NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
5337 | 1h7j | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 0.668 -23.347 1.764 2 HA MET 1 HA MET 1 2.837 -23.645 2.620 3 1HB MET 1 1HB MET 1 2.468 -26.350 1.262 4 2HB MET 1 2HB MET 1 4.087 -25.746 1.555 5 1HG MET 1 1HG MET 1 2.820 -25.314 4.015 6 2HG MET 1 2HG MET 1 2.109 -26.822 3.478 7 1HE MET 1 1HE MET 1 2.917 -28.514 4.834 8 2HE MET 1 2HE MET 1 3.499 -29.142 3.274 9 3HE MET 1 3HE MET 1 4.543 -29.228 4.713 10 H VAL 2 H VAL 2 1.665 -22.154 0.525 11 HA VAL 2 HA VAL 2 3.945 -21.749 -1.115 12 HB VAL 2 HB VAL 2 2.595 -23.762 -2.097 13 1HG1 VAL 2 1HG1 VAL 2 0.524 -21.982 -2.042 14 2HG1 VAL 2 2HG1 VAL 2 1.101 -21.792 -3.715 15 3HG1 VAL 2 3HG1 VAL 2 0.616 -23.397 -3.119 16 1HG2 VAL 2 1HG2 VAL 2 4.047 -21.527 -3.335 17 2HG2 VAL 2 2HG2 VAL 2 4.237 -23.283 -3.554 18 3HG2 VAL 2 3HG2 VAL 2 2.985 -22.402 -4.463 19 H ALA 3 H ALA 3 2.432 -20.379 -3.234 20 HA ALA 3 HA ALA 3 1.855 -18.242 -3.545 21 1HB ALA 3 1HB ALA 3 -0.314 -19.274 -3.486 22 2HB ALA 3 2HB ALA 3 -0.443 -17.749 -2.577 23 3HB ALA 3 3HB ALA 3 -0.324 -19.297 -1.706 24 H ALA 4 H ALA 4 3.967 -17.858 -2.152 25 HA ALA 4 HA ALA 4 3.361 -16.651 0.412 26 1HB ALA 4 1HB ALA 4 5.384 -17.596 0.751 27 2HB ALA 4 2HB ALA 4 6.047 -16.221 -0.164 28 3HB ALA 4 3HB ALA 4 5.693 -17.755 -0.994 29 H ALA 5 H ALA 5 4.878 -15.698 -2.752 30 HA ALA 5 HA ALA 5 4.738 -12.925 -2.031 31 1HB ALA 5 1HB ALA 5 6.543 -14.042 -3.432 32 2HB ALA 5 2HB ALA 5 5.340 -14.169 -4.738 33 3HB ALA 5 3HB ALA 5 5.834 -12.569 -4.137 34 H MET 6 H MET 6 3.118 -15.119 -4.426 35 HA MET 6 HA MET 6 1.539 -13.396 -5.689 36 1HB MET 6 1HB MET 6 1.415 -16.241 -4.882 37 2HB MET 6 2HB MET 6 -0.189 -15.566 -5.088 38 1HG MET 6 1HG MET 6 0.243 -14.948 -7.377 39 2HG MET 6 2HG MET 6 1.973 -15.156 -7.193 40 1HE MET 6 1HE MET 6 0.439 -16.016 -9.378 41 2HE MET 6 2HE MET 6 0.734 -17.738 -9.717 42 3HE MET 6 3HE MET 6 -0.837 -17.216 -9.064 43 H LEU 7 H LEU 7 1.024 -14.684 -2.365 44 HA LEU 7 HA LEU 7 -1.504 -13.366 -2.104 45 1HB LEU 7 1HB LEU 7 0.031 -15.347 -0.712 46 2HB LEU 7 2HB LEU 7 -0.438 -14.091 0.417 47 HG LEU 7 HG LEU 7 -2.364 -15.579 -1.389 48 1HD1 LEU 7 1HD1 LEU 7 -1.653 -16.026 1.521 49 2HD1 LEU 7 2HD1 LEU 7 -3.083 -16.716 0.716 50 3HD1 LEU 7 3HD1 LEU 7 -1.450 -17.158 0.162 51 1HD2 LEU 7 1HD2 LEU 7 -2.825 -13.159 -0.425 52 2HD2 LEU 7 2HD2 LEU 7 -4.092 -14.408 -0.461 53 3HD2 LEU 7 3HD2 LEU 7 -3.212 -14.077 1.050 54 H LEU 8 H LEU 8 1.915 -12.767 -1.178 55 HA LEU 8 HA LEU 8 1.117 -10.287 0.110 56 1HB LEU 8 1HB LEU 8 3.705 -11.815 -0.090 57 2HB LEU 8 2HB LEU 8 3.630 -10.184 0.548 58 HG LEU 8 HG LEU 8 3.598 -12.166 2.192 59 1HD1 LEU 8 1HD1 LEU 8 2.823 -9.602 2.431 60 2HD1 LEU 8 2HD1 LEU 8 1.290 -10.414 2.829 61 3HD1 LEU 8 3HD1 LEU 8 2.759 -10.778 3.766 62 1HD2 LEU 8 1HD2 LEU 8 1.806 -13.387 0.892 63 2HD2 LEU 8 2HD2 LEU 8 1.547 -13.259 2.648 64 3HD2 LEU 8 3HD2 LEU 8 0.647 -12.199 1.536 65 H ARG 9 H ARG 9 0.347 -10.188 -2.504 66 HA ARG 9 HA ARG 9 2.262 -9.417 -4.302 67 1HB ARG 9 1HB ARG 9 -0.696 -9.105 -4.012 68 2HB ARG 9 2HB ARG 9 0.057 -7.939 -5.082 69 1HG ARG 9 1HG ARG 9 1.015 -9.701 -6.466 70 2HG ARG 9 2HG ARG 9 0.573 -10.937 -5.306 71 1HD ARG 9 1HD ARG 9 -1.590 -11.053 -6.063 72 2HD ARG 9 2HD ARG 9 -1.743 -9.312 -6.190 73 HE ARG 9 HE ARG 9 -1.166 -9.457 -8.451 74 1HH1 ARG 9 1HH1 ARG 9 -0.534 -10.504 -10.381 75 2HH1 ARG 9 2HH1 ARG 9 0.117 -12.108 -10.322 76 1HH2 ARG 9 1HH2 ARG 9 -0.133 -12.399 -6.821 77 2HH2 ARG 9 2HH2 ARG 9 0.347 -13.193 -8.284 78 H SER 10 H SER 10 -0.184 -6.954 -3.416 79 HA SER 10 HA SER 10 1.992 -5.221 -2.558 80 1HB SER 10 1HB SER 10 0.822 -3.331 -3.764 81 2HB SER 10 2HB SER 10 1.522 -4.539 -4.823 82 HG SER 10 HG SER 10 -0.430 -5.089 -5.544 83 H CYS 11 H CYS 11 0.814 -6.372 -0.535 84 HA CYS 11 HA CYS 11 -1.714 -5.285 0.152 85 1HB CYS 11 1HB CYS 11 -0.165 -7.424 1.029 86 2HB CYS 11 2HB CYS 11 -0.124 -6.317 2.387 87 HG CYS 11 HG CYS 11 -2.065 -8.138 2.614 88 HA PRO 12 HA PRO 12 1.089 -2.562 2.859 89 1HB PRO 12 1HB PRO 12 3.804 -2.665 2.569 90 2HB PRO 12 2HB PRO 12 2.936 -3.575 3.789 91 1HG PRO 12 1HG PRO 12 4.145 -4.538 1.269 92 2HG PRO 12 2HG PRO 12 3.661 -5.461 2.678 93 1HD PRO 12 1HD PRO 12 2.253 -5.265 0.186 94 2HD PRO 12 2HD PRO 12 1.713 -6.094 1.633 95 H VAL 13 H VAL 13 -0.018 -1.051 1.572 96 HA VAL 13 HA VAL 13 1.750 0.104 -0.469 97 HB VAL 13 HB VAL 13 -1.260 0.164 -0.177 98 1HG1 VAL 13 1HG1 VAL 13 -0.065 2.236 -1.173 99 2HG1 VAL 13 2HG1 VAL 13 0.278 1.181 -2.565 100 3HG1 VAL 13 3HG1 VAL 13 -1.406 1.505 -2.088 101 1HG2 VAL 13 1HG2 VAL 13 0.643 -1.495 -1.778 102 2HG2 VAL 13 2HG2 VAL 13 -0.912 -1.932 -1.031 103 3HG2 VAL 13 3HG2 VAL 13 -0.884 -1.000 -2.547 104 H LEU 14 H LEU 14 -0.083 0.612 2.520 105 HA LEU 14 HA LEU 14 -0.191 3.377 2.524 106 1HB LEU 14 1HB LEU 14 -1.344 1.802 4.066 107 2HB LEU 14 2HB LEU 14 0.181 1.530 4.885 108 HG LEU 14 HG LEU 14 -1.047 4.281 4.633 109 1HD1 LEU 14 1HD1 LEU 14 -1.608 2.112 6.643 110 2HD1 LEU 14 2HD1 LEU 14 -1.729 3.832 7.085 111 3HD1 LEU 14 3HD1 LEU 14 -2.743 3.176 5.777 112 1HD2 LEU 14 1HD2 LEU 14 1.254 3.090 6.131 113 2HD2 LEU 14 2HD2 LEU 14 1.128 4.638 5.262 114 3HD2 LEU 14 3HD2 LEU 14 0.358 4.447 6.856 115 H SER 15 H SER 15 2.315 1.234 4.063 116 HA SER 15 HA SER 15 3.987 3.058 4.989 117 1HB SER 15 1HB SER 15 5.738 1.439 4.812 118 2HB SER 15 2HB SER 15 4.254 0.518 4.954 119 HG SER 15 HG SER 15 5.958 0.877 2.691 120 H GLN 16 H GLN 16 5.411 4.630 4.226 121 HA GLN 16 HA GLN 16 6.497 5.915 2.848 122 1HB GLN 16 1HB GLN 16 7.471 3.783 1.935 123 2HB GLN 16 2HB GLN 16 6.192 3.734 0.738 124 1HG GLN 16 1HG GLN 16 6.956 6.095 0.016 125 2HG GLN 16 2HG GLN 16 8.365 5.852 1.031 126 1HE2 GLN 16 2HE2 GLN 16 8.008 6.141 -1.900 127 2HE2 GLN 16 1HE2 GLN 16 8.795 4.781 -2.629 128 H GLY 17 H GLY 17 4.221 6.976 3.182 129 1HA GLY 17 1HA GLY 17 2.266 6.936 1.202 130 2HA GLY 17 2HA GLY 17 3.442 8.146 0.731 131 HA PRO 18 HA PRO 18 2.336 10.400 4.471 132 1HB PRO 18 1HB PRO 18 3.452 12.792 3.763 133 2HB PRO 18 2HB PRO 18 4.299 11.581 4.705 134 1HG PRO 18 1HG PRO 18 4.650 12.295 1.858 135 2HG PRO 18 2HG PRO 18 5.741 11.417 2.912 136 1HD PRO 18 1HD PRO 18 4.047 10.302 0.883 137 2HD PRO 18 2HD PRO 18 5.050 9.416 2.015 138 H THR 19 H THR 19 2.226 11.698 1.196 139 HA THR 19 HA THR 19 0.452 12.443 0.045 140 HB THR 19 HB THR 19 -1.346 12.150 2.479 141 HG1 THR 19 HG1 THR 19 -1.310 9.868 1.981 142 1HG2 THR 19 1HG2 THR 19 -1.872 12.746 -0.184 143 2HG2 THR 19 2HG2 THR 19 -2.030 10.973 -0.169 144 3HG2 THR 19 3HG2 THR 19 -3.032 11.965 0.917 145 H GLY 20 H GLY 20 0.196 13.577 3.485 146 1HA GLY 20 1HA GLY 20 1.230 16.037 3.289 147 2HA GLY 20 2HA GLY 20 -0.181 15.676 4.264 148 H LEU 21 H LEU 21 -2.300 15.361 2.681 149 HA LEU 21 HA LEU 21 -2.416 17.900 1.246 150 1HB LEU 21 1HB LEU 21 -2.770 15.191 0.110 151 2HB LEU 21 2HB LEU 21 -3.984 16.373 -0.336 152 HG LEU 21 HG LEU 21 -1.004 16.791 -0.686 153 1HD1 LEU 21 1HD1 LEU 21 -2.886 15.232 -2.258 154 2HD1 LEU 21 2HD1 LEU 21 -2.161 16.551 -3.207 155 3HD1 LEU 21 3HD1 LEU 21 -1.116 15.366 -2.388 156 1HD2 LEU 21 1HD2 LEU 21 -2.828 18.733 -0.530 157 2HD2 LEU 21 2HD2 LEU 21 -1.440 18.805 -1.642 158 3HD2 LEU 21 3HD2 LEU 21 -3.039 18.305 -2.245 159 H LEU 22 H LEU 22 -3.217 17.647 3.843 160 HA LEU 22 HA LEU 22 -6.117 17.239 3.629 161 1HB LEU 22 1HB LEU 22 -4.125 16.516 5.632 162 2HB LEU 22 2HB LEU 22 -5.470 17.405 6.319 163 HG LEU 22 HG LEU 22 -5.952 15.037 4.517 164 1HD1 LEU 22 1HD1 LEU 22 -4.342 14.542 6.484 165 2HD1 LEU 22 2HD1 LEU 22 -5.787 14.736 7.506 166 3HD1 LEU 22 3HD1 LEU 22 -5.756 13.489 6.236 167 1HD2 LEU 22 1HD2 LEU 22 -7.748 16.748 5.298 168 2HD2 LEU 22 2HD2 LEU 22 -8.097 15.005 5.384 169 3HD2 LEU 22 3HD2 LEU 22 -7.634 15.893 6.855 170 H GLY 23 H GLY 23 -3.500 19.511 4.117 171 1HA GLY 23 1HA GLY 23 -3.501 21.658 4.923 172 2HA GLY 23 2HA GLY 23 -5.196 21.522 5.346 173 H LYS 24 H LYS 24 -4.190 20.458 2.132 174 HA LYS 24 HA LYS 24 -5.735 22.640 1.004 175 1HB LYS 24 1HB LYS 24 -3.113 23.105 1.179 176 2HB LYS 24 2HB LYS 24 -3.082 22.125 -0.273 177 1HG LYS 24 1HG LYS 24 -5.263 24.118 -0.313 178 2HG LYS 24 2HG LYS 24 -3.686 24.862 -0.140 179 1HD LYS 24 1HD LYS 24 -3.686 22.700 -2.152 180 2HD LYS 24 2HD LYS 24 -4.836 23.964 -2.538 181 1HE LYS 24 1HE LYS 24 -2.159 24.925 -1.615 182 2HE LYS 24 2HE LYS 24 -2.158 24.083 -3.152 183 H VAL 25 H VAL 25 -7.023 20.466 1.064 184 HA VAL 25 HA VAL 25 -6.218 18.480 -0.800 185 HB VAL 25 HB VAL 25 -9.025 18.919 0.172 186 1HG1 VAL 25 1HG1 VAL 25 -7.851 16.939 -1.343 187 2HG1 VAL 25 2HG1 VAL 25 -7.814 16.243 0.295 188 3HG1 VAL 25 3HG1 VAL 25 -9.359 16.774 -0.412 189 1HG2 VAL 25 1HG2 VAL 25 -6.640 18.561 1.833 190 2HG2 VAL 25 2HG2 VAL 25 -8.303 18.997 2.293 191 3HG2 VAL 25 3HG2 VAL 25 -7.857 17.286 2.083 192 H ALA 26 H ALA 26 -7.278 21.662 -1.186 193 HA ALA 26 HA ALA 26 -9.124 21.419 -3.271 194 1HB ALA 26 1HB ALA 26 -8.702 23.470 -1.936 195 2HB ALA 26 2HB ALA 26 -8.573 23.776 -3.685 196 3HB ALA 26 3HB ALA 26 -7.100 23.622 -2.697 No H/Q in entry = 196 Start of MODEL 2 1 H MET 1 H MET 1 5.937 -27.283 -2.888 2 HA MET 1 HA MET 1 7.074 -25.377 -3.535 3 1HB MET 1 1HB MET 1 4.173 -25.634 -4.093 4 2HB MET 1 2HB MET 1 4.732 -23.987 -4.310 5 1HG MET 1 1HG MET 1 6.438 -26.171 -5.488 6 2HG MET 1 2HG MET 1 4.905 -25.849 -6.274 7 1HE MET 1 1HE MET 1 8.262 -25.421 -6.510 8 2HE MET 1 2HE MET 1 8.676 -23.758 -6.989 9 3HE MET 1 3HE MET 1 8.454 -24.160 -5.269 10 H VAL 2 H VAL 2 6.591 -22.765 -3.792 11 HA VAL 2 HA VAL 2 6.356 -21.856 -1.015 12 HB VAL 2 HB VAL 2 7.714 -19.983 -1.693 13 1HG1 VAL 2 1HG1 VAL 2 8.566 -22.720 -1.754 14 2HG1 VAL 2 2HG1 VAL 2 9.529 -21.795 -2.931 15 3HG1 VAL 2 3HG1 VAL 2 9.468 -21.278 -1.228 16 1HG2 VAL 2 1HG2 VAL 2 7.425 -21.142 -4.472 17 2HG2 VAL 2 2HG2 VAL 2 7.039 -19.500 -3.905 18 3HG2 VAL 2 3HG2 VAL 2 8.736 -20.019 -4.039 19 H ALA 3 H ALA 3 4.337 -21.139 -0.550 20 HA ALA 3 HA ALA 3 2.941 -19.667 -2.676 21 1HB ALA 3 1HB ALA 3 2.064 -21.904 -1.535 22 2HB ALA 3 2HB ALA 3 0.949 -20.569 -1.914 23 3HB ALA 3 3HB ALA 3 1.554 -20.780 -0.253 24 H ALA 4 H ALA 4 4.722 -18.033 -1.707 25 HA ALA 4 HA ALA 4 3.187 -16.317 0.056 26 1HB ALA 4 1HB ALA 4 5.820 -17.612 0.757 27 2HB ALA 4 2HB ALA 4 4.387 -17.339 1.777 28 3HB ALA 4 3HB ALA 4 5.452 -15.976 1.355 29 H ALA 5 H ALA 5 3.159 -15.604 -2.394 30 HA ALA 5 HA ALA 5 4.992 -13.413 -2.558 31 1HB ALA 5 1HB ALA 5 5.663 -15.893 -3.851 32 2HB ALA 5 2HB ALA 5 6.530 -14.340 -3.905 33 3HB ALA 5 3HB ALA 5 5.258 -14.691 -5.099 34 H MET 6 H MET 6 2.564 -15.532 -4.198 35 HA MET 6 HA MET 6 1.554 -13.235 -5.604 36 1HB MET 6 1HB MET 6 1.031 -16.231 -5.584 37 2HB MET 6 2HB MET 6 -0.165 -15.176 -6.310 38 1HG MET 6 1HG MET 6 1.587 -14.217 -7.818 39 2HG MET 6 2HG MET 6 2.793 -15.257 -7.085 40 1HE MET 6 1HE MET 6 1.998 -15.075 -10.214 41 2HE MET 6 2HE MET 6 3.327 -16.076 -9.581 42 3HE MET 6 3HE MET 6 2.107 -16.794 -10.660 43 H LEU 7 H LEU 7 1.355 -12.938 -2.789 44 HA LEU 7 HA LEU 7 -1.494 -12.636 -2.567 45 1HB LEU 7 1HB LEU 7 -1.236 -13.775 -0.187 46 2HB LEU 7 2HB LEU 7 -1.750 -14.648 -1.617 47 HG LEU 7 HG LEU 7 1.174 -14.574 -0.976 48 1HD1 LEU 7 1HD1 LEU 7 -0.047 -15.060 1.170 49 2HD1 LEU 7 2HD1 LEU 7 -0.706 -16.515 0.385 50 3HD1 LEU 7 3HD1 LEU 7 1.051 -16.344 0.609 51 1HD2 LEU 7 1HD2 LEU 7 -0.715 -16.263 -2.528 52 2HD2 LEU 7 2HD2 LEU 7 0.955 -15.765 -2.890 53 3HD2 LEU 7 3HD2 LEU 7 0.651 -17.089 -1.740 54 H LEU 8 H LEU 8 1.736 -12.516 -0.941 55 HA LEU 8 HA LEU 8 1.100 -10.567 0.914 56 1HB LEU 8 1HB LEU 8 3.112 -11.291 1.473 57 2HB LEU 8 2HB LEU 8 3.454 -11.864 -0.148 58 HG LEU 8 HG LEU 8 4.165 -9.588 -0.803 59 1HD1 LEU 8 1HD1 LEU 8 3.105 -8.934 1.874 60 2HD1 LEU 8 2HD1 LEU 8 4.663 -8.177 1.464 61 3HD1 LEU 8 3HD1 LEU 8 3.250 -7.931 0.410 62 1HD2 LEU 8 1HD2 LEU 8 5.539 -10.886 1.555 63 2HD2 LEU 8 2HD2 LEU 8 5.904 -11.062 -0.178 64 3HD2 LEU 8 3HD2 LEU 8 6.240 -9.523 0.650 65 H ARG 9 H ARG 9 2.695 -10.131 -2.328 66 HA ARG 9 HA ARG 9 2.846 -7.475 -2.350 67 1HB ARG 9 1HB ARG 9 2.763 -9.598 -4.327 68 2HB ARG 9 2HB ARG 9 1.867 -8.229 -4.955 69 1HG ARG 9 1HG ARG 9 3.744 -6.773 -4.833 70 2HG ARG 9 2HG ARG 9 4.580 -7.787 -3.674 71 1HD ARG 9 1HD ARG 9 5.644 -8.881 -5.355 72 2HD ARG 9 2HD ARG 9 4.107 -9.378 -6.036 73 HE ARG 9 HE ARG 9 5.760 -7.112 -6.909 74 1HH1 ARG 9 1HH1 ARG 9 5.104 -5.993 -8.790 75 2HH1 ARG 9 2HH1 ARG 9 3.513 -6.233 -9.430 76 1HH2 ARG 9 1HH2 ARG 9 2.544 -8.541 -6.951 77 2HH2 ARG 9 2HH2 ARG 9 2.047 -7.693 -8.377 78 H SER 10 H SER 10 -0.076 -9.457 -2.518 79 HA SER 10 HA SER 10 -1.741 -7.528 -3.662 80 1HB SER 10 1HB SER 10 -2.027 -10.148 -3.172 81 2HB SER 10 2HB SER 10 -2.805 -9.567 -1.713 82 HG SER 10 HG SER 10 -4.401 -9.792 -3.320 83 H CYS 11 H CYS 11 -1.305 -8.635 -0.218 84 HA CYS 11 HA CYS 11 -1.540 -5.971 0.723 85 1HB CYS 11 1HB CYS 11 -3.582 -6.232 2.051 86 2HB CYS 11 2HB CYS 11 -3.923 -6.349 0.336 87 HG CYS 11 HG CYS 11 -3.874 -8.974 0.213 88 HA PRO 12 HA PRO 12 0.618 -8.053 3.884 89 1HB PRO 12 1HB PRO 12 0.515 -6.224 5.912 90 2HB PRO 12 2HB PRO 12 1.642 -6.110 4.576 91 1HG PRO 12 1HG PRO 12 -0.815 -4.542 5.066 92 2HG PRO 12 2HG PRO 12 0.526 -4.175 4.000 93 1HD PRO 12 1HD PRO 12 -2.050 -5.176 3.234 94 2HD PRO 12 2HD PRO 12 -0.671 -4.919 2.184 95 H VAL 13 H VAL 13 -1.554 -6.373 6.042 96 HA VAL 13 HA VAL 13 -2.501 -9.026 6.872 97 HB VAL 13 HB VAL 13 -2.154 -6.436 8.389 98 1HG1 VAL 13 1HG1 VAL 13 -4.091 -8.450 8.840 99 2HG1 VAL 13 2HG1 VAL 13 -2.827 -8.675 10.073 100 3HG1 VAL 13 3HG1 VAL 13 -3.641 -7.101 9.911 101 1HG2 VAL 13 1HG2 VAL 13 -0.135 -7.913 7.914 102 2HG2 VAL 13 2HG2 VAL 13 -0.461 -7.549 9.626 103 3HG2 VAL 13 3HG2 VAL 13 -0.905 -9.136 8.953 104 H LEU 14 H LEU 14 -3.347 -5.764 5.759 105 HA LEU 14 HA LEU 14 -5.828 -6.550 4.819 106 1HB LEU 14 1HB LEU 14 -5.981 -6.441 7.524 107 2HB LEU 14 2HB LEU 14 -6.413 -4.792 7.118 108 HG LEU 14 HG LEU 14 -8.067 -5.968 5.421 109 1HD1 LEU 14 1HD1 LEU 14 -7.531 -8.128 7.471 110 2HD1 LEU 14 2HD1 LEU 14 -8.998 -8.060 6.465 111 3HD1 LEU 14 3HD1 LEU 14 -7.401 -8.235 5.699 112 1HD2 LEU 14 1HD2 LEU 14 -8.278 -4.824 7.984 113 2HD2 LEU 14 2HD2 LEU 14 -9.561 -5.032 6.767 114 3HD2 LEU 14 3HD2 LEU 14 -9.299 -6.282 8.007 115 H SER 15 H SER 15 -5.279 -5.376 3.002 116 HA SER 15 HA SER 15 -4.396 -2.672 3.367 117 1HB SER 15 1HB SER 15 -4.047 -2.680 0.945 118 2HB SER 15 2HB SER 15 -3.368 -4.139 1.638 119 HG SER 15 HG SER 15 -5.973 -3.946 0.381 120 H GLN 16 H GLN 16 -5.926 -1.108 3.746 121 HA GLN 16 HA GLN 16 -8.617 -1.566 2.967 122 1HB GLN 16 1HB GLN 16 -7.574 -0.244 5.038 123 2HB GLN 16 2HB GLN 16 -7.620 1.114 3.932 124 1HG GLN 16 1HG GLN 16 -9.708 1.064 5.207 125 2HG GLN 16 2HG GLN 16 -10.060 0.696 3.530 126 1HE2 GLN 16 2HE2 GLN 16 -12.011 -0.101 4.782 127 2HE2 GLN 16 1HE2 GLN 16 -12.034 -1.771 5.240 128 H GLY 17 H GLY 17 -8.401 -1.745 0.623 129 1HA GLY 17 1HA GLY 17 -7.498 -0.680 -1.391 130 2HA GLY 17 2HA GLY 17 -7.926 0.867 -0.688 131 HA PRO 18 HA PRO 18 -12.236 -0.192 -1.465 132 1HB PRO 18 1HB PRO 18 -13.262 2.321 -1.150 133 2HB PRO 18 2HB PRO 18 -13.177 1.151 0.151 134 1HG PRO 18 1HG PRO 18 -11.490 3.534 -0.310 135 2HG PRO 18 2HG PRO 18 -11.708 2.612 1.164 136 1HD PRO 18 1HD PRO 18 -9.452 2.513 -0.604 137 2HD PRO 18 2HD PRO 18 -9.723 1.509 0.806 138 H THR 19 H THR 19 -10.450 2.590 -2.641 139 HA THR 19 HA THR 19 -10.346 3.516 -4.663 140 HB THR 19 HB THR 19 -10.958 0.620 -5.451 141 HG1 THR 19 HG1 THR 19 -8.979 0.741 -4.358 142 1HG2 THR 19 1HG2 THR 19 -10.376 3.057 -7.066 143 2HG2 THR 19 2HG2 THR 19 -9.263 1.700 -7.362 144 3HG2 THR 19 3HG2 THR 19 -11.014 1.481 -7.592 145 H GLY 20 H GLY 20 -12.766 3.945 -3.284 146 1HA GLY 20 1HA GLY 20 -15.101 3.985 -3.709 147 2HA GLY 20 2HA GLY 20 -14.791 3.764 -5.419 148 H LEU 21 H LEU 21 -13.104 5.599 -6.294 149 HA LEU 21 HA LEU 21 -14.062 8.155 -5.214 150 1HB LEU 21 1HB LEU 21 -11.443 7.181 -6.058 151 2HB LEU 21 2HB LEU 21 -11.884 8.688 -6.835 152 HG LEU 21 HG LEU 21 -12.457 9.499 -4.425 153 1HD1 LEU 21 1HD1 LEU 21 -12.035 7.004 -3.647 154 2HD1 LEU 21 2HD1 LEU 21 -10.353 7.577 -3.532 155 3HD1 LEU 21 3HD1 LEU 21 -11.636 8.391 -2.605 156 1HD2 LEU 21 1HD2 LEU 21 -10.496 10.108 -6.017 157 2HD2 LEU 21 2HD2 LEU 21 -10.392 10.535 -4.292 158 3HD2 LEU 21 3HD2 LEU 21 -9.517 9.114 -4.911 159 H LEU 22 H LEU 22 -12.978 6.606 -8.323 160 HA LEU 