA GLU 6 -5.202 10.821 -3.378 3 HB2 GLU 6 HB2 GLU 6 -5.004 11.356 -6.351 4 HB3 GLU 6 HB3 GLU 6 -6.120 12.123 -5.228 5 HG2 GLU 6 HG2 GLU 6 -4.393 13.317 -4.168 6 HG3 GLU 6 HG3 GLU 6 -3.144 12.339 -4.933 No H/Q in entry = 6 In of MODEL 3 1 H SER 7 H SER 7 -4.874 8.833 -6.374 2 HA SER 7 HA SER 7 -7.512 8.161 -6.674 3 HB2 SER 7 HB2 SER 7 -5.688 7.671 -8.278 4 HB3 SER 7 HB3 SER 7 -5.159 6.354 -7.235 5 HG SER 7 HG SER 7 -7.440 6.562 -8.848 No H/Q in entry = 5 In of MODEL 3 1 H SER 8 H SER 8 -5.480 7.046 -4.087 2 HA SER 8 HA SER 8 -7.276 4.785 -3.655 3 HB2 SER 8 HB2 SER 8 -5.569 4.143 -1.857 4 HB3 SER 8 HB3 SER 8 -5.112 3.966 -3.554 5 HG SER 8 HG SER 8 -3.891 5.818 -3.418 No H/Q in entry = 5 In of MODEL 3 1 H LEU 9 H LEU 9 -6.963 7.965 -2.512 2 HA LEU 9 HA LEU 9 -6.784 7.657 0.202 3 HB2 LEU 9 HB2 LEU 9 -8.041 9.840 -1.397 4 HB3 LEU 9 HB3 LEU 9 -7.700 9.949 0.321 5 HG LEU 9 HG LEU 9 -5.599 9.370 -1.750 6 HD11 LEU 9 HD11 LEU 9 -6.368 11.977 -0.477 7 HD12 LEU 9 HD12 LEU 9 -4.965 11.703 -1.513 8 HD13 LEU 9 HD13 LEU 9 -6.594 11.513 -2.166 9 HD21 LEU 9 HD21 LEU 9 -5.456 10.185 1.152 10 HD22 LEU 9 HD22 LEU 9 -5.030 8.608 0.480 11 HD23 LEU 9 HD23 LEU 9 -4.071 10.034 0.070 No H/Q in entry = 11 In of MODEL 3 1 H ASP 10 H ASP 10 -9.727 7.568 -1.630 2 HA ASP 10 HA ASP 10 -11.256 7.290 0.854 3 HB2 ASP 10 HB2 ASP 10 -12.168 7.612 -2.011 4 HB3 ASP 10 HB3 ASP 10 -13.252 7.442 -0.633 No H/Q in entry = 4 In of MODEL 3 1 H THR 11 H THR 11 -9.566 5.288 -1.033 2 HA THR 11 HA THR 11 -11.448 3.088 -0.553 3 HB THR 11 HB THR 11 -10.451 1.954 -2.576 4 HG1 THR 11 HG1 THR 11 -9.657 4.563 -3.369 5 HG21 THR 11 HG21 THR 11 -11.957 4.534 -3.029 6 HG22 THR 11 HG22 THR 11 -11.828 3.208 -4.184 7 HG23 THR 11 HG23 THR 11 -12.669 2.965 -2.653 No H/Q in entry = 7 In of MODEL 3 1 H HIS 12 H HIS 12 -8.342 2.618 -1.990 2 HA HIS 12 HA HIS 12 -7.594 0.667 -0.167 3 HB2 HIS 12 HB2 HIS 12 -5.809 2.248 -2.014 4 HB3 HIS 12 HB3 HIS 12 -5.363 0.744 -1.226 5 HD1 HIS 12 HD1 HIS 12 -6.863 2.036 -4.286 6 HD2 HIS 12 HD2 HIS 12 -7.015 -1.470 -2.092 7 HE1 HIS 12 HE1 HIS 12 -7.811 0.310 -5.848 8 HE2 HIS 12 HE2 HIS 12 -7.855 -1.836 -4.517 No H/Q in entry = 8 In of MODEL 3 1 H LEU 13 H LEU 13 -6.834 4.126 -0.156 2 HA LEU 13 HA LEU 13 -5.064 3.635 2.149 3 HB2 LEU 13 HB2 LEU 13 -4.933 5.542 -0.101 4 HB3 LEU 13 HB3 LEU 13 -4.392 6.120 1.461 5 HG LEU 13 HG LEU 13 -2.491 5.305 0.222 6 HD11 LEU 13 HD11 LEU 13 -2.584 4.891 2.662 7 HD12 LEU 13 HD12 LEU 13 -3.189 3.270 2.326 8 HD13 LEU 13 HD13 LEU 13 -1.578 3.738 1.789 9 HD21 LEU 13 HD21 LEU 13 -4.003 2.707 -0.001 10 HD22 LEU 13 HD22 LEU 13 -3.569 3.796 -1.319 11 HD23 LEU 13 HD23 LEU 13 -2.309 2.934 -0.438 No H/Q in entry = 11 In of MODEL 3 1 H LYS 14 H LYS 14 -7.979 3.991 2.139 2 HA LYS 14 HA LYS 14 -8.599 6.595 3.095 3 HB2 LYS 14 HB2 LYS 14 -10.805 5.739 3.577 4 HB3 LYS 14 HB3 LYS 14 -10.274 5.185 2.003 5 HG2 LYS 14 HG2 LYS 14 -9.818 2.994 2.873 6 HG3 LYS 14 HG3 LYS 14 -10.176 3.534 4.516 7 HD2 LYS 14 HD2 LYS 14 -12.483 3.962 3.906 8 HD3 LYS 14 HD3 LYS 14 -12.145 3.535 2.226 9 HE2 LYS 14 HE2 LYS 14 -11.678 1.265 2.843 10 HE3 LYS 14 HE3 LYS 14 -11.812 1.655 4.557 11 HZ1 LYS 14 HZ1 LYS 14 -14.158 2.200 4.180 12 HZ2 LYS 14 HZ2 LYS 14 -14.008 1.743 2.558 13 HZ3 LYS 14 HZ3 LYS 14 -13.815 0.594 3.785 No H/Q in entry = 13 In of MODEL 3 1 H TRP 15 H TRP 15 -7.208 3.903 4.590 2 HA TRP 15 HA TRP 15 -8.180 4.370 7.246 3 HB2 TRP 15 HB2 TRP 15 -6.460 2.737 7.922 4 HB3 TRP 15 HB3 TRP 15 -7.444 2.138 6.591 5 HD1 TRP 15 HD1 TRP 15 -6.274 2.029 4.167 6 HE1 TRP 15 HE1 TRP 15 -3.799 1.824 3.485 7 HE3 TRP 15 HE3 TRP 15 -4.106 3.386 8.590 8 HZ2 TRP 15 HZ2 TRP 15 -1.261 2.191 4.677 9 HZ3 TRP 15 HZ3 TRP 15 -1.650 3.431 8.739 10 HH2 TRP 15 HH2 TRP 15 -0.259 2.846 6.821 No H/Q in entry = 10 In of MODEL 3 1 H LEU 16 H LEU 16 -6.034 6.016 5.288 2 HA LEU 16 HA LEU 16 -4.257 6.949 7.348 3 HB2 LEU 16 HB2 LEU 16 -4.910 8.079 4.617 4 HB3 LEU 16 HB3 LEU 16 -3.670 8.714 5.675 5 HG LEU 16 HG LEU 16 -3.634 5.913 4.537 6 HD11 LEU 16 HD11 LEU 16 -3.487 7.601 2.763 7 HD12 LEU 16 HD12 LEU 16 -2.138 8.364 3.611 8 HD13 LEU 16 HD13 LEU 16 -1.969 6.726 2.973 9 HD21 LEU 16 HD21 LEU 16 -1.534 7.559 5.949 10 HD22 LEU 16 HD22 LEU 16 -2.315 6.095 6.556 11 HD23 LEU 16 HD23 LEU 16 -1.237 6.012 5.158 No H/Q in entry = 11 In of MODEL 3 1 H SER 17 H SER 17 -4.371 8.884 8.432 2 HA SER 17 HA SER 17 -7.041 9.927 8.793 3 HB2 SER 17 HB2 SER 17 -4.549 11.006 10.091 4 HB3 SER 17 HB3 SER 17 -6.201 11.061 10.692 5 HG SER 17 HG SER 17 -4.658 9.395 11.569 No H/Q in entry = 5 In of MODEL 3 1 H GLN 18 H GLN 18 -7.392 12.388 8.786 2 HA GLN 18 HA GLN 18 -6.979 13.254 6.168 3 HB2 GLN 18 HB2 GLN 18 -8.782 14.107 7.660 4 HB3 GLN 18 HB3 GLN 18 -7.574 15.009 8.561 5 HG2 GLN 18 HG2 GLN 18 -8.764 16.439 6.999 6 HG3 GLN 18 HG3 GLN 18 -7.054 16.328 6.588 7 HE21 GLN 18 HE21 GLN 18 -6.439 15.270 4.711 8 HE22 GLN 18 HE22 GLN 18 -7.567 14.847 3.470 No H/Q in entry = 8 In of MODEL 3 1 H GLU 19 H GLU 19 -5.269 14.220 9.132 2 HA GLU 19 HA GLU 19 -3.549 16.069 7.982 3 HB2 GLU 19 HB2 GLU 19 -3.234 14.220 10.345 4 HB3 GLU 19 HB3 GLU 19 -2.086 15.466 9.939 5 HG2 GLU 19 HG2 GLU 19 -3.842 17.159 10.181 6 HG3 GLU 19 HG3 GLU 19 -4.960 15.883 10.663 No H/Q in entry = 6 In of MODEL 3 1 H GLN 20 H GLN 20 -3.376 12.555 8.149 2 HA GLN 20 HA GLN 20 -0.687 12.384 7.184 3 HB2 GLN 20 HB2 GLN 20 -2.739 10.192 6.927 4 HB3 GLN 20 HB3 GLN 20 -0.999 10.041 7.125 5 HG2 GLN 20 HG2 GLN 20 -2.961 10.962 9.207 6 HG3 GLN 20 HG3 GLN 20 -2.150 9.406 9.150 7 HE21 GLN 20 HE21 GLN 20 -0.030 9.255 9.783 8 HE22 GLN 20 HE22 GLN 20 0.805 10.533 10.590 No H/Q in entry = 8 In of MODEL 3 1 H LYS 21 H LYS 21 -3.908 11.996 5.724 2 HA LYS 21 HA LYS 21 -3.108 11.426 3.115 3 HB2 LYS 21 HB2 LYS 21 -5.508 12.993 4.078 4 HB3 LYS 21 HB3 LYS 21 -5.294 12.431 2.426 5 HG2 LYS 21 HG2 LYS 21 -5.265 10.118 3.218 6 HG3 LYS 21 HG3 LYS 21 -5.495 10.689 4.873 7 HD2 LYS 21 HD2 LYS 21 -7.641 11.623 4.303 8 HD3 LYS 21 HD3 LYS 21 -7.400 11.227 2.601 9 HE2 LYS 21 HE2 LYS 21 -7.402 8.858 3.128 10 HE3 LYS 21 HE3 LYS 21 -7.568 9.221 4.846 11 HZ1 LYS 21 HZ1 LYS 21 -9.548 9.894 2.739 12 HZ2 LYS 21 HZ2 LYS 21 -9.686 8.625 3.847 13 HZ3 LYS 21 HZ3 LYS 21 -9.713 10.226 4.388 No H/Q in entry = 13 In of MODEL 3 1 H ASP 22 H ASP 22 -3.740 14.554 4.633 2 HA ASP 22 HA ASP 22 -2.989 16.165 2.436 3 HB2 ASP 22 HB2 ASP 22 -4.304 16.932 4.408 4 HB3 ASP 22 HB3 ASP 22 -2.833 16.862 5.368 No H/Q in entry = 4 In of MODEL 3 1 H GLU 23 H GLU 23 -1.096 14.767 5.121 2 HA GLU 23 HA GLU 23 1.361 15.953 4.523 3 HB2 GLU 23 HB2 GLU 23 0.494 14.214 6.401 4 HB3 GLU 23 HB3 GLU 23 1.360 13.111 5.334 5 HG2 GLU 23 HG2 GLU 23 3.325 14.517 5.486 6 HG3 GLU 23 HG3 GLU 23 2.450 15.607 6.551 No H/Q in entry = 6 In of MODEL 3 1 H LEU 24 H LEU 24 -0.008 12.863 3.350 2 HA LEU 24 HA LEU 24 2.122 12.201 1.638 3 HB2 LEU 24 HB2 LEU 24 -0.799 11.478 1.706 4 HB3 LEU 24 HB3 LEU 24 0.255 10.868 0.453 5 HG LEU 24 HG LEU 24 -0.261 9.371 2.474 6 HD11 LEU 24 HD11 LEU 24 1.430 8.819 0.820 7 HD12 LEU 24 HD12 LEU 24 2.610 9.803 1.692 8 HD13 LEU 24 HD13 LEU 24 1.932 8.357 2.447 9 HD21 LEU 24 HD21 LEU 24 1.553 11.366 3.731 10 HD22 LEU 24 HD22 LEU 24 0.098 10.597 4.369 11 HD23 LEU 24 HD23 LEU 24 1.595 9.677 4.235 No H/Q in entry = 11 In of MODEL 3 1 H LEU 25 H LEU 25 -0.887 14.010 1.111 2 HA LEU 25 HA LEU 25 -0.610 14.462 -1.643 3 HB2 LEU 25 HB2 LEU 25 -1.944 16.114 0.498 4 HB3 LEU 25 HB3 LEU 25 -2.075 16.454 -1.212 5 HG LEU 25 HG LEU 25 -3.048 13.955 0.167 6 HD11 LEU 25 HD11 LEU 25 -4.414 15.915 0.658 7 HD12 LEU 25 HD12 LEU 25 -4.557 16.255 -1.065 8 HD13 LEU 25 HD13 LEU 25 -5.272 14.790 -0.393 9 HD21 LEU 25 HD21 LEU 25 -3.182 14.808 -2.720 10 HD22 LEU 25 HD22 LEU 25 -2.310 13.423 -2.060 11 HD23 LEU 25 HD23 LEU 25 -4.072 13.453 -2.028 No H/Q in entry = 11 In of MODEL 3 1 H LYS 26 H LYS 26 0.560 16.275 1.148 2 HA LYS 26 HA LYS 26 1.656 18.460 -0.272 3 HB2 LYS 26 HB2 LYS 26 1.250 18.568 2.131 4 HB3 LYS 26 HB3 LYS 26 2.419 17.286 2.410 5 HG2 LYS 26 HG2 LYS 26 3.354 19.457 2.965 6 HG3 LYS 26 HG3 LYS 26 4.211 18.733 1.604 7 HD2 LYS 26 HD2 LYS 26 2.873 20.119 0.061 8 HD3 LYS 26 HD3 LYS 26 2.089 20.874 1.450 9 HE2 LYS 26 HE2 LYS 26 4.248 21.716 2.216 10 HE3 LYS 26 HE3 LYS 26 5.043 20.943 0.847 11 HZ1 LYS 26 HZ1 LYS 26 3.745 22.352 -0.639 12 HZ2 LYS 26 HZ2 LYS 26 3.019 23.108 0.685 13 HZ3 LYS 26 HZ3 LYS 26 4.680 23.280 0.419 No H/Q in entry = 13 In of MODEL 3 1 H MET 27 H MET 27 3.092 15.428 0.900 2 HA MET 27 HA MET 27 5.621 15.816 -0.088 3 HB2 MET 27 HB2 MET 27 4.070 13.235 0.094 4 HB3 MET 27 HB3 MET 27 5.794 13.325 -0.223 5 HG2 MET 27 HG2 MET 27 5.546 14.829 2.043 6 HG3 MET 27 HG3 MET 27 4.326 13.576 2.279 7 HE1 MET 27 HE1 MET 27 5.666 11.269 0.517 8 HE2 MET 27 HE2 MET 27 6.600 10.349 1.697 9 HE3 MET 27 HE3 MET 27 4.961 10.881 2.086 No H/Q in entry = 9 In of MODEL 3 1 H LYS 28 H LYS 28 2.944 14.153 -1.788 2 HA LYS 28 HA LYS 28 4.300 13.706 -4.192 3 HB2 LYS 28 HB2 LYS 28 2.246 12.565 -3.705 4 HB3 LYS 28 HB3 LYS 28 1.370 14.081 -3.567 5 HG2 LYS 28 HG2 LYS 28 1.655 14.480 -5.946 6 HG3 LYS 28 HG3 LYS 28 2.584 12.990 -6.096 7 HD2 LYS 28 HD2 LYS 28 0.681 11.660 -5.519 8 HD3 LYS 28 HD3 LYS 28 -0.255 13.095 -5.090 9 HE2 LYS 28 HE2 LYS 28 0.816 12.564 -7.854 10 HE3 LYS 28 HE3 LYS 28 -0.795 12.087 -7.327 11 HZ1 LYS 28 HZ1 LYS 28 0.126 14.887 -7.104 12 HZ2 LYS 28 HZ2 LYS 28 -0.558 14.291 -8.532 13 HZ3 LYS 28 HZ3 LYS 28 -1.461 14.286 -7.103 No H/Q in entry = 13 In of MODEL 3 1 H LYS 29 H LYS 29 2.348 16.434 -3.108 2 HA LYS 29 HA LYS 29 2.373 17.916 -5.483 3 HB2 LYS 29 HB2 LYS 29 0.959 18.267 -3.381 4 HB3 LYS 29 HB3 LYS 29 2.344 19.106 -2.710 5 HG2 LYS 29 HG2 LYS 29 1.055 19.930 -5.295 6 HG3 LYS 29 HG3 LYS 29 0.523 20.532 -3.728 7 HD2 LYS 29 HD2 LYS 29 2.748 21.449 -3.318 8 HD3 LYS 29 HD3 LYS 29 3.301 20.818 -4.871 9 HE2 LYS 29 HE2 LYS 29 1.135 22.875 -4.450 10 HE3 LYS 29 HE3 LYS 29 2.771 23.194 -5.023 11 HZ1 LYS 29 HZ1 LYS 29 2.297 21.789 -6.956 12 HZ2 LYS 29 HZ2 LYS 29 0.709 21.575 -6.416 13 HZ3 LYS 29 HZ3 LYS 29 1.247 23.110 -6.864 No H/Q in entry = 13 In of MODEL 3 1 H ASP 30 H ASP 30 4.614 17.917 -2.737 2 HA ASP 30 HA ASP 30 6.077 20.154 -3.814 3 HB2 ASP 30 HB2 ASP 30 5.700 19.739 -1.350 4 HB3 ASP 30 HB3 ASP 30 6.838 18.400 -1.468 No H/Q in entry = 4 In of MODEL 3 1 H GLY 31 H GLY 31 6.017 17.003 -4.593 2 HA2 GLY 31 HA2 GLY 31 8.546 17.329 -6.001 3 HA3 GLY 31 HA3 GLY 31 7.274 16.188 -6.400 No H/Q in entry = 3 In of MODEL 3 1 H LYS 32 H LYS 32 7.237 15.441 -3.437 2 HA LYS 32 HA LYS 32 9.651 14.002 -3.023 3 HB2 LYS 32 HB2 LYS 32 6.863 13.580 -1.929 4 HB3 LYS 32 HB3 LYS 32 8.278 12.686 -1.392 5 HG2 LYS 32 HG2 LYS 32 8.124 15.684 -1.263 6 HG3 LYS 32 HG3 LYS 32 7.540 14.646 0.038 7 HD2 LYS 32 HD2 LYS 32 10.340 14.483 -1.055 8 HD3 LYS 32 HD3 LYS 32 9.895 15.532 0.291 9 HE2 LYS 32 HE2 LYS 32 9.115 13.590 1.551 10 HE3 LYS 32 HE3 LYS 32 9.535 12.539 0.201 11 HZ1 LYS 32 HZ1 LYS 32 11.506 14.233 1.623 12 HZ2 LYS 32 HZ2 LYS 32 11.204 12.618 2.020 13 HZ3 LYS 32 HZ3 LYS 32 11.822 13.009 0.494 No H/Q in entry = 13 In of MODEL 3 1 H ALA 33 H ALA 33 10.149 11.966 -3.602 2 HA ALA 33 HA ALA 33 9.050 11.103 -6.103 3 HB1 ALA 33 HB1 ALA 33 11.463 10.926 -5.492 4 HB2 ALA 33 HB2 ALA 33 11.031 9.634 -4.372 5 HB3 ALA 33 HB3 ALA 33 10.763 9.428 -6.101 No H/Q in entry = 5 In of MODEL 3 1 H LYS 34 H LYS 34 8.085 9.000 -6.543 2 HA LYS 34 HA LYS 34 5.988 8.357 -4.845 3 HB2 LYS 34 HB2 LYS 34 7.330 6.710 -6.983 4 HB3 LYS 34 HB3 LYS 34 5.883 6.177 -6.138 5 HG2 LYS 34 HG2 LYS 34 4.716 8.204 -6.929 6 HG3 LYS 34 HG3 LYS 34 6.159 8.640 -7.848 7 HD2 LYS 34 HD2 LYS 34 5.968 6.621 -9.170 8 HD3 LYS 34 HD3 LYS 34 4.603 6.077 -8.196 9 HE2 LYS 34 HE2 LYS 34 3.831 7.009 -10.304 10 HE3 LYS 34 HE3 LYS 34 3.297 8.006 -8.953 11 HZ1 LYS 34 HZ1 LYS 34 5.639 8.593 -10.684 12 HZ2 LYS 34 HZ2 LYS 34 4.123 9.328 -10.816 13 HZ3 LYS 34 HZ3 LYS 34 5.059 9.565 -9.428 No H/Q in entry = 13 In of MODEL 3 1 H LYS 35 H LYS 35 9.229 6.957 -5.002 2 HA LYS 35 HA LYS 35 8.767 4.877 -3.151 3 HB2 LYS 35 HB2 LYS 35 11.335 6.315 -3.822 4 HB3 LYS 35 HB3 LYS 35 11.234 4.827 -2.890 5 HG2 LYS 35 HG2 LYS 35 10.441 5.207 -5.768 6 HG3 LYS 35 HG3 LYS 35 11.841 4.324 -5.163 7 HD2 LYS 35 HD2 LYS 35 8.963 3.601 -4.612 8 HD3 LYS 35 HD3 LYS 35 9.977 2.845 -5.838 9 HE2 LYS 35 HE2 LYS 35 10.548 2.863 -2.877 10 HE3 LYS 35 HE3 LYS 35 9.838 1.517 -3.767 11 HZ1 LYS 35 HZ1 LYS 35 11.856 1.384 -5.093 12 HZ2 LYS 35 HZ2 LYS 35 12.536 2.665 -4.230 13 HZ3 LYS 35 HZ3 LYS 35 12.202 1.204 -3.449 No H/Q in entry = 13 In of MODEL 3 1 H GLU 36 H GLU 36 8.897 8.240 -2.633 2 HA GLU 36 HA GLU 36 9.717 7.978 0.145 3 HB2 GLU 36 HB2 GLU 36 8.813 10.448 -1.336 4 HB3 GLU 36 HB3 GLU 36 9.615 10.390 0.230 5 HG2 GLU 36 HG2 GLU 36 11.558 9.304 -0.917 6 HG3 GLU 36 HG3 GLU 36 10.760 9.659 -2.437 No H/Q in entry = 6 In of MODEL 3 1 H LEU 37 H LEU 37 6.893 8.412 -1.828 2 HA LEU 37 HA LEU 37 5.015 8.632 0.261 3 HB2 LEU 37 HB2 LEU 37 4.883 7.602 -2.568 4 HB3 LEU 37 HB3 LEU 37 3.474 7.741 -1.540 5 HG LEU 37 HG LEU 37 3.805 9.576 -3.188 6 HD11 LEU 37 HD11 LEU 37 2.371 9.823 -1.229 7 HD12 LEU 37 HD12 LEU 37 3.763 10.385 -0.301 8 HD13 LEU 37 HD13 LEU 37 3.155 11.348 -1.648 9 HD21 LEU 37 HD21 LEU 37 6.062 10.381 -1.398 10 HD22 LEU 37 HD22 LEU 37 6.170 9.922 -3.097 11 HD23 LEU 37 HD23 LEU 37 5.330 11.403 -2.636 No H/Q in entry = 11 In of MODEL 3 1 H GLU 38 H GLU 38 6.349 5.929 -1.558 2 HA GLU 38 HA GLU 38 4.975 3.792 -0.399 3 HB2 GLU 38 HB2 GLU 38 6.357 3.553 -2.393 4 HB3 GLU 38 HB3 GLU 38 7.799 3.962 -1.479 5 HG2 GLU 38 HG2 GLU 38 7.879 1.646 -1.748 6 HG3 GLU 38 HG3 GLU 38 7.333 1.895 -0.090 No H/Q in entry = 6 In of MODEL 3 1 H ALA 39 H ALA 39 7.408 5.837 0.857 2 HA ALA 39 HA ALA 39 8.270 3.957 2.894 3 HB1 ALA 39 HB1 ALA 39 9.160 6.787 2.393 4 HB2 ALA 39 HB2 ALA 39 9.917 5.625 3.480 5 HB3 ALA 39 HB3 ALA 39 9.922 5.338 1.740 No H/Q in entry = 5 In of MODEL 3 1 H LYS 40 H LYS 40 6.626 7.064 2.712 2 HA LYS 40 HA LYS 40 6.289 7.508 5.445 3 HB2 LYS 40 HB2 LYS 40 5.902 9.148 3.589 4 HB3 LYS 40 HB3 LYS 40 4.406 8.303 3.222 5 HG2 LYS 40 HG2 LYS 40 3.955 10.272 4.535 6 HG3 LYS 40 HG3 LYS 40 3.569 8.821 5.462 7 HD2 LYS 40 HD2 LYS 40 4.710 10.335 6.913 8 HD3 LYS 40 HD3 LYS 40 5.807 9.011 6.554 9 HE2 LYS 40 HE2 LYS 40 6.879 10.420 4.824 10 HE3 LYS 40 HE3 LYS 40 5.823 11.751 5.295 11 HZ1 LYS 40 HZ1 LYS 40 6.792 11.672 7.514 12 HZ2 LYS 40 HZ2 LYS 40 7.821 10.415 7.042 13 HZ3 LYS 40 HZ3 LYS 40 7.979 11.945 6.344 No H/Q in entry = 13 In of MODEL 3 1 H ILE 41 H ILE 41 4.155 5.888 3.092 2 HA ILE 41 HA ILE 41 2.069 5.336 4.891 3 HB ILE 41 HB ILE 41 2.865 3.901 2.357 4 HG12 ILE 41 HG12 ILE 41 0.779 6.040 2.826 5 HG13 ILE 41 HG13 ILE 41 2.378 6.341 2.158 6 HG21 ILE 41 HG21 ILE 41 1.414 2.521 3.743 7 HG22 ILE 41 HG22 ILE 41 0.262 3.849 3.876 8 HG23 ILE 41 HG23 ILE 41 0.558 3.092 2.311 9 HD11 ILE 41 HD11 ILE 41 0.258 4.601 0.934 10 HD12 ILE 41 HD12 ILE 41 0.691 6.233 0.425 11 HD13 ILE 41 HD13 ILE 41 1.857 4.918 0.262 No H/Q in entry = 11 In of MODEL 3 1 H LEU 42 H LEU 42 4.882 3.425 3.878 2 HA LEU 42 HA LEU 42 4.222 1.076 5.264 3 HB2 LEU 42 HB2 LEU 42 6.871 2.211 4.423 4 HB3 LEU 42 HB3 LEU 42 6.730 0.667 5.234 5 HG LEU 42 HG LEU 42 5.652 1.413 2.522 6 HD11 LEU 42 HD11 LEU 42 8.039 0.921 2.637 7 HD12 LEU 42 HD12 LEU 42 7.685 -0.621 3.417 8 HD13 LEU 42 HD13 LEU 42 7.165 -0.335 1.759 9 HD21 LEU 42 HD21 LEU 42 5.237 -1.108 4.131 10 HD22 LEU 42 HD22 LEU 42 3.994 0.009 3.565 11 HD23 LEU 42 HD23 LEU 42 4.905 -0.962 2.406 No H/Q in entry = 11 In of MODEL 3 1 H HIS 43 H HIS 43 5.959 3.973 6.285 2 HA HIS 43 HA HIS 43 6.699 3.029 8.837 3 HB2 HIS 43 HB2 HIS 43 7.501 5.170 7.718 4 HB3 HIS 43 HB3 HIS 43 5.977 5.895 8.220 5 HD1 HIS 43 HD1 HIS 43 5.961 6.910 10.504 6 HD2 HIS 43 HD2 HIS 43 9.036 4.161 10.021 7 HE1 HIS 43 HE1 HIS 43 7.318 7.038 12.616 8 HE2 HIS 43 HE2 HIS 43 9.240 5.452 12.253 No H/Q in entry = 8 In of MODEL 3 1 H TYR 44 H TYR 44 3.794 4.799 7.722 2 HA TYR 44 HA TYR 44 2.415 4.908 10.155 3 HB2 TYR 44 HB2 TYR 44 1.332 4.557 7.353 4 HB3 TYR 44 HB3 TYR 44 0.345 4.932 8.759 5 HD1 TYR 44 HD1 TYR 44 2.511 6.813 9.962 6 HD2 TYR 44 HD2 TYR 44 0.661 6.533 6.150 7 HE1 TYR 44 HE1 TYR 44 2.941 9.195 9.588 8 HE2 TYR 44 HE2 TYR 44 1.088 8.907 5.761 9 HH TYR 44 HH TYR 44 1.529 10.966 7.057 No H/Q in entry = 9 In of MODEL 3 1 H TYR 45 H TYR 45 2.505 2.470 7.638 2 HA TYR 45 HA TYR 45 0.594 0.711 8.583 3 HB2 TYR 45 HB2 TYR 45 1.491 0.583 6.342 4 HB3 TYR 45 HB3 TYR 45 3.101 0.250 6.962 5 HD1 TYR 45 HD1 TYR 45 -0.332 -1.126 7.182 6 HD2 TYR 45 HD2 TYR 45 3.824 -1.920 6.901 7 HE1 TYR 45 HE1 TYR 45 -0.815 -3.523 7.044 8 HE2 TYR 45 HE2 TYR 45 3.367 -4.329 6.762 9 HH TYR 45 HH TYR 45 1.738 -5.924 7.102 No H/Q in entry = 9 In of MODEL 3 1 H ASP 46 H ASP 46 4.078 0.850 9.288 2 HA ASP 46 HA ASP 46 3.959 -1.617 10.742 3 HB2 ASP 46 HB2 ASP 46 5.985 -0.865 9.480 4 HB3 ASP 46 HB3 ASP 46 6.200 0.420 10.661 No H/Q in entry = 4 In of MODEL 3 1 H GLU 47 H GLU 47 3.375 1.662 11.607 2 HA GLU 47 HA GLU 47 3.857 1.091 14.417 3 HB2 GLU 47 HB2 GLU 47 3.276 3.471 14.775 4 HB3 GLU 47 HB3 GLU 47 4.637 3.237 13.690 5 HG2 GLU 47 HG2 GLU 47 3.184 3.616 11.782 6 HG3 GLU 47 HG3 GLU 47 1.811 3.835 12.860 No H/Q in entry = 6 In of MODEL 3 1 H LEU 48 H LEU 48 1.528 0.201 12.458 2 HA LEU 48 HA LEU 48 -0.857 1.179 13.628 3 HB2 LEU 48 HB2 LEU 48 -0.165 -1.110 11.822 4 HB3 LEU 48 HB3 LEU 48 -1.805 -0.847 12.363 5 HG LEU 48 HG LEU 48 -0.161 1.115 10.785 6 HD11 LEU 48 HD11 LEU 48 -0.842 -0.842 9.491 7 HD12 LEU 48 HD12 LEU 48 -2.513 -0.594 9.994 8 HD13 LEU 48 HD13 LEU 48 -1.711 0.604 8.978 9 HD21 LEU 48 HD21 LEU 48 -2.962 1.196 11.881 10 HD22 LEU 48 HD22 LEU 48 -1.640 2.324 12.188 11 HD23 LEU 48 HD23 LEU 48 -2.394 2.264 10.593 No H/Q in entry = 11 In of MODEL 3 1 H GLU 49 H GLU 49 -2.204 -1.344 13.880 2 HA GLU 49 HA GLU 49 -1.308 -2.651 16.198 3 HB2 GLU 49 HB2 GLU 49 -2.892 -1.586 17.823 4 HB3 GLU 49 HB3 GLU 49 -1.534 -0.577 17.348 5 HG2 GLU 49 HG2 GLU 49 -2.989 0.602 15.772 6 HG3 GLU 49 HG3 GLU 49 -4.343 -0.397 16.291 No H/Q in entry = 6 In of MODEL 3 1 H GLY 50 H GLY 50 -2.469 -4.434 16.527 2 HA2 GLY 50 HA2 GLY 50 -5.149 -4.664 16.913 3 HA3 GLY 50 HA3 GLY 50 -4.140 -5.997 16.389 No H/Q in entry = 3 In of MODEL 3 1 H ASP 51 H ASP 51 -6.865 -4.344 15.725 2 HA ASP 51 HA ASP 51 -7.172 -5.695 13.212 3 HB2 ASP 51 HB2 ASP 51 -9.473 -4.866 13.260 4 HB3 ASP 51 HB3 ASP 51 -9.034 -5.590 14.802 No H/Q in entry = 4 In of MODEL 3 1 H ALA 52 H ALA 52 -6.340 -2.483 14.211 2 HA ALA 52 HA ALA 52 -6.969 -1.087 11.829 3 HB1 ALA 52 HB1 ALA 52 -4.658 -0.650 13.739 4 HB2 ALA 52 HB2 ALA 52 -5.190 0.483 12.495 5 HB3 ALA 52 HB3 ALA 52 -6.254 0.097 13.847 No H/Q in entry = 5 In of MODEL 3 1 H LYS 53 H LYS 53 -4.201 -2.937 12.896 2 HA LYS 53 HA LYS 53 -2.544 -2.683 10.667 3 HB2 LYS 53 HB2 LYS 53 -2.556 -4.120 13.091 4 HB3 LYS 53 HB3 LYS 53 -2.385 -5.323 11.827 5 HG2 LYS 53 HG2 LYS 53 -0.614 -2.923 12.216 6 HG3 LYS 53 HG3 LYS 53 -0.228 -4.579 12.674 7 HD2 LYS 53 HD2 LYS 53 -0.319 -5.269 10.347 8 HD3 LYS 53 HD3 LYS 53 -0.788 -3.639 9.863 9 HE2 LYS 53 HE2 LYS 53 1.576 -3.993 9.452 10 HE3 LYS 53 HE3 LYS 53 1.345 -2.782 10.709 11 HZ1 LYS 53 HZ1 LYS 53 2.017 -5.635 11.176 12 HZ2 LYS 53 HZ2 LYS 53 3.104 -4.346 11.265 13 HZ3 LYS 53 HZ3 LYS 53 1.833 -4.453 12.372 No H/Q in entry = 13 In of MODEL 3 1 H LYS 54 H LYS 54 -4.771 -5.322 11.521 2 HA LYS 54 HA LYS 54 -4.556 -6.805 9.181 3 HB2 LYS 54 HB2 LYS 54 -6.061 -8.123 10.130 4 HB3 LYS 54 HB3 LYS 54 -5.989 -7.025 11.497 5 HG2 LYS 54 HG2 LYS 54 -7.969 -5.950 10.881 6 HG3 LYS 54 HG3 LYS 54 -7.910 -6.599 9.234 7 HD2 LYS 54 HD2 LYS 54 -8.284 -8.828 10.086 8 HD3 LYS 54 HD3 LYS 54 -8.292 -8.219 11.741 9 HE2 LYS 54 HE2 LYS 54 -10.282 -6.915 11.295 10 HE3 LYS 54 HE3 LYS 54 -10.245 -7.388 9.597 11 HZ1 LYS 54 HZ1 LYS 54 -10.572 -9.286 11.855 12 HZ2 LYS 54 HZ2 LYS 54 -11.850 -8.662 10.937 13 HZ3 LYS 54 HZ3 LYS 54 -10.683 -9.646 10.206 No H/Q in entry = 13 In of MODEL 3 1 H GLU 55 H GLU 55 -6.781 -4.109 9.894 2 HA GLU 55 HA GLU 55 -8.176 -4.331 7.460 3 HB2 GLU 55 HB2 GLU 55 -7.947 -2.285 9.621 4 HB3 GLU 55 HB3 GLU 55 -8.676 -1.804 8.101 5 HG2 GLU 55 HG2 GLU 55 -10.106 -3.963 8.448 6 HG3 GLU 55 HG3 GLU 55 -9.630 -3.752 10.132 No H/Q in entry = 6 In of MODEL 3 1 H ALA 56 H ALA 56 -5.503 -2.179 8.472 2 HA ALA 56 HA ALA 56 -5.354 -0.877 6.009 3 HB1 ALA 56 HB1 ALA 56 -3.085 -0.215 6.647 4 HB2 ALA 56 HB2 ALA 56 -3.081 -1.430 7.924 5 HB3 ALA 56 HB3 ALA 56 -4.188 -0.060 8.014 No H/Q in entry = 5 In of MODEL 3 1 H THR 57 H THR 57 -3.555 -3.697 7.221 2 HA THR 57 HA THR 57 -1.994 -4.253 5.028 3 HB THR 57 HB THR 57 -3.382 -6.296 6.775 4 HG1 THR 57 HG1 THR 57 -2.239 -5.115 8.185 5 HG21 THR 57 HG21 THR 57 -0.883 -6.442 5.087 6 HG22 THR 57 HG22 THR 57 -1.392 -7.679 6.240 7 HG23 THR 57 HG23 THR 57 -2.392 -7.319 4.832 No H/Q in entry = 7 In of MODEL 3 1 H GLU 58 H GLU 58 -5.314 -5.308 5.654 2 HA GLU 58 HA GLU 58 -5.658 -6.801 3.264 3 HB2 GLU 58 HB2 GLU 58 -7.534 -5.600 5.273 4 HB3 GLU 58 HB3 GLU 58 -8.146 -6.360 3.805 5 HG2 GLU 58 HG2 GLU 58 -6.952 -8.428 4.423 6 HG3 GLU 58 HG3 GLU 58 -6.442 -7.653 5.922 No H/Q in entry = 6 In of MODEL 3 1 H HIS 59 H HIS 59 -5.903 -3.374 3.938 2 HA HIS 59 HA HIS 59 -7.316 -2.827 1.476 3 HB2 HIS 59 HB2 HIS 59 -6.019 -1.054 3.538 4 HB3 HIS 59 HB3 HIS 59 -6.656 -0.411 2.030 5 HD1 HIS 59 HD1 HIS 59 -9.286 -1.956 1.823 6 HD2 HIS 59 HD2 HIS 59 -7.876 -0.248 5.342 7 HE1 HIS 59 HE1 HIS 59 -11.313 -1.612 3.267 8 HE2 HIS 59 HE2 HIS 59 -10.421 -0.712 5.443 No H/Q in entry = 8 In of MODEL 3 1 H LEU 60 H LEU 60 -4.017 -2.292 2.700 2 HA LEU 60 HA LEU 60 -2.831 -1.587 0.326 3 HB2 LEU 60 HB2 LEU 60 -1.886 -2.934 2.819 4 HB3 LEU 60 HB3 LEU 60 -0.791 -2.736 1.461 5 HG LEU 60 HG LEU 60 -1.325 -0.307 1.522 6 HD11 LEU 60 HD11 LEU 60 -3.402 -0.390 2.691 7 HD12 LEU 60 HD12 LEU 60 -2.564 -0.913 4.154 8 HD13 LEU 60 HD13 LEU 60 -2.250 0.691 3.485 9 HD21 LEU 60 HD21 LEU 60 -0.037 -1.479 3.967 10 HD22 LEU 60 HD22 LEU 60 0.760 -1.138 2.431 11 HD23 LEU 60 HD23 LEU 60 0.151 0.189 3.421 No H/Q in entry = 11 In of MODEL 3 1 H LYS 61 H LYS 61 -3.703 -4.799 1.545 2 HA LYS 61 HA LYS 61 -2.356 -6.296 -0.431 3 HB2 LYS 61 HB2 LYS 61 -4.689 -6.856 1.364 4 HB3 LYS 61 HB3 LYS 61 -4.312 -7.974 0.063 5 HG2 LYS 61 HG2 LYS 61 -2.068 -8.288 0.978 6 HG3 LYS 61 HG3 LYS 61 -2.446 -7.162 2.284 7 HD2 LYS 61 HD2 LYS 61 -4.184 -8.635 3.102 8 HD3 LYS 61 HD3 LYS 61 -3.940 -9.728 1.736 9 HE2 LYS 61 HE2 LYS 61 -1.674 -10.197 2.512 10 HE3 LYS 61 HE3 LYS 61 -1.895 -9.086 3.863 11 HZ1 LYS 61 HZ1 LYS 61 -3.449 -11.572 3.397 12 HZ2 LYS 61 HZ2 LYS 61 -2.216 -11.380 4.536 13 HZ3 LYS 61 HZ3 LYS 61 -3.655 -10.513 4.696 No H/Q in entry = 13 In of MODEL 3 1 H GLY 62 H GLY 62 -5.766 -5.250 -0.234 2 HA2 GLY 62 HA2 GLY 62 -7.198 -4.580 -1.898 3 HA3 GLY 62 HA3 GLY 62 -6.546 -5.931 -2.815 No H/Q in entry = 3 In of MODEL 3 1 H GLY 63 H GLY 63 -4.910 -3.001 -1.657 2 HA2 GLY 63 HA2 GLY 63 -3.591 -1.490 -2.772 3 HA3 GLY 63 HA3 GLY 63 -4.767 -1.612 -4.075 No H/Q in entry = 3 In of MODEL 3 1 H CYS 64 H CYS 64 -2.479 -3.953 -2.703 2 HA CYS 64 HA CYS 64 -0.706 -4.014 -4.875 3 HB2 CYS 64 HB2 CYS 64 -0.139 -4.997 -2.713 4 HB3 CYS 64 HB3 CYS 64 -1.416 -6.191 -2.897 No H/Q in entry = 4 In of MODEL 3 1 H ARG 65 H ARG 65 -3.601 -5.873 -4.151 2 HA ARG 65 HA ARG 65 -3.556 -7.628 -6.325 3 HB2 ARG 65 HB2 ARG 65 -5.042 -7.857 -4.379 4 HB3 ARG 65 HB3 ARG 65 -5.929 -6.429 -4.886 5 HG2 ARG 65 HG2 ARG 65 -6.473 -7.667 -7.012 6 HG3 ARG 65 HG3 ARG 65 -5.819 -9.111 -6.230 7 HD2 ARG 65 HD2 ARG 65 -8.242 -8.994 -5.961 8 HD3 ARG 65 HD3 ARG 65 -7.424 -8.849 -4.405 9 HE ARG 65 HE ARG 65 -8.062 -6.333 -5.705 10 HH11 ARG 65 HH11 ARG 65 -9.128 -8.786 -3.427 11 HH12 ARG 65 HH12 ARG 65 -10.216 -7.715 -2.606 12 HH21 ARG 65 HH21 ARG 65 -9.463 -4.938 -4.630 13 HH22 ARG 65 HH22 ARG 65 -10.412 -5.518 -3.291 No H/Q in entry = 13 In of MODEL 3 1 H GLU 66 H GLU 66 -5.043 -4.414 -5.988 2 HA GLU 66 HA GLU 66 -6.093 -4.314 -8.607 3 HB2 GLU 66 HB2 GLU 66 -5.670 -2.365 -6.414 4 HB3 GLU 66 HB3 GLU 66 -5.857 -1.705 -8.030 5 HG2 GLU 66 HG2 GLU 66 -7.991 -1.722 -6.959 6 HG3 GLU 66 HG3 GLU 66 -8.000 -2.927 -8.241 No H/Q in entry = 6 In of MODEL 3 1 H ILE 67 H ILE 67 -2.996 -3.257 -7.253 2 HA ILE 67 HA ILE 67 -2.042 -2.107 -9.669 3 HB ILE 67 HB ILE 67 -0.615 -3.154 -7.231 4 HG12 ILE 67 HG12 ILE 67 -1.014 -0.381 -8.377 5 HG13 ILE 67 HG13 ILE 67 -1.883 -1.063 -7.009 6 HG21 ILE 67 HG21 ILE 67 0.863 -3.536 -9.145 7 HG22 ILE 67 HG22 ILE 67 0.655 -1.857 -9.647 8 HG23 ILE 67 HG23 ILE 67 1.471 -2.227 -8.129 9 HD11 ILE 67 HD11 ILE 67 0.205 -1.177 -5.748 10 HD12 ILE 67 HD12 ILE 67 1.065 -0.480 -7.122 11 HD13 ILE 67 HD13 ILE 67 -0.158 0.466 -6.275 No H/Q in entry = 11 In of MODEL 3 1 H LEU 68 H LEU 68 -1.860 -5.329 -8.267 2 HA LEU 68 HA LEU 68 -0.287 -6.507 -10.297 3 HB2 LEU 68 HB2 LEU 68 -0.931 -7.353 -7.931 4 HB3 LEU 68 HB3 LEU 68 -2.378 -7.964 -8.704 5 HG LEU 68 HG LEU 68 -1.082 -9.446 -10.096 6 HD11 LEU 68 HD11 LEU 68 1.319 -8.127 -8.837 7 HD12 LEU 68 HD12 LEU 68 1.376 -9.595 -9.814 8 HD13 LEU 68 HD13 LEU 68 0.849 -8.076 -10.535 9 HD21 LEU 68 HD21 LEU 68 -0.157 -9.531 -7.227 10 HD22 LEU 68 HD22 LEU 68 -1.651 -10.224 -7.859 11 HD23 LEU 68 HD23 LEU 68 -0.093 -10.872 -8.372 No H/Q in entry = 11 In of MODEL 3 1 H LYS 69 H LYS 69 -3.646 -5.752 -9.966 2 HA LYS 69 HA LYS 69 -4.586 -7.149 -12.222 3 HB2 LYS 69 HB2 LYS 69 -5.609 -4.715 -10.790 4 HB3 LYS 69 HB3 LYS 69 -6.401 -5.325 -12.234 5 HG2 LYS 69 HG2 LYS 69 -6.816 -7.447 -11.150 6 HG3 LYS 69 HG3 LYS 69 -5.947 -6.902 -9.710 7 HD2 LYS 69 HD2 LYS 69 -7.600 -5.112 -9.410 8 HD3 LYS 69 HD3 LYS 69 -8.462 -5.678 -10.839 9 HE2 LYS 69 HE2 LYS 69 -9.055 -7.711 -9.789 10 HE3 LYS 69 HE3 LYS 69 -7.934 -7.430 -8.457 11 HZ1 LYS 69 HZ1 LYS 69 -10.341 -5.786 -9.026 12 HZ2 LYS 69 HZ2 LYS 69 -10.240 -6.987 -7.840 13 HZ3 LYS 69 HZ3 LYS 69 -9.282 -5.596 -7.715 No H/Q in entry = 13 In of MODEL 3 1 H HIS 70 H HIS 70 -2.437 -4.622 -12.006 2 HA HIS 70 HA HIS 70 -3.038 -3.671 -14.709 3 HB2 HIS 70 HB2 HIS 70 -2.884 -1.871 -13.044 4 HB3 HIS 70 HB3 HIS 70 -1.276 -2.425 -12.584 5 HD1 HIS 70 HD1 HIS 70 -3.092 -0.472 -15.158 6 HD2 HIS 70 HD2 HIS 70 0.755 -1.894 -14.478 7 HE1 HIS 70 HE1 HIS 70 -1.629 0.753 -16.789 8 HE2 HIS 70 HE2 HIS 70 0.662 -0.252 -16.494 No H/Q in entry = 8 In of MODEL 3 1 H VAL 71 H VAL 71 -0.350 -4.500 -12.560 2 HA VAL 71 HA VAL 71 1.569 -4.483 -14.595 3 HB VAL 71 HB VAL 71 2.205 -3.921 -12.381 4 HG11 VAL 71 HG11 VAL 71 1.334 -6.636 -11.590 5 HG12 VAL 71 HG12 VAL 71 2.300 -5.554 -10.576 6 HG13 VAL 71 HG13 VAL 71 0.673 -5.079 -11.083 7 HG21 VAL 71 HG21 VAL 71 3.426 -6.431 -13.392 8 HG22 VAL 71 HG22 VAL 71 4.038 -4.778 -13.470 9 HG23 VAL 71 HG23 VAL 71 4.011 -5.634 -11.932 No H/Q in entry = 9 In of MODEL 3 1 H VAL 72 H VAL 72 0.051 -7.227 -12.859 2 HA VAL 72 HA VAL 72 1.228 -8.997 -14.844 3 HB VAL 72 HB VAL 72 0.923 -9.464 -12.258 4 HG11 VAL 72 HG11 VAL 72 -1.681 -10.388 -13.408 5 HG12 VAL 72 HG12 VAL 72 -1.007 -10.997 -11.894 6 HG13 VAL 72 HG13 VAL 72 -1.421 -9.288 -12.059 7 HG21 VAL 72 HG21 VAL 72 0.852 -11.280 -14.588 8 HG22 VAL 72 HG22 VAL 72 2.138 -10.993 -13.414 9 HG23 VAL 72 HG23 VAL 72 0.726 -11.951 -12.968 No H/Q in entry = 9 In of MODEL 3 1 H GLY 73 H GLY 73 -1.546 -7.199 -14.365 2 HA2 GLY 73 HA2 GLY 73 -2.820 -8.403 -16.671 3 HA3 GLY 73 HA3 GLY 73 -3.289 -6.910 -15.873 No H/Q in entry = 3 In of MODEL 3 1 H GLU 74 H GLU 74 -5.484 -7.780 -16.137 2 HA GLU 74 HA GLU 74 -6.455 -8.988 -13.776 3 HB2 GLU 74 HB2 GLU 74 -7.804 -8.710 -16.468 4 HB3 GLU 74 HB3 GLU 74 -8.615 -9.149 -14.972 5 HG2 GLU 74 HG2 GLU 74 -7.920 -6.960 -14.026 6 HG3 GLU 74 HG3 GLU 74 -7.282 -6.530 -15.612 No H/Q in entry = 6 In of MODEL 3 1 H GLU 75 H GLU 75 -5.276 -10.229 -16.747 2 HA GLU 75 HA GLU 75 -6.194 -12.826 -16.916 3 HB2 GLU 75 HB2 GLU 75 -4.653 -11.814 -18.510 4 HB3 GLU 75 HB3 GLU 75 -3.384 -11.795 -17.294 5 HG2 GLU 75 HG2 GLU 75 -2.940 -13.628 -18.697 6 HG3 GLU 75 HG3 GLU 75 -3.588 -14.291 -17.197 No H/Q in entry = 6 In of MODEL 3 1 H LYS 76 H LYS 76 -3.205 -11.912 -15.202 2 HA LYS 76 HA LYS 76 -3.069 -14.567 -14.132 3 HB2 LYS 76 HB2 LYS 76 -1.274 -12.188 -13.649 4 HB3 LYS 76 HB3 LYS 76 -0.932 -13.850 -13.240 5 HG2 LYS 76 HG2 LYS 76 -1.275 -12.758 -16.012 6 HG3 LYS 76 HG3 LYS 76 0.248 -13.207 -15.248 7 HD2 LYS 76 HD2 LYS 76 -2.037 -15.085 -15.847 8 HD3 LYS 76 HD3 LYS 76 -0.556 -14.937 -16.792 9 HE2 LYS 76 HE2 LYS 76 0.750 -15.633 -14.844 10 HE3 LYS 76 HE3 LYS 76 -0.728 -15.783 -13.901 11 HZ1 LYS 76 HZ1 LYS 76 -1.490 -17.474 -15.484 12 HZ2 LYS 76 HZ2 LYS 76 -0.010 -17.367 -16.306 13 HZ3 LYS 76 HZ3 LYS 76 -0.051 -17.929 -14.713 No H/Q in entry = 13 In of MODEL 3 1 H ALA 77 H ALA 77 -3.873 -11.359 -12.983 2 HA ALA 77 HA ALA 77 -3.904 -11.932 -10.224 3 HB1 ALA 77 HB1 ALA 77 -5.313 -9.949 -10.011 4 HB2 ALA 77 HB2 ALA 77 -5.576 -9.939 -11.755 5 HB3 ALA 77 HB3 ALA 77 -3.961 -9.649 -11.105 No H/Q in entry = 5 In of MODEL 3 1 H ALA 78 H ALA 78 -6.171 -12.530 -12.809 2 HA ALA 78 HA ALA 78 -8.405 -13.264 -11.232 3 HB1 ALA 78 HB1 ALA 78 -9.017 -14.571 -13.363 4 HB2 ALA 78 HB2 ALA 78 -8.866 -12.819 -13.485 5 HB3 ALA 78 HB3 ALA 78 -7.556 -13.851 -14.064 No H/Q in entry = 5 In of MODEL 3 1 H GLU 79 H GLU 79 -5.579 -14.957 -12.414 2 HA GLU 79 HA GLU 79 -6.521 -17.553 -11.637 3 HB2 GLU 79 HB2 GLU 79 -3.723 -16.680 -12.369 4 HB3 GLU 79 HB3 GLU 79 -4.316 -18.334 -12.296 5 HG2 GLU 79 HG2 GLU 79 -5.975 -17.668 -14.075 6 HG3 GLU 79 HG3 GLU 79 -5.039 -16.189 -14.256 No H/Q in entry = 6 In of MODEL 3 1 H LEU 80 H LEU 80 -4.564 -15.033 -10.230 2 HA LEU 80 HA LEU 80 -3.613 -16.593 -8.047 3 HB2 LEU 80 HB2 LEU 80 -3.881 -13.604 -8.357 4 HB3 LEU 80 HB3 LEU 80 -2.956 -14.417 -7.107 5 HG LEU 80 HG LEU 80 -2.377 -14.776 -10.040 6 HD11 LEU 80 HD11 LEU 80 -1.203 -12.791 -8.113 7 HD12 LEU 80 HD12 LEU 80 -0.512 -13.196 -9.686 8 HD13 LEU 80 HD13 LEU 80 -2.109 -12.449 -9.586 9 HD21 LEU 80 HD21 LEU 80 -0.791 -15.323 -7.540 10 HD22 LEU 80 HD22 LEU 80 -1.509 -16.518 -8.623 11 HD23 LEU 80 HD23 LEU 80 -0.186 -15.497 -9.188 No H/Q in entry = 11 In of MODEL 3 1 H LYS 81 H LYS 81 -6.416 -14.557 -8.623 2 HA LYS 81 HA LYS 81 -7.380 -14.559 -5.963 3 HB2 LYS 81 HB2 LYS 81 -8.175 -12.965 -7.676 4 HB3 LYS 81 HB3 LYS 81 -8.940 -14.291 -8.541 5 HG2 LYS 81 HG2 LYS 81 -10.621 -13.147 -7.295 6 HG3 LYS 81 HG3 LYS 81 -10.345 -14.713 -6.532 7 HD2 LYS 81 HD2 LYS 81 -8.844 -13.587 -4.898 8 HD3 LYS 81 HD3 LYS 81 -9.284 -12.040 -5.619 9 HE2 LYS 81 HE2 LYS 81 -11.126 -13.987 -4.236 10 HE3 LYS 81 HE3 LYS 81 -10.608 -12.412 -3.635 11 HZ1 LYS 81 HZ1 LYS 81 -11.740 -11.410 -5.572 12 HZ2 LYS 81 HZ2 LYS 81 -12.329 -12.937 -5.995 13 HZ3 LYS 81 HZ3 LYS 81 -12.796 -12.225 -4.534 No H/Q in entry = 13 In of MODEL 3 1 H ASN 82 H ASN 82 -8.140 -16.598 -8.788 2 HA ASN 82 HA ASN 82 -9.910 -18.277 -7.327 3 HB2 ASN 82 HB2 ASN 82 -9.894 -18.062 -9.845 4 HB3 ASN 82 HB3 ASN 82 -8.397 -18.983 -9.857 5 HD21 ASN 82 HD21 ASN 82 -9.203 -20.697 -11.000 6 HD22 ASN 82 HD22 ASN 82 -10.360 -21.806 -10.348 No H/Q in entry = 6 In of MODEL 3 1 H LEU 83 H LEU 83 -6.435 -18.351 -7.986 2 HA LEU 83 HA LEU 83 -5.811 -20.857 -7.006 3 HB2 LEU 83 HB2 LEU 83 -4.505 -18.351 -7.479 4 HB3 LEU 83 HB3 LEU 83 -3.954 -19.010 -5.960 5 HG LEU 83 HG LEU 83 -2.561 -19.566 -7.977 6 HD11 LEU 83 HD11 LEU 83 -3.723 -21.865 -6.418 7 HD12 LEU 83 HD12 LEU 83 -2.227 -21.921 -7.346 8 HD13 LEU 83 HD13 LEU 83 -2.353 -20.864 -5.940 9 HD21 LEU 83 HD21 LEU 83 -4.404 -19.932 -9.548 10 HD22 LEU 83 HD22 LEU 83 -3.314 -21.317 -9.468 11 HD23 LEU 83 HD23 LEU 83 -4.873 -21.375 -8.647 No H/Q in entry = 11 In of MODEL 3 1 H LYS 84 H LYS 84 -5.895 -17.813 -5.203 2 HA LYS 84 HA LYS 84 -5.692 -18.698 -2.620 3 HB2 LYS 84 HB2 LYS 84 -5.754 -16.331 -3.385 4 HB3 LYS 84 HB3 LYS 84 -7.490 -16.475 -3.601 5 HG2 LYS 84 HG2 LYS 84 -7.742 -16.901 -1.199 6 HG3 LYS 84 HG3 LYS 84 -5.998 -16.709 -0.997 7 HD2 LYS 84 HD2 LYS 84 -6.183 -14.416 -1.906 8 HD3 LYS 84 HD3 LYS 84 -7.932 -14.619 -1.998 9 HE2 LYS 84 HE2 LYS 84 -8.002 -14.972 0.430 10 HE3 LYS 84 HE3 LYS 84 -6.256 -14.727 0.506 11 HZ1 LYS 84 HZ1 LYS 84 -6.618 -12.479 -0.398 12 HZ2 LYS 84 HZ2 LYS 84 -8.290 -12.732 -0.329 13 HZ3 LYS 84 HZ3 LYS 84 -7.381 -12.710 1.095 No H/Q in entry = 13 In of MODEL 3 1 H ASP 85 H ASP 85 -8.744 -18.157 -4.366 2 HA ASP 85 HA ASP 85 -10.468 -19.073 -2.335 3 HB2 ASP 85 HB2 ASP 85 -11.218 -17.693 -4.221 4 HB3 ASP 85 HB3 ASP 85 -10.901 -19.031 -5.322 No H/Q in entry = 4 In of MODEL 3 1 H SER 86 H SER 86 -8.848 -20.842 -4.921 2 HA SER 86 HA SER 86 -10.395 -23.212 -4.400 3 HB2 SER 86 HB2 SER 86 -9.526 -22.621 -6.671 4 HB3 SER 86 HB3 SER 86 -7.896 -22.942 -6.089 5 HG SER 86 HG SER 86 -8.332 -24.899 -6.736 No H/Q in entry = 5 In of MODEL 3 1 H GLY 87 H GLY 87 -7.835 -21.766 -2.869 2 HA2 GLY 87 HA2 GLY 87 -7.281 -24.319 -1.486 3 HA3 GLY 87 HA3 GLY 87 -7.331 -22.756 -0.687 No H/Q in entry = 3 In of MODEL 3 1 H ALA 88 H ALA 88 -5.821 -21.334 -2.657 2 HA ALA 88 HA ALA 88 -3.225 -22.568 -2.498 3 HB1 ALA 88 HB1 ALA 88 -3.836 -19.706 -3.204 4 HB2 ALA 88 HB2 ALA 88 -3.776 -21.042 -4.353 5 HB3 ALA 88 HB3 ALA 88 -2.322 -20.572 -3.474 No H/Q in entry = 5 In of MODEL 3 1 H SER 89 H SER 89 -2.091 -22.563 -0.748 2 HA SER 89 HA SER 89 -2.727 -21.000 1.558 3 HB2 SER 89 HB2 SER 89 -1.689 -23.356 1.497 4 HB3 SER 89 HB3 SER 89 -0.164 -22.545 1.153 5 HG SER 89 HG SER 89 -1.191 -22.988 3.498 No H/Q in entry = 5 In of MODEL 3 1 H LYS 90 H LYS 90 -0.645 -19.915 2.668 2 HA LYS 90 HA LYS 90 -0.289 -17.518 1.310 3 HB2 LYS 90 HB2 LYS 90 -0.028 -17.721 3.721 4 HB3 LYS 90 HB3 LYS 90 1.386 -18.740 3.508 5 HG2 LYS 90 HG2 LYS 90 2.669 -16.929 2.666 6 HG3 LYS 90 HG3 LYS 90 1.242 -15.899 2.540 7 HD2 LYS 90 HD2 LYS 90 2.622 -15.332 4.493 8 HD3 LYS 90 HD3 LYS 90 1.009 -15.874 4.954 9 HE2 LYS 90 HE2 LYS 90 2.655 -16.859 6.422 10 HE3 LYS 90 HE3 LYS 90 1.920 -18.111 5.426 11 HZ1 LYS 90 HZ1 LYS 90 4.554 -16.845 4.903 12 HZ2 LYS 90 HZ2 LYS 90 4.327 -18.357 5.621 13 HZ3 LYS 90 HZ3 LYS 90 3.860 -18.108 4.016 No H/Q in entry = 13 In of MODEL 3 1 H GLU 91 H GLU 91 1.723 -20.400 1.359 2 HA GLU 91 HA GLU 91 3.940 -19.163 0.103 3 HB2 GLU 91 HB2 GLU 91 4.283 -21.067 1.534 4 HB3 GLU 91 HB3 GLU 91 3.208 -22.056 0.563 5 HG2 GLU 91 HG2 GLU 91 4.782 -22.012 -1.269 6 HG3 GLU 91 HG3 GLU 91 5.853 -20.955 -0.348 No H/Q in entry = 6 In of MODEL 3 1 H GLU 92 H GLU 92 1.338 -21.236 -1.086 2 HA GLU 92 HA GLU 92 2.043 -21.600 -3.709 3 HB2 GLU 92 HB2 GLU 92 -0.681 -21.173 -2.482 4 HB3 GLU 92 HB3 GLU 92 -0.387 -21.820 -4.089 5 HG2 GLU 92 HG2 GLU 92 0.900 -23.617 -3.074 6 HG3 GLU 92 HG3 GLU 92 0.449 -23.030 -1.487 No H/Q in entry = 6 In of MODEL 3 1 H LEU 93 H LEU 93 0.261 -18.972 -2.188 2 HA LEU 93 HA LEU 93 0.132 -17.425 -4.582 3 HB2 LEU 93 HB2 LEU 93 -0.153 -16.594 -1.702 4 HB3 LEU 93 HB3 LEU 93 -0.348 -15.486 -3.050 5 HG LEU 93 HG LEU 93 -2.097 -17.790 -2.247 6 HD11 LEU 93 HD11 LEU 93 -2.635 -14.928 -2.996 7 HD12 LEU 93 HD12 LEU 93 -3.856 -16.117 -2.539 8 HD13 LEU 93 HD13 LEU 93 -2.641 -15.606 -1.365 9 HD21 LEU 93 HD21 LEU 93 -1.980 -16.502 -4.973 10 HD22 LEU 93 HD22 LEU 93 -1.697 -18.199 -4.582 11 HD23 LEU 93 HD23 LEU 93 -3.306 -17.509 -4.392 No H/Q in entry = 11 In of MODEL 3 1 H LYS 94 H LYS 94 2.548 -17.713 -2.010 2 HA LYS 94 HA LYS 94 4.014 -15.435 -2.807 3 HB2 LYS 94 HB2 LYS 94 4.316 -16.568 -0.626 4 HB3 LYS 94 HB3 LYS 94 5.005 -17.955 -1.450 5 HG2 LYS 94 HG2 LYS 94 6.859 -16.575 -2.239 6 HG3 LYS 94 HG3 LYS 94 6.165 -15.179 -1.408 7 HD2 LYS 94 HD2 LYS 94 6.415 -16.303 0.733 8 HD3 LYS 94 HD3 LYS 94 7.042 -17.739 -0.075 9 HE2 LYS 94 HE2 LYS 94 8.320 -15.006 -0.067 10 HE3 LYS 94 HE3 LYS 94 8.845 -16.396 0.881 11 HZ1 LYS 94 HZ1 LYS 94 9.287 -17.580 -1.191 12 HZ2 LYS 94 HZ2 LYS 94 8.822 -16.224 -2.082 13 HZ3 LYS 94 HZ3 LYS 94 10.190 -16.155 -1.093 No H/Q in entry = 13 In of MODEL 3 1 H ALA 95 H ALA 95 4.087 -18.811 -3.721 2 HA ALA 95 HA ALA 95 6.352 -18.368 -5.438 3 HB1 ALA 95 HB1 ALA 95 6.131 -20.453 -4.083 4 HB2 ALA 95 HB2 ALA 95 4.748 -20.896 -5.084 5 HB3 ALA 95 HB3 ALA 95 6.353 -20.762 -5.806 No H/Q in entry = 5 In of MODEL 3 1 H LYS 96 H LYS 96 2.915 -18.534 -5.742 2 HA LYS 96 HA LYS 96 2.916 -18.535 -8.564 3 HB2 LYS 96 HB2 LYS 96 1.036 -17.471 -6.493 4 HB3 LYS 96 HB3 LYS 96 0.767 -17.137 -8.188 5 HG2 LYS 96 HG2 LYS 96 0.938 -19.862 -6.934 6 HG3 LYS 96 HG3 LYS 96 -0.535 -19.048 -7.456 7 HD2 LYS 96 HD2 LYS 96 0.299 -19.054 -9.768 8 HD3 LYS 96 HD3 LYS 96 1.750 -19.904 -9.230 9 HE2 LYS 96 HE2 LYS 96 0.334 -21.753 -8.425 10 HE3 LYS 96 HE3 LYS 96 -1.084 -20.913 -9.047 11 HZ1 LYS 96 HZ1 LYS 96 -0.117 -21.044 -11.272 12 HZ2 LYS 96 HZ2 LYS 96 1.204 -21.901 -10.655 13 HZ3 LYS 96 HZ3 LYS 96 -0.343 -22.577 -10.601 No H/Q in entry = 13 In of MODEL 3 1 H VAL 97 H VAL 97 2.560 -15.776 -6.396 2 HA VAL 97 HA VAL 97 2.530 -13.758 -8.209 3 HB VAL 97 HB VAL 97 3.710 -13.664 -5.434 4 HG11 VAL 97 HG11 VAL 97 2.706 -11.443 -7.198 5 HG12 VAL 97 HG12 VAL 97 3.181 -11.278 -5.509 6 HG13 VAL 97 HG13 VAL 97 4.380 -11.720 -6.719 7 HG21 VAL 97 HG21 VAL 97 0.931 -13.189 -6.488 8 HG22 VAL 97 HG22 VAL 97 1.463 -14.490 -5.417 9 HG23 VAL 97 HG23 VAL 97 1.456 -12.820 -4.843 No H/Q in entry = 9 In of MODEL 3 1 H GLU 98 H GLU 98 5.489 -15.189 -6.807 2 HA GLU 98 HA GLU 98 7.291 -13.303 -7.820 3 HB2 GLU 98 HB2 GLU 98 7.700 -16.254 -7.331 4 HB3 GLU 98 HB3 GLU 98 8.995 -15.119 -7.689 5 HG2 GLU 98 HG2 GLU 98 7.210 -15.169 -5.273 6 HG3 GLU 98 HG3 GLU 98 8.947 -15.469 -5.340 No H/Q in entry = 6 In of MODEL 3 1 H GLU 99 H GLU 99 5.940 -16.205 -9.310 2 HA GLU 99 HA GLU 99 7.519 -15.980 -11.693 3 HB2 GLU 99 HB2 GLU 99 4.970 -17.533 -11.203 4 HB3 GLU 99 HB3 GLU 99 6.057 -17.740 -12.570 5 HG2 GLU 99 HG2 GLU 99 6.765 -18.235 -9.686 6 HG3 GLU 99 HG3 GLU 99 6.355 -19.475 -10.870 No H/Q in entry = 6 In of MODEL 3 1 H ALA 100 H ALA 100 4.330 -14.955 -10.657 2 HA ALA 100 HA ALA 100 3.383 -14.080 -13.169 3 HB1 ALA 100 HB1 ALA 100 1.809 -14.385 -11.428 4 HB2 ALA 100 HB2 ALA 100 2.701 -13.328 -10.336 5 HB3 ALA 100 HB3 ALA 100 1.863 -12.648 -11.726 No H/Q in entry = 5 In of MODEL 3 1 H LEU 101 H LEU 101 5.156 -12.459 -10.575 2 HA LEU 101 HA LEU 101 5.238 -9.924 -11.867 3 HB2 LEU 101 HB2 LEU 101 6.840 -11.076 -9.597 4 HB3 LEU 101 HB3 LEU 101 7.000 -9.420 -10.152 5 HG LEU 101 HG LEU 101 4.471 -10.634 -9.036 6 HD11 LEU 101 HD11 LEU 101 6.201 -10.386 -7.342 7 HD12 LEU 101 HD12 LEU 101 6.437 -8.703 -7.815 8 HD13 LEU 101 HD13 LEU 101 4.908 -9.213 -7.099 9 HD21 LEU 101 HD21 LEU 101 5.146 -7.803 -9.832 10 HD22 LEU 101 HD22 LEU 101 4.011 -8.875 -10.652 11 HD23 LEU 101 HD23 LEU 101 3.669 -8.313 -9.016 No H/Q in entry = 11 In of MODEL 3 1 H HIS 102 H HIS 102 7.129 -12.795 -12.217 2 HA HIS 102 HA HIS 102 9.272 -11.299 -13.442 3 HB2 HIS 102 HB2 HIS 102 8.824 -14.205 -12.911 4 HB3 HIS 102 HB3 HIS 102 10.000 -13.731 -14.133 5 HD1 HIS 102 HD1 HIS 102 11.804 -11.834 -13.104 6 HD2 HIS 102 HD2 HIS 102 9.934 -14.440 -10.464 7 HE1 HIS 102 HE1 HIS 102 13.226 -11.833 -11.032 8 HE2 HIS 102 HE2 HIS 102 11.972 -13.269 -9.388 No H/Q in entry = 8 In of MODEL 3 1 H ALA 103 H ALA 103 6.656 -13.477 -14.465 2 HA ALA 103 HA ALA 103 7.423 -13.598 -17.155 3 HB1 ALA 103 HB1 ALA 103 4.690 -14.049 -15.971 4 HB2 ALA 103 HB2 ALA 103 5.991 -15.238 -16.013 5 HB3 ALA 103 HB3 ALA 103 5.275 -14.658 -17.520 No H/Q in entry = 5 In of MODEL 3 1 H VAL 104 H VAL 104 6.397 -10.858 -15.662 2 HA VAL 104 HA VAL 104 4.939 -9.830 -17.932 3 HB VAL 104 HB VAL 104 3.993 -9.242 -15.854 4 HG11 VAL 104 HG11 VAL 104 5.895 -9.720 -14.468 5 HG12 VAL 104 HG12 VAL 104 6.692 -8.252 -15.037 6 HG13 VAL 104 HG13 VAL 104 5.211 -8.143 -14.081 7 HG21 VAL 104 HG21 VAL 104 5.578 -6.896 -16.867 8 HG22 VAL 104 HG22 VAL 104 3.996 -7.409 -17.443 9 HG23 VAL 104 HG23 VAL 104 4.178 -6.784 -15.805 No H/Q in entry = 9 In of MODEL 3 1 H THR 105 H THR 105 5.691 -8.058 -19.151 2 HA THR 105 HA THR 105 8.486 -7.282 -18.759 3 HB THR 105 HB THR 105 8.883 -7.687 -21.253 4 HG1 THR 105 HG1 THR 105 7.132 -9.816 -21.186 5 HG21 THR 105 HG21 THR 105 8.585 -10.068 -19.419 6 HG22 THR 105 HG22 THR 105 9.547 -10.024 -20.896 7 HG23 THR 105 HG23 THR 105 9.992 -9.010 -19.526 No H/Q in entry = 7 In of MODEL 3 1 H ASP 106 H ASP 106 5.468 -6.153 -19.257 2 HA ASP 106 HA ASP 106 6.203 -4.060 -21.111 3 HB2 ASP 106 HB2 ASP 106 3.802 -4.967 -20.604 4 HB3 ASP 106 HB3 ASP 106 3.883 -3.889 -19.223 No H/Q in entry = 4 In of MODEL 3 1 H GLU 107 H GLU 107 7.090 -2.162 -20.600 2 HA GLU 107 HA GLU 107 8.710 -2.191 -18.352 3 HB2 GLU 107 HB2 GLU 107 9.347 -1.070 -20.401 4 HB3 GLU 107 HB3 GLU 107 8.072 0.121 -20.175 5 HG2 GLU 107 HG2 GLU 107 9.158 1.073 -18.310 6 HG3 GLU 107 HG3 GLU 107 10.281 -0.280 -18.185 No H/Q in entry = 6 In of MODEL 3 1 H GLU 108 H GLU 108 5.840 -0.182 -18.936 2 HA GLU 108 HA GLU 108 6.131 1.298 -16.552 3 HB2 GLU 108 HB2 GLU 108 3.763 1.976 -16.944 4 HB3 GLU 108 HB3 GLU 108 4.835 2.239 -18.307 5 HG2 GLU 108 HG2 GLU 108 3.153 1.330 -19.466 6 HG3 GLU 108 HG3 GLU 108 3.874 -0.189 -18.936 No H/Q in entry = 6 In of MODEL 3 1 H LYS 109 H LYS 109 4.833 -1.843 -17.177 2 HA LYS 109 HA LYS 109 3.473 -2.120 -14.666 3 HB2 LYS 109 HB2 LYS 109 4.427 -4.155 -16.686 4 HB3 LYS 109 HB3 LYS 109 3.428 -4.534 -15.293 5 HG2 LYS 109 HG2 LYS 109 1.657 -3.134 -16.131 6 HG3 LYS 109 HG3 LYS 109 2.659 -2.628 -17.484 7 HD2 LYS 109 HD2 LYS 109 2.698 -4.973 -18.271 8 HD3 LYS 109 HD3 LYS 109 1.632 -5.408 -16.938 9 HE2 LYS 109 HE2 LYS 109 0.438 -5.046 -19.088 10 HE3 LYS 109 HE3 LYS 109 -0.113 -3.998 -17.784 11 HZ1 LYS 109 HZ1 LYS 109 1.278 -2.215 -18.699 12 HZ2 LYS 109 HZ2 LYS 109 1.735 -3.227 -19.979 13 HZ3 LYS 109 HZ3 LYS 109 0.123 -2.752 -19.819 No H/Q in entry = 13 In of MODEL 3 1 H LYS 110 H LYS 110 6.632 -3.035 -15.973 2 HA LYS 110 HA LYS 110 7.551 -4.337 -13.627 3 HB2 LYS 110 HB2 LYS 110 9.108 -3.078 -15.887 4 HB3 LYS 110 HB3 LYS 110 9.806 -4.108 -14.647 5 HG2 LYS 110 HG2 LYS 110 8.316 -5.944 -15.421 6 HG3 LYS 110 HG3 LYS 110 7.798 -4.895 -16.744 7 HD2 LYS 110 HD2 LYS 110 10.654 -5.709 -16.207 8 HD3 LYS 110 HD3 LYS 110 9.601 -6.470 -17.396 9 HE2 LYS 110 HE2 LYS 110 9.431 -4.404 -18.631 10 HE3 LYS 110 HE3 LYS 110 10.342 -3.548 -17.391 11 HZ1 LYS 110 HZ1 LYS 110 11.408 -5.759 -19.057 12 HZ2 LYS 110 HZ2 LYS 110 11.705 -4.116 -19.322 13 HZ3 LYS 110 HZ3 LYS 110 12.271 -4.863 -17.916 No H/Q in entry = 13 In of MODEL 3 1 H GLN 111 H GLN 111 7.248 -1.059 -14.491 2 HA GLN 111 HA GLN 111 8.979 0.077 -12.582 3 HB2 GLN 111 HB2 GLN 111 6.329 1.093 -13.627 4 HB3 GLN 111 HB3 GLN 111 7.434 2.042 -12.643 5 HG2 GLN 111 HG2 GLN 111 7.981 0.924 -15.385 6 HG3 GLN 111 HG3 GLN 111 7.696 2.612 -14.967 7 HE21 GLN 111 HE21 GLN 111 9.948 -0.025 -14.859 8 HE22 GLN 111 HE22 GLN 111 11.336 0.898 -14.399 No H/Q in entry = 8 In of MODEL 3 1 H TYR 112 H TYR 112 5.709 -1.207 -12.309 2 HA TYR 112 HA TYR 112 5.330 -0.432 -9.567 3 HB2 TYR 112 HB2 TYR 112 3.934 -2.471 -11.304 4 HB3 TYR 112 HB3 TYR 112 3.490 -2.165 -9.627 5 HD1 TYR 112 HD1 TYR 112 3.392 0.591 -9.211 6 HD2 TYR 112 HD2 TYR 112 2.500 -1.512 -12.801 7 HE1 TYR 112 HE1 TYR 112 1.927 2.438 -9.931 8 HE2 TYR 112 HE2 TYR 112 1.047 0.328 -13.532 9 HH TYR 112 HH TYR 112 1.001 3.365 -11.978 No H/Q in entry = 9 In of MODEL 3 1 H ILE 113 H ILE 113 6.633 -3.202 -11.249 2 HA ILE 113 HA ILE 113 6.878 -4.936 -9.067 3 HB ILE 113 HB ILE 113 8.751 -4.686 -11.415 4 HG12 ILE 113 HG12 ILE 113 6.266 -6.362 -11.012 5 HG13 ILE 113 HG13 ILE 113 6.418 -4.980 -12.095 6 HG21 ILE 113 HG21 ILE 113 9.695 -5.996 -9.584 7 HG22 ILE 113 HG22 ILE 113 8.241 -6.993 -9.537 8 HG23 ILE 113 HG23 ILE 113 9.290 -7.027 -10.956 9 HD11 ILE 113 HD11 ILE 113 8.185 -6.224 -13.309 10 HD12 ILE 113 HD12 ILE 113 7.815 -7.620 -12.302 11 HD13 ILE 113 HD13 ILE 113 6.587 -6.959 -13.380 No H/Q in entry = 11 In of MODEL 3 1 H ALA 114 H ALA 114 9.169 -2.522 -10.349 2 HA ALA 114 HA ALA 114 11.179 -3.017 -8.360 3 HB1 ALA 114 HB1 ALA 114 11.818 -2.229 -10.555 4 HB2 ALA 114 HB2 ALA 114 12.283 -1.032 -9.346 5 HB3 ALA 114 HB3 ALA 114 10.853 -0.767 -10.349 No H/Q in entry = 5 In of MODEL 3 1 H ASP 115 H ASP 115 8.724 -0.552 -8.870 2 HA ASP 115 HA ASP 115 9.632 1.014 -6.649 3 HB2 ASP 115 HB2 ASP 115 7.163 1.217 -8.359 4 HB3 ASP 115 HB3 ASP 115 7.482 2.310 -7.017 No H/Q in entry = 4 In of MODEL 3 1 H PHE 116 H PHE 116 6.786 -1.008 -7.177 2 HA PHE 116 HA PHE 116 6.082 -0.559 -4.377 3 HB2 PHE 116 HB2 PHE 116 4.325 0.172 -5.788 4 HB3 PHE 116 HB3 PHE 116 4.439 -1.257 -6.804 5 HD1 PHE 116 HD1 PHE 116 3.586 -0.153 -3.395 6 HD2 PHE 116 HD2 PHE 116 3.009 -3.048 -6.453 7 HE1 PHE 116 HE1 PHE 116 1.779 -1.184 -2.073 8 HE2 PHE 116 HE2 PHE 116 1.210 -4.094 -5.140 9 HZ PHE 116 HZ PHE 116 0.567 -3.203 -3.017 No H/Q in entry = 9 In of MODEL 3 1 H GLY 117 H GLY 117 7.205 -2.979 -6.488 2 HA2 GLY 117 HA2 GLY 117 7.630 -5.218 -6.234 3 HA3 GLY 117 HA3 GLY 117 6.003 -5.306 -5.591 No H/Q in entry = 3 In of MODEL 3 1 HA PRO 118 HA PRO 118 9.752 -6.055 -2.462 2 HB2 PRO 118 HB2 PRO 118 10.241 -3.192 -1.806 3 HB3 PRO 118 HB3 PRO 118 11.382 -4.540 -1.890 4 HG2 PRO 118 HG2 PRO 118 11.275 -2.731 -3.841 5 HG3 PRO 118 HG3 PRO 118 11.533 -4.446 -4.199 6 HD2 PRO 118 HD2 PRO 118 9.088 -2.782 -4.542 7 HD3 PRO 118 HD3 PRO 118 9.683 -4.133 -5.526 No H/Q in entry = 7 In of MODEL 3 1 H ALA 119 H ALA 119 7.750 -3.161 -1.999 2 HA ALA 119 HA ALA 119 7.319 -3.729 0.810 3 HB1 ALA 119 HB1 ALA 119 7.489 -1.434 0.010 4 HB2 ALA 119 HB2 ALA 119 5.940 -1.752 0.790 5 HB3 ALA 119 HB3 ALA 119 6.041 -1.672 -0.968 No H/Q in entry = 5 In of MODEL 3 1 H CYS 120 H CYS 120 5.537 -4.116 -2.210 2 HA CYS 120 HA CYS 120 3.096 -4.980 -1.209 3 HB2 CYS 120 HB2 CYS 120 3.418 -4.695 -3.578 4 HB3 CYS 120 HB3 CYS 120 4.683 -5.917 -3.606 No H/Q in entry = 4 In of MODEL 3 1 H LYS 121 H LYS 121 6.212 -6.578 -1.266 2 HA LYS 121 HA LYS 121 5.376 -9.216 -0.768 3 HB2 LYS 121 HB2 LYS 121 7.918 -7.964 0.278 4 HB3 LYS 121 HB3 LYS 121 7.622 -9.663 -0.037 5 HG2 LYS 121 HG2 LYS 121 7.544 -7.632 -2.235 6 HG3 LYS 121 HG3 LYS 121 9.054 -8.348 -1.690 7 HD2 LYS 121 HD2 LYS 121 8.405 -9.660 -3.514 8 HD3 LYS 121 HD3 LYS 121 7.931 -10.606 -2.108 9 HE2 LYS 121 HE2 LYS 121 5.680 -10.229 -2.448 10 HE3 LYS 121 HE3 LYS 121 5.962 -8.749 -3.369 11 HZ1 LYS 121 HZ1 LYS 121 6.685 -11.462 -4.346 12 HZ2 LYS 121 HZ2 LYS 121 5.226 -10.685 -4.718 13 HZ3 LYS 121 HZ3 LYS 121 6.694 -10.013 -5.223 No H/Q in entry = 13 In of MODEL 3 1 H LYS 122 H LYS 122 6.464 -6.726 1.602 2 HA LYS 122 HA LYS 122 5.731 -8.259 3.869 3 HB2 LYS 122 HB2 LYS 122 5.939 -6.223 5.165 4 HB3 LYS 122 HB3 LYS 122 7.262 -6.326 4.020 5 HG2 LYS 122 HG2 LYS 122 6.009 -4.763 2.544 6 HG3 LYS 122 HG3 LYS 122 4.823 -4.582 3.833 7 HD2 LYS 122 HD2 LYS 122 7.757 -4.019 4.215 8 HD3 LYS 122 HD3 LYS 122 6.611 -2.794 3.683 9 HE2 LYS 122 HE2 LYS 122 6.780 -2.476 5.995 10 HE3 LYS 122 HE3 LYS 122 5.279 -3.369 5.784 11 HZ1 LYS 122 HZ1 LYS 122 7.864 -4.635 6.504 12 HZ2 LYS 122 HZ2 LYS 122 6.699 -4.162 7.631 13 HZ3 LYS 122 HZ3 LYS 122 6.338 -5.361 6.500 No H/Q in entry = 13 In of MODEL 3 1 H ILE 123 H ILE 123 3.931 -6.217 1.704 2 HA ILE 123 HA ILE 123 1.703 -5.753 3.350 3 HB ILE 123 HB ILE 123 2.004 -5.711 0.377 4 HG12 ILE 123 HG12 ILE 123 1.585 -3.562 2.461 5 HG13 ILE 123 HG13 ILE 123 3.131 -3.975 1.725 6 HG21 ILE 123 HG21 ILE 123 -0.438 -5.060 2.019 7 HG22 ILE 123 HG22 ILE 123 -0.224 -4.630 0.320 8 HG23 ILE 123 HG23 ILE 123 -0.289 -6.325 0.799 9 HD11 ILE 123 HD11 ILE 123 0.736 -2.944 0.251 10 HD12 ILE 123 HD12 ILE 123 2.114 -1.976 0.762 11 HD13 ILE 123 HD13 ILE 123 2.331 -3.262 -0.424 No H/Q in entry = 11 In of MODEL 3 1 H TYR 124 H TYR 124 2.228 -8.087 0.822 2 HA TYR 124 HA TYR 124 -0.035 -9.741 1.459 3 HB2 TYR 124 HB2 TYR 124 1.959 -9.593 -0.661 4 HB3 TYR 124 HB3 TYR 124 1.639 -11.250 -0.150 5 HD1 TYR 124 HD1 TYR 124 -0.628 -12.188 -0.329 6 HD2 TYR 124 HD2 TYR 124 0.301 -8.322 -1.838 7 HE1 TYR 124 HE1 TYR 124 -2.705 -12.213 -1.643 8 HE2 TYR 124 HE2 TYR 124 -1.780 -8.333 -3.158 9 HH TYR 124 HH TYR 124 -3.345 -9.985 -4.110 No H/Q in entry = 9 In of MODEL 3 1 H GLY 125 H GLY 125 1.631 -9.385 3.662 2 HA2 GLY 125 HA2 GLY 125 3.121 -10.403 5.183 3 HA3 GLY 125 HA3 GLY 125 4.145 -9.797 3.915 No H/Q in entry = 3 In of MODEL 3 1 H VAL 126 H VAL 126 3.206 -12.040 2.128 2 HA VAL 126 HA VAL 126 4.160 -14.499 2.928 3 HB VAL 126 HB VAL 126 4.903 -14.808 0.553 4 HG11 VAL 126 HG11 VAL 126 2.172 -13.605 0.976 5 HG12 VAL 126 HG12 VAL 126 2.656 -14.540 -0.437 6 HG13 VAL 126 HG13 VAL 126 2.618 -15.303 1.151 7 HG21 VAL 126 HG21 VAL 126 4.043 -11.926 0.287 8 HG22 VAL 126 HG22 VAL 126 5.679 -12.556 0.088 9 HG23 VAL 126 HG23 VAL 126 4.415 -13.009 -1.056 No H/Q in entry = 9 In of MODEL 3 1 H HIS 127 H HIS 127 5.913 -11.559 2.493 2 HA HIS 127 HA HIS 127 8.514 -12.558 2.080 3 HB2 HIS 127 HB2 HIS 127 7.886 -10.201 1.724 4 HB3 HIS 127 HB3 HIS 127 7.647 -10.001 3.452 5 HD1 HIS 127 HD1 HIS 127 9.623 -9.238 4.762 6 HD2 HIS 127 HD2 HIS 127 10.688 -10.723 1.027 7 HE1 HIS 127 HE1 HIS 127 12.084 -8.785 4.527 8 HE2 HIS 127 HE2 HIS 127 12.691 -9.619 2.231 No H/Q in entry = 8 In of MODEL 3 1 H THR 128 H THR 128 6.481 -12.646 4.778 2 HA THR 128 HA THR 128 6.698 -13.386 6.909 3 HB THR 128 HB THR 128 9.515 -14.279 6.343 4 HG1 THR 128 HG1 THR 128 7.216 -15.042 5.026 5 HG21 THR 128 HG21 THR 128 8.584 -14.605 8.596 6 HG22 THR 128 HG22 THR 128 7.243 -15.516 7.902 7 HG23 THR 128 HG23 THR 128 8.887 -16.143 7.788 No H/Q in entry = 7 In of MODEL 3 1 H SER 129 H SER 129 7.069 -10.761 6.573 2 HA SER 129 HA SER 129 9.553 -9.829 7.665 3 HB2 SER 129 HB2 SER 129 6.952 -8.346 7.212 4 HB3 SER 129 HB3 SER 129 8.525 -7.614 7.521 5 HG SER 129 HG SER 129 8.546 -7.595 5.397 No H/Q in entry = 5 In of MODEL 4 1 HA2 GLY -4 HA2 GLY -4 -14.504 17.933 -14.523 2 HA3 GLY -4 HA3 GLY -4 -13.563 18.324 -15.955 3 H1 GLY -4 H1 GLY -4 -15.758 17.569 -16.553 4 H2 GLY -4 H2 GLY -4 -15.530 16.119 -15.714 No H/Q in entry = 4 In of MODEL 4 1 H SER -3 H SER -3 -11.587 18.005 -14.945 2 HA SER -3 HA SER -3 -9.718 16.844 -14.398 3 HB2 SER -3 HB2 SER -3 -11.651 14.926 -13.067 4 HB3 SER -3 HB3 SER -3 -9.929 15.081 -12.722 5 HG SER -3 HG SER -3 -11.947 16.434 -11.651 No H/Q in entry = 5 In of MODEL 4 1 HA PRO -2 HA PRO -2 -10.502 13.913 -17.893 2 HB2 PRO -2 HB2 PRO -2 -8.743 14.934 -19.638 3 HB3 PRO -2 HB3 PRO -2 -10.347 15.641 -19.405 4 HG2 PRO -2 HG2 PRO -2 -7.711 16.526 -18.319 5 HG3 PRO -2 HG3 PRO -2 -9.034 17.502 -18.977 6 HD2 PRO -2 HD2 PRO -2 -8.578 17.137 -16.296 7 HD3 PRO -2 HD3 PRO -2 -10.167 17.517 -16.990 No H/Q in entry = 7 In of MODEL 4 1 H GLU -1 H GLU -1 -9.170 12.277 -18.790 2 HA GLU -1 HA GLU -1 -7.654 10.616 -18.652 3 HB2 GLU -1 HB2 GLU -1 -5.862 13.016 -18.359 4 HB3 GLU -1 HB3 GLU -1 -5.232 11.378 -18.459 5 HG2 GLU -1 HG2 GLU -1 -6.911 12.767 -20.538 6 HG3 GLU -1 HG3 GLU -1 -5.177 12.456 -20.627 No H/Q in entry = 6 In of MODEL 4 1 H PHE 0 H PHE 0 -8.809 10.057 -16.648 2 HA PHE 0 HA PHE 0 -7.581 10.536 -14.128 3 HB2 PHE 0 HB2 PHE 0 -9.926 9.895 -14.232 4 HB3 PHE 0 HB3 PHE 0 -9.509 8.377 -15.018 5 HD1 PHE 0 HD1 PHE 0 -8.631 10.266 -11.916 6 HD2 PHE 0 HD2 PHE 0 -9.487 6.499 -13.702 7 HE1 PHE 0 HE1 PHE 0 -8.457 9.186 -9.714 8 HE2 PHE 0 HE2 PHE 0 -9.318 5.413 -11.501 9 HZ PHE 0 HZ PHE 0 -8.783 6.745 -9.510 No H/Q in entry = 9 In of MODEL 4 1 H HIS 1 H HIS 1 -5.530 9.963 -13.887 2 HA HIS 1 HA HIS 1 -4.419 7.595 -15.056 3 HB2 HIS 1 HB2 HIS 1 -3.318 9.527 -13.004 4 HB3 HIS 1 HB3 HIS 1 -2.399 8.201 -13.707 5 HD1 HIS 1 HD1 HIS 1 -3.566 11.645 -14.383 6 HD2 HIS 1 HD2 HIS 1 -1.783 8.528 -16.476 7 HE1 HIS 1 HE1 HIS 1 -2.716 12.661 -16.519 8 HE2 HIS 1 HE2 HIS 1 -1.561 10.778 -17.729 No H/Q in entry = 8 In of MODEL 4 1 H HIS 2 H HIS 2 -3.961 5.667 -14.082 2 HA HIS 2 HA HIS 2 -5.619 5.113 -11.761 3 HB2 HIS 2 HB2 HIS 2 -4.065 3.247 -13.564 4 HB3 HIS 2 HB3 HIS 2 -5.141 2.738 -12.269 5 HD1 HIS 2 HD1 HIS 2 -5.371 2.284 -15.503 6 HD2 HIS 2 HD2 HIS 2 -7.654 4.773 -13.077 7 HE1 HIS 2 HE1 HIS 2 -7.530 2.642 -16.740 8 HE2 HIS 2 HE2 HIS 2 -8.959 3.984 -15.164 No H/Q in entry = 8 In of MODEL 4 1 H PHE 3 H PHE 3 -4.868 3.945 -9.947 2 HA PHE 3 HA PHE 3 -3.492 3.517 -8.199 3 HB2 PHE 3 HB2 PHE 3 -1.205 3.285 -10.148 4 HB3 PHE 3 HB3 PHE 3 -1.457 2.405 -8.645 5 HD1 PHE 3 HD1 PHE 3 -4.168 1.388 -8.903 6 HD2 PHE 3 HD2 PHE 3 -1.108 1.741 -11.837 7 HE1 PHE 3 HE1 PHE 3 -5.185 -0.451 -10.182 8 HE2 PHE 3 HE2 PHE 3 -2.117 -0.097 -13.118 9 HZ PHE 3 HZ PHE 3 -4.158 -1.195 -12.295 No H/Q in entry = 9 In of MODEL 4 1 H THR 4 H THR 4 -3.911 5.963 -7.957 2 HA THR 4 HA THR 4 -1.331 7.370 -8.027 3 HB THR 4 HB THR 4 -2.561 9.502 -8.224 4 HG1 THR 4 HG1 THR 4 -4.722 7.819 -7.881 5 HG21 THR 4 HG21 THR 4 -1.735 8.396 -10.238 6 HG22 THR 4 HG22 THR 4 -3.255 7.514 -10.385 7 HG23 THR 4 HG23 THR 4 -3.232 9.271 -10.558 No H/Q in entry = 7 In of MODEL 4 1 H LEU 5 H LEU 5 -2.997 9.546 -6.447 2 HA LEU 5 HA LEU 5 -2.109 8.312 -3.947 3 HB2 LEU 5 HB2 LEU 5 -1.899 11.184 -4.796 4 HB3 LEU 5 HB3 LEU 5 -1.777 10.685 -3.122 5 HG LEU 5 HG LEU 5 0.099 10.027 -5.383 6 HD11 LEU 5 HD11 LEU 5 0.387 12.183 -4.275 7 HD12 LEU 5 HD12 LEU 5 0.499 11.367 -2.717 8 HD13 LEU 5 HD13 LEU 5 1.737 11.094 -3.945 9 HD21 LEU 5 HD21 LEU 5 0.009 8.838 -2.609 10 HD22 LEU 5 HD22 LEU 5 -0.186 7.978 -4.137 11 HD23 LEU 5 HD23 LEU 5 1.368 8.696 -3.723 No H/Q in entry = 11 In of MODEL 4 1 H GLU 6 H GLU 6 -3.944 11.170 -4.794 2 HA GLU 6 HA GLU 6 -5.964 11.095 -2.939 3 HB2 GLU 6 HB2 GLU 6 -6.197 11.908 -5.842 4 HB3 GLU 6 HB3 GLU 6 -7.304 12.374 -4.559 5 HG2 GLU 6 HG2 GLU 6 -5.617 13.662 -3.471 6 HG3 GLU 6 HG3 GLU 6 -4.374 13.047 -4.559 No H/Q in entry = 6 In of MODEL 4 1 H SER 7 H SER 7 -5.724 9.188 -5.939 2 HA SER 7 HA SER 7 -8.358 8.329 -6.092 3 HB2 SER 7 HB2 SER 7 -7.467 6.374 -7.345 4 HB3 SER 7 HB3 SER 7 -6.807 7.914 -7.896 5 HG SER 7 HG SER 7 -5.568 5.805 -6.552 No H/Q in entry = 5 In of MODEL 4 1 H SER 8 H SER 8 -6.006 7.492 -3.713 2 HA SER 8 HA SER 8 -7.493 5.101 -2.999 3 HB2 SER 8 HB2 SER 8 -4.937 6.091 -1.763 4 HB3 SER 8 HB3 SER 8 -5.678 4.491 -1.593 5 HG SER 8 HG SER 8 -4.385 5.641 -3.831 No H/Q in entry = 5 In of MODEL 4 1 H LEU 9 H LEU 9 -7.430 8.394 -1.974 2 HA LEU 9 HA LEU 9 -7.075 8.041 0.759 3 HB2 LEU 9 HB2 LEU 9 -8.463 10.253 -0.704 4 HB3 LEU 9 HB3 LEU 9 -7.887 10.327 0.953 5 HG LEU 9 HG LEU 9 -6.094 9.798 -1.405 6 HD11 LEU 9 HD11 LEU 9 -6.674 12.378 0.020 7 HD12 LEU 9 HD12 LEU 9 -5.424 12.128 -1.201 8 HD13 LEU 9 HD13 LEU 9 -7.126 11.952 -1.630 9 HD21 LEU 9 HD21 LEU 9 -5.505 10.577 1.451 10 HD22 LEU 9 HD22 LEU 9 -5.231 8.990 0.725 11 HD23 LEU 9 HD23 LEU 9 -4.313 10.391 0.168 No H/Q in entry = 11 In of MODEL 4 1 H ASP 10 H ASP 10 -10.034 7.942 -1.032 2 HA ASP 10 HA ASP 10 -11.563 7.579 1.437 3 HB2 ASP 10 HB2 ASP 10 -12.294 8.975 -0.651 4 HB3 ASP 10 HB3 ASP 10 -12.705 7.415 -1.339 No H/Q in entry = 4 In of MODEL 4 1 H THR 11 H THR 11 -9.736 5.695 -0.491 2 HA THR 11 HA THR 11 -11.561 3.425 -0.251 3 HB THR 11 HB THR 11 -10.644 2.564 -2.404 4 HG1 THR 11 HG1 THR 11 -9.835 4.965 -3.366 5 HG21 THR 11 HG21 THR 11 -12.014 5.258 -2.454 6 HG22 THR 11 HG22 THR 11 -11.919 4.151 -3.829 7 HG23 THR 11 HG23 THR 11 -12.795 3.675 -2.374 No H/Q in entry = 7 In of MODEL 4 1 H HIS 12 H HIS 12 -8.434 3.074 -1.733 2 HA HIS 12 HA HIS 12 -7.704 1.023 0.011 3 HB2 HIS 12 HB2 HIS 12 -5.834 2.615 -1.748 4 HB3 HIS 12 HB3 HIS 12 -5.517 1.025 -1.082 5 HD1 HIS 12 HD1 HIS 12 -5.434 1.520 -4.130 6 HD2 HIS 12 HD2 HIS 12 -8.777 0.210 -2.061 7 HE1 HIS 12 HE1 HIS 12 -6.833 0.289 -5.822 8 HE2 HIS 12 HE2 HIS 12 -8.748 -0.676 -4.493 No H/Q in entry = 8 In of MODEL 4 1 H LEU 13 H LEU 13 -6.895 4.469 0.124 2 HA LEU 13 HA LEU 13 -5.121 3.882 2.405 3 HB2 LEU 13 HB2 LEU 13 -5.001 5.902 0.250 4 HB3 LEU 13 HB3 LEU 13 -4.429 6.383 1.834 5 HG LEU 13 HG LEU 13 -2.544 5.638 0.561 6 HD11 LEU 13 HD11 LEU 13 -2.661 4.989 2.956 7 HD12 LEU 13 HD12 LEU 13 -3.266 3.412 2.457 8 HD13 LEU 13 HD13 LEU 13 -1.653 3.929 1.974 9 HD21 LEU 13 HD21 LEU 13 -4.076 3.086 0.090 10 HD22 LEU 13 HD22 LEU 13 -3.655 4.300 -1.116 11 HD23 LEU 13 HD23 LEU 13 -2.388 3.354 -0.338 No H/Q in entry = 11 In of MODEL 4 1 H LYS 14 H LYS 14 -8.025 4.238 2.404 2 HA LYS 14 HA LYS 14 -8.769 6.783 3.355 3 HB2 LYS 14 HB2 LYS 14 -10.886 5.795 3.880 4 HB3 LYS 14 HB3 LYS 14 -10.319 5.107 2.370 5 HG2 LYS 14 HG2 LYS 14 -9.493 3.140 3.700 6 HG3 LYS 14 HG3 LYS 14 -10.348 3.818 5.084 7 HD2 LYS 14 HD2 LYS 14 -11.573 2.991 2.454 8 HD3 LYS 14 HD3 LYS 14 -11.713 2.132 3.988 9 HE2 LYS 14 HE2 LYS 14 -12.742 4.910 3.425 10 HE3 LYS 14 HE3 LYS 14 -13.718 3.446 3.474 11 HZ1 LYS 14 HZ1 LYS 14 -13.056 3.169 5.807 12 HZ2 LYS 14 HZ2 LYS 14 -12.220 4.638 5.742 13 HZ3 LYS 14 HZ3 LYS 14 -13.895 4.612 5.548 No H/Q in entry = 13 In of MODEL 4 1 H TRP 15 H TRP 15 -7.292 4.121 4.947 2 HA TRP 15 HA TRP 15 -8.238 4.706 7.573 3 HB2 TRP 15 HB2 TRP 15 -6.479 3.095 8.294 4 HB3 TRP 15 HB3 TRP 15 -7.541 2.451 7.049 5 HD1 TRP 15 HD1 TRP 15 -6.505 2.130 4.599 6 HE1 TRP 15 HE1 TRP 15 -4.076 1.863 3.796 7 HE3 TRP 15 HE3 TRP 15 -4.081 3.825 8.768 8 HZ2 TRP 15 HZ2 TRP 15 -1.473 2.313 4.803 9 HZ3 TRP 15 HZ3 TRP 15 -1.622 3.872 8.768 10 HH2 TRP 15 HH2 TRP 15 -0.346 3.132 6.825 No H/Q in entry = 10 In of MODEL 4 1 H LEU 16 H LEU 16 -6.084 6.280 5.565 2 HA LEU 16 HA LEU 16 -4.239 7.212 7.561 3 HB2 LEU 16 HB2 LEU 16 -4.943 8.298 4.826 4 HB3 LEU 16 HB3 LEU 16 -3.681 8.954 5.847 5 HG LEU 16 HG LEU 16 -3.672 6.134 4.754 6 HD11 LEU 16 HD11 LEU 16 -3.536 7.840 2.979 7 HD12 LEU 16 HD12 LEU 16 -2.142 8.550 3.797 8 HD13 LEU 16 HD13 LEU 16 -2.048 6.910 3.150 9 HD21 LEU 16 HD21 LEU 16 -1.552 7.785 6.133 10 HD22 LEU 16 HD22 LEU 16 -2.336 6.333 6.760 11 HD23 LEU 16 HD23 LEU 16 -1.269 6.225 5.358 No H/Q in entry = 11 In of MODEL 4 1 H SER 17 H SER 17 -4.306 9.076 8.685 2 HA SER 17 HA SER 17 -6.884 10.192 9.222 3 HB2 SER 17 HB2 SER 17 -4.199 11.262 10.095 4 HB3 SER 17 HB3 SER 17 -5.761 11.558 10.859 5 HG SER 17 HG SER 17 -4.314 9.860 11.785 No H/Q in entry = 5 In of MODEL 4 1 H GLN 18 H GLN 18 -7.343 12.624 9.056 2 HA GLN 18 HA GLN 18 -6.974 13.484 6.410 3 HB2 GLN 18 HB2 GLN 18 -7.711 15.052 8.885 4 HB3 GLN 18 HB3 GLN 18 -7.672 15.765 7.279 5 HG2 GLN 18 HG2 GLN 18 -9.419 13.491 8.185 6 HG3 GLN 18 HG3 GLN 18 -9.929 15.148 7.863 7 HE21 GLN 18 HE21 GLN 18 -10.040 15.872 5.729 8 HE22 GLN 18 HE22 GLN 18 -10.070 14.776 4.391 No H/Q in entry = 8 In of MODEL 4 1 H GLU 19 H GLU 19 -5.283 14.392 9.369 2 HA GLU 19 HA GLU 19 -3.494 16.202 8.255 3 HB2 GLU 19 HB2 GLU 19 -3.380 14.380 10.645 4 HB3 GLU 19 HB3 GLU 19 -2.070 15.461 10.244 5 HG2 GLU 19 HG2 GLU 19 -4.893 16.243 10.871 6 HG3 GLU 19 HG3 GLU 19 -3.480 16.483 11.898 No H/Q in entry = 6 In of MODEL 4 1 H GLN 20 H GLN 20 -3.491 12.686 8.320 2 HA GLN 20 HA GLN 20 -0.830 12.443 7.301 3 HB2 GLN 20 HB2 GLN 20 -3.112 10.473 7.442 4 HB3 GLN 20 HB3 GLN 20 -1.521 10.069 6.813 5 HG2 GLN 20 HG2 GLN 20 -0.532 10.635 8.979 6 HG3 GLN 20 HG3 GLN 20 -2.136 11.007 9.606 7 HE21 GLN 20 HE21 GLN 20 -0.188 9.013 10.482 8 HE22 GLN 20 HE22 GLN 20 -0.992 7.483 10.386 No H/Q in entry = 8 In of MODEL 4 1 H LYS 21 H LYS 21 -4.092 12.289 5.846 2 HA LYS 21 HA LYS 21 -3.304 11.824 3.209 3 HB2 LYS 21 HB2 LYS 21 -5.592 13.560 4.168 4 HB3 LYS 21 HB3 LYS 21 -5.409 12.931 2.538 5 HG2 LYS 21 HG2 LYS 21 -5.505 10.621 3.537 6 HG3 LYS 21 HG3 LYS 21 -5.965 11.389 5.059 7 HD2 LYS 21 HD2 LYS 21 -7.896 12.415 3.962 8 HD3 LYS 21 HD3 LYS 21 -7.431 11.670 2.435 9 HE2 LYS 21 HE2 LYS 21 -9.137 10.305 3.304 10 HE3 LYS 21 HE3 LYS 21 -7.636 9.439 3.623 11 HZ1 LYS 21 HZ1 LYS 21 -8.947 11.179 5.633 12 HZ2 LYS 21 HZ2 LYS 21 -9.273 9.526 5.503 13 HZ3 LYS 21 HZ3 LYS 21 -7.710 10.048 5.887 No H/Q in entry = 13 In of MODEL 4 1 H ASP 22 H ASP 22 -3.784 14.891 4.899 2 HA ASP 22 HA ASP 22 -2.879 16.602 2.852 3 HB2 ASP 22 HB2 ASP 22 -4.172 17.405 4.763 4 HB3 ASP 22 HB3 ASP 22 -2.870 16.959 5.856 No H/Q in entry = 4 In of MODEL 4 1 H GLU 23 H GLU 23 -1.111 14.833 5.388 2 HA GLU 23 HA GLU 23 1.420 15.956 4.937 3 HB2 GLU 23 HB2 GLU 23 0.704 14.492 6.834 4 HB3 GLU 23 HB3 GLU 23 0.700 13.134 5.724 5 HG2 GLU 23 HG2 GLU 23 2.712 13.083 6.944 6 HG3 GLU 23 HG3 GLU 23 3.079 13.556 5.290 No H/Q in entry = 6 In of MODEL 4 1 H LEU 24 H LEU 24 -0.102 13.014 3.580 2 HA LEU 24 HA LEU 24 2.080 12.298 1.946 3 HB2 LEU 24 HB2 LEU 24 -0.832 11.576 1.997 4 HB3 LEU 24 HB3 LEU 24 0.223 10.956 0.747 5 HG LEU 24 HG LEU 24 -0.255 9.477 2.787 6 HD11 LEU 24 HD11 LEU 24 2.572 9.997 1.914 7 HD12 LEU 24 HD12 LEU 24 2.029 8.579 2.817 8 HD13 LEU 24 HD13 LEU 24 1.424 8.871 1.186 9 HD21 LEU 24 HD21 LEU 24 1.483 11.544 4.012 10 HD22 LEU 24 HD22 LEU 24 0.076 10.710 4.674 11 HD23 LEU 24 HD23 LEU 24 1.617 9.865 4.523 No H/Q in entry = 11 In of MODEL 4 1 H LEU 25 H LEU 25 -0.904 14.113 1.250 2 HA LEU 25 HA LEU 25 -0.450 14.447 -1.509 3 HB2 LEU 25 HB2 LEU 25 -1.978 16.164 0.447 4 HB3 LEU 25 HB3 LEU 25 -2.028 16.363 -1.291 5 HG LEU 25 HG LEU 25 -2.937 13.904 0.207 6 HD11 LEU 25 HD11 LEU 25 -4.412 15.821 0.560 7 HD12 LEU 25 HD12 LEU 25 -4.537 16.042 -1.187 8 HD13 LEU 25 HD13 LEU 25 -5.182 14.585 -0.435 9 HD21 LEU 25 HD21 LEU 25 -3.055 14.605 -2.722 10 HD22 LEU 25 HD22 LEU 25 -2.087 13.329 -1.984 11 HD23 LEU 25 HD23 LEU 25 -3.846 13.217 -1.976 No H/Q in entry = 11 In of MODEL 4 1 H LYS 26 H LYS 26 0.615 16.214 1.303 2 HA LYS 26 HA LYS 26 1.682 18.510 0.065 3 HB2 LYS 26 HB2 LYS 26 1.263 17.947 2.558 4 HB3 LYS 26 HB3 LYS 26 2.851 17.198 2.499 5 HG2 LYS 26 HG2 LYS 26 3.797 19.358 1.771 6 HG3 LYS 26 HG3 LYS 26 2.200 20.084 1.972 7 HD2 LYS 26 HD2 LYS 26 3.941 18.845 4.093 8 HD3 LYS 26 HD3 LYS 26 3.448 20.533 3.959 9 HE2 LYS 26 HE2 LYS 26 1.653 18.176 4.531 10 HE3 LYS 26 HE3 LYS 26 2.171 19.396 5.689 11 HZ1 LYS 26 HZ1 LYS 26 0.530 19.946 3.276 12 HZ2 LYS 26 HZ2 LYS 26 -0.085 19.769 4.842 13 HZ3 LYS 26 HZ3 LYS 26 0.956 21.055 4.480 No H/Q in entry = 13 In of MODEL 4 1 H MET 27 H MET 27 3.113 15.431 0.997 2 HA MET 27 HA MET 27 5.665 15.698 0.156 3 HB2 MET 27 HB2 MET 27 3.888 13.282 -0.162 4 HB3 MET 27 HB3 MET 27 5.643 13.253 -0.249 5 HG2 MET 27 HG2 MET 27 4.300 14.364 2.165 6 HG3 MET 27 HG3 MET 27 4.431 12.624 1.946 7 HE1 MET 27 HE1 MET 27 6.573 11.266 1.977 8 HE2 MET 27 HE2 MET 27 7.182 12.144 0.574 9 HE3 MET 27 HE3 MET 27 8.203 11.940 1.997 No H/Q in entry = 9 In of MODEL 4 1 H LYS 28 H LYS 28 3.005 14.485 -1.879 2 HA LYS 28 HA LYS 28 4.475 14.198 -4.258 3 HB2 LYS 28 HB2 LYS 28 2.147 13.306 -3.651 4 HB3 LYS 28 HB3 LYS 28 1.550 14.873 -4.176 5 HG2 LYS 28 HG2 LYS 28 3.274 13.194 -5.964 6 HG3 LYS 28 HG3 LYS 28 1.536 12.927 -5.851 7 HD2 LYS 28 HD2 LYS 28 1.080 15.148 -6.625 8 HD3 LYS 28 HD3 LYS 28 2.789 15.581 -6.536 9 HE2 LYS 28 HE2 LYS 28 1.633 13.463 -8.347 10 HE3 LYS 28 HE3 LYS 28 2.016 15.111 -8.842 11 HZ1 LYS 28 HZ1 LYS 28 3.973 13.149 -7.774 12 HZ2 LYS 28 HZ2 LYS 28 3.781 13.541 -9.407 13 HZ3 LYS 28 HZ3 LYS 28 4.327 14.712 -8.316 No H/Q in entry = 13 In of MODEL 4 1 H LYS 29 H LYS 29 2.610 16.927 -2.997 2 HA LYS 29 HA LYS 29 2.883 18.475 -5.371 3 HB2 LYS 29 HB2 LYS 29 2.061 19.288 -2.584 4 HB3 LYS 29 HB3 LYS 29 1.963 20.333 -3.995 5 HG2 LYS 29 HG2 LYS 29 0.487 17.733 -3.615 6 HG3 LYS 29 HG3 LYS 29 -0.199 19.351 -3.463 7 HD2 LYS 29 HD2 LYS 29 0.310 19.781 -5.823 8 HD3 LYS 29 HD3 LYS 29 0.991 18.160 -5.970 9 HE2 LYS 29 HE2 LYS 29 -1.188 17.197 -5.407 10 HE3 LYS 29 HE3 LYS 29 -1.867 18.818 -5.263 11 HZ1 LYS 29 HZ1 LYS 29 -1.372 19.185 -7.603 12 HZ2 LYS 29 HZ2 LYS 29 -0.734 17.627 -7.737 13 HZ3 LYS 29 HZ3 LYS 29 -2.376 17.841 -7.406 No H/Q in entry = 13 In of MODEL 4 1 H ASP 30 H ASP 30 4.936 17.986 -2.657 2 HA ASP 30 HA ASP 30 6.435 20.410 -3.265 3 HB2 ASP 30 HB2 ASP 30 6.136 20.002 -0.905 4 HB3 ASP 30 HB3 ASP 30 6.710 18.347 -1.064 No H/Q in entry = 4 In of MODEL 4 1 H GLY 31 H GLY 31 6.305 17.280 -4.262 2 HA2 GLY 31 HA2 GLY 31 8.823 17.661 -5.675 3 HA3 GLY 31 HA3 GLY 31 7.548 16.535 -6.109 No H/Q in entry = 3 In of MODEL 4 1 H LYS 32 H LYS 32 7.533 15.690 -3.166 2 HA LYS 32 HA LYS 32 9.943 14.250 -2.785 3 HB2 LYS 32 HB2 LYS 32 7.153 13.581 -1.810 4 HB3 LYS 32 HB3 LYS 32 8.647 12.887 -1.205 5 HG2 LYS 32 HG2 LYS 32 7.860 15.785 -0.983 6 HG3 LYS 32 HG3 LYS 32 7.724 14.581 0.298 7 HD2 LYS 32 HD2 LYS 32 10.242 14.231 -0.033 8 HD3 LYS 32 HD3 LYS 32 10.200 15.750 -0.929 9 HE2 LYS 32 HE2 LYS 32 9.350 15.327 1.933 10 HE3 LYS 32 HE3 LYS 32 10.804 16.157 1.388 11 HZ1 LYS 32 HZ1 LYS 32 9.358 17.817 0.306 12 HZ2 LYS 32 HZ2 LYS 32 8.003 17.031 0.945 13 HZ3 LYS 32 HZ3 LYS 32 9.123 17.747 1.983 No H/Q in entry = 13 In of MODEL 4 1 H ALA 33 H ALA 33 10.375 12.126 -3.302 2 HA ALA 33 HA ALA 33 9.323 11.255 -5.825 3 HB1 ALA 33 HB1 ALA 33 11.698 10.979 -5.274 4 HB2 ALA 33 HB2 ALA 33 11.261 9.866 -3.975 5 HB3 ALA 33 HB3 ALA 33 10.937 9.433 -5.654 No H/Q in entry = 5 In of MODEL 4 1 H LYS 34 H LYS 34 8.306 9.178 -6.241 2 HA LYS 34 HA LYS 34 6.205 8.541 -4.527 3 HB2 LYS 34 HB2 LYS 34 7.528 6.625 -6.465 4 HB3 LYS 34 HB3 LYS 34 5.882 6.526 -5.856 5 HG2 LYS 34 HG2 LYS 34 5.298 8.562 -7.034 6 HG3 LYS 34 HG3 LYS 34 6.960 8.725 -7.603 7 HD2 LYS 34 HD2 LYS 34 6.696 6.484 -8.706 8 HD3 LYS 34 HD3 LYS 34 4.980 6.562 -8.298 9 HE2 LYS 34 HE2 LYS 34 5.345 7.313 -10.578 10 HE3 LYS 34 HE3 LYS 34 4.783 8.646 -9.572 11 HZ1 LYS 34 HZ1 LYS 34 7.610 8.145 -10.332 12 HZ2 LYS 34 HZ2 LYS 34 6.602 9.315 -11.021 13 HZ3 LYS 34 HZ3 LYS 34 7.052 9.440 -9.395 No H/Q in entry = 13 In of MODEL 4 1 H LYS 35 H LYS 35 9.456 7.271 -4.716 2 HA LYS 35 HA LYS 35 9.294 5.092 -3.001 3 HB2 LYS 35 HB2 LYS 35 11.488 7.027 -3.666 4 HB3 LYS 35 HB3 LYS 35 11.740 5.804 -2.435 5 HG2 LYS 35 HG2 LYS 35 12.634 5.079 -4.559 6 HG3 LYS 35 HG3 LYS 35 11.287 4.052 -4.077 7 HD2 LYS 35 HD2 LYS 35 9.822 5.146 -5.639 8 HD3 LYS 35 HD3 LYS 35 11.055 6.350 -6.020 9 HE2 LYS 35 HE2 LYS 35 12.430 4.724 -7.080 10 HE3 LYS 35 HE3 LYS 35 11.436 3.399 -6.483 11 HZ1 LYS 35 HZ1 LYS 35 10.472 5.471 -8.374 12 HZ2 LYS 35 HZ2 LYS 35 11.058 3.958 -8.849 13 HZ3 LYS 35 HZ3 LYS 35 9.655 4.061 -7.899 No H/Q in entry = 13 In of MODEL 4 1 H GLU 36 H GLU 36 9.080 8.485 -2.278 2 HA GLU 36 HA GLU 36 9.795 8.133 0.513 3 HB2 GLU 36 HB2 GLU 36 8.854 10.624 -0.909 4 HB3 GLU 36 HB3 GLU 36 9.621 10.536 0.670 5 HG2 GLU 36 HG2 GLU 36 11.633 9.583 -0.454 6 HG3 GLU 36 HG3 GLU 36 10.853 9.911 -1.989 No H/Q in entry = 6 In of MODEL 4 1 H LEU 37 H LEU 37 7.027 8.643 -1.531 2 HA LEU 37 HA LEU 37 5.068 8.842 0.477 3 HB2 LEU 37 HB2 LEU 37 5.066 7.899 -2.385 4 HB3 LEU 37 HB3 LEU 37 3.604 7.996 -1.427 5 HG LEU 37 HG LEU 37 4.052 9.891 -3.002 6 HD11 LEU 37 HD11 LEU 37 2.445 10.029 -1.182 7 HD12 LEU 37 HD12 LEU 37 3.734 10.540 -0.093 8 HD13 LEU 37 HD13 LEU 37 3.247 11.580 -1.432 9 HD21 LEU 37 HD21 LEU 37 6.104 10.676 -0.966 10 HD22 LEU 37 HD22 LEU 37 6.411 10.241 -2.648 11 HD23 LEU 37 HD23 LEU 37 5.500 11.702 -2.267 No H/Q in entry = 11 In of MODEL 4 1 H GLU 38 H GLU 38 6.375 6.175 -1.401 2 HA GLU 38 HA GLU 38 4.920 4.033 -0.370 3 HB2 GLU 38 HB2 GLU 38 6.376 3.913 -2.339 4 HB3 GLU 38 HB3 GLU 38 7.787 4.162 -1.325 5 HG2 GLU 38 HG2 GLU 38 7.042 2.010 -0.132 6 HG3 GLU 38 HG3 GLU 38 6.042 1.750 -1.562 No H/Q in entry = 6 In of MODEL 4 1 H ALA 39 H ALA 39 7.433 5.924 1.001 2 HA ALA 39 HA ALA 39 8.123 3.954 3.023 3 HB1 ALA 39 HB1 ALA 39 9.196 6.739 2.609 4 HB2 ALA 39 HB2 ALA 39 9.853 5.508 3.687 5 HB3 ALA 39 HB3 ALA 39 9.891 5.261 1.942 No H/Q in entry = 5 In of MODEL 4 1 H LYS 40 H LYS 40 6.693 7.168 2.837 2 HA LYS 40 HA LYS 40 6.228 7.645 5.524 3 HB2 LYS 40 HB2 LYS 40 5.919 9.252 3.637 4 HB3 LYS 40 HB3 LYS 40 4.439 8.407 3.208 5 HG2 LYS 40 HG2 LYS 40 3.868 10.358 4.454 6 HG3 LYS 40 HG3 LYS 40 3.544 8.943 5.456 7 HD2 LYS 40 HD2 LYS 40 4.596 10.515 6.866 8 HD3 LYS 40 HD3 LYS 40 5.819 9.309 6.489 9 HE2 LYS 40 HE2 LYS 40 6.741 10.788 4.766 10 HE3 LYS 40 HE3 LYS 40 5.522 11.999 5.160 11 HZ1 LYS 40 HZ1 LYS 40 6.456 12.088 7.418 12 HZ2 LYS 40 HZ2 LYS 40 7.670 11.008 6.953 13 HZ3 LYS 40 HZ3 LYS 40 7.579 12.536 6.239 No H/Q in entry = 13 In of MODEL 4 1 H ILE 41 H ILE 41 4.055 6.059 3.154 2 HA ILE 41 HA ILE 41 1.978 5.554 4.991 3 HB ILE 41 HB ILE 41 2.680 4.132 2.421 4 HG12 ILE 41 HG12 ILE 41 0.643 6.303 2.949 5 HG13 ILE 41 HG13 ILE 41 2.241 6.590 2.268 6 HG21 ILE 41 HG21 ILE 41 1.231 2.770 3.825 7 HG22 ILE 41 HG22 ILE 41 0.112 4.120 3.995 8 HG23 ILE 41 HG23 ILE 41 0.359 3.371 2.418 9 HD11 ILE 41 HD11 ILE 41 0.091 4.893 1.040 10 HD12 ILE 41 HD12 ILE 41 0.535 6.529 0.550 11 HD13 ILE 41 HD13 ILE 41 1.688 5.206 0.355 No H/Q in entry = 11 In of MODEL 4 1 H LEU 42 H LEU 42 4.648 3.541 3.808 2 HA LEU 42 HA LEU 42 4.028 1.220 5.229 3 HB2 LEU 42 HB2 LEU 42 6.570 2.349 4.134 4 HB3 LEU 42 HB3 LEU 42 6.602 0.878 5.075 5 HG LEU 42 HG LEU 42 5.202 1.330 2.445 6 HD11 LEU 42 HD11 LEU 42 7.440 -0.499 3.275 7 HD12 LEU 42 HD12 LEU 42 6.700 -0.440 1.677 8 HD13 LEU 42 HD13 LEU 42 7.589 0.956 2.288 9 HD21 LEU 42 HD21 LEU 42 5.043 -0.993 4.346 10 HD22 LEU 42 HD22 LEU 42 3.719 -0.046 3.662 11 HD23 LEU 42 HD23 LEU 42 4.661 -1.127 2.627 No H/Q in entry = 11 In of MODEL 4 1 H HIS 43 H HIS 43 5.795 4.100 6.184 2 HA HIS 43 HA HIS 43 6.693 3.188 8.701 3 HB2 HIS 43 HB2 HIS 43 7.380 5.321 7.483 4 HB3 HIS 43 HB3 HIS 43 5.870 6.026 8.045 5 HD1 HIS 43 HD1 HIS 43 6.018 7.219 10.228 6 HD2 HIS 43 HD2 HIS 43 9.049 4.421 9.760 7 HE1 HIS 43 HE1 HIS 43 7.511 7.501 12.225 8 HE2 HIS 43 HE2 HIS 43 9.412 5.892 11.853 No H/Q in entry = 8 In of MODEL 4 1 H TYR 44 H TYR 44 3.781 5.099 7.833 2 HA TYR 44 HA TYR 44 2.551 5.130 10.331 3 HB2 TYR 44 HB2 TYR 44 1.331 5.028 7.565 4 HB3 TYR 44 HB3 TYR 44 0.411 5.350 9.025 5 HD1 TYR 44 HD1 TYR 44 2.513 7.057 10.401 6 HD2 TYR 44 HD2 TYR 44 0.967 7.070 6.446 7 HE1 TYR 44 HE1 TYR 44 3.039 9.438 10.216 8 HE2 TYR 44 HE2 TYR 44 1.489 9.456 6.242 9 HH TYR 44 HH TYR 44 3.492 11.092 8.444 No H/Q in entry = 9 In of MODEL 4 1 H TYR 45 H TYR 45 2.341 2.812 7.715 2 HA TYR 45 HA TYR 45 0.403 1.087 8.613 3 HB2 TYR 45 HB2 TYR 45 1.329 1.011 6.382 4 HB3 TYR 45 HB3 TYR 45 2.916 0.602 7.010 5 HD1 TYR 45 HD1 TYR 45 -0.566 -0.720 6.970 6 HD2 TYR 45 HD2 TYR 45 3.599 -1.547 6.992 7 HE1 TYR 45 HE1 TYR 45 -1.046 -3.115 6.675 8 HE2 TYR 45 HE2 TYR 45 3.141 -3.933 6.701 9 HH TYR 45 HH TYR 45 0.027 -5.128 5.901 No H/Q in entry = 9 In of MODEL 4 1 H ASP 46 H ASP 46 3.900 1.002 9.307 2 HA ASP 46 HA ASP 46 3.646 -1.446 10.765 3 HB2 ASP 46 HB2 ASP 46 5.744 -0.711 9.562 4 HB3 ASP 46 HB3 ASP 46 5.982 0.484 10.832 No H/Q in entry = 4 In of MODEL 4 1 H GLU 47 H GLU 47 3.184 1.857 11.593 2 HA GLU 47 HA GLU 47 3.661 1.405 14.424 3 HB2 GLU 47 HB2 GLU 47 2.643 3.857 12.980 4 HB3 GLU 47 HB3 GLU 47 3.118 3.777 14.666 5 HG2 GLU 47 HG2 GLU 47 5.414 3.288 13.999 6 HG3 GLU 47 HG3 GLU 47 4.930 3.372 12.304 No H/Q in entry = 6 In of MODEL 4 1 H LEU 48 H LEU 48 1.334 0.305 12.591 2 HA LEU 48 HA LEU 48 -1.016 1.458 13.715 3 HB2 LEU 48 HB2 LEU 48 -0.480 -0.936 11.991 4 HB3 LEU 48 HB3 LEU 48 -2.093 -0.509 12.512 5 HG LEU 48 HG LEU 48 -0.282 1.226 10.859 6 HD11 LEU 48 HD11 LEU 48 -1.198 -0.680 9.644 7 HD12 LEU 48 HD12 LEU 48 -2.821 -0.235 10.172 8 HD13 LEU 48 HD13 LEU 48 -1.915 0.837 9.104 9 HD21 LEU 48 HD21 LEU 48 -3.015 1.644 12.029 10 HD22 LEU 48 HD22 LEU 48 -1.576 2.651 12.214 11 HD23 LEU 48 HD23 LEU 48 -2.407 2.582 10.660 No H/Q in entry = 11 In of MODEL 4 1 H GLU 49 H GLU 49 -2.468 -0.966 14.039 2 HA GLU 49 HA GLU 49 -1.636 -1.744 16.731 3 HB2 GLU 49 HB2 GLU 49 -4.191 -0.334 15.979 4 HB3 GLU 49 HB3 GLU 49 -4.077 -1.313 17.434 5 HG2 GLU 49 HG2 GLU 49 -2.267 0.999 16.811 6 HG3 GLU 49 HG3 GLU 49 -3.727 1.117 17.792 No H/Q in entry = 6 In of MODEL 4 1 H GLY 50 H GLY 50 -4.246 -2.960 17.298 2 HA2 GLY 50 HA2 GLY 50 -5.171 -5.051 17.095 3 HA3 GLY 50 HA3 GLY 50 -3.744 -5.506 16.180 No H/Q in entry = 3 In of MODEL 4 1 H ASP 51 H ASP 51 -6.982 -4.176 15.971 2 HA ASP 51 HA ASP 51 -7.491 -5.418 13.455 3 HB2 ASP 51 HB2 ASP 51 -9.013 -3.324 15.025 4 HB3 ASP 51 HB3 ASP 51 -9.592 -3.997 13.508 No H/Q in entry = 4 In of MODEL 4 1 H ALA 52 H ALA 52 -6.319 -2.268 14.402 2 HA ALA 52 HA ALA 52 -6.935 -0.833 12.054 3 HB1 ALA 52 HB1 ALA 52 -4.533 -0.475 13.856 4 HB2 ALA 52 HB2 ALA 52 -5.183 0.713 12.727 5 HB3 ALA 52 HB3 ALA 52 -6.127 0.225 14.135 No H/Q in entry = 5 In of MODEL 4 1 H LYS 53 H LYS 53 -4.107 -2.780 12.913 2 HA LYS 53 HA LYS 53 -2.659 -2.294 10.535 3 HB2 LYS 53 HB2 LYS 53 -2.017 -3.380 12.892 4 HB3 LYS 53 HB3 LYS 53 -2.338 -4.862 12.009 5 HG2 LYS 53 HG2 LYS 53 -0.499 -2.826 10.844 6 HG3 LYS 53 HG3 LYS 53 0.066 -3.889 12.131 7 HD2 LYS 53 HD2 LYS 53 -0.676 -5.832 10.750 8 HD3 LYS 53 HD3 LYS 53 -1.027 -4.697 9.446 9 HE2 LYS 53 HE2 LYS 53 1.303 -3.994 9.402 10 HE3 LYS 53 HE3 LYS 53 1.668 -5.059 10.755 11 HZ1 LYS 53 HZ1 LYS 53 1.011 -6.949 9.334 12 HZ2 LYS 53 HZ2 LYS 53 0.814 -5.882 8.032 13 HZ3 LYS 53 HZ3 LYS 53 2.340 -6.101 8.726 No H/Q in entry = 13 In of MODEL 4 1 H LYS 54 H LYS 54 -4.746 -4.960 11.601 2 HA LYS 54 HA LYS 54 -4.644 -6.530 9.308 3 HB2 LYS 54 HB2 LYS 54 -5.976 -7.813 10.522 4 HB3 LYS 54 HB3 LYS 54 -6.074 -6.530 11.716 5 HG2 LYS 54 HG2 LYS 54 -8.126 -5.815 10.977 6 HG3 LYS 54 HG3 LYS 54 -7.894 -6.478 9.354 7 HD2 LYS 54 HD2 LYS 54 -8.011 -8.747 10.322 8 HD3 LYS 54 HD3 LYS 54 -8.368 -8.024 11.893 9 HE2 LYS 54 HE2 LYS 54 -10.389 -8.800 10.690 10 HE3 LYS 54 HE3 LYS 54 -10.408 -7.078 11.057 11 HZ1 LYS 54 HZ1 LYS 54 -9.419 -7.986 8.434 12 HZ2 LYS 54 HZ2 LYS 54 -11.088 -7.897 8.722 13 HZ3 LYS 54 HZ3 LYS 54 -10.134 -6.509 8.869 No H/Q in entry = 13 In of MODEL 4 1 H GLU 55 H GLU 55 -6.862 -3.855 10.077 2 HA GLU 55 HA GLU 55 -8.356 -4.069 7.710 3 HB2 GLU 55 HB2 GLU 55 -7.945 -1.925 9.781 4 HB3 GLU 55 HB3 GLU 55 -8.981 -1.648 8.403 5 HG2 GLU 55 HG2 GLU 55 -9.310 -3.821 10.451 6 HG3 GLU 55 HG3 GLU 55 -10.234 -2.330 10.365 No H/Q in entry = 6 In of MODEL 4 1 H ALA 56 H ALA 56 -5.655 -1.915 8.638 2 HA ALA 56 HA ALA 56 -5.575 -0.576 6.198 3 HB1 ALA 56 HB1 ALA 56 -3.287 0.056 6.764 4 HB2 ALA 56 HB2 ALA 56 -3.243 -1.187 8.015 5 HB3 ALA 56 HB3 ALA 56 -4.338 0.187 8.174 No H/Q in entry = 5 In of MODEL 4 1 H THR 57 H THR 57 -3.806 -3.464 7.270 2 HA THR 57 HA THR 57 -2.274 -3.914 5.021 3 HB THR 57 HB THR 57 -3.570 -6.018 6.765 4 HG1 THR 57 HG1 THR 57 -2.360 -4.757 8.092 5 HG21 THR 57 HG21 THR 57 -1.155 -6.118 4.960 6 HG22 THR 57 HG22 THR 57 -1.618 -7.386 6.096 7 HG23 THR 57 HG23 THR 57 -2.673 -6.984 4.742 No H/Q in entry = 7 In of MODEL 4 1 H GLU 58 H GLU 58 -5.563 -5.013 5.706 2 HA GLU 58 HA GLU 58 -5.950 -6.392 3.247 3 HB2 GLU 58 HB2 GLU 58 -7.795 -5.391 5.397 4 HB3 GLU 58 HB3 GLU 58 -8.410 -6.156 3.932 5 HG2 GLU 58 HG2 GLU 58 -7.094 -8.153 4.426 6 HG3 GLU 58 HG3 GLU 58 -6.475 -7.383 5.885 No H/Q in entry = 6 In of MODEL 4 1 H HIS 59 H HIS 59 -6.205 -3.018 4.122 2 HA HIS 59 HA HIS 59 -7.729 -2.324 1.776 3 HB2 HIS 59 HB2 HIS 59 -6.269 -0.728 3.859 4 HB3 HIS 59 HB3 HIS 59 -6.805 0.042 2.371 5 HD1 HIS 59 HD1 HIS 59 -9.562 -0.721 1.930 6 HD2 HIS 59 HD2 HIS 59 -8.081 -0.280 5.789 7 HE1 HIS 59 HE1 HIS 59 -11.575 -0.347 3.388 8 HE2 HIS 59 HE2 HIS 59 -10.666 -0.282 5.733 No H/Q in entry = 8 In of MODEL 4 1 H LEU 60 H LEU 60 -4.341 -1.908 2.792 2 HA LEU 60 HA LEU 60 -3.271 -1.167 0.384 3 HB2 LEU 60 HB2 LEU 60 -2.212 -2.660 2.744 4 HB3 LEU 60 HB3 LEU 60 -1.208 -2.438 1.320 5 HG LEU 60 HG LEU 60 -1.664 0.005 1.523 6 HD11 LEU 60 HD11 LEU 60 -3.626 -0.085 2.870 7 HD12 LEU 60 HD12 LEU 60 -2.677 -0.709 4.225 8 HD13 LEU 60 HD13 LEU 60 -2.378 0.921 3.612 9 HD21 LEU 60 HD21 LEU 60 0.465 -0.945 2.201 10 HD22 LEU 60 HD22 LEU 60 0.001 0.366 3.286 11 HD23 LEU 60 HD23 LEU 60 -0.201 -1.311 3.794 No H/Q in entry = 11 In of MODEL 4 1 H LYS 61 H LYS 61 -4.217 -4.398 1.503 2 HA LYS 61 HA LYS 61 -3.008 -5.861 -0.567 3 HB2 LYS 61 HB2 LYS 61 -5.396 -6.372 1.185 4 HB3 LYS 61 HB3 LYS 61 -4.994 -7.473 -0.124 5 HG2 LYS 61 HG2 LYS 61 -2.770 -7.808 0.868 6 HG3 LYS 61 HG3 LYS 61 -3.229 -6.752 2.205 7 HD2 LYS 61 HD2 LYS 61 -5.012 -8.279 2.829 8 HD3 LYS 61 HD3 LYS 61 -4.637 -9.310 1.445 9 HE2 LYS 61 HE2 LYS 61 -2.405 -9.726 2.380 10 HE3 LYS 61 HE3 LYS 61 -2.806 -8.723 3.770 11 HZ1 LYS 61 HZ1 LYS 61 -4.204 -11.223 2.994 12 HZ2 LYS 61 HZ2 LYS 61 -3.076 -11.075 4.249 13 HZ3 LYS 61 HZ3 LYS 61 -4.559 -10.268 4.344 No H/Q in entry = 13 In of MODEL 4 1 H GLY 62 H GLY 62 -6.380 -4.711 -0.272 2 HA2 GLY 62 HA2 GLY 62 -7.835 -3.952 -1.881 3 HA3 GLY 62 HA3 GLY 62 -7.215 -5.273 -2.861 No H/Q in entry = 3 In of MODEL 4 1 H GLY 63 H GLY 63 -5.488 -2.432 -1.637 2 HA2 GLY 63 HA2 GLY 63 -4.132 -0.936 -2.718 3 HA3 GLY 63 HA3 GLY 63 -5.368 -0.923 -3.967 No H/Q in entry = 3 In of MODEL 4 1 H CYS 64 H CYS 64 -2.994 -3.321 -2.843 2 HA CYS 64 HA CYS 64 -1.455 -3.193 -5.231 3 HB2 CYS 64 HB2 CYS 64 -0.497 -3.924 -3.099 4 HB3 CYS 64 HB3 CYS 64 -1.561 -5.327 -3.091 No H/Q in entry = 4 In of MODEL 4 1 H ARG 65 H ARG 65 -4.212 -5.048 -4.199 2 HA ARG 65 HA ARG 65 -4.121 -7.024 -6.213 3 HB2 ARG 65 HB2 ARG 65 -5.489 -7.204 -4.142 4 HB3 ARG 65 HB3 ARG 65 -6.555 -5.956 -4.770 5 HG2 ARG 65 HG2 ARG 65 -7.549 -8.118 -5.128 6 HG3 ARG 65 HG3 ARG 65 -7.096 -7.416 -6.682 7 HD2 ARG 65 HD2 ARG 65 -4.963 -8.765 -6.528 8 HD3 ARG 65 HD3 ARG 65 -5.690 -9.597 -5.154 9 HE ARG 65 HE ARG 65 -7.470 -9.679 -7.327 10 HH11 ARG 65 HH11 ARG 65 -4.444 -11.083 -6.246 11 HH12 ARG 65 HH12 ARG 65 -4.597 -12.490 -7.247 12 HH21 ARG 65 HH21 ARG 65 -7.673 -11.536 -8.646 13 HH22 ARG 65 HH22 ARG 65 -6.426 -12.747 -8.622 No H/Q in entry = 13 In of MODEL 4 1 H GLU 66 H GLU 66 -4.928 -3.693 -6.309 2 HA GLU 66 HA GLU 66 -6.262 -4.012 -8.873 3 HB2 GLU 66 HB2 GLU 66 -5.668 -1.594 -7.176 4 HB3 GLU 66 HB3 GLU 66 -6.294 -1.466 -8.817 5 HG2 GLU 66 HG2 GLU 66 -7.617 -2.847 -6.494 6 HG3 GLU 66 HG3 GLU 66 -8.102 -1.320 -7.232 No H/Q in entry = 6 In of MODEL 4 1 H ILE 67 H ILE 67 -3.230 -2.831 -7.520 2 HA ILE 67 HA ILE 67 -2.176 -1.972 -10.024 3 HB ILE 67 HB ILE 67 -0.771 -2.605 -7.430 4 HG12 ILE 67 HG12 ILE 67 -1.476 0.032 -8.737 5 HG13 ILE 67 HG13 ILE 67 -2.316 -0.684 -7.368 6 HG21 ILE 67 HG21 ILE 67 0.743 -2.906 -9.364 7 HG22 ILE 67 HG22 ILE 67 0.364 -1.261 -9.887 8 HG23 ILE 67 HG23 ILE 67 1.202 -1.526 -8.357 9 HD11 ILE 67 HD11 ILE 67 0.552 0.216 -7.400 10 HD12 ILE 67 HD12 ILE 67 -0.801 1.072 -6.662 11 HD13 ILE 67 HD13 ILE 67 -0.296 -0.492 -6.025 No H/Q in entry = 11 In of MODEL 4 1 H LEU 68 H LEU 68 -1.060 -4.595 -7.910 2 HA LEU 68 HA LEU 68 0.732 -5.612 -9.818 3 HB2 LEU 68 HB2 LEU 68 0.782 -5.895 -7.296 4 HB3 LEU 68 HB3 LEU 68 -0.446 -7.130 -7.495 5 HG LEU 68 HG LEU 68 1.192 -8.331 -9.022 6 HD11 LEU 68 HD11 LEU 68 3.097 -6.355 -7.770 7 HD12 LEU 68 HD12 LEU 68 3.556 -7.766 -8.719 8 HD13 LEU 68 HD13 LEU 68 2.667 -6.447 -9.476 9 HD21 LEU 68 HD21 LEU 68 1.931 -7.940 -6.123 10 HD22 LEU 68 HD22 LEU 68 0.723 -9.062 -6.745 11 HD23 LEU 68 HD23 LEU 68 2.425 -9.291 -7.141 No H/Q in entry = 11 In of MODEL 4 1 H LYS 69 H LYS 69 -2.511 -6.622 -8.815 2 HA LYS 69 HA LYS 69 -2.697 -9.009 -10.187 3 HB2 LYS 69 HB2 LYS 69 -4.484 -8.381 -8.755 4 HB3 LYS 69 HB3 LYS 69 -4.713 -6.852 -9.581 5 HG2 LYS 69 HG2 LYS 69 -5.356 -8.350 -11.601 6 HG3 LYS 69 HG3 LYS 69 -5.608 -9.585 -10.371 7 HD2 LYS 69 HD2 LYS 69 -7.716 -8.547 -10.696 8 HD3 LYS 69 HD3 LYS 69 -7.086 -7.907 -9.174 9 HE2 LYS 69 HE2 LYS 69 -6.283 -5.908 -10.388 10 HE3 LYS 69 HE3 LYS 69 -6.997 -6.543 -11.866 11 HZ1 LYS 69 HZ1 LYS 69 -9.163 -6.535 -10.592 12 HZ2 LYS 69 HZ2 LYS 69 -8.385 -5.587 -9.426 13 HZ3 LYS 69 HZ3 LYS 69 -8.539 -5.026 -11.016 No H/Q in entry = 13 In of MODEL 4 1 H HIS 70 H HIS 70 -4.630 -6.403 -11.608 2 HA HIS 70 HA HIS 70 -4.382 -6.543 -14.167 3 HB2 HIS 70 HB2 HIS 70 -5.414 -4.600 -13.644 4 HB3 HIS 70 HB3 HIS 70 -4.319 -4.254 -12.317 5 HD1 HIS 70 HD1 HIS 70 -5.160 -3.209 -15.708 6 HD2 HIS 70 HD2 HIS 70 -1.806 -2.977 -13.239 7 HE1 HIS 70 HE1 HIS 70 -3.702 -1.420 -16.696 8 HE2 HIS 70 HE2 HIS 70 -1.766 -1.198 -15.111 No H/Q in entry = 8 In of MODEL 4 1 H VAL 71 H VAL 71 -1.492 -5.696 -12.261 2 HA VAL 71 HA VAL 71 -0.093 -4.707 -14.521 3 HB VAL 71 HB VAL 71 0.232 -4.416 -11.867 4 HG11 VAL 71 HG11 VAL 71 1.315 -6.590 -11.594 5 HG12 VAL 71 HG12 VAL 71 2.584 -6.064 -12.700 6 HG13 VAL 71 HG13 VAL 71 2.344 -5.217 -11.168 7 HG21 VAL 71 HG21 VAL 71 2.178 -3.941 -14.070 8 HG22 VAL 71 HG22 VAL 71 0.931 -2.853 -13.456 9 HG23 VAL 71 HG23 VAL 71 2.324 -3.269 -12.451 No H/Q in entry = 9 In of MODEL 4 1 H VAL 72 H VAL 72 0.169 -7.860 -12.799 2 HA VAL 72 HA VAL 72 1.595 -8.975 -15.052 3 HB VAL 72 HB VAL 72 1.657 -9.993 -12.712 4 HG11 VAL 72 HG11 VAL 72 -1.091 -10.887 -13.489 5 HG12 VAL 72 HG12 VAL 72 -0.130 -11.665 -12.233 6 HG13 VAL 72 HG13 VAL 72 -0.608 -9.976 -12.061 7 HG21 VAL 72 HG21 VAL 72 2.429 -11.055 -14.827 8 HG22 VAL 72 HG22 VAL 72 2.009 -12.162 -13.524 9 HG23 VAL 72 HG23 VAL 72 0.892 -11.913 -14.869 No H/Q in entry = 9 In of MODEL 4 1 H GLY 73 H GLY 73 -1.716 -8.423 -14.146 2 HA2 GLY 73 HA2 GLY 73 -2.514 -9.588 -16.744 3 HA3 GLY 73 HA3 GLY 73 -3.198 -8.106 -16.092 No H/Q in entry = 3 In of MODEL 4 1 H GLU 74 H GLU 74 -5.291 -9.009 -16.274 2 HA GLU 74 HA GLU 74 -6.285 -10.182 -13.942 3 HB2 GLU 74 HB2 GLU 74 -7.730 -8.926 -15.433 4 HB3 GLU 74 HB3 GLU 74 -7.495 -10.109 -16.712 5 HG2 GLU 74 HG2 GLU 74 -8.599 -11.805 -15.332 6 HG3 GLU 74 HG3 GLU 74 -8.858 -10.598 -14.074 No H/Q in entry = 6 In of MODEL 4 1 H GLU 75 H GLU 75 -5.483 -11.602 -17.073 2 HA GLU 75 HA GLU 75 -6.121 -14.235 -16.866 3 HB2 GLU 75 HB2 GLU 75 -4.937 -13.342 -18.773 4 HB3 GLU 75 HB3 GLU 75 -3.509 -13.039 -17.795 5 HG2 GLU 75 HG2 GLU 75 -3.068 -15.351 -17.560 6 HG3 GLU 75 HG3 GLU 75 -4.642 -15.785 -18.228 No H/Q in entry = 6 In of MODEL 4 1 H LYS 76 H LYS 76 -3.017 -12.987 -15.723 2 HA LYS 76 HA LYS 76 -2.280 -15.444 -14.544 3 HB2 LYS 76 HB2 LYS 76 -0.651 -13.889 -15.424 4 HB3 LYS 76 HB3 LYS 76 -1.136 -12.670 -14.262 5 HG2 LYS 76 HG2 LYS 76 0.981 -13.868 -13.749 6 HG3 LYS 76 HG3 LYS 76 -0.218 -13.873 -12.465 7 HD2 LYS 76 HD2 LYS 76 0.593 -16.078 -12.511 8 HD3 LYS 76 HD3 LYS 76 -0.932 -16.163 -13.384 9 HE2 LYS 76 HE2 LYS 76 1.760 -15.900 -14.703 10 HE3 LYS 76 HE3 LYS 76 0.952 -17.433 -14.418 11 HZ1 LYS 76 HZ1 LYS 76 -0.880 -16.664 -15.825 12 HZ2 LYS 76 HZ2 LYS 76 -0.040 -15.221 -16.132 13 HZ3 LYS 76 HZ3 LYS 76 0.591 -16.693 -16.662 No H/Q in entry = 13 In of MODEL 4 1 H ALA 77 H ALA 77 -3.455 -12.384 -13.184 2 HA ALA 77 HA ALA 77 -3.081 -13.170 -10.487 3 HB1 ALA 77 HB1 ALA 77 -3.215 -10.836 -11.168 4 HB2 ALA 77 HB2 ALA 77 -4.414 -11.218 -9.933 5 HB3 ALA 77 HB3 ALA 77 -4.904 -11.064 -11.621 No H/Q in entry = 5 In of MODEL 4 1 H ALA 78 H ALA 78 -5.599 -13.704 -12.809 2 HA ALA 78 HA ALA 78 -7.616 -14.537 -10.977 3 HB1 ALA 78 HB1 ALA 78 -7.184 -15.034 -13.921 4 HB2 ALA 78 HB2 ALA 78 -8.591 -15.629 -13.033 5 HB3 ALA 78 HB3 ALA 78 -8.298 -13.894 -13.167 No H/Q in entry = 5 In of MODEL 4 1 H GLU 79 H GLU 79 -4.958 -16.072 -12.667 2 HA GLU 79 HA GLU 79 -5.607 -18.754 -12.010 3 HB2 GLU 79 HB2 GLU 79 -2.851 -17.608 -12.487 4 HB3 GLU 79 HB3 GLU 79 -3.336 -19.289 -12.641 5 HG2 GLU 79 HG2 GLU 79 -4.850 -18.592 -14.487 6 HG3 GLU 79 HG3 GLU 79 -4.131 -16.989 -14.382 No H/Q in entry = 6 In of MODEL 4 1 H LEU 80 H LEU 80 -3.747 -16.227 -10.455 2 HA LEU 80 HA LEU 80 -2.827 -17.852 -8.298 3 HB2 LEU 80 HB2 LEU 80 -3.042 -14.849 -8.521 4 HB3 LEU 80 HB3 LEU 80 -2.075 -15.734 -7.351 5 HG LEU 80 HG LEU 80 -1.643 -15.951 -10.324 6 HD11 LEU 80 HD11 LEU 80 -0.340 -14.103 -8.346 7 HD12 LEU 80 HD12 LEU 80 0.296 -14.453 -9.954 8 HD13 LEU 80 HD13 LEU 80 -1.274 -13.669 -9.777 9 HD21 LEU 80 HD21 LEU 80 -0.789 -17.799 -8.991 10 HD22 LEU 80 HD22 LEU 80 0.529 -16.836 -9.662 11 HD23 LEU 80 HD23 LEU 80 0.086 -16.664 -7.963 No H/Q in entry = 11 In of MODEL 4 1 H LYS 81 H LYS 81 -5.600 -15.803 -8.899 2 HA LYS 81 HA LYS 81 -6.633 -15.731 -6.277 3 HB2 LYS 81 HB2 LYS 81 -7.510 -14.227 -7.944 4 HB3 LYS 81 HB3 LYS 81 -8.000 -15.567 -8.970 5 HG2 LYS 81 HG2 LYS 81 -9.945 -14.675 -7.918 6 HG3 LYS 81 HG3 LYS 81 -9.612 -16.253 -7.209 7 HD2 LYS 81 HD2 LYS 81 -10.153 -14.862 -5.391 8 HD3 LYS 81 HD3 LYS 81 -8.396 -14.993 -5.363 9 HE2 LYS 81 HE2 LYS 81 -9.119 -12.694 -4.970 10 HE3 LYS 81 HE3 LYS 81 -8.202 -12.830 -6.471 11 HZ1 LYS 81 HZ1 LYS 81 -11.169 -12.794 -6.327 12 HZ2 LYS 81 HZ2 LYS 81 -10.217 -11.437 -6.653 13 HZ3 LYS 81 HZ3 LYS 81 -10.221 -12.743 -7.728 No H/Q in entry = 13 In of MODEL 4 1 H ASN 82 H ASN 82 -7.411 -17.849 -9.037 2 HA ASN 82 HA ASN 82 -9.084 -19.572 -7.539 3 HB2 ASN 82 HB2 ASN 82 -8.984 -19.354 -10.094 4 HB3 ASN 82 HB3 ASN 82 -7.538 -20.349 -10.022 5 HD21 ASN 82 HD21 ASN 82 -7.709 -22.525 -9.519 6 HD22 ASN 82 HD22 ASN 82 -9.228 -23.355 -9.511 No H/Q in entry = 6 In of MODEL 4 1 H LEU 83 H LEU 83 -5.623 -19.521 -8.189 2 HA LEU 83 HA LEU 83 -5.002 -22.103 -7.304 3 HB2 LEU 83 HB2 LEU 83 -3.611 -19.691 -7.990 4 HB3 LEU 83 HB3 LEU 83 -2.934 -20.351 -6.521 5 HG LEU 83 HG LEU 83 -3.269 -21.946 -9.058 6 HD11 LEU 83 HD11 LEU 83 -0.849 -20.471 -8.033 7 HD12 LEU 83 HD12 LEU 83 -0.851 -21.616 -9.374 8 HD13 LEU 83 HD13 LEU 83 -1.760 -20.108 -9.500 9 HD21 LEU 83 HD21 LEU 83 -3.123 -23.262 -6.995 10 HD22 LEU 83 HD22 LEU 83 -1.695 -23.474 -8.005 11 HD23 LEU 83 HD23 LEU 83 -1.619 -22.440 -6.580 No H/Q in entry = 11 In of MODEL 4 1 H LYS 84 H LYS 84 -5.308 -19.027 -5.611 2 HA LYS 84 HA LYS 84 -4.481 -19.802 -3.068 3 HB2 LYS 84 HB2 LYS 84 -4.894 -17.472 -3.748 4 HB3 LYS 84 HB3 LYS 84 -6.619 -17.803 -3.822 5 HG2 LYS 84 HG2 LYS 84 -6.667 -18.234 -1.438 6 HG3 LYS 84 HG3 LYS 84 -4.924 -17.979 -1.343 7 HD2 LYS 84 HD2 LYS 84 -5.258 -15.664 -2.147 8 HD3 LYS 84 HD3 LYS 84 -7.003 -15.938 -2.125 9 HE2 LYS 84 HE2 LYS 84 -6.263 -14.773 -0.111 10 HE3 LYS 84 HE3 LYS 84 -6.914 -16.367 0.271 11 HZ1 LYS 84 HZ1 LYS 84 -4.647 -17.210 0.411 12 HZ2 LYS 84 HZ2 LYS 84 -4.036 -15.672 0.068 13 HZ3 LYS 84 HZ3 LYS 84 -4.891 -15.943 1.500 No H/Q in entry = 13 In of MODEL 4 1 H ASP 85 H ASP 85 -7.816 -19.669 -4.352 2 HA ASP 85 HA ASP 85 -8.938 -20.866 -2.029 3 HB2 ASP 85 HB2 ASP 85 -10.077 -20.407 -4.784 4 HB3 ASP 85 HB3 ASP 85 -11.010 -21.051 -3.436 No H/Q in entry = 4 In of MODEL 4 1 H SER 86 H SER 86 -7.523 -22.156 -4.896 2 HA SER 86 HA SER 86 -8.723 -24.761 -4.693 3 HB2 SER 86 HB2 SER 86 -7.878 -23.881 -6.848 4 HB3 SER 86 HB3 SER 86 -6.244 -23.859 -6.191 5 HG SER 86 HG SER 86 -7.825 -26.211 -6.354 No H/Q in entry = 5 In of MODEL 4 1 H GLY 87 H GLY 87 -6.218 -23.084 -3.141 2 HA2 GLY 87 HA2 GLY 87 -5.366 -25.601 -1.859 3 HA3 GLY 87 HA3 GLY 87 -5.598 -24.099 -0.980 No H/Q in entry = 3 In of MODEL 4 1 H ALA 88 H ALA 88 -4.313 -22.369 -2.880 2 HA ALA 88 HA ALA 88 -1.632 -23.364 -3.094 3 HB1 ALA 88 HB1 ALA 88 -2.700 -20.583 -3.564 4 HB2 ALA 88 HB2 ALA 88 -2.476 -21.832 -4.787 5 HB3 ALA 88 HB3 ALA 88 -1.078 -21.138 -3.965 No H/Q in entry = 5 In of MODEL 4 1 H SER 89 H SER 89 -0.215 -23.173 -1.546 2 HA SER 89 HA SER 89 -0.754 -22.008 0.979 3 HB2 SER 89 HB2 SER 89 1.567 -22.731 1.485 4 HB3 SER 89 HB3 SER 89 0.598 -24.023 0.796 5 HG SER 89 HG SER 89 2.272 -24.164 -0.494 No H/Q in entry = 5 In of MODEL 4 1 H LYS 90 H LYS 90 1.198 -20.644 1.952 2 HA LYS 90 HA LYS 90 1.245 -18.142 0.689 3 HB2 LYS 90 HB2 LYS 90 3.292 -19.221 2.640 4 HB3 LYS 90 HB3 LYS 90 2.955 -17.530 2.302 5 HG2 LYS 90 HG2 LYS 90 0.804 -17.679 3.318 6 HG3 LYS 90 HG3 LYS 90 0.940 -19.432 3.473 7 HD2 LYS 90 HD2 LYS 90 1.396 -18.567 5.615 8 HD3 LYS 90 HD3 LYS 90 2.964 -19.002 4.936 9 HE2 LYS 90 HE2 LYS 90 3.201 -16.881 5.994 10 HE3 LYS 90 HE3 LYS 90 3.236 -16.613 4.253 11 HZ1 LYS 90 HZ1 LYS 90 0.823 -16.259 5.944 12 HZ2 LYS 90 HZ2 LYS 90 1.852 -15.000 5.483 13 HZ3 LYS 90 HZ3 LYS 90 0.983 -15.856 4.313 No H/Q in entry = 13 In of MODEL 4 1 H GLU 91 H GLU 91 3.086 -21.003 0.196 2 HA GLU 91 HA GLU 91 5.317 -19.640 -1.026 3 HB2 GLU 91 HB2 GLU 91 4.750 -22.549 -0.551 4 HB3 GLU 91 HB3 GLU 91 6.203 -21.950 -1.343 5 HG2 GLU 91 HG2 GLU 91 5.316 -21.438 1.478 6 HG3 GLU 91 HG3 GLU 91 6.716 -22.343 0.928 No H/Q in entry = 6 In of MODEL 4 1 H GLU 92 H GLU 92 2.711 -21.808 -2.115 2 HA GLU 92 HA GLU 92 3.440 -22.029 -4.790 3 HB2 GLU 92 HB2 GLU 92 0.665 -21.957 -3.595 4 HB3 GLU 92 HB3 GLU 92 1.118 -22.648 -5.139 5 HG2 GLU 92 HG2 GLU 92 2.193 -23.623 -2.531 6 HG3 GLU 92 HG3 GLU 92 0.742 -24.261 -3.288 No H/Q in entry = 6 In of MODEL 4 1 H LEU 93 H LEU 93 1.451 -19.680 -3.054 2 HA LEU 93 HA LEU 93 1.151 -18.038 -5.372 3 HB2 LEU 93 HB2 LEU 93 0.841 -17.372 -2.444 4 HB3 LEU 93 HB3 LEU 93 0.480 -16.250 -3.749 5 HG LEU 93 HG LEU 93 -0.896 -18.874 -3.168 6 HD11 LEU 93 HD11 LEU 93 -1.873 -16.036 -3.226 7 HD12 LEU 93 HD12 LEU 93 -2.905 -17.459 -3.078 8 HD13 LEU 93 HD13 LEU 93 -1.725 -17.091 -1.816 9 HD21 LEU 93 HD21 LEU 93 -1.156 -17.081 -5.571 10 HD22 LEU 93 HD22 LEU 93 -0.655 -18.771 -5.541 11 HD23 LEU 93 HD23 LEU 93 -2.314 -18.337 -5.138 No H/Q in entry = 11 In of MODEL 4 1 H LYS 94 H LYS 94 3.614 -18.183 -2.772 2 HA LYS 94 HA LYS 94 4.680 -15.660 -3.491 3 HB2 LYS 94 HB2 LYS 94 5.064 -16.708 -1.299 4 HB3 LYS 94 HB3 LYS 94 6.023 -17.962 -2.063 5 HG2 LYS 94 HG2 LYS 94 7.603 -16.194 -2.824 6 HG3 LYS 94 HG3 LYS 94 6.681 -15.036 -1.860 7 HD2 LYS 94 HD2 LYS 94 7.981 -17.533 -0.785 8 HD3 LYS 94 HD3 LYS 94 8.666 -15.912 -0.676 9 HE2 LYS 94 HE2 LYS 94 6.888 -15.169 0.718 10 HE3 LYS 94 HE3 LYS 94 5.962 -16.640 0.425 11 HZ1 LYS 94 HZ1 LYS 94 8.604 -16.676 1.753 12 HZ2 LYS 94 HZ2 LYS 94 7.157 -16.494 2.611 13 HZ3 LYS 94 HZ3 LYS 94 7.433 -17.904 1.710 No H/Q in entry = 13 In of MODEL 4 1 H ALA 95 H ALA 95 5.497 -18.950 -4.337 2 HA ALA 95 HA ALA 95 7.790 -18.152 -5.816 3 HB1 ALA 95 HB1 ALA 95 6.350 -20.809 -5.692 4 HB2 ALA 95 HB2 ALA 95 7.724 -20.316 -4.699 5 HB3 ALA 95 HB3 ALA 95 7.932 -20.534 -6.434 No H/Q in entry = 5 In of MODEL 4 1 H LYS 96 H LYS 96 4.583 -19.472 -6.697 2 HA LYS 96 HA LYS 96 5.062 -19.429 -9.486 3 HB2 LYS 96 HB2 LYS 96 2.746 -19.791 -7.737 4 HB3 LYS 96 HB3 LYS 96 2.361 -19.105 -9.302 5 HG2 LYS 96 HG2 LYS 96 2.207 -21.580 -9.199 6 HG3 LYS 96 HG3 LYS 96 3.304 -20.973 -10.441 7 HD2 LYS 96 HD2 LYS 96 5.201 -21.376 -8.927 8 HD3 LYS 96 HD3 LYS 96 4.087 -22.028 -7.729 9 HE2 LYS 96 HE2 LYS 96 4.520 -23.126 -10.503 10 HE3 LYS 96 HE3 LYS 96 5.212 -23.784 -9.021 11 HZ1 LYS 96 HZ1 LYS 96 2.960 -24.202 -8.218 12 HZ2 LYS 96 HZ2 LYS 96 2.319 -23.604 -9.665 13 HZ3 LYS 96 HZ3 LYS 96 3.254 -25.013 -9.670 No H/Q in entry = 13 In of MODEL 4 1 H VAL 97 H VAL 97 4.319 -16.896 -7.306 2 HA VAL 97 HA VAL 97 3.265 -15.031 -9.211 3 HB VAL 97 HB VAL 97 4.288 -14.767 -6.393 4 HG11 VAL 97 HG11 VAL 97 3.418 -12.507 -8.182 5 HG12 VAL 97 HG12 VAL 97 3.714 -12.391 -6.448 6 HG13 VAL 97 HG13 VAL 97 5.041 -12.769 -7.545 7 HG21 VAL 97 HG21 VAL 97 2.034 -15.648 -6.783 8 HG22 VAL 97 HG22 VAL 97 2.017 -14.105 -5.924 9 HG23 VAL 97 HG23 VAL 97 1.615 -14.160 -7.643 No H/Q in entry = 9 In of MODEL 4 1 H GLU 98 H GLU 98 6.456 -15.849 -7.955 2 HA GLU 98 HA GLU 98 7.794 -13.591 -9.033 3 HB2 GLU 98 HB2 GLU 98 8.893 -16.305 -8.282 4 HB3 GLU 98 HB3 GLU 98 9.866 -14.882 -8.641 5 HG2 GLU 98 HG2 GLU 98 8.712 -13.722 -6.753 6 HG3 GLU 98 HG3 GLU 98 7.962 -15.263 -6.346 No H/Q in entry = 6 In of MODEL 4 1 H GLU 99 H GLU 99 6.772 -16.619 -10.371 2 HA GLU 99 HA GLU 99 8.326 -16.291 -12.800 3 HB2 GLU 99 HB2 GLU 99 5.956 -18.106 -12.297 4 HB3 GLU 99 HB3 GLU 99 7.100 -18.220 -13.626 5 HG2 GLU 99 HG2 GLU 99 7.679 -18.695 -10.713 6 HG3 GLU 99 HG3 GLU 99 7.561 -19.914 -11.979 No H/Q in entry = 6 In of MODEL 4 1 H ALA 100 H ALA 100 5.105 -15.677 -11.616 2 HA ALA 100 HA ALA 100 3.859 -14.876 -13.995 3 HB1 ALA 100 HB1 ALA 100 3.404 -14.029 -11.135 4 HB2 ALA 100 HB2 ALA 100 2.611 -15.356 -11.982 5 HB3 ALA 100 HB3 ALA 100 2.304 -13.689 -12.465 No H/Q in entry = 5 In of MODEL 4 1 H LEU 101 H LEU 101 5.302 -12.896 -11.421 2 HA LEU 101 HA LEU 101 5.152 -10.473 -12.888 3 HB2 LEU 101 HB2 LEU 101 6.836 -11.157 -10.479 4 HB3 LEU 101 HB3 LEU 101 6.509 -9.540 -11.073 5 HG LEU 101 HG LEU 101 4.491 -11.454 -9.909 6 HD11 LEU 101 HD11 LEU 101 5.969 -10.460 -8.258 7 HD12 LEU 101 HD12 LEU 101 5.606 -8.852 -8.885 8 HD13 LEU 101 HD13 LEU 101 4.338 -9.809 -8.118 9 HD21 LEU 101 HD21 LEU 101 4.126 -8.654 -10.966 10 HD22 LEU 101 HD22 LEU 101 3.488 -10.131 -11.689 11 HD23 LEU 101 HD23 LEU 101 2.904 -9.597 -10.111 No H/Q in entry = 11 In of MODEL 4 1 H HIS 102 H HIS 102 7.221 -13.090 -13.176 2 HA HIS 102 HA HIS 102 9.430 -11.529 -14.183 3 HB2 HIS 102 HB2 HIS 102 9.575 -13.867 -13.097 4 HB3 HIS 102 HB3 HIS 102 9.023 -14.474 -14.652 5 HD1 HIS 102 HD1 HIS 102 10.677 -14.195 -16.679 6 HD2 HIS 102 HD2 HIS 102 12.203 -13.116 -12.965 7 HE1 HIS 102 HE1 HIS 102 13.164 -14.007 -17.001 8 HE2 HIS 102 HE2 HIS 102 14.068 -13.300 -14.755 No H/Q in entry = 8 In of MODEL 4 1 H ALA 103 H ALA 103 6.798 -13.545 -15.389 2 HA ALA 103 HA ALA 103 7.622 -13.600 -18.066 3 HB1 ALA 103 HB1 ALA 103 4.903 -14.119 -16.879 4 HB2 ALA 103 HB2 ALA 103 6.211 -15.292 -17.016 5 HB3 ALA 103 HB3 ALA 103 5.456 -14.641 -18.473 No H/Q in entry = 5 In of MODEL 4 1 H VAL 104 H VAL 104 6.271 -11.000 -16.399 2 HA VAL 104 HA VAL 104 4.409 -10.139 -18.331 3 HB VAL 104 HB VAL 104 3.915 -9.384 -16.235 4 HG11 VAL 104 HG11 VAL 104 6.786 -8.620 -15.883 5 HG12 VAL 104 HG12 VAL 104 5.510 -8.301 -14.716 6 HG13 VAL 104 HG13 VAL 104 5.931 -9.961 -15.127 7 HG21 VAL 104 HG21 VAL 104 3.812 -7.518 -17.849 8 HG22 VAL 104 HG22 VAL 104 4.088 -6.980 -16.191 9 HG23 VAL 104 HG23 VAL 104 5.424 -7.036 -17.337 No H/Q in entry = 9 In of MODEL 4 1 H THR 105 H THR 105 7.346 -8.412 -17.326 2 HA THR 105 HA THR 105 9.074 -7.508 -18.438 3 HB THR 105 HB THR 105 9.820 -8.327 -20.547 4 HG1 THR 105 HG1 THR 105 7.126 -9.054 -20.897 5 HG21 THR 105 HG21 THR 105 10.051 -9.862 -18.669 6 HG22 THR 105 HG22 THR 105 8.469 -10.555 -19.028 7 HG23 THR 105 HG23 THR 105 9.797 -10.745 -20.175 No H/Q in entry = 7 In of MODEL 4 1 H ASP 106 H ASP 106 5.998 -6.644 -19.015 2 HA ASP 106 HA ASP 106 6.616 -4.592 -20.932 3 HB2 ASP 106 HB2 ASP 106 4.320 -5.518 -20.699 4 HB3 ASP 106 HB3 ASP 106 4.235 -4.843 -19.076 No H/Q in entry = 4 In of MODEL 4 1 H GLU 107 H GLU 107 7.244 -2.551 -20.518 2 HA GLU 107 HA GLU 107 8.969 -2.368 -18.352 3 HB2 GLU 107 HB2 GLU 107 7.991 -0.143 -20.136 4 HB3 GLU 107 HB3 GLU 107 9.405 -0.073 -19.098 5 HG2 GLU 107 HG2 GLU 107 10.375 -1.958 -20.377 6 HG3 GLU 107 HG3 GLU 107 8.996 -1.870 -21.472 No H/Q in entry = 6 In of MODEL 4 1 H GLU 108 H GLU 108 6.038 -0.421 -18.913 2 HA GLU 108 HA GLU 108 6.141 1.030 -16.531 3 HB2 GLU 108 HB2 GLU 108 3.776 0.222 -18.233 4 HB3 GLU 108 HB3 GLU 108 3.661 1.338 -16.885 5 HG2 GLU 108 HG2 GLU 108 3.755 2.563 -18.948 6 HG3 GLU 108 HG3 GLU 108 5.227 2.851 -18.025 No H/Q in entry = 6 In of MODEL 4 1 H LYS 109 H LYS 109 4.677 -2.074 -17.282 2 HA LYS 109 HA LYS 109 3.332 -2.519 -14.870 3 HB2 LYS 109 HB2 LYS 109 4.396 -4.276 -17.033 4 HB3 LYS 109 HB3 LYS 109 3.796 -5.004 -15.551 5 HG2 LYS 109 HG2 LYS 109 2.186 -4.803 -17.501 6 HG3 LYS 109 HG3 LYS 109 1.615 -4.268 -15.929 7 HD2 LYS 109 HD2 LYS 109 1.847 -1.992 -16.518 8 HD3 LYS 109 HD3 LYS 109 2.790 -2.386 -17.959 9 HE2 LYS 109 HE2 LYS 109 -0.086 -3.182 -17.548 10 HE3 LYS 109 HE3 LYS 109 0.420 -1.728 -18.406 11 HZ1 LYS 109 HZ1 LYS 109 1.680 -3.175 -19.934 12 HZ2 LYS 109 HZ2 LYS 109 1.039 -4.533 -19.156 13 HZ3 LYS 109 HZ3 LYS 109 0.010 -3.471 -19.977 No H/Q in entry = 13 In of MODEL 4 1 H LYS 110 H LYS 110 6.631 -3.364 -15.878 2 HA LYS 110 HA LYS 110 7.244 -4.638 -13.394 3 HB2 LYS 110 HB2 LYS 110 9.104 -3.662 -15.556 4 HB3 LYS 110 HB3 LYS 110 9.567 -4.686 -14.209 5 HG2 LYS 110 HG2 LYS 110 7.798 -6.309 -15.117 6 HG3 LYS 110 HG3 LYS 110 7.892 -5.342 -16.590 7 HD2 LYS 110 HD2 LYS 110 10.262 -6.626 -15.237 8 HD3 LYS 110 HD3 LYS 110 9.383 -7.346 -16.581 9 HE2 LYS 110 HE2 LYS 110 11.174 -6.324 -17.636 10 HE3 LYS 110 HE3 LYS 110 9.901 -5.118 -17.800 11 HZ1 LYS 110 HZ1 LYS 110 12.054 -5.098 -15.750 12 HZ2 LYS 110 HZ2 LYS 110 11.998 -4.123 -17.129 13 HZ3 LYS 110 HZ3 LYS 110 10.843 -3.928 -15.912 No H/Q in entry = 13 In of MODEL 4 1 H GLN 111 H GLN 111 7.190 -1.409 -14.445 2 HA GLN 111 HA GLN 111 8.952 -0.285 -12.529 3 HB2 GLN 111 HB2 GLN 111 6.486 0.806 -13.881 4 HB3 GLN 111 HB3 GLN 111 7.427 1.755 -12.744 5 HG2 GLN 111 HG2 GLN 111 8.407 0.581 -15.336 6 HG3 GLN 111 HG3 GLN 111 8.037 2.274 -15.029 7 HE21 GLN 111 HE21 GLN 111 9.235 2.281 -12.367 8 HE22 GLN 111 HE22 GLN 111 10.942 2.229 -12.609 No H/Q in entry = 8 In of MODEL 4 1 H TYR 112 H TYR 112 5.577 -1.287 -12.413 2 HA TYR 112 HA TYR 112 5.210 -0.441 -9.677 3 HB2 TYR 112 HB2 TYR 112 3.590 -2.344 -11.376 4 HB3 TYR 112 HB3 TYR 112 3.109 -1.745 -9.797 5 HD1 TYR 112 HD1 TYR 112 3.393 1.021 -9.745 6 HD2 TYR 112 HD2 TYR 112 2.453 -1.398 -13.108 7 HE1 TYR 112 HE1 TYR 112 2.309 2.950 -10.819 8 HE2 TYR 112 HE2 TYR 112 1.358 0.512 -14.191 9 HH TYR 112 HH TYR 112 1.685 3.725 -13.009 No H/Q in entry = 9 In of MODEL 4 1 H ILE 113 H ILE 113 6.284 -3.308 -11.361 2 HA ILE 113 HA ILE 113 6.134 -5.057 -9.157 3 HB ILE 113 HB ILE 113 7.876 -5.153 -11.611 4 HG12 ILE 113 HG12 ILE 113 5.335 -6.593 -10.821 5 HG13 ILE 113 HG13 ILE 113 5.451 -5.280 -11.987 6 HG21 ILE 113 HG21 ILE 113 7.432 -7.269 -9.506 7 HG22 ILE 113 HG22 ILE 113 8.237 -7.528 -11.052 8 HG23 ILE 113 HG23 ILE 113 8.949 -6.442 -9.858 9 HD11 ILE 113 HD11 ILE 113 6.795 -7.947 -12.274 10 HD12 ILE 113 HD12 ILE 113 5.261 -7.496 -13.018 11 HD13 ILE 113 HD13 ILE 113 6.738 -6.651 -13.465 No H/Q in entry = 11 In of MODEL 4 1 H ALA 114 H ALA 114 8.734 -2.952 -10.363 2 HA ALA 114 HA ALA 114 10.601 -3.604 -8.286 3 HB1 ALA 114 HB1 ALA 114 11.343 -2.686 -10.420 4 HB2 ALA 114 HB2 ALA 114 11.833 -1.642 -9.086 5 HB3 ALA 114 HB3 ALA 114 10.461 -1.194 -10.099 No H/Q in entry = 5 In of MODEL 4 1 H ASP 115 H ASP 115 8.216 -1.046 -8.783 2 HA ASP 115 HA ASP 115 8.988 0.355 -6.412 3 HB2 ASP 115 HB2 ASP 115 6.848 0.694 -8.445 4 HB3 ASP 115 HB3 ASP 115 6.601 1.453 -6.874 No H/Q in entry = 4 In of MODEL 4 1 H PHE 116 H PHE 116 6.134 -1.596 -7.210 2 HA PHE 116 HA PHE 116 5.310 -1.287 -4.423 3 HB2 PHE 116 HB2 PHE 116 3.868 -1.096 -6.815 4 HB3 PHE 116 HB3 PHE 116 3.386 -2.647 -6.138 5 HD1 PHE 116 HD1 PHE 116 2.295 -2.769 -3.972 6 HD2 PHE 116 HD2 PHE 116 3.217 0.957 -5.804 7 HE1 PHE 116 HE1 PHE 116 0.726 -1.626 -2.442 8 HE2 PHE 116 HE2 PHE 116 1.661 2.106 -4.285 9 HZ PHE 116 HZ PHE 116 0.403 0.836 -2.626 No H/Q in entry = 9 In of MODEL 4 1 H GLY 117 H GLY 117 6.504 -3.612 -6.638 2 HA2 GLY 117 HA2 GLY 117 7.003 -5.848 -6.399 3 HA3 GLY 117 HA3 GLY 117 5.354 -5.989 -5.820 No H/Q in entry = 3 In of MODEL 4 1 HA PRO 118 HA PRO 118 8.882 -6.884 -2.564 2 HB2 PRO 118 HB2 PRO 118 9.791 -4.095 -2.065 3 HB3 PRO 118 HB3 PRO 118 10.726 -5.594 -2.100 4 HG2 PRO 118 HG2 PRO 118 10.862 -3.897 -4.130 5 HG3 PRO 118 HG3 PRO 118 10.810 -5.645 -4.423 6 HD2 PRO 118 HD2 PRO 118 8.642 -3.605 -4.715 7 HD3 PRO 118 HD3 PRO 118 9.011 -5.014 -5.730 No H/Q in entry = 7 In of MODEL 4 1 H ALA 119 H ALA 119 7.548 -3.607 -2.133 2 HA ALA 119 HA ALA 119 6.964 -3.902 0.632 3 HB1 ALA 119 HB1 ALA 119 5.697 -1.845 0.372 4 HB2 ALA 119 HB2 ALA 119 5.778 -1.997 -1.383 5 HB3 ALA 119 HB3 ALA 119 7.253 -1.727 -0.451 No H/Q in entry = 5 In of MODEL 4 1 H CYS 120 H CYS 120 5.134 -4.497 -2.296 2 HA CYS 120 HA CYS 120 2.626 -5.045 -1.161 3 HB2 CYS 120 HB2 CYS 120 2.934 -4.802 -3.570 4 HB3 CYS 120 HB3 CYS 120 3.934 -6.250 -3.609 No H/Q in entry = 4 In of MODEL 4 1 H LYS 121 H LYS 121 5.566 -6.927 -1.329 2 HA LYS 121 HA LYS 121 4.469 -9.445 -0.758 3 HB2 LYS 121 HB2 LYS 121 7.146 -8.248 -0.703 4 HB3 LYS 121 HB3 LYS 121 6.929 -9.593 0.402 5 HG2 LYS 121 HG2 LYS 121 7.800 -10.223 -1.843 6 HG3 LYS 121 HG3 LYS 121 6.322 -11.063 -1.367 7 HD2 LYS 121 HD2 LYS 121 5.008 -9.508 -2.721 8 HD3 LYS 121 HD3 LYS 121 6.485 -8.671 -3.200 9 HE2 LYS 121 HE2 LYS 121 5.789 -11.544 -3.774 10 HE3 LYS 121 HE3 LYS 121 5.742 -10.218 -4.932 11 HZ1 LYS 121 HZ1 LYS 121 8.133 -9.945 -4.655 12 HZ2 LYS 121 HZ2 LYS 121 8.173 -11.228 -3.557 13 HZ3 LYS 121 HZ3 LYS 121 7.762 -11.511 -5.168 No H/Q in entry = 13 In of MODEL 4 1 H LYS 122 H LYS 122 5.699 -6.954 1.516 2 HA LYS 122 HA LYS 122 4.891 -8.467 3.801 3 HB2 LYS 122 HB2 LYS 122 5.314 -6.522 5.120 4 HB3 LYS 122 HB3 LYS 122 6.580 -6.643 3.913 5 HG2 LYS 122 HG2 LYS 122 5.393 -4.925 2.574 6 HG3 LYS 122 HG3 LYS 122 4.251 -4.743 3.910 7 HD2 LYS 122 HD2 LYS 122 7.236 -4.313 4.063 8 HD3 LYS 122 HD3 LYS 122 6.013 -3.044 4.009 9 HE2 LYS 122 HE2 LYS 122 5.157 -3.659 6.133 10 HE3 LYS 122 HE3 LYS 122 6.083 -5.157 6.150 11 HZ1 LYS 122 HZ1 LYS 122 7.282 -2.450 6.204 12 HZ2 LYS 122 HZ2 LYS 122 7.022 -3.410 7.570 13 HZ3 LYS 122 HZ3 LYS 122 8.099 -3.920 6.369 No H/Q in entry = 13 In of MODEL 4 1 H ILE 123 H ILE 123 3.298 -6.250 1.632 2 HA ILE 123 HA ILE 123 1.030 -5.712 3.193 3 HB ILE 123 HB ILE 123 1.374 -5.744 0.213 4 HG12 ILE 123 HG12 ILE 123 1.206 -3.530 2.267 5 HG13 ILE 123 HG13 ILE 123 2.669 -4.067 1.447 6 HG21 ILE 123 HG21 ILE 123 -0.978 -4.800 1.843 7 HG22 ILE 123 HG22 ILE 123 -0.751 -4.500 0.120 8 HG23 ILE 123 HG23 ILE 123 -0.965 -6.148 0.709 9 HD11 ILE 123 HD11 ILE 123 0.278 -2.863 0.101 10 HD12 ILE 123 HD12 ILE 123 1.754 -1.999 0.519 11 HD13 ILE 123 HD13 ILE 123 1.802 -3.307 -0.664 No H/Q in entry = 11 In of MODEL 4 1 H TYR 124 H TYR 124 1.619 -8.050 0.720 2 HA TYR 124 HA TYR 124 -0.700 -9.683 1.135 3 HB2 TYR 124 HB2 TYR 124 1.734 -9.788 -0.602 4 HB3 TYR 124 HB3 TYR 124 0.793 -11.258 -0.366 5 HD1 TYR 124 HD1 TYR 124 -0.659 -7.881 -0.481 6 HD2 TYR 124 HD2 TYR 124 0.031 -11.479 -2.638 7 HE1 TYR 124 HE1 TYR 124 -2.213 -7.126 -2.226 8 HE2 TYR 124 HE2 TYR 124 -1.521 -10.733 -4.391 9 HH TYR 124 HH TYR 124 -2.589 -7.550 -4.638 No H/Q in entry = 9 In of MODEL 4 1 H GLY 125 H GLY 125 0.805 -9.362 3.521 2 HA2 GLY 125 HA2 GLY 125 2.070 -10.528 5.142 3 HA3 GLY 125 HA3 GLY 125 3.224 -9.845 4.035 No H/Q in entry = 3 In of MODEL 4 1 H VAL 126 H VAL 126 2.528 -11.944 2.000 2 HA VAL 126 HA VAL 126 3.514 -14.422 2.794 3 HB VAL 126 HB VAL 126 4.472 -14.604 0.482 4 HG11 VAL 126 HG11 VAL 126 1.643 -13.582 0.666 5 HG12 VAL 126 HG12 VAL 126 2.315 -14.506 -0.678 6 HG13 VAL 126 HG13 VAL 126 2.170 -15.245 0.919 7 HG21 VAL 126 HG21 VAL 126 3.428 -11.784 0.204 8 HG22 VAL 126 HG22 VAL 126 5.120 -12.282 0.153 9 HG23 VAL 126 HG23 VAL 126 4.012 -12.794 -1.118 No H/Q in entry = 9 In of MODEL 4 1 H HIS 127 H HIS 127 5.110 -11.361 2.581 2 HA HIS 127 HA HIS 127 7.800 -12.191 2.469 3 HB2 HIS 127 HB2 HIS 127 6.908 -9.821 2.253 4 HB3 HIS 127 HB3 HIS 127 6.727 -9.810 3.998 5 HD1 HIS 127 HD1 HIS 127 8.763 -9.252 5.363 6 HD2 HIS 127 HD2 HIS 127 9.648 -9.941 1.362 7 HE1 HIS 127 HE1 HIS 127 11.174 -8.589 5.079 8 HE2 HIS 127 HE2 HIS 127 11.609 -8.809 2.607 No H/Q in entry = 8 In of MODEL 4 1 H THR 128 H THR 128 8.973 -13.302 3.917 2 HA THR 128 HA THR 128 7.829 -14.095 6.405 3 HB THR 128 HB THR 128 10.215 -15.073 6.735 4 HG1 THR 128 HG1 THR 128 11.439 -14.104 5.225 5 HG21 THR 128 HG21 THR 128 8.446 -15.975 4.462 6 HG22 THR 128 HG22 THR 128 9.673 -16.960 5.257 7 HG23 THR 128 HG23 THR 128 8.261 -16.412 6.160 No H/Q in entry = 7 In of MODEL 4 1 H SER 129 H SER 129 7.526 -12.316 7.682 2 HA SER 129 HA SER 129 9.677 -10.496 8.258 3 HB2 SER 129 HB2 SER 129 7.162 -9.942 8.210 4 HB3 SER 129 HB3 SER 129 7.080 -10.732 9.782 5 HG SER 129 HG SER 129 8.112 -9.104 10.680 No H/Q in entry = 5 In of MODEL 5 1 HA2 GLY -4 HA2 GLY -4 7.634 6.361 -13.488 2 HA3 GLY -4 HA3 GLY -4 8.888 7.568 -13.234 3 H1 GLY -4 H1 GLY -4 9.564 5.433 -12.375 4 H2 GLY -4 H2 GLY -4 8.207 5.362 -11.373 No H/Q in entry = 4 In of MODEL 5 1 H SER -3 H SER -3 6.806 8.868 -13.636 2 HA SER -3 HA SER -3 5.694 9.548 -11.003 3 HB2 SER -3 HB2 SER -3 7.016 11.309 -12.210 4 HB3 SER -3 HB3 SER -3 5.811 11.271 -13.494 5 HG SER -3 HG SER -3 5.742 12.553 -11.114 No H/Q in entry = 5 In of MODEL 5 1 HA PRO -2 HA PRO -2 1.765 8.125 -12.507 2 HB2 PRO -2 HB2 PRO -2 0.163 9.178 -10.618 3 HB3 PRO -2 HB3 PRO -2 1.255 7.828 -10.280 4 HG2 PRO -2 HG2 PRO -2 1.607 10.740 -9.702 5 HG3 PRO -2 HG3 PRO -2 1.964 9.345 -8.670 6 HD2 PRO -2 HD2 PRO -2 3.866 10.679 -10.098 7 HD3 PRO -2 HD3 PRO -2 3.985 8.956 -9.689 No H/Q in entry = 7 In of MODEL 5 1 H GLU -1 H GLU -1 2.647 10.186 -14.057 2 HA GLU -1 HA GLU -1 1.130 12.549 -14.045 3 HB2 GLU -1 HB2 GLU -1 3.195 12.187 -15.385 4 HB3 GLU -1 HB3 GLU -1 2.293 11.106 -16.439 5 HG2 GLU -1 HG2 GLU -1 0.750 13.059 -16.890 6 HG3 GLU -1 HG3 GLU -1 1.952 14.066 -16.087 No H/Q in entry = 6 In of MODEL 5 1 H PHE 0 H PHE 0 0.595 9.432 -15.598 2 HA PHE 0 HA PHE 0 -1.864 10.289 -16.817 3 HB2 PHE 0 HB2 PHE 0 -1.976 7.764 -17.389 4 HB3 PHE 0 HB3 PHE 0 -0.761 8.771 -18.169 5 HD1 PHE 0 HD1 PHE 0 1.590 8.580 -17.549 6 HD2 PHE 0 HD2 PHE 0 -1.384 6.091 -15.823 7 HE1 PHE 0 HE1 PHE 0 3.348 7.062 -16.727 8 HE2 PHE 0 HE2 PHE 0 0.363 4.563 -14.988 9 HZ PHE 0 HZ PHE 0 2.781 5.081 -15.489 No H/Q in entry = 9 In of MODEL 5 1 H HIS 1 H HIS 1 -1.348 9.976 -13.783 2 HA HIS 1 HA HIS 1 -2.497 9.420 -11.920 3 HB2 HIS 1 HB2 HIS 1 -4.724 9.713 -13.921 4 HB3 HIS 1 HB3 HIS 1 -5.053 9.308 -12.242 5 HD1 HIS 1 HD1 HIS 1 -6.315 11.567 -11.982 6 HD2 HIS 1 HD2 HIS 1 -2.271 11.944 -12.872 7 HE1 HIS 1 HE1 HIS 1 -5.733 13.962 -11.488 8 HE2 HIS 1 HE2 HIS 1 -3.298 14.184 -12.080 No H/Q in entry = 8 In of MODEL 5 1 H HIS 2 H HIS 2 -5.175 7.762 -12.852 2 HA HIS 2 HA HIS 2 -5.865 5.614 -12.736 3 HB2 HIS 2 HB2 HIS 2 -4.110 5.269 -14.534 4 HB3 HIS 2 HB3 HIS 2 -3.017 4.749 -13.260 5 HD1 HIS 2 HD1 HIS 2 -3.306 2.628 -15.147 6 HD2 HIS 2 HD2 HIS 2 -6.256 3.230 -12.276 7 HE1 HIS 2 HE1 HIS 2 -4.553 0.451 -14.991 8 HE2 HIS 2 HE2 HIS 2 -6.211 0.786 -13.127 No H/Q in entry = 8 In of MODEL 5 1 H PHE 3 H PHE 3 -2.617 5.787 -11.280 2 HA PHE 3 HA PHE 3 -3.808 4.793 -8.776 3 HB2 PHE 3 HB2 PHE 3 -1.009 4.246 -9.793 4 HB3 PHE 3 HB3 PHE 3 -1.664 3.707 -8.253 5 HD1 PHE 3 HD1 PHE 3 -4.090 2.467 -8.659 6 HD2 PHE 3 HD2 PHE 3 -0.801 2.590 -11.360 7 HE1 PHE 3 HE1 PHE 3 -4.901 0.409 -9.737 8 HE2 PHE 3 HE2 PHE 3 -1.611 0.531 -12.441 9 HZ PHE 3 HZ PHE 3 -3.603 -0.602 -11.597 No H/Q in entry = 9 In of MODEL 5 1 H THR 4 H THR 4 -4.054 6.708 -7.735 2 HA THR 4 HA THR 4 -1.605 8.208 -7.152 3 HB THR 4 HB THR 4 -3.030 10.317 -7.115 4 HG1 THR 4 HG1 THR 4 -4.922 10.256 -8.394 5 HG21 THR 4 HG21 THR 4 -2.564 8.969 -9.774 6 HG22 THR 4 HG22 THR 4 -2.837 10.696 -9.540 7 HG23 THR 4 HG23 THR 4 -1.395 9.933 -8.872 No H/Q in entry = 7 In of MODEL 5 1 H LEU 5 H LEU 5 -1.695 9.374 -5.127 2 HA LEU 5 HA LEU 5 -2.932 7.815 -3.110 3 HB2 LEU 5 HB2 LEU 5 -1.276 10.301 -3.097 4 HB3 LEU 5 HB3 LEU 5 -2.088 9.787 -1.633 5 HG LEU 5 HG LEU 5 -0.895 7.580 -1.859 6 HD11 LEU 5 HD11 LEU 5 0.676 9.097 -3.938 7 HD12 LEU 5 HD12 LEU 5 1.129 7.541 -3.240 8 HD13 LEU 5 HD13 LEU 5 -0.334 7.678 -4.217 9 HD21 LEU 5 HD21 LEU 5 -0.212 9.360 -0.315 10 HD22 LEU 5 HD22 LEU 5 1.160 8.430 -0.914 11 HD23 LEU 5 HD23 LEU 5 0.827 10.033 -1.568 No H/Q in entry = 11 In of MODEL 5 1 H GLU 6 H GLU 6 -3.701 10.965 -4.534 2 HA GLU 6 HA GLU 6 -5.949 11.527 -2.923 3 HB2 GLU 6 HB2 GLU 6 -5.508 12.041 -5.876 4 HB3 GLU 6 HB3 GLU 6 -6.826 12.724 -4.938 5 HG2 GLU 6 HG2 GLU 6 -5.235 13.917 -3.541 6 HG3 GLU 6 HG3 GLU 6 -3.898 13.204 -4.443 No H/Q in entry = 6 In of MODEL 5 1 H SER 7 H SER 7 -5.674 9.545 -5.933 2 HA SER 7 HA SER 7 -8.339 8.825 -6.071 3 HB2 SER 7 HB2 SER 7 -6.612 8.378 -7.815 4 HB3 SER 7 HB3 SER 7 -5.995 7.067 -6.813 5 HG SER 7 HG SER 7 -8.727 7.071 -7.417 No H/Q in entry = 5 In of MODEL 5 1 H SER 8 H SER 8 -6.039 7.848 -3.692 2 HA SER 8 HA SER 8 -7.679 5.550 -2.994 3 HB2 SER 8 HB2 SER 8 -4.988 6.332 -1.902 4 HB3 SER 8 HB3 SER 8 -5.894 4.861 -1.513 5 HG SER 8 HG SER 8 -4.973 5.609 -4.105 No H/Q in entry = 5 In of MODEL 5 1 H LEU 9 H LEU 9 -7.264 8.808 -1.899 2 HA LEU 9 HA LEU 9 -7.114 8.510 0.806 3 HB2 LEU 9 HB2 LEU 9 -8.458 10.667 -0.764 4 HB3 LEU 9 HB3 LEU 9 -8.058 10.777 0.943 5 HG LEU 9 HG LEU 9 -6.019 10.274 -1.209 6 HD11 LEU 9 HD11 LEU 9 -7.085 12.394 -1.565 7 HD12 LEU 9 HD12 LEU 9 -6.791 12.854 0.111 8 HD13 LEU 9 HD13 LEU 9 -5.432 12.613 -0.990 9 HD21 LEU 9 HD21 LEU 9 -5.756 11.089 1.683 10 HD22 LEU 9 HD22 LEU 9 -5.359 9.506 1.004 11 HD23 LEU 9 HD23 LEU 9 -4.425 10.933 0.538 No H/Q in entry = 11 In of MODEL 5 1 H ASP 10 H ASP 10 -10.025 8.505 -1.059 2 HA ASP 10 HA ASP 10 -11.751 8.231 1.265 3 HB2 ASP 10 HB2 ASP 10 -12.475 9.532 -0.710 4 HB3 ASP 10 HB3 ASP 10 -12.333 8.103 -1.707 No H/Q in entry = 4 In of MODEL 5 1 H THR 11 H THR 11 -9.847 6.182 -0.550 2 HA THR 11 HA THR 11 -11.699 3.967 -0.107 3 HB THR 11 HB THR 11 -10.899 2.937 -2.208 4 HG1 THR 11 HG1 THR 11 -9.891 4.826 -3.598 5 HG21 THR 11 HG21 THR 11 -12.053 5.727 -2.422 6 HG22 THR 11 HG22 THR 11 -12.045 4.541 -3.738 7 HG23 THR 11 HG23 THR 11 -12.948 4.212 -2.258 No H/Q in entry = 7 In of MODEL 5 1 H HIS 12 H HIS 12 -8.619 3.491 -1.596 2 HA HIS 12 HA HIS 12 -7.897 1.464 0.167 3 HB2 HIS 12 HB2 HIS 12 -5.785 2.964 -1.358 4 HB3 HIS 12 HB3 HIS 12 -5.885 1.247 -1.026 5 HD1 HIS 12 HD1 HIS 12 -6.007 3.319 -3.810 6 HD2 HIS 12 HD2 HIS 12 -8.530 0.336 -2.401 7 HE1 HIS 12 HE1 HIS 12 -7.318 2.530 -5.814 8 HE2 HIS 12 HE2 HIS 12 -8.908 0.790 -4.922 No H/Q in entry = 8 In of MODEL 5 1 H LEU 13 H LEU 13 -7.086 4.914 0.281 2 HA LEU 13 HA LEU 13 -5.243 4.318 2.500 3 HB2 LEU 13 HB2 LEU 13 -5.354 6.656 0.616 4 HB3 LEU 13 HB3 LEU 13 -4.326 6.602 2.034 5 HG LEU 13 HG LEU 13 -4.168 4.751 -0.346 6 HD11 LEU 13 HD11 LEU 13 -3.340 7.006 -0.782 7 HD12 LEU 13 HD12 LEU 13 -2.293 6.898 0.632 8 HD13 LEU 13 HD13 LEU 13 -2.026 5.832 -0.745 9 HD21 LEU 13 HD21 LEU 13 -2.517 4.848 2.176 10 HD22 LEU 13 HD22 LEU 13 -3.589 3.543 1.668 11 HD23 LEU 13 HD23 LEU 13 -2.129 3.894 0.745 No H/Q in entry = 11 In of MODEL 5 1 H LYS 14 H LYS 14 -8.175 4.663 2.583 2 HA LYS 14 HA LYS 14 -8.825 7.212 3.628 3 HB2 LYS 14 HB2 LYS 14 -11.000 6.329 4.012 4 HB3 LYS 14 HB3 LYS 14 -10.415 5.633 2.514 5 HG2 LYS 14 HG2 LYS 14 -9.773 3.593 3.826 6 HG3 LYS 14 HG3 LYS 14 -10.622 4.298 5.201 7 HD2 LYS 14 HD2 LYS 14 -11.789 3.520 2.530 8 HD3 LYS 14 HD3 LYS 14 -12.111 2.777 4.094 9 HE2 LYS 14 HE2 LYS 14 -13.094 4.929 4.853 10 HE3 LYS 14 HE3 LYS 14 -12.860 5.566 3.224 11 HZ1 LYS 14 HZ1 LYS 14 -14.307 3.789 2.396 12 HZ2 LYS 14 HZ2 LYS 14 -14.582 3.264 3.978 13 HZ3 LYS 14 HZ3 LYS 14 -15.108 4.796 3.490 No H/Q in entry = 13 In of MODEL 5 1 H TRP 15 H TRP 15 -7.402 4.467 5.033 2 HA TRP 15 HA TRP 15 -8.278 4.905 7.727 3 HB2 TRP 15 HB2 TRP 15 -6.516 3.226 8.288 4 HB3 TRP 15 HB3 TRP 15 -7.650 2.666 7.061 5 HD1 TRP 15 HD1 TRP 15 -6.740 2.460 4.556 6 HE1 TRP 15 HE1 TRP 15 -4.362 2.211 3.612 7 HE3 TRP 15 HE3 TRP 15 -4.083 3.898 8.675 8 HZ2 TRP 15 HZ2 TRP 15 -1.701 2.578 4.501 9 HZ3 TRP 15 HZ3 TRP 15 -1.627 3.921 8.546 10 HH2 TRP 15 HH2 TRP 15 -0.462 3.274 6.502 No H/Q in entry = 10 In of MODEL 5 1 H LEU 16 H LEU 16 -6.095 6.493 5.726 2 HA LEU 16 HA LEU 16 -4.206 7.307 7.729 3 HB2 LEU 16 HB2 LEU 16 -4.929 8.532 5.057 4 HB3 LEU 16 HB3 LEU 16 -3.629 9.104 6.079 5 HG LEU 16 HG LEU 16 -3.721 6.323 4.889 6 HD11 LEU 16 HD11 LEU 16 -3.615 8.120 3.169 7 HD12 LEU 16 HD12 LEU 16 -2.134 8.704 3.935 8 HD13 LEU 16 HD13 LEU 16 -2.184 7.090 3.220 9 HD21 LEU 16 HD21 LEU 16 -1.515 7.902 6.220 10 HD22 LEU 16 HD22 LEU 16 -2.308 6.455 6.852 11 HD23 LEU 16 HD23 LEU 16 -1.299 6.354 5.405 No H/Q in entry = 11 In of MODEL 5 1 H SER 17 H SER 17 -4.265 9.084 9.004 2 HA SER 17 HA SER 17 -6.842 10.239 9.505 3 HB2 SER 17 HB2 SER 17 -4.207 11.192 10.621 4 HB3 SER 17 HB3 SER 17 -5.805 11.423 11.312 5 HG SER 17 HG SER 17 -5.882 9.067 11.465 No H/Q in entry = 5 In of MODEL 5 1 H GLN 18 H GLN 18 -7.229 12.661 9.476 2 HA GLN 18 HA GLN 18 -6.848 13.615 6.893 3 HB2 GLN 18 HB2 GLN 18 -7.458 15.176 9.411 4 HB3 GLN 18 HB3 GLN 18 -7.555 15.849 7.789 5 HG2 GLN 18 HG2 GLN 18 -9.190 13.571 8.883 6 HG3 GLN 18 HG3 GLN 18 -9.749 15.212 8.568 7 HE21 GLN 18 HE21 GLN 18 -10.032 15.894 6.437 8 HE22 GLN 18 HE22 GLN 18 -10.144 14.770 5.127 No H/Q in entry = 8 In of MODEL 5 1 H GLU 19 H GLU 19 -5.039 14.477 9.834 2 HA GLU 19 HA GLU 19 -3.311 16.300 8.650 3 HB2 GLU 19 HB2 GLU 19 -1.903 15.912 10.579 4 HB3 GLU 19 HB3 GLU 19 -3.569 16.026 11.068 5 HG2 GLU 19 HG2 GLU 19 -3.688 13.627 11.313 6 HG3 GLU 19 HG3 GLU 19 -2.032 13.461 10.727 No H/Q in entry = 6 In of MODEL 5 1 H GLN 20 H GLN 20 -3.271 12.787 8.713 2 HA GLN 20 HA GLN 20 -0.611 12.538 7.692 3 HB2 GLN 20 HB2 GLN 20 -2.828 10.486 7.548 4 HB3 GLN 20 HB3 GLN 20 -1.096 10.189 7.459 5 HG2 GLN 20 HG2 GLN 20 -2.553 11.261 9.859 6 HG3 GLN 20 HG3 GLN 20 -2.051 9.590 9.640 7 HE21 GLN 20 HE21 GLN 20 0.042 9.034 10.023 8 HE22 GLN 20 HE22 GLN 20 1.227 10.138 10.640 No H/Q in entry = 8 In of MODEL 5 1 H LYS 21 H LYS 21 -3.866 12.401 6.258 2 HA LYS 21 HA LYS 21 -3.130 11.894 3.606 3 HB2 LYS 21 HB2 LYS 21 -5.385 13.624 4.642 4 HB3 LYS 21 HB3 LYS 21 -5.233 13.076 2.982 5 HG2 LYS 21 HG2 LYS 21 -5.432 10.757 3.731 6 HG3 LYS 21 HG3 LYS 21 -5.593 11.316 5.397 7 HD2 LYS 21 HD2 LYS 21 -7.618 12.531 4.818 8 HD3 LYS 21 HD3 LYS 21 -7.444 12.050 3.131 9 HE2 LYS 21 HE2 LYS 21 -7.752 9.725 3.731 10 HE3 LYS 21 HE3 LYS 21 -7.827 10.153 5.441 11 HZ1 LYS 21 HZ1 LYS 21 -9.825 11.442 4.991 12 HZ2 LYS 21 HZ2 LYS 21 -9.754 11.017 3.355 13 HZ3 LYS 21 HZ3 LYS 21 -10.033 9.829 4.523 No H/Q in entry = 13 In of MODEL 5 1 H ASP 22 H ASP 22 -3.529 14.960 5.298 2 HA ASP 22 HA ASP 22 -2.740 16.674 3.200 3 HB2 ASP 22 HB2 ASP 22 -3.982 17.418 5.190 4 HB3 ASP 22 HB3 ASP 22 -2.585 17.067 6.197 No H/Q in entry = 4 In of MODEL 5 1 H GLU 23 H GLU 23 -0.860 14.988 5.715 2 HA GLU 23 HA GLU 23 1.653 16.089 5.160 3 HB2 GLU 23 HB2 GLU 23 1.081 14.641 7.078 4 HB3 GLU 23 HB3 GLU 23 0.907 13.285 5.979 5 HG2 GLU 23 HG2 GLU 23 3.024 13.172 7.049 6 HG3 GLU 23 HG3 GLU 23 3.235 13.531 5.338 No H/Q in entry = 6 In of MODEL 5 1 H LEU 24 H LEU 24 0.088 13.153 3.835 2 HA LEU 24 HA LEU 24 2.201 12.457 2.113 3 HB2 LEU 24 HB2 LEU 24 -0.732 11.808 2.183 4 HB3 LEU 24 HB3 LEU 24 0.295 11.198 0.905 5 HG LEU 24 HG LEU 24 -0.202 9.654 2.874 6 HD11 LEU 24 HD11 LEU 24 2.651 10.170 2.089 7 HD12 LEU 24 HD12 LEU 24 2.062 8.719 2.905 8 HD13 LEU 24 HD13 LEU 24 1.503 9.105 1.274 9 HD21 LEU 24 HD21 LEU 24 1.579 11.622 4.215 10 HD22 LEU 24 HD22 LEU 24 0.107 10.844 4.806 11 HD23 LEU 24 HD23 LEU 24 1.606 9.924 4.672 No H/Q in entry = 11 In of MODEL 5 1 H LEU 25 H LEU 25 -0.768 14.332 1.544 2 HA LEU 25 HA LEU 25 -0.428 14.747 -1.207 3 HB2 LEU 25 HB2 LEU 25 -1.808 16.443 0.869 4 HB3 LEU 25 HB3 LEU 25 -1.913 16.731 -0.855 5 HG LEU 25 HG LEU 25 -2.891 14.265 0.585 6 HD11 LEU 25 HD11 LEU 25 -4.391 16.514 -0.747 7 HD12 LEU 25 HD12 LEU 25 -5.110 15.060 -0.059 8 HD13 LEU 25 HD13 LEU 25 -4.288 16.217 0.989 9 HD21 LEU 25 HD21 LEU 25 -2.981 15.014 -2.335 10 HD22 LEU 25 HD22 LEU 25 -2.095 13.672 -1.613 11 HD23 LEU 25 HD23 LEU 25 -3.856 13.667 -1.608 No H/Q in entry = 11 In of MODEL 5 1 H LYS 26 H LYS 26 0.812 16.510 1.567 2 HA LYS 26 HA LYS 26 1.834 18.755 0.175 3 HB2 LYS 26 HB2 LYS 26 1.509 18.668 2.632 4 HB3 LYS 26 HB3 LYS 26 2.833 17.518 2.746 5 HG2 LYS 26 HG2 LYS 26 3.564 19.755 3.343 6 HG3 LYS 26 HG3 LYS 26 4.376 19.201 1.877 7 HD2 LYS 26 HD2 LYS 26 2.831 20.508 0.515 8 HD3 LYS 26 HD3 LYS 26 1.983 21.039 1.967 9 HE2 LYS 26 HE2 LYS 26 4.000 22.160 2.748 10 HE3 LYS 26 HE3 LYS 26 4.877 21.597 1.327 11 HZ1 LYS 26 HZ1 LYS 26 2.516 23.400 1.272 12 HZ2 LYS 26 HZ2 LYS 26 4.125 23.891 1.093 13 HZ3 LYS 26 HZ3 LYS 26 3.411 22.891 -0.067 No H/Q in entry = 13 In of MODEL 5 1 H MET 27 H MET 27 3.326 15.683 1.138 2 HA MET 27 HA MET 27 5.835 16.178 0.052 3 HB2 MET 27 HB2 MET 27 4.427 13.518 0.264 4 HB3 MET 27 HB3 MET 27 6.153 13.752 0.021 5 HG2 MET 27 HG2 MET 27 5.864 15.190 2.238 6 HG3 MET 27 HG3 MET 27 4.513 14.082 2.458 7 HE1 MET 27 HE1 MET 27 5.856 11.557 0.808 8 HE2 MET 27 HE2 MET 27 6.487 10.616 2.157 9 HE3 MET 27 HE3 MET 27 4.884 11.346 2.264 No H/Q in entry = 9 In of MODEL 5 1 H LYS 28 H LYS 28 3.057 14.550 -1.538 2 HA LYS 28 HA LYS 28 4.331 14.029 -3.967 3 HB2 LYS 28 HB2 LYS 28 2.064 13.212 -3.075 4 HB3 LYS 28 HB3 LYS 28 1.409 14.723 -3.679 5 HG2 LYS 28 HG2 LYS 28 2.909 12.816 -5.449 6 HG3 LYS 28 HG3 LYS 28 1.177 12.669 -5.154 7 HD2 LYS 28 HD2 LYS 28 0.828 14.919 -6.040 8 HD3 LYS 28 HD3 LYS 28 2.565 15.090 -6.305 9 HE2 LYS 28 HE2 LYS 28 2.499 13.198 -7.868 10 HE3 LYS 28 HE3 LYS 28 0.759 13.059 -7.617 11 HZ1 LYS 28 HZ1 LYS 28 2.146 15.437 -8.733 12 HZ2 LYS 28 HZ2 LYS 28 1.300 14.283 -9.636 13 HZ3 LYS 28 HZ3 LYS 28 0.474 15.263 -8.537 No H/Q in entry = 13 In of MODEL 5 1 H LYS 29 H LYS 29 2.509 16.866 -2.875 2 HA LYS 29 HA LYS 29 2.710 18.225 -5.356 3 HB2 LYS 29 HB2 LYS 29 0.936 18.669 -3.701 4 HB3 LYS 29 HB3 LYS 29 2.135 19.386 -2.630 5 HG2 LYS 29 HG2 LYS 29 2.597 21.115 -4.288 6 HG3 LYS 29 HG3 LYS 29 1.410 20.393 -5.375 7 HD2 LYS 29 HD2 LYS 29 0.797 21.467 -2.629 8 HD3 LYS 29 HD3 LYS 29 0.542 22.351 -4.133 9 HE2 LYS 29 HE2 LYS 29 -1.008 20.609 -4.882 10 HE3 LYS 29 HE3 LYS 29 -0.752 19.735 -3.371 11 HZ1 LYS 29 HZ1 LYS 29 -1.904 22.456 -3.611 12 HZ2 LYS 29 HZ2 LYS 29 -2.779 21.045 -3.308 13 HZ3 LYS 29 HZ3 LYS 29 -1.666 21.614 -2.168 No H/Q in entry = 13 In of MODEL 5 1 H ASP 30 H ASP 30 4.775 18.158 -2.521 2 HA ASP 30 HA ASP 30 6.201 20.524 -3.332 3 HB2 ASP 30 HB2 ASP 30 5.894 19.823 -0.925 4 HB3 ASP 30 HB3 ASP 30 7.008 18.495 -1.228 No H/Q in entry = 4 In of MODEL 5 1 H GLY 31 H GLY 31 6.093 17.545 -4.513 2 HA2 GLY 31 HA2 GLY 31 8.574 18.002 -5.956 3 HA3 GLY 31 HA3 GLY 31 7.293 16.884 -6.406 No H/Q in entry = 3 In of MODEL 5 1 H LYS 32 H LYS 32 7.413 15.997 -3.456 2 HA LYS 32 HA LYS 32 9.870 14.591 -3.234 3 HB2 LYS 32 HB2 LYS 32 7.186 14.091 -1.926 4 HB3 LYS 32 HB3 LYS 32 8.673 13.257 -1.500 5 HG2 LYS 32 HG2 LYS 32 8.151 16.211 -1.220 6 HG3 LYS 32 HG3 LYS 32 8.189 15.026 0.087 7 HD2 LYS 32 HD2 LYS 32 10.552 14.540 -0.494 8 HD3 LYS 32 HD3 LYS 32 10.488 15.834 -1.691 9 HE2 LYS 32 HE2 LYS 32 9.941 17.430 0.103 10 HE3 LYS 32 HE3 LYS 32 10.086 16.127 1.281 11 HZ1 LYS 32 HZ1 LYS 32 12.405 15.843 0.594 12 HZ2 LYS 32 HZ2 LYS 32 12.253 17.147 -0.474 13 HZ3 LYS 32 HZ3 LYS 32 12.115 17.398 1.194 No H/Q in entry = 13 In of MODEL 5 1 H ALA 33 H ALA 33 10.183 12.382 -3.556 2 HA ALA 33 HA ALA 33 9.076 11.429 -6.004 3 HB1 ALA 33 HB1 ALA 33 11.390 10.946 -5.391 4 HB2 ALA 33 HB2 ALA 33 10.481 9.459 -5.655 5 HB3 ALA 33 HB3 ALA 33 10.833 9.996 -4.014 No H/Q in entry = 5 In of MODEL 5 1 H LYS 34 H LYS 34 7.822 9.573 -6.348 2 HA LYS 34 HA LYS 34 5.706 9.066 -4.593 3 HB2 LYS 34 HB2 LYS 34 6.025 8.508 -7.119 4 HB3 LYS 34 HB3 LYS 34 6.661 6.988 -6.513 5 HG2 LYS 34 HG2 LYS 34 4.576 6.569 -5.326 6 HG3 LYS 34 HG3 LYS 34 3.938 8.111 -5.892 7 HD2 LYS 34 HD2 LYS 34 3.028 6.446 -7.311 8 HD3 LYS 34 HD3 LYS 34 4.288 7.258 -8.242 9 HE2 LYS 34 HE2 LYS 34 4.442 4.874 -8.578 10 HE3 LYS 34 HE3 LYS 34 5.844 5.433 -7.668 11 HZ1 LYS 34 HZ1 LYS 34 4.690 4.710 -5.620 12 HZ2 LYS 34 HZ2 LYS 34 3.460 4.054 -6.573 13 HZ3 LYS 34 HZ3 LYS 34 5.030 3.428 -6.680 No H/Q in entry = 13 In of MODEL 5 1 H LYS 35 H LYS 35 8.870 7.586 -4.953 2 HA LYS 35 HA LYS 35 8.648 5.374 -3.286 3 HB2 LYS 35 HB2 LYS 35 10.962 7.221 -3.844 4 HB3 LYS 35 HB3 LYS 35 11.127 5.803 -2.822 5 HG2 LYS 35 HG2 LYS 35 10.311 5.815 -5.722 6 HG3 LYS 35 HG3 LYS 35 11.891 5.362 -5.084 7 HD2 LYS 35 HD2 LYS 35 9.274 3.956 -4.557 8 HD3 LYS 35 HD3 LYS 35 10.583 3.376 -5.581 9 HE2 LYS 35 HE2 LYS 35 12.048 3.214 -3.651 10 HE3 LYS 35 HE3 LYS 35 10.785 3.877 -2.614 11 HZ1 LYS 35 HZ1 LYS 35 9.409 1.940 -3.177 12 HZ2 LYS 35 HZ2 LYS 35 10.688 1.294 -4.070 13 HZ3 LYS 35 HZ3 LYS 35 10.844 1.501 -2.402 No H/Q in entry = 13 In of MODEL 5 1 H GLU 36 H GLU 36 8.592 8.725 -2.459 2 HA GLU 36 HA GLU 36 9.390 8.272 0.281 3 HB2 GLU 36 HB2 GLU 36 8.351 10.774 -1.050 4 HB3 GLU 36 HB3 GLU 36 9.073 10.676 0.553 5 HG2 GLU 36 HG2 GLU 36 11.132 9.761 -0.557 6 HG3 GLU 36 HG3 GLU 36 10.395 10.197 -2.089 No H/Q in entry = 6 In of MODEL 5 1 H LEU 37 H LEU 37 6.600 8.517 -1.637 2 HA LEU 37 HA LEU 37 4.719 8.779 0.504 3 HB2 LEU 37 HB2 LEU 37 4.314 7.868 -2.344 4 HB3 LEU 37 HB3 LEU 37 3.051 8.359 -1.230 5 HG LEU 37 HG LEU 37 5.270 10.199 -2.111 6 HD11 LEU 37 HD11 LEU 37 3.958 