22 HA LEU 22 -13.946 8.376 -10.088 161 1HB LEU 22 1HB LEU 22 -13.233 5.607 -10.065 162 2HB LEU 22 2HB LEU 22 -14.662 5.807 -11.061 163 HG LEU 22 HG LEU 22 -12.662 5.939 -12.417 164 1HD1 LEU 22 1HD1 LEU 22 -14.728 7.831 -12.390 165 2HD1 LEU 22 2HD1 LEU 22 -13.235 8.764 -12.653 166 3HD1 LEU 22 3HD1 LEU 22 -13.649 7.420 -13.745 167 1HD2 LEU 22 1HD2 LEU 22 -11.793 7.907 -10.345 168 2HD2 LEU 22 2HD2 LEU 22 -10.877 6.621 -11.166 169 3HD2 LEU 22 3HD2 LEU 22 -11.244 8.138 -12.022 170 H GLY 23 H GLY 23 -15.851 9.378 -10.417 171 1HA GLY 23 1HA GLY 23 -18.307 7.886 -9.715 172 2HA GLY 23 2HA GLY 23 -18.175 9.067 -11.003 173 H LYS 24 H LYS 24 -17.020 9.085 -7.554 174 HA LYS 24 HA LYS 24 -18.583 11.550 -7.213 175 1HB LYS 24 1HB LYS 24 -18.116 9.235 -5.333 176 2HB LYS 24 2HB LYS 24 -18.560 10.821 -4.737 177 1HG LYS 24 1HG LYS 24 -20.192 9.715 -7.009 178 2HG LYS 24 2HG LYS 24 -20.401 8.959 -5.442 179 1HD LYS 24 1HD LYS 24 -20.434 11.974 -5.573 180 2HD LYS 24 2HD LYS 24 -21.838 11.112 -6.169 181 1HE LYS 24 1HE LYS 24 -22.439 10.337 -4.066 182 2HE LYS 24 2HE LYS 24 -20.779 10.189 -3.523 183 H VAL 25 H VAL 25 -16.213 11.957 -8.387 184 HA VAL 25 HA VAL 25 -14.267 12.397 -6.256 185 HB VAL 25 HB VAL 25 -13.876 12.864 -9.203 186 1HG1 VAL 25 1HG1 VAL 25 -12.203 12.858 -6.801 187 2HG1 VAL 25 2HG1 VAL 25 -11.561 11.814 -8.092 188 3HG1 VAL 25 3HG1 VAL 25 -11.886 13.533 -8.417 189 1HG2 VAL 25 1HG2 VAL 25 -14.780 10.601 -8.985 190 2HG2 VAL 25 2HG2 VAL 25 -13.050 10.549 -9.399 191 3HG2 VAL 25 3HG2 VAL 25 -13.576 10.224 -7.730 192 H ALA 26 H ALA 26 -16.879 13.946 -7.729 193 HA ALA 26 HA ALA 26 -15.915 16.499 -8.232 194 1HB ALA 26 1HB ALA 26 -18.063 16.220 -8.995 195 2HB ALA 26 2HB ALA 26 -18.543 15.219 -7.604 196 3HB ALA 26 3HB ALA 26 -18.441 16.988 -7.434 No H/Q in entry = 196 Start of MODEL 3 1 H MET 1 H MET 1 6.210 -21.869 -7.868 2 HA MET 1 HA MET 1 3.612 -22.366 -6.754 3 1HB MET 1 1HB MET 1 4.632 -24.545 -6.106 4 2HB MET 1 2HB MET 1 4.995 -24.194 -7.784 5 1HG MET 1 1HG MET 1 7.238 -24.135 -7.382 6 2HG MET 1 2HG MET 1 7.039 -23.037 -6.031 7 1HE MET 1 1HE MET 1 8.534 -23.637 -4.650 8 2HE MET 1 2HE MET 1 7.521 -24.188 -3.294 9 3HE MET 1 3HE MET 1 8.868 -25.200 -3.868 10 H VAL 2 H VAL 2 4.856 -19.999 -5.714 11 HA VAL 2 HA VAL 2 5.562 -20.888 -3.003 12 HB VAL 2 HB VAL 2 6.570 -18.549 -2.875 13 1HG1 VAL 2 1HG1 VAL 2 7.626 -20.996 -3.592 14 2HG1 VAL 2 2HG1 VAL 2 8.213 -19.923 -4.885 15 3HG1 VAL 2 3HG1 VAL 2 8.563 -19.539 -3.182 16 1HG2 VAL 2 1HG2 VAL 2 5.361 -18.161 -5.297 17 2HG2 VAL 2 2HG2 VAL 2 6.726 -17.201 -4.677 18 3HG2 VAL 2 3HG2 VAL 2 7.024 -18.555 -5.793 19 H ALA 3 H ALA 3 3.832 -20.760 -1.671 20 HA ALA 3 HA ALA 3 1.696 -18.931 -2.310 21 1HB ALA 3 1HB ALA 3 1.992 -21.424 -0.977 22 2HB ALA 3 2HB ALA 3 0.493 -20.507 -1.256 23 3HB ALA 3 3HB ALA 3 1.423 -20.259 0.241 24 H ALA 4 H ALA 4 3.689 -17.237 -2.035 25 HA ALA 4 HA ALA 4 3.171 -16.029 0.559 26 1HB ALA 4 1HB ALA 4 5.311 -17.501 0.586 27 2HB ALA 4 2HB ALA 4 6.013 -16.245 -0.462 28 3HB ALA 4 3HB ALA 4 5.440 -15.825 1.170 29 H ALA 5 H ALA 5 4.842 -15.834 -2.651 30 HA ALA 5 HA ALA 5 4.787 -12.988 -2.654 31 1HB ALA 5 1HB ALA 5 6.224 -14.898 -3.955 32 2HB ALA 5 2HB ALA 5 5.033 -14.487 -5.212 33 3HB ALA 5 3HB ALA 5 6.075 -13.218 -4.524 34 H MET 6 H MET 6 3.000 -15.544 -4.528 35 HA MET 6 HA MET 6 1.387 -14.082 -6.003 36 1HB MET 6 1HB MET 6 1.454 -16.681 -5.392 37 2HB MET 6 2HB MET 6 0.163 -16.277 -4.279 38 1HG MET 6 1HG MET 6 -1.106 -16.780 -6.167 39 2HG MET 6 2HG MET 6 -0.884 -15.061 -6.425 40 1HE MET 6 1HE MET 6 -0.713 -18.365 -7.470 41 2HE MET 6 2HE MET 6 0.046 -18.369 -9.080 42 3HE MET 6 3HE MET 6 1.036 -18.655 -7.628 43 H LEU 7 H LEU 7 1.125 -14.470 -2.451 44 HA LEU 7 HA LEU 7 -1.291 -12.841 -2.452 45 1HB LEU 7 1HB LEU 7 0.119 -14.481 -0.354 46 2HB LEU 7 2HB LEU 7 -1.186 -13.377 0.033 47 HG LEU 7 HG LEU 7 -1.509 -15.595 -1.995 48 1HD1 LEU 7 1HD1 LEU 7 -1.266 -15.811 0.903 49 2HD1 LEU 7 2HD1 LEU 7 -2.822 -16.430 0.299 50 3HD1 LEU 7 3HD1 LEU 7 -1.296 -17.078 -0.347 51 1HD2 LEU 7 1HD2 LEU 7 -3.107 -13.558 -1.787 52 2HD2 LEU 7 2HD2 LEU 7 -3.789 -15.199 -1.887 53 3HD2 LEU 7 3HD2 LEU 7 -3.681 -14.374 -0.313 54 H LEU 8 H LEU 8 1.902 -12.940 -0.708 55 HA LEU 8 HA LEU 8 2.951 -11.274 0.366 56 1HB LEU 8 1HB LEU 8 4.102 -9.941 -1.110 57 2HB LEU 8 2HB LEU 8 3.617 -11.304 -2.099 58 HG LEU 8 HG LEU 8 1.535 -9.531 -2.486 59 1HD1 LEU 8 1HD1 LEU 8 3.277 -7.927 -1.231 60 2HD1 LEU 8 2HD1 LEU 8 3.883 -7.757 -2.896 61 3HD1 LEU 8 3HD1 LEU 8 2.189 -7.362 -2.520 62 1HD2 LEU 8 1HD2 LEU 8 3.828 -10.559 -3.994 63 2HD2 LEU 8 2HD2 LEU 8 2.119 -10.393 -4.462 64 3HD2 LEU 8 3HD2 LEU 8 3.217 -8.999 -4.595 65 H ARG 9 H ARG 9 0.780 -11.055 1.638 66 HA ARG 9 HA ARG 9 -0.236 -8.373 1.147 67 1HB ARG 9 1HB ARG 9 -2.282 -9.082 2.360 68 2HB ARG 9 2HB ARG 9 -1.964 -10.162 1.017 69 1HG ARG 9 1HG ARG 9 -2.011 -11.896 2.475 70 2HG ARG 9 2HG ARG 9 -0.523 -11.289 3.175 71 1HD ARG 9 1HD ARG 9 -2.378 -9.622 4.371 72 2HD ARG 9 2HD ARG 9 -3.317 -11.092 4.202 73 HE ARG 9 HE ARG 9 -0.738 -11.792 5.222 74 1HH1 ARG 9 1HH1 ARG 9 -0.445 -12.257 7.440 75 2HH1 ARG 9 2HH1 ARG 9 -1.599 -11.693 8.603 76 1HH2 ARG 9 1HH2 ARG 9 -3.663 -10.112 6.226 77 2HH2 ARG 9 2HH2 ARG 9 -3.441 -10.464 7.907 78 H SER 10 H SER 10 1.297 -10.618 3.420 79 HA SER 10 HA SER 10 2.253 -8.563 5.000 80 1HB SER 10 1HB SER 10 -0.380 -8.993 5.649 81 2HB SER 10 2HB SER 10 0.397 -10.123 6.740 82 HG SER 10 HG SER 10 1.877 -8.111 7.180 83 H CYS 11 H CYS 11 3.748 -10.389 3.905 84 HA CYS 11 HA CYS 11 5.011 -12.192 4.096 85 1HB CYS 11 1HB CYS 11 5.460 -10.535 6.261 86 2HB CYS 11 2HB CYS 11 5.250 -12.097 7.029 87 HG CYS 11 HG CYS 11 6.772 -13.044 4.693 88 HA PRO 12 HA PRO 12 1.582 -14.826 5.609 89 1HB PRO 12 1HB PRO 12 0.815 -15.910 3.221 90 2HB PRO 12 2HB PRO 12 0.032 -14.514 3.935 91 1HG PRO 12 1HG PRO 12 1.912 -14.620 1.656 92 2HG PRO 12 2HG PRO 12 0.809 -13.336 2.111 93 1HD PRO 12 1HD PRO 12 3.646 -13.388 2.529 94 2HD PRO 12 2HD PRO 12 2.527 -12.160 3.086 95 H VAL 13 H VAL 13 4.011 -15.421 6.281 96 HA VAL 13 HA VAL 13 4.307 -18.129 5.183 97 HB VAL 13 HB VAL 13 6.433 -16.089 5.852 98 1HG1 VAL 13 1HG1 VAL 13 6.555 -19.056 5.712 99 2HG1 VAL 13 2HG1 VAL 13 7.847 -18.169 4.868 100 3HG1 VAL 13 3HG1 VAL 13 7.574 -17.903 6.607 101 1HG2 VAL 13 1HG2 VAL 13 5.559 -17.455 3.295 102 2HG2 VAL 13 2HG2 VAL 13 5.622 -15.713 3.656 103 3HG2 VAL 13 3HG2 VAL 13 7.131 -16.637 3.463 104 H LEU 14 H LEU 14 6.354 -16.697 7.704 105 HA LEU 14 HA LEU 14 6.738 -17.400 9.776 106 1HB LEU 14 1HB LEU 14 4.882 -15.810 10.039 107 2HB LEU 14 2HB LEU 14 3.733 -17.130 9.945 108 HG LEU 14 HG LEU 14 4.938 -18.113 11.994 109 1HD1 LEU 14 1HD1 LEU 14 6.694 -16.006 11.534 110 2HD1 LEU 14 2HD1 LEU 14 5.743 -15.485 12.946 111 3HD1 LEU 14 3HD1 LEU 14 6.614 -17.036 12.983 112 1HD2 LEU 14 1HD2 LEU 14 3.243 -15.615 12.067 113 2HD2 LEU 14 2HD2 LEU 14 2.744 -17.312 12.271 114 3HD2 LEU 14 3HD2 LEU 14 3.700 -16.507 13.539 115 H SER 15 H SER 15 7.087 -19.530 8.228 116 HA SER 15 HA SER 15 6.397 -21.629 9.942 117 1HB SER 15 1HB SER 15 5.121 -22.985 8.186 118 2HB SER 15 2HB SER 15 4.230 -21.677 8.939 119 HG SER 15 HG SER 15 5.420 -20.561 6.828 120 H GLN 16 H GLN 16 7.355 -23.750 9.115 121 HA GLN 16 HA GLN 16 9.423 -23.151 7.145 122 1HB GLN 16 1HB GLN 16 9.603 -24.229 9.870 123 2HB GLN 16 2HB GLN 16 10.358 -25.299 8.706 124 1HG GLN 16 1HG GLN 16 11.282 -22.843 7.835 125 2HG GLN 16 2HG GLN 16 11.162 -22.560 9.561 126 1HE2 GLN 16 2HE2 GLN 16 13.163 -23.523 7.187 127 2HE2 GLN 16 1HE2 GLN 16 14.281 -24.526 8.050 128 H GLY 17 H GLY 17 7.463 -23.912 5.739 129 1HA GLY 17 1HA GLY 17 6.211 -26.194 5.549 130 2HA GLY 17 2HA GLY 17 7.836 -26.781 5.260 131 HA PRO 18 HA PRO 18 7.865 -24.525 1.400 132 1HB PRO 18 1HB PRO 18 9.729 -26.079 0.143 133 2HB PRO 18 2HB PRO 18 10.141 -24.650 1.071 134 1HG PRO 18 1HG PRO 18 10.472 -27.495 1.804 135 2HG PRO 18 2HG PRO 18 11.244 -26.084 2.501 136 1HD PRO 18 1HD PRO 18 9.077 -27.589 3.628 137 2HD PRO 18 2HD PRO 18 9.771 -26.112 4.267 138 H THR 19 H THR 19 8.453 -27.988 1.015 139 HA THR 19 HA THR 19 5.954 -28.842 0.470 140 HB THR 19 HB THR 19 7.018 -27.080 -1.705 141 HG1 THR 19 HG1 THR 19 4.487 -28.235 -0.769 142 1HG2 THR 19 1HG2 THR 19 5.939 -29.868 -2.178 143 2HG2 THR 19 2HG2 THR 19 5.356 -28.548 -3.221 144 3HG2 THR 19 3HG2 THR 19 7.093 -28.931 -3.157 145 H GLY 20 H GLY 20 9.381 -28.802 -0.445 146 1HA GLY 20 1HA GLY 20 10.824 -30.553 -0.477 147 2HA GLY 20 2HA GLY 20 9.802 -31.068 -1.805 148 H LEU 21 H LEU 21 8.813 -30.840 1.652 149 HA LEU 21 HA LEU 21 9.299 -33.419 2.434 150 1HB LEU 21 1HB LEU 21 7.061 -31.539 3.191 151 2HB LEU 21 2HB LEU 21 7.401 -33.042 4.025 152 HG LEU 21 HG LEU 21 8.641 -31.777 5.390 153 1HD1 LEU 21 1HD1 LEU 21 10.508 -31.802 3.004 154 2HD1 LEU 21 2HD1 LEU 21 10.984 -31.369 4.664 155 3HD1 LEU 21 3HD1 LEU 21 10.398 -33.011 4.306 156 1HD2 LEU 21 1HD2 LEU 21 8.449 -29.727 3.213 157 2HD2 LEU 21 2HD2 LEU 21 7.893 -29.660 4.902 158 3HD2 LEU 21 3HD2 LEU 21 9.626 -29.503 4.529 159 H LEU 22 H LEU 22 6.190 -32.127 1.057 160 HA LEU 22 HA LEU 22 4.828 -34.472 0.915 161 1HB LEU 22 1HB LEU 22 4.837 -31.974 -0.727 162 2HB LEU 22 2HB LEU 22 3.863 -33.332 -1.252 163 HG LEU 22 HG LEU 22 3.653 -31.981 1.453 164 1HD1 LEU 22 1HD1 LEU 22 2.149 -31.610 -1.124 165 2HD1 LEU 22 2HD1 LEU 22 1.359 -31.314 0.444 166 3HD1 LEU 22 3HD1 LEU 22 2.812 -30.391 -0.009 167 1HD2 LEU 22 1HD2 LEU 22 2.690 -34.522 0.495 168 2HD2 LEU 22 2HD2 LEU 22 2.550 -33.790 2.111 169 3HD2 LEU 22 3HD2 LEU 22 1.322 -33.447 0.869 170 H GLY 23 H GLY 23 7.652 -33.466 -0.929 171 1HA GLY 23 1HA GLY 23 8.885 -34.513 -2.488 172 2HA GLY 23 2HA GLY 23 7.386 -35.100 -3.182 173 H LYS 24 H LYS 24 8.655 -35.747 0.138 174 HA LYS 24 HA LYS 24 8.272 -38.557 -0.293 175 1HB LYS 24 1HB LYS 24 10.601 -37.890 -1.248 176 2HB LYS 24 2HB LYS 24 11.078 -37.733 0.431 177 1HG LYS 24 1HG LYS 24 9.585 -40.204 0.103 178 2HG LYS 24 2HG LYS 24 10.847 -40.137 -1.112 179 1HD LYS 24 1HD LYS 24 11.752 -39.261 1.576 180 2HD LYS 24 2HD LYS 24 11.201 -40.924 1.536 181 1HE LYS 24 1HE LYS 24 12.784 -40.567 -0.817 182 2HE LYS 24 2HE LYS 24 13.671 -39.793 0.481 183 H VAL 25 H VAL 25 6.667 -37.958 1.359 184 HA VAL 25 HA VAL 25 7.563 -36.937 3.852 185 HB VAL 25 HB VAL 25 5.020 -38.470 3.364 186 1HG1 VAL 25 1HG1 VAL 25 5.982 -36.389 5.297 187 2HG1 VAL 25 2HG1 VAL 25 4.256 -36.433 4.868 188 3HG1 VAL 25 3HG1 VAL 25 5.031 -37.866 5.586 189 1HG2 VAL 25 1HG2 VAL 25 5.923 -36.093 1.956 190 2HG2 VAL 25 2HG2 VAL 25 4.463 -37.080 1.705 191 3HG2 VAL 25 3HG2 VAL 25 4.453 -35.765 2.904 192 H ALA 26 H ALA 26 8.056 -39.897 2.306 193 HA ALA 26 HA ALA 26 7.609 -41.719 4.382 194 1HB ALA 26 1HB ALA 26 8.321 -43.169 2.807 195 2HB ALA 26 2HB ALA 26 8.463 -41.763 1.726 196 3HB ALA 26 3HB ALA 26 9.883 -42.333 2.635 No H/Q in entry = 196 Start of MODEL 4 1 H MET 1 H MET 1 4.832 -27.608 -3.264 2 HA MET 1 HA MET 1 4.791 -25.537 -4.098 3 1HB MET 1 1HB MET 1 2.147 -26.803 -3.843 4 2HB MET 1 2HB MET 1 1.974 -25.061 -3.928 5 1HG MET 1 1HG MET 1 3.944 -26.014 -5.888 6 2HG MET 1 2HG MET 1 2.407 -26.828 -6.100 7 1HE MET 1 1HE MET 1 4.572 -24.198 -6.519 8 2HE MET 1 2HE MET 1 3.796 -23.656 -8.026 9 3HE MET 1 3HE MET 1 3.719 -22.637 -6.569 10 H VAL 2 H VAL 2 4.315 -23.198 -3.888 11 HA VAL 2 HA VAL 2 3.200 -22.327 -1.376 12 HB VAL 2 HB VAL 2 5.984 -21.405 -1.977 13 1HG1 VAL 2 1HG1 VAL 2 4.009 -21.079 0.128 14 2HG1 VAL 2 2HG1 VAL 2 5.552 -21.681 0.779 15 3HG1 VAL 2 3HG1 VAL 2 5.514 -20.177 -0.171 16 1HG2 VAL 2 1HG2 VAL 2 6.093 -23.881 -1.959 17 2HG2 VAL 2 2HG2 VAL 2 6.944 -23.148 -0.579 18 3HG2 VAL 2 3HG2 VAL 2 5.340 -23.885 -0.346 19 H ALA 3 H ALA 3 2.483 -20.161 -1.476 20 HA ALA 3 HA ALA 3 3.129 -18.699 -3.915 21 1HB ALA 3 1HB ALA 3 0.972 -20.180 -4.086 22 2HB ALA 3 2HB ALA 3 0.253 -18.942 -3.028 23 3HB ALA 3 3HB ALA 3 0.907 -18.483 -4.618 24 H ALA 4 H ALA 4 4.349 -18.047 -1.632 25 HA ALA 4 HA ALA 4 2.855 -16.484 0.157 26 1HB ALA 4 1HB ALA 4 5.131 -17.521 0.523 27 2HB ALA 4 2HB ALA 4 5.810 -16.260 -0.533 28 3HB ALA 4 3HB ALA 4 5.017 -15.809 0.995 29 H ALA 5 H ALA 5 5.366 -15.280 -2.176 30 HA ALA 5 HA ALA 5 4.695 -12.668 -2.142 31 1HB ALA 5 1HB ALA 5 6.621 -13.706 -3.331 32 2HB ALA 5 2HB ALA 5 5.505 -14.290 -4.589 33 3HB ALA 5 3HB ALA 5 5.742 -12.542 -4.352 34 H MET 6 H MET 6 3.162 -15.285 -4.107 35 HA MET 6 HA MET 6 1.572 -13.850 -5.703 36 1HB MET 6 1HB MET 6 1.368 -16.484 -4.273 37 2HB MET 6 2HB MET 6 -0.144 -15.880 -4.922 38 1HG MET 6 1HG MET 6 2.230 -15.737 -6.755 39 2HG MET 6 2HG MET 6 1.630 -17.343 -6.393 40 1HE MET 6 1HE MET 6 0.000 -18.422 -7.421 41 2HE MET 6 2HE MET 6 -1.140 -17.829 -8.653 42 3HE MET 6 3HE MET 6 0.606 -17.855 -8.996 43 H LEU 7 H LEU 7 0.921 -14.677 -2.239 44 HA LEU 7 HA LEU 7 -1.314 -12.777 -2.334 45 1HB LEU 7 1HB LEU 7 -0.786 -15.086 -0.458 46 2HB LEU 7 2HB LEU 7 -2.114 -13.952 -0.310 47 HG LEU 7 HG LEU 7 -2.342 -14.892 -2.925 48 1HD1 LEU 7 1HD1 LEU 7 -1.020 -16.911 -1.242 49 2HD1 LEU 7 2HD1 LEU 7 -2.497 -17.479 -2.057 50 3HD1 LEU 7 3HD1 LEU 7 -1.161 -16.794 -3.013 51 1HD2 LEU 7 1HD2 LEU 7 -3.994 -14.479 -0.880 52 2HD2 LEU 7 2HD2 LEU 7 -4.440 -15.489 -2.277 53 3HD2 LEU 7 3HD2 LEU 7 -3.885 -16.252 -0.768 54 H LEU 8 H LEU 8 1.494 -11.978 -2.245 55 HA LEU 8 HA LEU 8 1.352 -10.524 0.267 56 1HB LEU 8 1HB LEU 8 3.499 -12.461 -0.488 57 2HB LEU 8 2HB LEU 8 3.941 -11.003 0.378 58 HG LEU 8 HG LEU 8 1.678 -12.550 1.522 59 1HD1 LEU 8 1HD1 LEU 8 4.177 -13.847 0.854 60 2HD1 LEU 8 2HD1 LEU 8 3.930 -13.803 2.616 61 3HD1 LEU 8 3HD1 LEU 8 2.691 -14.525 1.561 62 1HD2 LEU 8 1HD2 LEU 8 4.070 -11.049 2.591 63 2HD2 LEU 8 2HD2 LEU 8 2.343 -10.645 2.735 64 3HD2 LEU 8 3HD2 LEU 8 3.010 -12.033 3.628 65 H ARG 9 H ARG 9 0.580 -9.474 -2.112 66 HA ARG 9 HA ARG 9 2.889 -8.296 -3.337 67 1HB ARG 9 1HB ARG 9 1.026 -9.005 -4.785 68 2HB ARG 9 2HB ARG 9 -0.109 -8.024 -3.879 69 1HG ARG 9 1HG ARG 9 0.353 -6.647 -5.729 70 2HG ARG 9 2HG ARG 9 1.448 -6.007 -4.520 71 1HD ARG 9 1HD ARG 9 3.139 -7.814 -5.526 72 2HD ARG 9 2HD ARG 9 2.081 -7.740 -6.921 73 HE ARG 9 HE ARG 9 2.513 -5.085 -6.447 74 1HH1 ARG 9 1HH1 ARG 9 4.259 -3.821 -7.206 75 2HH1 ARG 9 2HH1 ARG 9 5.786 -4.567 -7.541 76 1HH2 ARG 9 1HH2 ARG 9 4.735 -7.807 -6.644 77 2HH2 ARG 9 2HH2 ARG 9 6.059 -6.849 -7.219 78 H SER 10 H SER 10 3.695 -6.283 -2.784 79 HA SER 10 HA SER 10 3.960 -4.487 -1.562 80 1HB SER 10 1HB SER 10 1.583 -4.138 -3.239 81 2HB SER 10 2HB SER 10 1.513 -3.096 -1.831 82 HG SER 10 HG SER 10 4.032 -3.160 -3.079 83 H CYS 11 H CYS 11 2.773 -6.827 -0.122 84 HA CYS 11 HA CYS 11 1.743 -7.361 1.753 85 1HB CYS 11 1HB CYS 11 2.909 -4.674 2.528 86 2HB CYS 11 2HB CYS 11 2.144 -5.744 3.686 87 HG CYS 11 HG CYS 11 3.883 -7.351 3.956 88 HA PRO 12 HA PRO 12 -2.075 -5.147 0.897 89 1HB PRO 12 1HB PRO 12 -3.699 -7.341 0.770 90 2HB PRO 12 2HB PRO 12 -2.903 -6.655 -0.633 91 1HG PRO 12 1HG PRO 12 -2.230 -9.116 0.860 92 2HG PRO 12 2HG PRO 12 -1.739 -8.642 -0.754 93 1HD PRO 12 1HD PRO 12 -0.139 -8.543 1.625 94 2HD PRO 12 2HD PRO 12 0.311 -7.963 0.034 95 H VAL 13 H VAL 13 -1.312 -4.487 3.175 96 HA VAL 13 HA VAL 13 -2.278 -5.886 5.357 97 HB VAL 13 HB VAL 13 -0.630 -4.115 5.478 98 1HG1 VAL 13 1HG1 VAL 13 -2.673 -2.593 4.065 99 2HG1 VAL 13 2HG1 VAL 13 -2.070 -1.722 5.495 100 3HG1 VAL 13 3HG1 VAL 13 -0.931 -2.274 4.244 101 1HG2 VAL 13 1HG2 VAL 13 -2.741 -4.526 7.263 102 2HG2 VAL 13 2HG2 VAL 13 -1.186 -3.732 7.609 103 3HG2 VAL 13 3HG2 VAL 13 -2.598 -2.756 7.137 104 H LEU 14 H LEU 14 -3.904 -3.774 3.015 105 HA LEU 14 HA LEU 14 -6.429 -4.704 3.770 106 1HB LEU 14 1HB LEU 14 -6.114 -3.350 5.752 107 2HB LEU 14 2HB LEU 14 -5.728 -1.945 4.779 108 HG LEU 14 HG LEU 14 -8.105 -2.250 3.773 109 1HD1 LEU 14 1HD1 LEU 14 -8.058 -4.395 5.691 110 2HD1 LEU 14 2HD1 LEU 14 -9.327 -3.223 6.120 111 3HD1 LEU 14 3HD1 LEU 14 -9.309 -3.964 4.501 112 1HD2 LEU 14 1HD2 LEU 14 -7.465 -1.203 6.527 113 2HD2 LEU 14 2HD2 LEU 14 -7.680 -0.308 5.004 114 3HD2 LEU 14 3HD2 LEU 14 -9.087 -1.039 5.812 115 H SER 15 H SER 15 -4.929 -1.586 2.639 116 HA SER 15 HA SER 15 -6.759 -1.542 0.458 117 1HB SER 15 1HB SER 15 -5.033 0.324 1.818 118 2HB SER 15 2HB SER 15 -4.622 0.359 0.115 119 HG SER 15 HG SER 15 -6.420 1.824 0.892 120 H GLN 16 H GLN 16 -6.434 -2.777 -1.354 121 HA GLN 16 HA GLN 16 -3.800 -3.752 -1.884 