9.492 -4.037 7 HD12 LEU 37 HD12 LEU 37 2.480 9.980 -3.211 8 HD13 LEU 37 HD13 LEU 37 3.686 11.191 -3.649 9 HD21 LEU 37 HD21 LEU 37 4.171 10.795 -0.010 10 HD22 LEU 37 HD22 LEU 37 3.787 11.948 -1.287 11 HD23 LEU 37 HD23 LEU 37 2.602 10.733 -0.811 No H/Q in entry = 11 In of MODEL 5 1 H GLU 38 H GLU 38 5.865 6.073 -1.510 2 HA GLU 38 HA GLU 38 4.342 4.086 -0.189 3 HB2 GLU 38 HB2 GLU 38 6.839 3.957 -1.843 4 HB3 GLU 38 HB3 GLU 38 6.239 2.530 -1.013 5 HG2 GLU 38 HG2 GLU 38 5.235 2.250 -3.018 6 HG3 GLU 38 HG3 GLU 38 3.994 3.201 -2.208 No H/Q in entry = 6 In of MODEL 5 1 H ALA 39 H ALA 39 7.015 5.888 0.788 2 HA ALA 39 HA ALA 39 7.961 3.899 2.691 3 HB1 ALA 39 HB1 ALA 39 8.887 6.736 2.254 4 HB2 ALA 39 HB2 ALA 39 9.688 5.503 3.228 5 HB3 ALA 39 HB3 ALA 39 9.571 5.305 1.480 No H/Q in entry = 5 In of MODEL 5 1 H LYS 40 H LYS 40 6.400 7.045 2.702 2 HA LYS 40 HA LYS 40 6.156 7.317 5.484 3 HB2 LYS 40 HB2 LYS 40 5.847 9.098 3.714 4 HB3 LYS 40 HB3 LYS 40 4.269 8.396 3.390 5 HG2 LYS 40 HG2 LYS 40 3.981 10.271 4.828 6 HG3 LYS 40 HG3 LYS 40 3.660 8.806 5.756 7 HD2 LYS 40 HD2 LYS 40 4.975 10.206 7.142 8 HD3 LYS 40 HD3 LYS 40 6.045 8.936 6.565 9 HE2 LYS 40 HE2 LYS 40 6.974 10.419 4.899 10 HE3 LYS 40 HE3 LYS 40 5.835 11.686 5.350 11 HZ1 LYS 40 HZ1 LYS 40 6.857 11.750 7.549 12 HZ2 LYS 40 HZ2 LYS 40 7.965 10.561 7.084 13 HZ3 LYS 40 HZ3 LYS 40 7.991 12.076 6.339 No H/Q in entry = 13 In of MODEL 5 1 H ILE 41 H ILE 41 3.937 5.970 3.022 2 HA ILE 41 HA ILE 41 1.852 5.410 4.853 3 HB ILE 41 HB ILE 41 2.432 4.268 2.119 4 HG12 ILE 41 HG12 ILE 41 0.449 6.384 2.965 5 HG13 ILE 41 HG13 ILE 41 2.040 6.739 2.301 6 HG21 ILE 41 HG21 ILE 41 0.995 2.769 3.384 7 HG22 ILE 41 HG22 ILE 41 -0.083 4.108 3.770 8 HG23 ILE 41 HG23 ILE 41 0.089 3.569 2.099 9 HD11 ILE 41 HD11 ILE 41 -0.150 5.233 0.903 10 HD12 ILE 41 HD12 ILE 41 0.305 6.913 0.618 11 HD13 ILE 41 HD13 ILE 41 1.440 5.614 0.241 No H/Q in entry = 11 In of MODEL 5 1 H LEU 42 H LEU 42 4.433 3.426 3.436 2 HA LEU 42 HA LEU 42 3.727 1.007 4.640 3 HB2 LEU 42 HB2 LEU 42 6.267 2.129 3.560 4 HB3 LEU 42 HB3 LEU 42 6.311 0.616 4.434 5 HG LEU 42 HG LEU 42 4.793 1.211 1.897 6 HD11 LEU 42 HD11 LEU 42 7.196 0.816 1.643 7 HD12 LEU 42 HD12 LEU 42 7.019 -0.732 2.472 8 HD13 LEU 42 HD13 LEU 42 6.229 -0.465 0.917 9 HD21 LEU 42 HD21 LEU 42 4.698 -1.178 3.710 10 HD22 LEU 42 HD22 LEU 42 3.358 -0.198 3.115 11 HD23 LEU 42 HD23 LEU 42 4.241 -1.259 2.008 No H/Q in entry = 11 In of MODEL 5 1 H HIS 43 H HIS 43 5.678 3.695 5.827 2 HA HIS 43 HA HIS 43 6.463 2.453 8.242 3 HB2 HIS 43 HB2 HIS 43 7.425 4.601 7.293 4 HB3 HIS 43 HB3 HIS 43 5.984 5.414 7.895 5 HD1 HIS 43 HD1 HIS 43 6.076 6.201 10.269 6 HD2 HIS 43 HD2 HIS 43 8.956 3.321 9.444 7 HE1 HIS 43 HE1 HIS 43 7.489 6.045 12.340 8 HE2 HIS 43 HE2 HIS 43 9.283 4.365 11.788 No H/Q in entry = 8 In of MODEL 5 1 H TYR 44 H TYR 44 3.720 4.642 7.491 2 HA TYR 44 HA TYR 44 2.517 4.635 10.011 3 HB2 TYR 44 HB2 TYR 44 1.247 4.779 7.272 4 HB3 TYR 44 HB3 TYR 44 0.380 5.074 8.773 5 HD1 TYR 44 HD1 TYR 44 2.896 6.476 10.041 6 HD2 TYR 44 HD2 TYR 44 0.721 6.995 6.427 7 HE1 TYR 44 HE1 TYR 44 3.592 8.826 9.968 8 HE2 TYR 44 HE2 TYR 44 1.411 9.335 6.335 9 HH TYR 44 HH TYR 44 3.893 10.599 8.212 No H/Q in entry = 9 In of MODEL 5 1 H TYR 45 H TYR 45 2.209 2.442 7.307 2 HA TYR 45 HA TYR 45 0.194 0.772 8.232 3 HB2 TYR 45 HB2 TYR 45 0.955 0.749 5.933 4 HB3 TYR 45 HB3 TYR 45 2.569 0.270 6.433 5 HD1 TYR 45 HD1 TYR 45 -0.932 -0.901 6.694 6 HD2 TYR 45 HD2 TYR 45 3.153 -1.935 6.213 7 HE1 TYR 45 HE1 TYR 45 -1.572 -3.248 6.411 8 HE2 TYR 45 HE2 TYR 45 2.529 -4.295 5.921 9 HH TYR 45 HH TYR 45 0.685 -5.795 6.474 No H/Q in entry = 9 In of MODEL 5 1 H ASP 46 H ASP 46 3.711 0.587 8.683 2 HA ASP 46 HA ASP 46 3.513 -1.975 9.966 3 HB2 ASP 46 HB2 ASP 46 5.479 -0.932 8.553 4 HB3 ASP 46 HB3 ASP 46 5.975 -0.263 10.103 No H/Q in entry = 4 In of MODEL 5 1 H GLU 47 H GLU 47 3.231 1.250 11.044 2 HA GLU 47 HA GLU 47 3.868 0.508 13.794 3 HB2 GLU 47 HB2 GLU 47 3.613 2.908 14.281 4 HB3 GLU 47 HB3 GLU 47 4.836 2.585 13.063 5 HG2 GLU 47 HG2 GLU 47 3.421 3.312 11.330 6 HG3 GLU 47 HG3 GLU 47 2.021 3.364 12.395 No H/Q in entry = 6 In of MODEL 5 1 H LEU 48 H LEU 48 1.308 -0.051 12.005 2 HA LEU 48 HA LEU 48 -0.811 1.356 13.207 3 HB2 LEU 48 HB2 LEU 48 -0.628 -1.104 11.511 4 HB3 LEU 48 HB3 LEU 48 -2.167 -0.526 12.097 5 HG LEU 48 HG LEU 48 -0.277 1.029 10.355 6 HD11 LEU 48 HD11 LEU 48 -1.390 -0.823 9.202 7 HD12 LEU 48 HD12 LEU 48 -2.952 -0.215 9.752 8 HD13 LEU 48 HD13 LEU 48 -1.973 0.745 8.644 9 HD21 LEU 48 HD21 LEU 48 -2.960 1.689 11.545 10 HD22 LEU 48 HD22 LEU 48 -1.434 2.546 11.767 11 HD23 LEU 48 HD23 LEU 48 -2.242 2.579 10.199 No H/Q in entry = 11 In of MODEL 5 1 H GLU 49 H GLU 49 -2.583 -0.805 13.641 2 HA GLU 49 HA GLU 49 -1.826 -1.392 16.415 3 HB2 GLU 49 HB2 GLU 49 -4.530 -0.488 15.393 4 HB3 GLU 49 HB3 GLU 49 -4.192 -0.981 17.046 5 HG2 GLU 49 HG2 GLU 49 -2.968 1.376 15.631 6 HG3 GLU 49 HG3 GLU 49 -4.263 1.442 16.825 No H/Q in entry = 6 In of MODEL 5 1 H GLY 50 H GLY 50 -4.552 -2.642 16.738 2 HA2 GLY 50 HA2 GLY 50 -5.250 -4.848 16.726 3 HA3 GLY 50 HA3 GLY 50 -3.832 -5.259 15.776 No H/Q in entry = 3 In of MODEL 5 1 H ASP 51 H ASP 51 -7.105 -3.977 15.635 2 HA ASP 51 HA ASP 51 -7.534 -5.318 13.136 3 HB2 ASP 51 HB2 ASP 51 -9.806 -4.735 13.332 4 HB3 ASP 51 HB3 ASP 51 -9.270 -4.998 14.985 No H/Q in entry = 4 In of MODEL 5 1 H ALA 52 H ALA 52 -6.609 -2.125 14.080 2 HA ALA 52 HA ALA 52 -7.326 -0.690 11.747 3 HB1 ALA 52 HB1 ALA 52 -4.847 -0.315 13.442 4 HB2 ALA 52 HB2 ALA 52 -5.570 0.869 12.355 5 HB3 ALA 52 HB3 ALA 52 -6.430 0.366 13.812 No H/Q in entry = 5 In of MODEL 5 1 H LYS 53 H LYS 53 -4.498 -2.606 12.584 2 HA LYS 53 HA LYS 53 -3.069 -2.190 10.196 3 HB2 LYS 53 HB2 LYS 53 -2.385 -3.218 12.534 4 HB3 LYS 53 HB3 LYS 53 -2.823 -4.729 11.757 5 HG2 LYS 53 HG2 LYS 53 -0.902 -2.853 10.445 6 HG3 LYS 53 HG3 LYS 53 -0.366 -3.942 11.723 7 HD2 LYS 53 HD2 LYS 53 -1.258 -5.840 10.409 8 HD3 LYS 53 HD3 LYS 53 -1.657 -4.714 9.112 9 HE2 LYS 53 HE2 LYS 53 0.671 -4.131 8.848 10 HE3 LYS 53 HE3 LYS 53 1.113 -5.130 10.227 11 HZ1 LYS 53 HZ1 LYS 53 0.230 -7.057 8.957 12 HZ2 LYS 53 HZ2 LYS 53 0.067 -6.045 7.610 13 HZ3 LYS 53 HZ3 LYS 53 1.596 -6.342 8.273 No H/Q in entry = 13 In of MODEL 5 1 H LYS 54 H LYS 54 -5.173 -4.848 11.283 2 HA LYS 54 HA LYS 54 -5.149 -6.390 8.979 3 HB2 LYS 54 HB2 LYS 54 -6.626 -7.630 10.072 4 HB3 LYS 54 HB3 LYS 54 -6.495 -6.463 11.376 5 HG2 LYS 54 HG2 LYS 54 -8.457 -5.367 10.748 6 HG3 LYS 54 HG3 LYS 54 -8.464 -6.114 9.141 7 HD2 LYS 54 HD2 LYS 54 -8.892 -8.274 10.138 8 HD3 LYS 54 HD3 LYS 54 -8.832 -7.567 11.753 9 HE2 LYS 54 HE2 LYS 54 -10.767 -6.182 11.240 10 HE3 LYS 54 HE3 LYS 54 -10.811 -6.825 9.600 11 HZ1 LYS 54 HZ1 LYS 54 -11.200 -8.412 12.075 12 HZ2 LYS 54 HZ2 LYS 54 -12.430 -7.898 11.038 13 HZ3 LYS 54 HZ3 LYS 54 -11.279 -9.008 10.495 No H/Q in entry = 13 In of MODEL 5 1 H GLU 55 H GLU 55 -7.236 -3.602 9.749 2 HA GLU 55 HA GLU 55 -8.767 -3.773 7.394 3 HB2 GLU 55 HB2 GLU 55 -8.252 -1.604 9.425 4 HB3 GLU 55 HB3 GLU 55 -9.330 -1.352 8.076 5 HG2 GLU 55 HG2 GLU 55 -9.631 -3.486 10.164 6 HG3 GLU 55 HG3 GLU 55 -10.499 -1.959 10.128 No H/Q in entry = 6 In of MODEL 5 1 H ALA 56 H ALA 56 -6.002 -1.704 8.309 2 HA ALA 56 HA ALA 56 -5.902 -0.371 5.864 3 HB1 ALA 56 HB1 ALA 56 -3.598 0.218 6.430 4 HB2 ALA 56 HB2 ALA 56 -3.584 -1.019 7.688 5 HB3 ALA 56 HB3 ALA 56 -4.649 0.380 7.836 No H/Q in entry = 5 In of MODEL 5 1 H THR 57 H THR 57 -4.175 -3.277 6.958 2 HA THR 57 HA THR 57 -2.703 -3.897 4.738 3 HB THR 57 HB THR 57 -4.250 -5.830 6.482 4 HG1 THR 57 HG1 THR 57 -2.869 -4.729 7.781 5 HG21 THR 57 HG21 THR 57 -1.899 -6.270 4.644 6 HG22 THR 57 HG22 THR 57 -2.489 -7.446 5.819 7 HG23 THR 57 HG23 THR 57 -3.519 -6.946 4.478 No H/Q in entry = 7 In of MODEL 5 1 H GLU 58 H GLU 58 -6.080 -4.739 5.358 2 HA GLU 58 HA GLU 58 -6.526 -6.057 2.881 3 HB2 GLU 58 HB2 GLU 58 -8.198 -5.123 5.145 4 HB3 GLU 58 HB3 GLU 58 -9.007 -5.399 3.602 5 HG2 GLU 58 HG2 GLU 58 -8.030 -7.670 3.551 6 HG3 GLU 58 HG3 GLU 58 -7.354 -7.373 5.150 No H/Q in entry = 6 In of MODEL 5 1 H HIS 59 H HIS 59 -6.560 -2.690 3.782 2 HA HIS 59 HA HIS 59 -8.043 -1.907 1.430 3 HB2 HIS 59 HB2 HIS 59 -6.631 -0.371 3.591 4 HB3 HIS 59 HB3 HIS 59 -7.182 0.433 2.125 5 HD1 HIS 59 HD1 HIS 59 -9.920 -0.580 1.669 6 HD2 HIS 59 HD2 HIS 59 -8.464 0.128 5.502 7 HE1 HIS 59 HE1 HIS 59 -11.948 -0.276 3.118 8 HE2 HIS 59 HE2 HIS 59 -11.047 -0.012 5.454 No H/Q in entry = 8 In of MODEL 5 1 H LEU 60 H LEU 60 -4.649 -1.595 2.518 2 HA LEU 60 HA LEU 60 -3.592 -0.800 0.101 3 HB2 LEU 60 HB2 LEU 60 -2.458 -2.377 2.383 4 HB3 LEU 60 HB3 LEU 60 -1.507 -2.034 0.946 5 HG LEU 60 HG LEU 60 -1.983 0.371 1.318 6 HD11 LEU 60 HD11 LEU 60 -3.936 0.179 2.665 7 HD12 LEU 60 HD12 LEU 60 -2.977 -0.519 3.976 8 HD13 LEU 60 HD13 LEU 60 -2.698 1.150 3.466 9 HD21 LEU 60 HD21 LEU 60 -0.491 -1.056 3.500 10 HD22 LEU 60 HD22 LEU 60 0.161 -0.586 1.930 11 HD23 LEU 60 HD23 LEU 60 -0.314 0.652 3.091 No H/Q in entry = 11 In of MODEL 5 1 H LYS 61 H LYS 61 -4.514 -4.024 1.239 2 HA LYS 61 HA LYS 61 -3.457 -5.512 -0.877 3 HB2 LYS 61 HB2 LYS 61 -5.787 -5.906 0.966 4 HB3 LYS 61 HB3 LYS 61 -5.596 -6.976 -0.415 5 HG2 LYS 61 HG2 LYS 61 -3.416 -7.667 0.376 6 HG3 LYS 61 HG3 LYS 61 -3.516 -6.525 1.719 7 HD2 LYS 61 HD2 LYS 61 -5.401 -7.735 2.648 8 HD3 LYS 61 HD3 LYS 61 -5.419 -8.825 1.264 9 HE2 LYS 61 HE2 LYS 61 -3.269 -9.716 1.873 10 HE3 LYS 61 HE3 LYS 61 -3.095 -8.527 3.161 11 HZ1 LYS 61 HZ1 LYS 61 -5.176 -10.646 3.068 12 HZ2 LYS 61 HZ2 LYS 61 -3.763 -10.710 3.992 13 HZ3 LYS 61 HZ3 LYS 61 -4.936 -9.540 4.322 No H/Q in entry = 13 In of MODEL 5 1 H GLY 62 H GLY 62 -6.771 -4.201 -0.530 2 HA2 GLY 62 HA2 GLY 62 -8.212 -3.364 -2.105 3 HA3 GLY 62 HA3 GLY 62 -7.661 -4.692 -3.112 No H/Q in entry = 3 In of MODEL 5 1 H GLY 63 H GLY 63 -5.831 -1.884 -1.908 2 HA2 GLY 63 HA2 GLY 63 -4.503 -0.385 -3.033 3 HA3 GLY 63 HA3 GLY 63 -5.731 -0.425 -4.293 No H/Q in entry = 3 In of MODEL 5 1 H CYS 64 H CYS 64 -3.415 -2.817 -3.064 2 HA CYS 64 HA CYS 64 -1.796 -2.770 -5.404 3 HB2 CYS 64 HB2 CYS 64 -0.977 -3.421 -3.159 4 HB3 CYS 64 HB3 CYS 64 -1.975 -4.872 -3.238 No H/Q in entry = 4 In of MODEL 5 1 H ARG 65 H ARG 65 -4.642 -4.453 -4.458 2 HA ARG 65 HA ARG 65 -4.669 -6.578 -6.290 3 HB2 ARG 65 HB2 ARG 65 -6.210 -6.211 -4.337 4 HB3 ARG 65 HB3 ARG 65 -7.019 -4.970 -5.276 5 HG2 ARG 65 HG2 ARG 65 -7.610 -6.695 -6.955 6 HG3 ARG 65 HG3 ARG 65 -6.903 -7.913 -5.884 7 HD2 ARG 65 HD2 ARG 65 -8.446 -7.086 -4.086 8 HD3 ARG 65 HD3 ARG 65 -9.236 -6.096 -5.311 9 HE ARG 65 HE ARG 65 -9.281 -8.652 -6.312 10 HH11 ARG 65 HH11 ARG 65 -10.459 -7.013 -3.453 11 HH12 ARG 65 HH12 ARG 65 -11.765 -8.130 -3.194 12 HH21 ARG 65 HH21 ARG 65 -11.027 -10.117 -5.984 13 HH22 ARG 65 HH22 ARG 65 -12.087 -9.883 -4.630 No H/Q in entry = 13 In of MODEL 5 1 H GLU 66 H GLU 66 -5.257 -3.171 -6.638 2 HA GLU 66 HA GLU 66 -6.288 -3.507 -9.333 3 HB2 GLU 66 HB2 GLU 66 -5.718 -0.966 -7.797 4 HB3 GLU 66 HB3 GLU 66 -6.570 -1.084 -9.332 5 HG2 GLU 66 HG2 GLU 66 -7.477 -2.028 -6.631 6 HG3 GLU 66 HG3 GLU 66 -8.213 -0.806 -7.667 No H/Q in entry = 6 In of MODEL 5 1 H ILE 67 H ILE 67 -3.365 -2.651 -7.626 2 HA ILE 67 HA ILE 67 -2.077 -1.699 -10.029 3 HB ILE 67 HB ILE 67 -0.926 -2.228 -7.290 4 HG12 ILE 67 HG12 ILE 67 -1.560 0.374 -8.701 5 HG13 ILE 67 HG13 ILE 67 -2.539 -0.352 -7.432 6 HG21 ILE 67 HG21 ILE 67 0.745 -2.507 -9.117 7 HG22 ILE 67 HG22 ILE 67 0.390 -0.853 -9.636 8 HG23 ILE 67 HG23 ILE 67 1.096 -1.139 -8.047 9 HD11 ILE 67 HD11 ILE 67 0.297 0.604 -7.130 10 HD12 ILE 67 HD12 ILE 67 -1.150 1.450 -6.579 11 HD13 ILE 67 HD13 ILE 67 -0.704 -0.097 -5.858 No H/Q in entry = 11 In of MODEL 5 1 H LEU 68 H LEU 68 -1.062 -4.208 -7.709 2 HA LEU 68 HA LEU 68 0.811 -5.209 -9.602 3 HB2 LEU 68 HB2 LEU 68 1.215 -5.222 -7.165 4 HB3 LEU 68 HB3 LEU 68 -0.066 -6.403 -6.976 5 HG LEU 68 HG LEU 68 1.297 -7.923 -8.506 6 HD11 LEU 68 HD11 LEU 68 3.414 -5.875 -7.862 7 HD12 LEU 68 HD12 LEU 68 3.708 -7.458 -8.582 8 HD13 LEU 68 HD13 LEU 68 2.766 -6.253 -9.459 9 HD21 LEU 68 HD21 LEU 68 2.439 -7.138 -5.825 10 HD22 LEU 68 HD22 LEU 68 1.126 -8.281 -6.104 11 HD23 LEU 68 HD23 LEU 68 2.752 -8.651 -6.676 No H/Q in entry = 11 In of MODEL 5 1 H LYS 69 H LYS 69 -2.190 -6.452 -8.193 2 HA LYS 69 HA LYS 69 -2.229 -8.947 -9.360 3 HB2 LYS 69 HB2 LYS 69 -3.869 -7.980 -7.712 4 HB3 LYS 69 HB3 LYS 69 -4.604 -7.098 -9.034 5 HG2 LYS 69 HG2 LYS 69 -4.378 -10.075 -9.064 6 HG3 LYS 69 HG3 LYS 69 -5.709 -9.262 -8.256 7 HD2 LYS 69 HD2 LYS 69 -5.011 -8.802 -11.151 8 HD3 LYS 69 HD3 LYS 69 -6.144 -10.047 -10.624 9 HE2 LYS 69 HE2 LYS 69 -6.426 -7.115 -9.977 10 HE3 LYS 69 HE3 LYS 69 -7.213 -7.904 -11.340 11 HZ1 LYS 69 HZ1 LYS 69 -7.596 -8.662 -8.495 12 HZ2 LYS 69 HZ2 LYS 69 -8.662 -7.714 -9.397 13 HZ3 LYS 69 HZ3 LYS 69 -8.397 -9.323 -9.825 No H/Q in entry = 13 In of MODEL 5 1 H HIS 70 H HIS 70 -4.493 -6.569 -10.803 2 HA HIS 70 HA HIS 70 -4.459 -6.939 -13.334 3 HB2 HIS 70 HB2 HIS 70 -5.573 -5.049 -12.681 4 HB3 HIS 70 HB3 HIS 70 -4.219 -4.436 -11.749 5 HD1 HIS 70 HD1 HIS 70 -5.944 -4.068 -14.944 6 HD2 HIS 70 HD2 HIS 70 -2.179 -3.158 -13.404 7 HE1 HIS 70 HE1 HIS 70 -4.963 -2.363 -16.513 8 HE2 HIS 70 HE2 HIS 70 -2.658 -1.890 -15.612 No H/Q in entry = 8 In of MODEL 5 1 H VAL 71 H VAL 71 -1.426 -5.807 -11.818 2 HA VAL 71 HA VAL 71 -0.384 -4.968 -14.327 3 HB VAL 71 HB VAL 71 0.138 -4.148 -11.891 4 HG11 VAL 71 HG11 VAL 71 1.242 -6.287 -11.277 5 HG12 VAL 71 HG12 VAL 71 2.527 -5.860 -12.412 6 HG13 VAL 71 HG13 VAL 71 2.194 -4.820 -11.019 7 HG21 VAL 71 HG21 VAL 71 1.939 -4.175 -14.250 8 HG22 VAL 71 HG22 VAL 71 0.764 -2.952 -13.778 9 HG23 VAL 71 HG23 VAL 71 2.233 -3.184 -12.827 No H/Q in entry = 9 In of MODEL 5 1 H VAL 72 H VAL 72 0.249 -7.889 -12.323 2 HA VAL 72 HA VAL 72 1.644 -9.097 -14.570 3 HB VAL 72 HB VAL 72 1.918 -9.910 -12.170 4 HG11 VAL 72 HG11 VAL 72 -0.797 -11.087 -12.667 5 HG12 VAL 72 HG12 VAL 72 0.287 -11.585 -11.369 6 HG13 VAL 72 HG13 VAL 72 -0.342 -9.937 -11.406 7 HG21 VAL 72 HG21 VAL 72 2.720 -11.158 -14.088 8 HG22 VAL 72 HG22 VAL 72 2.168 -12.222 -12.796 9 HG23 VAL 72 HG23 VAL 72 1.154 -11.957 -14.214 No H/Q in entry = 9 In of MODEL 5 1 H GLY 73 H GLY 73 -1.569 -8.470 -13.578 2 HA2 GLY 73 HA2 GLY 73 -2.490 -9.851 -16.003 3 HA3 GLY 73 HA3 GLY 73 -3.260 -8.446 -15.279 No H/Q in entry = 3 In of MODEL 5 1 H GLU 74 H GLU 74 -5.209 -9.665 -15.416 2 HA GLU 74 HA GLU 74 -5.814 -10.988 -12.973 3 HB2 GLU 74 HB2 GLU 74 -7.379 -9.546 -14.289 4 HB3 GLU 74 HB3 GLU 74 -7.493 -10.836 -15.479 5 HG2 GLU 74 HG2 GLU 74 -8.448 -12.313 -13.803 6 HG3 GLU 74 HG3 GLU 74 -8.293 -11.047 -12.584 No H/Q in entry = 6 In of MODEL 5 1 H GLU 75 H GLU 75 -4.360 -12.047 -15.789 2 HA GLU 75 HA GLU 75 -5.237 -14.745 -15.853 3 HB2 GLU 75 HB2 GLU 75 -4.055 -13.906 -17.751 4 HB3 GLU 75 HB3 GLU 75 -2.698 -13.387 -16.765 5 HG2 GLU 75 HG2 GLU 75 -2.055 -15.660 -16.352 6 HG3 GLU 75 HG3 GLU 75 -3.494 -16.261 -17.184 No H/Q in entry = 6 In of MODEL 5 1 H LYS 76 H LYS 76 -2.133 -13.466 -14.676 2 HA LYS 76 HA LYS 76 -1.453 -15.945 -13.531 3 HB2 LYS 76 HB2 LYS 76 -0.169 -13.230 -13.130 4 HB3 LYS 76 HB3 LYS 76 0.535 -14.794 -12.756 5 HG2 LYS 76 HG2 LYS 76 -0.201 -13.799 -15.487 6 HG3 LYS 76 HG3 LYS 76 1.427 -13.985 -14.836 7 HD2 LYS 76 HD2 LYS 76 -0.541 -16.240 -15.242 8 HD3 LYS 76 HD3 LYS 76 0.764 -15.833 -16.352 9 HE2 LYS 76 HE2 LYS 76 2.395 -16.281 -14.584 10 HE3 LYS 76 HE3 LYS 76 1.083 -16.687 -13.480 11 HZ1 LYS 76 HZ1 LYS 76 0.460 -18.506 -14.943 12 HZ2 LYS 76 HZ2 LYS 76 1.732 -18.120 -15.997 13 HZ3 LYS 76 HZ3 LYS 76 2.070 -18.666 -14.432 No H/Q in entry = 13 In of MODEL 5 1 H ALA 77 H ALA 77 -2.582 -12.902 -12.162 2 HA ALA 77 HA ALA 77 -2.229 -13.595 -9.467 3 HB1 ALA 77 HB1 ALA 77 -4.271 -11.743 -10.688 4 HB2 ALA 77 HB2 ALA 77 -3.800 -11.801 -8.988 5 HB3 ALA 77 HB3 ALA 77 -2.628 -11.308 -10.210 No H/Q in entry = 5 In of MODEL 5 1 H ALA 78 H ALA 78 -4.756 -14.302 -11.779 2 HA ALA 78 HA ALA 78 -6.712 -15.271 -9.991 3 HB1 ALA 78 HB1 ALA 78 -7.397 -14.779 -12.202 4 HB2 ALA 78 HB2 ALA 78 -7.506 -16.534 -12.051 5 HB3 ALA 78 HB3 ALA 78 -6.141 -15.799 -12.903 No H/Q in entry = 5 In of MODEL 5 1 H GLU 79 H GLU 79 -4.033 -16.781 -11.719 2 HA GLU 79 HA GLU 79 -4.586 -19.434 -10.888 3 HB2 GLU 79 HB2 GLU 79 -1.869 -18.364 -11.644 4 HB3 GLU 79 HB3 GLU 79 -2.463 -20.010 -11.804 5 HG2 GLU 79 HG2 GLU 79 -4.159 -19.074 -13.440 6 HG3 GLU 79 HG3 GLU 79 -3.191 -17.600 -13.420 No H/Q in entry = 6 In of MODEL 5 1 H LEU 80 H LEU 80 -2.726 -16.798 -9.537 2 HA LEU 80 HA LEU 80 -1.455 -18.347 -7.507 3 HB2 LEU 80 HB2 LEU 80 -1.910 -15.371 -7.712 4 HB3 LEU 80 HB3 LEU 80 -0.798 -16.163 -6.607 5 HG LEU 80 HG LEU 80 -0.566 -16.422 -9.598 6 HD11 LEU 80 HD11 LEU 80 0.698 -14.399 -7.767 7 HD12 LEU 80 HD12 LEU 80 1.243 -14.737 -9.410 8 HD13 LEU 80 HD13 LEU 80 -0.374 -14.096 -9.130 9 HD21 LEU 80 HD21 LEU 80 0.540 -18.138 -8.271 10 HD22 LEU 80 HD22 LEU 80 1.717 -17.095 -9.070 11 HD23 LEU 80 HD23 LEU 80 1.383 -16.893 -7.349 No H/Q in entry = 11 In of MODEL 5 1 H LYS 81 H LYS 81 -4.336 -16.306 -7.669 2 HA LYS 81 HA LYS 81 -4.975 -16.473 -4.915 3 HB2 LYS 81 HB2 LYS 81 -5.886 -14.907 -6.841 4 HB3 LYS 81 HB3 LYS 81 -7.097 -16.168 -7.008 5 HG2 LYS 81 HG2 LYS 81 -6.525 -14.816 -4.387 6 HG3 LYS 81 HG3 LYS 81 -7.695 -14.192 -5.545 7 HD2 LYS 81 HD2 LYS 81 -7.796 -16.982 -4.409 8 HD3 LYS 81 HD3 LYS 81 -8.652 -15.610 -3.704 9 HE2 LYS 81 HE2 LYS 81 -9.811 -15.281 -5.870 10 HE3 LYS 81 HE3 LYS 81 -9.016 -16.731 -6.482 11 HZ1 LYS 81 HZ1 LYS 81 -10.834 -16.654 -4.135 12 HZ2 LYS 81 HZ2 LYS 81 -11.272 -17.163 -5.688 13 HZ3 LYS 81 HZ3 LYS 81 -10.124 -18.031 -4.806 No H/Q in entry = 13 In of MODEL 5 1 H ASN 82 H ASN 82 -5.926 -18.360 -7.763 2 HA ASN 82 HA ASN 82 -7.588 -20.155 -6.310 3 HB2 ASN 82 HB2 ASN 82 -7.638 -19.778 -8.832 4 HB3 ASN 82 HB3 ASN 82 -6.169 -20.737 -8.923 5 HD21 ASN 82 HD21 ASN 82 -9.576 -20.763 -8.472 6 HD22 ASN 82 HD22 ASN 82 -9.788 -22.476 -8.499 No H/Q in entry = 6 In of MODEL 5 1 H LEU 83 H LEU 83 -4.145 -20.006 -6.990 2 HA LEU 83 HA LEU 83 -3.506 -22.626 -6.217 3 HB2 LEU 83 HB2 LEU 83 -2.100 -20.056 -6.555 4 HB3 LEU 83 HB3 LEU 83 -1.348 -21.181 -5.459 5 HG LEU 83 HG LEU 83 -2.086 -21.873 -8.298 6 HD11 LEU 83 HD11 LEU 83 0.560 -20.961 -7.176 7 HD12 LEU 83 HD12 LEU 83 0.315 -21.632 -8.790 8 HD13 LEU 83 HD13 LEU 83 -0.443 -20.103 -8.347 9 HD21 LEU 83 HD21 LEU 83 -1.883 -23.786 -6.791 10 HD22 LEU 83 HD22 LEU 83 -0.563 -23.752 -7.960 11 HD23 LEU 83 HD23 LEU 83 -0.283 -23.232 -6.298 No H/Q in entry = 11 In of MODEL 5 1 H LYS 84 H LYS 84 -3.506 -19.573 -4.418 2 HA LYS 84 HA LYS 84 -2.921 -20.525 -1.887 3 HB2 LYS 84 HB2 LYS 84 -3.054 -18.147 -2.495 4 HB3 LYS 84 HB3 LYS 84 -4.798 -18.279 -2.648 5 HG2 LYS 84 HG2 LYS 84 -5.043 -18.655 -0.301 6 HG3 LYS 84 HG3 LYS 84 -3.294 -18.776 -0.089 7 HD2 LYS 84 HD2 LYS 84 -3.032 -16.449 -0.745 8 HD3 LYS 84 HD3 LYS 84 -4.765 -16.316 -1.041 9 HE2 LYS 84 HE2 LYS 84 -3.562 -17.007 1.633 10 HE3 LYS 84 HE3 LYS 84 -3.998 -15.369 1.144 11 HZ1 LYS 84 HZ1 LYS 84 -5.869 -17.666 1.340 12 HZ2 LYS 84 HZ2 LYS 84 -5.744 -16.401 2.451 13 HZ3 LYS 84 HZ3 LYS 84 -6.283 -16.093 0.880 No H/Q in entry = 13 In of MODEL 5 1 H ASP 85 H ASP 85 -6.152 -20.074 -3.327 2 HA ASP 85 HA ASP 85 -7.610 -21.095 -1.143 3 HB2 ASP 85 HB2 ASP 85 -8.510 -19.671 -3.006 4 HB3 ASP 85 HB3 ASP 85 -8.454 -21.097 -4.040 No H/Q in entry = 4 In of MODEL 5 1 H SER 86 H SER 86 -6.093 -22.760 -3.859 2 HA SER 86 HA SER 86 -7.527 -25.198 -3.278 3 HB2 SER 86 HB2 SER 86 -6.025 -26.212 -5.004 4 HB3 SER 86 HB3 SER 86 -6.933 -24.818 -5.584 5 HG SER 86 HG SER 86 -5.135 -23.633 -5.636 No H/Q in entry = 5 In of MODEL 5 1 H GLY 87 H GLY 87 -4.937 -23.624 -1.922 2 HA2 GLY 87 HA2 GLY 87 -4.151 -26.121 -0.560 3 HA3 GLY 87 HA3 GLY 87 -4.165 -24.535 0.196 No H/Q in entry = 3 In of MODEL 5 1 H ALA 88 H ALA 88 -2.878 -23.118 -1.930 2 HA ALA 88 HA ALA 88 -0.275 -24.337 -2.120 3 HB1 ALA 88 HB1 ALA 88 -1.204 -21.583 -2.920 4 HB2 ALA 88 HB2 ALA 88 -1.014 -22.983 -3.974 5 HB3 ALA 88 HB3 ALA 88 0.401 -22.238 -3.234 No H/Q in entry = 5 In of MODEL 5 1 H SER 89 H SER 89 1.374 -23.867 -0.882 2 HA SER 89 HA SER 89 1.175 -22.406 1.565 3 HB2 SER 89 HB2 SER 89 2.616 -24.374 1.429 4 HB3 SER 89 HB3 SER 89 3.537 -23.647 0.115 5 HG SER 89 HG SER 89 4.675 -23.387 2.024 No H/Q in entry = 5 In of MODEL 5 1 H LYS 90 H LYS 90 2.480 -20.523 2.086 2 HA LYS 90 HA LYS 90 2.385 -18.519 0.113 3 HB2 LYS 90 HB2 LYS 90 3.540 -17.094 1.718 4 HB3 LYS 90 HB3 LYS 90 2.253 -18.001 2.499 5 HG2 LYS 90 HG2 LYS 90 3.884 -19.554 3.408 6 HG3 LYS 90 HG3 LYS 90 5.184 -18.675 2.598 7 HD2 LYS 90 HD2 LYS 90 4.626 -16.673 3.895 8 HD3 LYS 90 HD3 LYS 90 3.327 -17.554 4.699 9 HE2 LYS 90 HE2 LYS 90 6.266 -18.217 4.836 10 HE3 LYS 90 HE3 LYS 90 5.326 -17.425 6.100 11 HZ1 LYS 90 HZ1 LYS 90 3.940 -19.436 6.216 12 HZ2 LYS 90 HZ2 LYS 90 4.947 -20.190 5.088 13 HZ3 LYS 90 HZ3 LYS 90 5.554 -19.744 6.597 No H/Q in entry = 13 In of MODEL 5 1 H GLU 91 H GLU 91 4.568 -21.007 0.552 2 HA GLU 91 HA GLU 91 6.884 -19.743 -0.581 3 HB2 GLU 91 HB2 GLU 91 6.228 -22.685 -0.436 4 HB3 GLU 91 HB3 GLU 91 7.822 -21.964 -0.612 5 HG2 GLU 91 HG2 GLU 91 7.800 -21.148 1.601 6 HG3 GLU 91 HG3 GLU 91 6.082 -21.500 1.789 No H/Q in entry = 6 In of MODEL 5 1 H GLU 92 H GLU 92 4.292 -21.839 -1.737 2 HA GLU 92 HA GLU 92 5.084 -22.063 -4.418 3 HB2 GLU 92 HB2 GLU 92 2.345 -22.222 -3.159 4 HB3 GLU 92 HB3 GLU 92 2.786 -22.825 -4.744 5 HG2 GLU 92 HG2 GLU 92 4.064 -23.780 -2.218 6 HG3 GLU 92 HG3 GLU 92 2.635 -24.518 -2.927 No H/Q in entry = 6 In of MODEL 5 1 H LEU 93 H LEU 93 3.074 -19.848 -2.605 2 HA LEU 93 HA LEU 93 2.589 -18.141 -4.846 3 HB2 LEU 93 HB2 LEU 93 2.634 -17.405 -1.912 4 HB3 LEU 93 HB3 LEU 93 1.884 -16.483 -3.209 5 HG LEU 93 HG LEU 93 1.016 -19.137 -2.083 6 HD11 LEU 93 HD11 LEU 93 -0.430 -16.540 -2.483 7 HD12 LEU 93 HD12 LEU 93 -1.117 -18.024 -1.819 8 HD13 LEU 93 HD13 LEU 93 0.167 -17.183 -0.951 9 HD21 LEU 93 HD21 LEU 93 0.090 -17.847 -4.645 10 HD22 LEU 93 HD22 LEU 93 0.936 -19.387 -4.484 11 HD23 LEU 93 HD23 LEU 93 -0.699 -19.209 -3.849 No H/Q in entry = 11 In of MODEL 5 1 H LYS 94 H LYS 94 5.204 -18.324 -2.381 2 HA LYS 94 HA LYS 94 6.241 -15.802 -3.113 3 HB2 LYS 94 HB2 LYS 94 6.774 -16.935 -0.980 4 HB3 LYS 94 HB3 LYS 94 7.686 -18.150 -1.856 5 HG2 LYS 94 HG2 LYS 94 9.180 -16.314 -2.671 6 HG3 LYS 94 HG3 LYS 94 8.344 -15.234 -1.552 7 HD2 LYS 94 HD2 LYS 94 8.996 -16.622 0.326 8 HD3 LYS 94 HD3 LYS 94 9.758 -17.779 -0.768 9 HE2 LYS 94 HE2 LYS 94 11.289 -15.965 -1.514 10 HE3 LYS 94 HE3 LYS 94 10.588 -14.924 -0.278 11 HZ1 LYS 94 HZ1 LYS 94 11.289 -16.584 1.393 12 HZ2 LYS 94 HZ2 LYS 94 12.071 -17.450 0.166 13 HZ3 LYS 94 HZ3 LYS 94 12.590 -15.890 0.555 No H/Q in entry = 13 In of MODEL 5 1 H ALA 95 H ALA 95 6.831 -19.029 -4.230 2 HA ALA 95 HA ALA 95 9.048 -18.176 -5.870 3 HB1 ALA 95 HB1 ALA 95 9.192 -20.301 -4.697 4 HB2 ALA 95 HB2 ALA 95 9.269 -20.539 -6.444 5 HB3 ALA 95 HB3 ALA 95 7.776 -20.890 -5.571 No H/Q in entry = 5 In of MODEL 5 1 H LYS 96 H LYS 96 5.819 -19.645 -6.424 2 HA LYS 96 HA LYS 96 6.132 -19.698 -9.241 3 HB2 LYS 96 HB2 LYS 96 3.856 -20.059 -7.374 4 HB3 LYS 96 HB3 LYS 96 3.503 -19.771 -9.064 5 HG2 LYS 96 HG2 LYS 96 3.549 -22.152 -8.534 6 HG3 LYS 96 HG3 LYS 96 4.809 -21.725 -9.691 7 HD2 LYS 96 HD2 LYS 96 6.500 -21.889 -8.071 8 HD3 LYS 96 HD3 LYS 96 5.342 -21.868 -6.746 9 HE2 LYS 96 HE2 LYS 96 4.477 -24.058 -7.529 10 HE3 LYS 96 HE3 LYS 96 5.730 -24.072 -8.768 11 HZ1 LYS 96 HZ1 LYS 96 7.371 -23.922 -6.909 12 HZ2 LYS 96 HZ2 LYS 96 6.096 -24.196 -5.823 13 HZ3 LYS 96 HZ3 LYS 96 6.504 -25.369 -6.977 No H/Q in entry = 13 In of MODEL 5 1 H VAL 97 H VAL 97 5.279 -17.196 -7.066 2 HA VAL 97 HA VAL 97 3.862 -15.466 -8.806 3 HB VAL 97 HB VAL 97 5.428 -15.058 -6.277 4 HG11 VAL 97 HG11 VAL 97 5.907 -13.102 -7.684 5 HG12 VAL 97 HG12 VAL 97 4.176 -12.835 -7.880 6 HG13 VAL 97 HG13 VAL 97 4.914 -12.694 -6.286 7 HG21 VAL 97 HG21 VAL 97 3.127 -15.951 -6.261 8 HG22 VAL 97 HG22 VAL 97 3.312 -14.436 -5.375 9 HG23 VAL 97 HG23 VAL 97 2.572 -14.436 -6.984 No H/Q in entry = 9 In of MODEL 5 1 H GLU 98 H GLU 98 7.309 -15.909 -8.088 2 HA GLU 98 HA GLU 98 8.166 -13.665 -9.569 3 HB2 GLU 98 HB2 GLU 98 9.679 -16.153 -8.776 4 HB3 GLU 98 HB3 GLU 98 10.416 -14.737 -9.519 5 HG2 GLU 98 HG2 GLU 98 9.275 -13.484 -7.518 6 HG3 GLU 98 HG3 GLU 98 9.301 -15.084 -6.777 No H/Q in entry = 6 In of MODEL 5 1 H GLU 99 H GLU 99 7.265 -16.883 -10.498 2 HA GLU 99 HA GLU 99 8.435 -16.836 -13.092 3 HB2 GLU 99 HB2 GLU 99 6.035 -18.324 -12.019 4 HB3 GLU 99 HB3 GLU 99 6.702 -18.571 -13.628 5 HG2 GLU 99 HG2 GLU 99 8.121 -19.045 -11.021 6 HG3 GLU 99 HG3 GLU 99 7.477 -20.279 -12.103 No H/Q in entry = 6 In of MODEL 5 1 H ALA 100 H ALA 100 5.353 -15.800 -11.765 2 HA ALA 100 HA ALA 100 4.220 -15.053 -14.271 3 HB1 ALA 100 HB1 ALA 100 3.464 -14.095 -11.517 4 HB2 ALA 100 HB2 ALA 100 2.921 -15.617 -12.227 5 HB3 ALA 100 HB3 ALA 100 2.458 -14.086 -12.964 No H/Q in entry = 5 In of MODEL 5 1 H LEU 101 H LEU 101 5.682 -13.235 -11.604 2 HA LEU 101 HA LEU 101 5.470 -10.719 -12.892 3 HB2 LEU 101 HB2 LEU 101 6.919 -11.713 -10.454 4 HB3 LEU 101 HB3 LEU 101 7.059 -10.054 -10.994 5 HG LEU 101 HG LEU 101 5.421 -10.411 -9.149 6 HD11 LEU 101 HD11 LEU 101 4.304 -9.343 -11.727 7 HD12 LEU 101 HD12 LEU 101 3.649 -9.026 -10.121 8 HD13 LEU 101 HD13 LEU 101 5.260 -8.449 -10.545 9 HD21 LEU 101 HD21 LEU 101 4.505 -12.565 -9.871 10 HD22 LEU 101 HD22 LEU 101 3.247 -11.357 -9.611 11 HD23 LEU 101 HD23 LEU 101 3.752 -11.767 -11.250 No H/Q in entry = 11 In of MODEL 5 1 H HIS 102 H HIS 102 7.634 -13.274 -13.354 2 HA HIS 102 HA HIS 102 9.680 -11.554 -14.533 3 HB2 HIS 102 HB2 HIS 102 9.406 -14.524 -14.229 4 HB3 HIS 102 HB3 HIS 102 10.560 -13.833 -15.364 5 HD1 HIS 102 HD1 HIS 102 12.074 -15.290 -13.475 6 HD2 HIS 102 HD2 HIS 102 10.595 -11.554 -12.416 7 HE1 HIS 102 HE1 HIS 102 13.456 -14.547 -11.513 8 HE2 HIS 102 HE2 HIS 102 12.661 -12.212 -11.010 No H/Q in entry = 8 In of MODEL 5 1 H ALA 103 H ALA 103 7.064 -13.742 -15.517 2 HA ALA 103 HA ALA 103 7.734 -13.841 -18.222 3 HB1 ALA 103 HB1 ALA 103 5.011 -14.200 -16.972 4 HB2 ALA 103 HB2 ALA 103 6.262 -15.443 -17.052 5 HB3 ALA 103 HB3 ALA 103 5.536 -14.821 -18.537 No H/Q in entry = 5 In of MODEL 5 1 H VAL 104 H VAL 104 6.459 -11.267 -16.473 2 HA VAL 104 HA VAL 104 4.799 -10.137 -18.500 3 HB VAL 104 HB VAL 104 4.218 -9.690 -16.253 4 HG11 VAL 104 HG11 VAL 104 7.034 -8.719 -15.942 5 HG12 VAL 104 HG12 VAL 104 5.770 -8.538 -14.726 6 HG13 VAL 104 HG13 VAL 104 6.301 -10.145 -15.207 7 HG21 VAL 104 HG21 VAL 104 5.495 -7.235 -17.437 8 HG22 VAL 104 HG22 VAL 104 3.851 -7.796 -17.718 9 HG23 VAL 104 HG23 VAL 104 4.326 -7.224 -16.119 No H/Q in entry = 9 In of MODEL 5 1 H THR 105 H THR 105 5.306 -8.418 -19.856 2 HA THR 105 HA THR 105 8.095 -7.504 -19.830 3 HB THR 105 HB THR 105 8.136 -7.787 -22.356 4 HG1 THR 105 HG1 THR 105 6.483 -9.950 -22.292 5 HG21 THR 105 HG21 THR 105 8.093 -10.264 -20.632 6 HG22 THR 105 HG22 THR 105 8.842 -10.136 -22.225 7 HG23 THR 105 HG23 THR 105 9.470 -9.189 -20.876 No H/Q in entry = 7 In of MODEL 5 1 H ASP 106 H ASP 106 4.912 -6.563 -19.949 2 HA ASP 106 HA ASP 106 5.339 -4.252 -21.585 3 HB2 ASP 106 HB2 ASP 106 3.080 -5.153 -21.229 4 HB3 ASP 106 HB3 ASP 106 3.228 -4.834 -19.509 No H/Q in entry = 4 In of MODEL 5 1 H GLU 107 H GLU 107 6.336 -2.476 -21.034 2 HA GLU 107 HA GLU 107 8.076 -2.562 -18.884 3 HB2 GLU 107 HB2 GLU 107 7.300 -0.188 -20.567 4 HB3 GLU 107 HB3 GLU 107 8.708 -0.271 -19.520 5 HG2 GLU 107 HG2 GLU 107 8.174 -1.939 -21.964 6 HG3 GLU 107 HG3 GLU 107 9.376 -0.663 -21.786 No H/Q in entry = 6 In of MODEL 5 1 H GLU 108 H GLU 108 5.200 -0.541 -19.286 2 HA GLU 108 HA GLU 108 5.388 0.921 -16.926 3 HB2 GLU 108 HB2 GLU 108 2.871 -0.078 -18.274 4 HB3 GLU 108 HB3 GLU 108 2.963 1.240 -17.115 5 HG2 GLU 108 HG2 GLU 108 4.378 2.492 -18.688 6 HG3 GLU 108 HG3 GLU 108 4.210 1.181 -19.854 No H/Q in entry = 6 In of MODEL 5 1 H LYS 109 H LYS 109 4.043 -2.282 -17.535 2 HA LYS 109 HA LYS 109 2.953 -2.716 -14.990 3 HB2 LYS 109 HB2 LYS 109 3.888 -4.628 -17.125 4 HB3 LYS 109 HB3 LYS 109 3.074 -5.149 -15.652 5 HG2 LYS 109 HG2 LYS 109 1.148 -3.721 -16.270 6 HG3 LYS 109 HG3 LYS 109 1.967 -3.335 -17.780 7 HD2 LYS 109 HD2 LYS 109 1.965 -5.728 -18.366 8 HD3 LYS 109 HD3 LYS 109 1.099 -6.077 -16.869 9 HE2 LYS 109 HE2 LYS 109 -0.505 -5.993 -18.629 10 HE3 LYS 109 HE3 LYS 109 -0.709 -4.541 -17.652 11 HZ1 LYS 109 HZ1 LYS 109 0.689 -3.372 -19.328 12 HZ2 LYS 109 HZ2 LYS 109 0.608 -4.759 -20.297 13 HZ3 LYS 109 HZ3 LYS 109 -0.801 -3.909 -19.917 No H/Q in entry = 13 In of MODEL 5 1 H LYS 110 H LYS 110 6.156 -3.461 -16.309 2 HA LYS 110 HA LYS 110 6.990 -4.876 -13.962 3 HB2 LYS 110 HB2 LYS 110 8.674 -3.678 -16.157 4 HB3 LYS 110 HB3 LYS 110 9.222 -4.841 -14.964 5 HG2 LYS 110 HG2 LYS 110 7.684 -6.507 -15.894 6 HG3 LYS 110 HG3 LYS 110 7.162 -5.332 -17.105 7 HD2 LYS 110 HD2 LYS 110 9.970 -6.390 -16.754 8 HD3 LYS 110 HD3 LYS 110 8.841 -6.857 -18.026 9 HE2 LYS 110 HE2 LYS 110 8.842 -4.608 -18.907 10 HE3 LYS 110 HE3 LYS 110 9.852 -4.056 -17.578 11 HZ1 LYS 110 HZ1 LYS 110 10.660 -6.012 -19.655 12 HZ2 LYS 110 HZ2 LYS 110 11.134 -4.389 -19.584 13 HZ3 LYS 110 HZ3 LYS 110 11.631 -5.470 -18.381 No H/Q in entry = 13 In of MODEL 5 1 H GLN 111 H GLN 111 6.886 -1.605 -14.910 2 HA GLN 111 HA GLN 111 8.762 -0.523 -13.092 3 HB2 GLN 111 HB2 GLN 111 7.094 0.489 -15.038 4 HB3 GLN 111 HB3 GLN 111 6.357 1.097 -13.563 5 HG2 GLN 111 HG2 GLN 111 9.242 1.478 -14.325 6 HG3 GLN 111 HG3 GLN 111 7.963 2.662 -14.581 7 HE21 GLN 111 HE21 GLN 111 9.993 1.088 -12.253 8 HE22 GLN 111 HE22 GLN 111 9.647 2.148 -10.932 No H/Q in entry = 8 In of MODEL 5 1 H TYR 112 H TYR 112 5.362 -1.468 -12.749 2 HA TYR 112 HA TYR 112 5.221 -0.487 -10.019 3 HB2 TYR 112 HB2 TYR 112 3.316 -2.262 -11.555 4 HB3 TYR 112 HB3 TYR 112 3.007 -1.578 -9.967 5 HD1 TYR 112 HD1 TYR 112 4.231 1.185 -10.578 6 HD2 TYR 112 HD2 TYR 112 1.479 -1.276 -12.682 7 HE1 TYR 112 HE1 TYR 112 3.263 3.182 -11.639 8 HE2 TYR 112 HE2 TYR 112 0.503 0.705 -13.751 9 HH TYR 112 HH TYR 112 1.985 3.760 -13.656 No H/Q in entry = 9 In of MODEL 5 1 H ILE 113 H ILE 113 6.033 -3.420 -11.667 2 HA ILE 113 HA ILE 113 5.816 -5.182 -9.478 3 HB ILE 113 HB ILE 113 7.613 -5.315 -11.891 4 HG12 ILE 113 HG12 ILE 113 4.927 -6.544 -11.252 5 HG13 ILE 113 HG13 ILE 113 5.227 -5.244 -12.399 6 HG21 ILE 113 HG21 ILE 113 6.925 -7.446 -9.867 7 HG22 ILE 113 HG22 ILE 113 7.772 -7.728 -11.388 8 HG23 ILE 113 HG23 ILE 113 8.511 -6.727 -10.138 9 HD11 ILE 113 HD11 ILE 113 6.555 -6.768 -13.759 10 HD12 ILE 113 HD12 ILE 113 6.221 -8.066 -12.615 11 HD13 ILE 113 HD13 ILE 113 4.903 -7.341 -13.531 No H/Q in entry = 11 In of MODEL 5 1 H ALA 114 H ALA 114 8.480 -3.208 -10.706 2 HA ALA 114 HA ALA 114 10.330 -3.854 -8.621 3 HB1 ALA 114 HB1 ALA 114 11.129 -2.993 -10.727 4 HB2 ALA 114 HB2 ALA 114 11.531 -1.842 -9.452 5 HB3 ALA 114 HB3 ALA 114 10.172 -1.523 -10.535 No H/Q in entry = 5 In of MODEL 5 1 H ASP 115 H ASP 115 7.879 -1.403 -9.126 2 HA ASP 115 HA ASP 115 8.706 0.279 -6.979 3 HB2 ASP 115 HB2 ASP 115 7.425 0.956 -9.058 4 HB3 ASP 115 HB3 ASP 115 6.005 0.229 -8.316 No H/Q in entry = 4 In of MODEL 5 1 H PHE 116 H PHE 116 5.863 -1.800 -7.425 2 HA PHE 116 HA PHE 116 5.247 -1.421 -4.590 3 HB2 PHE 116 HB2 PHE 116 3.631 -1.391 -6.930 4 HB3 PHE 116 HB3 PHE 116 3.149 -2.798 -5.988 5 HD1 PHE 116 HD1 PHE 116 2.208 -2.544 -3.770 6 HD2 PHE 116 HD2 PHE 116 3.228 0.826 -6.160 7 HE1 PHE 116 HE1 PHE 116 0.836 -1.118 -2.316 8 HE2 PHE 116 HE2 PHE 116 1.853 2.271 -4.697 9 HZ PHE 116 HZ PHE 116 0.651 1.285 -2.776 No H/Q in entry = 9 In of MODEL 5 1 H GLY 117 H GLY 117 6.290 -3.775 -6.836 2 HA2 GLY 117 HA2 GLY 117 6.824 -6.010 -6.575 3 HA3 GLY 117 HA3 GLY 117 5.161 -6.144 -6.042 No H/Q in entry = 3 In of MODEL 5 1 HA PRO 118 HA PRO 118 8.503 -7.199 -2.709 2 HB2 PRO 118 HB2 PRO 118 9.980 -5.060 -1.781 3 HB3 PRO 118 HB3 PRO 118 10.531 -6.213 -3.001 4 HG2 PRO 118 HG2 PRO 118 9.360 -3.487 -3.359 5 HG3 PRO 118 HG3 PRO 118 10.700 -4.256 -4.231 6 HD2 PRO 118 HD2 PRO 118 8.254 -4.068 -5.310 7 HD3 PRO 118 HD3 PRO 118 9.274 -5.495 -5.577 No H/Q in entry = 7 In of MODEL 5 1 H ALA 119 H ALA 119 6.894 -4.091 -2.613 2 HA ALA 119 HA ALA 119 6.607 -4.103 0.273 3 HB1 ALA 119 HB1 ALA 119 5.323 -2.046 -0.083 4 HB2 ALA 119 HB2 ALA 119 5.421 -2.287 -1.826 5 HB3 ALA 119 HB3 ALA 119 6.888 -1.987 -0.893 No H/Q in entry = 5 In of MODEL 5 1 H CYS 120 H CYS 120 4.636 -4.709 -2.577 2 HA CYS 120 HA CYS 120 2.192 -5.294 -1.394 3 HB2 CYS 120 HB2 CYS 120 3.570 -6.549 -3.768 4 HB3 CYS 120 HB3 CYS 120 1.922 -6.946 -3.299 No H/Q in entry = 4 In of MODEL 5 1 H LYS 121 H LYS 121 5.163 -7.171 -1.504 2 HA LYS 121 HA LYS 121 4.225 -9.648 -0.690 3 HB2 LYS 121 HB2 LYS 121 6.806 -8.297 0.107 4 HB3 LYS 121 HB3 LYS 121 6.457 -10.005 0.331 5 HG2 LYS 121 HG2 LYS 121 6.520 -8.601 -2.331 6 HG3 LYS 121 HG3 LYS 121 7.846 -9.544 -1.653 7 HD2 LYS 121 HD2 LYS 121 5.089 -10.660 -2.156 8 HD3 LYS 121 HD3 LYS 121 6.411 -10.759 -3.319 9 HE2 LYS 121 HE2 LYS 121 6.482 -11.868 -0.513 10 HE3 LYS 121 HE3 LYS 121 6.154 -12.811 -1.964 11 HZ1 LYS 121 HZ1 LYS 121 8.664 -11.320 -1.415 12 HZ2 LYS 121 HZ2 LYS 121 8.465 -12.992 -1.274 13 HZ3 LYS 121 HZ3 LYS 121 8.349 -12.251 -2.791 No H/Q in entry = 13 In of MODEL 5 1 H LYS 122 H LYS 122 5.300 -6.993 1.499 2 HA LYS 122 HA LYS 122 4.411 -8.390 3.813 3 HB2 LYS 122 HB2 LYS 122 4.768 -6.365 5.060 4 HB3 LYS 122 HB3 LYS 122 6.104 -6.602 3.951 5 HG2 LYS 122 HG2 LYS 122 5.095 -4.932 2.438 6 HG3 LYS 122 HG3 LYS 122 3.834 -4.652 3.641 7 HD2 LYS 122 HD2 LYS 122 6.798 -4.263 4.068 8 HD3 LYS 122 HD3 LYS 122 5.619 -2.978 3.808 9 HE2 LYS 122 HE2 LYS 122 4.504 -3.512 5.868 10 HE3 LYS 122 HE3 LYS 122 5.506 -4.940 6.095 11 HZ1 LYS 122 HZ1 LYS 122 7.434 -3.492 6.311 12 HZ2 LYS 122 HZ2 LYS 122 6.454 -2.129 6.131 13 HZ3 LYS 122 HZ3 LYS 122 6.267 -3.134 7.485 No H/Q in entry = 13 In of MODEL 5 1 H ILE 123 H ILE 123 2.849 -6.306 1.506 2 HA ILE 123 HA ILE 123 0.584 -5.645 3.039 3 HB ILE 123 HB ILE 123 0.914 -5.831 0.065 4 HG12 ILE 123 HG12 ILE 123 0.865 -3.524 2.021 5 HG13 ILE 123 HG13 ILE 123 2.284 -4.142 1.179 6 HG21 ILE 123 HG21 ILE 123 -1.395 -4.748 1.676 7 HG22 ILE 123 HG22 ILE 123 -1.167 -4.501 -0.057 8 HG23 ILE 123 HG23 ILE 123 -1.430 -6.126 0.574 9 HD11 ILE 123 HD11 ILE 123 -0.108 -2.926 -0.153 10 HD12 ILE 123 HD12 ILE 123 1.393 -2.077 0.208 11 HD13 ILE 123 HD13 ILE 123 1.392 -3.427 -0.928 No H/Q in entry = 11 In of MODEL 5 1 H TYR 124 H TYR 124 1.187 -8.172 0.747 2 HA TYR 124 HA TYR 124 -1.200 -9.691 1.310 3 HB2 TYR 124 HB2 TYR 124 1.203 -10.188 -0.451 4 HB3 TYR 124 HB3 TYR 124 -0.113 -11.340 -0.268 5 HD1 TYR 124 HD1 TYR 124 -2.530 -10.270 -0.675 6 HD2 TYR 124 HD2 TYR 124 1.116 -8.738 -2.244 7 HE1 TYR 124 HE1 TYR 124 -3.782 -9.117 -2.447 8 HE2 TYR 124 HE2 TYR 124 -0.128 -7.579 -4.021 9 HH TYR 124 HH TYR 124 -3.537 -7.260 -3.962 No H/Q in entry = 9 In of MODEL 5 1 H GLY 125 H GLY 125 0.438 -9.251 3.553 2 HA2 GLY 125 HA2 GLY 125 1.733 -10.283 5.214 3 HA3 GLY 125 HA3 GLY 125 2.864 -9.797 3.986 No H/Q in entry = 3 In of MODEL 5 1 H VAL 126 H VAL 126 1.957 -12.111 2.262 2 HA VAL 126 HA VAL 126 3.032 -14.450 3.448 3 HB VAL 126 HB VAL 126 3.563 -15.111 1.049 4 HG11 VAL 126 HG11 VAL 126 1.484 -15.752 2.143 5 HG12 VAL 126 HG12 VAL 126 0.747 -14.222 1.661 6 HG13 VAL 126 HG13 VAL 126 1.216 -15.402 0.436 7 HG21 VAL 126 HG21 VAL 126 3.862 -12.816 0.171 8 HG22 VAL 126 HG22 VAL 126 2.674 -13.744 -0.747 9 HG23 VAL 126 HG23 VAL 126 2.137 -12.525 0.405 No H/Q in entry = 9 In of MODEL 5 1 H HIS 127 H HIS 127 4.774 -13.010 4.607 2 HA HIS 127 HA HIS 127 7.246 -13.226 3.048 3 HB2 HIS 127 HB2 HIS 127 8.028 -11.039 3.657 4 HB3 HIS 127 HB3 HIS 127 6.437 -10.857 2.932 5 HD1 HIS 127 HD1 HIS 127 8.091 -9.037 5.154 6 HD2 HIS 127 HD2 HIS 127 4.624 -11.275 5.659 7 HE1 HIS 127 HE1 HIS 127 6.923 -8.039 7.143 8 HE2 HIS 127 HE2 HIS 127 4.752 -9.302 7.322 No H/Q in entry = 8 In of MODEL 5 1 H THR 128 H THR 128 9.117 -12.445 4.718 2 HA THR 128 HA THR 128 10.359 -12.969 6.531 3 HB THR 128 HB THR 128 7.798 -13.613 8.008 4 HG1 THR 128 HG1 THR 128 9.082 -11.100 7.554 5 HG21 THR 128 HG21 THR 128 10.482 -12.576 8.944 6 HG22 THR 128 HG22 THR 128 9.078 -12.868 9.968 7 HG23 THR 128 HG23 THR 128 9.880 -14.218 9.166 No H/Q in entry = 7 In of MODEL 5 1 H SER 129 H SER 129 10.053 -14.818 4.580 2 HA SER 129 HA SER 129 10.877 -17.171 5.991 3 HB2 SER 129 HB2 SER 129 8.438 -17.278 4.197 4 HB3 SER 129 HB3 SER 129 9.346 -18.699 4.710 5 HG SER 129 HG SER 129 8.615 -17.015 6.764 No H/Q in entry = 5 In of MODEL 6 1 HA2 GLY -4 HA2 GLY -4 -0.391 20.522 -14.418 2 HA3 GLY -4 HA3 GLY -4 0.810 21.488 -13.572 3 H1 GLY -4 H1 GLY -4 1.358 19.563 -15.756 4 H2 GLY -4 H2 GLY -4 2.526 20.460 -14.927 No H/Q in entry = 4 In of MODEL 6 1 H SER -3 H SER -3 -0.511 20.190 -11.851 2 HA SER -3 HA SER -3 1.318 18.201 -10.863 3 HB2 SER -3 HB2 SER -3 0.232 19.929 -9.402 4 HB3 SER -3 HB3 SER -3 -1.305 19.104 -9.653 5 HG SER -3 HG SER -3 -0.736 17.615 -8.273 No H/Q in entry = 5 In of MODEL 6 1 HA PRO -2 HA PRO -2 -1.096 14.825 -12.560 2 HB2 PRO -2 HB2 PRO -2 0.643 12.981 -11.189 3 HB3 PRO -2 HB3 PRO -2 0.584 13.355 -12.910 4 HG2 PRO -2 HG2 PRO -2 2.667 14.014 -11.239 5 HG3 PRO -2 HG3 PRO -2 2.305 14.828 -12.766 6 HD2 PRO -2 HD2 PRO -2 1.724 15.690 -9.974 7 HD3 PRO -2 HD3 PRO -2 2.163 16.660 -11.395 No H/Q in entry = 7 In of MODEL 6 1 H GLU -1 H GLU -1 -2.716 15.653 -10.880 2 HA GLU -1 HA GLU -1 -2.808 14.434 -8.318 3 HB2 GLU -1 HB2 GLU -1 -5.054 15.676 -9.914 4 HB3 GLU -1 HB3 GLU -1 -5.081 15.332 -8.192 5 HG2 GLU -1 HG2 GLU -1 -3.211 17.261 -9.550 6 HG3 GLU -1 HG3 GLU -1 -4.676 17.700 -8.674 No H/Q in entry = 6 In of MODEL 6 1 H PHE 0 H PHE 0 -3.961 13.515 -11.478 2 HA PHE 0 HA PHE 0 -4.453 10.848 -10.431 3 HB2 PHE 0 HB2 PHE 0 -6.668 12.025 -10.410 4 HB3 PHE 0 HB3 PHE 0 -6.525 12.229 -12.151 5 HD1 PHE 0 HD1 PHE 0 -6.704 9.677 -9.474 6 HD2 PHE 0 HD2 PHE 0 -7.185 10.521 -13.617 7 HE1 PHE 0 HE1 PHE 0 -7.714 7.458 -9.805 8 HE2 PHE 0 HE2 PHE 0 -8.195 8.303 -13.954 9 HZ PHE 0 HZ PHE 0 -8.460 6.768 -12.049 No H/Q in entry = 9 In of MODEL 6 1 H HIS 1 H HIS 1 -2.457 10.509 -11.565 2 HA HIS 1 HA HIS 1 -2.426 10.735 -14.430 3 HB2 HIS 1 HB2 HIS 1 -0.361 10.875 -12.986 4 HB3 HIS 1 HB3 HIS 1 -0.527 9.151 -12.690 5 HD1 HIS 1 HD1 HIS 1 0.930 7.796 -14.167 6 HD2 HIS 1 HD2 HIS 1 -0.276 11.325 -15.999 7 HE1 HIS 1 HE1 HIS 1 2.044 7.802 -16.418 8 HE2 HIS 1 HE2 HIS 1 1.416 10.011 -17.448 No H/Q in entry = 8 In of MODEL 6 1 H HIS 2 H HIS 2 -2.528 8.035 -12.117 2 HA HIS 2 HA HIS 2 -4.613 6.749 -13.542 3 HB2 HIS 2 HB2 HIS 2 -2.556 6.161 -14.947 4 HB3 HIS 2 HB3 HIS 2 -2.011 5.215 -13.567 5 HD1 HIS 2 HD1 HIS 2 -2.270 3.404 -15.725 6 HD2 HIS 2 HD2 HIS 2 -5.698 4.656 -13.727 7 HE1 HIS 2 HE1 HIS 2 -4.033 1.696 -16.265 8 HE2 HIS 2 HE2 HIS 2 -6.122 2.524 -15.129 No H/Q in entry = 8 In of MODEL 6 1 H PHE 3 H PHE 3 -1.823 5.810 -11.542 2 HA PHE 3 HA PHE 3 -3.716 4.814 -9.514 3 HB2 PHE 3 HB2 PHE 3 -0.924 3.875 -10.197 4 HB3 PHE 3 HB3 PHE 3 -1.778 3.384 -8.740 5 HD1 PHE 3 HD1 PHE 3 -3.806 1.993 -8.911 6 HD2 PHE 3 HD2 PHE 3 -1.407 2.909 -12.304 7 HE1 PHE 3 HE1 PHE 3 -4.838 0.128 -10.140 8 HE2 PHE 3 HE2 PHE 3 -2.437 1.050 -13.539 9 HZ PHE 3 HZ PHE 3 -4.153 -0.343 -12.456 No H/Q in entry = 9 In of MODEL 6 1 H THR 4 H THR 4 -3.544 7.304 -9.096 2 HA THR 4 HA THR 4 -1.158 8.064 -7.651 3 HB THR 4 HB THR 4 -2.484 10.215 -7.272 4 HG1 THR 4 HG1 THR 4 -4.360 10.471 -8.391 5 HG21 THR 4 HG21 THR 4 -1.923 9.311 -10.100 6 HG22 THR 4 HG22 THR 4 -2.100 10.987 -9.575 7 HG23 THR 4 HG23 THR 4 -0.754 10.014 -8.981 No H/Q in entry = 7 In of MODEL 6 1 H LEU 5 H LEU 5 -1.385 9.073 -5.487 2 HA LEU 5 HA LEU 5 -2.517 7.199 -3.688 3 HB2 LEU 5 HB2 LEU 5 -1.412 9.944 -3.104 4 HB3 LEU 5 HB3 LEU 5 -1.671 8.663 -1.936 5 HG LEU 5 HG LEU 5 0.302 8.558 -4.217 6 HD11 LEU 5 HD11 LEU 5 0.906 10.192 -2.497 7 HD12 LEU 5 HD12 LEU 5 0.745 8.944 -1.261 8 HD13 LEU 5 HD13 LEU 5 1.995 8.805 -2.496 9 HD21 LEU 5 HD21 LEU 5 -0.178 6.667 -1.913 10 HD22 LEU 5 HD22 LEU 5 -0.534 6.351 -3.611 11 HD23 LEU 5 HD23 LEU 5 1.137 6.551 -3.082 No H/Q in entry = 11 In of MODEL 6 1 H GLU 6 H GLU 6 -3.542 10.351 -4.860 2 HA GLU 6 HA GLU 6 -5.761 10.737 -3.191 3 HB2 GLU 6 HB2 GLU 6 -5.503 11.326 -6.147 4 HB3 GLU 6 HB3 GLU 6 -6.715 12.009 -5.072 5 HG2 GLU 6 HG2 GLU 6 -5.239 13.712 -5.053 6 HG3 GLU 6 HG3 GLU 6 -4.570 12.771 -3.731 No H/Q in entry = 6 In of MODEL 6 1 H SER 7 H SER 7 -5.411 8.768 -6.186 2 HA SER 7 HA SER 7 -8.046 8.009 -6.424 3 HB2 SER 7 HB2 SER 7 -6.269 7.587 -8.098 4 HB3 SER 7 HB3 SER 7 -5.628 6.312 -7.063 5 HG SER 7 HG SER 7 -8.106 5.685 -7.282 No H/Q in entry = 5 In of MODEL 6 1 H SER 8 H SER 8 -5.865 7.045 -3.924 2 HA SER 8 HA SER 8 -7.530 4.727 -3.326 3 HB2 SER 8 HB2 SER 8 -5.774 4.126 -1.658 4 HB3 SER 8 HB3 SER 8 -5.239 4.160 -3.344 5 HG SER 8 HG SER 8 -4.904 6.593 -2.223 No H/Q in entry = 5 In of MODEL 6 1 H LEU 9 H LEU 9 -7.324 7.982 -2.254 2 HA LEU 9 HA LEU 9 -7.004 7.640 0.471 3 HB2 LEU 9 HB2 LEU 9 -8.334 9.861 -1.025 4 HB3 LEU 9 HB3 LEU 9 -7.854 9.935 0.662 5 HG LEU 9 HG LEU 9 -5.923 9.386 -1.577 6 HD11 LEU 9 HD11 LEU 9 -6.978 11.524 -1.895 7 HD12 LEU 9 HD12 LEU 9 -6.596 11.988 -0.233 8 HD13 LEU 9 HD13 LEU 9 -5.299 11.722 -1.400 9 HD21 LEU 9 HD21 LEU 9 -5.528 10.220 1.299 10 HD22 LEU 9 HD22 LEU 9 -5.180 8.630 0.615 11 HD23 LEU 9 HD23 LEU 9 -4.247 10.041 0.100 No H/Q in entry = 11 In of MODEL 6 1 H ASP 10 H ASP 10 -9.990 7.511 -1.273 2 HA ASP 10 HA ASP 10 -11.428 7.195 1.263 3 HB2 ASP 10 HB2 ASP 10 -12.355 7.711 -1.553 4 HB3 ASP 10 HB3 ASP 10 -13.468 7.251 -0.268 No H/Q in entry = 4 In of MODEL 6 1 H THR 11 H THR 11 -9.785 5.251 -0.704 2 HA THR 11 HA THR 11 -11.634 3.030 -0.209 3 HB THR 11 HB THR 11 -10.597 1.909 -2.234 4 HG1 THR 11 HG1 THR 11 -9.953 4.531 -3.092 5 HG21 THR 11 HG21 THR 11 -12.864 2.829 -2.261 6 HG22 THR 11 HG22 THR 11 -12.224 4.413 -2.695 7 HG23 THR 11 HG23 THR 11 -12.068 3.062 -3.817 No H/Q in entry = 7 In of MODEL 6 1 H HIS 12 H HIS 12 -8.518 2.601 -1.657 2 HA HIS 12 HA HIS 12 -7.775 0.662 0.198 3 HB2 HIS 12 HB2 HIS 12 -5.954 2.146 -1.683 4 HB3 HIS 12 HB3 HIS 12 -5.610 0.601 -0.915 5 HD1 HIS 12 HD1 HIS 12 -7.799 -1.190 -1.482 6 HD2 HIS 12 HD2 HIS 12 -6.761 1.760 -4.219 7 HE1 HIS 12 HE1 HIS 12 -8.755 -1.941 -3.683 8 HE2 HIS 12 HE2 HIS 12 -8.257 -0.062 -5.280 No H/Q in entry = 8 In of MODEL 6 1 H LEU 13 H LEU 13 -7.032 4.109 0.133 2 HA LEU 13 HA LEU 13 -5.224 3.655 2.417 3 HB2 LEU 13 HB2 LEU 13 -5.142 5.554 0.151 4 HB3 LEU 13 HB3 LEU 13 -4.553 6.121 1.700 5 HG LEU 13 HG LEU 13 -2.686 5.303 0.422 6 HD11 LEU 13 HD11 LEU 13 -2.756 4.824 2.865 7 HD12 LEU 13 HD12 LEU 13 -3.343 3.207 2.480 8 HD13 LEU 13 HD13 LEU 13 -1.746 3.717 1.937 9 HD21 LEU 13 HD21 LEU 13 -4.215 2.716 0.181 10 HD22 LEU 13 HD22 LEU 13 -3.818 3.833 -1.126 11 HD23 LEU 13 HD23 LEU 13 -2.534 2.953 -0.297 No H/Q in entry = 11 In of MODEL 6 1 H LYS 14 H LYS 14 -8.136 3.973 2.444 2 HA LYS 14 HA LYS 14 -8.747 6.583 3.420 3 HB2 LYS 14 HB2 LYS 14 -10.961 5.725 3.877 4 HB3 LYS 14 HB3 LYS 14 -10.428 5.209 2.290 5 HG2 LYS 14 HG2 LYS 14 -9.858 3.003 3.251 6 HG3 LYS 14 HG3 LYS 14 -10.527 3.543 4.794 7 HD2 LYS 14 HD2 LYS 14 -12.705 3.837 3.802 8 HD3 LYS 14 HD3 LYS 14 -12.064 3.475 2.198 9 HE2 LYS 14 HE2 LYS 14 -11.493 1.207 2.969 10 HE3 LYS 14 HE3 LYS 14 -12.204 1.580 4.539 11 HZ1 LYS 14 HZ1 LYS 14 -14.330 1.939 3.435 12 HZ2 LYS 14 HZ2 LYS 14 -13.644 1.548 1.940 13 HZ3 LYS 14 HZ3 LYS 14 -13.754 0.374 3.153 No H/Q in entry = 13 In of MODEL 6 1 H TRP 15 H TRP 15 -7.350 3.878 4.855 2 HA TRP 15 HA TRP 15 -8.302 4.303 7.525 3 HB2 TRP 15 HB2 TRP 15 -6.518 2.683 8.151 4 HB3 TRP 15 HB3 TRP 15 -7.585 2.080 6.886 5 HD1 TRP 15 HD1 TRP 15 -6.573 1.859 4.431 6 HE1 TRP 15 HE1 TRP 15 -4.151 1.677 3.577 7 HE3 TRP 15 HE3 TRP 15 -4.120 3.457 8.616 8 HZ2 TRP 15 HZ2 TRP 15 -1.545 2.145 4.556 9 HZ3 TRP 15 HZ3 TRP 15 -1.662 3.561 8.577 10 HH2 TRP 15 HH2 TRP 15 -0.403 2.917 6.589 No H/Q in entry = 10 In of MODEL 6 1 H LEU 16 H LEU 16 -6.114 5.899 5.536 2 HA LEU 16 HA LEU 16 -4.277 6.810 7.551 3 HB2 LEU 16 HB2 LEU 16 -5.009 8.027 4.878 4 HB3 LEU 16 HB3 LEU 16 -3.677 8.542 5.888 5 HG LEU 16 HG LEU 16 -3.882 5.814 4.603 6 HD11 LEU 16 HD11 LEU 16 -2.319 8.259 3.781 7 HD12 LEU 16 HD12 LEU 16 -2.168 6.658 3.060 8 HD13 LEU 16 HD13 LEU 16 -3.682 7.550 2.917 9 HD21 LEU 16 HD21 LEU 16 -1.622 7.210 6.038 10 HD22 LEU 16 HD22 LEU 16 -2.490 5.776 6.585 11 HD23 LEU 16 HD23 LEU 16 -1.470 5.696 5.145 No H/Q in entry = 11 In of MODEL 6 1 H SER 17 H SER 17 -4.336 8.708 8.662 2 HA SER 17 HA SER 17 -6.919 9.890 9.097 3 HB2 SER 17 HB2 SER 17 -4.256 10.830 10.170 4 HB3 SER 17 HB3 SER 17 -5.852 11.164 10.838 5 HG SER 17 HG SER 17 -4.228 9.048 11.267 No H/Q in entry = 5 In of MODEL 6 1 H GLN 18 H GLN 18 -7.288 12.280 8.880 2 HA GLN 18 HA GLN 18 -6.815 13.110 6.272 3 HB2 GLN 18 HB2 GLN 18 -8.612 14.041 7.687 4 HB3 GLN 18 HB3 GLN 18 -7.410 14.858 8.676 5 HG2 GLN 18 HG2 GLN 18 -8.466 16.399 7.130 6 HG3 GLN 18 HG3 GLN 18 -6.750 16.225 6.772 7 HE21 GLN 18 HE21 GLN 18 -6.116 15.230 4.874 8 HE22 GLN 18 HE22 GLN 18 -7.215 14.905 3.578 No H/Q in entry = 8 In of MODEL 6 1 H GLU 19 H GLU 19 -5.108 14.053 9.234 2 HA GLU 19 HA GLU 19 -3.315 15.821 8.105 3 HB2 GLU 19 HB2 GLU 19 -1.966 15.385 10.079 4 HB3 GLU 19 HB3 GLU 19 -3.643 15.563 10.508 5 HG2 GLU 19 HG2 GLU 19 -3.860 13.159 10.720 6 HG3 GLU 19 HG3 GLU 19 -2.182 12.953 10.225 No H/Q in entry = 6 In of MODEL 6 1 H GLN 20 H GLN 20 -3.204 12.292 8.306 2 HA GLN 20 HA GLN 20 -0.526 12.053 7.347 3 HB2 GLN 20 HB2 GLN 20 -2.761 10.013 7.374 4 HB3 GLN 20 HB3 GLN 20 -1.056 9.665 7.104 5 HG2 GLN 20 HG2 GLN 20 -0.498 10.315 9.329 6 HG3 GLN 20 HG3 GLN 20 -2.126 10.924 9.613 7 HE21 GLN 20 HE21 GLN 20 -1.444 7.940 7.925 8 HE22 GLN 20 HE22 GLN 20 -2.069 6.887 9.148 No H/Q in entry = 8 In of MODEL 6 1 H LYS 21 H LYS 21 -3.737 11.927 5.835 2 HA LYS 21 HA LYS 21 -2.866 11.261 3.240 3 HB2 LYS 21 HB2 LYS 21 -5.247 12.923 4.098 4 HB3 LYS 21 HB3 LYS 21 -5.006 12.271 2.484 5 HG2 LYS 21 HG2 LYS 21 -5.102 10.003 3.378 6 HG3 LYS 21 HG3 LYS 21 -5.326 10.653 5.003 7 HD2 LYS 21 HD2 LYS 21 -7.424 11.674 4.335 8 HD3 LYS 21 HD3 LYS 21 -7.186 11.131 2.673 9 HE2 LYS 21 HE2 LYS 21 -7.298 8.814 3.396 10 HE3 LYS 21 HE3 LYS 21 -7.471 9.326 5.073 11 HZ1 LYS 21 HZ1 LYS 21 -9.393 9.912 2.888 12 HZ2 LYS 21 HZ2 LYS 21 -9.599 8.740 4.088 13 HZ3 LYS 21 HZ3 LYS 21 -9.565 10.375 4.506 No H/Q in entry = 13 In of MODEL 6 1 H ASP 22 H ASP 22 -3.431 14.368 4.804 2 HA ASP 22 HA ASP 22 -2.660 16.021 2.651 3 HB2 ASP 22 HB2 ASP 22 -3.971 16.752 4.631 4 HB3 ASP 22 HB3 ASP 22 -2.515 16.616 5.609 No H/Q in entry = 4 In of MODEL 6 1 H GLU 23 H GLU 23 -0.731 14.438 5.210 2 HA GLU 23 HA GLU 23 1.728 15.627 4.633 3 HB2 GLU 23 HB2 GLU 23 0.949 12.878 5.564 4 HB3 GLU 23 HB3 GLU 23 2.605 13.406 5.413 5 HG2 GLU 23 HG2 GLU 23 0.536 14.686 7.133 6 HG3 GLU 23 HG3 GLU 23 1.787 13.585 7.697 No H/Q in entry = 6 In of MODEL 6 1 H LEU 24 H LEU 24 0.309 12.617 3.289 2 HA LEU 24 HA LEU 24 2.404 12.124 1.499 3 HB2 LEU 24 HB2 LEU 24 -0.426 11.243 1.791 4 HB3 LEU 24 HB3 LEU 24 0.416 10.870 0.299 5 HG LEU 24 HG LEU 24 2.113 9.662 1.553 6 HD11 LEU 24 HD11 LEU 24 1.829 11.058 3.636 7 HD12 LEU 24 HD12 LEU 24 0.536 9.928 4.037 8 HD13 LEU 24 HD13 LEU 24 2.188 9.338 3.798 9 HD21 LEU 24 HD21 LEU 24 -0.691 8.835 2.211 10 HD22 LEU 24 HD22 LEU 24 0.197 8.442 0.738 11 HD23 LEU 24 HD23 LEU 24 0.724 7.790 2.287 No H/Q in entry = 11 In of MODEL 6 1 H LEU 25 H LEU 25 -0.688 13.825 1.073 2 HA LEU 25 HA LEU 25 -0.403 14.362 -1.662 3 HB2 LEU 25 HB2 LEU 25 -1.824 15.989 0.448 4 HB3 LEU 25 HB3 LEU 25 -2.048 16.149 -1.282 5 HG LEU 25 HG LEU 25 -2.753 13.744 0.395 6 HD11 LEU 25 HD11 LEU 25 -4.471 15.718 -1.095 7 HD12 LEU 25 HD12 LEU 25 -5.048 14.270 -0.270 8 HD13 LEU 25 HD13 LEU 25 -4.312 15.579 0.656 9 HD21 LEU 25 HD21 LEU 25 -3.017 14.168 -2.577 10 HD22 LEU 25 HD22 LEU 25 -1.947 13.022 -1.774 11 HD23 LEU 25 HD23 LEU 25 -3.694 12.817 -1.673 No H/Q in entry = 11 In of MODEL 6 1 H LYS 26 H LYS 26 0.681 16.122 1.193 2 HA LYS 26 HA LYS 26 1.781 18.365 -0.078 3 HB2 LYS 26 HB2 LYS 26 1.499 18.438 2.272 4 HB3 LYS 26 HB3 LYS 26 2.396 16.946 2.500 5 HG2 LYS 26 HG2 LYS 26 4.458 18.078 1.842 6 HG3 LYS 26 HG3 LYS 26 3.558 19.575 1.604 7 HD2 LYS 26 HD2 LYS 26 4.748 19.461 3.782 8 HD3 LYS 26 HD3 LYS 26 3.006 19.684 3.939 9 HE2 LYS 26 HE2 LYS 26 2.720 17.326 4.444 10 HE3 LYS 26 HE3 LYS 26 4.443 17.043 4.193 11 HZ1 LYS 26 HZ1 LYS 26 3.359 18.878 6.253 12 HZ2 LYS 26 HZ2 LYS 26 3.755 17.262 6.557 13 HZ3 LYS 26 HZ3 LYS 26 4.959 18.358 6.090 No H/Q in entry = 13 In of MODEL 6 1 H MET 27 H MET 27 3.315 15.340 0.954 2 HA MET 27 HA MET 27 5.826 15.800 -0.095 3 HB2 MET 27 HB2 MET 27 4.388 13.157 0.145 4 HB3 MET 27 HB3 MET 27 6.125 13.364 -0.039 5 HG2 MET 27 HG2 MET 27 6.247 14.497 2.094 6 HG3 MET 27 HG3 MET 27 4.498 14.392 2.269 7 HE1 MET 27 HE1 MET 27 7.837 12.429 2.046 8 HE2 MET 27 HE2 MET 27 7.326 10.762 2.320 9 HE3 MET 27 HE3 MET 27 6.875 11.589 0.829 No H/Q in entry = 9 In of MODEL 6 1 H LYS 28 H LYS 28 3.126 14.047 -1.653 2 HA LYS 28 HA LYS 28 4.422 13.430 -4.036 3 HB2 LYS 28 HB2 LYS 28 2.385 12.353 -3.361 4 HB3 LYS 28 HB3 LYS 28 1.519 13.879 -3.350 5 HG2 LYS 28 HG2 LYS 28 1.656 14.016 -5.756 6 HG3 LYS 28 HG3 LYS 28 2.638 12.551 -5.807 7 HD2 LYS 28 HD2 LYS 28 0.823 11.226 -4.970 8 HD3 LYS 28 HD3 LYS 28 -0.149 12.666 -4.666 9 HE2 LYS 28 HE2 LYS 28 0.795 11.836 -7.397 10 HE3 LYS 28 HE3 LYS 28 -0.764 11.374 -6.724 11 HZ1 LYS 28 HZ1 LYS 28 0.108 14.190 -7.010 12 HZ2 LYS 28 HZ2 LYS 28 -0.794 13.373 -8.185 13 HZ3 LYS 28 HZ3 LYS 28 -1.446 13.621 -6.637 No H/Q in entry = 13 In of MODEL 6 1 H LYS 29 H LYS 29 2.468 16.269 -3.172 2 HA LYS 29 HA LYS 29 2.692 17.412 -5.760 3 HB2 LYS 29 HB2 LYS 29 0.829 17.834 -4.156 4 HB3 LYS 29 HB3 LYS 29 1.927 18.830 -3.214 5 HG2 LYS 29 HG2 LYS 29 2.039 20.479 -4.856 6 HG3 LYS 29 HG3 LYS 29 1.448 19.396 -6.116 7 HD2 LYS 29 HD2 LYS 29 -0.203 20.340 -3.774 8 HD3 LYS 29 HD3 LYS 29 -0.222 21.093 -5.369 9 HE2 LYS 29 HE2 LYS 29 -0.930 18.945 -6.345 10 HE3 LYS 29 HE3 LYS 29 -0.965 18.239 -4.732 11 HZ1 LYS 29 HZ1 LYS 29 -2.641 20.522 -5.620 12 HZ2 LYS 29 HZ2 LYS 29 -3.165 18.918 -5.507 13 HZ3 LYS 29 HZ3 LYS 29 -2.707 19.761 -4.113 No H/Q in entry = 13 In of MODEL 6 1 H ASP 30 H ASP 30 4.729 17.641 -2.930 2 HA ASP 30 HA ASP 30 6.073 19.972 -3.999 3 HB2 ASP 30 HB2 ASP 30 6.359 18.388 -1.484 4 HB3 ASP 30 HB3 ASP 30 7.722 19.365 -2.020 No H/Q in entry = 4 In of MODEL 6 1 H GLY 31 H GLY 31 6.043 17.007 -5.021 2 HA2 GLY 31 HA2 GLY 31 8.511 17.513 -6.438 3 HA3 GLY 31 HA3 GLY 31 7.306 16.297 -6.834 No H/Q in entry = 3 In of MODEL 6 1 H LYS 32 H LYS 32 7.467 15.541 -3.854 2 HA LYS 32 HA LYS 32 10.020 14.312 -3.593 3 HB2 LYS 32 HB2 LYS 32 7.420 13.576 -2.221 4 HB3 LYS 32 HB3 LYS 32 9.036 13.112 -1.707 5 HG2 LYS 32 HG2 LYS 32 7.991 15.936 -1.812 6 HG3 LYS 32 HG3 LYS 32 8.108 14.943 -0.361 7 HD2 LYS 32 HD2 LYS 32 10.528 15.462 -2.051 8 HD3 LYS 32 HD3 LYS 32 9.977 16.660 -0.881 9 HE2 LYS 32 HE2 LYS 32 10.500 13.784 -0.166 10 HE3 LYS 32 HE3 LYS 32 11.735 15.040 -0.065 11 HZ1 LYS 32 HZ1 LYS 32 9.133 15.139 1.361 12 HZ2 LYS 32 HZ2 LYS 32 10.582 14.612 2.054 13 HZ3 LYS 32 HZ3 LYS 32 10.428 16.213 1.533 No H/Q in entry = 13 In of MODEL 6 1 H ALA 33 H ALA 33 10.482 12.133 -3.841 2 HA ALA 33 HA ALA 33 9.442 11.038 -6.269 3 HB1 ALA 33 HB1 ALA 33 11.815 10.838 -5.624 4 HB2 ALA 33 HB2 ALA 33 11.073 9.270 -5.949 5 HB3 ALA 33 HB3 ALA 33 11.339 9.789 -4.285 No H/Q in entry = 5 In of MODEL 6 1 H LYS 34 H LYS 34 8.342 9.047 -6.550 2 HA LYS 34 HA LYS 34 6.291 8.445 -4.764 3 HB2 LYS 34 HB2 LYS 34 7.581 6.569 -6.756 4 HB3 LYS 34 HB3 LYS 34 5.988 6.376 -6.035 5 HG2 LYS 34 HG2 LYS 34 6.834 8.626 -7.851 6 HG3 LYS 34 HG3 LYS 34 5.847 7.238 -8.312 7 HD2 LYS 34 HD2 LYS 34 4.107 7.927 -6.771 8 HD3 LYS 34 HD3 LYS 34 5.107 9.263 -6.200 9 HE2 LYS 34 HE2 LYS 34 4.118 8.929 -9.029 10 HE3 LYS 34 HE3 LYS 34 3.371 9.966 -7.815 11 HZ1 LYS 34 HZ1 LYS 34 5.479 11.193 -7.677 12 HZ2 LYS 34 HZ2 LYS 34 6.114 10.242 -8.920 13 HZ3 LYS 34 HZ3 LYS 34 4.800 11.261 -9.221 No H/Q in entry = 13 In of MODEL 6 1 H LYS 35 H LYS 35 9.554 7.242 -4.993 2 HA LYS 35 HA LYS 35 9.480 5.068 -3.256 3 HB2 LYS 35 HB2 LYS 35 11.759 7.038 -3.422 4 HB3 LYS 35 HB3 LYS 35 11.847 5.326 -3.035 5 HG2 LYS 35 HG2 LYS 35 11.225 6.565 -5.705 6 HG3 LYS 35 HG3 LYS 35 12.661 5.647 -5.255 7 HD2 LYS 35 HD2 LYS 35 9.867 4.522 -5.260 8 HD3 LYS 35 HD3 LYS 35 10.997 4.369 -6.604 9 HE2 LYS 35 HE2 LYS 35 12.513 3.090 -5.277 10 HE3 LYS 35 HE3 LYS 35 11.590 3.416 -3.809 11 HZ1 LYS 35 HZ1 LYS 35 10.515 1.933 -6.142 12 HZ2 LYS 35 HZ2 LYS 35 11.204 1.186 -4.778 13 HZ3 LYS 35 HZ3 LYS 35 9.792 2.118 -4.615 No H/Q in entry = 13 In of MODEL 6 1 H GLU 36 H GLU 36 9.160 8.440 -2.551 2 HA GLU 36 HA GLU 36 9.906 8.094 0.235 3 HB2 GLU 36 HB2 GLU 36 8.918 10.584 -1.150 4 HB3 GLU 36 HB3 GLU 36 9.734 10.486 0.407 5 HG2 GLU 36 HG2 GLU 36 11.724 9.576 -0.764 6 HG3 GLU 36 HG3 GLU 36 10.899 9.860 -2.285 No H/Q in entry = 6 In of MODEL 6 1 H LEU 37 H LEU 37 7.155 8.441 -1.795 2 HA LEU 37 HA LEU 37 5.221 8.780 0.262 3 HB2 LEU 37 HB2 LEU 37 5.087 7.983 -2.632 4 HB3 LEU 37 HB3 LEU 37 3.659 8.098 -1.625 5 HG LEU 37 HG LEU 37 3.957 10.086 -2.966 6 HD11 LEU 37 HD11 LEU 37 2.913 10.267 -0.751 7 HD12 LEU 37 HD12 LEU 37 4.494 10.651 -0.068 8 HD13 LEU 37 HD13 LEU 37 3.743 11.750 -1.223 9 HD21 LEU 37 HD21 LEU 37 6.354 10.113 -3.227 10 HD22 LEU 37 HD22 LEU 37 5.777 11.652 -2.590 11 HD23 LEU 37 HD23 LEU 37 6.543 10.484 -1.515 No H/Q in entry = 11 In of MODEL 6 1 H GLU 38 H GLU 38 6.373 5.976 -1.609 2 HA GLU 38 HA GLU 38 4.699 4.051 -0.421 3 HB2 GLU 38 HB2 GLU 38 6.269 2.391 -1.207 4 HB3 GLU 38 HB3 GLU 38 6.133 3.646 -2.433 5 HG2 GLU 38 HG2 GLU 38 8.214 4.626 -1.704 6 HG3 GLU 38 HG3 GLU 38 8.336 3.458 -0.396 No H/Q in entry = 6 In of MODEL 6 1 H ALA 39 H ALA 39 7.223 5.889 0.806 2 HA ALA 39 HA ALA 39 8.019 3.998 2.851 3 HB1 ALA 39 HB1 ALA 39 8.986 6.800 2.322 4 HB2 ALA 39 HB2 ALA 39 9.702 5.638 3.437 5 HB3 ALA 39 HB3 ALA 39 9.718 5.321 1.701 No H/Q in entry = 5 In of MODEL 6 1 H LYS 40 H LYS 40 6.360 7.105 2.617 2 HA LYS 40 HA LYS 40 6.084 7.589 5.352 3 HB2 LYS 40 HB2 LYS 40 5.612 9.033 3.203 4 HB3 LYS 40 HB3 LYS 40 3.993 8.371 3.360 5 HG2 LYS 40 HG2 LYS 40 4.193 10.564 4.400 6 HG3 LYS 40 HG3 LYS 40 3.794 9.314 5.581 7 HD2 LYS 40 HD2 LYS 40 5.861 9.409 6.582 8 HD3 LYS 40 HD3 LYS 40 6.655 9.995 5.122 9 HE2 LYS 40 HE2 LYS 40 5.676 12.174 5.405 10 HE3 LYS 40 HE3 LYS 40 4.721 11.605 6.775 11 HZ1 LYS 40 HZ1 LYS 40 7.687 11.735 6.688 12 HZ2 LYS 40 HZ2 LYS 40 6.687 12.851 7.466 13 HZ3 LYS 40 HZ3 LYS 40 6.750 11.254 8.012 No H/Q in entry = 13 In of MODEL 6 1 H ILE 41 H ILE 41 3.918 5.998 3.007 2 HA ILE 41 HA ILE 41 1.878 5.306 4.779 3 HB ILE 41 HB ILE 41 2.800 3.860 2.296 4 HG12 ILE 41 HG12 ILE 41 0.620 5.914 2.687 5 HG13 ILE 41 HG13 ILE 41 2.201 6.249 1.987 6 HG21 ILE 41 HG21 ILE 41 0.191 3.704 3.795 7 HG22 ILE 41 HG22 ILE 41 0.516 2.951 2.233 8 HG23 ILE 41 HG23 ILE 41 1.402 2.430 3.666 9 HD11 ILE 41 HD11 ILE 41 1.712 4.711 0.166 10 HD12 ILE 41 HD12 ILE 41 0.122 4.395 0.868 11 HD13 ILE 41 HD13 ILE 41 0.521 6.009 0.273 No H/Q in entry = 11 In of MODEL 6 1 H LEU 42 H LEU 42 4.735 3.439 3.755 2 HA LEU 42 HA LEU 42 4.103 1.121 5.209 3 HB2 LEU 42 HB2 LEU 42 6.745 2.196 4.261 4 HB3 LEU 42 HB3 LEU 42 6.564 0.629 5.023 5 HG LEU 42 HG LEU 42 5.346 1.505 2.409 6 HD11 LEU 42 HD11 LEU 42 7.515 -0.461 3.093 7 HD12 LEU 42 HD12 LEU 42 6.772 -0.304 1.502 8 HD13 LEU 42 HD13 LEU 42 7.679 1.044 2.186 9 HD21 LEU 42 HD21 LEU 42 5.006 -1.020 4.005 10 HD22 LEU 42 HD22 LEU 42 3.755 0.065 3.403 11 HD23 LEU 42 HD23 LEU 42 4.676 -0.931 2.273 No H/Q in entry = 11 In of MODEL 6 1 H HIS 43 H HIS 43 5.815 4.047 6.097 2 HA HIS 43 HA HIS 43 6.650 3.245 8.673 3 HB2 HIS 43 HB2 HIS 43 7.498 5.287 7.616 4 HB3 HIS 43 HB3 HIS 43 5.888 5.995 7.642 5 HD1 HIS 43 HD1 HIS 43 8.593 4.861 10.050 6 HD2 HIS 43 HD2 HIS 43 5.308 7.403 9.898 7 HE1 HIS 43 HE1 HIS 43 8.628 6.145 12.208 8 HE2 HIS 43 HE2 HIS 43 6.522 7.518 12.177 No H/Q in entry = 8 In of MODEL 6 1 H TYR 44 H TYR 44 3.701 5.004 7.622 2 HA TYR 44 HA TYR 44 2.421 5.124 10.106 3 HB2 TYR 44 HB2 TYR 44 1.191 4.827 7.350 4 HB3 TYR 44 HB3 TYR 44 0.313 5.304 8.797 5 HD1 TYR 44 HD1 TYR 44 2.305 7.139 10.014 6 HD2 TYR 44 HD2 TYR 44 1.016 6.725 5.988 7 HE1 TYR 44 HE1 TYR 44 2.888 9.470 9.599 8 HE2 TYR 44 HE2 TYR 44 1.606 9.075 5.545 9 HH TYR 44 HH TYR 44 1.905 11.154 6.797 No H/Q in entry = 9 In of MODEL 6 1 H TYR 45 H TYR 45 2.449 2.691 7.616 2 HA TYR 45 HA TYR 45 0.492 0.935 8.499 3 HB2 TYR 45 HB2 TYR 45 1.469 0.973 6.259 4 HB3 TYR 45 HB3 TYR 45 3.018 0.469 6.909 5 HD1 TYR 45 HD1 TYR 45 -0.482 -0.627 6.543 6 HD2 TYR 45 HD2 TYR 45 3.576 -1.783 6.978 7 HE1 TYR 45 HE1 TYR 45 -1.131 -2.962 6.214 8 HE2 TYR 45 HE2 TYR 45 2.950 -4.138 6.633 9 HH TYR 45 HH TYR 45 0.723 -5.511 7.024 No H/Q in entry = 9 In of MODEL 6 1 H ASP 46 H ASP 46 3.996 0.950 9.180 2 HA ASP 46 HA ASP 46 3.816 -1.549 10.578 3 HB2 ASP 46 HB2 ASP 46 5.862 -0.738 9.308 4 HB3 ASP 46 HB3 ASP 46 6.133 0.402 10.617 No H/Q in entry = 4 In of MODEL 6 1 H GLU 47 H GLU 47 3.261 1.693 11.471 2 HA GLU 47 HA GLU 47 3.785 1.166 14.289 3 HB2 GLU 47 HB2 GLU 47 2.862 3.677 12.894 4 HB3 GLU 47 HB3 GLU 47 3.235 3.545 14.603 5 HG2 GLU 47 HG2 GLU 47 5.553 2.944 14.012 6 HG3 GLU 47 HG3 GLU 47 5.151 3.201 12.313 No H/Q in entry = 6 In of MODEL 6 1 H LEU 48 H LEU 48 1.381 0.323 12.328 2 HA LEU 48 HA LEU 48 -0.944 1.522 13.316 3 HB2 LEU 48 HB2 LEU 48 -0.317 -0.933 11.741 4 HB3 LEU 48 HB3 LEU 48 -1.965 -0.597 12.207 5 HG LEU 48 HG LEU 48 -0.222 1.203 10.541 6 HD11 LEU 48 HD11 LEU 48 -0.902 -0.830 9.371 7 HD12 LEU 48 HD12 LEU 48 -2.584 -0.515 9.797 8 HD13 LEU 48 HD13 LEU 48 -1.725 0.590 8.724 9 HD21 LEU 48 HD21 LEU 48 -3.098 1.428 11.408 10 HD22 LEU 48 HD22 LEU 48 -1.769 2.500 11.849 11 HD23 LEU 48 HD23 LEU 48 -2.337 2.440 10.181 No H/Q in entry = 11 In of MODEL 6 1 H GLU 49 H GLU 49 -2.593 -0.668 13.727 2 HA GLU 49 HA GLU 49 -1.930 -1.403 16.483 3 HB2 GLU 49 HB2 GLU 49 -4.496 -0.140 15.503 4 HB3 GLU 49 HB3 GLU 49 -4.322 -0.893 17.081 5 HG2 GLU 49 HG2 GLU 49 -2.720 1.455 16.096 6 HG3 GLU 49 HG3 GLU 49 -4.121 1.551 17.161 No H/Q in entry = 6 In of MODEL 6 1 H GLY 50 H GLY 50 -4.184 -2.801 17.151 2 HA2 GLY 50 HA2 GLY 50 -5.163 -4.861 16.928 3 HA3 GLY 50 HA3 GLY 50 -3.721 -5.293 16.027 No H/Q in entry = 3 In of MODEL 6 1 H ASP 51 H ASP 51 -6.974 -3.984 15.750 2 HA ASP 51 HA ASP 51 -7.490 -5.356 13.304 3 HB2 ASP 51 HB2 ASP 51 -9.258 -4.786 14.936 4 HB3 ASP 51 HB3 ASP 51 -9.007 -3.075 14.608 No H/Q in entry = 4 In of MODEL 6 1 H ALA 52 H ALA 52 -6.236 -2.180 14.063 2 HA ALA 52 HA ALA 52 -6.852 -0.901 11.616 3 HB1 ALA 52 HB1 ALA 52 -4.461 -0.415 13.407 4 HB2 ALA 52 HB2 ALA 52 -5.085 0.681 12.176 5 HB3 ALA 52 HB3 ALA 52 -6.052 0.317 13.605 No H/Q in entry = 5 In of MODEL 6 1 H LYS 53 H LYS 53 -4.058 -2.808 12.657 2 HA LYS 53 HA LYS 53 -2.539 -2.595 10.300 3 HB2 LYS 53 HB2 LYS 53 -2.374 -3.989 12.762 4 HB3 LYS 53 HB3 LYS 53 -2.268 -5.197 11.496 5 HG2 LYS 53 HG2 LYS 53 -0.511 -2.771 11.721 6 HG3 LYS 53 HG3 LYS 53 -0.078 -4.395 12.238 7 HD2 LYS 53 HD2 LYS 53 -0.360 -5.178 9.916 8 HD3 LYS 53 HD3 LYS 53 -0.712 -3.520 9.423 9 HE2 LYS 53 HE2 LYS 53 1.615 -4.071 8.967 10 HE3 LYS 53 HE3 LYS 53 1.505 -2.824 10.204 11 HZ1 LYS 53 HZ1 LYS 53 1.971 -5.711 10.705 12 HZ2 LYS 53 HZ2 LYS 53 3.142 -4.497 10.778 13 HZ3 LYS 53 HZ3 LYS 53 1.871 -4.510 11.891 No H/Q in entry = 13 In of MODEL 6 1 H LYS 54 H LYS 54 -4.695 -5.158 11.451 2 HA LYS 54 HA LYS 54 -4.673 -6.805 9.257 3 HB2 LYS 54 HB2 LYS 54 -6.048 -7.959 10.554 4 HB3 LYS 54 HB3 LYS 54 -6.141 -6.584 11.640 5 HG2 LYS 54 HG2 LYS 54 -8.133 -5.839 10.732 6 HG3 LYS 54 HG3 LYS 54 -7.916 -6.755 9.243 7 HD2 LYS 54 HD2 LYS 54 -8.040 -8.828 10.696 8 HD3 LYS 54 HD3 LYS 54 -8.631 -7.767 11.974 9 HE2 LYS 54 HE2 LYS 54 -9.898 -8.300 9.294 10 HE3 LYS 54 HE3 LYS 54 -10.524 -8.744 10.879 11 HZ1 LYS 54 HZ1 LYS 54 -10.533 -6.242 11.320 12 HZ2 LYS 54 HZ2 LYS 54 -10.370 -6.065 9.640 13 HZ3 LYS 54 HZ3 LYS 54 -11.721 -6.863 10.281 No H/Q in entry = 13 In of MODEL 6 1 H GLU 55 H GLU 55 -6.825 -4.025 9.855 2 HA GLU 55 HA GLU 55 -8.280 -4.314 7.467 3 HB2 GLU 55 HB2 GLU 55 -7.867 -2.052 9.420 4 HB3 GLU 55 HB3 GLU 55 -8.930 -1.893 8.042 5 HG2 GLU 55 HG2 GLU 55 -9.192 -3.920 10.239 6 HG3 GLU 55 HG3 GLU 55 -10.135 -2.445 10.073 No H/Q in entry = 6 In of MODEL 6 1 H ALA 56 H ALA 56 -5.581 -2.142 8.367 2 HA ALA 56 HA ALA 56 -5.494 -0.872 5.892 3 HB1 ALA 56 HB1 ALA 56 -3.205 -0.204 6.467 4 HB2 ALA 56 HB2 ALA 56 -3.177 -1.401 7.759 5 HB3 ALA 56 HB3 ALA 56 -4.279 -0.030 7.852 No H/Q in entry = 5 In of MODEL 6 1 H THR 57 H THR 57 -3.616 -3.655 7.068 2 HA THR 57 HA THR 57 -2.124 -4.214 4.840 3 HB THR 57 HB THR 57 -3.438 -6.215 6.692 4 HG1 THR 57 HG1 THR 57 -0.762 -5.263 6.833 5 HG21 THR 57 HG21 THR 57 -1.079 -6.473 4.828 6 HG22 THR 57 HG22 THR 57 -1.535 -7.668 6.046 7 HG23 THR 57 HG23 THR 57 -2.625 -7.311 4.705 No H/Q in entry = 7 In of MODEL 6 1 H GLU 58 H GLU 58 -5.423 -5.271 5.551 2 HA GLU 58 HA GLU 58 -5.764 -6.736 3.123 3 HB2 GLU 58 HB2 GLU 58 -7.672 -5.773 5.239 4 HB3 GLU 58 HB3 GLU 58 -8.211 -6.641 3.801 5 HG2 GLU 58 HG2 GLU 58 -6.480 -8.411 4.475 6 HG3 GLU 58 HG3 GLU 58 -6.469 -7.596 6.039 No H/Q in entry = 6 In of MODEL 6 1 H HIS 59 H HIS 59 -6.198 -3.353 3.942 2 HA HIS 59 HA HIS 59 -7.795 -2.827 1.600 3 HB2 HIS 59 HB2 HIS 59 -6.353 -1.000 3.526 4 HB3 HIS 59 HB3 HIS 59 -7.218 -0.400 2.118 5 HD1 HIS 59 HD1 HIS 59 -9.770 -2.119 2.284 6 HD2 HIS 59 HD2 HIS 59 -8.004 -0.254 5.556 7 HE1 HIS 59 HE1 HIS 59 -11.598 -1.868 3.990 8 HE2 HIS 59 HE2 HIS 59 -10.496 -0.788 5.987 No H/Q in entry = 8 In of MODEL 6 1 H LEU 60 H LEU 60 -4.428 -2.211 2.563 2 HA LEU 60 HA LEU 60 -3.426 -1.460 0.127 3 HB2 LEU 60 HB2 LEU 60 -2.276 -2.854 2.504 4 HB3 LEU 60 HB3 LEU 60 -1.296 -2.627 1.064 5 HG LEU 60 HG LEU 60 -1.852 -0.196 1.215 6 HD11 LEU 60 HD11 LEU 60 -3.788 -0.319 2.581 7 HD12 LEU 60 HD12 LEU 60 -2.821 -0.907 3.935 8 HD13 LEU 60 HD13 LEU 60 -2.565 0.725 3.312 9 HD21 LEU 60 HD21 LEU 60 -0.308 -1.398 3.496 10 HD22 LEU 60 HD22 LEU 60 0.323 -1.042 1.889 11 HD23 LEU 60 HD23 LEU 60 -0.184 0.273 2.948 No H/Q in entry = 11 In of MODEL 6 1 H LYS 61 H LYS 61 -4.284 -4.692 1.279 2 HA LYS 61 HA LYS 61 -2.997 -6.172 -0.731 3 HB2 LYS 61 HB2 LYS 61 -5.430 -6.694 0.951 4 HB3 LYS 61 HB3 LYS 61 -4.991 -7.800 -0.342 5 HG2 LYS 61 HG2 LYS 61 -2.797 -8.133 0.705 6 HG3 LYS 61 HG3 LYS 61 -3.275 -7.056 2.018 7 HD2 LYS 61 HD2 LYS 61 -5.087 -8.564 2.620 8 HD3 LYS 61 HD3 LYS 61 -4.677 -9.620 1.269 9 HE2 LYS 61 HE2 LYS 61 -2.492 -10.055 2.263 10 HE3 LYS 61 HE3 LYS 61 -2.883 -8.984 3.606 11 HZ1 LYS 61 HZ1 LYS 61 -4.318 -11.492 2.926 12 HZ2 LYS 61 HZ2 LYS 61 -3.212 -11.301 4.189 13 HZ3 LYS 61 HZ3 LYS 61 -4.683 -10.468 4.222 No H/Q in entry = 13 In of MODEL 6 1 H GLY 62 H GLY 62 -6.371 -5.008 -0.593 2 HA2 GLY 62 HA2 GLY 62 -7.771 -4.319 -2.273 3 HA3 GLY 62 HA3 GLY 62 -7.086 -5.637 -3.214 No H/Q in entry = 3 In of MODEL 6 1 H GLY 63 H GLY 63 -5.477 -2.741 -1.935 2 HA2 GLY 63 HA2 GLY 63 -4.168 -1.174 -2.990 3 HA3 GLY 63 HA3 GLY 63 -5.296 -1.301 -4.331 No H/Q in entry = 3 In of MODEL 6 1 H CYS 64 H CYS 64 -3.066 -3.663 -2.929 2 HA CYS 64 HA CYS 64 -1.185 -3.668 -5.003 3 HB2 CYS 64 HB2 CYS 64 -0.699 -4.740 -2.882 4 HB3 CYS 64 HB3 CYS 64 -2.021 -5.877 -3.115 No H/Q in entry = 4 In of MODEL 6 1 H ARG 65 H ARG 65 -4.148 -5.485 -4.510 2 HA ARG 65 HA ARG 65 -3.970 -7.186 -6.718 3 HB2 ARG 65 HB2 ARG 65 -5.587 -7.443 -4.863 4 HB3 ARG 65 HB3 ARG 65 -6.454 -6.026 -5.439 5 HG2 ARG 65 HG2 ARG 65 -7.047 -7.166 -7.479 6 HG3 ARG 65 HG3 ARG 65 -6.077 -8.564 -7.012 7 HD2 ARG 65 HD2 ARG 65 -8.440 -7.522 -5.460 8 HD3 ARG 65 HD3 ARG 65 -8.512 -8.853 -6.609 9 HE ARG 65 HE ARG 65 -6.525 -9.457 -4.749 10 HH11 ARG 65 HH11 ARG 65 -9.985 -8.953 -4.784 11 HH12 ARG 65 HH12 ARG 65 -10.291 -10.054 -3.480 12 HH21 ARG 65 HH21 ARG 65 -6.927 -10.924 -3.019 13 HH22 ARG 65 HH22 ARG 65 -8.555 -11.174 -2.477 No H/Q in entry = 13 In of MODEL 6 1 H GLU 66 H GLU 66 -5.278 -3.903 -6.414 2 HA GLU 66 HA GLU 66 -6.258 -3.679 -9.048 3 HB2 GLU 66 HB2 GLU 66 -5.357 -1.627 -7.039 4 HB3 GLU 66 HB3 GLU 66 -5.973 -1.177 -8.623 5 HG2 GLU 66 HG2 GLU 66 -7.458 -2.745 -6.527 6 HG3 GLU 66 HG3 GLU 66 -7.710 -1.048 -6.935 No H/Q in entry = 6 In of MODEL 6 1 H ILE 67 H ILE 67 -3.094 -2.906 -7.651 2 HA ILE 67 HA ILE 67 -1.988 -1.924 -10.082 3 HB ILE 67 HB ILE 67 -0.718 -2.899 -7.532 4 HG12 ILE 67 HG12 ILE 67 -0.956 -0.172 -8.822 5 HG13 ILE 67 HG13 ILE 67 -1.909 -0.753 -7.461 6 HG21 ILE 67 HG21 ILE 67 0.826 -3.433 -9.346 7 HG22 ILE 67 HG22 ILE 67 0.698 -1.782 -9.955 8 HG23 ILE 67 HG23 ILE 67 1.436 -2.087 -8.383 9 HD11 ILE 67 HD11 ILE 67 1.066 -0.300 -7.472 10 HD12 ILE 67 HD12 ILE 67 -0.148 0.748 -6.736 11 HD13 ILE 67 HD13 ILE 67 0.115 -0.878 -6.104 No H/Q in entry = 11 In of MODEL 6 1 H LEU 68 H LEU 68 -2.003 -5.074 -8.493 2 HA LEU 68 HA LEU 68 -0.366 -6.417 -10.366 3 HB2 LEU 68 HB2 LEU 68 -1.080 -7.148 -8.029 4 HB3 LEU 68 HB3 LEU 68 -2.595 -7.645 -8.756 5 HG LEU 68 HG LEU 68 -1.452 -9.279 -10.130 6 HD11 LEU 68 HD11 LEU 68 1.069 -8.254 -8.827 7 HD12 LEU 68 HD12 LEU 68 0.957 -9.675 -9.866 8 HD13 LEU 68 HD13 LEU 68 0.627 -8.072 -10.524 9 HD21 LEU 68 HD21 LEU 68 -0.652 -9.362 -7.227 10 HD22 LEU 68 HD22 LEU 68 -2.137 -9.997 -7.935 11 HD23 LEU 68 HD23 LEU 68 -0.585 -10.735 -8.331 No H/Q in entry = 11 In of MODEL 6 1 H LYS 69 H LYS 69 -3.697 -5.538 -10.256 2 HA LYS 69 HA LYS 69 -4.538 -7.036 -12.492 3 HB2 LYS 69 HB2 LYS 69 -5.656 -4.652 -11.064 4 HB3 LYS 69 HB3 LYS 69 -6.361 -5.169 -12.591 5 HG2 LYS 69 HG2 LYS 69 -6.975 -7.274 -11.706 6 HG3 LYS 69 HG3 LYS 69 -5.991 -7.033 -10.263 7 HD2 LYS 69 HD2 LYS 69 -8.337 -6.722 -9.740 8 HD3 LYS 69 HD3 LYS 69 -7.474 -5.196 -9.580 9 HE2 LYS 69 HE2 LYS 69 -8.278 -4.529 -11.802 10 HE3 LYS 69 HE3 LYS 69 -9.167 -6.047 -11.922 11 HZ1 LYS 69 HZ1 LYS 69 -9.605 -4.088 -9.737 12 HZ2 LYS 69 HZ2 LYS 69 -10.495 -4.078 -11.183 13 HZ3 LYS 69 HZ3 LYS 69 -10.572 -5.416 -10.154 No H/Q in entry = 13 In of MODEL 6 1 H HIS 70 H HIS 70 -2.384 -4.534 -12.291 2 HA HIS 70 HA HIS 70 -2.907 -3.628 -15.026 3 HB2 HIS 70 HB2 HIS 70 -2.748 -1.778 -13.428 4 HB3 HIS 70 HB3 HIS 70 -1.188 -2.374 -12.870 5 HD1 HIS 70 HD1 HIS 70 -2.798 -0.423 -15.583 6 HD2 HIS 70 HD2 HIS 70 0.959 -1.978 -14.691 7 HE1 HIS 70 HE1 HIS 70 -1.205 0.715 -17.157 8 HE2 HIS 70 HE2 HIS 70 1.021 -0.363 -16.721 No H/Q in entry = 8 In of MODEL 6 1 H VAL 71 H VAL 71 -0.328 -4.509 -12.775 2 HA VAL 71 HA VAL 71 1.683 -4.546 -14.721 3 HB VAL 71 HB VAL 71 2.238 -3.982 -12.486 4 HG11 VAL 71 HG11 VAL 71 1.298 -6.681 -11.689 5 HG12 VAL 71 HG12 VAL 71 2.192 -5.562 -10.653 6 HG13 VAL 71 HG13 VAL 71 0.597 -5.115 -11.274 7 HG21 VAL 71 HG21 VAL 71 3.436 -6.542 -13.402 8 HG22 VAL 71 HG22 VAL 71 4.092 -4.908 -13.500 9 HG23 VAL 71 HG23 VAL 71 3.982 -5.722 -11.943 No H/Q in entry = 9 In of MODEL 6 1 H VAL 72 H VAL 72 0.076 -7.255 -13.005 2 HA VAL 72 HA VAL 72 1.322 -9.009 -14.959 3 HB VAL 72 HB VAL 72 1.035 -9.494 -12.378 4 HG11 VAL 72 HG11 VAL 72 -1.554 -10.471 -13.515 5 HG12 VAL 72 HG12 VAL 72 -0.861 -11.054 -12.002 6 HG13 VAL 72 HG13 VAL 72 -1.314 -9.356 -12.174 7 HG21 VAL 72 HG21 VAL 72 2.187 -10.820 -14.058 8 HG22 VAL 72 HG22 VAL 72 1.354 -11.788 -12.856 9 HG23 VAL 72 HG23 VAL 72 0.658 -11.600 -14.461 No H/Q in entry = 9 In of MODEL 6 1 H GLY 73 H GLY 73 -1.761 -7.639 -14.131 2 HA2 GLY 73 HA2 GLY 73 -2.844 -8.791 -16.612 3 HA3 GLY 73 HA3 GLY 73 -3.383 -7.292 -15.867 No H/Q in entry = 3 In of MODEL 6 1 H GLU 74 H GLU 74 -5.507 -8.346 -16.228 2 HA GLU 74 HA GLU 74 -6.552 -9.273 -13.788 3 HB2 GLU 74 HB2 GLU 74 -7.866 -8.036 -15.459 4 HB3 GLU 74 HB3 GLU 74 -7.757 -9.405 -16.557 5 HG2 GLU 74 HG2 GLU 74 -9.125 -10.743 -15.178 6 HG3 GLU 74 HG3 GLU 74 -9.017 -9.598 -13.841 No H/Q in entry = 6 In of MODEL 6 1 H GLU 75 H GLU 75 -5.545 -10.924 -16.701 2 HA GLU 75 HA GLU 75 -6.361 -13.529 -16.425 3 HB2 GLU 75 HB2 GLU 75 -4.969 -12.679 -18.250 4 HB3 GLU 75 HB3 GLU 75 -3.601 -12.553 -17.154 5 HG2 GLU 75 HG2 GLU 75 -3.762 -15.014 -16.794 6 HG3 GLU 75 HG3 GLU 75 -4.986 -15.061 -18.063 No H/Q in entry = 6 In of MODEL 6 1 H LYS 76 H LYS 76 -3.307 -12.319 -15.046 2 HA LYS 76 HA LYS 76 -2.922 -14.830 -13.721 3 HB2 LYS 76 HB2 LYS 76 -1.015 -13.762 -14.683 4 HB3 LYS 76 HB3 LYS 76 -1.331 -12.279 -13.810 5 HG2 LYS 76 HG2 LYS 76 0.561 -13.497 -12.896 6 HG3 LYS 76 HG3 LYS 76 -0.738 -13.331 -11.723 7 HD2 LYS 76 HD2 LYS 76 0.253 -15.576 -11.669 8 HD3 LYS 76 HD3 LYS 76 -1.437 -15.634 -12.170 9 HE2 LYS 76 HE2 LYS 76 -0.041 -17.116 -13.518 10 HE3 LYS 76 HE3 LYS 76 -0.764 -15.845 -14.495 11 HZ1 LYS 76 HZ1 LYS 76 1.400 -14.643 -14.268 12 HZ2 LYS 76 HZ2 LYS 76 2.048 -16.045 -13.565 13 HZ3 LYS 76 HZ3 LYS 76 1.477 -16.077 -15.156 No H/Q in entry = 13 In of MODEL 6 1 H ALA 77 H ALA 77 -3.786 -11.553 -12.737 2 HA ALA 77 HA ALA 77 -3.621 -11.961 -9.953 3 HB1 ALA 77 HB1 ALA 77 -5.090 -10.014 -9.761 4 HB2 ALA 77 HB2 ALA 77 -5.457 -10.113 -11.483 5 HB3 ALA 77 HB3 ALA 77 -3.819 -9.732 -10.952 No H/Q in entry = 5 In of MODEL 6 1 H ALA 78 H ALA 78 -6.022 -12.786 -12.351 2 HA ALA 78 HA ALA 78 -8.148 -13.459 -10.624 3 HB1 ALA 78 HB1 ALA 78 -7.399 -14.364 -13.402 4 HB2 ALA 78 HB2 ALA 78 -8.870 -14.898 -12.582 5 HB3 ALA 78 HB3 ALA 78 -8.627 -13.187 -12.932 No H/Q in entry = 5 In of MODEL 6 1 H GLU 79 H GLU 79 -5.335 -15.177 -11.790 2 HA GLU 79 HA GLU 79 -6.166 -17.727 -10.758 3 HB2 GLU 79 HB2 GLU 79 -3.405 -16.896 -11.651 4 HB3 GLU 79 HB3 GLU 79 -4.039 -18.531 -11.535 5 HG2 GLU 79 HG2 GLU 79 -5.698 -17.922 -13.287 6 HG3 GLU 79 HG3 GLU 79 -4.849 -16.393 -13.478 No H/Q in entry = 6 In of MODEL 6 1 H LEU 80 H LEU 80 -4.217 -15.055 -9.671 2 HA LEU 80 HA LEU 80 -3.082 -16.405 -7.441 3 HB2 LEU 80 HB2 LEU 80 -3.380 -13.512 -8.199 4 HB3 LEU 80 HB3 LEU 80 -2.600 -14.019 -6.707 5 HG LEU 80 HG LEU 80 -1.691 -15.065 -9.376 6 HD11 LEU 80 HD11 LEU 80 -0.745 -12.579 -7.975 7 HD12 LEU 80 HD12 LEU 80 0.058 -13.348 -9.348 8 HD13 LEU 80 HD13 LEU 80 -1.561 -12.663 -9.540 9 HD21 LEU 80 HD21 LEU 80 -0.430 -14.799 -6.663 10 HD22 LEU 80 HD22 LEU 80 -0.946 -16.283 -7.464 11 HD23 LEU 80 HD23 LEU 80 0.410 -15.357 -8.112 No H/Q in entry = 11 In of MODEL 6 1 H LYS 81 H LYS 81 -6.042 -14.621 -7.989 2 HA LYS 81 HA LYS 81 -6.804 -14.430 -5.268 3 HB2 LYS 81 HB2 LYS 81 -8.439 -14.447 -7.799 4 HB3 LYS 81 HB3 LYS 81 -9.137 -14.210 -6.202 5 HG2 LYS 81 HG2 LYS 81 -7.596 -12.257 -5.920 6 HG3 LYS 81 HG3 LYS 81 -7.161 -12.443 -7.619 7 HD2 LYS 81 HD2 LYS 81 -9.954 -11.983 -6.579 8 HD3 LYS 81 HD3 LYS 81 -8.904 -10.743 -7.254 9 HE2 LYS 81 HE2 LYS 81 -8.887 -11.858 -9.395 10 HE3 LYS 81 HE3 LYS 81 -9.813 -13.203 -8.736 11 HZ1 LYS 81 HZ1 LYS 81 -10.795 -10.408 -8.907 12 HZ2 LYS 81 HZ2 LYS 81 -11.177 -11.629 -10.011 13 HZ3 LYS 81 HZ3 LYS 81 -11.682 -11.755 -8.404 No H/Q in entry = 13 In of MODEL 6 1 H ASN 82 H ASN 82 -7.754 -16.715 -7.830 2 HA ASN 82 HA ASN 82 -9.218 -18.441 -6.169 3 HB2 ASN 82 HB2 ASN 82 -9.346 -18.458 -8.663 4 HB3 ASN 82 HB3 ASN 82 -7.726 -19.128 -8.716 5 HD21 ASN 82 HD21 ASN 82 -10.228 -20.062 -6.399 6 HD22 ASN 82 HD22 ASN 82 -10.398 -21.680 -6.981 No H/Q in entry = 6 In of MODEL 6 1 H LEU 83 H LEU 83 -5.801 -18.379 -7.073 2 HA LEU 83 HA LEU 83 -4.828 -20.711 -6.127 3 HB2 LEU 83 HB2 LEU 83 -3.848 -18.207 -6.828 4 HB3 LEU 83 HB3 LEU 83 -3.275 -18.443 -5.182 5 HG LEU 83 HG LEU 83 -2.532 -20.762 -6.109 6 HD11 LEU 83 HD11 LEU 83 -2.645 -19.142 -8.629 7 HD12 LEU 83 HD12 LEU 83 -1.812 -20.685 -8.444 8 HD13 LEU 83 HD13 LEU 83 -3.564 -20.604 -8.272 9 HD21 LEU 83 HD21 LEU 83 -1.087 -18.203 -6.740 10 HD22 LEU 83 HD22 LEU 83 -0.997 -19.120 -5.240 11 HD23 LEU 83 HD23 LEU 83 -0.346 -19.803 -6.727 No H/Q in entry = 11 In of MODEL 6 1 H LYS 84 H LYS 84 -5.211 -17.757 -4.207 2 HA LYS 84 HA LYS 84 -4.254 -19.081 -1.854 3 HB2 LYS 84 HB2 LYS 84 -3.610 -16.843 -2.044 4 HB3 LYS 84 HB3 LYS 84 -5.233 -16.313 -2.451 5 HG2 LYS 84 HG2 LYS 84 -5.958 -16.701 -0.177 6 HG3 LYS 84 HG3 LYS 84 -4.388 -17.385 0.235 7 HD2 LYS 84 HD2 LYS 84 -3.363 -15.181 -0.333 8 HD3 LYS 84 HD3 LYS 84 -4.994 -14.534 -0.530 9 HE2 LYS 84 HE2 LYS 84 -4.147 -14.023 1.687 10 HE3 LYS 84 HE3 LYS 84 -5.502 -15.147 1.790 11 HZ1 LYS 84 HZ1 LYS 84 -3.868 -16.965 1.985 12 HZ2 LYS 84 HZ2 LYS 84 -2.622 -15.822 2.018 13 HZ3 LYS 84 HZ3 LYS 84 -3.771 -15.860 3.258 No H/Q in entry = 13 In of MODEL 6 1 H ASP 85 H ASP 85 -7.402 -17.817 -2.921 2 HA ASP 85 HA ASP 85 -8.741 -18.389 -0.523 3 HB2 ASP 85 HB2 ASP 85 -9.637 -17.842 -3.321 4 HB3 ASP 85 HB3 ASP 85 -10.809 -18.401 -2.132 No H/Q in entry = 4 In of MODEL 6 1 H SER 86 H SER 86 -7.727 -20.717 -3.010 2 HA SER 86 HA SER 86 -9.423 -22.476 -1.353 3 HB2 SER 86 HB2 SER 86 -9.450 -24.032 -3.351 4 HB3 SER 86 HB3 SER 86 -10.334 -22.515 -3.519 5 HG SER 86 HG SER 86 -8.672 -21.691 -4.754 No H/Q in entry = 5 In of MODEL 6 1 H GLY 87 H GLY 87 -6.528 -22.882 -3.447 2 HA2 GLY 87 HA2 GLY 87 -5.515 -25.089 -3.400 3 HA3 GLY 87 HA3 GLY 87 -5.910 -25.174 -1.698 No H/Q in entry = 3 In of MODEL 6 1 H ALA 88 H ALA 88 -4.561 -22.209 -2.850 2 HA ALA 88 HA ALA 88 -1.904 -23.256 -2.642 3 HB1 ALA 88 HB1 ALA 88 -2.903 -20.543 -3.432 4 HB2 ALA 88 HB2 ALA 88 -1.197 -20.977 -3.382 5 HB3 ALA 88 HB3 ALA 88 -2.290 -21.827 -4.472 No H/Q in entry = 5 In of MODEL 6 1 H SER 89 H SER 89 -0.719 -23.144 -0.883 2 HA SER 89 HA SER 89 -1.314 -21.611 1.446 3 HB2 SER 89 HB2 SER 89 0.009 -23.688 1.571 4 HB3 SER 89 HB3 SER 89 1.291 -22.932 0.626 5 HG SER 89 HG SER 89 0.625 -22.627 3.290 No H/Q in entry = 5 In of MODEL 6 1 H LYS 90 H LYS 90 0.272 -19.905 2.339 2 HA LYS 90 HA LYS 90 0.391 -17.764 0.536 3 HB2 LYS 90 HB2 LYS 90 1.881 -18.146 3.134 4 HB3 LYS 90 HB3 LYS 90 1.858 -16.641 2.229 5 HG2 LYS 90 HG2 LYS 90 -0.662 -16.707 2.434 6 HG3 LYS 90 HG3 LYS 90 -0.436 -18.014 3.594 7 HD2 LYS 90 HD2 LYS 90 0.727 -15.240 3.834 8 HD3 LYS 90 HD3 LYS 90 -0.697 -15.827 4.691 9 HE2 LYS 90 HE2 LYS 90 0.733 -17.592 5.714 10 HE3 LYS 90 HE3 LYS 90 2.133 -16.829 4.964 11 HZ1 LYS 90 HZ1 LYS 90 1.638 -14.806 6.206 12 HZ2 LYS 90 HZ2 LYS 90 0.306 -15.555 6.930 13 HZ3 LYS 90 HZ3 LYS 90 1.864 -16.118 7.251 No H/Q in entry = 13 In of MODEL 6 1 H GLU 91 H GLU 91 2.632 -20.323 1.127 2 HA GLU 91 HA GLU 91 4.918 -19.120 0.012 3 HB2 GLU 91 HB2 GLU 91 4.105 -21.992 0.335 4 HB3 GLU 91 HB3 GLU 91 5.650 -21.521 -0.360 5 HG2 GLU 91 HG2 GLU 91 4.646 -20.931 2.409 6 HG3 GLU 91 HG3 GLU 91 5.960 -22.000 1.942 No H/Q in entry = 6 In of MODEL 6 1 H GLU 92 H GLU 92 2.235 -20.847 -1.369 2 HA GLU 92 HA GLU 92 3.332 -21.288 -3.965 3 HB2 GLU 92 HB2 GLU 92 0.499 -21.349 -2.938 4 HB3 GLU 92 HB3 GLU 92 1.034 -21.977 -4.481 5 HG2 GLU 92 HG2 GLU 92 2.148 -22.964 -1.894 6 HG3 GLU 92 HG3 GLU 92 0.672 -23.613 -2.597 No H/Q in entry = 6 In of MODEL 6 1 H LEU 93 H LEU 93 1.296 -18.988 -2.325 2 HA LEU 93 HA LEU 93 0.862 -17.207 -4.483 3 HB2 LEU 93 HB2 LEU 93 1.054 -16.864 -1.499 4 HB3 LEU 93 HB3 LEU 93 0.862 -15.475 -2.549 5 HG LEU 93 HG LEU 93 -1.233 -16.366 -1.495 6 HD11 LEU 93 HD11 LEU 93 -1.095 -16.245 -4.506 7 HD12 LEU 93 HD12 LEU 93 -2.573 -16.113 -3.556 8 HD13 LEU 93 HD13 LEU 93 -1.320 -14.880 -3.412 9 HD21 LEU 93 HD21 LEU 93 -0.710 -18.636 -3.378 10 HD22 LEU 93 HD22 LEU 93 -0.947 -18.707 -1.633 11 HD23 LEU 93 HD23 LEU 93 -2.296 -18.288 -2.691 No H/Q in entry = 11 In of MODEL 6 1 H LYS 94 H LYS 94 3.528 -17.473 -2.082 2 HA LYS 94 HA LYS 94 4.913 -15.229 -3.046 3 HB2 LYS 94 HB2 LYS 94 5.444 -16.232 -0.882 4 HB3 LYS 94 HB3 LYS 94 5.988 -17.704 -1.674 5 HG2 LYS 94 HG2 LYS 94 7.786 -16.423 -2.764 6 HG3 LYS 94 HG3 LYS 94 7.263 -14.984 -1.885 7 HD2 LYS 94 HD2 LYS 94 7.714 -16.115 0.235 8 HD3 LYS 94 HD3 LYS 94 8.221 -17.561 -0.638 9 HE2 LYS 94 HE2 LYS 94 9.524 -14.850 -0.831 10 HE3 LYS 94 HE3 LYS 94 10.127 -16.206 0.118 11 HZ1 LYS 94 HZ1 LYS 94 9.758 -16.255 -2.837 12 HZ2 LYS 94 HZ2 LYS 94 11.228 -15.963 -2.052 13 HZ3 LYS 94 HZ3 LYS 94 10.465 -17.459 -1.877 No H/Q in entry = 13 In of MODEL 6 1 H ALA 95 H ALA 95 5.016 -18.631 -3.953 2 HA ALA 95 HA ALA 95 7.216 -18.122 -5.733 3 HB1 ALA 95 HB1 ALA 95 7.154 -20.206 -4.410 4 HB2 ALA 95 HB2 ALA 95 7.214 -20.536 -6.143 5 HB3 ALA 95 HB3 ALA 95 5.687 -20.682 -5.269 No H/Q in entry = 5 In of MODEL 6 1 H LYS 96 H LYS 96 3.785 -18.403 -5.955 2 HA LYS 96 HA LYS 96 3.779 -18.422 -8.803 3 HB2 LYS 96 HB2 LYS 96 1.798 -18.870 -7.255 4 HB3 LYS 96 HB3 LYS 96 1.669 -17.127 -7.077 5 HG2 LYS 96 HG2 LYS 96 0.108 -17.801 -8.736 6 HG3 LYS 96 HG3 LYS 96 1.426 -16.965 -9.557 7 HD2 LYS 96 HD2 LYS 96 2.388 -19.059 -10.254 8 HD3 LYS 96 HD3 LYS 96 1.208 -19.961 -9.300 9 HE2 LYS 96 HE2 LYS 96 -0.596 -19.051 -10.704 10 HE3 LYS 96 HE3 LYS 96 0.609 -18.200 -11.674 11 HZ1 LYS 96 HZ1 LYS 96 0.548 -21.149 -11.332 12 HZ2 LYS 96 HZ2 LYS 96 -0.130 -20.338 -12.650 13 HZ3 LYS 96 HZ3 LYS 96 1.536 -20.268 -12.382 No H/Q in entry = 13 In of MODEL 6 1 H VAL 97 H VAL 97 3.393 -15.794 -6.482 2 HA VAL 97 HA VAL 97 3.215 -13.667 -8.197 3 HB VAL 97 HB VAL 97 4.484 -13.807 -5.460 4 HG11 VAL 97 HG11 VAL 97 5.353 -11.863 -6.650 5 HG12 VAL 97 HG12 VAL 97 3.708 -11.366 -7.046 6 HG13 VAL 97 HG13 VAL 97 4.244 -11.381 -5.366 7 HG21 VAL 97 HG21 VAL 97 1.785 -12.905 -6.446 8 HG22 VAL 97 HG22 VAL 97 2.137 -14.390 -5.559 9 HG23 VAL 97 HG23 VAL 97 2.341 -12.821 -4.772 No H/Q in entry = 9 In of MODEL 6 1 H GLU 98 H GLU 98 6.161 -15.284 -7.052 2 HA GLU 98 HA GLU 98 7.973 -13.524 -8.287 3 HB2 GLU 98 HB2 GLU 98 8.208 -16.434 -7.545 4 HB3 GLU 98 HB3 GLU 98 9.542 -15.512 -8.228 5 HG2 GLU 98 HG2 GLU 98 9.434 -13.956 -6.348 6 HG3 GLU 98 HG3 GLU 98 8.090 -14.871 -5.666 No H/Q in entry = 6 In of MODEL 6 1 H GLU 99 H GLU 99 6.476 -16.532 -9.497 2 HA GLU 99 HA GLU 99 7.792 -16.461 -12.002 3 HB2 GLU 99 HB2 GLU 99 6.465 -18.299 -12.618 4 HB3 GLU 99 HB3 GLU 99 6.675 -18.445 -10.880 5 HG2 GLU 99 HG2 GLU 99 4.492 -18.836 -10.914 6 HG3 GLU 99 HG3 GLU 99 4.442 -17.076 -10.894 No H/Q in entry = 6 In of MODEL 6 1 H ALA 100 H ALA 100 4.790 -15.174 -10.810 2 HA ALA 100 HA ALA 100 3.780 -14.347 -13.342 3 HB1 ALA 100 HB1 ALA 100 2.197 -14.670 -11.653 4 HB2 ALA 100 HB2 ALA 100 3.104 -13.687 -10.495 5 HB3 ALA 100 HB3 ALA 100 2.281 -12.921 -11.847 No H/Q in entry = 5 In of MODEL 6 1 H LEU 101 H LEU 101 5.269 -12.516 -10.665 2 HA LEU 101 HA LEU 101 5.353 -10.061 -12.067 3 HB2 LEU 101 HB2 LEU 101 6.613 -11.110 -9.566 4 HB3 LEU 101 HB3 LEU 101 7.105 -9.557 -10.206 5 HG LEU 101 HG LEU 101 5.331 -9.574 -8.374 6 HD11 LEU 101 HD11 LEU 101 4.811 -8.140 -10.969 7 HD12 LEU 101 HD12 LEU 101 4.094 -7.713 -9.417 8 HD13 LEU 101 HD13 LEU 101 5.836 -7.591 -9.645 9 HD21 LEU 101 HD21 LEU 101 3.923 -11.357 -9.265 10 HD22 LEU 101 HD22 LEU 101 3.021 -9.854 -9.077 11 HD23 LEU 101 HD23 LEU 101 3.560 -10.366 -10.676 No H/Q in entry = 11 In of MODEL 6 1 H HIS 102 H HIS 102 7.317 -12.837 -12.345 2 HA HIS 102 HA HIS 102 9.502 -11.314 -13.471 3 HB2 HIS 102 HB2 HIS 102 9.018 -14.202 -12.951 4 HB3 HIS 102 HB3 HIS 102 10.136 -13.787 -14.243 5 HD1 HIS 102 HD1 HIS 102 12.386 -14.205 -13.298 6 HD2 HIS 102 HD2 HIS 102 9.923 -12.192 -10.619 7 HE1 HIS 102 HE1 HIS 102 13.835 -13.674 -11.315 8 HE2 HIS 102 HE2 HIS 102 12.313 -12.520 -9.679 No H/Q in entry = 8 In of MODEL 6 1 H ALA 103 H ALA 103 6.885 -13.434 -14.583 2 HA ALA 103 HA ALA 103 7.681 -13.509 -17.272 3 HB1 ALA 103 HB1 ALA 103 4.913 -13.977 -16.185 4 HB2 ALA 103 HB2 ALA 103 6.217 -15.164 -16.137 5 HB3 ALA 103 HB3 ALA 103 5.588 -14.604 -17.689 No H/Q in entry = 5 In of MODEL 6 1 H VAL 104 H VAL 104 6.597 -10.836 -15.699 2 HA VAL 104 HA VAL 104 5.190 -9.729 -17.959 3 HB VAL 104 HB VAL 104 4.158 -9.228 -15.929 4 HG11 VAL 104 HG11 VAL 104 5.934 -9.849 -14.458 5 HG12 VAL 104 HG12 VAL 104 6.832 -8.397 -14.892 6 HG13 VAL 104 HG13 VAL 104 5.304 -8.263 -14.017 7 HG21 VAL 104 HG21 VAL 104 5.842 -6.841 -16.654 8 HG22 VAL 104 HG22 VAL 104 4.301 -7.274 -17.382 9 HG23 VAL 104 HG23 VAL 104 4.370 -6.788 -15.690 No H/Q in entry = 9 In of MODEL 6 1 H THR 105 H THR 105 5.945 -7.895 -19.077 2 HA THR 105 HA THR 105 8.738 -7.153 -18.620 3 HB THR 105 HB THR 105 9.210 -7.521 -21.090 4 HG1 THR 105 HG1 THR 105 7.507 -8.148 -22.181 5 HG21 THR 105 HG21 THR 105 10.165 -8.959 -19.351 6 HG22 THR 105 HG22 THR 105 8.719 -9.967 -19.391 7 HG23 THR 105 HG23 THR 105 9.774 -9.882 -20.801 No H/Q in entry = 7 In of MODEL 6 1 H ASP 106 H ASP 106 5.756 -5.969 -19.092 2 HA ASP 106 HA ASP 106 6.472 -3.867 -20.947 3 HB2 ASP 106 HB2 ASP 106 4.122 -4.569 -20.779 4 HB3 ASP 106 HB3 ASP 106 4.103 -4.099 -19.091 No H/Q in entry = 4 In of MODEL 6 1 H GLU 107 H GLU 107 7.202 -1.904 -20.494 2 HA GLU 107 HA GLU 107 8.940 -1.667 -18.380 3 HB2 GLU 107 HB2 GLU 107 7.743 0.455 -20.154 4 HB3 GLU 107 HB3 GLU 107 9.018 0.794 -18.996 5 HG2 GLU 107 HG2 GLU 107 9.946 0.512 -21.200 6 HG3 GLU 107 HG3 GLU 107 10.479 -0.799 -20.151 No H/Q in entry = 6 In of MODEL 6 1 H GLU 108 H GLU 108 5.885 0.085 -18.747 2 HA GLU 108 HA GLU 108 5.940 1.453 -16.313 3 HB2 GLU 108 HB2 GLU 108 4.386 2.088 -18.043 4 HB3 GLU 108 HB3 GLU 108 3.601 0.515 -17.979 5 HG2 GLU 108 HG2 GLU 108 2.816 0.987 -15.724 6 HG3 GLU 108 HG3 GLU 108 3.621 2.554 -15.768 No H/Q in entry = 6 In of MODEL 6 1 H LYS 109 H LYS 109 4.571 -1.721 -17.125 2 HA LYS 109 HA LYS 109 3.437 -2.308 -14.637 3 HB2 LYS 109 HB2 LYS 109 4.668 -4.158 -16.690 4 HB3 LYS 109 HB3 LYS 109 3.626 -4.672 -15.374 5 HG2 LYS 109 HG2 LYS 109 1.817 -3.287 -16.313 6 HG3 LYS 109 HG3 LYS 109 2.867 -2.892 -17.672 7 HD2 LYS 109 HD2 LYS 109 3.041 -5.327 -18.161 8 HD3 LYS 109 HD3 LYS 109 1.870 -5.625 -16.880 9 HE2 LYS 109 HE2 LYS 109 0.233 -4.240 -18.066 10 HE3 LYS 109 HE3 LYS 109 1.405 -3.976 -19.356 11 HZ1 LYS 109 HZ1 LYS 109 0.316 -6.618 -18.550 12 HZ2 LYS 109 HZ2 LYS 109 -0.176 -5.730 -19.900 13 HZ3 LYS 109 HZ3 LYS 109 1.397 -6.337 -19.816 No H/Q in entry = 13 In of MODEL 6 1 H LYS 110 H LYS 110 6.694 -2.878 -15.896 2 HA LYS 110 HA LYS 110 7.649 -4.272 -13.611 3 HB2 LYS 110 HB2 LYS 110 9.212 -2.786 -15.724 4 HB3 LYS 110 HB3 LYS 110 9.863 -3.978 -14.610 5 HG2 LYS 110 HG2 LYS 110 8.742 -5.743 -15.678 6 HG3 LYS 110 HG3 LYS 110 7.690 -4.639 -16.568 7 HD2 LYS 110 HD2 LYS 110 9.426 -5.543 -18.024 8 HD3 LYS 110 HD3 LYS 110 9.623 -3.806 -17.818 9 HE2 LYS 110 HE2 LYS 110 11.339 -4.235 -16.103 10 HE3 LYS 110 HE3 LYS 110 11.175 -5.967 -16.403 11 HZ1 LYS 110 HZ1 LYS 110 11.863 -5.579 -18.696 12 HZ2 LYS 110 HZ2 LYS 110 12.056 -3.931 -18.374 13 HZ3 LYS 110 HZ3 LYS 110 13.046 -5.063 -17.605 No H/Q in entry = 13 In of MODEL 6 1 H GLN 111 H GLN 111 7.266 -0.969 -14.349 2 HA GLN 111 HA GLN 111 8.983 0.144 -12.405 3 HB2 GLN 111 HB2 GLN 111 7.667 1.368 -14.230 4 HB3 GLN 111 HB3 GLN 111 6.285 1.277 -13.152 5 HG2 GLN 111 HG2 GLN 111 7.412 3.437 -13.016 6 HG3 GLN 111 HG3 GLN 111 7.465 2.572 -11.479 7 HE21 GLN 111 HE21 GLN 111 9.405 1.932 -10.654 8 HE22 GLN 111 HE22 GLN 111 10.932 2.357 -11.354 No H/Q in entry = 8 In of MODEL 6 1 H TYR 112 H TYR 112 5.719 -1.141 -12.234 2 HA TYR 112 HA TYR 112 5.285 -0.473 -9.465 3 HB2 TYR 112 HB2 TYR 112 3.884 -2.480 -11.241 4 HB3 TYR 112 HB3 TYR 112 3.353 -2.001 -9.632 5 HD1 TYR 112 HD1 TYR 112 3.620 0.855 -9.583 6 HD2 TYR 112 HD2 TYR 112 2.382 -1.652 -12.792 7 HE1 TYR 112 HE1 TYR 112 2.376 2.736 -10.560 8 HE2 TYR 112 HE2 TYR 112 1.144 0.231 -13.782 9 HH TYR 112 HH TYR 112 1.565 3.429 -12.802 No H/Q in entry = 9 In of MODEL 6 1 H ILE 113 H ILE 113 6.630 -3.155 -11.247 2 HA ILE 113 HA ILE 113 6.733 -5.028 -9.164 3 HB ILE 113 HB ILE 113 8.723 -4.657 -11.400 4 HG12 ILE 113 HG12 ILE 113 6.209 -6.327 -11.215 5 HG13 ILE 113 HG13 ILE 113 6.436 -4.900 -12.221 6 HG21 ILE 113 HG21 ILE 113 8.127 -7.050 -9.659 7 HG22 ILE 113 HG22 ILE 113 9.204 -7.045 -11.055 8 HG23 ILE 113 HG23 ILE 113 9.597 -6.078 -9.633 9 HD11 ILE 113 HD11 ILE 113 8.267 -6.123 -13.384 10 HD12 ILE 113 HD12 ILE 113 7.788 -7.557 -12.480 11 HD13 ILE 113 HD13 ILE 113 6.655 -6.801 -13.600 No H/Q in entry = 11 In of MODEL 6 1 H ALA 114 H ALA 114 9.174 -2.674 -10.263 2 HA ALA 114 HA ALA 114 11.079 -3.208 -8.220 3 HB1 ALA 114 HB1 ALA 114 11.757 -2.245 -10.321 4 HB2 ALA 114 HB2 ALA 114 12.129 -1.110 -9.026 5 HB3 ALA 114 HB3 ALA 114 10.720 -0.840 -10.057 No H/Q in entry = 5 In of MODEL 6 1 H ASP 115 H ASP 115 8.591 -0.762 -8.607 2 HA ASP 115 HA ASP 115 9.427 0.601 -6.211 3 HB2 ASP 115 HB2 ASP 115 7.108 1.041 -8.078 4 HB3 ASP 115 HB3 ASP 115 7.324 1.985 -6.608 No H/Q in entry = 4 In of MODEL 6 1 H PHE 116 H PHE 116 6.583 -1.258 -7.119 2 HA PHE 116 HA PHE 116 5.661 -0.943 -4.374 3 HB2 PHE 116 HB2 PHE 116 4.124 -0.070 -6.009 4 HB3 PHE 116 HB3 PHE 116 4.186 -1.561 -6.937 5 HD1 PHE 116 HD1 PHE 116 3.247 -0.219 -3.643 6 HD2 PHE 116 HD2 PHE 116 2.585 -3.182 -6.608 7 HE1 PHE 116 HE1 PHE 116 1.282 -1.027 -2.391 8 HE2 PHE 116 HE2 PHE 116 0.627 -4.011 -5.369 9 HZ PHE 116 HZ PHE 116 -0.040 -2.971 -3.307 No H/Q in entry = 9 In of MODEL 6 1 H GLY 117 H GLY 117 6.791 -3.307 -6.592 2 HA2 GLY 117 HA2 GLY 117 7.153 -5.561 -6.394 3 HA3 GLY 117 HA3 GLY 117 5.477 -5.612 -5.891 No H/Q in entry = 3 In of MODEL 6 1 HA PRO 118 HA PRO 118 8.640 -6.912 -2.526 2 HB2 PRO 118 HB2 PRO 118 10.212 -4.927 -1.440 3 HB3 PRO 118 HB3 PRO 118 10.729 -6.008 -2.738 4 HG2 PRO 118 HG2 PRO 118 9.701 -3.206 -2.900 5 HG3 PRO 118 HG3 PRO 118 11.020 -3.971 -3.805 6 HD2 PRO 118 HD2 PRO 118 8.589 -3.574 -4.888 7 HD3 PRO 118 HD3 PRO 118 9.575 -4.996 -5.288 No H/Q in entry = 7 In of MODEL 6 1 H ALA 119 H ALA 119 7.308 -3.655 -2.292 2 HA ALA 119 HA ALA 119 6.769 -3.821 0.515 3 HB1 ALA 119 HB1 ALA 119 5.402 -1.811 0.143 4 HB2 ALA 119 HB2 ALA 119 5.629 -1.991 -1.596 5 HB3 ALA 119 HB3 ALA 119 7.013 -1.657 -0.554 No H/Q in entry = 5 In of MODEL 6 1 H CYS 120 H CYS 120 4.969 -4.441 -2.447 2 HA CYS 120 HA CYS 120 2.492 -5.134 -1.363 3 HB2 CYS 120 HB2 CYS 120 2.769 -4.906 -3.743 4 HB3 CYS 120 HB3 CYS 120 3.973 -6.189 -3.776 No H/Q in entry = 4 In of MODEL 6 1 H LYS 121 H LYS 121 5.535 -6.870 -1.436 2 HA LYS 121 HA LYS 121 4.601 -9.444 -0.855 3 HB2 LYS 121 HB2 LYS 121 7.188 -8.164 0.030 4 HB3 LYS 121 HB3 LYS 121 6.846 -9.885 0.059 5 HG2 LYS 121 HG2 LYS 121 6.963 -8.151 -2.400 6 HG3 LYS 121 HG3 LYS 121 8.197 -9.294 -1.869 7 HD2 LYS 121 HD2 LYS 121 6.555 -11.115 -2.069 8 HD3 LYS 121 HD3 LYS 121 5.371 -9.954 -2.663 9 HE2 LYS 121 HE2 LYS 121 6.425 -11.223 -4.475 10 HE3 LYS 121 HE3 LYS 121 6.736 -9.491 -4.598 11 HZ1 LYS 121 HZ1 LYS 121 8.922 -9.864 -3.608 12 HZ2 LYS 121 HZ2 LYS 121 8.623 -11.527 -3.539 13 HZ3 LYS 121 HZ3 LYS 121 8.738 -10.750 -5.035 No H/Q in entry = 13 In of MODEL 6 1 H LYS 122 H LYS 122 5.670 -6.913 1.473 2 HA LYS 122 HA LYS 122 4.853 -8.398 3.744 3 HB2 LYS 122 HB2 LYS 122 5.002 -6.358 5.022 4 HB3 LYS 122 HB3 LYS 122 6.363 -6.448 3.920 5 HG2 LYS 122 HG2 LYS 122 5.387 -4.823 2.471 6 HG3 LYS 122 HG3 LYS 122 3.878 -4.849 3.383 7 HD2 LYS 122 HD2 LYS 122 4.965 -2.910 4.104 8 HD3 LYS 122 HD3 LYS 122 5.266 -4.082 5.380 9 HE2 LYS 122 HE2 LYS 122 7.206 -3.491 3.151 10 HE3 LYS 122 HE3 LYS 122 7.242 -2.684 4.714 11 HZ1 LYS 122 HZ1 LYS 122 7.460 -4.961 5.708 12 HZ2 LYS 122 HZ2 LYS 122 7.717 -5.550 4.147 13 HZ3 LYS 122 HZ3 LYS 122 8.792 -4.431 4.818 No H/Q in entry = 13 In of MODEL 6 1 H ILE 123 H ILE 123 3.160 -6.408 1.458 2 HA ILE 123 HA ILE 123 0.873 -5.886 3.014 3 HB ILE 123 HB ILE 123 1.273 -5.894 0.049 4 HG12 ILE 123 HG12 ILE 123 0.957 -3.693 2.102 5 HG13 ILE 123 HG13 ILE 123 2.478 -4.191 1.363 6 HG21 ILE 123 HG21 ILE 123 -1.153 -5.111 1.652 7 HG22 ILE 123 HG22 ILE 123 -0.896 -4.681 -0.041 8 HG23 ILE 123 HG23 ILE 123 -1.047 -6.375 0.427 9 HD11 ILE 123 HD11 ILE 123 0.133 -3.104 -0.153 10 HD12 ILE 123 HD12 ILE 123 1.497 -2.142 0.404 11 HD13 ILE 123 HD13 ILE 123 1.748 -3.427 -0.773 No H/Q in entry = 11 In of MODEL 6 1 H TYR 124 H TYR 124 1.450 -8.203 0.483 2 HA TYR 124 HA TYR 124 -0.877 -9.810 0.944 3 HB2 TYR 124 HB2 TYR 124 1.322 -9.725 -0.990 4 HB3 TYR 124 HB3 TYR 124 0.812 -11.358 -0.571 5 HD1 TYR 124 HD1 TYR 124 -0.339 -8.124 -1.931 6 HD2 TYR 124 HD2 TYR 124 -1.251 -12.236 -1.362 7 HE1 TYR 124 HE1 TYR 124 -2.235 -7.908 -3.485 8 HE2 TYR 124 HE2 TYR 124 -3.152 -12.034 -2.913 9 HH TYR 124 HH TYR 124 -4.661 -10.211 -3.739 No H/Q in entry = 9 In of MODEL 6 1 H GLY 125 H GLY 125 0.619 -9.566 3.297 2 HA2 GLY 125 HA2 GLY 125 1.919 -10.725 4.895 3 HA3 GLY 125 HA3 GLY 125 3.073 -10.074 3.766 No H/Q in entry = 3 In of MODEL 6 1 H VAL 126 H VAL 126 2.384 -12.066 1.730 2 HA VAL 126 HA VAL 126 2.822 -14.668 2.161 3 HB VAL 126 HB VAL 126 4.367 -14.646 0.145 4 HG11 VAL 126 HG11 VAL 126 1.727 -13.201 -0.028 5 HG12 VAL 126 HG12 VAL 126 2.603 -13.870 -1.406 6 HG13 VAL 126 HG13 VAL 126 1.991 -14.942 -0.144 7 HG21 VAL 126 HG21 VAL 126 3.803 -11.682 0.289 8 HG22 VAL 126 HG22 VAL 126 5.378 -12.457 0.491 9 HG23 VAL 126 HG23 VAL 126 4.559 -12.517 -1.071 No H/Q in entry = 9 In of MODEL 6 1 H HIS 127 H HIS 127 5.218 -12.173 2.803 2 HA HIS 127 HA HIS 127 7.530 -13.713 2.880 3 HB2 HIS 127 HB2 HIS 127 8.542 -11.978 4.194 4 HB3 HIS 127 HB3 HIS 127 7.457 -11.219 3.040 5 HD1 HIS 127 HD1 HIS 127 8.202 -11.458 6.634 6 HD2 HIS 127 HD2 HIS 127 5.015 -10.231 4.255 7 HE1 HIS 127 HE1 HIS 127 6.745 -10.042 8.118 8 HE2 HIS 127 HE2 HIS 127 4.734 -9.480 6.713 No H/Q in entry = 8 In of MODEL 6 1 H THR 128 H THR 128 4.933 -13.513 5.210 2 HA THR 128 HA THR 128 4.520 -14.635 7.153 3 HB THR 128 HB THR 128 6.327 -16.767 5.998 4 HG1 THR 128 HG1 THR 128 4.856 -16.063 4.389 5 HG21 THR 128 HG21 THR 128 3.835 -16.922 7.704 6 HG22 THR 128 HG22 THR 128 4.747 -18.298 7.087 7 HG23 THR 128 HG23 THR 128 5.486 -17.206 8.256 No H/Q in entry = 7 In of MODEL 6 1 H SER 129 H SER 129 5.866 -12.953 8.199 2 HA SER 129 HA SER 129 7.473 -12.191 9.594 3 HB2 SER 129 HB2 SER 129 7.819 -15.146 10.156 4 HB3 SER 129 HB3 SER 129 8.525 -13.851 11.121 5 HG SER 129 HG SER 129 5.814 -14.559 10.799 No H/Q in entry = 5 In of MODEL 7 1 HA2 GLY -4 HA2 GLY -4 -12.266 19.797 -20.370 2 HA3 GLY -4 HA3 GLY -4 -13.479 19.032 -19.354 3 H1 GLY -4 H1 GLY -4 -13.957 21.364 -19.662 4 H2 GLY -4 H2 GLY -4 -12.447 21.794 -19.043 No H/Q in entry = 4 In of MODEL 7 1 H SER -3 H SER -3 -12.040 17.380 -18.755 2 HA SER -3 HA SER -3 -9.859 18.251 -16.979 3 HB2 SER -3 HB2 SER -3 -11.801 15.976 -16.514 4 HB3 SER -3 HB3 SER -3 -10.405 16.338 -15.501 5 HG SER -3 HG SER -3 -11.491 17.878 -14.576 No H/Q in entry = 5 In of MODEL 7 1 HA PRO -2 HA PRO -2 -7.911 15.317 -19.830 2 HB2 PRO -2 HB2 PRO -2 -5.734 16.739 -20.356 3 HB3 PRO -2 HB3 PRO -2 -7.288 17.175 -21.075 4 HG2 PRO -2 HG2 PRO -2 -5.844 18.414 -18.784 5 HG3 PRO -2 HG3 PRO -2 -6.802 19.186 -20.058 6 HD2 PRO -2 HD2 PRO -2 -7.686 18.579 -17.471 7 HD3 PRO -2 HD3 PRO -2 -8.718 18.986 -18.855 No H/Q in entry = 7 In of MODEL 7 1 H GLU -1 H GLU -1 -5.367 14.765 -19.805 2 HA GLU -1 HA GLU -1 -3.682 13.706 -18.723 3 HB2 GLU -1 HB2 GLU -1 -4.179 15.842 -16.643 4 HB3 GLU -1 HB3 GLU -1 -2.731 14.852 -16.760 5 HG2 GLU -1 HG2 GLU -1 -2.238 15.828 -18.942 6 HG3 GLU -1 HG3 GLU -1 -3.697 16.810 -18.832 No H/Q in entry = 6 In of MODEL 7 1 H PHE 0 H PHE 0 -5.318 11.952 -18.508 2 HA PHE 0 HA PHE 0 -6.668 11.493 -16.080 3 HB2 PHE 0 HB2 PHE 0 -7.007 9.211 -16.893 4 HB3 PHE 0 HB3 PHE 0 -7.346 10.396 -18.147 5 HD1 PHE 0 HD1 PHE 0 -5.598 10.814 -19.895 6 HD2 PHE 0 HD2 PHE 0 -5.461 7.531 -17.219 7 HE1 PHE 0 HE1 PHE 0 -4.035 9.659 -21.410 8 HE2 PHE 0 HE2 PHE 0 -3.892 6.359 -18.718 9 HZ PHE 0 HZ PHE 0 -3.196 7.421 -20.835 No H/Q in entry = 9 In of MODEL 7 1 H HIS 1 H HIS 1 -6.237 9.834 -14.493 2 HA HIS 1 HA HIS 1 -3.342 9.579 -13.993 3 HB2 HIS 1 HB2 HIS 1 -5.598 9.721 -11.978 4 HB3 HIS 1 HB3 HIS 1 -3.884 9.588 -11.597 5 HD1 HIS 1 HD1 HIS 1 -6.515 12.025 -12.172 6 HD2 HIS 1 HD2 HIS 1 -2.370 11.962 -12.455 7 HE1 HIS 1 HE1 HIS 1 -5.805 14.432 -12.224 8 HE2 HIS 1 HE2 HIS 1 -3.310 14.373 -12.522 No H/Q in entry = 8 In of MODEL 7 1 H HIS 2 H HIS 2 -2.644 7.633 -12.874 2 HA HIS 2 HA HIS 2 -4.301 5.353 -13.711 3 HB2 HIS 2 HB2 HIS 2 -1.328 5.450 -13.163 4 HB3 HIS 2 HB3 HIS 2 -2.222 4.030 -13.694 5 HD1 HIS 2 HD1 HIS 2 -2.946 3.939 -16.183 6 HD2 HIS 2 HD2 HIS 2 -0.788 7.343 -15.145 7 HE1 HIS 2 HE1 HIS 2 -2.289 5.021 -18.357 8 HE2 HIS 2 HE2 HIS 2 -0.925 7.037 -17.709 No H/Q in entry = 8 In of MODEL 7 1 H PHE 3 H PHE 3 -1.757 5.708 -11.243 2 HA PHE 3 HA PHE 3 -3.652 4.707 -9.241 3 HB2 PHE 3 HB2 PHE 3 -0.885 3.611 -9.777 4 HB3 PHE 3 HB3 PHE 3 -1.787 3.284 -8.302 5 HD1 PHE 3 HD1 PHE 3 -4.001 2.091 -8.482 6 HD2 PHE 3 HD2 PHE 3 -1.254 2.360 -11.722 7 HE1 PHE 3 HE1 PHE 3 -5.113 0.192 -9.580 8 HE2 PHE 3 HE2 PHE 3 -2.362 0.462 -12.825 9 HZ PHE 3 HZ PHE 3 -4.295 -0.624 -11.754 No H/Q in entry = 9 In of MODEL 7 1 H THR 4 H THR 4 -3.549 7.107 -8.924 2 HA THR 4 HA THR 4 -1.204 8.140 -7.604 3 HB THR 4 HB THR 4 -2.720 10.146 -7.234 4 HG1 THR 4 HG1 THR 4 -4.656 10.079 -8.577 5 HG21 THR 4 HG21 THR 4 -2.358 9.160 -10.068 6 HG22 THR 4 HG22 THR 4 -2.652 10.832 -9.590 7 HG23 THR 4 HG23 THR 4 -1.157 10.027 -9.112 No H/Q in entry = 7 In of MODEL 7 1 H LEU 5 H LEU 5 -1.378 9.152 -5.444 2 HA LEU 5 HA LEU 5 -2.470 7.357 -3.538 3 HB2 LEU 5 HB2 LEU 5 -1.218 10.079 -3.248 4 HB3 LEU 5 HB3 LEU 5 -1.799 9.157 -1.881 5 HG LEU 5 HG LEU 5 -0.194 7.317 -2.616 6 HD11 LEU 5 HD11 LEU 5 0.221 8.123 -4.883 7 HD12 LEU 5 HD12 LEU 5 0.971 9.581 -4.231 8 HD13 LEU 5 HD13 LEU 5 1.717 8.006 -3.956 9 HD21 LEU 5 HD21 LEU 5 0.896 9.974 -1.699 10 HD22 LEU 5 HD22 LEU 5 0.197 8.719 -0.677 11 HD23 LEU 5 HD23 LEU 5 1.710 8.419 -1.533 No H/Q in entry = 11 In of MODEL 7 1 H GLU 6 H GLU 6 -3.538 10.443 -4.871 2 HA GLU 6 HA GLU 6 -5.832 10.804 -3.281 3 HB2 GLU 6 HB2 GLU 6 -5.478 11.328 -6.250 4 HB3 GLU 6 HB3 GLU 6 -6.776 11.972 -5.253 5 HG2 GLU 6 HG2 GLU 6 -5.211 13.270 -3.970 6 HG3 GLU 6 HG3 GLU 6 -3.854 12.544 -4.830 No H/Q in entry = 6 In of MODEL 7 1 H SER 7 H SER 7 -5.337 8.814 -6.256 2 HA SER 7 HA SER 7 -7.930 7.910 -6.492 3 HB2 SER 7 HB2 SER 7 -6.095 7.563 -8.144 4 HB3 SER 7 HB3 SER 7 -5.436 6.310 -7.098 5 HG SER 7 HG SER 7 -7.518 5.238 -7.325 No H/Q in entry = 5 In of MODEL 7 1 H SER 8 H SER 8 -5.717 7.117 -3.969 2 HA SER 8 HA SER 8 -7.223 4.702 -3.346 3 HB2 SER 8 HB2 SER 8 -4.636 5.652 -2.141 4 HB3 SER 8 HB3 SER 8 -5.453 4.117 -1.802 5 HG SER 8 HG SER 8 -4.249 4.985 -4.222 No H/Q in entry = 5 In of MODEL 7 1 H LEU 9 H LEU 9 -7.208 7.974 -2.283 2 HA LEU 9 HA LEU 9 -6.912 7.647 0.449 3 HB2 LEU 9 HB2 LEU 9 -8.344 9.802 -1.053 4 HB3 LEU 9 HB3 LEU 9 -7.882 9.892 0.639 5 HG LEU 9 HG LEU 9 -5.901 9.446 -1.579 6 HD11 LEU 9 HD11 LEU 9 -7.055 11.518 -1.937 7 HD12 LEU 9 HD12 LEU 9 -6.736 12.016 -0.276 8 HD13 LEU 9 HD13 LEU 9 -5.397 11.812 -1.407 9 HD21 LEU 9 HD21 LEU 9 -5.590 10.309 1.298 10 HD22 LEU 9 HD22 LEU 9 -5.130 8.747 0.616 11 HD23 LEU 9 HD23 LEU 9 -4.284 10.217 0.116 No H/Q in entry = 11 In of MODEL 7 1 H ASP 10 H ASP 10 -9.843 7.364 -1.354 2 HA ASP 10 HA ASP 10 -11.358 6.975 1.120 3 HB2 ASP 10 HB2 ASP 10 -12.178 7.319 -1.758 4 HB3 ASP 10 HB3 ASP 10 -13.314 6.771 -0.530 No H/Q in entry = 4 In of MODEL 7 1 H THR 11 H THR 11 -9.487 5.125 -0.784 2 HA THR 11 HA THR 11 -11.182 2.775 -0.334 3 HB THR 11 HB THR 11 -10.058 1.757 -2.368 4 HG1 THR 11 HG1 THR 11 -9.574 4.438 -3.158 5 HG21 THR 11 HG21 THR 11 -12.381 2.529 -2.399 6 HG22 THR 11 HG22 THR 11 -11.839 4.157 -2.804 7 HG23 THR 11 HG23 THR 11 -11.590 2.837 -3.944 No H/Q in entry = 7 In of MODEL 7 1 H HIS 12 H HIS 12 -8.044 2.543 -1.776 2 HA HIS 12 HA HIS 12 -7.191 0.607 0.023 3 HB2 HIS 12 HB2 HIS 12 -5.190 2.244 -1.501 4 HB3 HIS 12 HB3 HIS 12 -5.165 0.526 -1.152 5 HD1 HIS 12 HD1 HIS 12 -5.214 2.373 -3.992 6 HD2 HIS 12 HD2 HIS 12 -7.932 -0.413 -2.524 7 HE1 HIS 12 HE1 HIS 12 -6.434 1.478 -6.009 8 HE2 HIS 12 HE2 HIS 12 -8.048 -0.229 -5.103 No H/Q in entry = 8 In of MODEL 7 1 H LEU 13 H LEU 13 -6.633 4.095 0.042 2 HA LEU 13 HA LEU 13 -4.842 3.708 2.351 3 HB2 LEU 13 HB2 LEU 13 -4.868 5.675 0.137 4 HB3 LEU 13 HB3 LEU 13 -4.313 6.220 1.707 5 HG LEU 13 HG LEU 13 -2.388 5.568 0.456 6 HD11 LEU 13 HD11 LEU 13 -2.511 4.874 2.856 7 HD12 LEU 13 HD12 LEU 13 -2.948 3.259 2.300 8 HD13 LEU 13 HD13 LEU 13 -1.386 3.949 1.868 9 HD21 LEU 13 HD21 LEU 13 -3.772 2.939 -0.036 10 HD22 LEU 13 HD22 LEU 13 -3.419 4.184 -1.234 11 HD23 LEU 13 HD23 LEU 13 -2.099 3.306 -0.459 No H/Q in entry = 11 In of MODEL 7 1 H LYS 14 H LYS 14 -7.747 3.801 2.363 2 HA LYS 14 HA LYS 14 -8.694 6.321 3.240 3 HB2 LYS 14 HB2 LYS 14 -10.757 5.208 3.690 4 HB3 LYS 14 HB3 LYS 14 -10.092 4.517 2.223 5 HG2 LYS 14 HG2 LYS 14 -9.214 2.631 3.614 6 HG3 LYS 14 HG3 LYS 14 -10.117 3.298 4.974 7 HD2 LYS 14 HD2 LYS 14 -11.271 2.350 2.349 8 HD3 LYS 14 HD3 LYS 14 -11.375 1.511 3.897 9 HE2 LYS 14 HE2 LYS 14 -12.564 4.210 3.265 10 HE3 LYS 14 HE3 LYS 14 -13.449 2.690 3.358 11 HZ1 LYS 14 HZ1 LYS 14 -12.841 2.520 5.692 12 HZ2 LYS 14 HZ2 LYS 14 -11.991 3.979 5.604 13 HZ3 LYS 14 HZ3 LYS 14 -13.667 3.965 5.395 No H/Q in entry = 13 In of MODEL 7 1 H TRP 15 H TRP 15 -7.053 3.796 4.858 2 HA TRP 15 HA TRP 15 -8.089 4.291 7.487 3 HB2 TRP 15 HB2 TRP 15 -6.215 2.783 8.191 4 HB3 TRP 15 HB3 TRP 15 -7.281 2.082 6.975 5 HD1 TRP 15 HD1 TRP 15 -6.307 1.791 4.510 6 HE1 TRP 15 HE1 TRP 15 -3.905 1.678 3.617 7 HE3 TRP 15 HE3 TRP 15 -3.852 3.684 8.571 8 HZ2 TRP 15 HZ2 TRP 15 -1.296 2.308 4.520 9 HZ3 TRP 15 HZ3 TRP 15 -1.403 3.895 8.478 10 HH2 TRP 15 HH2 TRP 15 -0.153 3.219 6.492 No H/Q in entry = 10 In of MODEL 7 1 H LEU 16 H LEU 16 -5.930 5.928 5.510 2 HA LEU 16 HA LEU 16 -4.165 6.939 7.544 3 HB2 LEU 16 HB2 LEU 16 -4.861 8.040 4.810 4 HB3 LEU 16 HB3 LEU 16 -3.593 8.660 5.844 5 HG LEU 16 HG LEU 16 -3.610 5.865 4.698 6 HD11 LEU 16 HD11 LEU 16 -3.485 7.532 2.921 7 HD12 LEU 16 HD12 LEU 16 -2.154 8.330 3.756 8 HD13 LEU 16 HD13 LEU 16 -1.944 6.699 3.121 9 HD21 LEU 16 HD21 LEU 16 -1.473 7.489 6.077 10 HD22 LEU 16 HD22 LEU 16 -2.256 6.035 6.696 11 HD23 LEU 16 HD23 LEU 16 -1.206 5.938 5.278 No H/Q in entry = 11 In of MODEL 7 1 H SER 17 H SER 17 -4.272 8.937 8.511 2 HA SER 17 HA SER 17 -6.955 9.975 8.874 3 HB2 SER 17 HB2 SER 17 -5.168 9.622 10.717 4 HB3 SER 17 HB3 SER 17 -4.471 11.126 10.122 5 HG SER 17 HG SER 17 -6.514 10.798 11.782 No H/Q in entry = 5 In of MODEL 7 1 H GLN 18 H GLN 18 -7.336 12.397 8.727 2 HA GLN 18 HA GLN 18 -6.795 13.273 6.148 3 HB2 GLN 18 HB2 GLN 18 -7.648 14.782 8.613 4 HB3 GLN 18 HB3 GLN 18 -7.420 15.597 7.076 5 HG2 GLN 18 HG2 GLN 18 -9.326 13.325 7.575 6 HG3 GLN 18 HG3 GLN 18 -9.760 15.031 7.509 7 HE21 GLN 18 HE21 GLN 18 -8.873 12.232 5.694 8 HE22 GLN 18 HE22 GLN 18 -9.190 12.888 4.124 No H/Q in entry = 8 In of MODEL 7 1 H GLU 19 H GLU 19 -5.174 14.235 9.160 2 HA GLU 19 HA GLU 19 -3.391 16.038 8.042 3 HB2 GLU 19 HB2 GLU 19 -3.405 14.322 10.495 4 HB3 GLU 19 HB3 GLU 19 -1.988 15.256 10.090 5 HG2 GLU 19 HG2 GLU 19 -4.733 16.411 10.427 6 HG3 GLU 19 HG3 GLU 19 -3.501 16.381 11.687 No H/Q in entry = 6 In of MODEL 7 1 H GLN 20 H GLN 20 -3.237 12.520 8.262 2 HA GLN 20 HA GLN 20 -0.549 12.354 7.308 3 HB2 GLN 20 HB2 GLN 20 -2.726 10.248 7.341 4 HB3 GLN 20 HB3 GLN 20 -1.020 9.944 7.039 5 HG2 GLN 20 HG2 GLN 20 -0.457 10.638 9.276 6 HG3 GLN 20 HG3 GLN 20 -2.132 11.084 9.592 7 HE21 GLN 20 HE21 GLN 20 -0.408 9.176 10.965 8 HE22 GLN 20 HE22 GLN 20 -1.232 7.656 10.896 No H/Q in entry = 8 In of MODEL 7 1 H LYS 21 H LYS 21 -3.758 12.018 5.814 2 HA LYS 21 HA LYS 21 -2.888 11.409 3.214 3 HB2 LYS 21 HB2 LYS 21 -5.358 12.888 4.138 4 HB3 LYS 21 HB3 LYS 21 -5.103 12.314 2.496 5 HG2 LYS 21 HG2 LYS 21 -5.042 10.020 3.283 6 HG3 LYS 21 HG3 LYS 21 -5.219 10.571 4.949 7 HD2 LYS 21 HD2 LYS 21 -7.409 11.482 4.450 8 HD3 LYS 21 HD3 LYS 21 -7.227 11.046 2.748 9 HE2 LYS 21 HE2 LYS 21 -7.214 8.706 3.296 10 HE3 LYS 21 HE3 LYS 21 -7.209 9.067 5.023 11 HZ1 LYS 21 HZ1 LYS 21 -9.399 9.717 3.127 12 HZ2 LYS 21 HZ2 LYS 21 -9.410 8.457 4.254 13 HZ3 LYS 21 HZ3 LYS 21 -9.397 10.061 4.783 No H/Q in entry = 13 In of MODEL 7 1 H ASP 22 H ASP 22 -3.683 14.500 4.718 2 HA ASP 22 HA ASP 22 -3.008 16.166 2.546 3 HB2 ASP 22 HB2 ASP 22 -4.367 16.850 4.514 4 HB3 ASP 22 HB3 ASP 22 -2.919 16.781 5.508 No H/Q in entry = 4 In of MODEL 7 1 H GLU 23 H GLU 23 -1.055 14.848 5.227 2 HA GLU 23 HA GLU 23 1.354 16.135 4.632 3 HB2 GLU 23 HB2 GLU 23 0.504 14.114 6.356 4 HB3 GLU 23 HB3 GLU 23 1.723 13.349 5.338 5 HG2 GLU 23 HG2 GLU 23 3.291 15.090 5.864 6 HG3 GLU 23 HG3 GLU 23 2.069 15.917 6.825 No H/Q in entry = 6 In of MODEL 7 1 H LEU 24 H LEU 24 0.197 12.973 3.420 2 HA LEU 24 HA LEU 24 2.382 12.590 1.699 3 HB2 LEU 24 HB2 LEU 24 -0.301 11.368 2.110 4 HB3 LEU 24 HB3 LEU 24 0.589 10.961 0.657 5 HG LEU 24 HG LEU 24 2.386 10.050 1.935 6 HD11 LEU 24 HD11 LEU 24 2.247 11.703 3.804 7 HD12 LEU 24 HD12 LEU 24 0.983 10.679 4.490 8 HD13 LEU 24 HD13 LEU 24 2.613 10.037 4.249 9 HD21 LEU 24 HD21 LEU 24 -0.260 9.119 2.994 10 HD22 LEU 24 HD22 LEU 24 0.531 8.567 1.520 11 HD23 LEU 24 HD23 LEU 24 1.249 8.212 3.089 No H/Q in entry = 11 In of MODEL 7 1 H LEU 25 H LEU 25 -0.846 13.980 1.191 2 HA LEU 25 HA LEU 25 -0.661 14.313 -1.593 3 HB2 LEU 25 HB2 LEU 25 -2.152 15.884 0.501 4 HB3 LEU 25 HB3 LEU 25 -2.306 16.195 -1.214 5 HG LEU 25 HG LEU 25 -3.032 13.623 0.182 6 HD11 LEU 25 HD11 LEU 25 -4.747 15.765 -1.065 7 HD12 LEU 25 HD12 LEU 25 -5.326 14.225 -0.429 8 HD13 LEU 25 HD13 LEU 25 -4.601 15.411 0.656 9 HD21 LEU 25 HD21 LEU 25 -3.227 14.425 -2.716 10 HD22 LEU 25 HD22 LEU 25 -2.223 13.146 -2.035 11 HD23 LEU 25 HD23 LEU 25 -3.978 12.995 -2.016 No H/Q in entry = 11 In of MODEL 7 1 H LYS 26 H LYS 26 0.379 16.339 1.088 2 HA LYS 26 HA LYS 26 1.273 18.541 -0.477 3 HB2 LYS 26 HB2 LYS 26 0.873 18.345 2.103 4 HB3 LYS 26 HB3 LYS 26 2.543 17.796 2.129 5 HG2 LYS 26 HG2 LYS 26 3.046 19.935 0.794 6 HG3 LYS 26 HG3 LYS 26 1.454 20.467 1.334 7 HD2 LYS 26 HD2 LYS 26 2.973 21.316 2.921 8 HD3 LYS 26 HD3 LYS 26 2.237 19.906 3.686 9 HE2 LYS 26 HE2 LYS 26 4.592 19.832 4.099 10 HE3 LYS 26 HE3 LYS 26 4.195 18.563 2.942 11 HZ1 LYS 26 HZ1 LYS 26 4.895 20.146 1.159 12 HZ2 LYS 26 HZ2 LYS 26 5.465 21.179 2.371 13 HZ3 LYS 26 HZ3 LYS 26 6.146 19.643 2.184 No H/Q in entry = 13 In of MODEL 7 1 H MET 27 H MET 27 2.885 15.687 0.852 2 HA MET 27 HA MET 27 5.406 16.151 -0.108 3 HB2 MET 27 HB2 MET 27 3.944 13.525 0.173 4 HB3 MET 27 HB3 MET 27 5.670 13.654 -0.130 5 HG2 MET 27 HG2 MET 27 5.967 14.839 1.969 6 HG3 MET 27 HG3 MET 27 4.232 14.755 2.270 7 HE1 MET 27 HE1 MET 27 7.546 12.701 1.864 8 HE2 MET 27 HE2 MET 27 6.973 11.051 2.100 9 HE3 MET 27 HE3 MET 27 6.481 11.960 0.670 No H/Q in entry = 9 In of MODEL 7 1 H LYS 28 H LYS 28 2.848 14.286 -1.796 2 HA LYS 28 HA LYS 28 4.268 13.872 -4.177 3 HB2 LYS 28 HB2 LYS 28 2.160 12.722 -3.515 4 HB3 LYS 28 HB3 LYS 28 1.285 14.210 -3.845 5 HG2 LYS 28 HG2 LYS 28 1.060 12.682 -5.699 6 HG3 LYS 28 HG3 LYS 28 1.996 14.093 -6.193 7 HD2 LYS 28 HD2 LYS 28 4.058 12.846 -5.979 8 HD3 LYS 28 HD3 LYS 28 3.184 11.447 -5.353 9 HE2 LYS 28 HE2 LYS 28 3.716 11.093 -7.681 10 HE3 LYS 28 HE3 LYS 28 1.975 11.285 -7.495 11 HZ1 LYS 28 HZ1 LYS 28 2.247 13.623 -8.190 12 HZ2 LYS 28 HZ2 LYS 28 3.888 13.329 -8.485 13 HZ3 LYS 28 HZ3 LYS 28 2.707 12.522 -9.386 No H/Q in entry = 13 In of MODEL 7 1 H LYS 29 H LYS 29 2.162 16.502 -3.141 2 HA LYS 29 HA LYS 29 2.091 17.981 -5.498 3 HB2 LYS 29 HB2 LYS 29 0.656 18.416 -3.547 4 HB3 LYS 29 HB3 LYS 29 2.051 18.993 -2.651 5 HG2 LYS 29 HG2 LYS 29 2.325 20.775 -4.377 6 HG3 LYS 29 HG3 LYS 29 0.789 20.253 -5.072 7 HD2 LYS 29 HD2 LYS 29 1.217 21.261 -2.260 8 HD3 LYS 29 HD3 LYS 29 0.479 22.163 -3.584 9 HE2 LYS 29 HE2 LYS 29 -1.301 20.461 -3.707 10 HE3 LYS 29 HE3 LYS 29 -0.578 19.632 -2.329 11 HZ1 LYS 29 HZ1 LYS 29 -1.622 22.411 -2.298 12 HZ2 LYS 29 HZ2 LYS 29 -2.425 21.061 -1.678 13 HZ3 LYS 29 HZ3 LYS 29 -0.979 21.579 -0.976 No H/Q in entry = 13 In of MODEL 7 1 H ASP 30 H ASP 30 4.376 18.203 -2.775 2 HA ASP 30 HA ASP 30 5.768 20.388 -4.032 3 HB2 ASP 30 HB2 ASP 30 6.210 18.879 -1.462 4 HB3 ASP 30 HB3 ASP 30 7.350 20.093 -2.033 No H/Q in entry = 4 In of MODEL 7 1 H GLY 31 H GLY 31 5.826 17.215 -4.658 2 HA2 GLY 31 HA2 GLY 31 8.334 17.606 -6.081 3 HA3 GLY 31 HA3 GLY 31 7.113 16.397 -6.436 No H/Q in entry = 3 In of MODEL 7 1 H LYS 32 H LYS 32 7.099 15.717 -3.466 2 HA LYS 32 HA LYS 32 9.583 14.428 -2.994 3 HB2 LYS 32 HB2 LYS 32 6.807 13.866 -1.926 4 HB3 LYS 32 HB3 LYS 32 8.266 13.075 -1.347 5 HG2 LYS 32 HG2 LYS 32 7.933 16.058 -1.302 6 HG3 LYS 32 HG3 LYS 32 7.393 15.024 0.018 7 HD2 LYS 32 HD2 LYS 32 10.208 14.956 -1.034 8 HD3 LYS 32 HD3 LYS 32 9.701 16.059 0.246 9 HE2 LYS 32 HE2 LYS 32 9.014 14.182 1.621 10 HE3 LYS 32 HE3 LYS 32 9.434 13.056 0.332 11 HZ1 LYS 32 HZ1 LYS 32 11.393 14.872 1.618 12 HZ2 LYS 32 HZ2 LYS 32 11.127 13.281 2.117 13 HZ3 LYS 32 HZ3 LYS 32 11.717 13.588 0.563 No H/Q in entry = 13 In of MODEL 7 1 H ALA 33 H ALA 33 10.165 12.353 -3.415 2 HA ALA 33 HA ALA 33 9.134 11.252 -5.864 3 HB1 ALA 33 HB1 ALA 33 11.540 11.234 -5.318 4 HB2 ALA 33 HB2 ALA 33 10.916 9.620 -5.666 5 HB3 ALA 33 HB3 ALA 33 11.207 10.109 -3.996 No H/Q in entry = 5 In of MODEL 7 1 H LYS 34 H LYS 34 8.214 9.122 -6.144 2 HA LYS 34 HA LYS 34 6.226 8.430 -4.336 3 HB2 LYS 34 HB2 LYS 34 7.578 6.776 -6.451 4 HB3 LYS 34 HB3 LYS 34 6.246 6.163 -5.480 5 HG2 LYS 34 HG2 LYS 34 5.129 8.438 -6.295 6 HG3 LYS 34 HG3 LYS 34 6.251 8.190 -7.636 7 HD2 LYS 34 HD2 LYS 34 4.303 6.110 -6.646 8 HD3 LYS 34 HD3 LYS 34 3.981 7.205 -7.989 9 HE2 LYS 34 HE2 LYS 34 5.792 6.274 -9.257 10 HE3 LYS 34 HE3 LYS 34 6.318 5.306 -7.880 11 HZ1 LYS 34 HZ1 LYS 34 3.618 4.984 -9.025 12 HZ2 LYS 34 HZ2 LYS 34 4.942 4.172 -9.681 13 HZ3 LYS 34 HZ3 LYS 34 4.499 3.893 -8.070 No H/Q in entry = 13 In of MODEL 7 1 H LYS 35 H LYS 35 9.556 7.287 -4.495 2 HA LYS 35 HA LYS 35 9.336 5.202 -2.629 3 HB2 LYS 35 HB2 LYS 35 11.604 6.854 -3.647 4 HB3 LYS 35 HB3 LYS 35 11.866 5.840 -2.234 5 HG2 LYS 35 HG2 LYS 35 12.556 4.572 -4.089 6 HG3 LYS 35 HG3 LYS 35 11.000 3.909 -3.597 7 HD2 LYS 35 HD2 LYS 35 10.928 4.029 -5.949 8 HD3 LYS 35 HD3 LYS 35 9.968 5.394 -5.378 9 HE2 LYS 35 HE2 LYS 35 11.826 6.899 -5.762 10 HE3 LYS 35 HE3 LYS 35 12.857 5.549 -6.233 11 HZ1 LYS 35 HZ1 LYS 35 11.391 5.150 -8.120 12 HZ2 LYS 35 HZ2 LYS 35 10.422 6.459 -7.669 13 HZ3 LYS 35 HZ3 LYS 35 12.020 6.721 -8.159 No H/Q in entry = 13 In of MODEL 7 1 H GLU 36 H GLU 36 9.196 8.602 -2.151 2 HA GLU 36 HA GLU 36 10.008 8.428 0.635 3 HB2 GLU 36 HB2 GLU 36 8.985 10.833 -0.879 4 HB3 GLU 36 HB3 GLU 36 9.830 10.828 0.666 5 HG2 GLU 36 HG2 GLU 36 11.803 9.854 -0.494 6 HG3 GLU 36 HG3 GLU 36 10.945 10.061 -2.008 No H/Q in entry = 6 In of MODEL 7 1 H LEU 37 H LEU 37 7.187 8.681 -1.362 2 HA LEU 37 HA LEU 37 5.307 8.904 0.754 3 HB2 LEU 37 HB2 LEU 37 5.126 7.964 -2.100 4 HB3 LEU 37 HB3 LEU 37 3.736 8.029 -1.038 5 HG LEU 37 HG LEU 37 3.833 9.946 -2.507 6 HD11 LEU 37 HD11 LEU 37 2.814 10.205 -0.316 7 HD12 LEU 37 HD12 LEU 37 4.377 10.676 0.352 8 HD13 LEU 37 HD13 LEU 37 3.580 11.704 -0.838 9 HD21 LEU 37 HD21 LEU 37 6.424 10.636 -1.179 10 HD22 LEU 37 HD22 LEU 37 6.203 10.163 -2.863 11 HD23 LEU 37 HD23 LEU 37 5.523 11.681 -2.277 No H/Q in entry = 11 In of MODEL 7 1 H GLU 38 H GLU 38 6.669 6.255 -1.093 2 HA GLU 38 HA GLU 38 5.421 4.032 -0.043 3 HB2 GLU 38 HB2 GLU 38 6.930 3.687 -1.802 4 HB3 GLU 38 HB3 GLU 38 8.201 4.610 -1.019 5 HG2 GLU 38 HG2 GLU 38 9.013 2.508 -0.768 6 HG3 GLU 38 HG3 GLU 38 8.102 2.667 0.731 No H/Q in entry = 6 In of MODEL 7 1 H ALA 39 H ALA 39 7.642 6.197 1.434 2 HA ALA 39 HA ALA 39 8.406 4.334 3.523 3 HB1 ALA 39 HB1 ALA 39 9.264 7.188 3.079 4 HB2 ALA 39 HB2 ALA 39 9.978 6.032 4.203 5 HB3 ALA 39 HB3 ALA 39 10.096 5.758 2.465 No H/Q in entry = 5 In of MODEL 7 1 H LYS 40 H LYS 40 6.570 7.379 3.262 2 HA LYS 40 HA LYS 40 5.992 7.628 5.984 3 HB2 LYS 40 HB2 LYS 40 4.499 8.448 3.499 4 HB3 LYS 40 HB3 LYS 40 3.934 8.828 5.114 5 HG2 LYS 40 HG2 LYS 40 6.551 9.691 3.932 6 HG3 LYS 40 HG3 LYS 40 5.117 10.699 4.111 7 HD2 LYS 40 HD2 LYS 40 5.234 10.330 6.565 8 HD3 LYS 40 HD3 LYS 40 6.750 9.457 6.321 9 HE2 LYS 40 HE2 LYS 40 7.718 11.481 5.302 10 HE3 LYS 40 HE3 LYS 40 6.213 12.343 5.629 11 HZ1 LYS 40 HZ1 LYS 40 6.550 11.956 7.990 12 HZ2 LYS 40 HZ2 LYS 40 8.000 11.144 7.674 13 HZ3 LYS 40 HZ3 LYS 40 7.859 12.791 7.326 No H/Q in entry = 13 In of MODEL 7 1 H ILE 41 H ILE 41 4.137 6.070 3.351 2 HA ILE 41 HA ILE 41 1.995 5.249 4.943 3 HB ILE 41 HB ILE 41 3.050 4.051 2.385 4 HG12 ILE 41 HG12 ILE 41 0.842 6.056 2.876 5 HG13 ILE 41 HG13 ILE 41 2.457 6.460 2.305 6 HG21 ILE 41 HG21 ILE 41 0.362 3.740 3.714 7 HG22 ILE 41 HG22 ILE 41 0.791 3.135 2.115 8 HG23 ILE 41 HG23 ILE 41 1.591 2.489 3.546 9 HD11 ILE 41 HD11 ILE 41 2.065 5.100 0.313 10 HD12 ILE 41 HD12 ILE 41 0.426 4.775 0.883 11 HD13 ILE 41 HD13 ILE 41 0.908 6.422 0.477 No H/Q in entry = 11 In of MODEL 7 1 H LEU 42 H LEU 42 4.905 3.502 3.920 2 HA LEU 42 HA LEU 42 4.288 1.106 5.255 3 HB2 LEU 42 HB2 LEU 42 6.801 2.327 4.199 4 HB3 LEU 42 HB3 LEU 42 6.882 0.854 5.133 5 HG LEU 42 HG LEU 42 5.532 1.295 2.478 6 HD11 LEU 42 HD11 LEU 42 7.707 -0.566 3.398 7 HD12 LEU 42 HD12 LEU 42 7.002 -0.544 1.781 8 HD13 LEU 42 HD13 LEU 42 7.897 0.857 2.375 9 HD21 LEU 42 HD21 LEU 42 5.236 -1.011 4.385 10 HD22 LEU 42 HD22 LEU 42 3.964 -0.028 3.651 11 HD23 LEU 42 HD23 LEU 42 4.908 -1.144 2.657 No H/Q in entry = 11 In of MODEL 7 1 H HIS 43 H HIS 43 5.943 4.031 6.303 2 HA HIS 43 HA HIS 43 6.708 3.091 8.860 3 HB2 HIS 43 HB2 HIS 43 7.482 5.234 7.762 4 HB3 HIS 43 HB3 HIS 43 5.919 5.928 8.174 5 HD1 HIS 43 HD1 HIS 43 9.234 5.126 9.571 6 HD2 HIS 43 HD2 HIS 43 5.511 6.302 10.996 7 HE1 HIS 43 HE1 HIS 43 9.625 5.880 11.934 8 HE2 HIS 43 HE2 HIS 43 7.391 6.738 12.721 No H/Q in entry = 8 In of MODEL 7 1 H TYR 44 H TYR 44 3.806 4.889 7.770 2 HA TYR 44 HA TYR 44 2.464 4.998 10.223 3 HB2 TYR 44 HB2 TYR 44 1.237 4.728 7.464 4 HB3 TYR 44 HB3 TYR 44 0.397 5.275 8.910 5 HD1 TYR 44 HD1 TYR 44 2.550 7.050 10.042 6 HD2 TYR 44 HD2 TYR 44 1.061 6.591 6.090 7 HE1 TYR 44 HE1 TYR 44 3.185 9.377 9.547 8 HE2 TYR 44 HE2 TYR 44 1.688 8.887 5.576 9 HH TYR 44 HH TYR 44 3.666 10.783 7.679 No H/Q in entry = 9 In of MODEL 7 1 H TYR 45 H TYR 45 2.423 2.618 7.657 2 HA TYR 45 HA TYR 45 0.475 0.876 8.557 3 HB2 TYR 45 HB2 TYR 45 1.395 0.826 6.311 4 HB3 TYR 45 HB3 TYR 45 2.978 0.394 6.937 5 HD1 TYR 45 HD1 TYR 45 -0.510 -0.854 7.153 6 HD2 TYR 45 HD2 TYR 45 3.602 -1.782 6.683 7 HE1 TYR 45 HE1 TYR 45 -1.087 -3.222 6.918 8 HE2 TYR 45 HE2 TYR 45 3.050 -4.163 6.434 9 HH TYR 45 HH TYR 45 -0.189 -5.257 6.003 No H/Q in entry = 9 In of MODEL 7 1 H ASP 46 H ASP 46 3.949 0.945 9.275 2 HA ASP 46 HA ASP 46 3.819 -1.546 10.690 3 HB2 ASP 46 HB2 ASP 46 5.858 -0.760 9.455 4 HB3 ASP 46 HB3 ASP 46 6.065 0.489 10.676 No H/Q in entry = 4 In of MODEL 7 1 H GLU 47 H GLU 47 3.207 1.711 11.541 2 HA GLU 47 HA GLU 47 3.668 1.295 14.372 3 HB2 GLU 47 HB2 GLU 47 2.314 3.567 12.904 4 HB3 GLU 47 HB3 GLU 47 2.715 3.556 14.611 5 HG2 GLU 47 HG2 GLU 47 4.689 3.441 12.346 6 HG3 GLU 47 HG3 GLU 47 4.301 4.863 13.308 No H/Q in entry = 6 In of MODEL 7 1 H LEU 48 H LEU 48 1.336 0.375 12.194 2 HA LEU 48 HA LEU 48 -0.981 0.840 13.789 3 HB2 LEU 48 HB2 LEU 48 -0.495 -0.701 11.264 4 HB3 LEU 48 HB3 LEU 48 -2.047 -0.684 12.074 5 HG LEU 48 HG LEU 48 -0.638 1.735 10.945 6 HD11 LEU 48 HD11 LEU 48 -3.011 0.140 10.030 7 HD12 LEU 48 HD12 LEU 48 -2.453 1.646 9.303 8 HD13 LEU 48 HD13 LEU 48 -1.434 0.209 9.244 9 HD21 LEU 48 HD21 LEU 48 -3.378 1.397 12.161 10 HD22 LEU 48 HD22 LEU 48 -2.029 2.289 12.873 11 HD23 LEU 48 HD23 LEU 48 -2.774 2.855 11.376 No H/Q in entry = 11 In of MODEL 7 1 H GLU 49 H GLU 49 -2.228 -0.653 14.667 2 HA GLU 49 HA GLU 49 -1.198 -3.357 15.131 3 HB2 GLU 49 HB2 GLU 49 -1.697 -3.063 17.567 4 HB3 GLU 49 HB3 GLU 49 -0.346 -2.099 16.981 5 HG2 GLU 49 HG2 GLU 49 -1.796 -0.151 16.818 6 HG3 GLU 49 HG3 GLU 49 -3.153 -1.113 17.401 No H/Q in entry = 6 In of MODEL 7 1 H GLY 50 H GLY 50 -2.820 -4.700 16.358 2 HA2 GLY 50 HA2 GLY 50 -5.442 -3.920 16.852 3 HA3 GLY 50 HA3 GLY 50 -4.903 -5.577 16.662 No H/Q in entry = 3 In of MODEL 7 1 H ASP 51 H ASP 51 -7.349 -4.127 15.840 2 HA ASP 51 HA ASP 51 -7.754 -5.405 13.347 3 HB2 ASP 51 HB2 ASP 51 -9.634 -5.072 14.815 4 HB3 ASP 51 HB3 ASP 51 -9.373 -3.333 14.846 No H/Q in entry = 4 In of MODEL 7 1 H ALA 52 H ALA 52 -6.723 -2.177 14.248 2 HA ALA 52 HA ALA 52 -7.334 -0.871 11.825 3 HB1 ALA 52 HB1 ALA 52 -5.019 -0.295 13.668 4 HB2 ALA 52 HB2 ALA 52 -5.689 0.783 12.443 5 HB3 ALA 52 HB3 ALA 52 -6.657 0.337 13.848 No H/Q in entry = 5 In of MODEL 7 1 H LYS 53 H LYS 53 -4.428 -2.522 12.939 2 HA LYS 53 HA LYS 53 -2.865 -2.330 10.644 3 HB2 LYS 53 HB2 LYS 53 -2.109 -3.205 12.850 4 HB3 LYS 53 HB3 LYS 53 -3.024 -4.675 12.539 5 HG2 LYS 53 HG2 LYS 53 -0.757 -5.110 12.019 6 HG3 LYS 53 HG3 LYS 53 -1.630 -5.014 10.496 7 HD2 LYS 53 HD2 LYS 53 -0.827 -2.762 10.138 8 HD3 LYS 53 HD3 LYS 53 -0.042 -2.762 11.718 9 HE2 LYS 53 HE2 LYS 53 0.655 -4.483 9.344 10 HE3 LYS 53 HE3 LYS 53 1.603 -3.153 10.001 11 HZ1 LYS 53 HZ1 LYS 53 1.860 -4.433 12.055 12 HZ2 LYS 53 HZ2 LYS 53 1.012 -5.721 11.367 13 HZ3 LYS 53 HZ3 LYS 53 2.502 -5.249 10.722 No H/Q in entry = 13 In of MODEL 7 1 H LYS 54 H LYS 54 -4.981 -4.982 11.668 2 HA LYS 54 HA LYS 54 -4.804 -6.619 9.466 3 HB2 LYS 54 HB2 LYS 54 -7.266 -6.072 11.122 4 HB3 LYS 54 HB3 LYS 54 -7.033 -7.458 10.067 5 HG2 LYS 54 HG2 LYS 54 -5.048 -8.055 11.472 6 HG3 LYS 54 HG3 LYS 54 -5.565 -6.806 12.601 7 HD2 LYS 54 HD2 LYS 54 -7.706 -7.922 12.873 8 HD3 LYS 54 HD3 LYS 54 -7.226 -9.151 11.704 9 HE2 LYS 54 HE2 LYS 54 -5.871 -8.612 14.344 10 HE3 LYS 54 HE3 LYS 54 -6.987 -9.936 14.018 11 HZ1 LYS 54 HZ1 LYS 54 -5.429 -10.755 12.339 12 HZ2 LYS 54 HZ2 LYS 54 -4.348 -9.518 12.730 13 HZ3 LYS 54 HZ3 LYS 54 -4.725 -10.700 13.875 No H/Q in entry = 13 In of MODEL 7 1 H GLU 55 H GLU 55 -7.125 -3.959 9.990 2 HA GLU 55 HA GLU 55 -8.400 -4.205 7.517 3 HB2 GLU 55 HB2 GLU 55 -8.200 -2.129 9.671 4 HB3 GLU 55 HB3 GLU 55 -8.859 -1.637 8.114 5 HG2 GLU 55 HG2 GLU 55 -9.898 -3.983 9.665 6 HG3 GLU 55 HG3 GLU 55 -10.526 -2.347 9.833 No H/Q in entry = 6 In of MODEL 7 1 H ALA 56 H ALA 56 -5.778 -2.014 8.557 2 HA ALA 56 HA ALA 56 -5.638 -0.702 6.115 3 HB1 ALA 56 HB1 ALA 56 -3.416 0.064 6.796 4 HB2 ALA 56 HB2 ALA 56 -3.354 -1.182 8.041 5 HB3 ALA 56 HB3 ALA 56 -4.528 0.128 8.165 No H/Q in entry = 5 In of MODEL 7 1 H THR 57 H THR 57 -3.695 -3.427 7.320 2 HA THR 57 HA THR 57 -2.129 -3.979 5.156 3 HB THR 57 HB THR 57 -3.571 -5.986 6.902 4 HG1 THR 57 HG1 THR 57 -0.869 -5.213 7.162 5 HG21 THR 57 HG21 THR 57 -1.149 -6.305 5.128 6 HG22 THR 57 HG22 THR 57 -1.735 -7.512 6.276 7 HG23 THR 57 HG23 THR 57 -2.730 -7.049 4.895 No H/Q in entry = 7 In of MODEL 7 1 H GLU 58 H GLU 58 -5.470 -5.030 5.676 2 HA GLU 58 HA GLU 58 -5.699 -6.487 3.235 3 HB2 GLU 58 HB2 GLU 58 -7.779 -5.357 5.096 4 HB3 GLU 58 HB3 GLU 58 -8.168 -6.327 3.679 5 HG2 GLU 58 HG2 GLU 58 -6.601 -8.078 4.699 6 HG3 GLU 58 HG3 GLU 58 -6.748 -7.141 6.183 No H/Q in entry = 6 In of MODEL 7 1 H HIS 59 H HIS 59 -6.018 -3.103 4.000 2 HA HIS 59 HA HIS 59 -7.452 -2.513 1.566 3 HB2 HIS 59 HB2 HIS 59 -6.173 -0.740 3.644 4 HB3 HIS 59 HB3 HIS 59 -6.904 -0.105 2.175 5 HD1 HIS 59 HD1 HIS 59 -9.529 -1.367 1.934 6 HD2 HIS 59 HD2 HIS 59 -7.923 -0.450 5.657 7 HE1 HIS 59 HE1 HIS 59 -11.485 -1.284 3.510 8 HE2 HIS 59 HE2 HIS 59 -10.463 -0.936 5.791 No H/Q in entry = 8 In of MODEL 7 1 H LEU 60 H LEU 60 -4.119 -2.052 2.774 2 HA LEU 60 HA LEU 60 -2.977 -1.274 0.396 3 HB2 LEU 60 HB2 LEU 60 -1.935 -2.855 2.716 4 HB3 LEU 60 HB3 LEU 60 -0.934 -2.536 1.306 5 HG LEU 60 HG LEU 60 -1.381 -0.124 1.648 6 HD11 LEU 60 HD11 LEU 60 -3.384 -0.297 2.933 7 HD12 LEU 60 HD12 LEU 60 -2.466 -0.970 4.282 8 HD13 LEU 60 HD13 LEU 60 -2.164 0.686 3.749 9 HD21 LEU 60 HD21 LEU 60 0.725 -1.117 2.344 10 HD22 LEU 60 HD22 LEU 60 0.229 0.143 3.476 11 HD23 LEU 60 HD23 LEU 60 0.007 -1.556 3.894 No H/Q in entry = 11 In of MODEL 7 1 H LYS 61 H LYS 61 -3.783 -4.548 1.569 2 HA LYS 61 HA LYS 61 -2.730 -6.030 -0.522 3 HB2 LYS 61 HB2 LYS 61 -5.190 -6.433 1.161 4 HB3 LYS 61 HB3 LYS 61 -4.759 -7.567 -0.108 5 HG2 LYS 61 HG2 LYS 61 -2.603 -7.964 0.995 6 HG3 LYS 61 HG3 LYS 61 -3.072 -6.850 2.282 7 HD2 LYS 61 HD2 LYS 61 -4.966 -8.288 2.844 8 HD3 LYS 61 HD3 LYS 61 -4.525 -9.392 1.542 9 HE2 LYS 61 HE2 LYS 61 -2.418 -9.880 2.639 10 HE3 LYS 61 HE3 LYS 61 -2.786 -8.720 3.912 11 HZ1 LYS 61 HZ1 LYS 61 -4.712 -10.088 4.508 12 HZ2 LYS 61 HZ2 LYS 61 -4.273 -11.223 3.335 13 HZ3 LYS 61 HZ3 LYS 61 -3.258 -10.940 4.658 No H/Q in entry = 13 In of MODEL 7 1 H GLY 62 H GLY 62 -6.133 -4.944 -0.280 2 HA2 GLY 62 HA2 GLY 62 -7.563 -4.155 -1.898 3 HA3 GLY 62 HA3 GLY 62 -6.909 -5.456 -2.881 No H/Q in entry = 3 In of MODEL 7 1 H GLY 63 H GLY 63 -5.343 -2.522 -1.628 2 HA2 GLY 63 HA2 GLY 63 -4.023 -0.976 -2.678 3 HA3 GLY 63 HA3 GLY 63 -5.231 -1.025 -3.954 No H/Q in entry = 3 In of MODEL 7 1 H CYS 64 H CYS 64 -2.721 -3.256 -2.774 2 HA CYS 64 HA CYS 64 -1.158 -3.003 -5.137 3 HB2 CYS 64 HB2 CYS 64 -0.106 -3.615 -3.044 4 HB3 CYS 64 HB3 CYS 64 -1.102 -5.062 -2.926 No H/Q in entry = 4 In of MODEL 7 1 H ARG 65 H ARG 65 -3.745 -5.109 -4.142 2 HA ARG 65 HA ARG 65 -3.391 -7.055 -6.191 3 HB2 ARG 65 HB2 ARG 65 -4.643 -7.544 -4.153 4 HB3 ARG 65 HB3 ARG 65 -5.829 -6.317 -4.564 5 HG2 ARG 65 HG2 ARG 65 -6.580 -7.599 -6.452 6 HG3 ARG 65 HG3 ARG 65 -5.293 -8.784 -6.207 7 HD2 ARG 65 HD2 ARG 65 -7.508 -9.510 -5.346 8 HD3 ARG 65 HD3 ARG 65 -6.241 -9.475 -4.122 9 HE ARG 65 HE ARG 65 -8.058 -7.184 -4.374 10 HH11 ARG 65 HH11 ARG 65 -6.944 -9.962 -2.559 11 HH12 ARG 65 HH12 ARG 65 -7.684 -9.459 -1.076 12 HH21 ARG 65 HH21 ARG 65 -9.047 -6.514 -2.424 13 HH22 ARG 65 HH22 ARG 65 -8.886 -7.491 -0.999 No H/Q in entry = 13 In of MODEL 7 1 H GLU 66 H GLU 66 -4.975 -3.962 -5.992 2 HA GLU 66 HA GLU 66 -6.345 -4.178 -8.491 3 HB2 GLU 66 HB2 GLU 66 -6.879 -2.568 -6.589 4 HB3 GLU 66 HB3 GLU 66 -5.480 -1.637 -7.104 5 HG2 GLU 66 HG2 GLU 66 -6.486 -1.279 -9.275 6 HG3 GLU 66 HG3 GLU 66 -7.871 -2.265 -8.810 No H/Q in entry = 6 In of MODEL 7 1 H ILE 67 H ILE 67 -3.211 -3.077 -7.383 2 HA ILE 67 HA ILE 67 -2.293 -2.148 -9.911 3 HB ILE 67 HB ILE 67 -0.801 -3.032 -7.443 4 HG12 ILE 67 HG12 ILE 67 -1.279 -0.308 -8.668 5 HG13 ILE 67 HG13 ILE 67 -2.144 -0.965 -7.281 6 HG21 ILE 67 HG21 ILE 67 0.322 -1.800 -9.959 7 HG22 ILE 67 HG22 ILE 67 1.213 -2.059 -8.460 8 HG23 ILE 67 HG23 ILE 67 0.619 -3.441 -9.385 9 HD11 ILE 67 HD11 ILE 67 0.799 -0.366 -7.404 10 HD12 ILE 67 HD12 ILE 67 -0.431 0.607 -6.599 11 HD13 ILE 67 HD13 ILE 67 -0.067 -1.017 -6.012 No H/Q in entry = 11 In of MODEL 7 1 H LEU 68 H LEU 68 -1.975 -5.217 -8.149 2 HA LEU 68 HA LEU 68 -0.525 -6.606 -10.116 3 HB2 LEU 68 HB2 LEU 68 -0.963 -7.338 -7.737 4 HB3 LEU 68 HB3 LEU 68 -2.568 -7.809 -8.258 5 HG LEU 68 HG LEU 68 -1.603 -9.431 -9.819 6 HD11 LEU 68 HD11 LEU 68 0.473 -8.251 -10.316 7 HD12 LEU 68 HD12 LEU 68 1.045 -8.549 -8.673 8 HD13 LEU 68 HD13 LEU 68 0.795 -9.901 -9.779 9 HD21 LEU 68 HD21 LEU 68 -0.541 -9.681 -7.006 10 HD22 LEU 68 HD22 LEU 68 -2.145 -10.157 -7.559 11 HD23 LEU 68 HD23 LEU 68 -0.720 -11.003 -8.159 No H/Q in entry = 11 In of MODEL 7 1 H LYS 69 H LYS 69 -3.913 -5.959 -9.665 2 HA LYS 69 HA LYS 69 -4.943 -7.526 -11.726 3 HB2 LYS 69 HB2 LYS 69 -6.208 -6.234 -9.938 4 HB3 LYS 69 HB3 LYS 69 -5.984 -4.810 -10.945 5 HG2 LYS 69 HG2 LYS 69 -7.115 -6.111 -12.797 6 HG3 LYS 69 HG3 LYS 69 -7.554 -7.287 -11.556 7 HD2 LYS 69 HD2 LYS 69 -8.643 -5.450 -10.286 8 HD3 LYS 69 HD3 LYS 69 -8.303 -4.368 -11.635 9 HE2 LYS 69 HE2 LYS 69 -9.590 -5.917 -13.105 10 HE3 LYS 69 HE3 LYS 69 -10.043 -6.827 -11.663 11 HZ1 LYS 69 HZ1 LYS 69 -11.068 -4.804 -10.783 12 HZ2 LYS 69 HZ2 LYS 69 -10.676 -3.982 -12.205 13 HZ3 LYS 69 HZ3 LYS 69 -11.768 -5.271 -12.249 No H/Q in entry = 13 In of MODEL 7 1 H HIS 70 H HIS 70 -2.894 -4.862 -11.860 2 HA HIS 70 HA HIS 70 -3.696 -4.155 -14.585 3 HB2 HIS 70 HB2 HIS 70 -3.568 -2.247 -13.052 4 HB3 HIS 70 HB3 HIS 70 -1.916 -2.677 -12.630 5 HD1 HIS 70 HD1 HIS 70 -3.824 -0.604 -14.901 6 HD2 HIS 