122 1HB GLN 16 1HB GLN 16 -6.175 -4.936 -2.155 123 2HB GLN 16 2HB GLN 16 -6.137 -4.193 -3.742 124 1HG GLN 16 1HG GLN 16 -3.600 -5.236 -3.649 125 2HG GLN 16 2HG GLN 16 -4.438 -6.391 -2.632 126 1HE2 GLN 16 2HE2 GLN 16 -3.384 -6.022 -5.594 127 2HE2 GLN 16 1HE2 GLN 16 -4.590 -6.823 -6.545 128 H GLY 17 H GLY 17 -2.653 -3.453 -3.934 129 1HA GLY 17 1HA GLY 17 -3.369 -1.946 -6.079 130 2HA GLY 17 2HA GLY 17 -1.735 -2.065 -5.457 131 HA PRO 18 HA PRO 18 -2.350 2.256 -4.873 132 1HB PRO 18 1HB PRO 18 -3.431 3.490 -7.059 133 2HB PRO 18 2HB PRO 18 -1.750 3.001 -6.968 134 1HG PRO 18 1HG PRO 18 -3.967 1.743 -8.465 135 2HG PRO 18 2HG PRO 18 -2.241 1.543 -8.686 136 1HD PRO 18 1HD PRO 18 -4.033 -0.299 -7.413 137 2HD PRO 18 2HD PRO 18 -2.291 -0.445 -7.532 138 H THR 19 H THR 19 -5.337 2.014 -6.743 139 HA THR 19 HA THR 19 -7.139 1.831 -4.740 140 HB THR 19 HB THR 19 -6.424 3.698 -3.487 141 HG1 THR 19 HG1 THR 19 -8.661 3.959 -4.268 142 1HG2 THR 19 1HG2 THR 19 -5.697 4.859 -6.199 143 2HG2 THR 19 2HG2 THR 19 -6.016 5.952 -4.831 144 3HG2 THR 19 3HG2 THR 19 -4.701 4.758 -4.727 145 H GLY 20 H GLY 20 -6.217 3.684 -7.669 146 1HA GLY 20 1HA GLY 20 -7.898 2.609 -9.440 147 2HA GLY 20 2HA GLY 20 -7.474 4.309 -9.456 148 H LEU 21 H LEU 21 -8.769 5.381 -7.250 149 HA LEU 21 HA LEU 21 -11.557 4.985 -8.031 150 1HB LEU 21 1HB LEU 21 -10.378 4.249 -5.500 151 2HB LEU 21 2HB LEU 21 -11.572 5.511 -5.271 152 HG LEU 21 HG LEU 21 -12.792 3.674 -7.014 153 1HD1 LEU 21 1HD1 LEU 21 -11.129 2.291 -4.915 154 2HD1 LEU 21 2HD1 LEU 21 -12.647 1.587 -5.521 155 3HD1 LEU 21 3HD1 LEU 21 -11.304 1.910 -6.645 156 1HD2 LEU 21 1HD2 LEU 21 -13.565 5.103 -4.928 157 2HD2 LEU 21 2HD2 LEU 21 -14.454 3.650 -5.445 158 3HD2 LEU 21 3HD2 LEU 21 -13.321 3.560 -4.075 159 H LEU 22 H LEU 22 -9.250 6.941 -6.020 160 HA LEU 22 HA LEU 22 -10.811 9.259 -6.094 161 1HB LEU 22 1HB LEU 22 -7.873 8.776 -5.621 162 2HB LEU 22 2HB LEU 22 -8.611 10.360 -5.494 163 HG LEU 22 HG LEU 22 -8.272 8.692 -3.412 164 1HD1 LEU 22 1HD1 LEU 22 -9.485 11.134 -3.866 165 2HD1 LEU 22 2HD1 LEU 22 -10.767 10.177 -3.084 166 3HD1 LEU 22 3HD1 LEU 22 -9.191 10.380 -2.281 167 1HD2 LEU 22 1HD2 LEU 22 -11.004 8.029 -4.527 168 2HD2 LEU 22 2HD2 LEU 22 -9.677 6.916 -4.116 169 3HD2 LEU 22 3HD2 LEU 22 -10.550 7.774 -2.825 170 H GLY 23 H GLY 23 -8.683 7.726 -8.444 171 1HA GLY 23 1HA GLY 23 -8.140 8.270 -10.554 172 2HA GLY 23 2HA GLY 23 -7.946 9.919 -9.994 173 H LYS 24 H LYS 24 -11.065 8.267 -9.602 174 HA LYS 24 HA LYS 24 -12.384 10.295 -11.067 175 1HB LYS 24 1HB LYS 24 -11.423 8.089 -12.611 176 2HB LYS 24 2HB LYS 24 -13.167 7.954 -12.514 177 1HG LYS 24 1HG LYS 24 -12.914 10.656 -12.964 178 2HG LYS 24 2HG LYS 24 -11.496 10.067 -13.808 179 1HD LYS 24 1HD LYS 24 -13.117 8.314 -14.892 180 2HD LYS 24 2HD LYS 24 -14.407 9.347 -14.310 181 1HE LYS 24 1HE LYS 24 -13.902 11.064 -15.793 182 2HE LYS 24 2HE LYS 24 -12.182 10.729 -15.771 183 H VAL 25 H VAL 25 -13.370 10.409 -8.957 184 HA VAL 25 HA VAL 25 -14.783 8.088 -8.013 185 HB VAL 25 HB VAL 25 -15.020 10.906 -6.982 186 1HG1 VAL 25 1HG1 VAL 25 -16.212 8.556 -6.193 187 2HG1 VAL 25 2HG1 VAL 25 -14.800 8.643 -5.112 188 3HG1 VAL 25 3HG1 VAL 25 -15.968 9.986 -5.160 189 1HG2 VAL 25 1HG2 VAL 25 -12.723 8.969 -6.610 190 2HG2 VAL 25 2HG2 VAL 25 -12.667 10.663 -7.153 191 3HG2 VAL 25 3HG2 VAL 25 -13.071 10.284 -5.461 192 H ALA 26 H ALA 26 -15.292 10.374 -10.445 193 HA ALA 26 HA ALA 26 -17.978 11.048 -10.070 194 1HB ALA 26 1HB ALA 26 -17.047 12.344 -11.705 195 2HB ALA 26 2HB ALA 26 -15.972 11.044 -12.273 196 3HB ALA 26 3HB ALA 26 -17.682 11.066 -12.769 No H/Q in entry = 196 Start of MODEL 5 1 H MET 1 H MET 1 8.924 -18.153 -5.523 2 HA MET 1 HA MET 1 8.840 -20.262 -6.040 3 1HB MET 1 1HB MET 1 11.427 -19.834 -4.964 4 2HB MET 1 2HB MET 1 10.889 -21.299 -4.168 5 1HG MET 1 1HG MET 1 10.664 -20.938 -7.187 6 2HG MET 1 2HG MET 1 12.114 -21.576 -6.438 7 1HE MET 1 1HE MET 1 11.527 -23.225 -4.192 8 2HE MET 1 2HE MET 1 10.941 -24.819 -4.725 9 3HE MET 1 3HE MET 1 12.336 -24.066 -5.536 10 H VAL 2 H VAL 2 6.989 -19.474 -4.086 11 HA VAL 2 HA VAL 2 6.318 -21.988 -2.974 12 HB VAL 2 HB VAL 2 8.142 -20.909 -1.436 13 1HG1 VAL 2 1HG1 VAL 2 6.430 -18.802 -1.388 14 2HG1 VAL 2 2HG1 VAL 2 5.893 -19.686 0.061 15 3HG1 VAL 2 3HG1 VAL 2 7.591 -19.173 -0.090 16 1HG2 VAL 2 1HG2 VAL 2 5.882 -22.636 -0.994 17 2HG2 VAL 2 2HG2 VAL 2 7.494 -22.674 -0.239 18 3HG2 VAL 2 3HG2 VAL 2 6.199 -21.684 0.477 19 H ALA 3 H ALA 3 4.616 -20.847 -0.863 20 HA ALA 3 HA ALA 3 2.713 -19.476 -2.627 21 1HB ALA 3 1HB ALA 3 1.418 -21.201 -1.950 22 2HB ALA 3 2HB ALA 3 2.538 -21.635 -0.636 23 3HB ALA 3 3HB ALA 3 1.328 -20.354 -0.387 24 H ALA 4 H ALA 4 4.717 -17.837 -1.711 25 HA ALA 4 HA ALA 4 3.226 -16.159 0.127 26 1HB ALA 4 1HB ALA 4 6.119 -16.433 0.775 27 2HB ALA 4 2HB ALA 4 4.721 -16.198 1.852 28 3HB ALA 4 3HB ALA 4 5.089 -17.817 1.211 29 H ALA 5 H ALA 5 3.177 -15.529 -2.404 30 HA ALA 5 HA ALA 5 4.917 -13.253 -2.570 31 1HB ALA 5 1HB ALA 5 5.231 -15.659 -4.379 32 2HB ALA 5 2HB ALA 5 6.487 -14.704 -3.555 33 3HB ALA 5 3HB ALA 5 5.626 -14.022 -4.956 34 H MET 6 H MET 6 2.584 -15.460 -4.243 35 HA MET 6 HA MET 6 1.471 -13.189 -5.609 36 1HB MET 6 1HB MET 6 0.943 -16.202 -5.598 37 2HB MET 6 2HB MET 6 -0.115 -15.107 -6.465 38 1HG MET 6 1HG MET 6 2.279 -14.218 -7.419 39 2HG MET 6 2HG MET 6 2.727 -15.875 -7.064 40 1HE MET 6 1HE MET 6 1.879 -17.773 -7.785 41 2HE MET 6 2HE MET 6 0.687 -18.098 -9.066 42 3HE MET 6 3HE MET 6 2.348 -17.623 -9.496 43 H LEU 7 H LEU 7 1.262 -13.000 -2.765 44 HA LEU 7 HA LEU 7 -1.611 -12.844 -2.555 45 1HB LEU 7 1HB LEU 7 0.021 -14.559 -0.678 46 2HB LEU 7 2HB LEU 7 -1.616 -14.020 -0.358 47 HG LEU 7 HG LEU 7 -0.853 -15.694 -2.763 48 1HD1 LEU 7 1HD1 LEU 7 -1.705 -16.525 0.007 49 2HD1 LEU 7 2HD1 LEU 7 -1.991 -17.554 -1.417 50 3HD1 LEU 7 3HD1 LEU 7 -0.330 -17.100 -0.966 51 1HD2 LEU 7 1HD2 LEU 7 -3.107 -14.205 -2.365 52 2HD2 LEU 7 2HD2 LEU 7 -3.006 -15.661 -3.383 53 3HD2 LEU 7 3HD2 LEU 7 -3.599 -15.785 -1.709 54 H LEU 8 H LEU 8 1.617 -12.496 -0.960 55 HA LEU 8 HA LEU 8 0.631 -9.936 0.095 56 1HB LEU 8 1HB LEU 8 2.182 -10.230 1.954 57 2HB LEU 8 2HB LEU 8 0.950 -11.475 1.898 58 HG LEU 8 HG LEU 8 3.523 -12.131 0.564 59 1HD1 LEU 8 1HD1 LEU 8 4.297 -10.918 2.558 60 2HD1 LEU 8 2HD1 LEU 8 3.319 -11.993 3.585 61 3HD1 LEU 8 3HD1 LEU 8 4.674 -12.655 2.640 62 1HD2 LEU 8 1HD2 LEU 8 1.402 -13.546 2.144 63 2HD2 LEU 8 2HD2 LEU 8 2.059 -13.909 0.530 64 3HD2 LEU 8 3HD2 LEU 8 3.020 -14.269 1.984 65 H ARG 9 H ARG 9 1.331 -9.552 -2.358 66 HA ARG 9 HA ARG 9 4.065 -9.516 -2.872 67 1HB ARG 9 1HB ARG 9 1.670 -8.987 -4.289 68 2HB ARG 9 2HB ARG 9 2.542 -7.468 -4.342 69 1HG ARG 9 1HG ARG 9 3.998 -10.056 -4.959 70 2HG ARG 9 2HG ARG 9 2.997 -9.310 -6.189 71 1HD ARG 9 1HD ARG 9 4.745 -7.948 -6.689 72 2HD ARG 9 2HD ARG 9 4.517 -7.167 -5.137 73 HE ARG 9 HE ARG 9 5.989 -9.328 -4.391 74 1HH1 ARG 9 1HH1 ARG 9 8.263 -9.548 -4.434 75 2HH1 ARG 9 2HH1 ARG 9 9.197 -8.658 -5.589 76 1HH2 ARG 9 1HH2 ARG 9 6.416 -7.075 -7.061 77 2HH2 ARG 9 2HH2 ARG 9 8.139 -7.242 -7.093 78 H SER 10 H SER 10 1.980 -7.472 -0.980 79 HA SER 10 HA SER 10 4.184 -5.612 -0.688 80 1HB SER 10 1HB SER 10 1.316 -4.918 -1.380 81 2HB SER 10 2HB SER 10 2.303 -3.782 -0.483 82 HG SER 10 HG SER 10 3.094 -4.949 -3.013 83 H CYS 11 H CYS 11 3.275 -7.900 0.913 84 HA CYS 11 HA CYS 11 2.493 -8.462 2.916 85 1HB CYS 11 1HB CYS 11 3.606 -7.315 4.765 86 2HB CYS 11 2HB CYS 11 4.713 -7.566 3.430 87 HG CYS 11 HG CYS 11 5.458 -5.303 3.772 88 HA PRO 12 HA PRO 12 -0.925 -5.408 2.895 89 1HB PRO 12 1HB PRO 12 -2.926 -7.035 1.991 90 2HB PRO 12 2HB PRO 12 -2.003 -5.978 0.941 91 1HG PRO 12 1HG PRO 12 -1.812 -8.912 1.247 92 2HG PRO 12 2HG PRO 12 -1.226 -7.904 -0.061 93 1HD PRO 12 1HD PRO 12 0.341 -9.078 2.035 94 2HD PRO 12 2HD PRO 12 0.907 -7.977 0.794 95 H VAL 13 H VAL 13 0.008 -6.033 5.175 96 HA VAL 13 HA VAL 13 -2.348 -6.715 6.647 97 HB VAL 13 HB VAL 13 0.004 -8.595 6.510 98 1HG1 VAL 13 1HG1 VAL 13 -1.435 -7.823 8.863 99 2HG1 VAL 13 2HG1 VAL 13 -1.881 -9.495 8.447 100 3HG1 VAL 13 3HG1 VAL 13 -0.171 -9.062 8.681 101 1HG2 VAL 13 1HG2 VAL 13 -2.952 -8.787 5.972 102 2HG2 VAL 13 2HG2 VAL 13 -1.580 -9.316 4.969 103 3HG2 VAL 13 3HG2 VAL 13 -2.024 -10.237 6.425 104 H LEU 14 H LEU 14 1.232 -6.231 6.608 105 HA LEU 14 HA LEU 14 2.473 -4.767 7.728 106 1HB LEU 14 1HB LEU 14 0.382 -3.311 7.556 107 2HB LEU 14 2HB LEU 14 0.037 -3.790 9.206 108 HG LEU 14 HG LEU 14 2.636 -2.946 9.430 109 1HD1 LEU 14 1HD1 LEU 14 2.213 -2.162 6.931 110 2HD1 LEU 14 2HD1 LEU 14 1.470 -0.769 7.754 111 3HD1 LEU 14 3HD1 LEU 14 3.169 -1.191 8.076 112 1HD2 LEU 14 1HD2 LEU 14 -0.021 -1.632 9.896 113 2HD2 LEU 14 2HD2 LEU 14 1.167 -2.254 11.067 114 3HD2 LEU 14 3HD2 LEU 14 1.483 -0.731 10.202 115 H SER 15 H SER 15 -0.151 -6.056 9.888 116 HA SER 15 HA SER 15 1.460 -7.866 11.140 117 1HB SER 15 1HB SER 15 2.341 -5.388 11.921 118 2HB SER 15 2HB SER 15 1.135 -5.688 13.156 119 HG SER 15 HG SER 15 3.023 -7.750 12.512 120 H GLN 16 H GLN 16 -0.879 -5.262 12.165 121 HA GLN 16 HA GLN 16 -2.703 -7.431 12.859 122 1HB GLN 16 1HB GLN 16 -3.544 -5.994 14.726 123 2HB GLN 16 2HB GLN 16 -1.867 -6.457 14.932 124 1HG GLN 16 1HG GLN 16 -1.947 -4.002 13.399 125 2HG GLN 16 2HG GLN 16 -2.973 -3.804 14.806 126 1HE2 GLN 16 2HE2 GLN 16 -0.162 -2.939 13.878 127 2HE2 GLN 16 1HE2 GLN 16 0.848 -3.187 15.264 128 H GLY 17 H GLY 17 -5.072 -6.691 12.870 129 1HA GLY 17 1HA GLY 17 -5.830 -5.702 10.422 130 2HA GLY 17 2HA GLY 17 -5.761 -4.298 11.469 131 HA PRO 18 HA PRO 18 -8.982 -6.502 13.864 132 1HB PRO 18 1HB PRO 18 -9.289 -4.717 15.911 133 2HB PRO 18 2HB PRO 18 -8.277 -6.143 16.026 134 1HG PRO 18 1HG PRO 18 -7.469 -3.319 15.696 135 2HG PRO 18 2HG PRO 18 -6.505 -4.681 16.231 136 1HD PRO 18 1HD PRO 18 -6.444 -3.449 13.642 137 2HD PRO 18 2HD PRO 18 -5.567 -4.881 14.142 138 H THR 19 H THR 19 -8.570 -3.737 12.144 139 HA THR 19 HA THR 19 -9.975 -2.138 11.403 140 HB THR 19 HB THR 19 -11.585 -4.724 11.081 141 HG1 THR 19 HG1 THR 19 -9.854 -3.132 9.328 142 1HG2 THR 19 1HG2 THR 19 -11.892 -1.935 9.917 143 2HG2 THR 19 2HG2 THR 19 -12.259 -3.353 8.907 144 3HG2 THR 19 3HG2 THR 19 -13.161 -3.079 10.417 145 H GLY 20 H GLY 20 -9.979 -2.132 14.211 146 1HA GLY 20 1HA GLY 20 -11.450 -1.959 16.032 147 2HA GLY 20 2HA GLY 20 -12.816 -1.883 14.937 148 H LEU 21 H LEU 21 -12.434 0.087 13.180 149 HA LEU 21 HA LEU 21 -11.364 2.399 14.577 150 1HB LEU 21 1HB LEU 21 -11.875 1.617 11.799 151 2HB LEU 21 2HB LEU 21 -12.355 3.263 12.161 152 HG LEU 21 HG LEU 21 -10.067 3.101 11.263 153 1HD1 LEU 21 1HD1 LEU 21 -10.265 4.096 14.118 154 2HD1 LEU 21 2HD1 LEU 21 -8.953 4.496 12.983 155 3HD1 LEU 21 3HD1 LEU 21 -10.621 5.008 12.632 156 1HD2 LEU 21 1HD2 LEU 21 -9.762 1.167 13.490 157 2HD2 LEU 21 2HD2 LEU 21 -8.987 1.218 11.888 158 3HD2 LEU 21 3HD2 LEU 21 -8.392 2.265 13.198 159 H LEU 22 H LEU 22 -13.431 1.447 16.046 160 HA LEU 22 HA LEU 22 -15.743 3.042 15.208 161 1HB LEU 22 1HB LEU 22 -15.391 0.467 16.556 162 2HB LEU 22 2HB LEU 22 -16.527 1.527 17.368 163 HG LEU 22 HG LEU 22 -16.774 1.073 14.407 164 1HD1 LEU 22 1HD1 LEU 22 -16.714 -1.068 16.163 165 2HD1 LEU 22 2HD1 LEU 22 -18.449 -0.712 15.993 166 3HD1 LEU 22 3HD1 LEU 22 -17.463 -1.041 14.548 167 1HD2 LEU 22 1HD2 LEU 22 -18.627 1.878 16.645 168 2HD2 LEU 22 2HD2 LEU 22 -18.216 2.758 15.154 169 3HD2 LEU 22 3HD2 LEU 22 -19.238 1.303 15.076 170 H GLY 23 H GLY 23 -13.039 2.870 17.380 171 1HA GLY 23 1HA GLY 23 -12.604 3.922 19.364 172 2HA GLY 23 2HA GLY 23 -14.257 4.498 19.444 173 H LYS 24 H LYS 24 -12.437 4.917 16.435 174 HA LYS 24 HA LYS 24 -12.549 7.790 16.863 175 1HB LYS 24 1HB LYS 24 -10.123 6.269 17.104 176 2HB LYS 24 2HB LYS 24 -10.022 7.265 15.666 177 1HG LYS 24 1HG LYS 24 -10.431 9.290 16.904 178 2HG LYS 24 2HG LYS 24 -10.994 8.412 18.312 179 1HD LYS 24 1HD LYS 24 -8.178 7.914 17.328 180 2HD LYS 24 2HD LYS 24 -8.509 9.393 18.208 181 1HE LYS 24 1HE LYS 24 -9.629 6.904 19.433 182 2HE LYS 24 2HE LYS 24 -7.879 7.003 19.409 183 H VAL 25 H VAL 25 -14.420 7.078 15.374 184 HA VAL 25 HA VAL 25 -13.724 6.218 12.758 185 HB VAL 25 HB VAL 25 -16.270 7.626 13.502 186 1HG1 VAL 25 1HG1 VAL 25 -15.537 5.349 11.638 187 2HG1 VAL 25 2HG1 VAL 25 -17.214 5.812 12.017 188 3HG1 VAL 25 3HG1 VAL 25 -16.132 6.970 11.207 189 1HG2 VAL 25 1HG2 VAL 25 -15.230 5.050 14.600 190 2HG2 VAL 25 2HG2 VAL 25 -16.312 6.259 15.334 191 3HG2 VAL 25 3HG2 VAL 25 -16.944 5.116 14.124 192 H ALA 26 H ALA 26 -13.202 9.116 14.409 193 HA ALA 26 HA ALA 26 -13.924 11.038 12.527 194 1HB ALA 26 1HB ALA 26 -12.148 10.803 14.895 195 2HB ALA 26 2HB ALA 26 -11.717 12.092 13.747 196 3HB ALA 26 3HB ALA 26 -13.340 12.057 14.477 No H/Q in entry = 196 Start of MODEL 6 1 H MET 1 H MET 1 2.444 -25.516 1.825 2 HA MET 1 HA MET 1 1.860 -25.674 -0.506 3 1HB MET 1 1HB MET 1 -0.509 -24.255 0.624 4 2HB MET 1 2HB MET 1 0.071 -23.544 -0.870 5 1HG MET 1 1HG MET 1 -1.212 -25.157 -1.876 6 2HG MET 1 2HG MET 1 0.148 -26.211 -1.544 7 1HE MET 1 1HE MET 1 0.529 -27.300 0.679 8 2HE MET 1 2HE MET 1 -0.765 -28.211 1.492 9 3HE MET 1 3HE MET 1 -0.358 -28.565 -0.205 10 H VAL 2 H VAL 2 1.850 -23.451 -2.063 11 HA VAL 2 HA VAL 2 3.755 -21.658 -0.723 12 HB VAL 2 HB VAL 2 4.604 -21.406 -3.166 13 1HG1 VAL 2 1HG1 VAL 2 5.148 -23.795 -1.383 14 2HG1 VAL 2 2HG1 VAL 2 6.121 -23.410 -2.823 15 3HG1 VAL 2 3HG1 VAL 2 6.042 -22.257 -1.470 16 1HG2 VAL 2 1HG2 VAL 2 2.636 -22.887 -3.979 17 2HG2 VAL 2 2HG2 VAL 2 4.253 -23.157 -4.674 18 3HG2 VAL 2 3HG2 VAL 2 3.631 -24.250 -3.414 19 H ALA 3 H ALA 3 2.856 -19.693 -0.408 20 HA ALA 3 HA ALA 3 1.609 -18.355 -2.600 21 1HB ALA 3 1HB ALA 3 -0.307 -19.680 -1.897 22 2HB ALA 3 2HB ALA 3 -0.560 -17.990 -1.398 23 3HB ALA 3 3HB ALA 3 -0.058 -19.206 -0.199 24 H ALA 4 H ALA 4 3.891 -17.558 -1.596 25 HA ALA 4 HA ALA 4 3.340 -15.757 0.638 26 1HB ALA 4 1HB ALA 4 5.335 -17.397 0.530 27 2HB ALA 4 2HB ALA 4 5.685 -15.707 0.967 28 3HB ALA 4 3HB ALA 4 6.016 -16.286 -0.683 29 H ALA 5 H ALA 5 4.803 -15.786 -2.689 30 HA ALA 5 HA ALA 5 4.759 -12.920 -2.788 31 1HB ALA 5 1HB ALA 5 6.233 -14.908 -3.991 32 2HB ALA 5 2HB ALA 5 5.112 -14.449 -5.295 33 3HB ALA 5 3HB ALA 5 6.159 -13.219 -4.548 34 H MET 6 H MET 6 2.934 -15.668 -4.279 35 HA MET 6 HA MET 6 1.380 -14.374 -6.009 36 1HB MET 6 1HB MET 6 1.417 -16.878 -5.111 37 2HB MET 6 2HB MET 6 0.148 -16.341 -4.028 38 1HG MET 6 1HG MET 6 -1.335 -15.803 -5.843 39 2HG MET 6 2HG MET 6 -0.040 -15.836 -7.024 40 1HE MET 6 1HE MET 6 -1.488 -17.093 -8.450 41 2HE MET 6 2HE MET 6 -1.752 -18.852 -8.391 42 3HE MET 6 3HE MET 6 -2.824 -17.760 -7.482 43 H LEU 7 H LEU 7 1.027 -14.384 -2.432 44 HA LEU 7 HA LEU 7 -1.230 -12.537 -2.732 45 1HB LEU 7 1HB LEU 7 -0.364 -14.300 -0.440 46 2HB LEU 7 2HB LEU 7 -1.621 -13.085 -0.314 47 HG LEU 7 HG LEU 7 -1.893 -15.108 -2.491 48 1HD1 LEU 7 1HD1 LEU 7 -1.214 -16.089 -0.052 49 2HD1 LEU 7 2HD1 LEU 7 -2.985 -15.993 0.105 50 3HD1 LEU 7 3HD1 LEU 7 -2.259 -16.928 -1.224 51 1HD2 LEU 7 1HD2 LEU 7 -3.491 -13.100 -1.337 52 2HD2 LEU 7 2HD2 LEU 7 -3.952 -14.288 -2.579 53 3HD2 LEU 7 3HD2 LEU 7 -4.222 -14.651 -0.858 54 H LEU 8 H LEU 8 1.706 -13.106 -0.661 55 HA LEU 8 HA LEU 8 2.903 -11.649 0.532 56 1HB LEU 8 1HB LEU 8 3.275 -11.326 -2.193 57 2HB LEU 8 2HB LEU 8 3.113 -9.681 -1.611 58 HG LEU 8 HG LEU 8 5.097 -11.732 -0.586 59 1HD1 LEU 8 1HD1 LEU 8 5.263 -10.483 -2.961 60 2HD1 LEU 8 2HD1 LEU 8 5.999 -9.240 -1.921 61 3HD1 LEU 8 3HD1 LEU 8 6.679 -10.884 -1.960 62 1HD2 LEU 8 1HD2 LEU 8 4.321 -10.131 1.148 63 2HD2 LEU 8 2HD2 LEU 8 6.051 -9.976 0.756 64 3HD2 LEU 8 3HD2 LEU 8 4.884 -8.793 0.118 65 H ARG 9 H ARG 9 0.796 -11.272 1.801 66 HA ARG 9 HA ARG 9 0.007 -8.495 1.435 67 1HB ARG 9 1HB ARG 9 -2.024 -9.220 2.873 68 2HB ARG 9 2HB ARG 9 -1.959 -9.849 1.239 69 1HG ARG 9 1HG ARG 9 -1.228 -12.011 1.969 70 2HG ARG 9 2HG ARG 9 -0.754 -11.416 3.548 71 1HD ARG 9 1HD ARG 9 -2.923 -11.452 4.375 72 2HD ARG 9 2HD ARG 9 -3.638 -11.024 2.834 73 HE ARG 9 HE ARG 9 -3.780 -13.302 2.275 74 1HH1 ARG 9 1HH1 ARG 9 -3.641 -15.543 2.703 75 2HH1 ARG 9 2HH1 ARG 9 -2.695 -16.112 4.038 76 1HH2 ARG 9 1HH2 ARG 9 -1.676 -12.901 5.067 77 2HH2 ARG 9 2HH2 ARG 9 -1.570 -14.599 5.392 78 H SER 10 H SER 10 1.421 -10.927 3.565 79 HA SER 10 HA SER 10 1.010 -9.655 5.990 80 1HB SER 10 1HB SER 10 2.681 -11.838 4.923 81 2HB SER 10 2HB SER 10 3.465 -10.979 6.234 82 HG SER 