70 HD2 HIS 70 -0.102 -2.471 -14.934 7 HE1 HIS 70 HE1 HIS 70 -2.518 0.530 -16.720 8 HE2 HIS 70 HE2 HIS 70 -0.347 -0.740 -16.862 No H/Q in entry = 8 In of MODEL 7 1 H VAL 71 H VAL 71 -0.822 -4.662 -12.586 2 HA VAL 71 HA VAL 71 0.999 -4.640 -14.682 3 HB VAL 71 HB VAL 71 1.688 -4.067 -12.479 4 HG11 VAL 71 HG11 VAL 71 1.001 -6.850 -11.696 5 HG12 VAL 71 HG12 VAL 71 1.861 -5.675 -10.687 6 HG13 VAL 71 HG13 VAL 71 0.203 -5.350 -11.202 7 HG21 VAL 71 HG21 VAL 71 2.956 -6.552 -13.513 8 HG22 VAL 71 HG22 VAL 71 3.471 -4.878 -13.717 9 HG23 VAL 71 HG23 VAL 71 3.594 -5.652 -12.140 No H/Q in entry = 9 In of MODEL 7 1 H VAL 72 H VAL 72 -0.404 -7.361 -12.897 2 HA VAL 72 HA VAL 72 0.909 -9.200 -14.723 3 HB VAL 72 HB VAL 72 0.500 -9.398 -12.088 4 HG11 VAL 72 HG11 VAL 72 -1.916 -10.640 -13.309 5 HG12 VAL 72 HG12 VAL 72 -1.248 -11.219 -11.781 6 HG13 VAL 72 HG13 VAL 72 -1.799 -9.550 -11.933 7 HG21 VAL 72 HG21 VAL 72 0.708 -11.569 -14.113 8 HG22 VAL 72 HG22 VAL 72 1.995 -10.799 -13.187 9 HG23 VAL 72 HG23 VAL 72 0.839 -11.860 -12.380 No H/Q in entry = 9 In of MODEL 7 1 H GLY 73 H GLY 73 -1.920 -7.481 -14.464 2 HA2 GLY 73 HA2 GLY 73 -3.074 -8.848 -16.719 3 HA3 GLY 73 HA3 GLY 73 -3.667 -7.373 -15.968 No H/Q in entry = 3 In of MODEL 7 1 H GLU 74 H GLU 74 -5.749 -8.458 -16.336 2 HA GLU 74 HA GLU 74 -6.719 -9.663 -13.955 3 HB2 GLU 74 HB2 GLU 74 -7.992 -9.394 -16.687 4 HB3 GLU 74 HB3 GLU 74 -8.838 -9.903 -15.232 5 HG2 GLU 74 HG2 GLU 74 -8.370 -7.752 -14.193 6 HG3 GLU 74 HG3 GLU 74 -7.489 -7.243 -15.633 No H/Q in entry = 6 In of MODEL 7 1 H GLU 75 H GLU 75 -5.374 -10.816 -16.870 2 HA GLU 75 HA GLU 75 -6.120 -13.494 -16.991 3 HB2 GLU 75 HB2 GLU 75 -4.783 -12.447 -18.697 4 HB3 GLU 75 HB3 GLU 75 -3.488 -12.131 -17.553 5 HG2 GLU 75 HG2 GLU 75 -2.989 -14.463 -17.375 6 HG3 GLU 75 HG3 GLU 75 -4.397 -14.883 -18.353 No H/Q in entry = 6 In of MODEL 7 1 H LYS 76 H LYS 76 -3.166 -12.267 -15.405 2 HA LYS 76 HA LYS 76 -2.713 -14.848 -14.273 3 HB2 LYS 76 HB2 LYS 76 -1.235 -12.257 -13.830 4 HB3 LYS 76 HB3 LYS 76 -0.680 -13.865 -13.417 5 HG2 LYS 76 HG2 LYS 76 -1.242 -12.895 -16.205 6 HG3 LYS 76 HG3 LYS 76 0.353 -13.043 -15.470 7 HD2 LYS 76 HD2 LYS 76 -1.571 -15.324 -15.907 8 HD3 LYS 76 HD3 LYS 76 -0.199 -14.941 -16.949 9 HE2 LYS 76 HE2 LYS 76 1.291 -15.239 -14.992 10 HE3 LYS 76 HE3 LYS 76 -0.103 -15.744 -14.046 11 HZ1 LYS 76 HZ1 LYS 76 0.755 -17.110 -16.533 12 HZ2 LYS 76 HZ2 LYS 76 1.242 -17.592 -14.987 13 HZ3 LYS 76 HZ3 LYS 76 -0.397 -17.638 -15.406 No H/Q in entry = 13 In of MODEL 7 1 H ALA 77 H ALA 77 -3.838 -11.724 -13.088 2 HA ALA 77 HA ALA 77 -3.794 -12.308 -10.341 3 HB1 ALA 77 HB1 ALA 77 -5.415 -10.503 -10.100 4 HB2 ALA 77 HB2 ALA 77 -5.722 -10.530 -11.837 5 HB3 ALA 77 HB3 ALA 77 -4.139 -10.045 -11.229 No H/Q in entry = 5 In of MODEL 7 1 H ALA 78 H ALA 78 -5.891 -13.301 -12.902 2 HA ALA 78 HA ALA 78 -8.056 -14.251 -11.326 3 HB1 ALA 78 HB1 ALA 78 -8.501 -15.654 -13.407 4 HB2 ALA 78 HB2 ALA 78 -8.483 -13.905 -13.623 5 HB3 ALA 78 HB3 ALA 78 -7.087 -14.860 -14.116 No H/Q in entry = 5 In of MODEL 7 1 H GLU 79 H GLU 79 -4.956 -15.512 -12.292 2 HA GLU 79 HA GLU 79 -5.552 -18.223 -11.540 3 HB2 GLU 79 HB2 GLU 79 -2.848 -16.999 -12.065 4 HB3 GLU 79 HB3 GLU 79 -3.258 -18.708 -12.075 5 HG2 GLU 79 HG2 GLU 79 -4.810 -18.173 -14.000 6 HG3 GLU 79 HG3 GLU 79 -4.016 -16.600 -14.062 No H/Q in entry = 6 In of MODEL 7 1 H LEU 80 H LEU 80 -3.746 -15.496 -10.145 2 HA LEU 80 HA LEU 80 -3.012 -16.638 -7.737 3 HB2 LEU 80 HB2 LEU 80 -3.825 -13.894 -8.625 4 HB3 LEU 80 HB3 LEU 80 -3.481 -14.200 -6.936 5 HG LEU 80 HG LEU 80 -1.600 -13.215 -8.183 6 HD11 LEU 80 HD11 LEU 80 -1.147 -15.979 -7.103 7 HD12 LEU 80 HD12 LEU 80 0.109 -14.759 -7.327 8 HD13 LEU 80 HD13 LEU 80 -1.195 -14.484 -6.167 9 HD21 LEU 80 HD21 LEU 80 -1.531 -15.830 -9.652 10 HD22 LEU 80 HD22 LEU 80 -1.827 -14.237 -10.345 11 HD23 LEU 80 HD23 LEU 80 -0.241 -14.620 -9.665 No H/Q in entry = 11 In of MODEL 7 1 H LYS 81 H LYS 81 -6.046 -15.106 -8.713 2 HA LYS 81 HA LYS 81 -7.376 -15.218 -6.256 3 HB2 LYS 81 HB2 LYS 81 -8.174 -13.810 -8.042 4 HB3 LYS 81 HB3 LYS 81 -8.420 -15.198 -9.090 5 HG2 LYS 81 HG2 LYS 81 -10.521 -14.308 -8.194 6 HG3 LYS 81 HG3 LYS 81 -10.239 -15.976 -7.700 7 HD2 LYS 81 HD2 LYS 81 -9.620 -15.308 -5.504 8 HD3 LYS 81 HD3 LYS 81 -9.537 -13.609 -5.972 9 HE2 LYS 81 HE2 LYS 81 -11.572 -14.096 -4.701 10 HE3 LYS 81 HE3 LYS 81 -11.943 -13.576 -6.344 11 HZ1 LYS 81 HZ1 LYS 81 -12.261 -15.903 -6.951 12 HZ2 LYS 81 HZ2 LYS 81 -11.938 -16.378 -5.363 13 HZ3 LYS 81 HZ3 LYS 81 -13.305 -15.445 -5.705 No H/Q in entry = 13 In of MODEL 7 1 H ASN 82 H ASN 82 -7.644 -17.451 -9.045 2 HA ASN 82 HA ASN 82 -9.304 -19.233 -7.584 3 HB2 ASN 82 HB2 ASN 82 -7.931 -19.319 -10.255 4 HB3 ASN 82 HB3 ASN 82 -8.751 -20.724 -9.620 5 HD21 ASN 82 HD21 ASN 82 -9.105 -17.534 -10.885 6 HD22 ASN 82 HD22 ASN 82 -10.822 -17.587 -11.111 No H/Q in entry = 6 In of MODEL 7 1 H LEU 83 H LEU 83 -5.936 -18.735 -7.619 2 HA LEU 83 HA LEU 83 -5.244 -21.378 -6.882 3 HB2 LEU 83 HB2 LEU 83 -3.952 -18.766 -7.028 4 HB3 LEU 83 HB3 LEU 83 -3.406 -19.721 -5.672 5 HG LEU 83 HG LEU 83 -3.340 -20.594 -8.562 6 HD11 LEU 83 HD11 LEU 83 -1.125 -19.725 -6.715 7 HD12 LEU 83 HD12 LEU 83 -0.919 -20.364 -8.347 8 HD13 LEU 83 HD13 LEU 83 -1.743 -18.824 -8.100 9 HD21 LEU 83 HD21 LEU 83 -2.247 -21.927 -6.087 10 HD22 LEU 83 HD22 LEU 83 -3.623 -22.482 -7.040 11 HD23 LEU 83 HD23 LEU 83 -2.008 -22.472 -7.744 No H/Q in entry = 11 In of MODEL 7 1 H LYS 84 H LYS 84 -5.593 -18.393 -4.989 2 HA LYS 84 HA LYS 84 -5.390 -19.504 -2.460 3 HB2 LYS 84 HB2 LYS 84 -5.464 -17.050 -3.026 4 HB3 LYS 84 HB3 LYS 84 -7.211 -17.198 -3.161 5 HG2 LYS 84 HG2 LYS 84 -7.285 -17.970 -0.808 6 HG3 LYS 84 HG3 LYS 84 -5.550 -17.677 -0.695 7 HD2 LYS 84 HD2 LYS 84 -6.650 -15.779 0.229 8 HD3 LYS 84 HD3 LYS 84 -6.004 -15.295 -1.341 9 HE2 LYS 84 HE2 LYS 84 -8.214 -15.627 -2.344 10 HE3 LYS 84 HE3 LYS 84 -8.854 -16.099 -0.773 11 HZ1 LYS 84 HZ1 LYS 84 -7.695 -13.447 -1.431 12 HZ2 LYS 84 HZ2 LYS 84 -9.346 -13.791 -1.285 13 HZ3 LYS 84 HZ3 LYS 84 -8.334 -13.903 0.068 No H/Q in entry = 13 In of MODEL 7 1 H ASP 85 H ASP 85 -8.302 -18.984 -4.389 2 HA ASP 85 HA ASP 85 -10.175 -19.948 -2.543 3 HB2 ASP 85 HB2 ASP 85 -10.722 -18.654 -4.589 4 HB3 ASP 85 HB3 ASP 85 -10.321 -20.070 -5.560 No H/Q in entry = 4 In of MODEL 7 1 H SER 86 H SER 86 -8.303 -21.661 -5.030 2 HA SER 86 HA SER 86 -9.647 -24.141 -4.470 3 HB2 SER 86 HB2 SER 86 -8.778 -23.540 -6.734 4 HB3 SER 86 HB3 SER 86 -7.140 -23.698 -6.104 5 HG SER 86 HG SER 86 -7.896 -25.914 -5.467 No H/Q in entry = 5 In of MODEL 7 1 H GLY 87 H GLY 87 -7.205 -22.463 -2.939 2 HA2 GLY 87 HA2 GLY 87 -6.471 -24.949 -1.514 3 HA3 GLY 87 HA3 GLY 87 -6.641 -23.382 -0.736 No H/Q in entry = 3 In of MODEL 7 1 H ALA 88 H ALA 88 -5.242 -21.869 -2.693 2 HA ALA 88 HA ALA 88 -2.554 -22.878 -2.573 3 HB1 ALA 88 HB1 ALA 88 -3.525 -20.118 -3.291 4 HB2 ALA 88 HB2 ALA 88 -3.207 -21.433 -4.419 5 HB3 ALA 88 HB3 ALA 88 -1.882 -20.719 -3.502 No H/Q in entry = 5 In of MODEL 7 1 H SER 89 H SER 89 -1.294 -22.667 -0.901 2 HA SER 89 HA SER 89 -1.960 -21.191 1.436 3 HB2 SER 89 HB2 SER 89 0.315 -21.962 2.168 4 HB3 SER 89 HB3 SER 89 -0.752 -23.265 1.666 5 HG SER 89 HG SER 89 0.735 -23.772 0.285 No H/Q in entry = 5 In of MODEL 7 1 H LYS 90 H LYS 90 0.050 -19.830 2.376 2 HA LYS 90 HA LYS 90 0.170 -17.509 0.814 3 HB2 LYS 90 HB2 LYS 90 1.795 -16.673 2.431 4 HB3 LYS 90 HB3 LYS 90 0.457 -17.465 3.244 5 HG2 LYS 90 HG2 LYS 90 1.816 -19.430 3.633 6 HG3 LYS 90 HG3 LYS 90 3.156 -18.699 2.745 7 HD2 LYS 90 HD2 LYS 90 3.209 -16.866 4.400 8 HD3 LYS 90 HD3 LYS 90 1.924 -17.672 5.302 9 HE2 LYS 90 HE2 LYS 90 3.366 -19.605 5.649 10 HE3 LYS 90 HE3 LYS 90 4.645 -18.831 4.715 11 HZ1 LYS 90 HZ1 LYS 90 4.595 -17.012 6.397 12 HZ2 LYS 90 HZ2 LYS 90 3.555 -17.964 7.332 13 HZ3 LYS 90 HZ3 LYS 90 5.125 -18.505 6.997 No H/Q in entry = 13 In of MODEL 7 1 H GLU 91 H GLU 91 2.190 -20.352 0.855 2 HA GLU 91 HA GLU 91 4.390 -19.025 -0.383 3 HB2 GLU 91 HB2 GLU 91 4.850 -20.895 1.080 4 HB3 GLU 91 HB3 GLU 91 3.848 -21.959 0.102 5 HG2 GLU 91 HG2 GLU 91 5.418 -21.698 -1.760 6 HG3 GLU 91 HG3 GLU 91 6.439 -20.683 -0.743 No H/Q in entry = 6 In of MODEL 7 1 H GLU 92 H GLU 92 1.911 -21.287 -1.503 2 HA GLU 92 HA GLU 92 2.577 -21.605 -4.147 3 HB2 GLU 92 HB2 GLU 92 -0.159 -21.269 -2.921 4 HB3 GLU 92 HB3 GLU 92 0.186 -21.999 -4.474 5 HG2 GLU 92 HG2 GLU 92 1.204 -23.053 -1.866 6 HG3 GLU 92 HG3 GLU 92 -0.271 -23.596 -2.655 No H/Q in entry = 6 In of MODEL 7 1 H LEU 93 H LEU 93 0.669 -19.057 -2.576 2 HA LEU 93 HA LEU 93 0.432 -17.478 -4.941 3 HB2 LEU 93 HB2 LEU 93 0.233 -16.670 -2.040 4 HB3 LEU 93 HB3 LEU 93 -0.176 -15.629 -3.393 5 HG LEU 93 HG LEU 93 -1.567 -18.186 -2.587 6 HD11 LEU 93 HD11 LEU 93 -2.498 -15.328 -2.706 7 HD12 LEU 93 HD12 LEU 93 -3.507 -16.723 -2.326 8 HD13 LEU 93 HD13 LEU 93 -2.186 -16.272 -1.247 9 HD21 LEU 93 HD21 LEU 93 -2.012 -16.440 -5.005 10 HD22 LEU 93 HD22 LEU 93 -1.469 -18.119 -4.996 11 HD23 LEU 93 HD23 LEU 93 -3.102 -17.715 -4.462 No H/Q in entry = 11 In of MODEL 7 1 H LYS 94 H LYS 94 2.869 -17.641 -2.357 2 HA LYS 94 HA LYS 94 4.237 -15.290 -3.100 3 HB2 LYS 94 HB2 LYS 94 4.566 -16.414 -0.945 4 HB3 LYS 94 HB3 LYS 94 5.252 -17.805 -1.760 5 HG2 LYS 94 HG2 LYS 94 7.141 -16.461 -2.500 6 HG3 LYS 94 HG3 LYS 94 6.450 -15.044 -1.701 7 HD2 LYS 94 HD2 LYS 94 6.616 -16.153 0.456 8 HD3 LYS 94 HD3 LYS 94 7.230 -17.613 -0.320 9 HE2 LYS 94 HE2 LYS 94 8.591 -14.927 -0.413 10 HE3 LYS 94 HE3 LYS 94 8.983 -16.201 0.739 11 HZ1 LYS 94 HZ1 LYS 94 9.188 -16.440 -2.212 12 HZ2 LYS 94 HZ2 LYS 94 10.483 -16.192 -1.160 13 HZ3 LYS 94 HZ3 LYS 94 9.605 -17.633 -1.089 No H/Q in entry = 13 In of MODEL 7 1 H ALA 95 H ALA 95 4.505 -18.632 -4.054 2 HA ALA 95 HA ALA 95 6.766 -18.051 -5.737 3 HB1 ALA 95 HB1 ALA 95 6.763 -20.109 -4.382 4 HB2 ALA 95 HB2 ALA 95 6.865 -20.480 -6.105 5 HB3 ALA 95 HB3 ALA 95 5.328 -20.662 -5.252 No H/Q in entry = 5 In of MODEL 7 1 H LYS 96 H LYS 96 3.356 -18.485 -6.032 2 HA LYS 96 HA LYS 96 3.307 -18.578 -8.856 3 HB2 LYS 96 HB2 LYS 96 1.296 -18.858 -7.458 4 HB3 LYS 96 HB3 LYS 96 1.369 -17.158 -7.021 5 HG2 LYS 96 HG2 LYS 96 -0.297 -17.474 -8.716 6 HG3 LYS 96 HG3 LYS 96 1.050 -16.560 -9.389 7 HD2 LYS 96 HD2 LYS 96 1.891 -18.539 -10.496 8 HD3 LYS 96 HD3 LYS 96 0.646 -19.531 -9.734 9 HE2 LYS 96 HE2 LYS 96 -1.085 -18.283 -10.911 10 HE3 LYS 96 HE3 LYS 96 0.140 -17.252 -11.644 11 HZ1 LYS 96 HZ1 LYS 96 1.046 -19.198 -12.764 12 HZ2 LYS 96 HZ2 LYS 96 -0.150 -20.175 -12.076 13 HZ3 LYS 96 HZ3 LYS 96 -0.581 -18.959 -13.176 No H/Q in entry = 13 In of MODEL 7 1 H VAL 97 H VAL 97 2.851 -15.755 -6.803 2 HA VAL 97 HA VAL 97 2.832 -13.752 -8.607 3 HB VAL 97 HB VAL 97 4.104 -13.701 -5.868 4 HG11 VAL 97 HG11 VAL 97 4.842 -11.799 -7.212 5 HG12 VAL 97 HG12 VAL 97 3.165 -11.411 -7.581 6 HG13 VAL 97 HG13 VAL 97 3.752 -11.294 -5.924 7 HG21 VAL 97 HG21 VAL 97 1.348 -13.026 -6.861 8 HG22 VAL 97 HG22 VAL 97 1.803 -14.408 -5.863 9 HG23 VAL 97 HG23 VAL 97 1.924 -12.771 -5.211 No H/Q in entry = 9 In of MODEL 7 1 H GLU 98 H GLU 98 5.784 -15.154 -7.171 2 HA GLU 98 HA GLU 98 7.606 -13.419 -8.380 3 HB2 GLU 98 HB2 GLU 98 7.882 -16.287 -7.516 4 HB3 GLU 98 HB3 GLU 98 9.221 -15.376 -8.210 5 HG2 GLU 98 HG2 GLU 98 7.705 -14.727 -5.692 6 HG3 GLU 98 HG3 GLU 98 9.356 -15.331 -5.808 No H/Q in entry = 6 In of MODEL 7 1 H GLU 99 H GLU 99 6.353 -16.545 -9.552 2 HA GLU 99 HA GLU 99 7.819 -16.619 -11.933 3 HB2 GLU 99 HB2 GLU 99 5.039 -17.697 -11.424 4 HB3 GLU 99 HB3 GLU 99 6.064 -18.129 -12.785 5 HG2 GLU 99 HG2 GLU 99 7.743 -18.969 -11.133 6 HG3 GLU 99 HG3 GLU 99 6.531 -18.724 -9.879 No H/Q in entry = 6 In of MODEL 7 1 H ALA 100 H ALA 100 4.711 -15.102 -11.163 2 HA ALA 100 HA ALA 100 4.131 -14.270 -13.810 3 HB1 ALA 100 HB1 ALA 100 2.467 -14.427 -12.012 4 HB2 ALA 100 HB2 ALA 100 2.475 -12.841 -12.784 5 HB3 ALA 100 HB3 ALA 100 3.229 -13.056 -11.205 No H/Q in entry = 5 In of MODEL 7 1 H LEU 101 H LEU 101 5.316 -12.355 -11.043 2 HA LEU 101 HA LEU 101 5.994 -10.084 -12.481 3 HB2 LEU 101 HB2 LEU 101 6.606 -11.189 -9.793 4 HB3 LEU 101 HB3 LEU 101 7.524 -9.803 -10.354 5 HG LEU 101 HG LEU 101 5.482 -8.536 -10.639 6 HD11 LEU 101 HD11 LEU 101 3.961 -10.352 -11.203 7 HD12 LEU 101 HD12 LEU 101 4.000 -10.883 -9.521 8 HD13 LEU 101 HD13 LEU 101 3.327 -9.303 -9.934 9 HD21 LEU 101 HD21 LEU 101 5.695 -9.820 -7.939 10 HD22 LEU 101 HD22 LEU 101 6.605 -8.419 -8.504 11 HD23 LEU 101 HD23 LEU 101 4.858 -8.307 -8.283 No H/Q in entry = 11 In of MODEL 7 1 H HIS 102 H HIS 102 7.648 -13.094 -12.461 2 HA HIS 102 HA HIS 102 10.046 -11.734 -13.334 3 HB2 HIS 102 HB2 HIS 102 9.425 -14.702 -13.186 4 HB3 HIS 102 HB3 HIS 102 10.964 -14.059 -13.744 5 HD1 HIS 102 HD1 HIS 102 10.954 -15.933 -11.374 6 HD2 HIS 102 HD2 HIS 102 10.611 -11.811 -10.998 7 HE1 HIS 102 HE1 HIS 102 11.653 -15.411 -9.018 8 HE2 HIS 102 HE2 HIS 102 11.184 -12.951 -8.749 No H/Q in entry = 8 In of MODEL 7 1 H ALA 103 H ALA 103 7.602 -13.956 -14.621 2 HA ALA 103 HA ALA 103 8.511 -13.949 -17.290 3 HB1 ALA 103 HB1 ALA 103 5.749 -14.582 -16.281 4 HB2 ALA 103 HB2 ALA 103 7.108 -15.704 -16.286 5 HB3 ALA 103 HB3 ALA 103 6.464 -15.095 -17.811 No H/Q in entry = 5 In of MODEL 7 1 H VAL 104 H VAL 104 7.273 -11.357 -15.713 2 HA VAL 104 HA VAL 104 5.600 -10.302 -17.779 3 HB VAL 104 HB VAL 104 5.212 -9.721 -15.448 4 HG11 VAL 104 HG11 VAL 104 8.002 -8.642 -15.647 5 HG12 VAL 104 HG12 VAL 104 6.890 -8.245 -14.333 6 HG13 VAL 104 HG13 VAL 104 7.395 -9.914 -14.577 7 HG21 VAL 104 HG21 VAL 104 6.181 -7.382 -17.079 8 HG22 VAL 104 HG22 VAL 104 4.560 -8.068 -17.093 9 HG23 VAL 104 HG23 VAL 104 5.163 -7.265 -15.644 No H/Q in entry = 9 In of MODEL 7 1 H THR 105 H THR 105 6.160 -8.712 -19.253 2 HA THR 105 HA THR 105 8.928 -7.778 -19.219 3 HB THR 105 HB THR 105 9.007 -8.259 -21.750 4 HG1 THR 105 HG1 THR 105 6.962 -8.979 -22.169 5 HG21 THR 105 HG21 THR 105 9.182 -10.521 -19.762 6 HG22 THR 105 HG22 THR 105 9.895 -10.524 -21.375 7 HG23 THR 105 HG23 THR 105 10.466 -9.380 -20.162 No H/Q in entry = 7 In of MODEL 7 1 H ASP 106 H ASP 106 5.733 -6.912 -19.563 2 HA ASP 106 HA ASP 106 6.242 -4.810 -21.469 3 HB2 ASP 106 HB2 ASP 106 3.991 -5.983 -21.065 4 HB3 ASP 106 HB3 ASP 106 3.863 -4.973 -19.633 No H/Q in entry = 4 In of MODEL 7 1 H GLU 107 H GLU 107 6.801 -2.790 -21.055 2 HA GLU 107 HA GLU 107 8.526 -2.440 -18.927 3 HB2 GLU 107 HB2 GLU 107 7.311 -0.302 -20.677 4 HB3 GLU 107 HB3 GLU 107 8.746 -0.111 -19.687 5 HG2 GLU 107 HG2 GLU 107 9.443 -0.435 -21.928 6 HG3 GLU 107 HG3 GLU 107 9.831 -1.900 -21.032 No H/Q in entry = 6 In of MODEL 7 1 H GLU 108 H GLU 108 5.463 -0.764 -19.443 2 HA GLU 108 HA GLU 108 5.386 0.846 -17.210 3 HB2 GLU 108 HB2 GLU 108 3.781 1.119 -18.944 4 HB3 GLU 108 HB3 GLU 108 3.220 -0.538 -18.782 5 HG2 GLU 108 HG2 GLU 108 2.482 0.151 -16.430 6 HG3 GLU 108 HG3 GLU 108 2.691 1.807 -17.004 No H/Q in entry = 6 In of MODEL 7 1 H LYS 109 H LYS 109 4.480 -2.513 -17.567 2 HA LYS 109 HA LYS 109 3.187 -2.835 -15.086 3 HB2 LYS 109 HB2 LYS 109 4.369 -4.729 -17.100 4 HB3 LYS 109 HB3 LYS 109 3.615 -5.303 -15.624 5 HG2 LYS 109 HG2 LYS 109 2.051 -5.397 -17.454 6 HG3 LYS 109 HG3 LYS 109 1.518 -4.212 -16.284 7 HD2 LYS 109 HD2 LYS 109 2.265 -2.408 -17.652 8 HD3 LYS 109 HD3 LYS 109 3.035 -3.515 -18.781 9 HE2 LYS 109 HE2 LYS 109 0.856 -4.417 -19.399 10 HE3 LYS 109 HE3 LYS 109 0.073 -3.343 -18.237 11 HZ1 LYS 109 HZ1 LYS 109 1.714 -2.416 -20.532 12 HZ2 LYS 109 HZ2 LYS 109 0.021 -2.520 -20.553 13 HZ3 LYS 109 HZ3 LYS 109 0.785 -1.451 -19.483 No H/Q in entry = 13 In of MODEL 7 1 H LYS 110 H LYS 110 6.502 -3.390 -16.184 2 HA LYS 110 HA LYS 110 7.325 -4.603 -13.723 3 HB2 LYS 110 HB2 LYS 110 8.996 -3.422 -15.945 4 HB3 LYS 110 HB3 LYS 110 9.597 -4.453 -14.654 5 HG2 LYS 110 HG2 LYS 110 8.128 -6.264 -15.492 6 HG3 LYS 110 HG3 LYS 110 7.684 -5.222 -16.841 7 HD2 LYS 110 HD2 LYS 110 10.488 -6.134 -16.190 8 HD3 LYS 110 HD3 LYS 110 9.456 -6.836 -17.432 9 HE2 LYS 110 HE2 LYS 110 10.756 -5.398 -18.674 10 HE3 LYS 110 HE3 LYS 110 9.350 -4.392 -18.337 11 HZ1 LYS 110 HZ1 LYS 110 10.595 -3.369 -16.509 12 HZ2 LYS 110 HZ2 LYS 110 11.940 -4.322 -16.879 13 HZ3 LYS 110 HZ3 LYS 110 11.388 -3.169 -17.985 No H/Q in entry = 13 In of MODEL 7 1 H GLN 111 H GLN 111 6.938 -1.407 -14.810 2 HA GLN 111 HA GLN 111 8.628 -0.094 -12.969 3 HB2 GLN 111 HB2 GLN 111 7.536 1.036 -14.886 4 HB3 GLN 111 HB3 GLN 111 5.984 0.865 -14.079 5 HG2 GLN 111 HG2 GLN 111 6.900 3.110 -13.819 6 HG3 GLN 111 HG3 GLN 111 6.737 2.288 -12.267 7 HE21 GLN 111 HE21 GLN 111 8.577 1.674 -11.144 8 HE22 GLN 111 HE22 GLN 111 10.146 2.289 -11.535 No H/Q in entry = 8 In of MODEL 7 1 H TYR 112 H TYR 112 5.365 -1.412 -12.688 2 HA TYR 112 HA TYR 112 4.924 -0.428 -10.007 3 HB2 TYR 112 HB2 TYR 112 3.564 -2.684 -11.508 4 HB3 TYR 112 HB3 TYR 112 3.020 -2.000 -9.983 5 HD1 TYR 112 HD1 TYR 112 3.068 0.794 -10.248 6 HD2 TYR 112 HD2 TYR 112 2.184 -2.090 -13.249 7 HE1 TYR 112 HE1 TYR 112 1.739 2.470 -11.467 8 HE2 TYR 112 HE2 TYR 112 0.862 -0.420 -14.478 9 HH TYR 112 HH TYR 112 -0.322 1.651 -14.067 No H/Q in entry = 9 In of MODEL 7 1 H ILE 113 H ILE 113 6.221 -3.323 -11.495 2 HA ILE 113 HA ILE 113 6.337 -4.898 -9.167 3 HB ILE 113 HB ILE 113 7.976 -4.974 -11.686 4 HG12 ILE 113 HG12 ILE 113 5.712 -6.672 -10.636 5 HG13 ILE 113 HG13 ILE 113 5.550 -5.412 -11.847 6 HG21 ILE 113 HG21 ILE 113 7.906 -6.984 -9.433 7 HG22 ILE 113 HG22 ILE 113 8.685 -7.224 -10.998 8 HG23 ILE 113 HG23 ILE 113 9.285 -5.987 -9.893 9 HD11 ILE 113 HD11 ILE 113 7.160 -7.922 -12.123 10 HD12 ILE 113 HD12 ILE 113 5.591 -7.597 -12.860 11 HD13 ILE 113 HD13 ILE 113 7.002 -6.653 -13.336 No H/Q in entry = 11 In of MODEL 7 1 H ALA 114 H ALA 114 8.658 -2.601 -10.577 2 HA ALA 114 HA ALA 114 10.611 -2.929 -8.505 3 HB1 ALA 114 HB1 ALA 114 11.229 -2.053 -10.696 4 HB2 ALA 114 HB2 ALA 114 11.612 -0.886 -9.432 5 HB3 ALA 114 HB3 ALA 114 10.186 -0.653 -10.445 No H/Q in entry = 5 In of MODEL 7 1 H ASP 115 H ASP 115 7.918 -0.747 -9.094 2 HA ASP 115 HA ASP 115 8.530 1.028 -6.955 3 HB2 ASP 115 HB2 ASP 115 7.213 1.680 -8.941 4 HB3 ASP 115 HB3 ASP 115 5.907 0.630 -8.404 No H/Q in entry = 4 In of MODEL 7 1 H PHE 116 H PHE 116 5.976 -1.426 -7.307 2 HA PHE 116 HA PHE 116 5.388 -1.087 -4.458 3 HB2 PHE 116 HB2 PHE 116 3.700 -1.297 -6.738 4 HB3 PHE 116 HB3 PHE 116 3.439 -2.735 -5.752 5 HD1 PHE 116 HD1 PHE 116 2.582 -2.551 -3.488 6 HD2 PHE 116 HD2 PHE 116 3.068 0.861 -5.988 7 HE1 PHE 116 HE1 PHE 116 1.136 -1.259 -1.978 8 HE2 PHE 116 HE2 PHE 116 1.617 2.172 -4.469 9 HZ PHE 116 HZ PHE 116 0.649 1.099 -2.461 No H/Q in entry = 9 In of MODEL 7 1 H GLY 117 H GLY 117 6.695 -3.291 -6.702 2 HA2 GLY 117 HA2 GLY 117 7.557 -5.420 -6.432 3 HA3 GLY 117 HA3 GLY 117 5.919 -5.788 -5.936 No H/Q in entry = 3 In of MODEL 7 1 HA PRO 118 HA PRO 118 9.394 -6.414 -2.570 2 HB2 PRO 118 HB2 PRO 118 9.975 -3.567 -1.936 3 HB3 PRO 118 HB3 PRO 118 11.066 -4.955 -1.984 4 HG2 PRO 118 HG2 PRO 118 11.082 -3.159 -3.947 5 HG3 PRO 118 HG3 PRO 118 11.274 -4.885 -4.294 6 HD2 PRO 118 HD2 PRO 118 8.894 -3.130 -4.678 7 HD3 PRO 118 HD3 PRO 118 9.470 -4.484 -5.669 No H/Q in entry = 7 In of MODEL 7 1 H ALA 119 H ALA 119 7.667 -3.329 -2.093 2 HA ALA 119 HA ALA 119 7.074 -3.811 0.658 3 HB1 ALA 119 HB1 ALA 119 7.178 -1.567 -0.279 4 HB2 ALA 119 HB2 ALA 119 5.611 -1.882 0.463 5 HB3 ALA 119 HB3 ALA 119 5.777 -1.917 -1.292 No H/Q in entry = 5 In of MODEL 7 1 H CYS 120 H CYS 120 5.383 -4.444 -2.359 2 HA CYS 120 HA CYS 120 2.890 -5.194 -1.355 3 HB2 CYS 120 HB2 CYS 120 3.439 -4.892 -3.754 4 HB3 CYS 120 HB3 CYS 120 4.401 -6.363 -3.702 No H/Q in entry = 4 In of MODEL 7 1 H LYS 121 H LYS 121 5.960 -6.907 -1.461 2 HA LYS 121 HA LYS 121 5.054 -9.499 -0.923 3 HB2 LYS 121 HB2 LYS 121 7.617 -8.272 0.100 4 HB3 LYS 121 HB3 LYS 121 7.287 -9.983 -0.112 5 HG2 LYS 121 HG2 LYS 121 7.388 -7.967 -2.348 6 HG3 LYS 121 HG3 LYS 121 8.723 -9.012 -1.874 7 HD2 LYS 121 HD2 LYS 121 6.026 -10.008 -2.787 8 HD3 LYS 121 HD3 LYS 121 7.430 -9.831 -3.839 9 HE2 LYS 121 HE2 LYS 121 8.661 -11.362 -2.256 10 HE3 LYS 121 HE3 LYS 121 7.109 -11.672 -1.476 11 HZ1 LYS 121 HZ1 LYS 121 6.266 -12.486 -3.604 12 HZ2 LYS 121 HZ2 LYS 121 7.776 -12.218 -4.328 13 HZ3 LYS 121 HZ3 LYS 121 7.613 -13.371 -3.098 No H/Q in entry = 13 In of MODEL 7 1 H LYS 122 H LYS 122 6.007 -6.940 1.418 2 HA LYS 122 HA LYS 122 5.282 -8.499 3.688 3 HB2 LYS 122 HB2 LYS 122 5.500 -6.489 5.002 4 HB3 LYS 122 HB3 LYS 122 6.806 -6.551 3.834 5 HG2 LYS 122 HG2 LYS 122 5.592 -4.948 2.423 6 HG3 LYS 122 HG3 LYS 122 4.334 -4.851 3.657 7 HD2 LYS 122 HD2 LYS 122 5.876 -2.986 3.880 8 HD3 LYS 122 HD3 LYS 122 6.013 -4.058 5.276 9 HE2 LYS 122 HE2 LYS 122 7.994 -5.096 4.259 10 HE3 LYS 122 HE3 LYS 122 7.861 -3.994 2.892 11 HZ1 LYS 122 HZ1 LYS 122 8.323 -3.193 5.713 12 HZ2 LYS 122 HZ2 LYS 122 9.502 -3.251 4.503 13 HZ3 LYS 122 HZ3 LYS 122 8.232 -2.144 4.390 No H/Q in entry = 13 In of MODEL 7 1 H ILE 123 H ILE 123 3.515 -6.444 1.500 2 HA ILE 123 HA ILE 123 1.257 -6.027 3.145 3 HB ILE 123 HB ILE 123 1.550 -5.870 0.167 4 HG12 ILE 123 HG12 ILE 123 1.370 -3.754 2.321 5 HG13 ILE 123 HG13 ILE 123 2.858 -4.272 1.536 6 HG21 ILE 123 HG21 ILE 123 -0.769 -5.122 1.942 7 HG22 ILE 123 HG22 ILE 123 -0.587 -4.593 0.265 8 HG23 ILE 123 HG23 ILE 123 -0.761 -6.310 0.635 9 HD11 ILE 123 HD11 ILE 123 0.520 -3.041 0.128 10 HD12 ILE 123 HD12 ILE 123 1.961 -2.170 0.648 11 HD13 ILE 123 HD13 ILE 123 2.087 -3.437 -0.569 No H/Q in entry = 11 In of MODEL 7 1 H TYR 124 H TYR 124 1.889 -8.209 0.527 2 HA TYR 124 HA TYR 124 -0.376 -9.917 0.857 3 HB2 TYR 124 HB2 TYR 124 2.154 -10.029 -0.752 4 HB3 TYR 124 HB3 TYR 124 1.125 -11.449 -0.622 5 HD1 TYR 124 HD1 TYR 124 0.072 -7.898 -0.858 6 HD2 TYR 124 HD2 TYR 124 0.295 -11.667 -2.818 7 HE1 TYR 124 HE1 TYR 124 -1.338 -7.032 -2.675 8 HE2 TYR 124 HE2 TYR 124 -1.114 -10.807 -4.637 9 HH TYR 124 HH TYR 124 -2.842 -8.989 -4.916 No H/Q in entry = 9 In of MODEL 7 1 H GLY 125 H GLY 125 0.990 -9.625 3.310 2 HA2 GLY 125 HA2 GLY 125 2.303 -10.663 4.954 3 HA3 GLY 125 HA3 GLY 125 3.469 -10.031 3.827 No H/Q in entry = 3 In of MODEL 7 1 H VAL 126 H VAL 126 2.744 -12.229 1.899 2 HA VAL 126 HA VAL 126 3.703 -14.678 2.786 3 HB VAL 126 HB VAL 126 4.573 -14.985 0.475 4 HG11 VAL 126 HG11 VAL 126 1.827 -13.755 0.674 5 HG12 VAL 126 HG12 VAL 126 2.411 -14.725 -0.677 6 HG13 VAL 126 HG13 VAL 126 2.240 -15.451 0.921 7 HG21 VAL 126 HG21 VAL 126 3.742 -12.102 0.126 8 HG22 VAL 126 HG22 VAL 126 5.388 -12.734 0.058 9 HG23 VAL 126 HG23 VAL 126 4.217 -13.195 -1.177 No H/Q in entry = 9 In of MODEL 7 1 H HIS 127 H HIS 127 5.294 -11.661 2.604 2 HA HIS 127 HA HIS 127 7.969 -12.301 2.250 3 HB2 HIS 127 HB2 HIS 127 7.129 -10.000 2.392 4 HB3 HIS 127 HB3 HIS 127 6.749 -10.233 4.091 5 HD1 HIS 127 HD1 HIS 127 8.507 -9.546 5.699 6 HD2 HIS 127 HD2 HIS 127 10.026 -10.149 1.877 7 HE1 HIS 127 HE1 HIS 127 10.910 -8.814 5.805 8 HE2 HIS 127 HE2 HIS 127 11.839 -9.320 3.520 No H/Q in entry = 8 In of MODEL 7 1 H THR 128 H THR 128 5.975 -12.465 5.164 2 HA THR 128 HA THR 128 8.096 -13.691 6.701 3 HB THR 128 HB THR 128 5.143 -13.509 7.355 4 HG1 THR 128 HG1 THR 128 7.271 -11.685 7.579 5 HG21 THR 128 HG21 THR 128 6.369 -15.167 8.687 6 HG22 THR 128 HG22 THR 128 7.558 -13.941 9.124 7 HG23 THR 128 HG23 THR 128 5.889 -13.788 9.676 No H/Q in entry = 7 In of MODEL 7 1 H SER 129 H SER 129 8.657 -15.507 5.533 2 HA SER 129 HA SER 129 6.586 -17.368 4.697 3 HB2 SER 129 HB2 SER 129 9.576 -17.552 4.270 4 HB3 SER 129 HB3 SER 129 8.314 -18.414 3.388 5 HG SER 129 HG SER 129 7.670 -15.933 3.094 No H/Q in entry = 5 In of MODEL 8 1 HA2 GLY -4 HA2 GLY -4 0.580 7.162 -23.087 2 HA3 GLY -4 HA3 GLY -4 2.293 7.252 -22.710 3 H1 GLY -4 H1 GLY -4 2.157 5.035 -21.763 4 H2 GLY -4 H2 GLY -4 1.669 5.035 -23.380 No H/Q in entry = 4 In of MODEL 8 1 H SER -3 H SER -3 1.111 9.249 -21.661 2 HA SER -3 HA SER -3 0.144 8.587 -18.989 3 HB2 SER -3 HB2 SER -3 2.609 8.755 -18.806 4 HB3 SER -3 HB3 SER -3 2.538 10.379 -19.484 5 HG SER -3 HG SER -3 2.474 10.824 -17.399 No H/Q in entry = 5 In of MODEL 8 1 HA PRO -2 HA PRO -2 -2.212 12.159 -20.483 2 HB2 PRO -2 HB2 PRO -2 -4.508 11.559 -19.263 3 HB3 PRO -2 HB3 PRO -2 -3.977 10.672 -20.696 4 HG2 PRO -2 HG2 PRO -2 -3.813 9.890 -17.819 5 HG3 PRO -2 HG3 PRO -2 -4.247 8.903 -19.225 6 HD2 PRO -2 HD2 PRO -2 -1.755 8.933 -18.041 7 HD3 PRO -2 HD3 PRO -2 -2.064 8.448 -19.719 No H/Q in entry = 7 In of MODEL 8 1 H GLU -1 H GLU -1 -0.333 12.583 -18.521 2 HA GLU -1 HA GLU -1 0.218 13.965 -16.819 3 HB2 GLU -1 HB2 GLU -1 -2.629 14.835 -17.196 4 HB3 GLU -1 HB3 GLU -1 -1.666 15.465 -15.869 5 HG2 GLU -1 HG2 GLU -1 -1.582 17.019 -17.665 6 HG3 GLU -1 HG3 GLU -1 0.000 16.255 -17.522 No H/Q in entry = 6 In of MODEL 8 1 H PHE 0 H PHE 0 -3.079 12.905 -16.004 2 HA PHE 0 HA PHE 0 -2.444 12.532 -13.253 3 HB2 PHE 0 HB2 PHE 0 -4.706 13.109 -13.957 4 HB3 PHE 0 HB3 PHE 0 -4.822 11.623 -14.890 5 HD1 PHE 0 HD1 PHE 0 -4.381 12.887 -11.426 6 HD2 PHE 0 HD2 PHE 0 -5.678 9.694 -13.923 7 HE1 PHE 0 HE1 PHE 0 -5.305 11.732 -9.462 8 HE2 PHE 0 HE2 PHE 0 -6.604 8.533 -11.960 9 HZ PHE 0 HZ PHE 0 -6.437 9.554 -9.735 No H/Q in entry = 9 In of MODEL 8 1 H HIS 1 H HIS 1 -1.245 10.933 -12.491 2 HA HIS 1 HA HIS 1 -0.879 8.483 -13.960 3 HB2 HIS 1 HB2 HIS 1 0.186 9.518 -11.343 4 HB3 HIS 1 HB3 HIS 1 0.431 7.843 -11.824 5 HD1 HIS 1 HD1 HIS 1 2.380 7.384 -13.311 6 HD2 HIS 1 HD2 HIS 1 1.382 11.418 -13.215 7 HE1 HIS 1 HE1 HIS 1 4.208 8.563 -14.569 8 HE2 HIS 1 HE2 HIS 1 3.660 11.012 -14.367 No H/Q in entry = 8 In of MODEL 8 1 H HIS 2 H HIS 2 -1.634 6.487 -13.454 2 HA HIS 2 HA HIS 2 -4.072 6.466 -11.901 3 HB2 HIS 2 HB2 HIS 2 -2.751 4.286 -13.529 4 HB3 HIS 2 HB3 HIS 2 -4.347 4.178 -12.792 5 HD1 HIS 2 HD1 HIS 2 -2.840 4.859 -15.929 6 HD2 HIS 2 HD2 HIS 2 -6.032 6.496 -13.827 7 HE1 HIS 2 HE1 HIS 2 -4.230 6.065 -17.639 8 HE2 HIS 2 HE2 HIS 2 -6.228 6.921 -16.369 No H/Q in entry = 8 In of MODEL 8 1 H PHE 3 H PHE 3 -4.515 4.825 -10.314 2 HA PHE 3 HA PHE 3 -4.124 3.780 -8.346 3 HB2 PHE 3 HB2 PHE 3 -1.446 3.063 -9.570 4 HB3 PHE 3 HB3 PHE 3 -2.182 2.295 -8.166 5 HD1 PHE 3 HD1 PHE 3 -4.444 1.139 -8.517 6 HD2 PHE 3 HD2 PHE 3 -1.855 2.255 -11.704 7 HE1 PHE 3 HE1 PHE 3 -5.579 -0.463 -9.998 8 HE2 PHE 3 HE2 PHE 3 -2.985 0.655 -13.190 9 HZ PHE 3 HZ PHE 3 -4.851 -0.708 -12.337 No H/Q in entry = 9 In of MODEL 8 1 H THR 4 H THR 4 -3.737 6.473 -8.346 2 HA THR 4 HA THR 4 -1.261 6.994 -6.912 3 HB THR 4 HB THR 4 -2.354 9.378 -6.842 4 HG1 THR 4 HG1 THR 4 -3.533 8.859 -9.247 5 HG21 THR 4 HG21 THR 4 -0.337 8.799 -8.099 6 HG22 THR 4 HG22 THR 4 -1.330 8.155 -9.406 7 HG23 THR 4 HG23 THR 4 -1.375 9.879 -9.028 No H/Q in entry = 7 In of MODEL 8 1 H LEU 5 H LEU 5 -1.594 8.616 -4.989 2 HA LEU 5 HA LEU 5 -2.953 7.053 -3.022 3 HB2 LEU 5 HB2 LEU 5 -1.560 9.709 -2.737 4 HB3 LEU 5 HB3 LEU 5 -2.063 8.668 -1.420 5 HG LEU 5 HG LEU 5 0.064 8.058 -3.470 6 HD11 LEU 5 HD11 LEU 5 0.188 8.600 -0.509 7 HD12 LEU 5 HD12 LEU 5 1.546 8.110 -1.519 8 HD13 LEU 5 HD13 LEU 5 0.759 9.662 -1.796 9 HD21 LEU 5 HD21 LEU 5 -0.972 6.386 -1.180 10 HD22 LEU 5 HD22 LEU 5 -1.136 6.027 -2.899 11 HD23 LEU 5 HD23 LEU 5 0.458 6.021 -2.148 No H/Q in entry = 11 In of MODEL 8 1 H GLU 6 H GLU 6 -3.585 10.171 -4.591 2 HA GLU 6 HA GLU 6 -5.897 10.794 -3.064 3 HB2 GLU 6 HB2 GLU 6 -5.246 11.431 -5.953 4 HB3 GLU 6 HB3 GLU 6 -6.572 12.144 -5.042 5 HG2 GLU 6 HG2 GLU 6 -4.915 13.064 -3.446 6 HG3 GLU 6 HG3 GLU 6 -3.631 12.440 -4.481 No H/Q in entry = 6 In of MODEL 8 1 H SER 7 H SER 7 -5.484 8.863 -6.127 2 HA SER 7 HA SER 7 -8.123 8.110 -6.366 3 HB2 SER 7 HB2 SER 7 -5.642 6.488 -6.940 4 HB3 SER 7 HB3 SER 7 -7.261 6.072 -7.501 5 HG SER 7 HG SER 7 -6.954 8.546 -8.202 No H/Q in entry = 5 In of MODEL 8 1 H SER 8 H SER 8 -5.964 7.250 -3.829 2 HA SER 8 HA SER 8 -7.544 4.898 -3.163 3 HB2 SER 8 HB2 SER 8 -4.959 5.806 -1.917 4 HB3 SER 8 HB3 SER 8 -5.780 4.254 -1.663 5 HG SER 8 HG SER 8 -4.737 5.233 -4.133 No H/Q in entry = 5 In of MODEL 8 1 H LEU 9 H LEU 9 -7.353 8.187 -2.132 2 HA LEU 9 HA LEU 9 -7.174 7.952 0.588 3 HB2 LEU 9 HB2 LEU 9 -8.547 10.052 -1.034 4 HB3 LEU 9 HB3 LEU 9 -8.151 10.208 0.670 5 HG LEU 9 HG LEU 9 -6.113 9.668 -1.473 6 HD11 LEU 9 HD11 LEU 9 -7.228 11.775 -1.843 7 HD12 LEU 9 HD12 LEU 9 -6.872 12.270 -0.186 8 HD13 LEU 9 HD13 LEU 9 -5.558 12.010 -1.334 9 HD21 LEU 9 HD21 LEU 9 -5.874 10.488 1.418 10 HD22 LEU 9 HD22 LEU 9 -5.396 8.940 0.708 11 HD23 LEU 9 HD23 LEU 9 -4.529 10.423 0.276 No H/Q in entry = 11 In of MODEL 8 1 H ASP 10 H ASP 10 -10.125 7.757 -1.240 2 HA ASP 10 HA ASP 10 -11.625 7.380 1.240 3 HB2 ASP 10 HB2 ASP 10 -12.498 7.742 -1.627 4 HB3 ASP 10 HB3 ASP 10 -13.618 7.305 -0.341 No H/Q in entry = 4 In of MODEL 8 1 H THR 11 H THR 11 -9.844 5.476 -0.700 2 HA THR 11 HA THR 11 -11.626 3.190 -0.280 3 HB THR 11 HB THR 11 -10.445 2.153 -2.292 4 HG1 THR 11 HG1 THR 11 -9.997 4.841 -3.068 5 HG21 THR 11 HG21 THR 11 -12.266 4.524 -2.709 6 HG22 THR 11 HG22 THR 11 -11.966 3.247 -3.888 7 HG23 THR 11 HG23 THR 11 -12.773 2.872 -2.365 No H/Q in entry = 7 In of MODEL 8 1 H HIS 12 H HIS 12 -8.499 2.791 -1.660 2 HA HIS 12 HA HIS 12 -7.789 0.849 0.209 3 HB2 HIS 12 HB2 HIS 12 -5.951 2.313 -1.674 4 HB3 HIS 12 HB3 HIS 12 -5.597 0.790 -0.867 5 HD1 HIS 12 HD1 HIS 12 -7.915 -0.946 -1.392 6 HD2 HIS 12 HD2 HIS 12 -6.560 1.769 -4.237 7 HE1 HIS 12 HE1 HIS 12 -8.797 -1.775 -3.595 8 HE2 HIS 12 HE2 HIS 12 -7.908 -0.163 -5.319 No H/Q in entry = 8 In of MODEL 8 1 H LEU 13 H LEU 13 -6.961 4.295 0.149 2 HA LEU 13 HA LEU 13 -5.127 3.794 2.403 3 HB2 LEU 13 HB2 LEU 13 -5.087 5.756 0.175 4 HB3 LEU 13 HB3 LEU 13 -4.430 6.251 1.719 5 HG LEU 13 HG LEU 13 -2.627 5.459 0.348 6 HD11 LEU 13 HD11 LEU 13 -2.634 4.870 2.776 7 HD12 LEU 13 HD12 LEU 13 -3.231 3.275 2.324 8 HD13 LEU 13 HD13 LEU 13 -1.653 3.814 1.764 9 HD21 LEU 13 HD21 LEU 13 -4.217 2.920 0.037 10 HD22 LEU 13 HD22 LEU 13 -3.805 4.078 -1.227 11 HD23 LEU 13 HD23 LEU 13 -2.538 3.127 -0.457 No H/Q in entry = 11 In of MODEL 8 1 H LYS 14 H LYS 14 -8.035 4.150 2.466 2 HA LYS 14 HA LYS 14 -8.591 6.758 3.487 3 HB2 LYS 14 HB2 LYS 14 -10.820 5.989 3.860 4 HB3 LYS 14 HB3 LYS 14 -10.270 5.357 2.323 5 HG2 LYS 14 HG2 LYS 14 -9.793 3.198 3.451 6 HG3 LYS 14 HG3 LYS 14 -10.524 3.858 4.917 7 HD2 LYS 14 HD2 LYS 14 -12.607 4.266 3.645 8 HD3 LYS 14 HD3 LYS 14 -11.867 3.498 2.241 9 HE2 LYS 14 HE2 LYS 14 -13.254 1.889 3.331 10 HE3 LYS 14 HE3 LYS 14 -11.571 1.441 3.600 11 HZ1 LYS 14 HZ1 LYS 14 -13.283 2.891 5.546 12 HZ2 LYS 14 HZ2 LYS 14 -12.914 1.245 5.613 13 HZ3 LYS 14 HZ3 LYS 14 -11.688 2.395 5.805 No H/Q in entry = 13 In of MODEL 8 1 H TRP 15 H TRP 15 -7.205 4.029 4.861 2 HA TRP 15 HA TRP 15 -8.124 4.407 7.548 3 HB2 TRP 15 HB2 TRP 15 -6.329 2.784 8.131 4 HB3 TRP 15 HB3 TRP 15 -7.409 2.198 6.869 5 HD1 TRP 15 HD1 TRP 15 -6.422 1.982 4.409 6 HE1 TRP 15 HE1 TRP 15 -4.008 1.836 3.525 7 HE3 TRP 15 HE3 TRP 15 -3.934 3.595 8.575 8 HZ2 TRP 15 HZ2 TRP 15 -1.393 2.325 4.477 9 HZ3 TRP 15 HZ3 TRP 15 -1.477 3.723 8.506 10 HH2 TRP 15 HH2 TRP 15 -0.235 3.101 6.499 No H/Q in entry = 10 In of MODEL 8 1 H LEU 16 H LEU 16 -5.972 6.055 5.565 2 HA LEU 16 HA LEU 16 -4.128 6.948 7.584 3 HB2 LEU 16 HB2 LEU 16 -4.875 8.201 4.932 4 HB3 LEU 16 HB3 LEU 16 -3.528 8.686 5.938 5 HG LEU 16 HG LEU 16 -3.723 5.925 4.745 6 HD11 LEU 16 HD11 LEU 16 -3.824 7.581 2.954 7 HD12 LEU 16 HD12 LEU 16 -2.385 8.367 3.600 8 HD13 LEU 16 HD13 LEU 16 -2.281 6.731 2.956 9 HD21 LEU 16 HD21 LEU 16 -2.130 6.199 6.593 10 HD22 LEU 16 HD22 LEU 16 -1.296 5.929 5.060 11 HD23 LEU 16 HD23 LEU 16 -1.379 7.552 5.743 No H/Q in entry = 11 In of MODEL 8 1 H SER 17 H SER 17 -4.160 8.905 8.633 2 HA SER 17 HA SER 17 -6.738 10.033 9.186 3 HB2 SER 17 HB2 SER 17 -4.046 11.099 10.038 4 HB3 SER 17 HB3 SER 17 -5.601 11.377 10.815 5 HG SER 17 HG SER 17 -4.179 9.733 11.785 No H/Q in entry = 5 In of MODEL 8 1 H GLN 18 H GLN 18 -7.193 12.414 8.941 2 HA GLN 18 HA GLN 18 -6.845 13.227 6.295 3 HB2 GLN 18 HB2 GLN 18 -8.640 14.106 7.730 4 HB3 GLN 18 HB3 GLN 18 -7.454 14.961 8.704 5 HG2 GLN 18 HG2 GLN 18 -8.636 16.420 7.116 6 HG3 GLN 18 HG3 GLN 18 -6.892 16.396 6.864 7 HE21 GLN 18 HE21 GLN 18 -7.102 17.099 4.748 8 HE22 GLN 18 HE22 GLN 18 -7.675 16.068 3.485 No H/Q in entry = 8 In of MODEL 8 1 H GLU 19 H GLU 19 -5.087 14.221 9.209 2 HA GLU 19 HA GLU 19 -3.390 16.068 7.998 3 HB2 GLU 19 HB2 GLU 19 -3.044 14.282 10.406 4 HB3 GLU 19 HB3 GLU 19 -1.897 15.513 9.951 5 HG2 GLU 19 HG2 GLU 19 -3.689 17.203 10.135 6 HG3 GLU 19 HG3 GLU 19 -4.755 15.932 10.732 No H/Q in entry = 6 In of MODEL 8 1 H GLN 20 H GLN 20 -3.247 12.550 8.155 2 HA GLN 20 HA GLN 20 -0.575 12.403 7.124 3 HB2 GLN 20 HB2 GLN 20 -2.747 10.301 7.274 4 HB3 GLN 20 HB3 GLN 20 -1.086 9.994 6.782 5 HG2 GLN 20 HG2 GLN 20 -0.286 10.667 8.968 6 HG3 GLN 20 HG3 GLN 20 -1.928 11.064 9.466 7 HE21 GLN 20 HE21 GLN 20 -1.118 8.258 7.535 8 HE22 GLN 20 HE22 GLN 20 -1.474 7.089 8.754 No H/Q in entry = 8 In of MODEL 8 1 H LYS 21 H LYS 21 -3.844 12.128 5.755 2 HA LYS 21 HA LYS 21 -3.117 11.595 3.107 3 HB2 LYS 21 HB2 LYS 21 -5.457 13.210 4.143 4 HB3 LYS 21 HB3 LYS 21 -5.306 12.592 2.504 5 HG2 LYS 21 HG2 LYS 21 -5.315 10.304 3.368 6 HG3 LYS 21 HG3 LYS 21 -5.473 10.930 5.010 7 HD2 LYS 21 HD2 LYS 21 -7.609 11.936 4.447 8 HD3 LYS 21 HD3 LYS 21 -7.444 11.402 2.774 9 HE2 LYS 21 HE2 LYS 21 -7.517 9.087 3.472 10 HE3 LYS 21 HE3 LYS 21 -7.574 9.571 5.165 11 HZ1 LYS 21 HZ1 LYS 21 -9.703 10.641 4.743 12 HZ2 LYS 21 HZ2 LYS 21 -9.648 10.159 3.123 13 HZ3 LYS 21 HZ3 LYS 21 -9.766 9.000 4.346 No H/Q in entry = 13 In of MODEL 8 1 H ASP 22 H ASP 22 -3.822 14.724 4.639 2 HA ASP 22 HA ASP 22 -3.145 16.352 2.438 3 HB2 ASP 22 HB2 ASP 22 -4.421 17.080 4.475 4 HB3 ASP 22 HB3 ASP 22 -2.915 17.033 5.379 No H/Q in entry = 4 In of MODEL 8 1 H GLU 23 H GLU 23 -1.158 14.859 4.961 2 HA GLU 23 HA GLU 23 1.185 16.327 4.304 3 HB2 GLU 23 HB2 GLU 23 1.490 15.451 6.355 4 HB3 GLU 23 HB3 GLU 23 0.426 14.088 6.047 5 HG2 GLU 23 HG2 GLU 23 2.117 12.873 5.004 6 HG3 GLU 23 HG3 GLU 23 3.177 14.277 4.899 No H/Q in entry = 6 In of MODEL 8 1 H LEU 24 H LEU 24 -0.101 13.151 3.248 2 HA LEU 24 HA LEU 24 2.151 12.563 1.623 3 HB2 LEU 24 HB2 LEU 24 -0.697 11.591 1.344 4 HB3 LEU 24 HB3 LEU 24 0.707 10.884 0.568 5 HG LEU 24 HG LEU 24 0.160 10.943 3.539 6 HD11 LEU 24 HD11 LEU 24 -1.214 9.359 2.277 7 HD12 LEU 24 HD12 LEU 24 0.248 8.643 1.603 8 HD13 LEU 24 HD13 LEU 24 -0.057 8.550 3.337 9 HD21 LEU 24 HD21 LEU 24 2.482 9.787 2.008 10 HD22 LEU 24 HD22 LEU 24 2.534 11.133 3.149 11 HD23 LEU 24 HD23 LEU 24 2.142 9.508 3.719 No H/Q in entry = 11 In of MODEL 8 1 H LEU 25 H LEU 25 -1.072 13.912 0.800 2 HA LEU 25 HA LEU 25 -0.655 14.680 -1.774 3 HB2 LEU 25 HB2 LEU 25 -2.164 15.857 0.514 4 HB3 LEU 25 HB3 LEU 25 -2.094 16.727 -1.007 5 HG LEU 25 HG LEU 25 -3.054 14.809 -2.140 6 HD11 LEU 25 HD11 LEU 25 -2.240 13.021 -0.748 7 HD12 LEU 25 HD12 LEU 25 -3.321 13.538 0.546 8 HD13 LEU 25 HD13 LEU 25 -3.983 12.926 -0.968 9 HD21 LEU 25 HD21 LEU 25 -4.533 16.547 -1.324 10 HD22 LEU 25 HD22 LEU 25 -5.320 14.972 -1.242 11 HD23 LEU 25 HD23 LEU 25 -4.668 15.708 0.223 No H/Q in entry = 11 In of MODEL 8 1 H LYS 26 H LYS 26 0.440 16.364 1.156 2 HA LYS 26 HA LYS 26 1.525 18.624 -0.141 3 HB2 LYS 26 HB2 LYS 26 1.052 18.455 2.298 4 HB3 LYS 26 HB3 LYS 26 2.416 17.357 2.448 5 HG2 LYS 26 HG2 LYS 26 3.926 19.119 1.702 6 HG3 LYS 26 HG3 LYS 26 2.558 20.222 1.532 7 HD2 LYS 26 HD2 LYS 26 3.741 20.601 3.636 8 HD3 LYS 26 HD3 LYS 26 2.098 20.024 3.925 9 HE2 LYS 26 HE2 LYS 26 2.898 17.805 4.376 10 HE3 LYS 26 HE3 LYS 26 4.538 18.257 3.920 11 HZ1 LYS 26 HZ1 LYS 26 3.044 19.409 6.214 12 HZ2 LYS 26 HZ2 LYS 26 4.204 18.189 6.335 13 HZ3 LYS 26 HZ3 LYS 26 4.654 19.725 5.805 No H/Q in entry = 13 In of MODEL 8 1 H MET 27 H MET 27 2.994 15.609 0.979 2 HA MET 27 HA MET 27 5.531 15.939 0.061 3 HB2 MET 27 HB2 MET 27 3.846 13.437 0.091 4 HB3 MET 27 HB3 MET 27 5.583 13.439 -0.175 5 HG2 MET 27 HG2 MET 27 4.515 14.774 2.253 6 HG3 MET 27 HG3 MET 27 4.546 13.018 2.196 7 HE1 MET 27 HE1 MET 27 6.638 11.568 2.010 8 HE2 MET 27 HE2 MET 27 7.145 12.362 0.519 9 HE3 MET 27 HE3 MET 27 8.289 12.176 1.850 No H/Q in entry = 9 In of MODEL 8 1 H LYS 28 H LYS 28 2.844 14.453 -1.753 2 HA LYS 28 HA LYS 28 4.195 13.996 -4.141 3 HB2 LYS 28 HB2 LYS 28 1.405 14.112 -3.207 4 HB3 LYS 28 HB3 LYS 28 1.609 14.425 -4.918 5 HG2 LYS 28 HG2 LYS 28 2.835 12.024 -3.613 6 HG3 LYS 28 HG3 LYS 28 1.162 12.021 -4.174 7 HD2 LYS 28 HD2 LYS 28 3.543 12.685 -5.905 8 HD3 LYS 28 HD3 LYS 28 2.776 11.097 -5.828 9 HE2 LYS 28 HE2 LYS 28 0.682 12.041 -6.619 10 HE3 LYS 28 HE3 LYS 28 1.384 13.656 -6.620 11 HZ1 LYS 28 HZ1 LYS 28 2.963 12.910 -8.309 12 HZ2 LYS 28 HZ2 LYS 28 2.232 11.386 -8.334 13 HZ3 LYS 28 HZ3 LYS 28 1.365 12.749 -8.835 No H/Q in entry = 13 In of MODEL 8 1 H LYS 29 H LYS 29 2.329 16.826 -3.087 2 HA LYS 29 HA LYS 29 2.621 18.196 -5.559 3 HB2 LYS 29 HB2 LYS 29 1.868 19.213 -2.821 4 HB3 LYS 29 HB3 LYS 29 1.823 20.193 -4.278 5 HG2 LYS 29 HG2 LYS 29 0.194 17.718 -3.736 6 HG3 LYS 29 HG3 LYS 29 -0.389 19.382 -3.738 7 HD2 LYS 29 HD2 LYS 29 0.710 17.867 -6.109 8 HD3 LYS 29 HD3 LYS 29 -0.984 18.255 -5.813 9 HE2 LYS 29 HE2 LYS 29 -0.445 20.647 -5.933 10 HE3 LYS 29 HE3 LYS 29 1.239 20.244 -6.256 11 HZ1 LYS 29 HZ1 LYS 29 0.505 19.094 -8.278 12 HZ2 LYS 29 HZ2 LYS 29 -1.083 19.589 -7.981 13 HZ3 LYS 29 HZ3 LYS 29 0.115 20.738 -8.300 No H/Q in entry = 13 In of MODEL 8 1 H ASP 30 H ASP 30 4.618 18.045 -2.691 2 HA ASP 30 HA ASP 30 6.114 20.379 -3.510 3 HB2 ASP 30 HB2 ASP 30 5.739 19.888 -1.099 4 HB3 ASP 30 HB3 ASP 30 6.702 18.424 -1.267 No H/Q in entry = 4 In of MODEL 8 1 H GLY 31 H GLY 31 6.021 17.281 -4.489 2 HA2 GLY 31 HA2 GLY 31 8.532 17.688 -5.901 3 HA3 GLY 31 HA3 GLY 31 7.278 16.531 -6.318 No H/Q in entry = 3 In of MODEL 8 1 H LYS 32 H LYS 32 7.301 15.764 -3.354 2 HA LYS 32 HA LYS 32 9.740 14.370 -2.975 3 HB2 LYS 32 HB2 LYS 32 6.988 13.762 -1.873 4 HB3 LYS 32 HB3 LYS 32 8.492 13.059 -1.302 5 HG2 LYS 32 HG2 LYS 32 7.709 15.961 -1.137 6 HG3 LYS 32 HG3 LYS 32 7.730 14.803 0.193 7 HD2 LYS 32 HD2 LYS 32 10.206 14.504 -0.318 8 HD3 LYS 32 HD3 LYS 32 10.058 15.942 -1.332 9 HE2 LYS 32 HE2 LYS 32 9.499 15.741 1.624 10 HE3 LYS 32 HE3 LYS 32 10.849 16.575 0.858 11 HZ1 LYS 32 HZ1 LYS 32 7.986 17.303 0.582 12 HZ2 LYS 32 HZ2 LYS 32 9.123 18.113 1.532 13 HZ3 LYS 32 HZ3 LYS 32 9.278 18.115 -0.153 No H/Q in entry = 13 In of MODEL 8 1 H ALA 33 H ALA 33 10.210 12.270 -3.462 2 HA ALA 33 HA ALA 33 9.092 11.289 -5.910 3 HB1 ALA 33 HB1 ALA 33 11.481 11.027 -5.332 4 HB2 ALA 33 HB2 ALA 33 10.708 9.491 -5.719 5 HB3 ALA 33 HB3 ALA 33 11.023 9.918 -4.037 No H/Q in entry = 5 In of MODEL 8 1 H LYS 34 H LYS 34 7.895 9.340 -6.229 2 HA LYS 34 HA LYS 34 5.846 8.782 -4.458 3 HB2 LYS 34 HB2 LYS 34 5.825 8.076 -6.796 4 HB3 LYS 34 HB3 LYS 34 7.093 6.904 -6.465 5 HG2 LYS 34 HG2 LYS 34 5.620 5.662 -5.012 6 HG3 LYS 34 HG3 LYS 34 4.356 6.876 -5.208 7 HD2 LYS 34 HD2 LYS 34 4.035 4.833 -6.603 8 HD3 LYS 34 HD3 LYS 34 4.103 6.334 -7.527 9 HE2 LYS 34 HE2 LYS 34 6.246 5.876 -8.335 10 HE3 LYS 34 HE3 LYS 34 6.557 4.669 -7.088 11 HZ1 LYS 34 HZ1 LYS 34 4.517 4.332 -9.210 12 HZ2 LYS 34 HZ2 LYS 34 6.101 3.747 -9.335 13 HZ3 LYS 34 HZ3 LYS 34 5.076 3.162 -8.115 No H/Q in entry = 13 In of MODEL 8 1 H LYS 35 H LYS 35 9.057 7.367 -4.642 2 HA LYS 35 HA LYS 35 8.748 5.232 -2.867 3 HB2 LYS 35 HB2 LYS 35 10.709 5.780 -4.388 4 HB3 LYS 35 HB3 LYS 35 11.234 6.918 -3.160 5 HG2 LYS 35 HG2 LYS 35 10.758 4.051 -2.461 6 HG3 LYS 35 HG3 LYS 35 12.258 4.544 -3.240 7 HD2 LYS 35 HD2 LYS 35 11.183 5.656 -0.648 8 HD3 LYS 35 HD3 LYS 35 12.457 4.444 -0.786 9 HE2 LYS 35 HE2 LYS 35 13.763 6.109 -2.130 10 HE3 LYS 35 HE3 LYS 35 12.533 7.306 -1.733 11 HZ1 LYS 35 HZ1 LYS 35 13.023 6.946 0.620 12 HZ2 LYS 35 HZ2 LYS 35 14.240 5.848 0.208 13 HZ3 LYS 35 HZ3 LYS 35 14.387 7.475 -0.227 No H/Q in entry = 13 In of MODEL 8 1 H GLU 36 H GLU 36 8.871 8.651 -2.247 2 HA GLU 36 HA GLU 36 9.651 8.332 0.529 3 HB2 GLU 36 HB2 GLU 36 8.761 10.828 -0.921 4 HB3 GLU 36 HB3 GLU 36 9.591 10.746 0.626 5 HG2 GLU 36 HG2 GLU 36 11.527 9.722 -0.528 6 HG3 GLU 36 HG3 GLU 36 10.694 9.964 -2.053 No H/Q in entry = 6 In of MODEL 8 1 H LEU 37 H LEU 37 6.856 8.862 -1.443 2 HA LEU 37 HA LEU 37 4.961 9.185 0.608 3 HB2 LEU 37 HB2 LEU 37 4.847 8.150 -2.216 4 HB3 LEU 37 HB3 LEU 37 3.421 8.335 -1.220 5 HG LEU 37 HG LEU 37 3.835 10.162 -2.841 6 HD11 LEU 37 HD11 LEU 37 2.415 10.444 -0.873 7 HD12 LEU 37 HD12 LEU 37 3.828 10.962 0.046 8 HD13 LEU 37 HD13 LEU 37 3.244 11.941 -1.298 9 HD21 LEU 37 HD21 LEU 37 6.235 10.377 -2.704 10 HD22 LEU 37 HD22 LEU 37 5.440 11.906 -2.329 11 HD23 LEU 37 HD23 LEU 37 6.095 10.910 -1.028 No H/Q in entry = 11 In of MODEL 8 1 H GLU 38 H GLU 38 6.159 6.398 -1.180 2 HA GLU 38 HA GLU 38 4.621 4.413 0.113 3 HB2 GLU 38 HB2 GLU 38 5.572 3.878 -1.971 4 HB3 GLU 38 HB3 GLU 38 7.178 4.393 -1.473 5 HG2 GLU 38 HG2 GLU 38 7.291 2.076 -1.528 6 HG3 GLU 38 HG3 GLU 38 7.104 2.463 0.177 No H/Q in entry = 6 In of MODEL 8 1 H ALA 39 H ALA 39 7.221 6.288 1.113 2 HA ALA 39 HA ALA 39 8.185 4.367 3.067 3 HB1 ALA 39 HB1 ALA 39 9.062 7.217 2.595 4 HB2 ALA 39 HB2 ALA 39 9.876 6.012 3.594 5 HB3 ALA 39 HB3 ALA 39 9.781 5.790 1.847 No H/Q in entry = 5 In of MODEL 8 1 H LYS 40 H LYS 40 6.558 7.511 3.036 2 HA LYS 40 HA LYS 40 6.075 7.777 5.758 3 HB2 LYS 40 HB2 LYS 40 4.468 8.544 3.323 4 HB3 LYS 40 HB3 LYS 40 3.968 8.963 4.948 5 HG2 LYS 40 HG2 LYS 40 6.648 9.738 3.885 6 HG3 LYS 40 HG3 LYS 40 5.214 10.720 3.599 7 HD2 LYS 40 HD2 LYS 40 4.867 10.859 6.040 8 HD3 LYS 40 HD3 LYS 40 6.359 9.948 6.281 9 HE2 LYS 40 HE2 LYS 40 7.655 11.694 5.272 10 HE3 LYS 40 HE3 LYS 40 6.200 12.567 4.798 11 HZ1 LYS 40 HZ1 LYS 40 6.994 12.036 7.609 12 HZ2 LYS 40 HZ2 LYS 40 7.290 13.484 6.790 13 HZ3 LYS 40 HZ3 LYS 40 5.696 12.990 7.087 No H/Q in entry = 13 In of MODEL 8 1 H ILE 41 H ILE 41 4.068 6.256 3.242 2 HA ILE 41 HA ILE 41 1.989 5.412 4.886 3 HB ILE 41 HB ILE 41 2.992 4.177 2.320 4 HG12 ILE 41 HG12 ILE 41 0.756 6.161 2.761 5 HG13 ILE 41 HG13 ILE 41 2.381 6.616 2.263 6 HG21 ILE 41 HG21 ILE 41 1.534 2.654 3.543 7 HG22 ILE 41 HG22 ILE 41 0.318 3.922 3.689 8 HG23 ILE 41 HG23 ILE 41 0.727 3.272 2.102 9 HD11 ILE 41 HD11 ILE 41 2.130 5.274 0.241 10 HD12 ILE 41 HD12 ILE 41 0.494 4.841 0.746 11 HD13 ILE 41 HD13 ILE 41 0.883 6.518 0.372 No H/Q in entry = 11 In of MODEL 8 1 H LEU 42 H LEU 42 4.828 3.553 3.747 2 HA LEU 42 HA LEU 42 4.198 1.191 5.107 3 HB2 LEU 42 HB2 LEU 42 6.825 2.334 4.208 4 HB3 LEU 42 HB3 LEU 42 6.718 0.783 5.008 5 HG LEU 42 HG LEU 42 5.598 1.562 2.330 6 HD11 LEU 42 HD11 LEU 42 7.586 -0.513 3.223 7 HD12 LEU 42 HD12 LEU 42 6.982 -0.338 1.576 8 HD13 LEU 42 HD13 LEU 42 7.924 0.962 2.313 9 HD21 LEU 42 HD21 LEU 42 5.074 -0.944 3.931 10 HD22 LEU 42 HD22 LEU 42 3.881 0.241 3.393 11 HD23 LEU 42 HD23 LEU 42 4.725 -0.767 2.213 No H/Q in entry = 11 In of MODEL 8 1 H HIS 43 H HIS 43 5.938 4.053 6.155 2 HA HIS 43 HA HIS 43 6.775 3.087 8.672 3 HB2 HIS 43 HB2 HIS 43 7.555 5.201 7.530 4 HB3 HIS 43 HB3 HIS 43 6.022 5.936 7.977 5 HD1 HIS 43 HD1 HIS 43 9.360 5.055 9.294 6 HD2 HIS 43 HD2 HIS 43 5.728 6.435 10.774 7 HE1 HIS 43 HE1 HIS 43 9.855 5.921 11.598 8 HE2 HIS 43 HE2 HIS 43 7.622 6.614 12.527 No H/Q in entry = 8 In of MODEL 8 1 H TYR 44 H TYR 44 3.810 4.788 7.636 2 HA TYR 44 HA TYR 44 2.623 4.884 10.211 3 HB2 TYR 44 HB2 TYR 44 1.321 4.946 7.474 4 HB3 TYR 44 HB3 TYR 44 0.542 5.414 8.982 5 HD1 TYR 44 HD1 TYR 44 2.890 6.879 10.235 6 HD2 TYR 44 HD2 TYR 44 1.242 6.963 6.315 7 HE1 TYR 44 HE1 TYR 44 3.688 9.196 9.961 8 HE2 TYR 44 HE2 TYR 44 2.023 9.252 6.021 9 HH TYR 44 HH TYR 44 4.278 10.722 7.952 No H/Q in entry = 9 In of MODEL 8 1 H TYR 45 H TYR 45 2.430 2.667 7.517 2 HA TYR 45 HA TYR 45 0.442 0.933 8.398 3 HB2 TYR 45 HB2 TYR 45 1.261 0.933 6.113 4 HB3 TYR 45 HB3 TYR 45 2.873 0.497 6.658 5 HD1 TYR 45 HD1 TYR 45 -0.597 -0.771 6.415 6 HD2 TYR 45 HD2 TYR 45 3.520 -1.692 6.885 7 HE1 TYR 45 HE1 TYR 45 -1.100 -3.157 6.094 8 HE2 TYR 45 HE2 TYR 45 3.035 -4.071 6.572 9 HH TYR 45 HH TYR 45 0.073 -5.205 5.386 No H/Q in entry = 9 In of MODEL 8 1 H ASP 46 H ASP 46 3.933 0.922 8.970 2 HA ASP 46 HA ASP 46 3.797 -1.665 10.225 3 HB2 ASP 46 HB2 ASP 46 5.731 -0.546 8.808 4 HB3 ASP 46 HB3 ASP 46 6.229 0.080 10.374 No H/Q in entry = 4 In of MODEL 8 1 H GLU 47 H GLU 47 3.358 1.529 11.270 2 HA GLU 47 HA GLU 47 3.951 0.853 14.048 3 HB2 GLU 47 HB2 GLU 47 3.107 3.429 12.733 4 HB3 GLU 47 HB3 GLU 47 3.263 3.234 14.468 5 HG2 GLU 47 HG2 GLU 47 5.659 2.562 14.047 6 HG3 GLU 47 HG3 GLU 47 5.422 3.126 12.393 No H/Q in entry = 6 In of MODEL 8 1 H LEU 48 H LEU 48 1.559 0.032 12.136 2 HA LEU 48 HA LEU 48 -0.755 1.074 13.388 3 HB2 LEU 48 HB2 LEU 48 -0.211 -1.152 11.470 4 HB3 LEU 48 HB3 LEU 48 -1.820 -0.890 12.101 5 HG LEU 48 HG LEU 48 -0.216 1.130 10.549 6 HD11 LEU 48 HD11 LEU 48 -1.006 -0.781 9.212 7 HD12 LEU 48 HD12 LEU 48 -2.651 -0.453 9.760 8 HD13 LEU 48 HD13 LEU 48 -1.798 0.734 8.774 9 HD21 LEU 48 HD21 LEU 48 -2.966 1.188 11.762 10 HD22 LEU 48 HD22 LEU 48 -1.621 2.286 12.065 11 HD23 LEU 48 HD23 LEU 48 -2.442 2.310 10.503 No H/Q in entry = 11 In of MODEL 8 1 H GLU 49 H GLU 49 -2.194 -1.407 13.624 2 HA GLU 49 HA GLU 49 -1.330 -2.676 15.969 3 HB2 GLU 49 HB2 GLU 49 -2.932 -1.415 17.529 4 HB3 GLU 49 HB3 GLU 49 -1.391 -0.663 17.141 5 HG2 GLU 49 HG2 GLU 49 -2.528 0.694 15.426 6 HG3 GLU 49 HG3 GLU 49 -4.064 -0.017 15.920 No H/Q in entry = 6 In of MODEL 8 1 H GLY 50 H GLY 50 -2.362 -4.515 15.752 2 HA2 GLY 50 HA2 GLY 50 -4.980 -4.849 16.531 3 HA3 GLY 50 HA3 GLY 50 -4.051 -6.056 15.663 No H/Q in entry = 3 In of MODEL 8 1 H ASP 51 H ASP 51 -6.775 -4.184 15.615 2 HA ASP 51 HA ASP 51 -7.636 -5.228 13.115 3 HB2 ASP 51 HB2 ASP 51 -9.182 -4.787 14.978 4 HB3 ASP 51 HB3 ASP 51 -8.869 -3.060 14.834 No H/Q in entry = 4 In of MODEL 8 1 H ALA 52 H ALA 52 -6.362 -2.093 14.139 2 HA ALA 52 HA ALA 52 -6.934 -0.658 11.776 3 HB1 ALA 52 HB1 ALA 52 -4.590 -0.361 13.667 4 HB2 ALA 52 HB2 ALA 52 -5.062 0.809 12.431 5 HB3 ALA 52 HB3 ALA 52 -6.142 0.471 13.783 No H/Q in entry = 5 In of MODEL 8 1 H LYS 53 H LYS 53 -4.269 -2.693 12.757 2 HA LYS 53 HA LYS 53 -2.659 -2.347 10.453 3 HB2 LYS 53 HB2 LYS 53 -2.176 -3.362 12.866 4 HB3 LYS 53 HB3 LYS 53 -2.578 -4.869 12.059 5 HG2 LYS 53 HG2 LYS 53 -0.481 -2.988 11.021 6 HG3 LYS 53 HG3 LYS 53 -0.130 -4.259 12.186 7 HD2 LYS 53 HD2 LYS 53 -0.938 -5.933 10.596 8 HD3 LYS 53 HD3 LYS 53 -1.301 -4.654 9.436 9 HE2 LYS 53 HE2 LYS 53 1.051 -4.049 9.331 10 HE3 LYS 53 HE3 LYS 53 1.437 -5.259 10.547 11 HZ1 LYS 53 HZ1 LYS 53 0.614 -6.963 9.000 12 HZ2 LYS 53 HZ2 LYS 53 0.387 -5.772 7.820 13 HZ3 LYS 53 HZ3 LYS 53 1.944 -6.119 8.392 No H/Q in entry = 13 In of MODEL 8 1 H LYS 54 H LYS 54 -4.777 -4.981 11.523 2 HA LYS 54 HA LYS 54 -4.722 -6.586 9.287 3 HB2 LYS 54 HB2 LYS 54 -6.052 -7.752 10.605 4 HB3 LYS 54 HB3 LYS 54 -6.271 -6.353 11.643 5 HG2 LYS 54 HG2 LYS 54 -8.211 -5.682 10.493 6 HG3 LYS 54 HG3 LYS 54 -7.907 -6.812 9.169 7 HD2 LYS 54 HD2 LYS 54 -8.144 -8.668 10.787 8 HD3 LYS 54 HD3 LYS 54 -8.601 -7.491 12.017 9 HE2 LYS 54 HE2 LYS 54 -10.067 -8.144 9.466 10 HE3 LYS 54 HE3 LYS 54 -10.607 -8.446 11.115 11 HZ1 LYS 54 HZ1 LYS 54 -10.543 -5.970 11.427 12 HZ2 LYS 54 HZ2 LYS 54 -10.321 -5.832 9.755 13 HZ3 LYS 54 HZ3 LYS 54 -11.734 -6.536 10.364 No H/Q in entry = 13 In of MODEL 8 1 H GLU 55 H GLU 55 -6.920 -3.823 9.898 2 HA GLU 55 HA GLU 55 -8.307 -4.074 7.474 3 HB2 GLU 55 HB2 GLU 55 -8.063 -2.044 9.613 4 HB3 GLU 55 HB3 GLU 55 -8.511 -1.404 8.042 5 HG2 GLU 55 HG2 GLU 55 -10.222 -3.456 8.205 6 HG3 GLU 55 HG3 GLU 55 -10.032 -3.079 9.914 No H/Q in entry = 6 In of MODEL 8 1 H ALA 56 H ALA 56 -5.560 -1.951 8.353 2 HA ALA 56 HA ALA 56 -5.460 -0.746 5.836 3 HB1 ALA 56 HB1 ALA 56 -3.171 -0.089 6.386 4 HB2 ALA 56 HB2 ALA 56 -3.147 -1.254 7.710 5 HB3 ALA 56 HB3 ALA 56 -4.235 0.132 7.775 No H/Q in entry = 5 In of MODEL 8 1 H THR 57 H THR 57 -3.681 -3.550 7.110 2 HA THR 57 HA THR 57 -2.182 -4.249 4.930 3 HB THR 57 HB THR 57 -3.637 -6.125 6.804 4 HG1 THR 57 HG1 THR 57 -2.379 -4.808 8.038 5 HG21 THR 57 HG21 THR 57 -1.194 -6.526 5.081 6 HG22 THR 57 HG22 THR 57 -1.768 -7.661 6.307 7 HG23 THR 57 HG23 THR 57 -2.761 -7.312 4.893 No H/Q in entry = 7 In of MODEL 8 1 H GLU 58 H GLU 58 -5.519 -5.203 5.636 2 HA GLU 58 HA GLU 58 -5.934 -6.710 3.272 3 HB2 GLU 58 HB2 GLU 58 -7.781 -5.447 5.277 4 HB3 GLU 58 HB3 GLU 58 -8.396 -6.275 3.849 5 HG2 GLU 58 HG2 GLU 58 -7.035 -8.268 4.587 6 HG3 GLU 58 HG3 GLU 58 -6.788 -7.415 6.109 No H/Q in entry = 6 In of MODEL 8 1 H HIS 59 H HIS 59 -6.184 -3.260 3.917 2 HA HIS 59 HA HIS 59 -7.712 -2.781 1.522 3 HB2 HIS 59 HB2 HIS 59 -6.316 -0.883 3.420 4 HB3 HIS 59 HB3 HIS 59 -7.234 -0.356 2.014 5 HD1 HIS 59 HD1 HIS 59 -9.646 -2.319 2.343 6 HD2 HIS 59 HD2 HIS 59 -8.006 -0.020 5.393 7 HE1 HIS 59 HE1 HIS 59 -11.459 -2.091 4.067 8 HE2 HIS 59 HE2 HIS 59 -10.361 -0.911 6.005 No H/Q in entry = 8 In of MODEL 8 1 H LEU 60 H LEU 60 -4.350 -2.193 2.552 2 HA LEU 60 HA LEU 60 -3.333 -1.466 0.104 3 HB2 LEU 60 HB2 LEU 60 -2.172 -2.787 2.515 4 HB3 LEU 60 HB3 LEU 60 -1.195 -2.563 1.075 5 HG LEU 60 HG LEU 60 -1.815 -0.145 1.183 6 HD11 LEU 60 HD11 LEU 60 -3.741 -0.295 2.561 7 HD12 LEU 60 HD12 LEU 60 -2.751 -0.836 3.918 8 HD13 LEU 60 HD13 LEU 60 -2.543 0.795 3.269 9 HD21 LEU 60 HD21 LEU 60 -0.226 -1.268 3.471 10 HD22 LEU 60 HD22 LEU 60 0.386 -0.913 1.856 11 HD23 LEU 60 HD23 LEU 60 -0.152 0.400 2.904 No H/Q in entry = 11 In of MODEL 8 1 H LYS 61 H LYS 61 -4.132 -4.678 1.354 2 HA LYS 61 HA LYS 61 -2.866 -6.223 -0.614 3 HB2 LYS 61 HB2 LYS 61 -5.310 -6.637 1.077 4 HB3 LYS 61 HB3 LYS 61 -4.940 -7.774 -0.207 5 HG2 LYS 61 HG2 LYS 61 -2.768 -8.230 0.829 6 HG3 LYS 61 HG3 LYS 61 -3.159 -7.099 2.129 7 HD2 LYS 61 HD2 LYS 61 -5.053 -8.467 2.787 8 HD3 LYS 61 HD3 LYS 61 -4.760 -9.564 1.439 9 HE2 LYS 61 HE2 LYS 61 -2.599 -10.175 2.398 10 HE3 LYS 61 HE3 LYS 61 -2.873 -9.060 3.738 11 HZ1 LYS 61 HZ1 LYS 61 -4.613 -11.381 3.112 12 HZ2 LYS 61 HZ2 LYS 61 -3.392 -11.399 4.276 13 HZ3 LYS 61 HZ3 LYS 61 -4.723 -10.377 4.465 No H/Q in entry = 13 In of MODEL 8 1 H GLY 62 H GLY 62 -6.220 -5.038 -0.483 2 HA2 GLY 62 HA2 GLY 62 -7.692 -4.471 -2.142 3 HA3 GLY 62 HA3 GLY 62 -6.939 -5.737 -3.098 No H/Q in entry = 3 In of MODEL 8 1 H GLY 63 H GLY 63 -5.461 -2.763 -1.840 2 HA2 GLY 63 HA2 GLY 63 -4.225 -1.159 -2.914 3 HA3 GLY 63 HA3 GLY 63 -5.464 -1.237 -4.156 No H/Q in entry = 3 In of MODEL 8 1 H CYS 64 H CYS 64 -2.844 -3.375 -3.044 2 HA CYS 64 HA CYS 64 -1.388 -3.136 -5.473 3 HB2 CYS 64 HB2 CYS 64 -0.361 -3.721 -3.291 4 HB3 CYS 64 HB3 CYS 64 -1.181 -5.281 -3.350 No H/Q in entry = 4 In of MODEL 8 1 H ARG 65 H ARG 65 -3.964 -5.170 -4.396 2 HA ARG 65 HA ARG 65 -3.788 -7.247 -6.280 3 HB2 ARG 65 HB2 ARG 65 -5.264 -7.234 -4.274 4 HB3 ARG 65 HB3 ARG 65 -6.269 -6.022 -5.049 5 HG2 ARG 65 HG2 ARG 65 -5.815 -8.672 -6.356 6 HG3 ARG 65 HG3 ARG 65 -7.006 -8.491 -5.070 7 HD2 ARG 65 HD2 ARG 65 -8.032 -6.634 -6.394 8 HD3 ARG 65 HD3 ARG 65 -6.930 -7.038 -7.708 9 HE ARG 65 HE ARG 65 -9.218 -8.593 -6.786 10 HH11 ARG 65 HH11 ARG 65 -6.415 -8.399 -8.873 11 HH12 ARG 65 HH12 ARG 65 -6.999 -9.601 -9.980 12 HH21 ARG 65 HH21 ARG 65 -9.999 -10.156 -8.247 13 HH22 ARG 65 HH22 ARG 65 -9.043 -10.603 -9.623 No H/Q in entry = 13 In of MODEL 8 1 H GLU 66 H GLU 66 -5.234 -4.020 -6.431 2 HA GLU 66 HA GLU 66 -6.193 -4.375 -9.112 3 HB2 GLU 66 HB2 GLU 66 -5.763 -1.835 -7.528 4 HB3 GLU 66 HB3 GLU 66 -6.586 -1.936 -9.077 5 HG2 GLU 66 HG2 GLU 66 -8.187 -3.551 -7.950 6 HG3 GLU 66 HG3 GLU 66 -7.469 -3.026 -6.427 No H/Q in entry = 6 In of MODEL 8 1 H ILE 67 H ILE 67 -3.233 -3.281 -7.618 2 HA ILE 67 HA ILE 67 -2.043 -2.203 -9.955 3 HB ILE 67 HB ILE 67 -0.762 -3.425 -7.507 4 HG12 ILE 67 HG12 ILE 67 -1.163 -0.550 -8.373 5 HG13 ILE 67 HG13 ILE 67 -2.062 -1.378 -7.106 6 HG21 ILE 67 HG21 ILE 67 0.766 -3.589 -9.418 7 HG22 ILE 67 HG22 ILE 67 0.548 -1.868 -9.742 8 HG23 ILE 67 HG23 ILE 67 1.331 -2.391 -8.252 9 HD11 ILE 67 HD11 ILE 67 -0.011 -1.611 -5.807 10 HD12 ILE 67 HD12 ILE 67 0.884 -0.776 -7.077 11 HD13 ILE 67 HD13 ILE 67 -0.367 0.077 -6.175 No H/Q in entry = 11 In of MODEL 8 1 H LEU 68 H LEU 68 -2.088 -5.455 -8.543 2 HA LEU 68 HA LEU 68 -0.460 -6.682 -10.489 3 HB2 LEU 68 HB2 LEU 68 -1.161 -7.650 -8.272 4 HB3 LEU 68 HB3 LEU 68 -2.736 -7.967 -8.979 5 HG LEU 68 HG LEU 68 -1.734 -9.480 -10.604 6 HD11 LEU 68 HD11 LEU 68 0.419 -8.335 -10.836 7 HD12 LEU 68 HD12 LEU 68 0.869 -8.865 -9.214 8 HD13 LEU 68 HD13 LEU 68 0.625 -10.053 -10.495 9 HD21 LEU 68 HD21 LEU 68 -0.858 -10.048 -7.774 10 HD22 LEU 68 HD22 LEU 68 -2.446 -10.397 -8.461 11 HD23 LEU 68 HD23 LEU 68 -1.017 -11.244 -9.061 No H/Q in entry = 11 In of MODEL 8 1 H LYS 69 H LYS 69 -3.762 -5.690 -10.459 2 HA LYS 69 HA LYS 69 -4.565 -7.056 -12.813 3 HB2 LYS 69 HB2 LYS 69 -5.661 -4.561 -11.505 4 HB3 LYS 69 HB3 LYS 69 -6.379 -5.300 -12.927 5 HG2 LYS 69 HG2 LYS 69 -6.688 -7.387 -11.624 6 HG3 LYS 69 HG3 LYS 69 -6.094 -6.537 -10.196 7 HD2 LYS 69 HD2 LYS 69 -8.440 -6.426 -10.048 8 HD3 LYS 69 HD3 LYS 69 -7.944 -4.839 -10.639 9 HE2 LYS 69 HE2 LYS 69 -9.787 -5.436 -11.971 10 HE3 LYS 69 HE3 LYS 69 -8.375 -5.750 -12.977 11 HZ1 LYS 69 HZ1 LYS 69 -8.543 -8.119 -12.203 12 HZ2 LYS 69 HZ2 LYS 69 -10.045 -7.732 -11.536 13 HZ3 LYS 69 HZ3 LYS 69 -9.799 -7.605 -13.209 No H/Q in entry = 13 In of MODEL 8 1 H HIS 70 H HIS 70 -2.317 -4.662 -12.341 2 HA HIS 70 HA HIS 70 -2.712 -3.429 -14.969 3 HB2 HIS 70 HB2 HIS 70 -2.556 -1.842 -13.062 4 HB3 HIS 70 HB3 HIS 70 -0.973 -2.498 -12.668 5 HD1 HIS 70 HD1 HIS 70 -2.730 -0.282 -15.110 6 HD2 HIS 70 HD2 HIS 70 1.122 -1.650 -14.333 7 HE1 HIS 70 HE1 HIS 70 -1.207 1.178 -16.473 8 HE2 HIS 70 HE2 HIS 70 1.117 0.460 -15.842 No H/Q in entry = 8 In of MODEL 8 1 H VAL 71 H VAL 71 -0.241 -4.690 -12.757 2 HA VAL 71 HA VAL 71 1.882 -4.762 -14.566 3 HB VAL 71 HB VAL 71 1.762 -6.842 -12.438 4 HG11 VAL 71 HG11 VAL 71 3.749 -6.497 -13.785 5 HG12 VAL 71 HG12 VAL 71 3.822 -4.824 -13.223 6 HG13 VAL 71 HG13 VAL 71 4.038 -6.149 -12.079 7 HG21 VAL 71 HG21 VAL 71 1.788 -3.896 -11.857 8 HG22 VAL 71 HG22 VAL 71 0.748 -5.147 -11.169 9 HG23 VAL 71 HG23 VAL 71 2.464 -5.099 -10.752 No H/Q in entry = 9 In of MODEL 8 1 H VAL 72 H VAL 72 -0.057 -7.468 -13.337 2 HA VAL 72 HA VAL 72 1.038 -9.135 -15.448 3 HB VAL 72 HB VAL 72 0.691 -9.663 -12.849 4 HG11 VAL 72 HG11 VAL 72 -1.724 -9.570 -12.893 5 HG12 VAL 72 HG12 VAL 72 -1.764 -10.820 -14.138 6 HG13 VAL 72 HG13 VAL 72 -1.169 -11.202 -12.521 7 HG21 VAL 72 HG21 VAL 72 1.993 -10.947 -14.416 8 HG22 VAL 72 HG22 VAL 72 1.002 -11.999 -13.410 9 HG23 VAL 72 HG23 VAL 72 0.523 -11.665 -15.074 No H/Q in entry = 9 In of MODEL 8 1 H GLY 73 H GLY 73 -1.803 -7.422 -14.727 2 HA2 GLY 73 HA2 GLY 73 -3.068 -8.495 -17.108 3 HA3 GLY 73 HA3 GLY 73 -3.504 -7.009 -16.275 No H/Q in entry = 3 In of MODEL 8 1 H GLU 74 H GLU 74 -5.159 -9.198 -17.143 2 HA GLU 74 HA GLU 74 -6.584 -9.623 -14.643 3 HB2 GLU 74 HB2 GLU 74 -7.681 -8.786 -16.763 4 HB3 GLU 74 HB3 GLU 74 -7.440 -10.390 -17.436 5 HG2 GLU 74 HG2 GLU 74 -9.692 -10.170 -16.627 6 HG3 GLU 74 HG3 GLU 74 -8.814 -11.329 -15.627 No H/Q in entry = 6 In of MODEL 8 1 H GLU 75 H GLU 75 -5.266 -11.473 -17.323 2 HA GLU 75 HA GLU 75 -5.980 -14.045 -16.936 3 HB2 GLU 75 HB2 GLU 75 -4.525 -13.338 -18.723 4 HB3 GLU 75 HB3 GLU 75 -3.234 -12.988 -17.583 5 HG2 GLU 75 HG2 GLU 75 -2.677 -15.033 -18.589 6 HG3 GLU 75 HG3 GLU 75 -3.267 -15.430 -16.975 No H/Q in entry = 6 In of MODEL 8 1 H LYS 76 H LYS 76 -2.979 -12.806 -15.447 2 HA LYS 76 HA LYS 76 -2.665 -15.287 -14.084 3 HB2 LYS 76 HB2 LYS 76 -1.086 -12.728 -13.891 4 HB3 LYS 76 HB3 LYS 76 -0.612 -14.278 -13.233 5 HG2 LYS 76 HG2 LYS 76 -1.036 -13.698 -16.149 6 HG3 LYS 76 HG3 LYS 76 0.526 -13.803 -15.338 7 HD2 LYS 76 HD2 LYS 76 -1.492 -16.038 -15.563 8 HD3 LYS 76 HD3 LYS 76 -0.026 -15.876 -16.532 9 HE2 LYS 76 HE2 LYS 76 1.301 -15.964 -14.443 10 HE3 LYS 76 HE3 LYS 76 -0.186 -16.248 -13.545 11 HZ1 LYS 76 HZ1 LYS 76 -0.522 -18.264 -14.870 12 HZ2 LYS 76 HZ2 LYS 76 0.972 -18.012 -15.631 13 HZ3 LYS 76 HZ3 LYS 76 0.910 -18.316 -13.968 No H/Q in entry = 13 In of MODEL 8 1 H ALA 77 H ALA 77 -3.532 -12.002 -13.146 2 HA ALA 77 HA ALA 77 -3.534 -12.401 -10.363 3 HB1 ALA 77 HB1 ALA 77 -4.990 -10.415 -10.282 4 HB2 ALA 77 HB2 ALA 77 -5.234 -10.520 -12.027 5 HB3 ALA 77 HB3 ALA 77 -3.632 -10.166 -11.380 No H/Q in entry = 5 In of MODEL 8 1 H ALA 78 H ALA 78 -5.838 -13.129 -12.888 2 HA ALA 78 HA ALA 78 -8.045 -13.758 -11.230 3 HB1 ALA 78 HB1 ALA 78 -8.872 -14.946 -13.276 4 HB2 ALA 78 HB2 ALA 78 -8.420 -13.261 -13.532 5 HB3 ALA 78 HB3 ALA 78 -7.332 -14.549 -14.053 No H/Q in entry = 5 In of MODEL 8 1 H GLU 79 H GLU 79 -5.435 -15.705 -12.647 2 HA GLU 79 HA GLU 79 -6.518 -18.153 -11.670 3 HB2 GLU 79 HB2 GLU 79 -4.716 -19.238 -12.642 4 HB3 GLU 79 HB3 GLU 79 -5.026 -17.861 -13.689 5 HG2 GLU 79 HG2 GLU 79 -3.231 -16.657 -12.712 6 HG3 GLU 79 HG3 GLU 79 -2.962 -17.947 -11.548 No H/Q in entry = 6 In of MODEL 8 1 H LEU 80 H LEU 80 -4.422 -15.752 -10.402 2 HA LEU 80 HA LEU 80 -3.427 -17.323 -8.251 3 HB2 LEU 80 HB2 LEU 80 -3.576 -14.350 -8.694 4 HB3 LEU 80 HB3 LEU 80 -2.769 -15.094 -7.324 5 HG LEU 80 HG LEU 80 -2.038 -15.728 -10.173 6 HD11 LEU 80 HD11 LEU 80 -0.879 -13.644 -8.343 7 HD12 LEU 80 HD12 LEU 80 -0.119 -14.212 -9.832 8 HD13 LEU 80 HD13 LEU 80 -1.678 -13.387 -9.898 9 HD21 LEU 80 HD21 LEU 80 -1.430 -17.339 -8.406 10 HD22 LEU 80 HD22 LEU 80 -0.028 -16.618 -9.200 11 HD23 LEU 80 HD23 LEU 80 -0.521 -16.063 -7.598 No H/Q in entry = 11 In of MODEL 8 1 H LYS 81 H LYS 81 -6.273 -15.360 -8.753 2 HA LYS 81 HA LYS 81 -7.128 -15.287 -6.057 3 HB2 LYS 81 HB2 LYS 81 -8.680 -15.166 -8.647 4 HB3 LYS 81 HB3 LYS 81 -9.424 -14.956 -7.069 5 HG2 LYS 81 HG2 LYS 81 -7.222 -13.227 -8.183 6 HG3 LYS 81 HG3 LYS 81 -8.938 -12.827 -8.212 7 HD2 LYS 81 HD2 LYS 81 -7.362 -13.356 -5.696 8 HD3 LYS 81 HD3 LYS 81 -7.670 -11.748 -6.354 9 HE2 LYS 81 HE2 LYS 81 -10.058 -12.075 -6.112 10 HE3 LYS 81 HE3 LYS 81 -9.802 -13.727 -5.553 11 HZ1 LYS 81 HZ1 LYS 81 -8.643 -12.850 -3.620 12 HZ2 LYS 81 HZ2 LYS 81 -8.893 -11.268 -4.157 13 HZ3 LYS 81 HZ3 LYS 81 -10.210 -12.227 -3.712 No H/Q in entry = 13 In of MODEL 8 1 H ASN 82 H ASN 82 -7.818 -17.507 -8.732 2 HA ASN 82 HA ASN 82 -9.384 -19.280 -7.142 3 HB2 ASN 82 HB2 ASN 82 -9.547 -19.139 -9.631 4 HB3 ASN 82 HB3 ASN 82 -7.948 -19.862 -9.741 5 HD21 ASN 82 HD21 ASN 82 -8.546 -21.698 -10.781 6 HD22 ASN 82 HD22 ASN 82 -9.544 -22.920 -10.072 No H/Q in entry = 6 In of MODEL 8 1 H LEU 83 H LEU 83 -5.989 -18.972 -7.888 2 HA LEU 83 HA LEU 83 -5.083 -21.505 -7.169 3 HB2 LEU 83 HB2 LEU 83 -3.942 -19.117 -7.928 4 HB3 LEU 83 HB3 LEU 83 -3.374 -19.296 -6.278 5 HG LEU 83 HG LEU 83 -3.002 -21.334 -8.485 6 HD11 LEU 83 HD11 LEU 83 -1.070 -19.358 -7.286 7 HD12 LEU 83 HD12 LEU 83 -0.637 -20.660 -8.395 8 HD13 LEU 83 HD13 LEU 83 -1.697 -19.358 -8.934 9 HD21 LEU 83 HD21 LEU 83 -3.099 -22.303 -6.220 10 HD22 LEU 83 HD22 LEU 83 -1.510 -22.463 -6.964 11 HD23 LEU 83 HD23 LEU 83 -1.785 -21.235 -5.730 No H/Q in entry = 11 In of MODEL 8 1 H LYS 84 H LYS 84 -5.738 -18.646 -5.233 2 HA LYS 84 HA LYS 84 -4.810 -19.739 -2.771 3 HB2 LYS 84 HB2 LYS 84 -5.144 -17.274 -3.424 4 HB3 LYS 84 HB3 LYS 84 -6.837 -17.537 -3.041 5 HG2 LYS 84 HG2 LYS 84 -6.197 -18.225 -0.764 6 HG3 LYS 84 HG3 LYS 84 -4.517 -17.866 -1.150 7 HD2 LYS 84 HD2 LYS 84 -5.410 -15.994 0.033 8 HD3 LYS 84 HD3 LYS 84 -5.218 -15.519 -1.654 9 HE2 LYS 84 HE2 LYS 84 -7.333 -14.708 -0.865 10 HE3 LYS 84 HE3 LYS 84 -7.621 -16.010 -2.014 11 HZ1 LYS 84 HZ1 LYS 84 -7.702 -16.272 0.944 12 HZ2 LYS 84 HZ2 LYS 84 -9.053 -16.200 -0.075 13 HZ3 LYS 84 HZ3 LYS 84 -7.994 -17.516 -0.161 No H/Q in entry = 13 In of MODEL 8 1 H ASP 85 H ASP 85 -8.002 -19.136 -4.142 2 HA ASP 85 HA ASP 85 -9.569 -20.202 -2.093 3 HB2 ASP 85 HB2 ASP 85 -10.453 -18.847 -3.956 4 HB3 ASP 85 HB3 ASP 85 -10.168 -20.198 -5.050 No H/Q in entry = 4 In of MODEL 8 1 H SER 86 H SER 86 -7.935 -21.882 -4.739 2 HA SER 86 HA SER 86 -9.311 -24.338 -4.148 3 HB2 SER 86 HB2 SER 86 -7.663 -25.330 -5.786 4 HB3 SER 86 HB3 SER 86 -8.667 -24.031 -6.428 5 HG SER 86 HG SER 86 -6.971 -22.713 -6.499 No H/Q in entry = 5 In of MODEL 8 1 H GLY 87 H GLY 87 -6.776 -22.676 -2.748 2 HA2 GLY 87 HA2 GLY 87 -5.932 -25.143 -1.364 3 HA3 GLY 87 HA3 GLY 87 -6.230 -23.630 -0.529 No H/Q in entry = 3 In of MODEL 8 1 H ALA 88 H ALA 88 -4.864 -21.894 -2.379 2 HA ALA 88 HA ALA 88 -2.173 -22.903 -2.441 3 HB1 ALA 88 HB1 ALA 88 -2.960 -20.035 -2.868 4 HB2 ALA 88 HB2 ALA 88 -3.068 -21.267 -4.127 5 HB3 ALA 88 HB3 ALA 88 -1.505 -20.854 -3.420 No H/Q in entry = 5 In of MODEL 8 1 H SER 89 H SER 89 -0.853 -22.789 -0.822 2 HA SER 89 HA SER 89 -1.445 -21.239 1.545 3 HB2 SER 89 HB2 SER 89 -0.571 -23.596 1.649 4 HB3 SER 89 HB3 SER 89 0.957 -22.998 1.006 5 HG SER 89 HG SER 89 -0.134 -22.744 3.540 No H/Q in entry = 5 In of MODEL 8 1 H LYS 90 H LYS 90 0.798 -20.347 2.525 2 HA LYS 90 HA LYS 90 1.177 -17.886 1.395 3 HB2 LYS 90 HB2 LYS 90 1.833 -18.506 3.681 4 HB3 LYS 90 HB3 LYS 90 3.163 -19.457 3.040 5 HG2 LYS 90 HG2 LYS 90 4.093 -17.365 2.056 6 HG3 LYS 90 HG3 LYS 90 2.830 -16.473 2.905 7 HD2 LYS 90 HD2 LYS 90 4.817 -16.390 4.237 8 HD3 LYS 90 HD3 LYS 90 3.668 -17.464 5.039 9 HE2 LYS 90 HE2 LYS 90 4.837 -19.398 4.027 10 HE3 LYS 90 HE3 LYS 90 6.019 -18.288 3.338 11 HZ1 LYS 90 HZ1 LYS 90 6.576 -17.587 5.599 12 HZ2 LYS 90 HZ2 LYS 90 5.494 -18.722 6.223 13 HZ3 LYS 90 HZ3 LYS 90 6.855 -19.236 5.365 No H/Q in entry = 13 In of MODEL 8 1 H GLU 91 H GLU 91 3.189 -20.775 0.888 2 HA GLU 91 HA GLU 91 5.160 -19.317 -0.560 3 HB2 GLU 91 HB2 GLU 91 4.755 -22.271 -0.175 4 HB3 GLU 91 HB3 GLU 91 6.131 -21.569 -1.018 5 HG2 GLU 91 HG2 GLU 91 6.724 -20.337 1.028 6 HG3 GLU 91 HG3 GLU 91 5.387 -21.126 1.864 No H/Q in entry = 6 In of MODEL 8 1 H GLU 92 H GLU 92 2.608 -21.544 -1.571 2 HA GLU 92 HA GLU 92 3.042 -21.734 -4.257 3 HB2 GLU 92 HB2 GLU 92 0.384 -21.414 -2.865 4 HB3 GLU 92 HB3 GLU 92 0.665 -22.174 -4.416 5 HG2 GLU 92 HG2 GLU 92 1.859 -23.191 -1.869 6 HG3 GLU 92 HG3 GLU 92 0.296 -23.711 -2.482 No H/Q in entry = 6 In of MODEL 8 1 H LEU 93 H LEU 93 1.217 -19.224 -2.491 2 HA LEU 93 HA LEU 93 0.992 -17.652 -4.887 3 HB2 LEU 93 HB2 LEU 93 0.481 -16.926 -2.005 4 HB3 LEU 93 HB3 LEU 93 0.213 -15.825 -3.351 5 HG LEU 93 HG LEU 93 -1.206 -18.432 -2.806 6 HD11 LEU 93 HD11 LEU 93 -2.175 -15.601 -3.048 7 HD12 LEU 93 HD12 LEU 93 -3.213 -17.021 -2.907 8 HD13 LEU 93 HD13 LEU 93 -2.123 -16.589 -1.585 9 HD21 LEU 93 HD21 LEU 93 -1.274 -16.723 -5.283 10 HD22 LEU 93 HD22 LEU 93 -0.787 -18.415 -5.158 11 HD23 LEU 93 HD23 LEU 93 -2.471 -17.959 -4.897 No H/Q in entry = 11 In of MODEL 8 1 H LYS 94 H LYS 94 3.384 -17.907 -2.315 2 HA LYS 94 HA LYS 94 4.527 -15.362 -2.785 3 HB2 LYS 94 HB2 LYS 94 4.946 -16.553 -0.711 4 HB3 LYS 94 HB3 LYS 94 5.713 -17.864 -1.586 5 HG2 LYS 94 HG2 LYS 94 7.499 -16.341 -2.293 6 HG3 LYS 94 HG3 LYS 94 6.745 -15.054 -1.346 7 HD2 LYS 94 HD2 LYS 94 7.206 -16.116 0.687 8 HD3 LYS 94 HD3 LYS 94 7.500 -17.674 -0.091 9 HE2 LYS 94 HE2 LYS 94 9.586 -16.663 0.656 10 HE3 LYS 94 HE3 LYS 94 9.540 -16.792 -1.099 11 HZ1 LYS 94 HZ1 LYS 94 8.947 -14.324 0.436 12 HZ2 LYS 94 HZ2 LYS 94 10.414 -14.661 -0.328 13 HZ3 LYS 94 HZ3 LYS 94 9.011 -14.463 -1.249 No H/Q in entry = 13 In of MODEL 8 1 H ALA 95 H ALA 95 5.182 -18.566 -4.016 2 HA ALA 95 HA ALA 95 7.461 -17.577 -5.512 3 HB1 ALA 95 HB1 ALA 95 6.316 -20.359 -5.355 4 HB2 ALA 95 HB2 ALA 95 7.625 -19.725 -4.355 5 HB3 ALA 95 HB3 ALA 95 7.852 -19.901 -6.095 No H/Q in entry = 5 In of MODEL 8 1 H LYS 96 H LYS 96 4.348 -19.194 -6.212 2 HA LYS 96 HA LYS 96 4.696 -19.111 -9.020 3 HB2 LYS 96 HB2 LYS 96 2.256 -19.372 -7.295 4 HB3 LYS 96 HB3 LYS 96 2.174 -19.382 -9.041 5 HG2 LYS 96 HG2 LYS 96 3.687 -21.328 -7.318 6 HG3 LYS 96 HG3 LYS 96 2.183 -21.644 -8.187 7 HD2 LYS 96 HD2 LYS 96 3.356 -21.226 -10.315 8 HD3 LYS 96 HD3 LYS 96 4.857 -20.978 -9.420 9 HE2 LYS 96 HE2 LYS 96 4.690 -23.272 -8.547 10 HE3 LYS 96 HE3 LYS 96 3.227 -23.512 -9.501 11 HZ1 LYS 96 HZ1 LYS 96 4.538 -23.099 -11.505 12 HZ2 LYS 96 HZ2 LYS 96 5.938 -22.937 -10.567 13 HZ3 LYS 96 HZ3 LYS 96 5.132 -24.421 -10.633 No H/Q in entry = 13 In of MODEL 8 1 H VAL 97 H VAL 97 3.716 -16.672 -6.793 2 HA VAL 97 HA VAL 97 2.427 -14.916 -8.603 3 HB VAL 97 HB VAL 97 2.781 -14.877 -5.921 4 HG11 VAL 97 HG11 VAL 97 4.628 -12.904 -7.147 5 HG12 VAL 97 HG12 VAL 97 4.024 -12.760 -5.492 6 HG13 VAL 97 HG13 VAL 97 5.002 -14.153 -5.969 7 HG21 VAL 97 HG21 VAL 97 2.116 -12.541 -7.694 8 HG22 VAL 97 HG22 VAL 97 0.991 -13.780 -7.144 9 HG23 VAL 97 HG23 VAL 97 1.727 -12.677 -5.980 No H/Q in entry = 9 In of MODEL 8 1 H GLU 98 H GLU 98 5.759 -15.509 -7.765 2 HA GLU 98 HA GLU 98 6.679 -13.118 -9.054 3 HB2 GLU 98 HB2 GLU 98 8.160 -15.454 -7.865 4 HB3 GLU 98 HB3 GLU 98 8.934 -14.008 -8.502 5 HG2 GLU 98 HG2 GLU 98 7.675 -12.650 -6.884 6 HG3 GLU 98 HG3 GLU 98 6.975 -14.122 -6.210 No H/Q in entry = 6 In of MODEL 8 1 H GLU 99 H GLU 99 6.026 -16.307 -10.034 2 HA GLU 99 HA GLU 99 7.569 -16.279 -12.449 3 HB2 GLU 99 HB2 GLU 99 5.005 -17.747 -11.775 4 HB3 GLU 99 HB3 GLU 99 6.013 -18.059 -13.182 5 HG2 GLU 99 HG2 GLU 99 6.819 -18.434 -10.308 6 HG3 GLU 99 HG3 GLU 99 6.392 -19.709 -11.447 No H/Q in entry = 6 In of MODEL 8 1 H ALA 100 H ALA 100 4.226 -15.503 -11.614 2 HA ALA 100 HA ALA 100 3.425 -14.602 -14.151 3 HB1 ALA 100 HB1 ALA 100 2.359 -13.576 -11.530 4 HB2 ALA 100 HB2 ALA 100 1.961 -15.171 -12.165 5 HB3 ALA 100 HB3 ALA 100 1.512 -13.728 -13.069 No H/Q in entry = 5 In of MODEL 8 1 H LEU 101 H LEU 101 4.647 -12.851 -11.314 2 HA LEU 101 HA LEU 101 4.812 -10.329 -12.571 3 HB2 LEU 101 HB2 LEU 101 5.983 -11.535 -10.095 4 HB3 LEU 101 HB3 LEU 101 6.489 -9.946 -10.619 5 HG LEU 101 HG LEU 101 4.706 -10.013 -8.850 6 HD11 LEU 101 HD11 LEU 101 4.088 -8.595 -11.430 7 HD12 LEU 101 HD12 LEU 101 3.382 -8.203 -9.861 8 HD13 LEU 101 HD13 LEU 101 5.114 -8.008 -10.123 9 HD21 LEU 101 HD21 LEU 101 3.380 -11.860 -9.738 10 HD22 LEU 101 HD22 LEU 101 2.412 -10.403 -9.514 11 HD23 LEU 101 HD23 LEU 101 2.944 -10.867 -11.130 No H/Q in entry = 11 In of MODEL 8 1 H HIS 102 H HIS 102 6.651 -13.098 -13.080 2 HA HIS 102 HA HIS 102 9.006 -11.592 -13.864 3 HB2 HIS 102 HB2 HIS 102 9.051 -13.965 -12.857 4 HB3 HIS 102 HB3 HIS 102 8.504 -14.515 -14.433 5 HD1 HIS 102 HD1 HIS 102 10.222 -14.320 -16.411 6 HD2 HIS 102 HD2 HIS 102 11.698 -13.305 -12.665 7 HE1 HIS 102 HE1 HIS 102 12.720 -14.242 -16.671 8 HE2 HIS 102 HE2 HIS 102 13.593 -13.832 -14.345 No H/Q in entry = 8 In of MODEL 8 1 H ALA 103 H ALA 103 6.433 -13.534 -15.229 2 HA ALA 103 HA ALA 103 7.295 -13.517 -17.899 3 HB1 ALA 103 HB1 ALA 103 4.511 -13.968 -16.869 4 HB2 ALA 103 HB2 ALA 103 5.804 -15.166 -16.785 5 HB3 ALA 103 HB3 ALA 103 5.221 -14.601 -18.356 No H/Q in entry = 5 In of MODEL 8 1 H VAL 104 H VAL 104 6.218 -10.840 -16.284 2 HA VAL 104 HA VAL 104 4.509 -9.807 -18.301 3 HB VAL 104 HB VAL 104 3.892 -9.079 -16.234 4 HG11 VAL 104 HG11 VAL 104 5.783 -9.908 -15.014 5 HG12 VAL 104 HG12 VAL 104 6.753 -8.539 -15.545 6 HG13 VAL 104 HG13 VAL 104 5.367 -8.281 -14.489 7 HG21 VAL 104 HG21 VAL 104 4.109 -7.145 -17.745 8 HG22 VAL 104 HG22 VAL 104 4.301 -6.704 -16.050 9 HG23 VAL 104 HG23 VAL 104 5.717 -6.852 -17.087 No H/Q in entry = 9 In of MODEL 8 1 H THR 105 H THR 105 7.446 -8.312 -16.974 2 HA THR 105 HA THR 105 9.331 -7.497 -17.898 3 HB THR 105 HB THR 105 10.245 -8.369 -19.922 4 HG1 THR 105 HG1 THR 105 7.559 -8.943 -20.536 5 HG21 THR 105 HG21 THR 105 10.214 -9.900 -18.030 6 HG22 THR 105 HG22 THR 105 8.630 -10.500 -18.529 7 HG23 THR 105 HG23 THR 105 10.043 -10.782 -19.550 No H/Q in entry = 7 In of MODEL 8 1 H ASP 106 H ASP 106 6.444 -6.382 -18.689 2 HA ASP 106 HA ASP 106 7.357 -4.467 -20.666 3 HB2 ASP 106 HB2 ASP 106 4.772 -4.960 -19.242 4 HB3 ASP 106 HB3 ASP 106 5.048 -3.412 -20.026 No H/Q in entry = 4 In of MODEL 8 1 H GLU 107 H GLU 107 7.819 -2.318 -20.258 2 HA GLU 107 HA GLU 107 9.496 -2.148 -18.049 3 HB2 GLU 107 HB2 GLU 107 9.968 -1.002 -20.129 4 HB3 GLU 107 HB3 GLU 107 8.594 0.067 -19.879 5 HG2 GLU 107 HG2 GLU 107 9.644 0.992 -17.897 6 HG3 GLU 107 HG3 GLU 107 11.003 -0.114 -18.083 No H/Q in entry = 6 In of MODEL 8 1 H GLU 108 H GLU 108 6.548 -0.198 -18.619 2 HA GLU 108 HA GLU 108 6.763 1.176 -16.156 3 HB2 GLU 108 HB2 GLU 108 4.519 0.805 -18.115 4 HB3 GLU 108 HB3 GLU 108 4.267 1.653 -16.598 5 HG2 GLU 108 HG2 GLU 108 6.324 2.406 -18.655 6 HG3 GLU 108 HG3 GLU 108 4.730 3.144 -18.504 No H/Q in entry = 6 In of MODEL 8 1 H LYS 109 H LYS 109 5.138 -1.793 -17.092 2 HA LYS 109 HA LYS 109 3.760 -2.198 -14.663 3 HB2 LYS 109 HB2 LYS 109 4.749 -4.106 -16.774 4 HB3 LYS 109 HB3 LYS 109 3.773 -4.611 -15.401 5 HG2 LYS 109 HG2 LYS 109 1.936 -3.256 -16.115 6 HG3 LYS 109 HG3 LYS 109 2.916 -2.510 -17.376 7 HD2 LYS 109 HD2 LYS 109 3.076 -4.627 -18.543 8 HD3 LYS 109 HD3 LYS 109 2.192 -5.435 -17.249 9 HE2 LYS 109 HE2 LYS 109 0.736 -4.974 -19.145 10 HE3 LYS 109 HE3 LYS 109 0.233 -4.057 -17.727 11 HZ1 LYS 109 HZ1 LYS 109 1.434 -2.131 -18.672 12 HZ2 LYS 109 HZ2 LYS 109 1.736 -3.028 -20.074 13 HZ3 LYS 109 HZ3 LYS 109 0.150 -2.650 -19.633 No H/Q in entry = 13 In of MODEL 8 1 H LYS 110 H LYS 110 7.011 -3.125 -15.752 2 HA LYS 110 HA LYS 110 7.705 -4.437 -13.313 3 HB2 LYS 110 HB2 LYS 110 9.433 -3.293 -15.505 4 HB3 LYS 110 HB3 LYS 110 10.060 -4.200 -14.139 5 HG2 LYS 110 HG2 LYS 110 8.511 -6.083 -14.921 6 HG3 LYS 110 HG3 LYS 110 8.386 -5.165 -16.424 7 HD2 LYS 110 HD2 LYS 110 10.998 -5.986 -15.170 8 HD3 LYS 110 HD3 LYS 110 10.178 -6.920 -16.414 9 HE2 LYS 110 HE2 LYS 110 10.371 -5.106 -17.979 10 HE3 LYS 110 HE3 LYS 110 11.011 -4.044 -16.729 11 HZ1 LYS 110 HZ1 LYS 110 12.950 -5.485 -16.562 12 HZ2 LYS 110 HZ2 LYS 110 12.337 -6.482 -17.779 13 HZ3 LYS 110 HZ3 LYS 110 12.773 -4.887 -18.132 No H/Q in entry = 13 In of MODEL 8 1 H GLN 111 H GLN 111 7.485 -1.173 -14.227 2 HA GLN 111 HA GLN 111 9.195 -0.005 -12.299 3 HB2 GLN 111 HB2 GLN 111 7.732 1.076 -14.222 4 HB3 GLN 111 HB3 GLN 111 6.520 1.198 -12.961 5 HG2 GLN 111 HG2 GLN 111 9.256 2.458 -12.945 6 HG3 GLN 111 HG3 GLN 111 7.724 3.278 -13.210 7 HE21 GLN 111 HE21 GLN 111 9.899 1.945 -10.898 8 HE22 GLN 111 HE22 GLN 111 9.077 2.503 -9.483 No H/Q in entry = 8 In of MODEL 8 1 H TYR 112 H TYR 112 5.883 -1.194 -12.206 2 HA TYR 112 HA TYR 112 5.424 -0.500 -9.459 3 HB2 TYR 112 HB2 TYR 112 3.966 -2.289 -11.402 4 HB3 TYR 112 HB3 TYR 112 3.464 -2.122 -9.723 5 HD1 TYR 112 HD1 TYR 112 2.621 0.038 -8.893 6 HD2 TYR 112 HD2 TYR 112 3.542 -0.552 -13.003 7 HE1 TYR 112 HE1 TYR 112 1.324 2.047 -9.464 8 HE2 TYR 112 HE2 TYR 112 2.248 1.455 -13.586 9 HH TYR 112 HH TYR 112 1.134 3.681 -11.224 No H/Q in entry = 9 In of MODEL 8 1 H ILE 113 H ILE 113 6.600 -3.332 -11.187 2 HA ILE 113 HA ILE 113 6.578 -5.156 -9.072 3 HB ILE 113 HB ILE 113 8.591 -4.922 -11.307 4 HG12 ILE 113 HG12 ILE 113 6.057 -6.536 -10.991 5 HG13 ILE 113 HG13 ILE 113 6.322 -5.210 -12.116 6 HG21 ILE 113 HG21 ILE 113 8.018 -7.230 -9.449 7 HG22 ILE 113 HG22 ILE 113 9.085 -7.284 -10.851 8 HG23 ILE 113 HG23 ILE 113 9.487 -6.253 -9.477 9 HD11 ILE 113 HD11 ILE 113 8.109 -6.591 -13.168 10 HD12 ILE 113 HD12 ILE 113 7.584 -7.926 -12.152 11 HD13 ILE 113 HD13 ILE 113 6.477 -7.229 -13.333 No H/Q in entry = 11 In of MODEL 8 1 H ALA 114 H ALA 114 9.112 -2.880 -10.104 2 HA ALA 114 HA ALA 114 10.885 -3.400 -7.937 3 HB1 ALA 114 HB1 ALA 114 11.714 -2.455 -9.995 4 HB2 ALA 114 HB2 ALA 114 11.992 -1.306 -8.685 5 HB3 ALA 114 HB3 ALA 114 10.662 -1.049 -9.819 No H/Q in entry = 5 In of MODEL 8 1 H ASP 115 H ASP 115 8.322 -1.064 -8.497 2 HA ASP 115 HA ASP 115 8.990 0.574 -6.259 3 HB2 ASP 115 HB2 ASP 115 7.903 1.503 -8.211 4 HB3 ASP 115 HB3 ASP 115 6.525 0.433 -7.995 No H/Q in entry = 4 In of MODEL 8 1 H PHE 116 H PHE 116 6.242 -1.602 -6.889 2 HA PHE 116 HA PHE 116 5.501 -1.284 -4.075 3 HB2 PHE 116 HB2 PHE 116 3.978 -1.288 -6.467 4 HB3 PHE 116 HB3 PHE 116 3.541 -2.750 -5.595 5 HD1 PHE 116 HD1 PHE 116 2.587 -2.589 -3.328 6 HD2 PHE 116 HD2 PHE 116 3.310 0.844 -5.735 7 HE1 PHE 116 HE1 PHE 116 1.061 -1.285 -1.908 8 HE2 PHE 116 HE2 PHE 116 1.784 2.161 -4.312 9 HZ PHE 116 HZ PHE 116 0.657 1.087 -2.401 No H/Q in entry = 9 In of MODEL 8 1 H GLY 117 H GLY 117 6.713 -3.584 -6.314 2 HA2 GLY 117 HA2 GLY 117 7.326 -5.794 -6.064 3 HA3 GLY 117 HA3 GLY 117 5.668 -5.998 -5.536 No H/Q in entry = 3 In of MODEL 8 1 HA PRO 118 HA PRO 118 9.070 -6.805 -2.170 2 HB2 PRO 118 HB2 PRO 118 10.275 -4.563 -1.136 3 HB3 PRO 118 HB3 PRO 118 10.968 -5.559 -2.419 4 HG2 PRO 118 HG2 PRO 118 9.409 -3.010 -2.634 5 HG3 PRO 118 HG3 PRO 118 10.886 -3.492 -3.492 6 HD2 PRO 118 HD2 PRO 118 8.506 -3.638 -4.688 7 HD3 PRO 118 HD3 PRO 118 9.729 -4.904 -4.941 No H/Q in entry = 7 In of MODEL 8 1 H ALA 119 H ALA 119 7.278 -3.771 -1.980 2 HA ALA 119 HA ALA 119 6.849 -3.967 0.860 3 HB1 ALA 119 HB1 ALA 119 5.407 -2.013 0.541 4 HB2 ALA 119 HB2 ALA 119 5.612 -2.160 -1.204 5 HB3 ALA 119 HB3 ALA 119 7.000 -1.795 -0.180 No H/Q in entry = 5 In of MODEL 8 1 H CYS 120 H CYS 120 4.986 -4.598 -2.080 2 HA CYS 120 HA CYS 120 2.572 -5.416 -1.009 3 HB2 CYS 120 HB2 CYS 120 4.137 -6.555 -3.327 4 HB3 CYS 120 HB3 CYS 120 2.488 -7.034 -2.943 No H/Q in entry = 4 In of MODEL 8 1 H LYS 121 H LYS 121 5.680 -7.076 -1.033 2 HA LYS 121 HA LYS 121 4.868 -9.618 -0.257 3 HB2 LYS 121 HB2 LYS 121 7.352 -8.069 -0.060 4 HB3 LYS 121 HB3 LYS 121 7.195 -9.343 1.139 5 HG2 LYS 121 HG2 LYS 121 8.371 -10.106 -0.858 6 HG3 LYS 121 HG3 LYS 121 6.867 -10.989 -0.608 7 HD2 LYS 121 HD2 LYS 121 5.766 -9.563 -2.271 8 HD3 LYS 121 HD3 LYS 121 7.283 -8.699 -2.530 9 HE2 LYS 121 HE2 LYS 121 6.821 -11.639 -3.012 10 HE3 LYS 121 HE3 LYS 121 6.882 -10.392 -4.258 11 HZ1 LYS 121 HZ1 LYS 121 9.176 -9.927 -3.612 12 HZ2 LYS 121 HZ2 LYS 121 9.113 -11.154 -2.451 13 HZ3 LYS 121 HZ3 LYS 121 8.991 -11.543 -4.095 No H/Q in entry = 13 In of MODEL 8 1 H LYS 122 H LYS 122 5.849 -6.976 1.998 2 HA LYS 122 HA LYS 122 4.970 -8.425 4.274 3 HB2 LYS 122 HB2 LYS 122 5.172 -6.346 5.528 4 HB3 LYS 122 HB3 LYS 122 6.577 -6.608 4.512 5 HG2 LYS 122 HG2 LYS 122 5.604 -5.005 2.873 6 HG3 LYS 122 HG3 LYS 122 4.327 -4.666 4.046 7 HD2 LYS 122 HD2 LYS 122 7.291 -4.278 4.487 8 HD3 LYS 122 HD3 LYS 122 6.116 -2.999 4.179 9 HE2 LYS 122 HE2 LYS 122 4.987 -3.471 6.253 10 HE3 LYS 122 HE3 LYS 122 6.007 -4.880 6.535 11 HZ1 LYS 122 HZ1 LYS 122 7.917 -3.416 6.726 12 HZ2 LYS 122 HZ2 LYS 122 6.941 -2.060 6.459 13 HZ3 LYS 122 HZ3 LYS 122 6.727 -2.996 7.855 No H/Q in entry = 13 In of MODEL 8 1 H ILE 123 H ILE 123 3.337 -6.424 1.963 2 HA ILE 123 HA ILE 123 1.030 -5.851 3.479 3 HB ILE 123 HB ILE 123 1.459 -5.949 0.517 4 HG12 ILE 123 HG12 ILE 123 1.095 -3.664 2.463 5 HG13 ILE 123 HG13 ILE 123 2.645 -4.210 1.829 6 HG21 ILE 123 HG21 ILE 123 -0.980 -5.056 2.046 7 HG22 ILE 123 HG22 ILE 123 -0.701 -4.767 0.328 8 HG23 ILE 123 HG23 ILE 123 -0.880 -6.415 0.927 9 HD11 ILE 123 HD11 ILE 123 0.393 -3.178 0.146 10 HD12 ILE 123 HD12 ILE 123 1.753 -2.211 0.709 11 HD13 ILE 123 HD13 ILE 123 2.027 -3.566 -0.382 No H/Q in entry = 11 In of MODEL 8 1 H TYR 124 H TYR 124 1.676 -8.251 1.056 2 HA TYR 124 HA TYR 124 -0.625 -9.886 1.572 3 HB2 TYR 124 HB2 TYR 124 1.800 -10.203 -0.191 4 HB3 TYR 124 HB3 TYR 124 0.580 -11.459 -0.027 5 HD1 TYR 124 HD1 TYR 124 -1.898 -10.650 -0.432 6 HD2 TYR 124 HD2 TYR 124 1.556 -8.637 -1.885 7 HE1 TYR 124 HE1 TYR 124 -3.272 -9.543 -2.145 8 HE2 TYR 124 HE2 TYR 124 0.194 -7.524 -3.601 9 HH TYR 124 HH TYR 124 -3.149 -7.425 -3.511 No H/Q in entry = 9 In of MODEL 8 1 H GLY 125 H GLY 125 0.909 -9.463 3.856 2 HA2 GLY 125 HA2 GLY 125 2.171 -10.499 5.543 3 HA3 GLY 125 HA3 GLY 125 3.332 -9.908 4.391 No H/Q in entry = 3 In of MODEL 8 1 H VAL 126 H VAL 126 2.618 -12.169 2.524 2 HA VAL 126 HA VAL 126 3.558 -14.590 3.350 3 HB VAL 126 HB VAL 126 4.809 -14.746 1.187 4 HG11 VAL 126 HG11 VAL 126 2.034 -13.584 1.021 5 HG12 VAL 126 HG12 VAL 126 2.855 -14.438 -0.287 6 HG13 VAL 126 HG13 VAL 126 2.454 -15.286 1.208 7 HG21 VAL 126 HG21 VAL 126 3.974 -11.858 0.889 8 HG22 VAL 126 HG22 VAL 126 5.624 -12.469 1.022 9 HG23 VAL 126 HG23 VAL 126 4.653 -12.859 -0.397 No H/Q in entry = 9 In of MODEL 8 1 H HIS 127 H HIS 127 5.376 -11.594 3.035 2 HA HIS 127 HA HIS 127 7.842 -12.820 3.929 3 HB2 HIS 127 HB2 HIS 127 7.887 -10.956 2.293 4 HB3 HIS 127 HB3 HIS 127 7.166 -9.897 3.497 5 HD1 HIS 127 HD1 HIS 127 8.719 -8.844 5.214 6 HD2 HIS 127 HD2 HIS 127 10.602 -11.690 2.834 7 HE1 HIS 127 HE1 HIS 127 11.175 -8.611 5.693 8 HE2 HIS 127 HE2 HIS 127 12.293 -10.367 4.276 No H/Q in entry = 8 In of MODEL 8 1 H THR 128 H THR 128 7.273 -13.628 5.934 2 HA THR 128 HA THR 128 5.958 -12.220 7.963 3 HB THR 128 HB THR 128 7.181 -13.900 9.483 4 HG1 THR 128 HG1 THR 128 8.706 -15.023 8.553 5 HG21 THR 128 HG21 THR 128 5.494 -14.897 7.185 6 HG22 THR 128 HG22 THR 128 5.777 -15.759 8.698 7 HG23 THR 128 HG23 THR 128 4.893 -14.232 8.704 No H/Q in entry = 7 In of MODEL 8 1 H SER 129 H SER 129 6.697 -11.054 9.721 2 HA SER 129 HA SER 129 9.312 -9.819 9.329 3 HB2 SER 129 HB2 SER 129 7.061 -9.029 11.197 4 HB3 SER 129 HB3 SER 129 8.508 -8.083 10.851 5 HG SER 129 HG SER 129 6.490 -8.818 8.980 No H/Q in entry = 5 In of MODEL 9 1 HA2 GLY -4 HA2 GLY -4 -6.928 18.193 -18.450 2 HA3 GLY -4 HA3 GLY -4 -5.641 18.335 -19.638 3 H1 GLY -4 H1 GLY -4 -7.628 17.386 -20.606 4 H2 GLY -4 H2 GLY -4 -7.609 16.124 -19.480 No H/Q in entry = 4 In of MODEL 9 1 H SER -3 H SER -3 -5.889 17.868 -16.579 2 HA SER -3 HA SER -3 -3.616 16.074 -16.433 3 HB2 SER -3 HB2 SER -3 -5.045 17.626 -14.262 4 HB3 SER -3 HB3 SER -3 -3.521 16.759 -14.072 5 HG SER -3 HG SER -3 -3.139 18.322 -16.117 No H/Q in entry = 5 In of MODEL 9 1 HA PRO -2 HA PRO -2 -6.411 12.702 -15.409 2 HB2 PRO -2 HB2 PRO -2 -4.524 10.765 -15.376 3 HB3 PRO -2 HB3 PRO -2 -5.208 11.405 -16.873 4 HG2 PRO -2 HG2 PRO -2 -2.613 12.053 -15.546 5 HG3 PRO -2 HG3 PRO -2 -2.964 11.817 -17.267 6 HD2 PRO -2 HD2 PRO -2 -2.704 14.272 -16.117 7 HD3 PRO -2 HD3 PRO -2 -3.725 13.964 -17.533 No H/Q in entry = 7 In of MODEL 9 1 H GLU -1 H GLU -1 -7.094 12.751 -13.364 2 HA GLU -1 HA GLU -1 -5.469 13.023 -11.073 3 HB2 GLU -1 HB2 GLU -1 -8.234 11.808 -11.280 4 HB3 GLU -1 HB3 GLU -1 -7.469 12.390 -9.810 5 HG2 GLU -1 HG2 GLU -1 -8.241 14.074 -12.181 6 HG3 GLU -1 HG3 GLU -1 -9.110 13.972 -10.651 No H/Q in entry = 6 In of MODEL 9 1 H PHE 0 H PHE 0 -6.831 10.263 -12.769 2 HA PHE 0 HA PHE 0 -5.425 8.381 -11.062 3 HB2 PHE 0 HB2 PHE 0 -7.724 7.929 -12.020 4 HB3 PHE 0 HB3 PHE 0 -6.970 7.818 -13.605 5 HD1 PHE 0 HD1 PHE 0 -6.458 6.421 -10.180 6 HD2 PHE 0 HD2 PHE 0 -6.534 5.705 -14.371 7 HE1 PHE 0 HE1 PHE 0 -5.998 4.040 -9.775 8 HE2 PHE 0 HE2 PHE 0 -6.076 3.322 -13.978 9 HZ PHE 0 HZ PHE 0 -5.809 2.485 -11.677 No H/Q in entry = 9 In of MODEL 9 1 H HIS 1 H HIS 1 -3.437 9.644 -11.714 2 HA HIS 1 HA HIS 1 -2.346 9.215 -14.334 3 HB2 HIS 1 HB2 HIS 1 -1.823 11.185 -12.861 4 HB3 HIS 1 HB3 HIS 1 -0.935 10.099 -11.804 5 HD1 HIS 1 HD1 HIS 1 -0.748 11.765 -15.157 6 HD2 HIS 1 HD2 HIS 1 1.613 9.408 -12.683 7 HE1 HIS 1 HE1 HIS 1 1.556 11.846 -16.149 8 HE2 HIS 1 HE2 HIS 1 3.004 10.625 -14.493 No H/Q in entry = 8 In of MODEL 9 1 H HIS 2 H HIS 2 -2.449 6.963 -14.574 2 HA HIS 2 HA HIS 2 -1.820 4.790 -14.451 3 HB2 HIS 2 HB2 HIS 2 0.524 5.910 -12.907 4 HB3 HIS 2 HB3 HIS 2 0.356 4.207 -13.312 5 HD1 HIS 2 HD1 HIS 2 1.225 3.497 -15.532 6 HD2 HIS 2 HD2 HIS 2 0.760 7.619 -15.260 7 HE1 HIS 2 HE1 HIS 2 2.241 4.437 -17.639 8 HE2 HIS 2 HE2 HIS 2 1.826 6.920 -17.509 No H/Q in entry = 8 In of MODEL 9 1 H PHE 3 H PHE 3 -0.554 5.719 -11.312 2 HA PHE 3 HA PHE 3 -3.000 4.942 -9.958 3 HB2 PHE 3 HB2 PHE 3 -0.323 3.613 -9.456 4 HB3 PHE 3 HB3 PHE 3 -1.617 3.617 -8.265 5 HD1 PHE 3 HD1 PHE 3 -3.838 2.559 -8.918 6 HD2 PHE 3 HD2 PHE 3 -0.251 2.012 -11.140 7 HE1 PHE 3 HE1 PHE 3 -4.797 0.551 -9.964 8 HE2 PHE 3 HE2 PHE 3 -1.204 0.002 -12.191 9 HZ PHE 3 HZ PHE 3 -3.490 -0.736 -11.583 No H/Q in entry = 9 In of MODEL 9 1 H THR 4 H THR 4 -3.294 6.219 -8.148 2 HA THR 4 HA THR 4 -1.074 7.937 -7.321 3 HB THR 4 HB THR 4 -2.691 9.883 -7.289 4 HG1 THR 4 HG1 THR 4 -4.417 9.514 -8.996 5 HG21 THR 4 HG21 THR 4 -1.998 8.690 -9.977 6 HG22 THR 4 HG22 THR 4 -2.454 10.371 -9.696 7 HG23 THR 4 HG23 THR 4 -0.967 9.733 -8.996 No H/Q in entry = 7 In of MODEL 9 1 H LEU 5 H LEU 5 -1.398 8.932 -5.268 2 HA LEU 5 HA LEU 5 -2.593 7.155 -3.405 3 HB2 LEU 5 HB2 LEU 5 -1.455 9.911 -2.951 4 HB3 LEU 5 HB3 LEU 5 -1.807 8.727 -1.707 5 HG LEU 5 HG LEU 5 0.292 8.465 -3.860 6 HD11 LEU 5 HD11 LEU 5 0.837 10.087 -2.107 7 HD12 LEU 5 HD12 LEU 5 0.542 8.852 -0.883 8 HD13 LEU 5 HD13 LEU 5 1.867 8.658 -2.028 9 HD21 LEU 5 HD21 LEU 5 -0.431 6.611 -1.591 10 HD22 LEU 5 HD22 LEU 5 -0.660 6.295 -3.311 11 HD23 LEU 5 HD23 LEU 5 0.968 6.439 -2.652 No H/Q in entry = 11 In of MODEL 9 1 H GLU 6 H GLU 6 -3.600 10.234 -4.799 2 HA GLU 6 HA GLU 6 -5.872 10.636 -3.179 3 HB2 GLU 6 HB2 GLU 6 -5.500 11.225 -6.128 4 HB3 GLU 6 HB3 GLU 6 -6.807 11.854 -5.131 5 HG2 GLU 6 HG2 GLU 6 -5.152 13.011 -3.731 6 HG3 GLU 6 HG3 GLU 6 -3.871 12.420 -4.791 No H/Q in entry = 6 In of MODEL 9 1 H SER 7 H SER 7 -5.428 8.663 -6.167 2 HA SER 7 HA SER 7 -8.011 7.769 -6.416 3 HB2 SER 7 HB2 SER 7 -6.211 7.307 -8.037 4 HB3 SER 7 HB3 SER 7 -5.495 6.161 -6.906 5 HG SER 7 HG SER 7 -7.293 4.852 -7.120 No H/Q in entry = 5 In of MODEL 9 1 H SER 8 H SER 8 -5.813 7.015 -3.859 2 HA SER 8 HA SER 8 -7.352 4.652 -3.140 3 HB2 SER 8 HB2 SER 8 -4.760 5.645 -1.986 4 HB3 SER 8 HB3 SER 8 -5.594 4.145 -1.536 5 HG SER 8 HG SER 8 -5.184 4.449 -4.250 No H/Q in entry = 5 In of MODEL 9 1 H LEU 9 H LEU 9 -7.131 7.965 -2.159 2 HA LEU 9 HA LEU 9 -6.962 7.721 0.564 3 HB2 LEU 9 HB2 LEU 9 -8.253 9.866 -1.067 4 HB3 LEU 9 HB3 LEU 9 -7.865 10.011 0.640 5 HG LEU 9 HG LEU 9 -5.816 9.406 -1.475 6 HD11 LEU 9 HD11 LEU 9 -6.895 11.541 -1.874 7 HD12 LEU 9 HD12 LEU 9 -6.507 12.047 -0.232 8 HD13 LEU 9 HD13 LEU 9 -5.211 11.727 -1.384 9 HD21 LEU 9 HD21 LEU 9 -5.624 10.239 1.414 10 HD22 LEU 9 HD22 LEU 9 -5.110 8.706 0.710 11 HD23 LEU 9 HD23 LEU 9 -4.256 10.201 0.305 No H/Q in entry = 11 In of MODEL 9 1 H ASP 10 H ASP 10 -9.874 7.600 -1.299 2 HA ASP 10 HA ASP 10 -11.471 7.334 1.139 3 HB2 ASP 10 HB2 ASP 10 -12.322 7.501 -1.761 4 HB3 ASP 10 HB3 ASP 10 -13.415 7.449 -0.384 No H/Q in entry = 4 In of MODEL 9 1 H THR 11 H THR 11 -9.686 5.346 -0.698 2 HA THR 11 HA THR 11 -11.514 3.107 -0.207 3 HB THR 11 HB THR 11 -10.488 1.966 -2.196 4 HG1 THR 11 HG1 THR 11 -9.704 3.987 -3.640 5 HG21 THR 11 HG21 THR 11 -11.957 4.553 -2.710 6 HG22 THR 11 HG22 THR 11 -11.789 3.234 -3.867 7 HG23 THR 11 HG23 THR 11 -12.686 2.984 -2.370 No H/Q in entry = 7 In of MODEL 9 1 H HIS 12 H HIS 12 -8.360 2.684 -1.572 2 HA HIS 12 HA HIS 12 -7.650 0.758 0.315 3 HB2 HIS 12 HB2 HIS 12 -5.661 2.226 -1.396 4 HB3 HIS 12 HB3 HIS 12 -5.552 0.581 -0.788 5 HD1 HIS 12 HD1 HIS 12 -7.956 -0.809 -1.682 6 HD2 HIS 12 HD2 HIS 12 -6.201 2.138 -4.028 7 HE1 HIS 12 HE1 HIS 12 -8.785 -1.219 -4.020 8 HE2 HIS 12 HE2 HIS 12 -7.591 0.478 -5.447 No H/Q in entry = 8 In of MODEL 9 1 H LEU 13 H LEU 13 -6.931 4.207 0.241 2 HA LEU 13 HA LEU 13 -5.130 3.805 2.538 3 HB2 LEU 13 HB2 LEU 13 -5.098 5.700 0.269 4 HB3 LEU 13 HB3 LEU 13 -4.555 6.304 1.821 5 HG LEU 13 HG LEU 13 -2.633 5.565 0.594 6 HD11 LEU 13 HD11 LEU 13 -2.740 5.057 3.030 7 HD12 LEU 13 HD12 LEU 13 -3.244 3.421 2.614 8 HD13 LEU 13 HD13 LEU 13 -1.660 4.006 2.115 9 HD21 LEU 13 HD21 LEU 13 -4.070 2.936 0.273 10 HD22 LEU 13 HD22 LEU 13 -3.635 4.074 -1.002 11 HD23 LEU 13 HD23 LEU 13 -2.373 3.212 -0.123 No H/Q in entry = 11 In of MODEL 9 1 H LYS 14 H LYS 14 -8.034 4.010 2.515 2 HA LYS 14 HA LYS 14 -8.945 6.527 3.402 3 HB2 LYS 14 HB2 LYS 14 -10.988 5.403 3.945 4 HB3 LYS 14 HB3 LYS 14 -10.361 4.683 2.474 5 HG2 LYS 14 HG2 LYS 14 -9.390 2.857 3.901 6 HG3 LYS 14 HG3 LYS 14 -10.290 3.540 5.255 7 HD2 LYS 14 HD2 LYS 14 -11.426 2.417 2.696 8 HD3 LYS 14 HD3 LYS 14 -11.544 1.713 4.308 9 HE2 LYS 14 HE2 LYS 14 -12.769 3.815 4.994 10 HE3 LYS 14 HE3 LYS 14 -12.831 4.229 3.278 11 HZ1 LYS 14 HZ1 LYS 14 -13.994 2.123 2.885 12 HZ2 LYS 14 HZ2 LYS 14 -14.002 1.811 4.547 13 HZ3 LYS 14 HZ3 LYS 14 -14.853 3.135 3.929 No H/Q in entry = 13 In of MODEL 9 1 H TRP 15 H TRP 15 -7.264 4.018 5.010 2 HA TRP 15 HA TRP 15 -8.245 4.550 7.645 3 HB2 TRP 15 HB2 TRP 15 -6.377 3.016 8.335 4 HB3 TRP 15 HB3 TRP 15 -7.499 2.325 7.165 5 HD1 TRP 15 HD1 TRP 15 -6.600 1.970 4.666 6 HE1 TRP 15 HE1 TRP 15 -4.220 1.759 3.719 7 HE3 TRP 15 HE3 TRP 15 -3.981 3.810 8.648 8 HZ2 TRP 15 HZ2 TRP 15 -1.575 2.285 4.557 9 HZ3 TRP 15 HZ3 TRP 15 -1.528 3.917 8.497 10 HH2 TRP 15 HH2 TRP 15 -0.350 3.170 6.493 No H/Q in entry = 10 In of MODEL 9 1 H LEU 16 H LEU 16 -6.129 6.182 5.627 2 HA LEU 16 HA LEU 16 -4.303 7.153 7.628 3 HB2 LEU 16 HB2 LEU 16 -5.037 8.316 4.931 4 HB3 LEU 16 HB3 LEU 16 -3.704 8.847 5.933 5 HG LEU 16 HG LEU 16 -3.906 6.090 4.711 6 HD11 LEU 16 HD11 LEU 16 -2.382 8.526 3.799 7 HD12 LEU 16 HD12 LEU 16 -2.207 6.903 3.132 8 HD13 LEU 16 HD13 LEU 16 -3.738 7.765 2.970 9 HD21 LEU 16 HD21 LEU 16 -1.636 7.539 6.078 10 HD22 LEU 16 HD22 LEU 16 -2.492 6.120 6.678 11 HD23 LEU 16 HD23 LEU 16 -1.490 6.000 5.227 No H/Q in entry = 11 In of MODEL 9 1 H SER 17 H SER 17 -4.411 9.034 8.732 2 HA SER 17 HA SER 17 -7.014 10.246 9.038 3 HB2 SER 17 HB2 SER 17 -5.808 11.625 10.781 4 HB3 SER 17 HB3 SER 17 -5.758 9.883 11.059 5 HG SER 17 HG SER 17 -3.700 10.803 11.332 No H/Q in entry = 5 In of MODEL 9 1 H GLN 18 H GLN 18 -7.226 12.671 8.927 2 HA GLN 18 HA GLN 18 -6.599 13.515 6.366 3 HB2 GLN 18 HB2 GLN 18 -7.353 15.105 8.815 4 HB3 GLN 18 HB3 GLN 18 -7.145 15.851 7.237 5 HG2 GLN 18 HG2 GLN 18 -9.091 13.639 7.844 6 HG3 GLN 18 HG3 GLN 18 -9.494 15.355 7.787 7 HE21 GLN 18 HE21 GLN 18 -10.475 13.121 6.172 8 HE22 GLN 18 HE22 GLN 18 -10.152 13.548 4.528 No H/Q in entry = 8 In of MODEL 9 1 H GLU 19 H GLU 19 -4.934 14.345 9.384 2 HA GLU 19 HA GLU 19 -3.068 16.070 8.275 3 HB2 GLU 19 HB2 GLU 19 -2.902 14.246 10.673 4 HB3 GLU 19 HB3 GLU 19 -1.765 15.519 10.314 5 HG2 GLU 19 HG2 GLU 19 -4.688 15.885 10.863 6 HG3 GLU 19 HG3 GLU 19 -3.368 16.248 11.973 No H/Q in entry = 6 In of MODEL 9 1 H GLN 20 H GLN 20 -3.018 12.518 8.510 2 HA GLN 20 HA GLN 20 -0.321 12.329 7.552 3 HB2 GLN 20 HB2 GLN 20 -2.503 10.232 7.659 4 HB3 GLN 20 HB3 GLN 20 -0.820 9.910 7.270 5 HG2 GLN 20 HG2 GLN 20 -0.182 10.731 9.504 6 HG3 GLN 20 HG3 GLN 20 -1.889 10.947 9.884 7 HE21 GLN 20 HE21 GLN 20 -2.558 8.511 8.308 8 HE22 GLN 20 HE22 GLN 20 -2.139 7.189 9.333 No H/Q in entry = 8 In of MODEL 9 1 H LYS 21 H LYS 21 -3.541 12.018 6.005 2 HA LYS 21 HA LYS 21 -2.386 11.241 3.516 3 HB2 LYS 21 HB2 LYS 21 -4.606 11.583 2.547 4 HB3 LYS 21 HB3 LYS 21 -4.676 10.625 4.014 5 HG2 LYS 21 HG2 LYS 21 -5.123 13.100 5.003 6 HG3 LYS 21 HG3 LYS 21 -5.846 13.242 3.399 7 HD2 LYS 21 HD2 LYS 21 -6.483 11.142 5.478 8 HD3 LYS 21 HD3 LYS 21 -7.507 12.499 5.015 9 HE2 LYS 21 HE2 LYS 21 -6.653 10.303 3.137 10 HE3 LYS 21 HE3 LYS 21 -8.175 10.314 4.020 11 HZ1 LYS 21 HZ1 LYS 21 -8.711 12.428 2.916 12 HZ2 LYS 21 HZ2 LYS 21 -7.298 12.308 2.001 13 HZ3 LYS 21 HZ3 LYS 21 -8.522 11.159 1.820 No H/Q in entry = 13 In of MODEL 9 1 H ASP 22 H ASP 22 -3.406 14.304 4.875 2 HA ASP 22 HA ASP 22 -2.767 15.939 2.652 3 HB2 ASP 22 HB2 ASP 22 -4.090 16.641 4.675 4 HB3 ASP 22 HB3 ASP 22 -2.584 16.679 5.577 No H/Q in entry = 4 In of MODEL 9 1 H GLU 23 H GLU 23 -0.759 14.558 5.257 2 HA GLU 23 HA GLU 23 1.631 15.857 4.611 3 HB2 GLU 23 HB2 GLU 23 0.927 13.991 6.436 4 HB3 GLU 23 HB3 GLU 23 1.786 12.983 5.270 5 HG2 GLU 23 HG2 GLU 23 3.676 14.516 5.383 6 HG3 GLU 23 HG3 GLU 23 2.806 15.457 6.584 No H/Q in entry = 6 In of MODEL 9 1 H LEU 24 H LEU 24 0.359 12.751 3.343 2 HA LEU 24 HA LEU 24 2.484 12.311 1.574 3 HB2 LEU 24 HB2 LEU 24 -0.294 11.271 1.920 4 HB3 LEU 24 HB3 LEU 24 0.623 10.821 0.497 5 HG LEU 24 HG LEU 24 2.262 9.716 1.812 6 HD11 LEU 24 HD11 LEU 24 2.297 11.366 3.675 7 HD12 LEU 24 HD12 LEU 24 0.907 10.507 4.341 8 HD13 LEU 24 HD13 LEU 24 2.449 9.666 4.128 9 HD21 LEU 24 HD21 LEU 24 -0.484 9.086 2.823 10 HD22 LEU 24 HD22 LEU 24 0.277 8.434 1.374 11 HD23 LEU 24 HD23 LEU 24 0.916 8.023 2.966 No H/Q in entry = 11 In of MODEL 9 1 H LEU 25 H LEU 25 -0.646 13.929 1.173 2 HA LEU 25 HA LEU 25 -0.540 14.277 -1.612 3 HB2 LEU 25 HB2 LEU 25 -1.851 15.915 0.549 4 HB3 LEU 25 HB3 LEU 25 -2.064 16.234 -1.160 5 HG LEU 25 HG LEU 25 -2.864 13.704 0.271 6 HD11 LEU 25 HD11 LEU 25 -4.488 15.975 -0.861 7 HD12 LEU 25 HD12 LEU 25 -5.149 14.458 -0.259 8 HD13 LEU 25 HD13 LEU 25 -4.310 15.550 0.842 9 HD21 LEU 25 HD21 LEU 25 -3.149 14.536 -2.615 10 HD22 LEU 25 HD22 LEU 25 -2.199 13.190 -1.984 11 HD23 LEU 25 HD23 LEU 25 -3.956 13.151 -1.884 No H/Q in entry = 11 In of MODEL 9 1 H LYS 26 H LYS 26 0.643 16.261 1.037 2 HA LYS 26 HA LYS 26 1.616 18.390 -0.581 3 HB2 LYS 26 HB2 LYS 26 1.136 18.545 1.875 4 HB3 LYS 26 HB3 LYS 26 2.560 17.561 2.170 5 HG2 LYS 26 HG2 LYS 26 2.841 20.072 0.588 6 HG3 LYS 26 HG3 LYS 26 2.668 20.168 2.340 7 HD2 LYS 26 HD2 LYS 26 4.618 18.804 2.662 8 HD3 LYS 26 HD3 LYS 26 4.737 18.486 0.931 9 HE2 LYS 26 HE2 LYS 26 5.250 20.795 0.491 10 HE3 LYS 26 HE3 LYS 26 4.962 21.224 2.176 11 HZ1 LYS 26 HZ1 LYS 26 7.088 19.366 1.265 12 HZ2 LYS 26 HZ2 LYS 26 7.336 21.002 1.607 13 HZ3 LYS 26 HZ3 LYS 26 6.855 19.947 2.836 No H/Q in entry = 13 In of MODEL 9 1 H MET 27 H MET 27 3.117 15.480 0.787 2 HA MET 27 HA MET 27 5.656 15.860 -0.170 3 HB2 MET 27 HB2 MET 27 4.117 13.268 0.052 4 HB3 MET 27 HB3 MET 27 5.851 13.361 -0.216 5 HG2 MET 27 HG2 MET 27 6.124 14.500 1.920 6 HG3 MET 27 HG3 MET 27 4.384 14.425 2.183 7 HE1 MET 27 HE1 MET 27 7.654 12.350 1.695 8 HE2 MET 27 HE2 MET 27 7.099 10.700 1.978 9 HE3 MET 27 HE3 MET 27 6.571 11.575 0.540 No H/Q in entry = 9 In of MODEL 9 1 H LYS 28 H LYS 28 3.029 14.097 -1.868 2 HA LYS 28 HA LYS 28 4.427 13.609 -4.246 3 HB2 LYS 28 HB2 LYS 28 2.303 12.523 -3.612 4 HB3 LYS 28 HB3 LYS 28 1.462 14.046 -3.854 5 HG2 LYS 28 HG2 LYS 28 2.058 13.999 -6.227 6 HG3 LYS 28 HG3 LYS 28 2.907 12.473 -5.982 7 HD2 LYS 28 HD2 LYS 28 0.749 11.973 -6.884 8 HD3 LYS 28 HD3 LYS 28 0.751 11.488 -5.188 9 HE2 LYS 28 HE2 LYS 28 -1.320 12.589 -5.621 10 HE3 LYS 28 HE3 LYS 28 -0.337 13.676 -4.646 11 HZ1 LYS 28 HZ1 LYS 28 0.284 14.832 -6.717 12 HZ2 LYS 28 HZ2 LYS 28 -0.786 13.840 -7.576 13 HZ3 LYS 28 HZ3 LYS 28 -1.373 14.905 -6.399 No H/Q in entry = 13 In of MODEL 9 1 H LYS 29 H LYS 29 2.416 16.324 -3.252 2 HA LYS 29 HA LYS 29 2.419 17.719 -5.677 3 HB2 LYS 29 HB2 LYS 29 0.913 18.145 -3.727 4 HB3 LYS 29 HB3 LYS 29 2.265 18.912 -2.908 5 HG2 LYS 29 HG2 LYS 29 0.847 20.593 -3.866 6 HG3 LYS 29 HG3 LYS 29 2.386 20.573 -4.729 7 HD2 LYS 29 HD2 LYS 29 1.388 19.307 -6.540 8 HD3 LYS 29 HD3 LYS 29 -0.138 19.201 -5.658 9 HE2 LYS 29 HE2 LYS 29 1.162 21.739 -6.640 10 HE3 LYS 29 HE3 LYS 29 -0.212 20.929 -7.389 11 HZ1 LYS 29 HZ1 LYS 29 -1.483 21.300 -5.367 12 HZ2 LYS 29 HZ2 LYS 29 -0.164 22.084 -4.654 13 HZ3 LYS 29 HZ3 LYS 29 -0.924 22.765 -5.998 No H/Q in entry = 13 In of MODEL 9 1 H ASP 30 H ASP 30 4.628 17.961 -2.900 2 HA ASP 30 HA ASP 30 5.996 20.198 -4.065 3 HB2 ASP 30 HB2 ASP 30 5.761 19.997 -1.627 4 HB3 ASP 30 HB3 ASP 30 6.714 18.517 -1.647 No H/Q in entry = 4 In of MODEL 9 1 H GLY 31 H GLY 31 6.126 16.959 -4.660 2 HA2 GLY 31 HA2 GLY 31 8.629 17.362 -6.104 3 HA3 GLY 31 HA3 GLY 31 7.415 16.147 -6.459 No H/Q in entry = 3 In of MODEL 9 1 H LYS 32 H LYS 32 7.424 15.525 -3.442 2 HA LYS 32 HA LYS 32 9.922 14.247 -3.015 3 HB2 LYS 32 HB2 LYS 32 7.223 13.567 -1.819 4 HB3 LYS 32 HB3 LYS 32 8.784 13.025 -1.220 5 HG2 LYS 32 HG2 LYS 32 7.761 15.859 -1.264 6 HG3 LYS 32 HG3 LYS 32 7.947 14.825 0.153 7 HD2 LYS 32 HD2 LYS 32 10.233 15.666 -1.625 8 HD3 LYS 32 HD3 LYS 32 9.758 16.530 -0.164 9 HE2 LYS 32 HE2 LYS 32 10.522 13.617 -0.213 10 HE3 LYS 32 HE3 LYS 32 11.660 14.920 0.119 11 HZ1 LYS 32 HZ1 LYS 32 10.285 15.563 2.011 12 HZ2 LYS 32 HZ2 LYS 32 9.235 14.275 1.709 13 HZ3 LYS 32 HZ3 LYS 32 10.837 13.974 2.161 No H/Q in entry = 13 In of MODEL 9 1 H ALA 33 H ALA 33 10.395 12.055 -3.279 2 HA ALA 33 HA ALA 33 9.420 11.039 -5.771 3 HB1 ALA 33 HB1 ALA 33 11.782 10.852 -5.061 4 HB2 ALA 33 HB2 ALA 33 11.075 9.308 -5.534 5 HB3 ALA 33 HB3 ALA 33 11.290 9.693 -3.828 No H/Q in entry = 5 In of MODEL 9 1 H LYS 34 H LYS 34 8.492 8.939 -6.153 2 HA LYS 34 HA LYS 34 6.298 8.328 -4.526 3 HB2 LYS 34 HB2 LYS 34 7.709 6.571 -6.535 4 HB3 LYS 34 HB3 LYS 34 6.142 6.217 -5.825 5 HG2 LYS 34 HG2 LYS 34 5.200 8.201 -6.850 6 HG3 LYS 34 HG3 LYS 34 6.779 8.618 -7.519 7 HD2 LYS 34 HD2 LYS 34 6.781 6.505 -8.775 8 HD3 LYS 34 HD3 LYS 34 5.176 6.141 -8.142 9 HE2 LYS 34 HE2 LYS 34 4.276 8.112 -9.238 10 HE3 LYS 34 HE3 LYS 34 5.885 8.544 -9.817 11 HZ1 LYS 34 HZ1 LYS 34 4.400 6.081 -10.547 12 HZ2 LYS 34 HZ2 LYS 34 4.582 7.444 -11.527 13 HZ3 LYS 34 HZ3 LYS 34 5.934 6.516 -11.114 No H/Q in entry = 13 In of MODEL 9 1 H LYS 35 H LYS 35 9.538 6.932 -4.637 2 HA LYS 35 HA LYS 35 9.084 4.842 -2.821 3 HB2 LYS 35 HB2 LYS 35 11.450 6.228 -3.914 4 HB3 LYS 35 HB3 LYS 35 11.696 5.403 -2.381 5 HG2 LYS 35 HG2 LYS 35 12.253 4.023 -4.357 6 HG3 LYS 35 HG3 LYS 35 11.013 3.308 -3.325 7 HD2 LYS 35 HD2 LYS 35 9.281 4.105 -4.863 8 HD3 LYS 35 HD3 LYS 35 10.522 4.822 -5.889 9 HE2 LYS 35 HE2 LYS 35 9.728 2.652 -6.743 10 HE3 LYS 35 HE3 LYS 35 11.448 2.643 -6.362 11 HZ1 LYS 35 HZ1 LYS 35 9.387 1.654 -4.466 12 HZ2 LYS 35 HZ2 LYS 35 10.141 0.652 -5.608 13 HZ3 LYS 35 HZ3 LYS 35 11.061 1.411 -4.410 No H/Q in entry = 13 In of MODEL 9 1 H GLU 36 H GLU 36 9.113 8.205 -2.239 2 HA GLU 36 HA GLU 36 9.825 7.896 0.564 3 HB2 GLU 36 HB2 GLU 36 8.932 10.375 -0.905 4 HB3 GLU 36 HB3 GLU 36 9.647 10.302 0.701 5 HG2 GLU 36 HG2 GLU 36 11.675 9.300 -0.355 6 HG3 GLU 36 HG3 GLU 36 10.955 9.661 -1.912 No H/Q in entry = 6 In of MODEL 9 1 H LEU 37 H LEU 37 7.138 8.273 -1.511 2 HA LEU 37 HA LEU 37 5.156 8.587 0.540 3 HB2 LEU 37 HB2 LEU 37 4.873 7.652 -2.317 4 HB3 LEU 37 HB3 LEU 37 3.565 8.167 -1.270 5 HG LEU 37 HG LEU 37 5.836 9.992 -2.035 6 HD11 LEU 37 HD11 LEU 37 4.686 9.227 -4.051 7 HD12 LEU 37 HD12 LEU 37 3.147 9.741 -3.364 8 HD13 LEU 37 HD13 LEU 37 4.393 10.934 -3.731 9 HD21 LEU 37 HD21 LEU 37 3.074 10.482 -0.930 10 HD22 LEU 37 HD22 LEU 37 4.598 10.656 -0.061 11 HD23 LEU 37 HD23 LEU 37 4.222 11.736 -1.403 No H/Q in entry = 11 In of MODEL 9 1 H GLU 38 H GLU 38 6.374 5.960 -1.444 2 HA GLU 38 HA GLU 38 5.002 3.780 -0.396 3 HB2 GLU 38 HB2 GLU 38 6.503 3.671 -2.339 4 HB3 GLU 38 HB3 GLU 38 7.882 4.015 -1.310 5 HG2 GLU 38 HG2 GLU 38 7.135 1.848 -0.071 6 HG3 GLU 38 HG3 GLU 38 6.308 1.507 -1.591 No H/Q in entry = 6 In of MODEL 9 1 H ALA 39 H ALA 39 7.380 5.814 0.975 2 HA ALA 39 HA ALA 39 8.185 3.907 3.010 3 HB1 ALA 39 HB1 ALA 39 9.103 6.742 2.619 4 HB2 ALA 39 HB2 ALA 39 9.858 5.498 3.612 5 HB3 ALA 39 HB3 ALA 39 9.839 5.333 1.858 No H/Q in entry = 5 In of MODEL 9 1 H LYS 40 H LYS 40 6.386 6.952 2.808 2 HA LYS 40 HA LYS 40 6.210 7.287 5.616 3 HB2 LYS 40 HB2 LYS 40 5.930 9.032 3.743 4 HB3 LYS 40 HB3 LYS 40 4.292 8.414 3.588 5 HG2 LYS 40 HG2 LYS 40 4.308 10.378 4.972 6 HG3 LYS 40 HG3 LYS 40 3.867 8.968 5.932 7 HD2 LYS 40 HD2 LYS 40 5.369 10.286 7.230 8 HD3 LYS 40 HD3 LYS 40 6.247 8.856 6.706 9 HE2 LYS 40 HE2 LYS 40 6.399 11.337 5.056 10 HE3 LYS 40 HE3 LYS 40 7.324 11.251 6.552 11 HZ1 LYS 40 HZ1 LYS 40 8.379 9.229 5.729 12 HZ2 LYS 40 HZ2 LYS 40 7.518 9.347 4.281 13 HZ3 LYS 40 HZ3 LYS 40 8.654 10.529 4.688 No H/Q in entry = 13 In of MODEL 9 1 H ILE 41 H ILE 41 4.063 5.930 3.121 2 HA ILE 41 HA ILE 41 1.932 5.268 4.811 3 HB ILE 41 HB ILE 41 2.849 3.981 2.243 4 HG12 ILE 41 HG12 ILE 41 0.678 6.005 2.808 5 HG13 ILE 41 HG13 ILE 41 2.259 6.384 2.131 6 HG21 ILE 41 HG21 ILE 41 0.225 3.705 3.703 7 HG22 ILE 41 HG22 ILE 41 0.576 3.072 2.094 8 HG23 ILE 41 HG23 ILE 41 1.440 2.445 3.497 9 HD11 ILE 41 HD11 ILE 41 1.749 4.999 0.197 10 HD12 ILE 41 HD12 ILE 41 0.156 4.651 0.877 11 HD13 ILE 41 HD13 ILE 41 0.575 6.299 0.412 No H/Q in entry = 11 In of MODEL 9 1 H LEU 42 H LEU 42 4.773 3.371 3.801 2 HA LEU 42 HA LEU 42 4.015 1.011 5.139 3 HB2 LEU 42 HB2 LEU 42 6.715 2.040 4.309 4 HB3 LEU 42 HB3 LEU 42 6.490 0.476 5.059 5 HG LEU 42 HG LEU 42 5.521 1.394 2.367 6 HD11 LEU 42 HD11 LEU 42 7.817 0.620 2.481 7 HD12 LEU 42 HD12 LEU 42 7.287 -0.876 3.248 8 HD13 LEU 42 HD13 LEU 42 6.817 -0.525 1.587 9 HD21 LEU 42 HD21 LEU 42 4.724 -1.056 3.927 10 HD22 LEU 42 HD22 LEU 42 3.668 0.184 3.252 11 HD23 LEU 42 HD23 LEU 42 4.541 -0.916 2.178 No H/Q in entry = 11 In of MODEL 9 1 H HIS 43 H HIS 43 5.753 3.867 6.200 2 HA HIS 43 HA HIS 43 6.462 2.898 8.760 3 HB2 HIS 43 HB2 HIS 43 7.342 5.010 7.702 4 HB3 HIS 43 HB3 HIS 43 5.784 5.760 8.034 5 HD1 HIS 43 HD1 HIS 43 9.063 5.259 9.478 6 HD2 HIS 43 HD2 HIS 43 5.214 5.818 10.950 7 HE1 HIS 43 HE1 HIS 43 9.350 5.981 11.866 8 HE2 HIS 43 HE2 HIS 43 7.013 6.391 12.718 No H/Q in entry = 8 In of MODEL 9 1 H TYR 44 H TYR 44 3.594 4.766 7.648 2 HA TYR 44 HA TYR 44 2.207 4.819 10.075 3 HB2 TYR 44 HB2 TYR 44 1.093 4.591 7.268 4 HB3 TYR 44 HB3 TYR 44 0.154 5.019 8.693 5 HD1 TYR 44 HD1 TYR 44 2.137 6.809 10.019 6 HD2 TYR 44 HD2 TYR 44 0.884 6.541 5.971 7 HE1 TYR 44 HE1 TYR 44 2.699 9.160 9.704 8 HE2 TYR 44 HE2 TYR 44 1.448 8.912 5.620 9 HH TYR 44 HH TYR 44 1.735 10.940 6.948 No H/Q in entry = 9 In of MODEL 9 1 H TYR 45 H TYR 45 2.221 2.489 7.471 2 HA TYR 45 HA TYR 45 0.263 0.730 8.326 3 HB2 TYR 45 HB2 TYR 45 1.143 0.753 6.074 4 HB3 TYR 45 HB3 TYR 45 2.743 0.321 6.656 5 HD1 TYR 45 HD1 TYR 45 -0.743 -0.991 6.661 6 HD2 TYR 45 HD2 TYR 45 3.417 -1.827 6.537 7 HE1 TYR 45 HE1 TYR 45 -1.239 -3.370 6.305 8 HE2 TYR 45 HE2 TYR 45 2.945 -4.199 6.179 9 HH TYR 45 HH TYR 45 -0.099 -5.361 5.318 No H/Q in entry = 9 In of MODEL 9 1 H ASP 46 H ASP 46 3.760 0.705 8.971 2 HA ASP 46 HA ASP 46 3.602 -1.805 10.346 3 HB2 ASP 46 HB2 ASP 46 5.657 -1.133 9.137 4 HB3 ASP 46 HB3 ASP 46 5.866 0.210 10.255 No H/Q in entry = 4 In of MODEL 9 1 H GLU 47 H GLU 47 3.118 1.460 11.264 2 HA GLU 47 HA GLU 47 3.568 0.944 14.076 3 HB2 GLU 47 HB2 GLU 47 2.444 3.328 12.600 4 HB3 GLU 47 HB3 GLU 47 2.674 3.262 14.344 5 HG2 GLU 47 HG2 GLU 47 4.833 3.023 12.265 6 HG3 GLU 47 HG3 GLU 47 4.491 4.439 13.252 No H/Q in entry = 6 In of MODEL 9 1 H LEU 48 H LEU 48 1.194 0.156 11.925 2 HA LEU 48 HA LEU 48 -1.077 0.632 13.589 3 HB2 LEU 48 HB2 LEU 48 -0.667 -0.887 11.032 4 HB3 LEU 48 HB3 LEU 48 -2.198 -0.863 11.882 5 HG LEU 48 HG LEU 48 -0.804 1.572 10.776 6 HD11 LEU 48 HD11 LEU 48 -1.583 0.047 9.047 7 HD12 LEU 48 HD12 LEU 48 -3.176 0.007 9.803 8 HD13 LEU 48 HD13 LEU 48 -2.570 1.508 9.100 9 HD21 LEU 48 HD21 LEU 48 -3.537 1.175 11.985 10 HD22 LEU 48 HD22 LEU 48 -2.204 2.085 12.699 11 HD23 LEU 48 HD23 LEU 48 -2.967 2.655 11.213 No H/Q in entry = 11 In of MODEL 9 1 H GLU 49 H GLU 49 -2.290 -0.886 14.509 2 HA GLU 49 HA GLU 49 -1.215 -3.592 14.839 3 HB2 GLU 49 HB2 GLU 49 -1.545 -3.385 17.320 4 HB3 GLU 49 HB3 GLU 49 -0.223 -2.433 16.659 5 HG2 GLU 49 HG2 GLU 49 -1.867 -0.504 16.577 6 HG3 GLU 49 HG3 GLU 49 -2.904 -1.492 17.600 No H/Q in entry = 6 In of MODEL 9 1 H GLY 50 H GLY 50 -2.683 -5.103 15.824 2 HA2 GLY 50 HA2 GLY 50 -5.301 -4.545 16.616 3 HA3 GLY 50 HA3 GLY 50 -4.710 -6.117 16.111 No H/Q in entry = 3 In of MODEL 9 1 H ASP 51 H ASP 51 -7.222 -4.457 15.651 2 HA ASP 51 HA ASP 51 -7.896 -5.475 13.124 3 HB2 ASP 51 HB2 ASP 51 -9.143 -3.340 14.851 4 HB3 ASP 51 HB3 ASP 51 -9.829 -3.795 13.295 No H/Q in entry = 4 In of MODEL 9 1 H ALA 52 H ALA 52 -6.616 -2.311 14.069 2 HA ALA 52 HA ALA 52 -7.243 -0.988 11.658 3 HB1 ALA 52 HB1 ALA 52 -4.896 -0.441 13.463 4 HB2 ALA 52 HB2 ALA 52 -5.603 0.654 12.274 5 HB3 ALA 52 HB3 ALA 52 -6.529 0.183 13.696 No H/Q in entry = 5 In of MODEL 9 1 H LYS 53 H LYS 53 -4.339 -2.698 12.704 2 HA LYS 53 HA LYS 53 -2.810 -2.334 10.391 3 HB2 LYS 53 HB2 LYS 53 -2.245 -3.380 12.759 4 HB3 LYS 53 HB3 LYS 53 -2.628 -4.887 11.943 5 HG2 LYS 53 HG2 LYS 53 -0.628 -2.958 10.815 6 HG3 LYS 53 HG3 LYS 53 -0.184 -4.147 12.034 7 HD2 LYS 53 HD2 LYS 53 -0.914 -5.946 10.553 8 HD3 LYS 53 HD3 LYS 53 -1.398 -4.758 9.340 9 HE2 LYS 53 HE2 LYS 53 0.878 -4.024 9.073 10 HE3 LYS 53 HE3 LYS 53 1.409 -5.047 10.400 11 HZ1 LYS 53 HZ1 LYS 53 0.685 -6.981 9.058 12 HZ2 LYS 53 HZ2 LYS 53 0.388 -5.936 7.761 13 HZ3 LYS 53 HZ3 LYS 53 1.958 -6.112 8.366 No H/Q in entry = 13 In of MODEL 9 1 H LYS 54 H LYS 54 -4.842 -5.092 11.360 2 HA LYS 54 HA LYS 54 -4.632 -6.597 9.042 3 HB2 LYS 54 HB2 LYS 54 -6.002 -7.952 10.139 4 HB3 LYS 54 HB3 LYS 54 -6.109 -6.734 11.399 5 HG2 LYS 54 HG2 LYS 54 -8.142 -5.936 10.636 6 HG3 LYS 54 HG3 LYS 54 -7.915 -6.614 9.022 7 HD2 LYS 54 HD2 LYS 54 -8.077 -8.869 9.993 8 HD3 LYS 54 HD3 LYS 54 -8.425 -8.139 11.562 9 HE2 LYS 54 HE2 LYS 54 -10.494 -8.807 10.497 10 HE3 LYS 54 HE3 LYS 54 -10.409 -7.050 10.595 11 HZ1 LYS 54 HZ1 LYS 54 -9.737 -8.632 8.176 12 HZ2 LYS 54 HZ2 LYS 54 -11.218 -7.861 8.436 13 HZ3 LYS 54 HZ3 LYS 54 -9.801 -6.947 8.281 No H/Q in entry = 13 In of MODEL 9 1 H GLU 55 H GLU 55 -6.939 -3.973 9.781 2 HA GLU 55 HA GLU 55 -8.392 -4.235 7.400 3 HB2 GLU 55 HB2 GLU 55 -8.083 -2.067 9.484 4 HB3 GLU 55 HB3 GLU 55 -9.065 -1.805 8.051 5 HG2 GLU 55 HG2 GLU 55 -10.413 -3.787 8.662 6 HG3 GLU 55 HG3 GLU 55 -9.473 -3.916 10.146 No H/Q in entry = 6 In of MODEL 9 1 H ALA 56 H ALA 56 -5.797 -1.956 8.332 2 HA ALA 56 HA ALA 56 -5.744 -0.674 5.867 3 HB1 ALA 56 HB1 ALA 56 -3.495 0.068 6.447 4 HB2 ALA 56 HB2 ALA 56 -3.385 -1.179 7.689 5 HB3 ALA 56 HB3 ALA 56 -4.537 0.144 7.870 No H/Q in entry = 5 In of MODEL 9 1 H THR 57 H THR 57 -3.860 -3.440 7.028 2 HA THR 57 HA THR 57 -2.336 -4.054 4.855 3 HB THR 57 HB THR 57 -3.821 -6.014 6.614 4 HG1 THR 57 HG1 THR 57 -2.519 -4.796 7.908 5 HG21 THR 57 HG21 THR 57 -1.461 -6.359 4.772 6 HG22 THR 57 HG22 THR 57 -1.909 -7.525 6.020 7 HG23 THR 57 HG23 THR 57 -3.022 -7.176 4.695 No H/Q in entry = 7 In of MODEL 9 1 H GLU 58 H GLU 58 -5.675 -5.110 5.416 2 HA GLU 58 HA GLU 58 -5.893 -6.532 2.947 3 HB2 GLU 58 HB2 GLU 58 -8.114 -6.963 3.525 4 HB3 GLU 58 HB3 GLU 58 -7.207 -6.992 5.030 5 HG2 GLU 58 HG2 GLU 58 -7.952 -4.734 5.508 6 HG3 GLU 58 HG3 GLU 58 -8.886 -4.739 4.015 No H/Q in entry = 6 In of MODEL 9 1 H HIS 59 H HIS 59 -6.301 -3.215 3.820 2 HA HIS 59 HA HIS 59 -7.846 -2.559 1.477 3 HB2 HIS 59 HB2 HIS 59 -6.399 -0.873 3.516 4 HB3 HIS 59 HB3 HIS 59 -7.138 -0.170 2.084 5 HD1 HIS 59 HD1 HIS 59 -9.800 -1.709 2.029 6 HD2 HIS 59 HD2 HIS 59 -8.113 -0.085 5.465 7 HE1 HIS 59 HE1 HIS 59 -11.702 -1.409 3.644 8 HE2 HIS 59 HE2 HIS 59 -10.680 -0.298 5.659 No H/Q in entry = 8 In of MODEL 9 1 H LEU 60 H LEU 60 -4.469 -2.027 2.502 2 HA LEU 60 HA LEU 60 -3.474 -1.232 0.062 3 HB2 LEU 60 HB2 LEU 60 -2.255 -2.622 2.413 4 HB3 LEU 60 HB3 LEU 60 -1.309 -2.309 0.966 5 HG LEU 60 HG LEU 60 -1.966 0.084 1.193 6 HD11 LEU 60 HD11 LEU 60 -3.876 -0.165 2.583 7 HD12 LEU 60 HD12 LEU 60 -2.854 -0.734 3.910 8 HD13 LEU 60 HD13 LEU 60 -2.692 0.923 3.316 9 HD21 LEU 60 HD21 LEU 60 -0.331 -1.117 3.410 10 HD22 LEU 60 HD22 LEU 60 0.254 -0.672 1.807 11 HD23 LEU 60 HD23 LEU 60 -0.296 0.578 2.923 No H/Q in entry = 11 In of MODEL 9 1 H LYS 61 H LYS 61 -4.208 -4.475 1.265 2 HA LYS 61 HA LYS 61 -2.950 -5.949 -0.758 3 HB2 LYS 61 HB2 LYS 61 -5.335 -6.475 0.987 4 HB3 LYS 61 HB3 LYS 61 -4.927 -7.590 -0.306 5 HG2 LYS 61 HG2 LYS 61 -2.744 -7.976 0.674 6 HG3 LYS 61 HG3 LYS 61 -3.087 -6.800 1.943 7 HD2 LYS 61 HD2 LYS 61 -4.877 -8.174 2.795 8 HD3 LYS 61 HD3 LYS 61 -4.697 -9.301 1.452 9 HE2 LYS 61 HE2 LYS 61 -2.521 -9.963 2.235 10 HE3 LYS 61 HE3 LYS 61 -2.553 -8.727 3.491 11 HZ1 LYS 61 HZ1 LYS 61 -4.400 -11.045 3.313 12 HZ2 LYS 61 HZ2 LYS 61 -3.080 -10.922 4.364 13 HZ3 LYS 61 HZ3 LYS 61 -4.397 -9.873 4.532 No H/Q in entry = 13 In of MODEL 9 1 H GLY 62 H GLY 62 -6.366 -4.923 -0.547 2 HA2 GLY 62 HA2 GLY 62 -7.832 -4.290 -2.190 3 HA3 GLY 62 HA3 GLY 62 -7.092 -5.548 -3.167 No H/Q in entry = 3 In of MODEL 9 1 H GLY 63 H GLY 63 -5.614 -2.582 -1.883 2 HA2 GLY 63 HA2 GLY 63 -4.372 -0.968 -2.934 3 HA3 GLY 63 HA3 GLY 63 -5.569 -1.073 -4.216 No H/Q in entry = 3 In of MODEL 9 1 H CYS 64 H CYS 64 -2.980 -3.192 -2.998 2 HA CYS 64 HA CYS 64 -1.426 -2.976 -5.361 3 HB2 CYS 64 HB2 CYS 64 -0.446 -3.621 -3.202 4 HB3 CYS 64 HB3 CYS 64 -1.375 -5.119 -3.224 No H/Q in entry = 4 In of MODEL 9 1 H ARG 65 H ARG 65 -4.081 -4.984 -4.397 2 HA ARG 65 HA ARG 65 -3.895 -6.988 -6.338 3 HB2 ARG 65 HB2 ARG 65 -5.510 -7.059 -4.486 4 HB3 ARG 65 HB3 ARG 65 -6.374 -5.699 -5.184 5 HG2 ARG 65 HG2 ARG 65 -6.910 -7.052 -7.150 6 HG3 ARG 65 HG3 ARG 65 -6.060 -8.420 -6.429 7 HD2 ARG 65 HD2 ARG 65 -8.451 -7.015 -5.252 8 HD3 ARG 65 HD3 ARG 65 -8.483 -8.565 -6.087 9 HE ARG 65 HE ARG 65 -6.643 -8.726 -3.989 10 HH11 ARG 65 HH11 ARG 65 -10.092 -8.395 -4.465 11 HH12 ARG 65 HH12 ARG 65 -10.505 -9.195 -2.982 12 HH21 ARG 65 HH21 ARG 65 -7.186 -9.782 -2.028 13 HH22 ARG 65 HH22 ARG 65 -8.853 -9.977 -1.597 No H/Q in entry = 13 In of MODEL 9 1 H GLU 66 H GLU 66 -5.355 -3.744 -6.457 2 HA GLU 66 HA GLU 66 -6.180 -3.927 -9.161 3 HB2 GLU 66 HB2 GLU 66 -5.464 -1.468 -7.551 4 HB3 GLU 66 HB3 GLU 66 -6.287 -1.457 -9.105 5 HG2 GLU 66 HG2 GLU 66 -8.084 -2.864 -8.013 6 HG3 GLU 66 HG3 GLU 66 -7.307 -2.485 -6.477 No H/Q in entry = 6 In of MODEL 9 1 H ILE 67 H ILE 67 -3.170 -3.022 -7.604 2 HA ILE 67 HA ILE 67 -1.745 -2.137 -9.858 3 HB ILE 67 HB ILE 67 -0.629 -3.758 -7.559 4 HG12 ILE 67 HG12 ILE 67 -1.849 -1.769 -6.755 5 HG13 ILE 67 HG13 ILE 67 -0.118 -1.644 -6.464 6 HG21 ILE 67 HG21 ILE 67 0.716 -1.859 -9.474 7 HG22 ILE 67 HG22 ILE 67 1.488 -2.638 -8.093 8 HG23 ILE 67 HG23 ILE 67 0.898 -3.614 -9.438 9 HD11 ILE 67 HD11 ILE 67 0.085 -0.173 -8.398 10 HD12 ILE 67 HD12 ILE 67 -1.655 -0.289 -8.659 11 HD13 ILE 67 HD13 ILE 67 -1.033 0.458 -7.188 No H/Q in entry = 11 In of MODEL 9 1 H LEU 68 H LEU 68 -1.953 -5.370 -8.402 2 HA LEU 68 HA LEU 68 -0.445 -6.676 -10.407 3 HB2 LEU 68 HB2 LEU 68 -0.939 -7.425 -8.017 4 HB3 LEU 68 HB3 LEU 68 -2.492 -7.969 -8.620 5 HG LEU 68 HG LEU 68 -1.374 -9.521 -10.145 6 HD11 LEU 68 HD11 LEU 68 0.662 -8.226 -10.534 7 HD12 LEU 68 HD12 LEU 68 1.168 -8.520 -8.868 8 HD13 LEU 68 HD13 LEU 68 1.038 -9.866 -10.000 9 HD21 LEU 68 HD21 LEU 68 -0.432 -9.734 -7.286 10 HD22 LEU 68 HD22 LEU 68 -1.981 -10.296 -7.918 11 HD23 LEU 68 HD23 LEU 68 -0.483 -11.056 -8.452 No H/Q in entry = 11 In of MODEL 9 1 H LYS 69 H LYS 69 -3.854 -6.043 -9.973 2 HA LYS 69 HA LYS 69 -4.766 -7.584 -12.142 3 HB2 LYS 69 HB2 LYS 69 -5.924 -5.167 -10.782 4 HB3 LYS 69 HB3 LYS 69 -6.703 -5.892 -12.181 5 HG2 LYS 69 HG2 LYS 69 -6.711 -8.066 -10.919 6 HG3 LYS 69 HG3 LYS 69 -6.187 -7.156 -9.504 7 HD2 LYS 69 HD2 LYS 69 -8.598 -7.466 -9.467 8 HD3 LYS 69 HD3 LYS 69 -8.205 -5.757 -9.676 9 HE2 LYS 69 HE2 LYS 69 -8.682 -5.873 -12.019 10 HE3 LYS 69 HE3 LYS 69 -8.862 -7.624 -11.950 11 HZ1 LYS 69 HZ1 LYS 69 -10.617 -5.701 -10.529 12 HZ2 LYS 69 HZ2 LYS 69 -10.986 -6.415 -12.016 13 HZ3 LYS 69 HZ3 LYS 69 -10.825 -7.377 -10.635 No H/Q in entry = 13 In of MODEL 9 1 H HIS 70 H HIS 70 -2.785 -4.927 -12.102 2 HA HIS 70 HA HIS 70 -3.514 -4.143 -14.824 3 HB2 HIS 70 HB2 HIS 70 -3.416 -2.279 -13.218 4 HB3 HIS 70 HB3 HIS 70 -1.754 -2.706 -12.823 5 HD1 HIS 70 HD1 HIS 70 -3.715 -0.624 -15.044 6 HD2 HIS 70 HD2 HIS 70 0.034 -2.437 -15.131 7 HE1 HIS 70 HE1 HIS 70 -2.446 0.558 -16.856 8 HE2 HIS 70 HE2 HIS 70 -0.177 -0.531 -16.905 No H/Q in entry = 8 In of MODEL 9 1 H VAL 71 H VAL 71 -0.697 -4.715 -12.746 2 HA VAL 71 HA VAL 71 1.156 -4.654 -14.826 3 HB VAL 71 HB VAL 71 1.833 -4.034 -12.646 4 HG11 VAL 71 HG11 VAL 71 1.150 -6.787 -11.790 5 HG12 VAL 71 HG12 VAL 71 2.063 -5.618 -10.826 6 HG13 VAL 71 HG13 VAL 71 0.396 -5.269 -11.304 7 HG21 VAL 71 HG21 VAL 71 3.143 -6.534 -13.592 8 HG22 VAL 71 HG22 VAL 71 3.616 -4.862 -13.892 9 HG23 VAL 71 HG23 VAL 71 3.775 -5.545 -12.277 No H/Q in entry = 9 In of MODEL 9 1 H VAL 72 H VAL 72 -0.161 -7.423 -13.016 2 HA VAL 72 HA VAL 72 1.163 -9.207 -14.901 3 HB VAL 72 HB VAL 72 0.838 -9.501 -12.267 4 HG11 VAL 72 HG11 VAL 72 -1.591 -10.804 -13.429 5 HG12 VAL 72 HG12 VAL 72 -0.907 -11.229 -11.859 6 HG13 VAL 72 HG13 VAL 72 -1.512 -9.597 -12.149 7 HG21 VAL 72 HG21 VAL 72 0.880 -11.661 -14.327 8 HG22 VAL 72 HG22 VAL 72 2.257 -10.873 -13.560 9 HG23 VAL 72 HG23 VAL 72 1.198 -11.918 -12.612 No H/Q in entry = 9 In of MODEL 9 1 H GLY 73 H GLY 73 -1.883 -7.779 -14.265 2 HA2 GLY 73 HA2 GLY 73 -3.017 -9.185 -16.558 3 HA3 GLY 73 HA3 GLY 73 -3.607 -7.676 -15.873 No H/Q in entry = 3 In of MODEL 9 1 H GLU 74 H GLU 74 -5.606 -9.086 -16.244 2 HA GLU 74 HA GLU 74 -6.603 -9.893 -13.724 3 HB2 GLU 74 HB2 GLU 74 -8.030 -8.974 -15.521 4 HB3 GLU 74 HB3 GLU 74 -7.727 -10.412 -16.486 5 HG2 GLU 74 HG2 GLU 74 -8.823 -11.783 -14.789 6 HG3 GLU 74 HG3 GLU 74 -9.130 -10.338 -13.828 No H/Q in entry = 6 In of MODEL 9 1 H GLU 75 H GLU 75 -5.350 -11.591 -16.510 2 HA GLU 75 HA GLU 75 -5.943 -14.222 -16.142 3 HB2 GLU 75 HB2 GLU 75 -4.596 -13.499 -17.984 4 HB3 GLU 75 HB3 GLU 75 -3.309 -12.972 -16.908 5 HG2 GLU 75 HG2 GLU 75 -3.112 -15.382 -16.179 6 HG3 GLU 75 HG3 GLU 75 -4.160 -15.779 -17.542 No H/Q in entry = 6 In of MODEL 9 1 H LYS 76 H LYS 76 -2.960 -12.812 -14.777 2 HA LYS 76 HA LYS 76 -2.439 -15.243 -13.420 3 HB2 LYS 76 HB2 LYS 76 -1.067 -12.583 -13.497 4 HB3 LYS 76 HB3 LYS 76 -0.531 -13.867 -12.440 5 HG2 LYS 76 HG2 LYS 76 -0.905 -14.511 -15.305 6 HG3 LYS 76 HG3 LYS 76 0.488 -13.537 -14.841 7 HD2 LYS 76 HD2 LYS 76 1.377 -15.636 -14.658 8 HD3 LYS 76 HD3 LYS 76 0.784 -15.408 -13.021 9 HE2 LYS 76 HE2 LYS 76 0.202 -17.596 -13.752 10 HE3 LYS 76 HE3 LYS 76 -1.260 -16.634 -13.649 11 HZ1 LYS 76 HZ1 LYS 76 -0.932 -16.233 -16.126 12 HZ2 LYS 76 HZ2 LYS 76 0.183 -17.509 -16.069 13 HZ3 LYS 76 HZ3 LYS 76 -1.438 -17.781 -15.652 No H/Q in entry = 13 In of MODEL 9 1 H ALA 77 H ALA 77 -3.524 -12.045 -12.408 2 HA ALA 77 HA ALA 77 -3.388 -12.521 -9.638 3 HB1 ALA 77 HB1 ALA 77 -4.892 -10.609 -9.413 4 HB2 ALA 77 HB2 ALA 77 -5.261 -10.682 -11.136 5 HB3 ALA 77 HB3 ALA 77 -3.630 -10.276 -10.600 No H/Q in entry = 5 In of MODEL 9 1 H ALA 78 H ALA 78 -5.688 -13.418 -12.087 2 HA ALA 78 HA ALA 78 -7.779 -14.243 -10.332 3 HB1 ALA 78 HB1 ALA 78 -7.130 -14.892 -13.207 4 HB2 ALA 78 HB2 ALA 78 -8.345 -13.765 -12.595 5 HB3 ALA 78 HB3 ALA 78 -8.563 -15.502 -12.371 No H/Q in entry = 5 In of MODEL 9 1 H GLU 79 H GLU 79 -4.980 -15.787 -11.807 2 HA GLU 79 HA GLU 79 -5.653 -18.411 -10.883 3 HB2 GLU 79 HB2 GLU 79 -2.970 -17.375 -11.834 4 HB3 GLU 79 HB3 GLU 79 -3.445 -19.065 -11.680 5 HG2 GLU 79 HG2 GLU 79 -5.371 -18.334 -13.300 6 HG3 GLU 79 HG3 GLU 79 -4.245 -17.042 -13.697 No H/Q in entry = 6 In of MODEL 9 1 H LEU 80 H LEU 80 -3.887 -15.698 -9.633 2 HA LEU 80 HA LEU 80 -2.730 -17.141 -7.439 3 HB2 LEU 80 HB2 LEU 80 -3.062 -14.177 -7.894 4 HB3 LEU 80 HB3 LEU 80 -2.030 -14.923 -6.682 5 HG LEU 80 HG LEU 80 -1.696 -15.388 -9.640 6 HD11 LEU 80 HD11 LEU 80 -0.346 -13.381 -7.858 7 HD12 LEU 80 HD12 LEU 80 0.232 -13.845 -9.461 8 HD13 LEU 80 HD13 LEU 80 -1.342 -13.067 -9.282 9 HD21 LEU 80 HD21 LEU 80 -0.805 -17.098 -8.115 10 HD22 LEU 80 HD22 LEU 80 0.457 -16.263 -9.026 11 HD23 LEU 80 HD23 LEU 80 0.173 -15.858 -7.331 No H/Q in entry = 11 In of MODEL 9 1 H LYS 81 H LYS 81 -5.542 -15.059 -7.943 2 HA LYS 81 HA LYS 81 -6.538 -15.034 -5.334 3 HB2 LYS 81 HB2 LYS 81 -7.710 -13.628 -6.753 4 HB3 LYS 81 HB3 LYS 81 -7.741 -14.797 -8.060 5 HG2 LYS 81 HG2 LYS 81 -9.967 -14.473 -7.245 6 HG3 LYS 81 HG3 LYS 81 -9.434 -16.094 -6.812 7 HD2 LYS 81 HD2 LYS 81 -10.540 -15.249 -4.911 8 HD3 LYS 81 HD3 LYS 81 -8.820 -15.144 -4.545 9 HE2 LYS 81 HE2 LYS 81 -8.801 -12.799 -4.975 10 HE3 LYS 81 HE3 LYS 81 -10.438 -12.848 -5.627 11 HZ1 LYS 81 HZ1 LYS 81 -9.685 -13.406 -2.811 12 HZ2 LYS 81 HZ2 LYS 81 -10.412 -11.989 -3.374 13 HZ3 LYS 81 HZ3 LYS 81 -11.256 -13.450 -3.440 No H/Q in entry = 13 In of MODEL 9 1 H ASN 82 H ASN 82 -7.210 -17.307 -7.989 2 HA ASN 82 HA ASN 82 -8.777 -19.047 -6.400 3 HB2 ASN 82 HB2 ASN 82 -8.799 -18.940 -8.917 4 HB3 ASN 82 HB3 ASN 82 -7.235 -19.740 -8.914 5 HD21 ASN 82 HD21 ASN 82 -10.631 -20.095 -8.399 6 HD22 ASN 82 HD22 ASN 82 -10.649 -21.821 -8.326 No H/Q in entry = 6 In of MODEL 9 1 H LEU 83 H LEU 83 -5.327 -18.773 -6.967 2 HA LEU 83 HA LEU 83 -4.580 -21.300 -5.994 3 HB2 LEU 83 HB2 LEU 83 -3.308 -18.765 -6.656 4 HB3 LEU 83 HB3 LEU 83 -2.564 -19.542 -5.286 5 HG LEU 83 HG LEU 83 -3.004 -20.948 -7.910 6 HD11 LEU 83 HD11 LEU 83 -0.574 -19.442 -6.955 7 HD12 LEU 83 HD12 LEU 83 -0.619 -20.513 -8.356 8 HD13 LEU 83 HD13 LEU 83 -1.590 -19.042 -8.343 9 HD21 LEU 83 HD21 LEU 83 -2.663 -22.363 -5.919 10 HD22 LEU 83 HD22 LEU 83 -1.348 -22.500 -7.087 11 HD23 LEU 83 HD23 LEU 83 -1.131 -21.538 -5.624 No H/Q in entry = 11 In of MODEL 9 1 H LYS 84 H LYS 84 -5.115 -18.172 -4.458 2 HA LYS 84 HA LYS 84 -4.288 -18.809 -1.864 3 HB2 LYS 84 HB2 LYS 84 -4.681 -16.524 -2.530 4 HB3 LYS 84 HB3 LYS 84 -6.373 -16.862 -2.855 5 HG2 LYS 84 HG2 LYS 84 -6.762 -17.255 -0.481 6 HG3 LYS 84 HG3 LYS 84 -5.059 -16.944 -0.147 7 HD2 LYS 84 HD2 LYS 84 -5.267 -14.668 -0.879 8 HD3 LYS 84 HD3 LYS 84 -6.914 -14.954 -1.446 9 HE2 LYS 84 HE2 LYS 84 -6.906 -13.774 0.691 10 HE3 LYS 84 HE3 LYS 84 -7.640 -15.368 0.844 11 HZ1 LYS 84 HZ1 LYS 84 -4.837 -14.734 1.582 12 HZ2 LYS 84 HZ2 LYS 84 -6.120 -14.820 2.676 13 HZ3 LYS 84 HZ3 LYS 84 -5.636 -16.200 1.832 No H/Q in entry = 13 In of MODEL 9 1 H ASP 85 H ASP 85 -7.612 -18.820 -3.200 2 HA ASP 85 HA ASP 85 -8.758 -19.948 -0.871 3 HB2 ASP 85 HB2 ASP 85 -9.747 -19.580 -3.683 4 HB3 ASP 85 HB3 ASP 85 -10.709 -20.449 -2.491 No H/Q in entry = 4 In of MODEL 9 1 H SER 86 H SER 86 -7.187 -21.402 -3.610 2 HA SER 86 HA SER 86 -8.342 -24.003 -3.145 3 HB2 SER 86 HB2 SER 86 -7.522 -23.202 -5.399 4 HB3 SER 86 HB3 SER 86 -5.880 -23.369 -4.781 5 HG SER 86 HG SER 86 -6.642 -25.625 -4.244 No H/Q in entry = 5 In of MODEL 9 1 H GLY 87 H GLY 87 -5.916 -22.164 -1.725 2 HA2 GLY 87 HA2 GLY 87 -5.040 -24.562 -0.253 3 HA3 GLY 87 HA3 GLY 87 -5.124 -22.946 0.425 No H/Q in entry = 3 In of MODEL 9 1 H ALA 88 H ALA 88 -3.859 -21.735 -1.984 2 HA ALA 88 HA ALA 88 -1.191 -22.742 -1.968 3 HB1 ALA 88 HB1 ALA 88 -2.188 -19.996 -2.729 4 HB2 ALA 88 HB2 ALA 88 -2.015 -21.372 -3.819 5 HB3 ALA 88 HB3 ALA 88 -0.588 -20.651 -3.077 No H/Q in entry = 5 In of MODEL 9 1 H SER 89 H SER 89 0.181 -22.483 -0.418 2 HA SER 89 HA SER 89 -0.353 -21.072 1.972 3 HB2 SER 89 HB2 SER 89 2.248 -22.309 1.055 4 HB3 SER 89 HB3 SER 89 1.736 -21.994 2.706 5 HG SER 89 HG SER 89 -0.129 -23.444 2.061 No H/Q in entry = 5 In of MODEL 9 1 H LYS 90 H LYS 90 1.593 -19.685 2.878 2 HA LYS 90 HA LYS 90 1.512 -17.271 1.503 3 HB2 LYS 90 HB2 LYS 90 3.608 -18.142 3.500 4 HB3 LYS 90 HB3 LYS 90 3.205 -16.485 3.071 5 HG2 LYS 90 HG2 LYS 90 1.353 -18.444 4.418 6 HG3 LYS 90 HG3 LYS 90 2.237 -17.147 5.221 7 HD2 LYS 90 HD2 LYS 90 1.017 -15.483 3.975 8 HD3 LYS 90 HD3 LYS 90 0.226 -16.727 3.010 9 HE2 LYS 90 HE2 LYS 90 -0.874 -17.582 5.018 10 HE3 LYS 90 HE3 LYS 90 -0.072 -16.350 5.989 11 HZ1 LYS 90 HZ1 LYS 90 -1.915 -15.754 3.742 12 HZ2 LYS 90 HZ2 LYS 90 -2.383 -15.789 5.366 13 HZ3 LYS 90 HZ3 LYS 90 -1.253 -14.648 4.837 No H/Q in entry = 13 In of MODEL 9 1 H GLU 91 H GLU 91 3.909 -19.843 1.419 2 HA GLU 91 HA GLU 91 5.836 -18.357 -0.058 3 HB2 GLU 91 HB2 GLU 91 5.546 -21.311 0.439 4 HB3 GLU 91 HB3 GLU 91 6.907 -20.589 -0.409 5 HG2 GLU 91 HG2 GLU 91 7.374 -19.235 1.618 6 HG3 GLU 91 HG3 GLU 91 6.098 -20.121 2.451 No H/Q in entry = 6 In of MODEL 9 1 H GLU 92 H GLU 92 3.390 -20.737 -1.043 2 HA GLU 92 HA GLU 92 3.928 -20.973 -3.723 3 HB2 GLU 92 HB2 GLU 92 1.237 -20.813 -2.373 4 HB3 GLU 92 HB3 GLU 92 1.568 -21.516 -3.946 5 HG2 GLU 92 HG2 GLU 92 2.645 -22.499 -1.332 6 HG3 GLU 92 HG3 GLU 92 1.307 -23.198 -2.234 No H/Q in entry = 6 In of MODEL 9 1 H LEU 93 H LEU 93 1.940 -18.568 -2.033 2 HA LEU 93 HA LEU 93 1.569 -17.044 -4.430 3 HB2 LEU 93 HB2 LEU 93 1.196 -16.256 -1.535 4 HB3 LEU 93 HB3 LEU 93 0.726 -15.258 -2.906 5 HG LEU 93 HG LEU 93 -0.379 -17.980 -2.199 6 HD11 LEU 93 HD11 LEU 93 -1.619 -15.247 -2.217 7 HD12 LEU 93 HD12 LEU 93 -2.518 -16.757 -2.054 8 HD13 LEU 93 HD13 LEU 93 -1.340 -16.293 -0.820 9 HD21 LEU 93 HD21 LEU 93 -0.900 -16.240 -4.600 10 HD22 LEU 93 HD22 LEU 93 -0.231 -17.871 -4.578 11 HD23 LEU 93 HD23 LEU 93 -1.910 -17.605 -4.119 No H/Q in entry = 11 In of MODEL 9 1 H LYS 94 H LYS 94 4.046 -17.040 -1.875 2 HA LYS 94 HA LYS 94 5.038 -14.488 -2.604 3 HB2 LYS 94 HB2 LYS 94 5.481 -15.584 -0.418 4 HB3 LYS 94 HB3 LYS 94 6.523 -16.735 -1.236 5 HG2 LYS 94 HG2 LYS 94 8.018 -14.947 -1.911 6 HG3 LYS 94 HG3 LYS 94 6.957 -13.758 -1.155 7 HD2 LYS 94 HD2 LYS 94 8.811 -14.232 0.321 8 HD3 LYS 94 HD3 LYS 94 7.320 -14.864 1.024 9 HE2 LYS 94 HE2 LYS 94 7.889 -17.102 0.262 10 HE3 LYS 94 HE3 LYS 94 9.352 -16.488 -0.505 11 HZ1 LYS 94 HZ1 LYS 94 10.168 -15.827 1.669 12 HZ2 LYS 94 HZ2 LYS 94 8.766 -16.418 2.405 13 HZ3 LYS 94 HZ3 LYS 94 9.833 -17.482 1.640 No H/Q in entry = 13 In of MODEL 9 1 H ALA 95 H ALA 95 5.799 -17.747 -3.579 2 HA ALA 95 HA ALA 95 8.035 -16.824 -5.170 3 HB1 ALA 95 HB1 ALA 95 8.244 -18.876 -3.840 4 HB2 ALA 95 HB2 ALA 95 8.504 -19.166 -5.560 5 HB3 ALA 95 HB3 ALA 95 6.974 -19.619 -4.811 No H/Q in entry = 5 In of MODEL 9 1 H LYS 96 H LYS 96 4.972 -18.606 -5.744 2 HA LYS 96 HA LYS 96 5.272 -18.691 -8.547 3 HB2 LYS 96 HB2 LYS 96 2.850 -18.829 -6.775 4 HB3 LYS 96 HB3 LYS 96 2.747 -18.970 -8.513 5 HG2 LYS 96 HG2 LYS 96 4.310 -20.781 -6.692 6 HG3 LYS 96 HG3 LYS 96 2.759 -21.155 -7.447 7 HD2 LYS 96 HD2 LYS 96 3.765 -21.016 -9.647 8 HD3 LYS 96 HD3 LYS 96 5.308 -20.535 -8.938 9 HE2 LYS 96 HE2 LYS 96 5.322 -22.711 -7.711 10 HE3 LYS 96 HE3 LYS 96 3.902 -23.179 -8.646 11 HZ1 LYS 96 HZ1 LYS 96 6.477 -22.359 -9.871 12 HZ2 LYS 96 HZ2 LYS 96 6.056 -23.972 -9.558 13 HZ3 LYS 96 HZ3 LYS 96 5.143 -23.058 -10.647 No H/Q in entry = 13 In of MODEL 9 1 H VAL 97 H VAL 97 4.250 -16.145 -6.454 2 HA VAL 97 HA VAL 97 2.978 -14.478 -8.354 3 HB VAL 97 HB VAL 97 3.292 -14.270 -5.706 4 HG11 VAL 97 HG11 VAL 97 5.284 -12.475 -6.973 5 HG12 VAL 97 HG12 VAL 97 4.663 -12.229 -5.338 6 HG13 VAL 97 HG13 VAL 97 5.568 -13.693 -5.741 7 HG21 VAL 97 HG21 VAL 97 1.614 -13.126 -7.039 8 HG22 VAL 97 HG22 VAL 97 2.382 -12.016 -5.906 9 HG23 VAL 97 HG23 VAL 97 2.837 -11.989 -7.608 No H/Q in entry = 9 In of MODEL 9 1 H GLU 98 H GLU 98 6.296 -15.047 -7.491 2 HA GLU 98 HA GLU 98 7.309 -12.810 -8.941 3 HB2 GLU 98 HB2 GLU 98 8.636 -15.206 -7.698 4 HB3 GLU 98 HB3 GLU 98 9.528 -13.926 -8.516 5 HG2 GLU 98 HG2 GLU 98 7.656 -13.436 -6.204 6 HG3 GLU 98 HG3 GLU 98 9.394 -13.722 -6.022 No H/Q in entry = 6 In of MODEL 9 1 H GLU 99 H GLU 99 6.627 -16.139 -9.711 2 HA GLU 99 HA GLU 99 8.126 -16.210 -12.126 3 HB2 GLU 99 HB2 GLU 99 5.689 -17.769 -11.260 4 HB3 GLU 99 HB3 GLU 99 6.566 -18.078 -12.752 5 HG2 GLU 99 HG2 GLU 99 8.615 -18.449 -11.365 6 HG3 GLU 99 HG3 GLU 99 7.580 -18.354 -9.942 No H/Q in entry = 6 In of MODEL 9 1 H ALA 100 H ALA 100 4.888 -15.185 -11.286 2 HA ALA 100 HA ALA 100 4.126 -14.534 -13.960 3 HB1 ALA 100 HB1 ALA 100 2.977 -13.503 -11.371 4 HB2 ALA 100 HB2 ALA 100 2.529 -15.032 -12.132 5 HB3 ALA 100 HB3 ALA 100 2.198 -13.509 -12.955 No H/Q in entry = 5 In of MODEL 9 1 H LEU 101 H LEU 101 5.289 -12.657 -11.185 2 HA LEU 101 HA LEU 101 5.327 -10.142 -12.442 3 HB2 LEU 101 HB2 LEU 101 6.593 -11.321 -10.013 4 HB3 LEU 101 HB3 LEU 101 7.112 -9.742 -10.556 5 HG LEU 101 HG LEU 101 5.304 -9.883 -8.735 6 HD11 LEU 101 HD11 LEU 101 4.856 -8.197 -11.190 7 HD12 LEU 101 HD12 LEU 101 4.189 -7.880 -9.589 8 HD13 LEU 101 HD13 LEU 101 5.932 -7.816 -9.843 9 HD21 LEU 101 HD21 LEU 101 3.865 -11.521 -9.856 10 HD22 LEU 101 HD22 LEU 101 3.013 -10.019 -9.502 11 HD23 LEU 101 HD23 LEU 101 3.560 -10.356 -11.143 No H/Q in entry = 11 In of MODEL 9 1 H HIS 102 H HIS 102 7.560 -12.797 -12.637 2 HA HIS 102 HA HIS 102 9.616 -11.136 -13.812 3 HB2 HIS 102 HB2 HIS 102 9.335 -14.125 -13.530 4 HB3 HIS 102 HB3 HIS 102 10.658 -13.378 -14.417 5 HD1 HIS 102 HD1 HIS 102 11.423 -15.065 -12.075 6 HD2 HIS 102 HD2 HIS 102 10.538 -11.023 -11.695 7 HE1 HIS 102 HE1 HIS 102 12.511 -14.333 -9.931 8 HE2 HIS 102 HE2 HIS 102 11.838 -11.925 -9.647 No H/Q in entry = 8 In of MODEL 9 1 H ALA 103 H ALA 103 7.125 -13.411 -14.899 2 HA ALA 103 HA ALA 103 7.985 -13.615 -17.551 3 HB1 ALA 103 HB1 ALA 103 5.200 -14.027 -16.482 4 HB2 ALA 103 HB2 ALA 103 6.501 -15.214 -16.390 5 HB3 ALA 