10 HG SER 10 0.737 -11.604 6.652 83 H CYS 11 H CYS 11 3.899 -9.655 3.771 84 HA CYS 11 HA CYS 11 5.266 -7.716 5.281 85 1HB CYS 11 1HB CYS 11 5.658 -9.096 2.676 86 2HB CYS 11 2HB CYS 11 6.451 -7.543 2.849 87 HG CYS 11 HG CYS 11 6.474 -9.855 5.207 88 HA PRO 12 HA PRO 12 3.354 -4.138 3.691 89 1HB PRO 12 1HB PRO 12 5.298 -2.258 4.084 90 2HB PRO 12 2HB PRO 12 4.240 -2.824 5.361 91 1HG PRO 12 1HG PRO 12 7.084 -3.476 4.886 92 2HG PRO 12 2HG PRO 12 6.142 -3.675 6.350 93 1HD PRO 12 1HD PRO 12 6.904 -5.735 4.506 94 2HD PRO 12 2HD PRO 12 5.866 -5.913 5.907 95 H VAL 13 H VAL 13 6.706 -3.620 2.717 96 HA VAL 13 HA VAL 13 5.663 -3.335 -0.015 97 HB VAL 13 HB VAL 13 7.988 -2.043 1.414 98 1HG1 VAL 13 1HG1 VAL 13 7.829 -2.731 -1.339 99 2HG1 VAL 13 2HG1 VAL 13 7.579 -0.973 -1.219 100 3HG1 VAL 13 3HG1 VAL 13 9.040 -1.713 -0.523 101 1HG2 VAL 13 1HG2 VAL 13 5.470 -1.239 1.537 102 2HG2 VAL 13 2HG2 VAL 13 6.801 -0.071 1.356 103 3HG2 VAL 13 3HG2 VAL 13 5.845 -0.556 -0.064 104 H LEU 14 H LEU 14 7.990 -4.909 2.159 105 HA LEU 14 HA LEU 14 8.349 -7.054 0.410 106 1HB LEU 14 1HB LEU 14 9.622 -5.392 -0.891 107 2HB LEU 14 2HB LEU 14 10.678 -5.130 0.484 108 HG LEU 14 HG LEU 14 11.074 -7.738 0.288 109 1HD1 LEU 14 1HD1 LEU 14 9.889 -6.987 -2.367 110 2HD1 LEU 14 2HD1 LEU 14 11.161 -8.229 -2.271 111 3HD1 LEU 14 3HD1 LEU 14 9.637 -8.445 -1.377 112 1HD2 LEU 14 1HD2 LEU 14 12.696 -5.800 -0.005 113 2HD2 LEU 14 2HD2 LEU 14 13.083 -7.311 -0.863 114 3HD2 LEU 14 3HD2 LEU 14 12.383 -5.937 -1.752 115 H SER 15 H SER 15 10.523 -5.182 2.646 116 HA SER 15 HA SER 15 9.922 -6.796 4.826 117 1HB SER 15 1HB SER 15 11.400 -8.292 3.160 118 2HB SER 15 2HB SER 15 12.723 -7.404 3.890 119 HG SER 15 HG SER 15 11.150 -9.436 4.958 120 H GLN 16 H GLN 16 12.786 -5.202 3.232 121 HA GLN 16 HA GLN 16 13.906 -4.180 5.484 122 1HB GLN 16 1HB GLN 16 13.983 -3.580 2.581 123 2HB GLN 16 2HB GLN 16 14.427 -2.219 3.592 124 1HG GLN 16 1HG GLN 16 16.318 -3.280 4.452 125 2HG GLN 16 2HG GLN 16 15.623 -4.882 4.310 126 1HE2 GLN 16 2HE2 GLN 16 15.627 -5.966 2.342 127 2HE2 GLN 16 1HE2 GLN 16 16.673 -5.533 1.031 128 H GLY 17 H GLY 17 13.943 -1.923 6.353 129 1HA GLY 17 1HA GLY 17 12.590 -0.487 7.553 130 2HA GLY 17 2HA GLY 17 11.221 -0.892 6.538 131 HA PRO 18 HA PRO 18 12.000 2.675 4.200 132 1HB PRO 18 1HB PRO 18 10.559 4.605 5.492 133 2HB PRO 18 2HB PRO 18 9.833 3.421 4.423 134 1HG PRO 18 1HG PRO 18 9.775 3.533 7.377 135 2HG PRO 18 2HG PRO 18 8.732 2.635 6.292 136 1HD PRO 18 1HD PRO 18 10.891 1.582 7.858 137 2HD PRO 18 2HD PRO 18 9.923 0.709 6.687 138 H THR 19 H THR 19 12.335 3.382 7.638 139 HA THR 19 HA THR 19 13.681 4.895 8.641 140 HB THR 19 HB THR 19 15.932 4.051 8.609 141 HG1 THR 19 HG1 THR 19 15.242 3.029 5.950 142 1HG2 THR 19 1HG2 THR 19 14.156 2.210 9.010 143 2HG2 THR 19 2HG2 THR 19 14.383 1.763 7.302 144 3HG2 THR 19 3HG2 THR 19 15.744 1.641 8.442 145 H GLY 20 H GLY 20 12.657 6.757 7.566 146 1HA GLY 20 1HA GLY 20 12.729 8.314 5.742 147 2HA GLY 20 2HA GLY 20 14.437 7.975 5.546 148 H LEU 21 H LEU 21 15.581 8.151 8.004 149 HA LEU 21 HA LEU 21 14.911 10.892 8.805 150 1HB LEU 21 1HB LEU 21 15.112 8.437 10.448 151 2HB LEU 21 2HB LEU 21 15.896 9.864 11.096 152 HG LEU 21 HG LEU 21 13.507 10.943 10.445 153 1HD1 LEU 21 1HD1 LEU 21 12.923 8.415 9.798 154 2HD1 LEU 21 2HD1 LEU 21 12.522 8.356 11.531 155 3HD1 LEU 21 3HD1 LEU 21 11.723 9.543 10.473 156 1HD2 LEU 21 1HD2 LEU 21 14.710 11.015 12.624 157 2HD2 LEU 21 2HD2 LEU 21 12.945 10.839 12.779 158 3HD2 LEU 21 3HD2 LEU 21 14.005 9.429 13.021 159 H LEU 22 H LEU 22 16.788 9.955 6.774 160 HA LEU 22 HA LEU 22 19.320 10.525 8.147 161 1HB LEU 22 1HB LEU 22 20.328 9.514 6.061 162 2HB LEU 22 2HB LEU 22 19.541 8.428 7.189 163 HG LEU 22 HG LEU 22 18.060 9.493 4.789 164 1HD1 LEU 22 1HD1 LEU 22 20.389 8.283 4.347 165 2HD1 LEU 22 2HD1 LEU 22 19.389 6.832 4.599 166 3HD1 LEU 22 3HD1 LEU 22 18.959 8.000 3.327 167 1HD2 LEU 22 1HD2 LEU 22 17.516 7.624 6.937 168 2HD2 LEU 22 2HD2 LEU 22 16.417 8.326 5.725 169 3HD2 LEU 22 3HD2 LEU 22 17.337 6.850 5.344 170 H GLY 23 H GLY 23 16.894 11.646 5.906 171 1HA GLY 23 1HA GLY 23 16.848 13.371 4.435 172 2HA GLY 23 2HA GLY 23 18.599 13.447 4.457 173 H LYS 24 H LYS 24 16.261 13.668 7.218 174 HA LYS 24 HA LYS 24 16.717 16.497 7.450 175 1HB LYS 24 1HB LYS 24 15.006 16.478 9.043 176 2HB LYS 24 2HB LYS 24 14.521 15.260 7.881 177 1HG LYS 24 1HG LYS 24 15.366 13.460 9.334 178 2HG LYS 24 2HG LYS 24 16.039 14.626 10.455 179 1HD LYS 24 1HD LYS 24 13.648 15.539 10.759 180 2HD LYS 24 2HD LYS 24 13.087 14.148 9.853 181 1HE LYS 24 1HE LYS 24 13.642 12.634 11.548 182 2HE LYS 24 2HE LYS 24 14.956 13.622 12.155 183 H VAL 25 H VAL 25 18.284 13.593 8.447 184 HA VAL 25 HA VAL 25 19.572 15.008 10.669 185 HB VAL 25 HB VAL 25 19.372 12.069 9.985 186 1HG1 VAL 25 1HG1 VAL 25 21.448 13.304 11.352 187 2HG1 VAL 25 2HG1 VAL 25 20.368 12.747 12.652 188 3HG1 VAL 25 3HG1 VAL 25 20.993 11.587 11.455 189 1HG2 VAL 25 1HG2 VAL 25 18.073 13.800 12.104 190 2HG2 VAL 25 2HG2 VAL 25 17.287 12.800 10.858 191 3HG2 VAL 25 3HG2 VAL 25 18.144 12.025 12.213 192 H ALA 26 H ALA 26 21.199 12.239 9.363 193 HA ALA 26 HA ALA 26 23.549 13.552 8.873 194 1HB ALA 26 1HB ALA 26 23.317 11.328 7.075 195 2HB ALA 26 2HB ALA 26 22.442 10.928 8.572 196 3HB ALA 26 3HB ALA 26 24.156 11.403 8.643 No H/Q in entry = 196 Start of MODEL 7 1 H MET 1 H MET 1 -4.831 -20.391 0.745 2 HA MET 1 HA MET 1 -4.429 -19.024 -1.636 3 1HB MET 1 1HB MET 1 -6.007 -18.803 0.811 4 2HB MET 1 2HB MET 1 -5.377 -17.218 0.407 5 1HG MET 1 1HG MET 1 -6.402 -17.255 -1.784 6 2HG MET 1 2HG MET 1 -6.742 -18.971 -1.681 7 1HE MET 1 1HE MET 1 -8.806 -18.005 -2.654 8 2HE MET 1 2HE MET 1 -10.261 -17.797 -1.650 9 3HE MET 1 3HE MET 1 -9.264 -16.385 -2.075 10 H VAL 2 H VAL 2 -2.065 -19.533 0.455 11 HA VAL 2 HA VAL 2 -1.007 -16.803 0.202 12 HB VAL 2 HB VAL 2 0.358 -17.587 2.292 13 1HG1 VAL 2 1HG1 VAL 2 -2.420 -16.459 2.141 14 2HG1 VAL 2 2HG1 VAL 2 -1.701 -16.790 3.735 15 3HG1 VAL 2 3HG1 VAL 2 -0.893 -15.673 2.608 16 1HG2 VAL 2 1HG2 VAL 2 -2.119 -19.335 2.456 17 2HG2 VAL 2 2HG2 VAL 2 -0.420 -19.864 2.425 18 3HG2 VAL 2 3HG2 VAL 2 -1.048 -18.973 3.832 19 H ALA 3 H ALA 3 0.624 -16.754 -1.246 20 HA ALA 3 HA ALA 3 2.243 -19.198 -1.488 21 1HB ALA 3 1HB ALA 3 0.672 -17.862 -3.425 22 2HB ALA 3 2HB ALA 3 2.363 -17.454 -3.804 23 3HB ALA 3 3HB ALA 3 1.860 -19.158 -3.702 24 H ALA 4 H ALA 4 2.314 -16.495 0.162 25 HA ALA 4 HA ALA 4 3.787 -14.877 0.644 26 1HB ALA 4 1HB ALA 4 4.927 -17.515 0.873 27 2HB ALA 4 2HB ALA 4 6.214 -16.359 0.454 28 3HB ALA 4 3HB ALA 4 5.206 -16.085 1.896 29 H ALA 5 H ALA 5 3.103 -15.099 -2.242 30 HA ALA 5 HA ALA 5 5.211 -13.425 -3.203 31 1HB ALA 5 1HB ALA 5 5.063 -16.296 -3.954 32 2HB ALA 5 2HB ALA 5 6.435 -15.164 -4.020 33 3HB ALA 5 3HB ALA 5 5.213 -15.158 -5.314 34 H MET 6 H MET 6 2.347 -15.489 -4.020 35 HA MET 6 HA MET 6 1.525 -13.615 -6.004 36 1HB MET 6 1HB MET 6 0.986 -16.343 -5.279 37 2HB MET 6 2HB MET 6 -0.546 -15.504 -5.141 38 1HG MET 6 1HG MET 6 -0.125 -14.541 -7.481 39 2HG MET 6 2HG MET 6 1.263 -15.603 -7.600 40 1HE MET 6 1HE MET 6 1.010 -18.087 -6.676 41 2HE MET 6 2HE MET 6 -0.168 -19.131 -7.507 42 3HE MET 6 3HE MET 6 0.996 -18.174 -8.454 43 H LEU 7 H LEU 7 0.606 -14.515 -2.644 44 HA LEU 7 HA LEU 7 -1.504 -12.514 -2.688 45 1HB LEU 7 1HB LEU 7 -2.388 -14.279 -1.614 46 2HB LEU 7 2HB LEU 7 -0.834 -14.895 -1.089 47 HG LEU 7 HG LEU 7 -2.294 -14.236 0.783 48 1HD1 LEU 7 1HD1 LEU 7 0.424 -13.665 0.440 49 2HD1 LEU 7 2HD1 LEU 7 -0.261 -12.223 1.227 50 3HD1 LEU 7 3HD1 LEU 7 -0.465 -13.825 1.974 51 1HD2 LEU 7 1HD2 LEU 7 -2.481 -11.742 -0.763 52 2HD2 LEU 7 2HD2 LEU 7 -3.601 -12.453 0.424 53 3HD2 LEU 7 3HD2 LEU 7 -2.197 -11.509 0.979 54 H LEU 8 H LEU 8 1.812 -13.053 -1.610 55 HA LEU 8 HA LEU 8 3.231 -11.818 -0.442 56 1HB LEU 8 1HB LEU 8 2.219 -10.314 -2.492 57 2HB LEU 8 2HB LEU 8 1.981 -9.247 -1.122 58 HG LEU 8 HG LEU 8 4.661 -10.541 -1.519 59 1HD1 LEU 8 1HD1 LEU 8 3.611 -8.166 -3.075 60 2HD1 LEU 8 2HD1 LEU 8 5.336 -8.568 -2.905 61 3HD1 LEU 8 3HD1 LEU 8 4.233 -9.705 -3.717 62 1HD2 LEU 8 1HD2 LEU 8 3.776 -9.000 0.464 63 2HD2 LEU 8 2HD2 LEU 8 5.455 -8.932 -0.122 64 