103 HB3 ALA 103 5.872 -14.707 -17.963 No H/Q in entry = 5 In of MODEL 9 1 H VAL 104 H VAL 104 6.682 -10.924 -16.097 2 HA VAL 104 HA VAL 104 5.183 -10.003 -18.374 3 HB VAL 104 HB VAL 104 4.192 -9.503 -16.296 4 HG11 VAL 104 HG11 VAL 104 6.155 -9.780 -14.919 5 HG12 VAL 104 HG12 VAL 104 6.766 -8.223 -15.480 6 HG13 VAL 104 HG13 VAL 104 5.282 -8.299 -14.527 7 HG21 VAL 104 HG21 VAL 104 5.540 -7.017 -17.315 8 HG22 VAL 104 HG22 VAL 104 4.021 -7.689 -17.900 9 HG23 VAL 104 HG23 VAL 104 4.129 -7.048 -16.261 No H/Q in entry = 9 In of MODEL 9 1 H THR 105 H THR 105 5.769 -8.186 -19.595 2 HA THR 105 HA THR 105 8.536 -7.270 -19.310 3 HB THR 105 HB THR 105 8.820 -7.677 -21.828 4 HG1 THR 105 HG1 THR 105 7.551 -9.751 -22.304 5 HG21 THR 105 HG21 THR 105 8.769 -10.014 -19.919 6 HG22 THR 105 HG22 THR 105 9.614 -9.982 -21.467 7 HG23 THR 105 HG23 THR 105 10.109 -8.894 -20.169 No H/Q in entry = 7 In of MODEL 9 1 H ASP 106 H ASP 106 5.428 -6.326 -19.740 2 HA ASP 106 HA ASP 106 5.981 -4.195 -21.598 3 HB2 ASP 106 HB2 ASP 106 3.684 -5.263 -21.148 4 HB3 ASP 106 HB3 ASP 106 3.672 -4.332 -19.663 No H/Q in entry = 4 In of MODEL 9 1 H GLU 107 H GLU 107 6.798 -2.267 -21.122 2 HA GLU 107 HA GLU 107 8.479 -2.120 -18.941 3 HB2 GLU 107 HB2 GLU 107 8.687 -0.905 -21.136 4 HB3 GLU 107 HB3 GLU 107 7.524 0.261 -20.524 5 HG2 GLU 107 HG2 GLU 107 9.739 1.127 -20.245 6 HG3 GLU 107 HG3 GLU 107 9.055 0.765 -18.661 No H/Q in entry = 6 In of MODEL 9 1 H GLU 108 H GLU 108 5.509 -0.283 -19.463 2 HA GLU 108 HA GLU 108 5.427 1.230 -17.153 3 HB2 GLU 108 HB2 GLU 108 3.879 1.609 -18.940 4 HB3 GLU 108 HB3 GLU 108 3.235 -0.020 -18.809 5 HG2 GLU 108 HG2 GLU 108 2.511 0.680 -16.446 6 HG3 GLU 108 HG3 GLU 108 2.790 2.329 -17.014 No H/Q in entry = 6 In of MODEL 9 1 H LYS 109 H LYS 109 4.313 -2.061 -17.710 2 HA LYS 109 HA LYS 109 3.042 -2.518 -15.255 3 HB2 LYS 109 HB2 LYS 109 4.333 -4.322 -17.295 4 HB3 LYS 109 HB3 LYS 109 3.551 -4.960 -15.865 5 HG2 LYS 109 HG2 LYS 109 2.156 -5.009 -17.922 6 HG3 LYS 109 HG3 LYS 109 1.422 -4.164 -16.579 7 HD2 LYS 109 HD2 LYS 109 1.985 -2.030 -17.555 8 HD3 LYS 109 HD3 LYS 109 2.839 -2.832 -18.872 9 HE2 LYS 109 HE2 LYS 109 0.749 -3.872 -19.596 10 HE3 LYS 109 HE3 LYS 109 -0.103 -3.088 -18.269 11 HZ1 LYS 109 HZ1 LYS 109 0.488 -0.932 -19.230 12 HZ2 LYS 109 HZ2 LYS 109 1.256 -1.714 -20.523 13 HZ3 LYS 109 HZ3 LYS 109 -0.414 -1.872 -20.314 No H/Q in entry = 13 In of MODEL 9 1 H LYS 110 H LYS 110 6.363 -3.112 -16.337 2 HA LYS 110 HA LYS 110 7.182 -4.346 -13.899 3 HB2 LYS 110 HB2 LYS 110 8.858 -3.143 -16.097 4 HB3 LYS 110 HB3 LYS 110 9.456 -4.186 -14.818 5 HG2 LYS 110 HG2 LYS 110 8.028 -5.998 -15.668 6 HG3 LYS 110 HG3 LYS 110 7.507 -4.942 -16.982 7 HD2 LYS 110 HD2 LYS 110 10.341 -5.836 -16.446 8 HD3 LYS 110 HD3 LYS 110 9.283 -6.465 -17.706 9 HE2 LYS 110 HE2 LYS 110 10.538 -4.937 -18.886 10 HE3 LYS 110 HE3 LYS 110 9.140 -3.967 -18.443 11 HZ1 LYS 110 HZ1 LYS 110 10.526 -3.252 -16.454 12 HZ2 LYS 110 HZ2 LYS 110 11.853 -3.913 -17.265 13 HZ3 LYS 110 HZ3 LYS 110 10.983 -2.635 -17.959 No H/Q in entry = 13 In of MODEL 9 1 H GLN 111 H GLN 111 6.833 -1.121 -14.892 2 HA GLN 111 HA GLN 111 8.508 0.150 -13.009 3 HB2 GLN 111 HB2 GLN 111 5.895 0.994 -14.261 4 HB3 GLN 111 HB3 GLN 111 6.810 2.033 -13.178 5 HG2 GLN 111 HG2 GLN 111 7.941 0.861 -15.703 6 HG3 GLN 111 HG3 GLN 111 7.174 2.447 -15.613 7 HE21 GLN 111 HE21 GLN 111 9.912 0.525 -14.622 8 HE22 GLN 111 HE22 GLN 111 10.916 1.851 -14.148 No H/Q in entry = 8 In of MODEL 9 1 H TYR 112 H TYR 112 5.255 -1.181 -12.770 2 HA TYR 112 HA TYR 112 4.791 -0.289 -10.079 3 HB2 TYR 112 HB2 TYR 112 3.458 -2.556 -11.583 4 HB3 TYR 112 HB3 TYR 112 2.844 -1.756 -10.141 5 HD1 TYR 112 HD1 TYR 112 3.158 1.044 -10.676 6 HD2 TYR 112 HD2 TYR 112 2.052 -2.069 -13.351 7 HE1 TYR 112 HE1 TYR 112 1.943 2.669 -12.060 8 HE2 TYR 112 HE2 TYR 112 0.836 -0.450 -14.749 9 HH TYR 112 HH TYR 112 1.263 2.790 -14.590 No H/Q in entry = 9 In of MODEL 9 1 H ILE 113 H ILE 113 6.096 -3.149 -11.630 2 HA ILE 113 HA ILE 113 6.315 -4.845 -9.434 3 HB ILE 113 HB ILE 113 8.290 -4.496 -11.684 4 HG12 ILE 113 HG12 ILE 113 5.906 -6.321 -11.350 5 HG13 ILE 113 HG13 ILE 113 6.045 -4.982 -12.483 6 HG21 ILE 113 HG21 ILE 113 7.893 -6.790 -9.762 7 HG22 ILE 113 HG22 ILE 113 8.964 -6.803 -11.163 8 HG23 ILE 113 HG23 ILE 113 9.280 -5.703 -9.823 9 HD11 ILE 113 HD11 ILE 113 7.953 -6.181 -13.535 10 HD12 ILE 113 HD12 ILE 113 7.576 -7.555 -12.495 11 HD13 ILE 113 HD13 ILE 113 6.396 -6.991 -13.674 No H/Q in entry = 11 In of MODEL 9 1 H ALA 114 H ALA 114 8.501 -2.279 -10.544 2 HA ALA 114 HA ALA 114 10.382 -2.625 -8.423 3 HB1 ALA 114 HB1 ALA 114 11.118 -1.685 -10.516 4 HB2 ALA 114 HB2 ALA 114 11.319 -0.473 -9.252 5 HB3 ALA 114 HB3 ALA 114 9.961 -0.360 -10.376 No H/Q in entry = 5 In of MODEL 9 1 H ASP 115 H ASP 115 7.671 -0.420 -9.021 2 HA ASP 115 HA ASP 115 8.146 1.201 -6.753 3 HB2 ASP 115 HB2 ASP 115 5.728 0.781 -8.493 4 HB3 ASP 115 HB3 ASP 115 5.713 1.877 -7.125 No H/Q in entry = 4 In of MODEL 9 1 H PHE 116 H PHE 116 5.664 -1.307 -7.304 2 HA PHE 116 HA PHE 116 5.017 -1.075 -4.460 3 HB2 PHE 116 HB2 PHE 116 3.405 -1.344 -6.826 4 HB3 PHE 116 HB3 PHE 116 3.108 -2.719 -5.770 5 HD1 PHE 116 HD1 PHE 116 2.361 -2.314 -3.428 6 HD2 PHE 116 HD2 PHE 116 2.523 0.771 -6.356 7 HE1 PHE 116 HE1 PHE 116 0.825 -0.958 -2.067 8 HE2 PHE 116 HE2 PHE 116 0.984 2.141 -4.992 9 HZ PHE 116 HZ PHE 116 0.134 1.267 -2.845 No H/Q in entry = 9 In of MODEL 9 1 H GLY 117 H GLY 117 6.349 -3.260 -6.762 2 HA2 GLY 117 HA2 GLY 117 7.171 -5.410 -6.520 3 HA3 GLY 117 HA3 GLY 117 5.532 -5.749 -6.006 No H/Q in entry = 3 In of MODEL 9 1 HA PRO 118 HA PRO 118 8.958 -6.553 -2.695 2 HB2 PRO 118 HB2 PRO 118 9.917 -3.826 -2.055 3 HB3 PRO 118 HB3 PRO 118 10.835 -5.319 -2.274 4 HG2 PRO 118 HG2 PRO 118 10.869 -3.402 -4.128 5 HG3 PRO 118 HG3 PRO 118 10.873 -5.116 -4.579 6 HD2 PRO 118 HD2 PRO 118 8.623 -3.146 -4.627 7 HD3 PRO 118 HD3 PRO 118 9.022 -4.430 -5.785 No H/Q in entry = 7 In of MODEL 9 1 H ALA 119 H ALA 119 7.141 -3.566 -2.480 2 HA ALA 119 HA ALA 119 6.760 -3.734 0.383 3 HB1 ALA 119 HB1 ALA 119 5.373 -1.762 0.091 4 HB2 ALA 119 HB2 ALA 119 5.455 -1.944 -1.660 5 HB3 ALA 119 HB3 ALA 119 6.915 -1.568 -0.745 No H/Q in entry = 5 In of MODEL 9 1 H CYS 120 H CYS 120 4.936 -4.486 -2.529 2 HA CYS 120 HA CYS 120 2.503 -5.238 -1.419 3 HB2 CYS 120 HB2 CYS 120 4.053 -6.447 -3.711 4 HB3 CYS 120 HB3 CYS 120 2.403 -6.907 -3.307 No H/Q in entry = 4 In of MODEL 9 1 H LYS 121 H LYS 121 5.603 -6.886 -1.438 2 HA LYS 121 HA LYS 121 4.811 -9.416 -0.609 3 HB2 LYS 121 HB2 LYS 121 7.273 -7.893 -0.644 4 HB3 LYS 121 HB3 LYS 121 7.197 -8.962 0.751 5 HG2 LYS 121 HG2 LYS 121 8.274 -9.990 -1.213 6 HG3 LYS 121 HG3 LYS 121 6.858 -10.877 -0.655 7 HD2 LYS 121 HD2 LYS 121 5.541 -9.651 -2.430 8 HD3 LYS 121 HD3 LYS 121 7.085 -9.073 -3.059 9 HE2 LYS 121 HE2 LYS 121 6.388 -11.983 -2.687 10 HE3 LYS 121 HE3 LYS 121 6.190 -11.108 -4.204 11 HZ1 LYS 121 HZ1 LYS 121 8.797 -11.280 -2.811 12 HZ2 LYS 121 HZ2 LYS 121 8.294 -12.435 -3.937 13 HZ3 LYS 121 HZ3 LYS 121 8.493 -10.826 -4.414 No H/Q in entry = 13 In of MODEL 9 1 H LYS 122 H LYS 122 5.791 -6.735 1.613 2 HA LYS 122 HA LYS 122 4.908 -8.129 3.918 3 HB2 LYS 122 HB2 LYS 122 4.899 -5.895 5.047 4 HB3 LYS 122 HB3 LYS 122 6.416 -6.322 4.276 5 HG2 LYS 122 HG2 LYS 122 6.026 -4.810 2.489 6 HG3 LYS 122 HG3 LYS 122 4.360 -4.542 3.000 7 HD2 LYS 122 HD2 LYS 122 5.877 -2.683 3.610 8 HD3 LYS 122 HD3 LYS 122 5.102 -3.430 5.007 9 HE2 LYS 122 HE2 LYS 122 7.445 -2.986 5.464 10 HE3 LYS 122 HE3 LYS 122 7.139 -4.719 5.437 11 HZ1 LYS 122 HZ1 LYS 122 8.304 -3.151 3.203 12 HZ2 LYS 122 HZ2 LYS 122 9.172 -4.134 4.267 13 HZ3 LYS 122 HZ3 LYS 122 8.046 -4.819 3.212 No H/Q in entry = 13 In of MODEL 9 1 H ILE 123 H ILE 123 3.249 -6.178 1.559 2 HA ILE 123 HA ILE 123 0.952 -5.612 3.092 3 HB ILE 123 HB ILE 123 1.339 -5.695 0.124 4 HG12 ILE 123 HG12 ILE 123 1.050 -3.435 2.114 5 HG13 ILE 123 HG13 ILE 123 2.564 -3.968 1.390 6 HG21 ILE 123 HG21 ILE 123 -1.070 -4.871 1.732 7 HG22 ILE 123 HG22 ILE 123 -0.823 -4.452 0.035 8 HG23 ILE 123 HG23 ILE 123 -0.982 -6.143 0.513 9 HD11 ILE 123 HD11 ILE 123 0.223 -2.866 -0.118 10 HD12 ILE 123 HD12 ILE 123 1.661 -1.957 0.343 11 HD13 ILE 123 HD13 ILE 123 1.793 -3.304 -0.785 No H/Q in entry = 11 In of MODEL 9 1 H TYR 124 H TYR 124 1.574 -8.027 0.652 2 HA TYR 124 HA TYR 124 -0.742 -9.632 1.172 3 HB2 TYR 124 HB2 TYR 124 1.744 -10.043 -0.484 4 HB3 TYR 124 HB3 TYR 124 0.522 -11.293 -0.299 5 HD1 TYR 124 HD1 TYR 124 -1.931 -10.554 -0.878 6 HD2 TYR 124 HD2 TYR 124 1.563 -8.541 -2.231 7 HE1 TYR 124 HE1 TYR 124 -3.223 -9.560 -2.717 8 HE2 TYR 124 HE2 TYR 124 0.280 -7.539 -4.074 9 HH TYR 124 HH TYR 124 -3.153 -7.711 -4.228 No H/Q in entry = 9 In of MODEL 9 1 H GLY 125 H GLY 125 0.810 -9.106 3.446 2 HA2 GLY 125 HA2 GLY 125 1.997 -10.046 5.231 3 HA3 GLY 125 HA3 GLY 125 3.220 -9.725 4.038 No H/Q in entry = 3 In of MODEL 9 1 H VAL 126 H VAL 126 2.344 -12.019 2.405 2 HA VAL 126 HA VAL 126 2.602 -14.491 3.459 3 HB VAL 126 HB VAL 126 3.963 -15.090 1.412 4 HG11 VAL 126 HG11 VAL 126 1.466 -13.446 0.998 5 HG12 VAL 126 HG12 VAL 126 2.146 -14.589 -0.158 6 HG13 VAL 126 HG13 VAL 126 1.529 -15.163 1.391 7 HG21 VAL 126 HG21 VAL 126 3.677 -12.130 0.883 8 HG22 VAL 126 HG22 VAL 126 5.184 -13.010 1.150 9 HG23 VAL 126 HG23 VAL 126 4.222 -13.328 -0.294 No H/Q in entry = 9 In of MODEL 9 1 H HIS 127 H HIS 127 5.155 -12.086 3.360 2 HA HIS 127 HA HIS 127 7.376 -13.713 3.884 3 HB2 HIS 127 HB2 HIS 127 7.439 -11.271 3.297 4 HB3 HIS 127 HB3 HIS 127 6.904 -10.911 4.931 5 HD1 HIS 127 HD1 HIS 127 9.892 -11.468 2.937 6 HD2 HIS 127 HD2 HIS 127 8.874 -11.715 6.958 7 HE1 HIS 127 HE1 HIS 127 12.070 -11.439 4.188 8 HE2 HIS 127 HE2 HIS 127 11.432 -11.786 6.598 No H/Q in entry = 8 In of MODEL 9 1 H THR 128 H THR 128 4.859 -12.459 5.941 2 HA THR 128 HA THR 128 6.013 -13.886 8.243 3 HB THR 128 HB THR 128 4.463 -12.363 9.589 4 HG1 THR 128 HG1 THR 128 3.432 -11.695 7.429 5 HG21 THR 128 HG21 THR 128 6.894 -12.055 9.511 6 HG22 THR 128 HG22 THR 128 6.726 -11.086 8.048 7 HG23 THR 128 HG23 THR 128 6.058 -10.505 9.574 No H/Q in entry = 7 In of MODEL 9 1 H SER 129 H SER 129 5.040 -15.822 8.355 2 HA SER 129 HA SER 129 2.283 -16.106 7.461 3 HB2 SER 129 HB2 SER 129 4.217 -18.242 8.387 4 HB3 SER 129 HB3 SER 129 2.709 -18.488 7.503 5 HG SER 129 HG SER 129 4.234 -16.756 6.155 No H/Q in entry = 5 In of MODEL 10 1 HA2 GLY -4 HA2 GLY -4 -13.003 14.124 -17.956 2 HA3 GLY -4 HA3 GLY -4 -11.364 13.605 -17.587 3 H1 GLY -4 H1 GLY -4 -12.234 12.647 -19.648 4 H2 GLY -4 H2 GLY -4 -13.450 11.864 -18.772 No H/Q in entry = 4 In of MODEL 10 1 H SER -3 H SER -3 -11.660 11.171 -16.469 2 HA SER -3 HA SER -3 -13.653 11.456 -14.349 3 HB2 SER -3 HB2 SER -3 -12.924 9.078 -13.804 4 HB3 SER -3 HB3 SER -3 -13.728 9.302 -15.357 5 HG SER -3 HG SER -3 -10.919 9.144 -14.926 No H/Q in entry = 5 In of MODEL 10 1 HA PRO -2 HA PRO -2 -10.253 13.116 -11.854 2 HB2 PRO -2 HB2 PRO -2 -12.442 13.155 -9.855 3 HB3 PRO -2 HB3 PRO -2 -11.366 14.459 -10.366 4 HG2 PRO -2 HG2 PRO -2 -13.922 14.426 -11.120 5 HG3 PRO -2 HG3 PRO -2 -12.647 14.966 -12.230 6 HD2 PRO -2 HD2 PRO -2 -14.093 12.346 -12.131 7 HD3 PRO -2 HD3 PRO -2 -13.619 13.318 -13.540 No H/Q in entry = 7 In of MODEL 10 1 H GLU -1 H GLU -1 -9.015 12.248 -10.230 2 HA GLU -1 HA GLU -1 -8.159 10.744 -8.777 3 HB2 GLU -1 HB2 GLU -1 -10.986 9.697 -8.597 4 HB3 GLU -1 HB3 GLU -1 -9.654 9.159 -7.583 5 HG2 GLU -1 HG2 GLU -1 -9.438 11.331 -6.605 6 HG3 GLU -1 HG3 GLU -1 -10.616 12.004 -7.732 No H/Q in entry = 6 In of MODEL 10 1 H PHE 0 H PHE 0 -10.356 9.313 -11.171 2 HA PHE 0 HA PHE 0 -8.719 6.926 -11.317 3 HB2 PHE 0 HB2 PHE 0 -11.179 6.773 -11.550 4 HB3 PHE 0 HB3 PHE 0 -11.084 7.729 -13.025 5 HD1 PHE 0 HD1 PHE 0 -9.619 4.636 -11.540 6 HD2 PHE 0 HD2 PHE 0 -11.029 6.611 -15.034 7 HE1 PHE 0 HE1 PHE 0 -9.264 2.579 -12.841 8 HE2 PHE 0 HE2 PHE 0 -10.677 4.558 -16.342 9 HZ PHE 0 HZ PHE 0 -9.793 2.538 -15.246 No H/Q in entry = 9 In of MODEL 10 1 H HIS 1 H HIS 1 -6.775 8.024 -11.906 2 HA HIS 1 HA HIS 1 -6.628 8.435 -14.819 3 HB2 HIS 1 HB2 HIS 1 -5.035 9.841 -12.665 4 HB3 HIS 1 HB3 HIS 1 -4.668 9.938 -14.382 5 HD1 HIS 1 HD1 HIS 1 -5.855 12.115 -12.102 6 HD2 HIS 1 HD2 HIS 1 -7.590 10.639 -15.578 7 HE1 HIS 1 HE1 HIS 1 -7.580 13.814 -12.770 8 HE2 HIS 1 HE2 HIS 1 -8.475 12.992 -14.972 No H/Q in entry = 8 In of MODEL 10 1 H HIS 2 H HIS 2 -4.149 8.173 -12.305 2 HA HIS 2 HA HIS 2 -3.521 5.462 -13.258 3 HB2 HIS 2 HB2 HIS 2 -1.536 7.632 -12.532 4 HB3 HIS 2 HB3 HIS 2 -1.109 5.939 -12.740 5 HD1 HIS 2 HD1 HIS 2 -0.793 5.092 -15.108 6 HD2 HIS 2 HD2 HIS 2 -2.263 8.976 -14.937 7 HE1 HIS 2 HE1 HIS 2 -0.685 5.960 -17.460 8 HE2 HIS 2 HE2 HIS 2 -1.753 8.238 -17.358 No H/Q in entry = 8 In of MODEL 10 1 H PHE 3 H PHE 3 -1.638 4.794 -11.380 2 HA PHE 3 HA PHE 3 -3.242 4.538 -9.016 3 HB2 PHE 3 HB2 PHE 3 -0.370 3.706 -9.499 4 HB3 PHE 3 HB3 PHE 3 -1.380 3.199 -8.148 5 HD1 PHE 3 HD1 PHE 3 -3.659 2.071 -8.852 6 HD2 PHE 3 HD2 PHE 3 -0.200 2.314 -11.320 7 HE1 PHE 3 HE1 PHE 3 -4.472 0.167 -10.178 8 HE2 PHE 3 HE2 PHE 3 -1.010 0.408 -12.651 9 HZ PHE 3 HZ PHE 3 -3.151 -0.666 -12.079 No H/Q in entry = 9 In of MODEL 10 1 H THR 4 H THR 4 -3.452 6.241 -7.730 2 HA THR 4 HA THR 4 -1.053 7.669 -6.864 3 HB THR 4 HB THR 4 -2.135 9.849 -7.024 4 HG1 THR 4 HG1 THR 4 -4.313 8.351 -8.096 5 HG21 THR 4 HG21 THR 4 -0.818 9.125 -8.948 6 HG22 THR 4 HG22 THR 4 -2.251 8.385 -9.659 7 HG23 THR 4 HG23 THR 4 -2.170 10.134 -9.455 No H/Q in entry = 7 In of MODEL 10 1 H LEU 5 H LEU 5 -1.488 8.940 -4.875 2 HA LEU 5 HA LEU 5 -2.941 7.284 -3.052 3 HB2 LEU 5 HB2 LEU 5 -1.536 9.906 -2.577 4 HB3 LEU 5 HB3 LEU 5 -2.138 8.831 -1.330 5 HG LEU 5 HG LEU 5 0.107 8.264 -3.259 6 HD11 LEU 5 HD11 LEU 5 0.009 8.737 -0.289 7 HD12 LEU 5 HD12 LEU 5 1.434 8.206 -1.179 8 HD13 LEU 5 HD13 LEU 5 0.729 9.789 -1.508 9 HD21 LEU 5 HD21 LEU 5 -1.086 6.516 -1.108 10 HD22 LEU 5 HD22 LEU 5 -1.146 6.224 -2.846 11 HD23 LEU 5 HD23 LEU 5 0.398 6.175 -1.995 No H/Q in entry = 11 In of MODEL 10 1 H GLU 6 H GLU 6 -3.608 10.306 -4.685 2 HA GLU 6 HA GLU 6 -5.922 11.016 -3.214 3 HB2 GLU 6 HB2 GLU 6 -5.469 11.236 -6.208 4 HB3 GLU 6 HB3 GLU 6 -6.667 12.125 -5.276 5 HG2 GLU 6 HG2 GLU 6 -4.927 13.324 -4.109 6 HG3 GLU 6 HG3 GLU 6 -3.687 12.369 -4.921 No H/Q in entry = 6 In of MODEL 10 1 H SER 7 H SER 7 -5.519 8.840 -6.078 2 HA SER 7 HA SER 7 -8.089 7.970 -6.330 3 HB2 SER 7 HB2 SER 7 -5.694 6.140 -6.527 4 HB3 SER 7 HB3 SER 7 -7.219 6.015 -7.406 5 HG SER 7 HG SER 7 -6.681 7.753 -8.626 No H/Q in entry = 5 In of MODEL 10 1 H SER 8 H SER 8 -5.950 7.224 -3.670 2 HA SER 8 HA SER 8 -7.585 4.926 -2.941 3 HB2 SER 8 HB2 SER 8 -4.952 5.817 -1.785 4 HB3 SER 8 HB3 SER 8 -5.817 4.321 -1.390 5 HG SER 8 HG SER 8 -4.964 5.023 -4.013 No H/Q in entry = 5 In of MODEL 10 1 H LEU 9 H LEU 9 -7.335 8.227 -2.013 2 HA LEU 9 HA LEU 9 -7.199 8.164 0.695 3 HB2 LEU 9 HB2 LEU 9 -8.733 10.044 -1.046 4 HB3 LEU 9 HB3 LEU 9 -8.349 10.334 0.644 5 HG LEU 9 HG LEU 9 -6.296 9.828 -1.495 6 HD11 LEU 9 HD11 LEU 9 -7.256 12.405 -0.302 7 HD12 LEU 9 HD12 LEU 9 -5.831 12.222 -1.327 8 HD13 LEU 9 HD13 LEU 9 -7.428 11.853 -1.972 9 HD21 LEU 9 HD21 LEU 9 -6.053 10.723 1.374 10 HD22 LEU 9 HD22 LEU 9 -5.518 9.182 0.693 11 HD23 LEU 9 HD23 LEU 9 -4.725 10.689 0.210 No H/Q in entry = 11 In of MODEL 10 1 H ASP 10 H ASP 10 -10.164 7.737 -1.107 2 HA ASP 10 HA ASP 10 -11.594 7.403 1.419 3 HB2 ASP 10 HB2 ASP 10 -12.561 7.662 -1.425 4 HB3 ASP 10 HB3 ASP 10 -13.627 7.327 -0.066 No H/Q in entry = 4 In of MODEL 10 1 H THR 11 H THR 11 -9.839 5.458 -0.500 2 HA THR 11 HA THR 11 -11.622 3.194 0.010 3 HB THR 11 HB THR 11 -10.577 2.072 -1.994 4 HG1 THR 11 HG1 THR 11 -9.920 3.999 -3.525 5 HG21 THR 11 HG21 THR 11 -12.196 4.570 -2.502 6 HG22 THR 11 HG22 THR 11 -12.017 3.217 -3.617 7 HG23 THR 11 HG23 THR 11 -12.839 2.985 -2.076 No H/Q in entry = 7 In of MODEL 10 1 H HIS 12 H HIS 12 -8.512 2.790 -1.430 2 HA HIS 12 HA HIS 12 -7.742 0.913 0.472 3 HB2 HIS 12 HB2 HIS 12 -5.856 2.367 -1.376 4 HB3 HIS 12 HB3 HIS 12 -5.623 0.775 -0.663 5 HD1 HIS 12 HD1 HIS 12 -7.942 -0.834 -1.370 6 HD2 HIS 12 HD2 HIS 12 -6.526 2.093 -3.961 7 HE1 HIS 12 HE1 HIS 12 -8.838 -1.446 -3.635 8 HE2 HIS 12 HE2 HIS 12 -7.849 0.255 -5.215 No H/Q in entry = 8 In of MODEL 10 1 H LEU 13 H LEU 13 -6.969 4.386 0.326 2 HA LEU 13 HA LEU 13 -5.155 3.944 2.604 3 HB2 LEU 13 HB2 LEU 13 -5.103 5.874 0.356 4 HB3 LEU 13 HB3 LEU 13 -4.502 6.417 1.909 5 HG LEU 13 HG LEU 13 -2.643 5.634 0.605 6 HD11 LEU 13 HD11 LEU 13 -2.664 5.131 3.028 7 HD12 LEU 13 HD12 LEU 13 -3.285 3.525 2.652 8 HD13 LEU 13 HD13 LEU 13 -1.691 4.007 2.081 9 HD21 LEU 13 HD21 LEU 13 -4.163 3.050 0.324 10 HD22 LEU 13 HD22 LEU 13 -3.761 4.187 -0.963 11 HD23 LEU 13 HD23 LEU 13 -2.481 3.291 -0.144 No H/Q in entry = 11 In of MODEL 10 1 H LYS 14 H LYS 14 -8.058 4.239 2.653 2 HA LYS 14 HA LYS 14 -8.778 6.823 3.563 3 HB2 LYS 14 HB2 LYS 14 -10.927 5.898 3.998 4 HB3 LYS 14 HB3 LYS 14 -10.325 5.157 2.527 5 HG2 LYS 14 HG2 LYS 14 -9.578 3.216 3.974 6 HG3 LYS 14 HG3 LYS 14 -10.544 3.944 5.261 7 HD2 LYS 14 HD2 LYS 14 -11.517 2.986 2.571 8 HD3 LYS 14 HD3 LYS 14 -11.862 2.270 4.143 9 HE2 LYS 14 HE2 LYS 14 -13.060 4.303 4.797 10 HE3 LYS 14 HE3 LYS 14 -12.714 5.011 3.221 11 HZ1 LYS 14 HZ1 LYS 14 -14.293 2.537 3.662 12 HZ2 LYS 14 HZ2 LYS 14 -14.948 4.064 3.357 13 HZ3 LYS 14 HZ3 LYS 14 -14.011 3.295 2.176 No H/Q in entry = 13 In of MODEL 10 1 H TRP 15 H TRP 15 -7.313 4.162 5.087 2 HA TRP 15 HA TRP 15 -8.235 4.646 7.753 3 HB2 TRP 15 HB2 TRP 15 -6.467 3.010 8.379 4 HB3 TRP 15 HB3 TRP 15 -7.544 2.409 7.123 5 HD1 TRP 15 HD1 TRP 15 -6.545 2.162 4.659 6 HE1 TRP 15 HE1 TRP 15 -4.127 1.965 3.796 7 HE3 TRP 15 HE3 TRP 15 -4.066 3.778 8.825 8 HZ2 TRP 15 HZ2 TRP 15 -1.511 2.435 4.762 9 HZ3 TRP 15 HZ3 TRP 15 -1.610 3.874 8.775 10 HH2 TRP 15 HH2 TRP 15 -0.358 3.216 6.786 No H/Q in entry = 10 In of MODEL 10 1 H LEU 16 H LEU 16 -6.088 6.243 5.746 2 HA LEU 16 HA LEU 16 -4.267 7.168 7.767 3 HB2 LEU 16 HB2 LEU 16 -4.975 8.305 5.051 4 HB3 LEU 16 HB3 LEU 16 -3.707 8.929 6.084 5 HG LEU 16 HG LEU 16 -3.714 6.131 4.936 6 HD11 LEU 16 HD11 LEU 16 -2.282 8.607 3.979 7 HD12 LEU 16 HD12 LEU 16 -2.050 6.975 3.355 8 HD13 LEU 16 HD13 LEU 16 -3.603 7.783 3.150 9 HD21 LEU 16 HD21 LEU 16 -1.566 7.759 6.296 10 HD22 LEU 16 HD22 LEU 16 -2.342 6.306 6.925 11 HD23 LEU 16 HD23 LEU 16 -1.303 6.207 5.499 No H/Q in entry = 11 In of MODEL 10 1 H SER 17 H SER 17 -4.385 9.021 8.928 2 HA SER 17 HA SER 17 -6.979 10.121 9.390 3 HB2 SER 17 HB2 SER 17 -5.212 9.937 11.155 4 HB3 SER 17 HB3 SER 17 -4.323 11.211 10.329 5 HG SER 17 HG SER 17 -6.778 11.354 11.699 No H/Q in entry = 5 In of MODEL 10 1 H GLN 18 H GLN 18 -7.495 12.507 9.128 2 HA GLN 18 HA GLN 18 -7.144 13.295 6.483 3 HB2 GLN 18 HB2 GLN 18 -7.791 14.997 8.897 4 HB3 GLN 18 HB3 GLN 18 -7.883 15.576 7.240 5 HG2 GLN 18 HG2 GLN 18 -9.485 13.326 8.431 6 HG3 GLN 18 HG3 GLN 18 -10.072 14.944 8.044 7 HE21 GLN 18 HE21 GLN 18 -10.378 15.523 5.891 8 HE22 GLN 18 HE22 GLN 18 -10.458 14.343 4.625 No H/Q in entry = 8 In of MODEL 10 1 H GLU 19 H GLU 19 -5.385 14.401 9.354 2 HA GLU 19 HA GLU 19 -3.659 16.167 8.095 3 HB2 GLU 19 HB2 GLU 19 -3.382 14.445 10.553 4 HB3 GLU 19 HB3 GLU 19 -2.187 15.624 10.080 5 HG2 GLU 19 HG2 GLU 19 -3.775 17.414 10.289 6 HG3 GLU 19 HG3 GLU 19 -5.064 16.258 10.622 No H/Q in entry = 6 In of MODEL 10 1 H GLN 20 H GLN 20 -3.545 12.659 8.387 2 HA GLN 20 HA GLN 20 -0.885 12.427 7.337 3 HB2 GLN 20 HB2 GLN 20 -3.091 10.356 7.517 4 HB3 GLN 20 HB3 GLN 20 -1.407 10.020 7.139 5 HG2 GLN 20 HG2 GLN 20 -0.744 10.806 9.343 6 HG3 GLN 20 HG3 GLN 20 -2.423 11.180 9.724 7 HE21 GLN 20 HE21 GLN 20 -0.074 8.691 9.307 8 HE22 GLN 20 HE22 GLN 20 -1.015 7.398 9.962 No H/Q in entry = 8 In of MODEL 10 1 H LYS 21 H LYS 21 -4.170 11.999 5.981 2 HA LYS 21 HA LYS 21 -3.478 11.372 3.359 3 HB2 LYS 21 HB2 LYS 21 -5.748 13.136 4.311 4 HB3 LYS 21 HB3 LYS 21 -5.604 12.493 2.684 5 HG2 LYS 21 HG2 LYS 21 -5.656 10.190 3.714 6 HG3 LYS 21 HG3 LYS 21 -6.104 10.978 5.231 7 HD2 LYS 21 HD2 LYS 21 -8.043 11.992 4.124 8 HD3 LYS 21 HD3 LYS 21 -7.598 11.201 2.617 9 HE2 LYS 21 HE2 LYS 21 -9.282 9.854 3.515 10 HE3 LYS 21 HE3 LYS 21 -7.787 9.010 3.908 11 HZ1 LYS 21 HZ1 LYS 21 -9.158 10.834 5.802 12 HZ2 LYS 21 HZ2 LYS 21 -9.460 9.170 5.743 13 HZ3 LYS 21 HZ3 LYS 21 -7.914 9.733 6.140 No H/Q in entry = 13 In of MODEL 10 1 H ASP 22 H ASP 22 -3.954 14.524 4.843 2 HA ASP 22 HA ASP 22 -3.189 16.134 2.662 3 HB2 ASP 22 HB2 ASP 22 -4.444 17.038 4.520 4 HB3 ASP 22 HB3 ASP 22 -3.162 16.618 5.644 No H/Q in entry = 4 In of MODEL 10 1 H GLU 23 H GLU 23 -1.266 14.790 5.381 2 HA GLU 23 HA GLU 23 1.182 15.935 4.700 3 HB2 GLU 23 HB2 GLU 23 0.376 14.355 6.691 4 HB3 GLU 23 HB3 GLU 23 1.107 13.125 5.661 5 HG2 GLU 23 HG2 GLU 23 3.176 14.290 5.649 6 HG3 GLU 23 HG3 GLU 23 2.453 15.641 6.510 No H/Q in entry = 6 In of MODEL 10 1 H LEU 24 H LEU 24 -0.233 12.838 3.596 2 HA LEU 24 HA LEU 24 1.923 12.152 1.912 3 HB2 LEU 24 HB2 LEU 24 -0.975 11.356 2.021 4 HB3 LEU 24 HB3 LEU 24 0.091 10.732 0.782 5 HG LEU 24 HG LEU 24 -0.348 9.291 2.859 6 HD11 LEU 24 HD11 LEU 24 2.470 9.850 1.977 7 HD12 LEU 24 HD12 LEU 24 1.946 8.431 2.889 8 HD13 LEU 24 HD13 LEU 24 1.342 8.703 1.252 9 HD21 LEU 24 HD21 LEU 24 1.491 11.339 4.025 10 HD22 LEU 24 HD22 LEU 24 -0.034 10.732 4.665 11 HD23 LEU 24 HD23 LEU 24 1.393 9.696 4.647 No H/Q in entry = 11 In of MODEL 10 1 H LEU 25 H LEU 25 -1.058 13.969 1.373 2 HA LEU 25 HA LEU 25 -0.803 14.333 -1.398 3 HB2 LEU 25 HB2 LEU 25 -2.129 16.032 0.708 4 HB3 LEU 25 HB3 LEU 25 -2.252 16.351 -1.010 5 HG LEU 25 HG LEU 25 -3.209 13.844 0.371 6 HD11 LEU 25 HD11 LEU 25 -4.721 16.202 -0.737 7 HD12 LEU 25 HD12 LEU 25 -5.453 14.697 -0.178 8 HD13 LEU 25 HD13 LEU 25 -4.590 15.734 0.958 9 HD21 LEU 25 HD21 LEU 25 -3.448 14.749 -2.494 10 HD22 LEU 25 HD22 LEU 25 -2.505 13.385 -1.898 11 HD23 LEU 25 HD23 LEU 25 -4.263 13.351 -1.797 No H/Q in entry = 11 In of MODEL 10 1 H LYS 26 H LYS 26 0.411 16.244 1.325 2 HA LYS 26 HA LYS 26 1.550 18.322 -0.232 3 HB2 LYS 26 HB2 LYS 26 2.242 17.309 2.528 4 HB3 LYS 26 HB3 LYS 26 2.955 18.742 1.805 5 HG2 LYS 26 HG2 LYS 26 0.032 18.341 2.392 6 HG3 LYS 26 HG3 LYS 26 1.157 19.312 3.341 7 HD2 LYS 26 HD2 LYS 26 1.555 20.717 1.334 8 HD3 LYS 26 HD3 LYS 26 0.313 19.793 0.486 9 HE2 LYS 26 HE2 LYS 26 -1.338 20.484 2.155 10 HE3 LYS 26 HE3 LYS 26 -0.096 21.407 2.998 11 HZ1 LYS 26 HZ1 LYS 26 -1.029 21.903 0.225 12 HZ2 LYS 26 HZ2 LYS 26 -1.444 22.821 1.581 13 HZ3 LYS 26 HZ3 LYS 26 0.156 22.791 1.040 No H/Q in entry = 13 In of MODEL 10 1 H MET 27 H MET 27 2.912 15.357 1.142 2 HA MET 27 HA MET 27 5.453 15.544 0.171 3 HB2 MET 27 HB2 MET 27 3.676 13.141 0.532 4 HB3 MET 27 HB3 MET 27 5.366 12.990 0.067 5 HG2 MET 27 HG2 MET 27 4.759 14.638 2.444 6 HG3 MET 27 HG3 MET 27 4.548 12.897 2.586 7 HE1 MET 27 HE1 MET 27 6.402 11.146 2.288 8 HE2 MET 27 HE2 MET 27 6.803 11.738 0.676 9 HE3 MET 27 HE3 MET 27 8.079 11.501 1.872 No H/Q in entry = 9 In of MODEL 10 1 H LYS 28 H LYS 28 2.715 13.958 -1.495 2 HA LYS 28 HA LYS 28 4.077 13.308 -3.859 3 HB2 LYS 28 HB2 LYS 28 1.782 12.529 -2.993 4 HB3 LYS 28 HB3 LYS 28 1.151 13.995 -3.727 5 HG2 LYS 28 HG2 LYS 28 0.827 12.211 -5.263 6 HG3 LYS 28 HG3 LYS 28 2.114 13.237 -5.899 7 HD2 LYS 28 HD2 LYS 28 3.793 11.684 -5.112 8 HD3 LYS 28 HD3 LYS 28 2.559 10.694 -4.339 9 HE2 LYS 28 HE2 LYS 28 3.276 9.711 -6.451 10 HE3 LYS 28 HE3 LYS 28 1.581 10.190 -6.515 11 HZ1 LYS 28 HZ1 LYS 28 3.838 11.769 -7.623 12 HZ2 LYS 28 HZ2 LYS 28 2.803 10.790 -8.527 13 HZ3 LYS 28 HZ3 LYS 28 2.197 12.153 -7.743 No H/Q in entry = 13 In of MODEL 10 1 H LYS 29 H LYS 29 2.211 16.164 -2.939 2 HA LYS 29 HA LYS 29 2.293 17.484 -5.409 3 HB2 LYS 29 HB2 LYS 29 0.757 18.130 -3.632 4 HB3 LYS 29 HB3 LYS 29 2.104 18.643 -2.627 5 HG2 LYS 29 HG2 LYS 29 1.111 20.590 -3.557 6 HG3 LYS 29 HG3 LYS 29 2.661 20.347 -4.360 7 HD2 LYS 29 HD2 LYS 29 1.039 20.956 -6.016 8 HD3 LYS 29 HD3 LYS 29 1.433 19.251 -6.236 9 HE2 LYS 29 HE2 LYS 29 -0.598 18.607 -5.068 10 HE3 LYS 29 HE3 LYS 29 -0.977 20.300 -4.760 11 HZ1 LYS 29 HZ1 LYS 29 -0.790 19.042 -7.440 12 HZ2 LYS 29 HZ2 LYS 29 -2.222 19.420 -6.633 13 HZ3 LYS 29 HZ3 LYS 29 -1.185 20.655 -7.130 No H/Q in entry = 13 In of MODEL 10 1 H ASP 30 H ASP 30 4.523 17.668 -2.640 2 HA ASP 30 HA ASP 30 5.971 19.829 -3.834 3 HB2 ASP 30 HB2 ASP 30 6.276 18.240 -1.320 4 HB3 ASP 30 HB3 ASP 30 7.650 19.182 -1.893 No H/Q in entry = 4 In of MODEL 10 1 H GLY 31 H GLY 31 5.862 16.801 -4.769 2 HA2 GLY 31 HA2 GLY 31 8.338 17.192 -6.224 3 HA3 GLY 31 HA3 GLY 31 7.072 16.037 -6.606 No H/Q in entry = 3 In of MODEL 10 1 H LYS 32 H LYS 32 7.179 15.255 -3.646 2 HA LYS 32 HA LYS 32 9.647 13.886 -3.350 3 HB2 LYS 32 HB2 LYS 32 6.937 13.326 -2.121 4 HB3 LYS 32 HB3 LYS 32 8.426 12.524 -1.653 5 HG2 LYS 32 HG2 LYS 32 7.820 15.460 -1.372 6 HG3 LYS 32 HG3 LYS 32 7.865 14.266 -0.073 7 HD2 LYS 32 HD2 LYS 32 10.256 13.864 -0.592 8 HD3 LYS 32 HD3 LYS 32 10.180 15.157 -1.791 9 HE2 LYS 32 HE2 LYS 32 11.103 16.067 0.216 10 HE3 LYS 32 HE3 LYS 32 9.471 16.706 0.025 11 HZ1 LYS 32 HZ1 LYS 32 10.206 14.427 1.784 12 HZ2 LYS 32 HZ2 LYS 32 9.955 16.016 2.308 13 HZ3 LYS 32 HZ3 LYS 32 8.675 15.134 1.645 No H/Q in entry = 13 In of MODEL 10 1 H ALA 33 H ALA 33 10.057 11.728 -3.712 2 HA ALA 33 HA ALA 33 8.928 10.701 -6.137 3 HB1 ALA 33 HB1 ALA 33 11.303 10.398 -5.590 4 HB2 ALA 33 HB2 ALA 33 10.491 8.860 -5.881 5 HB3 ALA 33 HB3 ALA 33 10.849 9.371 -4.231 No H/Q in entry = 5 In of MODEL 10 1 H LYS 34 H LYS 34 7.729 8.785 -6.408 2 HA LYS 34 HA LYS 34 5.657 8.278 -4.656 3 HB2 LYS 34 HB2 LYS 34 5.581 7.541 -6.945 4 HB3 LYS 34 HB3 LYS 34 6.950 6.471 -6.695 5 HG2 LYS 34 HG2 LYS 34 5.650 5.023 -5.307 6 HG3 LYS 34 HG3 LYS 34 4.290 6.151 -5.331 7 HD2 LYS 34 HD2 LYS 34 3.804 5.701 -7.570 8 HD3 LYS 34 HD3 LYS 34 5.398 5.013 -7.874 9 HE2 LYS 34 HE2 LYS 34 3.332 3.773 -6.065 10 HE3 LYS 34 HE3 LYS 34 3.561 3.332 -7.758 11 HZ1 LYS 34 HZ1 LYS 34 5.851 2.712 -7.233 12 HZ2 LYS 34 HZ2 LYS 34 5.600 3.098 -5.602 13 HZ3 LYS 34 HZ3 LYS 34 4.747 1.819 -6.309 No H/Q in entry = 13 In of MODEL 10 1 H LYS 35 H LYS 35 8.849 6.795 -4.790 2 HA LYS 35 HA LYS 35 8.427 4.735 -2.935 3 HB2 LYS 35 HB2 LYS 35 10.403 5.252 -4.556 4 HB3 LYS 35 HB3 LYS 35 11.057 6.138 -3.189 5 HG2 LYS 35 HG2 LYS 35 11.936 3.859 -3.349 6 HG3 LYS 35 HG3 LYS 35 11.067 4.138 -1.840 7 HD2 LYS 35 HD2 LYS 35 10.592 1.937 -2.969 8 HD3 LYS 35 HD3 LYS 35 9.172 2.918 -2.612 9 HE2 LYS 35 HE2 LYS 35 9.019 1.944 -4.841 10 HE3 LYS 35 HE3 LYS 35 9.125 3.701 -4.927 11 HZ1 LYS 35 HZ1 LYS 35 11.490 3.471 -5.439 12 HZ2 LYS 35 HZ2 LYS 35 11.341 1.786 -5.414 13 HZ3 LYS 35 HZ3 LYS 35 10.516 2.695 -6.586 No H/Q in entry = 13 In of MODEL 10 1 H GLU 36 H GLU 36 8.692 8.126 -2.438 2 HA GLU 36 HA GLU 36 9.561 7.878 0.321 3 HB2 GLU 36 HB2 GLU 36 8.692 10.340 -1.206 4 HB3 GLU 36 HB3 GLU 36 9.538 10.305 0.338 5 HG2 GLU 36 HG2 GLU 36 11.431 9.184 -0.780 6 HG3 GLU 36 HG3 GLU 36 10.594 9.369 -2.308 No H/Q in entry = 6 In of MODEL 10 1 H LEU 37 H LEU 37 6.729 8.321 -1.585 2 HA LEU 37 HA LEU 37 4.924 8.688 0.566 3 HB2 LEU 37 HB2 LEU 37 4.637 7.728 -2.270 4 HB3 LEU 37 HB3 LEU 37 3.273 7.892 -1.190 5 HG LEU 37 HG LEU 37 3.467 9.787 -2.677 6 HD11 LEU 37 HD11 LEU 37 2.529 10.113 -0.444 7 HD12 LEU 37 HD12 LEU 37 4.134 10.542 0.146 8 HD13 LEU 37 HD13 LEU 37 3.330 11.567 -1.043 9 HD21 LEU 37 HD21 LEU 37 6.122 10.320 -1.403 10 HD22 LEU 37 HD22 LEU 37 5.840 9.844 -3.078 11 HD23 LEU 37 HD23 LEU 37 5.270 11.410 -2.498 No H/Q in entry = 11 In of MODEL 10 1 H GLU 38 H GLU 38 6.067 5.907 -1.274 2 HA GLU 38 HA GLU 38 4.566 3.941 0.101 3 HB2 GLU 38 HB2 GLU 38 7.134 3.748 -1.472 4 HB3 GLU 38 HB3 GLU 38 6.254 2.353 -0.856 5 HG2 GLU 38 HG2 GLU 38 4.340 2.905 -2.195 6 HG3 GLU 38 HG3 GLU 38 5.101 4.401 -2.731 No H/Q in entry = 6 In of MODEL 10 1 H ALA 39 H ALA 39 7.241 5.785 0.990 2 HA ALA 39 HA ALA 39 8.165 3.911 3.013 3 HB1 ALA 39 HB1 ALA 39 9.078 6.729 2.445 4 HB2 ALA 39 HB2 ALA 39 9.864 5.564 3.509 5 HB3 ALA 39 HB3 ALA 39 9.796 5.265 1.774 No H/Q in entry = 5 In of MODEL 10 1 H LYS 40 H LYS 40 6.596 7.051 2.840 2 HA LYS 40 HA LYS 40 6.192 7.522 5.559 3 HB2 LYS 40 HB2 LYS 40 5.789 9.179 3.785 4 HB3 LYS 40 HB3 LYS 40 4.429 8.230 3.205 5 HG2 LYS 40 HG2 LYS 40 3.513 9.983 4.465 6 HG3 LYS 40 HG3 LYS 40 3.395 8.545 5.479 7 HD2 LYS 40 HD2 LYS 40 4.175 10.180 6.937 8 HD3 LYS 40 HD3 LYS 40 5.637 9.321 6.470 9 HE2 LYS 40 HE2 LYS 40 6.296 11.036 4.993 10 HE3 LYS 40 HE3 LYS 40 4.708 11.796 5.044 11 HZ1 LYS 40 HZ1 LYS 40 6.559 11.615 7.355 12 HZ2 LYS 40 HZ2 LYS 40 6.382 12.976 6.373 13 HZ3 LYS 40 HZ3 LYS 40 5.078 12.438 7.310 No H/Q in entry = 13 In of MODEL 10 1 H ILE 41 H ILE 41 4.079 5.884 3.191 2 HA ILE 41 HA ILE 41 2.037 5.274 5.021 3 HB ILE 41 HB ILE 41 2.757 4.006 2.384 4 HG12 ILE 41 HG12 ILE 41 0.621 6.017 3.114 5 HG13 ILE 41 HG13 ILE 41 2.171 6.426 2.389 6 HG21 ILE 41 HG21 ILE 41 1.429 2.462 3.721 7 HG22 ILE 41 HG22 ILE 41 0.234 3.726 4.011 8 HG23 ILE 41 HG23 ILE 41 0.481 3.104 2.378 9 HD11 ILE 41 HD11 ILE 41 0.077 4.677 1.144 10 HD12 ILE 41 HD12 ILE 41 0.377 6.370 0.754 11 HD13 ILE 41 HD13 ILE 41 1.611 5.154 0.419 No H/Q in entry = 11 In of MODEL 10 1 H LEU 42 H LEU 42 4.808 3.339 3.873 2 HA LEU 42 HA LEU 42 4.118 0.982 5.239 3 HB2 LEU 42 HB2 LEU 42 6.780 2.057 4.359 4 HB3 LEU 42 HB3 LEU 42 6.623 0.518 5.172 5 HG LEU 42 HG LEU 42 5.546 1.286 2.467 6 HD11 LEU 42 HD11 LEU 42 7.898 0.702 2.540 7 HD12 LEU 42 HD12 LEU 42 7.511 -0.807 3.368 8 HD13 LEU 42 HD13 LEU 42 6.971 -0.547 1.711 9 HD21 LEU 42 HD21 LEU 42 4.995 -1.173 4.122 10 HD22 LEU 42 HD22 LEU 42 3.824 -0.048 3.434 11 HD23 LEU 42 HD23 LEU 42 4.759 -1.105 2.374 No H/Q in entry = 11 In of MODEL 10 1 H HIS 43 H HIS 43 5.917 3.828 6.228 2 HA HIS 43 HA HIS 43 6.752 2.921 8.757 3 HB2 HIS 43 HB2 HIS 43 7.538 5.018 7.623 4 HB3 HIS 43 HB3 HIS 43 5.979 5.748 7.985 5 HD1 HIS 43 HD1 HIS 43 6.199 7.295 9.898 6 HD2 HIS 43 HD2 HIS 43 8.636 3.956 10.321 7 HE1 HIS 43 HE1 HIS 43 7.394 7.603 12.083 8 HE2 HIS 43 HE2 HIS 43 8.731 5.497 12.395 No H/Q in entry = 8 In of MODEL 10 1 H TYR 44 H TYR 44 3.782 4.711 7.791 2 HA TYR 44 HA TYR 44 2.518 4.697 10.289 3 HB2 TYR 44 HB2 TYR 44 1.359 4.524 7.503 4 HB3 TYR 44 HB3 TYR 44 0.393 4.778 8.950 5 HD1 TYR 44 HD1 TYR 44 2.468 6.598 10.307 6 HD2 TYR 44 HD2 TYR 44 0.744 6.562 6.429 7 HE1 TYR 44 HE1 TYR 44 2.879 9.005 10.111 8 HE2 TYR 44 HE2 TYR 44 1.155 8.963 6.214 9 HH TYR 44 HH TYR 44 1.504 10.932 7.714 No H/Q in entry = 9 In of MODEL 10 1 H TYR 45 H TYR 45 2.374 2.449 7.608 2 HA TYR 45 HA TYR 45 0.521 0.629 8.464 3 HB2 TYR 45 HB2 TYR 45 1.483 0.713 6.212 4 HB3 TYR 45 HB3 TYR 45 3.037 0.192 6.844 5 HD1 TYR 45 HD1 TYR 45 -0.489 -0.949 6.952 6 HD2 TYR 45 HD2 TYR 45 3.594 -1.978 6.432 7 HE1 TYR 45 HE1 TYR 45 -1.143 -3.275 6.568 8 HE2 TYR 45 HE2 TYR 45 2.967 -4.322 6.037 9 HH TYR 45 HH TYR 45 1.102 -5.837 6.505 No H/Q in entry = 9 In of MODEL 10 1 H ASP 46 H ASP 46 4.037 0.576 9.086 2 HA ASP 46 HA ASP 46 3.818 -1.919 10.485 3 HB2 ASP 46 HB2 ASP 46 5.860 -1.091 9.160 4 HB3 ASP 46 HB3 ASP 46 6.205 -0.062 10.544 No H/Q in entry = 4 In of MODEL 10 1 H GLU 47 H GLU 47 3.364 1.324 11.414 2 HA GLU 47 HA GLU 47 3.910 0.725 14.216 3 HB2 GLU 47 HB2 GLU 47 3.106 3.271 12.821 4 HB3 GLU 47 HB3 GLU 47 3.269 3.129 14.562 5 HG2 GLU 47 HG2 GLU 47 5.649 2.396 14.151 6 HG3 GLU 47 HG3 GLU 47 5.411 2.899 12.476 No H/Q in entry = 6 In of MODEL 10 1 H LEU 48 H LEU 48 1.429 0.186 12.150 2 HA LEU 48 HA LEU 48 -0.791 1.301 13.396 3 HB2 LEU 48 HB2 LEU 48 -0.395 -0.943 11.475 4 HB3 LEU 48 HB3 LEU 48 -1.981 -0.617 12.145 5 HG LEU 48 HG LEU 48 -0.318 1.312 10.528 6 HD11 LEU 48 HD11 LEU 48 -1.226 -0.532 9.232 7 HD12 LEU 48 HD12 LEU 48 -2.828 -0.213 9.899 8 HD13 LEU 48 HD13 LEU 48 -2.056 0.978 8.852 9 HD21 LEU 48 HD21 LEU 48 -3.082 1.554 11.704 10 HD22 LEU 48 HD22 LEU 48 -1.661 2.497 12.154 11 HD23 LEU 48 HD23 LEU 48 -2.369 2.683 10.551 No H/Q in entry = 11 In of MODEL 10 1 H GLU 49 H GLU 49 -2.279 0.542 14.603 2 HA GLU 49 HA GLU 49 -1.722 -1.261 16.708 3 HB2 GLU 49 HB2 GLU 49 -4.390 -0.156 15.805 4 HB3 GLU 49 HB3 GLU 49 -4.053 -0.885 17.367 5 HG2 GLU 49 HG2 GLU 49 -2.816 1.643 16.308 6 HG3 GLU 49 HG3 GLU 49 -4.121 1.548 17.488 No H/Q in entry = 6 In of MODEL 10 1 H GLY 50 H GLY 50 -3.631 -2.964 17.203 2 HA2 GLY 50 HA2 GLY 50 -4.274 -5.116 16.762 3 HA3 GLY 50 HA3 GLY 50 -2.971 -5.144 15.590 No H/Q in entry = 3 In of MODEL 10 1 H ASP 51 H ASP 51 -6.245 -3.725 15.870 2 HA ASP 51 HA ASP 51 -7.120 -5.249 13.590 3 HB2 ASP 51 HB2 ASP 51 -8.528 -3.109 15.204 4 HB3 ASP 51 HB3 ASP 51 -9.290 -4.079 13.948 No H/Q in entry = 4 In of MODEL 10 1 H ALA 52 H ALA 52 -6.093 -1.965 14.204 2 HA ALA 52 HA ALA 52 -6.906 -0.782 11.759 3 HB1 ALA 52 HB1 ALA 52 -4.446 -0.165 13.409 4 HB2 ALA 52 HB2 ALA 52 -5.180 0.878 12.190 5 HB3 ALA 52 HB3 ALA 52 -6.051 0.514 13.680 No H/Q in entry = 5 In of MODEL 10 1 H LYS 53 H LYS 53 -4.003 -2.562 12.699 2 HA LYS 53 HA LYS 53 -2.560 -2.430 10.329 3 HB2 LYS 53 HB2 LYS 53 -2.392 -3.842 12.751 4 HB3 LYS 53 HB3 LYS 53 -2.456 -5.081 11.511 5 HG2 LYS 53 HG2 LYS 53 -0.457 -2.843 11.701 6 HG3 LYS 53 HG3 LYS 53 -0.171 -4.546 12.046 7 HD2 LYS 53 HD2 LYS 53 -0.768 -5.041 9.666 8 HD3 LYS 53 HD3 LYS 53 -0.815 -3.300 9.378 9 HE2 LYS 53 HE2 LYS 53 1.337 -4.080 8.703 10 HE3 LYS 53 HE3 LYS 53 1.544 -3.179 10.203 11 HZ1 LYS 53 HZ1 LYS 53 1.387 -6.138 9.995 12 HZ2 LYS 53 HZ2 LYS 53 2.813 -5.247 10.184 13 HZ3 LYS 53 HZ3 LYS 53 1.650 -5.253 11.411 No H/Q in entry = 13 In of MODEL 10 1 H LYS 54 H LYS 54 -4.823 -4.931 11.414 2 HA LYS 54 HA LYS 54 -4.847 -6.564 9.211 3 HB2 LYS 54 HB2 LYS 54 -7.179 -5.873 10.990 4 HB3 LYS 54 HB3 LYS 54 -7.091 -7.270 9.928 5 HG2 LYS 54 HG2 LYS 54 -5.126 -8.054 11.197 6 HG3 LYS 54 HG3 LYS 54 -5.351 -6.705 12.312 7 HD2 LYS 54 HD2 LYS 54 -7.594 -7.520 12.831 8 HD3 LYS 54 HD3 LYS 54 -7.353 -8.869 11.724 9 HE2 LYS 54 HE2 LYS 54 -5.660 -8.321 14.157 10 HE3 LYS 54 HE3 LYS 54 -7.000 -9.466 14.107 11 HZ1 LYS 54 HZ1 LYS 54 -4.576 -9.619 12.395 12 HZ2 LYS 54 HZ2 LYS 54 -4.831 -10.528 13.799 13 HZ3 LYS 54 HZ3 LYS 54 -5.839 -10.748 12.456 No H/Q in entry = 13 In of MODEL 10 1 H GLU 55 H GLU 55 -7.000 -3.811 9.872 2 HA GLU 55 HA GLU 55 -8.475 -4.016 7.507 3 HB2 GLU 55 HB2 GLU 55 -8.029 -1.895 9.589 4 HB3 GLU 55 HB3 GLU 55 -8.987 -1.530 8.170 5 HG2 GLU 55 HG2 GLU 55 -9.544 -3.783 10.072 6 HG3 GLU 55 HG3 GLU 55 -10.310 -2.201 10.137 No H/Q in entry = 6 In of MODEL 10 1 H ALA 56 H ALA 56 -5.756 -1.860 8.383 2 HA ALA 56 HA ALA 56 -5.705 -0.556 5.928 3 HB1 ALA 56 HB1 ALA 56 -3.407 0.091 6.476 4 HB2 ALA 56 HB2 ALA 56 -3.362 -1.128 7.751 5 HB3 ALA 56 HB3 ALA 56 -4.459 0.249 7.882 No H/Q in entry = 5 In of MODEL 10 1 H THR 57 H THR 57 -3.863 -3.370 7.037 2 HA THR 57 HA THR 57 -2.365 -3.926 4.815 3 HB THR 57 HB THR 57 -3.784 -5.951 6.555 4 HG1 THR 57 HG1 THR 57 -2.510 -4.783 7.894 5 HG21 THR 57 HG21 THR 57 -1.419 -6.186 4.700 6 HG22 THR 57 HG22 THR 57 -1.868 -7.409 5.891 7 HG23 THR 57 HG23 THR 57 -2.972 -7.012 4.575 No H/Q in entry = 7 In of MODEL 10 1 H GLU 58 H GLU 58 -5.689 -4.941 5.460 2 HA GLU 58 HA GLU 58 -6.020 -6.349 2.987 3 HB2 GLU 58 HB2 GLU 58 -7.913 -5.416 5.119 4 HB3 GLU 58 HB3 GLU 58 -8.491 -6.168 3.634 5 HG2 GLU 58 HG2 GLU 58 -7.043 -8.124 4.131 6 HG3 GLU 58 HG3 GLU 58 -6.637 -7.376 5.675 No H/Q in entry = 6 In of MODEL 10 1 H HIS 59 H HIS 59 -6.268 -2.997 3.856 2 HA HIS 59 HA HIS 59 -7.817 -2.330 1.508 3 HB2 HIS 59 HB2 HIS 59 -6.426 -0.698 3.615 4 HB3 HIS 59 HB3 HIS 59 -7.022 0.056 2.144 5 HD1 HIS 59 HD1 HIS 59 -9.748 -1.053 1.771 6 HD2 HIS 59 HD2 HIS 59 -8.232 -0.168 5.541 7 HE1 HIS 59 HE1 HIS 59 -11.754 -0.734 3.247 8 HE2 HIS 59 HE2 HIS 59 -10.820 -0.135 5.510 No H/Q in entry = 8 In of MODEL 10 1 H LEU 60 H LEU 60 -4.452 -1.850 2.575 2 HA LEU 60 HA LEU 60 -3.359 -1.050 0.186 3 HB2 LEU 60 HB2 LEU 60 -2.301 -2.558 2.541 4 HB3 LEU 60 HB3 LEU 60 -1.281 -2.275 1.141 5 HG LEU 60 HG LEU 60 -1.793 0.151 1.395 6 HD11 LEU 60 HD11 LEU 60 -3.784 0.006 2.682 7 HD12 LEU 60 HD12 LEU 60 -2.876 -0.660 4.042 8 HD13 LEU 60 HD13 LEU 60 -2.569 0.994 3.501 9 HD21 LEU 60 HD21 LEU 60 -0.355 -1.197 3.662 10 HD22 LEU 60 HD22 LEU 60 0.340 -0.749 2.105 11 HD23 LEU 60 HD23 LEU 60 -0.192 0.502 3.225 No H/Q in entry = 11 In of MODEL 10 1 H LYS 61 H LYS 61 -4.225 -4.291 1.281 2 HA LYS 61 HA LYS 61 -3.002 -5.774 -0.742 3 HB2 LYS 61 HB2 LYS 61 -5.489 -6.225 0.881 4 HB3 LYS 61 HB3 LYS 61 -5.045 -7.343 -0.402 5 HG2 LYS 61 HG2 LYS 61 -2.903 -7.755 0.698 6 HG3 LYS 61 HG3 LYS 61 -3.348 -6.633 1.985 7 HD2 LYS 61 HD2 LYS 61 -5.200 -8.059 2.631 8 HD3 LYS 61 HD3 LYS 61 -4.873 -9.140 1.277 9 HE2 LYS 61 HE2 LYS 61 -2.746 -9.755 2.218 10 HE3 LYS 61 HE3 LYS 61 -2.936 -8.581 3.514 11 HZ1 LYS 61 HZ1 LYS 61 -4.713 -10.917 3.078 12 HZ2 LYS 61 HZ2 LYS 61 -3.450 -10.868 4.196 13 HZ3 LYS 61 HZ3 LYS 61 -4.775 -9.840 4.380 No H/Q in entry = 13 In of MODEL 10 1 H GLY 62 H GLY 62 -6.330 -4.485 -0.664 2 HA2 GLY 62 HA2 GLY 62 -7.680 -3.743 -2.360 3 HA3 GLY 62 HA3 GLY 62 -7.036 -5.089 -3.288 No H/Q in entry = 3 In of MODEL 10 1 H GLY 63 H GLY 63 -5.310 -2.244 -2.031 2 HA2 GLY 63 HA2 GLY 63 -3.934 -0.752 -3.106 3 HA3 GLY 63 HA3 GLY 63 -5.078 -0.838 -4.442 No H/Q in entry = 3 In of MODEL 10 1 H CYS 64 H CYS 64 -2.875 -3.223 -3.002 2 HA CYS 64 HA CYS 64 -1.042 -3.315 -5.126 3 HB2 CYS 64 HB2 CYS 64 -0.483 -4.267 -2.979 4 HB3 CYS 64 HB3 CYS 64 -1.821 -5.405 -3.083 No H/Q in entry = 4 In of MODEL 10 1 H ARG 65 H ARG 65 -4.031 -5.053 -4.495 2 HA ARG 65 HA ARG 65 -4.007 -6.893 -6.557 3 HB2 ARG 65 HB2 ARG 65 -5.704 -6.951 -4.853 4 HB3 ARG 65 HB3 ARG 65 -6.311 -5.374 -5.331 5 HG2 ARG 65 HG2 ARG 65 -6.343 -7.320 -7.499 6 HG3 ARG 65 HG3 ARG 65 -7.327 -7.792 -6.111 7 HD2 ARG 65 HD2 ARG 65 -7.496 -5.163 -7.587 8 HD3 ARG 65 HD3 ARG 65 -8.631 -6.504 -7.736 9 HE ARG 65 HE ARG 65 -8.573 -5.911 -5.058 10 HH11 ARG 65 HH11 ARG 65 -9.365 -4.152 -7.985 11 HH12 ARG 65 HH12 ARG 65 -10.457 -3.073 -7.183 12 HH21 ARG 65 HH21 ARG 65 -10.011 -4.500 -4.013 13 HH22 ARG 65 HH22 ARG 65 -10.844 -3.284 -4.930 No H/Q in entry = 13 In of MODEL 10 1 H GLU 66 H GLU 66 -5.140 -3.505 -6.642 2 HA GLU 66 HA GLU 66 -5.958 -3.580 -9.338 3 HB2 GLU 66 HB2 GLU 66 -5.145 -1.283 -7.569 4 HB3 GLU 66 HB3 GLU 66 -5.686 -1.059 -9.226 5 HG2 GLU 66 HG2 GLU 66 -7.785 -2.302 -8.566 6 HG3 GLU 66 HG3 GLU 66 -7.243 -2.121 -6.896 No H/Q in entry = 6 In of MODEL 10 1 H ILE 67 H ILE 67 -2.849 -2.745 -7.852 2 HA ILE 67 HA ILE 67 -1.622 -1.985 -10.303 3 HB ILE 67 HB ILE 67 -0.432 -2.845 -7.671 4 HG12 ILE 67 HG12 ILE 67 -0.649 -0.172 -9.078 5 HG13 ILE 67 HG13 ILE 67 -1.615 -0.695 -7.706 6 HG21 ILE 67 HG21 ILE 67 1.018 -1.845 -10.128 7 HG22 ILE 67 HG22 ILE 67 1.740 -2.067 -8.536 8 HG23 ILE 67 HG23 ILE 67 1.140 -3.463 -9.436 9 HD11 ILE 67 HD11 ILE 67 1.358 -0.242 -7.696 10 HD12 ILE 67 HD12 ILE 67 0.135 0.842 -7.032 11 HD13 ILE 67 HD13 ILE 67 0.383 -0.753 -6.316 No H/Q in entry = 11 In of MODEL 10 1 H LEU 68 H LEU 68 -1.760 -5.022 -8.496 2 HA LEU 68 HA LEU 68 -0.128 -6.509 -10.273 3 HB2 LEU 68 HB2 LEU 68 -0.863 -7.076 -7.882 4 HB3 LEU 68 HB3 LEU 68 -2.367 -7.628 -8.595 5 HG LEU 68 HG LEU 68 -1.171 -9.326 -9.871 6 HD11 LEU 68 HD11 LEU 68 1.291 -8.233 -8.513 7 HD12 LEU 68 HD12 LEU 68 1.225 -9.710 -9.473 8 HD13 LEU 68 HD13 LEU 68 0.923 -8.149 -10.234 9 HD21 LEU 68 HD21 LEU 68 -0.465 -9.293 -6.940 10 HD22 LEU 68 HD22 LEU 68 -1.960 -9.904 -7.653 11 HD23 LEU 68 HD23 LEU 68 -0.429 -10.713 -7.984 No H/Q in entry = 11 In of MODEL 10 1 H LYS 69 H LYS 69 -3.435 -5.513 -10.279 2 HA LYS 69 HA LYS 69 -4.267 -7.184 -12.407 3 HB2 LYS 69 HB2 LYS 69 -5.385 -4.627 -11.295 4 HB3 LYS 69 HB3 LYS 69 -6.079 -5.388 -12.720 5 HG2 LYS 69 HG2 LYS 69 -6.374 -7.469 -11.362 6 HG3 LYS 69 HG3 LYS 69 -5.880 -6.538 -9.948 7 HD2 LYS 69 HD2 LYS 69 -8.274 -6.585 -10.011 8 HD3 LYS 69 HD3 LYS 69 -7.748 -4.953 -10.427 9 HE2 LYS 69 HE2 LYS 69 -8.061 -5.448 -12.796 10 HE3 LYS 69 HE3 LYS 69 -8.549 -7.094 -12.397 11 HZ1 LYS 69 HZ1 LYS 69 -9.974 -4.622 -11.588 12 HZ2 LYS 69 HZ2 LYS 69 -10.448 -5.676 -12.819 13 HZ3 LYS 69 HZ3 LYS 69 -10.451 -6.199 -11.213 No H/Q in entry = 13 In of MODEL 10 1 H HIS 70 H HIS 70 -2.049 -4.747 -12.359 2 HA HIS 70 HA HIS 70 -2.560 -3.976 -15.135 3 HB2 HIS 70 HB2 HIS 70 -2.360 -2.037 -13.638 4 HB3 HIS 70 HB3 HIS 70 -0.814 -2.636 -13.048 5 HD1 HIS 70 HD1 HIS 70 -2.186 -0.329 -15.423 6 HD2 HIS 70 HD2 HIS 70 1.162 -2.804 -15.294 7 HE1 HIS 70 HE1 HIS 70 -0.605 0.589 -17.145 8 HE2 HIS 70 HE2 HIS 70 1.290 -1.065 -17.219 No H/Q in entry = 8 In of MODEL 10 1 H VAL 71 H VAL 71 -0.011 -4.757 -12.821 2 HA VAL 71 HA VAL 71 1.999 -5.033 -14.752 3 HB VAL 71 HB VAL 71 2.590 -4.332 -12.575 4 HG11 VAL 71 HG11 VAL 71 1.474 -6.890 -11.569 5 HG12 VAL 71 HG12 VAL 71 2.409 -5.734 -10.615 6 HG13 VAL 71 HG13 VAL 71 0.851 -5.261 -11.304 7 HG21 VAL 71 HG21 VAL 71 3.583 -7.108 -13.031 8 HG22 VAL 71 HG22 VAL 71 4.269 -5.619 -13.675 9 HG23 VAL 71 HG23 VAL 71 4.304 -5.926 -11.937 No H/Q in entry = 9 In of MODEL 10 1 H VAL 72 H VAL 72 0.244 -7.498 -12.861 2 HA VAL 72 HA VAL 72 1.437 -9.499 -14.608 3 HB VAL 72 HB VAL 72 1.070 -9.586 -11.953 4 HG11 VAL 72 HG11 VAL 72 -1.386 -10.838 -13.081 5 HG12 VAL 72 HG12 VAL 72 -0.731 -11.246 -11.496 6 HG13 VAL 72 HG13 VAL 72 -1.257 -9.600 -11.841 7 HG21 VAL 72 HG21 VAL 72 1.088 -11.870 -13.864 8 HG22 VAL 72 HG22 VAL 72 2.478 -11.037 -13.170 9 HG23 VAL 72 HG23 VAL 72 1.420 -11.994 -12.133 No H/Q in entry = 9 In of MODEL 10 1 H GLY 73 H GLY 73 -1.332 -7.645 -14.312 2 HA2 GLY 73 HA2 GLY 73 -2.522 -9.049 -16.554 3 HA3 GLY 73 HA3 GLY 73 -2.992 -7.471 -15.939 No H/Q in entry = 3 In of MODEL 10 1 H GLU 74 H GLU 74 -5.166 -8.300 -16.236 2 HA GLU 74 HA GLU 74 -6.275 -9.165 -13.776 3 HB2 GLU 74 HB2 GLU 74 -7.561 -9.007 -16.510 4 HB3 GLU 74 HB3 GLU 74 -8.418 -9.151 -14.979 5 HG2 GLU 74 HG2 GLU 74 -7.474 -6.995 -14.270 6 HG3 GLU 74 HG3 GLU 74 -6.680 -6.847 -15.835 No H/Q in entry = 6 In of MODEL 10 1 H GLU 75 H GLU 75 -5.324 -10.768 -16.691 2 HA GLU 75 HA GLU 75 -6.315 -13.357 -16.453 3 HB2 GLU 75 HB2 GLU 75 -4.892 -12.541 -18.291 4 HB3 GLU 75 HB3 GLU 75 -3.517 -12.507 -17.196 5 HG2 GLU 75 HG2 GLU 75 -3.313 -14.484 -18.442 6 HG3 GLU 75 HG3 GLU 75 -3.876 -14.970 -16.845 No H/Q in entry = 6 In of MODEL 10 1 H LYS 76 H LYS 76 -3.210 -12.228 -15.117 2 HA LYS 76 HA LYS 76 -2.934 -14.756 -13.776 3 HB2 LYS 76 HB2 LYS 76 -0.980 -13.896 -14.810 4 HB3 LYS 76 HB3 LYS 76 -1.145 -12.348 -14.019 5 HG2 LYS 76 HG2 LYS 76 0.671 -13.661 -13.092 6 HG3 LYS 76 HG3 LYS 76 -0.566 -13.327 -11.889 7 HD2 LYS 76 HD2 LYS 76 0.261 -15.628 -11.727 8 HD3 LYS 76 HD3 LYS 76 -1.443 -15.596 -12.170 9 HE2 LYS 76 HE2 LYS 76 -0.159 -17.260 -13.449 10 HE3 LYS 76 HE3 LYS 76 -0.891 -16.036 -14.476 11 HZ1 LYS 76 HZ1 LYS 76 1.294 -14.905 -14.515 12 HZ2 LYS 76 HZ2 LYS 76 1.956 -16.209 -13.662 13 HZ3 LYS 76 HZ3 LYS 76 1.324 -16.446 -15.211 No H/Q in entry = 13 In of MODEL 10 1 H ALA 77 H ALA 77 -3.641 -11.436 -12.847 2 HA ALA 77 HA ALA 77 -3.406 -11.814 -10.060 3 HB1 ALA 77 HB1 ALA 77 -4.853 -9.844 -9.850 4 HB2 ALA 77 HB2 ALA 77 -5.245 -9.943 -11.567 5 HB3 ALA 77 HB3 ALA 77 -3.594 -9.586 -11.057 No H/Q in entry = 5 In of MODEL 10 1 H ALA 78 H ALA 78 -5.832 -12.678 -12.397 2 HA ALA 78 HA ALA 78 -7.879 -13.388 -10.542 3 HB1 ALA 78 HB1 ALA 78 -7.359 -14.079 -13.434 4 HB2 ALA 78 HB2 ALA 78 -8.743 -14.720 -12.532 5 HB3 ALA 78 HB3 ALA 78 -8.569 -12.981 -12.768 No H/Q in entry = 5 In of MODEL 10 1 H GLU 79 H GLU 79 -5.194 -15.023 -12.087 2 HA GLU 79 HA GLU 79 -5.843 -17.633 -11.148 3 HB2 GLU 79 HB2 GLU 79 -3.159 -16.586 -12.058 4 HB3 GLU 79 HB3 GLU 79 -3.663 -18.268 -11.988 5 HG2 GLU 79 HG2 GLU 79 -5.405 -17.752 -13.668 6 HG3 GLU 79 HG3 GLU 79 -4.737 -16.132 -13.805 No H/Q in entry = 6 In of MODEL 10 1 H LEU 80 H LEU 80 -3.882 -14.981 -9.965 2 HA LEU 80 HA LEU 80 -2.829 -16.415 -7.735 3 HB2 LEU 80 HB2 LEU 80 -3.076 -13.455 -8.283 4 HB3 LEU 80 HB3 LEU 80 -2.136 -14.163 -6.978 5 HG LEU 80 HG LEU 80 -1.630 -14.772 -9.886 6 HD11 LEU 80 HD11 LEU 80 -0.331 -12.722 -8.118 7 HD12 LEU 80 HD12 LEU 80 0.329 -13.278 -9.660 8 HD13 LEU 80 HD13 LEU 80 -1.232 -12.443 -9.609 9 HD21 LEU 80 HD21 LEU 80 -0.855 -16.440 -8.319 10 HD22 LEU 80 HD22 LEU 80 0.503 -15.582 -9.043 11 HD23 LEU 80 HD23 LEU 80 -0.004 -15.200 -7.397 No H/Q in entry = 11 In of MODEL 10 1 H LYS 81 H LYS 81 -5.718 -14.611 -8.390 2 HA LYS 81 HA LYS 81 -6.564 -14.352 -5.675 3 HB2 LYS 81 HB2 LYS 81 -7.367 -13.050 -7.776 4 HB3 LYS 81 HB3 LYS 81 -8.412 -14.432 -8.059 5 HG2 LYS 81 HG2 LYS 81 -8.428 -12.757 -5.553 6 HG3 LYS 81 HG3 LYS 81 -9.530 -12.550 -6.913 7 HD2 LYS 81 HD2 LYS 81 -10.341 -14.849 -6.574 8 HD3 LYS 81 HD3 LYS 81 -9.266 -15.009 -5.184 9 HE2 LYS 81 HE2 LYS 81 -10.430 -13.101 -4.123 10 HE3 LYS 81 HE3 LYS 81 -11.555 -13.073 -5.480 11 HZ1 LYS 81 HZ1 LYS 81 -12.174 -15.366 -4.918 12 HZ2 LYS 81 HZ2 LYS 81 -11.158 -15.306 -3.562 13 HZ3 LYS 81 HZ3 LYS 81 -12.509 -14.285 -3.665 No H/Q in entry = 13 In of MODEL 10 1 H ASN 82 H ASN 82 -7.413 -16.546 -8.350 2 HA ASN 82 HA ASN 82 -9.112 -18.172 -6.788 3 HB2 ASN 82 HB2 ASN 82 -9.136 -18.077 -9.299 4 HB3 ASN 82 HB3 ASN 82 -7.599 -18.926 -9.310 5 HD21 ASN 82 HD21 ASN 82 -7.538 -21.109 -8.880 6 HD22 ASN 82 HD22 ASN 82 -8.962 -22.083 -8.817 No H/Q in entry = 6 In of MODEL 10 1 H LEU 83 H LEU 83 -5.626 -18.347 -7.512 2 HA LEU 83 HA LEU 83 -5.043 -20.785 -6.354 3 HB2 LEU 83 HB2 LEU 83 -3.678 -18.336 -7.023 4 HB3 LEU 83 HB3 LEU 83 -3.074 -18.969 -5.514 5 HG LEU 83 HG LEU 83 -1.805 -19.658 -7.555 6 HD11 LEU 83 HD11 LEU 83 -3.027 -21.857 -5.898 7 HD12 LEU 83 HD12 LEU 83 -1.573 -22.012 -6.883 8 HD13 LEU 83 HD13 LEU 83 -1.587 -20.920 -5.498 9 HD21 LEU 83 HD21 LEU 83 -3.681 -19.957 -9.071 10 HD22 LEU 83 HD22 LEU 83 -2.728 -21.436 -8.948 11 HD23 LEU 83 HD23 LEU 83 -4.265 -21.304 -8.097 No H/Q in entry = 11 In of MODEL 10 1 H LYS 84 H LYS 84 -5.086 -17.604 -4.778 2 HA LYS 84 HA LYS 84 -4.722 -18.196 -2.165 3 HB2 LYS 84 HB2 LYS 84 -4.979 -15.934 -2.785 4 HB3 LYS 84 HB3 LYS 84 -6.576 -16.212 -3.464 5 HG2 LYS 84 HG2 LYS 84 -7.413 -16.652 -1.168 6 HG3 LYS 84 HG3 LYS 84 -5.821 -16.210 -0.547 7 HD2 LYS 84 HD2 LYS 84 -6.039 -13.979 -1.325 8 HD3 LYS 84 HD3 LYS 84 -7.457 -14.385 -2.294 9 HE2 LYS 84 HE2 LYS 84 -7.325 -14.492 0.716 10 HE3 LYS 84 HE3 LYS 84 -8.017 -13.166 -0.214 11 HZ1 LYS 84 HZ1 LYS 84 -9.607 -14.771 -1.166 12 HZ2 LYS 84 HZ2 LYS 84 -8.980 -15.971 -0.156 13 HZ3 LYS 84 HZ3 LYS 84 -9.753 -14.626 0.515 No H/Q in entry = 13 In of MODEL 10 1 H ASP 85 H ASP 85 -8.021 -18.014 -3.564 2 HA ASP 85 HA ASP 85 -9.188 -18.991 -1.171 3 HB2 ASP 85 HB2 ASP 85 -10.235 -18.323 -3.882 4 HB3 ASP 85 HB3 ASP 85 -11.263 -19.192 -2.743 No H/Q in entry = 4 In of MODEL 10 1 H SER 86 H SER 86 -7.914 -20.640 -3.925 2 HA SER 86 HA SER 86 -9.348 -23.084 -3.362 3 HB2 SER 86 HB2 SER 86 -6.947 -22.607 -5.143 4 HB3 SER 86 HB3 SER 86 -7.922 -24.077 -5.096 5 HG SER 86 HG SER 86 -8.580 -21.519 -6.070 No H/Q in entry = 5 In of MODEL 10 1 H GLY 87 H GLY 87 -6.767 -21.490 -1.998 2 HA2 GLY 87 HA2 GLY 87 -6.021 -23.971 -0.577 3 HA3 GLY 87 HA3 GLY 87 -6.098 -22.387 0.180 No H/Q in entry = 3 In of MODEL 10 1 H ALA 88 H ALA 88 -4.768 -20.970 -1.961 2 HA ALA 88 HA ALA 88 -2.134 -22.112 -1.971 3 HB1 ALA 88 HB1 ALA 88 -2.987 -19.323 -2.724 4 HB2 ALA 88 HB2 ALA 88 -2.835 -20.693 -3.825 5 HB3 ALA 88 HB3 ALA 88 -1.405 -20.045 -3.021 No H/Q in entry = 5 In of MODEL 10 1 H SER 89 H SER 89 -0.913 -22.025 -0.276 2 HA SER 89 HA SER 89 -1.364 -20.375 1.989 3 HB2 SER 89 HB2 SER 89 1.112 -21.982 1.360 4 HB3 SER 89 HB3 SER 89 0.445 -21.577 2.934 5 HG SER 89 HG SER 89 -1.319 -22.929 2.493 No H/Q in entry = 5 In of MODEL 10 1 H LYS 90 H LYS 90 0.737 -19.213 2.885 2 HA LYS 90 HA LYS 90 1.181 -16.914 1.456 3 HB2 LYS 90 HB2 LYS 90 2.918 -18.296 3.492 4 HB3 LYS 90 HB3 LYS 90 3.306 -16.710 2.846 5 HG2 LYS 90 HG2 LYS 90 1.327 -15.766 3.770 6 HG3 LYS 90 HG3 LYS 90 0.716 -17.355 4.227 7 HD2 LYS 90 HD2 LYS 90 1.625 -16.137 6.153 8 HD3 LYS 90 HD3 LYS 90 2.527 -17.616 5.828 9 HE2 LYS 90 HE2 LYS 90 3.486 -15.082 4.602 10 HE3 LYS 90 HE3 LYS 90 3.734 -15.315 6.328 11 HZ1 LYS 90 HZ1 LYS 90 4.650 -17.200 4.214 12 HZ2 LYS 90 HZ2 LYS 90 5.628 -16.068 5.003 13 HZ3 LYS 90 HZ3 LYS 90 4.935 -17.338 5.877 No H/Q in entry = 13 In of MODEL 10 1 H GLU 91 H GLU 91 3.074 -19.892 1.380 2 HA GLU 91 HA GLU 91 5.117 -18.706 -0.209 3 HB2 GLU 91 HB2 GLU 91 4.641 -21.458 0.834 4 HB3 GLU 91 HB3 GLU 91 5.892 -21.167 -0.367 5 HG2 GLU 91 HG2 GLU 91 6.902 -21.092 1.777 6 HG3 GLU 91 HG3 GLU 91 6.864 -19.456 1.146 No H/Q in entry = 6 In of MODEL 10 1 H GLU 92 H GLU 92 2.459 -20.967 -0.947 2 HA GLU 92 HA GLU 92 2.980 -21.533 -3.582 3 HB2 GLU 92 HB2 GLU 92 0.303 -20.954 -2.313 4 HB3 GLU 92 HB3 GLU 92 0.579 -21.855 -3.789 5 HG2 GLU 92 HG2 GLU 92 1.574 -22.676 -1.094 6 HG3 GLU 92 HG3 GLU 92 0.091 -23.254 -1.836 No H/Q in entry = 6 In of MODEL 10 1 H LEU 93 H LEU 93 1.227 -18.790 -2.157 2 HA LEU 93 HA LEU 93 1.024 -17.397 -4.632 3 HB2 LEU 93 HB2 LEU 93 0.881 -16.388 -1.794 4 HB3 LEU 93 HB3 LEU 93 0.622 -15.363 -3.198 5 HG LEU 93 HG LEU 93 -1.062 -17.689 -2.280 6 HD11 LEU 93 HD11 LEU 93 -1.655 -14.780 -2.761 7 HD12 LEU 93 HD12 LEU 93 -2.852 -16.006 -2.340 8 HD13 LEU 93 HD13 LEU 93 -1.567 -15.598 -1.200 9 HD21 LEU 93 HD21 LEU 93 -1.157 -16.222 -4.910 10 HD22 LEU 93 HD22 LEU 93 -0.859 -17.940 -4.657 11 HD23 LEU 93 HD23 LEU 93 -2.443 -17.259 -4.298 No H/Q in entry = 11 In of MODEL 10 1 H LYS 94 H LYS 94 3.582 -17.499 -2.145 2 HA LYS 94 HA LYS 94 4.927 -15.244 -3.221 3 HB2 LYS 94 HB2 LYS 94 5.312 -16.302 -0.929 4 HB3 LYS 94 HB3 LYS 94 6.276 -17.514 -1.759 5 HG2 LYS 94 HG2 LYS 94 7.784 -15.785 -2.575 6 HG3 LYS 94 HG3 LYS 94 6.807 -14.545 -1.790 7 HD2 LYS 94 HD2 LYS 94 8.597 -14.914 -0.320 8 HD3 LYS 94 HD3 LYS 94 7.251 -15.810 0.383 9 HE2 LYS 94 HE2 LYS 94 9.215 -17.176 0.501 10 HE3 LYS 94 HE3 LYS 94 8.133 -17.866 -0.708 11 HZ1 LYS 94 HZ1 LYS 94 10.422 -16.087 -1.354 12 HZ2 LYS 94 HZ2 LYS 94 10.498 -17.775 -1.388 13 HZ3 LYS 94 HZ3 LYS 94 9.467 -16.959 -2.446 No H/Q in entry = 13 In of MODEL 10 1 H ALA 95 H ALA 95 5.073 -18.682 -3.819 2 HA ALA 95 HA ALA 95 7.266 -18.364 -5.660 3 HB1 ALA 95 HB1 ALA 95 7.226 -20.293 -4.137 4 HB2 ALA 95 HB2 ALA 95 7.207 -20.813 -5.825 5 HB3 ALA 95 HB3 ALA 95 5.714 -20.831 -4.878 No H/Q in entry = 5 In of MODEL 10 1 H LYS 96 H LYS 96 3.806 -18.701 -5.767 2 HA LYS 96 HA LYS 96 3.639 -18.986 -8.563 3 HB2 LYS 96 HB2 LYS 96 1.795 -18.808 -6.642 4 HB3 LYS 96 HB3 LYS 96 1.737 -17.143 -7.204 5 HG2 LYS 96 HG2 LYS 96 0.064 -18.313 -8.380 6 HG3 LYS 96 HG3 LYS 96 1.384 -18.051 -9.521 7 HD2 LYS 96 HD2 LYS 96 2.179 -20.334 -9.111 8 HD3 LYS 96 HD3 LYS 96 0.850 -20.591 -7.982 9 HE2 LYS 96 HE2 LYS 96 0.166 -21.566 -10.020 10 HE3 LYS 96 HE3 LYS 96 -0.712 -20.041 -9.889 11 HZ1 LYS 96 HZ1 LYS 96 0.908 -19.029 -11.375 12 HZ2 LYS 96 HZ2 LYS 96 1.747 -20.489 -11.500 13 HZ3 LYS 96 HZ3 LYS 96 0.180 -20.362 -12.111 No H/Q in entry = 13 In of MODEL 10 1 H VAL 97 H VAL 97 3.374 -16.043 -6.680 2 HA VAL 97 HA VAL 97 3.407 -14.130 -8.594 3 HB VAL 97 HB VAL 97 4.637 -14.021 -5.845 4 HG11 VAL 97 HG11 VAL 97 3.922 -11.757 -7.694 5 HG12 VAL 97 HG12 VAL 97 4.423 -11.596 -6.010 6 HG13 VAL 97 HG13 VAL 97 5.550 -12.229 -7.209 7 HG21 VAL 97 HG21 VAL 97 1.954 -13.183 -6.935 8 HG22 VAL 97 HG22 VAL 97 2.279 -14.563 -5.881 9 HG23 VAL 97 HG23 VAL 97 2.512 -12.919 -5.280 No H/Q in entry = 9 In of MODEL 10 1 H GLU 98 H GLU 98 6.345 -15.572 -7.142 2 HA GLU 98 HA GLU 98 8.237 -13.990 -8.419 3 HB2 GLU 98 HB2 GLU 98 8.382 -16.932 -7.752 4 HB3 GLU 98 HB3 GLU 98 9.761 -15.966 -8.259 5 HG2 GLU 98 HG2 GLU 98 8.100 -15.476 -5.795 6 HG3 GLU 98 HG3 GLU 98 9.658 -16.297 -5.828 No H/Q in entry = 6 In of MODEL 10 1 H GLU 99 H GLU 99 6.728 -16.987 -9.577 2 HA GLU 99 HA GLU 99 8.051 -17.096 -12.069 3 HB2 GLU 99 HB2 GLU 99 5.289 -18.122 -11.384 4 HB3 GLU 99 HB3 GLU 99 6.282 -18.637 -12.738 5 HG2 GLU 99 HG2 GLU 99 7.026 -19.006 -9.850 6 HG3 GLU 99 HG3 GLU 99 6.230 -20.224 -10.840 No H/Q in entry = 6 In of MODEL 10 1 H ALA 100 H ALA 100 5.031 -15.555 -11.027 2 HA ALA 100 HA ALA 100 4.170 -14.917 -13.658 3 HB1 ALA 100 HB1 ALA 100 3.341 -13.796 -10.987 4 HB2 ALA 100 HB2 ALA 100 2.588 -15.137 -11.851 5 HB3 ALA 100 HB3 ALA 100 2.513 -13.509 -12.516 No H/Q in entry = 5 In of MODEL 10 1 H LEU 101 H LEU 101 5.803 -13.037 -11.120 2 HA LEU 101 HA LEU 101 5.916 -10.669 -12.701 3 HB2 LEU 101 HB2 LEU 101 7.419 -11.426 -10.205 4 HB3 LEU 101 HB3 LEU 101 7.374 -9.823 -10.911 5 HG LEU 101 HG LEU 101 5.075 -11.317 -9.659 6 HD11 LEU 101 HD11 LEU 101 6.635 -10.312 -8.099 7 HD12 LEU 101 HD12 LEU 101 6.481 -8.760 -8.923 8 HD13 LEU 101 HD13 LEU 101 5.093 -9.456 -8.087 9 HD21 LEU 101 HD21 LEU 101 5.080 -8.661 -11.090 10 HD22 LEU 101 HD22 LEU 101 4.233 -10.123 -11.588 11 HD23 LEU 101 HD23 LEU 101 3.750 -9.284 -10.114 No H/Q in entry = 11 In of MODEL 10 1 H HIS 102 H HIS 102 7.767 -13.531 -12.696 2 HA HIS 102 HA HIS 102 10.024 -12.169 -13.870 3 HB2 HIS 102 HB2 HIS 102 9.407 -15.053 -13.319 4 HB3 HIS 102 HB3 HIS 102 10.712 -14.631 -14.422 5 HD1 HIS 102 HD1 HIS 102 12.295 -15.805 -12.637 6 HD2 HIS 102 HD2 HIS 102 10.440 -12.310 -11.367 7 HE1 HIS 102 HE1 HIS 102 13.546 -15.086 -10.581 8 HE2 HIS 102 HE2 HIS 102 12.500 -12.893 -9.916 No H/Q in entry = 8 In of MODEL 10 1 H ALA 103 H ALA 103 7.381 -14.299 -14.903 2 HA ALA 103 HA ALA 103 8.181 -14.521 -17.578 3 HB1 ALA 103 HB1 ALA 103 5.392 -14.825 -16.487 4 HB2 ALA 103 HB2 ALA 103 6.646 -16.058 -16.377 5 HB3 ALA 103 HB3 ALA 103 6.046 -15.549 -17.957 No H/Q in entry = 5 In of MODEL 10 1 H VAL 104 H VAL 104 7.130 -11.750 -16.117 2 HA VAL 104 HA VAL 104 5.524 -10.764 -18.293 3 HB VAL 104 HB VAL 104 4.879 -10.192 -16.037 4 HG11 VAL 104 HG11 VAL 104 7.655 -9.107 -15.895 5 HG12 VAL 104 HG12 VAL 104 6.383 -8.625 -14.767 6 HG13 VAL 104 HG13 VAL 104 6.884 -10.312 -14.856 7 HG21 VAL 104 HG21 VAL 104 5.956 -7.850 -17.586 8 HG22 VAL 104 HG22 VAL 104 4.336 -8.534 -17.682 9 HG23 VAL 104 HG23 VAL 104 4.856 -7.712 -16.216 No H/Q in entry = 9 In of MODEL 10 1 H THR 105 H THR 105 6.136 -9.062 -19.650 2 HA THR 105 HA THR 105 8.908 -8.143 -19.443 3 HB THR 105 HB THR 105 9.154 -8.490 -21.953 4 HG1 THR 105 HG1 THR 105 7.438 -9.266 -22.889 5 HG21 THR 105 HG21 THR 105 10.379 -9.836 -20.317 6 HG22 THR 105 HG22 THR 105 9.012 -10.943 -20.201 7 HG23 THR 105 HG23 THR 105 9.907 -10.803 -21.714 No H/Q in entry = 7 In of MODEL 10 1 H ASP 106 H ASP 106 5.789 -7.172 -19.720 2 HA ASP 106 HA ASP 106 6.260 -5.001 -21.543 3 HB2 ASP 106 HB2 ASP 106 3.981 -5.842 -21.165 4 HB3 ASP 106 HB3 ASP 106 4.103 -5.388 -19.477 No H/Q in entry = 4 In of MODEL 10 1 H GLU 107 H GLU 107 7.157 -3.121 -21.109 2 HA GLU 107 HA GLU 107 8.890 -2.931 -18.984 3 HB2 GLU 107 HB2 GLU 107 7.837 -0.796 -20.824 4 HB3 GLU 107 HB3 GLU 107 9.159 -0.534 -19.697 5 HG2 GLU 107 HG2 GLU 107 9.181 -2.662 -21.817 6 HG3 GLU 107 HG3 GLU 107 9.841 -1.043 -22.045 No H/Q in entry = 6 In of MODEL 10 1 H GLU 108 H GLU 108 5.922 -1.059 -19.432 2 HA GLU 108 HA GLU 108 5.927 0.405 -17.085 3 HB2 GLU 108 HB2 GLU 108 3.692 -0.707 -18.765 4 HB3 GLU 108 HB3 GLU 108 3.371 0.272 -17.340 5 HG2 GLU 108 HG2 GLU 108 5.117 1.202 -19.596 6 HG3 GLU 108 HG3 GLU 108 3.374 1.471 -19.552 No H/Q in entry = 6 In of MODEL 10 1 H LYS 109 H LYS 109 4.598 -2.833 -17.686 2 HA LYS 109 HA LYS 109 3.571 -3.300 -15.129 3 HB2 LYS 109 HB2 LYS 109 4.679 -5.237 -17.170 4 HB3 LYS 109 HB3 LYS 109 3.759 -5.712 -15.749 5 HG2 LYS 109 HG2 LYS 109 1.852 -4.376 -16.590 6 HG3 LYS 109 HG3 LYS 109 2.778 -4.025 -18.046 7 HD2 LYS 109 HD2 LYS 109 2.819 -6.373 -18.628 8 HD3 LYS 109 HD3 LYS 109 2.064 -6.798 -17.099 9 HE2 LYS 109 HE2 LYS 109 0.478 -6.830 -18.984 10 HE3 LYS 109 HE3 LYS 109 0.032 -5.674 -17.732 11 HZ1 LYS 109 HZ1 LYS 109 0.957 -3.903 -19.094 12 HZ2 LYS 109 HZ2 LYS 109 1.374 -5.017 -20.296 13 HZ3 LYS 109 HZ3 LYS 109 -0.250 -4.738 -19.929 No H/Q in entry = 13 In of MODEL 10 1 H LYS 110 H LYS 110 6.786 -4.047 -16.480 2 HA LYS 110 HA LYS 110 7.711 -5.249 -14.056 3 HB2 LYS 110 HB2 LYS 110 9.291 -4.201 -16.407 4 HB3 LYS 110 HB3 LYS 110 9.933 -5.211 -15.121 5 HG2 LYS 110 HG2 LYS 110 8.286 -6.960 -15.786 6 HG3 LYS 110 HG3 LYS 110 7.868 -5.950 -17.170 7 HD2 LYS 110 HD2 LYS 110 10.663 -6.913 -16.590 8 HD3 LYS 110 HD3 LYS 110 9.536 -7.775 -17.633 9 HE2 LYS 110 HE2 LYS 110 10.696 -6.540 -19.180 10 HE3 LYS 110 HE3 LYS 110 9.352 -5.456 -18.837 11 HZ1 LYS 110 HZ1 LYS 110 10.836 -4.317 -17.219 12 HZ2 LYS 110 HZ2 LYS 110 12.115 -5.277 -17.766 13 HZ3 LYS 110 HZ3 LYS 110 11.352 -4.198 -18.827 No H/Q in entry = 13 In of MODEL 10 1 H GLN 111 H GLN 111 7.497 -2.031 -15.188 2 HA GLN 111 HA GLN 111 9.297 -0.800 -13.396 3 HB2 GLN 111 HB2 GLN 111 8.229 0.434 -15.230 4 HB3 GLN 111 HB3 GLN 111 6.658 0.233 -14.468 5 HG2 GLN 111 HG2 GLN 111 7.471 2.453 -14.062 6 HG3 GLN 111 HG3 GLN 111 7.444 1.551 -12.548 7 HE21 GLN 111 HE21 GLN 111 9.391 0.934 -11.597 8 HE22 GLN 111 HE22 GLN 111 10.895 1.663 -12.038 No H/Q in entry = 8 In of MODEL 10 1 H TYR 112 H TYR 112 5.969 -1.937 -13.017 2 HA TYR 112 HA TYR 112 5.654 -0.895 -10.355 3 HB2 TYR 112 HB2 TYR 112 4.131 -3.030 -11.847 4 HB3 TYR 112 HB3 TYR 112 3.692 -2.437 -10.247 5 HD1 TYR 112 HD1 TYR 112 3.673 0.279 -10.176 6 HD2 TYR 112 HD2 TYR 112 2.933 -2.141 -13.591 7 HE1 TYR 112 HE1 TYR 112 2.372 2.105 -11.187 8 HE2 TYR 112 HE2 TYR 112 1.639 -0.319 -14.615 9 HH TYR 112 HH TYR 112 0.404 1.655 -13.938 No H/Q in entry = 9 In of MODEL 10 1 H ILE 113 H ILE 113 6.869 -3.854 -11.757 2 HA ILE 113 HA ILE 113 6.980 -5.350 -9.375 3 HB ILE 113 HB ILE 113 8.775 -5.511 -11.791 4 HG12 ILE 113 HG12 ILE 113 6.272 -7.000 -10.988 5 HG13 ILE 113 HG13 ILE 113 6.421 -5.837 -12.303 6 HG21 ILE 113 HG21 ILE 113 9.800 -6.568 -9.831 7 HG22 ILE 113 HG22 ILE 113 8.335 -7.513 -9.573 8 HG23 ILE 113 HG23 ILE 113 9.306 -7.770 -11.021 9 HD11 ILE 113 HD11 ILE 113 7.992 -8.377 -12.186 10 HD12 ILE 113 HD12 ILE 113 6.413 -8.246 -12.952 11 HD13 ILE 113 HD13 ILE 113 7.768 -7.292 -13.560 No H/Q in entry = 11 In of MODEL 10 1 H ALA 114 H ALA 114 9.485 -3.363 -10.972 2 HA ALA 114 HA ALA 114 11.414 -3.677 -8.902 3 HB1 ALA 114 HB1 ALA 114 12.094 -3.114 -11.153 4 HB2 ALA 114 HB2 ALA 114 12.582 -1.818 -10.061 5 HB3 ALA 114 HB3 ALA 114 11.166 -1.614 -11.094 No H/Q in entry = 5 In of MODEL 10 1 H ASP 115 H ASP 115 9.009 -1.220 -9.644 2 HA ASP 115 HA ASP 115 10.011 0.562 -7.615 3 HB2 ASP 115 HB2 ASP 115 8.952 1.275 -9.796 4 HB3 ASP 115 HB3 ASP 115 7.403 0.797 -9.110 No H/Q in entry = 4 In of MODEL 10 1 H PHE 116 H PHE 116 7.025 -1.305 -8.025 2 HA PHE 116 HA PHE 116 6.344 -0.601 -5.270 3 HB2 PHE 116 HB2 PHE 116 4.663 0.095 -6.826 4 HB3 PHE 116 HB3 PHE 116 4.637 -1.484 -7.597 5 HD1 PHE 116 HD1 PHE 116 4.034 0.081 -4.269 6 HD2 PHE 116 HD2 PHE 116 2.976 -2.906 -7.097 7 HE1 PHE 116 HE1 PHE 116 2.155 -0.600 -2.825 8 HE2 PHE 116 HE2 PHE 116 1.089 -3.606 -5.662 9 HZ PHE 116 HZ PHE 116 0.679 -2.445 -3.524 No H/Q in entry = 9 In of MODEL 10 1 H GLY 117 H GLY 117 7.354 -3.237 -7.151 2 HA2 GLY 117 HA2 GLY 117 7.644 -5.469 -6.728 3 HA3 GLY 117 HA3 GLY 117 5.964 -5.418 -6.240 No H/Q in entry = 3 In of MODEL 10 1 HA PRO 118 HA PRO 118 9.249 -6.392 -2.772 2 HB2 PRO 118 HB2 PRO 118 10.441 -4.132 -1.703 3 HB3 PRO 118 HB3 PRO 118 11.193 -5.225 -2.868 4 HG2 PRO 118 HG2 PRO 118 9.797 -2.622 -3.340 5 HG3 PRO 118 HG3 PRO 118 11.287 -3.246 -4.077 6 HD2 PRO 118 HD2 PRO 118 8.981 -3.311 -5.410 7 HD3 PRO 118 HD3 PRO 118 10.123 -4.669 -5.512 No H/Q in entry = 7 In of MODEL 10 1 H ALA 119 H ALA 119 7.427 -3.375 -2.685 2 HA ALA 119 HA ALA 119 6.917 -3.619 0.161 3 HB1 ALA 119 HB1 ALA 119 5.666 -1.544 -0.086 4 HB2 ALA 119 HB2 ALA 119 5.847 -1.631 -1.838 5 HB3 ALA 119 HB3 ALA 119 7.267 -1.408 -0.814 No H/Q in entry = 5 In of MODEL 10 1 H CYS 120 H CYS 120 5.148 -3.972 -2.891 2 HA CYS 120 HA CYS 120 2.645 -4.687 -1.909 3 HB2 CYS 120 HB2 CYS 120 3.012 -4.362 -4.272 4 HB3 CYS 120 HB3 CYS 120 4.207 -5.653 -4.314 No H/Q in entry = 4 In of MODEL 10 1 H LYS 121 H LYS 121 5.630 -6.463 -2.191 2 HA LYS 121 HA LYS 121 4.747 -9.062 -1.788 3 HB2 LYS 121 HB2 LYS 121 7.160 -7.811 -2.151 4 HB3 LYS 121 HB3 LYS 121 7.301 -8.402 -0.503 5 HG2 LYS 121 HG2 LYS 121 8.220 -10.030 -1.997 6 HG3 LYS 121 HG3 LYS 121 6.726 -10.671 -1.321 7 HD2 LYS 121 HD2 LYS 121 5.525 -10.205 -3.333 8 HD3 LYS 121 HD3 LYS 121 6.880 -9.289 -3.994 9 HE2 LYS 121 HE2 LYS 121 6.927 -12.238 -3.370 10 HE3 LYS 121 HE3 LYS 121 6.658 -11.552 -4.971 11 HZ1 LYS 121 HZ1 LYS 121 8.868 -10.448 -4.713 12 HZ2 LYS 121 HZ2 LYS 121 9.118 -11.377 -3.323 13 HZ3 LYS 121 HZ3 LYS 121 8.931 -12.137 -4.828 No H/Q in entry = 13 In of MODEL 10 1 H LYS 122 H LYS 122 5.956 -6.760 0.745 2 HA LYS 122 HA LYS 122 5.297 -8.527 2.852 3 HB2 LYS 122 HB2 LYS 122 5.493 -6.634 4.382 4 HB3 LYS 122 HB3 LYS 122 6.842 -6.702 3.264 5 HG2 LYS 122 HG2 LYS 122 6.107 -4.813 2.092 6 HG3 LYS 122 HG3 LYS 122 4.490 -4.901 2.797 7 HD2 LYS 122 HD2 LYS 122 5.853 -3.102 3.797 8 HD3 LYS 122 HD3 LYS 122 5.370 -4.316 4.980 9 HE2 LYS 122 HE2 LYS 122 7.640 -5.400 4.530 10 HE3 LYS 122 HE3 LYS 122 8.064 -3.892 3.724 11 HZ1 LYS 122 HZ1 LYS 122 7.152 -4.110 6.541 12 HZ2 LYS 122 HZ2 LYS 122 8.764 -3.954 6.058 13 HZ3 LYS 122 HZ3 LYS 122 7.670 -2.702 5.763 No H/Q in entry = 13 In of MODEL 10 1 H ILE 123 H ILE 123 3.434 -6.309 0.991 2 HA ILE 123 HA ILE 123 1.497 -5.704 2.891 3 HB ILE 123 HB ILE 123 1.549 -5.445 -0.065 4 HG12 ILE 123 HG12 ILE 123 1.358 -3.518 2.257 5 HG13 ILE 123 HG13 ILE 123 2.814 -3.891 1.341 6 HG21 ILE 123 HG21 ILE 123 -0.815 -4.867 1.720 7 HG22 ILE 123 HG22 ILE 123 -0.630 -4.250 0.079 8 HG23 ILE 123 HG23 ILE 123 -0.760 -5.987 0.356 9 HD11 ILE 123 HD11 ILE 123 0.355 -2.636 0.180 10 HD12 ILE 123 HD12 ILE 123 1.763 -1.745 0.750 11 HD13 ILE 123 HD13 ILE 123 1.912 -2.860 -0.610 No H/Q in entry = 11 In of MODEL 10 1 H TYR 124 H TYR 124 1.566 -8.352 0.561 2 HA TYR 124 HA TYR 124 -1.161 -9.059 1.236 3 HB2 TYR 124 HB2 TYR 124 0.943 -9.975 -0.623 4 HB3 TYR 124 HB3 TYR 124 -0.153 -11.228 -0.069 5 HD1 TYR 124 HD1 TYR 124 -2.740 -9.993 -0.022 6 HD2 TYR 124 HD2 TYR 124 0.463 -9.373 -2.744 7 HE1 TYR 124 HE1 TYR 124 -4.354 -9.289 -1.733 8 HE2 TYR 124 HE2 TYR 124 -1.149 -8.659 -4.475 9 HH TYR 124 HH TYR 124 -3.555 -9.007 -4.999 No H/Q in entry = 9 In of MODEL 10 1 H GLY 125 H GLY 125 1.655 -11.087 1.105 2 HA2 GLY 125 HA2 GLY 125 1.463 -13.267 2.231 3 HA3 GLY 125 HA3 GLY 125 0.769 -12.411 3.592 No H/Q in entry = 3 In of MODEL 10 1 H VAL 126 H VAL 126 3.545 -11.231 1.855 2 HA VAL 126 HA VAL 126 5.228 -12.980 3.508 3 HB VAL 126 HB VAL 126 6.594 -13.168 1.346 4 HG11 VAL 126 HG11 VAL 126 5.110 -14.940 2.255 5 HG12 VAL 126 HG12 VAL 126 3.776 -14.259 1.321 6 HG13 VAL 126 HG13 VAL 126 5.177 -14.938 0.495 7 HG21 VAL 126 HG21 VAL 126 5.544 -11.246 0.192 8 HG22 VAL 126 HG22 VAL 126 5.373 -12.736 -0.736 9 HG23 VAL 126 HG23 VAL 126 3.997 -12.102 0.178 No H/Q in entry = 9 In of MODEL 10 1 H HIS 127 H HIS 127 7.654 -12.284 2.365 2 HA HIS 127 HA HIS 127 9.374 -10.820 2.381 3 HB2 HIS 127 HB2 HIS 127 7.680 -9.594 0.862 4 HB3 HIS 127 HB3 HIS 127 7.433 -8.532 2.241 5 HD1 HIS 127 HD1 HIS 127 9.995 -9.496 -0.323 6 HD2 HIS 127 HD2 HIS 127 9.490 -6.708 2.718 7 HE1 HIS 127 HE1 HIS 127 11.850 -7.830 -0.620 8 HE2 HIS 127 HE2 HIS 127 11.613 -6.246 1.322 No H/Q in entry = 8 In of MODEL 10 1 H THR 128 H THR 128 8.102 -11.657 4.815 2 HA THR 128 HA THR 128 8.433 -9.447 6.658 3 HB THR 128 HB THR 128 8.092 -12.400 7.240 4 HG1 THR 128 HG1 THR 128 6.256 -10.339 6.651 5 HG21 THR 128 HG21 THR 128 8.926 -11.087 9.142 6 HG22 THR 128 HG22 THR 128 7.568 -9.977 8.963 7 HG23 THR 128 HG23 THR 128 7.278 -11.654 9.418 No H/Q in entry = 7 In of MODEL 10 1 H SER 129 H SER 129 10.142 -12.249 5.490 2 HA SER 129 HA SER 129 12.604 -11.246 6.718 3 HB2 SER 129 HB2 SER 129 11.806 -14.168 6.547 4 HB3 SER 129 HB3 SER 129 13.319 -13.540 7.205 5 HG SER 129 HG SER 129 10.823 -13.689 8.347 No H/Q in entry = 5 In of MODEL 11 1 HA2 GLY -4 HA2 GLY -4 -16.053 12.285 -20.465 2 HA3 GLY -4 HA3 GLY -4 -17.349 12.131 -19.289 3 H1 GLY -4 H1 GLY -4 -16.041 13.415 -17.726 4 H2 GLY -4 H2 GLY -4 -16.297 14.284 -19.154 No H/Q in entry = 4 In of MODEL 11 1 H SER -3 H SER -3 -14.347 10.902 -20.381 2 HA SER -3 HA SER -3 -14.689 8.570 -18.729 3 HB2 SER -3 HB2 SER -3 -12.505 9.232 -20.719 4 HB3 SER -3 HB3 SER -3 -12.837 7.645 -20.026 5 HG SER -3 HG SER -3 -14.994 8.882 -21.223 No H/Q in entry = 5 In of MODEL 11 1 HA PRO -2 HA PRO -2 -11.897 10.110 -15.582 2 HB2 PRO -2 HB2 PRO -2 -12.037 7.931 -13.972 3 HB3 PRO -2 HB3 PRO -2 -13.293 9.171 -14.023 4 HG2 PRO -2 HG2 PRO -2 -13.233 6.480 -15.292 5 HG3 PRO -2 HG3 PRO -2 -14.589 7.342 -14.552 6 HD2 PRO -2 HD2 PRO -2 -14.172 7.163 -17.253 7 HD3 PRO -2 HD3 PRO -2 -15.066 8.479 -16.473 No H/Q in entry = 7 In of MODEL 11 1 H GLU -1 H GLU -1 -9.988 10.103 -16.749 2 HA GLU -1 HA GLU -1 -8.574 7.532 -16.933 3 HB2 GLU -1 HB2 GLU -1 -8.924 8.698 -19.079 4 HB3 GLU -1 HB3 GLU -1 -8.083 10.108 -18.447 5 HG2 GLU -1 HG2 GLU -1 -6.640 8.823 -19.903 6 HG3 GLU -1 HG3 GLU -1 -6.031 8.802 -18.249 No H/Q in entry = 6 In of MODEL 11 1 H PHE 0 H PHE 0 -6.365 7.462 -16.364 2 HA PHE 0 HA PHE 0 -5.358 9.664 -14.748 3 HB2 PHE 0 HB2 PHE 0 -4.611 7.900 -13.026 4 HB3 PHE 0 HB3 PHE 0 -6.285 8.441 -12.999 5 HD1 PHE 0 HD1 PHE 0 -8.063 6.998 -13.711 6 HD2 PHE 0 HD2 PHE 0 -4.036 5.663 -13.703 7 HE1 PHE 0 HE1 PHE 0 -8.847 4.667 -13.909 8 HE2 PHE 0 HE2 PHE 0 -4.798 3.329 -13.906 9 HZ PHE 0 HZ PHE 0 -7.211 2.829 -14.008 No H/Q in entry = 9 In of MODEL 11 1 H HIS 1 H HIS 1 -3.051 9.502 -14.313 2 HA HIS 1 HA HIS 1 -1.604 8.873 -16.617 3 HB2 HIS 1 HB2 HIS 1 -0.989 10.521 -14.782 4 HB3 HIS 1 HB3 HIS 1 -0.431 9.142 -13.845 5 HD1 HIS 1 HD1 HIS 1 2.025 9.781 -13.839 6 HD2 HIS 1 HD2 HIS 1 0.402 9.533 -17.658 7 HE1 HIS 1 HE1 HIS 1 3.975 9.959 -15.419 8 HE2 HIS 1 HE2 HIS 1 2.936 10.050 -17.710 No H/Q in entry = 8 In of MODEL 11 1 H HIS 2 H HIS 2 -0.894 7.379 -13.463 2 HA HIS 2 HA HIS 2 -1.123 4.729 -14.700 3 HB2 HIS 2 HB2 HIS 2 1.213 5.660 -13.009 4 HB3 HIS 2 HB3 HIS 2 0.910 3.982 -13.439 5 HD1 HIS 2 HD1 HIS 2 3.164 6.390 -14.329 6 HD2 HIS 2 HD2 HIS 2 0.527 4.112 -16.597 7 HE1 HIS 2 HE1 HIS 2 4.088 6.415 -16.670 8 HE2 HIS 2 HE2 HIS 2 2.403 5.148 -18.049 No H/Q in entry = 8 In of MODEL 11 1 H PHE 3 H PHE 3 -0.037 5.925 -11.563 2 HA PHE 3 HA PHE 3 -2.578 5.256 -10.317 3 HB2 PHE 3 HB2 PHE 3 0.071 4.034 -9.497 4 HB3 PHE 3 HB3 PHE 3 -1.321 4.103 -8.424 5 HD1 PHE 3 HD1 PHE 3 -3.433 2.905 -9.105 6 HD2 PHE 3 HD2 PHE 3 0.288 2.345 -11.096 7 HE1 PHE 3 HE1 PHE 3 -4.262 0.792 -10.053 8 HE2 PHE 3 HE2 PHE 3 -0.534 0.231 -12.044 9 HZ PHE 3 HZ PHE 3 -2.834 -0.538 -11.520 No H/Q in entry = 9 In of MODEL 11 1 H THR 4 H THR 4 -2.946 6.546 -8.475 2 HA THR 4 HA THR 4 -0.785 8.290 -7.578 3 HB THR 4 HB THR 4 -2.491 10.213 -7.584 4 HG1 THR 4 HG1 THR 4 -4.125 8.421 -8.422 5 HG21 THR 4 HG21 THR 4 -1.385 9.162 -10.190 6 HG22 THR 4 HG22 THR 4 -1.982 10.804 -9.932 7 HG23 THR 4 HG23 THR 4 -0.567 10.230 -9.049 No H/Q in entry = 7 In of MODEL 11 1 H LEU 5 H LEU 5 -1.197 9.258 -5.535 2 HA LEU 5 HA LEU 5 -2.342 7.386 -3.754 3 HB2 LEU 5 HB2 LEU 5 -0.882 9.941 -3.519 4 HB3 LEU 5 HB3 LEU 5 -1.885 9.495 -2.155 5 HG LEU 5 HG LEU 5 -0.659 7.324 -2.035 6 HD11 LEU 5 HD11 LEU 5 0.145 7.233 -4.340 7 HD12 LEU 5 HD12 LEU 5 1.169 8.636 -4.040 8 HD13 LEU 5 HD13 LEU 5 1.476 7.123 -3.189 9 HD21 LEU 5 HD21 LEU 5 -0.124 9.214 -0.587 10 HD22 LEU 5 HD22 LEU 5 1.318 8.282 -0.990 11 HD23 LEU 5 HD23 LEU 5 1.010 9.821 -1.793 No H/Q in entry = 11 In of MODEL 11 1 H GLU 6 H GLU 6 -3.543 10.498 -4.982 2 HA GLU 6 HA GLU 6 -5.800 10.716 -3.349 3 HB2 GLU 6 HB2 GLU 6 -5.622 11.235 -6.324 4 HB3 GLU 6 HB3 GLU 6 -6.921 11.790 -5.276 5 HG2 GLU 6 HG2 GLU 6 -5.698 13.668 -5.261 6 HG3 GLU 6 HG3 GLU 6 -4.852 12.836 -3.963 No H/Q in entry = 6 In of MODEL 11 1 H SER 7 H SER 7 -5.317 8.689 -6.269 2 HA SER 7 HA SER 7 -7.849 7.712 -6.562 3 HB2 SER 7 HB2 SER 7 -5.343 6.065 -6.926 4 HB3 SER 7 HB3 SER 7 -6.878 5.886 -7.778 5 HG SER 7 HG SER 7 -6.511 7.790 -8.842 No H/Q in entry = 5 In of MODEL 11 1 H SER 8 H SER 8 -5.671 6.936 -3.952 2 HA SER 8 HA SER 8 -7.241 4.559 -3.333 3 HB2 SER 8 HB2 SER 8 -5.465 4.035 -1.664 4 HB3 SER 8 HB3 SER 8 -4.918 4.099 -3.346 5 HG SER 8 HG SER 8 -4.672 6.547 -2.333 No H/Q in entry = 5 In of MODEL 11 1 H LEU 9 H LEU 9 -7.151 7.830 -2.299 2 HA LEU 9 HA LEU 9 -6.837 7.490 0.429 3 HB2 LEU 9 HB2 LEU 9 -8.197 9.704 -1.051 4 HB3 LEU 9 HB3 LEU 9 -7.663 9.778 0.620 5 HG LEU 9 HG LEU 9 -5.823 9.256 -1.701 6 HD11 LEU 9 HD11 LEU 9 -6.863 11.416 -1.902 7 HD12 LEU 9 HD12 LEU 9 -6.379 11.824 -0.256 8 HD13 LEU 9 HD13 LEU 9 -5.151 11.564 -1.497 9 HD21 LEU 9 HD21 LEU 9 -5.355 9.853 1.211 10 HD22 LEU 9 HD22 LEU 9 -4.875 8.419 0.311 11 HD23 LEU 9 HD23 LEU 9 -4.099 9.968 -0.016 No H/Q in entry = 11 In of MODEL 11 1 H ASP 10 H ASP 10 -9.790 7.311 -1.358 2 HA ASP 10 HA ASP 10 -11.299 7.017 1.136 3 HB2 ASP 10 HB2 ASP 10 -12.270 7.106 -1.727 4 HB3 ASP 10 HB3 ASP 10 -13.297 7.053 -0.301 No H/Q in entry = 4 In of MODEL 11 1 H THR 11 H THR 11 -9.516 5.051 -0.734 2 HA THR 11 HA THR 11 -11.285 2.789 -0.142 3 HB THR 11 HB THR 11 -10.279 1.617 -2.131 4 HG1 THR 11 HG1 THR 11 -9.662 3.577 -3.697 5 HG21 THR 11 HG21 THR 11 -11.904 4.110 -2.649 6 HG22 THR 11 HG22 THR 11 -11.735 2.753 -3.765 7 HG23 THR 11 HG23 THR 11 -12.535 2.522 -2.211 No H/Q in entry = 7 In of MODEL 11 1 H HIS 12 H HIS 12 -8.159 2.449 -1.593 2 HA HIS 12 HA HIS 12 -7.350 0.564 0.294 3 HB2 HIS 12 HB2 HIS 12 -5.523 2.047 -1.580 4 HB3 HIS 12 HB3 HIS 12 -5.254 0.457 -0.872 5 HD1 HIS 12 HD1 HIS 12 -7.435 -1.270 -1.557 6 HD2 HIS 12 HD2 HIS 12 -6.400 1.844 -4.113 7 HE1 HIS 12 HE1 HIS 12 -8.461 -1.849 -3.782 8 HE2 HIS 12 HE2 HIS 12 -7.991 0.148 -5.250 No H/Q in entry = 8 In of MODEL 11 1 H LEU 13 H LEU 13 -6.728 4.026 0.147 2 HA LEU 13 HA LEU 13 -4.908 3.690 2.438 3 HB2 LEU 13 HB2 LEU 13 -4.892 5.546 0.139 4 HB3 LEU 13 HB3 LEU 13 -4.336 6.172 1.678 5 HG LEU 13 HG LEU 13 -2.430 5.402 0.427 6 HD11 LEU 13 HD11 LEU 13 -2.490 4.985 2.878 7 HD12 LEU 13 HD12 LEU 13 -3.018 3.339 2.537 8 HD13 LEU 13 HD13 LEU 13 -1.437 3.890 1.985 9 HD21 LEU 13 HD21 LEU 13 -3.857 2.752 0.235 10 HD22 LEU 13 HD22 LEU 13 -3.485 3.849 -1.094 11 HD23 LEU 13 HD23 LEU 13 -2.179 3.038 -0.230 No H/Q in entry = 11 In of MODEL 11 1 H LYS 14 H LYS 14 -7.828 3.909 2.456 2 HA LYS 14 HA LYS 14 -8.518 6.512 3.406 3 HB2 LYS 14 HB2 LYS 14 -10.710 5.680 3.741 4 HB3 LYS 14 HB3 LYS 14 -10.109 4.958 2.265 5 HG2 LYS 14 HG2 LYS 14 -9.603 2.896 3.549 6 HG3 LYS 14 HG3 LYS 14 -10.368 3.639 4.956 7 HD2 LYS 14 HD2 LYS 14 -12.451 3.887 3.668 8 HD3 LYS 14 HD3 LYS 14 -11.683 3.094 2.294 9 HE2 LYS 14 HE2 LYS 14 -12.981 1.449 3.392 10 HE3 LYS 14 HE3 LYS 14 -11.298 1.113 3.791 11 HZ1 LYS 14 HZ1 LYS 14 -13.238 2.528 5.539 12 HZ2 LYS 14 HZ2 LYS 14 -12.722 0.930 5.732 13 HZ3 LYS 14 HZ3 LYS 14 -11.625 2.202 5.923 No H/Q in entry = 13 In of MODEL 11 1 H TRP 15 H TRP 15 -7.038 3.872 4.867 2 HA TRP 15 HA TRP 15 -8.017 4.251 7.533 3 HB2 TRP 15 HB2 TRP 15 -6.173 2.704 8.158 4 HB3 TRP 15 HB3 TRP 15 -7.194 2.065 6.874 5 HD1 TRP 15 HD1 TRP 15 -6.138 1.941 4.419 6 HE1 TRP 15 HE1 TRP 15 -3.695 1.865 3.609 7 HE3 TRP 15 HE3 TRP 15 -3.821 3.558 8.681 8 HZ2 TRP 15 HZ2 TRP 15 -1.128 2.416 4.645 9 HZ3 TRP 15 HZ3 TRP 15 -1.368 3.755 8.689 10 HH2 TRP 15 HH2 TRP 15 -0.051 3.196 6.711 No H/Q in entry = 10 In of MODEL 11 1 H LEU 16 H LEU 16 -5.890 5.957 5.567 2 HA LEU 16 HA LEU 16 -4.119 6.944 7.601 3 HB2 LEU 16 HB2 LEU 16 -4.875 8.128 4.917 4 HB3 LEU 16 HB3 LEU 16 -3.590 8.716 5.945 5 HG LEU 16 HG LEU 16 -3.604 5.958 4.703 6 HD11 LEU 16 HD11 LEU 16 -3.569 7.689 2.972 7 HD12 LEU 16 HD12 LEU 16 -2.205 8.467 3.778 8 HD13 LEU 16 HD13 LEU 16 -2.021 6.855 3.084 9 HD21 LEU 16 HD21 LEU 16 -1.414 7.579 6.005 10 HD22 LEU 16 HD22 LEU 16 -2.175 6.135 6.671 11 HD23 LEU 16 HD23 LEU 16 -1.197 6.022 5.206 No H/Q in entry = 11 In of MODEL 11 1 H SER 17 H SER 17 -4.289 8.835 8.724 2 HA SER 17 HA SER 17 -6.910 9.798 9.308 3 HB2 SER 17 HB2 SER 17 -4.283 11.098 10.041 4 HB3 SER 17 HB3 SER 17 -5.832 11.309 10.849 5 HG SER 17 HG SER 17 -5.472 8.770 10.930 No H/Q in entry = 5 In of MODEL 11 1 H GLN 18 H GLN 18 -7.578 12.158 9.061 2 HA GLN 18 HA GLN 18 -7.293 13.018 6.406 3 HB2 GLN 18 HB2 GLN 18 -9.128 13.770 7.922 4 HB3 GLN 18 HB3 GLN 18 -7.966 14.759 8.796 5 HG2 GLN 18 HG2 GLN 18 -9.260 16.101 7.244 6 HG3 GLN 18 HG3 GLN 18 -7.558 16.073 6.783 7 HE21 GLN 18 HE21 GLN 18 -7.998 16.593 4.650 8 HE22 GLN 18 HE22 GLN 18 -8.728 15.474 3.555 No H/Q in entry = 8 In of MODEL 11 1 H GLU 19 H GLU 19 -5.661 14.076 9.354 2 HA GLU 19 HA GLU 19 -3.961 15.966 8.275 3 HB2 GLU 19 HB2 GLU 19 -3.686 14.025 10.565 4 HB3 GLU 19 HB3 GLU 19 -2.482 15.234 10.211 5 HG2 GLU 19 HG2 GLU 19 -5.350 15.884 10.745 6 HG3 GLU 19 HG3 GLU 19 -4.106 15.849 11.993 No H/Q in entry = 6 In of MODEL 11 1 H GLN 20 H GLN 20 -3.737 12.454 8.302 2 HA GLN 20 HA GLN 20 -1.089 12.384 7.236 3 HB2 GLN 20 HB2 GLN 20 -3.247 10.284 7.441 4 HB3 GLN 20 HB3 GLN 20 -1.658 9.962 6.759 5 HG2 GLN 20 HG2 GLN 20 -0.596 10.467 8.851 6 HG3 GLN 20 HG3 GLN 20 -2.128 10.982 9.551 7 HE21 GLN 20 HE21 GLN 20 -1.947 9.471 11.214 8 HE22 GLN 20 HE22 GLN 20 -2.205 7.783 10.946 No H/Q in entry = 8 In of MODEL 11 1 H LYS 21 H LYS 21 -4.353 12.063 5.861 2 HA LYS 21 HA LYS 21 -3.775 11.731 3.172 3 HB2 LYS 21 HB2 LYS 21 -5.948 13.027 4.711 4 HB3 LYS 21 HB3 LYS 21 -5.780 13.586 3.058 5 HG2 LYS 21 HG2 LYS 21 -7.422 11.859 3.145 6 HG3 LYS 21 HG3 LYS 21 -6.010 11.262 2.288 7 HD2 LYS 21 HD2 LYS 21 -5.286 10.067 4.286 8 HD3 LYS 21 HD3 LYS 21 -6.677 10.698 5.172 9 HE2 LYS 21 HE2 LYS 21 -6.800 8.914 2.740 10 HE3 LYS 21 HE3 LYS 21 -7.047 8.395 4.407 11 HZ1 LYS 21 HZ1 LYS 21 -8.727 10.415 3.021 12 HZ2 LYS 21 HZ2 LYS 21 -9.132 8.780 3.168 13 HZ3 LYS 21 HZ3 LYS 21 -9.001 9.748 4.550 No H/Q in entry = 13 In of MODEL 11 1 H ASP 22 H ASP 22 -4.104 14.749 4.954 2 HA ASP 22 HA ASP 22 -3.295 16.481 2.879 3 HB2 ASP 22 HB2 ASP 22 -4.625 17.228 4.789 4 HB3 ASP 22 HB3 ASP 22 -3.307 16.838 5.880 No H/Q in entry = 4 In of MODEL 11 1 H GLU 23 H GLU 23 -1.430 14.845 5.440 2 HA GLU 23 HA GLU 23 1.044 16.029 4.955 3 HB2 GLU 23 HB2 GLU 23 0.487 14.549 6.843 4 HB3 GLU 23 HB3 GLU 23 0.366 13.197 5.731 5 HG2 GLU 23 HG2 GLU 23 2.465 13.127 6.835 6 HG3 GLU 23 HG3 GLU 23 2.698 13.508 5.133 No H/Q in entry = 6 In of MODEL 11 1 H LEU 24 H LEU 24 -0.321 13.001 3.613 2 HA LEU 24 HA LEU 24 1.886 12.440 1.953 3 HB2 LEU 24 HB2 LEU 24 -0.971 11.513 2.017 4 HB3 LEU 24 HB3 LEU 24 0.128 10.961 0.773 5 HG LEU 24 HG LEU 24 -0.250 9.448 2.794 6 HD11 LEU 24 HD11 LEU 24 2.551 10.203 2.018 7 HD12 LEU 24 HD12 LEU 24 2.091 8.735 2.885 8 HD13 LEU 24 HD13 LEU 24 1.521 9.001 1.236 9 HD21 LEU 24 HD21 LEU 24 1.255 11.652 4.079 10 HD22 LEU 24 HD22 LEU 24 -0.076 10.675 4.700 11 HD23 LEU 24 HD23 LEU 24 1.546 9.991 4.583 No H/Q in entry = 11 In of MODEL 11 1 H LEU 25 H LEU 25 -1.212 14.052 1.327 2 HA LEU 25 HA LEU 25 -0.879 14.467 -1.423 3 HB2 LEU 25 HB2 LEU 25 -2.391 16.045 0.650 4 HB3 LEU 25 HB3 LEU 25 -2.461 16.398 -1.062 5 HG LEU 25 HG LEU 25 -3.345 13.824 0.236 6 HD11 LEU 25 HD11 LEU 25 -4.840 15.689 0.711 7 HD12 LEU 25 HD12 LEU 25 -4.940 16.055 -1.012 8 HD13 LEU 25 HD13 LEU 25 -5.591 14.538 -0.394 9 HD21 LEU 25 HD21 LEU 25 -3.431 14.724 -2.639 10 HD22 LEU 25 HD22 LEU 25 -2.480 13.395 -1.977 11 HD23 LEU 25 HD23 LEU 25 -4.239 13.293 -2.001 No H/Q in entry = 11 In of MODEL 11 1 H LYS 26 H LYS 26 0.156 16.383 1.356 2 HA LYS 26 HA LYS 26 1.160 18.586 -0.118 3 HB2 LYS 26 HB2 LYS 26 0.670 18.644 2.315 4 HB3 LYS 26 HB3 LYS 26 2.035 17.573 2.593 5 HG2 LYS 26 HG2 LYS 26 2.574 19.907 3.080 6 HG3 LYS 26 HG3 LYS 26 3.566 19.260 1.772 7 HD2 LYS 26 HD2 LYS 26 2.193 20.374 0.124 8 HD3 LYS 26 HD3 LYS 26 1.087 20.932 1.380 9 HE2 LYS 26 HE2 LYS 26 4.001 21.673 1.193 10 HE3 LYS 26 HE3 LYS 26 2.671 22.675 0.619 11 HZ1 LYS 26 HZ1 LYS 26 1.818 22.759 2.884 12 HZ2 LYS 26 HZ2 LYS 26 3.112 21.815 3.424 13 HZ3 LYS 26 HZ3 LYS 26 3.394 23.363 2.809 No H/Q in entry = 13 In of MODEL 11 1 H MET 27 H MET 27 2.685 15.663 1.166 2 HA MET 27 HA MET 27 5.231 16.024 0.283 3 HB2 MET 27 HB2 MET 27 3.588 13.497 0.370 4 HB3 MET 27 HB3 MET 27 5.319 13.505 0.068 5 HG2 MET 27 HG2 MET 27 4.363 14.926 2.478 6 HG3 MET 27 HG3 MET 27 4.274 13.167 2.482 7 HE1 MET 27 HE1 MET 27 6.270 11.576 2.262 8 HE2 MET 27 HE2 MET 27 6.795 12.304 0.744 9 HE3 MET 27 HE3 MET 27 7.951 12.072 2.056 No H/Q in entry = 9 In of MODEL 11 1 H LYS 28 H LYS 28 2.661 14.378 -1.566 2 HA LYS 28 HA LYS 28 4.126 14.018 -3.942 3 HB2 LYS 28 HB2 LYS 28 1.913 12.956 -3.215 4 HB3 LYS 28 HB3 LYS 28 1.148 14.417 -3.824 5 HG2 LYS 28 HG2 LYS 28 3.032 13.129 -5.677 6 HG3 LYS 28 HG3 LYS 28 1.590 12.193 -5.292 7 HD2 LYS 28 HD2 LYS 28 1.471 15.064 -6.178 8 HD3 LYS 28 HD3 LYS 28 1.452 13.715 -7.316 9 HE2 LYS 28 HE2 LYS 28 -0.533 12.813 -6.165 10 HE3 LYS 28 HE3 LYS 28 -0.529 14.215 -5.097 11 HZ1 LYS 28 HZ1 LYS 28 -0.820 14.343 -8.050 12 HZ2 LYS 28 HZ2 LYS 28 -2.104 14.420 -6.945 13 HZ3 LYS 28 HZ3 LYS 28 -0.925 15.640 -6.970 No H/Q in entry = 13 In of MODEL 11 1 H LYS 29 H LYS 29 2.071 16.644 -2.818 2 HA LYS 29 HA LYS 29 2.036 18.163 -5.175 3 HB2 LYS 29 HB2 LYS 29 0.488 18.462 -3.270 4 HB3 LYS 29 HB3 LYS 29 1.806 19.136 -2.326 5 HG2 LYS 29 HG2 LYS 29 1.998 20.982 -3.916 6 HG3 LYS 29 HG3 LYS 29 0.664 20.305 -4.852 7 HD2 LYS 29 HD2 LYS 29 -0.807 20.539 -2.897 8 HD3 LYS 29 HD3 LYS 29 0.528 21.257 -1.993 9 HE2 LYS 29 HE2 LYS 29 -0.977 22.971 -2.870 10 HE3 LYS 29 HE3 LYS 29 0.629 23.099 -3.585 11 HZ1 LYS 29 HZ1 LYS 29 -1.694 21.776 -4.877 12 HZ2 LYS 29 HZ2 LYS 29 -1.165 23.345 -5.215 13 HZ3 LYS 29 HZ3 LYS 29 -0.169 22.027 -5.562 No H/Q in entry = 13 In of MODEL 11 1 H ASP 30 H ASP 30 4.326 18.146 -2.473 2 HA ASP 30 HA ASP 30 5.659 20.491 -3.508 3 HB2 ASP 30 HB2 ASP 30 5.901 18.859 -1.032 4 HB3 ASP 30 HB3 ASP 30 7.324 19.758 -1.548 No H/Q in entry = 4 In of MODEL 11 1 H GLY 31 H GLY 31 5.710 17.423 -4.437 2 HA2 GLY 31 HA2 GLY 31 8.215 17.903 -5.820 3 HA3 GLY 31 HA3 GLY 31 7.024 16.674 -6.213 No H/Q in entry = 3 In of MODEL 11 1 H LYS 32 H LYS 32 7.050 15.963 -3.237 2 HA LYS 32 HA LYS 32 9.537 14.676 -2.816 3 HB2 LYS 32 HB2 LYS 32 6.781 13.983 -1.770 4 HB3 LYS 32 HB3 LYS 32 8.278 13.257 -1.205 5 HG2 LYS 32 HG2 LYS 32 7.592 16.181 -1.002 6 HG3 LYS 32 HG3 LYS 32 7.425 15.001 0.299 7 HD2 LYS 32 HD2 LYS 32 9.862 14.560 0.142 8 HD3 LYS 32 HD3 LYS 32 9.981 15.848 -1.060 9 HE2 LYS 32 HE2 LYS 32 9.096 17.443 0.576 10 HE3 LYS 32 HE3 LYS 32 9.009 16.155 1.777 11 HZ1 LYS 32 HZ1 LYS 32 11.497 17.126 0.479 12 HZ2 LYS 32 HZ2 LYS 32 10.992 17.515 2.046 13 HZ3 LYS 32 HZ3 LYS 32 11.402 15.919 1.664 No H/Q in entry = 13 In of MODEL 11 1 H ALA 33 H ALA 33 10.081 12.562 -3.252 2 HA ALA 33 HA ALA 33 9.069 11.562 -5.731 3 HB1 ALA 33 HB1 ALA 33 11.434 11.279 -5.070 4 HB2 ALA 33 HB2 ALA 33 10.650 9.758 -5.506 5 HB3 ALA 33 HB3 ALA 33 10.921 10.158 -3.811 No H/Q in entry = 5 In of MODEL 11 1 H LYS 34 H LYS 34 8.114 9.516 -6.089 2 HA LYS 34 HA LYS 34 5.995 8.850 -4.434 3 HB2 LYS 34 HB2 LYS 34 5.860 6.775 -5.778 4 HB3 LYS 34 HB3 LYS 34 6.048 8.220 -6.767 5 HG2 LYS 34 HG2 LYS 34 8.544 7.692 -6.711 6 HG3 LYS 34 HG3 LYS 34 8.062 6.093 -6.153 7 HD2 LYS 34 HD2 LYS 34 7.389 7.433 -8.761 8 HD3 LYS 34 HD3 LYS 34 8.277 5.928 -8.506 9 HE2 LYS 34 HE2 LYS 34 5.365 6.411 -7.927 10 HE3 LYS 34 HE3 LYS 34 6.016 5.480 -9.274 11 HZ1 LYS 34 HZ1 LYS 34 6.401 4.803 -6.403 12 HZ2 LYS 34 HZ2 LYS 34 5.260 4.081 -7.423 13 HZ3 LYS 34 HZ3 LYS 34 6.913 3.882 -7.729 No H/Q in entry = 13 In of MODEL 11 1 H LYS 35 H LYS 35 9.276 7.618 -4.565 2 HA LYS 35 HA LYS 35 9.034 5.482 -2.791 3 HB2 LYS 35 HB2 LYS 35 11.002 5.923 -4.222 4 HB3 LYS 35 HB3 LYS 35 11.417 7.295 -3.205 5 HG2 LYS 35 HG2 LYS 35 12.781 5.388 -2.638 6 HG3 LYS 35 HG3 LYS 35 11.698 5.779 -1.300 7 HD2 LYS 35 HD2 LYS 35 10.160 4.008 -2.073 8 HD3 LYS 35 HD3 LYS 35 11.318 3.587 -3.335 9 HE2 LYS 35 HE2 LYS 35 11.849 3.515 -0.373 10 HE3 LYS 35 HE3 LYS 35 11.485 2.112 -1.377 11 HZ1 LYS 35 HZ1 LYS 35 13.492 2.679 -2.691 12 HZ2 LYS 35 HZ2 LYS 35 13.867 3.872 -1.555 13 HZ3 LYS 35 HZ3 LYS 35 13.828 2.244 -1.093 No H/Q in entry = 13 In of MODEL 11 1 H GLU 36 H GLU 36 8.962 8.887 -2.187 2 HA GLU 36 HA GLU 36 9.749 8.659 0.584 3 HB2 GLU 36 HB2 GLU 36 8.613 11.017 -0.927 4 HB3 GLU 36 HB3 GLU 36 9.340 11.065 0.677 5 HG2 GLU 36 HG2 GLU 36 11.439 10.184 -0.365 6 HG3 GLU 36 HG3 GLU 36 10.683 10.439 -1.926 No H/Q in entry = 6 In of MODEL 11 1 H LEU 37 H LEU 37 6.949 8.737 -1.361 2 HA LEU 37 HA LEU 37 5.056 8.905 0.788 3 HB2 LEU 37 HB2 LEU 37 4.696 7.899 -2.039 4 HB3 LEU 37 HB3 LEU 37 3.412 8.344 -0.930 5 HG LEU 37 HG LEU 37 5.499 10.309 -1.858 6 HD11 LEU 37 HD11 LEU 37 4.294 9.408 -3.786 7 HD12 LEU 37 HD12 LEU 37 2.764 9.832 -3.021 8 HD13 LEU 37 HD13 LEU 37 3.899 11.099 -3.487 9 HD21 LEU 37 HD21 LEU 37 2.774 10.624 -0.607 10 HD22 LEU 37 HD22 LEU 37 4.328 10.925 0.171 11 HD23 LEU 37 HD23 LEU 37 3.800 11.943 -1.167 No H/Q in entry = 11 In of MODEL 11 1 H GLU 38 H GLU 38 6.428 6.362 -1.217 2 HA GLU 38 HA GLU 38 5.111 4.148 -0.131 3 HB2 GLU 38 HB2 GLU 38 7.866 4.411 -1.346 4 HB3 GLU 38 HB3 GLU 38 7.090 2.872 -0.994 5 HG2 GLU 38 HG2 GLU 38 5.500 3.144 -2.647 6 HG3 GLU 38 HG3 GLU 38 5.708 4.893 -2.699 No H/Q in entry = 6 In of MODEL 11 1 H ALA 39 H ALA 39 7.601 6.128 1.121 2 HA ALA 39 HA ALA 39 8.351 4.206 3.175 3 HB1 ALA 39 HB1 ALA 39 9.343 7.017 2.730 4 HB2 ALA 39 HB2 ALA 39 10.031 5.814 3.820 5 HB3 ALA 39 HB3 ALA 39 10.084 5.557 2.077 No H/Q in entry = 5 In of MODEL 11 1 H LYS 40 H LYS 40 6.727 7.326 2.920 2 HA LYS 40 HA LYS 40 6.302 7.758 5.650 3 HB2 LYS 40 HB2 LYS 40 5.988 9.442 3.842 4 HB3 LYS 40 HB3 LYS 40 4.538 8.587 3.338 5 HG2 LYS 40 HG2 LYS 40 3.938 10.499 4.664 6 HG3 LYS 40 HG3 LYS 40 3.540 9.021 5.542 7 HD2 LYS 40 HD2 LYS 40 4.528 10.465 7.124 8 HD3 LYS 40 HD3 LYS 40 5.763 9.279 6.722 9 HE2 LYS 40 HE2 LYS 40 6.757 10.893 5.144 10 HE3 LYS 40 HE3 LYS 40 5.550 12.082 5.632 11 HZ1 LYS 40 HZ1 LYS 40 7.570 10.840 7.418 12 HZ2 LYS 40 HZ2 LYS 40 7.641 12.409 6.795 13 HZ3 LYS 40 HZ3 LYS 40 6.419 11.989 7.883 No H/Q in entry = 13 In of MODEL 11 1 H ILE 41 H ILE 41 4.251 6.172 3.203 2 HA ILE 41 HA ILE 41 2.127 5.558 4.946 3 HB ILE 41 HB ILE 41 2.976 4.223 2.375 4 HG12 ILE 41 HG12 ILE 41 0.841 6.303 2.887 5 HG13 ILE 41 HG13 ILE 41 2.449 6.665 2.266 6 HG21 ILE 41 HG21 ILE 41 1.526 2.773 3.699 7 HG22 ILE 41 HG22 ILE 41 0.349 4.080 3.848 8 HG23 ILE 41 HG23 ILE 41 0.689 3.375 2.267 9 HD11 ILE 41 HD11 ILE 41 0.407 4.918 0.929 10 HD12 ILE 41 HD12 ILE 41 0.795 6.582 0.494 11 HD13 ILE 41 HD13 ILE 41 2.008 5.314 0.305 No H/Q in entry = 11 In of MODEL 11 1 H LEU 42 H LEU 42 4.958 3.671 3.906 2 HA LEU 42 HA LEU 42 4.257 1.300 5.243 3 HB2 LEU 42 HB2 LEU 42 6.893 2.400 4.328 4 HB3 LEU 42 HB3 LEU 42 6.782 0.870 5.166 5 HG LEU 42 HG LEU 42 5.584 1.568 2.490 6 HD11 LEU 42 HD11 LEU 42 7.700 -0.401 3.319 7 HD12 LEU 42 HD12 LEU 42 7.042 -0.238 1.692 8 HD13 LEU 42 HD13 LEU 42 7.951 1.090 2.417 9 HD21 LEU 42 HD21 LEU 42 5.231 -0.890 4.195 10 HD22 LEU 42 HD22 LEU 42 3.978 0.167 3.544 11 HD23 LEU 42 HD23 LEU 42 4.918 -0.863 2.457 No H/Q in entry = 11 In of MODEL 11 1 H HIS 43 H HIS 43 5.967 4.180 6.310 2 HA HIS 43 HA HIS 43 6.723 3.178 8.855 3 HB2 HIS 43 HB2 HIS 43 7.658 5.257 7.822 4 HB3 HIS 43 HB3 HIS 43 6.118 6.054 8.119 5 HD1 HIS 43 HD1 HIS 43 6.649 7.689 9.933 6 HD2 HIS 43 HD2 HIS 43 8.204 3.913 10.708 7 HE1 HIS 43 HE1 HIS 43 7.614 7.812 12.251 8 HE2 HIS 43 HE2 HIS 43 8.450 5.492 12.737 No H/Q in entry = 8 In of MODEL 11 1 H TYR 44 H TYR 44 3.865 5.092 7.804 2 HA TYR 44 HA TYR 44 2.536 5.144 10.267 3 HB2 TYR 44 HB2 TYR 44 1.433 5.055 7.456 4 HB3 TYR 44 HB3 TYR 44 0.441 5.329 8.881 5 HD1 TYR 44 HD1 TYR 44 2.653 7.020 10.287 6 HD2 TYR 44 HD2 TYR 44 0.853 7.157 6.442 7 HE1 TYR 44 HE1 TYR 44 3.155 9.416 10.149 8 HE2 TYR 44 HE2 TYR 44 1.350 9.547 6.282 9 HH TYR 44 HH TYR 44 3.505 11.119 8.277 No H/Q in entry = 9 In of MODEL 11 1 H TYR 45 H TYR 45 2.392 2.842 7.619 2 HA TYR 45 HA TYR 45 0.516 1.050 8.524 3 HB2 TYR 45 HB2 TYR 45 1.431 0.930 6.292 4 HB3 TYR 45 HB3 TYR 45 3.048 0.650 6.922 5 HD1 TYR 45 HD1 TYR 45 -0.330 -0.865 7.142 6 HD2 TYR 45 HD2 TYR 45 3.855 -1.482 6.811 7 HE1 TYR 45 HE1 TYR 45 -0.713 -3.278 6.971 8 HE2 TYR 45 HE2 TYR 45 3.490 -3.906 6.642 9 HH TYR 45 HH TYR 45 1.952 -5.571 6.924 No H/Q in entry = 9 In of MODEL 11 1 H ASP 46 H ASP 46 3.999 1.114 9.185 2 HA ASP 46 HA ASP 46 3.902 -1.289 10.712 3 HB2 ASP 46 HB2 ASP 46 5.948 0.584 9.791 4 HB3 ASP 46 HB3 ASP 46 6.279 -0.035 11.403 No H/Q in entry = 4 In of MODEL 11 1 H GLU 47 H GLU 47 3.172 1.957 11.518 2 HA GLU 47 HA GLU 47 3.689 1.473 14.349 3 HB2 GLU 47 HB2 GLU 47 2.805 3.957 12.885 4 HB3 GLU 47 HB3 GLU 47 3.024 3.858 14.622 5 HG2 GLU 47 HG2 GLU 47 5.406 3.194 14.180 6 HG3 GLU 47 HG3 GLU 47 5.119 3.606 12.490 No H/Q in entry = 6 In of MODEL 11 1 H LEU 48 H LEU 48 1.370 0.429 12.475 2 HA LEU 48 HA LEU 48 -1.011 1.576 13.467 3 HB2 LEU 48 HB2 LEU 48 -0.362 -0.898 11.906 4 HB3 LEU 48 HB3 LEU 48 -2.005 -0.503 12.343 5 HG LEU 48 HG LEU 48 -0.192 1.214 10.669 6 HD11 LEU 48 HD11 LEU 48 -2.616 -0.421 9.954 7 HD12 LEU 48 HD12 LEU 48 -1.737 0.655 8.867 8 HD13 LEU 48 HD13 LEU 48 -0.947 -0.786 9.510 9 HD21 LEU 48 HD21 LEU 48 -3.024 1.570 11.616 10 HD22 LEU 48 HD22 LEU 48 -1.643 2.626 11.917 11 HD23 LEU 48 HD23 LEU 48 -2.311 2.493 10.290 No H/Q in entry = 11 In of MODEL 11 1 H GLU 49 H GLU 49 -2.522 -0.745 13.877 2 HA GLU 49 HA GLU 49 -1.771 -1.519 16.596 3 HB2 GLU 49 HB2 GLU 49 -4.498 -0.444 15.835 4 HB3 GLU 49 HB3 GLU 49 -4.020 -1.020 17.424 5 HG2 GLU 49 HG2 GLU 49 -2.309 0.815 17.465 6 HG3 GLU 49 HG3 GLU 49 -3.058 1.440 15.995 No H/Q in entry = 6 In of MODEL 11 1 H GLY 50 H GLY 50 -4.202 -2.877 17.177 2 HA2 GLY 50 HA2 GLY 50 -5.079 -4.984 16.935 3 HA3 GLY 50 HA3 GLY 50 -3.608 -5.374 16.063 No H/Q in entry = 3 In of MODEL 11 1 H ASP 51 H ASP 51 -6.862 -4.035 15.678 2 HA ASP 51 HA ASP 51 -7.256 -5.479 13.223 3 HB2 ASP 51 HB2 ASP 51 -9.061 -4.889 14.910 4 HB3 ASP 51 HB3 ASP 51 -8.973 -3.235 14.310 No H/Q in entry = 4 In of MODEL 11 1 H ALA 52 H ALA 52 -6.127 -2.308 14.054 2 HA ALA 52 HA ALA 52 -6.728 -1.016 11.609 3 HB1 ALA 52 HB1 ALA 52 -4.434 -0.467 13.519 4 HB2 ALA 52 HB2 ALA 52 -5.013 0.622 12.259 5 HB3 ALA 52 HB3 ALA 52 -6.052 0.227 13.628 No H/Q in entry = 5 In of MODEL 11 1 H LYS 53 H LYS 53 -3.866 -2.775 12.746 2 HA LYS 53 HA LYS 53 -2.250 -2.467 10.491 3 HB2 LYS 53 HB2 LYS 53 -1.590 -3.489 12.708 4 HB3 LYS 53 HB3 LYS 53 -2.411 -4.955 12.190 5 HG2 LYS 53 HG2 LYS 53 -0.139 -5.282 11.735 6 HG3 LYS 53 HG3 LYS 53 -0.890 -4.948 10.179 7 HD2 LYS 53 HD2 LYS 53 -0.118 -2.656 10.268 8 HD3 LYS 53 HD3 LYS 53 0.554 -2.918 11.876 9 HE2 LYS 53 HE2 LYS 53 1.434 -4.294 9.343 10 HE3 LYS 53 HE3 LYS 53 2.286 -2.984 10.158 11 HZ1 LYS 53 HZ1 LYS 53 2.467 -4.472 12.117 12 HZ2 LYS 53 HZ2 LYS 53 1.825 -5.729 11.185 13 HZ3 LYS 53 HZ3 LYS 53 3.304 -5.029 10.759 No H/Q in entry = 13 In of MODEL 11 1 H LYS 54 H LYS 54 -4.349 -5.174 11.381 2 HA LYS 54 HA LYS 54 -4.148 -6.628 9.044 3 HB2 LYS 54 HB2 LYS 54 -5.503 -8.009 10.110 4 HB3 LYS 54 HB3 LYS 54 -5.563 -6.832 11.409 5 HG2 LYS 54 HG2 LYS 54 -7.618 -5.992 10.715 6 HG3 LYS 54 HG3 LYS 54 -7.472 -6.700 9.104 7 HD2 LYS 54 HD2 LYS 54 -7.561 -8.938 10.129 8 HD3 LYS 54 HD3 LYS 54 -7.820 -8.183 11.701 9 HE2 LYS 54 HE2 LYS 54 -9.960 -8.825 10.915 10 HE3 LYS 54 HE3 LYS 54 -9.858 -7.078 10.710 11 HZ1 LYS 54 HZ1 LYS 54 -9.245 -7.500 8.348 12 HZ2 LYS 54 HZ2 LYS 54 -9.563 -9.143 8.602 13 HZ3 LYS 54 HZ3 LYS 54 -10.807 -8.016 8.754 No H/Q in entry = 13 In of MODEL 11 1 H GLU 55 H GLU 55 -6.470 -4.000 9.817 2 HA GLU 55 HA GLU 55 -7.951 -4.346 7.452 3 HB2 GLU 55 HB2 GLU 55 -9.187 -2.491 8.202 4 HB3 GLU 55 HB3 GLU 55 -8.538 -3.103 9.692 5 HG2 GLU 55 HG2 GLU 55 -6.902 -1.392 9.753 6 HG3 GLU 55 HG3 GLU 55 -7.302 -0.872 8.122 No H/Q in entry = 6 In of MODEL 11 1 H ALA 56 H ALA 56 -5.365 -2.047 8.339 2 HA ALA 56 HA ALA 56 -5.305 -0.787 5.855 3 HB1 ALA 56 HB1 ALA 56 -3.057 -0.025 6.449 4 HB2 ALA 56 HB2 ALA 56 -2.982 -1.223 7.742 5 HB3 ALA 56 HB3 ALA 56 -4.144 0.102 7.832 No H/Q in entry = 5 In of MODEL 11 1 H THR 57 H THR 57 -3.384 -3.518 7.070 2 HA THR 57 HA THR 57 -1.823 -4.060 4.885 3 HB THR 57 HB THR 57 -3.185 -6.115 6.643 4 HG1 THR 57 HG1 THR 57 -2.034 -4.789 7.977 5 HG21 THR 57 HG21 THR 57 -2.154 -7.067 4.635 6 HG22 THR 57 HG22 THR 57 -0.635 -6.275 5.042 7 HG23 THR 57 HG23 THR 57 -1.282 -7.533 6.094 No H/Q in entry = 7 In of MODEL 11 1 H GLU 58 H GLU 58 -5.103 -5.178 5.523 2 HA GLU 58 HA GLU 58 -5.497 -6.661 3.154 3 HB2 GLU 58 HB2 GLU 58 -7.377 -5.350 5.114 4 HB3 GLU 58 HB3 GLU 58 -7.960 -6.258 3.720 5 HG2 GLU 58 HG2 GLU 58 -6.833 -8.247 4.539 6 HG3 GLU 58 HG3 GLU 58 -6.196 -7.333 5.909 No H/Q in entry = 6 In of MODEL 11 1 H HIS 59 H HIS 59 -5.752 -3.236 3.847 2 HA HIS 59 HA HIS 59 -7.247 -2.625 1.465 3 HB2 HIS 59 HB2 HIS 59 -5.764 -0.880 3.432 4 HB3 HIS 59 HB3 HIS 59 -6.619 -0.244 2.034 5 HD1 HIS 59 HD1 HIS 59 -9.152 -2.132 2.347 6 HD2 HIS 59 HD2 HIS 59 -7.433 0.189 5.336 7 HE1 HIS 59 HE1 HIS 59 -10.967 -1.757 4.039 8 HE2 HIS 59 HE2 HIS 59 -9.861 -0.488 5.914 No H/Q in entry = 8 In of MODEL 11 1 H LEU 60 H LEU 60 -3.897 -2.092 2.545 2 HA LEU 60 HA LEU 60 -2.806 -1.289 0.165 3 HB2 LEU 60 HB2 LEU 60 -1.723 -2.760 2.532 4 HB3 LEU 60 HB3 LEU 60 -0.704 -2.434 1.140 5 HG LEU 60 HG LEU 60 -1.254 -0.035 1.401 6 HD11 LEU 60 HD11 LEU 60 -3.303 -0.222 2.611 7 HD12 LEU 60 HD12 LEU 60 -2.425 -0.838 4.015 8 HD13 LEU 60 HD13 LEU 60 -2.144 0.815 3.451 9 HD21 LEU 60 HD21 LEU 60 0.851 -0.960 2.222 10 HD22 LEU 60 HD22 LEU 60 0.284 0.352 3.253 11 HD23 LEU 60 HD23 LEU 60 0.078 -1.322 3.766 No H/Q in entry = 11 In of MODEL 11 1 H LYS 61 H LYS 61 -3.570 -4.577 1.271 2 HA LYS 61 HA LYS 61 -2.289 -6.017 -0.752 3 HB2 LYS 61 HB2 LYS 61 -4.832 -6.553 0.779 4 HB3 LYS 61 HB3 LYS 61 -4.252 -7.661 -0.455 5 HG2 LYS 61 HG2 LYS 61 -2.144 -7.909 0.810 6 HG3 LYS 61 HG3 LYS 61 -2.817 -6.874 2.072 7 HD2 LYS 61 HD2 LYS 61 -4.659 -8.477 2.381 8 HD3 LYS 61 HD3 LYS 61 -3.949 -9.518 1.146 9 HE2 LYS 61 HE2 LYS 61 -1.919 -9.725 2.530 10 HE3 LYS 61 HE3 LYS 61 -2.684 -8.740 3.771 11 HZ1 LYS 61 HZ1 LYS 61 -4.412 -10.430 3.978 12 HZ2 LYS 61 HZ2 LYS 61 -3.638 -11.381 2.812 13 HZ3 LYS 61 HZ3 LYS 61 -2.882 -11.075 4.290 No H/Q in entry = 13 In of MODEL 11 1 H GLY 62 H GLY 62 -5.677 -4.925 -0.650 2 HA2 GLY 62 HA2 GLY 62 -7.075 -4.200 -2.312 3 HA3 GLY 62 HA3 GLY 62 -6.368 -5.486 -3.277 No H/Q in entry = 3 In of MODEL 11 1 H GLY 63 H GLY 63 -4.851 -2.542 -1.961 2 HA2 GLY 63 HA2 GLY 63 -3.527 -0.973 -2.999 3 HA3 GLY 63 HA3 GLY 63 -4.735 -1.019 -4.277 No H/Q in entry = 3 In of MODEL 11 1 H CYS 64 H CYS 64 -2.312 -3.354 -3.124 2 HA CYS 64 HA CYS 64 -0.667 -3.153 -5.421 3 HB2 CYS 64 HB2 CYS 64 0.210 -3.994 -3.322 4 HB3 CYS 64 HB3 CYS 64 -0.924 -5.340 -3.349 No H/Q in entry = 4 In of MODEL 11 1 H ARG 65 H ARG 65 -3.413 -5.156 -4.568 2 HA ARG 65 HA ARG 65 -3.311 -6.989 -6.689 3 HB2 ARG 65 HB2 ARG 65 -4.767 -7.240 -4.714 4 HB3 ARG 65 HB3 ARG 65 -5.721 -5.864 -5.238 5 HG2 ARG 65 HG2 ARG 65 -5.443 -8.213 -7.050 6 HG3 ARG 65 HG3 ARG 65 -6.539 -8.301 -5.672 7 HD2 ARG 65 HD2 ARG 65 -7.667 -6.262 -6.473 8 HD3 ARG 65 HD3 ARG 65 -6.595 -6.237 -7.872 9 HE ARG 65 HE ARG 65 -7.833 -8.731 -7.788 10 HH11 ARG 65 HH11 ARG 65 -8.741 -5.372 -8.222 11 HH12 ARG 65 HH12 ARG 65 -10.091 -5.751 -9.257 12 HH21 ARG 65 HH21 ARG 65 -9.593 -9.223 -9.155 13 HH22 ARG 65 HH22 ARG 65 -10.565 -7.937 -9.794 No H/Q in entry = 13 In of MODEL 11 1 H GLU 66 H GLU 66 -4.697 -3.746 -6.453 2 HA GLU 66 HA GLU 66 -5.869 -3.699 -9.028 3 HB2 GLU 66 HB2 GLU 66 -4.830 -1.388 -7.377 4 HB3 GLU 66 HB3 GLU 66 -5.912 -1.260 -8.755 5 HG2 GLU 66 HG2 GLU 66 -6.523 -2.641 -6.154 6 HG3 GLU 66 HG3 GLU 66 -7.111 -1.056 -6.653 No H/Q in entry = 6 In of MODEL 11 1 H ILE 67 H ILE 67 -2.670 -2.891 -7.812 2 HA ILE 67 HA ILE 67 -1.631 -1.921 -10.268 3 HB ILE 67 HB ILE 67 -0.272 -3.072 -7.837 4 HG12 ILE 67 HG12 ILE 67 -0.475 -0.262 -8.937 5 HG13 ILE 67 HG13 ILE 67 -1.427 -0.904 -7.603 6 HG21 ILE 67 HG21 ILE 67 1.138 -3.510 -9.803 7 HG22 ILE 67 HG22 ILE 67 1.046 -1.807 -10.245 8 HG23 ILE 67 HG23 ILE 67 1.855 -2.287 -8.753 9 HD11 ILE 67 HD11 ILE 67 0.610 -1.205 -6.300 10 HD12 ILE 67 HD12 ILE 67 1.558 -0.556 -7.639 11 HD13 ILE 67 HD13 ILE 67 0.393 0.472 -6.803 No H/Q in entry = 11 In of MODEL 11 1 H LEU 68 H LEU 68 -1.674 -5.122 -8.752 2 HA LEU 68 HA LEU 68 -0.241 -6.439 -10.797 3 HB2 LEU 68 HB2 LEU 68 -0.755 -7.296 -8.468 4 HB3 LEU 68 HB3 LEU 68 -2.367 -7.666 -9.051 5 HG LEU 68 HG LEU 68 -1.457 -9.236 -10.672 6 HD11 LEU 68 HD11 LEU 68 1.224 -8.478 -9.517 7 HD12 LEU 68 HD12 LEU 68 0.930 -9.775 -10.675 8 HD13 LEU 68 HD13 LEU 68 0.646 -8.096 -11.139 9 HD21 LEU 68 HD21 LEU 68 -1.987 -10.052 -8.435 10 HD22 LEU 68 HD22 LEU 68 -0.608 -10.916 -9.116 11 HD23 LEU 68 HD23 LEU 68 -0.352 -9.665 -7.899 No H/Q in entry = 11 In of MODEL 11 1 H LYS 69 H LYS 69 -3.614 -5.657 -10.327 2 HA LYS 69 HA LYS 69 -4.663 -6.991 -12.555 3 HB2 LYS 69 HB2 LYS 69 -5.951 -5.904 -10.659 4 HB3 LYS 69 HB3 LYS 69 -5.654 -4.360 -11.450 5 HG2 LYS 69 HG2 LYS 69 -6.782 -5.260 -13.475 6 HG3 LYS 69 HG3 LYS 69 -7.198 -6.692 -12.533 7 HD2 LYS 69 HD2 LYS 69 -8.457 -5.324 -10.966 8 HD3 LYS 69 HD3 LYS 69 -7.996 -3.864 -11.845 9 HE2 LYS 69 HE2 LYS 69 -9.153 -4.721 -13.836 10 HE3 LYS 69 HE3 LYS 69 -9.643 -6.145 -12.924 11 HZ1 LYS 69 HZ1 LYS 69 -10.870 -4.699 -11.414 12 HZ2 LYS 69 HZ2 LYS 69 -10.415 -3.346 -12.318 13 HZ3 LYS 69 HZ3 LYS 69 -11.413 -4.520 -13.006 No H/Q in entry = 13 In of MODEL 11 1 H HIS 70 H HIS 70 -2.530 -4.417 -12.366 2 HA HIS 70 HA HIS 70 -3.258 -3.324 -14.981 3 HB2 HIS 70 HB2 HIS 70 -3.002 -1.671 -13.210 4 HB3 HIS 70 HB3 HIS 70 -1.400 -2.285 -12.829 5 HD1 HIS 70 HD1 HIS 70 -3.140 0.170 -14.880 6 HD2 HIS 70 HD2 HIS 70 0.538 -1.769 -14.942 7 HE1 HIS 70 HE1 HIS 70 -1.681 1.551 -16.383 8 HE2 HIS 70 HE2 HIS 70 0.474 0.260 -16.559 No H/Q in entry = 8 In of MODEL 11 1 H VAL 71 H VAL 71 -0.472 -4.470 -13.112 2 HA VAL 71 HA VAL 71 1.306 -4.313 -15.299 3 HB VAL 71 HB VAL 71 2.084 -3.907 -13.062 4 HG11 VAL 71 HG11 VAL 71 1.287 -6.703 -12.477 5 HG12 VAL 71 HG12 VAL 71 2.396 -5.765 -11.468 6 HG13 VAL 71 HG13 VAL 71 0.734 -5.209 -11.720 7 HG21 VAL 71 HG21 VAL 71 3.691 -4.748 -14.626 8 HG22 VAL 71 HG22 VAL 71 4.039 -5.323 -12.995 9 HG23 VAL 71 HG23 VAL 71 3.285 -6.402 -14.169 No H/Q in entry = 9 In of MODEL 11 1 H VAL 72 H VAL 72 -0.195 -7.083 -13.604 2 HA VAL 72 HA VAL 72 1.052 -8.871 -15.525 3 HB VAL 72 HB VAL 72 0.693 -9.209 -12.904 4 HG11 VAL 72 HG11 VAL 72 -1.732 -10.515 -14.089 5 HG12 VAL 72 HG12 VAL 72 -1.120 -10.774 -12.453 6 HG13 VAL 72 HG13 VAL 72 -1.708 -9.184 -12.933 7 HG21 VAL 72 HG21 VAL 72 0.631 -11.356 -14.984 8 HG22 VAL 72 HG22 VAL 72 2.053 -10.590 -14.282 9 HG23 VAL 72 HG23 VAL 72 1.019 -11.606 -13.284 No H/Q in entry = 9 In of MODEL 11 1 H GLY 73 H GLY 73 -1.942 -7.324 -14.937 2 HA2 GLY 73 HA2 GLY 73 -3.063 -8.638 -17.287 3 HA3 GLY 73 HA3 GLY 73 -3.637 -7.148 -16.556 No H/Q in entry = 3 In of MODEL 11 1 H GLU 74 H GLU 74 -5.674 -8.454 -17.019 2 HA GLU 74 HA GLU 74 -6.791 -9.306 -14.584 3 HB2 GLU 74 HB2 GLU 74 -7.760 -9.736 -17.420 4 HB3 GLU 74 HB3 GLU 74 -8.712 -10.079 -15.986 5 HG2 GLU 74 HG2 GLU 74 -9.445 -7.996 -16.814 6 HG3 GLU 74 HG3 GLU 74 -8.494 -7.659 -15.371 No H/Q in entry = 6 In of MODEL 11 1 H GLU 75 H GLU 75 -5.359 -11.024 -17.264 2 HA GLU 75 HA GLU 75 -6.145 -13.629 -17.000 3 HB2 GLU 75 HB2 GLU 75 -4.663 -12.953 -18.744 4 HB3 GLU 75 HB3 GLU 75 -3.403 -12.545 -17.589 5 HG2 GLU 75 HG2 GLU 75 -3.127 -14.856 -16.993 6 HG3 GLU 75 HG3 GLU 75 -4.492 -15.318 -18.012 No H/Q in entry = 6 In of MODEL 11 1 H LYS 76 H LYS 76 -3.214 -12.382 -15.357 2 HA LYS 76 HA LYS 76 -2.911 -14.911 -14.068 3 HB2 LYS 76 HB2 LYS 76 -1.380 -12.354 -13.586 4 HB3 LYS 76 HB3 LYS 76 -0.904 -13.976 -13.136 5 HG2 LYS 76 HG2 LYS 76 -1.202 -12.928 -15.929 6 HG3 LYS 76 HG3 LYS 76 0.306 -13.290 -15.093 7 HD2 LYS 76 HD2 LYS 76 -1.828 -15.343 -15.658 8 HD3 LYS 76 HD3 LYS 76 -0.449 -15.044 -16.719 9 HE2 LYS 76 HE2 LYS 76 1.055 -15.585 -14.843 10 HE3 LYS 76 HE3 LYS 76 -0.346 -15.947 -13.845 11 HZ1 LYS 76 HZ1 LYS 76 0.286 -17.333 -16.389 12 HZ2 LYS 76 HZ2 LYS 76 0.681 -17.934 -14.860 13 HZ3 LYS 76 HZ3 LYS 76 -0.946 -17.727 -15.296 No H/Q in entry = 13 In of MODEL 11 1 H ALA 77 H ALA 77 -3.965 -11.690 -13.103 2 HA ALA 77 HA ALA 77 -4.132 -12.173 -10.329 3 HB1 ALA 77 HB1 ALA 77 -5.567 -10.206 -10.257 4 HB2 ALA 77 HB2 ALA 77 -5.758 -10.264 -12.010 5 HB3 ALA 77 HB3 ALA 77 -4.176 -9.923 -11.305 No H/Q in entry = 5 In of MODEL 11 1 H ALA 78 H ALA 78 -6.225 -12.932 -13.007 2 HA ALA 78 HA ALA 78 -8.531 -13.613 -11.491 3 HB1 ALA 78 HB1 ALA 78 -9.208 -14.790 -13.597 4 HB2 ALA 78 HB2 ALA 78 -8.775 -13.092 -13.808 5 HB3 ALA 78 HB3 ALA 78 -7.633 -14.354 -14.271 No H/Q in entry = 5 In of MODEL 11 1 H GLU 79 H GLU 79 -5.810 -15.477 -12.803 2 HA GLU 79 HA GLU 79 -6.878 -17.966 -11.900 3 HB2 GLU 79 HB2 GLU 79 -5.127 -18.984 -12.966 4 HB3 GLU 79 HB3 GLU 79 -5.269 -17.486 -13.870 5 HG2 GLU 79 HG2 GLU 79 -3.482 -16.535 -12.531 6 HG3 GLU 79 HG3 GLU 79 -3.310 -18.080 -11.708 No H/Q in entry = 6 In of MODEL 11 1 H LEU 80 H LEU 80 -4.803 -15.556 -10.550 2 HA LEU 80 HA LEU 80 -3.989 -16.995 -8.266 3 HB2 LEU 80 HB2 LEU 80 -4.402 -14.075 -8.854 4 HB3 LEU 80 HB3 LEU 80 -3.870 -14.631 -7.279 5 HG LEU 80 HG LEU 80 -2.375 -15.402 -9.764 6 HD11 LEU 80 HD11 LEU 80 -2.043 -12.892 -8.132 7 HD12 LEU 80 HD12 LEU 80 -0.871 -13.497 -9.307 8 HD13 LEU 80 HD13 LEU 80 -2.479 -13.004 -9.839 9 HD21 LEU 80 HD21 LEU 80 -1.941 -16.604 -7.690 10 HD22 LEU 80 HD22 LEU 80 -0.546 -15.643 -8.186 11 HD23 LEU 80 HD23 LEU 80 -1.588 -15.080 -6.878 No H/Q in entry = 11 In of MODEL 11 1 H LYS 81 H LYS 81 -6.832 -15.006 -8.953 2 HA LYS 81 HA LYS 81 -7.906 -14.986 -6.363 3 HB2 LYS 81 HB2 LYS 81 -8.651 -13.453 -8.118 4 HB3 LYS 81 HB3 LYS 81 -9.324 -14.796 -9.028 5 HG2 LYS 81 HG2 LYS 81 -11.045 -13.524 -7.847 6 HG3 LYS 81 HG3 LYS 81 -10.961 -15.196 -7.290 7 HD2 LYS 81 HD2 LYS 81 -9.712 -14.515 -5.329 8 HD3 LYS 81 HD3 LYS 81 -9.669 -12.848 -5.901 9 HE2 LYS 81 HE2 LYS 81 -11.377 -13.134 -4.191 10 HE3 LYS 81 HE3 LYS 81 -12.105 -12.733 -5.743 11 HZ1 LYS 81 HZ1 LYS 81 -11.911 -15.474 -4.608 12 HZ2 LYS 81 HZ2 LYS 81 -13.299 -14.501 -4.593 13 HZ3 LYS 81 HZ3 LYS 81 -12.664 -15.044 -6.063 No H/Q in entry = 13 In of MODEL 11 1 H ASN 82 H ASN 82 -8.646 -17.108 -9.132 2 HA ASN 82 HA ASN 82 -10.418 -18.756 -7.665 3 HB2 ASN 82 HB2 ASN 82 -10.322 -18.631 -10.185 4 HB3 ASN 82 HB3 ASN 82 -8.794 -19.490 -10.119 5 HD21 ASN 82 HD21 ASN 82 -9.603 -21.172 -11.360 6 HD22 ASN 82 HD22 ASN 82 -10.706 -22.338 -10.716 No H/Q in entry = 6 In of MODEL 11 1 H LEU 83 H LEU 83 -6.934 -18.800 -8.175 2 HA LEU 83 HA LEU 83 -6.424 -21.401 -7.278 3 HB2 LEU 83 HB2 LEU 83 -4.887 -19.204 -8.005 4 HB3 LEU 83 HB3 LEU 83 -4.464 -19.484 -6.327 5 HG LEU 83 HG LEU 83 -4.211 -21.449 -8.608 6 HD11 LEU 83 HD11 LEU 83 -2.166 -20.069 -6.886 7 HD12 LEU 83 HD12 LEU 83 -1.822 -21.304 -8.095 8 HD13 LEU 83 HD13 LEU 83 -2.494 -19.751 -8.589 9 HD21 LEU 83 HD21 LEU 83 -4.901 -22.550 -6.489 10 HD22 LEU 83 HD22 LEU 83 -3.296 -23.024 -7.046 11 HD23 LEU 83 HD23 LEU 83 -3.465 -21.875 -5.721 No H/Q in entry = 11 In of MODEL 11 1 H LYS 84 H LYS 84 -6.462 -18.346 -5.459 2 HA LYS 84 HA LYS 84 -5.986 -19.297 -2.926 3 HB2 LYS 84 HB2 LYS 84 -6.159 -16.904 -3.545 4 HB3 LYS 84 HB3 LYS 84 -7.906 -17.078 -3.635 5 HG2 LYS 84 HG2 LYS 84 -8.027 -17.587 -1.289 6 HG3 LYS 84 HG3 LYS 84 -6.270 -17.574 -1.158 7 HD2 LYS 84 HD2 LYS 84 -6.259 -15.197 -1.776 8 HD3 LYS 84 HD3 LYS 84 -8.021 -15.222 -1.870 9 HE2 LYS 84 HE2 LYS 84 -6.367 -15.786 0.589 10 HE3 LYS 84 HE3 LYS 84 -7.256 -14.299 0.260 11 HZ1 LYS 84 HZ1 LYS 84 -9.311 -15.586 0.267 12 HZ2 LYS 84 HZ2 LYS 84 -8.448 -16.998 0.618 13 HZ3 LYS 84 HZ3 LYS 84 -8.495 -15.733 1.738 No H/Q in entry = 13 In of MODEL 11 1 H ASP 85 H ASP 85 -9.178 -18.902 -4.454 2 HA ASP 85 HA ASP 85 -10.586 -19.967 -2.227 3 HB2 ASP 85 HB2 ASP 85 -11.405 -19.427 -5.071 4 HB3 ASP 85 HB3 ASP 85 -12.514 -20.107 -3.884 No H/Q in entry = 4 In of MODEL 11 1 H SER 86 H SER 86 -9.104 -21.458 -4.999 2 HA SER 86 HA SER 86 -10.431 -23.986 -4.609 3 HB2 SER 86 HB2 SER 86 -7.963 -23.285 -6.221 4 HB3 SER 86 HB3 SER 86 -8.803 -24.834 -6.274 5 HG SER 86 HG SER 86 -10.001 -22.327 -6.900 No H/Q in entry = 5 In of MODEL 11 1 H GLY 87 H GLY 87 -7.964 -22.357 -3.042 2 HA2 GLY 87 HA2 GLY 87 -7.177 -24.880 -1.717 3 HA3 GLY 87 HA3 GLY 87 -7.463 -23.384 -0.843 No H/Q in entry = 3 In of MODEL 11 1 H ALA 88 H ALA 88 -6.095 -21.626 -2.601 2 HA ALA 88 HA ALA 88 -3.386 -22.595 -2.559 3 HB1 ALA 88 HB1 ALA 88 -4.131 -19.731 -3.032 4 HB2 ALA 88 HB2 ALA 88 -4.317 -20.964 -4.278 5 HB3 ALA 88 HB3 ALA 88 -2.724 -20.621 -3.606 No H/Q in entry = 5 In of MODEL 11 1 H SER 89 H SER 89 -2.210 -22.511 -0.800 2 HA SER 89 HA SER 89 -2.907 -21.045 1.536 3 HB2 SER 89 HB2 SER 89 -0.708 -21.906 2.363 4 HB3 SER 89 HB3 SER 89 -1.779 -23.168 1.772 5 HG SER 89 HG SER 89 0.324 -23.452 0.972 No H/Q in entry = 5 In of MODEL 11 1 H LYS 90 H LYS 90 -0.959 -19.694 2.566 2 HA LYS 90 HA LYS 90 -0.776 -17.365 1.037 3 HB2 LYS 90 HB2 LYS 90 0.843 -16.573 2.711 4 HB3 LYS 90 HB3 LYS 90 -0.558 -17.318 3.460 5 HG2 LYS 90 HG2 LYS 90 0.701 -19.332 3.901 6 HG3 LYS 90 HG3 LYS 90 2.100 -18.667 3.056 7 HD2 LYS 90 HD2 LYS 90 2.290 -16.901 4.706 8 HD3 LYS 90 HD3 LYS 90 0.839 -17.477 5.523 9 HE2 LYS 90 HE2 LYS 90 1.964 -19.599 6.009 10 HE3 LYS 90 HE3 LYS 90 3.415 -19.010 5.200 11 HZ1 LYS 90 HZ1 LYS 90 2.197 -17.688 7.555 12 HZ2 LYS 90 HZ2 LYS 90 3.456 -18.809 7.655 13 HZ3 LYS 90 HZ3 LYS 90 3.691 -17.341 6.852 No H/Q in entry = 13 In of MODEL 11 1 H GLU 91 H GLU 91 1.354 -20.142 1.237 2 HA GLU 91 HA GLU 91 3.516 -18.810 -0.082 3 HB2 GLU 91 HB2 GLU 91 3.075 -21.716 0.586 4 HB3 GLU 91 HB3 GLU 91 4.550 -21.088 -0.138 5 HG2 GLU 91 HG2 GLU 91 4.965 -19.713 1.792 6 HG3 GLU 91 HG3 GLU 91 3.429 -20.195 2.505 No H/Q in entry = 6 In of MODEL 11 1 H GLU 92 H GLU 92 1.032 -21.130 -1.106 2 HA GLU 92 HA GLU 92 1.824 -21.557 -3.715 3 HB2 GLU 92 HB2 GLU 92 -0.973 -21.268 -2.620 4 HB3 GLU 92 HB3 GLU 92 -0.532 -22.040 -4.127 5 HG2 GLU 92 HG2 GLU 92 0.414 -22.958 -1.445 6 HG3 GLU 92 HG3 GLU 92 -1.011 -23.579 -2.264 No H/Q in entry = 6 In of MODEL 11 1 H LEU 93 H LEU 93 -0.151 -18.978 -2.292 2 HA LEU 93 HA LEU 93 -0.281 -17.520 -4.749 3 HB2 LEU 93 HB2 LEU 93 -0.728 -16.614 -1.910 4 HB3 LEU 93 HB3 LEU 93 -0.935 -15.566 -3.305 5 HG LEU 93 HG LEU 93 -2.551 -17.986 -2.541 6 HD11 LEU 93 HD11 LEU 93 -3.283 -15.155 -3.237 7 HD12 LEU 93 HD12 LEU 93 -4.419 -16.446 -2.835 8 HD13 LEU 93 HD13 LEU 93 -3.271 -15.869 -1.623 9 HD21 LEU 93 HD21 LEU 93 -2.451 -16.625 -5.230 10 HD22 LEU 93 HD22 LEU 93 -2.075 -18.312 -4.871 11 HD23 LEU 93 HD23 LEU 93 -3.728 -17.724 -4.710 No H/Q in entry = 11 In of MODEL 11 1 H LYS 94 H LYS 94 2.119 -17.675 -2.169 2 HA LYS 94 HA LYS 94 3.496 -15.328 -2.983 3 HB2 LYS 94 HB2 LYS 94 3.831 -16.328 -0.768 4 HB3 LYS 94 HB3 LYS 94 4.517 -17.765 -1.511 5 HG2 LYS 94 HG2 LYS 94 6.340 -16.361 -2.430 6 HG3 LYS 94 HG3 LYS 94 5.681 -14.990 -1.533 7 HD2 LYS 94 HD2 LYS 94 6.069 -16.111 0.561 8 HD3 LYS 94 HD3 LYS 94 6.555 -17.587 -0.270 9 HE2 LYS 94 HE2 LYS 94 7.987 -14.935 -0.315 10 HE3 LYS 94 HE3 LYS 94 8.508 -16.397 0.520 11 HZ1 LYS 94 HZ1 LYS 94 8.542 -17.472 -1.737 12 HZ2 LYS 94 HZ2 LYS 94 8.362 -15.928 -2.408 13 HZ3 LYS 94 HZ3 LYS 94 9.727 -16.298 -1.473 No H/Q in entry = 13 In of MODEL 11 1 H ALA 95 H ALA 95 3.808 -18.738 -3.732 2 HA ALA 95 HA ALA 95 6.054 -18.208 -5.454 3 HB1 ALA 95 HB1 ALA 95 6.060 -20.215 -4.028 4 HB2 ALA 95 HB2 ALA 95 6.146 -20.654 -5.734 5 HB3 ALA 95 HB3 ALA 95 4.617 -20.801 -4.864 No H/Q in entry = 5 In of MODEL 11 1 H LYS 96 H LYS 96 2.637 -18.711 -5.735 2 HA LYS 96 HA LYS 96 2.683 -18.830 -8.569 3 HB2 LYS 96 HB2 LYS 96 0.678 -19.233 -7.070 4 HB3 LYS 96 HB3 LYS 96 0.534 -17.485 -6.945 5 HG2 LYS 96 HG2 LYS 96 -0.978 -18.293 -8.621 6 HG3 LYS 96 HG3 LYS 96 0.303 -17.354 -9.393 7 HD2 LYS 96 HD2 LYS 96 1.429 -19.359 -10.087 8 HD3 LYS 96 HD3 LYS 96 0.296 -20.360 -9.177 9 HE2 LYS 96 HE2 LYS 96 -1.530 -19.548 -10.608 10 HE3 LYS 96 HE3 LYS 96 -0.363 -18.614 -11.542 11 HZ1 LYS 96 HZ1 LYS 96 -0.320 -21.563 -11.233 12 HZ2 LYS 96 HZ2 LYS 96 -0.921 -20.735 -12.578 13 HZ3 LYS 96 HZ3 LYS 96 0.725 -20.642 -12.193 No H/Q in entry = 13 In of MODEL 11 1 H VAL 97 H VAL 97 2.146 -16.128 -6.398 2 HA VAL 97 HA VAL 97 1.931 -14.061 -8.156 3 HB VAL 97 HB VAL 97 1.822 -14.154 -5.540 4 HG11 VAL 97 HG11 VAL 97 4.480 -13.009 -6.173 5 HG12 VAL 97 HG12 VAL 97 3.655 -12.760 -4.632 6 HG13 VAL 97 HG13 VAL 97 4.125 -14.385 -5.143 7 HG21 VAL 97 HG21 VAL 97 0.908 -12.391 -6.972 8 HG22 VAL 97 HG22 VAL 97 1.679 -11.730 -5.530 9 HG23 VAL 97 HG23 VAL 97 2.514 -11.667 -7.080 No H/Q in entry = 9 In of MODEL 11 1 H GLU 98 H GLU 98 4.909 -15.481 -6.999 2 HA GLU 98 HA GLU 98 6.528 -13.478 -8.201 3 HB2 GLU 98 HB2 GLU 98 7.158 -16.202 -7.094 4 HB3 GLU 98 HB3 GLU 98 8.389 -15.126 -7.758 5 HG2 GLU 98 HG2 GLU 98 7.845 -13.431 -6.145 6 HG3 GLU 98 HG3 GLU 98 6.496 -14.381 -5.534 No H/Q in entry = 6 In of MODEL 11 1 H GLU 99 H GLU 99 5.463 -16.686 -9.262 2 HA GLU 99 HA GLU 99 6.812 -16.713 -11.734 3 HB2 GLU 99 HB2 GLU 99 4.141 -17.880 -10.940 4 HB3 GLU 99 HB3 GLU 99 4.926 -18.197 -12.478 5 HG2 GLU 99 HG2 GLU 99 6.832 -19.183 -11.272 6 HG3 GLU 99 HG3 GLU 99 5.979 -18.914 -9.751 No H/Q in entry = 6 In of MODEL 11 1 H ALA 100 H ALA 100 3.670 -15.400 -10.768 2 HA ALA 100 HA ALA 100 2.885 -14.476 -13.313 3 HB1 ALA 100 HB1 ALA 100 2.104 -13.394 -10.609 4 HB2 ALA 100 HB2 ALA 100 1.348 -14.767 -11.416 5 HB3 ALA 100 HB3 ALA 100 1.235 -13.155 -12.122 No H/Q in entry = 5 In of MODEL 11 1 H LEU 101 H LEU 101 4.374 -12.750 -10.583 2 HA LEU 101 HA LEU 101 4.716 -10.275 -11.814 3 HB2 LEU 101 HB2 LEU 101 5.986 -11.690 -9.525 4 HB3 LEU 101 HB3 LEU 101 6.733 -10.219 -10.110 5 HG LEU 101 HG LEU 101 5.125 -10.018 -8.148 6 HD11 LEU 101 HD11 LEU 101 4.686 -8.336 -10.610 7 HD12 LEU 101 HD12 LEU 101 4.211 -7.887 -8.972 8 HD13 LEU 101 HD13 LEU 101 5.916 -8.086 -9.372 9 HD21 LEU 101 HD21 LEU 101 3.346 -11.445 -9.026 10 HD22 LEU 101 HD22 LEU 101 2.765 -9.820 -8.662 11 HD23 LEU 101 HD23 LEU 101 3.076 -10.293 -10.333 No H/Q in entry = 11 In of MODEL 11 1 H HIS 102 H HIS 102 6.484 -13.219 -12.319 2 HA HIS 102 HA HIS 102 8.556 -11.687 -13.630 3 HB2 HIS 102 HB2 HIS 102 8.288 -14.568 -12.921 4 HB3 HIS 102 HB3 HIS 102 9.382 -14.116 -14.228 5 HD1 HIS 102 HD1 HIS 102 11.686 -13.529 -13.507 6 HD2 HIS 102 HD2 HIS 102 8.918 -13.032 -10.446 7 HE1 HIS 102 HE1 HIS 102 13.019 -12.861 -11.489 8 HE2 HIS 102 HE2 HIS 102 11.308 -12.391 -9.704 No H/Q in entry = 8 In of MODEL 11 1 H ALA 103 H ALA 103 6.034 -14.050 -14.510 2 HA ALA 103 HA ALA 103 6.778 -14.229 -17.191 3 HB1 ALA 103 HB1 ALA 103 4.041 -14.746 -16.049 4 HB2 ALA 103 HB2 ALA 103 5.396 -15.872 -15.947 5 HB3 ALA 103 HB3 ALA 103 4.728 -15.434 -17.520 No H/Q in entry = 5 In of MODEL 11 1 H VAL 104 H VAL 104 5.494 -11.524 -15.748 2 HA VAL 104 HA VAL 104 3.667 -10.667 -17.707 3 HB VAL 104 HB VAL 104 3.352 -9.520 -15.775 4 HG11 VAL 104 HG11 VAL 104 6.315 -9.341 -15.429 5 HG12 VAL 104 HG12 VAL 104 5.131 -8.635 -14.333 6 HG13 VAL 104 HG13 VAL 104 5.191 -10.381 -14.561 7 HG21 VAL 104 HG21 VAL 104 3.752 -7.859 -17.655 8 HG22 VAL 104 HG22 VAL 104 3.903 -7.217 -16.021 9 HG23 VAL 104 HG23 VAL 104 5.357 -7.585 -16.958 No H/Q in entry = 9 In of MODEL 11 1 H THR 105 H THR 105 6.679 -9.061 -16.965 2 HA THR 105 HA THR 105 8.399 -8.298 -18.154 3 HB THR 105 HB THR 105 9.124 -9.252 -20.193 4 HG1 THR 105 HG1 THR 105 6.414 -9.766 -20.590 5 HG21 THR 105 HG21 THR 105 7.670 -11.364 -18.603 6 HG22 THR 105 HG22 THR 105 8.984 -11.665 -19.746 7 HG23 THR 105 HG23 THR 105 9.288 -10.734 -18.279 No H/Q in entry = 7 In of MODEL 11 1 H ASP 106 H ASP 106 8.576 -6.441 -18.725 2 HA ASP 106 HA ASP 106 8.363 -5.082 -21.011 3 HB2 ASP 106 HB2 ASP 106 5.917 -5.500 -21.085 4 HB3 ASP 106 HB3 ASP 106 5.744 -4.779 -19.502 No H/Q in entry = 4 In of MODEL 11 1 H GLU 107 H GLU 107 9.002 -2.929 -20.626 2 HA GLU 107 HA GLU 107 10.526 -2.858 -18.301 3 HB2 GLU 107 HB2 GLU 107 11.147 -1.780 -20.436 4 HB3 GLU 107 HB3 GLU 107 9.909 -0.566 -20.169 5 HG2 GLU 107 HG2 GLU 107 12.056 0.330 -19.590 6 HG3 GLU 107 HG3 GLU 107 11.083 0.151 -18.131 No H/Q in entry = 6 In of MODEL 11 1 H GLU 108 H GLU 108 7.586 -1.004 -19.115 2 HA GLU 108 HA GLU 108 7.617 0.468 -16.678 3 HB2 GLU 108 HB2 GLU 108 5.371 -0.018 -18.636 4 HB3 GLU 108 HB3 GLU 108 5.369 1.186 -17.355 5 HG2 GLU 108 HG2 GLU 108 7.214 2.346 -18.395 6 HG3 GLU 108 HG3 GLU 108 7.310 1.111 -19.649 No H/Q in entry = 6 In of MODEL 11 1 H LYS 109 H LYS 109 5.990 -2.497 -17.766 2 HA LYS 109 HA LYS 109 4.408 -2.963 -15.508 3 HB2 LYS 109 HB2 LYS 109 5.723 -4.679 -17.576 4 HB3 LYS 109 HB3 LYS 109 4.996 -5.446 -16.181 5 HG2 LYS 109 HG2 LYS 109 3.470 -5.442 -18.057 6 HG3 LYS 109 HG3 LYS 109 2.847 -4.450 -16.751 7 HD2 LYS 109 HD2 LYS 109 3.532 -2.439 -17.893 8 HD3 LYS 109 HD3 LYS 109 4.277 -3.397 -19.178 9 HE2 LYS 109 HE2 LYS 109 2.067 -4.333 -19.727 10 HE3 LYS 109 HE3 LYS 109 1.344 -3.327 -18.473 11 HZ1 LYS 109 HZ1 LYS 109 2.097 -1.369 -19.677 12 HZ2 LYS 109 HZ2 LYS 109 2.769 -2.340 -20.882 13 HZ3 LYS 109 HZ3 LYS 109 1.095 -2.323 -20.647 No H/Q in entry = 13 In of MODEL 11 1 H LYS 110 H LYS 110 7.639 -4.148 -16.284 2 HA LYS 110 HA LYS 110 8.241 -5.240 -13.772 3 HB2 LYS 110 HB2 LYS 110 10.099 -4.184 -15.903 4 HB3 LYS 110 HB3 LYS 110 10.578 -5.224 -14.569 5 HG2 LYS 110 HG2 LYS 110 9.111 -6.990 -15.434 6 HG3 LYS 110 HG3 LYS 110 8.660 -5.939 -16.781 7 HD2 LYS 110 HD2 LYS 110 11.495 -6.764 -16.184 8 HD3 LYS 110 HD3 LYS 110 10.443 -7.642 -17.293 9 HE2 LYS 110 HE2 LYS 110 10.217 -5.655 -18.672 10 HE3 LYS 110 HE3 LYS 110 11.209 -4.736 -17.543 11 HZ1 LYS 110 HZ1 LYS 110 12.164 -7.132 -19.005 12 HZ2 LYS 110 HZ2 LYS 110 12.400 -5.545 -19.541 13 HZ3 LYS 110 HZ3 LYS 110 13.094 -6.058 -18.085 No H/Q in entry = 13 In of MODEL 11 1 H GLN 111 H GLN 111 8.091 -1.998 -14.769 2 HA GLN 111 HA GLN 111 9.800 -0.854 -12.807 3 HB2 GLN 111 HB2 GLN 111 8.652 0.269 -14.844 4 HB3 GLN 111 HB3 GLN 111 7.261 0.440 -13.790 5 HG2 GLN 111 HG2 GLN 111 9.963 1.522 -13.060 6 HG3 GLN 111 HG3 GLN 111 8.813 2.433 -14.030 7 HE21 GLN 111 HE21 GLN 111 9.675 1.364 -10.885 8 HE22 GLN 111 HE22 GLN 111 8.418 2.185 -10.024 No H/Q in entry = 8 In of MODEL 11 1 H TYR 112 H TYR 112 6.420 -1.878 -12.810 2 HA TYR 112 HA TYR 112 5.843 -1.005 -10.118 3 HB2 TYR 112 HB2 TYR 112 4.425 -3.136 -11.744 4 HB3 TYR 112 HB3 TYR 112 3.781 -2.250 -10.372 5 HD1 TYR 112 HD1 TYR 112 4.055 0.450 -10.785 6 HD2 TYR 112 HD2 TYR 112 3.526 -2.524 -13.774 7 HE1 TYR 112 HE1 TYR 112 3.119 2.146 -12.295 8 HE2 TYR 112 HE2 TYR 112 2.597 -0.836 -15.301 9 HH TYR 112 HH TYR 112 1.398 1.439 -15.012 No H/Q in entry = 9 In of MODEL 11 1 H ILE 113 H ILE 113 6.996 -3.917 -11.672 2 HA ILE 113 HA ILE 113 6.751 -5.706 -9.543 3 HB ILE 113 HB ILE 113 8.889 -5.653 -11.671 4 HG12 ILE 113 HG12 ILE 113 6.163 -6.964 -11.611 5 HG13 ILE 113 HG13 ILE 113 6.614 -5.568 -12.585 6 HG21 ILE 113 HG21 ILE 113 7.870 -7.905 -9.940 7 HG22 ILE 113 HG22 ILE 113 9.005 -8.079 -11.277 8 HG23 ILE 113 HG23 ILE 113 9.461 -7.151 -9.848 9 HD11 ILE 113 HD11 ILE 113 8.393 -7.097 -13.588 10 HD12 ILE 113 HD12 ILE 113 7.464 -8.405 -12.867 11 HD13 ILE 113 HD13 ILE 113 6.712 -7.347 -14.056 No H/Q in entry = 11 In of MODEL 11 1 H ALA 114 H ALA 114 9.440 -3.593 -10.507 2 HA ALA 114 HA ALA 114 11.108 -4.105 -8.223 3 HB1 ALA 114 HB1 ALA 114 12.092 -3.330 -10.273 4 HB2 ALA 114 HB2 ALA 114 12.330 -2.104 -9.028 5 HB3 ALA 114 HB3 ALA 114 11.083 -1.881 -10.259 No H/Q in entry = 5 In of MODEL 11 1 H ASP 115 H ASP 115 8.577 -1.813 -9.013 2 HA ASP 115 HA ASP 115 9.225 0.077 -6.975 3 HB2 ASP 115 HB2 ASP 115 8.010 0.524 -9.148 4 HB3 ASP 115 HB3 ASP 115 6.607 -0.263 -8.440 No H/Q in entry = 4 In of MODEL 11 1 H PHE 116 H PHE 116 6.523 -2.173 -7.408 2 HA PHE 116 HA PHE 116 5.812 -1.700 -4.617 3 HB2 PHE 116 HB2 PHE 116 4.244 -1.848 -6.965 4 HB3 PHE 116 HB3 PHE 116 3.837 -3.267 -6.001 5 HD1 PHE 116 HD1 PHE 116 3.879 0.397 -6.090 6 HD2 PHE 116 HD2 PHE 116 2.711 -3.084 -3.942 7 HE1 PHE 116 HE1 PHE 116 2.433 1.785 -4.666 8 HE2 PHE 116 HE2 PHE 116 1.244 -1.696 -2.505 9 HZ PHE 116 HZ PHE 116 1.141 0.751 -2.854 No H/Q in entry = 9 In of MODEL 11 1 H GLY 117 H GLY 117 7.058 -4.081 -6.710 2 HA2 GLY 117 HA2 GLY 117 7.781 -6.235 -6.270 3 HA3 GLY 117 HA3 GLY 117 6.124 -6.485 -5.767 No H/Q in entry = 3 In of MODEL 11 1 HA PRO 118 HA PRO 118 9.508 -6.854 -2.253 2 HB2 PRO 118 HB2 PRO 118 10.475 -4.365 -1.459 3 HB3 PRO 118 HB3 PRO 118 11.345 -5.541 -2.448 4 HG2 PRO 118 HG2 PRO 118 9.797 -3.132 -3.285 5 HG3 PRO 118 HG3 PRO 118 11.303 -3.786 -3.950 6 HD2 PRO 118 HD2 PRO 118 8.974 -4.130 -5.211 7 HD3 PRO 118 HD3 PRO 118 10.196 -5.419 -5.178 No H/Q in entry = 7 In of MODEL 11 1 H ALA 119 H ALA 119 7.863 -3.691 -2.209 2 HA ALA 119 HA ALA 119 7.288 -3.752 0.572 3 HB1 ALA 119 HB1 ALA 119 5.869 -1.825 0.122 4 HB2 ALA 119 HB2 ALA 119 5.975 -2.134 -1.611 5 HB3 ALA 119 HB3 ALA 119 7.417 -1.669 -0.707 No H/Q in entry = 5 In of MODEL 11 1 H CYS 120 H CYS 120 5.514 -4.655 -2.315 2 HA CYS 120 HA CYS 120 3.036 -5.307 -1.184 3 HB2 CYS 120 HB2 CYS 120 3.558 -5.154 -3.627 4 HB3 CYS 120 HB3 CYS 120 4.413 -6.685 -3.497 No H/Q in entry = 4 In of MODEL 11 1 H LYS 121 H LYS 121 6.101 -7.014 -1.206 2 HA LYS 121 HA LYS 121 5.121 -9.559 -0.509 3 HB2 LYS 121 HB2 LYS 121 7.690 -8.338 -0.813 4 HB3 LYS 121 HB3 LYS 121 7.664 -9.262 0.683 5 HG2 LYS 121 HG2 LYS 121 8.466 -10.624 -1.153 6 HG3 LYS 121 HG3 LYS 121 6.932 -11.244 -0.540 7 HD2 LYS 121 HD2 LYS 121 5.790 -10.021 -2.402 8 HD3 LYS 121 HD3 LYS 121 7.384 -9.629 -3.047 9 HE2 LYS 121 HE2 LYS 121 6.347 -12.423 -2.570 10 HE3 LYS 121 HE3 LYS 121 6.353 -11.600 -4.129 11 HZ1 LYS 121 HZ1 LYS 121 8.814 -12.089 -2.548 12 HZ2 LYS 121 HZ2 LYS 121 8.250 -13.152 -3.738 13 HZ3 LYS 121 HZ3 LYS 121 8.704 -11.575 -4.156 No H/Q in entry = 13 In of MODEL 11 1 H LYS 122 H LYS 122 6.166 -6.848 1.597 2 HA LYS 122 HA LYS 122 5.485 -8.303 3.975 3 HB2 LYS 122 HB2 LYS 122 5.683 -6.191 5.179 4 HB3 LYS 122 HB3 LYS 122 7.061 -6.438 4.128 5 HG2 LYS 122 HG2 LYS 122 6.066 -4.872 2.507 6 HG3 LYS 122 HG3 LYS 122 4.735 -4.592 3.631 7 HD2 LYS 122 HD2 LYS 122 7.645 -4.098 4.272 8 HD3 LYS 122 HD3 LYS 122 6.519 -2.854 3.730 9 HE2 LYS 122 HE2 LYS 122 5.150 -3.178 5.693 10 HE3 LYS 122 HE3 LYS 122 6.148 -4.534 6.211 11 HZ1 LYS 122 HZ1 LYS 122 7.178 -1.767 5.905 12 HZ2 LYS 122 HZ2 LYS 122 6.611 -2.395 7.373 13 HZ3 LYS 122 HZ3 LYS 122 7.964 -3.080 6.616 No H/Q in entry = 13 In of MODEL 11 1 H ILE 123 H ILE 123 3.770 -6.314 1.693 2 HA ILE 123 HA ILE 123 1.486 -5.779 3.238 3 HB ILE 123 HB ILE 123 1.854 -5.923 0.269 4 HG12 ILE 123 HG12 ILE 123 1.545 -3.635 2.222 5 HG13 ILE 123 HG13 ILE 123 3.053 -4.146 1.469 6 HG21 ILE 123 HG21 ILE 123 -0.565 -5.035 1.830 7 HG22 ILE 123 HG22 ILE 123 -0.319 -4.770 0.104 8 HG23 ILE 123 HG23 ILE 123 -0.467 -6.411 0.730 9 HD11 ILE 123 HD11 ILE 123 0.659 -3.155 -0.032 10 HD12 ILE 123 HD12 ILE 123 2.030 -2.155 0.440 11 HD13 ILE 123 HD13 ILE 123 2.259 -3.494 -0.683 No H/Q in entry = 11 In of MODEL 11 1 H TYR 124 H TYR 124 2.097 -8.234 0.838 2 HA TYR 124 HA TYR 124 -0.181 -9.858 1.487 3 HB2 TYR 124 HB2 TYR 124 2.103 -10.056 -0.430 4 HB3 TYR 124 HB3 TYR 124 1.177 -11.506 -0.048 5 HD1 TYR 124 HD1 TYR 124 0.555 -7.937 -0.999 6 HD2 TYR 124 HD2 TYR 124 -0.608 -12.008 -1.420 7 HE1 TYR 124 HE1 TYR 124 -1.162 -7.274 -2.628 8 HE2 TYR 124 HE2 TYR 124 -2.326 -11.354 -3.053 9 HH TYR 124 HH TYR 124 -2.436 -8.264 -4.465 No H/Q in entry = 9 In of MODEL 11 1 H GLY 125 H GLY 125 1.443 -9.355 3.691 2 HA2 GLY 125 HA2 GLY 125 2.811 -10.281 5.364 3 HA3 GLY 125 HA3 GLY 125 3.923 -9.839 4.105 No H/Q in entry = 3 In of MODEL 11 1 H VAL 126 H VAL 126 3.004 -12.183 2.483 2 HA VAL 126 HA VAL 126 3.762 -14.602 3.606 3 HB VAL 126 HB VAL 126 4.514 -15.221 1.293 4 HG11 VAL 126 HG11 VAL 126 1.845 -13.845 1.526 5 HG12 VAL 126 HG12 VAL 126 2.296 -14.990 0.264 6 HG13 VAL 126 HG13 VAL 126 2.206 -15.520 1.942 7 HG21 VAL 126 HG21 VAL 126 5.389 -13.027 0.630 8 HG22 VAL 126 HG22 VAL 126 4.179 -13.610 -0.513 9 HG23 VAL 126 HG23 VAL 126 3.752 -12.366 0.664 No H/Q in entry = 9 In of MODEL 11 1 H HIS 127 H HIS 127 5.675 -11.847 3.246 2 HA HIS 127 HA HIS 127 8.182 -13.344 3.072 3 HB2 HIS 127 HB2 HIS 127 7.917 -11.404 1.596 4 HB3 HIS 127 HB3 HIS 127 7.631 -10.366 2.986 5 HD1 HIS 127 HD1 HIS 127 10.425 -12.496 1.515 6 HD2 HIS 127 HD2 HIS 127 9.861 -9.208 3.992 7 HE1 HIS 127 HE1 HIS 127 12.723 -11.587 1.967 8 HE2 HIS 127 HE2 HIS 127 12.364 -9.687 3.578 No H/Q in entry = 8 In of MODEL 11 1 H THR 128 H THR 128 6.086 -12.242 5.419 2 HA THR 128 HA THR 128 8.238 -12.186 7.417 3 HB THR 128 HB THR 128 5.943 -10.214 7.392 4 HG1 THR 128 HG1 THR 128 7.487 -8.697 6.775 5 HG21 THR 128 HG21 THR 128 8.391 -10.414 9.156 6 HG22 THR 128 HG22 THR 128 7.182 -9.132 9.213 7 HG23 THR 128 HG23 THR 128 6.734 -10.783 9.639 No H/Q in entry = 7 In of MODEL 11 1 H SER 129 H SER 129 7.776 -14.083 8.375 2 HA SER 129 HA SER 129 6.796 -15.535 9.804 3 HB2 SER 129 HB2 SER 129 4.816 -13.315 10.353 4 HB3 SER 129 HB3 SER 129 5.131 -14.718 11.375 5 HG SER 129 HG SER 129 7.455 -13.557 10.942 No H/Q in entry = 5 In of MODEL 12 1 HA2 GLY -4 HA2 GLY -4 -5.486 10.248 -25.109 2 HA3 GLY -4 HA3 GLY -4 -6.487 9.097 -24.234 3 H1 GLY -4 H1 GLY -4 -7.388 10.838 -26.455 4 H2 GLY -4 H2 GLY -4 -8.367 9.757 -25.599 No H/Q in entry = 4 In of MODEL 12 1 H SER -3 H SER -3 -6.340 10.032 -22.237 2 HA SER -3 HA SER -3 -7.030 12.830 -21.895 3 HB2 SER -3 HB2 SER -3 -9.229 11.764 -21.936 4 HB3 SER -3 HB3 SER -3 -8.709 10.597 -20.722 5 HG SER -3 HG SER -3 -9.903 12.307 -19.796 No H/Q in entry = 5 In of MODEL 12 1 HA PRO -2 HA PRO -2 -4.018 11.953 -18.691 2 HB2 PRO -2 HB2 PRO -2 -3.540 14.491 -17.979 3 HB3 PRO -2 HB3 PRO -2 -2.941 13.827 -19.505 4 HG2 PRO -2 HG2 PRO -2 -5.343 15.534 -18.997 5 HG3 PRO -2 HG3 PRO -2 -4.136 15.663 -20.289 6 HD2 PRO -2 HD2 PRO -2 -6.578 14.492 -20.623 7 HD3 PRO -2 HD3 PRO -2 -5.139 14.031 -21.552 No H/Q in entry = 7 In of MODEL 12 1 H GLU -1 H GLU -1 -7.169 12.953 -18.397 2 HA GLU -1 HA GLU -1 -7.080 13.468 -15.541 3 HB2 GLU -1 HB2 GLU -1 -9.400 13.258 -17.466 4 HB3 GLU -1 HB3 GLU -1 -9.565 13.618 -15.753 5 HG2 GLU -1 HG2 GLU -1 -8.195 15.285 -17.845 6 HG3 GLU -1 HG3 GLU -1 -9.679 15.664 -16.972 No H/Q in entry = 6 In of MODEL 12 1 H PHE 0 H PHE 0 -7.349 10.829 -17.657 2 HA PHE 0 HA PHE 0 -8.769 9.053 -15.938 3 HB2 PHE 0 HB2 PHE 0 -8.511 8.710 -18.406 4 HB3 PHE 0 HB3 PHE 0 -6.805 8.372 -18.139 5 HD1 PHE 0 HD1 PHE 0 -10.230 7.168 -17.468 6 HD2 PHE 0 HD2 PHE 0 -6.078 6.248 -17.419 7 HE1 PHE 0 HE1 PHE 0 -10.764 4.797 -17.086 8 HE2 PHE 0 HE2 PHE 0 -6.603 3.875 -17.035 9 HZ PHE 0 HZ PHE 0 -8.959 3.148 -16.879 No H/Q in entry = 9 In of MODEL 12 1 H HIS 1 H HIS 1 -7.993 8.768 -13.964 2 HA HIS 1 HA HIS 1 -5.145 8.857 -13.465 3 HB2 HIS 1 HB2 HIS 1 -5.795 8.730 -11.062 4 HB3 HIS 1 HB3 HIS 1 -6.522 10.083 -11.918 5 HD1 HIS 1 HD1 HIS 1 -7.340 7.419 -9.652 6 HD2 HIS 1 HD2 HIS 1 -9.346 9.462 -12.668 7 HE1 HIS 1 HE1 HIS 1 -9.783 6.981 -9.261 8 HE2 HIS 1 HE2 HIS 1 -10.968 8.116 -11.173 No H/Q in entry = 8 In of MODEL 12 1 H HIS 2 H HIS 2 -3.929 7.162 -13.581 2 HA HIS 2 HA HIS 2 -5.036 4.496 -13.614 3 HB2 HIS 2 HB2 HIS 2 -2.226 5.563 -13.921 4 HB3 HIS 2 HB3 HIS 2 -2.589 3.843 -13.902 5 HD1 HIS 2 HD1 HIS 2 -2.576 2.954 -16.188 6 HD2 HIS 2 HD2 HIS 2 -4.098 6.817 -16.063 7 HE1 HIS 2 HE1 HIS 2 -3.167 3.524 -18.564 8 HE2 HIS 2 HE2 HIS 2 -3.851 5.943 -18.488 No H/Q in entry = 8 In of MODEL 12 1 H PHE 3 H PHE 3 -2.355 5.976 -11.789 2 HA PHE 3 HA PHE 3 -3.265 4.623 -9.373 3 HB2 PHE 3 HB2 PHE 3 -0.484 4.258 -10.517 4 HB3 PHE 3 HB3 PHE 3 -0.987 3.743 -8.910 5 HD1 PHE 3 HD1 PHE 3 -2.972 2.092 -8.798 6 HD2 PHE 3 HD2 PHE 3 -0.676 2.815 -12.307 7 HE1 PHE 3 HE1 PHE 3 -3.705 -0.067 -9.717 8 HE2 PHE 3 HE2 PHE 3 -1.408 0.656 -13.233 9 HZ PHE 3 HZ PHE 3 -2.966 -0.764 -11.952 No H/Q in entry = 9 In of MODEL 12 1 H THR 4 H THR 4 -3.649 6.504 -8.332 2 HA THR 4 HA THR 4 -1.288 8.112 -7.662 3 HB THR 4 HB THR 4 -2.781 10.129 -7.531 4 HG1 THR 4 HG1 THR 4 -4.728 9.939 -8.887 5 HG21 THR 4 HG21 THR 4 -2.500 8.880 -10.265 6 HG22 THR 4 HG22 THR 4 -2.778 10.593 -9.940 7 HG23 THR 4 HG23 THR 4 -1.273 9.830 -9.427 No H/Q in entry = 7 In of MODEL 12 1 H LEU 5 H LEU 5 -1.462 9.131 -5.552 2 HA LEU 5 HA LEU 5 -2.661 7.369 -3.674 3 HB2 LEU 5 HB2 LEU 5 -1.118 9.925 -3.429 4 HB3 LEU 5 HB3 LEU 5 -1.878 9.201 -2.025 5 HG LEU 5 HG LEU 5 -0.564 7.105 -2.511 6 HD11 LEU 5 HD11 LEU 5 0.892 8.933 -4.413 7 HD12 LEU 5 HD12 LEU 5 1.445 7.339 -3.896 8 HD13 LEU 5 HD13 LEU 5 -0.037 7.496 -4.842 9 HD21 LEU 5 HD21 LEU 5 0.020 8.867 -0.826 10 HD22 LEU 5 HD22 LEU 5 1.369 7.886 -1.398 11 HD23 LEU 5 HD23 LEU 5 1.145 9.523 -2.013 No H/Q in entry = 11 In of MODEL 12 1 H GLU 6 H GLU 6 -3.594 10.471 -5.029 2 HA GLU 6 HA GLU 6 -5.874 10.974 -3.472 3 HB2 GLU 6 HB2 GLU 6 -5.705 11.148 -6.498 4 HB3 GLU 6 HB3 GLU 6 -6.829 12.016 -5.464 5 HG2 GLU 6 HG2 GLU 6 -5.035 13.330 -4.541 6 HG3 GLU 6 HG3 GLU 6 -3.845 12.390 -5.439 No H/Q in entry = 6 In of MODEL 12 1 H SER 7 H SER 7 -5.475 8.727 -6.263 2 HA SER 7 HA SER 7 -8.053 7.847 -6.490 3 HB2 SER 7 HB2 SER 7 -5.539 6.197 -6.790 4 HB3 SER 7 HB3 SER 7 -7.128 5.738 -7.397 5 HG SER 7 HG SER 7 -5.680 8.076 -8.146 No H/Q in entry = 5 In of MODEL 12 1 H SER 8 H SER 8 -5.917 7.118 -3.826 2 HA SER 8 HA SER 8 -7.538 4.799 -3.141 3 HB2 SER 8 HB2 SER 8 -5.763 4.311 -1.455 4 HB3 SER 8 HB3 SER 8 -5.235 4.292 -3.142 5 HG SER 8 HG SER 8 -4.978 6.773 -2.077 No H/Q in entry = 5 In of MODEL 12 1 H LEU 9 H LEU 9 -7.231 8.074 -2.114 2 HA LEU 9 HA LEU 9 -7.022 7.825 0.600 3 HB2 LEU 9 HB2 LEU 9 -8.348 9.993 -0.978 4 HB3 LEU 9 HB3 LEU 9 -7.850 10.125 0.701 5 HG LEU 9 HG LEU 9 -5.942 9.467 -1.528 6 HD11 LEU 9 HD11 LEU 9 -6.987 11.608 -1.930 7 HD12 LEU 9 HD12 LEU 9 -6.542 12.143 -0.308 8 HD13 LEU 9 HD13 LEU 9 -5.289 11.789 -1.498 9 HD21 LEU 9 HD21 LEU 9 -5.529 10.418 1.305 10 HD22 LEU 9 HD22 LEU 9 -5.191 8.801 0.682 11 HD23 LEU 9 HD23 LEU 9 -4.252 10.184 0.112 No H/Q in entry = 11 In of MODEL 12 1 H ASP 10 H ASP 10 -9.977 7.752 -1.205 2 HA ASP 10 HA ASP 10 -11.496 7.502 1.284 3 HB2 ASP 10 HB2 ASP 10 -12.408 7.876 -1.573 4 HB3 ASP 10 HB3 ASP 10 -13.494 7.716 -0.196 No H/Q in entry = 4 In of MODEL 12 1 H THR 11 H THR 11 -9.870 5.431 -0.612 2 HA THR 11 HA THR 11 -11.764 3.294 0.067 3 HB THR 11 HB THR 11 -10.920 2.050 -1.978 4 HG1 THR 11 HG1 THR 11 -10.236 4.613 -2.983 5 HG21 THR 11 HG21 THR 11 -12.504 4.586 -2.406 6 HG22 THR 11 HG22 THR 11 -12.441 3.225 -3.524 7 HG23 THR 11 HG23 THR 11 -13.150 3.017 -1.923 No H/Q in entry = 7 In of MODEL 12 1 H HIS 12 H HIS 12 -8.698 2.819 -1.557 2 HA HIS 12 HA HIS 12 -7.912 0.849 0.236 3 HB2 HIS 12 HB2 HIS 12 -6.090 2.386 -1.607 4 HB3 HIS 12 HB3 HIS 12 -5.775 0.797 -0.915 5 HD1 HIS 12 HD1 HIS 12 -7.702 -1.064 -1.658 6 HD2 HIS 12 HD2 HIS 12 -7.200 2.283 -4.068 7 HE1 HIS 12 HE1 HIS 12 -8.725 -1.667 -3.876 8 HE2 HIS 12 HE2 HIS 12 -8.586 0.446 -5.242 No H/Q in entry = 8 In of MODEL 12 1 H LEU 13 H LEU 13 -7.115 4.294 0.230 2 HA LEU 13 HA LEU 13 -5.327 3.763 2.512 3 HB2 LEU 13 HB2 LEU 13 -5.189 5.688 0.278 4 HB3 LEU 13 HB3 LEU 13 -4.633 6.247 1.845 5 HG LEU 13 HG LEU 13 -2.740 5.422 0.614 6 HD11 LEU 13 HD11 LEU 13 -2.886 4.927 3.049 7 HD12 LEU 13 HD12 LEU 13 -3.463 3.315 2.636 8 HD13 LEU 13 HD13 LEU 13 -1.851 3.828 2.145 9 HD21 LEU 13 HD21 LEU 13 -4.289 2.856 0.295 10 HD22 LEU 13 HD22 LEU 13 -3.820 3.978 -0.982 11 HD23 LEU 13 HD23 LEU 13 -2.586 3.070 -0.114 No H/Q in entry = 11 In of MODEL 12 1 H LYS 14 H LYS 14 -8.212 4.082 2.556 2 HA LYS 14 HA LYS 14 -8.929 6.651 3.520 3 HB2 LYS 14 HB2 LYS 14 -11.048 5.625 4.154 4 HB3 LYS 14 HB3 LYS 14 -10.577 5.152 2.533 5 HG2 LYS 14 HG2 LYS 14 -9.931 2.983 3.276 6 HG3 LYS 14 HG3 LYS 14 -10.114 3.448 4.967 7 HD2 LYS 14 HD2 LYS 14 -11.997 2.084 4.139 8 HD3 LYS 14 HD3 LYS 14 -12.506 3.679 4.682 9 HE2 LYS 14 HE2 LYS 14 -12.439 4.406 2.291 10 HE3 LYS 14 HE3 LYS 14 -12.142 2.724 1.857 11 HZ1 LYS 14 HZ1 LYS 14 -14.524 3.721 3.322 12 HZ2 LYS 14 HZ2 LYS 14 -14.484 3.317 1.681 13 HZ3 LYS 14 HZ3 LYS 14 -14.248 2.121 2.851 No H/Q in entry = 13 In of MODEL 12 1 H TRP 15 H TRP 15 -7.411 3.987 5.015 2 HA TRP 15 HA TRP 15 -8.353 4.457 7.680 3 HB2 TRP 15 HB2 TRP 15 -6.616 2.817 8.332 4 HB3 TRP 15 HB3 TRP 15 -7.645 2.221 7.032 5 HD1 TRP 15 HD1 TRP 15 -6.550 2.021 4.599 6 HE1 TRP 15 HE1 TRP 15 -4.097 1.810 3.835 7 HE3 TRP 15 HE3 TRP 15 -4.237 3.542 8.894 8 HZ2 TRP 15 HZ2 TRP 15 -1.523 2.232 4.924 9 HZ3 TRP 15 HZ3 TRP 15 -1.778 3.610 8.952 10 HH2 TRP 15 HH2 TRP 15 -0.451 2.967 7.007 No H/Q in entry = 10 In of MODEL 12 1 H LEU 16 H LEU 16 -6.194 6.065 5.700 2 HA LEU 16 HA LEU 16 -4.365 6.956 7.735 3 HB2 LEU 16 HB2 LEU 16 -5.031 8.162 5.042 4 HB3 LEU 16 HB3 LEU 16 -3.701 8.648 6.068 5 HG LEU 16 HG LEU 16 -3.962 5.925 4.793 6 HD11 LEU 16 HD11 LEU 16 -2.344 8.337 3.987 7 HD12 LEU 16 HD12 LEU 16 -2.176 6.726 3.290 8 HD13 LEU 16 HD13 LEU 16 -3.683 7.620 3.094 9 HD21 LEU 16 HD21 LEU 16 -1.691 7.262 6.265 10 HD22 LEU 16 HD22 LEU 16 -2.609 5.852 6.797 11 HD23 LEU 16 HD23 LEU 16 -1.565 5.742 5.377 No H/Q in entry = 11 In of MODEL 12 1 H SER 17 H SER 17 -4.362 9.001 8.687 2 HA SER 17 HA SER 17 -6.984 10.184 9.033 3 HB2 SER 17 HB2 SER 17 -5.769 11.700 10.634 4 HB3 SER 17 HB3 SER 17 -5.627 9.988 11.015 5 HG SER 17 HG SER 17 -3.570 10.321 10.964 No H/Q in entry = 5 In of MODEL 12 1 H GLN 18 H GLN 18 -7.204 12.643 8.829 2 HA GLN 18 HA GLN 18 -6.656 13.408 6.196 3 HB2 GLN 18 HB2 GLN 18 -7.290 15.106 8.619 4 HB3 GLN 18 HB3 GLN 18 -7.181 15.755 6.993 5 HG2 GLN 18 HG2 GLN 18 -9.107 13.622 7.881 6 HG3 GLN 18 HG3 GLN 18 -9.491 15.334 7.699 7 HE21 GLN 18 HE21 GLN 18 -8.836 12.354 6.067 8 HE22 GLN 18 HE22 GLN 18 -9.295 12.883 4.485 No H/Q in entry = 8 In of MODEL 12 1 H GLU 19 H GLU 19 -4.974 14.204 9.203 2 HA GLU 19 HA GLU 19 -3.035 15.880 8.153 3 HB2 GLU 19 HB2 GLU 19 -2.859 13.956 10.478 4 HB3 GLU 19 HB3 GLU 19 -1.815 15.325 10.197 5 HG2 GLU 19 HG2 GLU 19 -3.659 16.857 10.471 6 HG3 GLU 19 HG3 GLU 19 -4.766 15.502 10.670 No H/Q in entry = 6 In of MODEL 12 1 H GLN 20 H GLN 20 -3.065 12.314 8.430 2 HA GLN 20 HA GLN 20 -0.398 12.004 7.479 3 HB2 GLN 20 HB2 GLN 20 -2.726 10.084 7.614 4 HB3 GLN 20 HB3 GLN 20 -1.136 9.619 7.026 5 HG2 GLN 20 HG2 GLN 20 -0.150 10.125 9.170 6 HG3 GLN 20 HG3 GLN 20 -1.698 10.721 9.769 7 HE21 GLN 20 HE21 GLN 20 0.002 8.554 10.763 8 HE22 GLN 20 HE22 GLN 20 -0.987 7.136 10.759 No H/Q in entry = 8 In of MODEL 12 1 H LYS 21 H LYS 21 -3.592 11.869 5.944 2 HA LYS 21 HA LYS 21 -2.737 11.185 3.359 3 HB2 LYS 21 HB2 LYS 21 -5.101 12.850 4.252 4 HB3 LYS 21 HB3 LYS 21 -4.864 12.286 2.603 5 HG2 LYS 21 HG2 LYS 21 -5.014 9.986 3.322 6 HG3 LYS 21 HG3 LYS 21 -5.124 10.494 5.008 7 HD2 LYS 21 HD2 LYS 21 -7.241 11.571 4.596 8 HD3 LYS 21 HD3 LYS 21 -7.113 11.239 2.867 9 HE2 LYS 21 HE2 LYS 21 -7.261 8.864 3.270 10 HE3 LYS 21 HE3 LYS 21 -7.244 9.124 5.014 11 HZ1 LYS 21 HZ1 LYS 21 -9.357 10.173 3.216 12 HZ2 LYS 21 HZ2 LYS 21 -9.483 8.717 4.061 13 HZ3 LYS 21 HZ3 LYS 21 -9.362 10.174 4.906 No H/Q in entry = 13 In of MODEL 12 1 H ASP 22 H ASP 22 -3.326 14.352 4.813 2 HA ASP 22 HA ASP 22 -2.592 15.919 2.608 3 HB2 ASP 22 HB2 ASP 22 -3.839 16.769 4.557 4 HB3 ASP 22 HB3 ASP 22 -2.414 16.559 5.562 No H/Q in entry = 4 In of MODEL 12 1 H GLU 23 H GLU 23 -0.578 14.370 5.100 2 HA GLU 23 HA GLU 23 1.848 15.631 4.464 3 HB2 GLU 23 HB2 GLU 23 1.099 12.916 5.493 4 HB3 GLU 23 HB3 GLU 23 2.757 13.353 5.170 5 HG2 GLU 23 HG2 GLU 23 0.903 14.696 7.078 6 HG3 GLU 23 HG3 GLU 23 2.269 13.662 7.492 No H/Q in entry = 6 In of MODEL 12 1 H LEU 24 H LEU 24 0.359 12.669 3.156 2 HA LEU 24 HA LEU 24 2.390 12.109 1.316 3 HB2 LEU 24 HB2 LEU 24 -0.488 11.323 1.609 4 HB3 LEU 24 HB3 LEU 24 0.444 10.798 0.222 5 HG LEU 24 HG LEU 24 1.961 9.579 1.631 6 HD11 LEU 24 HD11 LEU 24 1.821 11.241 3.534 7 HD12 LEU 24 HD12 LEU 24 0.447 10.275 4.081 8 HD13 LEU 24 HD13 LEU 24 2.043 9.534 3.903 9 HD21 LEU 24 HD21 LEU 24 -0.904 9.091 2.358 10 HD22 LEU 24 HD22 LEU 24 -0.017 8.386 1.010 11 HD23 LEU 24 HD23 LEU 24 0.411 7.958 2.663 No H/Q in entry = 11 In of MODEL 12 1 H LEU 25 H LEU 25 -0.808 13.733 0.812 2 HA LEU 25 HA LEU 25 -0.472 14.425 -1.840 3 HB2 LEU 25 HB2 LEU 25 -1.851 15.761 0.461 4 HB3 LEU 25 HB3 LEU 25 -1.891 16.451 -1.148 5 HG LEU 25 HG LEU 25 -3.889 15.168 -0.617 6 HD11 LEU 25 HD11 LEU 25 -2.194 13.959 -2.785 7 HD12 LEU 25 HD12 LEU 25 -3.949 13.815 -2.663 8 HD13 LEU 25 HD13 LEU 25 -3.210 15.396 -2.932 9 HD21 LEU 25 HD21 LEU 25 -2.931 13.502 0.851 10 HD22 LEU 25 HD22 LEU 25 -3.866 12.762 -0.453 11 HD23 LEU 25 HD23 LEU 25 -2.104 12.769 -0.528 No H/Q in entry = 11 In of MODEL 12 1 H LYS 26 H LYS 26 0.684 16.043 1.063 2 HA LYS 26 HA LYS 26 1.668 18.402 -0.065 3 HB2 LYS 26 HB2 LYS 26 1.369 17.750 2.379 4 HB3 LYS 26 HB3 LYS 26 2.889 16.888 2.238 5 HG2 LYS 26 HG2 LYS 26 3.995 19.011 1.652 6 HG3 LYS 26 HG3 LYS 26 2.462 19.846 1.908 7 HD2 LYS 26 HD2 LYS 26 4.129 18.364 3.931 8 HD3 LYS 26 HD3 LYS 26 3.704 20.075 3.922 9 HE2 LYS 26 HE2 LYS 26 1.806 17.764 4.332 10 HE3 LYS 26 HE3 LYS 26 2.388 18.863 5.574 11 HZ1 LYS 26 HZ1 LYS 26 0.833 19.761 3.220 12 HZ2 LYS 26 HZ2 LYS 26 0.118 19.352 4.701 13 HZ3 LYS 26 HZ3 LYS 26 1.209 20.649 4.608 No H/Q in entry = 13 In of MODEL 12 1 H MET 27 H MET 27 3.302 15.360 0.686 2 HA MET 27 HA MET 27 5.757 16.008 -0.468 3 HB2 MET 27 HB2 MET 27 4.492 13.309 -0.042 4 HB3 MET 27 HB3 MET 27 6.179 13.573 -0.458 5 HG2 MET 27 HG2 MET 27 6.088 15.125 1.677 6 HG3 MET 27 HG3 MET 27 4.753 14.055 2.096 7 HE1 MET 27 HE1 MET 27 5.069 11.321 1.957 8 HE2 MET 27 HE2 MET 27 5.987 11.419 0.452 9 HE3 MET 27 HE3 MET 27 6.653 10.550 1.834 No H/Q in entry = 9 In of MODEL 12 1 H LYS 28 H LYS 28 2.992 14.233 -1.966 2 HA LYS 28 HA LYS 28 4.309 13.596 -4.350 3 HB2 LYS 28 HB2 LYS 28 2.066 12.756 -3.458 4 HB3 LYS 28 HB3 LYS 28 1.370 14.236 -4.095 5 HG2 LYS 28 HG2 LYS 28 2.914 12.330 -5.826 6 HG3 LYS 28 HG3 LYS 28 1.187 12.142 -5.525 7 HD2 LYS 28 HD2 LYS 28 0.774 14.354 -6.458 8 HD3 LYS 28 HD3 LYS 28 2.504 14.585 -6.713 9 HE2 LYS 28 HE2 LYS 28 2.527 12.692 -8.261 10 HE3 LYS 28 HE3 LYS 28 0.799 12.459 -8.001 11 HZ1 LYS 28 HZ1 LYS 28 0.402 14.658 -8.922 12 HZ2 LYS 28 HZ2 LYS 28 2.062 14.880 -9.170 13 HZ3 LYS 28 HZ3 LYS 28 1.227 13.684 -10.031 No H/Q in entry = 13 In of MODEL 12 1 H LYS 29 H LYS 29 2.399 16.456 -3.460 2 HA LYS 29 HA LYS 29 2.667 17.689 -6.000 3 HB2 LYS 29 HB2 LYS 29 2.011 18.965 -3.343 4 HB3 LYS 29 HB3 LYS 29 1.800 19.718 -4.916 5 HG2 LYS 29 HG2 LYS 29 0.257 17.777 -5.470 6 HG3 LYS 29 HG3 LYS 29 0.303 17.392 -3.750 7 HD2 LYS 29 HD2 LYS 29 -0.650 19.967 -5.002 8 HD3 LYS 29 HD3 LYS 29 -1.650 18.733 -4.242 9 HE2 LYS 29 HE2 LYS 29 0.466 20.360 -2.839 10 HE3 LYS 29 HE3 LYS 29 -1.260 20.698 -2.795 11 HZ1 LYS 29 HZ1 LYS 29 -0.012 18.185 -1.826 12 HZ2 LYS 29 HZ2 LYS 29 -0.465 19.481 -0.835 13 HZ3 LYS 29 HZ3 LYS 29 -1.643 18.619 -1.691 No H/Q in entry = 13 In of MODEL 12 1 H ASP 30 H ASP 30 4.681 17.667 -3.168 2 HA ASP 30 HA ASP 30 6.193 19.968 -4.036 3 HB2 ASP 30 HB2 ASP 30 5.827 19.515 -1.622 4 HB3 ASP 30 HB3 ASP 30 6.738 18.019 -1.774 No H/Q in entry = 4 In of MODEL 12 1 H GLY 31 H GLY 31 6.077 16.822 -4.928 2 HA2 GLY 31 HA2 GLY 31 8.547 17.198 -6.419 3 HA3 GLY 31 HA3 GLY 31 7.269 16.053 -6.792 No H/Q in entry = 3 In of MODEL 12 1 H LYS 32 H LYS 32 7.336 15.268 -3.848 2 HA LYS 32 HA LYS 32 9.806 13.892 -3.551 3 HB2 LYS 32 HB2 LYS 32 7.129 13.312 -2.265 4 HB3 LYS 32 HB3 LYS 32 8.678 12.661 -1.751 5 HG2 LYS 32 HG2 LYS 32 7.818 15.545 -1.659 6 HG3 LYS 32 HG3 LYS 32 8.025 14.457 -0.289 7 HD2 LYS 32 HD2 LYS 32 10.420 14.282 -0.812 8 HD3 LYS 32 HD3 LYS 32 10.196 15.404 -2.157 9 HE2 LYS 32 HE2 LYS 32 9.375 17.096 -0.540 10 HE3 LYS 32 HE3 LYS 32 9.753 15.979 0.769 11 HZ1 LYS 32 HZ1 LYS 32 12.072 16.024 0.082 12 HZ2 LYS 32 HZ2 LYS 32 11.702 17.111 -1.160 13 HZ3 LYS 32 HZ3 LYS 32 11.519 17.582 0.450 No H/Q in entry = 13 In of MODEL 12 1 H ALA 33 H ALA 33 10.146 11.680 -3.802 2 HA ALA 33 HA ALA 33 9.023 10.659 -6.233 3 HB1 ALA 33 HB1 ALA 33 11.377 10.290 -5.674 4 HB2 ALA 33 HB2 ALA 33 10.526 8.769 -5.945 5 HB3 ALA 33 HB3 ALA 33 10.892 9.294 -4.300 No H/Q in entry = 5 In of MODEL 12 1 H LYS 34 H LYS 34 8.050 8.513 -6.451 2 HA LYS 34 HA LYS 34 5.822 8.176 -4.770 3 HB2 LYS 34 HB2 LYS 34 7.085 6.240 -6.716 4 HB3 LYS 34 HB3 LYS 34 5.544 5.969 -5.919 5 HG2 LYS 34 HG2 LYS 34 5.043 6.760 -8.079 6 HG3 LYS 34 HG3 LYS 34 4.744 8.109 -6.985 7 HD2 LYS 34 HD2 LYS 34 6.905 9.080 -7.580 8 HD3 LYS 34 HD3 LYS 34 7.234 7.713 -8.647 9 HE2 LYS 34 HE2 LYS 34 5.296 8.318 -10.009 10 HE3 LYS 34 HE3 LYS 34 4.974 9.685 -8.945 11 HZ1 LYS 34 HZ1 LYS 34 7.430 9.308 -10.567 12 HZ2 LYS 34 HZ2 LYS 34 6.161 10.360 -10.940 13 HZ3 LYS 34 HZ3 LYS 34 7.108 10.627 -9.564 No H/Q in entry = 13 In of MODEL 12 1 H LYS 35 H LYS 35 9.006 6.718 -4.823 2 HA LYS 35 HA LYS 35 8.569 4.704 -2.919 3 HB2 LYS 35 HB2 LYS 35 11.093 6.228 -3.562 4 HB3 LYS 35 HB3 LYS 35 11.026 4.752 -2.611 5 HG2 LYS 35 HG2 LYS 35 10.232 5.041 -5.498 6 HG3 LYS 35 HG3 LYS 35 11.706 4.289 -4.892 7 HD2 LYS 35 HD2 LYS 35 8.894 3.338 -4.349 8 HD3 LYS 35 HD3 LYS 35 10.012 2.627 -5.509 9 HE2 LYS 35 HE2 LYS 35 10.455 2.813 -2.534 10 HE3 LYS 35 HE3 LYS 35 9.933 1.372 -3.400 11 HZ1 LYS 35 HZ1 LYS 35 12.018 1.422 -4.640 12 HZ2 LYS 35 HZ2 LYS 35 12.521 2.779 -3.766 13 HZ3 LYS 35 HZ3 LYS 35 12.291 1.305 -2.974 No H/Q in entry = 13 In of MODEL 12 1 H GLU 36 H GLU 36 8.700 8.119 -2.492 2 HA GLU 36 HA GLU 36 9.518 7.924 0.292 3 HB2 GLU 36 HB2 GLU 36 8.665 10.363 -1.269 4 HB3 GLU 36 HB3 GLU 36 9.477 10.339 0.292 5 HG2 GLU 36 HG2 GLU 36 11.402 9.218 -0.807 6 HG3 GLU 36 HG3 GLU 36 10.594 9.457 -2.344 No H/Q in entry = 6 In of MODEL 12 1 H LEU 37 H LEU 37 6.794 8.371 -1.721 2 HA LEU 37 HA LEU 37 4.869 8.820 0.342 3 HB2 LEU 37 HB2 LEU 37 4.510 7.735 -2.454 4 HB3 LEU 37 HB3 LEU 37 3.233 8.338 -1.418 5 HG LEU 37 HG LEU 37 5.533 10.066 -2.309 6 HD11 LEU 37 HD11 LEU 37 4.371 9.256 -4.280 7 HD12 LEU 37 HD12 LEU 37 2.828 9.755 -3.595 8 HD13 LEU 37 HD13 LEU 37 4.040 10.965 -4.014 9 HD21 LEU 37 HD21 LEU 37 4.269 10.797 -0.333 10 HD22 LEU 37 HD22 LEU 37 4.042 11.882 -1.707 11 HD23 LEU 37 HD23 LEU 37 2.780 10.730 -1.275 No H/Q in entry = 11 In of MODEL 12 1 H GLU 38 H GLU 38 6.004 6.014 -1.453 2 HA GLU 38 HA GLU 38 4.462 4.021 -0.228 3 HB2 GLU 38 HB2 GLU 38 5.698 3.502 -2.204 4 HB3 GLU 38 HB3 GLU 38 7.209 4.021 -1.483 5 HG2 GLU 38 HG2 GLU 38 5.966 1.850 -0.009 6 HG3 GLU 38 HG3 GLU 38 6.294 1.434 -1.690 No H/Q in entry = 6 In of MODEL 12 1 H ALA 39 H ALA 39 6.932 5.989 0.979 2 HA ALA 39 HA ALA 39 7.822 4.119 3.001 3 HB1 ALA 39 HB1 ALA 39 8.701 6.950 2.496 4 HB2 ALA 39 HB2 ALA 39 9.478 5.782 3.566 5 HB3 ALA 39 HB3 ALA 39 9.453 5.505 1.823 No H/Q in entry = 5 In of MODEL 12 1 H LYS 40 H LYS 40 6.122 7.239 2.897 2 HA LYS 40 HA LYS 40 5.789 7.548 5.650 3 HB2 LYS 40 HB2 LYS 40 4.350 8.511 3.223 4 HB3 LYS 40 HB3 LYS 40 3.573 8.700 4.783 5 HG2 LYS 40 HG2 LYS 40 6.309 9.735 4.116 6 HG3 LYS 40 HG3 LYS 40 4.833 10.693 4.052 7 HD2 LYS 40 HD2 LYS 40 4.473 10.136 6.466 8 HD3 LYS 40 HD3 LYS 40 6.072 9.397 6.473 9 HE2 LYS 40 HE2 LYS 40 7.098 11.504 5.912 10 HE3 LYS 40 HE3 LYS 40 5.517 12.265 5.733 11 HZ1 LYS 40 HZ1 LYS 40 5.116 11.842 8.095 12 HZ2 LYS 40 HZ2 LYS 40 6.666 11.183 8.251 13 HZ3 LYS 40 HZ3 LYS 40 6.476 12.817 7.860 No H/Q in entry = 13 In of MODEL 12 1 H ILE 41 H ILE 41 3.654 6.040 3.226 2 HA ILE 41 HA ILE 41 1.623 5.254 4.938 3 HB ILE 41 HB ILE 41 2.599 3.941 2.405 4 HG12 ILE 41 HG12 ILE 41 0.324 5.867 2.910 5 HG13 ILE 41 HG13 ILE 41 1.887 6.312 2.233 6 HG21 ILE 41 HG21 ILE 41 1.273 2.379 3.717 7 HG22 ILE 41 HG22 ILE 41 -0.010 3.579 3.871 8 HG23 ILE 41 HG23 ILE 41 0.385 2.908 2.288 9 HD11 ILE 41 HD11 ILE 41 -0.082 4.414 1.000 10 HD12 ILE 41 HD12 ILE 41 0.195 6.088 0.517 11 HD13 ILE 41 HD13 ILE 41 1.475 4.889 0.319 No H/Q in entry = 11 In of MODEL 12 1 H LEU 42 H LEU 42 4.549 3.475 3.966 2 HA LEU 42 HA LEU 42 3.920 1.123 5.391 3 HB2 LEU 42 HB2 LEU 42 6.553 2.245 4.472 4 HB3 LEU 42 HB3 LEU 42 6.400 0.686 5.250 5 HG LEU 42 HG LEU 42 5.324 1.520 2.568 6 HD11 LEU 42 HD11 LEU 42 7.665 0.880 2.649 7 HD12 LEU 42 HD12 LEU 42 7.234 -0.640 3.433 8 HD13 LEU 42 HD13 LEU 42 6.713 -0.319 1.777 9 HD21 LEU 42 HD21 LEU 42 4.643 -0.873 4.247 10 HD22 LEU 42 HD22 LEU 42 3.559 0.224 3.397 11 HD23 LEU 42 HD23 LEU 42 4.549 -0.920 2.483 No H/Q in entry = 11 In of MODEL 12 1 H HIS 43 H HIS 43 5.615 4.060 6.298 2 HA HIS 43 HA HIS 43 6.453 3.206 8.868 3 HB2 HIS 43 HB2 HIS 43 7.219 5.283 7.603 4 HB3 HIS 43 HB3 HIS 43 5.711 6.035 8.110 5 HD1 HIS 43 HD1 HIS 43 5.875 7.323 10.232 6 HD2 HIS 43 HD2 HIS 43 8.764 4.343 9.982 7 HE1 HIS 43 HE1 HIS 43 7.311 7.600 12.273 8 HE2 HIS 43 HE2 HIS 43 8.976 5.711 12.165 No H/Q in entry = 8 In of MODEL 12 1 H TYR 44 H TYR 44 3.566 4.997 7.765 2 HA TYR 44 HA TYR 44 2.256 5.196 10.241 3 HB2 TYR 44 HB2 TYR 44 1.031 4.910 7.483 4 HB3 TYR 44 HB3 TYR 44 0.186 5.472 8.921 5 HD1 TYR 44 HD1 TYR 44 2.404 7.218 10.039 6 HD2 TYR 44 HD2 TYR 44 0.820 6.798 6.119 7 HE1 TYR 44 HE1 TYR 44 3.080 9.532 9.534 8 HE2 TYR 44 HE2 TYR 44 1.492 9.082 5.591 9 HH TYR 44 HH TYR 44 3.667 10.828 7.350 No H/Q in entry = 9 In of MODEL 12 1 H TYR 45 H TYR 45 2.477 2.687 7.887 2 HA TYR 45 HA TYR 45 0.366 1.015 8.698 3 HB2 TYR 45 HB2 TYR 45 1.299 0.964 6.473 4 HB3 TYR 45 HB3 TYR 45 2.889 0.589 7.100 5 HD1 TYR 45 HD1 TYR 45 -0.556 -0.853 7.041 6 HD2 TYR 45 HD2 TYR 45 3.636 -1.517 6.982 7 HE1 TYR 45 HE1 TYR 45 -0.946 -3.245 6.627 8 HE2 TYR 45 HE2 TYR 45 3.269 -3.901 6.578 9 HH TYR 45 HH TYR 45 0.186 -5.164 5.745 No H/Q in entry = 9 In of MODEL 12 1 H ASP 46 H ASP 46 3.843 1.004 9.456 2 HA ASP 46 HA ASP 46 3.626 -1.526 10.802 3 HB2 ASP 46 HB2 ASP 46 5.695 -0.067 9.668 4 HB3 ASP 46 HB3 ASP 46 6.046 -0.011 11.389 No H/Q in entry = 4 In of MODEL 12 1 H GLU 47 H GLU 47 3.157 1.704 11.747 2 HA GLU 47 HA GLU 47 3.671 1.099 14.544 3 HB2 GLU 47 HB2 GLU 47 3.152 3.462 14.949 4 HB3 GLU 47 HB3 GLU 47 4.426 3.252 13.761 5 HG2 GLU 47 HG2 GLU 47 2.798 3.646 11.975 6 HG3 GLU 47 HG3 GLU 47 1.546 3.908 13.188 No H/Q in entry = 6 In of MODEL 12 1 H LEU 48 H LEU 48 1.282 0.233 12.638 2 HA LEU 48 HA LEU 48 -1.042 1.336 13.790 3 HB2 LEU 48 HB2 LEU 48 -0.497 -1.038 12.040 4 HB3 LEU 48 HB3 LEU 48 -2.115 -0.638 12.557 5 HG LEU 48 HG LEU 48 -0.319 1.159 10.954 6 HD11 LEU 48 HD11 LEU 48 -1.145 -0.761 9.689 7 HD12 LEU 48 HD12 LEU 48 -2.796 -0.369 10.175 8 HD13 LEU 48 HD13 LEU 48 -1.891 0.741 9.147 9 HD21 LEU 48 HD21 LEU 48 -3.110 1.482 12.019 10 HD22 LEU 48 HD22 LEU 48 -1.704 2.502 12.323 11 HD23 LEU 48 HD23 LEU 48 -2.442 2.477 10.722 No H/Q in entry = 11 In of MODEL 12 1 H GLU 49 H GLU 49 -2.554 -1.033 14.084 2 HA GLU 49 HA GLU 49 -1.776 -1.765 16.815 3 HB2 GLU 49 HB2 GLU 49 -4.560 -0.967 15.941 4 HB3 GLU 49 HB3 GLU 49 -4.087 -1.463 17.558 5 HG2 GLU 49 HG2 GLU 49 -2.587 0.508 17.663 6 HG3 GLU 49 HG3 GLU 49 -3.225 1.025 16.105 No H/Q in entry = 6 In of MODEL 12 1 H GLY 50 H GLY 50 -4.358 -3.189 17.152 2 HA2 GLY 50 HA2 GLY 50 -5.028 -5.384 16.940 3 HA3 GLY 50 HA3 GLY 50 -3.558 -5.693 16.028 No H/Q in entry = 3 In of MODEL 12 1 H ASP 51 H ASP 51 -6.895 -4.628 15.829 2 HA ASP 51 HA ASP 51 -7.270 -5.761 13.258 3 HB2 ASP 51 HB2 ASP 51 -8.918 -4.144 15.123 4 HB3 ASP 51 HB3 ASP 51 -9.374 -4.076 13.423 No H/Q in entry = 4 In of MODEL 12 1 H ALA 52 H ALA 52 -6.257 -2.607 14.337 2 HA ALA 52 HA ALA 52 -6.862 -1.095 12.046 3 HB1 ALA 52 HB1 ALA 52 -4.441 -0.790 13.835 4 HB2 ALA 52 HB2 ALA 52 -5.125 0.438 12.770 5 HB3 ALA 52 HB3 ALA 52 -6.039 -0.123 14.169 No H/Q in entry = 5 In of MODEL 12 1 H LYS 53 H LYS 53 -4.053 -3.066 12.848 2 HA LYS 53 HA LYS 53 -2.591 -2.414 10.495 3 HB2 LYS 53 HB2 LYS 53 -1.822 -3.366 12.831 4 HB3 LYS 53 HB3 LYS 53 -2.129 -4.918 12.078 5 HG2 LYS 53 HG2 LYS 53 -0.348 -2.907 10.766 6 HG3 LYS 53 HG3 LYS 53 0.252 -3.960 12.046 7 HD2 LYS 53 HD2 LYS 53 -0.529 -5.911 10.708 8 HD3 LYS 53 HD3 LYS 53 -0.933 -4.792 9.404 9 HE2 LYS 53 HE2 LYS 53 1.393 -4.071 9.285 10 HE3 LYS 53 HE3 LYS 53 1.808 -5.151 10.613 11 HZ1 LYS 53 HZ1 LYS 53 1.123 -7.027 9.215 12 HZ2 LYS 53 HZ2 LYS 53 0.815 -5.964 7.934 13 HZ3 LYS 53 HZ3 LYS 53 2.389 -6.150 8.519 No H/Q in entry = 13 In of MODEL 12 1 H LYS 54 H LYS 54 -4.466 -5.226 11.564 2 HA LYS 54 HA LYS 54 -4.356 -6.773 9.267 3 HB2 LYS 54 HB2 LYS 54 -5.560 -8.055 10.610 4 HB3 LYS 54 HB3 LYS 54 -5.881 -6.692 11.670 5 HG2 LYS 54 HG2 LYS 54 -7.913 -6.234 10.686 6 HG3 LYS 54 HG3 LYS 54 -7.505 -7.081 9.189 7 HD2 LYS 54 HD2 LYS 54 -7.506 -9.205 10.459 8 HD3 LYS 54 HD3 LYS 54 -8.035 -8.318 11.889 9 HE2 LYS 54 HE2 LYS 54 -9.530 -8.573 9.282 10 HE3 LYS 54 HE3 LYS 54 -9.926 -9.383 10.794 11 HZ1 LYS 54 HZ1 LYS 54 -10.210 -7.118 11.782 12 HZ2 LYS 54 HZ2 LYS 54 -10.067 -6.481 10.215 13 HZ3 LYS 54 HZ3 LYS 54 -11.345 -7.520 10.588 No H/Q in entry = 13 In of MODEL 12 1 H GLU 55 H GLU 55 -6.646 -4.160 10.056 2 HA GLU 55 HA GLU 55 -8.156 -4.422 7.698 3 HB2 GLU 55 HB2 GLU 55 -7.857 -2.344 9.836 4 HB3 GLU 55 HB3 GLU 55 -8.801 -1.976 8.409 5 HG2 GLU 55 HG2 GLU 55 -10.130 -4.049 8.881 6 HG3 GLU 55 HG3 GLU 55 -9.275 -4.153 10.415 No H/Q in entry = 6 In of MODEL 12 1 H ALA 56 H ALA 56 -5.541 -2.157 8.609 2 HA ALA 56 HA ALA 56 -5.530 -0.805 6.182 3 HB1 ALA 56 HB1 ALA 56 -3.239 -0.121 6.722 4 HB2 ALA 56 HB2 ALA 56 -3.161 -1.363 7.972 5 HB3 ALA 56 HB3 ALA 56 -4.284 -0.012 8.138 No H/Q in entry = 5 In of MODEL 12 1 H THR 57 H THR 57 -3.624 -3.615 7.201 2 HA THR 57 HA THR 57 -2.168 -4.057 4.910 3 HB THR 57 HB THR 57 -3.404 -6.188 6.667 4 HG1 THR 57 HG1 THR 57 -2.165 -4.969 7.994 5 HG21 THR 57 HG21 THR 57 -1.027 -6.249 4.806 6 HG22 THR 57 HG22 THR 57 -1.481 -7.542 5.920 7 HG23 THR 57 HG23 THR 57 -2.557 -7.102 4.595 No H/Q in entry = 7 In of MODEL 12 1 H GLU 58 H GLU 58 -5.428 -5.147 5.667 2 HA GLU 58 HA GLU 58 -5.933 -6.589 3.294 3 HB2 GLU 58 HB2 GLU 58 -7.708 -5.304 5.359 4 HB3 GLU 58 HB3 GLU 58 -8.373 -6.139 3.959 5 HG2 GLU 58 HG2 GLU 58 -6.630 -7.297 6.116 6 HG3 GLU 58 HG3 GLU 58 -8.344 -7.607 5.855 No H/Q in entry = 6 In of MODEL 12 1 H HIS 59 H HIS 59 -6.092 -3.176 4.051 2 HA HIS 59 HA HIS 59 -7.611 -2.498 1.693 3 HB2 HIS 59 HB2 HIS 59 -6.099 -0.834 3.705 4 HB3 HIS 59 HB3 HIS 59 -6.857 -0.132 2.284 5 HD1 HIS 59 HD1 HIS 59 -9.579 -1.317 2.225 6 HD2 HIS 59 HD2 HIS 59 -7.702 -0.288 5.785 7 HE1 HIS 59 HE1 HIS 59 -11.429 -0.969 3.891 8 HE2 HIS 59 HE2 HIS 59 -10.254 -0.568 6.081 No H/Q in entry = 8 In of MODEL 12 1 H LEU 60 H LEU 60 -4.245 -2.027 2.753 2 HA LEU 60 HA LEU 60 -3.166 -1.174 0.388 3 HB2 LEU 60 HB2 LEU 60 -2.084 -2.722 2.701 4 HB3 LEU 60 HB3 LEU 60 -1.073 -2.402 1.302 5 HG LEU 60 HG LEU 60 -1.611 0.011 1.605 6 HD11 LEU 60 HD11 LEU 60 -3.594 -0.190 2.905 7 HD12 LEU 60 HD12 LEU 60 -2.659 -0.859 4.249 8 HD13 LEU 60 HD13 LEU 60 -2.391 0.808 3.726 9 HD21 LEU 60 HD21 LEU 60 -0.143 -1.356 3.840 10 HD22 LEU 60 HD22 LEU 60 0.535 -0.888 2.282 11 HD23 LEU 60 HD23 LEU 60 0.005 0.349 3.420 No H/Q in entry = 11 In of MODEL 12 1 H LYS 61 H LYS 61 -3.992 -4.460 1.392 2 HA LYS 61 HA LYS 61 -2.739 -5.838 -0.696 3 HB2 LYS 61 HB2 LYS 61 -5.176 -6.426 0.952 4 HB3 LYS 61 HB3 LYS 61 -4.731 -7.475 -0.388 5 HG2 LYS 61 HG2 LYS 61 -2.563 -7.891 0.646 6 HG3 LYS 61 HG3 LYS 61 -2.995 -6.821 1.984 7 HD2 LYS 61 HD2 LYS 61 -4.868 -8.287 2.547 8 HD3 LYS 61 HD3 LYS 61 -4.439 -9.353 1.209 9 HE2 LYS 61 HE2 LYS 61 -2.348 -9.908 2.247 10 HE3 LYS 61 HE3 LYS 61 -2.610 -8.711 3.516 11 HZ1 LYS 61 HZ1 LYS 61 -4.581 -9.994 4.204 12 HZ2 LYS 61 HZ2 LYS 61 -4.188 -11.183 3.063 13 HZ3 LYS 61 HZ3 LYS 61 -3.138 -10.875 4.356 No H/Q in entry = 13 In of MODEL 12 1 H GLY 62 H GLY 62 -6.101 -4.654 -0.505 2 HA2 GLY 62 HA2 GLY 62 -7.497 -3.864 -2.146 3 HA3 GLY 62 HA3 GLY 62 -6.845 -5.163 -3.137 No H/Q in entry = 3 In of MODEL 12 1 H GLY 63 H GLY 63 -5.218 -2.290 -1.796 2 HA2 GLY 63 HA2 GLY 63 -3.898 -0.716 -2.826 3 HA3 GLY 63 HA3 GLY 63 -5.034 -0.812 -4.167 No H/Q in entry = 3 In of MODEL 12 1 H CYS 64 H CYS 64 -2.727 -3.114 -2.776 2 HA CYS 64 HA CYS 64 -0.881 -3.116 -4.872 3 HB2 CYS 64 HB2 CYS 64 -0.344 -4.130 -2.746 4 HB3 CYS 64 HB3 CYS 64 -1.651 -5.295 -2.924 No H/Q in entry = 4 In of MODEL 12 1 H ARG 65 H ARG 65 -3.802 -5.014 -4.331 2 HA ARG 65 HA ARG 65 -3.688 -6.767 -6.469 3 HB2 ARG 65 HB2 ARG 65 -5.425 -6.879 -4.751 4 HB3 ARG 65 HB3 ARG 65 -6.109 -5.363 -5.321 5 HG2 ARG 65 HG2 ARG 65 -6.459 -6.538 -7.549 6 HG3 ARG 65 HG3 ARG 65 -6.112 -8.036 -6.682 7 HD2 ARG 65 HD2 ARG 65 -8.503 -7.672 -6.771 8 HD3 ARG 65 HD3 ARG 65 -7.934 -7.516 -5.109 9 HE ARG 65 HE ARG 65 -8.250 -5.083 -6.722 10 HH11 ARG 65 HH11 ARG 65 -9.410 -7.119 -4.108 11 HH12 ARG 65 HH12 ARG 65 -10.377 -5.866 -3.402 12 HH21 ARG 65 HH21 ARG 65 -9.549 -3.461 -5.817 13 HH22 ARG 65 HH22 ARG 65 -10.457 -3.782 -4.372 No H/Q in entry = 13 In of MODEL 12 1 H GLU 66 H GLU 66 -4.921 -3.438 -6.381 2 HA GLU 66 HA GLU 66 -5.851 -3.361 -9.026 3 HB2 GLU 66 HB2 GLU 66 -4.834 -1.079 -7.328 4 HB3 GLU 66 HB3 GLU 66 -5.814 -0.920 -8.780 5 HG2 GLU 66 HG2 GLU 66 -6.632 -2.204 -6.184 6 HG3 GLU 66 HG3 GLU 66 -7.195 -0.663 -6.827 No H/Q in entry = 6 In of MODEL 12 1 H ILE 67 H ILE 67 -2.684 -2.507 -7.652 2 HA ILE 67 HA ILE 67 -1.552 -1.736 -10.154 3 HB ILE 67 HB ILE 67 -0.279 -2.582 -7.553 4 HG12 ILE 67 HG12 ILE 67 -0.518 0.074 -8.984 5 HG13 ILE 67 HG13 ILE 67 -1.432 -0.422 -7.564 6 HG21 ILE 67 HG21 ILE 67 1.226 -3.232 -9.369 7 HG22 ILE 67 HG22 ILE 67 1.120 -1.606 -10.047 8 HG23 ILE 67 HG23 ILE 67 1.875 -1.856 -8.473 9 HD11 ILE 67 HD11 ILE 67 0.636 -0.490 -6.267 10 HD12 ILE 67 HD12 ILE 67 1.541 0.015 -7.693 11 HD13 ILE 67 HD13 ILE 67 0.353 1.101 -6.974 No H/Q in entry = 11 In of MODEL 12 1 H LEU 68 H LEU 68 -1.625 -4.739 -8.319 2 HA LEU 68 HA LEU 68 -0.018 -6.275 -10.056 3 HB2 LEU 68 HB2 LEU 68 -0.699 -6.756 -7.655 4 HB3 LEU 68 HB3 LEU 68 -2.252 -7.263 -8.278 5 HG LEU 68 HG LEU 68 -0.369 -9.006 -7.729 6 HD11 LEU 68 HD11 LEU 68 -2.132 -9.104 -10.152 7 HD12 LEU 68 HD12 LEU 68 -1.308 -10.500 -9.456 8 HD13 LEU 68 HD13 LEU 68 -2.527 -9.632 -8.518 9 HD21 LEU 68 HD21 LEU 68 1.344 -7.997 -9.128 10 HD22 LEU 68 HD22 LEU 68 0.941 -9.617 -9.697 11 HD23 LEU 68 HD23 LEU 68 0.321 -8.203 -10.548 No H/Q in entry = 11 In of MODEL 12 1 H LYS 69 H LYS 69 -3.304 -5.233 -10.143 2 HA LYS 69 HA LYS 69 -4.134 -7.013 -12.196 3 HB2 LYS 69 HB2 LYS 69 -5.317 -4.444 -11.169 4 HB3 LYS 69 HB3 LYS 69 -6.011 -5.314 -12.532 5 HG2 LYS 69 HG2 LYS 69 -6.015 -7.344 -10.930 6 HG3 LYS 69 HG3 LYS 69 -5.835 -6.131 -9.661 7 HD2 LYS 69 HD2 LYS 69 -8.166 -6.589 -9.898 8 HD3 LYS 69 HD3 LYS 69 -7.868 -4.993 -10.588 9 HE2 LYS 69 HE2 LYS 69 -7.925 -5.882 -12.816 10 HE3 LYS 69 HE3 LYS 69 -8.001 -7.531 -12.207 11 HZ1 LYS 69 HZ1 LYS 69 -10.174 -7.006 -11.242 12 HZ2 LYS 69 HZ2 LYS 69 -10.097 -5.453 -11.897 13 HZ3 LYS 69 HZ3 LYS 69 -10.168 -6.798 -12.923 No H/Q in entry = 13 In of MODEL 12 1 H HIS 70 H HIS 70 -1.968 -4.524 -12.253 2 HA HIS 70 HA HIS 70 -2.554 -3.847 -15.043 3 HB2 HIS 70 HB2 HIS 70 -2.361 -1.844 -13.660 4 HB3 HIS 70 HB3 HIS 70 -0.825 -2.405 -13.011 5 HD1 HIS 70 HD1 HIS 70 -2.240 -0.383 -15.686 6 HD2 HIS 70 HD2 HIS 70 1.287 -2.487 -15.033 7 HE1 HIS 70 HE1 HIS 70 -0.618 0.481 -17.395 8 HE2 HIS 70 HE2 HIS 70 1.419 -0.971 -17.134 No H/Q in entry = 8 In of MODEL 12 1 H VAL 71 H VAL 71 0.029 -4.543 -12.745 2 HA VAL 71 HA VAL 71 2.033 -4.828 -14.667 3 HB VAL 71 HB VAL 71 2.589 -4.128 -12.468 4 HG11 VAL 71 HG11 VAL 71 1.533 -6.729 -11.504 5 HG12 VAL 71 HG12 VAL 71 2.431 -5.558 -10.530 6 HG13 VAL 71 HG13 VAL 71 0.866 -5.120 -11.229 7 HG21 VAL 71 HG21 VAL 71 3.675 -6.829 -13.099 8 HG22 VAL 71 HG22 VAL 71 4.379 -5.255 -13.463 9 HG23 VAL 71 HG23 VAL 71 4.290 -5.813 -11.795 No H/Q in entry = 9 In of MODEL 12 1 H VAL 72 H VAL 72 0.258 -7.326 -12.800 2 HA VAL 72 HA VAL 72 1.414 -9.287 -14.637 3 HB VAL 72 HB VAL 72 1.099 -9.525 -11.999 4 HG11 VAL 72 HG11 VAL 72 -1.443 -10.606 -13.134 5 HG12 VAL 72 HG12 VAL 72 -0.778 -11.116 -11.580 6 HG13 VAL 72 HG13 VAL 72 -1.235 -9.433 -11.834 7 HG21 VAL 72 HG21 VAL 72 0.923 -11.700 -14.036 8 HG22 VAL 72 HG22 VAL 72 2.379 -11.015 -13.321 9 HG23 VAL 72 HG23 VAL 72 1.269 -11.958 -12.328 No H/Q in entry = 9 In of MODEL 12 1 H GLY 73 H GLY 73 -1.268 -7.369 -14.288 2 HA2 GLY 73 HA2 GLY 73 -2.604 -8.657 -16.487 3 HA3 GLY 73 HA3 GLY 73 -3.071 -7.150 -15.713 No H/Q in entry = 3 In of MODEL 12 1 H GLU 74 H GLU 74 -5.242 -8.047 -15.934 2 HA GLU 74 HA GLU 74 -6.191 -9.212 -13.550 3 HB2 GLU 74 HB2 GLU 74 -7.518 -7.758 -15.096 4 HB3 GLU 74 HB3 GLU 74 -7.579 -9.093 -16.235 5 HG2 GLU 74 HG2 GLU 74 -8.864 -10.415 -14.713 6 HG3 GLU 74 HG3 GLU 74 -8.670 -9.213 -13.437 No H/Q in entry = 6 In of MODEL 12 1 H GLU 75 H GLU 75 -5.114 -10.477 -16.575 2 HA GLU 75 HA GLU 75 -5.973 -13.077 -16.694 3 HB2 GLU 75 HB2 GLU 75 -4.561 -12.190 -18.390 4 HB3 GLU 75 HB3 GLU 75 -3.265 -11.879 -17.245 5 HG2 GLU 75 HG2 GLU 75 -2.925 -14.265 -16.948 6 HG3 GLU 75 HG3 GLU 75 -4.258 -14.603 -18.052 No H/Q in entry = 6 In of MODEL 12 1 H LYS 76 H LYS 76 -2.932 -12.148 -15.029 2 HA LYS 76 HA LYS 76 -2.742 -14.812 -14.001 3 HB2 LYS 76 HB2 LYS 76 -0.999 -12.406 -13.437 4 HB3 LYS 76 HB3 LYS 76 -0.627 -14.079 -13.076 5 HG2 LYS 76 HG2 LYS 76 -0.950 -12.886 -15.810 6 HG3 LYS 76 HG3 LYS 76 0.558 -13.392 -15.052 7 HD2 LYS 76 HD2 LYS 76 -1.745 -15.232 -15.698 8 HD3 LYS 76 HD3 LYS 76 -0.313 -15.024 -16.703 9 HE2 LYS 76 HE2 LYS 76 1.083 -15.801 -14.835 10 HE3 LYS 76 HE3 LYS 76 -0.368 -16.046 -13.868 11 HZ1 LYS 76 HZ1 LYS 76 0.171 -17.409 -16.447 12 HZ2 LYS 76 HZ2 LYS 76 0.451 -18.099 -14.929 13 HZ3 LYS 76 HZ3 LYS 76 -1.129 -17.701 -15.402 No H/Q in entry = 13 In of MODEL 12 1 H ALA 77 H ALA 77 -3.630 -11.661 -12.762 2 HA ALA 77 HA ALA 77 -3.644 -12.298 -10.018 3 HB1 ALA 77 HB1 ALA 77 -5.088 -10.364 -9.753 4 HB2 ALA 77 HB2 ALA 77 -5.446 -10.358 -11.481 5 HB3 ALA 77 HB3 ALA 77 -3.815 -9.995 -10.916 No H/Q in entry = 5 In of MODEL 12 1 H ALA 78 H ALA 78 -5.963 -12.796 -12.608 2 HA ALA 78 HA ALA 78 -8.162 -13.640 -11.085 3 HB1 ALA 78 HB1 ALA 78 -8.785 -14.868 -13.220 4 HB2 ALA 78 HB2 ALA 78 -8.520 -13.130 -13.370 5 HB3 ALA 78 HB3 ALA 78 -7.271 -14.260 -13.899 No H/Q in entry = 5 In of MODEL 12 1 H GLU 79 H GLU 79 -5.320 -15.315 -12.281 2 HA GLU 79 HA GLU 79 -6.289 -17.919 -11.541 3 HB2 GLU 79 HB2 GLU 79 -3.449 -17.165 -12.228 4 HB3 GLU 79 HB3 GLU 79 -4.199 -18.751 -12.347 5 HG2 GLU 79 HG2 GLU 79 -5.756 -17.711 -14.058 6 HG3 GLU 79 HG3 GLU 79 -4.645 -16.343 -14.072 No H/Q in entry = 6 In of MODEL 12 1 H LEU 80 H LEU 80 -4.223 -15.467 -10.119 2 HA LEU 80 HA LEU 80 -3.364 -17.078 -7.938 3 HB2 LEU 80 HB2 LEU 80 -3.504 -14.080 -8.243 4 HB3 LEU 80 HB3 LEU 80 -2.627 -14.933 -6.984 5 HG LEU 80 HG LEU 80 -2.037 -15.302 -9.913 6 HD11 LEU 80 HD11 LEU 80 -0.759 -13.409 -7.957 7 HD12 LEU 80 HD12 LEU 80 -0.114 -13.814 -9.550 8 HD13 LEU 80 HD13 LEU 80 -1.669 -12.989 -9.411 9 HD21 LEU 80 HD21 LEU 80 -1.312 -17.093 -8.444 10 HD22 LEU 80 HD22 LEU 80 0.069 -16.194 -9.075 11 HD23 LEU 80 HD23 LEU 80 -0.475 -15.928 -7.419 No H/Q in entry = 11 In of MODEL 12 1 H LYS 81 H LYS 81 -6.093 -14.991 -8.560 2 HA LYS 81 HA LYS 81 -7.127 -14.860 -5.948 3 HB2 LYS 81 HB2 LYS 81 -7.824 -13.642 -8.177 4 HB3 LYS 81 HB3 LYS 81 -8.906 -15.011 -8.363 5 HG2 LYS 81 HG2 LYS 81 -8.877 -13.127 -6.014 6 HG3 LYS 81 HG3 LYS 81 -10.003 -13.059 -7.365 7 HD2 LYS 81 HD2 LYS 81 -10.742 -15.368 -6.765 8 HD3 LYS 81 HD3 LYS 81 -9.722 -15.265 -5.327 9 HE2 LYS 81 HE2 LYS 81 -11.976 -14.709 -4.709 10 HE3 LYS 81 HE3 LYS 81 -10.994 -13.248 -4.637 11 HZ1 LYS 81 HZ1 LYS 81 -11.866 -12.609 -6.808 12 HZ2 LYS 81 HZ2 LYS 81 -12.819 -14.007 -6.851 13 HZ3 LYS 81 HZ3 LYS 81 -13.115 -12.817 -5.689 No H/Q in entry = 13 In of MODEL 12 1 H ASN 82 H ASN 82 -7.893 -17.061 -8.656 2 HA ASN 82 HA ASN 82 -9.587 -18.714 -7.108 3 HB2 ASN 82 HB2 ASN 82 -9.651 -18.662 -9.602 4 HB3 ASN 82 HB3 ASN 82 -8.068 -19.420 -9.638 5 HD21 ASN 82 HD21 ASN 82 -11.438 -19.879 -8.878 6 HD22 ASN 82 HD22 ASN 82 -11.401 -21.610 -8.874 No H/Q in entry = 6 In of MODEL 12 1 H LEU 83 H LEU 83 -6.113 -18.921 -7.899 2 HA LEU 83 HA LEU 83 -5.599 -21.409 -6.843 3 HB2 LEU 83 HB2 LEU 83 -4.061 -18.893 -7.159 4 HB3 LEU 83 HB3 LEU 83 -3.389 -20.130 -6.138 5 HG LEU 83 HG LEU 83 -4.166 -20.545 -9.018 6 HD11 LEU 83 HD11 LEU 83 -1.452 -20.090 -7.789 7 HD12 LEU 83 HD12 LEU 83 -1.755 -20.549 -9.466 8 HD13 LEU 83 HD13 LEU 83 -2.315 -18.990 -8.864 9 HD21 LEU 83 HD21 LEU 83 -2.647 -22.285 -7.078 10 HD22 LEU 83 HD22 LEU 83 -4.247 -22.603 -7.745 11 HD23 LEU 83 HD23 LEU 83 -2.835 -22.610 -8.799 No H/Q in entry = 11 In of MODEL 12 1 H LYS 84 H LYS 84 -5.853 -18.286 -5.177 2 HA LYS 84 HA LYS 84 -5.061 -19.199 -2.633 3 HB2 LYS 84 HB2 LYS 84 -5.236 -16.797 -3.332 4 HB3 LYS 84 HB3 LYS 84 -6.985 -16.940 -3.214 5 HG2 LYS 84 HG2 LYS 84 -6.820 -17.433 -0.850 6 HG3 LYS 84 HG3 LYS 84 -5.060 -17.400 -0.942 7 HD2 LYS 84 HD2 LYS 84 -5.848 -15.317 -0.024 8 HD3 LYS 84 HD3 LYS 84 -5.180 -15.027 -1.630 9 HE2 LYS 84 HE2 LYS 84 -7.418 -14.984 -2.575 10 HE3 LYS 84 HE3 LYS 84 -8.109 -15.354 -0.997 11 HZ1 LYS 84 HZ1 LYS 84 -6.560 -12.912 -1.659 12 HZ2 LYS 84 HZ2 LYS 84 -8.240 -12.998 -1.510 13 HZ3 LYS 84 HZ3 LYS 84 -7.263 -13.265 -0.163 No H/Q in entry = 13 In of MODEL 12 1 H ASP 85 H ASP 85 -8.342 -18.610 -3.919 2 HA ASP 85 HA ASP 85 -9.699 -19.659 -1.683 3 HB2 ASP 85 HB2 ASP 85 -10.537 -19.105 -4.519 4 HB3 ASP 85 HB3 ASP 85 -11.653 -19.805 -3.352 No H/Q in entry = 4 In of MODEL 12 1 H SER 86 H SER 86 -8.315 -21.222 -4.463 2 HA SER 86 HA SER 86 -9.743 -23.688 -4.028 3 HB2 SER 86 HB2 SER 86 -8.921 -22.954 -6.279 4 HB3 SER 86 HB3 SER 86 -7.273 -23.223 -5.714 5 HG SER 86 HG SER 86 -8.146 -25.441 -5.187 No H/Q in entry = 5 In of MODEL 12 1 H GLY 87 H GLY 87 -7.132 -22.188 -2.544 2 HA2 GLY 87 HA2 GLY 87 -6.643 -24.718 -1.109 3 HA3 GLY 87 HA3 GLY 87 -6.524 -23.119 -0.395 No H/Q in entry = 3 In of MODEL 12 1 H ALA 88 H ALA 88 -5.063 -22.446 -3.129 2 HA ALA 88 HA ALA 88 -2.509 -23.582 -2.847 3 HB1 ALA 88 HB1 ALA 88 -3.206 -20.782 -3.737 4 HB2 ALA 88 HB2 ALA 88 -3.080 -22.201 -4.777 5 HB3 ALA 88 HB3 ALA 88 -1.648 -21.574 -3.964 No H/Q in entry = 5 In of MODEL 12 1 H SER 89 H SER 89 -1.177 -23.425 -1.224 2 HA SER 89 HA SER 89 -1.685 -22.090 1.172 3 HB2 SER 89 HB2 SER 89 1.036 -23.041 0.304 4 HB3 SER 89 HB3 SER 89 0.324 -23.059 1.913 5 HG SER 89 HG SER 89 0.034 -25.094 1.302 No H/Q in entry = 5 In of MODEL 12 1 H LYS 90 H LYS 90 0.057 -20.624 2.225 2 HA LYS 90 HA LYS 90 0.093 -18.191 0.821 3 HB2 LYS 90 HB2 LYS 90 0.292 -18.672 3.365 4 HB3 LYS 90 HB3 LYS 90 2.015 -18.820 3.047 5 HG2 LYS 90 HG2 LYS 90 1.552 -16.601 3.813 6 HG3 LYS 90 HG3 LYS 90 1.989 -16.533 2.107 7 HD2 LYS 90 HD2 LYS 90 -0.349 -16.358 1.483 8 HD3 LYS 90 HD3 LYS 90 -0.833 -16.523 3.172 9 HE2 LYS 90 HE2 LYS 90 0.346 -14.440 3.700 10 HE3 LYS 90 HE3 LYS 90 0.810 -14.279 2.009 11 HZ1 LYS 90 HZ1 LYS 90 -1.543 -14.158 1.428 12 HZ2 LYS 90 HZ2 LYS 90 -1.964 -14.276 3.056 13 HZ3 LYS 90 HZ3 LYS 90 -1.113 -12.925 2.504 No H/Q in entry = 13 In of MODEL 12 1 H GLU 91 H GLU 91 2.400 -20.802 1.077 2 HA GLU 91 HA GLU 91 4.602 -19.492 -0.104 3 HB2 GLU 91 HB2 GLU 91 3.863 -22.375 0.237 4 HB3 GLU 91 HB3 GLU 91 5.308 -21.902 -0.646 5 HG2 GLU 91 HG2 GLU 91 4.665 -21.298 2.224 6 HG3 GLU 91 HG3 GLU 91 5.892 -22.394 1.608 No H/Q in entry = 6 In of MODEL 12 1 H GLU 92 H GLU 92 2.080 -21.532 -1.459 2 HA GLU 92 HA GLU 92 2.815 -21.648 -4.107 3 HB2 GLU 92 HB2 GLU 92 0.042 -21.437 -2.942 4 HB3 GLU 92 HB3 GLU 92 0.451 -22.054 -4.531 5 HG2 GLU 92 HG2 GLU 92 1.424 -23.261 -1.975 6 HG3 GLU 92 HG3 GLU 92 -0.027 -23.770 -2.824 No H/Q in entry = 6 In of MODEL 12 1 H LEU 93 H LEU 93 0.922 -19.204 -2.367 2 HA LEU 93 HA LEU 93 0.646 -17.553 -4.686 3 HB2 LEU 93 HB2 LEU 93 0.405 -16.861 -1.760 4 HB3 LEU 93 HB3 LEU 93 0.082 -15.726 -3.058 5 HG LEU 93 HG LEU 93 -1.602 -17.872 -1.991 6 HD11 LEU 93 HD11 LEU 93 -2.132 -15.465 -3.711 7 HD12 LEU 93 HD12 LEU 93 -3.355 -16.459 -2.917 8 HD13 LEU 93 HD13 LEU 93 -2.213 -15.527 -1.948 9 HD21 LEU 93 HD21 LEU 93 -0.971 -18.972 -4.087 10 HD22 LEU 93 HD22 LEU 93 -2.660 -18.459 -4.105 11 HD23 LEU 93 HD23 LEU 93 -1.445 -17.530 -4.985 No H/Q in entry = 11 In of MODEL 12 1 H LYS 94 H LYS 94 3.125 -17.900 -2.209 2 HA LYS 94 HA LYS 94 4.348 -15.396 -2.826 3 HB2 LYS 94 HB2 LYS 94 4.573 -16.499 -0.629 4 HB3 LYS 94 HB3 LYS 94 5.491 -17.792 -1.381 5 HG2 LYS 94 HG2 LYS 94 7.249 -16.247 -1.979 6 HG3 LYS 94 HG3 LYS 94 6.322 -14.899 -1.321 7 HD2 LYS 94 HD2 LYS 94 6.498 -15.775 0.900 8 HD3 LYS 94 HD3 LYS 94 7.211 -17.276 0.306 9 HE2 LYS 94 HE2 LYS 94 8.469 -14.559 -0.016 10 HE3 LYS 94 HE3 LYS 94 8.845 -15.668 1.301 11 HZ1 LYS 94 HZ1 LYS 94 9.181 -16.305 -1.581 12 HZ2 LYS 94 HZ2 LYS 94 10.429 -15.803 -0.559 13 HZ3 LYS 94 HZ3 LYS 94 9.641 -17.271 -0.273 No H/Q in entry = 13 In of MODEL 12 1 H ALA 95 H ALA 95 4.709 -18.673 -3.870 2 HA ALA 95 HA ALA 95 7.080 -17.980 -5.357 3 HB1 ALA 95 HB1 ALA 95 7.065 -20.129 -4.202 4 HB2 ALA 95 HB2 ALA 95 7.175 -20.387 -5.944 5 HB3 ALA 95 HB3 ALA 95 5.636 -20.630 -5.111 No H/Q in entry = 5 In of MODEL 12 1 H LYS 96 H LYS 96 3.865 -19.349 -6.102 2 HA LYS 96 HA LYS 96 3.974 -19.338 -8.885 3 HB2 LYS 96 HB2 LYS 96 1.994 -19.792 -7.106 4 HB3 LYS 96 HB3 LYS 96 1.488 -18.232 -7.726 5 HG2 LYS 96 HG2 LYS 96 1.966 -20.723 -9.340 6 HG3 LYS 96 HG3 LYS 96 0.405 -20.013 -8.937 7 HD2 LYS 96 HD2 LYS 96 1.295 -17.916 -10.130 8 HD3 LYS 96 HD3 LYS 96 2.515 -18.995 -10.802 9 HE2 LYS 96 HE2 LYS 96 -0.473 -19.302 -11.067 10 HE3 LYS 96 HE3 LYS 96 0.643 -18.782 -12.331 11 HZ1 LYS 96 HZ1 LYS 96 0.657 -21.443 -11.007 12 HZ2 LYS 96 HZ2 LYS 96 0.076 -21.119 -12.559 13 HZ3 LYS 96 HZ3 LYS 96 1.723 -20.939 -12.221 No H/Q in entry = 13 In of MODEL 12 1 H VAL 97 H VAL 97 3.053 -16.661 -6.764 2 HA VAL 97 HA VAL 97 2.605 -14.632 -8.511 3 HB VAL 97 HB VAL 97 2.692 -14.697 -5.893 4 HG11 VAL 97 HG11 VAL 97 5.212 -13.364 -6.715 5 HG12 VAL 97 HG12 VAL 97 4.483 -13.198 -5.115 6 HG13 VAL 97 HG13 VAL 97 5.032 -14.777 -5.681 7 HG21 VAL 97 HG21 VAL 97 1.558 -13.015 -7.264 8 HG22 VAL 97 HG22 VAL 97 2.393 -12.285 -5.892 9 HG23 VAL 97 HG23 VAL 97 3.098 -12.189 -7.505 No H/Q in entry = 9 In of MODEL 12 1 H GLU 98 H GLU 98 5.757 -15.806 -7.551 2 HA GLU 98 HA GLU 98 7.187 -13.683 -8.781 3 HB2 GLU 98 HB2 GLU 98 8.030 -16.411 -7.832 4 HB3 GLU 98 HB3 GLU 98 9.157 -15.234 -8.504 5 HG2 GLU 98 HG2 GLU 98 7.360 -14.550 -6.200 6 HG3 GLU 98 HG3 GLU 98 8.912 -15.364 -5.960 No H/Q in entry = 6 In of MODEL 12 1 H GLU 99 H GLU 99 6.092 -16.826 -9.875 2 HA GLU 99 HA GLU 99 7.544 -16.901 -12.303 3 HB2 GLU 99 HB2 GLU 99 4.838 -18.078 -11.626 4 HB3 GLU 99 HB3 GLU 99 5.793 -18.491 -13.042 5 HG2 GLU 99 HG2 GLU 99 6.634 -18.936 -10.188 6 HG3 GLU 99 HG3 GLU 99 5.970 -20.165 -11.264 No H/Q in entry = 6 In of MODEL 12 1 H ALA 100 H ALA 100 4.401 -15.588 -11.404 2 HA ALA 100 HA ALA 100 3.753 -14.718 -14.043 3 HB1 ALA 100 HB1 ALA 100 2.558 -13.832 -11.424 4 HB2 ALA 100 HB2 ALA 100 2.083 -15.284 -12.305 5 HB3 ALA 100 HB3 ALA 100 1.835 -13.694 -13.026 No H/Q in entry = 5 In of MODEL 12 1 H LEU 101 H LEU 101 4.975 -13.099 -11.119 2 HA LEU 101 HA LEU 101 5.133 -10.510 -12.218 3 HB2 LEU 101 HB2 LEU 101 6.295 -11.901 -9.861 4 HB3 LEU 101 HB3 LEU 101 6.956 -10.348 -10.319 5 HG LEU 101 HG LEU 101 5.129 -10.407 -8.525 6 HD11 LEU 101 HD11 LEU 101 5.934 -8.355 -9.562 7 HD12 LEU 101 HD12 LEU 101 4.829 -8.596 -10.915 8 HD13 LEU 101 HD13 LEU 101 4.191 -8.282 -9.301 9 HD21 LEU 101 HD21 LEU 101 3.578 -11.889 -9.713 10 HD22 LEU 101 HD22 LEU 101 2.839 -10.340 -9.306 11 HD23 LEU 101 HD23 LEU 101 3.370 -10.655 -10.958 No H/Q in entry = 11 In of MODEL 12 1 H HIS 102 H HIS 102 7.123 -13.269 -12.676 2 HA HIS 102 HA HIS 102 9.260 -11.647 -13.789 3 HB2 HIS 102 HB2 HIS 102 8.869 -14.620 -13.522 4 HB3 HIS 102 HB3 HIS 102 10.187 -13.931 -14.468 5 HD1 HIS 102 HD1 HIS 102 10.939 -15.636 -12.093 6 HD2 HIS 102 HD2 HIS 102 10.285 -11.538 -11.816 7 HE1 HIS 102 HE1 HIS 102 12.170 -14.892 -10.030 8 HE2 HIS 102 HE2 HIS 102 11.647 -12.436 -9.809 No H/Q in entry = 8 In of MODEL 12 1 H ALA 103 H ALA 103 6.684 -13.827 -14.878 2 HA ALA 103 HA ALA 103 7.476 -13.930 -17.564 3 HB1 ALA 103 HB1 ALA 103 4.707 -14.372 -16.484 4 HB2 ALA 103 HB2 ALA 103 6.012 -15.556 -16.391 5 HB3 ALA 103 HB3 ALA 103 5.400 -15.034 -17.964 No H/Q in entry = 5 In of MODEL 12 1 H VAL 104 H VAL 104 6.301 -11.212 -16.024 2 HA VAL 104 HA VAL 104 4.435 -10.358 -17.968 3 HB VAL 104 HB VAL 104 3.961 -9.467 -15.940 4 HG11 VAL 104 HG11 VAL 104 6.872 -8.919 -15.504 5 HG12 VAL 104 HG12 VAL 104 5.577 -8.517 -14.379 6 HG13 VAL 104 HG13 VAL 104 5.908 -10.201 -14.773 7 HG21 VAL 104 HG21 VAL 104 4.081 -7.649 -17.611 8 HG22 VAL 104 HG22 VAL 104 4.351 -7.089 -15.961 9 HG23 VAL 104 HG23 VAL 104 5.716 -7.299 -17.054 No H/Q in entry = 9 In of MODEL 12 1 H THR 105 H THR 105 7.367 -8.631 -17.004 2 HA THR 105 HA THR 105 9.168 -7.877 -18.106 3 HB THR 105 HB THR 105 9.922 -8.820 -20.172 4 HG1 THR 105 HG1 THR 105 7.219 -9.567 -20.483 5 HG21 THR 105 HG21 THR 105 8.520 -10.906 -18.504 6 HG22 THR 105 HG22 THR 105 9.826 -11.220 -19.651 7 HG23 THR 105 HG23 THR 105 10.129 -10.242 -18.214 No H/Q in entry = 7 In of MODEL 12 1 H ASP 106 H ASP 106 6.159 -6.860 -18.803 2 HA ASP 106 HA ASP 106 6.907 -5.058 -20.928 3 HB2 ASP 106 HB2 ASP 106 4.474 -5.007 -19.140 4 HB3 ASP 106 HB3 ASP 106 4.702 -4.061 -20.593 No H/Q in entry = 4 In of MODEL 12 1 H GLU 107 H GLU 107 7.287 -2.865 -20.727 2 HA GLU 107 HA GLU 107 9.121 -2.398 -18.699 3 HB2 GLU 107 HB2 GLU 107 9.253 -0.079 -19.628 4 HB3 GLU 107 HB3 GLU 107 9.468 -1.369 -20.794 5 HG2 GLU 107 HG2 GLU 107 7.172 -1.061 -21.564 6 HG3 GLU 107 HG3 GLU 107 6.953 0.230 -20.382 No H/Q in entry = 6 In of MODEL 12 1 H GLU 108 H GLU 108 6.038 -0.645 -19.155 2 HA GLU 108 HA GLU 108 6.266 0.962 -16.871 3 HB2 GLU 108 HB2 GLU 108 4.660 1.358 -18.722 4 HB3 GLU 108 HB3 GLU 108 3.736 -0.040 -18.198 5 HG2 GLU 108 HG2 GLU 108 2.594 1.815 -17.351 6 HG3 GLU 108 HG3 GLU 108 3.466 1.140 -15.976 No H/Q in entry = 6 In of MODEL 12 1 H LYS 109 H LYS 109 4.940 -2.243 -17.350 2 HA LYS 109 HA LYS 109 3.772 -2.581 -14.811 3 HB2 LYS 109 HB2 LYS 109 4.896 -4.640 -16.714 4 HB3 LYS 109 HB3 LYS 109 3.845 -4.989 -15.352 5 HG2 LYS 109 HG2 LYS 109 2.078 -3.635 -16.383 6 HG3 LYS 109 HG3 LYS 109 3.133 -3.348 -17.767 7 HD2 LYS 109 HD2 LYS 109 3.246 -5.859 -18.038 8 HD3 LYS 109 HD3 LYS 109 1.961 -5.958 -16.837 9 HE2 LYS 109 HE2 LYS 109 0.464 -4.741 -18.235 10 HE3 LYS 109 HE3 LYS 109 1.749 -4.363 -19.379 11 HZ1 LYS 109 HZ1 LYS 109 0.712 -7.082 -18.799 12 HZ2 LYS 109 HZ2 LYS 109 0.344 -6.165 -20.170 13 HZ3 LYS 109 HZ3 LYS 109 1.930 -6.706 -19.913 No H/Q in entry = 13 In of MODEL 12 1 H LYS 110 H LYS 110 6.986 -3.429 -16.075 2 HA LYS 110 HA LYS 110 7.942 -4.575 -13.665 3 HB2 LYS 110 HB2 LYS 110 9.441 -3.355 -15.978 4 HB3 LYS 110 HB3 LYS 110 10.210 -4.213 -14.657 5 HG2 LYS 110 HG2 LYS 110 8.882 -6.227 -15.300 6 HG3 LYS 110 HG3 LYS 110 8.341 -5.332 -16.726 7 HD2 LYS 110 HD2 LYS 110 11.224 -5.867 -16.008 8 HD3 LYS 110 HD3 LYS 110 10.296 -6.790 -17.184 9 HE2 LYS 110 HE2 LYS 110 10.012 -4.813 -18.559 10 HE3 LYS 110 HE3 LYS 110 10.831 -3.826 -17.351 11 HZ1 LYS 110 HZ1 LYS 110 12.068 -6.055 -18.870 12 HZ2 LYS 110 HZ2 LYS 110 12.298 -4.413 -19.183 13 HZ3 LYS 110 HZ3 LYS 110 12.851 -5.084 -17.733 No H/Q in entry = 13 In of MODEL 12 1 H GLN 111 H GLN 111 7.593 -1.320 -14.705 2 HA GLN 111 HA GLN 111 9.342 -0.105 -12.844 3 HB2 GLN 111 HB2 GLN 111 6.771 0.879 -14.088 4 HB3 GLN 111 HB3 GLN 111 7.769 1.870 -13.034 5 HG2 GLN 111 HG2 GLN 111 8.649 0.655 -15.644 6 HG3 GLN 111 HG3 GLN 111 8.176 2.337 -15.397 7 HE21 GLN 111 HE21 GLN 111 10.622 -0.065 -14.860 8 HE22 GLN 111 HE22 GLN 111 11.860 1.019 -14.334 No H/Q in entry = 8 In of MODEL 12 1 H TYR 112 H TYR 112 6.028 -1.294 -12.602 2 HA TYR 112 HA TYR 112 5.636 -0.424 -9.892 3 HB2 TYR 112 HB2 TYR 112 4.190 -2.565 -11.467 4 HB3 TYR 112 HB3 TYR 112 3.676 -1.914 -9.913 5 HD1 TYR 112 HD1 TYR 112 3.908 0.902 -10.098 6 HD2 TYR 112 HD2 TYR 112 2.795 -1.843 -13.151 7 HE1 TYR 112 HE1 TYR 112 2.645 2.682 -11.238 8 HE2 TYR 112 HE2 TYR 112 1.539 -0.069 -14.302 9 HH TYR 112 HH TYR 112 0.449 2.066 -13.752 No H/Q in entry = 9 In of MODEL 12 1 H ILE 113 H ILE 113 6.913 -3.294 -11.447 2 HA ILE 113 HA ILE 113 7.018 -4.949 -9.183 3 HB ILE 113 HB ILE 113 8.873 -4.883 -11.563 4 HG12 ILE 113 HG12 ILE 113 6.403 -6.517 -10.942 5 HG13 ILE 113 HG13 ILE 113 6.538 -5.254 -12.161 6 HG21 ILE 113 HG21 ILE 113 8.466 -7.031 -9.483 7 HG22 ILE 113 HG22 ILE 113 9.434 -7.194 -10.948 8 HG23 ILE 113 HG23 ILE 113 9.915 -6.046 -9.696 9 HD11 ILE 113 HD11 ILE 113 8.159 -6.611 -13.377 10 HD12 ILE 113 HD12 ILE 113 8.006 -7.874 -12.158 11 HD13 ILE 113 HD13 ILE 113 6.626 -7.452 -13.166 No H/Q in entry = 11 In of MODEL 12 1 H ALA 114 H ALA 114 9.376 -2.632 -10.500 2 HA ALA 114 HA ALA 114 11.325 -3.073 -8.426 3 HB1 ALA 114 HB1 ALA 114 12.003 -2.410 -10.667 4 HB2 ALA 114 HB2 ALA 114 12.516 -1.205 -9.485 5 HB3 ALA 114 HB3 ALA 114 11.108 -0.896 -10.509 No H/Q in entry = 5 In of MODEL 12 1 H ASP 115 H ASP 115 8.905 -0.587 -9.126 2 HA ASP 115 HA ASP 115 9.848 1.116 -7.005 3 HB2 ASP 115 HB2 ASP 115 8.782 1.957 -9.112 4 HB3 ASP 115 HB3 ASP 115 7.246 1.321 -8.535 No H/Q in entry = 4 In of MODEL 12 1 H PHE 116 H PHE 116 6.923 -0.798 -7.521 2 HA PHE 116 HA PHE 116 6.200 -0.255 -4.747 3 HB2 PHE 116 HB2 PHE 116 4.507 0.484 -6.251 4 HB3 PHE 116 HB3 PHE 116 4.549 -1.025 -7.149 5 HD1 PHE 116 HD1 PHE 116 3.779 0.313 -3.767 6 HD2 PHE 116 HD2 PHE 116 3.010 -2.624 -6.739 7 HE1 PHE 116 HE1 PHE 116 1.919 -0.555 -2.408 8 HE2 PHE 116 HE2 PHE 116 1.144 -3.509 -5.384 9 HZ PHE 116 HZ PHE 116 0.602 -2.469 -3.217 No H/Q in entry = 9 In of MODEL 12 1 H GLY 117 H GLY 117 7.269 -2.768 -6.764 2 HA2 GLY 117 HA2 GLY 117 7.608 -5.010 -6.451 3 HA3 GLY 117 HA3 GLY 117 5.951 -5.024 -5.885 No H/Q in entry = 3 In of MODEL 12 1 HA PRO 118 HA PRO 118 9.506 -5.960 -2.597 2 HB2 PRO 118 HB2 PRO 118 10.186 -3.109 -2.038 3 HB3 PRO 118 HB3 PRO 118 11.219 -4.543 -1.982 4 HG2 PRO 118 HG2 PRO 118 11.374 -2.867 -4.032 5 HG3 PRO 118 HG3 PRO 118 11.468 -4.619 -4.289 6 HD2 PRO 118 HD2 PRO 118 9.218 -2.742 -4.833 7 HD3 PRO 118 HD3 PRO 118 9.715 -4.198 -5.717 No H/Q in entry = 7 In of MODEL 12 1 H ALA 119 H ALA 119 7.700 -2.917 -2.287 2 HA ALA 119 HA ALA 119 7.171 -3.309 0.511 3 HB1 ALA 119 HB1 ALA 119 5.767 -1.318 0.291 4 HB2 ALA 119 HB2 ALA 119 5.987 -1.363 -1.458 5 HB3 ALA 119 HB3 ALA 119 7.370 -1.074 -0.404 No H/Q in entry = 5 In of MODEL 12 1 H CYS 120 H CYS 120 5.392 -3.803 -2.499 2 HA CYS 120 HA CYS 120 2.916 -4.555 -1.474 3 HB2 CYS 120 HB2 CYS 120 3.281 -4.273 -3.854 4 HB3 CYS 120 HB3 CYS 120 4.437 -5.599 -3.872 No H/Q in entry = 4 In of MODEL 12 1 H LYS 121 H LYS 121 5.967 -6.261 -1.552 2 HA LYS 121 HA LYS 121 5.046 -8.867 -1.081 3 HB2 LYS 121 HB2 LYS 121 7.634 -7.672 -0.082 4 HB3 LYS 121 HB3 LYS 121 7.295 -9.376 -0.345 5 HG2 LYS 121 HG2 LYS 121 7.423 -7.251 -2.477 6 HG3 LYS 121 HG3 LYS 121 8.665 -8.455 -2.135 7 HD2 LYS 121 HD2 LYS 121 5.848 -9.206 -2.883 8 HD3 LYS 121 HD3 LYS 121 7.108 -8.934 -4.085 9 HE2 LYS 121 HE2 LYS 121 7.244 -10.939 -1.837 10 HE3 LYS 121 HE3 LYS 121 6.848 -11.314 -3.513 11 HZ1 LYS 121 HZ1 LYS 121 9.042 -10.424 -4.141 12 HZ2 LYS 121 HZ2 LYS 121 9.418 -10.229 -2.503 13 HZ3 LYS 121 HZ3 LYS 121 9.148 -11.774 -3.132 No H/Q in entry = 13 In of MODEL 12 1 H LYS 122 H LYS 122 6.144 -6.412 1.323 2 HA LYS 122 HA LYS 122 5.385 -8.001 3.547 3 HB2 LYS 122 HB2 LYS 122 5.665 -6.066 4.918 4 HB3 LYS 122 HB3 LYS 122 6.917 -6.022 3.691 5 HG2 LYS 122 HG2 LYS 122 5.797 -4.300 2.496 6 HG3 LYS 122 HG3 LYS 122 4.356 -4.462 3.501 7 HD2 LYS 122 HD2 LYS 122 5.582 -2.530 4.230 8 HD3 LYS 122 HD3 LYS 122 5.717 -3.777 5.466 9 HE2 LYS 122 HE2 LYS 122 7.928 -4.398 4.482 10 HE3 LYS 122 HE3 LYS 122 7.789 -3.000 3.420 11 HZ1 LYS 122 HZ1 LYS 122 7.580 -1.626 5.476 12 HZ2 LYS 122 HZ2 LYS 122 7.967 -3.002 6.377 13 HZ3 LYS 122 HZ3 LYS 122 9.087 -2.369 5.283 No H/Q in entry = 13 In of MODEL 12 1 H ILE 123 H ILE 123 3.611 -5.958 1.365 2 HA ILE 123 HA ILE 123 1.358 -5.504 2.991 3 HB ILE 123 HB ILE 123 1.634 -5.504 0.010 4 HG12 ILE 123 HG12 ILE 123 1.387 -3.335 2.103 5 HG13 ILE 123 HG13 ILE 123 2.849 -3.760 1.215 6 HG21 ILE 123 HG21 ILE 123 -0.748 -4.786 1.714 7 HG22 ILE 123 HG22 ILE 123 -0.573 -4.354 0.011 8 HG23 ILE 123 HG23 ILE 123 -0.659 -6.051 0.487 9 HD11 ILE 123 HD11 ILE 123 0.334 -2.713 -0.035 10 HD12 ILE 123 HD12 ILE 123 1.737 -1.733 0.386 11 HD13 ILE 123 HD13 ILE 123 1.877 -2.999 -0.834 No H/Q in entry = 11 In of MODEL 12 1 H TYR 124 H TYR 124 1.937 -7.839 0.478 2 HA TYR 124 HA TYR 124 -0.291 -9.548 1.118 3 HB2 TYR 124 HB2 TYR 124 1.864 -9.496 -0.922 4 HB3 TYR 124 HB3 TYR 124 1.210 -11.078 -0.504 5 HD1 TYR 124 HD1 TYR 124 0.088 -7.652 -1.485 6 HD2 TYR 124 HD2 TYR 124 -0.692 -11.832 -1.583 7 HE1 TYR 124 HE1 TYR 124 -1.837 -7.256 -2.963 8 HE2 TYR 124 HE2 TYR 124 -2.617 -11.445 -3.062 9 HH TYR 124 HH TYR 124 -3.165 -8.511 -4.638 No H/Q in entry = 9 In of MODEL 12 1 H GLY 125 H GLY 125 1.405 -9.068 3.270 2 HA2 GLY 125 HA2 GLY 125 2.826 -9.999 4.873 3 HA3 GLY 125 HA3 GLY 125 3.896 -9.522 3.587 No H/Q in entry = 3 In of MODEL 12 1 H VAL 126 H VAL 126 3.003 -11.843 1.935 2 HA VAL 126 HA VAL 126 3.746 -14.294 2.841 3 HB VAL 126 HB VAL 126 4.916 -14.607 0.592 4 HG11 VAL 126 HG11 VAL 126 2.118 -13.486 0.607 5 HG12 VAL 126 HG12 VAL 126 2.825 -14.472 -0.674 6 HG13 VAL 126 HG13 VAL 126 2.572 -15.159 0.928 7 HG21 VAL 126 HG21 VAL 126 5.636 -12.296 0.245 8 HG22 VAL 126 HG22 VAL 126 4.593 -12.835 -1.073 9 HG23 VAL 126 HG23 VAL 126 3.954 -11.774 0.182 No H/Q in entry = 9 In of MODEL 12 1 H HIS 127 H HIS 127 5.172 -14.308 4.521 2 HA HIS 127 HA HIS 127 7.903 -14.535 4.218 3 HB2 HIS 127 HB2 HIS 127 7.727 -12.058 3.644 4 HB3 HIS 127 HB3 HIS 127 7.195 -11.786 5.296 5 HD1 HIS 127 HD1 HIS 127 10.226 -12.773 3.302 6 HD2 HIS 127 HD2 HIS 127 9.210 -11.752 7.198 7 HE1 HIS 127 HE1 HIS 127 12.405 -12.452 4.505 8 HE2 HIS 127 HE2 HIS 127 11.758 -12.059 6.904 No H/Q in entry = 8 In of MODEL 12 1 H THR 128 H THR 128 6.320 -16.054 5.533 2 HA THR 128 HA THR 128 5.776 -17.038 7.498 3 HB THR 128 HB THR 128 7.643 -15.067 8.837 4 HG1 THR 128 HG1 THR 128 8.888 -16.130 7.354 5 HG21 THR 128 HG21 THR 128 6.159 -16.321 10.355 6 HG22 THR 128 HG22 THR 128 6.743 -17.831 9.659 7 HG23 THR 128 HG23 THR 128 7.847 -16.788 10.553 No H/Q in entry = 7 In of MODEL 12 1 H SER 129 H SER 129 3.687 -16.014 7.023 2 HA SER 129 HA SER 129 2.921 -14.230 9.212 3 HB2 SER 129 HB2 SER 129 1.325 -13.139 7.490 4 HB3 SER 129 HB3 SER 129 3.023 -12.674 7.461 5 HG SER 129 HG SER 129 3.055 -13.334 5.480 No H/Q in entry = 5 In of MODEL 13 1 HA2 GLY -4 HA2 GLY -4 -19.179 1.563 -15.102 2 HA3 GLY -4 HA3 GLY -4 -20.418 2.081 -13.968 3 H1 GLY -4 H1 GLY -4 -20.327 2.786 -16.841 4 H2 GLY -4 H2 GLY -4 -21.528 3.246 -15.747 No H/Q in entry = 4 In of MODEL 13 1 H SER -3 H SER -3 -17.963 2.694 -13.256 2 HA SER -3 HA SER -3 -17.489 5.461 -14.116 3 HB2 SER -3 HB2 SER -3 -16.912 5.915 -11.659 4 HB3 SER -3 HB3 SER -3 -18.623 5.739 -12.052 5 HG SER -3 HG SER -3 -17.160 3.467 -11.280 No H/Q in entry = 5 In of MODEL 13 1 HA PRO -2 HA PRO -2 -13.615 2.981 -14.496 2 HB2 PRO -2 HB2 PRO -2 -13.093 4.987 -16.592 3 HB3 PRO -2 HB3 PRO -2 -13.041 3.226 -16.687 4 HG2 PRO -2 HG2 PRO -2 -15.005 4.632 -17.852 5 HG3 PRO -2 HG3 PRO -2 -15.303 3.044 -17.118 6 HD2 PRO -2 HD2 PRO -2 -15.895 5.775 -16.039 7 HD3 PRO -2 HD3 PRO -2 -16.877 4.295 -15.964 No H/Q in entry = 7 In of MODEL 13 1 H GLU -1 H GLU -1 -13.445 6.425 -15.359 2 HA GLU -1 HA GLU -1 -12.147 8.131 -14.600 3 HB2 GLU -1 HB2 GLU -1 -12.958 6.902 -11.965 4 HB3 GLU -1 HB3 GLU -1 -12.326 8.531 -12.171 5 HG2 GLU -1 HG2 GLU -1 -14.243 9.120 -13.543 6 HG3 GLU -1 HG3 GLU -1 -14.870 7.479 -13.388 No H/Q in entry = 6 In of MODEL 13 1 H PHE 0 H PHE 0 -10.394 6.543 -15.532 2 HA PHE 0 HA PHE 0 -8.606 5.367 -13.657 3 HB2 PHE 0 HB2 PHE 0 -8.355 6.027 -16.586 4 HB3 PHE 0 HB3 PHE 0 -7.038 5.306 -15.669 5 HD1 PHE 0 HD1 PHE 0 -10.347 4.779 -17.112 6 HD2 PHE 0 HD2 PHE 0 -7.168 3.012 -14.903 7 HE1 PHE 0 HE1 PHE 0 -11.312 2.555 -17.514 8 HE2 PHE 0 HE2 PHE 0 -8.131 0.783 -15.299 9 HZ PHE 0 HZ PHE 0 -10.167 0.538 -16.609 No H/Q in entry = 9 In of MODEL 13 1 H HIS 1 H HIS 1 -7.314 6.412 -12.348 2 HA HIS 1 HA HIS 1 -6.391 9.104 -13.063 3 HB2 HIS 1 HB2 HIS 1 -6.332 7.644 -10.408 4 HB3 HIS 1 HB3 HIS 1 -5.720 9.274 -10.674 5 HD1 HIS 1 HD1 HIS 1 -8.542 7.677 -9.317 6 HD2 HIS 1 HD2 HIS 1 -8.024 10.931 -11.854 7 HE1 HIS 1 HE1 HIS 1 -10.678 8.998 -9.175 8 HE2 HIS 1 HE2 HIS 1 -10.272 11.042 -10.587 No H/Q in entry = 8 In of MODEL 13 1 H HIS 2 H HIS 2 -5.483 6.054 -13.472 2 HA HIS 2 HA HIS 2 -3.568 4.974 -13.983 3 HB2 HIS 2 HB2 HIS 2 -3.144 7.166 -15.224 4 HB3 HIS 2 HB3 HIS 2 -2.140 7.635 -13.861 5 HD1 HIS 2 HD1 HIS 2 0.233 7.337 -14.467 6 HD2 HIS 2 HD2 HIS 2 -2.148 4.323 -16.047 7 HE1 HIS 2 HE1 HIS 2 1.802 5.812 -15.700 8 HE2 HIS 2 HE2 HIS 2 0.321 4.081 -16.768 No H/Q in entry = 8 In of MODEL 13 1 H PHE 3 H PHE 3 -4.422 5.188 -11.349 2 HA PHE 3 HA PHE 3 -3.835 4.640 -9.248 3 HB2 PHE 3 HB2 PHE 3 -1.215 3.873 -10.542 4 HB3 PHE 3 HB3 PHE 3 -1.713 3.418 -8.914 5 HD1 PHE 3 HD1 PHE 3 -4.190 2.332 -8.885 6 HD2 PHE 3 HD2 PHE 3 -1.477 2.281 -12.163 7 HE1 PHE 3 HE1 PHE 3 -5.314 0.335 -9.781 8 HE2 PHE 3 HE2 PHE 3 -2.599 0.288 -13.064 9 HZ PHE 3 HZ PHE 3 -4.565 -0.656 -11.890 No H/Q in entry = 9 In of MODEL 13 1 H THR 4 H THR 4 -3.965 6.616 -8.309 2 HA THR 4 HA THR 4 -1.415 8.002 -7.882 3 HB THR 4 HB THR 4 -2.765 10.154 -7.772 4 HG1 THR 4 HG1 THR 4 -4.751 10.120 -8.882 5 HG21 THR 4 HG21 THR 4 -1.263 9.617 -9.637 6 HG22 THR 4 HG22 THR 4 -2.573 8.750 -10.440 7 HG23 THR 4 HG23 THR 4 -2.689 10.491 -10.192 No H/Q in entry = 7 In of MODEL 13 1 H LEU 5 H LEU 5 -1.253 9.173 -5.894 2 HA LEU 5 HA LEU 5 -2.127 7.751 -3.681 3 HB2 LEU 5 HB2 LEU 5 -0.206 9.543 -4.134 4 HB3 LEU 5 HB3 LEU 5 -1.365 10.609 -3.373 5 HG LEU 5 HG LEU 5 0.286 9.793 -1.779 6 HD11 LEU 5 HD11 LEU 5 -2.462 8.672 -1.280 7 HD12 LEU 5 HD12 LEU 5 -1.227 8.951 -0.053 8 HD13 LEU 5 HD13 LEU 5 -1.920 10.313 -0.934 9 HD21 LEU 5 HD21 LEU 5 0.758 7.649 -2.883 10 HD22 LEU 5 HD22 LEU 5 0.431 7.467 -1.161 11 HD23 LEU 5 HD23 LEU 5 -0.807 7.045 -2.340 No H/Q in entry = 11 In of MODEL 13 1 H GLU 6 H GLU 6 -3.270 10.980 -4.774 2 HA GLU 6 HA GLU 6 -5.384 11.252 -2.970 3 HB2 GLU 6 HB2 GLU 6 -5.127 12.188 -5.834 4 HB3 GLU 6 HB3 GLU 6 -6.423 12.690 -4.758 5 HG2 GLU 6 HG2 GLU 6 -4.868 13.738 -3.268 6 HG3 GLU 6 HG3 GLU 6 -3.502 13.103 -4.183 No H/Q in entry = 6 In of MODEL 13 1 H SER 7 H SER 7 -5.260 9.424 -6.070 2 HA SER 7 HA SER 7 -7.950 8.878 -6.298 3 HB2 SER 7 HB2 SER 7 -6.204 8.324 -7.982 4 HB3 SER 7 HB3 SER 7 -5.705 6.969 -6.972 5 HG SER 7 HG SER 7 -8.307 6.735 -7.270 No H/Q in entry = 5 In of MODEL 13 1 H SER 8 H SER 8 -5.835 7.688 -3.828 2 HA SER 8 HA SER 8 -7.618 5.432 -3.324 3 HB2 SER 8 HB2 SER 8 -4.958 6.032 -2.044 4 HB3 SER 8 HB3 SER 8 -5.931 4.573 -1.806 5 HG SER 8 HG SER 8 -5.026 5.425 -4.361 No H/Q in entry = 5 In of MODEL 13 1 H LEU 9 H LEU 9 -7.182 8.611 -2.131 2 HA LEU 9 HA LEU 9 -6.979 8.260 0.570 3 HB2 LEU 9 HB2 LEU 9 -8.290 10.497 -0.912 4 HB3 LEU 9 HB3 LEU 9 -7.751 10.559 0.758 5 HG LEU 9 HG LEU 9 -5.930 9.987 -1.563 6 HD11 LEU 9 HD11 LEU 9 -6.904 12.176 -1.759 7 HD12 LEU 9 HD12 LEU 9 -6.434 12.559 -0.103 8 HD13 LEU 9 HD13 LEU 9 -5.200 12.283 -1.333 9 HD21 LEU 9 HD21 LEU 9 -5.376 10.704 1.315 10 HD22 LEU 9 HD22 LEU 9 -5.141 9.118 0.573 11 HD23 LEU 9 HD23 LEU 9 -4.161 10.494 0.054 No H/Q in entry = 11 In of MODEL 13 1 H ASP 10 H ASP 10 -9.974 8.352 -1.208 2 HA ASP 10 HA ASP 10 -11.442 7.970 1.296 3 HB2 ASP 10 HB2 ASP 10 -12.278 8.701 -1.492 4 HB3 ASP 10 HB3 ASP 10 -13.459 8.127 -0.323 No H/Q in entry = 4 In of MODEL 13 1 H THR 11 H THR 11 -9.873 6.043 -0.750 2 HA THR 11 HA THR 11 -11.836 3.894 -0.409 3 HB THR 11 HB THR 11 -10.764 2.844 -2.472 4 HG1 THR 11 HG1 THR 11 -10.142 5.211 -3.612 5 HG21 THR 11 HG21 THR 11 -12.341 5.399 -2.790 6 HG22 THR 11 HG22 THR 11 -12.164 4.146 -4.018 7 HG23 THR 11 HG23 THR 11 -13.010 3.793 -2.511 No H/Q in entry = 7 In of MODEL 13 1 H HIS 12 H HIS 12 -8.743 3.322 -1.814 2 HA HIS 12 HA HIS 12 -8.152 1.290 0.008 3 HB2 HIS 12 HB2 HIS 12 -6.201 2.665 -1.823 4 HB3 HIS 12 HB3 HIS 12 -5.989 1.087 -1.079 5 HD1 HIS 12 HD1 HIS 12 -8.382 -0.460 -1.714 6 HD2 HIS 12 HD2 HIS 12 -6.866 2.321 -4.404 7 HE1 HIS 12 HE1 HIS 12 -9.302 -1.118 -3.962 8 HE2 HIS 12 HE2 HIS 12 -8.310 0.534 -5.594 No H/Q in entry = 8 In of MODEL 13 1 H LEU 13 H LEU 13 -7.241 4.691 0.063 2 HA LEU 13 HA LEU 13 -5.419 4.063 2.294 3 HB2 LEU 13 HB2 LEU 13 -5.393 6.340 0.338 4 HB3 LEU 13 HB3 LEU 13 -4.401 6.299 1.781 5 HG LEU 13 HG LEU 13 -4.271 4.353 -0.524 6 HD11 LEU 13 HD11 LEU 13 -3.315 6.562 -0.990 7 HD12 LEU 13 HD12 LEU 13 -2.297 6.413 0.442 8 HD13 LEU 13 HD13 LEU 13 -2.078 5.308 -0.916 9 HD21 LEU 13 HD21 LEU 13 -2.700 4.450 2.048 10 HD22 LEU 13 HD22 LEU 13 -3.809 3.179 1.534 11 HD23 LEU 13 HD23 LEU 13 -2.301 3.441 0.658 No H/Q in entry = 11 In of MODEL 13 1 H LYS 14 H LYS 14 -8.336 4.557 2.356 2 HA LYS 14 HA LYS 14 -8.740 7.138 3.496 3 HB2 LYS 14 HB2 LYS 14 -11.010 6.439 3.923 4 HB3 LYS 14 HB3 LYS 14 -10.531 5.985 2.301 5 HG2 LYS 14 HG2 LYS 14 -10.304 3.697 2.939 6 HG3 LYS 14 HG3 LYS 14 -10.544 4.099 4.641 7 HD2 LYS 14 HD2 LYS 14 -12.813 4.864 4.145 8 HD3 LYS 14 HD3 LYS 14 -12.572 4.479 2.440 9 HE2 LYS 14 HE2 LYS 14 -12.369 2.146 2.934 10 HE3 LYS 14 HE3 LYS 14 -12.383 2.465 4.669 11 HZ1 LYS 14 HZ1 LYS 14 -14.637 3.006 2.818 12 HZ2 LYS 14 HZ2 LYS 14 -14.529 1.678 3.858 13 HZ3 LYS 14 HZ3 LYS 14 -14.644 3.241 4.490 No H/Q in entry = 13 In of MODEL 13 1 H TRP 15 H TRP 15 -7.522 4.275 4.752 2 HA TRP 15 HA TRP 15 -8.390 4.614 7.460 3 HB2 TRP 15 HB2 TRP 15 -6.706 2.874 7.977 4 HB3 TRP 15 HB3 TRP 15 -7.771 2.394 6.658 5 HD1 TRP 15 HD1 TRP 15 -6.715 2.336 4.195 6 HE1 TRP 15 HE1 TRP 15 -4.282 2.097 3.382 7 HE3 TRP 15 HE3 TRP 15 -4.297 3.451 8.556 8 HZ2 TRP 15 HZ2 TRP 15 -1.683 2.346 4.461 9 HZ3 TRP 15 HZ3 TRP 15 -1.837 3.428 8.582 10 HH2 TRP 15 HH2 TRP 15 -0.558 2.886 6.575 No H/Q in entry = 10 In of MODEL 13 1 H LEU 16 H LEU 16 -6.209 6.203 5.482 2 HA LEU 16 HA LEU 16 -4.282 6.974 7.473 3 HB2 LEU 16 HB2 LEU 16 -5.006 8.235 4.815 4 HB3 LEU 16 HB3 LEU 16 -3.672 8.747 5.823 5 HG LEU 16 HG LEU 16 -3.868 5.996 4.584 6 HD11 LEU 16 HD11 LEU 16 -3.748 7.815 2.894 7 HD12 LEU 16 HD12 LEU 16 -2.252 8.365 3.650 8 HD13 LEU 16 HD13 LEU 16 -2.329 6.767 2.907 9 HD21 LEU 16 HD21 LEU 16 -1.595 7.484 5.900 10 HD22 LEU 16 HD22 LEU 16 -2.418 6.053 6.525 11 HD23 LEU 16 HD23 LEU 16 -1.442 5.941 5.058 No H/Q in entry = 11 In of MODEL 13 1 H SER 17 H SER 17 -4.220 8.861 8.592 2 HA SER 17 HA SER 17 -6.756 10.128 9.134 3 HB2 SER 17 HB2 SER 17 -5.051 9.624 10.913 4 HB3 SER 17 HB3 SER 17 -4.023 10.862 10.198 5 HG SER 17 HG SER 17 -5.933 11.184 11.973 No H/Q in entry = 5 In of MODEL 13 1 H GLN 18 H GLN 18 -7.016 12.551 9.003 2 HA GLN 18 HA GLN 18 -6.517 13.456 6.425 3 HB2 GLN 18 HB2 GLN 18 -8.230 14.429 7.946 4 HB3 GLN 18 HB3 GLN 18 -6.943 15.199 8.864 5 HG2 GLN 18 HG2 GLN 18 -8.002 16.764 7.335 6 HG3 GLN 18 HG3 GLN 18 -6.311 16.505 6.913 7 HE21 GLN 18 HE21 GLN 18 -9.612 15.926 6.007 8 HE22 GLN 18 HE22 GLN 18 -9.291 15.435 4.377 No H/Q in entry = 8 In of MODEL 13 1 H GLU 19 H GLU 19 -4.719 14.168 9.403 2 HA GLU 19 HA GLU 19 -2.865 15.909 8.287 3 HB2 GLU 19 HB2 GLU 19 -2.688 14.029 10.638 4 HB3 GLU 19 HB3 GLU 19 -1.474 15.220 10.253 5 HG2 GLU 19 HG2 GLU 19 -3.239 16.976 10.430 6 HG3 GLU 19 HG3 GLU 19 -4.320 15.721 11.030 No H/Q in entry = 6 In of MODEL 13 1 H GLN 20 H GLN 20 -2.978 12.387 8.389 2 HA GLN 20 HA GLN 20 -0.333 12.031 7.363 3 HB2 GLN 20 HB2 GLN 20 -2.705 10.140 7.332 4 HB3 GLN 20 HB3 GLN 20 -1.047 9.692 6.959 5 HG2 GLN 20 HG2 GLN 20 -0.372 10.230 9.230 6 HG3 GLN 20 HG3 GLN 20 -2.016 10.734 9.611 7 HE21 GLN 20 HE21 GLN 20 -0.377 8.658 10.826 8 HE22 GLN 20 HE22 GLN 20 -1.269 7.184 10.666 No H/Q in entry = 8 In of MODEL 13 1 H LYS 21 H LYS 21 -3.598 11.963 5.932 2 HA LYS 21 HA LYS 21 -2.867 11.458 3.286 3 HB2 LYS 21 HB2 LYS 21 -5.112 13.198 4.332 4 HB3 LYS 21 HB3 LYS 21 -4.965 12.655 2.666 5 HG2 LYS 21 HG2 LYS 21 -5.157 10.337 3.395 6 HG3 LYS 21 HG3 LYS 21 -5.281 10.872 5.073 7 HD2 LYS 21 HD2 LYS 21 -7.344 12.047 4.576 8 HD3 LYS 21 HD3 LYS 21 -7.205 11.618 2.869 9 HE2 LYS 21 HE2 LYS 21 -7.406 9.264 3.423 10 HE3 LYS 21 HE3 LYS 21 -7.475 9.653 5.143 11 HZ1 LYS 21 HZ1 LYS 21 -9.522 10.924 4.669 12 HZ2 LYS 21 HZ2 LYS 21 -9.473 10.376 3.073 13 HZ3 LYS 21 HZ3 LYS 21 -9.678 9.274 4.336 No H/Q in entry = 13 In of MODEL 13 1 H ASP 22 H ASP 22 -3.309 14.560 4.918 2 HA ASP 22 HA ASP 22 -2.472 16.241 2.822 3 HB2 ASP 22 HB2 ASP 22 -3.695 17.052 4.778 4 HB3 ASP 22 HB3 ASP 22 -2.366 16.594 5.831 No H/Q in entry = 4 In of MODEL 13 1 H GLU 23 H GLU 23 -0.605 14.521 5.337 2 HA GLU 23 HA GLU 23 1.896 15.620 4.734 3 HB2 GLU 23 HB2 GLU 23 0.978 13.888 6.586 4 HB3 GLU 23 HB3 GLU 23 1.758 12.763 5.477 5 HG2 GLU 23 HG2 GLU 23 3.814 13.921 5.654 6 HG3 GLU 23 HG3 GLU 23 3.053 15.201 6.586 No H/Q in entry = 6 In of MODEL 13 1 H LEU 24 H LEU 24 0.307 12.678 3.443 2 HA LEU 24 HA LEU 24 2.340 11.899 1.679 3 HB2 LEU 24 HB2 LEU 24 -0.647 11.527 1.672 4 HB3 LEU 24 HB3 LEU 24 0.352 10.875 0.394 5 HG LEU 24 HG LEU 24 -0.371 9.328 2.316 6 HD11 LEU 24 HD11 LEU 24 2.510 9.509 1.491 7 HD12 LEU 24 HD12 LEU 24 1.768 8.127 2.306 8 HD13 LEU 24 HD13 LEU 24 1.227 8.601 0.691 9 HD21 LEU 24 HD21 LEU 24 1.669 11.004 3.684 10 HD22 LEU 24 HD22 LEU 24 0.116 10.410 4.279 11 HD23 LEU 24 HD23 LEU 24 1.475 9.300 4.093 No H/Q in entry = 11 In of MODEL 13 1 H LEU 25 H LEU 25 -0.650 13.739 0.952 2 HA LEU 25 HA LEU 25 -0.181 14.551 -1.595 3 HB2 LEU 25 HB2 LEU 25 -1.529 15.818 0.749 4 HB3 LEU 25 HB3 LEU 25 -1.390 16.715 -0.750 5 HG LEU 25 HG LEU 25 -2.540 14.874 -1.905 6 HD11 LEU 25 HD11 LEU 25 -2.016 13.035 -0.470 7 HD12 LEU 25 HD12 LEU 25 -2.981 13.750 0.821 8 HD13 LEU 25 HD13 LEU 25 -3.759 13.200 -0.660 9 HD21 LEU 25 HD21 LEU 25 -4.025 16.109 0.389 10 HD22 LEU 25 HD22 LEU 25 -3.802 16.806 -1.213 11 HD23 LEU 25 HD23 LEU 25 -4.782 15.355 -1.015 No H/Q in entry = 11 In of MODEL 13 1 H LYS 26 H LYS 26 1.123 15.997 1.358 2 HA LYS 26 HA LYS 26 2.287 18.276 0.191 3 HB2 LYS 26 HB2 LYS 26 1.913 17.835 2.645 4 HB3 LYS 26 HB3 LYS 26 3.299 16.760 2.597 5 HG2 LYS 26 HG2 LYS 26 3.914 18.936 3.471 6 HG3 LYS 26 HG3 LYS 26 4.731 18.625 1.938 7 HD2 LYS 26 HD2 LYS 26 3.231 20.057 0.761 8 HD3 LYS 26 HD3 LYS 26 2.175 20.202 2.166 9 HE2 LYS 26 HE2 LYS 26 5.023 21.184 2.041 10 HE3 LYS 26 HE3 LYS 26 3.601 22.194 1.797 11 HZ1 LYS 26 HZ1 LYS 26 2.877 21.594 4.054 12 HZ2 LYS 26 HZ2 LYS 26 4.318 20.731 4.279 13 HZ3 LYS 26 HZ3 LYS 26 4.360 22.404 4.048 No H/Q in entry = 13 In of MODEL 13 1 H MET 27 H MET 27 3.659 15.104 0.988 2 HA MET 27 HA MET 27 6.170 15.537 -0.092 3 HB2 MET 27 HB2 MET 27 4.617 12.969 0.170 4 HB3 MET 27 HB3 MET 27 6.320 13.050 -0.258 5 HG2 MET 27 HG2 MET 27 6.303 14.538 1.997 6 HG3 MET 27 HG3 MET 27 4.999 13.404 2.342 7 HE1 MET 27 HE1 MET 27 5.364 10.697 2.064 8 HE2 MET 27 HE2 MET 27 6.169 10.920 0.511 9 HE3 MET 27 HE3 MET 27 6.946 9.968 1.777 No H/Q in entry = 9 In of MODEL 13 1 H LYS 28 H LYS 28 3.344 14.033 -1.737 2 HA LYS 28 HA LYS 28 4.628 13.518 -4.161 3 HB2 LYS 28 HB2 LYS 28 2.521 12.515 -3.768 4 HB3 LYS 28 HB3 LYS 28 1.754 14.065 -3.455 5 HG2 LYS 28 HG2 LYS 28 1.944 14.680 -5.781 6 HG3 LYS 28 HG3 LYS 28 2.833 13.196 -6.129 7 HD2 LYS 28 HD2 LYS 28 0.083 13.125 -4.937 8 HD3 LYS 28 HD3 LYS 28 0.323 13.273 -6.677 9 HE2 LYS 28 HE2 LYS 28 1.464 11.071 -4.964 10 HE3 LYS 28 HE3 LYS 28 -0.015 10.938 -5.913 11 HZ1 LYS 28 HZ1 LYS 28 1.315 11.426 -7.906 12 HZ2 LYS 28 HZ2 LYS 28 2.719 11.413 -6.965 13 HZ3 LYS 28 HZ3 LYS 28 1.800 10.001 -7.135 No H/Q in entry = 13 In of MODEL 13 1 H LYS 29 H LYS 29 2.878 16.418 -3.090 2 HA LYS 29 HA LYS 29 3.258 17.790 -5.553 3 HB2 LYS 29 HB2 LYS 29 2.419 18.701 -2.812 4 HB3 LYS 29 HB3 LYS 29 2.612 19.829 -4.147 5 HG2 LYS 29 HG2 LYS 29 0.758 17.454 -4.148 6 HG3 LYS 29 HG3 LYS 29 0.281 19.121 -3.818 7 HD2 LYS 29 HD2 LYS 29 1.169 19.730 -6.080 8 HD3 LYS 29 HD3 LYS 29 1.396 18.008 -6.391 9 HE2 LYS 29 HE2 LYS 29 -1.230 19.325 -5.709 10 HE3 LYS 29 HE3 LYS 29 -0.712 18.878 -7.334 11 HZ1 LYS 29 HZ1 LYS 29 -1.092 16.980 -5.086 12 HZ2 LYS 29 HZ2 LYS 29 -2.200 17.238 -6.336 13 HZ3 LYS 29 HZ3 LYS 29 -0.681 16.579 -6.674 No H/Q in entry = 13 In of MODEL 13 1 H ASP 30 H ASP 30 5.282 17.313 -2.824 2 HA ASP 30 HA ASP 30 6.911 19.633 -3.439 3 HB2 ASP 30 HB2 ASP 30 6.536 19.035 -1.078 4 HB3 ASP 30 HB3 ASP 30 7.256 17.455 -1.350 No H/Q in entry = 4 In of MODEL 13 1 H GLY 31 H GLY 31 6.591 16.590 -4.592 2 HA2 GLY 31 HA2 GLY 31 9.120 16.864 -6.013 3 HA3 GLY 31 HA3 GLY 31 7.771 15.840 -6.477 No H/Q in entry = 3 In of MODEL 13 1 H LYS 32 H LYS 32 7.721 14.931 -3.565 2 HA LYS 32 HA LYS 32 10.041 13.321 -3.265 3 HB2 LYS 32 HB2 LYS 32 7.268 13.094 -2.082 4 HB3 LYS 32 HB3 LYS 32 8.612 12.055 -1.631 5 HG2 LYS 32 HG2 LYS 32 8.651 15.054 -1.359 6 HG3 LYS 32 HG3 LYS 32 8.183 13.950 -0.065 7 HD2 LYS 32 HD2 LYS 32 10.401 12.875 -0.229 8 HD3 LYS 32 HD3 LYS 32 10.856 14.056 -1.456 9 HE2 LYS 32 HE2 LYS 32 9.923 14.860 1.285 10 HE3 LYS 32 HE3 LYS 32 11.611 14.512 0.932 11 HZ1 LYS 32 HZ1 LYS 32 9.973 16.597 -0.415 12 HZ2 LYS 32 HZ2 LYS 32 11.121 16.876 0.793 13 HZ3 LYS 32 HZ3 LYS 32 11.607 16.270 -0.706 No H/Q in entry = 13 In of MODEL 13 1 H ALA 33 H ALA 33 10.282 11.168 -3.747 2 HA ALA 33 HA ALA 33 9.113 10.405 -6.250 3 HB1 ALA 33 HB1 ALA 33 11.466 9.922 -5.660 4 HB2 ALA 33 HB2 ALA 33 10.900 8.761 -4.462 5 HB3 ALA 33 HB3 ALA 33 10.577 8.491 -6.174 No H/Q in entry = 5 In of MODEL 13 1 H LYS 34 H LYS 34 8.037 8.319 -6.658 2 HA LYS 34 HA LYS 34 5.836 7.885 -4.979 3 HB2 LYS 34 HB2 LYS 34 7.027 5.861 -6.892 4 HB3 LYS 34 HB3 LYS 34 5.372 5.903 -6.307 5 HG2 LYS 34 HG2 LYS 34 5.010 8.012 -7.502 6 HG3 LYS 34 HG3 LYS 34 6.666 7.938 -8.108 7 HD2 LYS 34 HD2 LYS 34 6.083 5.707 -9.116 8 HD3 LYS 34 HD3 LYS 34 4.404 6.035 -8.687 9 HE2 LYS 34 HE2 LYS 34 4.743 6.656 -10.979 10 HE3 LYS 34 HE3 LYS 34 4.526 8.121 -10.025 11 HZ1 LYS 34 HZ1 LYS 34 6.948 8.381 -9.998 12 HZ2 LYS 34 HZ2 LYS 34 7.111 7.019 -10.982 13 HZ3 LYS 34 HZ3 LYS 34 6.331 8.396 -11.570 No H/Q in entry = 13 In of MODEL 13 1 H LYS 35 H LYS 35 8.978 6.340 -5.163 2 HA LYS 35 HA LYS 35 8.536 4.202 -3.416 3 HB2 LYS 35 HB2 LYS 35 10.531 4.611 -4.926 4 HB3 LYS 35 HB3 LYS 35 11.120 5.732 -3.711 5 HG2 LYS 35 HG2 LYS 35 12.247 3.718 -3.314 6 HG3 LYS 35 HG3 LYS 35 11.002 3.816 -2.069 7 HD2 LYS 35 HD2 LYS 35 11.070 1.571 -2.944 8 HD3 LYS 35 HD3 LYS 35 9.567 2.340 -3.453 9 HE2 LYS 35 HE2 LYS 35 10.594 1.067 -5.278 10 HE3 LYS 35 HE3 LYS 35 10.521 2.789 -5.649 11 HZ1 LYS 35 HZ1 LYS 35 12.930 1.405 -4.602 12 HZ2 LYS 35 HZ2 LYS 35 12.659 1.745 -6.235 13 HZ3 LYS 35 HZ3 LYS 35 12.835 3.009 -5.130 No H/Q in entry = 13 In of MODEL 13 1 H GLU 36 H GLU 36 8.758 7.586 -2.750 2 HA GLU 36 HA GLU 36 9.538 7.184 0.025 3 HB2 GLU 36 HB2 GLU 36 8.886 9.760 -1.408 4 HB3 GLU 36 HB3 GLU 36 9.690 9.587 0.148 5 HG2 GLU 36 HG2 GLU 36 11.520 8.370 -1.008 6 HG3 GLU 36 HG3 GLU 36 10.741 8.753 -2.528 No H/Q in entry = 6 In of MODEL 13 1 H LEU 37 H LEU 37 6.841 7.987 -1.962 2 HA LEU 37 HA LEU 37 4.971 8.438 0.135 3 HB2 LEU 37 HB2 LEU 37 4.548 7.505 -2.706 4 HB3 LEU 37 HB3 LEU 37 3.279 8.054 -1.628 5 HG LEU 37 HG LEU 37 5.596 9.807 -2.418 6 HD11 LEU 37 HD11 LEU 37 2.886 9.572 -3.706 7 HD12 LEU 37 HD12 LEU 37 4.064 10.846 -4.028 8 HD13 LEU 37 HD13 LEU 37 4.440 9.172 -4.435 9 HD21 LEU 37 HD21 LEU 37 4.383 10.440 -0.393 10 HD22 LEU 37 HD22 LEU 37 4.111 11.596 -1.696 11 HD23 LEU 37 HD23 LEU 37 2.867 10.415 -1.292 No H/Q in entry = 11 In of MODEL 13 1 H GLU 38 H GLU 38 5.931 5.638 -1.761 2 HA GLU 38 HA GLU 38 4.234 3.743 -0.537 3 HB2 GLU 38 HB2 GLU 38 5.626 3.543 -2.698 4 HB3 GLU 38 HB3 GLU 38 6.969 3.128 -1.642 5 HG2 GLU 38 HG2 GLU 38 5.899 1.142 -2.534 6 HG3 GLU 38 HG3 GLU 38 5.722 1.226 -0.781 No H/Q in entry = 6 In of MODEL 13 1 H ALA 39 H ALA 39 6.931 5.433 0.573 2 HA ALA 39 HA ALA 39 7.719 3.447 2.535 3 HB1 ALA 39 HB1 ALA 39 8.804 6.219 2.071 4 HB2 ALA 39 HB2 ALA 39 9.504 4.980 3.113 5 HB3 ALA 39 HB3 ALA 39 9.442 4.733 1.368 No H/Q in entry = 5 In of MODEL 13 1 H LYS 40 H LYS 40 6.375 6.704 2.481 2 HA LYS 40 HA LYS 40 6.042 7.137 5.195 3 HB2 LYS 40 HB2 LYS 40 5.713 8.833 3.446 4 HB3 LYS 40 HB3 LYS 40 4.255 8.003 2.918 5 HG2 LYS 40 HG2 LYS 40 3.639 9.884 4.251 6 HG3 LYS 40 HG3 LYS 40 3.267 8.408 5.143 7 HD2 LYS 40 HD2 LYS 40 4.249 9.871 6.705 8 HD3 LYS 40 HD3 LYS 40 5.503 8.710 6.293 9 HE2 LYS 40 HE2 LYS 40 6.620 10.266 4.902 10 HE3 LYS 40 HE3 LYS 40 5.254 11.382 4.937 11 HZ1 LYS 40 HZ1 LYS 40 6.931 10.664 7.277 12 HZ2 LYS 40 HZ2 LYS 40 7.062 12.095 6.385 13 HZ3 LYS 40 HZ3 LYS 40 5.651 11.777 7.267 No H/Q in entry = 13 In of MODEL 13 1 H ILE 41 H ILE 41 3.743 5.670 2.888 2 HA ILE 41 HA ILE 41 1.692 5.180 4.723 3 HB ILE 41 HB ILE 41 2.406 3.665 2.209 4 HG12 ILE 41 HG12 ILE 41 0.414 5.896 2.647 5 HG13 ILE 41 HG13 ILE 41 2.015 6.112 1.948 6 HG21 ILE 41 HG21 ILE 41 -0.171 3.743 3.765 7 HG22 ILE 41 HG22 ILE 41 0.058 2.961 2.202 8 HG23 ILE 41 HG23 ILE 41 0.920 2.367 3.621 9 HD11 ILE 41 HD11 ILE 41 -0.171 4.403 0.801 10 HD12 ILE 41 HD12 ILE 41 0.276 6.016 0.251 11 HD13 ILE 41 HD13 ILE 41 1.421 4.684 0.092 No H/Q in entry = 11 In of MODEL 13 1 H LEU 42 H LEU 42 4.377 3.114 3.652 2 HA LEU 42 HA LEU 42 3.650 0.845 5.148 3 HB2 LEU 42 HB2 LEU 42 6.323 1.765 4.132 4 HB3 LEU 42 HB3 LEU 42 6.076 0.224 4.922 5 HG LEU 42 HG LEU 42 4.951 1.127 2.281 6 HD11 LEU 42 HD11 LEU 42 6.833 -1.082 3.078 7 HD12 LEU 42 HD12 LEU 42 6.234 -0.786 1.448 8 HD13 LEU 42 HD13 LEU 42 7.260 0.408 2.239 9 HD21 LEU 42 HD21 LEU 42 4.335 -1.351 3.889 10 HD22 LEU 42 HD22 LEU 42 3.201 -0.116 3.348 11 HD23 LEU 42 HD23 LEU 42 3.977 -1.173 2.172 No H/Q in entry = 11 In of MODEL 13 1 H HIS 43 H HIS 43 5.469 3.713 5.968 2 HA HIS 43 HA HIS 43 6.456 2.799 8.466 3 HB2 HIS 43 HB2 HIS 43 7.236 4.861 7.205 4 HB3 HIS 43 HB3 HIS 43 5.767 5.659 7.755 5 HD1 HIS 43 HD1 HIS 43 6.016 6.931 9.866 6 HD2 HIS 43 HD2 HIS 43 8.833 3.892 9.542 7 HE1 HIS 43 HE1 HIS 43 7.496 7.162 11.882 8 HE2 HIS 43 HE2 HIS 43 9.261 5.391 11.608 No H/Q in entry = 8 In of MODEL 13 1 H TYR 44 H TYR 44 3.580 4.754 7.595 2 HA TYR 44 HA TYR 44 2.339 4.865 10.085 3 HB2 TYR 44 HB2 TYR 44 1.148 4.602 7.321 4 HB3 TYR 44 HB3 TYR 44 0.197 4.935 8.758 5 HD1 TYR 44 HD1 TYR 44 2.157 6.816 10.093 6 HD2 TYR 44 HD2 TYR 44 0.736 6.546 6.106 7 HE1 TYR 44 HE1 TYR 44 2.526 9.218 9.813 8 HE2 TYR 44 HE2 TYR 44 1.094 8.951 5.801 9 HH TYR 44 HH TYR 44 2.915 10.840 7.872 No H/Q in entry = 9 In of MODEL 13 1 H TYR 45 H TYR 45 2.222 2.454 7.570 2 HA TYR 45 HA TYR 45 0.257 0.765 8.543 3 HB2 TYR 45 HB2 TYR 45 1.011 0.683 6.272 4 HB3 TYR 45 HB3 TYR 45 2.654 0.316 6.774 5 HD1 TYR 45 HD1 TYR 45 -0.779 -1.112 7.038 6 HD2 TYR 45 HD2 TYR 45 3.387 -1.803 6.623 7 HE1 TYR 45 HE1 TYR 45 -1.215 -3.511 6.751 8 HE2 TYR 45 HE2 TYR 45 2.977 -4.197 6.340 9 HH TYR 45 HH TYR 45 -0.270 -5.487 6.041 No H/Q in entry = 9 In of MODEL 13 1 H ASP 46 H ASP 46 3.774 0.673 9.090 2 HA ASP 46 HA ASP 46 3.574 -1.851 10.422 3 HB2 ASP 46 HB2 ASP 46 5.601 -1.167 9.138 4 HB3 ASP 46 HB3 ASP 46 5.912 0.075 10.342 No H/Q in entry = 4 In of MODEL 13 1 H GLU 47 H GLU 47 3.175 1.383 11.505 2 HA GLU 47 HA GLU 47 3.683 0.569 14.257 3 HB2 GLU 47 HB2 GLU 47 3.401 2.969 14.795 4 HB3 GLU 47 HB3 GLU 47 4.713 2.634 13.681 5 HG2 GLU 47 HG2 GLU 47 3.222 3.293 11.818 6 HG3 GLU 47 HG3 GLU 47 2.008 3.758 13.010 No H/Q in entry = 6 In of MODEL 13 1 H LEU 48 H LEU 48 1.252 -0.004 12.376 2 HA LEU 48 HA LEU 48 -0.991 1.317 13.429 3 HB2 LEU 48 HB2 LEU 48 -0.522 -1.119 11.766 4 HB3 LEU 48 HB3 LEU 48 -2.140 -0.722 12.280 5 HG LEU 48 HG LEU 48 -0.354 1.058 10.638 6 HD11 LEU 48 HD11 LEU 48 -1.124 -0.903 9.412 7 HD12 LEU 48 HD12 LEU 48 -2.787 -0.554 9.884 8 HD13 LEU 48 HD13 LEU 48 -1.917 0.560 8.831 9 HD21 LEU 48 HD21 LEU 48 -3.210 1.357 11.545 10 HD22 LEU 48 HD22 LEU 48 -1.838 2.356 12.023 11 HD23 LEU 48 HD23 LEU 48 -2.414 2.389 10.358 No H/Q in entry = 11 In of MODEL 13 1 H GLU 49 H GLU 49 -2.732 -0.811 13.806 2 HA GLU 49 HA GLU 49 -2.056 -1.725 16.505 3 HB2 GLU 49 HB2 GLU 49 -4.611 -0.350 15.635 4 HB3 GLU 49 HB3 GLU 49 -4.405 -1.159 17.180 5 HG2 GLU 49 HG2 GLU 49 -2.764 1.180 16.241 6 HG3 GLU 49 HG3 GLU 49 -4.164 1.293 17.304 No H/Q in entry = 6 In of MODEL 13 1 H GLY 50 H GLY 50 -4.259 -3.151 17.154 2 HA2 GLY 50 HA2 GLY 50 -5.333 -5.152 16.789 3 HA3 GLY 50 HA3 GLY 50 -3.946 -5.543 15.791 No H/Q in entry = 3 In of MODEL 13 1 H ASP 51 H ASP 51 -7.128 -3.977 15.722 2 HA ASP 51 HA ASP 51 -7.812 -5.218 13.236 3 HB2 ASP 51 HB2 ASP 51 -9.125 -3.149 14.980 4 HB3 ASP 51 HB3 ASP 51 -9.751 -3.469 13.367 No H/Q in entry = 4 In of MODEL 13 1 H ALA 52 H ALA 52 -6.341 -2.180 14.105 2 HA ALA 52 HA ALA 52 -6.936 -0.773 11.718 3 HB1 ALA 52 HB1 ALA 52 -4.518 -0.485 13.509 4 HB2 ALA 52 HB2 ALA 52 -5.069 0.683 12.311 5 HB3 ALA 52 HB3 ALA 52 -6.060 0.338 13.727 No H/Q in entry = 5 In of MODEL 13 1 H LYS 53 H LYS 53 -4.235 -2.864 12.655 2 HA LYS 53 HA LYS 53 -2.717 -2.669 10.319 3 HB2 LYS 53 HB2 LYS 53 -2.750 -4.258 12.695 4 HB3 LYS 53 HB3 LYS 53 -2.576 -5.330 11.322 5 HG2 LYS 53 HG2 LYS 53 -0.811 -2.962 11.874 6 HG3 LYS 53 HG3 LYS 53 -0.432 -4.623 12.317 7 HD2 LYS 53 HD2 LYS 53 -0.559 -5.250 9.932 8 HD3 LYS 53 HD3 LYS 53 -0.843 -3.558 9.526 9 HE2 LYS 53 HE2 LYS 53 1.498 -4.135 9.201 10 HE3 LYS 53 HE3 LYS 53 1.322 -2.960 10.504 11 HZ1 LYS 53 HZ1 LYS 53 1.640 -5.884 10.903 12 HZ2 LYS 53 HZ2 LYS 53 2.891 -4.758 11.030 13 HZ3 LYS 53 HZ3 LYS 53 1.594 -4.707 12.114 No H/Q in entry = 13 In of MODEL 13 1 H LYS 54 H LYS 54 -5.052 -5.170 11.290 2 HA LYS 54 HA LYS 54 -5.052 -6.641 8.947 3 HB2 LYS 54 HB2 LYS 54 -6.560 -7.887 9.986 4 HB3 LYS 54 HB3 LYS 54 -6.372 -6.787 11.340 5 HG2 LYS 54 HG2 LYS 54 -8.327 -5.619 10.812 6 HG3 LYS 54 HG3 LYS 54 -8.395 -6.297 9.177 7 HD2 LYS 54 HD2 LYS 54 -8.749 -8.519 10.150 8 HD3 LYS 54 HD3 LYS 54 -8.751 -7.803 11.761 9 HE2 LYS 54 HE2 LYS 54 -11.029 -8.147 11.069 10 HE3 LYS 54 HE3 LYS 54 -10.695 -6.418 11.097 11 HZ1 LYS 54 HZ1 LYS 54 -10.561 -8.058 8.631 12 HZ2 LYS 54 HZ2 LYS 54 -11.951 -7.231 9.117 13 HZ3 LYS 54 HZ3 LYS 54 -10.545 -6.365 8.747 No H/Q in entry = 13 In of MODEL 13 1 H GLU 55 H GLU 55 -7.132 -3.867 9.809 2 HA GLU 55 HA GLU 55 -8.614 -3.962 7.422 3 HB2 GLU 55 HB2 GLU 55 -8.174 -1.942 9.592 4 HB3 GLU 55 HB3 GLU 55 -9.135 -1.529 8.188 5 HG2 GLU 55 HG2 GLU 55 -9.640 -3.789 10.103 6 HG3 GLU 55 HG3 GLU 55 -10.543 -2.285 9.993 No H/Q in entry = 6 In of MODEL 13 1 H ALA 56 H ALA 56 -5.830 -1.928 8.397 2 HA ALA 56 HA ALA 56 -5.726 -0.534 5.985 3 HB1 ALA 56 HB1 ALA 56 -3.383 -0.042 6.528 4 HB2 ALA 56 HB2 ALA 56 -3.410 -1.291 7.772 5 HB3 ALA 56 HB3 ALA 56 -4.421 0.143 7.943 No H/Q in entry = 5 In of MODEL 13 1 H THR 57 H THR 57 -4.042 -3.501 6.984 2 HA THR 57 HA THR 57 -2.603 -4.015 4.697 3 HB THR 57 HB THR 57 -3.973 -6.057 6.457 4 HG1 THR 57 HG1 THR 57 -2.654 -4.865 7.758 5 HG21 THR 57 HG21 THR 57 -1.601 -6.283 4.607 6 HG22 THR 57 HG22 THR 57 -2.144 -7.539 5.725 7 HG23 THR 57 HG23 THR 57 -3.181 -7.033 4.391 No H/Q in entry = 7 In of MODEL 13 1 H GLU 58 H GLU 58 -5.914 -4.969 5.461 2 HA GLU 58 HA GLU 58 -6.490 -6.323 3.052 3 HB2 GLU 58 HB2 GLU 58 -8.228 -5.029 5.148 4 HB3 GLU 58 HB3 GLU 58 -8.897 -5.863 3.749 5 HG2 GLU 58 HG2 GLU 58 -7.172 -7.028 5.919 6 HG3 GLU 58 HG3 GLU 58 -8.883 -7.332 5.639 No H/Q in entry = 6 In of MODEL 13 1 H HIS 59 H HIS 59 -6.581 -2.907 3.903 2 HA HIS 59 HA HIS 59 -8.103 -2.127 1.602 3 HB2 HIS 59 HB2 HIS 59 -6.430 -0.622 3.599 4 HB3 HIS 59 HB3 HIS 59 -7.039 0.178 2.155 5 HD1 HIS 59 HD1 HIS 59 -9.851 -0.452 1.926 6 HD2 HIS 59 HD2 HIS 59 -8.071 -0.092 5.664 7 HE1 HIS 59 HE1 HIS 59 -11.725 0.033 3.526 8 HE2 HIS 59 HE2 HIS 59 -10.606 0.415 5.745 No H/Q in entry = 8 In of MODEL 13 1 H LEU 60 H LEU 60 -4.676 -1.835 2.490 2 HA LEU 60 HA LEU 60 -3.645 -1.116 0.065 3 HB2 LEU 60 HB2 LEU 60 -2.568 -2.701 2.364 4 HB3 LEU 60 HB3 LEU 60 -1.596 -2.418 0.934 5 HG LEU 60 HG LEU 60 -1.931 0.004 1.260 6 HD11 LEU 60 HD11 LEU 60 -3.963 -0.030 2.509 7 HD12 LEU 60 HD12 LEU 60 -3.117 -0.754 3.881 8 HD13 LEU 60 HD13 LEU 60 -2.706 0.879 3.351 9 HD21 LEU 60 HD21 LEU 60 0.113 -1.073 2.027 10 HD22 LEU 60 HD22 LEU 60 -0.347 0.242 3.108 11 HD23 LEU 60 HD23 LEU 60 -0.658 -1.431 3.574 No H/Q in entry = 11 In of MODEL 13 1 H LYS 61 H LYS 61 -4.676 -4.319 1.168 2 HA LYS 61 HA LYS 61 -3.526 -5.783 -0.952 3 HB2 LYS 61 HB2 LYS 61 -5.794 -6.310 0.936 4 HB3 LYS 61 HB3 LYS 61 -5.512 -7.388 -0.422 5 HG2 LYS 61 HG2 LYS 61 -3.262 -7.843 0.384 6 HG3 LYS 61 HG3 LYS 61 -3.510 -6.725 1.729 7 HD2 LYS 61 HD2 LYS 61 -5.350 -8.115 2.543 8 HD3 LYS 61 HD3 LYS 61 -5.107 -9.228 1.199 9 HE2 LYS 61 HE2 LYS 61 -2.946 -9.847 2.019 10 HE3 LYS 61 HE3 LYS 61 -2.998 -8.588 3.251 11 HZ1 LYS 61 HZ1 LYS 61 -4.969 -9.759 4.187 12 HZ2 LYS 61 HZ2 LYS 61 -4.672 -11.030 3.111 13 HZ3 LYS 61 HZ3 LYS 61 -3.521 -10.638 4.291 No H/Q in entry = 13 In of MODEL 13 1 H GLY 62 H GLY 62 -6.857 -4.540 -0.522 2 HA2 GLY 62 HA2 GLY 62 -8.368 -3.793 -2.081 3 HA3 GLY 62 HA3 GLY 62 -7.812 -5.133 -3.076 No H/Q in entry = 3 In of MODEL 13 1 H GLY 63 H GLY 63 -5.954 -2.331 -1.941 2 HA2 GLY 63 HA2 GLY 63 -4.620 -0.869 -3.109 3 HA3 GLY 63 HA3 GLY 63 -5.861 -0.906 -4.357 No H/Q in entry = 3 In of MODEL 13 1 H CYS 64 H CYS 64 -3.711 -3.395 -3.087 2 HA CYS 64 HA CYS 64 -1.997 -3.586 -5.309 3 HB2 CYS 64 HB2 CYS 64 -1.481 -4.526 -3.092 4 HB3 CYS 64 HB3 CYS 64 -2.788 -5.684 -3.279 No H/Q in entry = 4 In of MODEL 13 1 H ARG 65 H ARG 65 -5.146 -4.883 -4.638 2 HA ARG 65 HA ARG 65 -5.165 -6.889 -6.643 3 HB2 ARG 65 HB2 ARG 65 -6.686 -6.726 -4.614 4 HB3 ARG 65 HB3 ARG 65 -7.571 -5.482 -5.486 5 HG2 ARG 65 HG2 ARG 65 -8.037 -7.100 -7.277 6 HG3 ARG 65 HG3 ARG 65 -7.202 -8.343 -6.344 7 HD2 ARG 65 HD2 ARG 65 -9.654 -6.821 -5.468 8 HD3 ARG 65 HD3 ARG 65 -9.627 -8.479 -6.065 9 HE ARG 65 HE ARG 65 -7.888 -8.345 -3.898 10 HH11 ARG 65 HH11 ARG 65 -11.307 -7.991 -4.548 11 HH12 ARG 65 HH12 ARG 65 -11.792 -8.524 -2.970 12 HH21 ARG 65 HH21 ARG 65 -8.531 -9.047 -1.804 13 HH22 ARG 65 HH22 ARG 65 -10.217 -9.135 -1.419 No H/Q in entry = 13 In of MODEL 13 1 H GLU 66 H GLU 66 -5.653 -3.453 -6.672 2 HA GLU 66 HA GLU 66 -6.766 -3.547 -9.359 3 HB2 GLU 66 HB2 GLU 66 -6.056 -1.173 -7.627 4 HB3 GLU 66 HB3 GLU 66 -6.811 -1.079 -9.212 5 HG2 GLU 66 HG2 GLU 66 -8.630 -2.588 -8.161 6 HG3 GLU 66 HG3 GLU 66 -7.953 -2.040 -6.628 No H/Q in entry = 6 In of MODEL 13 1 H ILE 67 H ILE 67 -3.789 -2.661 -7.676 2 HA ILE 67 HA ILE 67 -2.549 -1.765 -10.119 3 HB ILE 67 HB ILE 67 -1.295 -2.269 -7.421 4 HG12 ILE 67 HG12 ILE 67 -2.028 0.359 -8.732 5 HG13 ILE 67 HG13 ILE 67 -3.016 -0.443 -7.512 6 HG21 ILE 67 HG21 ILE 67 0.316 -2.454 -9.286 7 HG22 ILE 67 HG22 ILE 67 -0.163 -0.838 -9.831 8 HG23 ILE 67 HG23 ILE 67 0.629 -1.038 -8.269 9 HD11 ILE 67 HD11 ILE 67 -1.169 -0.256 -5.916 10 HD12 ILE 67 HD12 ILE 67 -0.211 0.580 -7.136 11 HD13 ILE 67 HD13 ILE 67 -1.689 1.318 -6.521 No H/Q in entry = 11 In of MODEL 13 1 H LEU 68 H LEU 68 -1.490 -4.239 -7.775 2 HA LEU 68 HA LEU 68 0.452 -5.193 -9.599 3 HB2 LEU 68 HB2 LEU 68 0.639 -5.306 -7.105 4 HB3 LEU 68 HB3 LEU 68 -0.557 -6.588 -7.125 5 HG LEU 68 HG LEU 68 1.088 -7.788 -8.735 6 HD11 LEU 68 HD11 LEU 68 2.942 -5.821 -7.403 7 HD12 LEU 68 HD12 LEU 68 3.435 -7.218 -8.357 8 HD13 LEU 68 HD13 LEU 68 2.557 -5.896 -9.122 9 HD21 LEU 68 HD21 LEU 68 1.731 -7.444 -5.810 10 HD22 LEU 68 HD22 LEU 68 0.564 -8.576 -6.496 11 HD23 LEU 68 HD23 LEU 68 2.284 -8.767 -6.837 No H/Q in entry = 11 In of MODEL 13 1 H LYS 69 H LYS 69 -2.596 -6.570 -8.396 2 HA LYS 69 HA LYS 69 -2.577 -8.976 -9.697 3 HB2 LYS 69 HB2 LYS 69 -4.393 -8.161 -8.202 4 HB3 LYS 69 HB3 LYS 69 -4.954 -7.110 -9.490 5 HG2 LYS 69 HG2 LYS 69 -5.224 -9.223 -10.884 6 HG3 LYS 69 HG3 LYS 69 -4.995 -10.096 -9.370 7 HD2 LYS 69 HD2 LYS 69 -7.323 -9.916 -9.624 8 HD3 LYS 69 HD3 LYS 69 -6.892 -8.679 -8.443 9 HE2 LYS 69 HE2 LYS 69 -6.889 -6.998 -10.250 10 HE3 LYS 69 HE3 LYS 69 -7.390 -8.248 -11.387 11 HZ1 LYS 69 HZ1 LYS 69 -9.399 -8.562 -10.028 12 HZ2 LYS 69 HZ2 LYS 69 -8.932 -7.271 -9.043 13 HZ3 LYS 69 HZ3 LYS 69 -9.290 -7.006 -10.676 No H/Q in entry = 13 In of MODEL 13 1 H HIS 70 H HIS 70 -4.676 -6.509 -11.194 2 HA HIS 70 HA HIS 70 -4.459 -6.815 -13.764 3 HB2 HIS 70 HB2 HIS 70 -5.620 -4.928 -13.324 4 HB3 HIS 70 HB3 HIS 70 -4.544 -4.445 -12.027 5 HD1 HIS 70 HD1 HIS 70 -5.422 -3.715 -15.499 6 HD2 HIS 70 HD2 HIS 70 -2.188 -2.975 -12.978 7 HE1 HIS 70 HE1 HIS 70 -4.139 -1.836 -16.570 8 HE2 HIS 70 HE2 HIS 70 -2.115 -1.512 -15.109 No H/Q in entry = 8 In of MODEL 13 1 H VAL 71 H VAL 71 -1.612 -5.745 -11.933 2 HA VAL 71 HA VAL 71 -0.321 -4.667 -14.222 3 HB VAL 71 HB VAL 71 -0.049 -4.257 -11.582 4 HG11 VAL 71 HG11 VAL 71 1.234 -6.328 -11.267 5 HG12 VAL 71 HG12 VAL 71 2.475 -5.671 -12.338 6 HG13 VAL 71 HG13 VAL 71 2.097 -4.854 -10.814 7 HG21 VAL 71 HG21 VAL 71 1.946 -3.665 -13.723 8 HG22 VAL 71 HG22 VAL 71 0.511 -2.724 -13.315 9 HG23 VAL 71 HG23 VAL 71 1.840 -2.855 -12.161 No H/Q in entry = 9 In of MODEL 13 1 H VAL 72 H VAL 72 0.232 -7.729 -12.424 2 HA VAL 72 HA VAL 72 1.663 -8.780 -14.713 3 HB VAL 72 HB VAL 72 1.893 -9.736 -12.370 4 HG11 VAL 72 HG11 VAL 72 -0.809 -10.902 -12.973 5 HG12 VAL 72 HG12 VAL 72 0.248 -11.426 -11.661 6 HG13 VAL 72 HG13 VAL 72 -0.401 -9.786 -11.670 7 HG21 VAL 72 HG21 VAL 72 1.172 -11.612 -14.592 8 HG22 VAL 72 HG22 VAL 72 2.753 -10.893 -14.287 9 HG23 VAL 72 HG23 VAL 72 2.076 -12.048 -13.139 No H/Q in entry = 9 In of MODEL 13 1 H GLY 73 H GLY 73 -1.652 -8.489 -13.621 2 HA2 GLY 73 HA2 GLY 73 -2.483 -9.768 -16.150 3 HA3 GLY 73 HA3 GLY 73 -3.257 -8.331 -15.498 No H/Q in entry = 3 In of MODEL 13 1 H GLU 74 H GLU 74 -5.201 -9.658 -15.733 2 HA GLU 74 HA GLU 74 -5.984 -10.655 -13.205 3 HB2 GLU 74 HB2 GLU 74 -7.369 -10.757 -15.882 4 HB3 GLU 74 HB3 GLU 74 -8.098 -11.323 -14.389 5 HG2 GLU 74 HG2 GLU 74 -8.950 -9.168 -14.749 6 HG3 GLU 74 HG3 GLU 74 -7.745 -9.003 -13.474 No H/Q in entry = 6 In of MODEL 13 1 H GLU 75 H GLU 75 -4.338 -12.132 -15.747 2 HA GLU 75 HA GLU 75 -5.245 -14.794 -15.359 3 HB2 GLU 75 HB2 GLU 75 -2.842 -15.264 -16.360 4 HB3 GLU 75 HB3 GLU 75 -4.188 -14.729 -17.358 5 HG2 GLU 75 HG2 GLU 75 -3.370 -12.593 -17.544 6 HG3 GLU 75 HG3 GLU 75 -2.335 -12.745 -16.138 No H/Q in entry = 6 In of MODEL 13 1 H LYS 76 H LYS 76 -2.148 -13.338 -14.423 2 HA LYS 76 HA LYS 76 -1.321 -15.658 -13.093 3 HB2 LYS 76 HB2 LYS 76 -0.285 -12.844 -13.232 4 HB3 LYS 76 HB3 LYS 76 0.513 -14.078 -12.286 5 HG2 LYS 76 HG2 LYS 76 -0.051 -14.405 -15.215 6 HG3 LYS 76 HG3 LYS 76 1.427 -13.667 -14.598 7 HD2 LYS 76 HD2 LYS 76 2.208 -15.776 -14.672 8 HD3 LYS 76 HD3 LYS 76 1.364 -15.927 -13.131 9 HE2 LYS 76 HE2 LYS 76 0.835 -17.796 -14.507 10 HE3 LYS 76 HE3 LYS 76 -0.598 -16.799 -14.334 11 HZ1 LYS 76 HZ1 LYS 76 -0.110 -15.820 -16.524 12 HZ2 LYS 76 HZ2 LYS 76 1.197 -16.883 -16.688 13 HZ3 LYS 76 HZ3 LYS 76 -0.378 -17.490 -16.605 No H/Q in entry = 13 In of MODEL 13 1 H ALA 77 H ALA 77 -2.344 -12.497 -11.883 2 HA ALA 77 HA ALA 77 -1.904 -13.138 -9.182 3 HB1 ALA 77 HB1 ALA 77 -1.989 -10.857 -9.909 4 HB2 ALA 77 HB2 ALA 77 -3.246 -11.138 -8.702 5 HB3 ALA 77 HB3 ALA 77 -3.670 -11.046 -10.412 No H/Q in entry = 5 In of MODEL 13 1 H ALA 78 H ALA 78 -4.490 -13.845 -11.353 2 HA ALA 78 HA ALA 78 -6.466 -14.458 -9.388 3 HB1 ALA 78 HB1 ALA 78 -7.219 -14.053 -11.602 4 HB2 ALA 78 HB2 ALA 78 -7.485 -15.769 -11.289 5 HB3 ALA 78 HB3 ALA 78 -6.111 -15.255 -12.273 No H/Q in entry = 5 In of MODEL 13 1 H GLU 79 H GLU 79 -3.959 -16.236 -11.091 2 HA GLU 79 HA GLU 79 -4.644 -18.785 -10.036 3 HB2 GLU 79 HB2 GLU 79 -1.967 -17.915 -11.135 4 HB3 GLU 79 HB3 GLU 79 -2.584 -19.559 -11.016 5 HG2 GLU 79 HG2 GLU 79 -4.483 -18.704 -12.534 6 HG3 GLU 79 HG3 GLU 79 -3.380 -17.372 -12.876 No H/Q in entry = 6 In of MODEL 13 1 H LEU 80 H LEU 80 -2.751 -16.116 -8.904 2 HA LEU 80 HA LEU 80 -1.376 -17.669 -6.896 3 HB2 LEU 80 HB2 LEU 80 -1.581 -14.671 -7.020 4 HB3 LEU 80 HB3 LEU 80 -0.297 -15.645 -6.321 5 HG LEU 80 HG LEU 80 -0.910 -15.530 -9.271 6 HD11 LEU 80 HD11 LEU 80 -0.169 -13.364 -8.400 7 HD12 LEU 80 HD12 LEU 80 1.291 -14.134 -7.788 8 HD13 LEU 80 HD13 LEU 80 0.978 -14.088 -9.522 9 HD21 LEU 80 HD21 LEU 80 0.197 -17.585 -8.525 10 HD22 LEU 80 HD22 LEU 80 1.236 -16.602 -9.557 11 HD23 LEU 80 HD23 LEU 80 1.489 -16.619 -7.808 No H/Q in entry = 11 In of MODEL 13 1 H LYS 81 H LYS 81 -4.138 -15.519 -7.117 2 HA LYS 81 HA LYS 81 -4.792 -15.459 -4.366 3 HB2 LYS 81 HB2 LYS 81 -5.721 -14.019 -6.297 4 HB3 LYS 81 HB3 LYS 81 -6.780 -15.375 -6.643 5 HG2 LYS 81 HG2 LYS 81 -6.691 -13.960 -3.989 6 HG3 LYS 81 HG3 LYS 81 -7.798 -13.541 -5.293 7 HD2 LYS 81 HD2 LYS 81 -8.724 -15.819 -5.215 8 HD3 LYS 81 HD3 LYS 81 -7.629 -16.205 -3.884 9 HE2 LYS 81 HE2 LYS 81 -8.668 -14.386 -2.565 10 HE3 LYS 81 HE3 LYS 81 -9.813 -14.126 -3.877 11 HZ1 LYS 81 HZ1 LYS 81 -9.501 -16.693 -2.420 12 HZ2 LYS 81 HZ2 LYS 81 -10.679 -15.527 -2.061 13 HZ3 LYS 81 HZ3 LYS 81 -10.692 -16.307 -3.562 No H/Q in entry = 13 In of MODEL 13 1 H ASN 82 H ASN 82 -5.853 -17.506 -7.062 2 HA ASN 82 HA ASN 82 -7.486 -19.221 -5.529 3 HB2 ASN 82 HB2 ASN 82 -7.638 -19.023 -7.993 4 HB3 ASN 82 HB3 ASN 82 -6.053 -19.761 -8.147 5 HD21 ASN 82 HD21 ASN 82 -9.403 -20.290 -7.479 6 HD22 ASN 82 HD22 ASN 82 -9.357 -22.017 -7.574 No H/Q in entry = 6 In of MODEL 13 1 H LEU 83 H LEU 83 -4.050 -19.169 -6.170 2 HA LEU 83 HA LEU 83 -3.413 -21.770 -5.405 3 HB2 LEU 83 HB2 LEU 83 -2.014 -19.189 -5.636 4 HB3 LEU 83 HB3 LEU 83 -1.287 -20.335 -4.547 5 HG LEU 83 HG LEU 83 -1.904 -20.890 -7.445 6 HD11 LEU 83 HD11 LEU 83 0.708 -20.206 -6.104 7 HD12 LEU 83 HD12 LEU 83 0.526 -20.748 -7.775 8 HD13 LEU 83 HD13 LEU 83 -0.171 -19.211 -7.266 9 HD21 LEU 83 HD21 LEU 83 -1.896 -22.900 -6.050 10 HD22 LEU 83 HD22 LEU 83 -0.505 -22.865 -7.133 11 HD23 LEU 83 HD23 LEU 83 -0.303 -22.465 -5.428 No H/Q in entry = 11 In of MODEL 13 1 H LYS 84 H LYS 84 -3.817 -18.804 -3.513 2 HA LYS 84 HA LYS 84 -2.917 -19.854 -1.052 3 HB2 LYS 84 HB2 LYS 84 -3.150 -17.439 -1.458 4 HB3 LYS 84 HB3 LYS 84 -4.900 -17.617 -1.543 5 HG2 LYS 84 HG2 LYS 84 -4.894 -18.410 0.797 6 HG3 LYS 84 HG3 LYS 84 -3.158 -18.120 0.867 7 HD2 LYS 84 HD2 LYS 84 -5.260 -16.028 0.315 8 HD3 LYS 84 HD3 LYS 84 -4.464 -16.286 1.863 9 HE2 LYS 84 HE2 LYS 84 -2.308 -15.764 0.840 10 HE3 LYS 84 HE3 LYS 84 -3.103 -15.510 -0.713 11 HZ1 LYS 84 HZ1 LYS 84 -3.725 -13.952 1.734 12 HZ2 LYS 84 HZ2 LYS 84 -2.638 -13.446 0.546 13 HZ3 LYS 84 HZ3 LYS 84 -4.273 -13.645 0.162 No H/Q in entry = 13 In of MODEL 13 1 H ASP 85 H ASP 85 -6.217 -19.452 -2.340 2 HA ASP 85 HA ASP 85 -7.505 -20.677 -0.141 3 HB2 ASP 85 HB2 ASP 85 -8.386 -20.157 -2.974 4 HB3 ASP 85 HB3 ASP 85 -9.437 -20.916 -1.784 No H/Q in entry = 4 In of MODEL 13 1 H SER 86 H SER 86 -6.010 -22.005 -2.998 2 HA SER 86 HA SER 86 -7.287 -24.570 -2.743 3 HB2 SER 86 HB2 SER 86 -6.395 -23.642 -4.914 4 HB3 SER 86 HB3 SER 86 -4.770 -23.904 -4.288 5 HG SER 86 HG SER 86 -6.142 -26.151 -3.944 No H/Q in entry = 5 In of MODEL 13 1 H GLY 87 H GLY 87 -4.705 -22.973 -1.213 2 HA2 GLY 87 HA2 GLY 87 -4.062 -25.518 0.134 3 HA3 GLY 87 HA3 GLY 87 -4.053 -23.944 0.916 No H/Q in entry = 3 In of MODEL 13 1 H ALA 88 H ALA 88 -2.696 -23.053 -1.806 2 HA ALA 88 HA ALA 88 -0.133 -24.122 -1.740 3 HB1 ALA 88 HB1 ALA 88 -0.707 -21.251 -2.397 4 HB2 ALA 88 HB2 ALA 88 -1.184 -22.574 -3.461 5 HB3 ALA 88 HB3 ALA 88 0.517 -22.319 -3.086 No H/Q in entry = 5 In of MODEL 13 1 H SER 89 H SER 89 1.532 -23.721 -0.439 2 HA SER 89 HA SER 89 1.310 -22.379 2.026 3 HB2 SER 89 HB2 SER 89 3.846 -23.195 0.600 4 HB3 SER 89 HB3 SER 89 3.595 -23.012 2.328 5 HG SER 89 HG SER 89 1.946 -24.728 2.040 No H/Q in entry = 5 In of MODEL 13 1 H LYS 90 H LYS 90 2.770 -20.565 2.715 2 HA LYS 90 HA LYS 90 2.332 -18.268 1.218 3 HB2 LYS 90 HB2 LYS 90 4.516 -18.776 3.243 4 HB3 LYS 90 HB3 LYS 90 4.018 -17.191 2.668 5 HG2 LYS 90 HG2 LYS 90 1.802 -17.530 3.615 6 HG3 LYS 90 HG3 LYS 90 2.278 -19.135 4.172 7 HD2 LYS 90 HD2 LYS 90 4.011 -18.125 5.578 8 HD3 LYS 90 HD3 LYS 90 3.524 -16.523 5.026 9 HE2 LYS 90 HE2 LYS 90 1.790 -18.474 6.534 10 HE3 LYS 90 HE3 LYS 90 2.580 -17.057 7.222 11 HZ1 LYS 90 HZ1 LYS 90 1.287 -15.692 5.646 12 HZ2 LYS 90 HZ2 LYS 90 0.450 -17.079 5.159 13 HZ3 LYS 90 HZ3 LYS 90 0.322 -16.525 6.754 No H/Q in entry = 13 In of MODEL 13 1 H GLU 91 H GLU 91 5.022 -20.483 1.208 2 HA GLU 91 HA GLU 91 6.844 -19.037 -0.370 3 HB2 GLU 91 HB2 GLU 91 7.327 -21.051 0.998 4 HB3 GLU 91 HB3 GLU 91 6.470 -22.022 -0.191 5 HG2 GLU 91 HG2 GLU 91 8.092 -21.178 -1.902 6 HG3 GLU 91 HG3 GLU 91 9.005 -20.469 -0.570 No H/Q in entry = 6 In of MODEL 13 1 H GLU 92 H GLU 92 4.139 -21.136 -1.312 2 HA GLU 92 HA GLU 92 4.820 -21.378 -4.034 3 HB2 GLU 92 HB2 GLU 92 2.094 -21.513 -2.772 4 HB3 GLU 92 HB3 GLU 92 2.617 -22.279 -4.259 5 HG2 GLU 92 HG2 GLU 92 3.761 -22.943 -1.579 6 HG3 GLU 92 HG3 GLU 92 2.378 -23.769 -2.273 No H/Q in entry = 6 In of MODEL 13 1 H LEU 93 H LEU 93 2.811 -19.166 -2.132 2 HA LEU 93 HA LEU 93 2.317 -17.474 -4.401 3 HB2 LEU 93 HB2 LEU 93 2.287 -16.850 -1.443 4 HB3 LEU 93 HB3 LEU 93 1.865 -15.681 -2.683 5 HG LEU 93 HG LEU 93 0.251 -17.750 -3.374 6 HD11 LEU 93 HD11 LEU 93 0.903 -19.079 -1.446 7 HD12 LEU 93 HD12 LEU 93 0.370 -17.788 -0.370 8 HD13 LEU 93 HD13 LEU 93 -0.803 -18.633 -1.383 9 HD21 LEU 93 HD21 LEU 93 -0.372 -15.393 -3.135 10 HD22 LEU 93 HD22 LEU 93 -1.561 -16.476 -2.410 11 HD23 LEU 93 HD23 LEU 93 -0.428 -15.595 -1.383 No H/Q in entry = 11 In of MODEL 13 1 H LYS 94 H LYS 94 4.970 -17.688 -2.002 2 HA LYS 94 HA LYS 94 5.871 -15.092 -2.708 3 HB2 LYS 94 HB2 LYS 94 6.352 -16.067 -0.517 4 HB3 LYS 94 HB3 LYS 94 7.344 -17.308 -1.268 5 HG2 LYS 94 HG2 LYS 94 8.720 -15.565 -0.298 6 HG3 LYS 94 HG3 LYS 94 8.897 -15.601 -2.053 7 HD2 LYS 94 HD2 LYS 94 7.084 -13.785 -2.070 8 HD3 LYS 94 HD3 LYS 94 7.429 -13.615 -0.350 9 HE2 LYS 94 HE2 LYS 94 8.714 -12.002 -1.629 10 HE3 LYS 94 HE3 LYS 94 9.789 -13.187 -0.890 11 HZ1 LYS 94 HZ1 LYS 94 9.822 -14.369 -3.039 12 HZ2 LYS 94 HZ2 LYS 94 8.907 -13.123 -3.732 13 HZ3 LYS 94 HZ3 LYS 94 10.461 -12.810 -3.138 No H/Q in entry = 13 In of MODEL 13 1 H ALA 95 H ALA 95 6.808 -18.304 -3.638 2 HA ALA 95 HA ALA 95 9.016 -17.405 -5.237 3 HB1 ALA 95 HB1 ALA 95 9.110 -19.557 -4.122 4 HB2 ALA 95 HB2 ALA 95 9.205 -19.770 -5.870 5 HB3 ALA 95 HB3 ALA 95 7.694 -20.107 -5.020 No H/Q in entry = 5 In of MODEL 13 1 H LYS 96 H LYS 96 5.776 -18.793 -5.888 2 HA LYS 96 HA LYS 96 6.160 -18.851 -8.698 3 HB2 LYS 96 HB2 LYS 96 3.813 -19.154 -6.896 4 HB3 LYS 96 HB3 LYS 96 3.550 -18.954 -8.613 5 HG2 LYS 96 HG2 LYS 96 3.580 -21.313 -7.912 6 HG3 LYS 96 HG3 LYS 96 4.838 -20.941 -9.090 7 HD2 LYS 96 HD2 LYS 96 6.527 -20.990 -7.460 8 HD3 LYS 96 HD3 LYS 96 5.370 -20.897 -6.139 9 HE2 LYS 96 HE2 LYS 96 6.249 -23.143 -6.291 10 HE3 LYS 96 HE3 LYS 96 4.546 -23.146 -6.753 11 HZ1 LYS 96 HZ1 LYS 96 6.844 -23.158 -8.632 12 HZ2 LYS 96 HZ2 LYS 96 5.874 -24.490 -8.252 13 HZ3 LYS 96 HZ3 LYS 96 5.214 -23.171 -9.072 No H/Q in entry = 13 In of MODEL 13 1 H VAL 97 H VAL 97 5.346 -16.330 -6.552 2 HA VAL 97 HA VAL 97 3.941 -14.626 -8.364 3 HB VAL 97 HB VAL 97 5.323 -14.186 -5.732 4 HG11 VAL 97 HG11 VAL 97 5.880 -12.235 -7.087 5 HG12 VAL 97 HG12 VAL 97 4.175 -12.011 -7.469 6 HG13 VAL 97 HG13 VAL 97 4.736 -11.824 -5.810 7 HG21 VAL 97 HG21 VAL 97 2.973 -15.099 -5.992 8 HG22 VAL 97 HG22 VAL 97 3.175 -13.709 -4.926 9 HG23 VAL 97 HG23 VAL 97 2.523 -13.483 -6.549 No H/Q in entry = 9 In of MODEL 13 1 H GLU 98 H GLU 98 7.318 -15.019 -7.387 2 HA GLU 98 HA GLU 98 8.353 -12.831 -8.827 3 HB2 GLU 98 HB2 GLU 98 9.820 -15.400 -8.234 4 HB3 GLU 98 HB3 GLU 98 10.515 -13.811 -8.502 5 HG2 GLU 98 HG2 GLU 98 8.974 -14.787 -6.119 6 HG3 GLU 98 HG3 GLU 98 10.644 -14.237 -6.184 No H/Q in entry = 6 In of MODEL 13 1 H GLU 99 H GLU 99 7.405 -16.014 -9.731 2 HA GLU 99 HA GLU 99 8.736 -16.015 -12.282 3 HB2 GLU 99 HB2 GLU 99 6.527 -17.772 -11.199 4 HB3 GLU 99 HB3 GLU 99 7.388 -18.049 -12.709 5 HG2 GLU 99 HG2 GLU 99 8.668 -17.987 -9.983 6 HG3 GLU 99 HG3 GLU 99 8.198 -19.449 -10.851 No H/Q in entry = 6 In of MODEL 13 1 H ALA 100 H ALA 100 5.503 -15.334 -11.078 2 HA ALA 100 HA ALA 100 4.349 -14.997 -13.672 3 HB1 ALA 100 HB1 ALA 100 3.406 -14.202 -10.920 4 HB2 ALA 100 HB2 ALA 100 2.932 -15.631 -11.848 5 HB3 ALA 100 HB3 ALA 100 2.448 -14.023 -12.390 No H/Q in entry = 5 In of MODEL 13 1 H LEU 101 H LEU 101 5.299 -12.715 -11.102 2 HA LEU 101 HA LEU 101 4.914 -10.412 -12.701 3 HB2 LEU 101 HB2 LEU 101 6.295 -10.950 -10.087 4 HB3 LEU 101 HB3 LEU 101 6.342 -9.367 -10.829 5 HG LEU 101 HG LEU 101 4.630 -9.606 -9.055 6 HD11 LEU 101 HD11 LEU 101 3.639 -9.006 -11.829 7 HD12 LEU 101 HD12 LEU 101 2.793 -8.566 -10.344 8 HD13 LEU 101 HD13 LEU 101 4.378 -7.875 -10.698 9 HD21 LEU 101 HD21 LEU 101 3.960 -11.922 -9.487 10 HD22 LEU 101 HD22 LEU 101 2.581 -10.822 -9.470 11 HD23 LEU 101 HD23 LEU 101 3.221 -11.411 -11.004 No H/Q in entry = 11 In of MODEL 13 1 H HIS 102 H HIS 102 7.265 -12.771 -12.813 2 HA HIS 102 HA HIS 102 9.396 -11.133 -13.829 3 HB2 HIS 102 HB2 HIS 102 9.611 -13.513 -12.938 4 HB3 HIS 102 HB3 HIS 102 8.886 -14.048 -14.446 5 HD1 HIS 102 HD1 HIS 102 10.367 -13.986 -16.554 6 HD2 HIS 102 HD2 HIS 102 12.250 -12.613 -13.110 7 HE1 HIS 102 HE1 HIS 102 12.808 -13.842 -17.133 8 HE2 HIS 102 HE2 HIS 102 13.942 -13.117 -15.005 No H/Q in entry = 8 In of MODEL 13 1 H ALA 103 H ALA 103 6.653 -12.925 -15.080 2 HA ALA 103 HA ALA 103 7.419 -13.006 -17.761 3 HB1 ALA 103 HB1 ALA 103 4.661 -13.228 -16.565 4 HB2 ALA 103 HB2 ALA 103 5.836 -14.544 -16.661 5 HB3 ALA 103 HB3 ALA 103 5.168 -13.847 -18.141 No H/Q in entry = 5 In of MODEL 13 1 H VAL 104 H VAL 104 6.433 -10.291 -16.085 2 HA VAL 104 HA VAL 104 4.746 -9.206 -18.136 3 HB VAL 104 HB VAL 104 4.075 -8.782 -15.932 4 HG11 VAL 104 HG11 VAL 104 6.865 -7.809 -15.464 5 HG12 VAL 104 HG12 VAL 104 5.533 -7.588 -14.329 6 HG13 VAL 104 HG13 VAL 104 6.066 -9.212 -14.751 7 HG21 VAL 104 HG21 VAL 104 5.362 -6.295 -17.041 8 HG22 VAL 104 HG22 VAL 104 3.733 -6.871 -17.369 9 HG23 VAL 104 HG23 VAL 104 4.158 -6.306 -15.755 No H/Q in entry = 9 In of MODEL 13 1 H THR 105 H THR 105 5.228 -7.408 -19.390 2 HA THR 105 HA THR 105 8.050 -6.605 -19.474 3 HB THR 105 HB THR 105 7.900 -6.833 -22.022 4 HG1 THR 105 HG1 THR 105 5.890 -7.398 -22.537 5 HG21 THR 105 HG21 THR 105 9.323 -8.266 -20.632 6 HG22 THR 105 HG22 THR 105 7.953 -9.334 -20.327 7 HG23 THR 105 HG23 THR 105 8.605 -9.179 -21.959 No H/Q in entry = 7 In of MODEL 13 1 H ASP 106 H ASP 106 4.852 -5.559 -19.525 2 HA ASP 106 HA ASP 106 5.314 -3.265 -21.173 3 HB2 ASP 106 HB2 ASP 106 3.046 -4.106 -20.865 4 HB3 ASP 106 HB3 ASP 106 3.168 -3.845 -19.132 No H/Q in entry = 4 In of MODEL 13 1 H GLU 107 H GLU 107 6.166 -1.400 -20.638 2 HA GLU 107 HA GLU 107 7.982 -1.342 -18.584 3 HB2 GLU 107 HB2 GLU 107 8.262 1.080 -19.124 4 HB3 GLU 107 HB3 GLU 107 8.337 0.006 -20.510 5 HG2 GLU 107 HG2 GLU 107 6.092 0.614 -21.153 6 HG3 GLU 107 HG3 GLU 107 5.914 1.598 -19.702 No H/Q in entry = 6 In of MODEL 13 1 H GLU 108 H GLU 108 4.981 0.549 -18.703 2 HA GLU 108 HA GLU 108 5.261 1.785 -16.204 3 HB2 GLU 108 HB2 GLU 108 2.790 1.097 -17.787 4 HB3 GLU 108 HB3 GLU 108 2.749 2.039 -16.303 5 HG2 GLU 108 HG2 GLU 108 4.286 2.795 -18.775 6 HG3 GLU 108 HG3 GLU 108 2.694 3.413 -18.343 No H/Q in entry = 6 In of MODEL 13 1 H LYS 109 H LYS 109 3.712 -1.280 -17.098 2 HA LYS 109 HA LYS 109 2.687 -1.897 -14.568 3 HB2 LYS 109 HB2 LYS 109 3.370 -3.495 -17.005 4 HB3 LYS 109 HB3 LYS 109 2.879 -4.318 -15.527 5 HG2 LYS 109 HG2 LYS 109 0.744 -3.461 -15.587 6 HG3 LYS 109 HG3 LYS 109 1.217 -2.062 -16.539 7 HD2 LYS 109 HD2 LYS 109 -0.174 -3.595 -17.832 8 HD3 LYS 109 HD3 LYS 109 1.440 -3.473 -18.518 9 HE2 LYS 109 HE2 LYS 109 2.060 -5.589 -17.552 10 HE3 LYS 109 HE3 LYS 109 0.531 -5.682 -16.682 11 HZ1 LYS 109 HZ1 LYS 109 -0.608 -5.766 -18.836 12 HZ2 LYS 109 HZ2 LYS 109 0.882 -5.767 -19.630 13 HZ3 LYS 109 HZ3 LYS 109 0.453 -7.064 -18.630 No H/Q in entry = 13 In of MODEL 13 1 H LYS 110 H LYS 110 5.882 -2.394 -15.951 2 HA LYS 110 HA LYS 110 6.767 -3.900 -13.651 3 HB2 LYS 110 HB2 LYS 110 8.376 -2.729 -15.923 4 HB3 LYS 110 HB3 LYS 110 8.978 -3.854 -14.717 5 HG2 LYS 110 HG2 LYS 110 7.244 -5.485 -15.540 6 HG3 LYS 110 HG3 LYS 110 6.960 -4.369 -16.880 7 HD2 LYS 110 HD2 LYS 110 9.637 -5.581 -16.190 8 HD3 LYS 110 HD3 LYS 110 8.549 -6.198 -17.434 9 HE2 LYS 110 HE2 LYS 110 8.722 -4.097 -18.648 10 HE3 LYS 110 HE3 LYS 110 9.749 -3.432 -17.380 11 HZ1 LYS 110 HZ1 LYS 110 10.429 -5.782 -19.068 12 HZ2 LYS 110 HZ2 LYS 110 11.031 -4.217 -19.288 13 HZ3 LYS 110 HZ3 LYS 110 11.417 -5.081 -17.888 No H/Q in entry = 13 In of MODEL 13 1 H GLN 111 H GLN 111 6.585 -0.608 -14.582 2 HA GLN 111 HA GLN 111 8.431 0.449 -12.696 3 HB2 GLN 111 HB2 GLN 111 5.929 1.653 -13.890 4 HB3 GLN 111 HB3 GLN 111 7.053 2.542 -12.869 5 HG2 GLN 111 HG2 GLN 111 7.663 1.296 -15.541 6 HG3 GLN 111 HG3 GLN 111 7.467 3.014 -15.201 7 HE21 GLN 111 HE21 GLN 111 9.524 0.252 -14.899 8 HE22 GLN 111 HE22 GLN 111 10.941 1.098 -14.390 No H/Q in entry = 8 In of MODEL 13 1 H TYR 112 H TYR 112 5.020 -0.423 -12.533 2 HA TYR 112 HA TYR 112 4.596 0.404 -9.842 3 HB2 TYR 112 HB2 TYR 112 3.210 -1.695 -11.508 4 HB3 TYR 112 HB3 TYR 112 2.665 -1.188 -9.915 5 HD1 TYR 112 HD1 TYR 112 2.857 1.679 -9.940 6 HD2 TYR 112 HD2 TYR 112 1.723 -0.932 -13.094 7 HE1 TYR 112 HE1 TYR 112 1.559 3.495 -10.971 8 HE2 TYR 112 HE2 TYR 112 0.417 0.865 -14.133 9 HH TYR 112 HH TYR 112 0.689 4.127 -13.134 No H/Q in entry = 9 In of MODEL 13 1 H ILE 113 H ILE 113 5.760 -2.542 -11.352 2 HA ILE 113 HA ILE 113 5.888 -4.121 -9.044 3 HB ILE 113 HB ILE 113 7.494 -4.213 -11.582 4 HG12 ILE 113 HG12 ILE 113 5.158 -5.817 -10.531 5 HG13 ILE 113 HG13 ILE 113 5.085 -4.593 -11.795 6 HG21 ILE 113 HG21 ILE 113 7.392 -6.241 -9.350 7 HG22 ILE 113 HG22 ILE 113 8.140 -6.492 -10.927 8 HG23 ILE 113 HG23 ILE 113 8.792 -5.279 -9.823 9 HD11 ILE 113 HD11 ILE 113 6.618 -7.167 -11.953 10 HD12 ILE 113 HD12 ILE 113 5.041 -6.862 -12.677 11 HD13 ILE 113 HD13 ILE 113 6.456 -5.963 -13.229 No H/Q in entry = 11 In of MODEL 13 1 H ALA 114 H ALA 114 8.177 -1.740 -10.323 2 HA ALA 114 HA ALA 114 10.227 -2.426 -8.416 3 HB1 ALA 114 HB1 ALA 114 10.826 -1.506 -10.604 4 HB2 ALA 114 HB2 ALA 114 11.428 -0.487 -9.297 5 HB3 ALA 114 HB3 ALA 114 9.994 -0.003 -10.201 No H/Q in entry = 5 In of MODEL 13 1 H ASP 115 H ASP 115 7.859 0.184 -8.777 2 HA ASP 115 HA ASP 115 8.754 1.533 -6.412 3 HB2 ASP 115 HB2 ASP 115 6.368 1.886 -8.206 4 HB3 ASP 115 HB3 ASP 115 6.516 2.795 -6.705 No H/Q in entry = 4 In of MODEL 13 1 H PHE 116 H PHE 116 5.860 -0.339 -7.166 2 HA PHE 116 HA PHE 116 5.122 -0.184 -4.344 3 HB2 PHE 116 HB2 PHE 116 3.384 0.737 -5.615 4 HB3 PHE 116 HB3 PHE 116 3.563 -0.448 -6.897 5 HD1 PHE 116 HD1 PHE 116 2.514 -0.084 -3.375 6 HD2 PHE 116 HD2 PHE 116 2.106 -2.244 -7.015 7 HE1 PHE 116 HE1 PHE 116 0.645 -1.370 -2.404 8 HE2 PHE 116 HE2 PHE 116 0.241 -3.531 -6.054 9 HZ PHE 116 HZ PHE 116 -0.542 -3.079 -3.842 No H/Q in entry = 9 In of MODEL 13 1 H GLY 117 H GLY 117 6.132 -2.380 -6.761 2 HA2 GLY 117 HA2 GLY 117 6.521 -4.641 -6.755 3 HA3 GLY 117 HA3 GLY 117 4.904 -4.761 -6.094 No H/Q in entry = 3 In of MODEL 13 1 HA PRO 118 HA PRO 118 8.496 -6.096 -3.118 2 HB2 PRO 118 HB2 PRO 118 9.964 -4.065 -2.004 3 HB3 PRO 118 HB3 PRO 118 10.459 -4.971 -3.437 4 HG2 PRO 118 HG2 PRO 118 9.106 -2.305 -3.254 5 HG3 PRO 118 HG3 PRO 118 10.452 -2.805 -4.295 6 HD2 PRO 118 HD2 PRO 118 7.961 -2.646 -5.247 7 HD3 PRO 118 HD3 PRO 118 9.056 -3.947 -5.762 No H/Q in entry = 7 In of MODEL 13 1 H ALA 119 H ALA 119 6.722 -3.165 -2.649 2 HA ALA 119 HA ALA 119 6.482 -3.496 0.232 3 HB1 ALA 119 HB1 ALA 119 5.076 -1.462 0.048 4 HB2 ALA 119 HB2 ALA 119 5.340 -1.485 -1.696 5 HB3 ALA 119 HB3 ALA 119 6.704 -1.259 -0.600 No H/Q in entry = 5 In of MODEL 13 1 H CYS 120 H CYS 120 4.533 -3.854 -2.678 2 HA CYS 120 HA CYS 120 2.114 -4.611 -1.506 3 HB2 CYS 120 HB2 CYS 120 2.357 -4.198 -3.904 4 HB3 CYS 120 HB3 CYS 120 3.393 -5.613 -4.054 No H/Q in entry = 4 In of MODEL 13 1 H LYS 121 H LYS 121 5.122 -6.320 -1.881 2 HA LYS 121 HA LYS 121 4.269 -8.939 -1.427 3 HB2 LYS 121 HB2 LYS 121 6.794 -7.477 -1.323 4 HB3 LYS 121 HB3 LYS 121 6.732 -8.816 -0.191 5 HG2 LYS 121 HG2 LYS 121 7.701 -9.456 -2.345 6 HG3 LYS 121 HG3 LYS 121 6.231 -10.358 -1.981 7 HD2 LYS 121 HD2 LYS 121 4.961 -8.823 -3.433 8 HD3 LYS 121 HD3 LYS 121 6.462 -7.982 -3.828 9 HE2 LYS 121 HE2 LYS 121 5.971 -10.915 -4.316 10 HE3 LYS 121 HE3 LYS 121 5.740 -9.655 -5.529 11 HZ1 LYS 121 HZ1 LYS 121 8.324 -9.937 -4.138 12 HZ2 LYS 121 HZ2 LYS 121 7.960 -10.920 -5.465 13 HZ3 LYS 121 HZ3 LYS 121 8.000 -9.234 -5.640 No H/Q in entry = 13 In of MODEL 13 1 H LYS 122 H LYS 122 5.473 -6.590 1.028 2 HA LYS 122 HA LYS 122 4.740 -8.254 3.214 3 HB2 LYS 122 HB2 LYS 122 5.101 -6.345 4.639 4 HB3 LYS 122 HB3 LYS 122 6.368 -6.397 3.427 5 HG2 LYS 122 HG2 LYS 122 5.034 -4.695 2.138 6 HG3 LYS 122 HG3 LYS 122 4.020 -4.536 3.570 7 HD2 LYS 122 HD2 LYS 122 6.996 -4.045 3.435 8 HD3 LYS 122 HD3 LYS 122 5.747 -2.805 3.498 9 HE2 LYS 122 HE2 LYS 122 6.440 -2.906 5.697 10 HE3 LYS 122 HE3 LYS 122 5.046 -3.981 5.703 11 HZ1 LYS 122 HZ1 LYS 122 7.847 -4.920 5.411 12 HZ2 LYS 122 HZ2 LYS 122 7.030 -4.850 6.886 13 HZ3 LYS 122 HZ3 LYS 122 6.473 -5.873 5.665 No H/Q in entry = 13 In of MODEL 13 1 H ILE 123 H ILE 123 2.993 -6.043 1.189 2 HA ILE 123 HA ILE 123 0.776 -5.596 2.850 3 HB ILE 123 HB ILE 123 1.052 -5.514 -0.128 4 HG12 ILE 123 HG12 ILE 123 0.700 -3.385 1.992 5 HG13 ILE 123 HG13 ILE 123 2.225 -3.812 1.223 6 HG21 ILE 123 HG21 ILE 123 -1.366 -4.831 1.541 7 HG22 ILE 123 HG22 ILE 123 -1.159 -4.403 -0.160 8 HG23 ILE 123 HG23 ILE 123 -1.249 -6.097 0.319 9 HD11 ILE 123 HD11 ILE 123 -0.159 -2.795 -0.273 10 HD12 ILE 123 HD12 ILE 123 1.121 -1.764 0.351 11 HD13 ILE 123 HD13 ILE 123 1.489 -2.982 -0.866 No H/Q in entry = 11 In of MODEL 13 1 H TYR 124 H TYR 124 1.267 -7.861 0.275 2 HA TYR 124 HA TYR 124 -0.960 -9.573 0.895 3 HB2 TYR 124 HB2 TYR 124 1.039 -9.351 -1.238 4 HB3 TYR 124 HB3 TYR 124 0.649 -11.014 -0.802 5 HD1 TYR 124 HD1 TYR 124 -0.915 -7.780 -1.770 6 HD2 TYR 124 HD2 TYR 124 -1.299 -12.013 -1.624 7 HE1 TYR 124 HE1 TYR 124 -2.959 -7.633 -3.129 8 HE2 TYR 124 HE2 TYR 124 -3.348 -11.876 -2.981 9 HH TYR 124 HH TYR 124 -5.109 -10.207 -3.485 No H/Q in entry = 9 In of MODEL 13 1 H GLY 125 H GLY 125 0.766 -9.230 3.057 2 HA2 GLY 125 HA2 GLY 125 2.143 -10.360 4.589 3 HA3 GLY 125 HA3 GLY 125 3.216 -9.695 3.395 No H/Q in entry = 3 In of MODEL 13 1 H VAL 126 H VAL 126 2.401 -11.839 1.448 2 HA VAL 126 HA VAL 126 3.463 -14.287 2.123 3 HB VAL 126 HB VAL 126 4.454 -14.367 -0.160 4 HG11 VAL 126 HG11 VAL 126 1.674 -13.218 0.012 5 HG12 VAL 126 HG12 VAL 126 2.351 -14.016 -1.407 6 HG13 VAL 126 HG13 VAL 126 2.121 -14.924 0.090 7 HG21 VAL 126 HG21 VAL 126 3.605 -11.474 -0.266 8 HG22 VAL 126 HG22 VAL 126 5.254 -12.100 -0.362 9 HG23 VAL 126 HG23 VAL 126 4.109 -12.430 -1.663 No H/Q in entry = 9 In of MODEL 13 1 H HIS 127 H HIS 127 5.095 -11.201 1.834 2 HA HIS 127 HA HIS 127 7.735 -12.308 2.266 3 HB2 HIS 127 HB2 HIS 127 7.497 -10.338 0.846 4 HB3 HIS 127 HB3 HIS 127 6.732 -9.450 2.154 5 HD1 HIS 127 HD1 HIS 127 10.090 -11.206 1.647 6 HD2 HIS 127 HD2 HIS 127 8.469 -7.775 3.334 7 HE1 HIS 127 HE1 HIS 127 12.042 -9.920 2.564 8 HE2 HIS 127 HE2 HIS 127 11.053 -7.766 3.412 No H/Q in entry = 8 In of MODEL 13 1 H THR 128 H THR 128 6.178 -13.214 4.206 2 HA THR 128 HA THR 128 7.476 -12.145 6.554 3 HB THR 128 HB THR 128 4.469 -12.458 6.667 4 HG1 THR 128 HG1 THR 128 5.993 -10.321 5.746 5 HG21 THR 128 HG21 THR 128 5.707 -12.603 8.789 6 HG22 THR 128 HG22 THR 128 6.436 -11.031 8.466 7 HG23 THR 128 HG23 THR 128 4.696 -11.159 8.727 No H/Q in entry = 7 In of MODEL 13 1 H SER 129 H SER 129 8.063 -14.401 5.305 2 HA SER 129 HA SER 129 6.677 -16.551 6.759 3 HB2 SER 129 HB2 SER 129 8.211 -16.773 4.157 4 HB3 SER 129 HB3 SER 129 7.244 -18.032 4.925 5 HG SER 129 HG SER 129 6.449 -15.837 3.425 No H/Q in entry = 5 In of MODEL 14 1 HA2 GLY -4 HA2 GLY -4 0.622 7.056 -28.005 2 HA3 GLY -4 HA3 GLY -4 2.147 6.492 -28.674 3 H1 GLY -4 H1 GLY -4 1.736 4.329 -27.684 4 H2 GLY -4 H2 GLY -4 0.477 4.759 -28.721 No H/Q in entry = 4 In of MODEL 14 1 H SER -3 H SER -3 1.629 8.674 -26.766 2 HA SER -3 HA SER -3 3.685 8.031 -24.894 3 HB2 SER -3 HB2 SER -3 3.165 10.357 -24.009 4 HB3 SER -3 HB3 SER -3 3.647 10.272 -25.702 5 HG SER -3 HG SER -3 1.330 11.160 -24.608 No H/Q in entry = 5 In of MODEL 14 1 HA PRO -2 HA PRO -2 0.863 6.230 -21.967 2 HB2 PRO -2 HB2 PRO -2 2.694 5.629 -20.070 3 HB3 PRO -2 HB3 PRO -2 2.522 4.698 -21.563 4 HG2 PRO -2 HG2 PRO -2 4.498 6.834 -20.884 5 HG3 PRO -2 HG3 PRO -2 4.762 5.290 -21.711 6 HD2 PRO -2 HD2 PRO -2 4.547 7.651 -23.029 7 HD3 PRO -2 HD3 PRO -2 4.027 6.105 -23.730 No H/Q in entry = 7 In of MODEL 14 1 H GLU -1 H GLU -1 0.095 8.572 -21.805 2 HA GLU -1 HA GLU -1 0.878 9.767 -19.243 3 HB2 GLU -1 HB2 GLU -1 0.881 11.246 -21.219 4 HB3 GLU -1 HB3 GLU -1 -0.823 10.899 -21.476 5 HG2 GLU -1 HG2 GLU -1 -0.491 13.059 -20.403 6 HG3 GLU -1 HG3 GLU -1 -1.381 11.949 -19.364 No H/Q in entry = 6 In of MODEL 14 1 H PHE 0 H PHE 0 -0.301 9.181 -17.555 2 HA PHE 0 HA PHE 0 -3.176 9.134 -17.765 3 HB2 PHE 0 HB2 PHE 0 -3.387 6.916 -16.680 4 HB3 PHE 0 HB3 PHE 0 -2.709 6.836 -18.302 5 HD1 PHE 0 HD1 PHE 0 -0.133 6.747 -18.458 6 HD2 PHE 0 HD2 PHE 0 -2.348 5.856 -14.951 7 HE1 PHE 0 HE1 PHE 0 1.791 5.485 -17.577 8 HE2 PHE 0 HE2 PHE 0 -0.435 4.588 -14.051 9 HZ PHE 0 HZ PHE 0 1.643 4.370 -15.420 No H/Q in entry = 9 In of MODEL 14 1 H HIS 1 H HIS 1 -4.236 9.344 -15.778 2 HA HIS 1 HA HIS 1 -2.483 10.120 -13.534 3 HB2 HIS 1 HB2 HIS 1 -3.761 11.971 -14.790 4 HB3 HIS 1 HB3 HIS 1 -5.216 11.274 -14.100 5 HD1 HIS 1 HD1 HIS 1 -2.041 13.039 -13.069 6 HD2 HIS 1 HD2 HIS 1 -5.761 12.028 -11.519 7 HE1 HIS 1 HE1 HIS 1 -2.232 14.292 -10.902 8 HE2 HIS 1 HE2 HIS 1 -4.506 13.694 -9.995 No H/Q in entry = 8 In of MODEL 14 1 H HIS 2 H HIS 2 -3.310 7.519 -13.866 2 HA HIS 2 HA HIS 2 -5.784 7.082 -12.422 3 HB2 HIS 2 HB2 HIS 2 -5.118 5.662 -14.362 4 HB3 HIS 2 HB3 HIS 2 -3.769 5.055 -13.412 5 HD1 HIS 2 HD1 HIS 2 -4.422 2.673 -13.011 6 HD2 HIS 2 HD2 HIS 2 -7.532 5.315 -12.215 7 HE1 HIS 2 HE1 HIS 2 -6.261 1.278 -12.019 8 HE2 HIS 2 HE2 HIS 2 -8.148 2.884 -11.584 No H/Q in entry = 8 In of MODEL 14 1 H PHE 3 H PHE 3 -2.323 6.457 -11.938 2 HA PHE 3 HA PHE 3 -2.863 5.621 -9.199 3 HB2 PHE 3 HB2 PHE 3 -0.503 5.410 -11.017 4 HB3 PHE 3 HB3 PHE 3 -0.239 5.375 -9.276 5 HD1 PHE 3 HD1 PHE 3 -1.745 3.716 -7.952 6 HD2 PHE 3 HD2 PHE 3 -0.949 3.431 -12.122 7 HE1 PHE 3 HE1 PHE 3 -2.315 1.325 -7.890 8 HE2 PHE 3 HE2 PHE 3 -1.516 1.035 -12.068 9 HZ PHE 3 HZ PHE 3 -2.198 -0.014 -9.949 No H/Q in entry = 9 In of MODEL 14 1 H THR 4 H THR 4 -3.481 7.544 -8.286 2 HA THR 4 HA THR 4 -1.226 9.283 -7.603 3 HB THR 4 HB THR 4 -2.969 11.181 -7.478 4 HG1 THR 4 HG1 THR 4 -4.590 9.288 -8.275 5 HG21 THR 4 HG21 THR 4 -2.076 10.124 -10.157 6 HG22 THR 4 HG22 THR 4 -2.645 11.766 -9.847 7 HG23 THR 4 HG23 THR 4 -1.160 11.190 -9.089 No H/Q in entry = 7 In of MODEL 14 1 H LEU 5 H LEU 5 -1.330 10.123 -5.501 2 HA LEU 5 HA LEU 5 -2.284 8.233 -3.650 3 HB2 LEU 5 HB2 LEU 5 -0.358 10.157 -3.669 4 HB3 LEU 5 HB3 LEU 5 -1.552 10.898 -2.625 5 HG LEU 5 HG LEU 5 0.157 9.706 -1.345 6 HD11 LEU 5 HD11 LEU 5 -2.547 8.387 -1.197 7 HD12 LEU 5 HD12 LEU 5 -1.307 8.339 0.057 8 HD13 LEU 5 HD13 LEU 5 -2.060 9.872 -0.380 9 HD21 LEU 5 HD21 LEU 5 0.715 8.002 -3.003 10 HD22 LEU 5 HD22 LEU 5 0.343 7.285 -1.436 11 HD23 LEU 5 HD23 LEU 5 -0.847 7.227 -2.735 No H/Q in entry = 11 In of MODEL 14 1 H GLU 6 H GLU 6 -3.551 11.354 -4.680 2 HA GLU 6 HA GLU 6 -5.688 11.577 -2.889 3 HB2 GLU 6 HB2 GLU 6 -5.690 12.227 -5.851 4 HB3 GLU 6 HB3 GLU 6 -6.833 12.845 -4.665 5 HG2 GLU 6 HG2 GLU 6 -5.024 14.002 -3.514 6 HG3 GLU 6 HG3 GLU 6 -3.869 13.366 -4.684 No H/Q in entry = 6 In of MODEL 14 1 H SER 7 H SER 7 -5.411 9.578 -5.870 2 HA SER 7 HA SER 7 -8.044 8.843 -6.116 3 HB2 SER 7 HB2 SER 7 -5.606 7.172 -6.729 4 HB3 SER 7 HB3 SER 7 -7.231 6.874 -7.350 5 HG SER 7 HG SER 7 -7.121 9.003 -8.282 No H/Q in entry = 5 In of MODEL 14 1 H SER 8 H SER 8 -5.896 7.780 -3.609 2 HA SER 8 HA SER 8 -7.553 5.427 -3.151 3 HB2 SER 8 HB2 SER 8 -5.772 4.743 -1.534 4 HB3 SER 8 HB3 SER 8 -5.250 4.890 -3.216 5 HG SER 8 HG SER 8 -4.935 7.259 -1.996 No H/Q in entry = 5 In of MODEL 14 1 H LEU 9 H LEU 9 -7.467 8.603 -1.972 2 HA LEU 9 HA LEU 9 -7.063 8.170 0.739 3 HB2 LEU 9 HB2 LEU 9 -8.479 10.418 -0.634 4 HB3 LEU 9 HB3 LEU 9 -7.915 10.440 1.028 5 HG LEU 9 HG LEU 9 -6.098 9.992 -1.327 6 HD11 LEU 9 HD11 LEU 9 -6.786 12.527 0.124 7 HD12 LEU 9 HD12 LEU 9 -5.452 12.339 -1.016 8 HD13 LEU 9 HD13 LEU 9 -7.111 12.125 -1.563 9 HD21 LEU 9 HD21 LEU 9 -5.559 10.717 1.553 10 HD22 LEU 9 HD22 LEU 9 -5.247 9.153 0.795 11 HD23 LEU 9 HD23 LEU 9 -4.343 10.581 0.282 No H/Q in entry = 11 In of MODEL 14 1 H ASP 10 H ASP 10 -10.051 8.012 -0.991 2 HA ASP 10 HA ASP 10 -11.452 7.552 1.541 3 HB2 ASP 10 HB2 ASP 10 -12.411 8.226 -1.220 4 HB3 ASP 10 HB3 ASP 10 -13.510 7.601 0.008 No H/Q in entry = 4 In of MODEL 14 1 H THR 11 H THR 11 -9.778 5.761 -0.538 2 HA THR 11 HA THR 11 -11.563 3.457 -0.197 3 HB THR 11 HB THR 11 -10.476 2.501 -2.278 4 HG1 THR 11 HG1 THR 11 -9.916 5.141 -3.061 5 HG21 THR 11 HG21 THR 11 -12.165 4.986 -2.581 6 HG22 THR 11 HG22 THR 11 -11.935 3.747 -3.816 7 HG23 THR 11 HG23 THR 11 -12.760 3.348 -2.310 No H/Q in entry = 7 In of MODEL 14 1 H HIS 12 H HIS 12 -8.461 3.134 -1.671 2 HA HIS 12 HA HIS 12 -7.669 1.136 0.083 3 HB2 HIS 12 HB2 HIS 12 -5.783 2.751 -1.626 4 HB3 HIS 12 HB3 HIS 12 -5.546 1.107 -1.051 5 HD1 HIS 12 HD1 HIS 12 -7.712 -0.529 -1.968 6 HD2 HIS 12 HD2 HIS 12 -6.536 2.775 -4.201 7 HE1 HIS 12 HE1 HIS 12 -8.566 -0.945 -4.299 8 HE2 HIS 12 HE2 HIS 12 -8.005 1.154 -5.578 No H/Q in entry = 8 In of MODEL 14 1 H LEU 13 H LEU 13 -6.933 4.593 0.175 2 HA LEU 13 HA LEU 13 -5.120 4.054 2.439 3 HB2 LEU 13 HB2 LEU 13 -5.074 6.066 0.271 4 HB3 LEU 13 HB3 LEU 13 -4.486 6.558 1.846 5 HG LEU 13 HG LEU 13 -2.619 5.836 0.510 6 HD11 LEU 13 HD11 LEU 13 -2.645 5.262 2.922 7 HD12 LEU 13 HD12 LEU 13 -3.242 3.661 2.495 8 HD13 LEU 13 HD13 LEU 13 -1.652 4.182 1.945 9 HD21 LEU 13 HD21 LEU 13 -4.082 3.221 0.179 10 HD22 LEU 13 HD22 LEU 13 -3.770 4.411 -1.082 11 HD23 LEU 13 HD23 LEU 13 -2.428 3.544 -0.337 No H/Q in entry = 11 In of MODEL 14 1 H LYS 14 H LYS 14 -8.018 4.303 2.503 2 HA LYS 14 HA LYS 14 -8.817 6.845 3.456 3 HB2 LYS 14 HB2 LYS 14 -10.926 5.831 3.914 4 HB3 LYS 14 HB3 LYS 14 -10.315 5.132 2.426 5 HG2 LYS 14 HG2 LYS 14 -9.476 3.204 3.836 6 HG3 LYS 14 HG3 LYS 14 -10.438 3.880 5.152 7 HD2 LYS 14 HD2 LYS 14 -11.437 2.915 2.473 8 HD3 LYS 14 HD3 LYS 14 -11.716 2.165 4.045 9 HE2 LYS 14 HE2 LYS 14 -12.972 4.151 4.753 10 HE3 LYS 14 HE3 LYS 14 -12.707 4.874 3.165 11 HZ1 LYS 14 HZ1 LYS 14 -13.907 3.001 2.186 12 HZ2 LYS 14 HZ2 LYS 14 -14.213 2.381 3.728 13 HZ3 LYS 14 HZ3 LYS 14 -14.871 3.870 3.267 No H/Q in entry = 13 In of MODEL 14 1 H TRP 15 H TRP 15 -7.262 4.216 4.966 2 HA TRP 15 HA TRP 15 -8.207 4.664 7.629 3 HB2 TRP 15 HB2 TRP 15 -6.366 3.070 8.233 4 HB3 TRP 15 HB3 TRP 15 -7.497 2.448 7.033 5 HD1 TRP 15 HD1 TRP 15 -6.608 2.197 4.524 6 HE1 TRP 15 HE1 TRP 15 -4.234 2.005 3.555 7 HE3 TRP 15 HE3 TRP 15 -3.952 3.843 8.569 8 HZ2 TRP 15 HZ2 TRP 15 -1.582 2.486 4.399 9 HZ3 TRP 15 HZ3 TRP 15 -1.499 3.945 8.404 10 HH2 TRP 15 HH2 TRP 15 -0.340 3.279 6.362 No H/Q in entry = 10 In of MODEL 14 1 H LEU 16 H LEU 16 -6.075 6.349 5.674 2 HA LEU 16 HA LEU 16 -4.274 7.240 7.733 3 HB2 LEU 16 HB2 LEU 16 -4.945 8.404 5.020 4 HB3 LEU 16 HB3 LEU 16 -3.704 9.033 6.081 5 HG LEU 16 HG LEU 16 -3.651 6.235 4.941 6 HD11 LEU 16 HD11 LEU 16 -3.567 7.912 3.150 7 HD12 LEU 16 HD12 LEU 16 -2.216 8.703 3.968 8 HD13 LEU 16 HD13 LEU 16 -2.031 7.065 3.337 9 HD21 LEU 16 HD21 LEU 16 -1.552 7.933 6.291 10 HD22 LEU 16 HD22 LEU 16 -2.302 6.473 6.938 11 HD23 LEU 16 HD23 LEU 16 -1.250 6.375 5.522 No H/Q in entry = 11 In of MODEL 14 1 H SER 17 H SER 17 -4.347 9.145 8.846 2 HA SER 17 HA SER 17 -6.951 10.264 9.332 3 HB2 SER 17 HB2 SER 17 -5.319 10.003 11.164 4 HB3 SER 17 HB3 SER 17 -4.239 11.130 10.356 5 HG SER 17 HG SER 17 -5.789 11.873 12.121 No H/Q in entry = 5 In of MODEL 14 1 H GLN 18 H GLN 18 -7.364 12.669 9.172 2 HA GLN 18 HA GLN 18 -6.944 13.574 6.572 3 HB2 GLN 18 HB2 GLN 18 -7.623 15.091 9.097 4 HB3 GLN 18 HB3 GLN 18 -7.540 15.874 7.527 5 HG2 GLN 18 HG2 GLN 18 -9.368 13.584 8.211 6 HG3 GLN 18 HG3 GLN 18 -9.831 15.287 8.207 7 HE21 GLN 18 HE21 GLN 18 -9.019 12.533 6.274 8 HE22 GLN 18 HE22 GLN 18 -9.508 13.199 4.750 No H/Q in entry = 8 In of MODEL 14 1 H GLU 19 H GLU 19 -5.214 14.427 9.538 2 HA GLU 19 HA GLU 19 -3.413 16.230 8.455 3 HB2 GLU 19 HB2 GLU 19 -2.906 14.253 10.685 4 HB3 GLU 19 HB3 GLU 19 -2.106 15.781 10.427 5 HG2 GLU 19 HG2 GLU 19 -4.165 16.978 10.884 6 HG3 GLU 19 HG3 GLU 19 -4.999 15.443 11.121 No H/Q in entry = 6 In of MODEL 14 1 H GLN 20 H GLN 20 -3.341 12.696 8.563 2 HA GLN 20 HA GLN 20 -0.687 12.481 7.530 3 HB2 GLN 20 HB2 GLN 20 -2.917 10.429 7.526 4 HB3 GLN 20 HB3 GLN 20 -1.221 10.100 7.203 5 HG2 GLN 20 HG2 GLN 20 -0.639 10.715 9.468 6 HG3 GLN 20 HG3 GLN 20 -2.312 11.155 9.804 7 HE21 GLN 20 HE21 GLN 20 -0.066 8.563 9.390 8 HE22 GLN 20 HE22 GLN 20 -1.109 7.293 9.924 No H/Q in entry = 8 In of MODEL 14 1 H LYS 21 H LYS 21 -3.938 12.190 6.086 2 HA LYS 21 HA LYS 21 -3.140 11.616 3.468 3 HB2 LYS 21 HB2 LYS 21 -5.523 13.206 4.441 4 HB3 LYS 21 HB3 LYS 21 -5.319 12.644 2.789 5 HG2 LYS 21 HG2 LYS 21 -5.337 10.331 3.565 6 HG3 LYS 21 HG3 LYS 21 -5.521 10.889 5.227 7 HD2 LYS 21 HD2 LYS 21 -7.661 11.881 4.701 8 HD3 LYS 21 HD3 LYS 21 -7.465 11.468 2.996 9 HE2 LYS 21 HE2 LYS 21 -7.534 9.109 3.526 10 HE3 LYS 21 HE3 LYS 21 -7.612 9.470 5.251 11 HZ1 LYS 21 HZ1 LYS 21 -9.665 10.288 3.266 12 HZ2 LYS 21 HZ2 LYS 21 -9.788 8.932 4.267 13 HZ3 LYS 21 HZ3 LYS 21 -9.754 10.480 4.944 No H/Q in entry = 13 In of MODEL 14 1 H ASP 22 H ASP 22 -3.730 14.720 5.028 2 HA ASP 22 HA ASP 22 -2.976 16.386 2.881 3 HB2 ASP 22 HB2 ASP 22 -4.257 17.122 4.880 4 HB3 ASP 22 HB3 ASP 22 -2.803 16.935 5.848 No H/Q in entry = 4 In of MODEL 14 1 H GLU 23 H GLU 23 -1.054 14.905 5.514 2 HA GLU 23 HA GLU 23 1.399 16.081 4.885 3 HB2 GLU 23 HB2 GLU 23 0.518 14.291 6.735 4 HB3 GLU 23 HB3 GLU 23 1.454 13.247 5.668 5 HG2 GLU 23 HG2 GLU 23 3.340 14.775 5.875 6 HG3 GLU 23 HG3 GLU 23 2.393 15.746 6.995 No H/Q in entry = 6 In of MODEL 14 1 H LEU 24 H LEU 24 0.021 12.988 3.735 2 HA LEU 24 HA LEU 24 2.176 12.291 2.079 3 HB2 LEU 24 HB2 LEU 24 -0.725 11.523 2.158 4 HB3 LEU 24 HB3 LEU 24 0.338 10.891 0.921 5 HG LEU 24 HG LEU 24 -0.098 9.420 2.943 6 HD11 LEU 24 HD11 LEU 24 2.732 10.081 2.181 7 HD12 LEU 24 HD12 LEU 24 2.235 8.654 3.094 8 HD13 LEU 24 HD13 LEU 24 1.675 8.878 1.434 9 HD21 LEU 24 HD21 LEU 24 1.593 11.511 4.237 10 HD22 LEU 24 HD22 LEU 24 0.080 10.801 4.798 11 HD23 LEU 24 HD23 LEU 24 1.563 9.847 4.812 No H/Q in entry = 11 In of MODEL 14 1 H LEU 25 H LEU 25 -0.834 14.055 1.399 2 HA LEU 25 HA LEU 25 -0.443 14.323 -1.374 3 HB2 LEU 25 HB2 LEU 25 -1.948 16.065 0.574 4 HB3 LEU 25 HB3 LEU 25 -2.013 16.257 -1.166 5 HG LEU 25 HG LEU 25 -2.980 13.884 0.421 6 HD11 LEU 25 HD11 LEU 25 -4.460 15.811 0.498 7 HD12 LEU 25 HD12 LEU 25 -4.442 15.911 -1.264 8 HD13 LEU 25 HD13 LEU 25 -5.166 14.514 -0.465 9 HD21 LEU 25 HD21 LEU 25 -2.859 14.301 -2.562 10 HD22 LEU 25 HD22 LEU 25 -1.996 13.081 -1.626 11 HD23 LEU 25 HD23 LEU 25 -3.751 13.008 -1.761 No H/Q in entry = 11 In of MODEL 14 1 H LYS 26 H LYS 26 0.656 16.223 1.356 2 HA LYS 26 HA LYS 26 1.682 18.437 -0.048 3 HB2 LYS 26 HB2 LYS 26 1.363 18.426 2.379 4 HB3 LYS 26 HB3 LYS 26 2.608 17.199 2.552 5 HG2 LYS 26 HG2 LYS 26 3.551 19.301 3.154 6 HG3 LYS 26 HG3 LYS 26 4.244 18.822 1.605 7 HD2 LYS 26 HD2 LYS 26 2.681 20.310 0.449 8 HD3 LYS 26 HD3 LYS 26 1.980 20.781 1.995 9 HE2 LYS 26 HE2 LYS 26 4.137 21.693 2.699 10 HE3 LYS 26 HE3 LYS 26 4.848 21.207 1.162 11 HZ1 LYS 26 HZ1 LYS 26 2.647 23.174 1.497 12 HZ2 LYS 26 HZ2 LYS 26 4.263 23.548 1.168 13 HZ3 LYS 26 HZ3 LYS 26 3.340 22.710 0.026 No H/Q in entry = 13 In of MODEL 14 1 H MET 27 H MET 27 3.221 15.413 1.000 2 HA MET 27 HA MET 27 5.702 15.901 -0.141 3 HB2 MET 27 HB2 MET 27 4.361 13.213 0.184 4 HB3 MET 27 HB3 MET 27 6.080 13.485 -0.051 5 HG2 MET 27 HG2 MET 27 5.731 14.983 2.120 6 HG3 MET 27 HG3 MET 27 4.407 13.844 2.358 7 HE1 MET 27 HE1 MET 27 5.754 11.352 0.782 8 HE2 MET 27 HE2 MET 27 6.520 10.435 2.081 9 HE3 MET 27 HE3 MET 27 4.885 11.072 2.291 No H/Q in entry = 9 In of MODEL 14 1 H LYS 28 H LYS 28 2.957 14.075 -1.589 2 HA LYS 28 HA LYS 28 4.239 13.382 -3.972 3 HB2 LYS 28 HB2 LYS 28 2.174 12.350 -3.189 4 HB3 LYS 28 HB3 LYS 28 1.317 13.872 -3.375 5 HG2 LYS 28 HG2 LYS 28 0.773 12.408 -5.195 6 HG3 LYS 28 HG3 LYS 28 1.716 13.767 -5.801 7 HD2 LYS 28 HD2 LYS 28 3.720 12.375 -5.830 8 HD3 LYS 28 HD3 LYS 28 2.794 11.015 -5.192 9 HE2 LYS 28 HE2 LYS 28 1.385 11.033 -7.182 10 HE3 LYS 28 HE3 LYS 28 2.280 12.410 -7.817 11 HZ1 LYS 28 HZ1 LYS 28 3.439 9.735 -7.259 12 HZ2 LYS 28 HZ2 LYS 28 2.995 10.306 -8.789 13 HZ3 LYS 28 HZ3 LYS 28 4.253 11.053 -7.940 No H/Q in entry = 13 In of MODEL 14 1 H LYS 29 H LYS 29 2.268 16.205 -3.159 2 HA LYS 29 HA LYS 29 2.486 17.302 -5.772 3 HB2 LYS 29 HB2 LYS 29 1.523 18.522 -3.192 4 HB3 LYS 29 HB3 LYS 29 1.377 19.288 -4.770 5 HG2 LYS 29 HG2 LYS 29 -0.015 17.494 -5.565 6 HG3 LYS 29 HG3 LYS 29 0.217 16.603 -4.063 7 HD2 LYS 29 HD2 LYS 29 -0.888 18.477 -2.856 8 HD3 LYS 29 HD3 LYS 29 -1.226 19.224 -4.420 9 HE2 LYS 29 HE2 LYS 29 -2.166 16.505 -3.514 10 HE3 LYS 29 HE3 LYS 29 -3.155 17.961 -3.610 11 HZ1 LYS 29 HZ1 LYS 29 -1.794 16.712 -5.932 12 HZ2 LYS 29 HZ2 LYS 29 -3.419 16.452 -5.533 13 HZ3 LYS 29 HZ3 LYS 29 -2.890 17.998 -5.973 No H/Q in entry = 13 In of MODEL 14 1 H ASP 30 H ASP 30 4.554 17.514 -3.013 2 HA ASP 30 HA ASP 30 5.805 19.939 -4.009 3 HB2 ASP 30 HB2 ASP 30 5.598 19.482 -1.543 4 HB3 ASP 30 HB3 ASP 30 6.738 18.156 -1.742 No H/Q in entry = 4 In of MODEL 14 1 H GLY 31 H GLY 31 5.816 16.865 -4.925 2 HA2 GLY 31 HA2 GLY 31 8.271 17.305 -6.418 3 HA3 GLY 31 HA3 GLY 31 7.020 16.128 -6.792 No H/Q in entry = 3 In of MODEL 14 1 H LYS 32 H LYS 32 7.125 15.342 -3.837 2 HA LYS 32 HA LYS 32 9.628 14.017 -3.571 3 HB2 LYS 32 HB2 LYS 32 6.969 13.459 -2.235 4 HB3 LYS 32 HB3 LYS 32 8.495 12.709 -1.788 5 HG2 LYS 32 HG2 LYS 32 7.793 15.630 -1.579 6 HG3 LYS 32 HG3 LYS 32 7.982 14.487 -0.250 7 HD2 LYS 32 HD2 LYS 32 10.345 14.209 -0.829 8 HD3 LYS 32 HD3 LYS 32 10.153 15.349 -2.161 9 HE2 LYS 32 HE2 LYS 32 9.470 17.073 -0.510 10 HE3 LYS 32 HE3 LYS 32 9.834 15.927 0.780 11 HZ1 LYS 32 HZ1 LYS 32 11.771 16.951 -1.221 12 HZ2 LYS 32 HZ2 LYS 32 11.677 17.436 0.395 13 HZ3 LYS 32 HZ3 LYS 32 12.128 15.852 0.014 No H/Q in entry = 13 In of MODEL 14 1 H ALA 33 H ALA 33 10.012 11.821 -3.817 2 HA ALA 33 HA ALA 33 8.880 10.736 -6.225 3 HB1 ALA 33 HB1 ALA 33 11.269 10.497 -5.719 4 HB2 ALA 33 HB2 ALA 33 10.491 8.927 -5.927 5 HB3 ALA 33 HB3 ALA 33 10.866 9.515 -4.307 No H/Q in entry = 5 In of MODEL 14 1 H LYS 34 H LYS 34 7.715 8.785 -6.435 2 HA LYS 34 HA LYS 34 5.772 8.150 -4.594 3 HB2 LYS 34 HB2 LYS 34 5.458 6.058 -5.787 4 HB3 LYS 34 HB3 LYS 34 5.703 7.392 -6.905 5 HG2 LYS 34 HG2 LYS 34 8.145 6.010 -6.130 6 HG3 LYS 34 HG3 LYS 34 6.986 5.017 -6.999 7 HD2 LYS 34 HD2 LYS 34 7.861 7.725 -7.967 8 HD3 LYS 34 HD3 LYS 34 8.700 6.240 -8.414 9 HE2 LYS 34 HE2 LYS 34 5.759 6.708 -8.868 10 HE3 LYS 34 HE3 LYS 34 7.001 7.039 -10.074 11 HZ1 LYS 34 HZ1 LYS 34 6.655 4.377 -8.809 12 HZ2 LYS 34 HZ2 LYS 34 5.878 4.822 -10.249 13 HZ3 LYS 34 HZ3 LYS 34 7.566 4.769 -10.181 No H/Q in entry = 13 In of MODEL 14 1 H LYS 35 H LYS 35 9.048 6.966 -4.802 2 HA LYS 35 HA LYS 35 8.968 4.854 -2.994 3 HB2 LYS 35 HB2 LYS 35 10.912 5.249 -4.358 4 HB3 LYS 35 HB3 LYS 35 11.152 6.838 -3.650 5 HG2 LYS 35 HG2 LYS 35 12.781 5.307 -2.774 6 HG3 LYS 35 HG3 LYS 35 11.667 5.777 -1.491 7 HD2 LYS 35 HD2 LYS 35 10.411 3.657 -1.920 8 HD3 LYS 35 HD3 LYS 35 11.699 3.184 -3.031 9 HE2 LYS 35 HE2 LYS 35 12.100 3.857 -0.120 10 HE3 LYS 35 HE3 LYS 35 11.935 2.222 -0.751 11 HZ1 LYS 35 HZ1 LYS 35 14.060 4.124 -1.577 12 HZ2 LYS 35 HZ2 LYS 35 14.254 2.923 -0.404 13 HZ3 LYS 35 HZ3 LYS 35 13.935 2.492 -2.006 No H/Q in entry = 13 In of MODEL 14 1 H GLU 36 H GLU 36 8.741 8.279 -2.422 2 HA GLU 36 HA GLU 36 9.540 8.071 0.364 3 HB2 GLU 36 HB2 GLU 36 8.553 10.489 -1.142 4 HB3 GLU 36 HB3 GLU 36 9.404 10.471 0.398 5 HG2 GLU 36 HG2 GLU 36 11.350 9.456 -0.776 6 HG3 GLU 36 HG3 GLU 36 10.494 9.706 -2.284 No H/Q in entry = 6 In of MODEL 14 1 H LEU 37 H LEU 37 6.732 8.548 -1.636 2 HA LEU 37 HA LEU 37 4.842 8.834 0.416 3 HB2 LEU 37 HB2 LEU 37 4.728 7.787 -2.403 4 HB3 LEU 37 HB3 LEU 37 3.302 7.952 -1.401 5 HG LEU 37 HG LEU 37 3.666 9.791 -3.010 6 HD11 LEU 37 HD11 LEU 37 2.286 10.075 -1.016 7 HD12 LEU 37 HD12 LEU 37 3.714 10.596 -0.119 8 HD13 LEU 37 HD13 LEU 37 3.103 11.576 -1.452 9 HD21 LEU 37 HD21 LEU 37 5.976 10.538 -1.259 10 HD22 LEU 37 HD22 LEU 37 6.061 10.026 -2.945 11 HD23 LEU 37 HD23 LEU 37 5.277 11.547 -2.525 No H/Q in entry = 11 In of MODEL 14 1 H GLU 38 H GLU 38 6.114 6.045 -1.323 2 HA GLU 38 HA GLU 38 4.645 4.016 -0.058 3 HB2 GLU 38 HB2 GLU 38 5.966 3.612 -2.067 4 HB3 GLU 38 HB3 GLU 38 7.447 3.988 -1.200 5 HG2 GLU 38 HG2 GLU 38 6.815 2.034 0.332 6 HG3 GLU 38 HG3 GLU 38 5.678 1.588 -0.939 No H/Q in entry = 6 In of MODEL 14 1 H ALA 39 H ALA 39 7.112 6.053 1.108 2 HA ALA 39 HA ALA 39 8.096 4.158 3.076 3 HB1 ALA 39 HB1 ALA 39 8.906 7.021 2.602 4 HB2 ALA 39 HB2 ALA 39 9.739 5.843 3.615 5 HB3 ALA 39 HB3 ALA 39 9.666 5.610 1.869 No H/Q in entry = 5 In of MODEL 14 1 H LYS 40 H LYS 40 6.435 7.262 3.027 2 HA LYS 40 HA LYS 40 6.182 7.514 5.820 3 HB2 LYS 40 HB2 LYS 40 5.920 9.360 4.167 4 HB3 LYS 40 HB3 LYS 40 4.398 8.644 3.658 5 HG2 LYS 40 HG2 LYS 40 4.011 10.489 5.158 6 HG3 LYS 40 HG3 LYS 40 3.491 8.976 5.895 7 HD2 LYS 40 HD2 LYS 40 4.611 10.184 7.589 8 HD3 LYS 40 HD3 LYS 40 5.719 8.921 7.078 9 HE2 LYS 40 HE2 LYS 40 5.913 11.578 5.757 10 HE3 LYS 40 HE3 LYS 40 6.505 11.428 7.409 11 HZ1 LYS 40 HZ1 LYS 40 7.942 9.612 6.670 12 HZ2 LYS 40 HZ2 LYS 40 7.400 9.809 5.083 13 HZ3 LYS 40 HZ3 LYS 40 8.272 11.045 5.833 No H/Q in entry = 13 In of MODEL 14 1 H ILE 41 H ILE 41 4.080 6.126 3.316 2 HA ILE 41 HA ILE 41 1.958 5.449 5.047 3 HB ILE 41 HB ILE 41 2.770 4.355 2.358 4 HG12 ILE 41 HG12 ILE 41 0.526 6.217 3.148 5 HG13 ILE 41 HG13 ILE 41 2.087 6.755 2.537 6 HG21 ILE 41 HG21 ILE 41 1.467 2.683 3.568 7 HG22 ILE 41 HG22 ILE 41 0.214 3.882 3.884 8 HG23 ILE 41 HG23 ILE 41 0.544 3.365 2.230 9 HD11 ILE 41 HD11 ILE 41 0.136 5.021 1.054 10 HD12 ILE 41 HD12 ILE 41 0.378 6.752 0.812 11 HD13 ILE 41 HD13 ILE 41 1.680 5.620 0.446 No H/Q in entry = 11 In of MODEL 14 1 H LEU 42 H LEU 42 4.773 3.588 3.874 2 HA LEU 42 HA LEU 42 4.030 1.157 5.089 3 HB2 LEU 42 HB2 LEU 42 6.680 2.256 4.230 4 HB3 LEU 42 HB3 LEU 42 6.560 0.709 5.036 5 HG LEU 42 HG LEU 42 5.405 1.477 2.365 6 HD11 LEU 42 HD11 LEU 42 7.785 0.943 2.412 7 HD12 LEU 42 HD12 LEU 42 7.421 -0.600 3.183 8 HD13 LEU 42 HD13 LEU 42 6.861 -0.281 1.543 9 HD21 LEU 42 HD21 LEU 42 4.964 -1.005 4.018 10 HD22 LEU 42 HD22 LEU 42 3.742 0.102 3.387 11 HD23 LEU 42 HD23 LEU 42 4.664 -0.926 2.283 No H/Q in entry = 11 In of MODEL 14 1 H HIS 43 H HIS 43 5.865 3.914 6.275 2 HA HIS 43 HA HIS 43 6.611 2.849 8.760 3 HB2 HIS 43 HB2 HIS 43 7.391 5.041 7.792 4 HB3 HIS 43 HB3 HIS 43 5.824 5.721 8.211 5 HD1 HIS 43 HD1 HIS 43 6.734 7.383 9.925 6 HD2 HIS 43 HD2 HIS 43 7.774 3.441 10.731 7 HE1 HIS 43 HE1 HIS 43 7.738 7.406 12.229 8 HE2 HIS 43 HE2 HIS 43 8.493 5.038 12.628 No H/Q in entry = 8 In of MODEL 14 1 H TYR 44 H TYR 44 3.695 4.758 7.879 2 HA TYR 44 HA TYR 44 2.377 4.590 10.334 3 HB2 TYR 44 HB2 TYR 44 1.240 4.658 7.533 4 HB3 TYR 44 HB3 TYR 44 0.292 4.902 8.991 5 HD1 TYR 44 HD1 TYR 44 2.420 6.524 10.473 6 HD2 TYR 44 HD2 TYR 44 0.841 6.766 6.537 7 HE1 TYR 44 HE1 TYR 44 2.967 8.912 10.409 8 HE2 TYR 44 HE2 TYR 44 1.384 9.145 6.453 9 HH TYR 44 HH TYR 44 3.386 10.668 8.768 No H/Q in entry = 9 In of MODEL 14 1 H TYR 45 H TYR 45 2.221 2.528 7.499 2 HA TYR 45 HA TYR 45 0.279 0.727 8.274 3 HB2 TYR 45 HB2 TYR 45 1.065 0.904 5.994 4 HB3 TYR 45 HB3 TYR 45 2.682 0.417 6.476 5 HD1 TYR 45 HD1 TYR 45 -0.788 -0.916 6.768 6 HD2 TYR 45 HD2 TYR 45 3.306 -1.667 5.948 7 HE1 TYR 45 HE1 TYR 45 -1.324 -3.266 6.296 8 HE2 TYR 45 HE2 TYR 45 2.792 -4.013 5.467 9 HH TYR 45 HH TYR 45 -0.303 -5.150 4.951 No H/Q in entry = 9 In of MODEL 14 1 H ASP 46 H ASP 46 3.798 0.572 8.757 2 HA ASP 46 HA ASP 46 3.580 -2.055 9.929 3 HB2 ASP 46 HB2 ASP 46 5.540 -1.093 8.515 4 HB3 ASP 46 HB3 ASP 46 6.068 -0.369 10.030 No H/Q in entry = 4 In of MODEL 14 1 H GLU 47 H GLU 47 3.250 1.106 11.076 2 HA GLU 47 HA GLU 47 3.918 0.374 13.814 3 HB2 GLU 47 HB2 GLU 47 2.882 2.925 12.584 4 HB3 GLU 47 HB3 GLU 47 3.059 2.701 14.316 5 HG2 GLU 47 HG2 GLU 47 5.489 2.183 13.875 6 HG3 GLU 47 HG3 GLU 47 5.214 2.759 12.231 No H/Q in entry = 6 In of MODEL 14 1 H LEU 48 H LEU 48 1.342 0.068 11.704 2 HA LEU 48 HA LEU 48 -0.785 0.384 13.563 3 HB2 LEU 48 HB2 LEU 48 -0.533 -0.731 10.798 4 HB3 LEU 48 HB3 LEU 48 -1.990 -1.009 11.731 5 HG LEU 48 HG LEU 48 -0.917 1.737 11.092 6 HD11 LEU 48 HD11 LEU 48 -1.511 0.510 9.062 7 HD12 LEU 48 HD12 LEU 48 -3.082 0.129 9.763 8 HD13 LEU 48 HD13 LEU 48 -2.666 1.802 9.396 9 HD21 LEU 48 HD21 LEU 48 -2.383 1.609 13.055 10 HD22 LEU 48 HD22 LEU 48 -3.169 2.443 11.712 11 HD23 LEU 48 HD23 LEU 48 -3.597 0.772 12.082 No H/Q in entry = 11 In of MODEL 14 1 H GLU 49 H GLU 49 -2.066 -1.238 14.291 2 HA GLU 49 HA GLU 49 -1.161 -3.994 14.202 3 HB2 GLU 49 HB2 GLU 49 -1.149 -4.182 16.673 4 HB3 GLU 49 HB3 GLU 49 0.123 -3.142 16.048 5 HG2 GLU 49 HG2 GLU 49 -1.329 -1.188 16.553 6 HG3 GLU 49 HG3 GLU 49 -2.451 -2.295 17.341 No H/Q in entry = 6 In of MODEL 14 1 H GLY 50 H GLY 50 -2.677 -5.447 15.416 2 HA2 GLY 50 HA2 GLY 50 -5.182 -4.570 16.347 3 HA3 GLY 50 HA3 GLY 50 -4.774 -6.220 15.909 No H/Q in entry = 3 In of MODEL 14 1 H ASP 51 H ASP 51 -7.217 -4.648 15.503 2 HA ASP 51 HA ASP 51 -7.942 -5.596 12.961 3 HB2 ASP 51 HB2 ASP 51 -9.264 -3.493 14.693 4 HB3 ASP 51 HB3 ASP 51 -10.002 -4.226 13.271 No H/Q in entry = 4 In of MODEL 14 1 H ALA 52 H ALA 52 -6.760 -2.448 14.033 2 HA ALA 52 HA ALA 52 -7.425 -0.992 11.718 3 HB1 ALA 52 HB1 ALA 52 -5.032 -0.558 13.495 4 HB2 ALA 52 HB2 ALA 52 -5.769 0.609 12.396 5 HB3 ALA 52 HB3 ALA 52 -6.658 0.049 13.812 No H/Q in entry = 5 In of MODEL 14 1 H LYS 53 H LYS 53 -4.538 -2.808 12.588 2 HA LYS 53 HA LYS 53 -3.060 -2.236 10.248 3 HB2 LYS 53 HB2 LYS 53 -2.329 -3.264 12.555 4 HB3 LYS 53 HB3 LYS 53 -2.741 -4.792 11.794 5 HG2 LYS 53 HG2 LYS 53 -0.851 -2.877 10.480 6 HG3 LYS 53 HG3 LYS 53 -0.306 -3.988 11.734 7 HD2 LYS 53 HD2 LYS 53 -1.029 -5.880 10.420 8 HD3 LYS 53 HD3 LYS 53 -1.705 -4.805 9.196 9 HE2 LYS 53 HE2 LYS 53 0.529 -3.923 8.733 10 HE3 LYS 53 HE3 LYS 53 1.204 -4.979 9.966 11 HZ1 LYS 53 HZ1 LYS 53 0.480 -6.889 8.684 12 HZ2 LYS 53 HZ2 LYS 53 -0.174 -5.876 7.497 13 HZ3 LYS 53 HZ3 LYS 53 1.497 -5.903 7.764 No H/Q in entry = 13 In of MODEL 14 1 H LYS 54 H LYS 54 -4.954 -5.042 11.271 2 HA LYS 54 HA LYS 54 -4.964 -6.598 9.073 3 HB2 LYS 54 HB2 LYS 54 -6.046 -7.128 11.178 4 HB3 LYS 54 HB3 LYS 54 -7.261 -5.888 10.884 5 HG2 LYS 54 HG2 LYS 54 -8.074 -7.087 8.972 6 HG3 LYS 54 HG3 LYS 54 -6.786 -8.277 9.186 7 HD2 LYS 54 HD2 LYS 54 -7.677 -9.003 11.263 8 HD3 LYS 54 HD3 LYS 54 -8.842 -7.682 11.286 9 HE2 LYS 54 HE2 LYS 54 -9.937 -8.639 9.305 10 HE3 LYS 54 HE3 LYS 54 -8.789 -9.977 9.332 11 HZ1 LYS 54 HZ1 LYS 54 -10.646 -9.319 11.549 12 HZ2 LYS 54 HZ2 LYS 54 -10.934 -10.510 10.384 13 HZ3 LYS 54 HZ3 LYS 54 -9.631 -10.665 11.450 No H/Q in entry = 13 In of MODEL 14 1 H GLU 55 H GLU 55 -7.160 -3.876 9.756 2 HA GLU 55 HA GLU 55 -8.584 -4.040 7.350 3 HB2 GLU 55 HB2 GLU 55 -8.215 -1.931 9.475 4 HB3 GLU 55 HB3 GLU 55 -9.139 -1.574 8.023 5 HG2 GLU 55 HG2 GLU 55 -10.589 -3.533 8.549 6 HG3 GLU 55 HG3 GLU 55 -9.724 -3.685 10.075 No H/Q in entry = 6 In of MODEL 14 1 H ALA 56 H ALA 56 -5.895 -1.903 8.332 2 HA ALA 56 HA ALA 56 -5.800 -0.539 5.909 3 HB1 ALA 56 HB1 ALA 56 -3.554 0.168 6.547 4 HB2 ALA 56 HB2 ALA 56 -3.457 -1.135 7.730 5 HB3 ALA 56 HB3 ALA 56 -4.603 0.185 7.967 No H/Q in entry = 5 In of MODEL 14 1 H THR 57 H THR 57 -3.956 -3.357 7.003 2 HA THR 57 HA THR 57 -2.450 -3.928 4.785 3 HB THR 57 HB THR 57 -3.884 -5.887 6.593 4 HG1 THR 57 HG1 THR 57 -2.539 -4.579 7.783 5 HG21 THR 57 HG21 THR 57 -1.528 -6.279 4.755 6 HG22 THR 57 HG22 THR 57 -2.066 -7.443 5.964 7 HG23 THR 57 HG23 THR 57 -3.118 -7.022 4.612 No H/Q in entry = 7 In of MODEL 14 1 H GLU 58 H GLU 58 -5.762 -4.946 5.453 2 HA GLU 58 HA GLU 58 -6.220 -6.385 3.075 3 HB2 GLU 58 HB2 GLU 58 -7.885 -5.225 5.241 4 HB3 GLU 58 HB3 GLU 58 -8.694 -5.605 3.724 5 HG2 GLU 58 HG2 GLU 58 -7.854 -7.907 3.888 6 HG3 GLU 58 HG3 GLU 58 -7.113 -7.501 5.435 No H/Q in entry = 6 In of MODEL 14 1 H HIS 59 H HIS 59 -6.381 -2.943 3.777 2 HA HIS 59 HA HIS 59 -7.804 -2.320 1.357 3 HB2 HIS 59 HB2 HIS 59 -6.378 -0.634 3.404 4 HB3 HIS 59 HB3 HIS 59 -6.994 0.063 1.911 5 HD1 HIS 59 HD1 HIS 59 -9.732 -0.910 1.608 6 HD2 HIS 59 HD2 HIS 59 -8.144 -0.138 5.367 7 HE1 HIS 59 HE1 HIS 59 -11.710 -0.545 3.114 8 HE2 HIS 59 HE2 HIS 59 -10.722 -0.304 5.418 No H/Q in entry = 8 In of MODEL 14 1 H LEU 60 H LEU 60 -4.444 -1.908 2.470 2 HA LEU 60 HA LEU 60 -3.366 -1.156 0.048 3 HB2 LEU 60 HB2 LEU 60 -2.242 -2.525 2.456 4 HB3 LEU 60 HB3 LEU 60 -1.250 -2.235 1.036 5 HG LEU 60 HG LEU 60 -1.885 0.164 1.218 6 HD11 LEU 60 HD11 LEU 60 -3.847 -0.044 2.536 7 HD12 LEU 60 HD12 LEU 60 -2.886 -0.600 3.910 8 HD13 LEU 60 HD13 LEU 60 -2.679 1.045 3.294 9 HD21 LEU 60 HD21 LEU 60 -0.350 -1.025 3.508 10 HD22 LEU 60 HD22 LEU 60 0.300 -0.609 1.922 11 HD23 LEU 60 HD23 LEU 60 -0.274 0.662 3.001 No H/Q in entry = 11 In of MODEL 14 1 H LYS 61 H LYS 61 -4.172 -4.371 1.272 2 HA LYS 61 HA LYS 61 -2.833 -5.863 -0.709 3 HB2 LYS 61 HB2 LYS 61 -5.147 -6.401 1.112 4 HB3 LYS 61 HB3 LYS 61 -4.810 -7.526 -0.197 5 HG2 LYS 61 HG2 LYS 61 -2.616 -7.964 0.668 6 HG3 LYS 61 HG3 LYS 61 -2.804 -6.708 1.891 7 HD2 LYS 61 HD2 LYS 61 -4.539 -7.959 2.989 8 HD3 LYS 61 HD3 LYS 61 -4.553 -9.155 1.693 9 HE2 LYS 61 HE2 LYS 61 -2.357 -9.908 2.275 10 HE3 LYS 61 HE3 LYS 61 -2.154 -8.589 3.425 11 HZ1 LYS 61 HZ1 LYS 61 -4.163 -10.760 3.673 12 HZ2 LYS 61 HZ2 LYS 61 -2.687 -10.709 4.493 13 HZ3 LYS 61 HZ3 LYS 61 -3.865 -9.538 4.803 No H/Q in entry = 13 In of MODEL 14 1 H GLY 62 H GLY 62 -6.233 -4.798 -0.507 2 HA2 GLY 62 HA2 GLY 62 -7.724 -4.259 -2.166 3 HA3 GLY 62 HA3 GLY 62 -6.998 -5.569 -3.087 No H/Q in entry = 3 In of MODEL 14 1 H GLY 63 H GLY 63 -5.520 -2.562 -1.931 2 HA2 GLY 63 HA2 GLY 63 -4.384 -0.912 -3.036 3 HA3 GLY 63 HA3 GLY 63 -5.532 -1.146 -4.347 No H/Q in entry = 3 In of MODEL 14 1 H CYS 64 H CYS 64 -2.972 -3.198 -2.973 2 HA CYS 64 HA CYS 64 -1.279 -2.944 -5.236 3 HB2 CYS 64 HB2 CYS 64 -0.359 -3.539 -3.074 4 HB3 CYS 64 HB3 CYS 64 -1.336 -5.005 -3.026 No H/Q in entry = 4 In of MODEL 14 1 H ARG 65 H ARG 65 -3.874 -5.112 -4.368 2 HA ARG 65 HA ARG 65 -3.460 -7.039 -6.387 3 HB2 ARG 65 HB2 ARG 65 -4.979 -7.280 -4.410 4 HB3 ARG 65 HB3 ARG 65 -6.094 -6.176 -5.195 5 HG2 ARG 65 HG2 ARG 65 -6.428 -7.730 -7.009 6 HG3 ARG 65 HG3 ARG 65 -5.208 -8.815 -6.337 7 HD2 ARG 65 HD2 ARG 65 -7.840 -8.052 -5.076 8 HD3 ARG 65 HD3 ARG 65 -7.418 -9.620 -5.766 9 HE ARG 65 HE ARG 65 -5.526 -9.313 -3.882 10 HH11 ARG 65 HH11 ARG 65 -9.009 -8.945 -3.773 11 HH12 ARG 65 HH12 ARG 65 -9.125 -9.370 -2.092 12 HH21 ARG 65 HH21 ARG 65 -5.689 -9.892 -1.672 13 HH22 ARG 65 HH22 ARG 65 -7.245 -9.908 -0.904 No H/Q in entry = 13 In of MODEL 14 1 H GLU 66 H GLU 66 -5.136 -3.931 -6.332 2 HA GLU 66 HA GLU 66 -6.196 -3.950 -8.929 3 HB2 GLU 66 HB2 GLU 66 -5.054 -1.654 -7.322 4 HB3 GLU 66 HB3 GLU 66 -5.963 -1.464 -8.812 5 HG2 GLU 66 HG2 GLU 66 -7.053 -2.795 -6.357 6 HG3 GLU 66 HG3 GLU 66 -7.250 -1.082 -6.711 No H/Q in entry = 6 In of MODEL 14 1 H ILE 67 H ILE 67 -3.039 -2.920 -7.707 2 HA ILE 67 HA ILE 67 -1.827 -2.257 -10.139 3 HB ILE 67 HB ILE 67 -0.555 -3.491 -7.689 4 HG12 ILE 67 HG12 ILE 67 -0.846 -0.591 -8.491 5 HG13 ILE 67 HG13 ILE 67 -1.815 -1.399 -7.263 6 HG21 ILE 67 HG21 ILE 67 0.896 -3.666 -9.635 7 HG22 ILE 67 HG22 ILE 67 0.696 -1.944 -9.954 8 HG23 ILE 67 HG23 ILE 67 1.526 -2.479 -8.494 9 HD11 ILE 67 HD11 ILE 67 0.215 -1.791 -5.950 10 HD12 ILE 67 HD12 ILE 67 1.154 -0.938 -7.174 11 HD13 ILE 67 HD13 ILE 67 -0.075 -0.078 -6.247 No H/Q in entry = 11 In of MODEL 14 1 H LEU 68 H LEU 68 -2.001 -5.335 -8.418 2 HA LEU 68 HA LEU 68 -0.523 -6.855 -10.249 3 HB2 LEU 68 HB2 LEU 68 -1.156 -7.480 -7.896 4 HB3 LEU 68 HB3 LEU 68 -2.762 -7.846 -8.496 5 HG LEU 68 HG LEU 68 -1.825 -9.587 -9.954 6 HD11 LEU 68 HD11 LEU 68 0.792 -8.881 -8.636 7 HD12 LEU 68 HD12 LEU 68 0.514 -10.256 -9.703 8 HD13 LEU 68 HD13 LEU 68 0.374 -8.611 -10.329 9 HD21 LEU 68 HD21 LEU 68 -2.595 -10.179 -7.717 10 HD22 LEU 68 HD22 LEU 68 -1.220 -11.172 -8.199 11 HD23 LEU 68 HD23 LEU 68 -0.991 -9.839 -7.068 No H/Q in entry = 11 In of MODEL 14 1 H LYS 69 H LYS 69 -3.595 -5.467 -10.494 2 HA LYS 69 HA LYS 69 -4.773 -7.552 -12.099 3 HB2 LYS 69 HB2 LYS 69 -5.727 -4.918 -11.063 4 HB3 LYS 69 HB3 LYS 69 -6.572 -5.650 -12.418 5 HG2 LYS 69 HG2 LYS 69 -6.124 -6.946 -9.736 6 HG3 LYS 69 HG3 LYS 69 -7.619 -6.177 -10.272 7 HD2 LYS 69 HD2 LYS 69 -7.663 -7.799 -12.182 8 HD3 LYS 69 HD3 LYS 69 -6.305 -8.632 -11.427 9 HE2 LYS 69 HE2 LYS 69 -8.362 -9.744 -10.838 10 HE3 LYS 69 HE3 LYS 69 -7.675 -8.975 -9.408 11 HZ1 LYS 69 HZ1 LYS 69 -9.837 -7.799 -11.064 12 HZ2 LYS 69 HZ2 LYS 69 -10.090 -8.657 -9.629 13 HZ3 LYS 69 HZ3 LYS 69 -9.245 -7.193 -9.602 No H/Q in entry = 13 In of MODEL 14 1 H HIS 70 H HIS 70 -2.719 -4.921 -12.756 2 HA HIS 70 HA HIS 70 -3.600 -4.928 -15.560 3 HB2 HIS 70 HB2 HIS 70 -1.528 -2.973 -15.049 4 HB3 HIS 70 HB3 HIS 70 -3.102 -2.756 -15.791 5 HD1 HIS 70 HD1 HIS 70 -5.023 -1.932 -14.265 6 HD2 HIS 70 HD2 HIS 70 -1.300 -2.237 -12.413 7 HE1 HIS 70 HE1 HIS 70 -5.227 -0.600 -12.150 8 HE2 HIS 70 HE2 HIS 70 -3.045 -0.959 -10.952 No H/Q in entry = 8 In of MODEL 14 1 H VAL 71 H VAL 71 -1.022 -5.083 -13.283 2 HA VAL 71 HA VAL 71 1.098 -5.207 -15.084 3 HB VAL 71 HB VAL 71 0.923 -4.505 -12.591 4 HG11 VAL 71 HG11 VAL 71 0.302 -6.730 -11.803 5 HG12 VAL 71 HG12 VAL 71 1.931 -7.272 -12.197 6 HG13 VAL 71 HG13 VAL 71 1.696 -6.003 -10.989 7 HG21 VAL 71 HG21 VAL 71 3.285 -5.850 -13.784 8 HG22 VAL 71 HG22 VAL 71 2.840 -4.143 -13.846 9 HG23 VAL 71 HG23 VAL 71 3.319 -4.876 -12.319 No H/Q in entry = 9 In of MODEL 14 1 H VAL 72 H VAL 72 -0.484 -7.773 -13.180 2 HA VAL 72 HA VAL 72 0.794 -9.695 -14.989 3 HB VAL 72 HB VAL 72 0.696 -9.855 -12.336 4 HG11 VAL 72 HG11 VAL 72 -1.828 -11.219 -13.199 5 HG12 VAL 72 HG12 VAL 72 -1.028 -11.500 -11.654 6 HG13 VAL 72 HG13 VAL 72 -1.659 -9.898 -12.046 7 HG21 VAL 72 HG21 VAL 72 0.551 -12.100 -14.302 8 HG22 VAL 72 HG22 VAL 72 1.986 -11.323 -13.639 9 HG23 VAL 72 HG23 VAL 72 0.966 -12.319 -12.600 No H/Q in entry = 9 In of MODEL 14 1 H GLY 73 H GLY 73 -1.939 -7.943 -14.701 2 HA2 GLY 73 HA2 GLY 73 -3.393 -9.489 -16.619 3 HA3 GLY 73 HA3 GLY 73 -3.912 -7.980 -15.882 No H/Q in entry = 3 In of MODEL 14 1 H GLU 74 H GLU 74 -6.024 -9.044 -15.796 2 HA GLU 74 HA GLU 74 -6.585 -10.197 -13.291 3 HB2 GLU 74 HB2 GLU 74 -8.283 -9.012 -14.631 4 HB3 GLU 74 HB3 GLU 74 -8.244 -10.306 -15.821 5 HG2 GLU 74 HG2 GLU 74 -9.112 -11.874 -14.206 6 HG3 GLU 74 HG3 GLU 74 -9.050 -10.647 -12.942 No H/Q in entry = 6 In of MODEL 14 1 H GLU 75 H GLU 75 -5.657 -11.507 -16.346 2 HA GLU 75 HA GLU 75 -6.280 -14.162 -16.295 3 HB2 GLU 75 HB2 GLU 75 -5.073 -13.266 -18.131 4 HB3 GLU 75 HB3 GLU 75 -3.740 -12.760 -17.102 5 HG2 GLU 75 HG2 GLU 75 -3.137 -15.079 -16.712 6 HG3 GLU 75 HG3 GLU 75 -4.495 -15.608 -17.712 No H/Q in entry = 6 In of MODEL 14 1 H LYS 76 H LYS 76 -3.193 -12.959 -14.939 2 HA LYS 76 HA LYS 76 -2.743 -15.524 -13.771 3 HB2 LYS 76 HB2 LYS 76 -1.171 -12.953 -13.557 4 HB3 LYS 76 HB3 LYS 76 -0.645 -14.517 -12.973 5 HG2 LYS 76 HG2 LYS 76 -1.188 -13.804 -15.840 6 HG3 LYS 76 HG3 LYS 76 0.397 -14.015 -15.096 7 HD2 LYS 76 HD2 LYS 76 -1.715 -16.147 -15.406 8 HD3 LYS 76 HD3 LYS 76 -0.251 -15.994 -16.372 9 HE2 LYS 76 HE2 LYS 76 1.114 -16.360 -14.390 10 HE3 LYS 76 HE3 LYS 76 -0.334 -16.453 -13.394 11 HZ1 LYS 76 HZ1 LYS 76 -1.024 -18.394 -14.726 12 HZ2 LYS 76 HZ2 LYS 76 0.466 -18.344 -15.533 13 HZ3 LYS 76 HZ3 LYS 76 0.417 -18.652 -13.874 No H/Q in entry = 13 In of MODEL 14 1 H ALA 77 H ALA 77 -3.680 -12.345 -12.600 2 HA ALA 77 HA ALA 77 -3.447 -12.848 -9.848 3 HB1 ALA 77 HB1 ALA 77 -5.004 -10.989 -9.548 4 HB2 ALA 77 HB2 ALA 77 -3.833 -10.596 -10.807 5 HB3 ALA 77 HB3 ALA 77 -5.473 -11.078 -11.244 No H/Q in entry = 5 In of MODEL 14 1 H ALA 78 H ALA 78 -5.869 -13.717 -12.210 2 HA ALA 78 HA ALA 78 -7.893 -14.610 -10.450 3 HB1 ALA 78 HB1 ALA 78 -8.525 -14.237 -12.683 4 HB2 ALA 78 HB2 ALA 78 -8.571 -15.990 -12.495 5 HB3 ALA 78 HB3 ALA 78 -7.206 -15.223 -13.316 No H/Q in entry = 5 In of MODEL 14 1 H GLU 79 H GLU 79 -5.036 -16.126 -11.827 2 HA GLU 79 HA GLU 79 -5.739 -18.761 -10.909 3 HB2 GLU 79 HB2 GLU 79 -3.021 -17.815 -11.820 4 HB3 GLU 79 HB3 GLU 79 -3.625 -19.466 -11.790 5 HG2 GLU 79 HG2 GLU 79 -5.393 -18.643 -13.441 6 HG3 GLU 79 HG3 GLU 79 -4.353 -17.235 -13.637 No H/Q in entry = 6 In of MODEL 14 1 H LEU 80 H LEU 80 -3.878 -16.066 -9.729 2 HA LEU 80 HA LEU 80 -2.621 -17.522 -7.611 3 HB2 LEU 80 HB2 LEU 80 -2.969 -14.570 -8.115 4 HB3 LEU 80 HB3 LEU 80 -1.971 -15.250 -6.839 5 HG LEU 80 HG LEU 80 -1.533 -15.907 -9.741 6 HD11 LEU 80 HD11 LEU 80 -0.299 -13.696 -8.117 7 HD12 LEU 80 HD12 LEU 80 0.295 -14.255 -9.685 8 HD13 LEU 80 HD13 LEU 80 -1.310 -13.532 -9.555 9 HD21 LEU 80 HD21 LEU 80 -0.602 -17.444 -8.101 10 HD22 LEU 80 HD22 LEU 80 0.674 -16.564 -8.942 11 HD23 LEU 80 HD23 LEU 80 0.220 -16.106 -7.302 No H/Q in entry = 11 In of MODEL 14 1 H LYS 81 H LYS 81 -5.470 -15.490 -7.954 2 HA LYS 81 HA LYS 81 -6.147 -15.418 -5.212 3 HB2 LYS 81 HB2 LYS 81 -7.057 -14.012 -7.207 4 HB3 LYS 81 HB3 LYS 81 -8.180 -15.345 -7.431 5 HG2 LYS 81 HG2 LYS 81 -7.902 -13.838 -4.843 6 HG3 LYS 81 HG3 LYS 81 -9.048 -13.398 -6.109 7 HD2 LYS 81 HD2 LYS 81 -10.109 -15.580 -5.923 8 HD3 LYS 81 HD3 LYS 81 -8.940 -16.058 -4.691 9 HE2 LYS 81 HE2 LYS 81 -9.755 -14.269 -3.234 10 HE3 LYS 81 HE3 LYS 81 -10.925 -13.801 -4.468 11 HZ1 LYS 81 HZ1 LYS 81 -10.820 -16.445 -3.120 12 HZ2 LYS 81 HZ2 LYS 81 -11.911 -15.201 -2.751 13 HZ3 LYS 81 HZ3 LYS 81 -11.969 -15.953 -4.264 No H/Q in entry = 13 In of MODEL 14 1 H ASN 82 H ASN 82 -7.165 -17.536 -7.892 2 HA ASN 82 HA ASN 82 -8.750 -19.241 -6.294 3 HB2 ASN 82 HB2 ASN 82 -8.897 -19.183 -8.780 4 HB3 ASN 82 HB3 ASN 82 -7.299 -19.905 -8.871 5 HD21 ASN 82 HD21 ASN 82 -9.845 -20.782 -6.580 6 HD22 ASN 82 HD22 ASN 82 -10.061 -22.386 -7.179 No H/Q in entry = 6 In of MODEL 14 1 H LEU 83 H LEU 83 -5.316 -19.303 -7.199 2 HA LEU 83 HA LEU 83 -4.628 -21.788 -6.180 3 HB2 LEU 83 HB2 LEU 83 -3.300 -19.403 -7.031 4 HB3 LEU 83 HB3 LEU 83 -2.563 -19.954 -5.546 5 HG LEU 83 HG LEU 83 -2.962 -21.782 -7.896 6 HD11 LEU 83 HD11 LEU 83 -0.566 -20.058 -7.278 7 HD12 LEU 83 HD12 LEU 83 -0.630 -21.326 -8.504 8 HD13 LEU 83 HD13 LEU 83 -1.642 -19.889 -8.666 9 HD21 LEU 83 HD21 LEU 83 -2.521 -22.800 -5.694 10 HD22 LEU 83 HD22 LEU 83 -1.226 -23.091 -6.855 11 HD23 LEU 83 HD23 LEU 83 -1.022 -21.876 -5.596 No H/Q in entry = 11 In of MODEL 14 1 H LYS 84 H LYS 84 -4.873 -18.653 -4.579 2 HA LYS 84 HA LYS 84 -3.927 -19.383 -2.053 3 HB2 LYS 84 HB2 LYS 84 -4.218 -17.063 -2.666 4 HB3 LYS 84 HB3 LYS 84 -5.950 -17.289 -2.855 5 HG2 LYS 84 HG2 LYS 84 -6.126 -17.775 -0.449 6 HG3 LYS 84 HG3 LYS 84 -4.398 -17.457 -0.283 7 HD2 LYS 84 HD2 LYS 84 -4.700 -15.173 -0.978 8 HD3 LYS 84 HD3 LYS 84 -6.401 -15.468 -1.343 9 HE2 LYS 84 HE2 LYS 84 -6.780 -15.998 1.041 10 HE3 LYS 84 HE3 LYS 84 -5.099 -15.590 1.373 11 HZ1 LYS 84 HZ1 LYS 84 -7.135 -13.736 0.271 12 HZ2 LYS 84 HZ2 LYS 84 -6.577 -13.750 1.866 13 HZ3 LYS 84 HZ3 LYS 84 -5.527 -13.345 0.606 No H/Q in entry = 13 In of MODEL 14 1 H ASP 85 H ASP 85 -7.324 -19.156 -3.163 2 HA ASP 85 HA ASP 85 -8.380 -20.257 -0.775 3 HB2 ASP 85 HB2 ASP 85 -9.529 -19.787 -3.511 4 HB3 ASP 85 HB3 ASP 85 -10.460 -20.610 -2.261 No H/Q in entry = 4 In of MODEL 14 1 H SER 86 H SER 86 -6.998 -21.737 -3.572 2 HA SER 86 HA SER 86 -8.199 -24.312 -3.075 3 HB2 SER 86 HB2 SER 86 -5.830 -23.562 -4.810 4 HB3 SER 86 HB3 SER 86 -6.618 -25.141 -4.785 5 HG SER 86 HG SER 86 -7.712 -22.653 -5.605 No H/Q in entry = 5 In of MODEL 14 1 H GLY 87 H GLY 87 -5.682 -22.519 -1.706 2 HA2 GLY 87 HA2 GLY 87 -4.704 -24.971 -0.374 3 HA3 GLY 87 HA3 GLY 87 -5.096 -23.507 0.511 No H/Q in entry = 3 In of MODEL 14 1 H ALA 88 H ALA 88 -3.726 -22.365 -2.246 2 HA ALA 88 HA ALA 88 -1.067 -22.963 -2.105 3 HB1 ALA 88 HB1 ALA 88 -2.204 -20.250 -2.751 4 HB2 ALA 88 HB2 ALA 88 -2.057 -21.600 -3.878 5 HB3 ALA 88 HB3 ALA 88 -0.611 -20.848 -3.202 No H/Q in entry = 5 In of MODEL 14 1 H SER 89 H SER 89 0.372 -22.649 -0.589 2 HA SER 89 HA SER 89 -0.045 -21.150 1.791 3 HB2 SER 89 HB2 SER 89 1.392 -23.154 1.740 4 HB3 SER 89 HB3 SER 89 2.521 -22.322 0.673 5 HG SER 89 HG SER 89 2.301 -22.219 3.367 No H/Q in entry = 5 In of MODEL 14 1 H LYS 90 H LYS 90 1.476 -19.407 2.518 2 HA LYS 90 HA LYS 90 1.413 -17.188 0.846 3 HB2 LYS 90 HB2 LYS 90 3.101 -17.819 3.259 4 HB3 LYS 90 HB3 LYS 90 3.193 -16.268 2.437 5 HG2 LYS 90 HG2 LYS 90 0.862 -15.843 2.891 6 HG3 LYS 90 HG3 LYS 90 0.681 -17.440 3.612 7 HD2 LYS 90 HD2 LYS 90 2.537 -15.303 4.651 8 HD3 LYS 90 HD3 LYS 90 0.910 -15.591 5.264 9 HE2 LYS 90 HE2 LYS 90 1.577 -17.917 5.810 10 HE3 LYS 90 HE3 LYS 90 3.220 -17.526 5.307 11 HZ1 LYS 90 HZ1 LYS 90 3.286 -15.822 7.033 12 HZ2 LYS 90 HZ2 LYS 90 1.726 -16.249 7.532 13 HZ3 LYS 90 HZ3 LYS 90 3.002 -17.352 7.688 No H/Q in entry = 13 In of MODEL 14 1 H GLU 91 H GLU 91 3.721 -19.758 1.028 2 HA GLU 91 HA GLU 91 5.848 -18.388 -0.282 3 HB2 GLU 91 HB2 GLU 91 5.341 -21.344 0.068 4 HB3 GLU 91 HB3 GLU 91 6.842 -20.638 -0.515 5 HG2 GLU 91 HG2 GLU 91 7.094 -19.454 1.620 6 HG3 GLU 91 HG3 GLU 91 5.618 -20.226 2.203 No H/Q in entry = 6 In of MODEL 14 1 H GLU 92 H GLU 92 3.182 -20.397 -1.394 2 HA GLU 92 HA GLU 92 4.090 -20.815 -4.040 3 HB2 GLU 92 HB2 GLU 92 1.253 -20.756 -3.011 4 HB3 GLU 92 HB3 GLU 92 1.847 -21.590 -4.430 5 HG2 GLU 92 HG2 GLU 92 2.789 -22.253 -1.674 6 HG3 GLU 92 HG3 GLU 92 1.362 -22.986 -2.393 No H/Q in entry = 6 In of MODEL 14 1 H LEU 93 H LEU 93 2.112 -18.469 -2.363 2 HA LEU 93 HA LEU 93 1.658 -16.796 -4.627 3 HB2 LEU 93 HB2 LEU 93 1.627 -16.319 -1.646 4 HB3 LEU 93 HB3 LEU 93 1.329 -15.021 -2.784 5 HG LEU 93 HG LEU 93 -0.684 -16.209 -1.712 6 HD11 LEU 93 HD11 LEU 93 -0.529 -15.894 -4.708 7 HD12 LEU 93 HD12 LEU 93 -2.017 -15.964 -3.766 8 HD13 LEU 93 HD13 LEU 93 -0.897 -14.619 -3.547 9 HD21 LEU 93 HD21 LEU 93 -0.012 -18.245 -3.813 10 HD22 LEU 93 HD22 LEU 93 -0.023 -18.498 -2.068 11 HD23 LEU 93 HD23 LEU 93 -1.529 -18.153 -2.916 No H/Q in entry = 11 In of MODEL 14 1 H LYS 94 H LYS 94 4.229 -16.994 -2.166 2 HA LYS 94 HA LYS 94 5.409 -14.532 -2.865 3 HB2 LYS 94 HB2 LYS 94 5.844 -15.637 -0.721 4 HB3 LYS 94 HB3 LYS 94 6.624 -16.973 -1.547 5 HG2 LYS 94 HG2 LYS 94 8.308 -15.308 -2.407 6 HG3 LYS 94 HG3 LYS 94 7.605 -14.148 -1.279 7 HD2 LYS 94 HD2 LYS 94 8.147 -15.582 0.591 8 HD3 LYS 94 HD3 LYS 94 8.732 -16.836 -0.503 9 HE2 LYS 94 HE2 LYS 94 10.462 -15.250 -1.309 10 HE3 LYS 94 HE3 LYS 94 9.920 -14.098 -0.091 11 HZ1 LYS 94 HZ1 LYS 94 10.493 -15.707 1.627 12 HZ2 LYS 94 HZ2 LYS 94 11.023 -16.800 0.448 13 HZ3 LYS 94 HZ3 LYS 94 11.839 -15.337 0.672 No H/Q in entry = 13 In of MODEL 14 1 H ALA 95 H ALA 95 5.955 -17.810 -3.900 2 HA ALA 95 HA ALA 95 8.211 -16.991 -5.504 3 HB1 ALA 95 HB1 ALA 95 8.414 -19.046 -4.244 4 HB2 ALA 95 HB2 ALA 95 8.453 -19.411 -5.970 5 HB3 ALA 95 HB3 ALA 95 6.981 -19.710 -5.038 No H/Q in entry = 5 In of MODEL 14 1 H LYS 96 H LYS 96 5.026 -18.549 -6.070 2 HA LYS 96 HA LYS 96 5.450 -18.690 -8.891 3 HB2 LYS 96 HB2 LYS 96 3.241 -19.283 -7.038 4 HB3 LYS 96 HB3 LYS 96 2.758 -18.832 -8.660 5 HG2 LYS 96 HG2 LYS 96 3.084 -21.301 -8.225 6 HG3 LYS 96 HG3 LYS 96 3.906 -20.637 -9.635 7 HD2 LYS 96 HD2 LYS 96 5.505 -22.007 -8.606 8 HD3 LYS 96 HD3 LYS 96 5.941 -20.377 -8.116 9 HE2 LYS 96 HE2 LYS 96 6.110 -21.777 -6.197 10 HE3 LYS 96 HE3 LYS 96 4.689 -20.753 -5.996 11 HZ1 LYS 96 HZ1 LYS 96 4.629 -23.561 -6.952 12 HZ2 LYS 96 HZ2 LYS 96 4.282 -23.071 -5.369 13 HZ3 LYS 96 HZ3 LYS 96 3.289 -22.578 -6.652 No H/Q in entry = 13 In of MODEL 14 1 H VAL 97 H VAL 97 4.499 -16.157 -6.817 2 HA VAL 97 HA VAL 97 3.116 -14.528 -8.697 3 HB VAL 97 HB VAL 97 3.624 -14.310 -6.027 4 HG11 VAL 97 HG11 VAL 97 5.316 -12.378 -7.521 5 HG12 VAL 97 HG12 VAL 97 4.851 -12.160 -5.833 6 HG13 VAL 97 HG13 VAL 97 5.826 -13.555 -6.316 7 HG21 VAL 97 HG21 VAL 97 1.727 -13.359 -7.233 8 HG22 VAL 97 HG22 VAL 97 2.481 -12.159 -6.181 9 HG23 VAL 97 HG23 VAL 97 2.781 -12.121 -7.917 No H/Q in entry = 9 In of MODEL 14 1 H GLU 98 H GLU 98 6.426 -15.228 -8.006 2 HA GLU 98 HA GLU 98 7.486 -12.939 -9.364 3 HB2 GLU 98 HB2 GLU 98 8.764 -15.421 -8.230 4 HB3 GLU 98 HB3 GLU 98 9.672 -14.105 -8.960 5 HG2 GLU 98 HG2 GLU 98 7.806 -13.758 -6.632 6 HG3 GLU 98 HG3 GLU 98 9.544 -14.040 -6.470 No H/Q in entry = 6 In of MODEL 14 1 H GLU 99 H GLU 99 6.618 -16.155 -10.276 2 HA GLU 99 HA GLU 99 8.155 -16.129 -12.726 3 HB2 GLU 99 HB2 GLU 99 7.288 -18.258 -13.156 4 HB3 GLU 99 HB3 GLU 99 7.431 -18.196 -11.406 5 HG2 GLU 99 HG2 GLU 99 5.102 -17.791 -11.154 6 HG3 GLU 99 HG3 GLU 99 4.922 -17.621 -12.897 No H/Q in entry = 6 In of MODEL 14 1 H ALA 100 H ALA 100 4.893 -15.473 -11.699 2 HA ALA 100 HA ALA 100 3.860 -14.894 -14.281 3 HB1 ALA 100 HB1 ALA 100 2.950 -13.807 -11.615 4 HB2 ALA 100 HB2 ALA 100 2.465 -15.364 -12.287 5 HB3 ALA 100 HB3 ALA 100 2.014 -13.872 -13.107 No H/Q in entry = 5 In of MODEL 14 1 H LEU 101 H LEU 101 4.954 -12.758 -11.633 2 HA LEU 101 HA LEU 101 5.120 -10.425 -13.144 3 HB2 LEU 101 HB2 LEU 101 6.248 -11.387 -10.561 4 HB3 LEU 101 HB3 LEU 101 6.850 -9.887 -11.238 5 HG LEU 101 HG LEU 101 4.623 -8.942 -11.195 6 HD11 LEU 101 HD11 LEU 101 3.300 -10.927 -11.586 7 HD12 LEU 101 HD12 LEU 101 3.709 -11.519 -9.975 8 HD13 LEU 101 HD13 LEU 101 2.748 -10.050 -10.160 9 HD21 LEU 101 HD21 LEU 101 6.039 -8.709 -9.223 10 HD22 LEU 101 HD22 LEU 101 4.331 -8.779 -8.785 11 HD23 LEU 101 HD23 LEU 101 5.358 -10.198 -8.569 No H/Q in entry = 11 In of MODEL 14 1 H HIS 102 H HIS 102 7.045 -13.182 -13.453 2 HA HIS 102 HA HIS 102 9.298 -11.646 -14.443 3 HB2 HIS 102 HB2 HIS 102 9.425 -13.982 -13.293 4 HB3 HIS 102 HB3 HIS 102 8.980 -14.602 -14.879 5 HD1 HIS 102 HD1 HIS 102 10.775 -14.501 -16.729 6 HD2 HIS 102 HD2 HIS 102 11.978 -12.888 -13.097 7 HE1 HIS 102 HE1 HIS 102 13.259 -14.175 -16.926 8 HE2 HIS 102 HE2 HIS 102 13.922 -13.003 -14.795 No H/Q in entry = 8 In of MODEL 14 1 H ALA 103 H ALA 103 6.727 -13.754 -15.608 2 HA ALA 103 HA ALA 103 7.573 -13.899 -18.281 3 HB1 ALA 103 HB1 ALA 103 4.795 -14.324 -17.214 4 HB2 ALA 103 HB2 ALA 103 6.104 -15.501 -17.070 5 HB3 ALA 103 HB3 ALA 103 5.507 -15.032 -18.666 No H/Q in entry = 5 In of MODEL 14 1 H VAL 104 H VAL 104 6.171 -11.296 -16.692 2 HA VAL 104 HA VAL 104 4.345 -10.456 -18.668 3 HB VAL 104 HB VAL 104 3.774 -9.727 -16.580 4 HG11 VAL 104 HG11 VAL 104 5.824 -10.261 -15.456 5 HG12 VAL 104 HG12 VAL 104 6.598 -8.835 -16.139 6 HG13 VAL 104 HG13 VAL 104 5.274 -8.655 -14.996 7 HG21 VAL 104 HG21 VAL 104 3.724 -7.874 -18.241 8 HG22 VAL 104 HG22 VAL 104 3.841 -7.344 -16.564 9 HG23 VAL 104 HG23 VAL 104 5.273 -7.334 -17.588 No H/Q in entry = 9 In of MODEL 14 1 H THR 105 H THR 105 7.223 -8.701 -17.558 2 HA THR 105 HA THR 105 8.981 -7.785 -18.606 3 HB THR 105 HB THR 105 9.772 -8.579 -20.729 4 HG1 THR 105 HG1 THR 105 7.094 -9.281 -21.100 5 HG21 THR 105 HG21 THR 105 8.477 -10.805 -19.158 6 HG22 THR 105 HG22 THR 105 9.793 -10.998 -20.319 7 HG23 THR 105 HG23 THR 105 10.054 -10.078 -18.839 No H/Q in entry = 7 In of MODEL 14 1 H ASP 106 H ASP 106 5.959 -6.875 -19.212 2 HA ASP 106 HA ASP 106 6.550 -4.881 -21.199 3 HB2 ASP 106 HB2 ASP 106 4.239 -5.648 -20.933 4 HB3 ASP 106 HB3 ASP 106 4.248 -5.143 -19.254 No H/Q in entry = 4 In of MODEL 14 1 H GLU 107 H GLU 107 7.236 -2.841 -20.856 2 HA GLU 107 HA GLU 107 9.007 -2.562 -18.749 3 HB2 GLU 107 HB2 GLU 107 7.915 -0.514 -20.669 4 HB3 GLU 107 HB3 GLU 107 9.218 -0.175 -19.538 5 HG2 GLU 107 HG2 GLU 107 9.266 -2.262 -21.705 6 HG3 GLU 107 HG3 GLU 107 10.068 -0.692 -21.759 No H/Q in entry = 6 In of MODEL 14 1 H GLU 108 H GLU 108 6.012 -0.706 -19.255 2 HA GLU 108 HA GLU 108 6.155 0.753 -16.867 3 HB2 GLU 108 HB2 GLU 108 4.723 1.338 -18.784 4 HB3 GLU 108 HB3 GLU 108 3.722 -0.064 -18.457 5 HG2 GLU 108 HG2 GLU 108 3.092 0.891 -16.297 6 HG3 GLU 108 HG3 GLU 108 4.092 2.304 -16.642 No H/Q in entry = 6 In of MODEL 14 1 H LYS 109 H LYS 109 4.715 -2.378 -17.632 2 HA LYS 109 HA LYS 109 3.493 -2.817 -15.131 3 HB2 LYS 109 HB2 LYS 109 4.533 -4.768 -17.187 4 HB3 LYS 109 HB3 LYS 109 3.575 -5.231 -15.789 5 HG2 LYS 109 HG2 LYS 109 1.764 -3.749 -16.611 6 HG3 LYS 109 HG3 LYS 109 2.715 -3.463 -18.065 7 HD2 LYS 109 HD2 LYS 109 2.676 -5.903 -18.507 8 HD3 LYS 109 HD3 LYS 109 1.632 -6.107 -17.101 9 HE2 LYS 109 HE2 LYS 109 -0.036 -4.636 -18.151 10 HE3 LYS 109 HE3 LYS 109 1.006 -4.484 -19.564 11 HZ1 LYS 109 HZ1 LYS 109 0.817 -6.884 -19.893 12 HZ2 LYS 109 HZ2 LYS 109 -0.219 -6.998 -18.562 13 HZ3 LYS 109 HZ3 LYS 109 -0.696 -6.136 -19.936 No H/Q in entry = 13 In of MODEL 14 1 H LYS 110 H LYS 110 6.697 -3.760 -16.378 2 HA LYS 110 HA LYS 110 7.571 -5.008 -13.992 3 HB2 LYS 110 HB2 LYS 110 9.115 -3.728 -16.238 4 HB3 LYS 110 HB3 LYS 110 9.883 -4.574 -14.909 5 HG2 LYS 110 HG2 LYS 110 8.582 -6.613 -15.589 6 HG3 LYS 110 HG3 LYS 110 8.094 -5.713 -17.034 7 HD2 LYS 110 HD2 LYS 110 10.963 -6.128 -16.213 8 HD3 LYS 110 HD3 LYS 110 10.114 -7.177 -17.343 9 HE2 LYS 110 HE2 LYS 110 9.797 -5.378 -18.882 10 HE3 LYS 110 HE3 LYS 110 10.389 -4.203 -17.712 11 HZ1 LYS 110 HZ1 LYS 110 12.021 -6.374 -18.914 12 HZ2 LYS 110 HZ2 LYS 110 12.041 -4.752 -19.400 13 HZ3 LYS 110 HZ3 LYS 110 12.570 -5.180 -17.850 No H/Q in entry = 13 In of MODEL 14 1 H GLN 111 H GLN 111 7.191 -1.745 -14.844 2 HA GLN 111 HA GLN 111 8.914 -0.616 -12.913 3 HB2 GLN 111 HB2 GLN 111 7.902 0.728 -14.705 4 HB3 GLN 111 HB3 GLN 111 6.317 0.504 -13.976 5 HG2 GLN 111 HG2 GLN 111 7.236 2.685 -13.433 6 HG3 GLN 111 HG3 GLN 111 7.043 1.696 -11.987 7 HE21 GLN 111 HE21 GLN 111 8.884 0.874 -10.957 8 HE22 GLN 111 HE22 GLN 111 10.455 1.548 -11.229 No H/Q in entry = 8 In of MODEL 14 1 H TYR 112 H TYR 112 5.588 -1.818 -12.728 2 HA TYR 112 HA TYR 112 5.156 -0.979 -10.005 3 HB2 TYR 112 HB2 TYR 112 3.775 -3.135 -11.633 4 HB3 TYR 112 HB3 TYR 112 3.234 -2.560 -10.066 5 HD1 TYR 112 HD1 TYR 112 3.632 0.363 -10.381 6 HD2 TYR 112 HD2 TYR 112 2.053 -2.525 -13.076 7 HE1 TYR 112 HE1 TYR 112 2.330 2.123 -11.488 8 HE2 TYR 112 HE2 TYR 112 0.753 -0.762 -14.205 9 HH TYR 112 HH TYR 112 1.263 2.591 -13.556 No H/Q in entry = 9 In of MODEL 14 1 H ILE 113 H ILE 113 6.276 -3.896 -11.607 2 HA ILE 113 HA ILE 113 6.377 -5.585 -9.386 3 HB ILE 113 HB ILE 113 7.921 -5.534 -11.961 4 HG12 ILE 113 HG12 ILE 113 5.972 -7.585 -10.968 5 HG13 ILE 113 HG13 ILE 113 5.395 -6.092 -11.687 6 HG21 ILE 113 HG21 ILE 113 9.367 -6.579 -10.289 7 HG22 ILE 113 HG22 ILE 113 8.052 -7.654 -9.816 8 HG23 ILE 113 HG23 ILE 113 8.751 -7.772 -11.431 9 HD11 ILE 113 HD11 ILE 113 7.236 -8.044 -13.026 10 HD12 ILE 113 HD12 ILE 113 5.490 -7.971 -13.254 11 HD13 ILE 113 HD13 ILE 113 6.502 -6.616 -13.747 No H/Q in entry = 11 In of MODEL 14 1 H ALA 114 H ALA 114 8.750 -3.263 -10.634 2 HA ALA 114 HA ALA 114 10.688 -3.793 -8.542 3 HB1 ALA 114 HB1 ALA 114 11.402 -3.061 -10.763 4 HB2 ALA 114 HB2 ALA 114 11.913 -1.924 -9.516 5 HB3 ALA 114 HB3 ALA 114 10.533 -1.541 -10.547 No H/Q in entry = 5 In of MODEL 14 1 H ASP 115 H ASP 115 8.200 -1.383 -9.223 2 HA ASP 115 HA ASP 115 9.019 0.426 -7.174 3 HB2 ASP 115 HB2 ASP 115 7.694 1.055 -9.214 4 HB3 ASP 115 HB3 ASP 115 6.307 0.243 -8.501 No H/Q in entry = 4 In of MODEL 14 1 H PHE 116 H PHE 116 6.260 -1.787 -7.443 2 HA PHE 116 HA PHE 116 5.696 -1.260 -4.624 3 HB2 PHE 116 HB2 PHE 116 4.019 -1.390 -6.878 4 HB3 PHE 116 HB3 PHE 116 3.661 -2.837 -5.943 5 HD1 PHE 116 HD1 PHE 116 2.828 -2.666 -3.670 6 HD2 PHE 116 HD2 PHE 116 3.431 0.774 -6.101 7 HE1 PHE 116 HE1 PHE 116 1.413 -1.331 -2.140 8 HE2 PHE 116 HE2 PHE 116 2.033 2.110 -4.585 9 HZ PHE 116 HZ PHE 116 0.989 1.055 -2.630 No H/Q in entry = 9 In of MODEL 14 1 H GLY 117 H GLY 117 6.875 -3.671 -6.703 2 HA2 GLY 117 HA2 GLY 117 7.563 -5.841 -6.307 3 HA3 GLY 117 HA3 GLY 117 5.913 -6.064 -5.760 No H/Q in entry = 3 In of MODEL 14 1 HA PRO 118 HA PRO 118 9.474 -6.511 -2.406 2 HB2 PRO 118 HB2 PRO 118 10.012 -3.608 -2.007 3 HB3 PRO 118 HB3 PRO 118 11.120 -4.981 -1.916 4 HG2 PRO 118 HG2 PRO 118 11.126 -3.369 -4.034 5 HG3 PRO 118 HG3 PRO 118 11.354 -5.117 -4.216 6 HD2 PRO 118 HD2 PRO 118 8.965 -3.444 -4.817 7 HD3 PRO 118 HD3 PRO 118 9.556 -4.905 -5.632 No H/Q in entry = 7 In of MODEL 14 1 H ALA 119 H ALA 119 7.788 -3.377 -2.086 2 HA ALA 119 HA ALA 119 7.230 -3.737 0.688 3 HB1 ALA 119 HB1 ALA 119 5.895 -1.715 0.468 4 HB2 ALA 119 HB2 ALA 119 6.025 -1.811 -1.288 5 HB3 ALA 119 HB3 ALA 119 7.466 -1.529 -0.310 No H/Q in entry = 5 In of MODEL 14 1 H CYS 120 H CYS 120 5.416 -4.331 -2.261 2 HA CYS 120 HA CYS 120 2.899 -4.853 -1.166 3 HB2 CYS 120 HB2 CYS 120 3.339 -4.694 -3.586 4 HB3 CYS 120 HB3 CYS 120 4.250 -6.197 -3.520 No H/Q in entry = 4 In of MODEL 14 1 H LYS 121 H LYS 121 5.833 -6.751 -1.236 2 HA LYS 121 HA LYS 121 4.691 -9.239 -0.604 3 HB2 LYS 121 HB2 LYS 121 7.407 -8.092 -0.581 4 HB3 LYS 121 HB3 LYS 121 7.159 -9.482 0.467 5 HG2 LYS 121 HG2 LYS 121 7.984 -9.980 -1.864 6 HG3 LYS 121 HG3 LYS 121 6.554 -10.870 -1.342 7 HD2 LYS 121 HD2 LYS 121 5.133 -9.282 -2.565 8 HD3 LYS 121 HD3 LYS 121 6.572 -8.411 -3.091 9 HE2 LYS 121 HE2 LYS 121 6.041 -11.313 -3.697 10 HE3 LYS 121 HE3 LYS 121 5.616 -9.988 -4.780 11 HZ1 LYS 121 HZ1 LYS 121 7.989 -9.349 -4.783 12 HZ2 LYS 121 HZ2 LYS 121 8.343 -10.734 -3.879 13 HZ3 LYS 121 HZ3 LYS 121 7.717 -10.884 -5.444 No H/Q in entry = 13 In of MODEL 14 1 H LYS 122 H LYS 122 5.949 -6.695 1.610 2 HA LYS 122 HA LYS 122 5.213 -8.175 3.938 3 HB2 LYS 122 HB2 LYS 122 5.537 -6.170 5.214 4 HB3 LYS 122 HB3 LYS 122 6.814 -6.261 4.018 5 HG2 LYS 122 HG2 LYS 122 5.603 -4.637 2.632 6 HG3 LYS 122 HG3 LYS 122 4.363 -4.523 3.880 7 HD2 LYS 122 HD2 LYS 122 7.269 -3.954 4.423 8 HD3 LYS 122 HD3 LYS 122 6.154 -2.713 3.861 9 HE2 LYS 122 HE2 LYS 122 6.135 -2.432 6.165 10 HE3 LYS 122 HE3 LYS 122 4.704 -3.411 5.875 11 HZ1 LYS 122 HZ1 LYS 122 7.326 -4.519 6.706 12 HZ2 LYS 122 HZ2 LYS 122 6.081 -4.143 7.786 13 HZ3 LYS 122 HZ3 LYS 122 5.858 -5.348 6.619 No H/Q in entry = 13 In of MODEL 14 1 H ILE 123 H ILE 123 3.517 -6.069 1.734 2 HA ILE 123 HA ILE 123 1.283 -5.519 3.357 3 HB ILE 123 HB ILE 123 1.564 -5.524 0.374 4 HG12 ILE 123 HG12 ILE 123 1.515 -3.333 2.457 5 HG13 ILE 123 HG13 ILE 123 2.940 -3.904 1.595 6 HG21 ILE 123 HG21 ILE 123 -0.721 -4.520 2.066 7 HG22 ILE 123 HG22 ILE 123 -0.528 -4.235 0.336 8 HG23 ILE 123 HG23 ILE 123 -0.773 -5.874 0.937 9 HD11 ILE 123 HD11 ILE 123 0.556 -2.600 0.336 10 HD12 ILE 123 HD12 ILE 123 2.083 -1.805 0.707 11 HD13 ILE 123 HD13 ILE 123 2.029 -3.103 -0.486 No H/Q in entry = 11 In of MODEL 14 1 H TYR 124 H TYR 124 1.770 -7.832 0.811 2 HA TYR 124 HA TYR 124 -0.557 -9.422 1.345 3 HB2 TYR 124 HB2 TYR 124 1.622 -9.402 -0.642 4 HB3 TYR 124 HB3 TYR 124 0.975 -10.990 -0.249 5 HD1 TYR 124 HD1 TYR 124 0.129 -7.663 -1.615 6 HD2 TYR 124 HD2 TYR 124 -1.199 -11.651 -0.951 7 HE1 TYR 124 HE1 TYR 124 -1.777 -7.276 -3.123 8 HE2 TYR 124 HE2 TYR 124 -3.105 -11.274 -2.457 9 HH TYR 124 HH TYR 124 -3.313 -8.579 -4.509 No H/Q in entry = 9 In of MODEL 14 1 H GLY 125 H GLY 125 1.000 -9.208 3.648 2 HA2 GLY 125 HA2 GLY 125 2.381 -10.373 5.179 3 HA3 GLY 125 HA3 GLY 125 3.477 -9.668 4.025 No H/Q in entry = 3 In of MODEL 14 1 H VAL 126 H VAL 126 2.682 -11.709 1.991 2 HA VAL 126 HA VAL 126 3.671 -14.228 2.685 3 HB VAL 126 HB VAL 126 4.355 -14.420 0.298 4 HG11 VAL 126 HG11 VAL 126 1.630 -13.232 0.776 5 HG12 VAL 126 HG12 VAL 126 2.113 -14.101 -0.679 6 HG13 VAL 126 HG13 VAL 126 2.072 -14.937 0.876 7 HG21 VAL 126 HG21 VAL 126 3.490 -11.532 0.152 8 HG22 VAL 126 HG22 VAL 126 5.130 -12.146 -0.065 9 HG23 VAL 126 HG23 VAL 126 3.875 -12.557 -1.232 No H/Q in entry = 9 In of MODEL 14 1 H HIS 127 H HIS 127 5.264 -11.290 2.873 2 HA HIS 127 HA HIS 127 7.888 -11.957 2.037 3 HB2 HIS 127 HB2 HIS 127 7.012 -9.630 2.379 4 HB3 HIS 127 HB3 HIS 127 7.065 -9.913 4.112 5 HD1 HIS 127 HD1 HIS 127 9.119 -9.083 5.204 6 HD2 HIS 127 HD2 HIS 127 9.765 -9.994 1.202 7 HE1 HIS 127 HE1 HIS 127 11.500 -8.428 4.740 8 HE2 HIS 127 HE2 HIS 127 11.902 -9.089 2.342 No H/Q in entry = 8 In of MODEL 14 1 H THR 128 H THR 128 7.995 -14.112 3.011 2 HA THR 128 HA THR 128 8.964 -13.957 5.778 3 HB THR 128 HB THR 128 6.822 -15.170 5.666 4 HG1 THR 128 HG1 THR 128 8.794 -17.134 6.142 5 HG21 THR 128 HG21 THR 128 8.331 -17.068 3.879 6 HG22 THR 128 HG22 THR 128 6.722 -17.349 4.543 7 HG23 THR 128 HG23 THR 128 6.989 -16.030 3.401 No H/Q in entry = 7 In of MODEL 14 1 H SER 129 H SER 129 10.832 -15.098 6.260 2 HA SER 129 HA SER 129 12.504 -15.687 3.966 3 HB2 SER 129 HB2 SER 129 13.171 -15.688 6.920 4 HB3 SER 129 HB3 SER 129 14.330 -15.782 5.593 5 HG SER 129 HG SER 129 12.688 -13.668 5.263 No H/Q in entry = 5 In of MODEL 15 1 HA2 GLY -4 HA2 GLY -4 -6.069 16.302 -25.114 2 HA3 GLY -4 HA3 GLY -4 -6.646 17.819 -24.438 3 H1 GLY -4 H1 GLY -4 -3.959 17.367 -25.599 4 H2 GLY -4 H2 GLY -4 -4.528 18.829 -24.970 No H/Q in entry = 4 In of MODEL 15 1 H SER -3 H SER -3 -6.999 16.472 -22.517 2 HA SER -3 HA SER -3 -4.822 16.777 -20.676 3 HB2 SER -3 HB2 SER -3 -7.498 15.427 -20.249 4 HB3 SER -3 HB3 SER -3 -6.410 16.024 -19.000 5 HG SER -3 HG SER -3 -6.875 18.090 -19.559 No H/Q in entry = 5 In of MODEL 15 1 HA PRO -2 HA PRO -2 -2.878 12.781 -20.807 2 HB2 PRO -2 HB2 PRO -2 -3.389 12.673 -17.867 3 HB3 PRO -2 HB3 PRO -2 -1.884 12.403 -18.756 4 HG2 PRO -2 HG2 PRO -2 -2.283 14.678 -17.444 5 HG3 PRO -2 HG3 PRO -2 -1.488 14.675 -19.031 6 HD2 PRO -2 HD2 PRO -2 -4.268 15.479 -18.302 7 HD3 PRO -2 HD3 PRO -2 -3.181 16.154 -19.530 No H/Q in entry = 7 In of MODEL 15 1 H GLU -1 H GLU -1 -5.362 12.695 -18.246 2 HA GLU -1 HA GLU -1 -7.069 11.281 -17.803 3 HB2 GLU -1 HB2 GLU -1 -7.142 11.085 -20.816 4 HB3 GLU -1 HB3 GLU -1 -8.405 10.492 -19.745 5 HG2 GLU -1 HG2 GLU -1 -8.703 12.793 -18.896 6 HG3 GLU -1 HG3 GLU -1 -7.519 13.346 -20.079 No H/Q in entry = 6 In of MODEL 15 1 H PHE 0 H PHE 0 -4.677 10.098 -17.411 2 HA PHE 0 HA PHE 0 -5.161 7.334 -18.308 3 HB2 PHE 0 HB2 PHE 0 -2.616 8.638 -17.319 4 HB3 PHE 0 HB3 PHE 0 -2.787 6.911 -17.599 5 HD1 PHE 0 HD1 PHE 0 -3.306 6.120 -19.937 6 HD2 PHE 0 HD2 PHE 0 -2.092 10.101 -19.056 7 HE1 PHE 0 HE1 PHE 0 -2.651 6.437 -22.286 8 HE2 PHE 0 HE2 PHE 0 -1.442 10.426 -21.403 9 HZ PHE 0 HZ PHE 0 -1.718 8.592 -23.021 No H/Q in entry = 9 In of MODEL 15 1 H HIS 1 H HIS 1 -3.788 9.080 -15.524 2 HA HIS 1 HA HIS 1 -3.932 8.761 -13.283 3 HB2 HIS 1 HB2 HIS 1 -6.686 7.903 -14.149 4 HB3 HIS 1 HB3 HIS 1 -6.209 7.923 -12.454 5 HD1 HIS 1 HD1 HIS 1 -6.925 9.982 -11.317 6 HD2 HIS 1 HD2 HIS 1 -6.066 10.667 -15.329 7 HE1 HIS 1 HE1 HIS 1 -7.364 12.430 -11.698 8 HE2 HIS 1 HE2 HIS 1 -6.708 12.846 -14.092 No H/Q in entry = 8 In of MODEL 15 1 H HIS 2 H HIS 2 -2.361 6.957 -14.211 2 HA HIS 2 HA HIS 2 -3.276 4.276 -13.619 3 HB2 HIS 2 HB2 HIS 2 -0.577 5.344 -14.469 4 HB3 HIS 2 HB3 HIS 2 -0.913 3.641 -14.188 5 HD1 HIS 2 HD1 HIS 2 0.039 4.367 -16.940 6 HD2 HIS 2 HD2 HIS 2 -3.986 4.421 -15.876 7 HE1 HIS 2 HE1 HIS 2 -1.238 4.154 -19.091 8 HE2 HIS 2 HE2 HIS 2 -3.663 4.050 -18.415 No H/Q in entry = 8 In of MODEL 15 1 H PHE 3 H PHE 3 -3.829 4.747 -11.429 2 HA PHE 3 HA PHE 3 -3.547 4.486 -9.209 3 HB2 PHE 3 HB2 PHE 3 -0.763 3.556 -9.939 4 HB3 PHE 3 HB3 PHE 3 -1.525 3.361 -8.363 5 HD1 PHE 3 HD1 PHE 3 -3.701 2.028 -8.264 6 HD2 PHE 3 HD2 PHE 3 -1.048 1.953 -11.590 7 HE1 PHE 3 HE1 PHE 3 -4.708 -0.087 -9.016 8 HE2 PHE 3 HE2 PHE 3 -2.050 -0.159 -12.347 9 HZ PHE 3 HZ PHE 3 -3.884 -1.180 -11.060 No H/Q in entry = 9 In of MODEL 15 1 H THR 4 H THR 4 -3.737 6.468 -8.409 2 HA THR 4 HA THR 4 -1.277 8.021 -8.059 3 HB THR 4 HB THR 4 -2.686 10.105 -8.259 4 HG1 THR 4 HG1 THR 4 -4.693 9.909 -9.251 5 HG21 THR 4 HG21 THR 4 -1.194 9.400 -10.064 6 HG22 THR 4 HG22 THR 4 -2.465 8.366 -10.720 7 HG23 THR 4 HG23 THR 4 -2.667 10.119 -10.714 No H/Q in entry = 7 In of MODEL 15 1 H LEU 5 H LEU 5 -1.269 9.390 -6.158 2 HA LEU 5 HA LEU 5 -2.125 7.992 -3.923 3 HB2 LEU 5 HB2 LEU 5 -0.213 9.465 -3.909 4 HB3 LEU 5 HB3 LEU 5 -1.244 10.859 -4.166 5 HG LEU 5 HG LEU 5 -2.328 10.347 -1.950 6 HD11 LEU 5 HD11 LEU 5 0.019 8.472 -1.691 7 HD12 LEU 5 HD12 LEU 5 -1.067 8.945 -0.386 8 HD13 LEU 5 HD13 LEU 5 -1.683 8.012 -1.749 9 HD21 LEU 5 HD21 LEU 5 -0.637 12.097 -2.271 10 HD22 LEU 5 HD22 LEU 5 -0.561 11.374 -0.668 11 HD23 LEU 5 HD23 LEU 5 0.626 10.928 -1.894 No H/Q in entry = 11 In of MODEL 15 1 H GLU 6 H GLU 6 -3.476 11.103 -5.148 2 HA GLU 6 HA GLU 6 -5.653 11.253 -3.406 3 HB2 GLU 6 HB2 GLU 6 -5.459 12.034 -6.317 4 HB3 GLU 6 HB3 GLU 6 -6.851 12.409 -5.314 5 HG2 GLU 6 HG2 GLU 6 -5.490 13.766 -3.859 6 HG3 GLU 6 HG3 GLU 6 -4.037 13.316 -4.753 No H/Q in entry = 6 In of MODEL 15 1 H SER 7 H SER 7 -5.328 9.336 -6.430 2 HA SER 7 HA SER 7 -7.970 8.517 -6.597 3 HB2 SER 7 HB2 SER 7 -6.300 8.163 -8.375 4 HB3 SER 7 HB3 SER 7 -5.524 6.924 -7.391 5 HG SER 7 HG SER 7 -7.034 6.130 -9.000 No H/Q in entry = 5 In of MODEL 15 1 H SER 8 H SER 8 -5.653 7.595 -4.210 2 HA SER 8 HA SER 8 -7.179 5.189 -3.598 3 HB2 SER 8 HB2 SER 8 -4.613 6.090 -2.312 4 HB3 SER 8 HB3 SER 8 -5.399 4.505 -2.169 5 HG SER 8 HG SER 8 -4.701 5.525 -4.707 No H/Q in entry = 5 In of MODEL 15 1 H LEU 9 H LEU 9 -6.954 8.436 -2.438 2 HA LEU 9 HA LEU 9 -6.731 8.002 0.267 3 HB2 LEU 9 HB2 LEU 9 -8.010 10.278 -1.187 4 HB3 LEU 9 HB3 LEU 9 -7.571 10.294 0.512 5 HG LEU 9 HG LEU 9 -5.595 9.794 -1.703 6 HD11 LEU 9 HD11 LEU 9 -6.608 11.975 -1.931 7 HD12 LEU 9 HD12 LEU 9 -6.213 12.350 -0.254 8 HD13 LEU 9 HD13 LEU 9 -4.922 12.097 -1.431 9 HD21 LEU 9 HD21 LEU 9 -5.250 10.496 1.212 10 HD22 LEU 9 HD22 LEU 9 -4.918 8.929 0.468 11 HD23 LEU 9 HD23 LEU 9 -3.947 10.339 0.034 No H/Q in entry = 11 In of MODEL 15 1 H ASP 10 H ASP 10 -9.656 7.965 -1.572 2 HA ASP 10 HA ASP 10 -11.217 7.570 0.871 3 HB2 ASP 10 HB2 ASP 10 -12.044 7.986 -2.001 4 HB3 ASP 10 HB3 ASP 10 -13.178 7.654 -0.698 No H/Q in entry = 4 In of MODEL 15 1 H THR 11 H THR 11 -9.459 5.685 -1.110 2 HA THR 11 HA THR 11 -11.283 3.415 -0.746 3 HB THR 11 HB THR 11 -10.189 2.432 -2.833 4 HG1 THR 11 HG1 THR 11 -9.676 5.138 -3.502 5 HG21 THR 11 HG21 THR 11 -11.938 4.876 -3.130 6 HG22 THR 11 HG22 THR 11 -11.720 3.614 -4.342 7 HG23 THR 11 HG23 THR 11 -12.499 3.234 -2.807 No H/Q in entry = 7 In of MODEL 15 1 H HIS 12 H HIS 12 -8.159 3.042 -2.214 2 HA HIS 12 HA HIS 12 -7.435 1.018 -0.461 3 HB2 HIS 12 HB2 HIS 12 -5.485 2.613 -2.108 4 HB3 HIS 12 HB3 HIS 12 -5.255 0.989 -1.500 5 HD1 HIS 12 HD1 HIS 12 -4.933 1.507 -4.474 6 HD2 HIS 12 HD2 HIS 12 -8.535 0.403 -2.733 7 HE1 HIS 12 HE1 HIS 12 -6.272 0.442 -6.318 8 HE2 HIS 12 HE2 HIS 12 -8.507 -0.082 -5.272 No H/Q in entry = 8 In of MODEL 15 1 H LEU 13 H LEU 13 -6.698 4.458 -0.315 2 HA LEU 13 HA LEU 13 -4.915 3.907 1.962 3 HB2 LEU 13 HB2 LEU 13 -4.849 5.917 -0.201 4 HB3 LEU 13 HB3 LEU 13 -4.321 6.444 1.385 5 HG LEU 13 HG LEU 13 -2.393 5.753 0.136 6 HD11 LEU 13 HD11 LEU 13 -2.487 5.177 2.538 7 HD12 LEU 13 HD12 LEU 13 -3.057 3.568 2.096 8 HD13 LEU 13 HD13 LEU 13 -1.455 4.099 1.598 9 HD21 LEU 13 HD21 LEU 13 -3.819 3.128 -0.282 10 HD22 LEU 13 HD22 LEU 13 -3.426 4.325 -1.516 11 HD23 LEU 13 HD23 LEU 13 -2.135 3.451 -0.696 No H/Q in entry = 11 In of MODEL 15 1 H LYS 14 H LYS 14 -7.847 4.194 1.984 2 HA LYS 14 HA LYS 14 -8.527 6.745 3.024 3 HB2 LYS 14 HB2 LYS 14 -10.695 5.795 3.531 4 HB3 LYS 14 HB3 LYS 14 -10.181 5.321 1.925 5 HG2 LYS 14 HG2 LYS 14 -9.658 3.116 2.667 6 HG3 LYS 14 HG3 LYS 14 -9.911 3.570 4.355 7 HD2 LYS 14 HD2 LYS 14 -12.256 3.897 3.981 8 HD3 LYS 14 HD3 LYS 14 -12.056 3.689 2.241 9 HE2 LYS 14 HE2 LYS 14 -11.501 1.385 2.510 10 HE3 LYS 14 HE3 LYS 14 -11.423 1.551 4.265 11 HZ1 LYS 14 HZ1 LYS 14 -13.880 1.927 2.644 12 HZ2 LYS 14 HZ2 LYS 14 -13.490 0.510 3.479 13 HZ3 LYS 14 HZ3 LYS 14 -13.775 1.943 4.331 No H/Q in entry = 13 In of MODEL 15 1 H TRP 15 H TRP 15 -7.071 4.034 4.443 2 HA TRP 15 HA TRP 15 -8.062 4.409 7.108 3 HB2 TRP 15 HB2 TRP 15 -6.287 2.764 7.718 4 HB3 TRP 15 HB3 TRP 15 -7.374 2.196 6.454 5 HD1 TRP 15 HD1 TRP 15 -6.379 1.951 3.996 6 HE1 TRP 15 HE1 TRP 15 -3.964 1.713 3.134 7 HE3 TRP 15 HE3 TRP 15 -3.883 3.516 8.166 8 HZ2 TRP 15 HZ2 TRP 15 -1.342 2.134 4.109 9 HZ3 TRP 15 HZ3 TRP 15 -1.424 3.570 8.124 10 HH2 TRP 15 HH2 TRP 15 -0.181 2.892 6.134 No H/Q in entry = 10 In of MODEL 15 1 H LEU 16 H LEU 16 -5.909 6.129 5.235 2 HA LEU 16 HA LEU 16 -4.134 6.971 7.332 3 HB2 LEU 16 HB2 LEU 16 -4.825 8.282 4.696 4 HB3 LEU 16 HB3 LEU 16 -3.545 8.801 5.768 5 HG LEU 16 HG LEU 16 -3.632 6.138 4.338 6 HD11 LEU 16 HD11 LEU 16 -3.344 8.029 2.813 7 HD12 LEU 16 HD12 LEU 16 -1.990 8.607 3.784 8 HD13 LEU 16 HD13 LEU 16 -1.874 7.065 2.937 9 HD21 LEU 16 HD21 LEU 16 -1.478 7.446 6.001 10 HD22 LEU 16 HD22 LEU 16 -2.366 5.975 6.396 11 HD23 LEU 16 HD23 LEU 16 -1.258 5.995 5.024 No H/Q in entry = 11 In of MODEL 15 1 H SER 17 H SER 17 -4.238 8.800 8.523 2 HA SER 17 HA SER 17 -6.844 9.892 9.043 3 HB2 SER 17 HB2 SER 17 -5.271 9.603 10.882 4 HB3 SER 17 HB3 SER 17 -4.119 10.674 10.090 5 HG SER 17 HG SER 17 -5.815 11.423 11.823 No H/Q in entry = 5 In of MODEL 15 1 H GLN 18 H GLN 18 -7.277 12.310 8.937 2 HA GLN 18 HA GLN 18 -6.839 13.235 6.337 3 HB2 GLN 18 HB2 GLN 18 -8.666 14.071 7.785 4 HB3 GLN 18 HB3 GLN 18 -7.481 14.923 8.764 5 HG2 GLN 18 HG2 GLN 18 -8.586 16.436 7.229 6 HG3 GLN 18 HG3 GLN 18 -6.870 16.299 6.851 7 HE21 GLN 18 HE21 GLN 18 -6.235 15.254 4.960 8 HE22 GLN 18 HE22 GLN 18 -7.344 14.925 3.671 No H/Q in entry = 8 In of MODEL 15 1 H GLU 19 H GLU 19 -5.177 14.096 9.354 2 HA GLU 19 HA GLU 19 -3.386 15.934 8.283 3 HB2 GLU 19 HB2 GLU 19 -3.469 14.177 10.685 4 HB3 GLU 19 HB3 GLU 19 -1.958 14.945 10.275 5 HG2 GLU 19 HG2 GLU 19 -4.563 16.334 10.793 6 HG3 GLU 19 HG3 GLU 19 -3.174 16.277 11.878 No H/Q in entry = 6 In of MODEL 15 1 H GLN 20 H GLN 20 -3.287 12.413 8.393 2 HA GLN 20 HA GLN 20 -0.606 12.221 7.419 3 HB2 GLN 20 HB2 GLN 20 -2.852 10.185 7.413 4 HB3 GLN 20 HB3 GLN 20 -1.174 9.833 7.012 5 HG2 GLN 20 HG2 GLN 20 -0.488 10.438 9.259 6 HG3 GLN 20 HG3 GLN 20 -2.148 10.862 9.671 7 HE21 GLN 20 HE21 GLN 20 -0.372 8.901 10.878 8 HE22 GLN 20 HE22 GLN 20 -1.182 7.376 10.766 No H/Q in entry = 8 In of MODEL 15 1 H LYS 21 H LYS 21 -3.822 11.963 5.915 2 HA LYS 21 HA LYS 21 -3.012 11.462 3.285 3 HB2 LYS 21 HB2 LYS 21 -5.361 13.082 4.290 4 HB3 LYS 21 HB3 LYS 21 -5.155 12.567 2.624 5 HG2 LYS 21 HG2 LYS 21 -5.288 10.244 3.294 6 HG3 LYS 21 HG3 LYS 21 -5.406 10.723 4.988 7 HD2 LYS 21 HD2 LYS 21 -7.507 11.822 4.585 8 HD3 LYS 21 HD3 LYS 21 -7.363 11.539 2.851 9 HE2 LYS 21 HE2 LYS 21 -7.540 9.154 3.189 10 HE3 LYS 21 HE3 LYS 21 -7.566 9.375 4.939 11 HZ1 LYS 21 HZ1 LYS 21 -9.648 10.593 4.707 12 HZ2 LYS 21 HZ2 LYS 21 -9.625 10.355 3.033 13 HZ3 LYS 21 HZ3 LYS 21 -9.787 9.032 4.075 No H/Q in entry = 13 In of MODEL 15 1 H ASP 22 H ASP 22 -3.557 14.519 4.951 2 HA ASP 22 HA ASP 22 -2.776 16.233 2.848 3 HB2 ASP 22 HB2 ASP 22 -4.110 16.957 4.783 4 HB3 ASP 22 HB3 ASP 22 -2.725 16.695 5.836 No H/Q in entry = 4 In of MODEL 15 1 H GLU 23 H GLU 23 -0.910 14.674 5.469 2 HA GLU 23 HA GLU 23 1.538 15.910 4.924 3 HB2 GLU 23 HB2 GLU 23 0.901 14.485 6.923 4 HB3 GLU 23 HB3 GLU 23 1.122 13.084 5.886 5 HG2 GLU 23 HG2 GLU 23 3.391 13.558 5.571 6 HG3 GLU 23 HG3 GLU 23 3.228 15.144 6.310 No H/Q in entry = 6 In of MODEL 15 1 H LEU 24 H LEU 24 0.167 12.829 3.727 2 HA LEU 24 HA LEU 24 2.331 12.142 2.064 3 HB2 LEU 24 HB2 LEU 24 -0.591 11.424 2.083 4 HB3 LEU 24 HB3 LEU 24 0.483 10.815 0.844 5 HG LEU 24 HG LEU 24 -0.058 9.334 2.883 6 HD11 LEU 24 HD11 LEU 24 2.785 9.758 2.006 7 HD12 LEU 24 HD12 LEU 24 2.170 8.337 2.854 8 HD13 LEU 24 HD13 LEU 24 1.587 8.718 1.231 9 HD21 LEU 24 HD21 LEU 24 1.831 11.301 4.085 10 HD22 LEU 24 HD22 LEU 24 0.342 10.625 4.749 11 HD23 LEU 24 HD23 LEU 24 1.793 9.626 4.632 No H/Q in entry = 11 In of MODEL 15 1 H LEU 25 H LEU 25 -0.720 13.851 1.379 2 HA LEU 25 HA LEU 25 -0.320 14.287 -1.353 3 HB2 LEU 25 HB2 LEU 25 -1.848 15.802 0.743 4 HB3 LEU 25 HB3 LEU 25 -1.805 16.341 -0.922 5 HG LEU 25 HG LEU 25 -2.835 13.654 -0.012 6 HD11 LEU 25 HD11 LEU 25 -4.305 16.149 -0.851 7 HD12 LEU 25 HD12 LEU 25 -5.047 14.570 -0.583 8 HD13 LEU 25 HD13 LEU 25 -4.291 15.428 0.758 9 HD21 LEU 25 HD21 LEU 25 -1.923 13.629 -2.275 10 HD22 LEU 25 HD22 LEU 25 -3.679 13.480 -2.299 11 HD23 LEU 25 HD23 LEU 25 -2.918 15.020 -2.699 No H/Q in entry = 11 In of MODEL 15 1 H LYS 26 H LYS 26 0.792 16.040 1.453 2 HA LYS 26 HA LYS 26 1.771 18.353 0.193 3 HB2 LYS 26 HB2 LYS 26 1.499 17.634 2.735 4 HB3 LYS 26 HB3 LYS 26 3.185 17.181 2.540 5 HG2 LYS 26 HG2 LYS 26 3.063 19.392 3.445 6 HG3 LYS 26 HG3 LYS 26 3.680 19.479 1.794 7 HD2 LYS 26 HD2 LYS 26 2.012 21.239 2.297 8 HD3 LYS 26 HD3 LYS 26 1.520 20.184 0.974 9 HE2 LYS 26 HE2 LYS 26 -0.339 20.651 2.492 10 HE3 LYS 26 HE3 LYS 26 0.068 18.941 2.484 11 HZ1 LYS 26 HZ1 LYS 26 1.347 19.332 4.545 12 HZ2 LYS 26 HZ2 LYS 26 0.776 20.926 4.573 13 HZ3 LYS 26 HZ3 LYS 26 -0.308 19.631 4.718 No H/Q in entry = 13 In of MODEL 15 1 H MET 27 H MET 27 3.363 15.298 1.038 2 HA MET 27 HA MET 27 5.849 15.885 -0.029 3 HB2 MET 27 HB2 MET 27 4.521 13.181 0.112 4 HB3 MET 27 HB3 MET 27 6.243 13.471 -0.100 5 HG2 MET 27 HG2 MET 27 5.979 14.808 2.135 6 HG3 MET 27 HG3 MET 27 4.546 13.797 2.315 7 HE1 MET 27 HE1 MET 27 5.545 11.232 0.719 8 HE2 MET 27 HE2 MET 27 6.246 10.207 1.972 9 HE3 MET 27 HE3 MET 27 4.705 11.023 2.257 No H/Q in entry = 9 In of MODEL 15 1 H LYS 28 H LYS 28 3.157 14.150 -1.683 2 HA LYS 28 HA LYS 28 4.548 13.789 -4.108 3 HB2 LYS 28 HB2 LYS 28 2.471 13.163 -5.026 4 HB3 LYS 28 HB3 LYS 28 2.527 12.549 -3.393 5 HG2 LYS 28 HG2 LYS 28 0.414 13.334 -3.395 6 HG3 LYS 28 HG3 LYS 28 1.243 14.808 -2.902 7 HD2 LYS 28 HD2 LYS 28 -0.391 15.287 -4.643 8 HD3 LYS 28 HD3 LYS 28 1.246 15.580 -5.232 9 HE2 LYS 28 HE2 LYS 28 1.236 13.455 -6.403 10 HE3 LYS 28 HE3 LYS 28 -0.357 13.075 -5.749 11 HZ1 LYS 28 HZ1 LYS 28 0.245 15.366 -7.538 12 HZ2 LYS 28 HZ2 LYS 28 -0.446 13.905 -8.035 13 HZ3 LYS 28 HZ3 LYS 28 -1.278 14.916 -6.967 No H/Q in entry = 13 In of MODEL 15 1 H LYS 29 H LYS 29 2.482 16.363 -2.899 2 HA LYS 29 HA LYS 29 2.331 17.908 -5.218 3 HB2 LYS 29 HB2 LYS 29 0.934 18.231 -3.202 4 HB3 LYS 29 HB3 LYS 29 2.333 18.863 -2.350 5 HG2 LYS 29 HG2 LYS 29 0.925 20.675 -3.085 6 HG3 LYS 29 HG3 LYS 29 2.457 20.717 -3.956 7 HD2 LYS 29 HD2 LYS 29 0.580 21.160 -5.453 8 HD3 LYS 29 HD3 LYS 29 1.390 19.657 -5.886 9 HE2 LYS 29 HE2 LYS 29 -0.342 18.366 -4.802 10 HE3 LYS 29 HE3 LYS 29 -1.118 19.838 -4.219 11 HZ1 LYS 29 HZ1 LYS 29 -1.506 20.472 -6.536 12 HZ2 LYS 29 HZ2 LYS 29 -0.823 19.019 -7.059 13 HZ3 LYS 29 HZ3 LYS 29 -2.252 19.005 -6.157 No H/Q in entry = 13 In of MODEL 15 1 H ASP 30 H ASP 30 4.706 18.001 -2.572 2 HA ASP 30 HA ASP 30 6.078 20.202 -3.831 3 HB2 ASP 30 HB2 ASP 30 6.465 18.703 -1.268 4 HB3 ASP 30 HB3 ASP 30 7.758 19.727 -1.886 No H/Q in entry = 4 In of MODEL 15 1 H GLY 31 H GLY 31 5.987 17.176 -4.729 2 HA2 GLY 31 HA2 GLY 31 8.454 17.622 -6.185 3 HA3 GLY 31 HA3 GLY 31 7.178 16.497 -6.613 No H/Q in entry = 3 In of MODEL 15 1 H LYS 32 H LYS 32 7.249 15.494 -3.749 2 HA LYS 32 HA LYS 32 9.751 14.139 -3.571 3 HB2 LYS 32 HB2 LYS 32 7.102 13.573 -2.227 4 HB3 LYS 32 HB3 LYS 32 8.607 12.741 -1.856 5 HG2 LYS 32 HG2 LYS 32 8.021 15.668 -1.457 6 HG3 LYS 32 HG3 LYS 32 8.198 14.439 -0.205 7 HD2 LYS 32 HD2 LYS 32 10.538 14.090 -0.954 8 HD3 LYS 32 HD3 LYS 32 10.337 15.427 -2.085 9 HE2 LYS 32 HE2 LYS 32 11.446 16.204 -0.084 10 HE3 LYS 32 HE3 LYS 32 9.841 16.925 -0.199 11 HZ1 LYS 32 HZ1 LYS 32 10.552 14.581 1.486 12 HZ2 LYS 32 HZ2 LYS 32 10.342 16.163 2.048 13 HZ3 LYS 32 HZ3 LYS 32 9.031 15.317 1.398 No H/Q in entry = 13 In of MODEL 15 1 H ALA 33 H ALA 33 10.045 11.908 -3.798 2 HA ALA 33 HA ALA 33 8.938 10.876 -6.242 3 HB1 ALA 33 HB1 ALA 33 11.287 10.507 -5.687 4 HB2 ALA 33 HB2 ALA 33 10.436 8.976 -5.886 5 HB3 ALA 33 HB3 ALA 33 10.811 9.572 -4.269 No H/Q in entry = 5 In of MODEL 15 1 H LYS 34 H LYS 34 7.776 8.912 -6.487 2 HA LYS 34 HA LYS 34 5.676 8.408 -4.727 3 HB2 LYS 34 HB2 LYS 34 6.968 6.470 -6.652 4 HB3 LYS 34 HB3 LYS 34 5.367 6.303 -5.945 5 HG2 LYS 34 HG2 LYS 34 4.627 8.309 -7.105 6 HG3 LYS 34 HG3 LYS 34 6.241 8.518 -7.789 7 HD2 LYS 34 HD2 LYS 34 6.015 6.308 -8.883 8 HD3 LYS 34 HD3 LYS 34 4.363 6.207 -8.272 9 HE2 LYS 34 HE2 LYS 34 3.772 8.215 -9.515 10 HE3 LYS 34 HE3 LYS 34 5.428 8.352 -10.102 11 HZ1 LYS 34 HZ1 LYS 34 5.156 6.212 -11.212 12 HZ2 LYS 34 HZ2 LYS 34 3.560 6.114 -10.671 13 HZ3 LYS 34 HZ3 LYS 34 4.008 7.328 -11.755 No H/Q in entry = 13 In of MODEL 15 1 H LYS 35 H LYS 35 8.909 7.090 -4.877 2 HA LYS 35 HA LYS 35 8.602 4.952 -3.083 3 HB2 LYS 35 HB2 LYS 35 11.063 6.615 -3.626 4 HB3 LYS 35 HB3 LYS 35 11.041 5.023 -2.883 5 HG2 LYS 35 HG2 LYS 35 10.144 5.653 -5.689 6 HG3 LYS 35 HG3 LYS 35 11.693 4.937 -5.242 7 HD2 LYS 35 HD2 LYS 35 8.989 3.715 -4.678 8 HD3 LYS 35 HD3 LYS 35 10.047 3.263 -6.017 9 HE2 LYS 35 HE2 LYS 35 11.793 2.665 -4.361 10 HE3 LYS 35 HE3 LYS 35 10.640 3.005 -3.072 11 HZ1 LYS 35 HZ1 LYS 35 10.151 1.002 -5.203 12 HZ2 LYS 35 HZ2 LYS 35 10.846 0.622 -3.711 13 HZ3 LYS 35 HZ3 LYS 35 9.265 1.227 -3.772 No H/Q in entry = 13 In of MODEL 15 1 H GLU 36 H GLU 36 8.600 8.336 -2.498 2 HA GLU 36 HA GLU 36 9.420 8.076 0.275 3 HB2 GLU 36 HB2 GLU 36 8.417 10.513 -1.204 4 HB3 GLU 36 HB3 GLU 36 9.238 10.487 0.353 5 HG2 GLU 36 HG2 GLU 36 11.220 9.520 -0.767 6 HG3 GLU 36 HG3 GLU 36 10.395 9.708 -2.300 No H/Q in entry = 6 In of MODEL 15 1 H LEU 37 H LEU 37 6.595 8.461 -1.694 2 HA LEU 37 HA LEU 37 4.710 8.637 0.397 3 HB2 LEU 37 HB2 LEU 37 4.571 7.700 -2.462 4 HB3 LEU 37 HB3 LEU 37 3.163 7.808 -1.427 5 HG LEU 37 HG LEU 37 3.417 9.703 -2.963 6 HD11 LEU 37 HD11 LEU 37 2.179 9.935 -0.869 7 HD12 LEU 37 HD12 LEU 37 3.663 10.451 -0.068 8 HD13 LEU 37 HD13 LEU 37 2.955 11.448 -1.338 9 HD21 LEU 37 HD21 LEU 37 5.838 10.417 -1.355 10 HD22 LEU 37 HD22 LEU 37 5.813 9.937 -3.052 11 HD23 LEU 37 HD23 LEU 37 5.055 11.449 -2.551 No H/Q in entry = 11 In of MODEL 15 1 H GLU 38 H GLU 38 6.033 5.973 -1.497 2 HA GLU 38 HA GLU 38 4.596 3.865 -0.311 3 HB2 GLU 38 HB2 GLU 38 5.766 3.570 -2.409 4 HB3 GLU 38 HB3 GLU 38 7.305 3.945 -1.652 5 HG2 GLU 38 HG2 GLU 38 6.063 1.734 -0.311 6 HG3 GLU 38 HG3 GLU 38 6.157 1.429 -2.047 No H/Q in entry = 6 In of MODEL 15 1 H ALA 39 H ALA 39 7.103 5.824 0.853 2 HA ALA 39 HA ALA 39 8.074 3.883 2.782 3 HB1 ALA 39 HB1 ALA 39 8.895 6.747 2.339 4 HB2 ALA 39 HB2 ALA 39 9.704 5.576 3.379 5 HB3 ALA 39 HB3 ALA 39 9.671 5.330 1.633 No H/Q in entry = 5 In of MODEL 15 1 H LYS 40 H LYS 40 6.351 6.959 2.776 2 HA LYS 40 HA LYS 40 6.107 7.184 5.578 3 HB2 LYS 40 HB2 LYS 40 5.774 9.017 3.875 4 HB3 LYS 40 HB3 LYS 40 4.221 8.289 3.494 5 HG2 LYS 40 HG2 LYS 40 3.842 10.092 4.995 6 HG3 LYS 40 HG3 LYS 40 3.571 8.589 5.878 7 HD2 LYS 40 HD2 LYS 40 4.817 9.994 7.316 8 HD3 LYS 40 HD3 LYS 40 5.948 8.792 6.703 9 HE2 LYS 40 HE2 LYS 40 6.751 10.397 5.037 10 HE3 LYS 40 HE3 LYS 40 5.620 11.601 5.655 11 HZ1 LYS 40 HZ1 LYS 40 6.764 11.485 7.797 12 HZ2 LYS 40 HZ2 LYS 40 7.873 10.385 7.152 13 HZ3 LYS 40 HZ3 LYS 40 7.805 11.963 6.556 No H/Q in entry = 13 In of MODEL 15 1 H ILE 41 H ILE 41 3.983 5.864 3.064 2 HA ILE 41 HA ILE 41 1.840 5.159 4.724 3 HB ILE 41 HB ILE 41 2.785 4.003 2.105 4 HG12 ILE 41 HG12 ILE 41 0.475 5.851 2.723 5 HG13 ILE 41 HG13 ILE 41 2.062 6.407 2.202 6 HG21 ILE 41 HG21 ILE 41 0.185 3.526 3.549 7 HG22 ILE 41 HG22 ILE 41 0.552 3.007 1.904 8 HG23 ILE 41 HG23 ILE 41 1.454 2.337 3.263 9 HD11 ILE 41 HD11 ILE 41 0.252 4.600 0.630 10 HD12 ILE 41 HD12 ILE 41 0.452 6.335 0.375 11 HD13 ILE 41 HD13 ILE 41 1.810 5.239 0.108 No H/Q in entry = 11 In of MODEL 15 1 H LEU 42 H LEU 42 4.688 3.295 3.673 2 HA LEU 42 HA LEU 42 3.969 0.905 4.988 3 HB2 LEU 42 HB2 LEU 42 6.631 1.987 4.120 4 HB3 LEU 42 HB3 LEU 42 6.459 0.422 4.879 5 HG LEU 42 HG LEU 42 5.445 1.309 2.197 6 HD11 LEU 42 HD11 LEU 42 7.242 -0.930 3.094 7 HD12 LEU 42 HD12 LEU 42 6.744 -0.619 1.433 8 HD13 LEU 42 HD13 LEU 42 7.739 0.558 2.288 9 HD21 LEU 42 HD21 LEU 42 4.637 -1.098 3.810 10 HD22 LEU 42 HD22 LEU 42 3.599 0.103 3.043 11 HD23 LEU 42 HD23 LEU 42 4.506 -1.041 2.051 No H/Q in entry = 11 In of MODEL 15 1 H HIS 43 H HIS 43 5.713 3.760 6.046 2 HA HIS 43 HA HIS 43 6.548 2.720 8.540 3 HB2 HIS 43 HB2 HIS 43 7.357 4.869 7.419 4 HB3 HIS 43 HB3 HIS 43 5.876 5.618 8.010 5 HD1 HIS 43 HD1 HIS 43 9.258 4.615 9.040 6 HD2 HIS 43 HD2 HIS 43 5.729 5.802 10.885 7 HE1 HIS 43 HE1 HIS 43 9.895 5.201 11.399 8 HE2 HIS 43 HE2 HIS 43 7.724 5.778 12.536 No H/Q in entry = 8 In of MODEL 15 1 H TYR 44 H TYR 44 3.703 4.734 7.656 2 HA TYR 44 HA TYR 44 2.377 4.718 10.096 3 HB2 TYR 44 HB2 TYR 44 1.289 4.581 7.282 4 HB3 TYR 44 HB3 TYR 44 0.269 4.802 8.696 5 HD1 TYR 44 HD1 TYR 44 2.374 6.582 10.123 6 HD2 TYR 44 HD2 TYR 44 0.613 6.659 6.263 7 HE1 TYR 44 HE1 TYR 44 2.786 8.991 9.998 8 HE2 TYR 44 HE2 TYR 44 1.026 9.068 6.111 9 HH TYR 44 HH TYR 44 1.369 11.022 7.844 No H/Q in entry = 9 In of MODEL 15 1 H TYR 45 H TYR 45 2.340 2.416 7.478 2 HA TYR 45 HA TYR 45 0.396 0.648 8.318 3 HB2 TYR 45 HB2 TYR 45 1.281 0.683 6.077 4 HB3 TYR 45 HB3 TYR 45 2.886 0.275 6.659 5 HD1 TYR 45 HD1 TYR 45 -0.409 -1.195 7.431 6 HD2 TYR 45 HD2 TYR 45 3.433 -1.753 5.720 7 HE1 TYR 45 HE1 TYR 45 -0.918 -3.565 7.102 8 HE2 TYR 45 HE2 TYR 45 2.947 -4.133 5.371 9 HH TYR 45 HH TYR 45 -0.262 -5.426 5.879 No H/Q in entry = 9 In of MODEL 15 1 H ASP 46 H ASP 46 3.923 0.481 8.866 2 HA ASP 46 HA ASP 46 3.710 -1.977 10.305 3 HB2 ASP 46 HB2 ASP 46 5.772 -1.291 9.065 4 HB3 ASP 46 HB3 ASP 46 6.027 -0.020 10.252 No H/Q in entry = 4 In of MODEL 15 1 H GLU 47 H GLU 47 3.288 1.299 11.176 2 HA GLU 47 HA GLU 47 3.821 0.842 13.995 3 HB2 GLU 47 HB2 GLU 47 2.842 3.271 12.485 4 HB3 GLU 47 HB3 GLU 47 3.151 3.234 14.214 5 HG2 GLU 47 HG2 GLU 47 5.251 2.599 12.167 6 HG3 GLU 47 HG3 GLU 47 4.962 4.223 12.780 No H/Q in entry = 6 In of MODEL 15 1 H LEU 48 H LEU 48 1.499 -0.287 12.211 2 HA LEU 48 HA LEU 48 -0.743 0.594 13.846 3 HB2 LEU 48 HB2 LEU 48 -0.545 -0.842 11.221 4 HB3 LEU 48 HB3 LEU 48 -2.031 -0.821 12.147 5 HG LEU 48 HG LEU 48 -0.636 1.682 11.206 6 HD11 LEU 48 HD11 LEU 48 -1.304 0.290 9.316 7 HD12 LEU 48 HD12 LEU 48 -2.928 0.164 9.992 8 HD13 LEU 48 HD13 LEU 48 -2.320 1.727 9.448 9 HD21 LEU 48 HD21 LEU 48 -3.408 1.116 12.245 10 HD22 LEU 48 HD22 LEU 48 -2.139 2.008 13.088 11 HD23 LEU 48 HD23 LEU 48 -2.854 2.667 11.616 No H/Q in entry = 11 In of MODEL 15 1 H GLU 49 H GLU 49 -2.142 -0.911 14.662 2 HA GLU 49 HA GLU 49 -1.355 -3.710 14.779 3 HB2 GLU 49 HB2 GLU 49 -1.544 -3.787 17.235 4 HB3 GLU 49 HB3 GLU 49 -0.202 -2.790 16.696 5 HG2 GLU 49 HG2 GLU 49 -1.311 -0.807 17.242 6 HG3 GLU 49 HG3 GLU 49 -2.869 -1.620 17.378 No H/Q in entry = 6 In of MODEL 15 1 H GLY 50 H GLY 50 -3.035 -4.985 16.079 2 HA2 GLY 50 HA2 GLY 50 -5.543 -3.933 16.726 3 HA3 GLY 50 HA3 GLY 50 -5.192 -5.630 16.455 No H/Q in entry = 3 In of MODEL 15 1 H ASP 51 H ASP 51 -7.494 -3.902 15.750 2 HA ASP 51 HA ASP 51 -8.109 -5.063 13.260 3 HB2 ASP 51 HB2 ASP 51 -9.425 -2.778 14.746 4 HB3 ASP 51 HB3 ASP 51 -10.096 -3.531 13.304 No H/Q in entry = 4 In of MODEL 15 1 H ALA 52 H ALA 52 -6.694 -1.960 14.126 2 HA ALA 52 HA ALA 52 -7.262 -0.669 11.670 3 HB1 ALA 52 HB1 ALA 52 -4.926 -0.156 13.502 4 HB2 ALA 52 HB2 ALA 52 -5.550 0.921 12.253 5 HB3 ALA 52 HB3 ALA 52 -6.530 0.555 13.669 No H/Q in entry = 5 In of MODEL 15 1 H LYS 53 H LYS 53 -4.428 -2.423 12.832 2 HA LYS 53 HA LYS 53 -2.840 -2.235 10.552 3 HB2 LYS 53 HB2 LYS 53 -2.372 -3.200 12.950 4 HB3 LYS 53 HB3 LYS 53 -2.863 -4.723 12.225 5 HG2 LYS 53 HG2 LYS 53 -0.673 -3.001 11.096 6 HG3 LYS 53 HG3 LYS 53 -0.391 -4.270 12.285 7 HD2 LYS 53 HD2 LYS 53 -1.264 -5.934 10.756 8 HD3 LYS 53 HD3 LYS 53 -1.659 -4.678 9.581 9 HE2 LYS 53 HE2 LYS 53 0.734 -4.109 9.417 10 HE3 LYS 53 HE3 LYS 53 1.101 -5.408 10.550 11 HZ1 LYS 53 HZ1 LYS 53 -0.188 -5.768 7.897 12 HZ2 LYS 53 HZ2 LYS 53 1.436 -6.091 8.251 13 HZ3 LYS 53 HZ3 LYS 53 0.215 -7.003 8.982 No H/Q in entry = 13 In of MODEL 15 1 H LYS 54 H LYS 54 -5.016 -4.876 11.548 2 HA LYS 54 HA LYS 54 -4.834 -6.461 9.274 3 HB2 LYS 54 HB2 LYS 54 -6.387 -7.693 10.267 4 HB3 LYS 54 HB3 LYS 54 -6.302 -6.533 11.582 5 HG2 LYS 54 HG2 LYS 54 -8.223 -5.394 10.839 6 HG3 LYS 54 HG3 LYS 54 -8.194 -6.217 9.270 7 HD2 LYS 54 HD2 LYS 54 -8.715 -8.303 10.299 8 HD3 LYS 54 HD3 LYS 54 -8.564 -7.608 11.908 9 HE2 LYS 54 HE2 LYS 54 -10.904 -7.828 11.356 10 HE3 LYS 54 HE3 LYS 54 -10.475 -6.122 11.417 11 HZ1 LYS 54 HZ1 LYS 54 -10.678 -7.714 8.918 12 HZ2 LYS 54 HZ2 LYS 54 -11.895 -6.706 9.516 13 HZ3 LYS 54 HZ3 LYS 54 -10.419 -6.041 9.027 No H/Q in entry = 13 In of MODEL 15 1 H GLU 55 H GLU 55 -6.996 -3.687 9.864 2 HA GLU 55 HA GLU 55 -8.325 -3.905 7.403 3 HB2 GLU 55 HB2 GLU 55 -7.968 -1.688 9.425 4 HB3 GLU 55 HB3 GLU 55 -8.910 -1.452 7.959 5 HG2 GLU 55 HG2 GLU 55 -9.432 -3.493 10.098 6 HG3 GLU 55 HG3 GLU 55 -10.337 -2.013 9.816 No H/Q in entry = 6 In of MODEL 15 1 H ALA 56 H ALA 56 -5.590 -1.856 8.438 2 HA ALA 56 HA ALA 56 -5.404 -0.510 6.008 3 HB1 ALA 56 HB1 ALA 56 -3.165 0.146 6.698 4 HB2 ALA 56 HB2 ALA 56 -3.112 -1.164 7.875 5 HB3 ALA 56 HB3 ALA 56 -4.230 0.182 8.104 No H/Q in entry = 5 In of MODEL 15 1 H THR 57 H THR 57 -3.753 -3.411 7.182 2 HA THR 57 HA THR 57 -2.162 -3.984 4.997 3 HB THR 57 HB THR 57 -3.620 -6.047 6.658 4 HG1 THR 57 HG1 THR 57 -2.555 -4.671 8.070 5 HG21 THR 57 HG21 THR 57 -2.402 -6.804 4.610 6 HG22 THR 57 HG22 THR 57 -0.918 -6.186 5.328 7 HG23 THR 57 HG23 THR 57 -1.797 -7.500 6.115 No H/Q in entry = 7 In of MODEL 15 1 H GLU 58 H GLU 58 -5.469 -5.060 5.666 2 HA GLU 58 HA GLU 58 -5.891 -6.541 3.306 3 HB2 GLU 58 HB2 GLU 58 -7.707 -5.246 5.311 4 HB3 GLU 58 HB3 GLU 58 -8.362 -6.000 3.862 5 HG2 GLU 58 HG2 GLU 58 -6.713 -7.328 6.000 6 HG3 GLU 58 HG3 GLU 58 -8.437 -7.546 5.703 No H/Q in entry = 6 In of MODEL 15 1 H HIS 59 H HIS 59 -6.422 -3.109 4.019 2 HA HIS 59 HA HIS 59 -7.664 -2.546 1.517 3 HB2 HIS 59 HB2 HIS 59 -6.277 -0.718 3.487 4 HB3 HIS 59 HB3 HIS 59 -7.129 -0.151 2.055 5 HD1 HIS 59 HD1 HIS 59 -9.617 -2.031 2.299 6 HD2 HIS 59 HD2 HIS 59 -8.008 0.209 5.409 7 HE1 HIS 59 HE1 HIS 59 -11.480 -1.747 3.958 8 HE2 HIS 59 HE2 HIS 59 -10.513 -0.314 5.793 No H/Q in entry = 8 In of MODEL 15 1 H LEU 60 H LEU 60 -4.358 -2.517 2.685 2 HA LEU 60 HA LEU 60 -3.239 -1.455 0.294 3 HB2 LEU 60 HB2 LEU 60 -1.963 -3.136 2.450 4 HB3 LEU 60 HB3 LEU 60 -1.095 -2.304 1.178 5 HG LEU 60 HG LEU 60 -2.676 -1.026 3.405 6 HD11 LEU 60 HD11 LEU 60 -0.506 -1.926 4.081 7 HD12 LEU 60 HD12 LEU 60 0.274 -1.020 2.784 8 HD13 LEU 60 HD13 LEU 60 -0.513 -0.163 4.109 9 HD21 LEU 60 HD21 LEU 60 -1.199 0.220 1.098 10 HD22 LEU 60 HD22 LEU 60 -2.939 0.251 1.373 11 HD23 LEU 60 HD23 LEU 60 -1.858 1.096 2.478 No H/Q in entry = 11 In of MODEL 15 1 H LYS 61 H LYS 61 -4.070 -4.683 1.423 2 HA LYS 61 HA LYS 61 -2.796 -6.136 -0.625 3 HB2 LYS 61 HB2 LYS 61 -5.251 -6.731 1.026 4 HB3 LYS 61 HB3 LYS 61 -4.621 -7.853 -0.168 5 HG2 LYS 61 HG2 LYS 61 -2.512 -7.979 1.070 6 HG3 LYS 61 HG3 LYS 61 -3.165 -6.863 2.273 7 HD2 LYS 61 HD2 LYS 61 -4.991 -8.469 2.717 8 HD3 LYS 61 HD3 LYS 61 -4.249 -9.591 1.577 9 HE2 LYS 61 HE2 LYS 61 -2.294 -9.787 2.957 10 HE3 LYS 61 HE3 LYS 61 -2.877 -8.522 4.037 11 HZ1 LYS 61 HZ1 LYS 61 -4.814 -9.991 4.510 12 HZ2 LYS 61 HZ2 LYS 61 -4.024 -11.227 3.659 13 HZ3 LYS 61 HZ3 LYS 61 -3.327 -10.593 5.062 No H/Q in entry = 13 In of MODEL 15 1 H GLY 62 H GLY 62 -6.199 -5.095 -0.319 2 HA2 GLY 62 HA2 GLY 62 -7.728 -4.496 -1.925 3 HA3 GLY 62 HA3 GLY 62 -7.001 -5.755 -2.916 No H/Q in entry = 3 In of MODEL 15 1 H GLY 63 H GLY 63 -5.584 -2.748 -1.667 2 HA2 GLY 63 HA2 GLY 63 -4.408 -1.104 -2.733 3 HA3 GLY 63 HA3 GLY 63 -5.623 -1.240 -3.996 No H/Q in entry = 3 In of MODEL 15 1 H CYS 64 H CYS 64 -3.006 -3.368 -2.856 2 HA CYS 64 HA CYS 64 -1.503 -3.000 -5.254 3 HB2 CYS 64 HB2 CYS 64 -0.406 -3.507 -3.125 4 HB3 CYS 64 HB3 CYS 64 -1.202 -5.080 -3.082 No H/Q in entry = 4 In of MODEL 15 1 H ARG 65 H ARG 65 -3.964 -5.225 -4.212 2 HA ARG 65 HA ARG 65 -3.689 -7.207 -6.175 3 HB2 ARG 65 HB2 ARG 65 -5.296 -7.358 -4.297 4 HB3 ARG 65 HB3 ARG 65 -6.243 -6.060 -5.009 5 HG2 ARG 65 HG2 ARG 65 -7.352 -8.067 -5.549 6 HG3 ARG 65 HG3 ARG 65 -6.544 -7.539 -7.025 7 HD2 ARG 65 HD2 ARG 65 -6.254 -9.925 -6.732 8 HD3 ARG 65 HD3 ARG 65 -4.703 -9.104 -6.554 9 HE ARG 65 HE ARG 65 -5.786 -9.336 -4.012 10 HH11 ARG 65 HH11 ARG 65 -4.759 -11.513 -6.552 11 HH12 ARG 65 HH12 ARG 65 -4.250 -12.755 -5.453 12 HH21 ARG 65 HH21 ARG 65 -5.117 -10.972 -2.563 13 HH22 ARG 65 HH22 ARG 65 -4.454 -12.451 -3.188 No H/Q in entry = 13 In of MODEL 15 1 H GLU 66 H GLU 66 -5.370 -4.095 -6.199 2 HA GLU 66 HA GLU 66 -6.280 -4.216 -8.861 3 HB2 GLU 66 HB2 GLU 66 -5.598 -1.797 -7.184 4 HB3 GLU 66 HB3 GLU 66 -6.525 -1.768 -8.677 5 HG2 GLU 66 HG2 GLU 66 -7.314 -3.125 -6.108 6 HG3 GLU 66 HG3 GLU 66 -7.990 -1.632 -6.758 No H/Q in entry = 6 In of MODEL 15 1 H ILE 67 H ILE 67 -3.242 -3.171 -7.426 2 HA ILE 67 HA ILE 67 -2.089 -2.137 -9.801 3 HB ILE 67 HB ILE 67 -0.754 -3.310 -7.358 4 HG12 ILE 67 HG12 ILE 67 -1.215 -0.446 -8.221 5 HG13 ILE 67 HG13 ILE 67 -2.126 -1.289 -6.973 6 HG21 ILE 67 HG21 ILE 67 0.745 -3.430 -9.292 7 HG22 ILE 67 HG22 ILE 67 0.467 -1.718 -9.617 8 HG23 ILE 67 HG23 ILE 67 1.293 -2.211 -8.140 9 HD11 ILE 67 HD11 ILE 67 0.816 -0.667 -6.890 10 HD12 ILE 67 HD12 ILE 67 -0.456 0.192 -6.018 11 HD13 ILE 67 HD13 ILE 67 -0.105 -1.493 -5.632 No H/Q in entry = 11 In of MODEL 15 1 H LEU 68 H LEU 68 -1.939 -5.341 -8.272 2 HA LEU 68 HA LEU 68 -0.339 -6.562 -10.252 3 HB2 LEU 68 HB2 LEU 68 -0.904 -7.406 -7.913 4 HB3 LEU 68 HB3 LEU 68 -2.432 -7.948 -8.580 5 HG LEU 68 HG LEU 68 -1.276 -9.465 -10.088 6 HD11 LEU 68 HD11 LEU 68 1.234 -8.364 -8.833 7 HD12 LEU 68 HD12 LEU 68 1.164 -9.771 -9.892 8 HD13 LEU 68 HD13 LEU 68 0.727 -8.179 -10.513 9 HD21 LEU 68 HD21 LEU 68 -1.853 -10.251 -7.842 10 HD22 LEU 68 HD22 LEU 68 -0.378 -11.014 -8.437 11 HD23 LEU 68 HD23 LEU 68 -0.281 -9.713 -7.251 No H/Q in entry = 11 In of MODEL 15 1 H LYS 69 H LYS 69 -3.708 -5.858 -9.990 2 HA LYS 69 HA LYS 69 -4.584 -7.363 -12.207 3 HB2 LYS 69 HB2 LYS 69 -5.693 -4.934 -10.833 4 HB3 LYS 69 HB3 LYS 69 -6.453 -5.584 -12.276 5 HG2 LYS 69 HG2 LYS 69 -6.773 -7.723 -11.146 6 HG3 LYS 69 HG3 LYS 69 -6.015 -7.062 -9.693 7 HD2 LYS 69 HD2 LYS 69 -7.761 -5.392 -9.510 8 HD3 LYS 69 HD3 LYS 69 -8.491 -5.960 -11.012 9 HE2 LYS 69 HE2 LYS 69 -9.059 -8.058 -10.018 10 HE3 LYS 69 HE3 LYS 69 -8.145 -7.669 -8.557 11 HZ1 LYS 69 HZ1 LYS 69 -9.681 -5.838 -8.140 12 HZ2 LYS 69 HZ2 LYS 69 -10.577 -6.260 -9.515 13 HZ3 LYS 69 HZ3 LYS 69 -10.497 -7.324 -8.205 No H/Q in entry = 13 In of MODEL 15 1 H HIS 70 H HIS 70 -2.524 -4.769 -12.064 2 HA HIS 70 HA HIS 70 -3.181 -3.870 -14.771 3 HB2 HIS 70 HB2 HIS 70 -3.114 -2.039 -13.138 4 HB3 HIS 70 HB3 HIS 70 -1.496 -2.521 -12.645 5 HD1 HIS 70 HD1 HIS 70 -3.219 -0.277 -14.881 6 HD2 HIS 70 HD2 HIS 70 0.436 -2.258 -14.854 7 HE1 HIS 70 HE1 HIS 70 -1.796 0.923 -16.572 8 HE2 HIS 70 HE2 HIS 70 0.319 -0.438 -16.699 No H/Q in entry = 8 In of MODEL 15 1 H VAL 71 H VAL 71 -0.487 -4.569 -12.598 2 HA VAL 71 HA VAL 71 1.451 -4.473 -14.598 3 HB VAL 71 HB VAL 71 2.052 -3.912 -12.384 4 HG11 VAL 71 HG11 VAL 71 1.294 -6.659 -11.576 5 HG12 VAL 71 HG12 VAL 71 2.136 -5.478 -10.558 6 HG13 VAL 71 HG13 VAL 71 0.499 -5.144 -11.146 7 HG21 VAL 71 HG21 VAL 71 3.352 -6.445 -13.258 8 HG22 VAL 71 HG22 VAL 71 3.880 -4.789 -13.553 9 HG23 VAL 71 HG23 VAL 71 3.938 -5.451 -11.923 No H/Q in entry = 9 In of MODEL 15 1 H VAL 72 H VAL 72 0.088 -7.338 -12.889 2 HA VAL 72 HA VAL 72 1.362 -8.924 -14.964 3 HB VAL 72 HB VAL 72 1.310 -9.613 -12.471 4 HG11 VAL 72 HG11 VAL 72 -1.417 -10.548 -13.310 5 HG12 VAL 72 HG12 VAL 72 -0.566 -11.063 -11.853 6 HG13 VAL 72 HG13 VAL 72 -1.048 -9.376 -12.048 7 HG21 VAL 72 HG21 VAL 72 2.124 -10.893 -14.427 8 HG22 VAL 72 HG22 VAL 72 1.528 -11.874 -13.098 9 HG23 VAL 72 HG23 VAL 72 0.530 -11.642 -14.530 No H/Q in entry = 9 In of MODEL 15 1 H GLY 73 H GLY 73 -1.885 -8.117 -13.794 2 HA2 GLY 73 HA2 GLY 73 -2.933 -9.195 -16.335 3 HA3 GLY 73 HA3 GLY 73 -3.548 -7.736 -15.572 No H/Q in entry = 3 In of MODEL 15 1 H GLU 74 H GLU 74 -5.535 -9.117 -15.992 2 HA GLU 74 HA GLU 74 -6.541 -9.953 -13.502 3 HB2 GLU 74 HB2 GLU 74 -7.608 -10.134 -16.306 4 HB3 GLU 74 HB3 GLU 74 -8.508 -10.748 -14.924 5 HG2 GLU 74 HG2 GLU 74 -7.489 -7.937 -14.990 6 HG3 GLU 74 HG3 GLU 74 -9.018 -8.384 -15.745 No H/Q in entry = 6 In of MODEL 15 1 H GLU 75 H GLU 75 -5.658 -11.818 -16.396 2 HA GLU 75 HA GLU 75 -6.259 -14.403 -15.818 3 HB2 GLU 75 HB2 GLU 75 -5.035 -13.776 -17.805 4 HB3 GLU 75 HB3 GLU 75 -3.632 -13.338 -16.848 5 HG2 GLU 75 HG2 GLU 75 -3.527 -15.728 -16.092 6 HG3 GLU 75 HG3 GLU 75 -4.761 -16.081 -17.302 No H/Q in entry = 6 In of MODEL 15 1 H LYS 76 H LYS 76 -3.213 -12.933 -14.754 2 HA LYS 76 HA LYS 76 -2.480 -15.224 -13.255 3 HB2 LYS 76 HB2 LYS 76 -0.846 -13.766 -14.283 4 HB3 LYS 76 HB3 LYS 76 -1.377 -12.425 -13.293 5 HG2 LYS 76 HG2 LYS 76 0.740 -13.507 -12.584 6 HG3 LYS 76 HG3 LYS 76 -0.490 -13.389 -11.337 7 HD2 LYS 76 HD2 LYS 76 0.390 -15.559 -11.122 8 HD3 LYS 76 HD3 LYS 76 -1.118 -15.785 -12.000 9 HE2 LYS 76 HE2 LYS 76 1.577 -15.569 -13.322 10 HE3 LYS 76 HE3 LYS 76 0.829 -17.093 -12.870 11 HZ1 LYS 76 HZ1 LYS 76 -1.050 -16.505 -14.339 12 HZ2 LYS 76 HZ2 LYS 76 -0.185 -15.139 -14.854 13 HZ3 LYS 76 HZ3 LYS 76 0.419 -16.682 -15.162 No H/Q in entry = 13 In of MODEL 15 1 H ALA 77 H ALA 77 -3.645 -11.987 -12.298 2 HA ALA 77 HA ALA 77 -3.411 -12.394 -9.524 3 HB1 ALA 77 HB1 ALA 77 -4.940 -10.485 -9.303 4 HB2 ALA 77 HB2 ALA 77 -5.325 -10.594 -11.020 5 HB3 ALA 77 HB3 ALA 77 -3.691 -10.173 -10.509 No H/Q in entry = 5 In of MODEL 15 1 H ALA 78 H ALA 78 -5.871 -13.273 -11.839 2 HA ALA 78 HA ALA 78 -7.892 -13.991 -9.970 3 HB1 ALA 78 HB1 ALA 78 -8.523 -13.502 -12.215 4 HB2 ALA 78 HB2 ALA 78 -8.855 -15.214 -11.942 5 HB3 ALA 78 HB3 ALA 78 -7.423 -14.723 -12.859 No H/Q in entry = 5 In of MODEL 15 1 H GLU 79 H GLU 79 -5.397 -15.828 -11.721 2 HA GLU 79 HA GLU 79 -6.174 -18.341 -10.671 3 HB2 GLU 79 HB2 GLU 79 -4.378 -19.252 -11.793 4 HB3 GLU 79 HB3 GLU 79 -4.796 -17.843 -12.754 5 HG2 GLU 79 HG2 GLU 79 -3.045 -16.593 -11.590 6 HG3 GLU 79 HG3 GLU 79 -2.583 -18.086 -10.783 No H/Q in entry = 6 In of MODEL 15 1 H LEU 80 H LEU 80 -4.195 -15.791 -9.487 2 HA LEU 80 HA LEU 80 -2.963 -17.324 -7.412 3 HB2 LEU 80 HB2 LEU 80 -3.300 -14.351 -7.778 4 HB3 LEU 80 HB3 LEU 80 -2.311 -15.095 -6.533 5 HG LEU 80 HG LEU 80 -1.867 -15.514 -9.483 6 HD11 LEU 80 HD11 LEU 80 -0.570 -13.574 -7.589 7 HD12 LEU 80 HD12 LEU 80 0.045 -13.976 -9.194 8 HD13 LEU 80 HD13 LEU 80 -1.534 -13.200 -9.021 9 HD21 LEU 80 HD21 LEU 80 -1.023 -17.279 -8.046 10 HD22 LEU 80 HD22 LEU 80 0.303 -16.353 -8.755 11 HD23 LEU 80 HD23 LEU 80 -0.160 -16.089 -7.072 No H/Q in entry = 11 In of MODEL 15 1 H LYS 81 H LYS 81 -5.823 -15.308 -7.687 2 HA LYS 81 HA LYS 81 -6.444 -15.321 -4.915 3 HB2 LYS 81 HB2 LYS 81 -7.324 -13.676 -6.602 4 HB3 LYS 81 HB3 LYS 81 -8.348 -14.955 -7.237 5 HG2 LYS 81 HG2 LYS 81 -9.593 -13.496 -5.753 6 HG3 LYS 81 HG3 LYS 81 -9.482 -15.123 -5.082 7 HD2 LYS 81 HD2 LYS 81 -7.756 -14.437 -3.556 8 HD3 LYS 81 HD3 LYS 81 -7.662 -12.846 -4.311 9 HE2 LYS 81 HE2 LYS 81 -8.911 -12.784 -2.200 10 HE3 LYS 81 HE3 LYS 81 -9.919 -12.334 -3.573 11 HZ1 LYS 81 HZ1 LYS 81 -10.841 -14.571 -3.574 12 HZ2 LYS 81 HZ2 LYS 81 -9.883 -14.990 -2.249 13 HZ3 LYS 81 HZ3 LYS 81 -11.087 -13.818 -2.083 No H/Q in entry = 13 In of MODEL 15 1 H ASN 82 H ASN 82 -7.412 -17.289 -7.684 2 HA ASN 82 HA ASN 82 -9.092 -19.039 -6.189 3 HB2 ASN 82 HB2 ASN 82 -9.218 -18.751 -8.669 4 HB3 ASN 82 HB3 ASN 82 -7.677 -19.581 -8.808 5 HD21 ASN 82 HD21 ASN 82 -7.579 -21.788 -8.541 6 HD22 ASN 82 HD22 ASN 82 -8.992 -22.784 -8.442 No H/Q in entry = 6 In of MODEL 15 1 H LEU 83 H LEU 83 -5.647 -18.915 -6.852 2 HA LEU 83 HA LEU 83 -4.991 -21.564 -6.285 3 HB2 LEU 83 HB2 LEU 83 -3.638 -19.035 -6.555 4 HB3 LEU 83 HB3 LEU 83 -2.954 -19.952 -5.242 5 HG LEU 83 HG LEU 83 -3.215 -20.912 -8.089 6 HD11 LEU 83 HD11 LEU 83 -0.802 -20.041 -6.507 7 HD12 LEU 83 HD12 LEU 83 -0.770 -20.750 -8.120 8 HD13 LEU 83 HD13 LEU 83 -1.533 -19.182 -7.862 9 HD21 LEU 83 HD21 LEU 83 -3.384 -22.727 -6.424 10 HD22 LEU 83 HD22 LEU 83 -1.917 -22.830 -7.397 11 HD23 LEU 83 HD23 LEU 83 -1.838 -22.220 -5.745 No H/Q in entry = 11 In of MODEL 15 1 H LYS 84 H LYS 84 -5.008 -18.731 -4.164 2 HA LYS 84 HA LYS 84 -4.513 -19.991 -1.738 3 HB2 LYS 84 HB2 LYS 84 -4.564 -17.560 -1.964 4 HB3 LYS 84 HB3 LYS 84 -6.288 -17.606 -2.282 5 HG2 LYS 84 HG2 LYS 84 -6.740 -18.361 -0.051 6 HG3 LYS 84 HG3 LYS 84 -5.018 -18.523 0.288 7 HD2 LYS 84 HD2 LYS 84 -4.714 -16.134 0.087 8 HD3 LYS 84 HD3 LYS 84 -6.398 -15.931 -0.399 9 HE2 LYS 84 HE2 LYS 84 -6.040 -15.349 1.958 10 HE3 LYS 84 HE3 LYS 84 -7.147 -16.707 1.772 11 HZ1 LYS 84 HZ1 LYS 84 -4.270 -16.906 2.475 12 HZ2 LYS 84 HZ2 LYS 84 -5.562 -17.087 3.550 13 HZ3 LYS 84 HZ3 LYS 84 -5.334 -18.208 2.307 No H/Q in entry = 13 In of MODEL 15 1 H ASP 85 H ASP 85 -7.564 -19.474 -3.414 2 HA ASP 85 HA ASP 85 -9.264 -20.526 -1.419 3 HB2 ASP 85 HB2 ASP 85 -9.953 -19.087 -3.362 4 HB3 ASP 85 HB3 ASP 85 -9.751 -20.496 -4.399 No H/Q in entry = 4 In of MODEL 15 1 H SER 86 H SER 86 -7.542 -22.045 -4.091 2 HA SER 86 HA SER 86 -8.785 -24.605 -3.696 3 HB2 SER 86 HB2 SER 86 -6.291 -23.856 -5.244 4 HB3 SER 86 HB3 SER 86 -7.122 -25.409 -5.330 5 HG SER 86 HG SER 86 -8.586 -23.069 -5.820 No H/Q in entry = 5 In of MODEL 15 1 H GLY 87 H GLY 87 -6.332 -22.881 -2.150 2 HA2 GLY 87 HA2 GLY 87 -5.477 -25.350 -0.774 3 HA3 GLY 87 HA3 GLY 87 -5.625 -23.785 0.007 No H/Q in entry = 3 In of MODEL 15 1 H ALA 88 H ALA 88 -4.345 -22.244 -2.035 2 HA ALA 88 HA ALA 88 -1.667 -23.275 -2.176 3 HB1 ALA 88 HB1 ALA 88 -2.673 -20.492 -2.769 4 HB2 ALA 88 HB2 ALA 88 -2.506 -21.801 -3.938 5 HB3 ALA 88 HB3 ALA 88 -1.073 -21.121 -3.163 No H/Q in entry = 5 In of MODEL 15 1 H SER 89 H SER 89 -0.234 -23.039 -0.663 2 HA SER 89 HA SER 89 -0.718 -21.710 1.798 3 HB2 SER 89 HB2 SER 89 1.636 -22.479 2.270 4 HB3 SER 89 HB3 SER 89 0.525 -23.765 1.817 5 HG SER 89 HG SER 89 1.692 -24.136 0.112 No H/Q in entry = 5 In of MODEL 15 1 H LYS 90 H LYS 90 1.363 -20.424 2.647 2 HA LYS 90 HA LYS 90 1.359 -17.944 1.378 3 HB2 LYS 90 HB2 LYS 90 3.511 -19.065 3.181 4 HB3 LYS 90 HB3 LYS 90 3.217 -17.365 2.846 5 HG2 LYS 90 HG2 LYS 90 1.054 -17.501 3.937 6 HG3 LYS 90 HG3 LYS 90 1.298 -19.223 4.230 7 HD2 LYS 90 HD2 LYS 90 3.281 -18.682 5.587 8 HD3 LYS 90 HD3 LYS 90 2.957 -16.965 5.339 9 HE2 LYS 90 HE2 LYS 90 1.140 -18.946 6.704 10 HE3 LYS 90 HE3 LYS 90 2.115 -17.712 7.499 11 HZ1 LYS 90 HZ1 LYS 90 0.838 -16.023 6.299 12 HZ2 LYS 90 HZ2 LYS 90 -0.132 -17.228 5.621 13 HZ3 LYS 90 HZ3 LYS 90 -0.145 -16.969 7.294 No H/Q in entry = 13 In of MODEL 15 1 H GLU 91 H GLU 91 3.313 -20.768 0.831 2 HA GLU 91 HA GLU 91 5.436 -19.303 -0.460 3 HB2 GLU 91 HB2 GLU 91 4.999 -22.273 -0.158 4 HB3 GLU 91 HB3 GLU 91 6.460 -21.518 -0.780 5 HG2 GLU 91 HG2 GLU 91 6.794 -20.403 1.367 6 HG3 GLU 91 HG3 GLU 91 5.338 -21.177 1.988 No H/Q in entry = 6 In of MODEL 15 1 H GLU 92 H GLU 92 2.910 -21.559 -1.515 2 HA GLU 92 HA GLU 92 3.500 -21.664 -4.216 3 HB2 GLU 92 HB2 GLU 92 0.813 -21.715 -2.846 4 HB3 GLU 92 HB3 GLU 92 1.151 -22.284 -4.468 5 HG2 GLU 92 HG2 GLU 92 2.345 -23.404 -1.965 6 HG3 GLU 92 HG3 GLU 92 0.986 -24.079 -2.845 No H/Q in entry = 6 In of MODEL 15 1 H LEU 93 H LEU 93 1.517 -19.415 -2.343 2 HA LEU 93 HA LEU 93 1.115 -17.690 -4.588 3 HB2 LEU 93 HB2 LEU 93 0.989 -17.104 -1.624 4 HB3 LEU 93 HB3 LEU 93 0.510 -15.969 -2.878 5 HG LEU 93 HG LEU 93 -0.760 -18.651 -2.313 6 HD11 LEU 93 HD11 LEU 93 -1.778 -15.843 -1.987 7 HD12 LEU 93 HD12 LEU 93 -2.739 -17.311 -1.803 8 HD13 LEU 93 HD13 LEU 93 -1.402 -16.992 -0.700 9 HD21 LEU 93 HD21 LEU 93 -1.352 -16.623 -4.462 10 HD22 LEU 93 HD22 LEU 93 -0.788 -18.278 -4.686 11 HD23 LEU 93 HD23 LEU 93 -2.401 -17.976 -4.042 No H/Q in entry = 11 In of MODEL 15 1 H LYS 94 H LYS 94 3.668 -17.851 -2.052 2 HA LYS 94 HA LYS 94 4.609 -15.273 -2.718 3 HB2 LYS 94 HB2 LYS 94 5.071 -16.405 -0.559 4 HB3 LYS 94 HB3 LYS 94 6.143 -17.516 -1.396 5 HG2 LYS 94 HG2 LYS 94 7.611 -15.683 -2.004 6 HG3 LYS 94 HG3 LYS 94 6.521 -14.535 -1.221 7 HD2 LYS 94 HD2 LYS 94 6.876 -15.694 0.918 8 HD3 LYS 94 HD3 LYS 94 8.009 -16.787 0.123 9 HE2 LYS 94 HE2 LYS 94 9.488 -14.955 -0.382 10 HE3 LYS 94 HE3 LYS 94 8.325 -13.792 0.254 11 HZ1 LYS 94 HZ1 LYS 94 8.564 -14.804 2.433 12 HZ2 LYS 94 HZ2 LYS 94 9.695 -15.905 1.824 13 HZ3 LYS 94 HZ3 LYS 94 10.062 -14.254 1.863 No H/Q in entry = 13 In of MODEL 15 1 H ALA 95 H ALA 95 5.542 -18.482 -3.745 2 HA ALA 95 HA ALA 95 7.795 -17.464 -5.227 3 HB1 ALA 95 HB1 ALA 95 7.930 -19.624 -4.095 4 HB2 ALA 95 HB2 ALA 95 6.648 -20.245 -5.134 5 HB3 ALA 95 HB3 ALA 95 8.197 -19.778 -5.831 No H/Q in entry = 5 In of MODEL 15 1 H LYS 96 H LYS 96 4.620 -18.931 -5.986 2 HA LYS 96 HA LYS 96 5.061 -18.936 -8.789 3 HB2 LYS 96 HB2 LYS 96 2.608 -19.089 -7.082 4 HB3 LYS 96 HB3 LYS 96 2.506 -19.065 -8.829 5 HG2 LYS 96 HG2 LYS 96 4.073 -21.069 -7.221 6 HG3 LYS 96 HG3 LYS 96 2.462 -21.339 -7.887 7 HD2 LYS 96 HD2 LYS 96 4.752 -20.526 -9.644 8 HD3 LYS 96 HD3 LYS 96 4.492 -22.208 -9.207 9 HE2 LYS 96 HE2 LYS 96 2.403 -20.451 -10.468 10 HE3 LYS 96 HE3 LYS 96 3.469 -21.517 -11.382 11 HZ1 LYS 96 HZ1 LYS 96 2.568 -23.401 -10.158 12 HZ2 LYS 96 HZ2 LYS 96 1.537 -22.378 -9.290 13 HZ3 LYS 96 HZ3 LYS 96 1.337 -22.564 -10.956 No H/Q in entry = 13 In of MODEL 15 1 H VAL 97 H VAL 97 4.182 -16.446 -6.608 2 HA VAL 97 HA VAL 97 3.080 -14.597 -8.493 3 HB VAL 97 HB VAL 97 4.200 -14.308 -5.706 4 HG11 VAL 97 HG11 VAL 97 4.794 -12.279 -6.917 5 HG12 VAL 97 HG12 VAL 97 3.118 -12.091 -7.433 6 HG13 VAL 97 HG13 VAL 97 3.534 -11.966 -5.723 7 HG21 VAL 97 HG21 VAL 97 1.979 -15.297 -5.971 8 HG22 VAL 97 HG22 VAL 97 1.921 -13.747 -5.130 9 HG23 VAL 97 HG23 VAL 97 1.440 -13.849 -6.828 No H/Q in entry = 9 In of MODEL 15 1 H GLU 98 H GLU 98 6.286 -15.462 -7.367 2 HA GLU 98 HA GLU 98 7.730 -13.259 -8.342 3 HB2 GLU 98 HB2 GLU 98 8.668 -16.131 -8.178 4 HB3 GLU 98 HB3 GLU 98 9.690 -14.703 -8.261 5 HG2 GLU 98 HG2 GLU 98 7.786 -15.286 -6.011 6 HG3 GLU 98 HG3 GLU 98 9.495 -15.712 -6.001 No H/Q in entry = 6 In of MODEL 15 1 H GLU 99 H GLU 99 6.557 -16.188 -9.881 2 HA GLU 99 HA GLU 99 7.924 -15.772 -12.361 3 HB2 GLU 99 HB2 GLU 99 5.440 -17.409 -11.797 4 HB3 GLU 99 HB3 GLU 99 6.433 -17.510 -13.243 5 HG2 GLU 99 HG2 GLU 99 7.250 -18.252 -10.445 6 HG3 GLU 99 HG3 GLU 99 6.920 -19.354 -11.779 No H/Q in entry = 6 In of MODEL 15 1 H ALA 100 H ALA 100 4.776 -14.983 -11.047 2 HA ALA 100 HA ALA 100 3.557 -13.907 -13.325 3 HB1 ALA 100 HB1 ALA 100 3.296 -13.309 -10.381 4 HB2 ALA 100 HB2 ALA 100 2.248 -14.313 -11.384 5 HB3 ALA 100 HB3 ALA 100 2.265 -12.564 -11.599 No H/Q in entry = 5 In of MODEL 15 1 H LEU 101 H LEU 101 5.202 -12.204 -10.679 2 HA LEU 101 HA LEU 101 5.316 -9.703 -11.945 3 HB2 LEU 101 HB2 LEU 101 6.735 -10.964 -9.634 4 HB3 LEU 101 HB3 LEU 101 7.245 -9.391 -10.211 5 HG LEU 101 HG LEU 101 5.659 -9.410 -8.249 6 HD11 LEU 101 HD11 LEU 101 4.810 -7.918 -10.724 7 HD12 LEU 101 HD12 LEU 101 4.358 -7.507 -9.070 8 HD13 LEU 101 HD13 LEU 101 6.046 -7.410 -9.572 9 HD21 LEU 101 HD21 LEU 101 4.161 -11.175 -9.026 10 HD22 LEU 101 HD22 LEU 101 3.290 -9.681 -8.685 11 HD23 LEU 101 HD23 LEU 101 3.635 -10.140 -10.352 No H/Q in entry = 11 In of MODEL 15 1 H HIS 102 H HIS 102 7.135 -12.525 -12.545 2 HA HIS 102 HA HIS 102 9.377 -11.028 -13.575 3 HB2 HIS 102 HB2 HIS 102 9.540 -13.339 -12.454 4 HB3 HIS 102 HB3 HIS 102 8.907 -13.989 -13.960 5 HD1 HIS 102 HD1 HIS 102 10.489 -13.397 -16.146 6 HD2 HIS 102 HD2 HIS 102 12.203 -13.140 -12.370 7 HE1 HIS 102 HE1 HIS 102 12.972 -13.454 -16.527 8 HE2 HIS 102 HE2 HIS 102 13.983 -13.460 -14.217 No H/Q in entry = 8 In of MODEL 15 1 H ALA 103 H ALA 103 6.762 -13.096 -14.766 2 HA ALA 103 HA ALA 103 7.554 -13.116 -17.454 3 HB1 ALA 103 HB1 ALA 103 4.883 -13.695 -16.172 4 HB2 ALA 103 HB2 ALA 103 6.172 -14.853 -16.517 5 HB3 ALA 103 HB3 ALA 103 5.301 -14.082 -17.844 No H/Q in entry = 5 In of MODEL 15 1 H VAL 104 H VAL 104 6.410 -10.482 -15.821 2 HA VAL 104 HA VAL 104 4.826 -9.427 -17.971 3 HB VAL 104 HB VAL 104 3.975 -8.918 -15.867 4 HG11 VAL 104 HG11 VAL 104 5.910 -9.476 -14.561 5 HG12 VAL 104 HG12 VAL 104 6.708 -7.993 -15.082 6 HG13 VAL 104 HG13 VAL 104 5.263 -7.910 -14.075 7 HG21 VAL 104 HG21 VAL 104 5.528 -6.523 -16.805 8 HG22 VAL 104 HG22 VAL 104 3.912 -6.992 -17.325 9 HG23 VAL 104 HG23 VAL 104 4.184 -6.469 -15.666 No H/Q in entry = 9 In of MODEL 15 1 H THR 105 H THR 105 5.385 -7.606 -19.187 2 HA THR 105 HA THR 105 8.202 -6.798 -19.079 3 HB THR 105 HB THR 105 8.354 -7.153 -21.584 4 HG1 THR 105 HG1 THR 105 6.577 -9.214 -21.584 5 HG21 THR 105 HG21 THR 105 8.070 -9.591 -19.825 6 HG22 THR 105 HG22 THR 105 8.896 -9.543 -21.380 7 HG23 THR 105 HG23 THR 105 9.524 -8.613 -20.021 No H/Q in entry = 7 In of MODEL 15 1 H ASP 106 H ASP 106 5.055 -5.737 -19.363 2 HA ASP 106 HA ASP 106 5.634 -3.567 -21.166 3 HB2 ASP 106 HB2 ASP 106 3.323 -4.546 -20.765 4 HB3 ASP 106 HB3 ASP 106 3.351 -3.735 -19.209 No H/Q in entry = 4 In of MODEL 15 1 H GLU 107 H GLU 107 6.341 -1.595 -20.679 2 HA GLU 107 HA GLU 107 8.100 -1.418 -18.572 3 HB2 GLU 107 HB2 GLU 107 6.954 0.786 -20.272 4 HB3 GLU 107 HB3 GLU 107 8.347 0.969 -19.214 5 HG2 GLU 107 HG2 GLU 107 9.577 -0.672 -20.488 6 HG3 GLU 107 HG3 GLU 107 8.167 -0.972 -21.503 No H/Q in entry = 6 In of MODEL 15 1 H GLU 108 H GLU 108 5.056 0.390 -18.880 2 HA GLU 108 HA GLU 108 5.170 1.736 -16.445 3 HB2 GLU 108 HB2 GLU 108 2.761 0.717 -17.949 4 HB3 GLU 108 HB3 GLU 108 2.651 1.755 -16.536 5 HG2 GLU 108 HG2 GLU 108 4.071 3.413 -17.791 6 HG3 GLU 108 HG3 GLU 108 3.830 2.402 -19.217 No H/Q in entry = 6 In of MODEL 15 1 H LYS 109 H LYS 109 3.968 -1.508 -17.163 2 HA LYS 109 HA LYS 109 2.973 -2.148 -14.622 3 HB2 LYS 109 HB2 LYS 109 4.179 -3.942 -16.742 4 HB3 LYS 109 HB3 LYS 109 3.218 -4.494 -15.382 5 HG2 LYS 109 HG2 LYS 109 1.307 -3.217 -16.231 6 HG3 LYS 109 HG3 LYS 109 2.277 -2.716 -17.615 7 HD2 LYS 109 HD2 LYS 109 2.567 -5.119 -18.201 8 HD3 LYS 109 HD3 LYS 109 1.469 -5.529 -16.885 9 HE2 LYS 109 HE2 LYS 109 -0.308 -4.248 -17.945 10 HE3 LYS 109 HE3 LYS 109 0.787 -3.781 -19.242 11 HZ1 LYS 109 HZ1 LYS 109 -0.068 -6.555 -18.620 12 HZ2 LYS 109 HZ2 LYS 109 -0.639 -5.611 -19.901 13 HZ3 LYS 109 HZ3 LYS 109 0.975 -6.105 -19.871 No H/Q in entry = 13 In of MODEL 15 1 H LYS 110 H LYS 110 6.206 -2.581 -16.043 2 HA LYS 110 HA LYS 110 7.247 -3.950 -13.762 3 HB2 LYS 110 HB2 LYS 110 8.681 -2.627 -16.063 4 HB3 LYS 110 HB3 LYS 110 9.452 -3.646 -14.858 5 HG2 LYS 110 HG2 LYS 110 7.956 -5.506 -15.585 6 HG3 LYS 110 HG3 LYS 110 7.396 -4.463 -16.894 7 HD2 LYS 110 HD2 LYS 110 10.258 -5.296 -16.419 8 HD3 LYS 110 HD3 LYS 110 9.181 -6.001 -17.623 9 HE2 LYS 110 HE2 LYS 110 9.004 -3.836 -18.741 10 HE3 LYS 110 HE3 LYS 110 10.048 -3.113 -17.519 11 HZ1 LYS 110 HZ1 LYS 110 10.846 -5.287 -19.371 12 HZ2 LYS 110 HZ2 LYS 110 11.259 -3.659 -19.547 13 HZ3 LYS 110 HZ3 LYS 110 11.844 -4.544 -18.230 No H/Q in entry = 13 In of MODEL 15 1 H GLN 111 H GLN 111 6.880 -0.659 -14.607 2 HA GLN 111 HA GLN 111 8.612 0.495 -12.711 3 HB2 GLN 111 HB2 GLN 111 7.369 1.750 -14.473 4 HB3 GLN 111 HB3 GLN 111 5.884 1.496 -13.568 5 HG2 GLN 111 HG2 GLN 111 6.827 3.736 -13.246 6 HG3 GLN 111 HG3 GLN 111 6.716 2.824 -11.743 7 HE21 GLN 111 HE21 GLN 111 8.545 2.262 -10.666 8 HE22 GLN 111 HE22 GLN 111 10.119 2.840 -11.094 No H/Q in entry = 8 In of MODEL 15 1 H TYR 112 H TYR 112 5.367 -0.855 -12.423 2 HA TYR 112 HA TYR 112 4.956 -0.081 -9.687 3 HB2 TYR 112 HB2 TYR 112 3.639 -2.297 -11.279 4 HB3 TYR 112 HB3 TYR 112 3.072 -1.668 -9.736 5 HD1 TYR 112 HD1 TYR 112 3.329 1.231 -10.094 6 HD2 TYR 112 HD2 TYR 112 2.035 -1.752 -12.834 7 HE1 TYR 112 HE1 TYR 112 2.024 2.925 -11.311 8 HE2 TYR 112 HE2 TYR 112 0.739 -0.064 -14.058 9 HH TYR 112 HH TYR 112 1.119 3.247 -13.597 No H/Q in entry = 9 In of MODEL 15 1 H ILE 113 H ILE 113 6.271 -2.879 -11.345 2 HA ILE 113 HA ILE 113 6.558 -4.639 -9.214 3 HB ILE 113 HB ILE 113 8.508 -4.194 -11.474 4 HG12 ILE 113 HG12 ILE 113 6.155 -6.071 -11.196 5 HG13 ILE 113 HG13 ILE 113 6.239 -4.666 -12.253 6 HG21 ILE 113 HG21 ILE 113 8.132 -6.558 -9.634 7 HG22 ILE 113 HG22 ILE 113 9.194 -6.518 -11.043 8 HG23 ILE 113 HG23 ILE 113 9.516 -5.465 -9.663 9 HD11 ILE 113 HD11 ILE 113 8.148 -5.745 -13.410 10 HD12 ILE 113 HD12 ILE 113 7.851 -7.182 -12.435 11 HD13 ILE 113 HD13 ILE 113 6.618 -6.607 -13.556 No H/Q in entry = 11 In of MODEL 15 1 H ALA 114 H ALA 114 8.719 -2.045 -10.317 2 HA ALA 114 HA ALA 114 10.671 -2.477 -8.289 3 HB1 ALA 114 HB1 ALA 114 11.300 -1.461 -10.396 4 HB2 ALA 114 HB2 ALA 114 11.618 -0.325 -9.085 5 HB3 ALA 114 HB3 ALA 114 10.197 -0.115 -10.115 No H/Q in entry = 5 In of MODEL 15 1 H ASP 115 H ASP 115 8.024 -0.167 -8.727 2 HA ASP 115 HA ASP 115 8.623 1.340 -6.401 3 HB2 ASP 115 HB2 ASP 115 6.078 1.122 -8.013 4 HB3 ASP 115 HB3 ASP 115 6.286 2.239 -6.669 No H/Q in entry = 4 In of MODEL 15 1 H PHE 116 H PHE 116 6.054 -1.053 -7.013 2 HA PHE 116 HA PHE 116 5.403 -0.904 -4.162 3 HB2 PHE 116 HB2 PHE 116 3.799 -0.962 -6.527 4 HB3 PHE 116 HB3 PHE 116 3.455 -2.414 -5.596 5 HD1 PHE 116 HD1 PHE 116 2.535 -2.258 -3.346 6 HD2 PHE 116 HD2 PHE 116 3.155 1.188 -5.766 7 HE1 PHE 116 HE1 PHE 116 1.071 -0.942 -1.855 8 HE2 PHE 116 HE2 PHE 116 1.698 2.503 -4.288 9 HZ PHE 116 HZ PHE 116 0.563 1.380 -2.376 No H/Q in entry = 9 In of MODEL 15 1 H GLY 117 H GLY 117 6.675 -3.050 -6.536 2 HA2 GLY 117 HA2 GLY 117 7.378 -5.245 -6.394 3 HA3 GLY 117 HA3 GLY 117 5.730 -5.530 -5.874 No H/Q in entry = 3 In of MODEL 15 1 HA PRO 118 HA PRO 118 9.152 -6.523 -2.593 2 HB2 PRO 118 HB2 PRO 118 10.471 -4.346 -1.539 3 HB3 PRO 118 HB3 PRO 118 11.096 -5.355 -2.849 4 HG2 PRO 118 HG2 PRO 118 9.662 -2.729 -2.995 5 HG3 PRO 118 HG3 PRO 118 11.083 -3.280 -3.907 6 HD2 PRO 118 HD2 PRO 118 8.653 -3.278 -5.021 7 HD3 PRO 118 HD3 PRO 118 9.803 -4.597 -5.341 No H/Q in entry = 7 In of MODEL 15 1 H ALA 119 H ALA 119 7.326 -3.565 -2.371 2 HA ALA 119 HA ALA 119 6.991 -3.710 0.502 3 HB1 ALA 119 HB1 ALA 119 5.574 -1.739 0.190 4 HB2 ALA 119 HB2 ALA 119 5.720 -1.913 -1.558 5 HB3 ALA 119 HB3 ALA 119 7.144 -1.544 -0.587 No H/Q in entry = 5 In of MODEL 15 1 H CYS 120 H CYS 120 5.119 -4.392 -2.395 2 HA CYS 120 HA CYS 120 2.700 -5.157 -1.260 3 HB2 CYS 120 HB2 CYS 120 4.186 -6.302 -3.628 4 HB3 CYS 120 HB3 CYS 120 2.540 -6.757 -3.202 No H/Q in entry = 4 In of MODEL 15 1 H LYS 121 H LYS 121 5.793 -6.822 -1.363 2 HA LYS 121 HA LYS 121 4.972 -9.366 -0.603 3 HB2 LYS 121 HB2 LYS 121 7.479 -7.881 -0.562 4 HB3 LYS 121 HB3 LYS 121 7.374 -9.085 0.716 5 HG2 LYS 121 HG2 LYS 121 8.409 -9.926 -1.375 6 HG3 LYS 121 HG3 LYS 121 6.983 -10.834 -0.872 7 HD2 LYS 121 HD2 LYS 121 5.650 -9.414 -2.469 8 HD3 LYS 121 HD3 LYS 121 7.181 -8.779 -3.068 9 HE2 LYS 121 HE2 LYS 121 6.409 -11.696 -3.039 10 HE3 LYS 121 HE3 LYS 121 6.273 -10.633 -4.441 11 HZ1 LYS 121 HZ1 LYS 121 8.715 -10.247 -4.215 12 HZ2 LYS 121 HZ2 LYS 121 8.755 -11.485 -3.063 13 HZ3 LYS 121 HZ3 LYS 121 8.287 -11.824 -4.655 No H/Q in entry = 13 In of MODEL 15 1 H LYS 122 H LYS 122 6.012 -6.759 1.674 2 HA LYS 122 HA LYS 122 5.182 -8.201 3.966 3 HB2 LYS 122 HB2 LYS 122 5.245 -6.059 5.173 4 HB3 LYS 122 HB3 LYS 122 6.692 -6.314 4.211 5 HG2 LYS 122 HG2 LYS 122 5.998 -4.731 2.593 6 HG3 LYS 122 HG3 LYS 122 4.381 -4.632 3.290 7 HD2 LYS 122 HD2 LYS 122 5.717 -2.689 3.904 8 HD3 LYS 122 HD3 LYS 122 5.318 -3.651 5.327 9 HE2 LYS 122 HE2 LYS 122 7.617 -2.942 5.452 10 HE3 LYS 122 HE3 LYS 122 7.556 -4.684 5.209 11 HZ1 LYS 122 HZ1 LYS 122 8.060 -2.669 3.088 12 HZ2 LYS 122 HZ2 LYS 122 9.234 -3.626 3.828 13 HZ3 LYS 122 HZ3 LYS 122 8.042 -4.346 2.874 No H/Q in entry = 13 In of MODEL 15 1 H ILE 123 H ILE 123 3.466 -6.240 1.661 2 HA ILE 123 HA ILE 123 1.162 -5.745 3.209 3 HB ILE 123 HB ILE 123 1.561 -5.792 0.242 4 HG12 ILE 123 HG12 ILE 123 1.197 -3.576 2.270 5 HG13 ILE 123 HG13 ILE 123 2.719 -4.039 1.517 6 HG21 ILE 123 HG21 ILE 123 -0.892 -5.040 1.828 7 HG22 ILE 123 HG22 ILE 123 -0.641 -4.647 0.123 8 HG23 ILE 123 HG23 ILE 123 -0.749 -6.333 0.634 9 HD11 ILE 123 HD11 ILE 123 0.328 -3.024 0.030 10 HD12 ILE 123 HD12 ILE 123 1.690 -2.029 0.544 11 HD13 ILE 123 HD13 ILE 123 1.933 -3.330 -0.623 No H/Q in entry = 11 In of MODEL 15 1 H TYR 124 H TYR 124 1.765 -8.072 0.695 2 HA TYR 124 HA TYR 124 -0.452 -9.795 1.197 3 HB2 TYR 124 HB2 TYR 124 2.050 -10.041 -0.463 4 HB3 TYR 124 HB3 TYR 124 0.920 -11.376 -0.285 5 HD1 TYR 124 HD1 TYR 124 1.344 -7.968 -1.624 6 HD2 TYR 124 HD2 TYR 124 -1.179 -11.387 -1.431 7 HE1 TYR 124 HE1 TYR 124 -0.014 -7.060 -3.461 8 HE2 TYR 124 HE2 TYR 124 -2.546 -10.489 -3.267 9 HH TYR 124 HH TYR 124 -1.547 -7.831 -5.172 No H/Q in entry = 9 In of MODEL 15 1 H GLY 125 H GLY 125 0.987 -9.296 3.553 2 HA2 GLY 125 HA2 GLY 125 2.168 -10.324 5.294 3 HA3 GLY 125 HA3 GLY 125 3.367 -9.686 4.209 No H/Q in entry = 3 In of MODEL 15 1 H VAL 126 H VAL 126 2.870 -11.936 2.290 2 HA VAL 126 HA VAL 126 4.035 -14.264 3.376 3 HB VAL 126 HB VAL 126 4.966 -14.620 1.067 4 HG11 VAL 126 HG11 VAL 126 2.059 -13.853 1.257 5 HG12 VAL 126 HG12 VAL 126 2.774 -14.790 -0.054 6 HG13 VAL 126 HG13 VAL 126 2.757 -15.437 1.589 7 HG21 VAL 126 HG21 VAL 126 5.377 -12.277 0.490 8 HG22 VAL 126 HG22 VAL 126 4.344 -13.059 -0.707 9 HG23 VAL 126 HG23 VAL 126 3.641 -11.967 0.487 No H/Q in entry = 9 In of MODEL 15 1 H HIS 127 H HIS 127 5.257 -12.305 4.786 2 HA HIS 127 HA HIS 127 7.760 -11.459 3.620 3 HB2 HIS 127 HB2 HIS 127 6.334 -10.050 5.138 4 HB3 HIS 127 HB3 HIS 127 6.732 -11.145 6.449 5 HD1 HIS 127 HD1 HIS 127 8.591 -10.372 7.876 6 HD2 HIS 127 HD2 HIS 127 8.843 -8.834 4.015 7 HE1 HIS 127 HE1 HIS 127 10.542 -8.781 7.897 8 HE2 HIS 127 HE2 HIS 127 10.815 -8.070 5.501 No H/Q in entry = 8 In of MODEL 15 1 H THR 128 H THR 128 9.805 -12.197 4.178 2 HA THR 128 HA THR 128 9.926 -14.891 5.201 3 HB THR 128 HB THR 128 12.384 -13.282 4.630 4 HG1 THR 128 HG1 THR 128 11.914 -13.074 2.566 5 HG21 THR 128 HG21 THR 128 11.550 -16.121 4.008 6 HG22 THR 128 HG22 THR 128 13.128 -15.413 3.652 7 HG23 THR 128 HG23 THR 128 12.608 -15.614 5.326 No H/Q in entry = 7 In of MODEL 15 1 H SER 129 H SER 129 9.021 -13.203 7.187 2 HA SER 129 HA SER 129 10.650 -13.727 9.373 3 HB2 SER 129 HB2 SER 129 12.107 -11.957 8.295 4 HB3 SER 129 HB3 SER 129 10.796 -10.809 8.555 5 HG SER 129 HG SER 129 11.745 -12.320 10.726 No H/Q in entry = 5 In of MODEL 16 1 HA2 GLY -4 HA2 GLY -4 -3.762 18.960 -16.053 2 HA3 GLY -4 HA3 GLY -4 -4.313 18.019 -17.432 3 H1 GLY -4 H1 GLY -4 -6.029 19.139 -15.291 4 H2 GLY -4 H2 GLY -4 -6.572 18.190 -16.579 No H/Q in entry = 4 In of MODEL 16 1 H SER -3 H SER -3 -2.435 17.273 -15.303 2 HA SER -3 HA SER -3 -3.877 15.275 -13.771 3 HB2 SER -3 HB2 SER -3 -1.779 14.475 -15.804 4 HB3 SER -3 HB3 SER -3 -2.593 13.394 -14.674 5 HG SER -3 HG SER -3 -4.498 14.674 -15.935 No H/Q in entry = 5 In of MODEL 16 1 HA PRO -2 HA PRO -2 -0.346 17.193 -11.492 2 HB2 PRO -2 HB2 PRO -2 -2.087 16.391 -9.234 3 HB3 PRO -2 HB3 PRO -2 -1.306 17.942 -9.559 4 HG2 PRO -2 HG2 PRO -2 -3.934 17.645 -9.891 5 HG3 PRO -2 HG3 PRO -2 -2.977 18.626 -11.018 6 HD2 PRO -2 HD2 PRO -2 -4.020 15.837 -11.349 7 HD3 PRO -2 HD3 PRO -2 -3.970 17.168 -12.528 No H/Q in entry = 7 In of MODEL 16 1 H GLU -1 H GLU -1 1.156 15.624 -11.858 2 HA GLU -1 HA GLU -1 2.480 13.817 -11.500 3 HB2 GLU -1 HB2 GLU -1 1.272 13.896 -8.731 4 HB3 GLU -1 HB3 GLU -1 2.748 13.060 -9.186 5 HG2 GLU -1 HG2 GLU -1 3.548 14.968 -8.193 6 HG3 GLU -1 HG3 GLU -1 3.565 15.411 -9.897 No H/Q in entry = 6 In of MODEL 16 1 H PHE 0 H PHE 0 0.411 13.009 -12.908 2 HA PHE 0 HA PHE 0 -0.927 10.815 -11.525 3 HB2 PHE 0 HB2 PHE 0 -2.266 12.342 -12.934 4 HB3 PHE 0 HB3 PHE 0 -1.325 11.854 -14.337 5 HD1 PHE 0 HD1 PHE 0 -3.756 10.700 -11.815 6 HD2 PHE 0 HD2 PHE 0 -1.802 9.847 -15.498 7 HE1 PHE 0 HE1 PHE 0 -5.330 8.852 -12.219 8 HE2 PHE 0 HE2 PHE 0 -3.373 7.999 -15.908 9 HZ PHE 0 HZ PHE 0 -5.140 7.500 -14.266 No H/Q in entry = 9 In of MODEL 16 1 H HIS 1 H HIS 1 -0.023 8.888 -11.512 2 HA HIS 1 HA HIS 1 1.271 7.925 -13.971 3 HB2 HIS 1 HB2 HIS 1 3.000 8.476 -12.300 4 HB3 HIS 1 HB3 HIS 1 2.216 7.418 -11.136 5 HD1 HIS 1 HD1 HIS 1 3.494 5.340 -10.893 6 HD2 HIS 1 HD2 HIS 1 3.555 6.709 -14.813 7 HE1 HIS 1 HE1 HIS 1 4.819 3.642 -12.176 8 HE2 HIS 1 HE2 HIS 1 4.660 4.383 -14.576 No H/Q in entry = 8 In of MODEL 16 1 H HIS 2 H HIS 2 -1.374 7.704 -12.410 2 HA HIS 2 HA HIS 2 -3.050 6.196 -12.189 3 HB2 HIS 2 HB2 HIS 2 -1.986 5.262 -14.337 4 HB3 HIS 2 HB3 HIS 2 -1.247 4.049 -13.300 5 HD1 HIS 2 HD1 HIS 2 -4.537 5.105 -14.742 6 HD2 HIS 2 HD2 HIS 2 -2.979 2.067 -12.368 7 HE1 HIS 2 HE1 HIS 2 -6.336 3.357 -14.614 8 HE2 HIS 2 HE2 HIS 2 -5.341 1.492 -13.252 No H/Q in entry = 8 In of MODEL 16 1 H PHE 3 H PHE 3 -3.773 4.811 -10.573 2 HA PHE 3 HA PHE 3 -3.794 4.091 -8.426 3 HB2 PHE 3 HB2 PHE 3 -1.043 3.020 -9.114 4 HB3 PHE 3 HB3 PHE 3 -1.921 2.636 -7.635 5 HD1 PHE 3 HD1 PHE 3 -4.520 1.941 -8.280 6 HD2 PHE 3 HD2 PHE 3 -1.035 1.327 -10.642 7 HE1 PHE 3 HE1 PHE 3 -5.632 0.070 -9.424 8 HE2 PHE 3 HE2 PHE 3 -2.141 -0.546 -11.793 9 HZ PHE 3 HZ PHE 3 -4.441 -1.175 -11.185 No H/Q in entry = 9 In of MODEL 16 1 H THR 4 H THR 4 -3.464 6.641 -8.490 2 HA THR 4 HA THR 4 -1.045 7.524 -7.189 3 HB THR 4 HB THR 4 -2.277 9.743 -7.136 4 HG1 THR 4 HG1 THR 4 -4.199 9.873 -8.304 5 HG21 THR 4 HG21 THR 4 -0.683 9.188 -8.911 6 HG22 THR 4 HG22 THR 4 -1.966 8.390 -9.820 7 HG23 THR 4 HG23 THR 4 -2.033 10.130 -9.547 No H/Q in entry = 7 In of MODEL 16 1 H LEU 5 H LEU 5 -1.276 8.900 -5.186 2 HA LEU 5 HA LEU 5 -2.496 7.314 -3.169 3 HB2 LEU 5 HB2 LEU 5 -0.993 9.908 -3.133 4 HB3 LEU 5 HB3 LEU 5 -1.758 9.287 -1.685 5 HG LEU 5 HG LEU 5 -0.390 7.171 -2.026 6 HD11 LEU 5 HD11 LEU 5 0.213 7.518 -4.363 7 HD12 LEU 5 HD12 LEU 5 1.121 8.964 -3.922 8 HD13 LEU 5 HD13 LEU 5 1.648 7.382 -3.349 9 HD21 LEU 5 HD21 LEU 5 0.094 8.890 -0.345 10 HD22 LEU 5 HD22 LEU 5 1.557 8.128 -0.962 11 HD23 LEU 5 HD23 LEU 5 1.099 9.736 -1.517 No H/Q in entry = 11 In of MODEL 16 1 H GLU 6 H GLU 6 -3.337 10.376 -4.730 2 HA GLU 6 HA GLU 6 -5.647 10.956 -3.215 3 HB2 GLU 6 HB2 GLU 6 -5.464 11.240 -6.211 4 HB3 GLU 6 HB3 GLU 6 -6.398 12.220 -5.088 5 HG2 GLU 6 HG2 GLU 6 -4.697 13.641 -5.435 6 HG3 GLU 6 HG3 GLU 6 -3.981 12.719 -4.125 No H/Q in entry = 6 In of MODEL 16 1 H SER 7 H SER 7 -5.213 8.848 -6.117 2 HA SER 7 HA SER 7 -7.824 8.025 -6.353 3 HB2 SER 7 HB2 SER 7 -5.978 7.532 -7.955 4 HB3 SER 7 HB3 SER 7 -5.389 6.297 -6.845 5 HG SER 7 HG SER 7 -7.869 6.365 -8.225 No H/Q in entry = 5 In of MODEL 16 1 H SER 8 H SER 8 -5.648 7.216 -3.788 2 HA SER 8 HA SER 8 -7.244 4.874 -3.113 3 HB2 SER 8 HB2 SER 8 -5.459 4.390 -1.434 4 HB3 SER 8 HB3 SER 8 -4.947 4.365 -3.122 5 HG SER 8 HG SER 8 -4.685 6.847 -2.016 No H/Q in entry = 5 In of MODEL 16 1 H LEU 9 H LEU 9 -7.070 8.160 -2.114 2 HA LEU 9 HA LEU 9 -6.829 7.899 0.612 3 HB2 LEU 9 HB2 LEU 9 -8.177 10.042 -0.979 4 HB3 LEU 9 HB3 LEU 9 -7.767 10.173 0.724 5 HG LEU 9 HG LEU 9 -5.740 9.618 -1.422 6 HD11 LEU 9 HD11 LEU 9 -6.530 12.229 -0.172 7 HD12 LEU 9 HD12 LEU 9 -5.152 11.967 -1.243 8 HD13 LEU 9 HD13 LEU 9 -6.789 11.724 -1.845 9 HD21 LEU 9 HD21 LEU 9 -5.480 10.493 1.453 10 HD22 LEU 9 HD22 LEU 9 -5.060 8.908 0.796 11 HD23 LEU 9 HD23 LEU 9 -4.146 10.340 0.310 No H/Q in entry = 11 In of MODEL 16 1 H ASP 10 H ASP 10 -9.782 7.695 -1.190 2 HA ASP 10 HA ASP 10 -11.269 7.349 1.308 3 HB2 ASP 10 HB2 ASP 10 -12.179 7.733 -1.542 4 HB3 ASP 10 HB3 ASP 10 -13.282 7.344 -0.226 No H/Q in entry = 4 In of MODEL 16 1 H THR 11 H THR 11 -9.523 5.454 -0.638 2 HA THR 11 HA THR 11 -11.294 3.163 -0.193 3 HB THR 11 HB THR 11 -10.187 2.097 -2.202 4 HG1 THR 11 HG1 THR 11 -9.612 4.696 -3.110 5 HG21 THR 11 HG21 THR 11 -11.878 4.561 -2.640 6 HG22 THR 11 HG22 THR 11 -11.623 3.278 -3.824 7 HG23 THR 11 HG23 THR 11 -12.466 2.931 -2.313 No H/Q in entry = 7 In of MODEL 16 1 H HIS 12 H HIS 12 -8.164 2.779 -1.590 2 HA HIS 12 HA HIS 12 -7.399 0.839 0.235 3 HB2 HIS 12 HB2 HIS 12 -5.462 2.472 -1.401 4 HB3 HIS 12 HB3 HIS 12 -5.220 0.842 -0.794 5 HD1 HIS 12 HD1 HIS 12 -5.322 2.055 -3.872 6 HD2 HIS 12 HD2 HIS 12 -8.008 -0.472 -1.957 7 HE1 HIS 12 HE1 HIS 12 -6.523 0.829 -5.704 8 HE2 HIS 12 HE2 HIS 12 -8.081 -0.766 -4.531 No H/Q in entry = 8 In of MODEL 16 1 H LEU 13 H LEU 13 -6.750 4.305 0.289 2 HA LEU 13 HA LEU 13 -4.984 3.855 2.606 3 HB2 LEU 13 HB2 LEU 13 -4.876 5.773 0.360 4 HB3 LEU 13 HB3 LEU 13 -4.328 6.329 1.926 5 HG LEU 13 HG LEU 13 -2.415 5.556 0.718 6 HD11 LEU 13 HD11 LEU 13 -2.597 4.967 3.140 7 HD12 LEU 13 HD12 LEU 13 -3.114 3.357 2.646 8 HD13 LEU 13 HD13 LEU 13 -1.513 3.939 2.205 9 HD21 LEU 13 HD21 LEU 13 -3.907 2.970 0.312 10 HD22 LEU 13 HD22 LEU 13 -3.483 4.149 -0.931 11 HD23 LEU 13 HD23 LEU 13 -2.215 3.248 -0.101 No H/Q in entry = 11 In of MODEL 16 1 H LYS 14 H LYS 14 -7.905 4.133 2.588 2 HA LYS 14 HA LYS 14 -8.551 6.747 3.538 3 HB2 LYS 14 HB2 LYS 14 -10.777 5.947 3.852 4 HB3 LYS 14 HB3 LYS 14 -10.169 5.304 2.343 5 HG2 LYS 14 HG2 LYS 14 -9.767 3.149 3.424 6 HG3 LYS 14 HG3 LYS 14 -10.386 3.803 4.946 7 HD2 LYS 14 HD2 LYS 14 -12.549 4.228 3.885 8 HD3 LYS 14 HD3 LYS 14 -11.933 3.587 2.362 9 HE2 LYS 14 HE2 LYS 14 -13.220 1.875 3.399 10 HE3 LYS 14 HE3 LYS 14 -11.523 1.420 3.534 11 HZ1 LYS 14 HZ1 LYS 14 -11.543 2.269 5.819 12 HZ2 LYS 14 HZ2 LYS 14 -13.189 2.625 5.674 13 HZ3 LYS 14 HZ3 LYS 14 -12.666 1.025 5.603 No H/Q in entry = 13 In of MODEL 16 1 H TRP 15 H TRP 15 -7.184 4.063 5.012 2 HA TRP 15 HA TRP 15 -8.172 4.519 7.670 3 HB2 TRP 15 HB2 TRP 15 -6.365 2.936 8.333 4 HB3 TRP 15 HB3 TRP 15 -7.422 2.294 7.078 5 HD1 TRP 15 HD1 TRP 15 -6.402 2.140 4.588 6 HE1 TRP 15 HE1 TRP 15 -3.975 1.926 3.766 7 HE3 TRP 15 HE3 TRP 15 -3.980 3.607 8.841 8 HZ2 TRP 15 HZ2 TRP 15 -1.372 2.320 4.791 9 HZ3 TRP 15 HZ3 TRP 15 -1.518 3.659 8.839 10 HH2 TRP 15 HH2 TRP 15 -0.245 3.029 6.854 No H/Q in entry = 10 In of MODEL 16 1 H LEU 16 H LEU 16 -6.008 6.121 5.670 2 HA LEU 16 HA LEU 16 -4.209 7.093 7.692 3 HB2 LEU 16 HB2 LEU 16 -4.881 8.210 4.963 4 HB3 LEU 16 HB3 LEU 16 -3.583 8.779 5.989 5 HG LEU 16 HG LEU 16 -3.726 6.006 4.800 6 HD11 LEU 16 HD11 LEU 16 -2.134 8.421 3.955 7 HD12 LEU 16 HD12 LEU 16 -1.984 6.799 3.278 8 HD13 LEU 16 HD13 LEU 16 -3.483 7.704 3.073 9 HD21 LEU 16 HD21 LEU 16 -1.514 7.466 6.245 10 HD22 LEU 16 HD22 LEU 16 -2.411 6.069 6.841 11 HD23 LEU 16 HD23 LEU 16 -1.350 5.903 5.439 No H/Q in entry = 11 In of MODEL 16 1 H SER 17 H SER 17 -4.245 9.100 8.630 2 HA SER 17 HA SER 17 -6.879 10.253 8.985 3 HB2 SER 17 HB2 SER 17 -4.240 11.092 10.198 4 HB3 SER 17 HB3 SER 17 -5.845 11.587 10.735 5 HG SER 17 HG SER 17 -5.902 8.977 10.701 No H/Q in entry = 5 In of MODEL 16 1 H GLN 18 H GLN 18 -7.179 12.666 8.796 2 HA GLN 18 HA GLN 18 -6.669 13.440 6.168 3 HB2 GLN 18 HB2 GLN 18 -8.498 14.396 7.495 4 HB3 GLN 18 HB3 GLN 18 -7.336 15.203 8.536 5 HG2 GLN 18 HG2 GLN 18 -8.298 16.762 6.963 6 HG3 GLN 18 HG3 GLN 18 -6.576 16.553 6.652 7 HE21 GLN 18 HE21 GLN 18 -5.915 15.516 4.781 8 HE22 GLN 18 HE22 GLN 18 -6.986 15.233 3.451 No H/Q in entry = 8 In of MODEL 16 1 H GLU 19 H GLU 19 -5.024 14.416 9.149 2 HA GLU 19 HA GLU 19 -3.199 16.185 8.068 3 HB2 GLU 19 HB2 GLU 19 -1.874 15.619 10.086 4 HB3 GLU 19 HB3 GLU 19 -3.546 15.963 10.447 5 HG2 GLU 19 HG2 GLU 19 -3.972 13.527 10.518 6 HG3 GLU 19 HG3 GLU 19 -2.246 13.256 10.292 No H/Q in entry = 6 In of MODEL 16 1 H GLN 20 H GLN 20 -3.100 12.651 8.226 2 HA GLN 20 HA GLN 20 -0.420 12.470 7.242 3 HB2 GLN 20 HB2 GLN 20 -2.611 10.378 7.291 4 HB3 GLN 20 HB3 GLN 20 -0.910 10.066 6.968 5 HG2 GLN 20 HG2 GLN 20 -0.324 10.762 9.205 6 HG3 GLN 20 HG3 GLN 20 -2.003 11.186 9.539 7 HE21 GLN 20 HE21 GLN 20 -0.272 9.299 10.906 8 HE22 GLN 20 HE22 GLN 20 -1.054 7.761 10.815 No H/Q in entry = 8 In of MODEL 16 1 H LYS 21 H LYS 21 -3.658 12.195 5.801 2 HA LYS 21 HA LYS 21 -2.863 11.596 3.180 3 HB2 LYS 21 HB2 LYS 21 -5.218 13.260 4.098 4 HB3 LYS 21 HB3 LYS 21 -5.022 12.588 2.488 5 HG2 LYS 21 HG2 LYS 21 -5.092 10.328 3.432 6 HG3 LYS 21 HG3 LYS 21 -5.321 11.020 5.040 7 HD2 LYS 21 HD2 LYS 21 -7.398 12.064 4.310 8 HD3 LYS 21 HD3 LYS 21 -7.162 11.421 2.685 9 HE2 LYS 21 HE2 LYS 21 -7.338 9.156 3.523 10 HE3 LYS 21 HE3 LYS 21 -7.474 9.754 5.178 11 HZ1 LYS 21 HZ1 LYS 21 -9.528 10.893 4.517 12 HZ2 LYS 21 HZ2 LYS 21 -9.412 10.203 2.976 13 HZ3 LYS 21 HZ3 LYS 21 -9.638 9.216 4.326 No H/Q in entry = 13 In of MODEL 16 1 H ASP 22 H ASP 22 -3.478 14.701 4.736 2 HA ASP 22 HA ASP 22 -2.758 16.353 2.568 3 HB2 ASP 22 HB2 ASP 22 -4.068 17.115 4.530 4 HB3 ASP 22 HB3 ASP 22 -2.637 16.941 5.534 No H/Q in entry = 4 In of MODEL 16 1 H GLU 23 H GLU 23 -0.829 14.938 5.219 2 HA GLU 23 HA GLU 23 1.606 16.160 4.574 3 HB2 GLU 23 HB2 GLU 23 0.754 14.229 6.375 4 HB3 GLU 23 HB3 GLU 23 1.886 13.369 5.331 5 HG2 GLU 23 HG2 GLU 23 3.489 15.211 5.679 6 HG3 GLU 23 HG3 GLU 23 2.375 15.882 6.864 No H/Q in entry = 6 In of MODEL 16 1 H LEU 24 H LEU 24 0.319 13.027 3.436 2 HA LEU 24 HA LEU 24 2.474 12.502 1.718 3 HB2 LEU 24 HB2 LEU 24 -0.277 11.428 2.122 4 HB3 LEU 24 HB3 LEU 24 0.627 10.935 0.703 5 HG LEU 24 HG LEU 24 2.347 9.976 2.050 6 HD11 LEU 24 HD11 LEU 24 2.178 11.718 3.870 7 HD12 LEU 24 HD12 LEU 24 0.920 10.688 4.562 8 HD13 LEU 24 HD13 LEU 24 2.560 10.064 4.341 9 HD21 LEU 24 HD21 LEU 24 -0.369 9.208 3.059 10 HD22 LEU 24 HD22 LEU 24 0.445 8.562 1.635 11 HD23 LEU 24 HD23 LEU 24 1.090 8.237 3.243 No H/Q in entry = 11 In of MODEL 16 1 H LEU 25 H LEU 25 -0.683 14.043 1.166 2 HA LEU 25 HA LEU 25 -0.425 14.320 -1.622 3 HB2 LEU 25 HB2 LEU 25 -1.900 15.988 0.408 4 HB3 LEU 25 HB3 LEU 25 -2.020 16.248 -1.317 5 HG LEU 25 HG LEU 25 -2.855 13.749 0.154 6 HD11 LEU 25 HD11 LEU 25 -4.355 15.634 0.535 7 HD12 LEU 25 HD12 LEU 25 -4.489 15.889 -1.205 8 HD13 LEU 25 HD13 LEU 25 -5.117 14.409 -0.479 9 HD21 LEU 25 HD21 LEU 25 -2.976 14.461 -2.773 10 HD22 LEU 25 HD22 LEU 25 -2.034 13.168 -2.032 11 HD23 LEU 25 HD23 LEU 25 -3.793 13.085 -2.040 No H/Q in entry = 11 In of MODEL 16 1 H LYS 26 H LYS 26 0.681 16.269 1.070 2 HA LYS 26 HA LYS 26 1.694 18.474 -0.395 3 HB2 LYS 26 HB2 LYS 26 1.384 17.958 2.233 4 HB3 LYS 26 HB3 LYS 26 3.093 17.591 2.071 5 HG2 LYS 26 HG2 LYS 26 3.069 19.822 2.696 6 HG3 LYS 26 HG3 LYS 26 3.282 19.887 0.945 7 HD2 LYS 26 HD2 LYS 26 1.638 21.520 1.572 8 HD3 LYS 26 HD3 LYS 26 0.822 20.209 0.721 9 HE2 LYS 26 HE2 LYS 26 0.199 19.236 2.916 10 HE3 LYS 26 HE3 LYS 26 0.932 20.628 3.707 11 HZ1 LYS 26 HZ1 LYS 26 -1.318 20.772 1.776 12 HZ2 LYS 26 HZ2 LYS 26 -1.487 20.815 3.460 13 HZ3 LYS 26 HZ3 LYS 26 -0.663 22.059 2.659 No H/Q in entry = 13 In of MODEL 16 1 H MET 27 H MET 27 3.187 15.547 0.893 2 HA MET 27 HA MET 27 5.721 15.866 -0.089 3 HB2 MET 27 HB2 MET 27 4.110 13.347 0.318 4 HB3 MET 27 HB3 MET 27 5.827 13.336 -0.052 5 HG2 MET 27 HG2 MET 27 5.084 15.044 2.204 6 HG3 MET 27 HG3 MET 27 4.764 13.331 2.446 7 HE1 MET 27 HE1 MET 27 6.569 11.455 2.298 8 HE2 MET 27 HE2 MET 27 7.094 11.979 0.699 9 HE3 MET 27 HE3 MET 27 8.280 11.732 1.981 No H/Q in entry = 9 In of MODEL 16 1 H LYS 28 H LYS 28 3.052 14.077 -1.652 2 HA LYS 28 HA LYS 28 4.409 13.342 -3.978 3 HB2 LYS 28 HB2 LYS 28 2.226 12.482 -3.002 4 HB3 LYS 28 HB3 LYS 28 1.457 13.889 -3.706 5 HG2 LYS 28 HG2 LYS 28 3.067 12.101 -5.459 6 HG3 LYS 28 HG3 LYS 28 1.465 11.583 -4.942 7 HD2 LYS 28 HD2 LYS 28 2.095 14.168 -6.364 8 HD3 LYS 28 HD3 LYS 28 1.423 12.722 -7.118 9 HE2 LYS 28 HE2 LYS 28 -0.530 12.890 -5.611 10 HE3 LYS 28 HE3 LYS 28 0.133 14.383 -4.956 11 HZ1 LYS 28 HZ1 LYS 28 0.089 15.250 -7.292 12 HZ2 LYS 28 HZ2 LYS 28 -0.825 13.888 -7.711 13 HZ3 LYS 28 HZ3 LYS 28 -1.428 14.994 -6.584 No H/Q in entry = 13 In of MODEL 16 1 H LYS 29 H LYS 29 2.423 16.195 -3.256 2 HA LYS 29 HA LYS 29 2.563 17.338 -5.815 3 HB2 LYS 29 HB2 LYS 29 0.919 18.006 -4.118 4 HB3 LYS 29 HB3 LYS 29 2.201 18.740 -3.166 5 HG2 LYS 29 HG2 LYS 29 2.572 20.418 -4.809 6 HG3 LYS 29 HG3 LYS 29 1.531 19.596 -5.970 7 HD2 LYS 29 HD2 LYS 29 0.346 21.475 -5.022 8 HD3 LYS 29 HD3 LYS 29 -0.392 19.975 -4.462 9 HE2 LYS 29 HE2 LYS 29 0.883 20.180 -2.354 10 HE3 LYS 29 HE3 LYS 29 1.521 21.723 -2.919 11 HZ1 LYS 29 HZ1 LYS 29 -0.761 22.559 -3.026 12 HZ2 LYS 29 HZ2 LYS 29 -1.337 21.088 -2.429 13 HZ3 LYS 29 HZ3 LYS 29 -0.355 22.067 -1.460 No H/Q in entry = 13 In of MODEL 16 1 H ASP 30 H ASP 30 4.681 17.795 -2.999 2 HA ASP 30 HA ASP 30 6.147 19.882 -4.322 3 HB2 ASP 30 HB2 ASP 30 6.373 18.522 -1.673 4 HB3 ASP 30 HB3 ASP 30 7.744 19.448 -2.277 No H/Q in entry = 4 In of MODEL 16 1 H GLY 31 H GLY 31 6.110 16.720 -4.915 2 HA2 GLY 31 HA2 GLY 31 8.637 17.025 -6.321 3 HA3 GLY 31 HA3 GLY 31 7.396 15.826 -6.653 No H/Q in entry = 3 In of MODEL 16 1 H LYS 32 H LYS 32 7.373 15.242 -3.656 2 HA LYS 32 HA LYS 32 9.812 13.883 -3.183 3 HB2 LYS 32 HB2 LYS 32 7.047 13.334 -2.086 4 HB3 LYS 32 HB3 LYS 32 8.535 12.621 -1.481 5 HG2 LYS 32 HG2 LYS 32 7.862 15.555 -1.459 6 HG3 LYS 32 HG3 LYS 32 7.773 14.461 -0.077 7 HD2 LYS 32 HD2 LYS 32 10.185 14.058 -0.248 8 HD3 LYS 32 HD3 LYS 32 10.267 15.160 -1.625 9 HE2 LYS 32 HE2 LYS 32 10.971 16.284 0.409 10 HE3 LYS 32 HE3 LYS 32 9.476 16.991 -0.204 11 HZ1 LYS 32 HZ1 LYS 32 9.623 14.984 1.979 12 HZ2 LYS 32 HZ2 LYS 32 9.477 16.650 2.214 13 HZ3 LYS 32 HZ3 LYS 32 8.236 15.796 1.447 No H/Q in entry = 13 In of MODEL 16 1 H ALA 33 H ALA 33 10.339 11.796 -3.601 2 HA ALA 33 HA ALA 33 9.304 10.709 -6.031 3 HB1 ALA 33 HB1 ALA 33 11.682 10.521 -5.351 4 HB2 ALA 33 HB2 ALA 33 10.952 8.968 -5.756 5 HB3 ALA 33 HB3 ALA 33 11.190 9.413 -4.067 No H/Q in entry = 5 In of MODEL 16 1 H LYS 34 H LYS 34 8.295 8.588 -6.298 2 HA LYS 34 HA LYS 34 6.138 8.153 -4.601 3 HB2 LYS 34 HB2 LYS 34 7.509 6.086 -6.336 4 HB3 LYS 34 HB3 LYS 34 5.895 5.939 -5.663 5 HG2 LYS 34 HG2 LYS 34 6.773 7.998 -7.677 6 HG3 LYS 34 HG3 LYS 34 5.863 6.533 -8.032 7 HD2 LYS 34 HD2 LYS 34 4.089 7.920 -7.856 8 HD3 LYS 34 HD3 LYS 34 4.290 7.613 -6.131 9 HE2 LYS 34 HE2 LYS 34 4.040 9.994 -6.539 10 HE3 LYS 34 HE3 LYS 34 5.665 9.645 -5.947 11 HZ1 LYS 34 HZ1 LYS 34 4.937 10.051 -8.798 12 HZ2 LYS 34 HZ2 LYS 34 5.671 11.210 -7.808 13 HZ3 LYS 34 HZ3 LYS 34 6.494 9.787 -8.199 No H/Q in entry = 13 In of MODEL 16 1 H LYS 35 H LYS 35 9.374 6.752 -4.515 2 HA LYS 35 HA LYS 35 8.876 4.842 -2.519 3 HB2 LYS 35 HB2 LYS 35 11.296 6.120 -3.641 4 HB3 LYS 35 HB3 LYS 35 11.463 5.355 -2.066 5 HG2 LYS 35 HG2 LYS 35 12.061 3.744 -3.685 6 HG3 LYS 35 HG3 LYS 35 10.472 3.286 -3.071 7 HD2 LYS 35 HD2 LYS 35 9.547 4.590 -5.081 8 HD3 LYS 35 HD3 LYS 35 11.193 4.502 -5.715 9 HE2 LYS 35 HE2 LYS 35 10.063 2.652 -6.629 10 HE3 LYS 35 HE3 LYS 35 11.058 2.005 -5.324 11 HZ1 LYS 35 HZ1 LYS 35 9.054 2.100 -3.885 12 HZ2 LYS 35 HZ2 LYS 35 8.142 2.554 -5.246 13 HZ3 LYS 35 HZ3 LYS 35 8.896 1.040 -5.190 No H/Q in entry = 13 In of MODEL 16 1 H GLU 36 H GLU 36 8.988 8.267 -2.216 2 HA GLU 36 HA GLU 36 9.797 8.181 0.574 3 HB2 GLU 36 HB2 GLU 36 8.884 10.544 -1.073 4 HB3 GLU 36 HB3 GLU 36 9.678 10.599 0.497 5 HG2 GLU 36 HG2 GLU 36 11.638 9.467 -0.565 6 HG3 GLU 36 HG3 GLU 36 10.844 9.694 -2.109 No H/Q in entry = 6 In of MODEL 16 1 H LEU 37 H LEU 37 7.004 8.570 -1.446 2 HA LEU 37 HA LEU 37 5.120 8.928 0.642 3 HB2 LEU 37 HB2 LEU 37 4.925 7.910 -2.187 4 HB3 LEU 37 HB3 LEU 37 3.528 8.111 -1.152 5 HG LEU 37 HG LEU 37 3.782 9.957 -2.692 6 HD11 LEU 37 HD11 LEU 37 2.760 10.341 -0.502 7 HD12 LEU 37 HD12 LEU 37 4.341 10.791 0.134 8 HD13 LEU 37 HD13 LEU 37 3.576 11.780 -1.110 9 HD21 LEU 37 HD21 LEU 37 6.170 9.995 -3.001 10 HD22 LEU 37 HD22 LEU 37 5.578 11.580 -2.503 11 HD23 LEU 37 HD23 LEU 37 6.384 10.534 -1.335 No H/Q in entry = 11 In of MODEL 16 1 H GLU 38 H GLU 38 6.355 6.182 -1.145 2 HA GLU 38 HA GLU 38 4.954 4.057 -0.050 3 HB2 GLU 38 HB2 GLU 38 6.469 3.803 -1.919 4 HB3 GLU 38 HB3 GLU 38 7.833 4.308 -0.937 5 HG2 GLU 38 HG2 GLU 38 7.284 2.231 0.484 6 HG3 GLU 38 HG3 GLU 38 6.359 1.713 -0.926 No H/Q in entry = 6 In of MODEL 16 1 H ALA 39 H ALA 39 7.293 6.119 1.362 2 HA ALA 39 HA ALA 39 8.088 4.222 3.408 3 HB1 ALA 39 HB1 ALA 39 8.985 7.060 2.959 4 HB2 ALA 39 HB2 ALA 39 9.713 5.882 4.052 5 HB3 ALA 39 HB3 ALA 39 9.766 5.619 2.309 No H/Q in entry = 5 In of MODEL 16 1 H LYS 40 H LYS 40 6.363 7.321 3.236 2 HA LYS 40 HA LYS 40 5.862 7.629 5.955 3 HB2 LYS 40 HB2 LYS 40 4.306 8.387 3.491 4 HB3 LYS 40 HB3 LYS 40 3.786 8.822 5.107 5 HG2 LYS 40 HG2 LYS 40 6.462 9.572 3.988 6 HG3 LYS 40 HG3 LYS 40 5.033 10.598 3.862 7 HD2 LYS 40 HD2 LYS 40 4.849 10.620 6.307 8 HD3 LYS 40 HD3 LYS 40 6.295 9.618 6.422 9 HE2 LYS 40 HE2 LYS 40 7.634 11.356 5.432 10 HE3 LYS 40 HE3 LYS 40 6.200 12.339 5.132 11 HZ1 LYS 40 HZ1 LYS 40 7.127 11.529 7.831 12 HZ2 LYS 40 HZ2 LYS 40 7.477 13.019 7.116 13 HZ3 LYS 40 HZ3 LYS 40 5.874 12.609 7.465 No H/Q in entry = 13 In of MODEL 16 1 H ILE 41 H ILE 41 3.897 6.068 3.431 2 HA ILE 41 HA ILE 41 1.800 5.257 5.068 3 HB ILE 41 HB ILE 41 2.827 4.053 2.501 4 HG12 ILE 41 HG12 ILE 41 0.577 5.999 3.040 5 HG13 ILE 41 HG13 ILE 41 2.173 6.449 2.450 6 HG21 ILE 41 HG21 ILE 41 0.172 3.671 3.873 7 HG22 ILE 41 HG22 ILE 41 0.589 3.083 2.263 8 HG23 ILE 41 HG23 ILE 41 1.427 2.450 3.681 9 HD11 ILE 41 HD11 ILE 41 1.796 5.142 0.438 10 HD12 ILE 41 HD12 ILE 41 0.195 4.694 1.031 11 HD13 ILE 41 HD13 ILE 41 0.557 6.379 0.660 No H/Q in entry = 11 In of MODEL 16 1 H LEU 42 H LEU 42 4.779 3.535 4.177 2 HA LEU 42 HA LEU 42 4.066 1.110 5.453 3 HB2 LEU 42 HB2 LEU 42 6.737 2.251 4.681 4 HB3 LEU 42 HB3 LEU 42 6.548 0.659 5.378 5 HG LEU 42 HG LEU 42 5.565 1.628 2.705 6 HD11 LEU 42 HD11 LEU 42 7.437 -0.581 3.526 7 HD12 LEU 42 HD12 LEU 42 6.947 -0.211 1.873 8 HD13 LEU 42 HD13 LEU 42 7.891 0.959 2.794 9 HD21 LEU 42 HD21 LEU 42 4.854 -0.879 4.211 10 HD22 LEU 42 HD22 LEU 42 3.765 0.309 3.489 11 HD23 LEU 42 HD23 LEU 42 4.728 -0.752 2.457 No H/Q in entry = 11 In of MODEL 16 1 H HIS 43 H HIS 43 5.782 3.982 6.535 2 HA HIS 43 HA HIS 43 6.452 3.040 9.120 3 HB2 HIS 43 HB2 HIS 43 7.378 5.112 8.023 4 HB3 HIS 43 HB3 HIS 43 5.829 5.894 8.320 5 HD1 HIS 43 HD1 HIS 43 5.637 7.108 10.486 6 HD2 HIS 43 HD2 HIS 43 8.671 4.267 10.533 7 HE1 HIS 43 HE1 HIS 43 6.796 7.392 12.697 8 HE2 HIS 43 HE2 HIS 43 8.581 5.620 12.735 No H/Q in entry = 8 In of MODEL 16 1 H TYR 44 H TYR 44 3.654 4.892 7.896 2 HA TYR 44 HA TYR 44 2.223 5.081 10.307 3 HB2 TYR 44 HB2 TYR 44 1.161 4.913 7.474 4 HB3 TYR 44 HB3 TYR 44 0.228 5.424 8.873 5 HD1 TYR 44 HD1 TYR 44 2.430 7.043 10.195 6 HD2 TYR 44 HD2 TYR 44 1.014 6.906 6.192 7 HE1 TYR 44 HE1 TYR 44 3.191 9.335 9.856 8 HE2 TYR 44 HE2 TYR 44 1.784 9.214 5.829 9 HH TYR 44 HH TYR 44 2.273 11.221 7.200 No H/Q in entry = 9 In of MODEL 16 1 H TYR 45 H TYR 45 2.496 2.585 7.919 2 HA TYR 45 HA TYR 45 0.329 0.965 8.650 3 HB2 TYR 45 HB2 TYR 45 1.426 0.762 6.503 4 HB3 TYR 45 HB3 TYR 45 2.955 0.372 7.276 5 HD1 TYR 45 HD1 TYR 45 -0.541 -0.910 7.144 6 HD2 TYR 45 HD2 TYR 45 3.607 -1.782 7.321 7 HE1 TYR 45 HE1 TYR 45 -1.049 -3.303 6.963 8 HE2 TYR 45 HE2 TYR 45 3.125 -4.176 7.147 9 HH TYR 45 HH TYR 45 -0.151 -5.358 6.589 No H/Q in entry = 9 In of MODEL 16 1 H ASP 46 H ASP 46 3.746 0.912 9.639 2 HA ASP 46 HA ASP 46 3.399 -1.516 11.114 3 HB2 ASP 46 HB2 ASP 46 5.576 -0.864 10.082 4 HB3 ASP 46 HB3 ASP 46 5.696 0.459 11.232 No H/Q in entry = 4 In of MODEL 16 1 H GLU 47 H GLU 47 2.784 1.775 11.910 2 HA GLU 47 HA GLU 47 3.182 1.298 14.738 3 HB2 GLU 47 HB2 GLU 47 2.497 3.642 15.024 4 HB3 GLU 47 HB3 GLU 47 3.841 3.463 13.911 5 HG2 GLU 47 HG2 GLU 47 2.351 3.748 12.032 6 HG3 GLU 47 HG3 GLU 47 0.967 3.852 13.118 No H/Q in entry = 6 In of MODEL 16 1 H LEU 48 H LEU 48 0.885 0.384 12.658 2 HA LEU 48 HA LEU 48 -1.535 1.279 13.817 3 HB2 LEU 48 HB2 LEU 48 -0.798 -0.944 11.936 4 HB3 LEU 48 HB3 LEU 48 -2.452 -0.651 12.414 5 HG LEU 48 HG LEU 48 -0.703 1.364 11.025 6 HD11 LEU 48 HD11 LEU 48 -1.289 -0.562 9.600 7 HD12 LEU 48 HD12 LEU 48 -2.993 -0.279 9.956 8 HD13 LEU 48 HD13 LEU 48 -2.064 0.931 9.074 9 HD21 LEU 48 HD21 LEU 48 -3.575 1.357 11.912 10 HD22 LEU 48 HD22 LEU 48 -2.298 2.487 12.363 11 HD23 LEU 48 HD23 LEU 48 -2.936 2.492 10.719 No H/Q in entry = 11 In of MODEL 16 1 H GLU 49 H GLU 49 -2.856 -1.260 13.880 2 HA GLU 49 HA GLU 49 -1.959 -2.553 16.263 3 HB2 GLU 49 HB2 GLU 49 -3.907 -1.957 17.631 4 HB3 GLU 49 HB3 GLU 49 -2.923 -0.558 17.245 5 HG2 GLU 49 HG2 GLU 49 -4.850 0.402 16.719 6 HG3 GLU 49 HG3 GLU 49 -4.718 -0.526 15.229 No H/Q in entry = 6 In of MODEL 16 1 H GLY 50 H GLY 50 -4.155 -3.885 17.067 2 HA2 GLY 50 HA2 GLY 50 -5.554 -5.633 16.524 3 HA3 GLY 50 HA3 GLY 50 -4.216 -6.066 15.487 No H/Q in entry = 3 In of MODEL 16 1 H ASP 51 H ASP 51 -7.228 -4.174 15.530 2 HA ASP 51 HA ASP 51 -8.018 -5.359 13.036 3 HB2 ASP 51 HB2 ASP 51 -9.679 -4.799 14.763 4 HB3 ASP 51 HB3 ASP 51 -9.291 -3.092 14.587 No H/Q in entry = 4 In of MODEL 16 1 H ALA 52 H ALA 52 -6.715 -2.208 14.004 2 HA ALA 52 HA ALA 52 -7.332 -0.821 11.625 3 HB1 ALA 52 HB1 ALA 52 -4.874 -0.374 13.319 4 HB2 ALA 52 HB2 ALA 52 -5.685 0.790 12.273 5 HB3 ALA 52 HB3 ALA 52 -6.479 0.221 13.743 No H/Q in entry = 5 In of MODEL 16 1 H LYS 53 H LYS 53 -4.495 -2.740 12.519 2 HA LYS 53 HA LYS 53 -3.116 -2.263 10.073 3 HB2 LYS 53 HB2 LYS 53 -2.114 -3.017 12.285 4 HB3 LYS 53 HB3 LYS 53 -2.639 -4.633 11.816 5 HG2 LYS 53 HG2 LYS 53 -1.262 -4.647 9.914 6 HG3 LYS 53 HG3 LYS 53 -0.972 -2.908 10.018 7 HD2 LYS 53 HD2 LYS 53 0.239 -3.217 12.083 8 HD3 LYS 53 HD3 LYS 53 -0.091 -4.942 12.023 9 HE2 LYS 53 HE2 LYS 53 1.141 -5.050 9.868 10 HE3 LYS 53 HE3 LYS 53 1.542 -3.347 10.058 11 HZ1 LYS 53 HZ1 LYS 53 2.716 -3.907 12.105 12 HZ2 LYS 53 HZ2 LYS 53 2.351 -5.542 11.885 13 HZ3 LYS 53 HZ3 LYS 53 3.353 -4.748 10.783 No H/Q in entry = 13 In of MODEL 16 1 H LYS 54 H LYS 54 -5.048 -4.953 11.342 2 HA LYS 54 HA LYS 54 -4.960 -6.648 9.167 3 HB2 LYS 54 HB2 LYS 54 -6.305 -7.796 10.505 4 HB3 LYS 54 HB3 LYS 54 -6.530 -6.373 11.510 5 HG2 LYS 54 HG2 LYS 54 -8.488 -5.757 10.402 6 HG3 LYS 54 HG3 LYS 54 -8.154 -6.815 9.028 7 HD2 LYS 54 HD2 LYS 54 -8.364 -8.752 10.566 8 HD3 LYS 54 HD3 LYS 54 -8.868 -7.639 11.835 9 HE2 LYS 54 HE2 LYS 54 -10.282 -8.200 9.231 10 HE3 LYS 54 HE3 LYS 54 -10.832 -8.623 10.850 11 HZ1 LYS 54 HZ1 LYS 54 -10.818 -6.133 11.290 12 HZ2 LYS 54 HZ2 LYS 54 -10.670 -5.937 9.609 13 HZ3 LYS 54 HZ3 LYS 54 -12.027 -6.717 10.258 No H/Q in entry = 13 In of MODEL 16 1 H GLU 55 H GLU 55 -7.158 -3.901 9.720 2 HA GLU 55 HA GLU 55 -8.535 -4.157 7.290 3 HB2 GLU 55 HB2 GLU 55 -8.163 -1.940 9.301 4 HB3 GLU 55 HB3 GLU 55 -9.143 -1.706 7.874 5 HG2 GLU 55 HG2 GLU 55 -9.591 -3.748 10.026 6 HG3 GLU 55 HG3 GLU 55 -10.500 -2.264 9.785 No H/Q in entry = 6 In of MODEL 16 1 H ALA 56 H ALA 56 -5.851 -2.023 8.294 2 HA ALA 56 HA ALA 56 -5.698 -0.701 5.856 3 HB1 ALA 56 HB1 ALA 56 -3.438 -0.013 6.520 4 HB2 ALA 56 HB2 ALA 56 -3.419 -1.256 7.771 5 HB3 ALA 56 HB3 ALA 56 -4.547 0.095 7.886 No H/Q in entry = 5 In of MODEL 16 1 H THR 57 H THR 57 -3.804 -3.471 7.019 2 HA THR 57 HA THR 57 -2.249 -3.995 4.828 3 HB THR 57 HB THR 57 -3.641 -6.080 6.522 4 HG1 THR 57 HG1 THR 57 -2.530 -4.892 7.957 5 HG21 THR 57 HG21 THR 57 -2.578 -6.989 4.521 6 HG22 THR 57 HG22 THR 57 -1.064 -6.200 4.959 7 HG23 THR 57 HG23 THR 57 -1.719 -7.482 5.979 No H/Q in entry = 7 In of MODEL 16 1 H GLU 58 H GLU 58 -5.574 -5.048 5.419 2 HA GLU 58 HA GLU 58 -5.835 -6.494 2.962 3 HB2 GLU 58 HB2 GLU 58 -7.749 -5.596 5.081 4 HB3 GLU 58 HB3 GLU 58 -8.344 -6.260 3.556 5 HG2 GLU 58 HG2 GLU 58 -6.685 -8.191 4.066 6 HG3 GLU 58 HG3 GLU 58 -6.762 -7.575 5.716 No H/Q in entry = 6 In of MODEL 16 1 H HIS 59 H HIS 59 -6.142 -3.136 3.762 2 HA HIS 59 HA HIS 59 -7.690 -2.524 1.400 3 HB2 HIS 59 HB2 HIS 59 -6.296 -0.806 3.447 4 HB3 HIS 59 HB3 HIS 59 -7.012 -0.122 1.992 5 HD1 HIS 59 HD1 HIS 59 -9.656 -1.588 1.843 6 HD2 HIS 59 HD2 HIS 59 -8.049 -0.145 5.397 7 HE1 HIS 59 HE1 HIS 59 -11.604 -1.329 3.412 8 HE2 HIS 59 HE2 HIS 59 -10.579 -0.623 5.604 No H/Q in entry = 8 In of MODEL 16 1 H LEU 60 H LEU 60 -4.324 -1.985 2.466 2 HA LEU 60 HA LEU 60 -3.289 -1.236 0.025 3 HB2 LEU 60 HB2 LEU 60 -2.074 -2.710 2.348 4 HB3 LEU 60 HB3 LEU 60 -1.143 -2.245 0.932 5 HG LEU 60 HG LEU 60 -1.678 0.086 1.358 6 HD11 LEU 60 HD11 LEU 60 -3.775 -0.109 2.456 7 HD12 LEU 60 HD12 LEU 60 -2.990 -0.839 3.859 8 HD13 LEU 60 HD13 LEU 60 -2.641 0.837 3.427 9 HD21 LEU 60 HD21 LEU 60 0.386 -0.861 2.249 10 HD22 LEU 60 HD22 LEU 60 -0.245 0.401 3.307 11 HD23 LEU 60 HD23 LEU 60 -0.463 -1.299 3.732 No H/Q in entry = 11 In of MODEL 16 1 H LYS 61 H LYS 61 -4.057 -4.458 1.302 2 HA LYS 61 HA LYS 61 -2.843 -6.002 -0.694 3 HB2 LYS 61 HB2 LYS 61 -5.179 -6.439 1.129 4 HB3 LYS 61 HB3 LYS 61 -4.892 -7.575 -0.176 5 HG2 LYS 61 HG2 LYS 61 -2.694 -8.084 0.702 6 HG3 LYS 61 HG3 LYS 61 -2.896 -6.873 1.970 7 HD2 LYS 61 HD2 LYS 61 -4.745 -8.134 2.918 8 HD3 LYS 61 HD3 LYS 61 -4.646 -9.310 1.607 9 HE2 LYS 61 HE2 LYS 61 -2.470 -10.024 2.351 10 HE3 LYS 61 HE3 LYS 61 -2.426 -8.755 3.571 11 HZ1 LYS 61 HZ1 LYS 61 -4.368 -11.008 3.517 12 HZ2 LYS 61 HZ2 LYS 61 -3.007 -10.914 4.514 13 HZ3 LYS 61 HZ3 LYS 61 -4.270 -9.806 4.706 No H/Q in entry = 13 In of MODEL 16 1 H GLY 62 H GLY 62 -6.240 -4.912 -0.470 2 HA2 GLY 62 HA2 GLY 62 -7.707 -4.252 -2.102 3 HA3 GLY 62 HA3 GLY 62 -7.062 -5.597 -3.032 No H/Q in entry = 3 In of MODEL 16 1 H GLY 63 H GLY 63 -5.401 -2.663 -1.934 2 HA2 GLY 63 HA2 GLY 63 -4.037 -1.228 -3.097 3 HA3 GLY 63 HA3 GLY 63 -5.300 -1.257 -4.322 No H/Q in entry = 3 In of MODEL 16 1 H CYS 64 H CYS 64 -2.862 -3.551 -3.117 2 HA CYS 64 HA CYS 64 -1.379 -3.642 -5.504 3 HB2 CYS 64 HB2 CYS 64 -1.606 -5.639 -3.255 4 HB3 CYS 64 HB3 CYS 64 -0.423 -5.743 -4.557 No H/Q in entry = 4 In of MODEL 16 1 H ARG 65 H ARG 65 -4.198 -5.400 -4.426 2 HA ARG 65 HA ARG 65 -4.248 -7.477 -6.292 3 HB2 ARG 65 HB2 ARG 65 -5.807 -7.378 -4.422 4 HB3 ARG 65 HB3 ARG 65 -6.533 -5.915 -5.069 5 HG2 ARG 65 HG2 ARG 65 -7.189 -7.271 -7.087 6 HG3 ARG 65 HG3 ARG 65 -6.691 -8.700 -6.179 7 HD2 ARG 65 HD2 ARG 65 -8.797 -6.709 -5.347 8 HD3 ARG 65 HD3 ARG 65 -9.093 -8.320 -5.988 9 HE ARG 65 HE ARG 65 -7.836 -7.746 -3.382 10 HH11 ARG 65 HH11 ARG 65 -9.673 -9.840 -5.504 11 HH12 ARG 65 HH12 ARG 65 -10.018 -11.004 -4.264 12 HH21 ARG 65 HH21 ARG 65 -8.290 -9.272 -1.751 13 HH22 ARG 65 HH22 ARG 65 -9.227 -10.682 -2.132 No H/Q in entry = 13 In of MODEL 16 1 H GLU 66 H GLU 66 -5.587 -4.212 -6.463 2 HA GLU 66 HA GLU 66 -6.518 -4.459 -9.135 3 HB2 GLU 66 HB2 GLU 66 -5.990 -2.044 -7.394 4 HB3 GLU 66 HB3 GLU 66 -6.764 -1.971 -8.973 5 HG2 GLU 66 HG2 GLU 66 -8.630 -3.214 -8.224 6 HG3 GLU 66 HG3 GLU 66 -7.815 -3.676 -6.734 No H/Q in entry = 6 In of MODEL 16 1 H ILE 67 H ILE 67 -3.475 -3.586 -7.687 2 HA ILE 67 HA ILE 67 -2.291 -2.498 -10.044 3 HB ILE 67 HB ILE 67 -1.030 -3.688 -7.573 4 HG12 ILE 67 HG12 ILE 67 -1.306 -0.824 -8.507 5 HG13 ILE 67 HG13 ILE 67 -2.331 -1.590 -7.300 6 HG21 ILE 67 HG21 ILE 67 0.505 -3.932 -9.458 7 HG22 ILE 67 HG22 ILE 67 0.301 -2.225 -9.857 8 HG23 ILE 67 HG23 ILE 67 1.079 -2.689 -8.345 9 HD11 ILE 67 HD11 ILE 67 0.635 -1.169 -7.063 10 HD12 ILE 67 HD12 ILE 67 -0.614 -0.188 -6.296 11 HD13 ILE 67 HD13 ILE 67 -0.419 -1.881 -5.841 No H/Q in entry = 11 In of MODEL 16 1 H LEU 68 H LEU 68 -2.125 -5.713 -8.497 2 HA LEU 68 HA LEU 68 -0.667 -6.958 -10.565 3 HB2 LEU 68 HB2 LEU 68 -2.406 -7.907 -8.340 4 HB3 LEU 68 HB3 LEU 68 -2.075 -9.036 -9.638 5 HG LEU 68 HG LEU 68 -0.522 -9.401 -7.825 6 HD11 LEU 68 HD11 LEU 68 0.251 -9.677 -10.149 7 HD12 LEU 68 HD12 LEU 68 0.890 -8.034 -10.107 8 HD13 LEU 68 HD13 LEU 68 1.553 -9.265 -9.034 9 HD21 LEU 68 HD21 LEU 68 -0.572 -7.180 -6.812 10 HD22 LEU 68 HD22 LEU 68 1.085 -7.698 -7.130 11 HD23 LEU 68 HD23 LEU 68 0.309 -6.525 -8.192 No H/Q in entry = 11 In of MODEL 16 1 H LYS 69 H LYS 69 -4.038 -6.217 -10.151 2 HA LYS 69 HA LYS 69 -4.980 -7.686 -12.341 3 HB2 LYS 69 HB2 LYS 69 -6.364 -6.568 -10.512 4 HB3 LYS 69 HB3 LYS 69 -6.169 -5.073 -11.418 5 HG2 LYS 69 HG2 LYS 69 -7.270 -6.052 -13.336 6 HG3 LYS 69 HG3 LYS 69 -7.392 -7.598 -12.496 7 HD2 LYS 69 HD2 LYS 69 -8.843 -6.587 -10.818 8 HD3 LYS 69 HD3 LYS 69 -8.692 -5.020 -11.619 9 HE2 LYS 69 HE2 LYS 69 -9.701 -6.000 -13.649 10 HE3 LYS 69 HE3 LYS 69 -9.920 -7.518 -12.783 11 HZ1 LYS 69 HZ1 LYS 69 -11.123 -4.926 -11.979 12 HZ2 LYS 69 HZ2 LYS 69 -11.932 -6.136 -12.835 13 HZ3 LYS 69 HZ3 LYS 69 -11.404 -6.429 -11.255 No H/Q in entry = 13 In of MODEL 16 1 H HIS 70 H HIS 70 -2.902 -5.084 -12.239 2 HA HIS 70 HA HIS 70 -3.547 -4.211 -14.961 3 HB2 HIS 70 HB2 HIS 70 -3.382 -2.370 -13.340 4 HB3 HIS 70 HB3 HIS 70 -1.774 -2.910 -12.875 5 HD1 HIS 70 HD1 HIS 70 -3.514 -0.723 -15.209 6 HD2 HIS 70 HD2 HIS 70 0.183 -2.620 -15.037 7 HE1 HIS 70 HE1 HIS 70 -2.070 0.471 -16.875 8 HE2 HIS 70 HE2 HIS 70 0.079 -0.836 -16.916 No H/Q in entry = 8 In of MODEL 16 1 H VAL 71 H VAL 71 -0.817 -4.976 -12.837 2 HA VAL 71 HA VAL 71 1.077 -5.023 -14.921 3 HB VAL 71 HB VAL 71 1.740 -4.327 -12.741 4 HG11 VAL 71 HG11 VAL 71 0.966 -7.031 -11.790 5 HG12 VAL 71 HG12 VAL 71 1.869 -5.838 -10.850 6 HG13 VAL 71 HG13 VAL 71 0.222 -5.480 -11.382 7 HG21 VAL 71 HG21 VAL 71 2.966 -6.880 -13.633 8 HG22 VAL 71 HG22 VAL 71 3.558 -5.232 -13.837 9 HG23 VAL 71 HG23 VAL 71 3.580 -5.983 -12.243 No H/Q in entry = 9 In of MODEL 16 1 H VAL 72 H VAL 72 -0.426 -7.613 -13.008 2 HA VAL 72 HA VAL 72 0.839 -9.553 -14.784 3 HB VAL 72 HB VAL 72 0.562 -9.651 -12.128 4 HG11 VAL 72 HG11 VAL 72 -1.901 -10.993 -13.160 5 HG12 VAL 72 HG12 VAL 72 -1.164 -11.407 -11.613 6 HG13 VAL 72 HG13 VAL 72 -1.760 -9.770 -11.898 7 HG21 VAL 72 HG21 VAL 72 0.621 -11.911 -14.069 8 HG22 VAL 72 HG22 VAL 72 1.978 -11.096 -13.294 9 HG23 VAL 72 HG23 VAL 72 0.895 -12.108 -12.337 No H/Q in entry = 9 In of MODEL 16 1 H GLY 73 H GLY 73 -1.977 -7.820 -14.461 2 HA2 GLY 73 HA2 GLY 73 -3.242 -9.269 -16.601 3 HA3 GLY 73 HA3 GLY 73 -3.806 -7.774 -15.869 No H/Q in entry = 3 In of MODEL 16 1 H GLU 74 H GLU 74 -5.912 -8.833 -16.032 2 HA GLU 74 HA GLU 74 -6.802 -9.951 -13.618 3 HB2 GLU 74 HB2 GLU 74 -8.239 -8.774 -15.273 4 HB3 GLU 74 HB3 GLU 74 -8.079 -10.150 -16.354 5 HG2 GLU 74 HG2 GLU 74 -9.194 -11.571 -14.721 6 HG3 GLU 74 HG3 GLU 74 -9.348 -10.196 -13.626 No H/Q in entry = 6 In of MODEL 16 1 H GLU 75 H GLU 75 -5.631 -11.328 -16.578 2 HA GLU 75 HA GLU 75 -6.241 -13.987 -16.481 3 HB2 GLU 75 HB2 GLU 75 -4.993 -13.120 -18.298 4 HB3 GLU 75 HB3 GLU 75 -3.709 -12.551 -17.247 5 HG2 GLU 75 HG2 GLU 75 -3.063 -14.855 -16.783 6 HG3 GLU 75 HG3 GLU 75 -4.358 -15.428 -17.834 No H/Q in entry = 6 In of MODEL 16 1 H LYS 76 H LYS 76 -3.214 -12.713 -15.047 2 HA LYS 76 HA LYS 76 -2.746 -15.270 -13.880 3 HB2 LYS 76 HB2 LYS 76 -1.239 -12.667 -13.618 4 HB3 LYS 76 HB3 LYS 76 -0.694 -14.219 -13.018 5 HG2 LYS 76 HG2 LYS 76 -1.205 -13.540 -15.901 6 HG3 LYS 76 HG3 LYS 76 0.375 -13.678 -15.129 7 HD2 LYS 76 HD2 LYS 76 -1.646 -15.904 -15.423 8 HD3 LYS 76 HD3 LYS 76 -0.192 -15.698 -16.398 9 HE2 LYS 76 HE2 LYS 76 1.178 -15.923 -14.377 10 HE3 LYS 76 HE3 LYS 76 -0.281 -16.158 -13.420 11 HZ1 LYS 76 HZ1 LYS 76 0.623 -17.928 -15.621 12 HZ2 LYS 76 HZ2 LYS 76 0.788 -18.256 -13.970 13 HZ3 LYS 76 HZ3 LYS 76 -0.758 -18.159 -14.664 No H/Q in entry = 13 In of MODEL 16 1 H ALA 77 H ALA 77 -3.827 -12.144 -12.691 2 HA ALA 77 HA ALA 77 -3.607 -12.710 -9.943 3 HB1 ALA 77 HB1 ALA 77 -5.207 -10.887 -9.622 4 HB2 ALA 77 HB2 ALA 77 -5.588 -10.906 -11.344 5 HB3 ALA 77 HB3 ALA 77 -3.974 -10.445 -10.803 No H/Q in entry = 5 In of MODEL 16 1 H ALA 78 H ALA 78 -6.012 -13.500 -12.362 2 HA ALA 78 HA ALA 78 -8.024 -14.485 -10.651 3 HB1 ALA 78 HB1 ALA 78 -8.613 -14.070 -12.901 4 HB2 ALA 78 HB2 ALA 78 -8.673 -15.825 -12.725 5 HB3 ALA 78 HB3 ALA 78 -7.289 -15.057 -13.522 No H/Q in entry = 5 In of MODEL 16 1 H GLU 79 H GLU 79 -5.103 -15.897 -11.983 2 HA GLU 79 HA GLU 79 -5.728 -18.570 -11.114 3 HB2 GLU 79 HB2 GLU 79 -3.004 -17.568 -11.913 4 HB3 GLU 79 HB3 GLU 79 -3.643 -19.202 -12.036 5 HG2 GLU 79 HG2 GLU 79 -5.287 -18.312 -13.710 6 HG3 GLU 79 HG3 GLU 79 -4.366 -16.808 -13.691 No H/Q in entry = 6 In of MODEL 16 1 H LEU 80 H LEU 80 -3.973 -15.817 -9.902 2 HA LEU 80 HA LEU 80 -2.684 -17.244 -7.778 3 HB2 LEU 80 HB2 LEU 80 -3.106 -14.285 -8.215 4 HB3 LEU 80 HB3 LEU 80 -2.020 -14.996 -7.032 5 HG LEU 80 HG LEU 80 -1.770 -15.452 -10.002 6 HD11 LEU 80 HD11 LEU 80 -0.376 -13.445 -8.253 7 HD12 LEU 80 HD12 LEU 80 0.178 -13.915 -9.865 8 HD13 LEU 80 HD13 LEU 80 -1.399 -13.134 -9.658 9 HD21 LEU 80 HD21 LEU 80 0.052 -16.021 -7.680 10 HD22 LEU 80 HD22 LEU 80 -0.792 -17.194 -8.688 11 HD23 LEU 80 HD23 LEU 80 0.491 -16.205 -9.378 No H/Q in entry = 11 In of MODEL 16 1 H LYS 81 H LYS 81 -5.603 -15.300 -8.136 2 HA LYS 81 HA LYS 81 -6.438 -15.343 -5.453 3 HB2 LYS 81 HB2 LYS 81 -7.637 -13.923 -6.929 4 HB3 LYS 81 HB3 LYS 81 -7.942 -15.230 -8.067 5 HG2 LYS 81 HG2 LYS 81 -9.977 -14.692 -6.916 6 HG3 LYS 81 HG3 LYS 81 -9.430 -16.288 -6.403 7 HD2 LYS 81 HD2 LYS 81 -8.376 -15.152 -4.409 8 HD3 LYS 81 HD3 LYS 81 -9.245 -13.692 -4.890 9 HE2 LYS 81 HE2 LYS 81 -10.475 -16.358 -4.195 10 HE3 LYS 81 HE3 LYS 81 -10.482 -14.918 -3.181 11 HZ1 LYS 81 HZ1 LYS 81 -11.787 -13.788 -4.879 12 HZ2 LYS 81 HZ2 LYS 81 -11.788 -15.180 -5.836 13 HZ3 LYS 81 HZ3 LYS 81 -12.574 -15.180 -4.340 No H/Q in entry = 13 In of MODEL 16 1 H ASN 82 H ASN 82 -6.971 -17.618 -8.120 2 HA ASN 82 HA ASN 82 -8.531 -19.404 -6.551 3 HB2 ASN 82 HB2 ASN 82 -8.631 -19.266 -9.049 4 HB3 ASN 82 HB3 ASN 82 -7.036 -19.994 -9.116 5 HD21 ASN 82 HD21 ASN 82 -6.795 -22.170 -8.754 6 HD22 ASN 82 HD22 ASN 82 -8.136 -23.254 -8.614 No H/Q in entry = 6 In of MODEL 16 1 H LEU 83 H LEU 83 -5.138 -18.907 -6.902 2 HA LEU 83 HA LEU 83 -4.309 -21.448 -6.062 3 HB2 LEU 83 HB2 LEU 83 -3.156 -18.718 -6.193 4 HB3 LEU 83 HB3 LEU 83 -2.381 -19.862 -5.145 5 HG LEU 83 HG LEU 83 -2.762 -20.127 -8.118 6 HD11 LEU 83 HD11 LEU 83 -0.988 -18.588 -7.368 7 HD12 LEU 83 HD12 LEU 83 -0.247 -19.913 -6.473 8 HD13 LEU 83 HD13 LEU 83 -0.361 -19.991 -8.231 9 HD21 LEU 83 HD21 LEU 83 -1.527 -22.076 -6.175 10 HD22 LEU 83 HD22 LEU 83 -3.002 -22.320 -7.107 11 HD23 LEU 83 HD23 LEU 83 -1.450 -22.200 -7.930 No H/Q in entry = 11 In of MODEL 16 1 H LYS 84 H LYS 84 -4.672 -18.401 -4.279 2 HA LYS 84 HA LYS 84 -4.332 -19.374 -1.702 3 HB2 LYS 84 HB2 LYS 84 -4.476 -16.980 -2.245 4 HB3 LYS 84 HB3 LYS 84 -6.189 -17.158 -2.598 5 HG2 LYS 84 HG2 LYS 84 -6.532 -17.872 -0.236 6 HG3 LYS 84 HG3 LYS 84 -4.840 -17.482 0.073 7 HD2 LYS 84 HD2 LYS 84 -5.236 -15.166 -0.548 8 HD3 LYS 84 HD3 LYS 84 -6.912 -15.541 -0.951 9 HE2 LYS 84 HE2 LYS 84 -7.270 -16.230 1.404 10 HE3 LYS 84 HE3 LYS 84 -5.627 -15.712 1.772 11 HZ1 LYS 84 HZ1 LYS 84 -6.233 -13.467 1.088 12 HZ2 LYS 84 HZ2 LYS 84 -7.814 -13.976 0.769 13 HZ3 LYS 84 HZ3 LYS 84 -7.220 -14.007 2.351 No H/Q in entry = 13 In of MODEL 16 1 H ASP 85 H ASP 85 -7.357 -19.073 -3.536 2 HA ASP 85 HA ASP 85 -9.091 -20.073 -1.579 3 HB2 ASP 85 HB2 ASP 85 -9.854 -18.881 -3.582 4 HB3 ASP 85 HB3 ASP 85 -9.338 -20.233 -4.585 No H/Q in entry = 4 In of MODEL 16 1 H SER 86 H SER 86 -7.232 -21.805 -4.067 2 HA SER 86 HA SER 86 -8.533 -24.289 -3.426 3 HB2 SER 86 HB2 SER 86 -6.098 -23.775 -5.144 4 HB3 SER 86 HB3 SER 86 -7.005 -25.287 -5.065 5 HG SER 86 HG SER 86 -7.719 -22.818 -6.199 No H/Q in entry = 5 In of MODEL 16 1 H GLY 87 H GLY 87 -6.022 -22.539 -2.028 2 HA2 GLY 87 HA2 GLY 87 -5.356 -24.937 -0.439 3 HA3 GLY 87 HA3 GLY 87 -5.389 -23.297 0.191 No H/Q in entry = 3 In of MODEL 16 1 H ALA 88 H ALA 88 -3.964 -22.590 -2.524 2 HA ALA 88 HA ALA 88 -1.358 -23.577 -2.262 3 HB1 ALA 88 HB1 ALA 88 -2.249 -20.873 -3.260 4 HB2 ALA 88 HB2 ALA 88 -2.075 -22.336 -4.226 5 HB3 ALA 88 HB3 ALA 88 -0.654 -21.580 -3.508 No H/Q in entry = 5 In of MODEL 16 1 H SER 89 H SER 89 0.174 -23.088 -0.869 2 HA SER 89 HA SER 89 -0.318 -21.433 1.425 3 HB2 SER 89 HB2 SER 89 1.009 -23.586 1.468 4 HB3 SER 89 HB3 SER 89 2.291 -22.738 0.608 5 HG SER 89 HG SER 89 2.927 -22.000 2.458 No H/Q in entry = 5 In of MODEL 16 1 H LYS 90 H LYS 90 1.435 -19.818 2.089 2 HA LYS 90 HA LYS 90 1.409 -17.724 0.218 3 HB2 LYS 90 HB2 LYS 90 2.878 -18.104 2.813 4 HB3 LYS 90 HB3 LYS 90 3.054 -16.643 1.855 5 HG2 LYS 90 HG2 LYS 90 0.641 -16.247 2.024 6 HG3 LYS 90 HG3 LYS 90 0.480 -17.702 3.006 7 HD2 LYS 90 HD2 LYS 90 2.201 -15.337 3.738 8 HD3 LYS 90 HD3 LYS 90 0.557 -15.588 4.323 9 HE2 LYS 90 HE2 LYS 90 1.240 -17.688 5.360 10 HE3 LYS 90 HE3 LYS 90 2.880 -17.460 4.758 11 HZ1 LYS 90 HZ1 LYS 90 1.485 -15.657 6.660 12 HZ2 LYS 90 HZ2 LYS 90 2.666 -16.793 7.075 13 HZ3 LYS 90 HZ3 LYS 90 3.070 -15.471 6.100 No H/Q in entry = 13 In of MODEL 16 1 H GLU 91 H GLU 91 3.493 -20.382 0.427 2 HA GLU 91 HA GLU 91 5.762 -19.050 -0.725 3 HB2 GLU 91 HB2 GLU 91 5.165 -21.965 -0.265 4 HB3 GLU 91 HB3 GLU 91 6.657 -21.383 -0.993 5 HG2 GLU 91 HG2 GLU 91 7.124 -21.747 1.270 6 HG3 GLU 91 HG3 GLU 91 7.005 -20.009 1.077 No H/Q in entry = 6 In of MODEL 16 1 H GLU 92 H GLU 92 3.309 -21.330 -1.852 2 HA GLU 92 HA GLU 92 3.882 -21.518 -4.533 3 HB2 GLU 92 HB2 GLU 92 1.176 -21.352 -3.212 4 HB3 GLU 92 HB3 GLU 92 1.522 -22.059 -4.774 5 HG2 GLU 92 HG2 GLU 92 2.633 -23.068 -2.186 6 HG3 GLU 92 HG3 GLU 92 1.186 -23.691 -2.961 No H/Q in entry = 6 In of MODEL 16 1 H LEU 93 H LEU 93 1.949 -19.150 -2.745 2 HA LEU 93 HA LEU 93 1.511 -17.478 -5.010 3 HB2 LEU 93 HB2 LEU 93 1.415 -16.907 -2.047 4 HB3 LEU 93 HB3 LEU 93 0.967 -15.733 -3.276 5 HG LEU 93 HG LEU 93 -0.345 -18.437 -2.967 6 HD11 LEU 93 HD11 LEU 93 -1.249 -15.735 -2.017 7 HD12 LEU 93 HD12 LEU 93 -2.282 -17.164 -2.123 8 HD13 LEU 93 HD13 LEU 93 -0.893 -17.156 -1.031 9 HD21 LEU 93 HD21 LEU 93 -1.038 -16.027 -4.631 10 HD22 LEU 93 HD22 LEU 93 -0.479 -17.594 -5.216 11 HD23 LEU 93 HD23 LEU 93 -2.054 -17.454 -4.441 No H/Q in entry = 11 In of MODEL 16 1 H LYS 94 H LYS 94 4.086 -17.559 -2.498 2 HA LYS 94 HA LYS 94 5.081 -15.038 -3.278 3 HB2 LYS 94 HB2 LYS 94 5.639 -15.925 -1.106 4 HB3 LYS 94 HB3 LYS 94 6.413 -17.328 -1.820 5 HG2 LYS 94 HG2 LYS 94 8.186 -15.946 -2.704 6 HG3 LYS 94 HG3 LYS 94 7.390 -14.495 -2.093 7 HD2 LYS 94 HD2 LYS 94 7.768 -15.121 0.156 8 HD3 LYS 94 HD3 LYS 94 8.222 -16.763 -0.300 9 HE2 LYS 94 HE2 LYS 94 10.158 -15.352 0.325 10 HE3 LYS 94 HE3 LYS 94 10.253 -15.973 -1.318 11 HZ1 LYS 94 HZ1 LYS 94 9.348 -13.244 -0.592 12 HZ2 LYS 94 HZ2 LYS 94 10.891 -13.634 -1.157 13 HZ3 LYS 94 HZ3 LYS 94 9.547 -13.847 -2.156 No H/Q in entry = 13 In of MODEL 16 1 H ALA 95 H ALA 95 5.730 -18.268 -4.379 2 HA ALA 95 HA ALA 95 7.968 -17.337 -5.965 3 HB1 ALA 95 HB1 ALA 95 6.844 -20.121 -5.702 4 HB2 ALA 95 HB2 ALA 95 8.164 -19.454 -4.745 5 HB3 ALA 95 HB3 ALA 95 8.361 -19.675 -6.482 No H/Q in entry = 5 In of MODEL 16 1 H LYS 96 H LYS 96 4.812 -18.930 -6.551 2 HA LYS 96 HA LYS 96 5.030 -19.014 -9.348 3 HB2 LYS 96 HB2 LYS 96 2.720 -18.950 -7.466 4 HB3 LYS 96 HB3 LYS 96 2.446 -18.846 -9.192 5 HG2 LYS 96 HG2 LYS 96 3.960 -21.053 -7.826 6 HG3 LYS 96 HG3 LYS 96 2.267 -21.138 -8.318 7 HD2 LYS 96 HD2 LYS 96 4.467 -20.505 -10.263 8 HD3 LYS 96 HD3 LYS 96 3.993 -22.156 -9.894 9 HE2 LYS 96 HE2 LYS 96 2.114 -20.023 -10.894 10 HE3 LYS 96 HE3 LYS 96 2.904 -21.213 -11.925 11 HZ1 LYS 96 HZ1 LYS 96 1.063 -21.857 -9.685 12 HZ2 LYS 96 HZ2 LYS 96 0.645 -21.863 -11.326 13 HZ3 LYS 96 HZ3 LYS 96 1.780 -22.968 -10.739 No H/Q in entry = 13 In of MODEL 16 1 H VAL 97 H VAL 97 4.302 -16.355 -7.254 2 HA VAL 97 HA VAL 97 3.185 -14.591 -9.203 3 HB VAL 97 HB VAL 97 4.490 -14.065 -6.527 4 HG11 VAL 97 HG11 VAL 97 4.805 -12.131 -7.968 5 HG12 VAL 97 HG12 VAL 97 3.080 -12.109 -8.328 6 HG13 VAL 97 HG13 VAL 97 3.641 -11.788 -6.688 7 HG21 VAL 97 HG21 VAL 97 1.619 -13.993 -7.434 8 HG22 VAL 97 HG22 VAL 97 2.375 -15.216 -6.403 9 HG23 VAL 97 HG23 VAL 97 2.203 -13.560 -5.822 No H/Q in entry = 9 In of MODEL 16 1 H GLU 98 H GLU 98 6.420 -15.243 -7.949 2 HA GLU 98 HA GLU 98 7.807 -13.233 -9.317 3 HB2 GLU 98 HB2 GLU 98 8.609 -15.950 -8.317 4 HB3 GLU 98 HB3 GLU 98 9.739 -14.948 -9.217 5 HG2 GLU 98 HG2 GLU 98 8.369 -14.196 -6.648 6 HG3 GLU 98 HG3 GLU 98 10.044 -14.716 -6.818 No H/Q in entry = 6 In of MODEL 16 1 H GLU 99 H GLU 99 6.756 -16.450 -10.311 2 HA GLU 99 HA GLU 99 8.136 -16.431 -12.783 3 HB2 GLU 99 HB2 GLU 99 5.643 -17.950 -12.009 4 HB3 GLU 99 HB3 GLU 99 6.628 -18.265 -13.433 5 HG2 GLU 99 HG2 GLU 99 8.559 -18.660 -11.873 6 HG3 GLU 99 HG3 GLU 99 7.395 -18.600 -10.551 No H/Q in entry = 6 In of MODEL 16 1 H ALA 100 H ALA 100 5.116 -15.050 -11.724 2 HA ALA 100 HA ALA 100 4.262 -14.376 -14.389 3 HB1 ALA 100 HB1 ALA 100 2.684 -14.691 -12.530 4 HB2 ALA 100 HB2 ALA 100 2.528 -13.104 -13.282 5 HB3 ALA 100 HB3 ALA 100 3.360 -13.268 -11.736 No H/Q in entry = 5 In of MODEL 16 1 H LEU 101 H LEU 101 5.443 -12.431 -11.639 2 HA LEU 101 HA LEU 101 5.849 -10.061 -13.003 3 HB2 LEU 101 HB2 LEU 101 6.723 -11.241 -10.428 4 HB3 LEU 101 HB3 LEU 101 7.520 -9.777 -10.975 5 HG LEU 101 HG LEU 101 5.404 -8.620 -11.055 6 HD11 LEU 101 HD11 LEU 101 3.961 -10.490 -11.651 7 HD12 LEU 101 HD12 LEU 101 4.110 -11.105 -10.004 8 HD13 LEU 101 HD13 LEU 101 3.336 -9.545 -10.299 9 HD21 LEU 101 HD21 LEU 101 5.846 -10.052 -8.454 10 HD22 LEU 101 HD22 LEU 101 6.629 -8.560 -8.976 11 HD23 LEU 101 HD23 LEU 101 4.894 -8.577 -8.655 No H/Q in entry = 11 In of MODEL 16 1 H HIS 102 H HIS 102 7.795 -12.906 -13.167 2 HA HIS 102 HA HIS 102 10.029 -11.349 -14.187 3 HB2 HIS 102 HB2 HIS 102 9.613 -14.342 -14.008 4 HB3 HIS 102 HB3 HIS 102 11.038 -13.598 -14.723 5 HD1 HIS 102 HD1 HIS 102 11.714 -15.344 -12.497 6 HD2 HIS 102 HD2 HIS 102 10.507 -11.429 -11.821 7 HE1 HIS 102 HE1 HIS 102 12.530 -14.776 -10.193 8 HE2 HIS 102 HE2 HIS 102 11.501 -12.535 -9.699 No H/Q in entry = 8 In of MODEL 16 1 H ALA 103 H ALA 103 7.550 -13.590 -15.367 2 HA ALA 103 HA ALA 103 8.369 -13.588 -18.061 3 HB1 ALA 103 HB1 ALA 103 5.630 -14.188 -16.965 4 HB2 ALA 103 HB2 ALA 103 6.973 -15.330 -17.012 5 HB3 ALA 103 HB3 ALA 103 6.288 -14.708 -18.515 No H/Q in entry = 5 In of MODEL 16 1 H VAL 104 H VAL 104 7.036 -11.051 -16.359 2 HA VAL 104 HA VAL 104 5.318 -10.014 -18.389 3 HB VAL 104 HB VAL 104 4.895 -9.509 -16.050 4 HG11 VAL 104 HG11 VAL 104 7.644 -8.350 -16.214 5 HG12 VAL 104 HG12 VAL 104 6.507 -7.905 -14.942 6 HG13 VAL 104 HG13 VAL 104 7.024 -9.584 -15.103 7 HG21 VAL 104 HG21 VAL 104 5.748 -7.081 -17.611 8 HG22 VAL 104 HG22 VAL 104 4.166 -7.852 -17.660 9 HG23 VAL 104 HG23 VAL 104 4.713 -7.058 -16.183 No H/Q in entry = 9 In of MODEL 16 1 H THR 105 H THR 105 5.771 -8.374 -19.826 2 HA THR 105 HA THR 105 8.517 -7.348 -19.828 3 HB THR 105 HB THR 105 8.515 -7.629 -22.365 4 HG1 THR 105 HG1 THR 105 6.892 -9.839 -22.197 5 HG21 THR 105 HG21 THR 105 8.588 -10.113 -20.649 6 HG22 THR 105 HG22 THR 105 9.293 -9.956 -22.256 7 HG23 THR 105 HG23 THR 105 9.927 -9.000 -20.919 No H/Q in entry = 7 In of MODEL 16 1 H ASP 106 H ASP 106 5.267 -6.558 -19.956 2 HA ASP 106 HA ASP 106 5.564 -4.190 -21.552 3 HB2 ASP 106 HB2 ASP 106 3.351 -5.267 -21.127 4 HB3 ASP 106 HB3 ASP 106 3.510 -4.846 -19.435 No H/Q in entry = 4 In of MODEL 16 1 H GLU 107 H GLU 107 6.622 -2.449 -20.944 2 HA GLU 107 HA GLU 107 8.160 -2.525 -18.634 3 HB2 GLU 107 HB2 GLU 107 8.725 -1.383 -20.792 4 HB3 GLU 107 HB3 GLU 107 7.661 -0.071 -20.304 5 HG2 GLU 107 HG2 GLU 107 9.977 0.462 -19.819 6 HG3 GLU 107 HG3 GLU 107 9.036 0.326 -18.331 No H/Q in entry = 6 In of MODEL 16 1 H GLU 108 H GLU 108 5.272 -0.560 -19.309 2 HA GLU 108 HA GLU 108 5.314 0.958 -16.956 3 HB2 GLU 108 HB2 GLU 108 3.018 0.002 -18.659 4 HB3 GLU 108 HB3 GLU 108 2.819 1.110 -17.312 5 HG2 GLU 108 HG2 GLU 108 4.170 2.764 -18.394 6 HG3 GLU 108 HG3 GLU 108 4.585 1.639 -19.688 No H/Q in entry = 6 In of MODEL 16 1 H LYS 109 H LYS 109 3.954 -2.248 -17.627 2 HA LYS 109 HA LYS 109 2.781 -2.711 -15.116 3 HB2 LYS 109 HB2 LYS 109 3.994 -4.630 -17.113 4 HB3 LYS 109 HB3 LYS 109 3.054 -5.135 -15.718 5 HG2 LYS 109 HG2 LYS 109 1.135 -3.841 -16.607 6 HG3 LYS 109 HG3 LYS 109 2.089 -3.490 -18.046 7 HD2 LYS 109 HD2 LYS 109 2.230 -5.864 -18.556 8 HD3 LYS 109 HD3 LYS 109 1.373 -6.253 -17.070 9 HE2 LYS 109 HE2 LYS 109 -0.078 -6.344 -19.062 10 HE3 LYS 109 HE3 LYS 109 -0.617 -5.157 -17.875 11 HZ1 LYS 109 HZ1 LYS 109 0.975 -4.500 -20.293 12 HZ2 LYS 109 HZ2 LYS 109 -0.703 -4.353 -20.187 13 HZ3 LYS 109 HZ3 LYS 109 0.288 -3.403 -19.205 No H/Q in entry = 13 In of MODEL 16 1 H LYS 110 H LYS 110 6.044 -3.322 -16.321 2 HA LYS 110 HA LYS 110 6.972 -4.608 -13.955 3 HB2 LYS 110 HB2 LYS 110 8.512 -3.286 -16.194 4 HB3 LYS 110 HB3 LYS 110 9.198 -4.356 -14.980 5 HG2 LYS 110 HG2 LYS 110 8.180 -6.229 -15.873 6 HG3 LYS 110 HG3 LYS 110 6.973 -5.280 -16.744 7 HD2 LYS 110 HD2 LYS 110 8.586 -6.186 -18.300 8 HD3 LYS 110 HD3 LYS 110 8.743 -4.437 -18.234 9 HE2 LYS 110 HE2 LYS 110 10.494 -6.297 -16.648 10 HE3 LYS 110 HE3 LYS 110 10.891 -5.773 -18.278 11 HZ1 LYS 110 HZ1 LYS 110 10.676 -3.427 -17.367 12 HZ2 LYS 110 HZ2 LYS 110 10.711 -4.134 -15.829 13 HZ3 LYS 110 HZ3 LYS 110 12.025 -4.326 -16.865 No H/Q in entry = 13 In of MODEL 16 1 H GLN 111 H GLN 111 6.643 -1.338 -14.922 2 HA GLN 111 HA GLN 111 8.367 -0.135 -13.052 3 HB2 GLN 111 HB2 GLN 111 7.313 1.151 -14.844 4 HB3 GLN 111 HB3 GLN 111 5.728 0.875 -14.134 5 HG2 GLN 111 HG2 GLN 111 6.505 3.099 -13.617 6 HG3 GLN 111 HG3 GLN 111 6.400 2.133 -12.148 7 HE21 GLN 111 HE21 GLN 111 8.302 1.468 -11.128 8 HE22 GLN 111 HE22 GLN 111 9.822 2.230 -11.442 No H/Q in entry = 8 In of MODEL 16 1 H TYR 112 H TYR 112 5.088 -1.405 -12.771 2 HA TYR 112 HA TYR 112 4.701 -0.489 -10.076 3 HB2 TYR 112 HB2 TYR 112 3.285 -2.624 -11.688 4 HB3 TYR 112 HB3 TYR 112 2.833 -2.183 -10.046 5 HD1 TYR 112 HD1 TYR 112 3.127 0.767 -10.151 6 HD2 TYR 112 HD2 TYR 112 1.468 -1.955 -12.972 7 HE1 TYR 112 HE1 TYR 112 1.699 2.565 -11.027 8 HE2 TYR 112 HE2 TYR 112 0.037 -0.158 -13.861 9 HH TYR 112 HH TYR 112 0.455 3.155 -12.957 No H/Q in entry = 9 In of MODEL 16 1 H ILE 113 H ILE 113 5.973 -3.362 -11.621 2 HA ILE 113 HA ILE 113 6.200 -4.983 -9.347 3 HB ILE 113 HB ILE 113 7.874 -4.870 -11.843 4 HG12 ILE 113 HG12 ILE 113 5.724 -6.763 -10.883 5 HG13 ILE 113 HG13 ILE 113 5.499 -5.498 -12.081 6 HG21 ILE 113 HG21 ILE 113 9.219 -5.830 -10.045 7 HG22 ILE 113 HG22 ILE 113 7.915 -6.951 -9.656 8 HG23 ILE 113 HG23 ILE 113 8.747 -7.070 -11.207 9 HD11 ILE 113 HD11 ILE 113 7.105 -6.607 -13.539 10 HD12 ILE 113 HD12 ILE 113 7.289 -7.886 -12.341 11 HD13 ILE 113 HD13 ILE 113 5.736 -7.645 -13.136 No H/Q in entry = 11 In of MODEL 16 1 H ALA 114 H ALA 114 8.451 -2.579 -10.700 2 HA ALA 114 HA ALA 114 10.411 -2.931 -8.654 3 HB1 ALA 114 HB1 ALA 114 10.997 -2.033 -10.853 4 HB2 ALA 114 HB2 ALA 114 11.437 -0.907 -9.569 5 HB3 ALA 114 HB3 ALA 114 9.994 -0.615 -10.543 No H/Q in entry = 5 In of MODEL 16 1 H ASP 115 H ASP 115 7.770 -0.661 -9.190 2 HA ASP 115 HA ASP 115 8.504 0.977 -6.966 3 HB2 ASP 115 HB2 ASP 115 7.299 1.849 -8.948 4 HB3 ASP 115 HB3 ASP 115 5.874 0.941 -8.449 No H/Q in entry = 4 In of MODEL 16 1 H PHE 116 H PHE 116 5.781 -1.260 -7.478 2 HA PHE 116 HA PHE 116 5.122 -0.881 -4.650 3 HB2 PHE 116 HB2 PHE 116 3.513 -0.998 -6.992 4 HB3 PHE 116 HB3 PHE 116 3.125 -2.414 -6.028 5 HD1 PHE 116 HD1 PHE 116 2.421 -2.088 -3.642 6 HD2 PHE 116 HD2 PHE 116 2.669 1.103 -6.441 7 HE1 PHE 116 HE1 PHE 116 0.895 -0.763 -2.247 8 HE2 PHE 116 HE2 PHE 116 1.142 2.446 -5.043 9 HZ PHE 116 HZ PHE 116 0.245 1.495 -2.950 No H/Q in entry = 9 In of MODEL 16 1 H GLY 117 H GLY 117 6.375 -3.193 -6.837 2 HA2 GLY 117 HA2 GLY 117 7.016 -5.388 -6.573 3 HA3 GLY 117 HA3 GLY 117 5.362 -5.612 -6.040 No H/Q in entry = 3 In of MODEL 16 1 HA PRO 118 HA PRO 118 8.784 -6.424 -2.706 2 HB2 PRO 118 HB2 PRO 118 9.742 -3.678 -2.136 3 HB3 PRO 118 HB3 PRO 118 10.654 -5.183 -2.281 4 HG2 PRO 118 HG2 PRO 118 10.745 -3.345 -4.203 5 HG3 PRO 118 HG3 PRO 118 10.726 -5.076 -4.590 6 HD2 PRO 118 HD2 PRO 118 8.509 -3.074 -4.738 7 HD3 PRO 118 HD3 PRO 118 8.908 -4.402 -5.849 No H/Q in entry = 7 In of MODEL 16 1 H ALA 119 H ALA 119 7.245 -3.241 -2.448 2 HA ALA 119 HA ALA 119 6.721 -3.429 0.346 3 HB1 ALA 119 HB1 ALA 119 5.310 -1.471 0.003 4 HB2 ALA 119 HB2 ALA 119 5.440 -1.677 -1.744 5 HB3 ALA 119 HB3 ALA 119 6.873 -1.282 -0.793 No H/Q in entry = 5 In of MODEL 16 1 H CYS 120 H CYS 120 4.865 -4.190 -2.559 2 HA CYS 120 HA CYS 120 2.461 -4.936 -1.330 3 HB2 CYS 120 HB2 CYS 120 3.818 -5.870 -3.851 4 HB3 CYS 120 HB3 CYS 120 2.264 -6.518 -3.341 No H/Q in entry = 4 In of MODEL 16 1 H LYS 121 H LYS 121 5.546 -6.544 -1.500 2 HA LYS 121 HA LYS 121 4.548 -9.123 -0.867 3 HB2 LYS 121 HB2 LYS 121 7.287 -7.949 -0.860 4 HB3 LYS 121 HB3 LYS 121 6.976 -9.601 -0.324 5 HG2 LYS 121 HG2 LYS 121 5.807 -9.985 -2.504 6 HG3 LYS 121 HG3 LYS 121 6.414 -8.413 -3.024 7 HD2 LYS 121 HD2 LYS 121 8.665 -9.140 -2.814 8 HD3 LYS 121 HD3 LYS 121 8.153 -10.644 -2.042 9 HE2 LYS 121 HE2 LYS 121 7.181 -11.455 -4.039 10 HE3 LYS 121 HE3 LYS 121 7.308 -9.877 -4.821 11 HZ1 LYS 121 HZ1 LYS 121 9.729 -10.102 -4.750 12 HZ2 LYS 121 HZ2 LYS 121 9.576 -11.641 -4.064 13 HZ3 LYS 121 HZ3 LYS 121 9.012 -11.355 -5.639 No H/Q in entry = 13 In of MODEL 16 1 H LYS 122 H LYS 122 5.867 -6.521 1.237 2 HA LYS 122 HA LYS 122 5.373 -8.078 3.592 3 HB2 LYS 122 HB2 LYS 122 5.484 -5.968 4.854 4 HB3 LYS 122 HB3 LYS 122 6.856 -6.167 3.779 5 HG2 LYS 122 HG2 LYS 122 6.037 -4.532 2.282 6 HG3 LYS 122 HG3 LYS 122 4.461 -4.499 3.075 7 HD2 LYS 122 HD2 LYS 122 5.817 -2.551 3.685 8 HD3 LYS 122 HD3 LYS 122 5.472 -3.563 5.087 9 HE2 LYS 122 HE2 LYS 122 7.723 -4.608 4.783 10 HE3 LYS 122 HE3 LYS 122 8.046 -3.416 3.525 11 HZ1 LYS 122 HZ1 LYS 122 7.427 -2.810 6.366 12 HZ2 LYS 122 HZ2 LYS 122 8.959 -2.734 5.655 13 HZ3 LYS 122 HZ3 LYS 122 7.746 -1.664 5.166 No H/Q in entry = 13 In of MODEL 16 1 H ILE 123 H ILE 123 3.450 -6.091 1.485 2 HA ILE 123 HA ILE 123 1.243 -5.718 3.183 3 HB ILE 123 HB ILE 123 1.500 -5.632 0.208 4 HG12 ILE 123 HG12 ILE 123 1.001 -3.495 2.284 5 HG13 ILE 123 HG13 ILE 123 2.587 -3.900 1.637 6 HG21 ILE 123 HG21 ILE 123 -0.946 -4.993 1.850 7 HG22 ILE 123 HG22 ILE 123 -0.743 -4.647 0.134 8 HG23 ILE 123 HG23 ILE 123 -0.783 -6.317 0.697 9 HD11 ILE 123 HD11 ILE 123 0.293 -2.990 -0.051 10 HD12 ILE 123 HD12 ILE 123 1.503 -1.906 0.631 11 HD13 ILE 123 HD13 ILE 123 1.980 -3.153 -0.521 No H/Q in entry = 11 In of MODEL 16 1 H TYR 124 H TYR 124 1.825 -8.017 0.649 2 HA TYR 124 HA TYR 124 -0.346 -9.790 1.302 3 HB2 TYR 124 HB2 TYR 124 1.914 -9.888 -0.682 4 HB3 TYR 124 HB3 TYR 124 0.868 -11.278 -0.406 5 HD1 TYR 124 HD1 TYR 124 -1.767 -10.350 -0.252 6 HD2 TYR 124 HD2 TYR 124 1.389 -8.789 -2.637 7 HE1 TYR 124 HE1 TYR 124 -3.419 -9.434 -1.823 8 HE2 TYR 124 HE2 TYR 124 -0.255 -7.867 -4.216 9 HH TYR 124 HH TYR 124 -3.512 -7.568 -3.505 No H/Q in entry = 9 In of MODEL 16 1 H GLY 125 H GLY 125 1.324 -9.381 3.481 2 HA2 GLY 125 HA2 GLY 125 2.872 -10.368 4.962 3 HA3 GLY 125 HA3 GLY 125 3.843 -9.629 3.723 No H/Q in entry = 3 In of MODEL 16 1 H VAL 126 H VAL 126 3.114 -11.818 1.811 2 HA VAL 126 HA VAL 126 4.171 -14.262 2.402 3 HB VAL 126 HB VAL 126 5.191 -14.252 0.104 4 HG11 VAL 126 HG11 VAL 126 2.358 -13.247 0.316 5 HG12 VAL 126 HG12 VAL 126 3.072 -14.005 -1.112 6 HG13 VAL 126 HG13 VAL 126 2.886 -14.931 0.381 7 HG21 VAL 126 HG21 VAL 126 4.174 -11.413 0.073 8 HG22 VAL 126 HG22 VAL 126 5.859 -11.928 -0.019 9 HG23 VAL 126 HG23 VAL 126 4.750 -12.304 -1.338 No H/Q in entry = 9 In of MODEL 16 1 H HIS 127 H HIS 127 5.848 -11.221 2.380 2 HA HIS 127 HA HIS 127 8.504 -12.139 2.138 3 HB2 HIS 127 HB2 HIS 127 7.930 -9.793 1.815 4 HB3 HIS 127 HB3 HIS 127 7.403 -9.665 3.488 5 HD1 HIS 127 HD1 HIS 127 9.120 -8.941 5.152 6 HD2 HIS 127 HD2 HIS 127 10.822 -10.226 1.579 7 HE1 HIS 127 HE1 HIS 127 11.580 -8.437 5.339 8 HE2 HIS 127 HE2 HIS 127 12.599 -9.341 3.229 No H/Q in entry = 8 In of MODEL 16 1 H THR 128 H THR 128 6.268 -12.264 4.747 2 HA THR 128 HA THR 128 6.405 -12.971 6.903 3 HB THR 128 HB THR 128 9.145 -14.090 6.319 4 HG1 THR 128 HG1 THR 128 8.252 -15.256 4.802 5 HG21 THR 128 HG21 THR 128 8.290 -14.270 8.617 6 HG22 THR 128 HG22 THR 128 6.844 -15.079 8.015 7 HG23 THR 128 HG23 THR 128 8.421 -15.854 7.854 No H/Q in entry = 7 In of MODEL 16 1 H SER 129 H SER 129 6.677 -10.542 7.144 2 HA SER 129 HA SER 129 9.332 -9.675 7.927 3 HB2 SER 129 HB2 SER 129 6.711 -8.163 7.836 4 HB3 SER 129 HB3 SER 129 8.301 -7.455 8.104 5 HG SER 129 HG SER 129 8.060 -7.217 5.982 No H/Q in entry = 5 In of MODEL 17 1 HA2 GLY -4 HA2 GLY -4 -17.914 13.293 -17.685 2 HA3 GLY -4 HA3 GLY -4 -19.248 12.149 -17.614 3 H1 GLY -4 H1 GLY -4 -19.832 14.233 -16.574 4 H2 GLY -4 H2 GLY -4 -18.535 14.095 -15.499 No H/Q in entry = 4 In of MODEL 17 1 H SER -3 H SER -3 -17.576 10.536 -17.959 2 HA SER -3 HA SER -3 -16.550 9.596 -15.395 3 HB2 SER -3 HB2 SER -3 -16.657 8.171 -18.063 4 HB3 SER -3 HB3 SER -3 -16.317 7.441 -16.493 5 HG SER -3 HG SER -3 -18.729 8.829 -17.006 No H/Q in entry = 5 In of MODEL 17 1 HA PRO -2 HA PRO -2 -12.479 10.909 -16.667 2 HB2 PRO -2 HB2 PRO -2 -11.139 10.178 -14.472 3 HB3 PRO -2 HB3 PRO -2 -12.277 11.531 -14.452 4 HG2 PRO -2 HG2 PRO -2 -12.665 8.714 -13.525 5 HG3 PRO -2 HG3 PRO -2 -13.165 10.225 -12.745 6 HD2 PRO -2 HD2 PRO -2 -14.840 8.638 -14.230 7 HD3 PRO -2 HD3 PRO -2 -15.068 10.384 -14.008 No H/Q in entry = 7 In of MODEL 17 1 H GLU -1 H GLU -1 -13.620 8.024 -17.068 2 HA GLU -1 HA GLU -1 -12.939 6.050 -17.904 3 HB2 GLU -1 HB2 GLU -1 -10.381 7.575 -18.381 4 HB3 GLU -1 HB3 GLU -1 -10.668 5.941 -18.964 5 HG2 GLU -1 HG2 GLU -1 -12.329 8.347 -19.674 6 HG3 GLU -1 HG3 GLU -1 -11.054 7.657 -20.678 No H/Q in entry = 6 In of MODEL 17 1 H PHE 0 H PHE 0 -9.732 6.857 -16.668 2 HA PHE 0 HA PHE 0 -9.987 5.136 -14.386 3 HB2 PHE 0 HB2 PHE 0 -9.809 3.497 -16.251 4 HB3 PHE 0 HB3 PHE 0 -8.271 4.220 -16.706 5 HD1 PHE 0 HD1 PHE 0 -10.014 2.137 -14.258 6 HD2 PHE 0 HD2 PHE 0 -6.276 3.812 -15.415 7 HE1 PHE 0 HE1 PHE 0 -8.854 0.601 -12.730 8 HE2 PHE 0 HE2 PHE 0 -5.110 2.277 -13.889 9 HZ PHE 0 HZ PHE 0 -6.398 0.669 -12.543 No H/Q in entry = 9 In of MODEL 17 1 H HIS 1 H HIS 1 -8.898 6.372 -12.964 2 HA HIS 1 HA HIS 1 -6.524 7.809 -13.729 3 HB2 HIS 1 HB2 HIS 1 -7.847 7.339 -11.053 4 HB3 HIS 1 HB3 HIS 1 -6.335 8.226 -11.225 5 HD1 HIS 1 HD1 HIS 1 -9.833 8.806 -10.995 6 HD2 HIS 1 HD2 HIS 1 -6.742 10.478 -13.218 7 HE1 HIS 1 HE1 HIS 1 -10.684 11.044 -11.763 8 HE2 HIS 1 HE2 HIS 1 -8.737 12.103 -12.962 No H/Q in entry = 8 In of MODEL 17 1 H HIS 2 H HIS 2 -4.501 7.101 -13.677 2 HA HIS 2 HA HIS 2 -4.178 4.255 -13.368 3 HB2 HIS 2 HB2 HIS 2 -2.253 6.394 -14.299 4 HB3 HIS 2 HB3 HIS 2 -1.898 4.671 -14.295 5 HD1 HIS 2 HD1 HIS 2 -2.211 3.648 -16.528 6 HD2 HIS 2 HD2 HIS 2 -4.817 6.827 -15.909 7 HE1 HIS 2 HE1 HIS 2 -3.552 3.847 -18.642 8 HE2 HIS 2 HE2 HIS 2 -5.208 5.693 -18.195 No H/Q in entry = 8 In of MODEL 17 1 H PHE 3 H PHE 3 -4.644 4.663 -10.975 2 HA PHE 3 HA PHE 3 -3.946 4.354 -8.852 3 HB2 PHE 3 HB2 PHE 3 -1.285 3.655 -10.103 4 HB3 PHE 3 HB3 PHE 3 -1.856 3.176 -8.506 5 HD1 PHE 3 HD1 PHE 3 -4.387 2.101 -8.722 6 HD2 PHE 3 HD2 PHE 3 -1.282 1.945 -11.625 7 HE1 PHE 3 HE1 PHE 3 -5.401 0.084 -9.693 8 HE2 PHE 3 HE2 PHE 3 -2.291 -0.074 -12.604 9 HZ PHE 3 HZ PHE 3 -4.357 -1.004 -11.637 No H/Q in entry = 9 In of MODEL 17 1 H THR 4 H THR 4 -4.148 6.462 -8.176 2 HA THR 4 HA THR 4 -1.618 7.926 -7.967 3 HB THR 4 HB THR 4 -2.958 10.063 -8.061 4 HG1 THR 4 HG1 THR 4 -4.979 8.266 -8.304 5 HG21 THR 4 HG21 THR 4 -1.578 9.304 -9.937 6 HG22 THR 4 HG22 THR 4 -2.931 8.356 -10.552 7 HG23 THR 4 HG23 THR 4 -3.037 10.116 -10.506 No H/Q in entry = 7 In of MODEL 17 1 H LEU 5 H LEU 5 -1.446 9.295 -6.087 2 HA LEU 5 HA LEU 5 -2.204 7.972 -3.779 3 HB2 LEU 5 HB2 LEU 5 -0.265 9.406 -3.943 4 HB3 LEU 5 HB3 LEU 5 -1.286 10.809 -4.170 5 HG LEU 5 HG LEU 5 -2.186 10.466 -1.875 6 HD11 LEU 5 HD11 LEU 5 -0.005 8.390 -1.712 7 HD12 LEU 5 HD12 LEU 5 -0.942 9.003 -0.350 8 HD13 LEU 5 HD13 LEU 5 -1.741 8.090 -1.629 9 HD21 LEU 5 HD21 LEU 5 -0.367 12.039 -2.382 10 HD22 LEU 5 HD22 LEU 5 -0.246 11.367 -0.758 11 HD23 LEU 5 HD23 LEU 5 0.804 10.768 -2.043 No H/Q in entry = 11 In of MODEL 17 1 H GLU 6 H GLU 6 -3.542 11.051 -5.036 2 HA GLU 6 HA GLU 6 -5.627 11.355 -3.216 3 HB2 GLU 6 HB2 GLU 6 -5.681 11.935 -6.189 4 HB3 GLU 6 HB3 GLU 6 -6.813 12.578 -5.007 5 HG2 GLU 6 HG2 GLU 6 -5.043 13.805 -3.922 6 HG3 GLU 6 HG3 GLU 6 -3.851 13.094 -5.008 No H/Q in entry = 6 In of MODEL 17 1 H SER 7 H SER 7 -5.547 9.235 -6.162 2 HA SER 7 HA SER 7 -8.333 8.855 -6.060 3 HB2 SER 7 HB2 SER 7 -7.995 7.030 -7.689 4 HB3 SER 7 HB3 SER 7 -7.167 8.516 -8.144 5 HG SER 7 HG SER 7 -6.159 6.056 -7.702 No H/Q in entry = 5 In of MODEL 17 1 H SER 8 H SER 8 -6.036 7.599 -3.946 2 HA SER 8 HA SER 8 -7.723 5.289 -3.366 3 HB2 SER 8 HB2 SER 8 -5.044 5.965 -2.169 4 HB3 SER 8 HB3 SER 8 -5.980 4.480 -1.900 5 HG SER 8 HG SER 8 -4.877 5.399 -4.362 No H/Q in entry = 5 In of MODEL 17 1 H LEU 9 H LEU 9 -7.330 8.499 -2.206 2 HA LEU 9 HA LEU 9 -7.002 8.058 0.493 3 HB2 LEU 9 HB2 LEU 9 -8.242 10.390 -0.907 4 HB3 LEU 9 HB3 LEU 9 -7.709 10.389 0.766 5 HG LEU 9 HG LEU 9 -5.879 9.795 -1.549 6 HD11 LEU 9 HD11 LEU 9 -6.370 12.385 -0.114 7 HD12 LEU 9 HD12 LEU 9 -5.102 12.087 -1.306 8 HD13 LEU 9 HD13 LEU 9 -6.798 12.000 -1.781 9 HD21 LEU 9 HD21 LEU 9 -5.346 10.529 1.330 10 HD22 LEU 9 HD22 LEU 9 -5.124 8.936 0.606 11 HD23 LEU 9 HD23 LEU 9 -4.118 10.292 0.086 No H/Q in entry = 11 In of MODEL 17 1 H ASP 10 H ASP 10 -9.987 8.187 -1.227 2 HA ASP 10 HA ASP 10 -11.495 7.891 1.268 3 HB2 ASP 10 HB2 ASP 10 -12.432 8.313 -1.574 4 HB3 ASP 10 HB3 ASP 10 -13.500 8.162 -0.186 No H/Q in entry = 4 In of MODEL 17 1 H THR 11 H THR 11 -9.913 5.919 -0.751 2 HA THR 11 HA THR 11 -11.839 3.757 -0.282 3 HB THR 11 HB THR 11 -10.886 2.636 -2.329 4 HG1 THR 11 HG1 THR 11 -10.025 5.214 -3.120 5 HG21 THR 11 HG21 THR 11 -12.313 5.272 -2.715 6 HG22 THR 11 HG22 THR 11 -12.222 3.977 -3.908 7 HG23 THR 11 HG23 THR 11 -13.070 3.714 -2.386 No H/Q in entry = 7 In of MODEL 17 1 H HIS 12 H HIS 12 -8.750 3.192 -1.730 2 HA HIS 12 HA HIS 12 -8.118 1.178 0.090 3 HB2 HIS 12 HB2 HIS 12 -6.199 2.577 -1.756 4 HB3 HIS 12 HB3 HIS 12 -5.962 1.000 -1.013 5 HD1 HIS 12 HD1 HIS 12 -8.084 -0.741 -1.682 6 HD2 HIS 12 HD2 HIS 12 -7.164 2.387 -4.266 7 HE1 HIS 12 HE1 HIS 12 -9.071 -1.381 -3.907 8 HE2 HIS 12 HE2 HIS 12 -8.693 0.624 -5.379 No H/Q in entry = 8 In of MODEL 17 1 H LEU 13 H LEU 13 -7.246 4.576 0.122 2 HA LEU 13 HA LEU 13 -5.382 4.001 2.334 3 HB2 LEU 13 HB2 LEU 13 -5.323 5.970 0.125 4 HB3 LEU 13 HB3 LEU 13 -4.665 6.470 1.668 5 HG LEU 13 HG LEU 13 -2.864 5.651 0.310 6 HD11 LEU 13 HD11 LEU 13 -2.869 5.075 2.726 7 HD12 LEU 13 HD12 LEU 13 -3.522 3.495 2.303 8 HD13 LEU 13 HD13 LEU 13 -1.928 3.972 1.724 9 HD21 LEU 13 HD21 LEU 13 -4.494 3.137 -0.008 10 HD22 LEU 13 HD22 LEU 13 -4.062 4.289 -1.271 11 HD23 LEU 13 HD23 LEU 13 -2.810 3.319 -0.501 No H/Q in entry = 11 In of MODEL 17 1 H LYS 14 H LYS 14 -8.271 4.375 2.460 2 HA LYS 14 HA LYS 14 -8.862 6.973 3.462 3 HB2 LYS 14 HB2 LYS 14 -11.056 6.203 3.802 4 HB3 LYS 14 HB3 LYS 14 -10.486 5.356 2.377 5 HG2 LYS 14 HG2 LYS 14 -9.962 3.407 3.867 6 HG3 LYS 14 HG3 LYS 14 -10.801 4.265 5.159 7 HD2 LYS 14 HD2 LYS 14 -11.961 3.342 2.533 8 HD3 LYS 14 HD3 LYS 14 -12.326 2.707 4.134 9 HE2 LYS 14 HE2 LYS 14 -12.911 5.517 3.205 10 HE3 LYS 14 HE3 LYS 14 -14.085 4.207 3.265 11 HZ1 LYS 14 HZ1 LYS 14 -13.746 4.084 5.663 12 HZ2 LYS 14 HZ2 LYS 14 -12.654 5.374 5.592 13 HZ3 LYS 14 HZ3 LYS 14 -14.277 5.618 5.194 No H/Q in entry = 13 In of MODEL 17 1 H TRP 15 H TRP 15 -7.467 4.221 4.893 2 HA TRP 15 HA TRP 15 -8.369 4.664 7.581 3 HB2 TRP 15 HB2 TRP 15 -6.645 2.978 8.172 4 HB3 TRP 15 HB3 TRP 15 -7.719 2.426 6.887 5 HD1 TRP 15 HD1 TRP 15 -6.700 2.252 4.426 6 HE1 TRP 15 HE1 TRP 15 -4.280 2.037 3.586 7 HE3 TRP 15 HE3 TRP 15 -4.239 3.660 8.679 8 HZ2 TRP 15 HZ2 TRP 15 -1.664 2.412 4.599 9 HZ3 TRP 15 HZ3 TRP 15 -1.779 3.704 8.661 10 HH2 TRP 15 HH2 TRP 15 -0.518 3.091 6.661 No H/Q in entry = 10 In of MODEL 17 1 H LEU 16 H LEU 16 -6.210 6.285 5.629 2 HA LEU 16 HA LEU 16 -4.368 7.098 7.684 3 HB2 LEU 16 HB2 LEU 16 -4.968 8.201 4.937 4 HB3 LEU 16 HB3 LEU 16 -3.728 8.839 5.991 5 HG LEU 16 HG LEU 16 -3.720 5.979 5.033 6 HD11 LEU 16 HD11 LEU 16 -2.409 8.404 3.823 7 HD12 LEU 16 HD12 LEU 16 -2.065 6.735 3.373 8 HD13 LEU 16 HD13 LEU 16 -3.668 7.411 3.089 9 HD21 LEU 16 HD21 LEU 16 -2.359 6.527 7.029 10 HD22 LEU 16 HD22 LEU 16 -1.376 6.050 5.643 11 HD23 LEU 16 HD23 LEU 16 -1.510 7.754 6.083 No H/Q in entry = 11 In of MODEL 17 1 H SER 17 H SER 17 -4.308 9.095 8.664 2 HA SER 17 HA SER 17 -6.857 10.349 9.103 3 HB2 SER 17 HB2 SER 17 -4.139 11.220 10.096 4 HB3 SER 17 HB3 SER 17 -5.703 11.711 10.741 5 HG SER 17 HG SER 17 -4.247 9.634 11.455 No H/Q in entry = 5 In of MODEL 17 1 H GLN 18 H GLN 18 -7.155 12.738 8.844 2 HA GLN 18 HA GLN 18 -6.715 13.523 6.211 3 HB2 GLN 18 HB2 GLN 18 -8.456 14.518 7.629 4 HB3 GLN 18 HB3 GLN 18 -7.230 15.273 8.631 5 HG2 GLN 18 HG2 GLN 18 -7.367 15.882 5.709 6 HG3 GLN 18 HG3 GLN 18 -8.467 16.668 6.839 7 HE21 GLN 18 HE21 GLN 18 -6.345 17.808 5.191 8 HE22 GLN 18 HE22 GLN 18 -5.272 18.608 6.287 No H/Q in entry = 8 In of MODEL 17 1 H GLU 19 H GLU 19 -4.865 14.261 9.131 2 HA GLU 19 HA GLU 19 -3.116 16.112 8.056 3 HB2 GLU 19 HB2 GLU 19 -3.253 15.983 10.376 4 HB3 GLU 19 HB3 GLU 19 -3.210 14.229 10.380 5 HG2 GLU 19 HG2 GLU 19 -1.187 14.785 11.224 6 HG3 GLU 19 HG3 GLU 19 -0.862 14.501 9.521 No H/Q in entry = 6 In of MODEL 17 1 H GLN 20 H GLN 20 -3.045 12.568 8.172 2 HA GLN 20 HA GLN 20 -0.409 12.305 7.132 3 HB2 GLN 20 HB2 GLN 20 -2.703 10.327 7.086 4 HB3 GLN 20 HB3 GLN 20 -1.017 9.943 6.766 5 HG2 GLN 20 HG2 GLN 20 -0.415 10.507 9.031 6 HG3 GLN 20 HG3 GLN 20 -2.063 11.030 9.369 7 HE21 GLN 20 HE21 GLN 20 0.047 8.328 8.918 8 HE22 GLN 20 HE22 GLN 20 -1.052 7.118 9.482 No H/Q in entry = 8 In of MODEL 17 1 H LYS 21 H LYS 21 -3.656 12.237 5.708 2 HA LYS 21 HA LYS 21 -2.866 11.650 3.066 3 HB2 LYS 21 HB2 LYS 21 -5.258 13.218 4.046 4 HB3 LYS 21 HB3 LYS 21 -5.065 12.577 2.419 5 HG2 LYS 21 HG2 LYS 21 -5.060 10.312 3.281 6 HG3 LYS 21 HG3 LYS 21 -5.169 10.922 4.933 7 HD2 LYS 21 HD2 LYS 21 -7.342 11.895 4.456 8 HD3 LYS 21 HD3 LYS 21 -7.229 11.375 2.774 9 HE2 LYS 21 HE2 LYS 21 -7.233 9.058 3.451 10 HE3 LYS 21 HE3 LYS 21 -7.217 9.524 5.153 11 HZ1 LYS 21 HZ1 LYS 21 -9.384 10.621 4.762 12 HZ2 LYS 21 HZ2 LYS 21 -9.401 9.982 3.198 13 HZ3 LYS 21 HZ3 LYS 21 -9.431 8.949 4.536 No H/Q in entry = 13 In of MODEL 17 1 H ASP 22 H ASP 22 -3.469 14.708 4.702 2 HA ASP 22 HA ASP 22 -2.845 16.435 2.555 3 HB2 ASP 22 HB2 ASP 22 -4.088 17.107 4.583 4 HB3 ASP 22 HB3 ASP 22 -2.627 16.903 5.536 No H/Q in entry = 4 In of MODEL 17 1 H GLU 23 H GLU 23 -0.812 14.879 5.021 2 HA GLU 23 HA GLU 23 1.543 16.302 4.296 3 HB2 GLU 23 HB2 GLU 23 1.878 15.443 6.354 4 HB3 GLU 23 HB3 GLU 23 0.777 14.100 6.086 5 HG2 GLU 23 HG2 GLU 23 2.442 12.889 4.910 6 HG3 GLU 23 HG3 GLU 23 3.550 14.259 4.967 No H/Q in entry = 6 In of MODEL 17 1 H LEU 24 H LEU 24 0.222 13.099 3.382 2 HA LEU 24 HA LEU 24 2.439 12.400 1.763 3 HB2 LEU 24 HB2 LEU 24 -0.433 11.475 1.599 4 HB3 LEU 24 HB3 LEU 24 0.926 10.710 0.796 5 HG LEU 24 HG LEU 24 0.780 10.968 3.784 6 HD11 LEU 24 HD11 LEU 24 -1.185 9.766 3.011 7 HD12 LEU 24 HD12 LEU 24 -0.145 8.663 2.114 8 HD13 LEU 24 HD13 LEU 24 -0.060 8.717 3.876 9 HD21 LEU 24 HD21 LEU 24 2.344 9.160 1.963 10 HD22 LEU 24 HD22 LEU 24 2.988 10.503 2.910 11 HD23 LEU 24 HD23 LEU 24 2.334 9.079 3.726 No H/Q in entry = 11 In of MODEL 17 1 H LEU 25 H LEU 25 -0.609 14.077 1.106 2 HA LEU 25 HA LEU 25 -0.301 14.333 -1.676 3 HB2 LEU 25 HB2 LEU 25 -1.717 16.068 0.343 4 HB3 LEU 25 HB3 LEU 25 -1.777 16.365 -1.380 5 HG LEU 25 HG LEU 25 -2.789 13.883 0.006 6 HD11 LEU 25 HD11 LEU 25 -4.265 16.174 -1.280 7 HD12 LEU 25 HD12 LEU 25 -4.999 14.708 -0.629 8 HD13 LEU 25 HD13 LEU 25 -4.173 15.833 0.449 9 HD21 LEU 25 HD21 LEU 25 -2.867 14.715 -2.891 10 HD22 LEU 25 HD22 LEU 25 -1.972 13.359 -2.208 11 HD23 LEU 25 HD23 LEU 25 -3.734 13.341 -2.206 No H/Q in entry = 11 In of MODEL 17 1 H LYS 26 H LYS 26 0.919 16.204 1.022 2 HA LYS 26 HA LYS 26 2.014 18.329 -0.527 3 HB2 LYS 26 HB2 LYS 26 1.559 18.079 2.083 4 HB3 LYS 26 HB3 LYS 26 3.223 17.521 2.086 5 HG2 LYS 26 HG2 LYS 26 2.478 20.111 0.786 6 HG3 LYS 26 HG3 LYS 26 2.734 20.009 2.524 7 HD2 LYS 26 HD2 LYS 26 4.756 19.144 0.462 8 HD3 LYS 26 HD3 LYS 26 4.740 20.733 1.230 9 HE2 LYS 26 HE2 LYS 26 4.846 19.523 3.445 10 HE3 LYS 26 HE3 LYS 26 5.163 18.052 2.528 11 HZ1 LYS 26 HZ1 LYS 26 6.820 20.512 2.465 12 HZ2 LYS 26 HZ2 LYS 26 7.205 19.086 3.289 13 HZ3 LYS 26 HZ3 LYS 26 7.131 19.097 1.598 No H/Q in entry = 13 In of MODEL 17 1 H MET 27 H MET 27 3.334 15.312 0.804 2 HA MET 27 HA MET 27 5.875 15.494 -0.185 3 HB2 MET 27 HB2 MET 27 4.139 13.030 0.034 4 HB3 MET 27 HB3 MET 27 5.876 12.992 -0.231 5 HG2 MET 27 HG2 MET 27 6.241 14.084 1.909 6 HG3 MET 27 HG3 MET 27 4.500 14.172 2.170 7 HE1 MET 27 HE1 MET 27 7.518 11.787 1.555 8 HE2 MET 27 HE2 MET 27 6.837 10.201 1.918 9 HE3 MET 27 HE3 MET 27 6.309 11.084 0.486 No H/Q in entry = 9 In of MODEL 17 1 H LYS 28 H LYS 28 3.098 13.967 -1.844 2 HA LYS 28 HA LYS 28 4.403 13.271 -4.210 3 HB2 LYS 28 HB2 LYS 28 2.190 12.431 -3.548 4 HB3 LYS 28 HB3 LYS 28 1.506 14.032 -3.770 5 HG2 LYS 28 HG2 LYS 28 0.902 12.792 -5.672 6 HG3 LYS 28 HG3 LYS 28 2.200 13.868 -6.185 7 HD2 LYS 28 HD2 LYS 28 2.605 11.711 -7.139 8 HD3 LYS 28 HD3 LYS 28 3.795 11.975 -5.864 9 HE2 LYS 28 HE2 LYS 28 2.534 10.585 -4.343 10 HE3 LYS 28 HE3 LYS 28 1.241 10.407 -5.525 11 HZ1 LYS 28 HZ1 LYS 28 2.780 9.245 -6.979 12 HZ2 LYS 28 HZ2 LYS 28 4.018 9.412 -5.840 13 HZ3 LYS 28 HZ3 LYS 28 2.667 8.465 -5.485 No H/Q in entry = 13 In of MODEL 17 1 H LYS 29 H LYS 29 2.680 16.234 -3.345 2 HA LYS 29 HA LYS 29 3.034 17.445 -5.890 3 HB2 LYS 29 HB2 LYS 29 2.244 18.612 -3.225 4 HB3 LYS 29 HB3 LYS 29 2.228 19.513 -4.732 5 HG2 LYS 29 HG2 LYS 29 0.572 18.019 -5.657 6 HG3 LYS 29 HG3 LYS 29 0.645 17.005 -4.216 7 HD2 LYS 29 HD2 LYS 29 -0.167 18.889 -2.866 8 HD3 LYS 29 HD3 LYS 29 -0.266 19.880 -4.324 9 HE2 LYS 29 HE2 LYS 29 -1.892 18.336 -5.271 10 HE3 LYS 29 HE3 LYS 29 -1.783 17.319 -3.835 11 HZ1 LYS 29 HZ1 LYS 29 -2.645 19.157 -2.524 12 HZ2 LYS 29 HZ2 LYS 29 -2.750 20.127 -3.907 13 HZ3 LYS 29 HZ3 LYS 29 -3.722 18.750 -3.761 No H/Q in entry = 13 In of MODEL 17 1 H ASP 30 H ASP 30 5.100 17.202 -3.154 2 HA ASP 30 HA ASP 30 6.671 19.502 -4.016 3 HB2 ASP 30 HB2 ASP 30 6.289 19.169 -1.589 4 HB3 ASP 30 HB3 ASP 30 7.125 17.624 -1.679 No H/Q in entry = 4 In of MODEL 17 1 H GLY 31 H GLY 31 6.404 16.336 -4.798 2 HA2 GLY 31 HA2 GLY 31 8.901 16.536 -6.277 3 HA3 GLY 31 HA3 GLY 31 7.575 15.433 -6.611 No H/Q in entry = 3 In of MODEL 17 1 H LYS 32 H LYS 32 7.575 14.756 -3.641 2 HA LYS 32 HA LYS 32 9.928 13.239 -3.215 3 HB2 LYS 32 HB2 LYS 32 7.123 12.958 -2.123 4 HB3 LYS 32 HB3 LYS 32 8.465 11.946 -1.609 5 HG2 LYS 32 HG2 LYS 32 8.341 14.944 -1.338 6 HG3 LYS 32 HG3 LYS 32 8.028 13.781 -0.048 7 HD2 LYS 32 HD2 LYS 32 10.314 12.924 -0.275 8 HD3 LYS 32 HD3 LYS 32 10.622 14.097 -1.556 9 HE2 LYS 32 HE2 LYS 32 10.192 15.919 0.034 10 HE3 LYS 32 HE3 LYS 32 9.935 14.730 1.309 11 HZ1 LYS 32 HZ1 LYS 32 12.457 15.034 -0.221 12 HZ2 LYS 32 HZ2 LYS 32 12.181 15.692 1.311 13 HZ3 LYS 32 HZ3 LYS 32 12.199 14.015 1.105 No H/Q in entry = 13 In of MODEL 17 1 H ALA 33 H ALA 33 10.328 11.125 -3.709 2 HA ALA 33 HA ALA 33 9.169 10.175 -6.149 3 HB1 ALA 33 HB1 ALA 33 11.544 9.837 -5.638 4 HB2 ALA 33 HB2 ALA 33 11.101 8.785 -4.291 5 HB3 ALA 33 HB3 ALA 33 10.723 8.308 -5.946 No H/Q in entry = 5 In of MODEL 17 1 H LYS 34 H LYS 34 8.104 8.081 -6.449 2 HA LYS 34 HA LYS 34 5.975 7.655 -4.688 3 HB2 LYS 34 HB2 LYS 34 7.200 5.723 -6.673 4 HB3 LYS 34 HB3 LYS 34 5.692 5.431 -5.825 5 HG2 LYS 34 HG2 LYS 34 5.054 6.193 -7.933 6 HG3 LYS 34 HG3 LYS 34 4.870 7.598 -6.884 7 HD2 LYS 34 HD2 LYS 34 7.007 8.470 -7.654 8 HD3 LYS 34 HD3 LYS 34 7.243 7.044 -8.663 9 HE2 LYS 34 HE2 LYS 34 5.260 7.637 -9.959 10 HE3 LYS 34 HE3 LYS 34 5.018 9.058 -8.944 11 HZ1 LYS 34 HZ1 LYS 34 7.213 9.853 -9.680 12 HZ2 LYS 34 HZ2 LYS 34 7.326 8.536 -10.732 13 HZ3 LYS 34 HZ3 LYS 34 6.120 9.696 -10.958 No H/Q in entry = 13 In of MODEL 17 1 H LYS 35 H LYS 35 9.165 6.220 -4.857 2 HA LYS 35 HA LYS 35 8.879 4.144 -3.021 3 HB2 LYS 35 HB2 LYS 35 11.325 5.883 -3.373 4 HB3 LYS 35 HB3 LYS 35 11.284 4.245 -2.740 5 HG2 LYS 35 HG2 LYS 35 10.619 5.070 -5.557 6 HG3 LYS 35 HG3 LYS 35 12.105 4.291 -5.025 7 HD2 LYS 35 HD2 LYS 35 9.346 3.091 -4.803 8 HD3 LYS 35 HD3 LYS 35 10.509 2.722 -6.077 9 HE2 LYS 35 HE2 LYS 35 12.091 1.935 -4.342 10 HE3 LYS 35 HE3 LYS 35 10.850 2.218 -3.125 11 HZ1 LYS 35 HZ1 LYS 35 9.434 0.608 -4.258 12 HZ2 LYS 35 HZ2 LYS 35 10.652 0.319 -5.404 13 HZ3 LYS 35 HZ3 LYS 35 10.897 -0.091 -3.779 No H/Q in entry = 13 In of MODEL 17 1 H GLU 36 H GLU 36 8.891 7.574 -2.454 2 HA GLU 36 HA GLU 36 9.708 7.273 0.325 3 HB2 GLU 36 HB2 GLU 36 9.013 9.798 -1.164 4 HB3 GLU 36 HB3 GLU 36 9.853 9.668 0.378 5 HG2 GLU 36 HG2 GLU 36 11.646 8.400 -0.819 6 HG3 GLU 36 HG3 GLU 36 10.840 8.821 -2.316 No H/Q in entry = 6 In of MODEL 17 1 H LEU 37 H LEU 37 6.945 8.111 -1.653 2 HA LEU 37 HA LEU 37 5.076 8.491 0.401 3 HB2 LEU 37 HB2 LEU 37 4.901 7.431 -2.413 4 HB3 LEU 37 HB3 LEU 37 3.487 7.675 -1.409 5 HG LEU 37 HG LEU 37 3.964 9.468 -3.059 6 HD11 LEU 37 HD11 LEU 37 2.534 9.840 -1.130 7 HD12 LEU 37 HD12 LEU 37 3.950 10.273 -0.170 8 HD13 LEU 37 HD13 LEU 37 3.452 11.296 -1.518 9 HD21 LEU 37 HD21 LEU 37 6.273 10.091 -1.265 10 HD22 LEU 37 HD22 LEU 37 6.340 9.643 -2.968 11 HD23 LEU 37 HD23 LEU 37 5.621 11.183 -2.491 No H/Q in entry = 11 In of MODEL 17 1 H GLU 38 H GLU 38 6.171 5.666 -1.367 2 HA GLU 38 HA GLU 38 4.569 3.740 -0.068 3 HB2 GLU 38 HB2 GLU 38 5.972 3.649 -2.275 4 HB3 GLU 38 HB3 GLU 38 7.272 3.118 -1.216 5 HG2 GLU 38 HG2 GLU 38 6.223 1.192 -2.136 6 HG3 GLU 38 HG3 GLU 38 5.791 1.284 -0.427 No H/Q in entry = 6 In of MODEL 17 1 H ALA 39 H ALA 39 7.265 5.513 0.941 2 HA ALA 39 HA ALA 39 8.118 3.548 2.912 3 HB1 ALA 39 HB1 ALA 39 9.188 6.314 2.366 4 HB2 ALA 39 HB2 ALA 39 9.906 5.109 3.435 5 HB3 ALA 39 HB3 ALA 39 9.825 4.810 1.699 No H/Q in entry = 5 In of MODEL 17 1 H LYS 40 H LYS 40 6.658 6.750 2.812 2 HA LYS 40 HA LYS 40 6.606 7.182 5.595 3 HB2 LYS 40 HB2 LYS 40 6.342 8.892 3.736 4 HB3 LYS 40 HB3 LYS 40 4.706 8.300 3.529 5 HG2 LYS 40 HG2 LYS 40 4.693 10.304 4.850 6 HG3 LYS 40 HG3 LYS 40 4.190 8.932 5.834 7 HD2 LYS 40 HD2 LYS 40 5.647 10.211 7.181 8 HD3 LYS 40 HD3 LYS 40 6.570 8.810 6.665 9 HE2 LYS 40 HE2 LYS 40 6.707 11.404 5.168 10 HE3 LYS 40 HE3 LYS 40 7.695 11.125 6.599 11 HZ1 LYS 40 HZ1 LYS 40 8.531 9.083 5.438 12 HZ2 LYS 40 HZ2 LYS 40 7.760 9.636 4.037 13 HZ3 LYS 40 HZ3 LYS 40 8.992 10.549 4.738 No H/Q in entry = 13 In of MODEL 17 1 H ILE 41 H ILE 41 4.244 5.882 3.320 2 HA ILE 41 HA ILE 41 2.163 5.595 5.229 3 HB ILE 41 HB ILE 41 2.550 4.364 2.497 4 HG12 ILE 41 HG12 ILE 41 0.820 6.686 3.349 5 HG13 ILE 41 HG13 ILE 41 2.461 6.886 2.751 6 HG21 ILE 41 HG21 ILE 41 0.967 3.063 3.830 7 HG22 ILE 41 HG22 ILE 41 0.062 4.532 4.193 8 HG23 ILE 41 HG23 ILE 41 0.146 3.934 2.537 9 HD11 ILE 41 HD11 ILE 41 1.805 5.885 0.626 10 HD12 ILE 41 HD12 ILE 41 0.154 5.705 1.230 11 HD13 ILE 41 HD13 ILE 41 0.846 7.318 1.022 No H/Q in entry = 11 In of MODEL 17 1 H LEU 42 H LEU 42 4.619 3.386 3.916 2 HA LEU 42 HA LEU 42 3.703 1.049 5.171 3 HB2 LEU 42 HB2 LEU 42 6.419 1.930 4.271 4 HB3 LEU 42 HB3 LEU 42 6.200 0.408 5.102 5 HG LEU 42 HG LEU 42 5.099 1.217 2.424 6 HD11 LEU 42 HD11 LEU 42 7.413 0.472 2.484 7 HD12 LEU 42 HD12 LEU 42 6.917 -1.013 3.294 8 HD13 LEU 42 HD13 LEU 42 6.386 -0.689 1.646 9 HD21 LEU 42 HD21 LEU 42 4.429 -1.182 4.123 10 HD22 LEU 42 HD22 LEU 42 3.316 0.009 3.454 11 HD23 LEU 42 HD23 LEU 42 4.153 -1.119 2.383 No H/Q in entry = 11 In of MODEL 17 1 H HIS 43 H HIS 43 5.703 3.690 6.338 2 HA HIS 43 HA HIS 43 6.401 2.539 8.819 3 HB2 HIS 43 HB2 HIS 43 7.500 4.576 7.979 4 HB3 HIS 43 HB3 HIS 43 5.985 5.461 8.122 5 HD1 HIS 43 HD1 HIS 43 8.652 3.851 10.262 6 HD2 HIS 43 HD2 HIS 43 5.432 6.458 10.631 7 HE1 HIS 43 HE1 HIS 43 8.765 4.741 12.609 8 HE2 HIS 43 HE2 HIS 43 6.815 6.324 12.813 No H/Q in entry = 8 In of MODEL 17 1 H TYR 44 H TYR 44 3.670 4.658 7.893 2 HA TYR 44 HA TYR 44 2.473 4.739 10.441 3 HB2 TYR 44 HB2 TYR 44 1.214 5.001 7.699 4 HB3 TYR 44 HB3 TYR 44 0.437 5.450 9.211 5 HD1 TYR 44 HD1 TYR 44 2.975 6.566 10.505 6 HD2 TYR 44 HD2 TYR 44 1.178 7.195 6.704 7 HE1 TYR 44 HE1 TYR 44 4.029 8.758 10.387 8 HE2 TYR 44 HE2 TYR 44 2.232 9.411 6.565 9 HH TYR 44 HH TYR 44 3.206 11.114 8.049 No H/Q in entry = 9 In of MODEL 17 1 H TYR 45 H TYR 45 2.127 2.621 7.707 2 HA TYR 45 HA TYR 45 0.081 0.947 8.520 3 HB2 TYR 45 HB2 TYR 45 0.957 0.934 6.284 4 HB3 TYR 45 HB3 TYR 45 2.564 0.524 6.859 5 HD1 TYR 45 HD1 TYR 45 -0.897 -0.876 6.864 6 HD2 TYR 45 HD2 TYR 45 3.282 -1.585 6.651 7 HE1 TYR 45 HE1 TYR 45 -1.330 -3.253 6.415 8 HE2 TYR 45 HE2 TYR 45 2.871 -3.956 6.204 9 HH TYR 45 HH TYR 45 -0.156 -5.167 5.351 No H/Q in entry = 9 In of MODEL 17 1 H ASP 46 H ASP 46 3.574 0.715 9.142 2 HA ASP 46 HA ASP 46 3.286 -1.741 10.579 3 HB2 ASP 46 HB2 ASP 46 5.480 -0.072 9.643 4 HB3 ASP 46 HB3 ASP 46 5.783 -0.726 11.249 No H/Q in entry = 4 In of MODEL 17 1 H GLU 47 H GLU 47 2.908 1.530 11.474 2 HA GLU 47 HA GLU 47 3.541 1.059 14.275 3 HB2 GLU 47 HB2 GLU 47 2.511 3.507 12.831 4 HB3 GLU 47 HB3 GLU 47 2.934 3.451 14.532 5 HG2 GLU 47 HG2 GLU 47 4.870 2.893 12.306 6 HG3 GLU 47 HG3 GLU 47 4.647 4.474 13.046 No H/Q in entry = 6 In of MODEL 17 1 H LEU 48 H LEU 48 1.062 0.142 12.436 2 HA LEU 48 HA LEU 48 -1.192 1.339 13.659 3 HB2 LEU 48 HB2 LEU 48 -0.794 -1.018 11.844 4 HB3 LEU 48 HB3 LEU 48 -2.380 -0.540 12.395 5 HG LEU 48 HG LEU 48 -0.507 1.186 10.797 6 HD11 LEU 48 HD11 LEU 48 -1.455 -0.654 9.504 7 HD12 LEU 48 HD12 LEU 48 -3.073 -0.189 10.030 8 HD13 LEU 48 HD13 LEU 48 -2.134 0.896 9.009 9 HD21 LEU 48 HD21 LEU 48 -3.267 1.646 11.890 10 HD22 LEU 48 HD22 LEU 48 -1.805 2.574 12.220 11 HD23 LEU 48 HD23 LEU 48 -2.545 2.636 10.619 No H/Q in entry = 11 In of MODEL 17 1 H GLU 49 H GLU 49 -2.819 -0.904 13.939 2 HA GLU 49 HA GLU 49 -2.037 -1.780 16.632 3 HB2 GLU 49 HB2 GLU 49 -4.770 -0.731 15.847 4 HB3 GLU 49 HB3 GLU 49 -4.303 -1.312 17.438 5 HG2 GLU 49 HG2 GLU 49 -3.038 1.061 16.094 6 HG3 GLU 49 HG3 GLU 49 -4.410 1.172 17.194 No H/Q in entry = 6 In of MODEL 17 1 H GLY 50 H GLY 50 -4.085 -3.377 17.328 2 HA2 GLY 50 HA2 GLY 50 -5.012 -5.451 16.981 3 HA3 GLY 50 HA3 GLY 50 -3.602 -5.737 15.982 No H/Q in entry = 3 In of MODEL 17 1 H ASP 51 H ASP 51 -6.788 -4.151 15.817 2 HA ASP 51 HA ASP 51 -7.350 -5.600 13.357 3 HB2 ASP 51 HB2 ASP 51 -9.066 -3.586 14.833 4 HB3 ASP 51 HB3 ASP 51 -9.591 -4.652 13.534 No H/Q in entry = 4 In of MODEL 17 1 H ALA 52 H ALA 52 -6.356 -2.422 14.339 2 HA ALA 52 HA ALA 52 -7.101 -0.962 12.040 3 HB1 ALA 52 HB1 ALA 52 -4.653 -0.568 13.768 4 HB2 ALA 52 HB2 ALA 52 -5.354 0.616 12.665 5 HB3 ALA 52 HB3 ALA 52 -6.252 0.100 14.093 No H/Q in entry = 5 In of MODEL 17 1 H LYS 53 H LYS 53 -4.207 -2.846 12.784 2 HA LYS 53 HA LYS 53 -2.832 -2.248 10.376 3 HB2 LYS 53 HB2 LYS 53 -1.981 -3.238 12.656 4 HB3 LYS 53 HB3 LYS 53 -2.400 -4.780 11.934 5 HG2 LYS 53 HG2 LYS 53 -0.582 -2.851 10.538 6 HG3 LYS 53 HG3 LYS 53 0.020 -3.959 11.770 7 HD2 LYS 53 HD2 LYS 53 -0.964 -5.836 10.434 8 HD3 LYS 53 HD3 LYS 53 -1.319 -4.661 9.166 9 HE2 LYS 53 HE2 LYS 53 1.039 -4.128 8.964 10 HE3 LYS 53 HE3 LYS 53 1.425 -5.221 10.288 11 HZ1 LYS 53 HZ1 LYS 53 0.465 -7.031 8.882 12 HZ2 LYS 53 HZ2 LYS 53 0.407 -5.931 7.595 13 HZ3 LYS 53 HZ3 LYS 53 1.895 -6.354 8.291 No H/Q in entry = 13 In of MODEL 17 1 H LYS 54 H LYS 54 -4.750 -5.010 11.481 2 HA LYS 54 HA LYS 54 -4.711 -6.547 9.172 3 HB2 LYS 54 HB2 LYS 54 -5.909 -7.837 10.515 4 HB3 LYS 54 HB3 LYS 54 -6.146 -6.496 11.622 5 HG2 LYS 54 HG2 LYS 54 -8.205 -5.972 10.770 6 HG3 LYS 54 HG3 LYS 54 -7.876 -6.723 9.205 7 HD2 LYS 54 HD2 LYS 54 -7.805 -8.926 10.443 8 HD3 LYS 54 HD3 LYS 54 -8.470 -8.066 11.834 9 HE2 LYS 54 HE2 LYS 54 -10.261 -9.129 10.611 10 HE3 LYS 54 HE3 LYS 54 -10.391 -7.377 10.444 11 HZ1 LYS 54 HZ1 LYS 54 -9.157 -9.173 8.425 12 HZ2 LYS 54 HZ2 LYS 54 -10.738 -8.583 8.343 13 HZ3 LYS 54 HZ3 LYS 54 -9.435 -7.512 8.260 No H/Q in entry = 13 In of MODEL 17 1 H GLU 55 H GLU 55 -6.939 -3.897 10.046 2 HA GLU 55 HA GLU 55 -8.519 -4.146 7.729 3 HB2 GLU 55 HB2 GLU 55 -8.137 -2.040 9.829 4 HB3 GLU 55 HB3 GLU 55 -9.114 -1.689 8.422 5 HG2 GLU 55 HG2 GLU 55 -10.397 -3.825 9.015 6 HG3 GLU 55 HG3 GLU 55 -9.584 -3.712 10.574 No H/Q in entry = 6 In of MODEL 17 1 H ALA 56 H ALA 56 -5.829 -1.952 8.562 2 HA ALA 56 HA ALA 56 -5.850 -0.615 6.116 3 HB1 ALA 56 HB1 ALA 56 -3.548 0.039 6.603 4 HB2 ALA 56 HB2 ALA 56 -3.457 -1.190 7.864 5 HB3 ALA 56 HB3 ALA 56 -4.556 0.177 8.043 No H/Q in entry = 5 In of MODEL 17 1 H THR 57 H THR 57 -3.999 -3.476 7.141 2 HA THR 57 HA THR 57 -2.575 -3.943 4.833 3 HB THR 57 HB THR 57 -3.802 -6.074 6.589 4 HG1 THR 57 HG1 THR 57 -2.567 -4.749 7.878 5 HG21 THR 57 HG21 THR 57 -1.455 -6.093 4.693 6 HG22 THR 57 HG22 THR 57 -1.821 -7.386 5.841 7 HG23 THR 57 HG23 THR 57 -2.955 -7.007 4.544 No H/Q in entry = 7 In of MODEL 17 1 H GLU 58 H GLU 58 -5.840 -4.985 5.648 2 HA GLU 58 HA GLU 58 -6.378 -6.402 3.263 3 HB2 GLU 58 HB2 GLU 58 -8.157 -5.104 5.323 4 HB3 GLU 58 HB3 GLU 58 -8.802 -5.969 3.931 5 HG2 GLU 58 HG2 GLU 58 -7.133 -7.056 6.177 6 HG3 GLU 58 HG3 GLU 58 -8.806 -7.445 5.786 No H/Q in entry = 6 In of MODEL 17 1 H HIS 59 H HIS 59 -6.509 -2.971 4.039 2 HA HIS 59 HA HIS 59 -8.033 -2.300 1.687 3 HB2 HIS 59 HB2 HIS 59 -6.509 -0.637 3.687 4 HB3 HIS 59 HB3 HIS 59 -7.208 0.070 2.237 5 HD1 HIS 59 HD1 HIS 59 -9.965 -0.913 2.081 6 HD2 HIS 59 HD2 HIS 59 -8.157 -0.144 5.746 7 HE1 HIS 59 HE1 HIS 59 -11.849 -0.542 3.702 8 HE2 HIS 59 HE2 HIS 59 -10.734 0.038 5.887 No H/Q in entry = 8 In of MODEL 17 1 H LEU 60 H LEU 60 -4.639 -1.855 2.684 2 HA LEU 60 HA LEU 60 -3.581 -1.106 0.266 3 HB2 LEU 60 HB2 LEU 60 -2.485 -2.640 2.589 4 HB3 LEU 60 HB3 LEU 60 -1.503 -2.349 1.166 5 HG LEU 60 HG LEU 60 -1.969 0.076 1.467 6 HD11 LEU 60 HD11 LEU 60 -3.936 -0.066 2.789 7 HD12 LEU 60 HD12 LEU 60 -3.015 -0.777 4.119 8 HD13 LEU 60 HD13 LEU 60 -2.696 0.883 3.610 9 HD21 LEU 60 HD21 LEU 60 -0.511 -1.334 3.685 10 HD22 LEU 60 HD22 LEU 60 0.161 -0.867 2.123 11 HD23 LEU 60 HD23 LEU 60 -0.332 0.373 3.275 No H/Q in entry = 11 In of MODEL 17 1 H LYS 61 H LYS 61 -4.519 -4.281 1.420 2 HA LYS 61 HA LYS 61 -3.167 -5.773 -0.581 3 HB2 LYS 61 HB2 LYS 61 -4.221 -6.482 1.729 4 HB3 LYS 61 HB3 LYS 61 -5.650 -6.772 0.753 5 HG2 LYS 61 HG2 LYS 61 -4.438 -8.353 -0.615 6 HG3 LYS 61 HG3 LYS 61 -2.949 -8.006 0.270 7 HD2 LYS 61 HD2 LYS 61 -5.453 -9.113 1.520 8 HD3 LYS 61 HD3 LYS 61 -4.085 -10.098 1.002 9 HE2 LYS 61 HE2 LYS 61 -2.635 -8.945 2.568 10 HE3 LYS 61 HE3 LYS 61 -3.954 -7.877 3.039 11 HZ1 LYS 61 HZ1 LYS 61 -4.007 -10.817 3.399 12 HZ2 LYS 61 HZ2 LYS 61 -3.540 -9.729 4.604 13 HZ3 LYS 61 HZ3 LYS 61 -5.124 -9.692 4.002 No H/Q in entry = 13 In of MODEL 17 1 H GLY 62 H GLY 62 -6.582 -4.806 -0.170 2 HA2 GLY 62 HA2 GLY 62 -8.171 -4.279 -1.739 3 HA3 GLY 62 HA3 GLY 62 -7.491 -5.588 -2.699 No H/Q in entry = 3 In of MODEL 17 1 H GLY 63 H GLY 63 -5.830 -2.651 -1.648 2 HA2 GLY 63 HA2 GLY 63 -4.646 -1.101 -2.851 3 HA3 GLY 63 HA3 GLY 63 -5.880 -1.267 -4.092 No H/Q in entry = 3 In of MODEL 17 1 H CYS 64 H CYS 64 -3.536 -3.596 -2.815 2 HA CYS 64 HA CYS 64 -1.853 -3.655 -5.073 3 HB2 CYS 64 HB2 CYS 64 -1.256 -4.574 -2.843 4 HB3 CYS 64 HB3 CYS 64 -2.430 -5.863 -3.085 No H/Q in entry = 4 In of MODEL 17 1 H ARG 65 H ARG 65 -4.794 -5.334 -4.227 2 HA ARG 65 HA ARG 65 -4.902 -7.157 -6.364 3 HB2 ARG 65 HB2 ARG 65 -6.305 -7.322 -4.365 4 HB3 ARG 65 HB3 ARG 65 -7.120 -5.828 -4.797 5 HG2 ARG 65 HG2 ARG 65 -8.035 -6.909 -6.789 6 HG3 ARG 65 HG3 ARG 65 -7.219 -8.409 -6.341 7 HD2 ARG 65 HD2 ARG 65 -8.492 -8.519 -4.281 8 HD3 ARG 65 HD3 ARG 65 -9.263 -6.978 -4.649 9 HE ARG 65 HE ARG 65 -9.822 -8.606 -6.790 10 HH11 ARG 65 HH11 ARG 65 -10.383 -8.661 -3.345 11 HH12 ARG 65 HH12 ARG 65 -11.846 -9.585 -3.462 12 HH21 ARG 65 HH21 ARG 65 -11.760 -9.820 -6.964 13 HH22 ARG 65 HH22 ARG 65 -12.630 -10.249 -5.525 No H/Q in entry = 13 In of MODEL 17 1 H GLU 66 H GLU 66 -5.360 -3.751 -6.214 2 HA GLU 66 HA GLU 66 -6.738 -3.635 -8.772 3 HB2 GLU 66 HB2 GLU 66 -5.785 -1.490 -6.871 4 HB3 GLU 66 HB3 GLU 66 -6.513 -1.140 -8.430 5 HG2 GLU 66 HG2 GLU 66 -7.854 -2.685 -6.232 6 HG3 GLU 66 HG3 GLU 66 -8.075 -0.965 -6.531 No H/Q in entry = 6 In of MODEL 17 1 H ILE 67 H ILE 67 -3.595 -2.879 -7.339 2 HA ILE 67 HA ILE 67 -2.575 -1.905 -9.853 3 HB ILE 67 HB ILE 67 -1.119 -2.421 -7.260 4 HG12 ILE 67 HG12 ILE 67 -2.012 0.195 -8.490 5 HG13 ILE 67 HG13 ILE 67 -2.853 -0.629 -7.182 6 HG21 ILE 67 HG21 ILE 67 0.361 -2.559 -9.230 7 HG22 ILE 67 HG22 ILE 67 -0.183 -0.951 -9.727 8 HG23 ILE 67 HG23 ILE 67 0.721 -1.146 -8.226 9 HD11 ILE 67 HD11 ILE 67 -0.043 0.442 -7.073 10 HD12 ILE 67 HD12 ILE 67 -1.470 1.180 -6.343 11 HD13 ILE 67 HD13 ILE 67 -0.888 -0.382 -5.761 No H/Q in entry = 11 In of MODEL 17 1 H LEU 68 H LEU 68 -1.346 -4.414 -7.643 2 HA LEU 68 HA LEU 68 0.506 -5.322 -9.561 3 HB2 LEU 68 HB2 LEU 68 0.684 -5.526 -7.048 4 HB3 LEU 68 HB3 LEU 68 -0.452 -6.857 -7.154 5 HG LEU 68 HG LEU 68 1.225 -7.929 -8.778 6 HD11 LEU 68 HD11 LEU 68 2.992 -5.847 -7.497 7 HD12 LEU 68 HD12 LEU 68 3.554 -7.218 -8.451 8 HD13 LEU 68 HD13 LEU 68 2.574 -5.962 -9.205 9 HD21 LEU 68 HD21 LEU 68 1.963 -7.568 -5.873 10 HD22 LEU 68 HD22 LEU 68 0.830 -8.754 -6.519 11 HD23 LEU 68 HD23 LEU 68 2.541 -8.854 -6.932 No H/Q in entry = 11 In of MODEL 17 1 H LYS 69 H LYS 69 -2.518 -6.724 -8.342 2 HA LYS 69 HA LYS 69 -2.508 -9.092 -9.749 3 HB2 LYS 69 HB2 LYS 69 -4.235 -8.660 -8.150 4 HB3 LYS 69 HB3 LYS 69 -4.758 -7.218 -9.001 5 HG2 LYS 69 HG2 LYS 69 -5.534 -8.639 -10.854 6 HG3 LYS 69 HG3 LYS 69 -5.104 -10.064 -9.910 7 HD2 LYS 69 HD2 LYS 69 -6.645 -9.312 -8.134 8 HD3 LYS 69 HD3 LYS 69 -7.115 -7.949 -9.147 9 HE2 LYS 69 HE2 LYS 69 -8.787 -9.610 -9.410 10 HE3 LYS 69 HE3 LYS 69 -7.826 -9.620 -10.884 11 HZ1 LYS 69 HZ1 LYS 69 -7.552 -11.535 -8.629 12 HZ2 LYS 69 HZ2 LYS 69 -8.304 -11.854 -10.112 13 HZ3 LYS 69 HZ3 LYS 69 -6.642 -11.551 -10.053 No H/Q in entry = 13 In of MODEL 17 1 H HIS 70 H HIS 70 -4.775 -6.646 -11.000 2 HA HIS 70 HA HIS 70 -4.707 -6.732 -13.575 3 HB2 HIS 70 HB2 HIS 70 -5.843 -4.927 -12.761 4 HB3 HIS 70 HB3 HIS 70 -4.534 -4.435 -11.707 5 HD1 HIS 70 HD1 HIS 70 -6.153 -3.638 -14.873 6 HD2 HIS 70 HD2 HIS 70 -2.423 -2.943 -13.130 7 HE1 HIS 70 HE1 HIS 70 -5.179 -1.684 -16.110 8 HE2 HIS 70 HE2 HIS 70 -3.033 -1.160 -14.907 No H/Q in entry = 8 In of MODEL 17 1 H VAL 71 H VAL 71 -1.740 -5.611 -11.903 2 HA VAL 71 HA VAL 71 -0.564 -4.584 -14.288 3 HB VAL 71 HB VAL 71 -0.105 -4.126 -11.720 4 HG11 VAL 71 HG11 VAL 71 0.939 -6.316 -11.331 5 HG12 VAL 71 HG12 VAL 71 2.234 -5.842 -12.432 6 HG13 VAL 71 HG13 VAL 71 1.958 -4.928 -10.941 7 HG21 VAL 71 HG21 VAL 71 1.887 -3.869 -13.920 8 HG22 VAL 71 HG22 VAL 71 0.596 -2.746 -13.503 9 HG23 VAL 71 HG23 VAL 71 1.939 -3.004 -12.386 No H/Q in entry = 9 In of MODEL 17 1 H VAL 72 H VAL 72 -0.075 -7.684 -12.550 2 HA VAL 72 HA VAL 72 1.276 -8.727 -14.910 3 HB VAL 72 HB VAL 72 1.693 -9.555 -12.532 4 HG11 VAL 72 HG11 VAL 72 -0.909 -10.948 -13.028 5 HG12 VAL 72 HG12 VAL 72 0.259 -11.445 -11.803 6 HG13 VAL 72 HG13 VAL 72 -0.503 -9.855 -11.705 7 HG21 VAL 72 HG21 VAL 72 2.568 -10.614 -14.531 8 HG22 VAL 72 HG22 VAL 72 2.202 -11.778 -13.262 9 HG23 VAL 72 HG23 VAL 72 1.108 -11.596 -14.634 No H/Q in entry = 9 In of MODEL 17 1 H GLY 73 H GLY 73 -1.889 -8.070 -14.018 2 HA2 GLY 73 HA2 GLY 73 -2.734 -9.440 -16.462 3 HA3 GLY 73 HA3 GLY 73 -3.559 -8.094 -15.694 No H/Q in entry = 3 In of MODEL 17 1 H GLU 74 H GLU 74 -5.458 -9.398 -16.053 2 HA GLU 74 HA GLU 74 -6.251 -10.698 -13.675 3 HB2 GLU 74 HB2 GLU 74 -8.367 -11.145 -14.895 4 HB3 GLU 74 HB3 GLU 74 -7.865 -9.460 -14.948 5 HG2 GLU 74 HG2 GLU 74 -6.964 -9.810 -17.184 6 HG3 GLU 74 HG3 GLU 74 -7.500 -11.486 -17.137 No H/Q in entry = 6 In of MODEL 17 1 H GLU 75 H GLU 75 -4.694 -11.866 -16.485 2 HA GLU 75 HA GLU 75 -5.510 -14.589 -16.314 3 HB2 GLU 75 HB2 GLU 75 -4.460 -13.933 -18.336 4 HB3 GLU 75 HB3 GLU 75 -3.078 -13.252 -17.487 5 HG2 GLU 75 HG2 GLU 75 -2.279 -15.408 -16.886 6 HG3 GLU 75 HG3 GLU 75 -3.756 -16.180 -17.469 No H/Q in entry = 6 In of MODEL 17 1 H LYS 76 H LYS 76 -2.395 -13.148 -15.375 2 HA LYS 76 HA LYS 76 -1.510 -15.531 -14.202 3 HB2 LYS 76 HB2 LYS 76 -0.442 -12.722 -13.829 4 HB3 LYS 76 HB3 LYS 76 0.399 -14.221 -13.480 5 HG2 LYS 76 HG2 LYS 76 -0.501 -13.303 -16.195 6 HG3 LYS 76 HG3 LYS 76 1.154 -13.325 -15.587 7 HD2 LYS 76 HD2 LYS 76 -0.591 -15.762 -15.929 8 HD3 LYS 76 HD3 LYS 76 0.644 -15.235 -17.074 9 HE2 LYS 76 HE2 LYS 76 2.364 -15.557 -15.430 10 HE3 LYS 76 HE3 LYS 76 1.171 -15.916 -14.189 11 HZ1 LYS 76 HZ1 LYS 76 0.512 -17.877 -15.459 12 HZ2 LYS 76 HZ2 LYS 76 1.712 -17.540 -16.611 13 HZ3 LYS 76 HZ3 LYS 76 2.150 -17.935 -15.028 No H/Q in entry = 13 In of MODEL 17 1 H ALA 77 H ALA 77 -2.784 -12.562 -12.793 2 HA ALA 77 HA ALA 77 -2.332 -13.285 -10.103 3 HB1 ALA 77 HB1 ALA 77 -4.380 -11.391 -11.241 4 HB2 ALA 77 HB2 ALA 77 -3.827 -11.456 -9.564 5 HB3 ALA 77 HB3 ALA 77 -2.708 -10.984 -10.844 No H/Q in entry = 5 In of MODEL 17 1 H ALA 78 H ALA 78 -4.837 -14.089 -12.376 2 HA ALA 78 HA ALA 78 -6.756 -15.003 -10.475 3 HB1 ALA 78 HB1 ALA 78 -7.522 -14.494 -12.672 4 HB2 ALA 78 HB2 ALA 78 -7.682 -16.238 -12.468 5 HB3 ALA 78 HB3 ALA 78 -6.338 -15.577 -13.404 No H/Q in entry = 5 In of MODEL 17 1 H GLU 79 H GLU 79 -4.175 -16.472 -12.355 2 HA GLU 79 HA GLU 79 -4.598 -19.138 -11.533 3 HB2 GLU 79 HB2 GLU 79 -1.947 -17.922 -12.307 4 HB3 GLU 79 HB3 GLU 79 -2.448 -19.598 -12.479 5 HG2 GLU 79 HG2 GLU 79 -4.127 -18.870 -14.135 6 HG3 GLU 79 HG3 GLU 79 -3.498 -17.232 -14.004 No H/Q in entry = 6 In of MODEL 17 1 H LEU 80 H LEU 80 -2.782 -16.456 -10.202 2 HA LEU 80 HA LEU 80 -1.477 -17.946 -8.150 3 HB2 LEU 80 HB2 LEU 80 -2.031 -14.997 -8.436 4 HB3 LEU 80 HB3 LEU 80 -0.977 -15.703 -7.223 5 HG LEU 80 HG LEU 80 -0.517 -16.078 -10.173 6 HD11 LEU 80 HD11 LEU 80 0.539 -13.926 -8.355 7 HD12 LEU 80 HD12 LEU 80 1.188 -14.303 -9.951 8 HD13 LEU 80 HD13 LEU 80 -0.466 -13.723 -9.788 9 HD21 LEU 80 HD21 LEU 80 1.259 -16.364 -7.755 10 HD22 LEU 80 HD22 LEU 80 0.563 -17.681 -8.699 11 HD23 LEU 80 HD23 LEU 80 1.752 -16.603 -9.432 No H/Q in entry = 11 In of MODEL 17 1 H LYS 81 H LYS 81 -4.386 -15.934 -8.290 2 HA LYS 81 HA LYS 81 -5.067 -16.121 -5.563 3 HB2 LYS 81 HB2 LYS 81 -6.021 -14.557 -7.355 4 HB3 LYS 81 HB3 LYS 81 -7.039 -15.901 -7.841 5 HG2 LYS 81 HG2 LYS 81 -7.023 -14.826 -5.036 6 HG3 LYS 81 HG3 LYS 81 -8.060 -14.168 -6.298 7 HD2 LYS 81 HD2 LYS 81 -8.998 -16.465 -6.614 8 HD3 LYS 81 HD3 LYS 81 -8.058 -16.985 -5.216 9 HE2 LYS 81 HE2 LYS 81 -10.361 -16.477 -4.591 10 HE3 LYS 81 HE3 LYS 81 -9.232 -15.370 -3.815 11 HZ1 LYS 81 HZ1 LYS 81 -9.754 -13.732 -5.542 12 HZ2 LYS 81 HZ2 LYS 81 -10.887 -14.792 -6.216 13 HZ3 LYS 81 HZ3 LYS 81 -11.126 -14.172 -4.659 No H/Q in entry = 13 In of MODEL 17 1 H ASN 82 H ASN 82 -5.953 -18.076 -8.389 2 HA ASN 82 HA ASN 82 -7.539 -19.904 -6.916 3 HB2 ASN 82 HB2 ASN 82 -7.714 -19.615 -9.393 4 HB3 ASN 82 HB3 ASN 82 -6.121 -20.337 -9.563 5 HD21 ASN 82 HD21 ASN 82 -9.462 -20.906 -8.914 6 HD22 ASN 82 HD22 ASN 82 -9.399 -22.629 -9.013 No H/Q in entry = 6 In of MODEL 17 1 H LEU 83 H LEU 83 -4.097 -19.857 -7.828 2 HA LEU 83 HA LEU 83 -3.332 -22.316 -6.872 3 HB2 LEU 83 HB2 LEU 83 -2.092 -19.856 -7.545 4 HB3 LEU 83 HB3 LEU 83 -1.472 -20.338 -5.983 5 HG LEU 83 HG LEU 83 -1.183 -22.649 -7.206 6 HD11 LEU 83 HD11 LEU 83 -2.203 -21.972 -9.289 7 HD12 LEU 83 HD12 LEU 83 -1.015 -20.681 -9.469 8 HD13 LEU 83 HD13 LEU 83 -0.501 -22.366 -9.530 9 HD21 LEU 83 HD21 LEU 83 0.695 -20.319 -7.546 10 HD22 LEU 83 HD22 LEU 83 0.614 -21.399 -6.154 11 HD23 LEU 83 HD23 LEU 83 1.133 -22.019 -7.722 No H/Q in entry = 11 In of MODEL 17 1 H LYS 84 H LYS 84 -3.604 -19.258 -5.093 2 HA LYS 84 HA LYS 84 -2.973 -20.168 -2.549 3 HB2 LYS 84 HB2 LYS 84 -3.214 -17.797 -3.188 4 HB3 LYS 84 HB3 LYS 84 -4.952 -18.016 -3.305 5 HG2 LYS 84 HG2 LYS 84 -5.078 -18.487 -0.930 6 HG3 LYS 84 HG3 LYS 84 -3.324 -18.344 -0.794 7 HD2 LYS 84 HD2 LYS 84 -3.461 -16.007 -1.506 8 HD3 LYS 84 HD3 LYS 84 -5.213 -16.153 -1.652 9 HE2 LYS 84 HE2 LYS 84 -5.393 -16.605 0.728 10 HE3 LYS 84 HE3 LYS 84 -3.639 -16.532 0.891 11 HZ1 LYS 84 HZ1 LYS 84 -3.725 -14.212 0.184 12 HZ2 LYS 84 HZ2 LYS 84 -5.410 -14.291 0.084 13 HZ3 LYS 84 HZ3 LYS 84 -4.643 -14.464 1.577 No H/Q in entry = 13 In of MODEL 17 1 H ASP 85 H ASP 85 -6.235 -19.779 -3.940 2 HA ASP 85 HA ASP 85 -7.625 -20.840 -1.736 3 HB2 ASP 85 HB2 ASP 85 -8.659 -19.445 -3.493 4 HB3 ASP 85 HB3 ASP 85 -8.475 -20.778 -4.631 No H/Q in entry = 4 In of MODEL 17 1 H SER 86 H SER 86 -6.127 -22.482 -4.471 2 HA SER 86 HA SER 86 -7.518 -24.928 -3.851 3 HB2 SER 86 HB2 SER 86 -5.988 -25.932 -5.586 4 HB3 SER 86 HB3 SER 86 -6.986 -24.597 -6.161 5 HG SER 86 HG SER 86 -5.260 -23.321 -6.289 No H/Q in entry = 5 In of MODEL 17 1 H GLY 87 H GLY 87 -4.938 -23.319 -2.520 2 HA2 GLY 87 HA2 GLY 87 -4.055 -25.817 -1.214 3 HA3 GLY 87 HA3 GLY 87 -4.235 -24.287 -0.370 No H/Q in entry = 3 In of MODEL 17 1 H ALA 88 H ALA 88 -2.978 -22.554 -2.136 2 HA ALA 88 HA ALA 88 -0.307 -23.618 -2.402 3 HB1 ALA 88 HB1 ALA 88 -1.176 -20.787 -2.923 4 HB2 ALA 88 HB2 ALA 88 -1.278 -22.087 -4.108 5 HB3 ALA 88 HB3 ALA 88 0.288 -21.580 -3.486 No H/Q in entry = 5 In of MODEL 17 1 H SER 89 H SER 89 1.155 -23.380 -0.870 2 HA SER 89 HA SER 89 0.687 -22.095 1.606 3 HB2 SER 89 HB2 SER 89 3.125 -22.645 1.981 4 HB3 SER 89 HB3 SER 89 2.107 -24.018 1.568 5 HG SER 89 HG SER 89 3.634 -24.306 0.126 No H/Q in entry = 5 In of MODEL 17 1 H LYS 90 H LYS 90 2.254 -20.436 2.520 2 HA LYS 90 HA LYS 90 2.061 -18.034 1.184 3 HB2 LYS 90 HB2 LYS 90 2.507 -18.057 3.530 4 HB3 LYS 90 HB3 LYS 90 4.005 -18.946 3.306 5 HG2 LYS 90 HG2 LYS 90 3.805 -16.304 1.992 6 HG3 LYS 90 HG3 LYS 90 3.929 -16.325 3.750 7 HD2 LYS 90 HD2 LYS 90 5.822 -17.876 2.000 8 HD3 LYS 90 HD3 LYS 90 6.107 -16.186 2.415 9 HE2 LYS 90 HE2 LYS 90 5.718 -18.409 4.417 10 HE3 LYS 90 HE3 LYS 90 7.282 -17.775 3.908 11 HZ1 LYS 90 HZ1 LYS 90 6.554 -15.578 4.721 12 HZ2 LYS 90 HZ2 LYS 90 5.141 -16.285 5.327 13 HZ3 LYS 90 HZ3 LYS 90 6.648 -16.736 5.947 No H/Q in entry = 13 In of MODEL 17 1 H GLU 91 H GLU 91 4.612 -20.415 1.040 2 HA GLU 91 HA GLU 91 6.541 -18.866 -0.352 3 HB2 GLU 91 HB2 GLU 91 6.180 -21.844 -0.133 4 HB3 GLU 91 HB3 GLU 91 7.596 -21.040 -0.800 5 HG2 GLU 91 HG2 GLU 91 7.870 -19.882 1.398 6 HG3 GLU 91 HG3 GLU 91 6.582 -20.903 2.029 No H/Q in entry = 6 In of MODEL 17 1 H GLU 92 H GLU 92 3.834 -20.816 -1.476 2 HA GLU 92 HA GLU 92 4.695 -21.012 -4.190 3 HB2 GLU 92 HB2 GLU 92 1.996 -21.310 -2.884 4 HB3 GLU 92 HB3 GLU 92 2.370 -21.754 -4.539 5 HG2 GLU 92 HG2 GLU 92 3.735 -22.921 -2.152 6 HG3 GLU 92 HG3 GLU 92 2.317 -23.614 -2.916 No H/Q in entry = 6 In of MODEL 17 1 H LEU 93 H LEU 93 2.654 -18.938 -2.253 2 HA LEU 93 HA LEU 93 2.010 -17.122 -4.346 3 HB2 LEU 93 HB2 LEU 93 2.211 -16.836 -1.348 4 HB3 LEU 93 HB3 LEU 93 1.782 -15.486 -2.378 5 HG LEU 93 HG LEU 93 -0.139 -16.643 -1.297 6 HD11 LEU 93 HD11 LEU 93 -0.448 -15.273 -3.296 7 HD12 LEU 93 HD12 LEU 93 -0.101 -16.673 -4.312 8 HD13 LEU 93 HD13 LEU 93 -1.548 -16.652 -3.306 9 HD21 LEU 93 HD21 LEU 93 0.547 -18.880 -3.169 10 HD22 LEU 93 HD22 LEU 93 0.584 -18.931 -1.406 11 HD23 LEU 93 HD23 LEU 93 -0.952 -18.735 -2.251 No H/Q in entry = 11 In of MODEL 17 1 H LYS 94 H LYS 94 4.772 -17.341 -2.051 2 HA LYS 94 HA LYS 94 5.655 -14.748 -2.796 3 HB2 LYS 94 HB2 LYS 94 6.172 -15.969 -0.629 4 HB3 LYS 94 HB3 LYS 94 7.372 -16.882 -1.534 5 HG2 LYS 94 HG2 LYS 94 8.574 -14.859 -2.064 6 HG3 LYS 94 HG3 LYS 94 7.336 -13.884 -1.272 7 HD2 LYS 94 HD2 LYS 94 9.209 -14.115 0.219 8 HD3 LYS 94 HD3 LYS 94 7.852 -15.041 0.860 9 HE2 LYS 94 HE2 LYS 94 9.951 -16.276 1.060 10 HE3 LYS 94 HE3 LYS 94 8.824 -17.097 -0.020 11 HZ1 LYS 94 HZ1 LYS 94 11.098 -15.390 -0.877 12 HZ2 LYS 94 HZ2 LYS 94 11.065 -17.079 -0.913 13 HZ3 LYS 94 HZ3 LYS 94 10.027 -16.195 -1.907 No H/Q in entry = 13 In of MODEL 17 1 H ALA 95 H ALA 95 6.363 -17.952 -3.894 2 HA ALA 95 HA ALA 95 8.545 -17.019 -5.556 3 HB1 ALA 95 HB1 ALA 95 7.388 -19.785 -5.221 4 HB2 ALA 95 HB2 ALA 95 8.775 -19.126 -4.349 5 HB3 ALA 95 HB3 ALA 95 8.868 -19.373 -6.091 No H/Q in entry = 5 In of MODEL 17 1 H LYS 96 H LYS 96 5.363 -18.636 -6.065 2 HA LYS 96 HA LYS 96 5.682 -18.679 -8.913 3 HB2 LYS 96 HB2 LYS 96 4.007 -19.923 -7.178 4 HB3 LYS 96 HB3 LYS 96 2.942 -18.687 -7.809 5 HG2 LYS 96 HG2 LYS 96 4.446 -20.667 -9.509 6 HG3 LYS 96 HG3 LYS 96 2.776 -20.859 -8.980 7 HD2 LYS 96 HD2 LYS 96 2.652 -18.402 -10.076 8 HD3 LYS 96 HD3 LYS 96 3.924 -19.119 -11.066 9 HE2 LYS 96 HE2 LYS 96 1.161 -20.251 -10.616 10 HE3 LYS 96 HE3 LYS 96 1.730 -19.453 -12.078 11 HZ1 LYS 96 HZ1 LYS 96 3.353 -21.232 -12.360 12 HZ2 LYS 96 HZ2 LYS 96 2.775 -22.003 -10.972 13 HZ3 LYS 96 HZ3 LYS 96 1.775 -21.840 -12.327 No H/Q in entry = 13 In of MODEL 17 1 H VAL 97 H VAL 97 4.697 -16.288 -6.668 2 HA VAL 97 HA VAL 97 3.237 -14.589 -8.412 3 HB VAL 97 HB VAL 97 3.662 -14.549 -5.752 4 HG11 VAL 97 HG11 VAL 97 5.408 -12.501 -7.003 5 HG12 VAL 97 HG12 VAL 97 4.848 -12.401 -5.331 6 HG13 VAL 97 HG13 VAL 97 5.863 -13.750 -5.853 7 HG21 VAL 97 HG21 VAL 97 2.863 -12.246 -7.509 8 HG22 VAL 97 HG22 VAL 97 1.801 -13.502 -6.871 9 HG23 VAL 97 HG23 VAL 97 2.566 -12.352 -5.774 No H/Q in entry = 9 In of MODEL 17 1 H GLU 98 H GLU 98 6.603 -15.060 -7.695 2 HA GLU 98 HA GLU 98 7.403 -12.689 -9.118 3 HB2 GLU 98 HB2 GLU 98 8.974 -14.900 -7.801 4 HB3 GLU 98 HB3 GLU 98 9.715 -13.518 -8.601 5 HG2 GLU 98 HG2 GLU 98 8.487 -12.021 -7.074 6 HG3 GLU 98 HG3 GLU 98 7.849 -13.427 -6.231 No H/Q in entry = 6 In of MODEL 17 1 H GLU 99 H GLU 99 6.841 -15.971 -9.869 2 HA GLU 99 HA GLU 99 8.242 -16.062 -12.350 3 HB2 GLU 99 HB2 GLU 99 5.672 -17.453 -11.548 4 HB3 GLU 99 HB3 GLU 99 6.674 -17.868 -12.930 5 HG2 GLU 99 HG2 GLU 99 7.550 -18.030 -10.056 6 HG3 GLU 99 HG3 GLU 99 6.968 -19.388 -11.019 No H/Q in entry = 6 In of MODEL 17 1 H ALA 100 H ALA 100 5.023 -15.092 -11.353 2 HA ALA 100 HA ALA 100 4.120 -14.341 -13.938 3 HB1 ALA 100 HB1 ALA 100 3.035 -13.299 -11.335 4 HB2 ALA 100 HB2 ALA 100 2.717 -14.938 -11.907 5 HB3 ALA 100 HB3 ALA 100 2.185 -13.558 -12.859 No H/Q in entry = 5 In of MODEL 17 1 H LEU 101 H LEU 101 5.375 -12.510 -11.160 2 HA LEU 101 HA LEU 101 5.244 -9.969 -12.352 3 HB2 LEU 101 HB2 LEU 101 7.107 -10.953 -10.198 4 HB3 LEU 101 HB3 LEU 101 6.834 -9.270 -10.604 5 HG LEU 101 HG LEU 101 4.793 -11.178 -9.466 6 HD11 LEU 101 HD11 LEU 101 6.454 -10.465 -7.844 7 HD12 LEU 101 HD12 LEU 101 6.164 -8.777 -8.270 8 HD13 LEU 101 HD13 LEU 101 4.889 -9.727 -7.507 9 HD21 LEU 101 HD21 LEU 101 4.541 -8.268 -10.211 10 HD22 LEU 101 HD22 LEU 101 3.731 -9.625 -10.995 11 HD23 LEU 101 HD23 LEU 101 3.337 -9.206 -9.329 No H/Q in entry = 11 In of MODEL 17 1 H HIS 102 H HIS 102 7.457 -12.548 -12.861 2 HA HIS 102 HA HIS 102 9.374 -10.837 -14.202 3 HB2 HIS 102 HB2 HIS 102 9.165 -13.749 -13.671 4 HB3 HIS 102 HB3 HIS 102 10.114 -13.231 -15.057 5 HD1 HIS 102 HD1 HIS 102 12.460 -13.529 -14.281 6 HD2 HIS 102 HD2 HIS 102 10.110 -11.562 -11.478 7 HE1 HIS 102 HE1 HIS 102 14.036 -12.814 -12.459 8 HE2 HIS 102 HE2 HIS 102 12.560 -11.794 -10.696 No H/Q in entry = 8 In of MODEL 17 1 H ALA 103 H ALA 103 6.758 -13.075 -15.045 2 HA ALA 103 HA ALA 103 7.366 -13.213 -17.765 3 HB1 ALA 103 HB1 ALA 103 4.670 -13.687 -16.509 4 HB2 ALA 103 HB2 ALA 103 6.013 -14.827 -16.401 5 HB3 ALA 103 HB3 ALA 103 5.321 -14.424 -17.977 No H/Q in entry = 5 In of MODEL 17 1 H VAL 104 H VAL 104 6.005 -10.605 -16.080 2 HA VAL 104 HA VAL 104 3.967 -9.882 -17.884 3 HB VAL 104 HB VAL 104 3.619 -9.065 -15.783 4 HG11 VAL 104 HG11 VAL 104 6.482 -8.196 -15.704 5 HG12 VAL 104 HG12 VAL 104 5.298 -7.862 -14.447 6 HG13 VAL 104 HG13 VAL 104 5.737 -9.522 -14.821 7 HG21 VAL 104 HG21 VAL 104 3.303 -7.269 -17.447 8 HG22 VAL 104 HG22 VAL 104 3.711 -6.655 -15.844 9 HG23 VAL 104 HG23 VAL 104 4.939 -6.709 -17.103 No H/Q in entry = 9 In of MODEL 17 1 H THR 105 H THR 105 6.872 -7.970 -17.190 2 HA THR 105 HA THR 105 8.499 -7.093 -18.457 3 HB THR 105 HB THR 105 9.089 -7.944 -20.607 4 HG1 THR 105 HG1 THR 105 6.438 -8.960 -20.663 5 HG21 THR 105 HG21 THR 105 9.540 -9.410 -18.712 6 HG22 THR 105 HG22 THR 105 7.957 -10.167 -18.912 7 HG23 THR 105 HG23 THR 105 9.187 -10.348 -20.164 No H/Q in entry = 7 In of MODEL 17 1 H ASP 106 H ASP 106 5.338 -6.334 -18.862 2 HA ASP 106 HA ASP 106 5.741 -4.353 -20.890 3 HB2 ASP 106 HB2 ASP 106 3.519 -4.903 -18.931 4 HB3 ASP 106 HB3 ASP 106 3.520 -3.465 -19.940 No H/Q in entry = 4 In of MODEL 17 1 H GLU 107 H GLU 107 6.198 -2.240 -20.652 2 HA GLU 107 HA GLU 107 8.097 -1.784 -18.685 3 HB2 GLU 107 HB2 GLU 107 8.132 0.578 -19.566 4 HB3 GLU 107 HB3 GLU 107 8.379 -0.690 -20.752 5 HG2 GLU 107 HG2 GLU 107 6.067 -0.464 -21.491 6 HG3 GLU 107 HG3 GLU 107 5.796 0.786 -20.276 No H/Q in entry = 6 In of MODEL 17 1 H GLU 108 H GLU 108 4.992 -0.029 -19.006 2 HA GLU 108 HA GLU 108 5.324 1.432 -16.627 3 HB2 GLU 108 HB2 GLU 108 2.923 1.940 -16.789 4 HB3 GLU 108 HB3 GLU 108 3.741 2.151 -18.329 5 HG2 GLU 108 HG2 GLU 108 2.847 0.072 -19.141 6 HG3 GLU 108 HG3 GLU 108 2.131 -0.272 -17.570 No H/Q in entry = 6 In of MODEL 17 1 H LYS 109 H LYS 109 3.851 -1.704 -17.276 2 HA LYS 109 HA LYS 109 2.705 -2.231 -14.800 3 HB2 LYS 109 HB2 LYS 109 3.891 -3.941 -16.942 4 HB3 LYS 109 HB3 LYS 109 3.427 -4.667 -15.415 5 HG2 LYS 109 HG2 LYS 109 1.735 -4.844 -17.202 6 HG3 LYS 109 HG3 LYS 109 1.155 -4.097 -15.726 7 HD2 LYS 109 HD2 LYS 109 1.125 -1.967 -16.702 8 HD3 LYS 109 HD3 LYS 109 2.102 -2.491 -18.079 9 HE2 LYS 109 HE2 LYS 109 -0.275 -2.210 -18.657 10 HE3 LYS 109 HE3 LYS 109 0.281 -3.865 -18.885 11 HZ1 LYS 109 HZ1 LYS 109 -1.208 -2.902 -16.509 12 HZ2 LYS 109 HZ2 LYS 109 -1.918 -3.692 -17.825 13 HZ3 LYS 109 HZ3 LYS 109 -0.790 -4.506 -16.859 No H/Q in entry = 13 In of MODEL 17 1 H LYS 110 H LYS 110 6.013 -2.837 -15.947 2 HA LYS 110 HA LYS 110 6.866 -3.965 -13.464 3 HB2 LYS 110 HB2 LYS 110 8.500 -2.942 -15.786 4 HB3 LYS 110 HB3 LYS 110 9.138 -3.862 -14.433 5 HG2 LYS 110 HG2 LYS 110 7.408 -5.651 -15.155 6 HG3 LYS 110 HG3 LYS 110 7.399 -4.760 -16.683 7 HD2 LYS 110 HD2 LYS 110 9.875 -5.841 -15.337 8 HD3 LYS 110 HD3 LYS 110 9.025 -6.636 -16.660 9 HE2 LYS 110 HE2 LYS 110 9.507 -4.815 -18.143 10 HE3 LYS 110 HE3 LYS 110 10.162 -3.851 -16.823 11 HZ1 LYS 110 HZ1 LYS 110 11.334 -6.404 -17.785 12 HZ2 LYS 110 HZ2 LYS 110 11.885 -4.867 -18.217 13 HZ3 LYS 110 HZ3 LYS 110 11.986 -5.379 -16.610 No H/Q in entry = 13 In of MODEL 17 1 H GLN 111 H GLN 111 6.536 -0.770 -14.591 2 HA GLN 111 HA GLN 111 8.357 0.496 -12.813 3 HB2 GLN 111 HB2 GLN 111 7.178 1.593 -14.758 4 HB3 GLN 111 HB3 GLN 111 5.710 1.585 -13.795 5 HG2 GLN 111 HG2 GLN 111 6.857 3.758 -13.786 6 HG3 GLN 111 HG3 GLN 111 6.701 3.058 -12.175 7 HE21 GLN 111 HE21 GLN 111 8.498 2.514 -11.043 8 HE22 GLN 111 HE22 GLN 111 10.110 2.859 -11.579 No H/Q in entry = 8 In of MODEL 17 1 H TYR 112 H TYR 112 5.007 -0.560 -12.562 2 HA TYR 112 HA TYR 112 4.601 0.273 -9.859 3 HB2 TYR 112 HB2 TYR 112 3.203 -1.840 -11.503 4 HB3 TYR 112 HB3 TYR 112 2.653 -1.272 -9.932 5 HD1 TYR 112 HD1 TYR 112 2.838 1.574 -10.030 6 HD2 TYR 112 HD2 TYR 112 1.775 -1.093 -13.165 7 HE1 TYR 112 HE1 TYR 112 1.593 3.375 -11.114 8 HE2 TYR 112 HE2 TYR 112 0.514 0.711 -14.267 9 HH TYR 112 HH TYR 112 -0.580 2.824 -13.672 No H/Q in entry = 9 In of MODEL 17 1 H ILE 113 H ILE 113 5.814 -2.653 -11.397 2 HA ILE 113 HA ILE 113 5.868 -4.252 -9.086 3 HB ILE 113 HB ILE 113 7.538 -4.409 -11.586 4 HG12 ILE 113 HG12 ILE 113 5.053 -5.870 -10.662 5 HG13 ILE 113 HG13 ILE 113 5.132 -4.662 -11.939 6 HG21 ILE 113 HG21 ILE 113 8.671 -5.542 -9.745 7 HG22 ILE 113 HG22 ILE 113 7.201 -6.450 -9.392 8 HG23 ILE 113 HG23 ILE 113 8.049 -6.707 -10.916 9 HD11 ILE 113 HD11 ILE 113 6.517 -7.325 -11.992 10 HD12 ILE 113 HD12 ILE 113 4.996 -6.946 -12.796 11 HD13 ILE 113 HD13 ILE 113 6.480 -6.133 -13.288 No H/Q in entry = 11 In of MODEL 17 1 H ALA 114 H ALA 114 8.256 -2.011 -10.446 2 HA ALA 114 HA ALA 114 10.284 -2.601 -8.497 3 HB1 ALA 114 HB1 ALA 114 10.872 -1.729 -10.690 4 HB2 ALA 114 HB2 ALA 114 11.426 -0.638 -9.421 5 HB3 ALA 114 HB3 ALA 114 9.981 -0.244 -10.355 No H/Q in entry = 5 In of MODEL 17 1 H ASP 115 H ASP 115 7.882 -0.026 -8.900 2 HA ASP 115 HA ASP 115 8.815 1.412 -6.607 3 HB2 ASP 115 HB2 ASP 115 6.332 1.673 -8.290 4 HB3 ASP 115 HB3 ASP 115 6.582 2.657 -6.853 No H/Q in entry = 4 In of MODEL 17 1 H PHE 116 H PHE 116 5.952 -0.536 -7.220 2 HA PHE 116 HA PHE 116 5.256 -0.263 -4.398 3 HB2 PHE 116 HB2 PHE 116 3.513 0.614 -5.688 4 HB3 PHE 116 HB3 PHE 116 3.659 -0.637 -6.911 5 HD1 PHE 116 HD1 PHE 116 2.685 -0.077 -3.401 6 HD2 PHE 116 HD2 PHE 116 2.190 -2.424 -6.911 7 HE1 PHE 116 HE1 PHE 116 0.822 -1.292 -2.327 8 HE2 PHE 116 HE2 PHE 116 0.335 -3.644 -5.850 9 HZ PHE 116 HZ PHE 116 -0.398 -3.077 -3.650 No H/Q in entry = 9 In of MODEL 17 1 H GLY 117 H GLY 117 6.252 -2.562 -6.722 2 HA2 GLY 117 HA2 GLY 117 6.602 -4.826 -6.648 3 HA3 GLY 117 HA3 GLY 117 4.993 -4.901 -5.967 No H/Q in entry = 3 In of MODEL 17 1 HA PRO 118 HA PRO 118 8.626 -6.203 -3.007 2 HB2 PRO 118 HB2 PRO 118 10.069 -4.108 -1.937 3 HB3 PRO 118 HB3 PRO 118 10.591 -5.088 -3.310 4 HG2 PRO 118 HG2 PRO 118 9.251 -2.412 -3.290 5 HG3 PRO 118 HG3 PRO 118 10.594 -2.983 -4.300 6 HD2 PRO 118 HD2 PRO 118 8.107 -2.844 -5.265 7 HD3 PRO 118 HD3 PRO 118 9.183 -4.189 -5.706 No H/Q in entry = 7 In of MODEL 17 1 H ALA 119 H ALA 119 6.880 -3.227 -2.551 2 HA ALA 119 HA ALA 119 6.636 -3.554 0.329 3 HB1 ALA 119 HB1 ALA 119 5.283 -1.510 0.187 4 HB2 ALA 119 HB2 ALA 119 5.419 -1.555 -1.570 5 HB3 ALA 119 HB3 ALA 119 6.860 -1.317 -0.580 No H/Q in entry = 5 In of MODEL 17 1 H CYS 120 H CYS 120 4.718 -3.990 -2.579 2 HA CYS 120 HA CYS 120 2.283 -4.702 -1.421 3 HB2 CYS 120 HB2 CYS 120 2.508 -4.348 -3.809 4 HB3 CYS 120 HB3 CYS 120 3.624 -5.703 -3.939 No H/Q in entry = 4 In of MODEL 17 1 H LYS 121 H LYS 121 5.296 -6.454 -1.725 2 HA LYS 121 HA LYS 121 4.429 -9.056 -1.237 3 HB2 LYS 121 HB2 LYS 121 6.888 -7.763 -1.455 4 HB3 LYS 121 HB3 LYS 121 6.898 -8.459 0.159 5 HG2 LYS 121 HG2 LYS 121 7.896 -10.005 -1.370 6 HG3 LYS 121 HG3 LYS 121 6.355 -10.657 -0.815 7 HD2 LYS 121 HD2 LYS 121 5.288 -10.053 -2.878 8 HD3 LYS 121 HD3 LYS 121 6.722 -9.180 -3.417 9 HE2 LYS 121 HE2 LYS 121 6.607 -12.145 -2.872 10 HE3 LYS 121 HE3 LYS 121 6.485 -11.408 -4.469 11 HZ1 LYS 121 HZ1 LYS 121 8.697 -10.485 -4.173 12 HZ2 LYS 121 HZ2 LYS 121 8.822 -11.195 -2.646 13 HZ3 LYS 121 HZ3 LYS 121 8.732 -12.173 -4.027 No H/Q in entry = 13 In of MODEL 17 1 H LYS 122 H LYS 122 5.572 -6.663 1.209 2 HA LYS 122 HA LYS 122 4.711 -8.254 3.395 3 HB2 LYS 122 HB2 LYS 122 4.978 -6.252 4.786 4 HB3 LYS 122 HB3 LYS 122 6.378 -6.547 3.771 5 HG2 LYS 122 HG2 LYS 122 5.537 -4.812 2.208 6 HG3 LYS 122 HG3 LYS 122 4.247 -4.465 3.363 7 HD2 LYS 122 HD2 LYS 122 7.202 -4.294 3.949 8 HD3 LYS 122 HD3 LYS 122 6.157 -2.921 3.587 9 HE2 LYS 122 HE2 LYS 122 4.865 -3.313 5.574 10 HE3 LYS 122 HE3 LYS 122 5.727 -4.816 5.893 11 HZ1 LYS 122 HZ1 LYS 122 7.025 -2.152 5.842 12 HZ2 LYS 122 HZ2 LYS 122 6.465 -2.901 7.255 13 HZ3 LYS 122 HZ3 LYS 122 7.709 -3.612 6.349 No H/Q in entry = 13 In of MODEL 17 1 H ILE 123 H ILE 123 3.047 -6.095 1.252 2 HA ILE 123 HA ILE 123 0.823 -5.545 2.890 3 HB ILE 123 HB ILE 123 1.101 -5.580 -0.088 4 HG12 ILE 123 HG12 ILE 123 0.826 -3.393 1.984 5 HG13 ILE 123 HG13 ILE 123 2.303 -3.831 1.130 6 HG21 ILE 123 HG21 ILE 123 -1.299 -4.794 1.559 7 HG22 ILE 123 HG22 ILE 123 -1.100 -4.468 -0.165 8 HG23 ILE 123 HG23 ILE 123 -1.206 -6.132 0.413 9 HD11 ILE 123 HD11 ILE 123 -0.178 -2.790 -0.189 10 HD12 ILE 123 HD12 ILE 123 1.206 -1.802 0.271 11 HD13 ILE 123 HD13 ILE 123 1.389 -3.067 -0.939 No H/Q in entry = 11 In of MODEL 17 1 H TYR 124 H TYR 124 1.284 -7.918 0.385 2 HA TYR 124 HA TYR 124 -0.962 -9.575 0.999 3 HB2 TYR 124 HB2 TYR 124 1.312 -9.623 -0.879 4 HB3 TYR 124 HB3 TYR 124 0.732 -11.204 -0.374 5 HD1 TYR 124 HD1 TYR 124 -0.358 -8.000 -1.907 6 HD2 TYR 124 HD2 TYR 124 -1.204 -12.125 -1.320 7 HE1 TYR 124 HE1 TYR 124 -2.167 -7.864 -3.569 8 HE2 TYR 124 HE2 TYR 124 -3.017 -11.999 -2.978 9 HH TYR 124 HH TYR 124 -3.397 -9.356 -5.074 No H/Q in entry = 9 In of MODEL 17 1 H GLY 125 H GLY 125 0.634 -9.050 3.314 2 HA2 GLY 125 HA2 GLY 125 1.960 -10.071 4.973 3 HA3 GLY 125 HA3 GLY 125 3.068 -9.504 3.759 No H/Q in entry = 3 In of MODEL 17 1 H VAL 126 H VAL 126 2.262 -11.784 1.969 2 HA VAL 126 HA VAL 126 3.228 -14.190 2.900 3 HB VAL 126 HB VAL 126 4.214 -14.510 0.605 4 HG11 VAL 126 HG11 VAL 126 1.397 -13.445 0.736 5 HG12 VAL 126 HG12 VAL 126 2.056 -14.443 -0.559 6 HG13 VAL 126 HG13 VAL 126 1.903 -15.100 1.070 7 HG21 VAL 126 HG21 VAL 126 4.869 -12.176 0.188 8 HG22 VAL 126 HG22 VAL 126 3.817 -12.790 -1.088 9 HG23 VAL 126 HG23 VAL 126 3.168 -11.711 0.147 No H/Q in entry = 9 In of MODEL 17 1 H HIS 127 H HIS 127 5.014 -11.252 2.121 2 HA HIS 127 HA HIS 127 7.568 -12.498 2.696 3 HB2 HIS 127 HB2 HIS 127 7.385 -10.698 0.985 4 HB3 HIS 127 HB3 HIS 127 6.903 -9.573 2.248 5 HD1 HIS 127 HD1 HIS 127 8.754 -8.363 3.440 6 HD2 HIS 127 HD2 HIS 127 10.125 -11.652 1.291 7 HE1 HIS 127 HE1 HIS 127 11.262 -8.258 3.564 8 HE2 HIS 127 HE2 HIS 127 12.062 -10.340 2.393 No H/Q in entry = 8 In of MODEL 17 1 H THR 128 H THR 128 7.295 -13.197 4.821 2 HA THR 128 HA THR 128 6.421 -11.616 6.963 3 HB THR 128 HB THR 128 8.422 -13.886 7.052 4 HG1 THR 128 HG1 THR 128 5.586 -13.802 6.933 5 HG21 THR 128 HG21 THR 128 8.293 -12.577 9.132 6 HG22 THR 128 HG22 THR 128 6.548 -12.822 9.169 7 HG23 THR 128 HG23 THR 128 7.636 -14.200 9.343 No H/Q in entry = 7 In of MODEL 17 1 H SER 129 H SER 129 7.272 -9.644 7.190 2 HA SER 129 HA SER 129 10.099 -9.209 6.733 3 HB2 SER 129 HB2 SER 129 7.934 -7.212 7.438 4 HB3 SER 129 HB3 SER 129 9.542 -6.847 6.808 5 HG SER 129 HG SER 129 7.624 -8.436 5.437 No H/Q in entry = 5 In of MODEL 18 1 HA2 GLY -4 HA2 GLY -4 -16.181 8.832 -24.838 2 HA3 GLY -4 HA3 GLY -4 -17.085 9.051 -23.347 3 H1 GLY -4 H1 GLY -4 -17.925 10.469 -25.102 4 H2 GLY -4 H2 GLY -4 -16.408 11.194 -25.278 No H/Q in entry = 4 In of MODEL 18 1 H SER -3 H SER -3 -14.833 7.930 -22.895 2 HA SER -3 HA SER -3 -12.896 8.003 -21.734 3 HB2 SER -3 HB2 SER -3 -11.940 9.039 -23.734 4 HB3 SER -3 HB3 SER -3 -12.478 10.627 -23.187 5 HG SER -3 HG SER -3 -11.137 10.065 -21.229 No H/Q in entry = 5 In of MODEL 18 1 HA PRO -2 HA PRO -2 -14.762 10.586 -18.420 2 HB2 PRO -2 HB2 PRO -2 -13.983 8.273 -16.785 3 HB3 PRO -2 HB3 PRO -2 -15.568 9.029 -16.963 4 HG2 PRO -2 HG2 PRO -2 -15.029 6.598 -17.987 5 HG3 PRO -2 HG3 PRO -2 -16.124 7.736 -18.794 6 HD2 PRO -2 HD2 PRO -2 -13.259 7.106 -19.405 7 HD3 PRO -2 HD3 PRO -2 -14.623 7.340 -20.520 No H/Q in entry = 7 In of MODEL 18 1 H GLU -1 H GLU -1 -13.716 10.878 -16.105 2 HA GLU -1 HA GLU -1 -11.019 11.722 -16.530 3 HB2 GLU -1 HB2 GLU -1 -12.648 12.908 -15.040 4 HB3 GLU -1 HB3 GLU -1 -12.539 11.556 -13.922 5 HG2 GLU -1 HG2 GLU -1 -11.143 13.514 -13.309 6 HG3 GLU -1 HG3 GLU -1 -10.244 12.007 -13.478 No H/Q in entry = 6 In of MODEL 18 1 H PHE 0 H PHE 0 -9.891 9.868 -17.044 2 HA PHE 0 HA PHE 0 -9.956 7.580 -15.322 3 HB2 PHE 0 HB2 PHE 0 -8.308 6.616 -16.874 4 HB3 PHE 0 HB3 PHE 0 -9.738 7.222 -17.699 5 HD1 PHE 0 HD1 PHE 0 -9.625 9.341 -18.937 6 HD2 PHE 0 HD2 PHE 0 -6.171 7.489 -17.315 7 HE1 PHE 0 HE1 PHE 0 -8.209 10.703 -20.428 8 HE2 PHE 0 HE2 PHE 0 -4.737 8.840 -18.793 9 HZ PHE 0 HZ PHE 0 -5.757 10.450 -20.353 No H/Q in entry = 9 In of MODEL 18 1 H HIS 1 H HIS 1 -8.463 6.869 -13.949 2 HA HIS 1 HA HIS 1 -5.859 8.079 -13.748 3 HB2 HIS 1 HB2 HIS 1 -6.143 8.524 -11.267 4 HB3 HIS 1 HB3 HIS 1 -6.973 9.648 -12.329 5 HD1 HIS 1 HD1 HIS 1 -7.528 7.248 -9.592 6 HD2 HIS 1 HD2 HIS 1 -9.832 9.327 -12.360 7 HE1 HIS 1 HE1 HIS 1 -9.891 7.119 -8.742 8 HE2 HIS 1 HE2 HIS 1 -11.239 8.520 -10.344 No H/Q in entry = 8 In of MODEL 18 1 H HIS 2 H HIS 2 -4.953 6.166 -14.140 2 HA HIS 2 HA HIS 2 -5.934 3.665 -13.340 3 HB2 HIS 2 HB2 HIS 2 -3.075 4.381 -14.021 4 HB3 HIS 2 HB3 HIS 2 -3.755 2.762 -13.997 5 HD1 HIS 2 HD1 HIS 2 -2.484 4.563 -16.431 6 HD2 HIS 2 HD2 HIS 2 -6.428 3.386 -15.851 7 HE1 HIS 2 HE1 HIS 2 -3.547 4.627 -18.706 8 HE2 HIS 2 HE2 HIS 2 -5.963 4.032 -18.316 No H/Q in entry = 8 In of MODEL 18 1 H PHE 3 H PHE 3 -2.861 5.077 -12.222 2 HA PHE 3 HA PHE 3 -3.539 4.253 -9.504 3 HB2 PHE 3 HB2 PHE 3 -0.997 3.460 -10.944 4 HB3 PHE 3 HB3 PHE 3 -1.260 3.275 -9.211 5 HD1 PHE 3 HD1 PHE 3 -3.170 1.799 -8.441 6 HD2 PHE 3 HD2 PHE 3 -1.738 1.830 -12.448 7 HE1 PHE 3 HE1 PHE 3 -4.230 -0.385 -8.835 8 HE2 PHE 3 HE2 PHE 3 -2.793 -0.353 -12.848 9 HZ PHE 3 HZ PHE 3 -4.043 -1.464 -11.041 No H/Q in entry = 9 In of MODEL 18 1 H THR 4 H THR 4 -3.824 6.462 -9.154 2 HA THR 4 HA THR 4 -1.322 8.008 -9.032 3 HB THR 4 HB THR 4 -2.706 10.051 -8.972 4 HG1 THR 4 HG1 THR 4 -4.925 9.935 -9.245 5 HG21 THR 4 HG21 THR 4 -3.327 8.266 -11.330 6 HG22 THR 4 HG22 THR 4 -3.481 10.023 -11.305 7 HG23 THR 4 HG23 THR 4 -1.893 9.274 -11.139 No H/Q in entry = 7 In of MODEL 18 1 H LEU 5 H LEU 5 -0.908 9.099 -7.007 2 HA LEU 5 HA LEU 5 -1.341 7.651 -4.768 3 HB2 LEU 5 HB2 LEU 5 0.283 9.454 -4.923 4 HB3 LEU 5 HB3 LEU 5 -1.008 10.641 -4.908 5 HG LEU 5 HG LEU 5 -1.632 9.821 -2.616 6 HD11 LEU 5 HD11 LEU 5 0.990 8.352 -2.850 7 HD12 LEU 5 HD12 LEU 5 0.056 8.555 -1.369 8 HD13 LEU 5 HD13 LEU 5 -0.609 7.624 -2.710 9 HD21 LEU 5 HD21 LEU 5 -0.340 11.859 -2.946 10 HD22 LEU 5 HD22 LEU 5 0.184 11.006 -1.495 11 HD23 LEU 5 HD23 LEU 5 1.152 10.920 -2.965 No H/Q in entry = 11 In of MODEL 18 1 H GLU 6 H GLU 6 -3.217 10.606 -5.507 2 HA GLU 6 HA GLU 6 -5.116 10.560 -3.546 3 HB2 GLU 6 HB2 GLU 6 -4.968 12.242 -5.379 4 HB3 GLU 6 HB3 GLU 6 -5.744 11.083 -6.451 5 HG2 GLU 6 HG2 GLU 6 -7.673 11.039 -4.874 6 HG3 GLU 6 HG3 GLU 6 -6.908 12.362 -3.997 No H/Q in entry = 6 In of MODEL 18 1 H SER 7 H SER 7 -4.934 8.283 -6.281 2 HA SER 7 HA SER 7 -7.631 7.576 -6.365 3 HB2 SER 7 HB2 SER 7 -5.194 5.964 -7.111 4 HB3 SER 7 HB3 SER 7 -6.848 5.477 -7.481 5 HG SER 7 HG SER 7 -5.479 7.805 -8.384 No H/Q in entry = 5 In of MODEL 18 1 H SER 8 H SER 8 -5.424 6.813 -3.848 2 HA SER 8 HA SER 8 -6.967 4.440 -3.147 3 HB2 SER 8 HB2 SER 8 -5.190 4.077 -1.410 4 HB3 SER 8 HB3 SER 8 -4.659 4.006 -3.096 5 HG SER 8 HG SER 8 -3.838 6.098 -2.902 No H/Q in entry = 5 In of MODEL 18 1 H LEU 9 H LEU 9 -6.692 7.729 -2.123 2 HA LEU 9 HA LEU 9 -6.657 7.565 0.560 3 HB2 LEU 9 HB2 LEU 9 -7.751 9.620 -1.285 4 HB3 LEU 9 HB3 LEU 9 -7.803 9.849 0.452 5 HG LEU 9 HG LEU 9 -5.866 10.932 -0.566 6 HD11 LEU 9 HD11 LEU 9 -5.739 10.103 1.741 7 HD12 LEU 9 HD12 LEU 9 -5.088 8.581 1.134 8 HD13 LEU 9 HD13 LEU 9 -4.167 10.079 0.941 9 HD21 LEU 9 HD21 LEU 9 -5.572 9.273 -2.394 10 HD22 LEU 9 HD22 LEU 9 -4.088 9.780 -1.579 11 HD23 LEU 9 HD23 LEU 9 -4.813 8.217 -1.202 No H/Q in entry = 11 In of MODEL 18 1 H ASP 10 H ASP 10 -9.581 7.399 -1.332 2 HA ASP 10 HA ASP 10 -11.150 7.095 1.120 3 HB2 ASP 10 HB2 ASP 10 -11.891 7.534 -1.757 4 HB3 ASP 10 HB3 ASP 10 -13.087 6.991 -0.586 No H/Q in entry = 4 In of MODEL 18 1 H THR 11 H THR 11 -9.393 5.112 -0.755 2 HA THR 11 HA THR 11 -11.203 2.879 -0.198 3 HB THR 11 HB THR 11 -10.087 1.716 -2.179 4 HG1 THR 11 HG1 THR 11 -9.672 3.965 -3.581 5 HG21 THR 11 HG21 THR 11 -11.865 4.104 -2.692 6 HG22 THR 11 HG22 THR 11 -11.622 2.747 -3.795 7 HG23 THR 11 HG23 THR 11 -12.402 2.488 -2.234 No H/Q in entry = 7 In of MODEL 18 1 H HIS 12 H HIS 12 -8.069 2.493 -1.593 2 HA HIS 12 HA HIS 12 -7.288 0.603 0.283 3 HB2 HIS 12 HB2 HIS 12 -5.363 2.146 -1.432 4 HB3 HIS 12 HB3 HIS 12 -5.188 0.501 -0.833 5 HD1 HIS 12 HD1 HIS 12 -7.672 -0.883 -1.703 6 HD2 HIS 12 HD2 HIS 12 -5.799 1.965 -4.089 7 HE1 HIS 12 HE1 HIS 12 -8.463 -1.333 -4.048 8 HE2 HIS 12 HE2 HIS 12 -7.443 0.501 -5.443 No H/Q in entry = 8 In of MODEL 18 1 H LEU 13 H LEU 13 -6.723 4.071 0.248 2 HA LEU 13 HA LEU 13 -4.967 3.719 2.587 3 HB2 LEU 13 HB2 LEU 13 -5.005 5.821 0.463 4 HB3 LEU 13 HB3 LEU 13 -4.223 6.086 2.008 5 HG LEU 13 HG LEU 13 -3.499 4.029 -0.074 6 HD11 LEU 13 HD11 LEU 13 -2.686 6.288 -0.493 7 HD12 LEU 13 HD12 LEU 13 -1.966 6.335 1.116 8 HD13 LEU 13 HD13 LEU 13 -1.361 5.199 -0.088 9 HD21 LEU 13 HD21 LEU 13 -2.467 4.344 2.739 10 HD22 LEU 13 HD22 LEU 13 -3.270 2.934 2.045 11 HD23 LEU 13 HD23 LEU 13 -1.665 3.400 1.486 No H/Q in entry = 11 In of MODEL 18 1 H LYS 14 H LYS 14 -7.906 3.913 2.509 2 HA LYS 14 HA LYS 14 -8.726 6.477 3.389 3 HB2 LYS 14 HB2 LYS 14 -10.852 5.419 3.921 4 HB3 LYS 14 HB3 LYS 14 -10.278 4.920 2.342 5 HG2 LYS 14 HG2 LYS 14 -9.514 2.800 3.299 6 HG3 LYS 14 HG3 LYS 14 -10.115 3.308 4.881 7 HD2 LYS 14 HD2 LYS 14 -12.369 3.370 4.069 8 HD3 LYS 14 HD3 LYS 14 -11.832 3.089 2.415 9 HE2 LYS 14 HE2 LYS 14 -11.026 0.874 3.049 10 HE3 LYS 14 HE3 LYS 14 -11.547 1.157 4.711 11 HZ1 LYS 14 HZ1 LYS 14 -13.356 1.119 2.356 12 HZ2 LYS 14 HZ2 LYS 14 -13.137 -0.174 3.426 13 HZ3 LYS 14 HZ3 LYS 14 -13.819 1.274 3.976 No H/Q in entry = 13 In of MODEL 18 1 H TRP 15 H TRP 15 -7.213 3.894 4.992 2 HA TRP 15 HA TRP 15 -8.215 4.410 7.626 3 HB2 TRP 15 HB2 TRP 15 -6.368 2.882 8.328 4 HB3 TRP 15 HB3 TRP 15 -7.413 2.190 7.088 5 HD1 TRP 15 HD1 TRP 15 -6.395 1.975 4.611 6 HE1 TRP 15 HE1 TRP 15 -3.967 1.844 3.771 7 HE3 TRP 15 HE3 TRP 15 -3.997 3.669 8.796 8 HZ2 TRP 15 HZ2 TRP 15 -1.377 2.372 4.760 9 HZ3 TRP 15 HZ3 TRP 15 -1.542 3.821 8.768 10 HH2 TRP 15 HH2 TRP 15 -0.259 3.186 6.789 No H/Q in entry = 10 In of MODEL 18 1 H LEU 16 H LEU 16 -6.079 6.033 5.615 2 HA LEU 16 HA LEU 16 -4.283 7.036 7.631 3 HB2 LEU 16 HB2 LEU 16 -4.952 8.109 4.881 4 HB3 LEU 16 HB3 LEU 16 -3.675 8.717 5.907 5 HG LEU 16 HG LEU 16 -3.741 5.907 4.798 6 HD11 LEU 16 HD11 LEU 16 -3.599 7.627 3.029 7 HD12 LEU 16 HD12 LEU 16 -2.178 8.294 3.829 8 HD13 LEU 16 HD13 LEU 16 -2.131 6.660 3.166 9 HD21 LEU 16 HD21 LEU 16 -1.573 7.515 6.150 10 HD22 LEU 16 HD22 LEU 16 -2.372 6.077 6.788 11 HD23 LEU 16 HD23 LEU 16 -1.329 5.952 5.366 No H/Q in entry = 11 In of MODEL 18 1 H SER 17 H SER 17 -4.374 8.982 8.647 2 HA SER 17 HA SER 17 -7.003 10.153 8.927 3 HB2 SER 17 HB2 SER 17 -4.412 11.038 10.200 4 HB3 SER 17 HB3 SER 17 -6.043 11.452 10.720 5 HG SER 17 HG SER 17 -4.680 9.539 11.673 No H/Q in entry = 5 In of MODEL 18 1 H GLN 18 H GLN 18 -7.290 12.569 8.739 2 HA GLN 18 HA GLN 18 -6.721 13.333 6.127 3 HB2 GLN 18 HB2 GLN 18 -8.557 14.264 7.530 4 HB3 GLN 18 HB3 GLN 18 -7.359 15.190 8.422 5 HG2 GLN 18 HG2 GLN 18 -8.521 16.528 6.728 6 HG3 GLN 18 HG3 GLN 18 -6.783 16.437 6.445 7 HE21 GLN 18 HE21 GLN 18 -7.054 16.956 4.269 8 HE22 GLN 18 HE22 GLN 18 -7.674 15.814 3.125 No H/Q in entry = 8 In of MODEL 18 1 H GLU 19 H GLU 19 -5.086 14.296 9.132 2 HA GLU 19 HA GLU 19 -3.286 16.092 8.040 3 HB2 GLU 19 HB2 GLU 19 -3.006 14.203 10.373 4 HB3 GLU 19 HB3 GLU 19 -1.882 15.479 10.003 5 HG2 GLU 19 HG2 GLU 19 -3.688 17.129 10.276 6 HG3 GLU 19 HG3 GLU 19 -4.759 15.812 10.750 No H/Q in entry = 6 In of MODEL 18 1 H GLN 20 H GLN 20 -3.154 12.559 8.219 2 HA GLN 20 HA GLN 20 -0.468 12.385 7.256 3 HB2 GLN 20 HB2 GLN 20 -2.590 10.238 7.075 4 HB3 GLN 20 HB3 GLN 20 -0.848 10.016 7.077 5 HG2 GLN 20 HG2 GLN 20 -0.758 10.813 9.390 6 HG3 GLN 20 HG3 GLN 20 -2.511 10.996 9.384 7 HE21 GLN 20 HE21 GLN 20 0.132 8.802 9.573 8 HE22 GLN 20 HE22 GLN 20 -0.792 7.388 9.945 No H/Q in entry = 8 In of MODEL 18 1 H LYS 21 H LYS 21 -3.688 12.169 5.793 2 HA LYS 21 HA LYS 21 -2.900 11.577 3.177 3 HB2 LYS 21 HB2 LYS 21 -5.253 13.232 4.109 4 HB3 LYS 21 HB3 LYS 21 -5.072 12.533 2.506 5 HG2 LYS 21 HG2 LYS 21 -5.044 10.282 3.546 6 HG3 LYS 21 HG3 LYS 21 -5.369 11.043 5.103 7 HD2 LYS 21 HD2 LYS 21 -7.493 11.799 4.408 8 HD3 LYS 21 HD3 LYS 21 -7.147 11.456 2.712 9 HE2 LYS 21 HE2 LYS 21 -7.126 9.070 3.177 10 HE3 LYS 21 HE3 LYS 21 -7.401 9.384 4.892 11 HZ1 LYS 21 HZ1 LYS 21 -9.278 10.154 2.727 12 HZ2 LYS 21 HZ2 LYS 21 -9.431 8.762 3.666 13 HZ3 LYS 21 HZ3 LYS 21 -9.550 10.285 4.385 No H/Q in entry = 13 In of MODEL 18 1 H ASP 22 H ASP 22 -3.570 14.711 4.683 2 HA ASP 22 HA ASP 22 -2.831 16.319 2.489 3 HB2 ASP 22 HB2 ASP 22 -4.174 17.010 4.517 4 HB3 ASP 22 HB3 ASP 22 -2.659 17.069 5.411 No H/Q in entry = 4 In of MODEL 18 1 H GLU 23 H GLU 23 -0.955 15.018 5.220 2 HA GLU 23 HA GLU 23 1.508 16.182 4.707 3 HB2 GLU 23 HB2 GLU 23 0.501 14.352 6.448 4 HB3 GLU 23 HB3 GLU 23 1.495 13.328 5.419 5 HG2 GLU 23 HG2 GLU 23 3.436 14.442 5.978 6 HG3 GLU 23 HG3 GLU 23 2.553 15.849 6.567 No H/Q in entry = 6 In of MODEL 18 1 H LEU 24 H LEU 24 0.279 13.051 3.442 2 HA LEU 24 HA LEU 24 2.493 12.619 1.772 3 HB2 LEU 24 HB2 LEU 24 -0.236 11.470 2.092 4 HB3 LEU 24 HB3 LEU 24 0.687 11.050 0.665 5 HG LEU 24 HG LEU 24 2.417 10.079 1.993 6 HD11 LEU 24 HD11 LEU 24 2.158 11.756 3.884 7 HD12 LEU 24 HD12 LEU 24 0.977 10.614 4.527 8 HD13 LEU 24 HD13 LEU 24 2.650 10.103 4.264 9 HD21 LEU 24 HD21 LEU 24 -0.286 9.214 2.955 10 HD22 LEU 24 HD22 LEU 24 0.536 8.655 1.497 11 HD23 LEU 24 HD23 LEU 24 1.194 8.264 3.087 No H/Q in entry = 11 In of MODEL 18 1 H LEU 25 H LEU 25 -0.701 14.060 1.158 2 HA LEU 25 HA LEU 25 -0.432 14.392 -1.611 3 HB2 LEU 25 HB2 LEU 25 -1.909 16.088 0.401 4 HB3 LEU 25 HB3 LEU 25 -2.082 16.237 -1.333 5 HG LEU 25 HG LEU 25 -2.811 13.809 0.303 6 HD11 LEU 25 HD11 LEU 25 -4.336 15.673 0.644 7 HD12 LEU 25 HD12 LEU 25 -4.537 15.840 -1.099 8 HD13 LEU 25 HD13 LEU 25 -5.107 14.386 -0.281 9 HD21 LEU 25 HD21 LEU 25 -3.112 14.350 -2.647 10 HD22 LEU 25 HD22 LEU 25 -2.053 13.155 -1.904 11 HD23 LEU 25 HD23 LEU 25 -3.802 12.976 -1.789 No H/Q in entry = 11 In of MODEL 18 1 H LYS 26 H LYS 26 0.638 16.357 1.090 2 HA LYS 26 HA LYS 26 1.601 18.582 -0.370 3 HB2 LYS 26 HB2 LYS 26 1.217 18.513 2.105 4 HB3 LYS 26 HB3 LYS 26 2.639 17.492 2.250 5 HG2 LYS 26 HG2 LYS 26 3.339 19.669 2.796 6 HG3 LYS 26 HG3 LYS 26 3.945 19.360 1.170 7 HD2 LYS 26 HD2 LYS 26 3.036 21.593 1.277 8 HD3 LYS 26 HD3 LYS 26 2.001 20.593 0.256 9 HE2 LYS 26 HE2 LYS 26 0.416 20.325 2.057 10 HE3 LYS 26 HE3 LYS 26 1.478 21.186 3.169 11 HZ1 LYS 26 HZ1 LYS 26 0.262 22.376 0.739 12 HZ2 LYS 26 HZ2 LYS 26 -0.343 22.560 2.304 13 HZ3 LYS 26 HZ3 LYS 26 1.178 23.182 1.909 No H/Q in entry = 13 In of MODEL 18 1 H MET 27 H MET 27 3.204 15.645 0.819 2 HA MET 27 HA MET 27 5.722 16.155 -0.182 3 HB2 MET 27 HB2 MET 27 4.347 13.485 0.109 4 HB3 MET 27 HB3 MET 27 6.068 13.696 -0.171 5 HG2 MET 27 HG2 MET 27 5.826 15.227 1.990 6 HG3 MET 27 HG3 MET 27 4.470 14.137 2.274 7 HE1 MET 27 HE1 MET 27 5.731 11.608 0.654 8 HE2 MET 27 HE2 MET 27 6.461 10.664 1.954 9 HE3 MET 27 HE3 MET 27 4.851 11.360 2.163 No H/Q in entry = 9 In of MODEL 18 1 H LYS 28 H LYS 28 3.123 14.308 -1.830 2 HA LYS 28 HA LYS 28 4.534 13.822 -4.202 3 HB2 LYS 28 HB2 LYS 28 2.497 12.646 -3.713 4 HB3 LYS 28 HB3 LYS 28 1.577 14.146 -3.698 5 HG2 LYS 28 HG2 LYS 28 1.860 14.434 -6.042 6 HG3 LYS 28 HG3 LYS 28 3.016 13.104 -6.122 7 HD2 LYS 28 HD2 LYS 28 1.294 11.512 -5.579 8 HD3 LYS 28 HD3 LYS 28 0.126 12.810 -5.319 9 HE2 LYS 28 HE2 LYS 28 -0.129 11.699 -7.513 10 HE3 LYS 28 HE3 LYS 28 0.211 13.421 -7.642 11 HZ1 LYS 28 HZ1 LYS 28 2.210 11.250 -7.962 12 HZ2 LYS 28 HZ2 LYS 28 1.495 12.120 -9.225 13 HZ3 LYS 28 HZ3 LYS 28 2.511 12.906 -8.126 No H/Q in entry = 13 In of MODEL 18 1 H LYS 29 H LYS 29 2.507 16.524 -3.225 2 HA LYS 29 HA LYS 29 2.546 17.912 -5.663 3 HB2 LYS 29 HB2 LYS 29 0.912 18.339 -3.902 4 HB3 LYS 29 HB3 LYS 29 2.180 18.951 -2.850 5 HG2 LYS 29 HG2 LYS 29 2.565 20.803 -4.384 6 HG3 LYS 29 HG3 LYS 29 1.305 20.184 -5.453 7 HD2 LYS 29 HD2 LYS 29 -0.369 20.517 -3.748 8 HD3 LYS 29 HD3 LYS 29 0.866 20.990 -2.578 9 HE2 LYS 29 HE2 LYS 29 0.204 22.466 -5.122 10 HE3 LYS 29 HE3 LYS 29 -0.325 22.928 -3.505 11 HZ1 LYS 29 HZ1 LYS 29 1.994 23.199 -2.868 12 HZ2 LYS 29 HZ2 LYS 29 2.494 22.766 -4.422 13 HZ3 LYS 29 HZ3 LYS 29 1.613 24.188 -4.186 No H/Q in entry = 13 In of MODEL 18 1 H ASP 30 H ASP 30 4.799 17.901 -2.962 2 HA ASP 30 HA ASP 30 6.169 20.238 -3.999 3 HB2 ASP 30 HB2 ASP 30 5.796 19.874 -1.538 4 HB3 ASP 30 HB3 ASP 30 6.923 18.526 -1.618 No H/Q in entry = 4 In of MODEL 18 1 H GLY 31 H GLY 31 6.198 17.074 -4.752 2 HA2 GLY 31 HA2 GLY 31 8.725 17.461 -6.145 3 HA3 GLY 31 HA3 GLY 31 7.511 16.247 -6.512 No H/Q in entry = 3 In of MODEL 18 1 H LYS 32 H LYS 32 7.485 15.653 -3.518 2 HA LYS 32 HA LYS 32 9.933 14.328 -2.994 3 HB2 LYS 32 HB2 LYS 32 7.140 13.837 -1.935 4 HB3 LYS 32 HB3 LYS 32 8.598 13.089 -1.291 5 HG2 LYS 32 HG2 LYS 32 8.342 16.069 -1.444 6 HG3 LYS 32 HG3 LYS 32 7.633 15.163 -0.107 7 HD2 LYS 32 HD2 LYS 32 10.506 14.789 -0.878 8 HD3 LYS 32 HD3 LYS 32 10.008 16.113 0.177 9 HE2 LYS 32 HE2 LYS 32 9.021 14.524 1.732 10 HE3 LYS 32 HE3 LYS 32 9.453 13.190 0.667 11 HZ1 LYS 32 HZ1 LYS 32 11.484 15.021 1.796 12 HZ2 LYS 32 HZ2 LYS 32 10.976 13.623 2.604 13 HZ3 LYS 32 HZ3 LYS 32 11.717 13.499 1.085 No H/Q in entry = 13 In of MODEL 18 1 H ALA 33 H ALA 33 10.431 12.184 -3.307 2 HA ALA 33 HA ALA 33 9.442 11.046 -5.738 3 HB1 ALA 33 HB1 ALA 33 11.795 10.834 -5.008 4 HB2 ALA 33 HB2 ALA 33 11.047 9.275 -5.358 5 HB3 ALA 33 HB3 ALA 33 11.263 9.792 -3.685 No H/Q in entry = 5 In of MODEL 18 1 H LYS 34 H LYS 34 8.304 9.072 -6.018 2 HA LYS 34 HA LYS 34 6.195 8.536 -4.299 3 HB2 LYS 34 HB2 LYS 34 6.353 7.756 -6.652 4 HB3 LYS 34 HB3 LYS 34 7.535 6.555 -6.149 5 HG2 LYS 34 HG2 LYS 34 5.849 5.537 -4.680 6 HG3 LYS 34 HG3 LYS 34 4.664 6.714 -5.248 7 HD2 LYS 34 HD2 LYS 34 6.115 4.708 -6.978 8 HD3 LYS 34 HD3 LYS 34 4.456 4.552 -6.403 9 HE2 LYS 34 HE2 LYS 34 3.855 6.599 -7.610 10 HE3 LYS 34 HE3 LYS 34 5.511 6.739 -8.192 11 HZ1 LYS 34 HZ1 LYS 34 5.221 4.556 -9.281 12 HZ2 LYS 34 HZ2 LYS 34 3.592 4.569 -8.820 13 HZ3 LYS 34 HZ3 LYS 34 4.171 5.744 -9.882 No H/Q in entry = 13 In of MODEL 18 1 H LYS 35 H LYS 35 9.447 7.201 -4.354 2 HA LYS 35 HA LYS 35 9.115 5.121 -2.514 3 HB2 LYS 35 HB2 LYS 35 11.574 6.828 -2.940 4 HB3 LYS 35 HB3 LYS 35 11.535 5.234 -2.196 5 HG2 LYS 35 HG2 LYS 35 10.879 5.903 -5.056 6 HG3 LYS 35 HG3 LYS 35 12.304 5.046 -4.467 7 HD2 LYS 35 HD2 LYS 35 11.039 3.165 -3.837 8 HD3 LYS 35 HD3 LYS 35 9.519 4.047 -3.957 9 HE2 LYS 35 HE2 LYS 35 10.073 4.301 -6.434 10 HE3 LYS 35 HE3 LYS 35 11.283 3.046 -6.162 11 HZ1 LYS 35 HZ1 LYS 35 8.459 2.689 -5.353 12 HZ2 LYS 35 HZ2 LYS 35 8.989 2.317 -6.928 13 HZ3 LYS 35 HZ3 LYS 35 9.647 1.504 -5.593 No H/Q in entry = 13 In of MODEL 18 1 H GLU 36 H GLU 36 9.002 8.504 -1.977 2 HA GLU 36 HA GLU 36 9.702 8.260 0.834 3 HB2 GLU 36 HB2 GLU 36 8.823 10.706 -0.695 4 HB3 GLU 36 HB3 GLU 36 9.576 10.664 0.896 5 HG2 GLU 36 HG2 GLU 36 11.568 9.610 -0.158 6 HG3 GLU 36 HG3 GLU 36 10.814 9.887 -1.717 No H/Q in entry = 6 In of MODEL 18 1 H LEU 37 H LEU 37 6.976 8.667 -1.269 2 HA LEU 37 HA LEU 37 4.985 8.894 0.710 3 HB2 LEU 37 HB2 LEU 37 5.007 7.816 -2.104 4 HB3 LEU 37 HB3 LEU 37 3.547 7.985 -1.155 5 HG LEU 37 HG LEU 37 3.939 9.778 -2.805 6 HD11 LEU 37 HD11 LEU 37 2.475 10.119 -0.900 7 HD12 LEU 37 HD12 LEU 37 3.855 10.647 0.063 8 HD13 LEU 37 HD13 LEU 37 3.320 11.613 -1.311 9 HD21 LEU 37 HD21 LEU 37 6.196 10.581 -1.021 10 HD22 LEU 37 HD22 LEU 37 6.301 10.085 -2.710 11 HD23 LEU 37 HD23 LEU 37 5.494 11.592 -2.280 No H/Q in entry = 11 In of MODEL 18 1 H GLU 38 H GLU 38 6.382 6.175 -1.056 2 HA GLU 38 HA GLU 38 4.966 4.072 0.134 3 HB2 GLU 38 HB2 GLU 38 7.807 4.133 -0.903 4 HB3 GLU 38 HB3 GLU 38 6.910 2.671 -0.532 5 HG2 GLU 38 HG2 GLU 38 5.348 3.113 -2.296 6 HG3 GLU 38 HG3 GLU 38 6.079 4.690 -2.600 No H/Q in entry = 6 In of MODEL 18 1 H ALA 39 H ALA 39 7.361 6.138 1.383 2 HA ALA 39 HA ALA 39 8.266 4.260 3.406 3 HB1 ALA 39 HB1 ALA 39 9.102 7.116 2.938 4 HB2 ALA 39 HB2 ALA 39 9.888 5.946 3.997 5 HB3 ALA 39 HB3 ALA 39 9.888 5.693 2.253 No H/Q in entry = 5 In of MODEL 18 1 H LYS 40 H LYS 40 6.476 7.326 3.282 2 HA LYS 40 HA LYS 40 6.113 7.543 6.058 3 HB2 LYS 40 HB2 LYS 40 4.528 8.563 3.704 4 HB3 LYS 40 HB3 LYS 40 4.141 8.960 5.365 5 HG2 LYS 40 HG2 LYS 40 6.773 9.544 4.052 6 HG3 LYS 40 HG3 LYS 40 5.448 10.695 4.186 7 HD2 LYS 40 HD2 LYS 40 5.555 10.501 6.635 8 HD3 LYS 40 HD3 LYS 40 6.917 9.391 6.474 9 HE2 LYS 40 HE2 LYS 40 6.902 12.193 5.378 10 HE3 LYS 40 HE3 LYS 40 7.533 11.773 6.971 11 HZ1 LYS 40 HZ1 LYS 40 8.516 10.647 4.403 12 HZ2 LYS 40 HZ2 LYS 40 9.273 11.883 5.270 13 HZ3 LYS 40 HZ3 LYS 40 9.151 10.336 5.936 No H/Q in entry = 13 In of MODEL 18 1 H ILE 41 H ILE 41 4.055 6.191 3.477 2 HA ILE 41 HA ILE 41 1.930 5.378 5.065 3 HB ILE 41 HB ILE 41 2.986 4.103 2.543 4 HG12 ILE 41 HG12 ILE 41 0.817 6.167 2.949 5 HG13 ILE 41 HG13 ILE 41 2.450 6.526 2.397 6 HG21 ILE 41 HG21 ILE 41 0.274 3.901 3.846 7 HG22 ILE 41 HG22 ILE 41 0.705 3.244 2.266 8 HG23 ILE 41 HG23 ILE 41 1.470 2.611 3.724 9 HD11 ILE 41 HD11 ILE 41 2.073 5.138 0.428 10 HD12 ILE 41 HD12 ILE 41 0.425 4.826 0.984 11 HD13 ILE 41 HD13 ILE 41 0.914 6.463 0.549 No H/Q in entry = 11 In of MODEL 18 1 H LEU 42 H LEU 42 4.888 3.611 4.188 2 HA LEU 42 HA LEU 42 4.132 1.199 5.449 3 HB2 LEU 42 HB2 LEU 42 6.808 2.310 4.661 4 HB3 LEU 42 HB3 LEU 42 6.634 0.740 5.406 5 HG LEU 42 HG LEU 42 5.597 1.621 2.723 6 HD11 LEU 42 HD11 LEU 42 7.945 1.005 2.810 7 HD12 LEU 42 HD12 LEU 42 7.519 -0.543 3.539 8 HD13 LEU 42 HD13 LEU 42 7.008 -0.174 1.893 9 HD21 LEU 42 HD21 LEU 42 5.008 -0.901 4.265 10 HD22 LEU 42 HD22 LEU 42 3.852 0.271 3.637 11 HD23 LEU 42 HD23 LEU 42 4.772 -0.746 2.525 No H/Q in entry = 11 In of MODEL 18 1 H HIS 43 H HIS 43 5.840 4.055 6.591 2 HA HIS 43 HA HIS 43 6.417 3.034 9.179 3 HB2 HIS 43 HB2 HIS 43 7.525 5.054 8.286 4 HB3 HIS 43 HB3 HIS 43 5.986 5.909 8.330 5 HD1 HIS 43 HD1 HIS 43 8.527 4.363 10.674 6 HD2 HIS 43 HD2 HIS 43 5.358 7.052 10.740 7 HE1 HIS 43 HE1 HIS 43 8.542 5.366 12.975 8 HE2 HIS 43 HE2 HIS 43 6.551 6.908 13.029 No H/Q in entry = 8 In of MODEL 18 1 H TYR 44 H TYR 44 3.684 4.929 7.868 2 HA TYR 44 HA TYR 44 2.279 5.175 10.308 3 HB2 TYR 44 HB2 TYR 44 1.157 5.146 7.494 4 HB3 TYR 44 HB3 TYR 44 0.329 5.744 8.930 5 HD1 TYR 44 HD1 TYR 44 2.839 7.034 10.146 6 HD2 TYR 44 HD2 TYR 44 1.090 7.225 6.275 7 HE1 TYR 44 HE1 TYR 44 3.876 9.211 9.799 8 HE2 TYR 44 HE2 TYR 44 2.140 9.420 5.900 9 HH TYR 44 HH TYR 44 3.008 11.365 7.547 No H/Q in entry = 9 In of MODEL 18 1 H TYR 45 H TYR 45 2.413 2.743 7.847 2 HA TYR 45 HA TYR 45 0.324 1.069 8.651 3 HB2 TYR 45 HB2 TYR 45 1.402 0.860 6.488 4 HB3 TYR 45 HB3 TYR 45 2.952 0.545 7.250 5 HD1 TYR 45 HD1 TYR 45 -0.480 -0.836 7.091 6 HD2 TYR 45 HD2 TYR 45 3.679 -1.627 7.398 7 HE1 TYR 45 HE1 TYR 45 -0.943 -3.239 6.987 8 HE2 TYR 45 HE2 TYR 45 3.235 -4.041 7.291 9 HH TYR 45 HH TYR 45 0.104 -5.297 6.486 No H/Q in entry = 9 In of MODEL 18 1 H ASP 46 H ASP 46 3.755 1.175 9.571 2 HA ASP 46 HA ASP 46 3.528 -1.195 11.155 3 HB2 ASP 46 HB2 ASP 46 5.646 -0.665 10.068 4 HB3 ASP 46 HB3 ASP 46 5.761 0.840 10.978 No H/Q in entry = 4 In of MODEL 18 1 H GLU 47 H GLU 47 2.963 2.153 11.828 2 HA GLU 47 HA GLU 47 3.341 1.775 14.675 3 HB2 GLU 47 HB2 GLU 47 2.618 4.149 14.831 4 HB3 GLU 47 HB3 GLU 47 4.021 3.905 13.800 5 HG2 GLU 47 HG2 GLU 47 2.761 4.199 11.847 6 HG3 GLU 47 HG3 GLU 47 1.237 4.055 12.715 No H/Q in entry = 6 In of MODEL 18 1 H LEU 48 H LEU 48 1.106 0.664 12.701 2 HA LEU 48 HA LEU 48 -1.331 1.647 13.786 3 HB2 LEU 48 HB2 LEU 48 -0.590 -0.650 12.009 4 HB3 LEU 48 HB3 LEU 48 -2.241 -0.385 12.515 5 HG LEU 48 HG LEU 48 -0.575 1.578 10.966 6 HD11 LEU 48 HD11 LEU 48 -1.197 -0.383 9.654 7 HD12 LEU 48 HD12 LEU 48 -2.884 -0.158 10.119 8 HD13 LEU 48 HD13 LEU 48 -2.074 1.052 9.124 9 HD21 LEU 48 HD21 LEU 48 -3.396 1.629 11.992 10 HD22 LEU 48 HD22 LEU 48 -2.102 2.780 12.316 11 HD23 LEU 48 HD23 LEU 48 -2.820 2.693 10.706 No H/Q in entry = 11 In of MODEL 18 1 H GLU 49 H GLU 49 -2.654 -0.878 14.037 2 HA GLU 49 HA GLU 49 -1.793 -2.098 16.420 3 HB2 GLU 49 HB2 GLU 49 -3.499 -0.987 17.927 4 HB3 GLU 49 HB3 GLU 49 -2.080 -0.033 17.520 5 HG2 GLU 49 HG2 GLU 49 -3.386 1.124 15.795 6 HG3 GLU 49 HG3 GLU 49 -4.808 0.198 16.275 No H/Q in entry = 6 In of MODEL 18 1 H GLY 50 H GLY 50 -2.708 -4.011 16.260 2 HA2 GLY 50 HA2 GLY 50 -5.344 -4.514 16.813 3 HA3 GLY 50 HA3 GLY 50 -4.276 -5.665 16.035 No H/Q in entry = 3 In of MODEL 18 1 H ASP 51 H ASP 51 -7.112 -3.968 15.751 2 HA ASP 51 HA ASP 51 -7.645 -5.126 13.213 3 HB2 ASP 51 HB2 ASP 51 -9.204 -3.329 15.039 4 HB3 ASP 51 HB3 ASP 51 -9.785 -3.667 13.413 No H/Q in entry = 4 In of MODEL 18 1 H ALA 52 H ALA 52 -6.570 -1.955 14.238 2 HA ALA 52 HA ALA 52 -7.122 -0.572 11.839 3 HB1 ALA 52 HB1 ALA 52 -4.851 -0.171 13.800 4 HB2 ALA 52 HB2 ALA 52 -5.309 0.962 12.525 5 HB3 ALA 52 HB3 ALA 52 -6.425 0.621 13.844 No H/Q in entry = 5 In of MODEL 18 1 H LYS 53 H LYS 53 -4.417 -2.482 12.955 2 HA LYS 53 HA LYS 53 -2.728 -2.205 10.708 3 HB2 LYS 53 HB2 LYS 53 -2.046 -3.011 12.980 4 HB3 LYS 53 HB3 LYS 53 -2.888 -4.517 12.644 5 HG2 LYS 53 HG2 LYS 53 -0.584 -4.867 12.242 6 HG3 LYS 53 HG3 LYS 53 -1.386 -4.828 10.676 7 HD2 LYS 53 HD2 LYS 53 -0.651 -2.549 10.327 8 HD3 LYS 53 HD3 LYS 53 0.053 -2.505 11.944 9 HE2 LYS 53 HE2 LYS 53 0.920 -4.347 9.724 10 HE3 LYS 53 HE3 LYS 53 1.736 -2.852 10.180 11 HZ1 LYS 53 HZ1 LYS 53 2.088 -3.815 12.401 12 HZ2 LYS 53 HZ2 LYS 53 1.406 -5.269 11.869 13 HZ3 LYS 53 HZ3 LYS 53 2.842 -4.707 11.178 No H/Q in entry = 13 In of MODEL 18 1 H LYS 54 H LYS 54 -4.788 -4.872 11.771 2 HA LYS 54 HA LYS 54 -4.623 -6.511 9.563 3 HB2 LYS 54 HB2 LYS 54 -5.887 -7.724 10.901 4 HB3 LYS 54 HB3 LYS 54 -6.182 -6.322 11.914 5 HG2 LYS 54 HG2 LYS 54 -8.186 -5.822 10.845 6 HG3 LYS 54 HG3 LYS 54 -7.807 -6.847 9.448 7 HD2 LYS 54 HD2 LYS 54 -7.905 -8.819 10.890 8 HD3 LYS 54 HD3 LYS 54 -8.300 -7.799 12.271 9 HE2 LYS 54 HE2 LYS 54 -9.969 -8.122 9.779 10 HE3 LYS 54 HE3 LYS 54 -10.293 -8.874 11.340 11 HZ1 LYS 54 HZ1 LYS 54 -10.490 -6.616 12.291 12 HZ2 LYS 54 HZ2 LYS 54 -10.317 -5.970 10.732 13 HZ3 LYS 54 HZ3 LYS 54 -11.649 -6.940 11.101 No H/Q in entry = 13 In of MODEL 18 1 H GLU 55 H GLU 55 -6.905 -3.803 10.065 2 HA GLU 55 HA GLU 55 -8.217 -4.146 7.607 3 HB2 GLU 55 HB2 GLU 55 -8.060 -2.036 9.682 4 HB3 GLU 55 HB3 GLU 55 -8.507 -1.482 8.079 5 HG2 GLU 55 HG2 GLU 55 -10.183 -3.507 8.255 6 HG3 GLU 55 HG3 GLU 55 -9.976 -3.204 9.977 No H/Q in entry = 6 In of MODEL 18 1 H ALA 56 H ALA 56 -5.533 -1.970 8.537 2 HA ALA 56 HA ALA 56 -5.393 -0.779 6.021 3 HB1 ALA 56 HB1 ALA 56 -3.124 -0.067 6.630 4 HB2 ALA 56 HB2 ALA 56 -3.123 -1.213 7.971 5 HB3 ALA 56 HB3 ALA 56 -4.239 0.153 7.977 No H/Q in entry = 5 In of MODEL 18 1 H THR 57 H THR 57 -3.491 -3.481 7.359 2 HA THR 57 HA THR 57 -1.984 -4.198 5.213 3 HB THR 57 HB THR 57 -3.454 -6.058 7.098 4 HG1 THR 57 HG1 THR 57 -0.764 -5.133 7.269 5 HG21 THR 57 HG21 THR 57 -1.006 -6.530 5.398 6 HG22 THR 57 HG22 THR 57 -1.650 -7.649 6.602 7 HG23 THR 57 HG23 THR 57 -2.594 -7.257 5.165 No H/Q in entry = 7 In of MODEL 18 1 H GLU 58 H GLU 58 -5.324 -5.169 5.858 2 HA GLU 58 HA GLU 58 -5.747 -6.700 3.526 3 HB2 GLU 58 HB2 GLU 58 -7.472 -5.413 5.581 4 HB3 GLU 58 HB3 GLU 58 -8.229 -5.932 4.077 5 HG2 GLU 58 HG2 GLU 58 -7.344 -8.199 4.459 6 HG3 GLU 58 HG3 GLU 58 -6.681 -7.650 5.996 No H/Q in entry = 6 In of MODEL 18 1 H HIS 59 H HIS 59 -6.033 -3.226 4.109 2 HA HIS 59 HA HIS 59 -7.527 -2.779 1.687 3 HB2 HIS 59 HB2 HIS 59 -6.174 -0.821 3.561 4 HB3 HIS 59 HB3 HIS 59 -7.208 -0.366 2.210 5 HD1 HIS 59 HD1 HIS 59 -9.300 -2.767 2.908 6 HD2 HIS 59 HD2 HIS 59 -7.966 0.255 5.431 7 HE1 HIS 59 HE1 HIS 59 -11.041 -2.571 4.702 8 HE2 HIS 59 HE2 HIS 59 -10.126 -0.878 6.323 No H/Q in entry = 8 In of MODEL 18 1 H LEU 60 H LEU 60 -4.201 -2.143 2.775 2 HA LEU 60 HA LEU 60 -3.155 -1.345 0.357 3 HB2 LEU 60 HB2 LEU 60 -1.999 -2.736 2.742 4 HB3 LEU 60 HB3 LEU 60 -1.014 -2.407 1.327 5 HG LEU 60 HG LEU 60 -1.657 -0.020 1.549 6 HD11 LEU 60 HD11 LEU 60 -3.644 -0.245 2.817 7 HD12 LEU 60 HD12 LEU 60 -2.723 -0.856 4.195 8 HD13 LEU 60 HD13 LEU 60 -2.491 0.806 3.647 9 HD21 LEU 60 HD21 LEU 60 -0.161 -1.246 3.847 10 HD22 LEU 60 HD22 LEU 60 0.517 -0.769 2.291 11 HD23 LEU 60 HD23 LEU 60 -0.101 0.458 3.395 No H/Q in entry = 11 In of MODEL 18 1 H LYS 61 H LYS 61 -3.866 -4.602 1.573 2 HA LYS 61 HA LYS 61 -2.596 -6.074 -0.445 3 HB2 LYS 61 HB2 LYS 61 -4.993 -6.608 1.284 4 HB3 LYS 61 HB3 LYS 61 -4.578 -7.718 -0.012 5 HG2 LYS 61 HG2 LYS 61 -2.384 -8.083 1.000 6 HG3 LYS 61 HG3 LYS 61 -2.798 -6.956 2.296 7 HD2 LYS 61 HD2 LYS 61 -4.629 -8.394 2.993 8 HD3 LYS 61 HD3 LYS 61 -4.295 -9.498 1.659 9 HE2 LYS 61 HE2 LYS 61 -2.110 -9.996 2.603 10 HE3 LYS 61 HE3 LYS 61 -2.399 -8.858 3.914 11 HZ1 LYS 61 HZ1 LYS 61 -4.256 -10.236 4.635 12 HZ2 LYS 61 HZ2 LYS 61 -3.952 -11.331 3.384 13 HZ3 LYS 61 HZ3 LYS 61 -2.814 -11.120 4.616 No H/Q in entry = 13 In of MODEL 18 1 H GLY 62 H GLY 62 -6.010 -5.066 -0.220 2 HA2 GLY 62 HA2 GLY 62 -7.498 -4.443 -1.845 3 HA3 GLY 62 HA3 GLY 62 -6.789 -5.735 -2.803 No H/Q in entry = 3 In of MODEL 18 1 H GLY 63 H GLY 63 -5.271 -2.756 -1.617 2 HA2 GLY 63 HA2 GLY 63 -3.990 -1.210 -2.717 3 HA3 GLY 63 HA3 GLY 63 -5.269 -1.243 -3.920 No H/Q in entry = 3 In of MODEL 18 1 H CYS 64 H CYS 64 -2.592 -3.403 -2.930 2 HA CYS 64 HA CYS 64 -1.372 -3.096 -5.493 3 HB2 CYS 64 HB2 CYS 64 0.307 -4.670 -4.729 4 HB3 CYS 64 HB3 CYS 64 -0.011 -3.460 -3.490 No H/Q in entry = 4 In of MODEL 18 1 H ARG 65 H ARG 65 -3.661 -5.306 -4.120 2 HA ARG 65 HA ARG 65 -3.656 -7.354 -6.013 3 HB2 ARG 65 HB2 ARG 65 -5.141 -7.318 -4.043 4 HB3 ARG 65 HB3 ARG 65 -6.045 -5.987 -4.747 5 HG2 ARG 65 HG2 ARG 65 -6.516 -7.561 -6.697 6 HG3 ARG 65 HG3 ARG 65 -5.935 -8.847 -5.635 7 HD2 ARG 65 HD2 ARG 65 -8.310 -8.753 -5.419 8 HD3 ARG 65 HD3 ARG 65 -7.614 -8.087 -3.941 9 HE ARG 65 HE ARG 65 -8.219 -6.087 -5.921 10 HH11 ARG 65 HH11 ARG 65 -9.547 -7.980 -3.282 11 HH12 ARG 65 HH12 ARG 65 -10.830 -6.855 -2.961 12 HH21 ARG 65 HH21 ARG 65 -9.894 -4.629 -5.511 13 HH22 ARG 65 HH22 ARG 65 -11.036 -4.948 -4.239 No H/Q in entry = 13 In of MODEL 18 1 H GLU 66 H GLU 66 -5.331 -4.208 -6.108 2 HA GLU 66 HA GLU 66 -6.373 -4.433 -8.704 3 HB2 GLU 66 HB2 GLU 66 -5.482 -1.909 -7.291 4 HB3 GLU 66 HB3 GLU 66 -6.579 -1.995 -8.663 5 HG2 GLU 66 HG2 GLU 66 -7.090 -3.091 -5.906 6 HG3 GLU 66 HG3 GLU 66 -7.785 -1.627 -6.597 No H/Q in entry = 6 In of MODEL 18 1 H ILE 67 H ILE 67 -3.246 -3.391 -7.505 2 HA ILE 67 HA ILE 67 -2.204 -2.523 -9.991 3 HB ILE 67 HB ILE 67 -0.777 -3.530 -7.531 4 HG12 ILE 67 HG12 ILE 67 -1.350 -0.743 -8.558 5 HG13 ILE 67 HG13 ILE 67 -2.131 -1.516 -7.183 6 HG21 ILE 67 HG21 ILE 67 0.658 -3.765 -9.494 7 HG22 ILE 67 HG22 ILE 67 0.347 -2.083 -9.929 8 HG23 ILE 67 HG23 ILE 67 1.226 -2.460 -8.450 9 HD11 ILE 67 HD11 ILE 67 0.006 -1.570 -6.010 10 HD12 ILE 67 HD12 ILE 67 0.776 -0.785 -7.388 11 HD13 ILE 67 HD13 ILE 67 -0.456 0.068 -6.462 No H/Q in entry = 11 In of MODEL 18 1 H LEU 68 H LEU 68 -2.060 -5.640 -8.293 2 HA LEU 68 HA LEU 68 -0.485 -7.014 -10.184 3 HB2 LEU 68 HB2 LEU 68 -1.210 -7.689 -7.798 4 HB3 LEU 68 HB3 LEU 68 -2.674 -8.286 -8.555 5 HG LEU 68 HG LEU 68 -1.319 -9.825 -9.929 6 HD11 LEU 68 HD11 LEU 68 0.970 -8.766 -8.276 7 HD12 LEU 68 HD12 LEU 68 1.044 -10.160 -9.351 8 HD13 LEU 68 HD13 LEU 68 0.748 -8.554 -10.012 9 HD21 LEU 68 HD21 LEU 68 -0.901 -9.997 -6.949 10 HD22 LEU 68 HD22 LEU 68 -2.266 -10.635 -7.863 11 HD23 LEU 68 HD23 LEU 68 -0.659 -11.324 -8.083 No H/Q in entry = 11 In of MODEL 18 1 H LYS 69 H LYS 69 -3.865 -6.238 -9.999 2 HA LYS 69 HA LYS 69 -4.762 -7.780 -12.170 3 HB2 LYS 69 HB2 LYS 69 -5.781 -5.183 -11.029 4 HB3 LYS 69 HB3 LYS 69 -6.574 -6.006 -12.364 5 HG2 LYS 69 HG2 LYS 69 -6.919 -7.970 -10.950 6 HG3 LYS 69 HG3 LYS 69 -6.121 -7.145 -9.611 7 HD2 LYS 69 HD2 LYS 69 -8.522 -6.987 -9.353 8 HD3 LYS 69 HD3 LYS 69 -7.855 -5.390 -9.695 9 HE2 LYS 69 HE2 LYS 69 -9.842 -5.639 -10.990 10 HE3 LYS 69 HE3 LYS 69 -8.473 -5.736 -12.091 11 HZ1 LYS 69 HZ1 LYS 69 -8.685 -8.197 -11.937 12 HZ2 LYS 69 HZ2 LYS 69 -10.124 -7.978 -11.081 13 HZ3 LYS 69 HZ3 LYS 69 -9.998 -7.432 -12.682 No H/Q in entry = 13 In of MODEL 18 1 H HIS 70 H HIS 70 -2.574 -5.251 -12.124 2 HA HIS 70 HA HIS 70 -3.157 -4.453 -14.881 3 HB2 HIS 70 HB2 HIS 70 -2.985 -2.598 -13.212 4 HB3 HIS 70 HB3 HIS 70 -1.330 -3.093 -12.884 5 HD1 HIS 70 HD1 HIS 70 -3.401 -1.156 -15.248 6 HD2 HIS 70 HD2 HIS 70 0.492 -2.612 -15.040 7 HE1 HIS 70 HE1 HIS 70 -2.127 0.070 -17.033 8 HE2 HIS 70 HE2 HIS 70 0.173 -0.957 -17.009 No H/Q in entry = 8 In of MODEL 18 1 H VAL 71 H VAL 71 -0.530 -5.297 -12.647 2 HA VAL 71 HA VAL 71 1.538 -5.404 -14.504 3 HB VAL 71 HB VAL 71 1.639 -7.281 -12.196 4 HG11 VAL 71 HG11 VAL 71 3.552 -6.933 -13.637 5 HG12 VAL 71 HG12 VAL 71 3.504 -5.204 -13.274 6 HG13 VAL 71 HG13 VAL 71 3.871 -6.361 -11.996 7 HG21 VAL 71 HG21 VAL 71 1.632 -4.289 -11.854 8 HG22 VAL 71 HG22 VAL 71 0.476 -5.434 -11.169 9 HG23 VAL 71 HG23 VAL 71 2.159 -5.457 -10.638 No H/Q in entry = 9 In of MODEL 18 1 H VAL 72 H VAL 72 -0.161 -8.162 -13.001 2 HA VAL 72 HA VAL 72 1.011 -9.888 -15.034 3 HB VAL 72 HB VAL 72 0.280 -11.756 -13.730 4 HG11 VAL 72 HG11 VAL 72 1.337 -9.581 -11.939 5 HG12 VAL 72 HG12 VAL 72 1.382 -11.309 -11.585 6 HG13 VAL 72 HG13 VAL 72 2.289 -10.664 -12.955 7 HG21 VAL 72 HG21 VAL 72 -1.951 -10.940 -13.113 8 HG22 VAL 72 HG22 VAL 72 -1.070 -11.543 -11.709 9 HG23 VAL 72 HG23 VAL 72 -1.218 -9.805 -11.979 No H/Q in entry = 9 In of MODEL 18 1 H GLY 73 H GLY 73 -1.748 -8.115 -14.523 2 HA2 GLY 73 HA2 GLY 73 -3.057 -9.301 -16.813 3 HA3 GLY 73 HA3 GLY 73 -3.538 -7.832 -15.977 No H/Q in entry = 3 In of MODEL 18 1 H GLU 74 H GLU 74 -5.712 -8.697 -16.165 2 HA GLU 74 HA GLU 74 -6.576 -9.992 -13.811 3 HB2 GLU 74 HB2 GLU 74 -8.070 -9.613 -16.415 4 HB3 GLU 74 HB3 GLU 74 -8.793 -10.001 -14.858 5 HG2 GLU 74 HG2 GLU 74 -7.907 -7.864 -13.973 6 HG3 GLU 74 HG3 GLU 74 -7.341 -7.472 -15.593 No H/Q in entry = 6 In of MODEL 18 1 H GLU 75 H GLU 75 -5.627 -11.087 -16.932 2 HA GLU 75 HA GLU 75 -6.397 -13.740 -17.072 3 HB2 GLU 75 HB2 GLU 75 -3.693 -12.539 -17.668 4 HB3 GLU 75 HB3 GLU 75 -4.279 -14.089 -18.255 5 HG2 GLU 75 HG2 GLU 75 -6.029 -12.993 -19.504 6 HG3 GLU 75 HG3 GLU 75 -5.533 -11.427 -18.862 No H/Q in entry = 6 In of MODEL 18 1 H LYS 76 H LYS 76 -3.347 -12.612 -15.634 2 HA LYS 76 HA LYS 76 -2.853 -15.190 -14.511 3 HB2 LYS 76 HB2 LYS 76 -1.072 -13.696 -15.353 4 HB3 LYS 76 HB3 LYS 76 -1.409 -12.599 -14.025 5 HG2 LYS 76 HG2 LYS 76 0.526 -13.987 -13.548 6 HG3 LYS 76 HG3 LYS 76 -0.787 -14.315 -12.419 7 HD2 LYS 76 HD2 LYS 76 0.312 -16.378 -13.204 8 HD3 LYS 76 HD3 LYS 76 -1.393 -16.313 -13.660 9 HE2 LYS 76 HE2 LYS 76 -0.792 -15.602 -15.897 10 HE3 LYS 76 HE3 LYS 76 0.904 -15.551 -15.451 11 HZ1 LYS 76 HZ1 LYS 76 0.751 -17.970 -15.011 12 HZ2 LYS 76 HZ2 LYS 76 -0.822 -17.952 -15.635 13 HZ3 LYS 76 HZ3 LYS 76 0.490 -17.560 -16.628 No H/Q in entry = 13 In of MODEL 18 1 H ALA 77 H ALA 77 -3.967 -12.080 -13.306 2 HA ALA 77 HA ALA 77 -3.837 -12.641 -10.556 3 HB1 ALA 77 HB1 ALA 77 -5.451 -10.835 -10.281 4 HB2 ALA 77 HB2 ALA 77 -5.801 -10.871 -12.009 5 HB3 ALA 77 HB3 ALA 77 -4.203 -10.387 -11.444 No H/Q in entry = 5 In of MODEL 18 1 H ALA 78 H ALA 78 -6.081 -13.565 -13.044 2 HA ALA 78 HA ALA 78 -8.116 -14.584 -11.336 3 HB1 ALA 78 HB1 ALA 78 -8.744 -15.863 -13.459 4 HB2 ALA 78 HB2 ALA 78 -7.406 -15.000 -14.235 5 HB3 ALA 78 HB3 ALA 78 -8.760 -14.104 -13.545 No H/Q in entry = 5 In of MODEL 18 1 H GLU 79 H GLU 79 -5.216 -15.882 -12.820 2 HA GLU 79 HA GLU 79 -5.688 -18.602 -12.105 3 HB2 GLU 79 HB2 GLU 79 -3.033 -17.307 -12.722 4 HB3 GLU 79 HB3 GLU 79 -3.458 -19.008 -12.885 5 HG2 GLU 79 HG2 GLU 79 -5.123 -18.346 -14.611 6 HG3 GLU 79 HG3 GLU 79 -4.482 -16.708 -14.513 No H/Q in entry = 6 In of MODEL 18 1 H LEU 80 H LEU 80 -3.760 -15.966 -10.727 2 HA LEU 80 HA LEU 80 -2.892 -17.302 -8.447 3 HB2 LEU 80 HB2 LEU 80 -3.270 -14.482 -9.323 4 HB3 LEU 80 HB3 LEU 80 -2.874 -14.803 -7.646 5 HG LEU 80 HG LEU 80 -0.773 -15.530 -8.145 6 HD11 LEU 80 HD11 LEU 80 -1.436 -17.238 -9.817 7 HD12 LEU 80 HD12 LEU 80 -1.385 -15.965 -11.039 8 HD13 LEU 80 HD13 LEU 80 0.086 -16.416 -10.162 9 HD21 LEU 80 HD21 LEU 80 -1.438 -13.538 -10.277 10 HD22 LEU 80 HD22 LEU 80 -0.860 -13.198 -8.646 11 HD23 LEU 80 HD23 LEU 80 0.213 -13.970 -9.818 No H/Q in entry = 11 In of MODEL 18 1 H LYS 81 H LYS 81 -5.858 -15.493 -9.122 2 HA LYS 81 HA LYS 81 -6.836 -15.506 -6.474 3 HB2 LYS 81 HB2 LYS 81 -7.753 -14.073 -8.292 4 HB3 LYS 81 HB3 LYS 81 -8.446 -15.507 -9.034 5 HG2 LYS 81 HG2 LYS 81 -10.154 -14.363 -7.807 6 HG3 LYS 81 HG3 LYS 81 -9.777 -15.876 -6.979 7 HD2 LYS 81 HD2 LYS 81 -8.281 -14.591 -5.456 8 HD3 LYS 81 HD3 LYS 81 -8.840 -13.110 -6.228 9 HE2 LYS 81 HE2 LYS 81 -10.520 -15.096 -4.707 10 HE3 LYS 81 HE3 LYS 81 -10.055 -13.486 -4.169 11 HZ1 LYS 81 HZ1 LYS 81 -11.327 -12.557 -6.012 12 HZ2 LYS 81 HZ2 LYS 81 -11.792 -14.108 -6.492 13 HZ3 LYS 81 HZ3 LYS 81 -12.303 -13.497 -5.001 No H/Q in entry = 13 In of MODEL 18 1 H ASN 82 H ASN 82 -7.238 -17.742 -9.194 2 HA ASN 82 HA ASN 82 -8.888 -19.520 -7.689 3 HB2 ASN 82 HB2 ASN 82 -8.886 -19.369 -10.205 4 HB3 ASN 82 HB3 ASN 82 -7.311 -20.140 -10.199 5 HD21 ASN 82 HD21 ASN 82 -7.145 -22.324 -9.745 6 HD22 ASN 82 HD22 ASN 82 -8.523 -23.369 -9.680 No H/Q in entry = 6 In of MODEL 18 1 H LEU 83 H LEU 83 -5.488 -19.039 -7.973 2 HA LEU 83 HA LEU 83 -4.724 -21.537 -6.920 3 HB2 LEU 83 HB2 LEU 83 -3.539 -18.827 -7.206 4 HB3 LEU 83 HB3 LEU 83 -2.815 -19.901 -6.051 5 HG LEU 83 HG LEU 83 -3.133 -20.477 -8.992 6 HD11 LEU 83 HD11 LEU 83 -1.495 -18.724 -8.556 7 HD12 LEU 83 HD12 LEU 83 -0.677 -19.768 -7.397 8 HD13 LEU 83 HD13 LEU 83 -0.716 -20.205 -9.107 9 HD21 LEU 83 HD21 LEU 83 -1.696 -22.029 -6.837 10 HD22 LEU 83 HD22 LEU 83 -3.183 -22.517 -7.652 11 HD23 LEU 83 HD23 LEU 83 -1.679 -22.396 -8.563 No H/Q in entry = 11 In of MODEL 18 1 H LYS 84 H LYS 84 -5.008 -18.336 -5.441 2 HA LYS 84 HA LYS 84 -4.956 -18.886 -2.777 3 HB2 LYS 84 HB2 LYS 84 -5.217 -16.654 -3.848 4 HB3 LYS 84 HB3 LYS 84 -6.910 -17.020 -4.137 5 HG2 LYS 84 HG2 LYS 84 -7.235 -17.201 -1.684 6 HG3 LYS 84 HG3 LYS 84 -5.561 -16.681 -1.470 7 HD2 LYS 84 HD2 LYS 84 -6.081 -14.617 -2.736 8 HD3 LYS 84 HD3 LYS 84 -7.767 -15.128 -2.819 9 HE2 LYS 84 HE2 LYS 84 -7.831 -15.142 -0.341 10 HE3 LYS 84 HE3 LYS 84 -6.187 -14.507 -0.330 11 HZ1 LYS 84 HZ1 LYS 84 -6.994 -12.570 -1.569 12 HZ2 LYS 84 HZ2 LYS 84 -8.571 -13.170 -1.483 13 HZ3 LYS 84 HZ3 LYS 84 -7.760 -12.723 -0.071 No H/Q in entry = 13 In of MODEL 18 1 H ASP 85 H ASP 85 -7.972 -18.786 -4.665 2 HA ASP 85 HA ASP 85 -9.681 -19.741 -2.649 3 HB2 ASP 85 HB2 ASP 85 -10.477 -18.546 -4.622 4 HB3 ASP 85 HB3 ASP 85 -9.965 -19.882 -5.650 No H/Q in entry = 4 In of MODEL 18 1 H SER 86 H SER 86 -7.849 -21.554 -5.101 2 HA SER 86 HA SER 86 -9.240 -23.984 -4.473 3 HB2 SER 86 HB2 SER 86 -8.305 -23.585 -6.723 4 HB3 SER 86 HB3 SER 86 -6.681 -23.599 -6.043 5 HG SER 86 HG SER 86 -8.534 -25.734 -6.216 No H/Q in entry = 5 In of MODEL 18 1 H GLY 87 H GLY 87 -6.779 -22.279 -2.945 2 HA2 GLY 87 HA2 GLY 87 -6.338 -24.647 -1.249 3 HA3 GLY 87 HA3 GLY 87 -6.240 -22.977 -0.710 No H/Q in entry = 3 In of MODEL 18 1 H ALA 88 H ALA 88 -4.724 -22.621 -3.439 2 HA ALA 88 HA ALA 88 -2.180 -23.705 -3.038 3 HB1 ALA 88 HB1 ALA 88 -2.876 -20.985 -4.147 4 HB2 ALA 88 HB2 ALA 88 -2.790 -22.485 -5.068 5 HB3 ALA 88 HB3 ALA 88 -1.335 -21.814 -4.340 No H/Q in entry = 5 In of MODEL 18 1 H SER 89 H SER 89 -0.768 -23.314 -1.498 2 HA SER 89 HA SER 89 -1.417 -21.638 0.722 3 HB2 SER 89 HB2 SER 89 -0.213 -23.854 0.883 4 HB3 SER 89 HB3 SER 89 1.218 -23.039 0.251 5 HG SER 89 HG SER 89 1.374 -22.957 2.449 No H/Q in entry = 5 In of MODEL 18 1 H LYS 90 H LYS 90 0.750 -20.402 1.619 2 HA LYS 90 HA LYS 90 0.675 -18.014 0.162 3 HB2 LYS 90 HB2 LYS 90 2.533 -18.947 2.346 4 HB3 LYS 90 HB3 LYS 90 2.625 -17.339 1.654 5 HG2 LYS 90 HG2 LYS 90 1.388 -17.184 3.672 6 HG3 LYS 90 HG3 LYS 90 0.252 -16.983 2.340 7 HD2 LYS 90 HD2 LYS 90 -0.731 -18.403 4.025 8 HD3 LYS 90 HD3 LYS 90 -0.390 -19.364 2.587 9 HE2 LYS 90 HE2 LYS 90 1.707 -20.135 3.658 10 HE3 LYS 90 HE3 LYS 90 1.253 -19.256 5.113 11 HZ1 LYS 90 HZ1 LYS 90 -0.733 -20.637 5.265 12 HZ2 LYS 90 HZ2 LYS 90 -0.264 -21.490 3.882 13 HZ3 LYS 90 HZ3 LYS 90 0.670 -21.579 5.289 No H/Q in entry = 13 In of MODEL 18 1 H GLU 91 H GLU 91 2.886 -20.707 0.047 2 HA GLU 91 HA GLU 91 4.972 -19.298 -1.282 3 HB2 GLU 91 HB2 GLU 91 5.392 -21.229 0.159 4 HB3 GLU 91 HB3 GLU 91 4.481 -22.258 -0.932 5 HG2 GLU 91 HG2 GLU 91 6.128 -21.802 -2.689 6 HG3 GLU 91 HG3 GLU 91 7.065 -20.855 -1.539 No H/Q in entry = 6 In of MODEL 18 1 H GLU 92 H GLU 92 2.503 -21.589 -2.363 2 HA GLU 92 HA GLU 92 3.115 -21.804 -5.043 3 HB2 GLU 92 HB2 GLU 92 0.397 -21.729 -3.744 4 HB3 GLU 92 HB3 GLU 92 0.787 -22.445 -5.294 5 HG2 GLU 92 HG2 GLU 92 1.934 -23.361 -2.689 6 HG3 GLU 92 HG3 GLU 92 0.501 -24.048 -3.436 No H/Q in entry = 6 In of MODEL 18 1 H LEU 93 H LEU 93 1.107 -19.475 -3.282 2 HA LEU 93 HA LEU 93 0.681 -17.839 -5.577 3 HB2 LEU 93 HB2 LEU 93 0.517 -17.261 -2.619 4 HB3 LEU 93 HB3 LEU 93 0.158 -16.050 -3.844 5 HG LEU 93 HG LEU 93 -1.265 -18.705 -3.607 6 HD11 LEU 93 HD11 LEU 93 -2.110 -15.964 -2.707 7 HD12 LEU 93 HD12 LEU 93 -3.183 -17.362 -2.840 8 HD13 LEU 93 HD13 LEU 93 -1.837 -17.387 -1.696 9 HD21 LEU 93 HD21 LEU 93 -1.771 -16.275 -5.311 10 HD22 LEU 93 HD22 LEU 93 -1.279 -17.877 -5.862 11 HD23 LEU 93 HD23 LEU 93 -2.874 -17.640 -5.149 No H/Q in entry = 11 In of MODEL 18 1 H LYS 94 H LYS 94 3.188 -17.881 -3.024 2 HA LYS 94 HA LYS 94 4.296 -15.422 -3.715 3 HB2 LYS 94 HB2 LYS 94 4.901 -16.518 -1.647 4 HB3 LYS 94 HB3 LYS 94 5.562 -17.890 -2.510 5 HG2 LYS 94 HG2 LYS 94 7.298 -16.429 -1.584 6 HG3 LYS 94 HG3 LYS 94 7.386 -16.561 -3.341 7 HD2 LYS 94 HD2 LYS 94 6.387 -14.405 -3.614 8 HD3 LYS 94 HD3 LYS 94 6.042 -14.293 -1.889 9 HE2 LYS 94 HE2 LYS 94 8.005 -12.958 -2.540 10 HE3 LYS 94 HE3 LYS 94 8.405 -14.222 -1.385 11 HZ1 LYS 94 HZ1 LYS 94 9.144 -15.582 -3.318 12 HZ2 LYS 94 HZ2 LYS 94 8.953 -14.218 -4.303 13 HZ3 LYS 94 HZ3 LYS 94 10.077 -14.202 -3.037 No H/Q in entry = 13 In of MODEL 18 1 H ALA 95 H ALA 95 5.167 -18.668 -4.773 2 HA ALA 95 HA ALA 95 7.316 -17.646 -6.348 3 HB1 ALA 95 HB1 ALA 95 7.480 -19.806 -5.218 4 HB2 ALA 95 HB2 ALA 95 6.178 -20.432 -6.228 5 HB3 ALA 95 HB3 ALA 95 7.713 -19.965 -6.957 No H/Q in entry = 5 In of MODEL 18 1 H LYS 96 H LYS 96 4.149 -19.139 -7.053 2 HA LYS 96 HA LYS 96 4.448 -19.153 -9.855 3 HB2 LYS 96 HB2 LYS 96 2.011 -18.970 -8.108 4 HB3 LYS 96 HB3 LYS 96 1.920 -19.080 -9.851 5 HG2 LYS 96 HG2 LYS 96 3.206 -21.106 -8.038 6 HG3 LYS 96 HG3 LYS 96 1.611 -21.254 -8.778 7 HD2 LYS 96 HD2 LYS 96 2.609 -21.252 -10.988 8 HD3 LYS 96 HD3 LYS 96 4.210 -21.012 -10.290 9 HE2 LYS 96 HE2 LYS 96 4.067 -23.158 -9.165 10 HE3 LYS 96 HE3 LYS 96 2.436 -23.394 -9.786 11 HZ1 LYS 96 HZ1 LYS 96 4.854 -23.109 -11.483 12 HZ2 LYS 96 HZ2 LYS 96 4.143 -24.586 -11.063 13 HZ3 LYS 96 HZ3 LYS 96 3.289 -23.476 -12.007 No H/Q in entry = 13 In of MODEL 18 1 H VAL 97 H VAL 97 3.582 -16.595 -7.678 2 HA VAL 97 HA VAL 97 2.721 -14.676 -9.596 3 HB VAL 97 HB VAL 97 3.822 -14.353 -6.798 4 HG11 VAL 97 HG11 VAL 97 2.637 -12.258 -8.603 5 HG12 VAL 97 HG12 VAL 97 3.037 -12.040 -6.900 6 HG13 VAL 97 HG13 VAL 97 4.315 -12.352 -8.073 7 HG21 VAL 97 HG21 VAL 97 1.617 -15.440 -7.052 8 HG22 VAL 97 HG22 VAL 97 1.559 -13.916 -6.167 9 HG23 VAL 97 HG23 VAL 97 1.029 -13.982 -7.853 No H/Q in entry = 9 In of MODEL 18 1 H GLU 98 H GLU 98 5.843 -15.327 -7.991 2 HA GLU 98 HA GLU 98 7.336 -13.253 -9.103 3 HB2 GLU 98 HB2 GLU 98 8.318 -16.054 -8.522 4 HB3 GLU 98 HB3 GLU 98 9.318 -14.619 -8.683 5 HG2 GLU 98 HG2 GLU 98 7.213 -14.955 -6.564 6 HG3 GLU 98 HG3 GLU 98 8.900 -15.403 -6.345 No H/Q in entry = 6 In of MODEL 18 1 H GLU 99 H GLU 99 6.346 -16.327 -10.439 2 HA GLU 99 HA GLU 99 7.964 -16.280 -12.759 3 HB2 GLU 99 HB2 GLU 99 5.253 -17.562 -12.355 4 HB3 GLU 99 HB3 GLU 99 6.378 -17.923 -13.659 5 HG2 GLU 99 HG2 GLU 99 6.855 -18.402 -10.725 6 HG3 GLU 99 HG3 GLU 99 6.457 -19.625 -11.930 No H/Q in entry = 6 In of MODEL 18 1 H ALA 100 H ALA 100 4.758 -15.005 -12.014 2 HA ALA 100 HA ALA 100 4.244 -14.095 -14.675 3 HB1 ALA 100 HB1 ALA 100 2.430 -14.597 -13.124 4 HB2 ALA 100 HB2 ALA 100 2.343 -12.925 -13.673 5 HB3 ALA 100 HB3 ALA 100 2.960 -13.294 -12.062 No H/Q in entry = 5 In of MODEL 18 1 H LEU 101 H LEU 101 5.610 -12.673 -11.766 2 HA LEU 101 HA LEU 101 5.769 -10.021 -12.814 3 HB2 LEU 101 HB2 LEU 101 7.205 -11.300 -10.493 4 HB3 LEU 101 HB3 LEU 101 7.187 -9.581 -10.843 5 HG LEU 101 HG LEU 101 4.782 -11.250 -10.097 6 HD11 LEU 101 HD11 LEU 101 6.326 -9.174 -8.551 7 HD12 LEU 101 HD12 LEU 101 4.829 -9.942 -8.026 8 HD13 LEU 101 HD13 LEU 101 6.290 -10.907 -8.229 9 HD21 LEU 101 HD21 LEU 101 5.036 -8.284 -10.596 10 HD22 LEU 101 HD22 LEU 101 4.164 -9.438 -11.602 11 HD23 LEU 101 HD23 LEU 101 3.604 -9.095 -9.966 No H/Q in entry = 11 In of MODEL 18 1 H HIS 102 H HIS 102 7.690 -12.854 -13.159 2 HA HIS 102 HA HIS 102 9.914 -11.292 -14.173 3 HB2 HIS 102 HB2 HIS 102 9.468 -14.268 -13.931 4 HB3 HIS 102 HB3 HIS 102 10.859 -13.591 -14.772 5 HD1 HIS 102 HD1 HIS 102 11.548 -15.305 -12.464 6 HD2 HIS 102 HD2 HIS 102 10.698 -11.260 -12.003 7 HE1 HIS 102 HE1 HIS 102 12.598 -14.637 -10.283 8 HE2 HIS 102 HE2 HIS 102 12.225 -12.153 -10.115 No H/Q in entry = 8 In of MODEL 18 1 H ALA 103 H ALA 103 7.443 -13.546 -15.367 2 HA ALA 103 HA ALA 103 8.249 -13.452 -18.064 3 HB1 ALA 103 HB1 ALA 103 5.530 -14.154 -16.977 4 HB2 ALA 103 HB2 ALA 103 6.902 -15.259 -17.061 5 HB3 ALA 103 HB3 ALA 103 6.194 -14.612 -18.544 No H/Q in entry = 5 In of MODEL 18 1 H VAL 104 H VAL 104 6.966 -10.937 -16.326 2 HA VAL 104 HA VAL 104 5.330 -9.859 -18.423 3 HB VAL 104 HB VAL 104 4.730 -9.501 -16.083 4 HG11 VAL 104 HG11 VAL 104 7.406 -8.169 -16.009 5 HG12 VAL 104 HG12 VAL 104 6.151 -7.851 -14.810 6 HG13 VAL 104 HG13 VAL 104 6.797 -9.484 -14.991 7 HG21 VAL 104 HG21 VAL 104 5.543 -7.003 -17.537 8 HG22 VAL 104 HG22 VAL 104 4.003 -7.848 -17.662 9 HG23 VAL 104 HG23 VAL 104 4.453 -7.056 -16.154 No H/Q in entry = 9 In of MODEL 18 1 H THR 105 H THR 105 5.865 -8.114 -19.720 2 HA THR 105 HA THR 105 8.567 -7.032 -19.439 3 HB THR 105 HB THR 105 8.814 -7.285 -21.996 4 HG1 THR 105 HG1 THR 105 6.642 -8.945 -21.415 5 HG21 THR 105 HG21 THR 105 9.072 -9.685 -20.183 6 HG22 THR 105 HG22 THR 105 9.889 -9.478 -21.733 7 HG23 THR 105 HG23 THR 105 10.267 -8.405 -20.386 No H/Q in entry = 7 In of MODEL 18 1 H ASP 106 H ASP 106 5.395 -6.261 -19.756 2 HA ASP 106 HA ASP 106 5.801 -3.907 -21.368 3 HB2 ASP 106 HB2 ASP 106 3.554 -5.069 -20.955 4 HB3 ASP 106 HB3 ASP 106 3.598 -4.357 -19.354 No H/Q in entry = 4 In of MODEL 18 1 H GLU 107 H GLU 107 6.883 -2.208 -20.688 2 HA GLU 107 HA GLU 107 8.374 -2.315 -18.381 3 HB2 GLU 107 HB2 GLU 107 7.754 -0.021 -20.225 4 HB3 GLU 107 HB3 GLU 107 8.894 0.119 -18.894 5 HG2 GLU 107 HG2 GLU 107 9.108 -1.929 -21.081 6 HG3 GLU 107 HG3 GLU 107 9.929 -0.368 -21.100 No H/Q in entry = 6 In of MODEL 18 1 H GLU 108 H GLU 108 5.444 -0.386 -18.927 2 HA GLU 108 HA GLU 108 5.477 1.028 -16.508 3 HB2 GLU 108 HB2 GLU 108 3.113 0.110 -18.149 4 HB3 GLU 108 HB3 GLU 108 3.027 1.277 -16.836 5 HG2 GLU 108 HG2 GLU 108 4.633 2.701 -18.100 6 HG3 GLU 108 HG3 GLU 108 4.488 1.572 -19.445 No H/Q in entry = 6 In of MODEL 18 1 H LYS 109 H LYS 109 4.104 -2.143 -17.296 2 HA LYS 109 HA LYS 109 2.942 -2.757 -14.835 3 HB2 LYS 109 HB2 LYS 109 4.307 -4.560 -16.842 4 HB3 LYS 109 HB3 LYS 109 3.352 -5.142 -15.486 5 HG2 LYS 109 HG2 LYS 109 1.392 -3.961 -16.413 6 HG3 LYS 109 HG3 LYS 109 2.377 -3.484 -17.797 7 HD2 LYS 109 HD2 LYS 109 2.735 -5.817 -18.373 8 HD3 LYS 109 HD3 LYS 109 1.825 -6.325 -16.953 9 HE2 LYS 109 HE2 LYS 109 -0.171 -5.203 -17.871 10 HE3 LYS 109 HE3 LYS 109 0.753 -4.789 -19.315 11 HZ1 LYS 109 HZ1 LYS 109 1.075 -7.155 -19.731 12 HZ2 LYS 109 HZ2 LYS 109 0.169 -7.542 -18.360 13 HZ3 LYS 109 HZ3 LYS 109 -0.569 -6.771 -19.669 No H/Q in entry = 13 In of MODEL 18 1 H LYS 110 H LYS 110 6.240 -3.179 -15.984 2 HA LYS 110 HA LYS 110 7.187 -4.475 -13.625 3 HB2 LYS 110 HB2 LYS 110 8.667 -3.143 -15.895 4 HB3 LYS 110 HB3 LYS 110 9.409 -4.160 -14.668 5 HG2 LYS 110 HG2 LYS 110 8.387 -6.088 -15.476 6 HG3 LYS 110 HG3 LYS 110 7.190 -5.178 -16.393 7 HD2 LYS 110 HD2 LYS 110 8.903 -6.198 -17.831 8 HD3 LYS 110 HD3 LYS 110 8.887 -4.443 -17.952 9 HE2 LYS 110 HE2 LYS 110 10.765 -5.836 -16.080 10 HE3 LYS 110 HE3 LYS 110 11.145 -5.697 -17.792 11 HZ1 LYS 110 HZ1 LYS 110 10.953 -3.286 -17.599 12 HZ2 LYS 110 HZ2 LYS 110 10.639 -3.434 -15.938 13 HZ3 LYS 110 HZ3 LYS 110 12.139 -3.901 -16.557 No H/Q in entry = 13 In of MODEL 18 1 H GLN 111 H GLN 111 6.749 -1.223 -14.558 2 HA GLN 111 HA GLN 111 8.424 -0.003 -12.639 3 HB2 GLN 111 HB2 GLN 111 7.385 1.298 -14.430 4 HB3 GLN 111 HB3 GLN 111 5.789 0.967 -13.769 5 HG2 GLN 111 HG2 GLN 111 6.509 3.202 -13.191 6 HG3 GLN 111 HG3 GLN 111 6.371 2.202 -11.747 7 HE21 GLN 111 HE21 GLN 111 7.761 3.389 -10.517 8 HE22 GLN 111 HE22 GLN 111 9.462 3.474 -10.825 No H/Q in entry = 8 In of MODEL 18 1 H TYR 112 H TYR 112 5.166 -1.306 -12.489 2 HA TYR 112 HA TYR 112 4.640 -0.505 -9.785 3 HB2 TYR 112 HB2 TYR 112 3.389 -2.660 -11.503 4 HB3 TYR 112 HB3 TYR 112 2.781 -2.162 -9.930 5 HD1 TYR 112 HD1 TYR 112 2.344 0.442 -9.725 6 HD2 TYR 112 HD2 TYR 112 2.455 -1.703 -13.391 7 HE1 TYR 112 HE1 TYR 112 1.010 2.210 -10.784 8 HE2 TYR 112 HE2 TYR 112 1.123 0.063 -14.467 9 HH TYR 112 HH TYR 112 -0.448 1.832 -13.827 No H/Q in entry = 9 In of MODEL 18 1 H ILE 113 H ILE 113 6.061 -3.319 -11.348 2 HA ILE 113 HA ILE 113 6.267 -5.004 -9.129 3 HB ILE 113 HB ILE 113 8.179 -4.684 -11.440 4 HG12 ILE 113 HG12 ILE 113 5.897 -6.583 -10.889 5 HG13 ILE 113 HG13 ILE 113 5.944 -5.326 -12.120 6 HG21 ILE 113 HG21 ILE 113 9.297 -5.746 -9.538 7 HG22 ILE 113 HG22 ILE 113 7.986 -6.920 -9.417 8 HG23 ILE 113 HG23 ILE 113 9.024 -6.903 -10.841 9 HD11 ILE 113 HD11 ILE 113 7.805 -7.676 -12.052 10 HD12 ILE 113 HD12 ILE 113 6.302 -7.623 -12.969 11 HD13 ILE 113 HD13 ILE 113 7.603 -6.499 -13.349 No H/Q in entry = 11 In of MODEL 18 1 H ALA 114 H ALA 114 8.466 -2.467 -10.283 2 HA ALA 114 HA ALA 114 10.306 -2.774 -8.133 3 HB1 ALA 114 HB1 ALA 114 10.995 -1.811 -10.264 4 HB2 ALA 114 HB2 ALA 114 11.280 -0.670 -8.950 5 HB3 ALA 114 HB3 ALA 114 9.894 -0.454 -10.023 No H/Q in entry = 5 In of MODEL 18 1 H ASP 115 H ASP 115 7.583 -0.587 -8.764 2 HA ASP 115 HA ASP 115 8.000 1.025 -6.478 3 HB2 ASP 115 HB2 ASP 115 5.611 0.589 -8.254 4 HB3 ASP 115 HB3 ASP 115 5.526 1.632 -6.839 No H/Q in entry = 4 In of MODEL 18 1 H PHE 116 H PHE 116 5.543 -1.503 -7.040 2 HA PHE 116 HA PHE 116 4.946 -1.284 -4.184 3 HB2 PHE 116 HB2 PHE 116 3.267 -1.524 -6.509 4 HB3 PHE 116 HB3 PHE 116 2.970 -2.872 -5.416 5 HD1 PHE 116 HD1 PHE 116 2.831 0.751 -5.828 6 HD2 PHE 116 HD2 PHE 116 2.005 -2.539 -3.257 7 HE1 PHE 116 HE1 PHE 116 1.450 2.217 -4.420 8 HE2 PHE 116 HE2 PHE 116 0.611 -1.074 -1.838 9 HZ PHE 116 HZ PHE 116 0.290 1.260 -2.429 No H/Q in entry = 9 In of MODEL 18 1 H GLY 117 H GLY 117 6.252 -3.431 -6.511 2 HA2 GLY 117 HA2 GLY 117 7.157 -5.543 -6.239 3 HA3 GLY 117 HA3 GLY 117 5.538 -5.948 -5.703 No H/Q in entry = 3 In of MODEL 18 1 HA PRO 118 HA PRO 118 9.075 -6.403 -2.378 2 HB2 PRO 118 HB2 PRO 118 9.685 -3.544 -1.841 3 HB3 PRO 118 HB3 PRO 118 10.776 -4.931 -1.922 4 HG2 PRO 118 HG2 PRO 118 10.695 -3.158 -3.905 5 HG3 PRO 118 HG3 PRO 118 10.872 -4.892 -4.240 6 HD2 PRO 118 HD2 PRO 118 8.459 -3.145 -4.497 7 HD3 PRO 118 HD3 PRO 118 9.007 -4.472 -5.539 No H/Q in entry = 7 In of MODEL 18 1 H ALA 119 H ALA 119 7.317 -3.339 -2.034 2 HA ALA 119 HA ALA 119 6.853 -3.627 0.777 3 HB1 ALA 119 HB1 ALA 119 5.476 -1.653 0.530 4 HB2 ALA 119 HB2 ALA 119 5.521 -1.815 -1.225 5 HB3 ALA 119 HB3 ALA 119 6.999 -1.451 -0.336 No H/Q in entry = 5 In of MODEL 18 1 H CYS 120 H CYS 120 5.016 -4.437 -2.105 2 HA CYS 120 HA CYS 120 2.585 -5.047 -0.778 3 HB2 CYS 120 HB2 CYS 120 2.748 -4.768 -3.237 4 HB3 CYS 120 HB3 CYS 120 3.664 -6.268 -3.327 No H/Q in entry = 4 In of MODEL 18 1 H LYS 121 H LYS 121 5.593 -6.743 -1.165 2 HA LYS 121 HA LYS 121 4.646 -9.318 -0.521 3 HB2 LYS 121 HB2 LYS 121 7.363 -8.085 -0.449 4 HB3 LYS 121 HB3 LYS 121 7.077 -9.758 0.033 5 HG2 LYS 121 HG2 LYS 121 6.014 -10.171 -2.158 6 HG3 LYS 121 HG3 LYS 121 6.429 -8.525 -2.634 7 HD2 LYS 121 HD2 LYS 121 8.757 -9.002 -2.482 8 HD3 LYS 121 HD3 LYS 121 8.427 -10.582 -1.766 9 HE2 LYS 121 HE2 LYS 121 7.479 -11.401 -3.785 10 HE3 LYS 121 HE3 LYS 121 7.465 -9.791 -4.506 11 HZ1 LYS 121 HZ1 LYS 121 9.973 -11.157 -3.733 12 HZ2 LYS 121 HZ2 LYS 121 9.278 -11.350 -5.263 13 HZ3 LYS 121 HZ3 LYS 121 9.789 -9.817 -4.746 No H/Q in entry = 13 In of MODEL 18 1 H LYS 122 H LYS 122 5.914 -6.726 1.618 2 HA LYS 122 HA LYS 122 5.435 -8.281 3.979 3 HB2 LYS 122 HB2 LYS 122 5.646 -6.193 5.233 4 HB3 LYS 122 HB3 LYS 122 6.944 -6.358 4.067 5 HG2 LYS 122 HG2 LYS 122 5.763 -4.815 2.565 6 HG3 LYS 122 HG3 LYS 122 4.512 -4.617 3.790 7 HD2 LYS 122 HD2 LYS 122 5.954 -2.763 4.026 8 HD3 LYS 122 HD3 LYS 122 6.347 -3.851 5.355 9 HE2 LYS 122 HE2 LYS 122 7.877 -3.852 2.767 10 HE3 LYS 122 HE3 LYS 122 8.290 -2.778 4.098 11 HZ1 LYS 122 HZ1 LYS 122 8.446 -4.866 5.487 12 HZ2 LYS 122 HZ2 LYS 122 8.398 -5.735 4.039 13 HZ3 LYS 122 HZ3 LYS 122 9.657 -4.652 4.324 No H/Q in entry = 13 In of MODEL 18 1 H ILE 123 H ILE 123 3.514 -6.219 1.923 2 HA ILE 123 HA ILE 123 1.362 -5.834 3.688 3 HB ILE 123 HB ILE 123 1.542 -5.659 0.715 4 HG12 ILE 123 HG12 ILE 123 1.146 -3.555 2.841 5 HG13 ILE 123 HG13 ILE 123 2.727 -4.037 2.236 6 HG21 ILE 123 HG21 ILE 123 -0.821 -4.991 2.460 7 HG22 ILE 123 HG22 ILE 123 -0.662 -4.583 0.751 8 HG23 ILE 123 HG23 ILE 123 -0.750 -6.273 1.251 9 HD11 ILE 123 HD11 ILE 123 0.545 -2.988 0.480 10 HD12 ILE 123 HD12 ILE 123 1.769 -1.967 1.240 11 HD13 ILE 123 HD13 ILE 123 2.247 -3.210 0.086 No H/Q in entry = 11 In of MODEL 18 1 H TYR 124 H TYR 124 1.762 -8.075 1.045 2 HA TYR 124 HA TYR 124 -0.411 -9.801 1.759 3 HB2 TYR 124 HB2 TYR 124 1.589 -9.664 -0.397 4 HB3 TYR 124 HB3 TYR 124 1.103 -11.295 0.067 5 HD1 TYR 124 HD1 TYR 124 -0.044 -8.103 -1.351 6 HD2 TYR 124 HD2 TYR 124 -1.148 -12.078 -0.313 7 HE1 TYR 124 HE1 TYR 124 -2.118 -7.862 -2.652 8 HE2 TYR 124 HE2 TYR 124 -3.222 -11.849 -1.617 9 HH TYR 124 HH TYR 124 -3.753 -9.283 -3.783 No H/Q in entry = 9 In of MODEL 18 1 H GLY 125 H GLY 125 1.252 -9.430 3.917 2 HA2 GLY 125 HA2 GLY 125 2.780 -10.365 5.433 3 HA3 GLY 125 HA3 GLY 125 3.790 -9.770 4.152 No H/Q in entry = 3 In of MODEL 18 1 H VAL 126 H VAL 126 2.901 -12.056 2.424 2 HA VAL 126 HA VAL 126 3.849 -14.486 3.233 3 HB VAL 126 HB VAL 126 3.005 -14.236 1.015 4 HG11 VAL 126 HG11 VAL 126 3.623 -11.912 0.629 5 HG12 VAL 126 HG12 VAL 126 5.316 -12.378 0.462 6 HG13 VAL 126 HG13 VAL 126 4.130 -12.927 -0.721 7 HG21 VAL 126 HG21 VAL 126 5.948 -14.874 0.933 8 HG22 VAL 126 HG22 VAL 126 4.613 -16.006 1.161 9 HG23 VAL 126 HG23 VAL 126 4.822 -15.184 -0.386 No H/Q in entry = 9 In of MODEL 18 1 H HIS 127 H HIS 127 5.724 -11.597 2.458 2 HA HIS 127 HA HIS 127 8.241 -12.973 2.904 3 HB2 HIS 127 HB2 HIS 127 8.100 -11.210 1.182 4 HB3 HIS 127 HB3 HIS 127 7.669 -10.035 2.419 5 HD1 HIS 127 HD1 HIS 127 9.554 -8.844 3.545 6 HD2 HIS 127 HD2 HIS 127 10.827 -12.225 1.486 7 HE1 HIS 127 HE1 HIS 127 12.067 -8.777 3.615 8 HE2 HIS 127 HE2 HIS 127 12.815 -10.768 2.267 No H/Q in entry = 8 In of MODEL 18 1 H THR 128 H THR 128 7.623 -13.642 5.076 2 HA THR 128 HA THR 128 7.622 -11.532 7.091 3 HB THR 128 HB THR 128 7.477 -14.524 7.520 4 HG1 THR 128 HG1 THR 128 5.612 -12.765 6.548 5 HG21 THR 128 HG21 THR 128 6.704 -12.190 9.276 6 HG22 THR 128 HG22 THR 128 6.463 -13.894 9.668 7 HG23 THR 128 HG23 THR 128 8.097 -13.248 9.507 No H/Q in entry = 7 In of MODEL 18 1 H SER 129 H SER 129 9.599 -14.186 5.913 2 HA SER 129 HA SER 129 11.927 -12.979 7.177 3 HB2 SER 129 HB2 SER 129 11.243 -15.913 7.517 4 HB3 SER 129 HB3 SER 129 12.691 -15.105 8.119 5 HG SER 129 HG SER 129 10.526 -13.769 8.946 No H/Q in entry = 5 In of MODEL 19 1 HA2 GLY -4 HA2 GLY -4 -7.370 -5.843 -16.617 2 HA3 GLY -4 HA3 GLY -4 -7.055 -4.942 -18.094 3 H1 GLY -4 H1 GLY -4 -4.994 -6.044 -16.273 4 H2 GLY -4 H2 GLY -4 -4.690 -5.178 -17.692 No H/Q in entry = 4 In of MODEL 19 1 H SER -3 H SER -3 -8.459 -4.184 -15.615 2 HA SER -3 HA SER -3 -8.683 -2.459 -14.170 3 HB2 SER -3 HB2 SER -3 -5.668 -2.305 -14.347 4 HB3 SER -3 HB3 SER -3 -6.648 -1.345 -13.242 5 HG SER -3 HG SER -3 -5.738 -3.382 -12.403 No H/Q in entry = 5 In of MODEL 19 1 HA PRO -2 HA PRO -2 -8.787 0.721 -17.459 2 HB2 PRO -2 HB2 PRO -2 -11.385 1.293 -16.239 3 HB3 PRO -2 HB3 PRO -2 -11.012 0.866 -17.909 4 HG2 PRO -2 HG2 PRO -2 -12.315 -0.818 -16.249 5 HG3 PRO -2 HG3 PRO -2 -11.220 -1.393 -17.519 6 HD2 PRO -2 HD2 PRO -2 -10.718 -1.091 -14.579 7 HD3 PRO -2 HD3 PRO -2 -10.249 -2.412 -15.671 No H/Q in entry = 7 In of MODEL 19 1 H GLU -1 H GLU -1 -7.111 1.352 -15.688 2 HA GLU -1 HA GLU -1 -8.103 3.051 -13.588 3 HB2 GLU -1 HB2 GLU -1 -5.677 3.333 -13.058 4 HB3 GLU -1 HB3 GLU -1 -6.218 1.662 -13.084 5 HG2 GLU -1 HG2 GLU -1 -5.344 1.577 -15.467 6 HG3 GLU -1 HG3 GLU -1 -4.553 3.110 -15.114 No H/Q in entry = 6 In of MODEL 19 1 H PHE 0 H PHE 0 -8.688 5.064 -13.932 2 HA PHE 0 HA PHE 0 -7.532 6.649 -16.068 3 HB2 PHE 0 HB2 PHE 0 -9.519 7.403 -13.906 4 HB3 PHE 0 HB3 PHE 0 -9.069 8.414 -15.276 5 HD1 PHE 0 HD1 PHE 0 -9.620 7.623 -17.596 6 HD2 PHE 0 HD2 PHE 0 -11.187 5.767 -14.105 7 HE1 PHE 0 HE1 PHE 0 -11.395 6.585 -18.949 8 HE2 PHE 0 HE2 PHE 0 -12.964 4.724 -15.450 9 HZ PHE 0 HZ PHE 0 -13.068 5.132 -17.876 No H/Q in entry = 9 In of MODEL 19 1 H HIS 1 H HIS 1 -7.145 6.037 -12.739 2 HA HIS 1 HA HIS 1 -4.899 7.936 -12.672 3 HB2 HIS 1 HB2 HIS 1 -6.672 7.065 -10.373 4 HB3 HIS 1 HB3 HIS 1 -5.187 7.989 -10.185 5 HD1 HIS 1 HD1 HIS 1 -8.677 8.486 -10.273 6 HD2 HIS 1 HD2 HIS 1 -5.431 10.510 -11.902 7 HE1 HIS 1 HE1 HIS 1 -9.498 10.815 -10.741 8 HE2 HIS 1 HE2 HIS 1 -7.470 12.062 -11.571 No H/Q in entry = 8 In of MODEL 19 1 H HIS 2 H HIS 2 -2.954 7.011 -12.270 2 HA HIS 2 HA HIS 2 -2.856 4.137 -12.293 3 HB2 HIS 2 HB2 HIS 2 -0.673 6.223 -12.279 4 HB3 HIS 2 HB3 HIS 2 -0.367 4.491 -12.350 5 HD1 HIS 2 HD1 HIS 2 -1.978 3.362 -14.445 6 HD2 HIS 2 HD2 HIS 2 -0.590 7.278 -14.758 7 HE1 HIS 2 HE1 HIS 2 -2.062 3.927 -16.898 8 HE2 HIS 2 HE2 HIS 2 -1.187 6.282 -17.069 No H/Q in entry = 8 In of MODEL 19 1 H PHE 3 H PHE 3 -4.056 4.285 -10.143 2 HA PHE 3 HA PHE 3 -4.139 3.871 -7.914 3 HB2 PHE 3 HB2 PHE 3 -1.351 2.770 -8.311 4 HB3 PHE 3 HB3 PHE 3 -2.508 2.304 -7.067 5 HD1 PHE 3 HD1 PHE 3 -4.872 1.540 -8.111 6 HD2 PHE 3 HD2 PHE 3 -1.101 1.328 -10.070 7 HE1 PHE 3 HE1 PHE 3 -5.743 -0.216 -9.591 8 HE2 PHE 3 HE2 PHE 3 -1.966 -0.432 -11.555 9 HZ PHE 3 HZ PHE 3 -4.292 -1.205 -11.317 No H/Q in entry = 9 In of MODEL 19 1 H THR 4 H THR 4 -3.780 6.410 -8.042 2 HA THR 4 HA THR 4 -1.306 7.258 -6.823 3 HB THR 4 HB THR 4 -2.328 9.542 -6.994 4 HG1 THR 4 HG1 THR 4 -4.256 9.666 -8.287 5 HG21 THR 4 HG21 THR 4 -2.251 7.902 -9.527 6 HG22 THR 4 HG22 THR 4 -2.200 9.663 -9.453 7 HG23 THR 4 HG23 THR 4 -0.881 8.713 -8.766 No H/Q in entry = 7 In of MODEL 19 1 H LEU 5 H LEU 5 -1.511 8.879 -4.973 2 HA LEU 5 HA LEU 5 -2.685 7.500 -2.805 3 HB2 LEU 5 HB2 LEU 5 -1.538 10.283 -2.867 4 HB3 LEU 5 HB3 LEU 5 -1.861 9.335 -1.429 5 HG LEU 5 HG LEU 5 0.211 8.761 -3.543 6 HD11 LEU 5 HD11 LEU 5 0.795 10.554 -2.012 7 HD12 LEU 5 HD12 LEU 5 0.433 9.514 -0.635 8 HD13 LEU 5 HD13 LEU 5 1.776 9.123 -1.705 9 HD21 LEU 5 HD21 LEU 5 -0.548 7.165 -1.098 10 HD22 LEU 5 HD22 LEU 5 -0.728 6.665 -2.778 11 HD23 LEU 5 HD23 LEU 5 0.881 6.882 -2.092 No H/Q in entry = 11 In of MODEL 19 1 H GLU 6 H GLU 6 -3.591 10.545 -4.458 2 HA GLU 6 HA GLU 6 -5.917 11.028 -2.922 3 HB2 GLU 6 HB2 GLU 6 -5.353 11.611 -5.840 4 HB3 GLU 6 HB3 GLU 6 -6.752 12.219 -4.963 5 HG2 GLU 6 HG2 GLU 6 -5.273 13.422 -3.440 6 HG3 GLU 6 HG3 GLU 6 -3.873 12.813 -4.323 No H/Q in entry = 6 In of MODEL 19 1 H SER 7 H SER 7 -5.459 9.098 -5.946 2 HA SER 7 HA SER 7 -8.029 8.221 -6.251 3 HB2 SER 7 HB2 SER 7 -6.184 7.744 -7.821 4 HB3 SER 7 HB3 SER 7 -5.522 6.581 -6.676 5 HG SER 7 HG SER 7 -8.141 6.085 -7.183 No H/Q in entry = 5 In of MODEL 19 1 H SER 8 H SER 8 -5.865 7.379 -3.673 2 HA SER 8 HA SER 8 -7.498 5.063 -3.019 3 HB2 SER 8 HB2 SER 8 -4.827 5.835 -1.867 4 HB3 SER 8 HB3 SER 8 -5.733 4.345 -1.543 5 HG SER 8 HG SER 8 -4.635 5.203 -4.028 No H/Q in entry = 5 In of MODEL 19 1 H LEU 9 H LEU 9 -7.250 8.332 -1.981 2 HA LEU 9 HA LEU 9 -7.024 8.047 0.749 3 HB2 LEU 9 HB2 LEU 9 -8.352 10.192 -0.843 4 HB3 LEU 9 HB3 LEU 9 -7.988 10.315 0.869 5 HG LEU 9 HG LEU 9 -5.913 9.802 -1.244 6 HD11 LEU 9 HD11 LEU 9 -6.999 11.921 -1.604 7 HD12 LEU 9 HD12 LEU 9 -6.691 12.384 0.071 8 HD13 LEU 9 HD13 LEU 9 -5.343 12.140 -1.039 9 HD21 LEU 9 HD21 LEU 9 -5.713 10.590 1.661 10 HD22 LEU 9 HD22 LEU 9 -5.263 9.033 0.958 11 HD23 LEU 9 HD23 LEU 9 -4.355 10.493 0.539 No H/Q in entry = 11 In of MODEL 19 1 H ASP 10 H ASP 10 -9.959 7.902 -1.087 2 HA ASP 10 HA ASP 10 -11.500 7.532 1.371 3 HB2 ASP 10 HB2 ASP 10 -12.403 7.744 -1.512 4 HB3 ASP 10 HB3 ASP 10 -13.481 7.550 -0.135 No H/Q in entry = 4 In of MODEL 19 1 H THR 11 H THR 11 -9.677 5.652 -0.559 2 HA THR 11 HA THR 11 -11.461 3.353 -0.232 3 HB THR 11 HB THR 11 -10.350 2.343 -2.241 4 HG1 THR 11 HG1 THR 11 -9.623 4.608 -3.454 5 HG21 THR 11 HG21 THR 11 -11.873 4.915 -2.667 6 HG22 THR 11 HG22 THR 11 -11.649 3.651 -3.875 7 HG23 THR 11 HG23 THR 11 -12.571 3.316 -2.411 No H/Q in entry = 7 In of MODEL 19 1 H HIS 12 H HIS 12 -8.314 2.932 -1.552 2 HA HIS 12 HA HIS 12 -7.629 0.968 0.303 3 HB2 HIS 12 HB2 HIS 12 -5.529 2.464 -1.244 4 HB3 HIS 12 HB3 HIS 12 -5.538 0.774 -0.774 5 HD1 HIS 12 HD1 HIS 12 -5.613 2.529 -3.716 6 HD2 HIS 12 HD2 HIS 12 -8.190 -0.308 -2.126 7 HE1 HIS 12 HE1 HIS 12 -6.804 1.515 -5.687 8 HE2 HIS 12 HE2 HIS 12 -8.514 -0.035 -4.679 No H/Q in entry = 8 In of MODEL 19 1 H LEU 13 H LEU 13 -6.892 4.425 0.316 2 HA LEU 13 HA LEU 13 -5.090 3.966 2.599 3 HB2 LEU 13 HB2 LEU 13 -5.064 5.921 0.372 4 HB3 LEU 13 HB3 LEU 13 -4.467 6.456 1.928 5 HG LEU 13 HG LEU 13 -2.607 5.714 0.591 6 HD11 LEU 13 HD11 LEU 13 -2.585 5.222 3.010 7 HD12 LEU 13 HD12 LEU 13 -3.192 3.608 2.657 8 HD13 LEU 13 HD13 LEU 13 -1.610 4.104 2.060 9 HD21 LEU 13 HD21 LEU 13 -4.063 3.088 0.342 10 HD22 LEU 13 HD22 LEU 13 -3.732 4.235 -0.956 11 HD23 LEU 13 HD23 LEU 13 -2.403 3.387 -0.171 No H/Q in entry = 11 In of MODEL 19 1 H LYS 14 H LYS 14 -8.028 4.272 2.597 2 HA LYS 14 HA LYS 14 -8.681 6.854 3.578 3 HB2 LYS 14 HB2 LYS 14 -10.865 5.934 4.111 4 HB3 LYS 14 HB3 LYS 14 -10.362 5.470 2.499 5 HG2 LYS 14 HG2 LYS 14 -9.783 3.248 3.311 6 HG3 LYS 14 HG3 LYS 14 -10.256 3.718 4.947 7 HD2 LYS 14 HD2 LYS 14 -12.532 4.020 4.277 8 HD3 LYS 14 HD3 LYS 14 -12.114 3.821 2.575 9 HE2 LYS 14 HE2 LYS 14 -11.499 1.498 2.992 10 HE3 LYS 14 HE3 LYS 14 -11.880 1.694 4.701 11 HZ1 LYS 14 HZ1 LYS 14 -13.820 1.992 2.474 12 HZ2 LYS 14 HZ2 LYS 14 -13.685 0.634 3.471 13 HZ3 LYS 14 HZ3 LYS 14 -14.173 2.118 4.121 No H/Q in entry = 13 In of MODEL 19 1 H TRP 15 H TRP 15 -7.236 4.181 5.037 2 HA TRP 15 HA TRP 15 -8.161 4.614 7.711 3 HB2 TRP 15 HB2 TRP 15 -6.303 3.052 8.321 4 HB3 TRP 15 HB3 TRP 15 -7.401 2.404 7.107 5 HD1 TRP 15 HD1 TRP 15 -6.477 2.212 4.597 6 HE1 TRP 15 HE1 TRP 15 -4.088 2.050 3.670 7 HE3 TRP 15 HE3 TRP 15 -3.905 3.813 8.713 8 HZ2 TRP 15 HZ2 TRP 15 -1.452 2.526 4.569 9 HZ3 TRP 15 HZ3 TRP 15 -1.450 3.930 8.597 10 HH2 TRP 15 HH2 TRP 15 -0.251 3.299 6.568 No H/Q in entry = 10 In of MODEL 19 1 H LEU 16 H LEU 16 -6.016 6.245 5.686 2 HA LEU 16 HA LEU 16 -4.218 7.212 7.701 3 HB2 LEU 16 HB2 LEU 16 -4.951 8.310 4.976 4 HB3 LEU 16 HB3 LEU 16 -3.731 9.012 6.015 5 HG LEU 16 HG LEU 16 -3.574 6.209 4.891 6 HD11 LEU 16 HD11 LEU 16 -3.530 7.938 3.129 7 HD12 LEU 16 HD12 LEU 16 -2.170 8.711 3.954 8 HD13 LEU 16 HD13 LEU 16 -1.995 7.084 3.290 9 HD21 LEU 16 HD21 LEU 16 -1.559 7.957 6.304 10 HD22 LEU 16 HD22 LEU 16 -2.241 6.436 6.885 11 HD23 LEU 16 HD23 LEU 16 -1.168 6.449 5.481 No H/Q in entry = 11 In of MODEL 19 1 H SER 17 H SER 17 -4.353 9.062 8.841 2 HA SER 17 HA SER 17 -6.994 10.174 9.182 3 HB2 SER 17 HB2 SER 17 -4.377 10.902 10.509 4 HB3 SER 17 HB3 SER 17 -5.965 11.487 10.998 5 HG SER 17 HG SER 17 -5.870 8.770 10.780 No H/Q in entry = 5 In of MODEL 19 1 H GLN 18 H GLN 18 -7.385 12.557 9.069 2 HA GLN 18 HA GLN 18 -6.883 13.466 6.505 3 HB2 GLN 18 HB2 GLN 18 -7.552 15.114 8.952 4 HB3 GLN 18 HB3 GLN 18 -7.661 15.693 7.294 5 HG2 GLN 18 HG2 GLN 18 -9.245 13.427 8.485 6 HG3 GLN 18 HG3 GLN 18 -9.838 15.054 8.153 7 HE21 GLN 18 HE21 GLN 18 -10.129 15.706 6.016 8 HE22 GLN 18 HE22 GLN 18 -10.265 14.561 4.727 No H/Q in entry = 8 In of MODEL 19 1 H GLU 19 H GLU 19 -5.202 14.382 9.494 2 HA GLU 19 HA GLU 19 -3.467 16.248 8.395 3 HB2 GLU 19 HB2 GLU 19 -2.972 14.338 10.691 4 HB3 GLU 19 HB3 GLU 19 -2.153 15.850 10.402 5 HG2 GLU 19 HG2 GLU 19 -4.175 17.093 10.788 6 HG3 GLU 19 HG3 GLU 19 -5.083 15.593 10.963 No H/Q in entry = 6 In of MODEL 19 1 H GLN 20 H GLN 20 -3.287 12.721 8.513 2 HA GLN 20 HA GLN 20 -0.606 12.596 7.500 3 HB2 GLN 20 HB2 GLN 20 -2.762 10.459 7.413 4 HB3 GLN 20 HB3 GLN 20 -1.039 10.206 7.175 5 HG2 GLN 20 HG2 GLN 20 -0.597 10.793 9.474 6 HG3 GLN 20 HG3 GLN 20 -2.296 11.181 9.731 7 HE21 GLN 20 HE21 GLN 20 0.042 8.653 9.403 8 HE22 GLN 20 HE22 GLN 20 -0.998 7.353 9.866 No H/Q in entry = 8 In of MODEL 19 1 H LYS 21 H LYS 21 -3.852 12.191 6.070 2 HA LYS 21 HA LYS 21 -3.120 11.654 3.442 3 HB2 LYS 21 HB2 LYS 21 -5.444 13.320 4.423 4 HB3 LYS 21 HB3 LYS 21 -5.279 12.699 2.788 5 HG2 LYS 21 HG2 LYS 21 -5.353 10.412 3.650 6 HG3 LYS 21 HG3 LYS 21 -5.533 11.045 5.290 7 HD2 LYS 21 HD2 LYS 21 -7.617 12.135 4.659 8 HD3 LYS 21 HD3 LYS 21 -7.429 11.562 3.001 9 HE2 LYS 21 HE2 LYS 21 -7.670 9.283 3.696 10 HE3 LYS 21 HE3 LYS 21 -7.641 9.751 5.398 11 HZ1 LYS 21 HZ1 LYS 21 -9.705 10.992 5.018 12 HZ2 LYS 21 HZ2 LYS 21 -9.748 10.439 3.421 13 HZ3 LYS 21 HZ3 LYS 21 -9.891 9.343 4.703 No H/Q in entry = 13 In of MODEL 19 1 H ASP 22 H ASP 22 -3.747 14.798 4.933 2 HA ASP 22 HA ASP 22 -3.014 16.404 2.740 3 HB2 ASP 22 HB2 ASP 22 -4.289 17.146 4.782 4 HB3 ASP 22 HB3 ASP 22 -2.773 17.107 5.667 No H/Q in entry = 4 In of MODEL 19 1 H GLU 23 H GLU 23 -1.064 15.060 5.426 2 HA GLU 23 HA GLU 23 1.344 16.300 4.775 3 HB2 GLU 23 HB2 GLU 23 0.663 14.697 6.752 4 HB3 GLU 23 HB3 GLU 23 1.297 13.455 5.673 5 HG2 GLU 23 HG2 GLU 23 3.388 14.615 5.521 6 HG3 GLU 23 HG3 GLU 23 2.745 15.915 6.514 No H/Q in entry = 6 In of MODEL 19 1 H LEU 24 H LEU 24 0.001 13.181 3.611 2 HA LEU 24 HA LEU 24 2.181 12.528 1.953 3 HB2 LEU 24 HB2 LEU 24 -0.727 11.740 1.980 4 HB3 LEU 24 HB3 LEU 24 0.369 11.125 0.766 5 HG LEU 24 HG LEU 24 -0.149 9.655 2.809 6 HD11 LEU 24 HD11 LEU 24 2.707 10.180 2.040 7 HD12 LEU 24 HD12 LEU 24 2.112 8.750 2.894 8 HD13 LEU 24 HD13 LEU 24 1.584 9.076 1.241 9 HD21 LEU 24 HD21 LEU 24 1.619 11.693 4.067 10 HD22 LEU 24 HD22 LEU 24 0.113 10.989 4.664 11 HD23 LEU 24 HD23 LEU 24 1.589 10.025 4.626 No H/Q in entry = 11 In of MODEL 19 1 H LEU 25 H LEU 25 -0.746 14.416 1.422 2 HA LEU 25 HA LEU 25 -0.471 14.743 -1.369 3 HB2 LEU 25 HB2 LEU 25 -1.870 16.458 0.681 4 HB3 LEU 25 HB3 LEU 25 -2.017 16.668 -1.049 5 HG LEU 25 HG LEU 25 -2.917 14.267 0.537 6 HD11 LEU 25 HD11 LEU 25 -4.467 16.380 -0.950 7 HD12 LEU 25 HD12 LEU 25 -5.154 14.961 -0.162 8 HD13 LEU 25 HD13 LEU 25 -4.360 16.206 0.802 9 HD21 LEU 25 HD21 LEU 25 -3.047 14.803 -2.426 10 HD22 LEU 25 HD22 LEU 25 -2.097 13.553 -1.626 11 HD23 LEU 25 HD23 LEU 25 -3.856 13.475 -1.596 No H/Q in entry = 11 In of MODEL 19 1 H LYS 26 H LYS 26 0.672 16.641 1.382 2 HA LYS 26 HA LYS 26 1.737 18.803 -0.123 3 HB2 LYS 26 HB2 LYS 26 2.483 17.750 2.611 4 HB3 LYS 26 HB3 LYS 26 3.107 19.243 1.926 5 HG2 LYS 26 HG2 LYS 26 0.189 18.685 2.421 6 HG3 LYS 26 HG3 LYS 26 1.245 19.568 3.523 7 HD2 LYS 26 HD2 LYS 26 0.783 20.389 0.661 8 HD3 LYS 26 HD3 LYS 26 -0.182 20.989 2.008 9 HE2 LYS 26 HE2 LYS 26 2.806 21.284 1.712 10 HE3 LYS 26 HE3 LYS 26 1.614 22.544 1.403 11 HZ1 LYS 26 HZ1 LYS 26 0.936 22.368 3.744 12 HZ2 LYS 26 HZ2 LYS 26 2.169 21.242 4.012 13 HZ3 LYS 26 HZ3 LYS 26 2.551 22.831 3.578 No H/Q in entry = 13 In of MODEL 19 1 H MET 27 H MET 27 3.179 15.833 1.145 2 HA MET 27 HA MET 27 5.750 16.140 0.325 3 HB2 MET 27 HB2 MET 27 4.146 13.586 0.168 4 HB3 MET 27 HB3 MET 27 5.898 13.695 0.215 5 HG2 MET 27 HG2 MET 27 5.788 14.648 2.458 6 HG3 MET 27 HG3 MET 27 4.029 14.583 2.399 7 HE1 MET 27 HE1 MET 27 7.321 12.490 2.297 8 HE2 MET 27 HE2 MET 27 6.715 10.835 2.347 9 HE3 MET 27 HE3 MET 27 6.441 11.832 0.920 No H/Q in entry = 9 In of MODEL 19 1 H LYS 28 H LYS 28 3.184 14.629 -1.645 2 HA LYS 28 HA LYS 28 4.690 14.277 -3.973 3 HB2 LYS 28 HB2 LYS 28 2.565 13.196 -3.744 4 HB3 LYS 28 HB3 LYS 28 1.730 14.744 -3.661 5 HG2 LYS 28 HG2 LYS 28 2.050 15.182 -5.925 6 HG3 LYS 28 HG3 LYS 28 3.359 14.007 -6.063 7 HD2 LYS 28 HD2 LYS 28 0.525 13.214 -5.454 8 HD3 LYS 28 HD3 LYS 28 1.135 13.366 -7.102 9 HE2 LYS 28 HE2 LYS 28 2.928 11.739 -6.509 10 HE3 LYS 28 HE3 LYS 28 2.142 11.515 -4.947 11 HZ1 LYS 28 HZ1 LYS 28 0.887 10.985 -7.582 12 HZ2 LYS 28 HZ2 LYS 28 1.518 9.803 -6.552 13 HZ3 LYS 28 HZ3 LYS 28 0.179 10.718 -6.072 No H/Q in entry = 13 In of MODEL 19 1 H LYS 29 H LYS 29 2.837 17.097 -2.897 2 HA LYS 29 HA LYS 29 3.173 18.514 -5.343 3 HB2 LYS 29 HB2 LYS 29 2.286 19.400 -2.607 4 HB3 LYS 29 HB3 LYS 29 2.373 20.495 -3.980 5 HG2 LYS 29 HG2 LYS 29 0.704 17.992 -3.852 6 HG3 LYS 29 HG3 LYS 29 0.107 19.631 -3.602 7 HD2 LYS 29 HD2 LYS 29 0.747 20.227 -5.879 8 HD3 LYS 29 HD3 LYS 29 1.401 18.609 -6.133 9 HE2 LYS 29 HE2 LYS 29 -0.794 18.787 -7.139 10 HE3 LYS 29 HE3 LYS 29 -0.837 17.665 -5.783 11 HZ1 LYS 29 HZ1 LYS 29 -1.727 20.493 -5.686 12 HZ2 LYS 29 HZ2 LYS 29 -2.749 19.153 -5.802 13 HZ3 LYS 29 HZ3 LYS 29 -1.810 19.386 -4.415 No H/Q in entry = 13 In of MODEL 19 1 H ASP 30 H ASP 30 5.037 18.410 -2.360 2 HA ASP 30 HA ASP 30 6.649 20.660 -3.200 3 HB2 ASP 30 HB2 ASP 30 6.786 18.807 -0.828 4 HB3 ASP 30 HB3 ASP 30 8.099 19.923 -1.185 No H/Q in entry = 4 In of MODEL 19 1 H GLY 31 H GLY 31 6.486 17.561 -4.143 2 HA2 GLY 31 HA2 GLY 31 9.030 17.889 -5.501 3 HA3 GLY 31 HA3 GLY 31 7.770 16.733 -5.907 No H/Q in entry = 3 In of MODEL 19 1 H LYS 32 H LYS 32 7.715 16.039 -2.935 2 HA LYS 32 HA LYS 32 10.122 14.604 -2.489 3 HB2 LYS 32 HB2 LYS 32 7.339 14.134 -1.389 4 HB3 LYS 32 HB3 LYS 32 8.803 13.357 -0.800 5 HG2 LYS 32 HG2 LYS 32 8.208 16.309 -0.718 6 HG3 LYS 32 HG3 LYS 32 8.152 15.191 0.647 7 HD2 LYS 32 HD2 LYS 32 10.533 14.773 0.440 8 HD3 LYS 32 HD3 LYS 32 10.612 15.802 -0.991 9 HE2 LYS 32 HE2 LYS 32 9.958 17.730 0.343 10 HE3 LYS 32 HE3 LYS 32 9.829 16.708 1.773 11 HZ1 LYS 32 HZ1 LYS 32 12.205 16.221 1.557 12 HZ2 LYS 32 HZ2 LYS 32 12.306 17.272 0.236 13 HZ3 LYS 32 HZ3 LYS 32 11.918 17.874 1.767 No H/Q in entry = 13 In of MODEL 19 1 H ALA 33 H ALA 33 10.565 12.495 -2.929 2 HA ALA 33 HA ALA 33 9.621 11.624 -5.456 3 HB1 ALA 33 HB1 ALA 33 11.930 11.239 -4.594 4 HB2 ALA 33 HB2 ALA 33 11.266 10.013 -3.515 5 HB3 ALA 33 HB3 ALA 33 11.156 9.803 -5.259 No H/Q in entry = 5 In of MODEL 19 1 H LYS 34 H LYS 34 8.536 9.669 -5.995 2 HA LYS 34 HA LYS 34 6.267 9.085 -4.468 3 HB2 LYS 34 HB2 LYS 34 6.797 8.632 -6.965 4 HB3 LYS 34 HB3 LYS 34 7.486 7.124 -6.390 5 HG2 LYS 34 HG2 LYS 34 4.713 7.855 -5.582 6 HG3 LYS 34 HG3 LYS 34 5.007 7.243 -7.207 7 HD2 LYS 34 HD2 LYS 34 5.905 5.832 -4.703 8 HD3 LYS 34 HD3 LYS 34 4.369 5.511 -5.506 9 HE2 LYS 34 HE2 LYS 34 7.100 5.224 -6.757 10 HE3 LYS 34 HE3 LYS 34 6.107 3.901 -6.152 11 HZ1 LYS 34 HZ1 LYS 34 4.420 4.477 -7.787 12 HZ2 LYS 34 HZ2 LYS 34 5.388 5.732 -8.376 13 HZ3 LYS 34 HZ3 LYS 34 5.899 4.122 -8.539 No H/Q in entry = 13 In of MODEL 19 1 H LYS 35 H LYS 35 9.432 7.533 -4.630 2 HA LYS 35 HA LYS 35 8.984 5.376 -2.920 3 HB2 LYS 35 HB2 LYS 35 11.504 7.023 -3.207 4 HB3 LYS 35 HB3 LYS 35 11.409 5.418 -2.497 5 HG2 LYS 35 HG2 LYS 35 10.718 6.085 -5.348 6 HG3 LYS 35 HG3 LYS 35 12.248 5.396 -4.807 7 HD2 LYS 35 HD2 LYS 35 11.224 3.377 -4.160 8 HD3 LYS 35 HD3 LYS 35 9.607 4.080 -4.240 9 HE2 LYS 35 HE2 LYS 35 9.964 2.644 -6.146 10 HE3 LYS 35 HE3 LYS 35 9.855 4.322 -6.675 11 HZ1 LYS 35 HZ1 LYS 35 12.316 4.359 -6.703 12 HZ2 LYS 35 HZ2 LYS 35 12.318 2.700 -6.377 13 HZ3 LYS 35 HZ3 LYS 35 11.642 3.277 -7.817 No H/Q in entry = 13 In of MODEL 19 1 H GLU 36 H GLU 36 9.102 8.749 -2.154 2 HA GLU 36 HA GLU 36 9.785 8.340 0.617 3 HB2 GLU 36 HB2 GLU 36 8.778 10.812 -0.796 4 HB3 GLU 36 HB3 GLU 36 9.400 10.753 0.849 5 HG2 GLU 36 HG2 GLU 36 11.547 9.882 -0.115 6 HG3 GLU 36 HG3 GLU 36 10.895 10.273 -1.696 No H/Q in entry = 6 In of MODEL 19 1 H LEU 37 H LEU 37 7.040 8.581 -1.373 2 HA LEU 37 HA LEU 37 5.103 8.875 0.723 3 HB2 LEU 37 HB2 LEU 37 4.762 7.931 -2.125 4 HB3 LEU 37 HB3 LEU 37 3.476 8.445 -1.048 5 HG LEU 37 HG LEU 37 5.725 10.270 -1.879 6 HD11 LEU 37 HD11 LEU 37 4.523 9.516 -3.860 7 HD12 LEU 37 HD12 LEU 37 2.999 10.003 -3.125 8 HD13 LEU 37 HD13 LEU 37 4.214 11.218 -3.519 9 HD21 LEU 37 HD21 LEU 37 2.998 10.776 -0.698 10 HD22 LEU 37 HD22 LEU 37 4.543 10.928 0.135 11 HD23 LEU 37 HD23 LEU 37 4.148 12.017 -1.195 No H/Q in entry = 11 In of MODEL 19 1 H GLU 38 H GLU 38 6.325 6.227 -1.256 2 HA GLU 38 HA GLU 38 4.844 4.158 -0.041 3 HB2 GLU 38 HB2 GLU 38 7.543 4.063 -1.401 4 HB3 GLU 38 HB3 GLU 38 6.547 2.662 -1.023 5 HG2 GLU 38 HG2 GLU 38 4.829 3.417 -2.524 6 HG3 GLU 38 HG3 GLU 38 5.701 4.920 -2.822 No H/Q in entry = 6 In of MODEL 19 1 H ALA 39 H ALA 39 7.438 6.041 1.042 2 HA ALA 39 HA ALA 39 8.302 4.120 3.048 3 HB1 ALA 39 HB1 ALA 39 9.233 6.948 2.576 4 HB2 ALA 39 HB2 ALA 39 9.988 5.752 3.629 5 HB3 ALA 39 HB3 ALA 39 9.967 5.502 1.884 No H/Q in entry = 5 In of MODEL 19 1 H LYS 40 H LYS 40 6.720 7.249 2.888 2 HA LYS 40 HA LYS 40 6.310 7.684 5.613 3 HB2 LYS 40 HB2 LYS 40 5.969 9.338 3.794 4 HB3 LYS 40 HB3 LYS 40 4.530 8.461 3.295 5 HG2 LYS 40 HG2 LYS 40 3.828 10.318 4.578 6 HG3 LYS 40 HG3 LYS 40 3.587 8.875 5.564 7 HD2 LYS 40 HD2 LYS 40 4.535 10.496 6.993 8 HD3 LYS 40 HD3 LYS 40 5.832 9.372 6.609 9 HE2 LYS 40 HE2 LYS 40 6.895 10.879 5.197 10 HE3 LYS 40 HE3 LYS 40 5.443 11.855 4.985 11 HZ1 LYS 40 HZ1 LYS 40 6.986 11.646 7.511 12 HZ2 LYS 40 HZ2 LYS 40 7.095 12.924 6.413 13 HZ3 LYS 40 HZ3 LYS 40 5.642 12.636 7.233 No H/Q in entry = 13 In of MODEL 19 1 H ILE 41 H ILE 41 4.149 6.171 3.197 2 HA ILE 41 HA ILE 41 2.094 5.553 5.002 3 HB ILE 41 HB ILE 41 2.819 4.314 2.353 4 HG12 ILE 41 HG12 ILE 41 0.689 6.328 3.094 5 HG13 ILE 41 HG13 ILE 41 2.251 6.743 2.397 6 HG21 ILE 41 HG21 ILE 41 1.467 2.763 3.660 7 HG22 ILE 41 HG22 ILE 41 0.277 4.032 3.947 8 HG23 ILE 41 HG23 ILE 41 0.544 3.425 2.313 9 HD11 ILE 41 HD11 ILE 41 0.145 5.043 1.097 10 HD12 ILE 41 HD12 ILE 41 0.491 6.733 0.732 11 HD13 ILE 41 HD13 ILE 41 1.701 5.493 0.398 No H/Q in entry = 11 In of MODEL 19 1 H LEU 42 H LEU 42 4.874 3.629 3.885 2 HA LEU 42 HA LEU 42 4.093 1.237 5.156 3 HB2 LEU 42 HB2 LEU 42 6.790 2.259 4.313 4 HB3 LEU 42 HB3 LEU 42 6.577 0.692 5.061 5 HG LEU 42 HG LEU 42 5.557 1.621 2.389 6 HD11 LEU 42 HD11 LEU 42 7.858 0.866 2.458 7 HD12 LEU 42 HD12 LEU 42 7.358 -0.641 3.222 8 HD13 LEU 42 HD13 LEU 42 6.853 -0.279 1.572 9 HD21 LEU 42 HD21 LEU 42 4.774 -0.802 3.990 10 HD22 LEU 42 HD22 LEU 42 3.726 0.390 3.222 11 HD23 LEU 42 HD23 LEU 42 4.643 -0.751 2.233 No H/Q in entry = 11 In of MODEL 19 1 H HIS 43 H HIS 43 5.907 4.032 6.287 2 HA HIS 43 HA HIS 43 6.643 2.969 8.796 3 HB2 HIS 43 HB2 HIS 43 7.546 5.106 7.861 4 HB3 HIS 43 HB3 HIS 43 5.985 5.857 8.171 5 HD1 HIS 43 HD1 HIS 43 9.048 4.584 9.913 6 HD2 HIS 43 HD2 HIS 43 5.466 6.477 10.858 7 HE1 HIS 43 HE1 HIS 43 9.285 5.328 12.306 8 HE2 HIS 43 HE2 HIS 43 7.126 6.511 12.843 No H/Q in entry = 8 In of MODEL 19 1 H TYR 44 H TYR 44 3.784 4.886 7.801 2 HA TYR 44 HA TYR 44 2.459 4.874 10.269 3 HB2 TYR 44 HB2 TYR 44 1.333 4.878 7.461 4 HB3 TYR 44 HB3 TYR 44 0.384 5.193 8.907 5 HD1 TYR 44 HD1 TYR 44 2.655 6.774 10.311 6 HD2 TYR 44 HD2 TYR 44 0.903 7.000 6.446 7 HE1 TYR 44 HE1 TYR 44 3.272 9.147 10.182 8 HE2 TYR 44 HE2 TYR 44 1.511 9.359 6.295 9 HH TYR 44 HH TYR 44 3.689 10.850 8.389 No H/Q in entry = 9 In of MODEL 19 1 H TYR 45 H TYR 45 2.348 2.669 7.558 2 HA TYR 45 HA TYR 45 0.426 0.856 8.291 3 HB2 TYR 45 HB2 TYR 45 1.632 0.980 6.132 4 HB3 TYR 45 HB3 TYR 45 3.071 0.349 6.911 5 HD1 TYR 45 HD1 TYR 45 -0.506 -0.563 6.518 6 HD2 TYR 45 HD2 TYR 45 3.534 -1.870 6.585 7 HE1 TYR 45 HE1 TYR 45 -1.250 -2.845 6.034 8 HE2 TYR 45 HE2 TYR 45 2.804 -4.167 6.090 9 HH TYR 45 HH TYR 45 0.774 -5.545 6.346 No H/Q in entry = 9 In of MODEL 19 1 H ASP 46 H ASP 46 3.901 0.762 9.105 2 HA ASP 46 HA ASP 46 3.594 -1.687 10.551 3 HB2 ASP 46 HB2 ASP 46 5.708 -0.963 9.375 4 HB3 ASP 46 HB3 ASP 46 5.939 0.226 10.651 No H/Q in entry = 4 In of MODEL 19 1 H GLU 47 H GLU 47 3.071 1.584 11.371 2 HA GLU 47 HA GLU 47 3.541 1.160 14.210 3 HB2 GLU 47 HB2 GLU 47 2.712 3.581 12.613 4 HB3 GLU 47 HB3 GLU 47 2.894 3.579 14.359 5 HG2 GLU 47 HG2 GLU 47 5.108 2.834 12.478 6 HG3 GLU 47 HG3 GLU 47 4.833 4.476 13.049 No H/Q in entry = 6 In of MODEL 19 1 H LEU 48 H LEU 48 1.167 0.215 12.271 2 HA LEU 48 HA LEU 48 -1.145 1.473 13.301 3 HB2 LEU 48 HB2 LEU 48 -0.658 -0.963 11.625 4 HB3 LEU 48 HB3 LEU 48 -2.271 -0.464 12.070 5 HG LEU 48 HG LEU 48 -0.314 1.185 10.491 6 HD11 LEU 48 HD11 LEU 48 -1.198 -0.704 9.232 7 HD12 LEU 48 HD12 LEU 48 -2.841 -0.229 9.662 8 HD13 LEU 48 HD13 LEU 48 -1.860 0.821 8.642 9 HD21 LEU 48 HD21 LEU 48 -3.126 1.701 11.428 10 HD22 LEU 48 HD22 LEU 48 -1.677 2.640 11.784 11 HD23 LEU 48 HD23 LEU 48 -2.336 2.629 10.148 No H/Q in entry = 11 In of MODEL 19 1 H GLU 49 H GLU 49 -2.810 -0.738 13.612 2 HA GLU 49 HA GLU 49 -2.122 -1.580 16.328 3 HB2 GLU 49 HB2 GLU 49 -4.758 -0.283 15.598 4 HB3 GLU 49 HB3 GLU 49 -4.270 -0.838 17.194 5 HG2 GLU 49 HG2 GLU 49 -2.411 0.838 17.106 6 HG3 GLU 49 HG3 GLU 49 -3.144 1.468 15.633 No H/Q in entry = 6 In of MODEL 19 1 H GLY 50 H GLY 50 -4.475 -2.838 17.021 2 HA2 GLY 50 HA2 GLY 50 -5.595 -4.822 16.730 3 HA3 GLY 50 HA3 GLY 50 -4.159 -5.326 15.861 No H/Q in entry = 3 In of MODEL 19 1 H ASP 51 H ASP 51 -7.281 -3.722 15.481 2 HA ASP 51 HA ASP 51 -7.790 -5.119 13.015 3 HB2 ASP 51 HB2 ASP 51 -9.548 -4.546 14.700 4 HB3 ASP 51 HB3 ASP 51 -9.343 -2.850 14.289 No H/Q in entry = 4 In of MODEL 19 1 H ALA 52 H ALA 52 -6.513 -2.011 13.910 2 HA ALA 52 HA ALA 52 -7.034 -0.598 11.532 3 HB1 ALA 52 HB1 ALA 52 -4.667 -0.302 13.386 4 HB2 ALA 52 HB2 ALA 52 -5.206 0.881 12.193 5 HB3 ALA 52 HB3 ALA 52 -6.229 0.492 13.576 No H/Q in entry = 5 In of MODEL 19 1 H LYS 53 H LYS 53 -4.272 -2.584 12.511 2 HA LYS 53 HA LYS 53 -2.763 -2.280 10.141 3 HB2 LYS 53 HB2 LYS 53 -1.849 -3.130 12.286 4 HB3 LYS 53 HB3 LYS 53 -2.784 -4.602 12.068 5 HG2 LYS 53 HG2 LYS 53 -0.546 -5.035 11.415 6 HG3 LYS 53 HG3 LYS 53 -1.531 -5.008 9.959 7 HD2 LYS 53 HD2 LYS 53 -0.748 -2.826 9.392 8 HD3 LYS 53 HD3 LYS 53 0.059 -2.654 10.952 9 HE2 LYS 53 HE2 LYS 53 0.775 -4.621 8.784 10 HE3 LYS 53 HE3 LYS 53 1.663 -3.155 9.191 11 HZ1 LYS 53 HZ1 LYS 53 2.015 -4.114 11.433 12 HZ2 LYS 53 HZ2 LYS 53 1.307 -5.554 10.900 13 HZ3 LYS 53 HZ3 LYS 53 2.743 -5.010 10.196 No H/Q in entry = 13 In of MODEL 19 1 H LYS 54 H LYS 54 -4.899 -4.849 11.292 2 HA LYS 54 HA LYS 54 -4.835 -6.520 9.110 3 HB2 LYS 54 HB2 LYS 54 -6.209 -7.654 10.420 4 HB3 LYS 54 HB3 LYS 54 -6.374 -6.247 11.456 5 HG2 LYS 54 HG2 LYS 54 -8.335 -5.560 10.424 6 HG3 LYS 54 HG3 LYS 54 -8.053 -6.561 8.996 7 HD2 LYS 54 HD2 LYS 54 -8.227 -8.555 10.522 8 HD3 LYS 54 HD3 LYS 54 -8.800 -7.450 11.773 9 HE2 LYS 54 HE2 LYS 54 -10.093 -8.046 9.117 10 HE3 LYS 54 HE3 LYS 54 -10.708 -8.449 10.719 11 HZ1 LYS 54 HZ1 LYS 54 -10.792 -6.000 11.148 12 HZ2 LYS 54 HZ2 LYS 54 -10.461 -5.760 9.508 13 HZ3 LYS 54 HZ3 LYS 54 -11.876 -6.557 9.973 No H/Q in entry = 13 In of MODEL 19 1 H GLU 55 H GLU 55 -7.023 -3.743 9.654 2 HA GLU 55 HA GLU 55 -8.376 -4.022 7.210 3 HB2 GLU 55 HB2 GLU 55 -8.182 -1.992 9.346 4 HB3 GLU 55 HB3 GLU 55 -8.606 -1.353 7.771 5 HG2 GLU 55 HG2 GLU 55 -10.292 -3.441 7.923 6 HG3 GLU 55 HG3 GLU 55 -10.148 -3.015 9.627 No H/Q in entry = 6 In of MODEL 19 1 H ALA 56 H ALA 56 -5.660 -1.877 8.132 2 HA ALA 56 HA ALA 56 -5.534 -0.650 5.631 3 HB1 ALA 56 HB1 ALA 56 -3.244 0.007 6.217 4 HB2 ALA 56 HB2 ALA 56 -3.247 -1.163 7.537 5 HB3 ALA 56 HB3 ALA 56 -4.337 0.222 7.584 No H/Q in entry = 5 In of MODEL 19 1 H THR 57 H THR 57 -3.743 -3.439 6.893 2 HA THR 57 HA THR 57 -2.249 -4.182 4.734 3 HB THR 57 HB THR 57 -3.804 -6.004 6.587 4 HG1 THR 57 HG1 THR 57 -2.457 -4.746 7.809 5 HG21 THR 57 HG21 THR 57 -1.387 -6.548 4.868 6 HG22 THR 57 HG22 THR 57 -2.046 -7.653 6.078 7 HG23 THR 57 HG23 THR 57 -3.002 -7.228 4.658 No H/Q in entry = 7 In of MODEL 19 1 H GLU 58 H GLU 58 -5.612 -5.062 5.390 2 HA GLU 58 HA GLU 58 -6.054 -6.544 3.017 3 HB2 GLU 58 HB2 GLU 58 -7.896 -5.224 5.001 4 HB3 GLU 58 HB3 GLU 58 -8.500 -6.114 3.606 5 HG2 GLU 58 HG2 GLU 58 -7.274 -8.106 4.423 6 HG3 GLU 58 HG3 GLU 58 -6.823 -7.185 5.859 No H/Q in entry = 6 In of MODEL 19 1 H HIS 59 H HIS 59 -6.242 -3.106 3.713 2 HA HIS 59 HA HIS 59 -7.832 -2.522 1.383 3 HB2 HIS 59 HB2 HIS 59 -6.350 -0.739 3.320 4 HB3 HIS 59 HB3 HIS 59 -7.257 -0.123 1.946 5 HD1 HIS 59 HD1 HIS 59 -9.771 -1.913 2.182 6 HD2 HIS 59 HD2 HIS 59 -7.966 0.042 5.374 7 HE1 HIS 59 HE1 HIS 59 -11.543 -1.729 3.950 8 HE2 HIS 59 HE2 HIS 59 -10.383 -0.704 5.938 No H/Q in entry = 8 In of MODEL 19 1 H LEU 60 H LEU 60 -4.442 -1.915 2.334 2 HA LEU 60 HA LEU 60 -3.563 -1.148 -0.172 3 HB2 LEU 60 HB2 LEU 60 -2.172 -2.413 2.162 4 HB3 LEU 60 HB3 LEU 60 -1.315 -2.041 0.674 5 HG LEU 60 HG LEU 60 -2.115 0.305 0.924 6 HD11 LEU 60 HD11 LEU 60 -2.876 -0.578 3.658 7 HD12 LEU 60 HD12 LEU 60 -2.776 1.096 3.102 8 HD13 LEU 60 HD13 LEU 60 -3.946 -0.009 2.371 9 HD21 LEU 60 HD21 LEU 60 -0.325 -0.775 3.081 10 HD22 LEU 60 HD22 LEU 60 0.171 -0.308 1.456 11 HD23 LEU 60 HD23 LEU 60 -0.414 0.914 2.583 No H/Q in entry = 11 In of MODEL 19 1 H LYS 61 H LYS 61 -4.271 -4.336 1.133 2 HA LYS 61 HA LYS 61 -2.988 -5.904 -0.813 3 HB2 LYS 61 HB2 LYS 61 -5.308 -6.309 1.009 4 HB3 LYS 61 HB3 LYS 61 -5.142 -7.409 -0.348 5 HG2 LYS 61 HG2 LYS 61 -2.828 -7.911 0.446 6 HG3 LYS 61 HG3 LYS 61 -3.185 -6.957 1.888 7 HD2 LYS 61 HD2 LYS 61 -5.012 -8.429 2.463 8 HD3 LYS 61 HD3 LYS 61 -4.799 -9.332 0.963 9 HE2 LYS 61 HE2 LYS 61 -2.511 -9.932 1.740 10 HE3 LYS 61 HE3 LYS 61 -2.884 -9.170 3.283 11 HZ1 LYS 61 HZ1 LYS 61 -4.720 -10.738 3.547 12 HZ2 LYS 61 HZ2 LYS 61 -4.313 -11.481 2.084 13 HZ3 LYS 61 HZ3 LYS 61 -3.239 -11.541 3.391 No H/Q in entry = 13 In of MODEL 19 1 H GLY 62 H GLY 62 -6.352 -4.741 -0.667 2 HA2 GLY 62 HA2 GLY 62 -7.809 -4.141 -2.334 3 HA3 GLY 62 HA3 GLY 62 -7.162 -5.520 -3.210 No H/Q in entry = 3 In of MODEL 19 1 H GLY 63 H GLY 63 -5.477 -2.581 -2.188 2 HA2 GLY 63 HA2 GLY 63 -4.175 -1.121 -3.394 3 HA3 GLY 63 HA3 GLY 63 -5.394 -1.267 -4.653 No H/Q in entry = 3 In of MODEL 19 1 H CYS 64 H CYS 64 -3.000 -3.510 -3.263 2 HA CYS 64 HA CYS 64 -1.381 -3.618 -5.576 3 HB2 CYS 64 HB2 CYS 64 -1.671 -5.505 -3.244 4 HB3 CYS 64 HB3 CYS 64 -0.471 -5.713 -4.515 No H/Q in entry = 4 In of MODEL 19 1 H ARG 65 H ARG 65 -4.247 -5.347 -4.619 2 HA ARG 65 HA ARG 65 -4.093 -7.481 -6.450 3 HB2 ARG 65 HB2 ARG 65 -5.689 -7.394 -4.561 4 HB3 ARG 65 HB3 ARG 65 -6.553 -6.093 -5.363 5 HG2 ARG 65 HG2 ARG 65 -7.727 -8.169 -5.682 6 HG3 ARG 65 HG3 ARG 65 -7.078 -7.612 -7.226 7 HD2 ARG 65 HD2 ARG 65 -6.777 -10.033 -6.888 8 HD3 ARG 65 HD3 ARG 65 -5.243 -9.181 -7.061 9 HE ARG 65 HE ARG 65 -5.655 -9.270 -4.372 10 HH11 ARG 65 HH11 ARG 65 -5.595 -11.705 -6.883 11 HH12 ARG 65 HH12 ARG 65 -4.955 -12.937 -5.841 12 HH21 ARG 65 HH21 ARG 65 -4.821 -10.884 -3.006 13 HH22 ARG 65 HH22 ARG 65 -4.519 -12.472 -3.637 No H/Q in entry = 13 In of MODEL 19 1 H GLU 66 H GLU 66 -5.510 -4.247 -6.669 2 HA GLU 66 HA GLU 66 -6.412 -4.484 -9.338 3 HB2 GLU 66 HB2 GLU 66 -5.555 -1.959 -7.914 4 HB3 GLU 66 HB3 GLU 66 -6.619 -2.073 -9.308 5 HG2 GLU 66 HG2 GLU 66 -7.185 -3.003 -6.506 6 HG3 GLU 66 HG3 GLU 66 -7.934 -1.657 -7.361 No H/Q in entry = 6 In of MODEL 19 1 H ILE 67 H ILE 67 -3.344 -3.653 -7.880 2 HA ILE 67 HA ILE 67 -2.068 -2.748 -10.246 3 HB ILE 67 HB ILE 67 -0.856 -3.921 -7.737 4 HG12 ILE 67 HG12 ILE 67 -1.207 -1.057 -8.659 5 HG13 ILE 67 HG13 ILE 67 -2.133 -1.847 -7.387 6 HG21 ILE 67 HG21 ILE 67 0.677 -4.138 -9.639 7 HG22 ILE 67 HG22 ILE 67 0.477 -2.422 -9.999 8 HG23 ILE 67 HG23 ILE 67 1.252 -2.920 -8.495 9 HD11 ILE 67 HD11 ILE 67 -0.086 -2.100 -6.072 10 HD12 ILE 67 HD12 ILE 67 0.819 -1.278 -7.343 11 HD13 ILE 67 HD13 ILE 67 -0.432 -0.412 -6.451 No H/Q in entry = 11 In of MODEL 19 1 H LEU 68 H LEU 68 -2.093 -5.917 -8.593 2 HA LEU 68 HA LEU 68 -0.536 -7.232 -10.562 3 HB2 LEU 68 HB2 LEU 68 -1.048 -8.040 -8.216 4 HB3 LEU 68 HB3 LEU 68 -2.634 -8.505 -8.805 5 HG LEU 68 HG LEU 68 -1.614 -10.074 -10.378 6 HD11 LEU 68 HD11 LEU 68 0.465 -8.852 -10.784 7 HD12 LEU 68 HD12 LEU 68 1.000 -9.213 -9.142 8 HD13 LEU 68 HD13 LEU 68 0.783 -10.521 -10.305 9 HD21 LEU 68 HD21 LEU 68 -0.609 -10.392 -7.550 10 HD22 LEU 68 HD22 LEU 68 -2.201 -10.863 -8.148 11 HD23 LEU 68 HD23 LEU 68 -0.758 -11.682 -8.743 No H/Q in entry = 11 In of MODEL 19 1 H LYS 69 H LYS 69 -3.878 -6.418 -10.277 2 HA LYS 69 HA LYS 69 -4.828 -7.934 -12.458 3 HB2 LYS 69 HB2 LYS 69 -6.131 -6.639 -10.601 4 HB3 LYS 69 HB3 LYS 69 -6.015 -5.277 -11.704 5 HG2 LYS 69 HG2 LYS 69 -7.212 -6.473 -13.403 6 HG3 LYS 69 HG3 LYS 69 -7.202 -7.945 -12.429 7 HD2 LYS 69 HD2 LYS 69 -8.502 -6.688 -10.686 8 HD3 LYS 69 HD3 LYS 69 -8.656 -5.368 -11.848 9 HE2 LYS 69 HE2 LYS 69 -9.790 -6.859 -13.409 10 HE3 LYS 69 HE3 LYS 69 -9.600 -8.201 -12.284 11 HZ1 LYS 69 HZ1 LYS 69 -10.952 -6.899 -10.683 12 HZ2 LYS 69 HZ2 LYS 69 -11.245 -5.766 -11.897 13 HZ3 LYS 69 HZ3 LYS 69 -11.795 -7.352 -12.075 No H/Q in entry = 13 In of MODEL 19 1 H HIS 70 H HIS 70 -2.675 -5.405 -12.315 2 HA HIS 70 HA HIS 70 -3.239 -4.410 -15.014 3 HB2 HIS 70 HB2 HIS 70 -3.020 -2.662 -13.275 4 HB3 HIS 70 HB3 HIS 70 -1.427 -3.276 -12.860 5 HD1 HIS 70 HD1 HIS 70 -2.929 -0.639 -14.666 6 HD2 HIS 70 HD2 HIS 70 0.345 -3.117 -15.333 7 HE1 HIS 70 HE1 HIS 70 -1.521 0.538 -16.386 8 HE2 HIS 70 HE2 HIS 70 0.331 -1.078 -16.929 No H/Q in entry = 8 In of MODEL 19 1 H VAL 71 H VAL 71 -0.571 -5.387 -12.872 2 HA VAL 71 HA VAL 71 1.444 -5.520 -14.785 3 HB VAL 71 HB VAL 71 1.500 -7.441 -12.499 4 HG11 VAL 71 HG11 VAL 71 3.400 -7.223 -13.988 5 HG12 VAL 71 HG12 VAL 71 3.494 -5.503 -13.602 6 HG13 VAL 71 HG13 VAL 71 3.794 -6.701 -12.348 7 HG21 VAL 71 HG21 VAL 71 1.613 -4.454 -12.173 8 HG22 VAL 71 HG22 VAL 71 0.527 -5.593 -11.373 9 HG23 VAL 71 HG23 VAL 71 2.250 -5.601 -10.990 No H/Q in entry = 9 In of MODEL 19 1 H VAL 72 H VAL 72 -0.320 -8.225 -13.296 2 HA VAL 72 HA VAL 72 0.835 -9.987 -15.286 3 HB VAL 72 HB VAL 72 0.591 -10.308 -12.654 4 HG11 VAL 72 HG11 VAL 72 -1.861 -11.650 -13.745 5 HG12 VAL 72 HG12 VAL 72 -1.173 -11.928 -12.146 6 HG13 VAL 72 HG13 VAL 72 -1.806 -10.339 -12.568 7 HG21 VAL 72 HG21 VAL 72 0.561 -12.371 -14.801 8 HG22 VAL 72 HG22 VAL 72 1.943 -11.699 -13.934 9 HG23 VAL 72 HG23 VAL 72 0.804 -12.753 -13.096 No H/Q in entry = 9 In of MODEL 19 1 H GLY 73 H GLY 73 -2.045 -8.334 -14.705 2 HA2 GLY 73 HA2 GLY 73 -3.336 -9.660 -16.929 3 HA3 GLY 73 HA3 GLY 73 -3.897 -8.211 -16.103 No H/Q in entry = 3 In of MODEL 19 1 H GLU 74 H GLU 74 -5.916 -9.583 -16.467 2 HA GLU 74 HA GLU 74 -6.666 -10.698 -13.936 3 HB2 GLU 74 HB2 GLU 74 -8.190 -10.596 -16.542 4 HB3 GLU 74 HB3 GLU 74 -8.873 -10.986 -14.970 5 HG2 GLU 74 HG2 GLU 74 -8.353 -8.760 -14.168 6 HG3 GLU 74 HG3 GLU 74 -7.604 -8.363 -15.712 No H/Q in entry = 6 In of MODEL 19 1 H GLU 75 H GLU 75 -5.113 -11.904 -16.586 2 HA GLU 75 HA GLU 75 -6.042 -14.574 -16.741 3 HB2 GLU 75 HB2 GLU 75 -4.692 -13.670 -18.500 4 HB3 GLU 75 HB3 GLU 75 -3.403 -13.256 -17.381 5 HG2 GLU 75 HG2 GLU 75 -2.998 -15.644 -16.986 6 HG3 GLU 75 HG3 GLU 75 -4.258 -16.034 -18.163 No H/Q in entry = 6 In of MODEL 19 1 H LYS 76 H LYS 76 -3.014 -13.412 -15.238 2 HA LYS 76 HA LYS 76 -2.704 -15.977 -14.015 3 HB2 LYS 76 HB2 LYS 76 -1.033 -13.470 -13.820 4 HB3 LYS 76 HB3 LYS 76 -0.587 -15.034 -13.181 5 HG2 LYS 76 HG2 LYS 76 -1.069 -14.442 -16.087 6 HG3 LYS 76 HG3 LYS 76 0.512 -14.551 -15.314 7 HD2 LYS 76 HD2 LYS 76 -1.496 -16.803 -15.378 8 HD3 LYS 76 HD3 LYS 76 -0.189 -16.614 -16.544 9 HE2 LYS 76 HE2 LYS 76 0.261 -16.806 -13.572 10 HE3 LYS 76 HE3 LYS 76 0.257 -18.204 -14.640 11 HZ1 LYS 76 HZ1 LYS 76 2.069 -15.874 -14.940 12 HZ2 LYS 76 HZ2 LYS 76 2.496 -17.331 -14.194 13 HZ3 LYS 76 HZ3 LYS 76 2.107 -17.302 -15.840 No H/Q in entry = 13 In of MODEL 19 1 H ALA 77 H ALA 77 -3.573 -12.741 -12.967 2 HA ALA 77 HA ALA 77 -3.444 -13.184 -10.196 3 HB1 ALA 77 HB1 ALA 77 -4.955 -11.271 -9.992 4 HB2 ALA 77 HB2 ALA 77 -5.339 -11.371 -11.709 5 HB3 ALA 77 HB3 ALA 77 -3.708 -10.943 -11.194 No H/Q in entry = 5 In of MODEL 19 1 H ALA 78 H ALA 78 -5.760 -14.086 -12.632 2 HA ALA 78 HA ALA 78 -7.876 -14.870 -10.913 3 HB1 ALA 78 HB1 ALA 78 -8.438 -14.570 -13.176 4 HB2 ALA 78 HB2 ALA 78 -8.504 -16.313 -12.932 5 HB3 ALA 78 HB3 ALA 78 -7.107 -15.581 -13.741 No H/Q in entry = 5 In of MODEL 19 1 H GLU 79 H GLU 79 -5.063 -16.494 -12.270 2 HA GLU 79 HA GLU 79 -5.747 -19.081 -11.277 3 HB2 GLU 79 HB2 GLU 79 -2.984 -18.179 -12.062 4 HB3 GLU 79 HB3 GLU 79 -3.656 -19.802 -12.128 5 HG2 GLU 79 HG2 GLU 79 -5.257 -18.940 -13.867 6 HG3 GLU 79 HG3 GLU 79 -4.288 -17.466 -13.899 No H/Q in entry = 6 In of MODEL 19 1 H LEU 80 H LEU 80 -3.921 -16.359 -10.061 2 HA LEU 80 HA LEU 80 -2.757 -17.804 -7.881 3 HB2 LEU 80 HB2 LEU 80 -3.081 -14.841 -8.351 4 HB3 LEU 80 HB3 LEU 80 -2.070 -15.570 -7.113 5 HG LEU 80 HG LEU 80 -1.685 -16.082 -10.057 6 HD11 LEU 80 HD11 LEU 80 -0.332 -14.052 -8.296 7 HD12 LEU 80 HD12 LEU 80 0.198 -14.510 -9.918 8 HD13 LEU 80 HD13 LEU 80 -1.373 -13.734 -9.686 9 HD21 LEU 80 HD21 LEU 80 -0.790 -17.766 -8.547 10 HD22 LEU 80 HD22 LEU 80 0.502 -16.872 -9.350 11 HD23 LEU 80 HD23 LEU 80 0.096 -16.517 -7.671 No H/Q in entry = 11 In of MODEL 19 1 H LYS 81 H LYS 81 -5.680 -15.965 -8.412 2 HA LYS 81 HA LYS 81 -6.472 -15.788 -5.691 3 HB2 LYS 81 HB2 LYS 81 -7.419 -14.551 -7.772 4 HB3 LYS 81 HB3 LYS 81 -8.393 -15.989 -8.003 5 HG2 LYS 81 HG2 LYS 81 -8.416 -14.269 -5.529 6 HG3 LYS 81 HG3 LYS 81 -9.592 -14.183 -6.837 7 HD2 LYS 81 HD2 LYS 81 -10.195 -16.543 -6.395 8 HD3 LYS 81 HD3 LYS 81 -9.076 -16.545 -5.031 9 HE2 LYS 81 HE2 LYS 81 -11.278 -16.179 -4.178 10 HE3 LYS 81 HE3 LYS 81 -10.383 -14.666 -4.045 11 HZ1 LYS 81 HZ1 LYS 81 -11.483 -13.889 -6.056 12 HZ2 LYS 81 HZ2 LYS 81 -12.342 -15.339 -6.177 13 HZ3 LYS 81 HZ3 LYS 81 -12.619 -14.298 -4.872 No H/Q in entry = 13 In of MODEL 19 1 H ASN 82 H ASN 82 -7.360 -18.001 -8.324 2 HA ASN 82 HA ASN 82 -8.872 -19.766 -6.736 3 HB2 ASN 82 HB2 ASN 82 -8.936 -19.604 -9.250 4 HB3 ASN 82 HB3 ASN 82 -7.376 -20.403 -9.296 5 HD21 ASN 82 HD21 ASN 82 -10.020 -21.123 -10.371 6 HD22 ASN 82 HD22 ASN 82 -10.338 -22.715 -9.775 No H/Q in entry = 6 In of MODEL 19 1 H LEU 83 H LEU 83 -5.427 -19.684 -7.587 2 HA LEU 83 HA LEU 83 -4.691 -22.172 -6.580 3 HB2 LEU 83 HB2 LEU 83 -3.399 -19.835 -7.511 4 HB3 LEU 83 HB3 LEU 83 -2.705 -20.201 -5.950 5 HG LEU 83 HG LEU 83 -2.856 -22.144 -8.249 6 HD11 LEU 83 HD11 LEU 83 -0.535 -20.512 -7.236 7 HD12 LEU 83 HD12 LEU 83 -0.450 -21.766 -8.474 8 HD13 LEU 83 HD13 LEU 83 -1.371 -20.292 -8.773 9 HD21 LEU 83 HD21 LEU 83 -2.819 -23.178 -6.009 10 HD22 LEU 83 HD22 LEU 83 -1.365 -23.518 -6.945 11 HD23 LEU 83 HD23 LEU 83 -1.324 -22.310 -5.661 No H/Q in entry = 11 In of MODEL 19 1 H LYS 84 H LYS 84 -5.084 -19.054 -4.973 2 HA LYS 84 HA LYS 84 -4.031 -19.856 -2.473 3 HB2 LYS 84 HB2 LYS 84 -4.202 -17.503 -3.160 4 HB3 LYS 84 HB3 LYS 84 -5.955 -17.615 -3.120 5 HG2 LYS 84 HG2 LYS 84 -4.533 -18.340 -0.631 6 HG3 LYS 84 HG3 LYS 84 -4.490 -16.641 -1.103 7 HD2 LYS 84 HD2 LYS 84 -7.039 -18.237 -0.935 8 HD3 LYS 84 HD3 LYS 84 -6.388 -17.316 0.421 9 HE2 LYS 84 HE2 LYS 84 -6.550 -15.266 -0.818 10 HE3 LYS 84 HE3 LYS 84 -7.015 -16.135 -2.280 11 HZ1 LYS 84 HZ1 LYS 84 -8.612 -16.123 0.220 12 HZ2 LYS 84 HZ2 LYS 84 -8.888 -15.085 -1.086 13 HZ3 LYS 84 HZ3 LYS 84 -9.073 -16.756 -1.288 No H/Q in entry = 13 In of MODEL 19 1 H ASP 85 H ASP 85 -7.404 -19.494 -3.598 2 HA ASP 85 HA ASP 85 -8.544 -20.527 -1.215 3 HB2 ASP 85 HB2 ASP 85 -9.594 -20.012 -3.978 4 HB3 ASP 85 HB3 ASP 85 -10.584 -20.862 -2.797 No H/Q in entry = 4 In of MODEL 19 1 H SER 86 H SER 86 -7.149 -22.063 -3.968 2 HA SER 86 HA SER 86 -8.412 -24.612 -3.507 3 HB2 SER 86 HB2 SER 86 -7.604 -23.946 -5.753 4 HB3 SER 86 HB3 SER 86 -5.951 -23.930 -5.142 5 HG SER 86 HG SER 86 -6.336 -26.204 -4.588 No H/Q in entry = 5 In of MODEL 19 1 H GLY 87 H GLY 87 -5.937 -22.860 -2.057 2 HA2 GLY 87 HA2 GLY 87 -5.069 -25.302 -0.643 3 HA3 GLY 87 HA3 GLY 87 -5.201 -23.718 0.105 No H/Q in entry = 3 In of MODEL 19 1 H ALA 88 H ALA 88 -3.955 -22.250 -2.029 2 HA ALA 88 HA ALA 88 -1.284 -23.292 -2.158 3 HB1 ALA 88 HB1 ALA 88 -2.158 -20.493 -2.843 4 HB2 ALA 88 HB2 ALA 88 -2.301 -21.859 -3.948 5 HB3 ALA 88 HB3 ALA 88 -0.711 -21.339 -3.389 No H/Q in entry = 5 In of MODEL 19 1 H SER 89 H SER 89 0.151 -22.986 -0.640 2 HA SER 89 HA SER 89 -0.295 -21.491 1.717 3 HB2 SER 89 HB2 SER 89 2.311 -22.646 0.715 4 HB3 SER 89 HB3 SER 89 1.848 -22.317 2.376 5 HG SER 89 HG SER 89 0.424 -23.990 2.342 No H/Q in entry = 5 In of MODEL 19 1 H LYS 90 H LYS 90 1.405 -19.871 2.503 2 HA LYS 90 HA LYS 90 1.304 -17.593 0.930 3 HB2 LYS 90 HB2 LYS 90 2.928 -16.609 2.468 4 HB3 LYS 90 HB3 LYS 90 1.715 -17.530 3.347 5 HG2 LYS 90 HG2 LYS 90 3.284 -19.365 3.615 6 HG3 LYS 90 HG3 LYS 90 4.495 -18.479 2.687 7 HD2 LYS 90 HD2 LYS 90 4.300 -16.649 4.416 8 HD3 LYS 90 HD3 LYS 90 3.345 -17.776 5.378 9 HE2 LYS 90 HE2 LYS 90 6.164 -18.240 4.414 10 HE3 LYS 90 HE3 LYS 90 5.710 -17.752 6.044 11 HZ1 LYS 90 HZ1 LYS 90 4.798 -20.271 4.768 12 HZ2 LYS 90 HZ2 LYS 90 6.158 -20.160 5.773 13 HZ3 LYS 90 HZ3 LYS 90 4.616 -19.818 6.386 No H/Q in entry = 13 In of MODEL 19 1 H GLU 91 H GLU 91 3.698 -20.123 1.034 2 HA GLU 91 HA GLU 91 5.711 -18.710 -0.383 3 HB2 GLU 91 HB2 GLU 91 5.353 -21.631 0.221 4 HB3 GLU 91 HB3 GLU 91 6.777 -20.957 -0.566 5 HG2 GLU 91 HG2 GLU 91 7.267 -19.609 1.364 6 HG3 GLU 91 HG3 GLU 91 5.775 -20.124 2.146 No H/Q in entry = 6 In of MODEL 19 1 H GLU 92 H GLU 92 3.091 -20.835 -1.415 2 HA GLU 92 HA GLU 92 3.962 -21.331 -4.041 3 HB2 GLU 92 HB2 GLU 92 1.135 -21.138 -3.006 4 HB3 GLU 92 HB3 GLU 92 1.684 -22.008 -4.423 5 HG2 GLU 92 HG2 GLU 92 2.476 -22.670 -1.614 6 HG3 GLU 92 HG3 GLU 92 1.171 -23.443 -2.500 No H/Q in entry = 6 In of MODEL 19 1 H LEU 93 H LEU 93 2.010 -18.902 -2.451 2 HA LEU 93 HA LEU 93 1.650 -17.297 -4.798 3 HB2 LEU 93 HB2 LEU 93 1.416 -16.755 -1.841 4 HB3 LEU 93 HB3 LEU 93 1.231 -15.465 -3.010 5 HG LEU 93 HG LEU 93 -0.863 -16.743 -2.056 6 HD11 LEU 93 HD11 LEU 93 -0.528 -16.062 -4.980 7 HD12 LEU 93 HD12 LEU 93 -2.073 -16.256 -4.154 8 HD13 LEU 93 HD13 LEU 93 -0.985 -14.944 -3.694 9 HD21 LEU 93 HD21 LEU 93 -0.092 -18.504 -4.365 10 HD22 LEU 93 HD22 LEU 93 -0.166 -18.978 -2.669 11 HD23 LEU 93 HD23 LEU 93 -1.640 -18.520 -3.522 No H/Q in entry = 11 In of MODEL 19 1 H LYS 94 H LYS 94 4.144 -17.515 -2.288 2 HA LYS 94 HA LYS 94 5.371 -15.050 -2.879 3 HB2 LYS 94 HB2 LYS 94 5.777 -16.210 -0.784 4 HB3 LYS 94 HB3 LYS 94 6.454 -17.580 -1.639 5 HG2 LYS 94 HG2 LYS 94 8.343 -16.221 -2.355 6 HG3 LYS 94 HG3 LYS 94 7.669 -14.835 -1.491 7 HD2 LYS 94 HD2 LYS 94 7.913 -15.939 0.616 8 HD3 LYS 94 HD3 LYS 94 8.336 -17.461 -0.168 9 HE2 LYS 94 HE2 LYS 94 9.968 -14.931 -0.317 10 HE3 LYS 94 HE3 LYS 94 10.285 -16.266 0.786 11 HZ1 LYS 94 HZ1 LYS 94 10.594 -17.712 -1.139 12 HZ2 LYS 94 HZ2 LYS 94 10.330 -16.408 -2.179 13 HZ3 LYS 94 HZ3 LYS 94 11.680 -16.417 -1.161 No H/Q in entry = 13 In of MODEL 19 1 H ALA 95 H ALA 95 5.941 -18.312 -4.000 2 HA ALA 95 HA ALA 95 8.166 -17.410 -5.610 3 HB1 ALA 95 HB1 ALA 95 8.335 -19.500 -4.335 4 HB2 ALA 95 HB2 ALA 95 8.571 -19.747 -6.064 5 HB3 ALA 95 HB3 ALA 95 7.037 -20.183 -5.311 No H/Q in entry = 5 In of MODEL 19 1 H LYS 96 H LYS 96 5.013 -19.043 -6.170 2 HA LYS 96 HA LYS 96 5.329 -19.119 -8.983 3 HB2 LYS 96 HB2 LYS 96 2.974 -19.333 -7.150 4 HB3 LYS 96 HB3 LYS 96 2.754 -19.297 -8.884 5 HG2 LYS 96 HG2 LYS 96 4.463 -21.288 -7.413 6 HG3 LYS 96 HG3 LYS 96 2.807 -21.577 -7.947 7 HD2 LYS 96 HD2 LYS 96 3.497 -21.209 -10.270 8 HD3 LYS 96 HD3 LYS 96 5.156 -20.933 -9.730 9 HE2 LYS 96 HE2 LYS 96 5.268 -23.196 -8.861 10 HE3 LYS 96 HE3 LYS 96 3.594 -23.480 -9.329 11 HZ1 LYS 96 HZ1 LYS 96 4.239 -23.136 -11.644 12 HZ2 LYS 96 HZ2 LYS 96 5.848 -22.920 -11.177 13 HZ3 LYS 96 HZ3 LYS 96 5.099 -24.416 -10.951 No H/Q in entry = 13 In of MODEL 19 1 H VAL 97 H VAL 97 4.407 -16.567 -6.862 2 HA VAL 97 HA VAL 97 3.107 -14.839 -8.679 3 HB VAL 97 HB VAL 97 3.613 -14.665 -6.046 4 HG11 VAL 97 HG11 VAL 97 5.577 -12.938 -7.450 5 HG12 VAL 97 HG12 VAL 97 5.084 -12.676 -5.773 6 HG13 VAL 97 HG13 VAL 97 5.897 -14.173 -6.244 7 HG21 VAL 97 HG21 VAL 97 1.887 -13.452 -7.273 8 HG22 VAL 97 HG22 VAL 97 2.758 -12.385 -6.170 9 HG23 VAL 97 HG23 VAL 97 3.111 -12.346 -7.898 No H/Q in entry = 9 In of MODEL 19 1 H GLU 98 H GLU 98 6.435 -15.578 -8.047 2 HA GLU 98 HA GLU 98 7.445 -13.369 -9.552 3 HB2 GLU 98 HB2 GLU 98 8.727 -15.774 -8.291 4 HB3 GLU 98 HB3 GLU 98 9.644 -14.628 -9.266 5 HG2 GLU 98 HG2 GLU 98 7.981 -13.837 -6.886 6 HG3 GLU 98 HG3 GLU 98 9.710 -14.215 -6.798 No H/Q in entry = 6 In of MODEL 19 1 H GLU 99 H GLU 99 6.705 -16.722 -10.221 2 HA GLU 99 HA GLU 99 7.986 -16.929 -12.712 3 HB2 GLU 99 HB2 GLU 99 5.383 -18.116 -11.731 4 HB3 GLU 99 HB3 GLU 99 6.113 -18.533 -13.276 5 HG2 GLU 99 HG2 GLU 99 7.362 -18.932 -10.571 6 HG3 GLU 99 HG3 GLU 99 6.622 -20.185 -11.569 No H/Q in entry = 6 In of MODEL 19 1 H ALA 100 H ALA 100 4.950 -15.507 -11.738 2 HA ALA 100 HA ALA 100 4.154 -14.824 -14.403 3 HB1 ALA 100 HB1 ALA 100 3.075 -13.886 -11.752 4 HB2 ALA 100 HB2 ALA 100 2.540 -15.320 -12.632 5 HB3 ALA 100 HB3 ALA 100 2.295 -13.721 -13.323 No H/Q in entry = 5 In of MODEL 19 1 H LEU 101 H LEU 101 5.461 -13.033 -11.624 2 HA LEU 101 HA LEU 101 5.474 -10.522 -12.958 3 HB2 LEU 101 HB2 LEU 101 6.913 -11.426 -10.467 4 HB3 LEU 101 HB3 LEU 101 6.807 -9.765 -11.017 5 HG LEU 101 HG LEU 101 4.474 -11.485 -10.176 6 HD11 LEU 101 HD11 LEU 101 5.899 -10.832 -8.309 7 HD12 LEU 101 HD12 LEU 101 5.787 -9.144 -8.808 8 HD13 LEU 101 HD13 LEU 101 4.347 -9.998 -8.254 9 HD21 LEU 101 HD21 LEU 101 4.590 -8.590 -11.012 10 HD22 LEU 101 HD22 LEU 101 3.812 -9.906 -11.890 11 HD23 LEU 101 HD23 LEU 101 3.180 -9.397 -10.325 No H/Q in entry = 11 In of MODEL 19 1 H HIS 102 H HIS 102 7.636 -13.193 -13.037 2 HA HIS 102 HA HIS 102 9.768 -11.578 -14.149 3 HB2 HIS 102 HB2 HIS 102 9.404 -14.577 -13.954 4 HB3 HIS 102 HB3 HIS 102 10.792 -13.816 -14.732 5 HD1 HIS 102 HD1 HIS 102 11.608 -15.507 -12.504 6 HD2 HIS 102 HD2 HIS 102 10.280 -11.634 -11.832 7 HE1 HIS 102 HE1 HIS 102 12.470 -14.883 -10.229 8 HE2 HIS 102 HE2 HIS 102 11.394 -12.656 -9.736 No H/Q in entry = 8 In of MODEL 19 1 H ALA 103 H ALA 103 7.249 -13.807 -15.278 2 HA ALA 103 HA ALA 103 8.038 -13.836 -17.971 3 HB1 ALA 103 HB1 ALA 103 5.293 -14.364 -16.850 4 HB2 ALA 103 HB2 ALA 103 6.610 -15.537 -16.889 5 HB3 ALA 103 HB3 ALA 103 5.928 -14.924 -18.398 No H/Q in entry = 5 In of MODEL 19 1 H VAL 104 H VAL 104 6.841 -11.215 -16.317 2 HA VAL 104 HA VAL 104 5.275 -10.163 -18.493 3 HB VAL 104 HB VAL 104 4.527 -9.756 -16.218 4 HG11 VAL 104 HG11 VAL 104 7.210 -8.475 -15.938 5 HG12 VAL 104 HG12 VAL 104 5.875 -8.187 -14.815 6 HG13 VAL 104 HG13 VAL 104 6.529 -9.815 -15.005 7 HG21 VAL 104 HG21 VAL 104 5.532 -7.263 -17.567 8 HG22 VAL 104 HG22 VAL 104 3.994 -8.066 -17.869 9 HG23 VAL 104 HG23 VAL 104 4.302 -7.308 -16.307 No H/Q in entry = 9 In of MODEL 19 1 H THR 105 H THR 105 5.877 -8.392 -19.729 2 HA THR 105 HA THR 105 8.614 -7.423 -19.393 3 HB THR 105 HB THR 105 8.838 -7.674 -21.967 4 HG1 THR 105 HG1 THR 105 7.489 -10.054 -21.819 5 HG21 THR 105 HG21 THR 105 9.080 -10.038 -20.107 6 HG22 THR 105 HG22 THR 105 9.857 -9.901 -21.684 7 HG23 THR 105 HG23 THR 105 10.299 -8.795 -20.385 No H/Q in entry = 7 In of MODEL 19 1 H ASP 106 H ASP 106 5.507 -6.517 -19.710 2 HA ASP 106 HA ASP 106 5.946 -4.236 -21.399 3 HB2 ASP 106 HB2 ASP 106 3.689 -5.149 -21.131 4 HB3 ASP 106 HB3 ASP 106 3.767 -4.859 -19.404 No H/Q in entry = 4 In of MODEL 19 1 H GLU 107 H GLU 107 6.824 -2.394 -20.840 2 HA GLU 107 HA GLU 107 8.512 -2.280 -18.685 3 HB2 GLU 107 HB2 GLU 107 7.546 -0.260 -20.644 4 HB3 GLU 107 HB3 GLU 107 8.468 0.301 -19.257 5 HG2 GLU 107 HG2 GLU 107 9.894 -0.048 -21.194 6 HG3 GLU 107 HG3 GLU 107 10.321 -1.136 -19.877 No H/Q in entry = 6 In of MODEL 19 1 H GLU 108 H GLU 108 5.467 -0.520 -19.031 2 HA GLU 108 HA GLU 108 5.597 0.802 -16.548 3 HB2 GLU 108 HB2 GLU 108 3.413 0.225 -18.491 4 HB3 GLU 108 HB3 GLU 108 2.971 0.770 -16.881 5 HG2 GLU 108 HG2 GLU 108 3.077 2.640 -18.395 6 HG3 GLU 108 HG3 GLU 108 4.350 2.769 -17.185 No H/Q in entry = 6 In of MODEL 19 1 H LYS 109 H LYS 109 4.156 -2.314 -17.471 2 HA LYS 109 HA LYS 109 2.992 -2.945 -15.007 3 HB2 LYS 109 HB2 LYS 109 4.231 -4.788 -17.059 4 HB3 LYS 109 HB3 LYS 109 3.183 -5.304 -15.748 5 HG2 LYS 109 HG2 LYS 109 1.400 -3.841 -16.702 6 HG3 LYS 109 HG3 LYS 109 2.457 -3.549 -18.079 7 HD2 LYS 109 HD2 LYS 109 2.455 -5.921 -18.610 8 HD3 LYS 109 HD3 LYS 109 1.478 -6.257 -17.182 9 HE2 LYS 109 HE2 LYS 109 0.102 -6.230 -19.189 10 HE3 LYS 109 HE3 LYS 109 -0.345 -4.924 -18.096 11 HZ1 LYS 109 HZ1 LYS 109 0.971 -3.406 -19.475 12 HZ2 LYS 109 HZ2 LYS 109 1.312 -4.671 -20.546 13 HZ3 LYS 109 HZ3 LYS 109 -0.275 -4.134 -20.351 No H/Q in entry = 13 In of MODEL 19 1 H LYS 110 H LYS 110 6.287 -3.445 -16.191 2 HA LYS 110 HA LYS 110 7.159 -4.791 -13.804 3 HB2 LYS 110 HB2 LYS 110 8.798 -3.525 -16.002 4 HB3 LYS 110 HB3 LYS 110 9.393 -4.648 -14.792 5 HG2 LYS 110 HG2 LYS 110 8.055 -6.425 -15.724 6 HG3 LYS 110 HG3 LYS 110 7.325 -5.302 -16.879 7 HD2 LYS 110 HD2 LYS 110 10.280 -5.880 -16.726 8 HD3 LYS 110 HD3 LYS 110 9.173 -6.694 -17.826 9 HE2 LYS 110 HE2 LYS 110 8.601 -4.557 -18.851 10 HE3 LYS 110 HE3 LYS 110 9.662 -3.721 -17.722 11 HZ1 LYS 110 HZ1 LYS 110 10.597 -5.762 -19.658 12 HZ2 LYS 110 HZ2 LYS 110 10.629 -4.095 -19.953 13 HZ3 LYS 110 HZ3 LYS 110 11.553 -4.755 -18.692 No H/Q in entry = 13 In of MODEL 19 1 H GLN 111 H GLN 111 6.851 -1.550 -14.820 2 HA GLN 111 HA GLN 111 8.598 -0.320 -12.959 3 HB2 GLN 111 HB2 GLN 111 7.516 0.846 -14.889 4 HB3 GLN 111 HB3 GLN 111 5.978 0.750 -14.043 5 HG2 GLN 111 HG2 GLN 111 6.947 2.947 -13.802 6 HG3 GLN 111 HG3 GLN 111 6.888 2.130 -12.240 7 HE21 GLN 111 HE21 GLN 111 8.780 1.608 -11.198 8 HE22 GLN 111 HE22 GLN 111 10.334 2.142 -11.746 No H/Q in entry = 8 In of MODEL 19 1 H TYR 112 H TYR 112 5.271 -1.449 -12.799 2 HA TYR 112 HA TYR 112 4.753 -0.587 -10.135 3 HB2 TYR 112 HB2 TYR 112 3.503 -2.670 -11.918 4 HB3 TYR 112 HB3 TYR 112 2.977 -2.456 -10.255 5 HD1 TYR 112 HD1 TYR 112 2.590 0.209 -9.702 6 HD2 TYR 112 HD2 TYR 112 2.176 -1.661 -13.501 7 HE1 TYR 112 HE1 TYR 112 1.060 2.000 -10.410 8 HE2 TYR 112 HE2 TYR 112 0.646 0.124 -14.219 9 HH TYR 112 HH TYR 112 -0.933 1.780 -13.077 No H/Q in entry = 9 In of MODEL 19 1 H ILE 113 H ILE 113 6.091 -3.522 -11.566 2 HA ILE 113 HA ILE 113 6.249 -5.095 -9.273 3 HB ILE 113 HB ILE 113 8.111 -4.982 -11.637 4 HG12 ILE 113 HG12 ILE 113 5.813 -6.795 -10.886 5 HG13 ILE 113 HG13 ILE 113 5.815 -5.589 -12.168 6 HG21 ILE 113 HG21 ILE 113 7.935 -7.063 -9.454 7 HG22 ILE 113 HG22 ILE 113 8.897 -7.197 -10.926 8 HG23 ILE 113 HG23 ILE 113 9.282 -5.958 -9.733 9 HD11 ILE 113 HD11 ILE 113 7.621 -7.980 -12.088 10 HD12 ILE 113 HD12 ILE 113 6.090 -7.905 -12.959 11 HD13 ILE 113 HD13 ILE 113 7.415 -6.840 -13.416 No H/Q in entry = 11 In of MODEL 19 1 H ALA 114 H ALA 114 8.632 -2.777 -10.566 2 HA ALA 114 HA ALA 114 10.502 -3.142 -8.462 3 HB1 ALA 114 HB1 ALA 114 11.191 -2.256 -10.614 4 HB2 ALA 114 HB2 ALA 114 11.561 -1.094 -9.341 5 HB3 ALA 114 HB3 ALA 114 10.163 -0.840 -10.387 No H/Q in entry = 5 In of MODEL 19 1 H ASP 115 H ASP 115 7.896 -0.827 -9.008 2 HA ASP 115 HA ASP 115 8.568 0.781 -6.746 3 HB2 ASP 115 HB2 ASP 115 6.128 0.655 -8.508 4 HB3 ASP 115 HB3 ASP 115 6.243 1.755 -7.140 No H/Q in entry = 4 In of MODEL 19 1 H PHE 116 H PHE 116 5.864 -1.471 -7.334 2 HA PHE 116 HA PHE 116 5.195 -1.151 -4.504 3 HB2 PHE 116 HB2 PHE 116 3.588 -1.273 -6.878 4 HB3 PHE 116 HB3 PHE 116 3.148 -2.611 -5.825 5 HD1 PHE 116 HD1 PHE 116 2.397 -2.141 -3.505 6 HD2 PHE 116 HD2 PHE 116 2.935 0.936 -6.394 7 HE1 PHE 116 HE1 PHE 116 0.974 -0.650 -2.167 8 HE2 PHE 116 HE2 PHE 116 1.511 2.439 -5.055 9 HZ PHE 116 HZ PHE 116 0.521 1.639 -2.942 No H/Q in entry = 9 In of MODEL 19 1 H GLY 117 H GLY 117 6.403 -3.434 -6.742 2 HA2 GLY 117 HA2 GLY 117 7.076 -5.626 -6.459 3 HA3 GLY 117 HA3 GLY 117 5.414 -5.866 -5.963 No H/Q in entry = 3 In of MODEL 19 1 HA PRO 118 HA PRO 118 8.660 -6.734 -2.529 2 HB2 PRO 118 HB2 PRO 118 9.948 -4.137 -1.994 3 HB3 PRO 118 HB3 PRO 118 10.680 -5.727 -2.228 4 HG2 PRO 118 HG2 PRO 118 10.877 -3.816 -4.095 5 HG3 PRO 118 HG3 PRO 118 10.706 -5.526 -4.530 6 HD2 PRO 118 HD2 PRO 118 8.640 -3.357 -4.527 7 HD3 PRO 118 HD3 PRO 118 8.914 -4.650 -5.714 No H/Q in entry = 7 In of MODEL 19 1 H ALA 119 H ALA 119 6.985 -3.675 -2.539 2 HA ALA 119 HA ALA 119 6.681 -3.602 0.346 3 HB1 ALA 119 HB1 ALA 119 5.310 -1.622 -0.068 4 HB2 ALA 119 HB2 ALA 119 5.391 -1.921 -1.805 5 HB3 ALA 119 HB3 ALA 119 6.855 -1.514 -0.910 No H/Q in entry = 5 In of MODEL 19 1 H CYS 120 H CYS 120 4.740 -4.398 -2.484 2 HA CYS 120 HA CYS 120 2.370 -5.123 -1.172 3 HB2 CYS 120 HB2 CYS 120 3.638 -6.216 -3.685 4 HB3 CYS 120 HB3 CYS 120 2.029 -6.669 -3.134 No H/Q in entry = 4 In of MODEL 19 1 H LYS 121 H LYS 121 5.454 -6.693 -1.414 2 HA LYS 121 HA LYS 121 4.842 -9.306 -0.680 3 HB2 LYS 121 HB2 LYS 121 7.100 -8.233 -1.299 4 HB3 LYS 121 HB3 LYS 121 7.226 -7.816 0.403 5 HG2 LYS 121 HG2 LYS 121 8.448 -9.833 -0.008 6 HG3 LYS 121 HG3 LYS 121 7.025 -10.217 0.963 7 HD2 LYS 121 HD2 LYS 121 5.866 -11.063 -0.960 8 HD3 LYS 121 HD3 LYS 121 7.145 -10.496 -2.036 9 HE2 LYS 121 HE2 LYS 121 7.520 -12.575 0.116 10 HE3 LYS 121 HE3 LYS 121 7.203 -12.942 -1.578 11 HZ1 LYS 121 HZ1 LYS 121 9.544 -11.419 -0.567 12 HZ2 LYS 121 HZ2 LYS 121 9.569 -13.032 -1.060 13 HZ3 LYS 121 HZ3 LYS 121 9.241 -11.815 -2.182 No H/Q in entry = 13 In of MODEL 19 1 H LYS 122 H LYS 122 5.776 -6.651 1.575 2 HA LYS 122 HA LYS 122 5.028 -8.094 3.897 3 HB2 LYS 122 HB2 LYS 122 5.159 -5.949 5.086 4 HB3 LYS 122 HB3 LYS 122 6.553 -6.202 4.051 5 HG2 LYS 122 HG2 LYS 122 5.593 -4.700 2.385 6 HG3 LYS 122 HG3 LYS 122 4.190 -4.453 3.423 7 HD2 LYS 122 HD2 LYS 122 5.565 -2.587 3.797 8 HD3 LYS 122 HD3 LYS 122 5.829 -3.634 5.188 9 HE2 LYS 122 HE2 LYS 122 7.636 -3.726 2.793 10 HE3 LYS 122 HE3 LYS 122 7.867 -2.532 4.065 11 HZ1 LYS 122 HZ1 LYS 122 8.002 -4.419 5.652 12 HZ2 LYS 122 HZ2 LYS 122 7.998 -5.481 4.338 13 HZ3 LYS 122 HZ3 LYS 122 9.258 -4.376 4.527 No H/Q in entry = 13 In of MODEL 19 1 H ILE 123 H ILE 123 3.246 -6.086 1.659 2 HA ILE 123 HA ILE 123 1.003 -5.614 3.285 3 HB ILE 123 HB ILE 123 1.257 -5.632 0.305 4 HG12 ILE 123 HG12 ILE 123 1.007 -3.391 2.316 5 HG13 ILE 123 HG13 ILE 123 2.527 -3.937 1.613 6 HG21 ILE 123 HG21 ILE 123 -1.074 -4.769 2.007 7 HG22 ILE 123 HG22 ILE 123 -0.905 -4.447 0.279 8 HG23 ILE 123 HG23 ILE 123 -1.054 -6.107 0.860 9 HD11 ILE 123 HD11 ILE 123 0.227 -2.902 0.005 10 HD12 ILE 123 HD12 ILE 123 1.556 -1.898 0.583 11 HD13 ILE 123 HD13 ILE 123 1.868 -3.220 -0.543 No H/Q in entry = 11 In of MODEL 19 1 H TYR 124 H TYR 124 1.652 -8.032 0.880 2 HA TYR 124 HA TYR 124 -0.647 -9.661 1.474 3 HB2 TYR 124 HB2 TYR 124 1.697 -9.948 -0.387 4 HB3 TYR 124 HB3 TYR 124 0.589 -11.285 -0.096 5 HD1 TYR 124 HD1 TYR 124 -1.994 -10.569 -0.326 6 HD2 TYR 124 HD2 TYR 124 1.283 -8.612 -2.199 7 HE1 TYR 124 HE1 TYR 124 -3.516 -9.663 -2.031 8 HE2 TYR 124 HE2 TYR 124 -0.229 -7.700 -3.907 9 HH TYR 124 HH TYR 124 -2.443 -8.291 -4.904 No H/Q in entry = 9 In of MODEL 19 1 H GLY 125 H GLY 125 0.995 -9.184 3.687 2 HA2 GLY 125 HA2 GLY 125 2.386 -10.167 5.318 3 HA3 GLY 125 HA3 GLY 125 3.476 -9.656 4.063 No H/Q in entry = 3 In of MODEL 19 1 H VAL 126 H VAL 126 2.590 -11.931 2.343 2 HA VAL 126 HA VAL 126 3.588 -14.337 3.440 3 HB VAL 126 HB VAL 126 3.953 -15.003 1.064 4 HG11 VAL 126 HG11 VAL 126 1.722 -15.184 2.141 5 HG12 VAL 126 HG12 VAL 126 1.310 -13.606 1.475 6 HG13 VAL 126 HG13 VAL 126 1.639 -14.961 0.394 7 HG21 VAL 126 HG21 VAL 126 4.692 -12.842 0.189 8 HG22 VAL 126 HG22 VAL 126 3.317 -13.453 -0.728 9 HG23 VAL 126 HG23 VAL 126 3.086 -12.169 0.458 No H/Q in entry = 9 In of MODEL 19 1 H HIS 127 H HIS 127 5.313 -12.319 4.322 2 HA HIS 127 HA HIS 127 7.656 -12.273 2.600 3 HB2 HIS 127 HB2 HIS 127 6.873 -10.211 3.737 4 HB3 HIS 127 HB3 HIS 127 7.191 -10.967 5.292 5 HD1 HIS 127 HD1 HIS 127 9.238 -10.003 6.258 6 HD2 HIS 127 HD2 HIS 127 9.549 -10.433 2.137 7 HE1 HIS 127 HE1 HIS 127 11.547 -9.209 5.668 8 HE2 HIS 127 HE2 HIS 127 11.677 -9.375 3.162 No H/Q in entry = 8 In of MODEL 19 1 H THR 128 H THR 128 6.453 -14.061 5.224 2 HA THR 128 HA THR 128 9.021 -14.838 6.281 3 HB THR 128 HB THR 128 7.512 -16.550 7.520 4 HG1 THR 128 HG1 THR 128 5.314 -15.147 7.489 5 HG21 THR 128 HG21 THR 128 7.173 -13.580 7.952 6 HG22 THR 128 HG22 THR 128 6.830 -14.836 9.141 7 HG23 THR 128 HG23 THR 128 8.483 -14.579 8.583 No H/Q in entry = 7 In of MODEL 19 1 H SER 129 H SER 129 9.193 -17.381 6.618 2 HA SER 129 HA SER 129 8.614 -18.726 4.081 3 HB2 SER 129 HB2 SER 129 10.963 -19.699 4.204 4 HB3 SER 129 HB3 SER 129 10.864 -17.990 3.775 5 HG SER 129 HG SER 129 11.152 -18.753 6.470 No H/Q in entry = 5 In of MODEL 20 1 HA2 GLY -4 HA2 GLY -4 0.191 14.302 -22.885 2 HA3 GLY -4 HA3 GLY -4 -0.761 13.978 -24.328 3 H1 GLY -4 H1 GLY -4 0.664 15.886 -24.634 4 H2 GLY -4 H2 GLY -4 -0.033 16.661 -23.306 No H/Q in entry = 4 In of MODEL 20 1 H SER -3 H SER -3 -1.340 13.173 -21.629 2 HA SER -3 HA SER -3 -3.916 14.550 -21.281 3 HB2 SER -3 HB2 SER -3 -3.168 11.707 -20.552 4 HB3 SER -3 HB3 SER -3 -4.765 12.432 -20.396 5 HG SER -3 HG SER -3 -5.015 11.647 -22.336 No H/Q in entry = 5 In of MODEL 20 1 HA PRO -2 HA PRO -2 -1.681 15.645 -17.469 2 HB2 PRO -2 HB2 PRO -2 -3.143 17.835 -16.890 3 HB3 PRO -2 HB3 PRO -2 -1.855 17.845 -18.100 4 HG2 PRO -2 HG2 PRO -2 -4.810 17.629 -18.483 5 HG3 PRO -2 HG3 PRO -2 -3.630 18.588 -19.394 6 HD2 PRO -2 HD2 PRO -2 -4.610 16.205 -20.270 7 HD3 PRO -2 HD3 PRO -2 -2.988 16.796 -20.682 No H/Q in entry = 7 In of MODEL 20 1 H GLU -1 H GLU -1 -5.058 15.060 -17.998 2 HA GLU -1 HA GLU -1 -5.477 14.641 -15.114 3 HB2 GLU -1 HB2 GLU -1 -7.425 15.276 -17.332 4 HB3 GLU -1 HB3 GLU -1 -7.928 14.771 -15.726 5 HG2 GLU -1 HG2 GLU -1 -6.271 17.207 -16.330 6 HG3 GLU -1 HG3 GLU -1 -8.012 17.203 -16.043 No H/Q in entry = 6 In of MODEL 20 1 H PHE 0 H PHE 0 -4.132 12.716 -16.633 2 HA PHE 0 HA PHE 0 -5.907 10.727 -17.621 3 HB2 PHE 0 HB2 PHE 0 -3.478 11.037 -18.279 4 HB3 PHE 0 HB3 PHE 0 -3.050 10.317 -16.734 5 HD1 PHE 0 HD1 PHE 0 -5.847 9.290 -18.941 6 HD2 PHE 0 HD2 PHE 0 -1.970 8.363 -17.449 7 HE1 PHE 0 HE1 PHE 0 -5.999 7.051 -19.946 8 HE2 PHE 0 HE2 PHE 0 -2.114 6.126 -18.459 9 HZ PHE 0 HZ PHE 0 -4.132 5.468 -19.709 No H/Q in entry = 9 In of MODEL 20 1 H HIS 1 H HIS 1 -4.263 11.283 -14.538 2 HA HIS 1 HA HIS 1 -4.557 10.377 -12.459 3 HB2 HIS 1 HB2 HIS 1 -6.835 11.415 -13.041 4 HB3 HIS 1 HB3 HIS 1 -7.380 9.773 -13.344 5 HD1 HIS 1 HD1 HIS 1 -6.820 12.217 -10.662 6 HD2 HIS 1 HD2 HIS 1 -7.434 8.118 -10.964 7 HE1 HIS 1 HE1 HIS 1 -7.465 11.458 -8.356 8 HE2 HIS 1 HE2 HIS 1 -8.007 9.013 -8.605 No H/Q in entry = 8 In of MODEL 20 1 H HIS 2 H HIS 2 -3.194 8.642 -13.761 2 HA HIS 2 HA HIS 2 -4.621 6.078 -13.853 3 HB2 HIS 2 HB2 HIS 2 -3.275 6.985 -15.842 4 HB3 HIS 2 HB3 HIS 2 -1.841 6.621 -14.887 5 HD1 HIS 2 HD1 HIS 2 -0.858 4.448 -15.506 6 HD2 HIS 2 HD2 HIS 2 -4.983 4.467 -15.987 7 HE1 HIS 2 HE1 HIS 2 -1.438 2.193 -16.443 8 HE2 HIS 2 HE2 HIS 2 -3.913 2.309 -16.916 No H/Q in entry = 8 In of MODEL 20 1 H PHE 3 H PHE 3 -4.624 5.452 -11.750 2 HA PHE 3 HA PHE 3 -3.904 4.637 -9.769 3 HB2 PHE 3 HB2 PHE 3 -1.516 4.024 -11.495 4 HB3 PHE 3 HB3 PHE 3 -1.535 3.621 -9.781 5 HD1 PHE 3 HD1 PHE 3 -3.102 1.944 -8.919 6 HD2 PHE 3 HD2 PHE 3 -2.796 2.790 -13.077 7 HE1 PHE 3 HE1 PHE 3 -4.283 -0.149 -9.431 8 HE2 PHE 3 HE2 PHE 3 -3.978 0.697 -13.596 9 HZ PHE 3 HZ PHE 3 -4.701 -0.794 -11.750 No H/Q in entry = 9 In of MODEL 20 1 H THR 4 H THR 4 -3.707 7.424 -10.106 2 HA THR 4 HA THR 4 -1.234 8.344 -9.015 3 HB THR 4 HB THR 4 -2.426 10.486 -8.660 4 HG1 THR 4 HG1 THR 4 -4.544 10.594 -8.756 5 HG21 THR 4 HG21 THR 4 -2.902 9.240 -11.365 6 HG22 THR 4 HG22 THR 4 -2.910 10.971 -11.016 7 HG23 THR 4 HG23 THR 4 -1.424 10.039 -10.835 No H/Q in entry = 7 In of MODEL 20 1 H LEU 5 H LEU 5 -0.956 9.192 -6.856 2 HA LEU 5 HA LEU 5 -1.509 7.329 -4.941 3 HB2 LEU 5 HB2 LEU 5 0.190 9.255 -4.993 4 HB3 LEU 5 HB3 LEU 5 -1.074 10.227 -4.275 5 HG LEU 5 HG LEU 5 0.648 9.294 -2.687 6 HD11 LEU 5 HD11 LEU 5 -1.500 10.117 -1.890 7 HD12 LEU 5 HD12 LEU 5 -2.215 8.529 -2.161 8 HD13 LEU 5 HD13 LEU 5 -0.955 8.731 -0.946 9 HD21 LEU 5 HD21 LEU 5 0.836 7.073 -3.719 10 HD22 LEU 5 HD22 LEU 5 0.467 6.984 -1.997 11 HD23 LEU 5 HD23 LEU 5 -0.804 6.702 -3.187 No H/Q in entry = 11 In of MODEL 20 1 H GLU 6 H GLU 6 -3.270 10.382 -5.430 2 HA GLU 6 HA GLU 6 -5.199 10.399 -3.519 3 HB2 GLU 6 HB2 GLU 6 -5.762 10.744 -6.473 4 HB3 GLU 6 HB3 GLU 6 -6.744 11.368 -5.159 5 HG2 GLU 6 HG2 GLU 6 -5.302 13.064 -4.694 6 HG3 GLU 6 HG3 GLU 6 -3.895 12.172 -5.278 No H/Q in entry = 6 In of MODEL 20 1 H SER 7 H SER 7 -5.046 8.062 -6.201 2 HA SER 7 HA SER 7 -7.724 7.370 -6.318 3 HB2 SER 7 HB2 SER 7 -5.399 5.524 -6.854 4 HB3 SER 7 HB3 SER 7 -7.027 5.399 -7.520 5 HG SER 7 HG SER 7 -5.026 7.317 -8.062 No H/Q in entry = 5 In of MODEL 20 1 H SER 8 H SER 8 -5.566 6.577 -3.746 2 HA SER 8 HA SER 8 -7.170 4.239 -3.049 3 HB2 SER 8 HB2 SER 8 -5.371 3.891 -1.291 4 HB3 SER 8 HB3 SER 8 -4.894 3.707 -2.985 5 HG SER 8 HG SER 8 -3.792 5.564 -2.910 No H/Q in entry = 5 In of MODEL 20 1 H LEU 9 H LEU 9 -6.775 7.512 -2.044 2 HA LEU 9 HA LEU 9 -6.661 7.375 0.635 3 HB2 LEU 9 HB2 LEU 9 -7.708 9.428 -1.232 4 HB3 LEU 9 HB3 LEU 9 -7.723 9.704 0.501 5 HG LEU 9 HG LEU 9 -5.750 10.659 -0.634 6 HD11 LEU 9 HD11 LEU 9 -5.672 10.010 1.736 7 HD12 LEU 9 HD12 LEU 9 -5.081 8.420 1.250 8 HD13 LEU 9 HD13 LEU 9 -4.099 9.858 0.951 9 HD21 LEU 9 HD21 LEU 9 -5.450 8.925 -2.340 10 HD22 LEU 9 HD22 LEU 9 -3.975 9.295 -1.448 11 HD23 LEU 9 HD23 LEU 9 -4.886 7.833 -1.077 No H/Q in entry = 11 In of MODEL 20 1 H ASP 10 H ASP 10 -9.665 7.239 -1.129 2 HA ASP 10 HA ASP 10 -11.108 7.052 1.421 3 HB2 ASP 10 HB2 ASP 10 -12.087 7.350 -1.426 4 HB3 ASP 10 HB3 ASP 10 -13.154 7.143 -0.043 No H/Q in entry = 4 In of MODEL 20 1 H THR 11 H THR 11 -9.499 4.972 -0.380 2 HA THR 11 HA THR 11 -11.375 2.823 0.285 3 HB THR 11 HB THR 11 -10.463 1.561 -1.715 4 HG1 THR 11 HG1 THR 11 -9.773 4.124 -2.721 5 HG21 THR 11 HG21 THR 11 -12.708 2.533 -1.714 6 HG22 THR 11 HG22 THR 11 -12.048 4.076 -2.258 7 HG23 THR 11 HG23 THR 11 -11.967 2.664 -3.312 No H/Q in entry = 7 In of MODEL 20 1 H HIS 12 H HIS 12 -8.305 2.384 -1.280 2 HA HIS 12 HA HIS 12 -7.439 0.508 0.575 3 HB2 HIS 12 HB2 HIS 12 -5.658 2.005 -1.338 4 HB3 HIS 12 HB3 HIS 12 -5.388 0.399 -0.668 5 HD1 HIS 12 HD1 HIS 12 -7.842 -1.121 -1.251 6 HD2 HIS 12 HD2 HIS 12 -6.378 1.699 -3.931 7 HE1 HIS 12 HE1 HIS 12 -8.865 -1.703 -3.471 8 HE2 HIS 12 HE2 HIS 12 -7.835 -0.093 -5.108 No H/Q in entry = 8 In of MODEL 20 1 H LEU 13 H LEU 13 -6.818 3.976 0.401 2 HA LEU 13 HA LEU 13 -4.999 3.655 2.693 3 HB2 LEU 13 HB2 LEU 13 -5.120 5.752 0.561 4 HB3 LEU 13 HB3 LEU 13 -4.267 6.015 2.067 5 HG LEU 13 HG LEU 13 -3.642 3.961 -0.047 6 HD11 LEU 13 HD11 LEU 13 -2.860 6.220 -0.510 7 HD12 LEU 13 HD12 LEU 13 -2.070 6.280 1.067 8 HD13 LEU 13 HD13 LEU 13 -1.509 5.141 -0.158 9 HD21 LEU 13 HD21 LEU 13 -2.450 4.285 2.703 10 HD22 LEU 13 HD22 LEU 13 -3.319 2.884 2.080 11 HD23 LEU 13 HD23 LEU 13 -1.747 3.313 1.411 No H/Q in entry = 11 In of MODEL 20 1 H LYS 14 H LYS 14 -7.943 3.886 2.633 2 HA LYS 14 HA LYS 14 -8.812 6.405 3.492 3 HB2 LYS 14 HB2 LYS 14 -10.180 4.509 2.539 4 HB3 LYS 14 HB3 LYS 14 -10.075 3.741 4.114 5 HG2 LYS 14 HG2 LYS 14 -11.175 5.666 5.116 6 HG3 LYS 14 HG3 LYS 14 -11.283 6.405 3.520 7 HD2 LYS 14 HD2 LYS 14 -13.403 5.364 4.130 8 HD3 LYS 14 HD3 LYS 14 -12.677 4.549 2.747 9 HE2 LYS 14 HE2 LYS 14 -13.582 2.913 4.276 10 HE3 LYS 14 HE3 LYS 14 -11.824 2.798 4.256 11 HZ1 LYS 14 HZ1 LYS 14 -13.407 4.218 6.330 12 HZ2 LYS 14 HZ2 LYS 14 -12.756 2.665 6.506 13 HZ3 LYS 14 HZ3 LYS 14 -11.732 3.998 6.330 No H/Q in entry = 13 In of MODEL 20 1 H TRP 15 H TRP 15 -7.239 3.846 5.159 2 HA TRP 15 HA TRP 15 -8.173 4.449 7.795 3 HB2 TRP 15 HB2 TRP 15 -6.310 2.911 8.481 4 HB3 TRP 15 HB3 TRP 15 -7.427 2.210 7.310 5 HD1 TRP 15 HD1 TRP 15 -6.534 1.941 4.781 6 HE1 TRP 15 HE1 TRP 15 -4.158 1.735 3.833 7 HE3 TRP 15 HE3 TRP 15 -3.903 3.619 8.828 8 HZ2 TRP 15 HZ2 TRP 15 -1.506 2.208 4.692 9 HZ3 TRP 15 HZ3 TRP 15 -1.450 3.706 8.685 10 HH2 TRP 15 HH2 TRP 15 -0.275 3.013 6.660 No H/Q in entry = 10 In of MODEL 20 1 H LEU 16 H LEU 16 -6.032 6.008 5.735 2 HA LEU 16 HA LEU 16 -4.176 6.999 7.700 3 HB2 LEU 16 HB2 LEU 16 -4.919 8.132 4.993 4 HB3 LEU 16 HB3 LEU 16 -3.555 8.631 5.967 5 HG LEU 16 HG LEU 16 -3.872 5.881 4.756 6 HD11 LEU 16 HD11 LEU 16 -3.619 7.627 3.057 7 HD12 LEU 16 HD12 LEU 16 -2.175 8.212 3.877 8 HD13 LEU 16 HD13 LEU 16 -2.187 6.603 3.157 9 HD21 LEU 16 HD21 LEU 16 -1.566 7.225 6.163 10 HD22 LEU 16 HD22 LEU 16 -2.470 5.816 6.717 11 HD23 LEU 16 HD23 LEU 16 -1.453 5.702 5.278 No H/Q in entry = 11 In of MODEL 20 1 H SER 17 H SER 17 -4.216 8.985 8.690 2 HA SER 17 HA SER 17 -6.834 10.126 9.097 3 HB2 SER 17 HB2 SER 17 -5.768 11.553 10.741 4 HB3 SER 17 HB3 SER 17 -5.147 9.918 10.940 5 HG SER 17 HG SER 17 -3.347 11.106 10.922 No H/Q in entry = 5 In of MODEL 20 1 H GLN 18 H GLN 18 -7.099 12.598 8.919 2 HA GLN 18 HA GLN 18 -6.689 13.338 6.250 3 HB2 GLN 18 HB2 GLN 18 -8.420 14.334 7.771 4 HB3 GLN 18 HB3 GLN 18 -7.136 15.205 8.598 5 HG2 GLN 18 HG2 GLN 18 -8.192 16.702 7.082 6 HG3 GLN 18 HG3 GLN 18 -6.592 16.321 6.448 7 HE21 GLN 18 HE21 GLN 18 -7.148 16.839 4.349 8 HE22 GLN 18 HE22 GLN 18 -8.215 15.863 3.397 No H/Q in entry = 8 In of MODEL 20 1 H GLU 19 H GLU 19 -4.931 14.230 9.186 2 HA GLU 19 HA GLU 19 -3.100 15.961 8.011 3 HB2 GLU 19 HB2 GLU 19 -2.866 14.163 10.422 4 HB3 GLU 19 HB3 GLU 19 -1.733 15.420 10.014 5 HG2 GLU 19 HG2 GLU 19 -3.600 17.060 10.143 6 HG3 GLU 19 HG3 GLU 19 -4.604 15.753 10.771 No H/Q in entry = 6 In of MODEL 20 1 H GLN 20 H GLN 20 -3.090 12.425 8.273 2 HA GLN 20 HA GLN 20 -0.428 12.147 7.267 3 HB2 GLN 20 HB2 GLN 20 -2.715 10.164 7.391 4 HB3 GLN 20 HB3 GLN 20 -1.072 9.752 6.920 5 HG2 GLN 20 HG2 GLN 20 -0.251 10.336 9.104 6 HG3 GLN 20 HG3 GLN 20 -1.848 10.907 9.587 7 HE21 GLN 20 HE21 GLN 20 -0.213 8.865 10.818 8 HE22 GLN 20 HE22 GLN 20 -1.143 7.405 10.780 No H/Q in entry = 8 In of MODEL 20 1 H LYS 21 H LYS 21 -3.674 11.920 5.823 2 HA LYS 21 HA LYS 21 -2.931 11.311 3.201 3 HB2 LYS 21 HB2 LYS 21 -5.186 13.106 4.128 4 HB3 LYS 21 HB3 LYS 21 -5.033 12.431 2.515 5 HG2 LYS 21 HG2 LYS 21 -5.131 10.144 3.606 6 HG3 LYS 21 HG3 LYS 21 -5.604 10.982 5.086 7 HD2 LYS 21 HD2 LYS 21 -7.554 11.879 4.055 8 HD3 LYS 21 HD3 LYS 21 -7.034 11.344 2.461 9 HE2 LYS 21 HE2 LYS 21 -8.644 9.782 3.036 10 HE3 LYS 21 HE3 LYS 21 -7.140 8.974 3.468 11 HZ1 LYS 21 HZ1 LYS 21 -8.795 10.485 5.404 12 HZ2 LYS 21 HZ2 LYS 21 -8.949 8.822 5.151 13 HZ3 LYS 21 HZ3 LYS 21 -7.498 9.454 5.750 No H/Q in entry = 13 In of MODEL 20 1 H ASP 22 H ASP 22 -3.391 14.441 4.742 2 HA ASP 22 HA ASP 22 -2.593 16.072 2.590 3 HB2 ASP 22 HB2 ASP 22 -3.862 16.966 4.443 4 HB3 ASP 22 HB3 ASP 22 -2.597 16.524 5.577 No H/Q in entry = 4 In of MODEL 20 1 H GLU 23 H GLU 23 -0.707 14.621 5.261 2 HA GLU 23 HA GLU 23 1.766 15.760 4.680 3 HB2 GLU 23 HB2 GLU 23 0.822 13.901 6.453 4 HB3 GLU 23 HB3 GLU 23 1.809 12.911 5.380 5 HG2 GLU 23 HG2 GLU 23 3.697 14.325 5.747 6 HG3 GLU 23 HG3 GLU 23 2.716 15.421 6.712 No H/Q in entry = 6 In of MODEL 20 1 H LEU 24 H LEU 24 0.421 12.684 3.414 2 HA LEU 24 HA LEU 24 2.529 12.142 1.666 3 HB2 LEU 24 HB2 LEU 24 -0.330 11.309 1.879 4 HB3 LEU 24 HB3 LEU 24 0.604 10.836 0.475 5 HG LEU 24 HG LEU 24 2.143 9.613 1.843 6 HD11 LEU 24 HD11 LEU 24 2.092 11.175 3.769 7 HD12 LEU 24 HD12 LEU 24 0.620 10.354 4.285 8 HD13 LEU 24 HD13 LEU 24 2.139 9.455 4.157 9 HD21 LEU 24 HD21 LEU 24 -0.703 9.051 2.592 10 HD22 LEU 24 HD22 LEU 24 0.157 8.431 1.182 11 HD23 LEU 24 HD23 LEU 24 0.639 7.926 2.803 No H/Q in entry = 11 In of MODEL 20 1 H LEU 25 H LEU 25 -0.555 13.842 1.125 2 HA LEU 25 HA LEU 25 -0.237 14.315 -1.612 3 HB2 LEU 25 HB2 LEU 25 -1.642 15.962 0.489 4 HB3 LEU 25 HB3 LEU 25 -1.776 16.246 -1.233 5 HG LEU 25 HG LEU 25 -2.668 13.752 0.212 6 HD11 LEU 25 HD11 LEU 25 -4.246 15.981 -1.061 7 HD12 LEU 25 HD12 LEU 25 -4.919 14.500 -0.381 8 HD13 LEU 25 HD13 LEU 25 -4.103 15.660 0.667 9 HD21 LEU 25 HD21 LEU 25 -2.870 14.523 -2.696 10 HD22 LEU 25 HD22 LEU 25 -1.898 13.217 -2.019 11 HD23 LEU 25 HD23 LEU 25 -3.659 13.131 -1.953 No H/Q in entry = 11 In of MODEL 20 1 H LYS 26 H LYS 26 0.904 16.108 1.195 2 HA LYS 26 HA LYS 26 1.941 18.356 -0.146 3 HB2 LYS 26 HB2 LYS 26 1.609 18.302 2.269 4 HB3 LYS 26 HB3 LYS 26 2.830 17.046 2.422 5 HG2 LYS 26 HG2 LYS 26 4.510 18.640 1.539 6 HG3 LYS 26 HG3 LYS 26 3.267 19.893 1.545 7 HD2 LYS 26 HD2 LYS 26 4.671 20.022 3.543 8 HD3 LYS 26 HD3 LYS 26 3.004 19.626 3.958 9 HE2 LYS 26 HE2 LYS 26 3.596 17.276 4.168 10 HE3 LYS 26 HE3 LYS 26 5.255 17.638 3.702 11 HZ1 LYS 26 HZ1 LYS 26 5.428 19.044 5.688 12 HZ2 LYS 26 HZ2 LYS 26 3.864 18.596 6.145 13 HZ3 LYS 26 HZ3 LYS 26 5.093 17.436 6.079 No H/Q in entry = 13 In of MODEL 20 1 H MET 27 H MET 27 3.500 15.327 0.873 2 HA MET 27 HA MET 27 6.000 15.830 -0.180 3 HB2 MET 27 HB2 MET 27 4.586 13.169 -0.006 4 HB3 MET 27 HB3 MET 27 6.309 13.379 -0.274 5 HG2 MET 27 HG2 MET 27 6.172 14.741 1.956 6 HG3 MET 27 HG3 MET 27 4.704 13.793 2.190 7 HE1 MET 27 HE1 MET 27 5.541 11.181 0.567 8 HE2 MET 27 HE2 MET 27 6.243 10.128 1.798 9 HE3 MET 27 HE3 MET 27 4.749 11.007 2.133 No H/Q in entry = 9 In of MODEL 20 1 H LYS 28 H LYS 28 3.309 14.117 -1.817 2 HA LYS 28 HA LYS 28 4.690 13.664 -4.237 3 HB2 LYS 28 HB2 LYS 28 2.529 12.607 -3.391 4 HB3 LYS 28 HB3 LYS 28 1.721 14.041 -4.009 5 HG2 LYS 28 HG2 LYS 28 2.531 13.579 -6.241 6 HG3 LYS 28 HG3 LYS 28 3.441 12.188 -5.647 7 HD2 LYS 28 HD2 LYS 28 1.289 11.184 -4.903 8 HD3 LYS 28 HD3 LYS 28 0.447 12.524 -5.679 9 HE2 LYS 28 HE2 LYS 28 2.232 10.504 -7.025 10 HE3 LYS 28 HE3 LYS 28 0.475 10.588 -7.138 11 HZ1 LYS 28 HZ1 LYS 28 0.728 12.789 -8.178 12 HZ2 LYS 28 HZ2 LYS 28 2.409 12.601 -8.148 13 HZ3 LYS 28 HZ3 LYS 28 1.459 11.561 -9.079 No H/Q in entry = 13 In of MODEL 20 1 H LYS 29 H LYS 29 2.628 16.323 -3.145 2 HA LYS 29 HA LYS 29 2.571 17.677 -5.614 3 HB2 LYS 29 HB2 LYS 29 0.956 18.035 -3.759 4 HB3 LYS 29 HB3 LYS 29 2.216 18.873 -2.867 5 HG2 LYS 29 HG2 LYS 29 0.689 20.432 -3.960 6 HG3 LYS 29 HG3 LYS 29 2.330 20.583 -4.591 7 HD2 LYS 29 HD2 LYS 29 1.719 19.243 -6.535 8 HD3 LYS 29 HD3 LYS 29 0.088 19.041 -5.899 9 HE2 LYS 29 HE2 LYS 29 1.345 21.691 -6.589 10 HE3 LYS 29 HE3 LYS 29 0.274 20.784 -7.656 11 HZ1 LYS 29 HZ1 LYS 29 -0.455 21.805 -4.964 12 HZ2 LYS 29 HZ2 LYS 29 -0.902 22.511 -6.433 13 HZ3 LYS 29 HZ3 LYS 29 -1.478 20.977 -6.023 No H/Q in entry = 13 In of MODEL 20 1 H ASP 30 H ASP 30 4.895 17.730 -2.995 2 HA ASP 30 HA ASP 30 6.166 20.100 -4.103 3 HB2 ASP 30 HB2 ASP 30 5.925 19.850 -1.638 4 HB3 ASP 30 HB3 ASP 30 6.995 18.454 -1.699 No H/Q in entry = 4 In of MODEL 20 1 H GLY 31 H GLY 31 6.212 16.937 -4.802 2 HA2 GLY 31 HA2 GLY 31 8.694 17.323 -6.274 3 HA3 GLY 31 HA3 GLY 31 7.451 16.137 -6.630 No H/Q in entry = 3 In of MODEL 20 1 H LYS 32 H LYS 32 7.512 15.436 -3.645 2 HA LYS 32 HA LYS 32 10.004 14.094 -3.335 3 HB2 LYS 32 HB2 LYS 32 7.329 13.666 -1.994 4 HB3 LYS 32 HB3 LYS 32 8.783 12.776 -1.571 5 HG2 LYS 32 HG2 LYS 32 8.389 15.753 -1.330 6 HG3 LYS 32 HG3 LYS 32 8.403 14.586 -0.006 7 HD2 LYS 32 HD2 LYS 32 10.736 14.007 -0.593 8 HD3 LYS 32 HD3 LYS 32 10.707 15.253 -1.840 9 HE2 LYS 32 HE2 LYS 32 11.780 16.180 0.073 10 HE3 LYS 32 HE3 LYS 32 10.183 16.918 -0.053 11 HZ1 LYS 32 HZ1 LYS 32 9.392 15.375 1.644 12 HZ2 LYS 32 HZ2 LYS 32 10.941 14.706 1.778 13 HZ3 LYS 32 HZ3 LYS 32 10.674 16.316 2.218 No H/Q in entry = 13 In of MODEL 20 1 H ALA 33 H ALA 33 10.381 11.894 -3.581 2 HA ALA 33 HA ALA 33 9.393 10.883 -6.051 3 HB1 ALA 33 HB1 ALA 33 11.693 10.474 -5.247 4 HB2 ALA 33 HB2 ALA 33 10.847 8.989 -5.683 5 HB3 ALA 33 HB3 ALA 33 11.038 9.428 -3.988 No H/Q in entry = 5 In of MODEL 20 1 H LYS 34 H LYS 34 8.150 9.040 -6.459 2 HA LYS 34 HA LYS 34 5.957 8.477 -4.856 3 HB2 LYS 34 HB2 LYS 34 6.085 7.903 -7.226 4 HB3 LYS 34 HB3 LYS 34 7.356 6.739 -6.900 5 HG2 LYS 34 HG2 LYS 34 5.205 5.669 -7.301 6 HG3 LYS 34 HG3 LYS 34 5.814 5.339 -5.680 7 HD2 LYS 34 HD2 LYS 34 4.266 6.820 -4.692 8 HD3 LYS 34 HD3 LYS 34 3.853 7.547 -6.248 9 HE2 LYS 34 HE2 LYS 34 2.144 5.953 -5.332 10 HE3 LYS 34 HE3 LYS 34 2.717 5.578 -6.956 11 HZ1 LYS 34 HZ1 LYS 34 3.695 4.291 -4.458 12 HZ2 LYS 34 HZ2 LYS 34 2.583 3.610 -5.537 13 HZ3 LYS 34 HZ3 LYS 34 4.177 3.896 -6.038 No H/Q in entry = 13 In of MODEL 20 1 H LYS 35 H LYS 35 9.131 6.972 -4.981 2 HA LYS 35 HA LYS 35 8.762 4.847 -3.240 3 HB2 LYS 35 HB2 LYS 35 10.775 5.360 -4.655 4 HB3 LYS 35 HB3 LYS 35 11.241 6.551 -3.453 5 HG2 LYS 35 HG2 LYS 35 12.474 4.502 -3.133 6 HG3 LYS 35 HG3 LYS 35 11.392 4.788 -1.769 7 HD2 LYS 35 HD2 LYS 35 11.341 2.446 -2.421 8 HD3 LYS 35 HD3 LYS 35 9.781 3.206 -2.729 9 HE2 LYS 35 HE2 LYS 35 10.368 3.446 -5.093 10 HE3 LYS 35 HE3 LYS 35 11.931 2.691 -4.782 11 HZ1 LYS 35 HZ1 LYS 35 10.723 0.694 -4.053 12 HZ2 LYS 35 HZ2 LYS 35 9.263 1.424 -4.495 13 HZ3 LYS 35 HZ3 LYS 35 10.427 1.076 -5.672 No H/Q in entry = 13 In of MODEL 20 1 H GLU 36 H GLU 36 8.667 8.199 -2.508 2 HA GLU 36 HA GLU 36 9.380 7.827 0.283 3 HB2 GLU 36 HB2 GLU 36 8.497 10.331 -1.149 4 HB3 GLU 36 HB3 GLU 36 9.210 10.235 0.458 5 HG2 GLU 36 HG2 GLU 36 11.239 9.254 -0.571 6 HG3 GLU 36 HG3 GLU 36 10.523 9.546 -2.144 No H/Q in entry = 6 In of MODEL 20 1 H LEU 37 H LEU 37 6.618 8.234 -1.749 2 HA LEU 37 HA LEU 37 4.662 8.585 0.224 3 HB2 LEU 37 HB2 LEU 37 4.660 7.345 -2.516 4 HB3 LEU 37 HB3 LEU 37 3.202 7.532 -1.566 5 HG LEU 37 HG LEU 37 3.586 9.267 -3.304 6 HD11 LEU 37 HD11 LEU 37 2.106 9.590 -1.359 7 HD12 LEU 37 HD12 LEU 37 3.467 10.305 -0.494 8 HD13 LEU 37 HD13 LEU 37 2.822 11.097 -1.930 9 HD21 LEU 37 HD21 LEU 37 5.969 9.603 -3.105 10 HD22 LEU 37 HD22 LEU 37 5.093 11.113 -2.860 11 HD23 LEU 37 HD23 LEU 37 5.745 10.238 -1.474 No H/Q in entry = 11 In of MODEL 20 1 H GLU 38 H GLU 38 5.988 5.667 -1.310 2 HA GLU 38 HA GLU 38 4.453 3.816 0.192 3 HB2 GLU 38 HB2 GLU 38 6.887 3.637 -1.498 4 HB3 GLU 38 HB3 GLU 38 6.613 2.335 -0.348 5 HG2 GLU 38 HG2 GLU 38 5.681 1.725 -2.464 6 HG3 GLU 38 HG3 GLU 38 4.372 1.997 -1.315 No H/Q in entry = 6 In of MODEL 20 1 H ALA 39 H ALA 39 6.960 5.860 1.075 2 HA ALA 39 HA ALA 39 8.042 4.074 3.088 3 HB1 ALA 39 HB1 ALA 39 8.780 6.946 2.529 4 HB2 ALA 39 HB2 ALA 39 9.682 5.786 3.504 5 HB3 ALA 39 HB3 ALA 39 9.529 5.545 1.765 No H/Q in entry = 5 In of MODEL 20 1 H LYS 40 H LYS 40 6.252 7.126 2.973 2 HA LYS 40 HA LYS 40 6.052 7.426 5.777 3 HB2 LYS 40 HB2 LYS 40 5.617 9.122 3.849 4 HB3 LYS 40 HB3 LYS 40 4.002 8.434 3.824 5 HG2 LYS 40 HG2 LYS 40 3.936 10.384 5.171 6 HG3 LYS 40 HG3 LYS 40 3.803 8.991 6.246 7 HD2 LYS 40 HD2 LYS 40 5.313 10.537 7.255 8 HD3 LYS 40 HD3 LYS 40 6.269 9.185 6.654 9 HE2 LYS 40 HE2 LYS 40 6.802 10.510 4.634 10 HE3 LYS 40 HE3 LYS 40 5.915 11.867 5.322 11 HZ1 LYS 40 HZ1 LYS 40 7.470 11.873 7.182 12 HZ2 LYS 40 HZ2 LYS 40 8.328 10.593 6.492 13 HZ3 LYS 40 HZ3 LYS 40 8.274 12.091 5.713 No H/Q in entry = 13 In of MODEL 20 1 H ILE 41 H ILE 41 3.984 5.955 3.294 2 HA ILE 41 HA ILE 41 1.844 5.235 4.950 3 HB ILE 41 HB ILE 41 2.858 3.971 2.408 4 HG12 ILE 41 HG12 ILE 41 0.560 5.870 2.893 5 HG13 ILE 41 HG13 ILE 41 2.151 6.362 2.316 6 HG21 ILE 41 HG21 ILE 41 0.220 3.588 3.817 7 HG22 ILE 41 HG22 ILE 41 0.629 2.967 2.218 8 HG23 ILE 41 HG23 ILE 41 1.493 2.381 3.640 9 HD11 ILE 41 HD11 ILE 41 1.854 4.988 0.336 10 HD12 ILE 41 HD12 ILE 41 0.261 4.498 0.915 11 HD13 ILE 41 HD13 ILE 41 0.567 6.183 0.500 No H/Q in entry = 11 In of MODEL 20 1 H LEU 42 H LEU 42 4.690 3.343 3.918 2 HA LEU 42 HA LEU 42 4.001 1.000 5.308 3 HB2 LEU 42 HB2 LEU 42 6.650 2.086 4.397 4 HB3 LEU 42 HB3 LEU 42 6.499 0.532 5.180 5 HG LEU 42 HG LEU 42 5.361 1.364 2.525 6 HD11 LEU 42 HD11 LEU 42 7.349 -0.747 3.314 7 HD12 LEU 42 HD12 LEU 42 6.749 -0.456 1.682 8 HD13 LEU 42 HD13 LEU 42 7.700 0.777 2.504 9 HD21 LEU 42 HD21 LEU 42 4.832 -1.120 4.144 10 HD22 LEU 42 HD22 LEU 42 3.657 0.023 3.501 11 HD23 LEU 42 HD23 LEU 42 4.559 -1.025 2.404 No H/Q in entry = 11 In of MODEL 20 1 H HIS 43 H HIS 43 5.746 3.876 6.271 2 HA HIS 43 HA HIS 43 6.526 2.982 8.839 3 HB2 HIS 43 HB2 HIS 43 7.401 5.031 7.671 4 HB3 HIS 43 HB3 HIS 43 5.864 5.818 8.008 5 HD1 HIS 43 HD1 HIS 43 6.297 7.461 9.802 6 HD2 HIS 43 HD2 HIS 43 8.246 3.860 10.501 7 HE1 HIS 43 HE1 HIS 43 7.413 7.722 12.035 8 HE2 HIS 43 HE2 HIS 43 8.496 5.495 12.489 No H/Q in entry = 8 In of MODEL 20 1 H TYR 44 H TYR 44 3.676 4.896 7.761 2 HA TYR 44 HA TYR 44 2.280 5.035 10.155 3 HB2 TYR 44 HB2 TYR 44 1.221 4.630 7.351 4 HB3 TYR 44 HB3 TYR 44 0.208 5.013 8.733 5 HD1 TYR 44 HD1 TYR 44 2.166 6.983 10.016 6 HD2 TYR 44 HD2 TYR 44 0.733 6.534 6.046 7 HE1 TYR 44 HE1 TYR 44 2.501 9.373 9.638 8 HE2 TYR 44 HE2 TYR 44 1.068 8.932 5.637 9 HH TYR 44 HH TYR 44 2.883 10.909 7.591 No H/Q in entry = 9 In of MODEL 20 1 H TYR 45 H TYR 45 2.220 2.555 7.677 2 HA TYR 45 HA TYR 45 0.294 0.837 8.609 3 HB2 TYR 45 HB2 TYR 45 1.289 0.699 6.391 4 HB3 TYR 45 HB3 TYR 45 2.846 0.277 7.086 5 HD1 TYR 45 HD1 TYR 45 -0.660 -0.930 7.130 6 HD2 TYR 45 HD2 TYR 45 3.465 -1.919 7.033 7 HE1 TYR 45 HE1 TYR 45 -1.249 -3.301 6.957 8 HE2 TYR 45 HE2 TYR 45 2.895 -4.303 6.859 9 HH TYR 45 HH TYR 45 1.194 -5.813 7.124 No H/Q in entry = 9 In of MODEL 20 1 H ASP 46 H ASP 46 3.779 0.795 9.335 2 HA ASP 46 HA ASP 46 3.570 -1.586 10.893 3 HB2 ASP 46 HB2 ASP 46 5.678 -0.935 9.764 4 HB3 ASP 46 HB3 ASP 46 5.785 0.486 10.792 No H/Q in entry = 4 In of MODEL 20 1 H GLU 47 H GLU 47 3.031 1.740 11.620 2 HA GLU 47 HA GLU 47 3.476 1.357 14.462 3 HB2 GLU 47 HB2 GLU 47 2.510 3.756 12.901 4 HB3 GLU 47 HB3 GLU 47 2.854 3.745 14.624 5 HG2 GLU 47 HG2 GLU 47 5.194 3.253 14.161 6 HG3 GLU 47 HG3 GLU 47 4.849 3.236 12.431 No H/Q in entry = 6 In of MODEL 20 1 H LEU 48 H LEU 48 1.102 0.380 12.506 2 HA LEU 48 HA LEU 48 -1.225 1.576 13.569 3 HB2 LEU 48 HB2 LEU 48 -0.682 -0.816 11.858 4 HB3 LEU 48 HB3 LEU 48 -2.305 -0.415 12.351 5 HG LEU 48 HG LEU 48 -0.483 1.354 10.739 6 HD11 LEU 48 HD11 LEU 48 -1.310 -0.583 9.513 7 HD12 LEU 48 HD12 LEU 48 -2.960 -0.182 9.989 8 HD13 LEU 48 HD13 LEU 48 -2.058 0.908 8.936 9 HD21 LEU 48 HD21 LEU 48 -3.308 1.720 11.717 10 HD22 LEU 48 HD22 LEU 48 -1.903 2.712 12.106 11 HD23 LEU 48 HD23 LEU 48 -2.555 2.711 10.468 No H/Q in entry = 11 In of MODEL 20 1 H GLU 49 H GLU 49 -2.844 -0.682 13.887 2 HA GLU 49 HA GLU 49 -2.185 -1.786 16.462 3 HB2 GLU 49 HB2 GLU 49 -4.240 0.423 16.203 4 HB3 GLU 49 HB3 GLU 49 -4.053 -0.597 17.618 5 HG2 GLU 49 HG2 GLU 49 -1.815 1.088 16.563 6 HG3 GLU 49 HG3 GLU 49 -3.019 1.717 17.688 No H/Q in entry = 6 In of MODEL 20 1 H GLY 50 H GLY 50 -3.413 -3.578 16.815 2 HA2 GLY 50 HA2 GLY 50 -5.999 -4.001 16.910 3 HA3 GLY 50 HA3 GLY 50 -4.950 -5.260 16.305 No H/Q in entry = 3 In of MODEL 20 1 H ASP 51 H ASP 51 -7.576 -3.264 15.636 2 HA ASP 51 HA ASP 51 -8.091 -4.667 13.187 3 HB2 ASP 51 HB2 ASP 51 -10.215 -3.573 13.154 4 HB3 ASP 51 HB3 ASP 51 -9.878 -3.992 14.826 No H/Q in entry = 4 In of MODEL 20 1 H ALA 52 H ALA 52 -6.731 -1.557 13.994 2 HA ALA 52 HA ALA 52 -7.225 -0.288 11.511 3 HB1 ALA 52 HB1 ALA 52 -4.915 0.148 13.417 4 HB2 ALA 52 HB2 ALA 52 -5.395 1.231 12.111 5 HB3 ALA 52 HB3 ALA 52 -6.474 0.970 13.482 No H/Q in entry = 5 In of MODEL 20 1 H LYS 53 H LYS 53 -4.615 -2.242 12.779 2 HA LYS 53 HA LYS 53 -2.908 -2.259 10.547 3 HB2 LYS 53 HB2 LYS 53 -2.339 -2.991 12.864 4 HB3 LYS 53 HB3 LYS 53 -3.289 -4.442 12.584 5 HG2 LYS 53 HG2 LYS 53 -1.019 -4.985 12.247 6 HG3 LYS 53 HG3 LYS 53 -1.786 -4.968 10.667 7 HD2 LYS 53 HD2 LYS 53 -0.858 -2.777 10.217 8 HD3 LYS 53 HD3 LYS 53 -0.173 -2.709 11.841 9 HE2 LYS 53 HE2 LYS 53 0.578 -4.655 9.662 10 HE3 LYS 53 HE3 LYS 53 1.540 -3.289 10.219 11 HZ1 LYS 53 HZ1 LYS 53 1.658 -4.352 12.413 12 HZ2 LYS 53 HZ2 LYS 53 0.811 -5.687 11.814 13 HZ3 LYS 53 HZ3 LYS 53 2.344 -5.314 11.202 No H/Q in entry = 13 In of MODEL 20 1 H LYS 54 H LYS 54 -5.186 -4.736 11.672 2 HA LYS 54 HA LYS 54 -5.069 -6.457 9.512 3 HB2 LYS 54 HB2 LYS 54 -6.491 -7.589 10.763 4 HB3 LYS 54 HB3 LYS 54 -6.590 -6.209 11.844 5 HG2 LYS 54 HG2 LYS 54 -8.536 -5.403 10.812 6 HG3 LYS 54 HG3 LYS 54 -8.328 -6.458 9.408 7 HD2 LYS 54 HD2 LYS 54 -8.675 -8.403 10.836 8 HD3 LYS 54 HD3 LYS 54 -8.898 -7.346 12.229 9 HE2 LYS 54 HE2 LYS 54 -10.835 -6.314 11.093 10 HE3 LYS 54 HE3 LYS 54 -10.637 -7.455 9.764 11 HZ1 LYS 54 HZ1 LYS 54 -11.018 -9.267 11.334 12 HZ2 LYS 54 HZ2 LYS 54 -11.244 -8.154 12.585 13 HZ3 LYS 54 HZ3 LYS 54 -12.333 -8.205 11.294 No H/Q in entry = 13 In of MODEL 20 1 H GLU 55 H GLU 55 -7.232 -3.648 9.936 2 HA GLU 55 HA GLU 55 -8.573 -4.030 7.492 3 HB2 GLU 55 HB2 GLU 55 -8.372 -1.858 9.511 4 HB3 GLU 55 HB3 GLU 55 -8.872 -1.375 7.901 5 HG2 GLU 55 HG2 GLU 55 -10.521 -3.429 8.236 6 HG3 GLU 55 HG3 GLU 55 -10.281 -2.991 9.926 No H/Q in entry = 6 In of MODEL 20 1 H ALA 56 H ALA 56 -5.848 -1.925 8.413 2 HA ALA 56 HA ALA 56 -5.671 -0.703 5.924 3 HB1 ALA 56 HB1 ALA 56 -3.376 -0.087 6.534 4 HB2 ALA 56 HB2 ALA 56 -3.400 -1.268 7.844 5 HB3 ALA 56 HB3 ALA 56 -4.466 0.135 7.901 No H/Q in entry = 5 In of MODEL 20 1 H THR 57 H THR 57 -3.888 -3.504 7.194 2 HA THR 57 HA THR 57 -2.376 -4.177 5.019 3 HB THR 57 HB THR 57 -3.872 -6.132 6.779 4 HG1 THR 57 HG1 THR 57 -2.688 -4.872 8.145 5 HG21 THR 57 HG21 THR 57 -1.351 -6.403 5.141 6 HG22 THR 57 HG22 THR 57 -1.962 -7.612 6.271 7 HG23 THR 57 HG23 THR 57 -2.899 -7.193 4.840 No H/Q in entry = 7 In of MODEL 20 1 H GLU 58 H GLU 58 -5.711 -5.154 5.689 2 HA GLU 58 HA GLU 58 -6.060 -6.643 3.275 3 HB2 GLU 58 HB2 GLU 58 -7.928 -5.602 5.392 4 HB3 GLU 58 HB3 GLU 58 -8.520 -6.444 3.960 5 HG2 GLU 58 HG2 GLU 58 -7.195 -8.396 4.545 6 HG3 GLU 58 HG3 GLU 58 -6.548 -7.548 5.949 No H/Q in entry = 6 In of MODEL 20 1 H HIS 59 H HIS 59 -6.293 -3.260 4.024 2 HA HIS 59 HA HIS 59 -7.924 -2.668 1.713 3 HB2 HIS 59 HB2 HIS 59 -6.449 -0.927 3.689 4 HB3 HIS 59 HB3 HIS 59 -7.245 -0.261 2.270 5 HD1 HIS 59 HD1 HIS 59 -9.843 -1.977 2.371 6 HD2 HIS 59 HD2 HIS 59 -8.151 -0.042 5.637 7 HE1 HIS 59 HE1 HIS 59 -11.711 -1.682 4.025 8 HE2 HIS 59 HE2 HIS 59 -10.616 -0.708 6.074 No H/Q in entry = 8 In of MODEL 20 1 H LEU 60 H LEU 60 -4.535 -2.105 2.664 2 HA LEU 60 HA LEU 60 -3.531 -1.353 0.223 3 HB2 LEU 60 HB2 LEU 60 -2.358 -2.800 2.564 4 HB3 LEU 60 HB3 LEU 60 -1.402 -2.477 1.130 5 HG LEU 60 HG LEU 60 -1.912 -0.087 1.406 6 HD11 LEU 60 HD11 LEU 60 -3.927 -0.211 2.643 7 HD12 LEU 60 HD12 LEU 60 -3.060 -0.892 4.024 8 HD13 LEU 60 HD13 LEU 60 -2.727 0.761 3.502 9 HD21 LEU 60 HD21 LEU 60 0.205 -0.993 2.186 10 HD22 LEU 60 HD22 LEU 60 -0.351 0.301 3.249 11 HD23 LEU 60 HD23 LEU 60 -0.537 -1.384 3.740 No H/Q in entry = 11 In of MODEL 20 1 H LYS 61 H LYS 61 -4.298 -4.594 1.428 2 HA LYS 61 HA LYS 61 -2.987 -6.070 -0.565 3 HB2 LYS 61 HB2 LYS 61 -5.333 -6.627 1.211 4 HB3 LYS 61 HB3 LYS 61 -4.953 -7.742 -0.093 5 HG2 LYS 61 HG2 LYS 61 -2.696 -8.034 0.832 6 HG3 LYS 61 HG3 LYS 61 -3.117 -6.945 2.157 7 HD2 LYS 61 HD2 LYS 61 -4.839 -8.457 2.911 8 HD3 LYS 61 HD3 LYS 61 -4.567 -9.511 1.523 9 HE2 LYS 61 HE2 LYS 61 -2.309 -9.980 2.314 10 HE3 LYS 61 HE3 LYS 61 -2.555 -8.906 3.687 11 HZ1 LYS 61 HZ1 LYS 61 -4.106 -11.381 3.148 12 HZ2 LYS 61 HZ2 LYS 61 -2.867 -11.229 4.286 13 HZ3 LYS 61 HZ3 LYS 61 -4.303 -10.361 4.479 No H/Q in entry = 13 In of MODEL 20 1 H GLY 62 H GLY 62 -6.401 -5.036 -0.404 2 HA2 GLY 62 HA2 GLY 62 -7.863 -4.472 -2.084 3 HA3 GLY 62 HA3 GLY 62 -7.149 -5.813 -2.970 No H/Q in entry = 3 In of MODEL 20 1 H GLY 63 H GLY 63 -5.609 -2.823 -1.879 2 HA2 GLY 63 HA2 GLY 63 -4.401 -1.250 -3.013 3 HA3 GLY 63 HA3 GLY 63 -5.587 -1.435 -4.298 No H/Q in entry = 3 In of MODEL 20 1 H CYS 64 H CYS 64 -3.027 -3.484 -2.935 2 HA CYS 64 HA CYS 64 -1.432 -3.319 -5.278 3 HB2 CYS 64 HB2 CYS 64 -0.394 -3.719 -3.136 4 HB3 CYS 64 HB3 CYS 64 -1.322 -5.204 -2.921 No H/Q in entry = 4 In of MODEL 20 1 H ARG 65 H ARG 65 -3.998 -5.427 -4.245 2 HA ARG 65 HA ARG 65 -3.653 -7.505 -6.094 3 HB2 ARG 65 HB2 ARG 65 -5.314 -7.608 -4.286 4 HB3 ARG 65 HB3 ARG 65 -6.233 -6.317 -5.047 5 HG2 ARG 65 HG2 ARG 65 -6.595 -7.766 -7.006 6 HG3 ARG 65 HG3 ARG 65 -5.741 -9.066 -6.173 7 HD2 ARG 65 HD2 ARG 65 -7.411 -9.058 -4.406 8 HD3 ARG 65 HD3 ARG 65 -8.242 -7.706 -5.176 9 HE ARG 65 HE ARG 65 -7.997 -9.878 -6.980 10 HH11 ARG 65 HH11 ARG 65 -9.796 -8.861 -4.147 11 HH12 ARG 65 HH12 ARG 65 -11.200 -9.801 -4.549 12 HH21 ARG 65 HH21 ARG 65 -9.847 -11.109 -7.514 13 HH22 ARG 65 HH22 ARG 65 -11.227 -11.085 -6.457 No H/Q in entry = 13 In of MODEL 20 1 H GLU 66 H GLU 66 -5.349 -4.393 -6.368 2 HA GLU 66 HA GLU 66 -6.100 -4.715 -9.075 3 HB2 GLU 66 HB2 GLU 66 -5.636 -2.186 -7.482 4 HB3 GLU 66 HB3 GLU 66 -6.376 -2.241 -9.074 5 HG2 GLU 66 HG2 GLU 66 -8.126 -3.757 -8.076 6 HG3 GLU 66 HG3 GLU 66 -7.451 -3.352 -6.499 No H/Q in entry = 6 In of MODEL 20 1 H ILE 67 H ILE 67 -3.149 -3.722 -7.519 2 HA ILE 67 HA ILE 67 -1.891 -2.701 -9.852 3 HB ILE 67 HB ILE 67 -0.645 -3.830 -7.345 4 HG12 ILE 67 HG12 ILE 67 -1.170 -0.991 -8.254 5 HG13 ILE 67 HG13 ILE 67 -2.057 -1.846 -7.000 6 HG21 ILE 67 HG21 ILE 67 0.915 -3.930 -9.243 7 HG22 ILE 67 HG22 ILE 67 0.622 -2.220 -9.567 8 HG23 ILE 67 HG23 ILE 67 1.408 -2.709 -8.066 9 HD11 ILE 67 HD11 ILE 67 -0.013 -1.970 -5.663 10 HD12 ILE 67 HD12 ILE 67 0.846 -1.077 -6.919 11 HD13 ILE 67 HD13 ILE 67 -0.473 -0.309 -6.034 No H/Q in entry = 11 In of MODEL 20 1 H LEU 68 H LEU 68 -1.642 -5.911 -8.246 2 HA LEU 68 HA LEU 68 -0.131 -7.136 -10.292 3 HB2 LEU 68 HB2 LEU 68 -1.506 -7.939 -7.913 4 HB3 LEU 68 HB3 LEU 68 -1.921 -9.052 -9.201 5 HG LEU 68 HG LEU 68 0.009 -9.806 -7.850 6 HD11 LEU 68 HD11 LEU 68 -0.272 -10.505 -10.192 7 HD12 LEU 68 HD12 LEU 68 0.718 -9.139 -10.702 8 HD13 LEU 68 HD13 LEU 68 1.423 -10.417 -9.714 9 HD21 LEU 68 HD21 LEU 68 0.944 -7.603 -7.332 10 HD22 LEU 68 HD22 LEU 68 2.150 -8.659 -8.066 11 HD23 LEU 68 HD23 LEU 68 1.387 -7.393 -9.026 No H/Q in entry = 11 In of MODEL 20 1 H LYS 69 H LYS 69 -3.501 -6.515 -9.876 2 HA LYS 69 HA LYS 69 -4.508 -7.936 -12.072 3 HB2 LYS 69 HB2 LYS 69 -5.799 -6.865 -10.159 4 HB3 LYS 69 HB3 LYS 69 -5.612 -5.339 -11.008 5 HG2 LYS 69 HG2 LYS 69 -6.849 -6.208 -12.900 6 HG3 LYS 69 HG3 LYS 69 -6.974 -7.779 -12.107 7 HD2 LYS 69 HD2 LYS 69 -8.263 -6.791 -10.297 8 HD3 LYS 69 HD3 LYS 69 -8.090 -5.194 -11.027 9 HE2 LYS 69 HE2 LYS 69 -9.485 -7.548 -12.289 10 HE3 LYS 69 HE3 LYS 69 -10.286 -6.201 -11.482 11 HZ1 LYS 69 HZ1 LYS 69 -9.213 -4.722 -13.137 12 HZ2 LYS 69 HZ2 LYS 69 -8.662 -6.095 -13.967 13 HZ3 LYS 69 HZ3 LYS 69 -10.320 -5.805 -13.806 No H/Q in entry = 13 In of MODEL 20 1 H HIS 70 H HIS 70 -2.467 -5.316 -11.924 2 HA HIS 70 HA HIS 70 -3.222 -4.274 -14.554 3 HB2 HIS 70 HB2 HIS 70 -3.078 -2.626 -12.700 4 HB3 HIS 70 HB3 HIS 70 -1.386 -3.059 -12.477 5 HD1 HIS 70 HD1 HIS 70 -3.673 -1.105 -14.642 6 HD2 HIS 70 HD2 HIS 70 0.366 -2.117 -14.486 7 HE1 HIS 70 HE1 HIS 70 -2.527 0.453 -16.242 8 HE2 HIS 70 HE2 HIS 70 -0.106 -0.242 -16.233 No H/Q in entry = 8 In of MODEL 20 1 H VAL 71 H VAL 71 -0.392 -5.032 -12.581 2 HA VAL 71 HA VAL 71 1.567 -4.793 -14.501 3 HB VAL 71 HB VAL 71 1.759 -6.827 -12.286 4 HG11 VAL 71 HG11 VAL 71 3.615 -6.557 -13.864 5 HG12 VAL 71 HG12 VAL 71 3.707 -4.853 -13.408 6 HG13 VAL 71 HG13 VAL 71 4.046 -6.105 -12.213 7 HG21 VAL 71 HG21 VAL 71 1.937 -3.834 -12.016 8 HG22 VAL 71 HG22 VAL 71 0.792 -4.908 -11.208 9 HG23 VAL 71 HG23 VAL 71 2.512 -4.987 -10.806 No H/Q in entry = 9 In of MODEL 20 1 H VAL 72 H VAL 72 0.177 -7.858 -13.283 2 HA VAL 72 HA VAL 72 1.336 -9.195 -15.555 3 HB VAL 72 HB VAL 72 1.263 -10.202 -13.235 4 HG11 VAL 72 HG11 VAL 72 -1.595 -10.767 -13.976 5 HG12 VAL 72 HG12 VAL 72 -0.717 -11.474 -12.618 6 HG13 VAL 72 HG13 VAL 72 -1.038 -9.742 -12.654 7 HG21 VAL 72 HG21 VAL 72 0.340 -11.641 -15.678 8 HG22 VAL 72 HG22 VAL 72 1.976 -11.484 -15.043 9 HG23 VAL 72 HG23 VAL 72 0.788 -12.468 -14.194 No H/Q in entry = 9 In of MODEL 20 1 H GLY 73 H GLY 73 -1.928 -8.413 -14.390 2 HA2 GLY 73 HA2 GLY 73 -2.927 -9.179 -17.058 3 HA3 GLY 73 HA3 GLY 73 -3.452 -7.717 -16.232 No H/Q in entry = 3 In of MODEL 20 1 H GLU 74 H GLU 74 -5.468 -9.073 -16.937 2 HA GLU 74 HA GLU 74 -6.828 -9.776 -14.584 3 HB2 GLU 74 HB2 GLU 74 -7.576 -10.524 -17.418 4 HB3 GLU 74 HB3 GLU 74 -8.659 -10.438 -16.038 5 HG2 GLU 74 HG2 GLU 74 -7.198 -8.107 -17.256 6 HG3 GLU 74 HG3 GLU 74 -8.890 -8.517 -17.532 No H/Q in entry = 6 In of MODEL 20 1 H GLU 75 H GLU 75 -5.584 -11.774 -17.217 2 HA GLU 75 HA GLU 75 -6.381 -14.324 -16.604 3 HB2 GLU 75 HB2 GLU 75 -5.057 -13.720 -18.554 4 HB3 GLU 75 HB3 GLU 75 -3.656 -13.454 -17.530 5 HG2 GLU 75 HG2 GLU 75 -3.651 -15.800 -16.895 6 HG3 GLU 75 HG3 GLU 75 -5.080 -16.076 -17.892 No H/Q in entry = 6 In of MODEL 20 1 H LYS 76 H LYS 76 -3.304 -12.952 -15.416 2 HA LYS 76 HA LYS 76 -2.856 -15.336 -13.907 3 HB2 LYS 76 HB2 LYS 76 -1.002 -14.184 -14.914 4 HB3 LYS 76 HB3 LYS 76 -1.359 -12.731 -13.998 5 HG2 LYS 76 HG2 LYS 76 0.551 -14.035 -13.126 6 HG3 LYS 76 HG3 LYS 76 -0.731 -13.778 -11.950 7 HD2 LYS 76 HD2 LYS 76 0.098 -16.070 -11.847 8 HD3 LYS 76 HD3 LYS 76 -1.570 -16.051 -12.422 9 HE2 LYS 76 HE2 LYS 76 -0.778 -16.241 -14.724 10 HE3 LYS 76 HE3 LYS 76 0.883 -16.251 -14.155 11 HZ1 LYS 76 HZ1 LYS 76 0.232 -18.282 -12.841 12 HZ2 LYS 76 HZ2 LYS 76 -1.194 -18.318 -13.758 13 HZ3 LYS 76 HZ3 LYS 76 0.311 -18.476 -14.517 No H/Q in entry = 13 In of MODEL 20 1 H ALA 77 H ALA 77 -3.772 -12.008 -13.077 2 HA ALA 77 HA ALA 77 -3.626 -12.275 -10.286 3 HB1 ALA 77 HB1 ALA 77 -5.138 -10.350 -10.201 4 HB2 ALA 77 HB2 ALA 77 -5.512 -10.559 -11.913 5 HB3 ALA 77 HB3 ALA 77 -3.881 -10.111 -11.414 No H/Q in entry = 5 In of MODEL 20 1 H ALA 78 H ALA 78 -6.014 -13.261 -12.625 2 HA ALA 78 HA ALA 78 -8.062 -13.973 -10.785 3 HB1 ALA 78 HB1 ALA 78 -7.475 -14.808 -13.625 4 HB2 ALA 78 HB2 ALA 78 -8.919 -15.308 -12.732 5 HB3 ALA 78 HB3 ALA 78 -8.635 -13.601 -13.073 No H/Q in entry = 5 In of MODEL 20 1 H GLU 79 H GLU 79 -5.417 -15.719 -12.364 2 HA GLU 79 HA GLU 79 -6.081 -18.266 -11.312 3 HB2 GLU 79 HB2 GLU 79 -3.341 -17.363 -12.190 4 HB3 GLU 79 HB3 GLU 79 -3.955 -19.009 -12.128 5 HG2 GLU 79 HG2 GLU 79 -5.692 -18.218 -13.826 6 HG3 GLU 79 HG3 GLU 79 -4.640 -16.822 -14.040 No H/Q in entry = 6 In of MODEL 20 1 H LEU 80 H LEU 80 -4.212 -15.585 -10.092 2 HA LEU 80 HA LEU 80 -2.986 -17.053 -7.971 3 HB2 LEU 80 HB2 LEU 80 -3.398 -14.089 -8.344 4 HB3 LEU 80 HB3 LEU 80 -2.358 -14.824 -7.134 5 HG LEU 80 HG LEU 80 -1.985 -15.206 -10.099 6 HD11 LEU 80 HD11 LEU 80 -0.708 -13.226 -8.235 7 HD12 LEU 80 HD12 LEU 80 -0.088 -13.628 -9.839 8 HD13 LEU 80 HD13 LEU 80 -1.686 -12.891 -9.667 9 HD21 LEU 80 HD21 LEU 80 -1.046 -16.960 -8.701 10 HD22 LEU 80 HD22 LEU 80 0.228 -15.993 -9.447 11 HD23 LEU 80 HD23 LEU 80 -0.184 -15.753 -7.748 No H/Q in entry = 11 In of MODEL 20 1 H LYS 81 H LYS 81 -5.897 -15.112 -8.322 2 HA LYS 81 HA LYS 81 -6.614 -15.083 -5.586 3 HB2 LYS 81 HB2 LYS 81 -7.564 -13.761 -7.661 4 HB3 LYS 81 HB3 LYS 81 -8.671 -15.119 -7.767 5 HG2 LYS 81 HG2 LYS 81 -8.315 -13.415 -5.311 6 HG3 LYS 81 HG3 LYS 81 -9.561 -13.157 -6.531 7 HD2 LYS 81 HD2 LYS 81 -10.459 -15.390 -6.070 8 HD3 LYS 81 HD3 LYS 81 -9.216 -15.638 -4.844 9 HE2 LYS 81 HE2 LYS 81 -10.093 -13.725 -3.586 10 HE3 LYS 81 HE3 LYS 81 -11.344 -13.502 -4.806 11 HZ1 LYS 81 HZ1 LYS 81 -12.172 -15.729 -4.276 12 HZ2 LYS 81 HZ2 LYS 81 -11.008 -15.874 -3.055 13 HZ3 LYS 81 HZ3 LYS 81 -12.218 -14.701 -2.933 No H/Q in entry = 13 In of MODEL 20 1 H ASN 82 H ASN 82 -7.514 -17.197 -8.300 2 HA ASN 82 HA ASN 82 -9.030 -19.007 -6.732 3 HB2 ASN 82 HB2 ASN 82 -9.188 -18.833 -9.222 4 HB3 ASN 82 HB3 ASN 82 -7.590 -19.553 -9.342 5 HD21 ASN 82 HD21 ASN 82 -10.936 -20.112 -8.644 6 HD22 ASN 82 HD22 ASN 82 -10.860 -21.838 -8.646 No H/Q in entry = 6 In of MODEL 20 1 H LEU 83 H LEU 83 -5.606 -18.739 -7.483 2 HA LEU 83 HA LEU 83 -4.807 -21.295 -6.644 3 HB2 LEU 83 HB2 LEU 83 -3.575 -18.798 -7.347 4 HB3 LEU 83 HB3 LEU 83 -2.811 -19.440 -5.915 5 HG LEU 83 HG LEU 83 -3.142 -21.002 -8.473 6 HD11 LEU 83 HD11 LEU 83 -0.773 -19.436 -7.465 7 HD12 LEU 83 HD12 LEU 83 -0.747 -20.554 -8.829 8 HD13 LEU 83 HD13 LEU 83 -1.729 -19.092 -8.908 9 HD21 LEU 83 HD21 LEU 83 -2.883 -22.354 -6.439 10 HD22 LEU 83 HD22 LEU 83 -1.485 -22.488 -7.504 11 HD23 LEU 83 HD23 LEU 83 -1.400 -21.480 -6.059 No H/Q in entry = 11 In of MODEL 20 1 H LYS 84 H LYS 84 -5.274 -18.256 -4.920 2 HA LYS 84 HA LYS 84 -4.350 -19.138 -2.400 3 HB2 LYS 84 HB2 LYS 84 -4.667 -16.753 -3.048 4 HB3 LYS 84 HB3 LYS 84 -6.404 -17.001 -2.998 5 HG2 LYS 84 HG2 LYS 84 -6.315 -17.456 -0.632 6 HG3 LYS 84 HG3 LYS 84 -4.553 -17.351 -0.650 7 HD2 LYS 84 HD2 LYS 84 -4.691 -15.005 -1.305 8 HD3 LYS 84 HD3 LYS 84 -6.453 -15.105 -1.333 9 HE2 LYS 84 HE2 LYS 84 -4.726 -15.571 1.094 10 HE3 LYS 84 HE3 LYS 84 -5.575 -14.069 0.731 11 HZ1 LYS 84 HZ1 LYS 84 -6.883 -16.704 1.131 12 HZ2 LYS 84 HZ2 LYS 84 -6.787 -15.480 2.295 13 HZ3 LYS 84 HZ3 LYS 84 -7.662 -15.226 0.875 No H/Q in entry = 13 In of MODEL 20 1 H ASP 85 H ASP 85 -7.613 -18.935 -3.800 2 HA ASP 85 HA ASP 85 -8.989 -20.011 -1.589 3 HB2 ASP 85 HB2 ASP 85 -10.075 -18.732 -3.401 4 HB3 ASP 85 HB3 ASP 85 -9.771 -20.071 -4.506 No H/Q in entry = 4 In of MODEL 20 1 H SER 86 H SER 86 -7.347 -21.582 -4.276 2 HA SER 86 HA SER 86 -8.608 -24.112 -3.714 3 HB2 SER 86 HB2 SER 86 -6.922 -24.989 -5.407 4 HB3 SER 86 HB3 SER 86 -8.064 -23.784 -5.999 5 HG SER 86 HG SER 86 -6.489 -22.269 -6.005 No H/Q in entry = 5 In of MODEL 20 1 H GLY 87 H GLY 87 -6.082 -22.381 -2.391 2 HA2 GLY 87 HA2 GLY 87 -5.207 -24.823 -0.977 3 HA3 GLY 87 HA3 GLY 87 -5.389 -23.257 -0.203 No H/Q in entry = 3 In of MODEL 20 1 H ALA 88 H ALA 88 -4.120 -21.709 -2.281 2 HA ALA 88 HA ALA 88 -1.435 -22.713 -2.357 3 HB1 ALA 88 HB1 ALA 88 -2.491 -19.977 -3.057 4 HB2 ALA 88 HB2 ALA 88 -2.211 -21.309 -4.176 5 HB3 ALA 88 HB3 ALA 88 -0.852 -20.547 -3.356 No H/Q in entry = 5 In of MODEL 20 1 H SER 89 H SER 89 -0.076 -22.476 -0.772 2 HA SER 89 HA SER 89 -0.581 -20.979 1.592 3 HB2 SER 89 HB2 SER 89 1.773 -21.750 2.139 4 HB3 SER 89 HB3 SER 89 0.623 -23.038 1.798 5 HG SER 89 HG SER 89 1.703 -23.547 0.060 No H/Q in entry = 5 In of MODEL 20 1 H LYS 90 H LYS 90 1.549 -19.669 2.383 2 HA LYS 90 HA LYS 90 1.595 -17.287 0.933 3 HB2 LYS 90 HB2 LYS 90 3.650 -18.380 2.859 4 HB3 LYS 90 HB3 LYS 90 3.620 -16.725 2.273 5 HG2 LYS 90 HG2 LYS 90 1.350 -16.493 3.290 6 HG3 LYS 90 HG3 LYS 90 1.583 -18.084 4.018 7 HD2 LYS 90 HD2 LYS 90 3.320 -15.652 4.445 8 HD3 LYS 90 HD3 LYS 90 2.167 -16.321 5.596 9 HE2 LYS 90 HE2 LYS 90 3.465 -18.329 5.816 10 HE3 LYS 90 HE3 LYS 90 4.544 -17.827 4.518 11 HZ1 LYS 90 HZ1 LYS 90 5.272 -15.975 5.886 12 HZ2 LYS 90 HZ2 LYS 90 4.245 -16.463 7.136 13 HZ3 LYS 90 HZ3 LYS 90 5.542 -17.447 6.675 No H/Q in entry = 13 In of MODEL 20 1 H GLU 91 H GLU 91 3.455 -20.202 0.579 2 HA GLU 91 HA GLU 91 5.634 -18.911 -0.742 3 HB2 GLU 91 HB2 GLU 91 5.042 -21.836 -0.382 4 HB3 GLU 91 HB3 GLU 91 6.558 -21.168 -0.975 5 HG2 GLU 91 HG2 GLU 91 5.365 -20.686 1.741 6 HG3 GLU 91 HG3 GLU 91 6.693 -21.767 1.358 No H/Q in entry = 6 In of MODEL 20 1 H GLU 92 H GLU 92 3.056 -21.118 -1.759 2 HA GLU 92 HA GLU 92 3.674 -21.358 -4.452 3 HB2 GLU 92 HB2 GLU 92 0.929 -21.306 -3.200 4 HB3 GLU 92 HB3 GLU 92 1.396 -22.087 -4.696 5 HG2 GLU 92 HG2 GLU 92 2.454 -22.845 -2.005 6 HG3 GLU 92 HG3 GLU 92 1.083 -23.611 -2.789 No H/Q in entry = 6 In of MODEL 20 1 H LEU 93 H LEU 93 1.662 -19.017 -2.687 2 HA LEU 93 HA LEU 93 1.203 -17.437 -5.022 3 HB2 LEU 93 HB2 LEU 93 1.061 -16.705 -2.095 4 HB3 LEU 93 HB3 LEU 93 0.607 -15.617 -3.400 5 HG LEU 93 HG LEU 93 -0.711 -18.223 -2.643 6 HD11 LEU 93 HD11 LEU 93 -1.708 -15.392 -2.786 7 HD12 LEU 93 HD12 LEU 93 -2.716 -16.811 -2.487 8 HD13 LEU 93 HD13 LEU 93 -1.457 -16.363 -1.332 9 HD21 LEU 93 HD21 LEU 93 -1.115 -16.543 -5.109 10 HD22 LEU 93 HD22 LEU 93 -0.606 -18.230 -5.030 11 HD23 LEU 93 HD23 LEU 93 -2.243 -17.780 -4.553 No H/Q in entry = 11 In of MODEL 20 1 H LYS 94 H LYS 94 3.769 -17.412 -2.508 2 HA LYS 94 HA LYS 94 4.780 -14.926 -3.335 3 HB2 LYS 94 HB2 LYS 94 5.348 -16.007 -1.179 4 HB3 LYS 94 HB3 LYS 94 6.263 -17.231 -2.037 5 HG2 LYS 94 HG2 LYS 94 6.992 -14.356 -2.364 6 HG3 LYS 94 HG3 LYS 94 7.482 -15.230 -0.912 7 HD2 LYS 94 HD2 LYS 94 8.595 -16.909 -2.301 8 HD3 LYS 94 HD3 LYS 94 8.101 -16.039 -3.754 9 HE2 LYS 94 HE2 LYS 94 9.382 -14.088 -2.996 10 HE3 LYS 94 HE3 LYS 94 9.900 -14.991 -1.573 11 HZ1 LYS 94 HZ1 LYS 94 10.954 -16.600 -3.076 12 HZ2 LYS 94 HZ2 LYS 94 10.528 -15.640 -4.408 13 HZ3 LYS 94 HZ3 LYS 94 11.602 -15.049 -3.237 No H/Q in entry = 13 In of MODEL 20 1 H ALA 95 H ALA 95 5.506 -18.192 -4.315 2 HA ALA 95 HA ALA 95 7.673 -17.327 -5.977 3 HB1 ALA 95 HB1 ALA 95 7.863 -19.431 -4.791 4 HB2 ALA 95 HB2 ALA 95 7.893 -19.723 -6.532 5 HB3 ALA 95 HB3 ALA 95 6.424 -20.049 -5.605 No H/Q in entry = 5 In of MODEL 20 1 H LYS 96 H LYS 96 4.456 -18.795 -6.510 2 HA LYS 96 HA LYS 96 4.646 -18.875 -9.322 3 HB2 LYS 96 HB2 LYS 96 2.459 -19.042 -7.359 4 HB3 LYS 96 HB3 LYS 96 1.998 -18.504 -8.959 5 HG2 LYS 96 HG2 LYS 96 1.815 -20.968 -8.561 6 HG3 LYS 96 HG3 LYS 96 2.766 -20.497 -9.968 7 HD2 LYS 96 HD2 LYS 96 4.820 -20.752 -8.584 8 HD3 LYS 96 HD3 LYS 96 3.812 -21.374 -7.283 9 HE2 LYS 96 HE2 LYS 96 4.828 -23.194 -8.551 10 HE3 LYS 96 HE3 LYS 96 3.075 -23.205 -8.734 11 HZ1 LYS 96 HZ1 LYS 96 4.919 -21.960 -10.700 12 HZ2 LYS 96 HZ2 LYS 96 4.339 -23.548 -10.831 13 HZ3 LYS 96 HZ3 LYS 96 3.261 -22.249 -10.884 No H/Q in entry = 13 In of MODEL 20 1 H VAL 97 H VAL 97 3.905 -16.278 -7.157 2 HA VAL 97 HA VAL 97 2.842 -14.441 -9.052 3 HB VAL 97 HB VAL 97 4.091 -14.076 -6.331 4 HG11 VAL 97 HG11 VAL 97 4.586 -12.092 -7.657 5 HG12 VAL 97 HG12 VAL 97 2.880 -11.942 -8.075 6 HG13 VAL 97 HG13 VAL 97 3.397 -11.746 -6.402 7 HG21 VAL 97 HG21 VAL 97 1.872 -15.105 -6.462 8 HG22 VAL 97 HG22 VAL 97 1.849 -13.541 -5.644 9 HG23 VAL 97 HG23 VAL 97 1.271 -13.674 -7.312 No H/Q in entry = 9 In of MODEL 20 1 H GLU 98 H GLU 98 6.103 -15.033 -7.735 2 HA GLU 98 HA GLU 98 7.390 -12.950 -9.100 3 HB2 GLU 98 HB2 GLU 98 8.471 -15.620 -8.203 4 HB3 GLU 98 HB3 GLU 98 9.469 -14.332 -8.869 5 HG2 GLU 98 HG2 GLU 98 8.568 -12.864 -7.018 6 HG3 GLU 98 HG3 GLU 98 7.914 -14.336 -6.302 No H/Q in entry = 6 In of MODEL 20 1 H GLU 99 H GLU 99 6.423 -16.148 -10.137 2 HA GLU 99 HA GLU 99 7.867 -16.171 -12.573 3 HB2 GLU 99 HB2 GLU 99 5.248 -17.523 -11.903 4 HB3 GLU 99 HB3 GLU 99 6.265 -17.899 -13.288 5 HG2 GLU 99 HG2 GLU 99 8.090 -18.484 -11.684 6 HG3 GLU 99 HG3 GLU 99 6.918 -18.300 -10.381 No H/Q in entry = 6 In of MODEL 20 1 H ALA 100 H ALA 100 4.734 -14.880 -11.641 2 HA ALA 100 HA ALA 100 4.003 -14.022 -14.268 3 HB1 ALA 100 HB1 ALA 100 2.341 -14.405 -12.539 4 HB2 ALA 100 HB2 ALA 100 2.280 -12.730 -13.086 5 HB3 ALA 100 HB3 ALA 100 3.047 -13.128 -11.551 No H/Q in entry = 5 In of MODEL 20 1 H LEU 101 H LEU 101 5.354 -12.421 -11.416 2 HA LEU 101 HA LEU 101 5.589 -9.848 -12.519 3 HB2 LEU 101 HB2 LEU 101 6.832 -11.263 -10.200 4 HB3 LEU 101 HB3 LEU 101 7.400 -9.670 -10.649 5 HG LEU 101 HG LEU 101 5.641 -9.844 -8.793 6 HD11 LEU 101 HD11 LEU 101 6.294 -7.744 -9.825 7 HD12 LEU 101 HD12 LEU 101 5.152 -8.023 -11.141 8 HD13 LEU 101 HD13 LEU 101 4.558 -7.768 -9.498 9 HD21 LEU 101 HD21 LEU 101 4.115 -11.380 -9.920 10 HD22 LEU 101 HD22 LEU 101 3.321 -9.859 -9.511 11 HD23 LEU 101 HD23 LEU 101 3.824 -10.173 -11.171 No H/Q in entry = 11 In of MODEL 20 1 H HIS 102 H HIS 102 7.532 -12.666 -12.971 2 HA HIS 102 HA HIS 102 9.696 -11.092 -14.090 3 HB2 HIS 102 HB2 HIS 102 9.251 -14.077 -13.926 4 HB3 HIS 102 HB3 HIS 102 10.638 -13.353 -14.732 5 HD1 HIS 102 HD1 HIS 102 11.102 -15.225 -12.376 6 HD2 HIS 102 HD2 HIS 102 10.678 -11.110 -11.986 7 HE1 HIS 102 HE1 HIS 102 12.201 -14.633 -10.195 8 HE2 HIS 102 HE2 HIS 102 12.076 -12.124 -10.059 No H/Q in entry = 8 In of MODEL 20 1 H ALA 103 H ALA 103 7.127 -13.284 -15.191 2 HA ALA 103 HA ALA 103 7.879 -13.290 -17.897 3 HB1 ALA 103 HB1 ALA 103 5.146 -13.846 -16.760 4 HB2 ALA 103 HB2 ALA 103 6.476 -15.005 -16.793 5 HB3 ALA 103 HB3 ALA 103 5.788 -14.405 -18.305 No H/Q in entry = 5 In of MODEL 20 1 H VAL 104 H VAL 104 6.583 -10.745 -16.163 2 HA VAL 104 HA VAL 104 5.023 -9.646 -18.302 3 HB VAL 104 HB VAL 104 4.273 -9.240 -16.062 4 HG11 VAL 104 HG11 VAL 104 6.455 -9.469 -14.994 5 HG12 VAL 104 HG12 VAL 104 6.897 -7.874 -15.600 6 HG13 VAL 104 HG13 VAL 104 5.572 -8.047 -14.446 7 HG21 VAL 104 HG21 VAL 104 5.434 -6.756 -17.292 8 HG22 VAL 104 HG22 VAL 104 3.843 -7.446 -17.611 9 HG23 VAL 104 HG23 VAL 104 4.212 -6.775 -16.022 No H/Q in entry = 9 In of MODEL 20 1 H THR 105 H THR 105 5.622 -7.919 -19.580 2 HA THR 105 HA THR 105 8.369 -6.947 -19.310 3 HB THR 105 HB THR 105 8.683 -7.297 -21.812 4 HG1 THR 105 HG1 THR 105 6.847 -7.958 -22.683 5 HG21 THR 105 HG21 THR 105 8.520 -9.728 -20.030 6 HG22 THR 105 HG22 THR 105 9.409 -9.633 -21.551 7 HG23 THR 105 HG23 THR 105 9.896 -8.635 -20.181 No H/Q in entry = 7 In of MODEL 20 1 H ASP 106 H ASP 106 5.240 -6.061 -19.648 2 HA ASP 106 HA ASP 106 5.682 -3.852 -21.431 3 HB2 ASP 106 HB2 ASP 106 3.436 -4.942 -20.970 4 HB3 ASP 106 HB3 ASP 106 3.478 -4.183 -19.386 No H/Q in entry = 4 In of MODEL 20 1 H GLU 107 H GLU 107 6.649 -2.033 -20.927 2 HA GLU 107 HA GLU 107 8.356 -1.912 -18.794 3 HB2 GLU 107 HB2 GLU 107 8.692 -0.684 -20.848 4 HB3 GLU 107 HB3 GLU 107 7.312 0.345 -20.499 5 HG2 GLU 107 HG2 GLU 107 8.495 1.202 -18.516 6 HG3 GLU 107 HG3 GLU 107 9.894 0.225 -18.964 No H/Q in entry = 6 In of MODEL 20 1 H GLU 108 H GLU 108 5.376 -0.057 -19.148 2 HA GLU 108 HA GLU 108 5.426 1.440 -16.822 3 HB2 GLU 108 HB2 GLU 108 3.748 1.782 -18.533 4 HB3 GLU 108 HB3 GLU 108 3.085 0.178 -18.258 5 HG2 GLU 108 HG2 GLU 108 2.618 0.991 -15.878 6 HG3 GLU 108 HG3 GLU 108 2.901 2.607 -16.525 No H/Q in entry = 6 In of MODEL 20 1 H LYS 109 H LYS 109 4.238 -1.832 -17.338 2 HA LYS 109 HA LYS 109 3.143 -2.272 -14.796 3 HB2 LYS 109 HB2 LYS 109 4.105 -4.087 -16.978 4 HB3 LYS 109 HB3 LYS 109 3.480 -4.725 -15.467 5 HG2 LYS 109 HG2 LYS 109 1.778 -4.683 -17.202 6 HG3 LYS 109 HG3 LYS 109 1.344 -3.641 -15.863 7 HD2 LYS 109 HD2 LYS 109 1.922 -1.699 -17.075 8 HD3 LYS 109 HD3 LYS 109 2.654 -2.639 -18.374 9 HE2 LYS 109 HE2 LYS 109 0.473 -3.536 -18.970 10 HE3 LYS 109 HE3 LYS 109 -0.269 -2.662 -17.630 11 HZ1 LYS 109 HZ1 LYS 109 0.404 -0.576 -18.676 12 HZ2 LYS 109 HZ2 LYS 109 1.080 -1.435 -19.977 13 HZ3 LYS 109 HZ3 LYS 109 -0.591 -1.487 -19.703 No H/Q in entry = 13 In of MODEL 20 1 H LYS 110 H LYS 110 6.363 -2.889 -16.119 2 HA LYS 110 HA LYS 110 7.305 -4.238 -13.784 3 HB2 LYS 110 HB2 LYS 110 8.848 -2.971 -16.041 4 HB3 LYS 110 HB3 LYS 110 9.532 -4.036 -14.825 5 HG2 LYS 110 HG2 LYS 110 7.998 -5.826 -15.636 6 HG3 LYS 110 HG3 LYS 110 7.510 -4.742 -16.941 7 HD2 LYS 110 HD2 LYS 110 10.324 -5.697 -16.398 8 HD3 LYS 110 HD3 LYS 110 9.261 -6.306 -17.666 9 HE2 LYS 110 HE2 LYS 110 9.268 -4.197 -18.786 10 HE3 LYS 110 HE3 LYS 110 10.100 -3.422 -17.441 11 HZ1 LYS 110 HZ1 LYS 110 12.022 -4.841 -17.894 12 HZ2 LYS 110 HZ2 LYS 110 11.228 -5.500 -19.233 13 HZ3 LYS 110 HZ3 LYS 110 11.635 -3.858 -19.214 No H/Q in entry = 13 In of MODEL 20 1 H GLN 111 H GLN 111 7.000 -0.959 -14.689 2 HA GLN 111 HA GLN 111 8.760 0.111 -12.744 3 HB2 GLN 111 HB2 GLN 111 6.344 1.251 -14.122 4 HB3 GLN 111 HB3 GLN 111 7.206 2.150 -12.880 5 HG2 GLN 111 HG2 GLN 111 8.209 1.234 -15.552 6 HG3 GLN 111 HG3 GLN 111 8.103 2.878 -14.917 7 HE21 GLN 111 HE21 GLN 111 9.598 3.543 -13.332 8 HE22 GLN 111 HE22 GLN 111 11.102 2.717 -13.108 No H/Q in entry = 8 In of MODEL 20 1 H TYR 112 H TYR 112 5.437 -0.985 -12.597 2 HA TYR 112 HA TYR 112 4.977 -0.171 -9.879 3 HB2 TYR 112 HB2 TYR 112 3.621 -2.230 -11.643 4 HB3 TYR 112 HB3 TYR 112 3.065 -1.811 -10.028 5 HD1 TYR 112 HD1 TYR 112 2.907 0.907 -9.733 6 HD2 TYR 112 HD2 TYR 112 2.465 -1.242 -13.374 7 HE1 TYR 112 HE1 TYR 112 1.593 2.763 -10.659 8 HE2 TYR 112 HE2 TYR 112 1.147 0.610 -14.312 9 HH TYR 112 HH TYR 112 -0.234 2.483 -13.497 No H/Q in entry = 9 In of MODEL 20 1 H ILE 113 H ILE 113 6.338 -2.970 -11.486 2 HA ILE 113 HA ILE 113 6.525 -4.732 -9.328 3 HB ILE 113 HB ILE 113 8.499 -4.333 -11.572 4 HG12 ILE 113 HG12 ILE 113 6.157 -6.206 -11.233 5 HG13 ILE 113 HG13 ILE 113 6.260 -4.863 -12.365 6 HG21 ILE 113 HG21 ILE 113 9.518 -5.534 -9.716 7 HG22 ILE 113 HG22 ILE 113 8.160 -6.656 -9.676 8 HG23 ILE 113 HG23 ILE 113 9.233 -6.621 -11.074 9 HD11 ILE 113 HD11 ILE 113 8.198 -6.032 -13.418 10 HD12 ILE 113 HD12 ILE 113 7.827 -7.417 -12.391 11 HD13 ILE 113 HD13 ILE 113 6.650 -6.852 -13.572 No H/Q in entry = 11 In of MODEL 20 1 H ALA 114 H ALA 114 8.966 -2.410 -10.503 2 HA ALA 114 HA ALA 114 10.731 -2.734 -8.323 3 HB1 ALA 114 HB1 ALA 114 11.497 -1.825 -10.433 4 HB2 ALA 114 HB2 ALA 114 11.776 -0.646 -9.151 5 HB3 ALA 114 HB3 ALA 114 10.420 -0.437 -10.262 No H/Q in entry = 5 In of MODEL 20 1 H ASP 115 H ASP 115 8.103 -0.457 -8.965 2 HA ASP 115 HA ASP 115 8.672 1.244 -6.771 3 HB2 ASP 115 HB2 ASP 115 7.356 1.867 -8.817 4 HB3 ASP 115 HB3 ASP 115 6.032 0.888 -8.198 No H/Q in entry = 4 In of MODEL 20 1 H PHE 116 H PHE 116 6.074 -1.149 -7.249 2 HA PHE 116 HA PHE 116 5.401 -0.805 -4.421 3 HB2 PHE 116 HB2 PHE 116 3.819 -0.877 -6.740 4 HB3 PHE 116 HB3 PHE 116 3.512 -2.406 -5.927 5 HD1 PHE 116 HD1 PHE 116 2.763 -2.357 -3.525 6 HD2 PHE 116 HD2 PHE 116 2.849 1.084 -6.027 7 HE1 PHE 116 HE1 PHE 116 1.167 -1.244 -2.022 8 HE2 PHE 116 HE2 PHE 116 1.249 2.216 -4.517 9 HZ PHE 116 HZ PHE 116 0.407 1.036 -2.517 No H/Q in entry = 9 In of MODEL 20 1 H GLY 117 H GLY 117 6.666 -3.109 -6.633 2 HA2 GLY 117 HA2 GLY 117 7.403 -5.277 -6.325 3 HA3 GLY 117 HA3 GLY 117 5.762 -5.549 -5.775 No H/Q in entry = 3 In of MODEL 20 1 HA PRO 118 HA PRO 118 9.204 -6.330 -2.494 2 HB2 PRO 118 HB2 PRO 118 10.577 -4.114 -1.595 3 HB3 PRO 118 HB3 PRO 118 11.160 -5.222 -2.842 4 HG2 PRO 118 HG2 PRO 118 9.813 -2.569 -3.140 5 HG3 PRO 118 HG3 PRO 118 11.175 -3.244 -4.053 6 HD2 PRO 118 HD2 PRO 118 8.693 -3.200 -5.067 7 HD3 PRO 118 HD3 PRO 118 9.796 -4.557 -5.378 No H/Q in entry = 7 In of MODEL 20 1 H ALA 119 H ALA 119 7.385 -3.357 -2.352 2 HA ALA 119 HA ALA 119 7.122 -3.408 0.548 3 HB1 ALA 119 HB1 ALA 119 5.725 -1.421 0.202 4 HB2 ALA 119 HB2 ALA 119 5.862 -1.637 -1.543 5 HB3 ALA 119 HB3 ALA 119 7.295 -1.267 -0.583 No H/Q in entry = 5 In of MODEL 20 1 H CYS 120 H CYS 120 5.229 -4.138 -2.308 2 HA CYS 120 HA CYS 120 2.789 -4.835 -1.151 3 HB2 CYS 120 HB2 CYS 120 3.204 -4.711 -3.578 4 HB3 CYS 120 HB3 CYS 120 4.239 -6.128 -3.476 No H/Q in entry = 4 In of MODEL 20 1 H LYS 121 H LYS 121 5.850 -6.495 -1.294 2 HA LYS 121 HA LYS 121 5.211 -9.083 -0.549 3 HB2 LYS 121 HB2 LYS 121 7.476 -7.962 -1.132 4 HB3 LYS 121 HB3 LYS 121 7.583 -7.626 0.589 5 HG2 LYS 121 HG2 LYS 121 8.804 -9.598 0.199 6 HG3 LYS 121 HG3 LYS 121 7.300 -10.088 0.981 7 HD2 LYS 121 HD2 LYS 121 6.379 -10.837 -1.082 8 HD3 LYS 121 HD3 LYS 121 7.693 -10.101 -2.003 9 HE2 LYS 121 HE2 LYS 121 8.023 -12.358 -0.029 10 HE3 LYS 121 HE3 LYS 121 7.910 -12.559 -1.776 11 HZ1 LYS 121 HZ1 LYS 121 10.008 -10.993 -0.371 12 HZ2 LYS 121 HZ2 LYS 121 10.212 -12.550 -0.992 13 HZ3 LYS 121 HZ3 LYS 121 9.909 -11.255 -2.041 No H/Q in entry = 13 In of MODEL 20 1 H LYS 122 H LYS 122 6.145 -6.440 1.714 2 HA LYS 122 HA LYS 122 5.418 -7.926 4.025 3 HB2 LYS 122 HB2 LYS 122 5.665 -5.856 5.269 4 HB3 LYS 122 HB3 LYS 122 6.988 -6.039 4.131 5 HG2 LYS 122 HG2 LYS 122 5.795 -4.480 2.604 6 HG3 LYS 122 HG3 LYS 122 4.617 -4.215 3.886 7 HD2 LYS 122 HD2 LYS 122 7.581 -3.676 4.089 8 HD3 LYS 122 HD3 LYS 122 6.338 -2.457 3.822 9 HE2 LYS 122 HE2 LYS 122 6.643 -2.270 6.090 10 HE3 LYS 122 HE3 LYS 122 5.328 -3.441 6.033 11 HZ1 LYS 122 HZ1 LYS 122 7.032 -5.211 6.230 12 HZ2 LYS 122 HZ2 LYS 122 8.212 -4.018 6.447 13 HZ3 LYS 122 HZ3 LYS 122 6.967 -4.193 7.576 No H/Q in entry = 13 In of MODEL 20 1 H ILE 123 H ILE 123 3.621 -5.884 1.827 2 HA ILE 123 HA ILE 123 1.418 -5.384 3.505 3 HB ILE 123 HB ILE 123 1.621 -5.410 0.521 4 HG12 ILE 123 HG12 ILE 123 1.439 -3.214 2.593 5 HG13 ILE 123 HG13 ILE 123 2.901 -3.700 1.744 6 HG21 ILE 123 HG21 ILE 123 -0.705 -4.571 2.253 7 HG22 ILE 123 HG22 ILE 123 -0.562 -4.267 0.519 8 HG23 ILE 123 HG23 ILE 123 -0.679 -5.920 1.119 9 HD11 ILE 123 HD11 ILE 123 0.449 -2.569 0.449 10 HD12 ILE 123 HD12 ILE 123 1.902 -1.659 0.852 11 HD13 ILE 123 HD13 ILE 123 1.973 -2.956 -0.341 No H/Q in entry = 11 In of MODEL 20 1 H TYR 124 H TYR 124 1.925 -7.781 1.037 2 HA TYR 124 HA TYR 124 -0.325 -9.429 1.676 3 HB2 TYR 124 HB2 TYR 124 2.006 -9.614 -0.177 4 HB3 TYR 124 HB3 TYR 124 1.148 -11.094 0.237 5 HD1 TYR 124 HD1 TYR 124 0.543 -7.641 -1.043 6 HD2 TYR 124 HD2 TYR 124 -0.752 -11.691 -0.955 7 HE1 TYR 124 HE1 TYR 124 -1.154 -7.133 -2.745 8 HE2 TYR 124 HE2 TYR 124 -2.451 -11.193 -2.661 9 HH TYR 124 HH TYR 124 -2.448 -8.338 -4.471 No H/Q in entry = 9 In of MODEL 20 1 H GLY 125 H GLY 125 1.224 -8.892 3.951 2 HA2 GLY 125 HA2 GLY 125 2.505 -9.878 5.664 3 HA3 GLY 125 HA3 GLY 125 3.656 -9.332 4.482 No H/Q in entry = 3 In of MODEL 20 1 H VAL 126 H VAL 126 2.994 -11.568 2.668 2 HA VAL 126 HA VAL 126 3.610 -14.069 3.240 3 HB VAL 126 HB VAL 126 5.597 -12.593 1.530 4 HG11 VAL 126 HG11 VAL 126 5.855 -15.020 1.884 5 HG12 VAL 126 HG12 VAL 126 4.272 -15.266 1.147 6 HG13 VAL 126 HG13 VAL 126 5.591 -14.586 0.196 7 HG21 VAL 126 HG21 VAL 126 2.713 -13.143 0.871 8 HG22 VAL 126 HG22 VAL 126 3.572 -11.602 0.820 9 HG23 VAL 126 HG23 VAL 126 3.946 -12.859 -0.360 No H/Q in entry = 9 In of MODEL 20 1 H HIS 127 H HIS 127 6.173 -11.597 3.248 2 HA HIS 127 HA HIS 127 8.139 -11.409 4.350 3 HB2 HIS 127 HB2 HIS 127 6.623 -11.297 6.286 4 HB3 HIS 127 HB3 HIS 127 6.708 -13.047 6.456 5 HD1 HIS 127 HD1 HIS 127 8.328 -13.813 8.151 6 HD2 HIS 127 HD2 HIS 127 9.385 -10.115 6.569 7 HE1 HIS 127 HE1 HIS 127 10.354 -13.080 9.441 8 HE2 HIS 127 HE2 HIS 127 11.098 -10.955 8.314 No H/Q in entry = 8 In of MODEL 20 1 H THR 128 H THR 128 8.391 -13.081 2.425 2 HA THR 128 HA THR 128 10.099 -15.206 3.506 3 HB THR 128 HB THR 128 8.398 -15.459 1.012 4 HG1 THR 128 HG1 THR 128 7.396 -17.179 2.363 5 HG21 THR 128 HG21 THR 128 10.515 -16.670 0.876 6 HG22 THR 128 HG22 THR 128 10.178 -17.450 2.422 7 HG23 THR 128 HG23 THR 128 9.160 -17.792 1.021 No H/Q in entry = 7 In of MODEL 20 1 H SER 129 H SER 129 11.953 -14.034 3.231 2 HA SER 129 HA SER 129 12.522 -12.932 0.580 3 HB2 SER 129 HB2 SER 129 14.047 -12.519 3.161 4 HB3 SER 129 HB3 SER 129 14.223 -11.603 1.665 5 HG SER 129 HG SER 129 12.683 -10.368 2.343 No H/Q in entry = 5
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