3HD2 LEU 8 3HD2 LEU 8 4.274 -7.714 -0.661 65 H ARG 9 H ARG 9 2.453 -12.663 1.604 66 HA ARG 9 HA ARG 9 0.398 -11.366 2.970 67 1HB ARG 9 1HB ARG 9 1.817 -13.709 3.308 68 2HB ARG 9 2HB ARG 9 2.518 -12.731 4.583 69 1HG ARG 9 1HG ARG 9 0.139 -12.182 5.351 70 2HG ARG 9 2HG ARG 9 -0.444 -13.356 4.187 71 1HD ARG 9 1HD ARG 9 0.807 -15.164 5.299 72 2HD ARG 9 2HD ARG 9 1.581 -14.020 6.379 73 HE ARG 9 HE ARG 9 -1.119 -15.088 6.630 74 1HH1 ARG 9 1HH1 ARG 9 -2.386 -14.431 8.415 75 2HH1 ARG 9 2HH1 ARG 9 -1.932 -13.033 9.331 76 1HH2 ARG 9 1HH2 ARG 9 0.922 -12.325 7.393 77 2HH2 ARG 9 2HH2 ARG 9 -0.038 -11.826 8.745 78 H SER 10 H SER 10 3.897 -10.841 2.647 79 HA SER 10 HA SER 10 3.866 -8.271 3.439 80 1HB SER 10 1HB SER 10 3.500 -9.898 5.738 81 2HB SER 10 2HB SER 10 5.168 -9.366 5.812 82 HG SER 10 HG SER 10 2.907 -7.945 6.356 83 H CYS 11 H CYS 11 5.126 -9.926 1.524 84 HA CYS 11 HA CYS 11 7.071 -10.578 0.695 85 1HB CYS 11 1HB CYS 11 7.116 -7.966 0.833 86 2HB CYS 11 2HB CYS 11 8.359 -8.211 2.045 87 HG CYS 11 HG CYS 11 9.270 -7.701 -0.470 88 HA PRO 12 HA PRO 12 8.594 -12.452 4.540 89 1HB PRO 12 1HB PRO 12 8.243 -15.066 3.827 90 2HB PRO 12 2HB PRO 12 7.051 -14.150 4.726 91 1HG PRO 12 1HG PRO 12 7.016 -14.943 1.879 92 2HG PRO 12 2HG PRO 12 5.684 -14.416 2.887 93 1HD PRO 12 1HD PRO 12 7.049 -12.864 0.899 94 2HD PRO 12 2HD PRO 12 5.796 -12.303 1.988 95 H VAL 13 H VAL 13 10.603 -11.467 3.983 96 HA VAL 13 HA VAL 13 12.231 -13.276 2.345 97 HB VAL 13 HB VAL 13 12.388 -10.329 2.959 98 1HG1 VAL 13 1HG1 VAL 13 14.651 -11.310 3.162 99 2HG1 VAL 13 2HG1 VAL 13 14.484 -11.999 1.529 100 3HG1 VAL 13 3HG1 VAL 13 14.504 -10.233 1.753 101 1HG2 VAL 13 1HG2 VAL 13 11.069 -11.638 0.966 102 2HG2 VAL 13 2HG2 VAL 13 11.706 -9.981 0.833 103 3HG2 VAL 13 3HG2 VAL 13 12.647 -11.350 0.194 104 H LEU 14 H LEU 14 11.666 -11.948 5.544 105 HA LEU 14 HA LEU 14 12.735 -12.142 7.472 106 1HB LEU 14 1HB LEU 14 12.084 -14.466 7.047 107 2HB LEU 14 2HB LEU 14 13.620 -14.763 6.256 108 HG LEU 14 HG LEU 14 14.456 -13.819 8.688 109 1HD1 LEU 14 1HD1 LEU 14 11.709 -14.408 9.051 110 2HD1 LEU 14 2HD1 LEU 14 12.636 -15.691 9.866 111 3HD1 LEU 14 3HD1 LEU 14 12.925 -13.984 10.281 112 1HD2 LEU 14 1HD2 LEU 14 15.019 -15.935 7.278 113 2HD2 LEU 14 2HD2 LEU 14 15.295 -15.944 9.037 114 3HD2 LEU 14 3HD2 LEU 14 13.856 -16.743 8.357 115 H SER 15 H SER 15 14.163 -10.408 7.461 116 HA SER 15 HA SER 15 16.901 -11.194 7.015 117 1HB SER 15 1HB SER 15 17.415 -9.186 5.681 118 2HB SER 15 2HB SER 15 16.220 -10.177 4.867 119 HG SER 15 HG SER 15 14.697 -8.653 5.129 120 H GLN 16 H GLN 16 16.641 -11.138 9.445 121 HA GLN 16 HA GLN 16 15.891 -8.906 10.823 122 1HB GLN 16 1HB GLN 16 16.980 -11.435 11.416 123 2HB GLN 16 2HB GLN 16 18.129 -10.307 12.107 124 1HG GLN 16 1HG GLN 16 15.605 -9.230 12.786 125 2HG GLN 16 2HG GLN 16 15.405 -10.959 12.992 126 1HE2 GLN 16 2HE2 GLN 16 17.765 -8.371 13.630 127 2HE2 GLN 16 1HE2 GLN 16 18.254 -8.901 15.205 128 H GLY 17 H GLY 17 19.322 -9.945 10.158 129 1HA GLY 17 1HA GLY 17 20.719 -7.841 11.060 130 2HA GLY 17 2HA GLY 17 20.064 -7.206 9.564 131 HA PRO 18 HA PRO 18 23.467 -9.187 7.687 132 1HB PRO 18 1HB PRO 18 25.777 -8.031 8.582 133 2HB PRO 18 2HB PRO 18 24.724 -7.278 7.401 134 1HG PRO 18 1HG PRO 18 25.068 -6.621 10.262 135 2HG PRO 18 2HG PRO 18 24.367 -5.643 8.988 136 1HD PRO 18 1HD PRO 18 22.949 -7.084 11.022 137 2HD PRO 18 2HD PRO 18 22.247 -6.202 9.681 138 H THR 19 H THR 19 24.107 -9.031 11.132 139 HA THR 19 HA THR 19 24.612 -10.706 12.533 140 HB THR 19 HB THR 19 24.909 -12.653 10.216 141 HG1 THR 19 HG1 THR 19 22.531 -11.495 11.492 142 1HG2 THR 19 1HG2 THR 19 24.233 -12.730 13.139 143 2HG2 THR 19 2HG2 THR 19 23.259 -13.786 12.087 144 3HG2 THR 19 3HG2 THR 19 25.030 -13.962 12.131 145 H GLY 20 H GLY 20 26.491 -10.955 9.443 146 1HA GLY 20 1HA GLY 20 28.708 -10.620 9.115 147 2HA GLY 20 2HA GLY 20 28.851 -11.911 10.291 148 H LEU 21 H LEU 21 27.979 -8.374 10.400 149 HA LEU 21 HA LEU 21 29.026 -6.695 11.443 150 1HB LEU 21 1HB LEU 21 27.499 -8.142 13.112 151 2HB LEU 21 2HB LEU 21 29.024 -8.250 13.969 152 HG LEU 21 HG LEU 21 29.047 -5.624 13.618 153 1HD1 LEU 21 1HD1 LEU 21 26.724 -6.079 12.328 154 2HD1 LEU 21 2HD1 LEU 21 26.110 -5.800 13.975 155 3HD1 LEU 21 3HD1 LEU 21 27.106 -4.561 13.174 156 1HD2 LEU 21 1HD2 LEU 21 27.634 -7.269 15.697 157 2HD2 LEU 21 2HD2 LEU 21 29.175 -6.384 15.798 158 3HD2 LEU 21 3HD2 LEU 21 27.635 -5.492 15.799 159 H LEU 22 H LEU 22 31.016 -7.358 10.087 160 HA LEU 22 HA LEU 22 33.158 -8.206 11.906 161 1HB LEU 22 1HB LEU 22 32.413 -9.066 9.309 162 2HB LEU 22 2HB LEU 22 33.935 -8.212 9.151 163 HG LEU 22 HG LEU 22 33.940 -10.069 11.411 164 1HD1 LEU 22 1HD1 LEU 22 32.371 -11.117 9.579 165 2HD1 LEU 22 2HD1 LEU 22 33.914 -11.469 8.765 166 3HD1 LEU 22 3HD1 LEU 22 33.606 -12.101 10.400 167 1HD2 LEU 22 1HD2 LEU 22 35.878 -8.861 10.231 168 2HD2 LEU 22 2HD2 LEU 22 36.096 -10.571 10.673 169 3HD2 LEU 22 3HD2 LEU 22 35.730 -10.127 8.988 170 H GLY 23 H GLY 23 31.837 -5.639 9.895 171 1HA GLY 23 1HA GLY 23 32.503 -3.528 9.511 172 2HA GLY 23 2HA GLY 23 34.151 -4.121 9.462 173 H LYS 24 H LYS 24 31.995 -4.499 12.301 174 HA LYS 24 HA LYS 24 33.442 -2.347 13.645 175 1HB LYS 24 1HB LYS 24 30.790 -2.779 13.523 176 2HB LYS 24 2HB LYS 24 31.151 -3.747 14.938 177 1HG LYS 24 1HG LYS 24 30.816 -1.665 15.937 178 2HG LYS 24 2HG LYS 24 32.552 -1.619 15.698 179 1HD LYS 24 1HD LYS 24 32.301 0.256 14.453 180 2HD LYS 24 2HD LYS 24 31.435 -0.683 13.254 181 1HE LYS 24 1HE LYS 24 29.381 0.108 13.921 182 2HE LYS 24 2HE LYS 24 29.788 0.031 15.623 183 H VAL 25 H VAL 25 33.373 -5.772 13.246 184 HA VAL 25 HA VAL 25 34.776 -6.113 15.803 185 HB VAL 25 HB VAL 25 33.317 -8.085 14.036 186 1HG1 VAL 25 1HG1 VAL 25 35.449 -8.555 15.857 187 2HG1 VAL 25 2HG1 VAL 25 33.955 -9.137 16.630 188 3HG1 VAL 25 3HG1 VAL 25 34.424 -9.748 15.025 189 1HG2 VAL 25 1HG2 VAL 25 32.640 -6.654 16.587 190 2HG2 VAL 25 2HG2 VAL 25 31.626 -6.989 15.164 191 3HG2 VAL 25 3HG2 VAL 25 32.007 -8.294 16.312 192 H ALA 26 H ALA 26 35.077 -8.636 13.448 193 HA ALA 26 HA ALA 26 36.707 -9.261 12.070 194 1HB ALA 26 1HB ALA 26 36.784 -6.423 11.881 195 2HB ALA 26 2HB ALA 26 38.470 -6.975 12.028 196 3HB ALA 26 3HB ALA 26 37.434 -7.614 10.729 No H/Q in entry = 196 Start of MODEL 8 1 H MET 1 H MET 1 10.021 -22.296 0.351 2 HA MET 1 HA MET 1 9.099 -21.962 -2.335 3 1HB MET 1 1HB MET 1 10.787 -23.726 -1.478 4 2HB MET 1 2HB MET 1 9.442 -24.531 -0.695 5 1HG MET 1 1HG MET 1 9.849 -25.585 -2.875 6 2HG MET 1 2HG MET 1 8.298 -24.770 -2.916 7 1HE MET 1 1HE MET 1 8.216 -24.951 -5.229 8 2HE MET 1 2HE MET 1 7.800 -23.220 -5.232 9 3HE MET 1 3HE MET 1 8.976 -23.854 -6.407 10 H VAL 2 H VAL 2 6.992 -20.970 -1.948 11 HA VAL 2 HA VAL 2 4.920 -22.867 -1.822 12 HB VAL 2 HB VAL 2 5.728 -22.505 0.638 13 1HG1 VAL 2 1HG1 VAL 2 5.228 -19.874 0.056 14 2HG1 VAL 2 2HG1 VAL 2 3.715 -20.359 0.858 15 3HG1 VAL 2 3HG1 VAL 2 5.273 -20.567 1.695 16 1HG2 VAL 2 1HG2 VAL 2 3.367 -23.351 -0.547 17 2HG2 VAL 2 2HG2 VAL 2 3.813 -23.545 1.166 18 3HG2 VAL 2 3HG2 VAL 2 2.821 -22.157 0.656 19 H ALA 3 H ALA 3 2.889 -20.958 -0.882 20 HA ALA 3 HA ALA 3 2.986 -19.184 -3.203 21 1HB ALA 3 1HB ALA 3 1.074 -20.781 -2.883 22 2HB ALA 3 2HB ALA 3 0.573 -19.074 -2.947 23 3HB ALA 3 3HB ALA 3 0.659 -19.919 -1.382 24 H ALA 4 H ALA 4 4.775 -18.266 -1.429 25 HA ALA 4 HA ALA 4 3.322 -16.255 0.145 26 1HB ALA 4 1HB ALA 4 5.943 -16.212 1.008 27 2HB ALA 4 2HB ALA 4 4.627 -17.130 1.778 28 3HB ALA 4 3HB ALA 4 5.707 -17.931 0.613 29 H ALA 5 H ALA 5 3.149 -15.475 -2.328 30 HA ALA 5 HA ALA 5 4.906 -13.250 -2.488 31 1HB ALA 5 1HB ALA 5 6.221 -15.299 -3.432 32 2HB ALA 5 2HB ALA 5 5.123 -15.154 -4.826 33 3HB ALA 5 3HB ALA 5 6.182 -13.794 -4.382 34 H MET 6 H MET 6 2.593 -15.472 -4.146 35 HA MET 6 HA MET 6 1.507 -13.229 -5.583 36 1HB MET 6 1HB MET 6 0.947 -16.236 -5.502 37 2HB MET 6 2HB MET 6 -0.076 -15.148 -6.418 38 1HG MET 6 1HG MET 6 1.706 -14.522 -7.897 39 2HG MET 6 2HG MET 6 2.940 -15.134 -6.814 40 1HE MET 6 1HE MET 6 3.616 -15.849 -9.226 41 2HE MET 6 2HE MET 6 4.219 -17.188 -8.220 42 3HE MET 6 3HE MET 6 3.364 -17.533 -9.743 43 H LEU 7 H LEU 7 1.287 -13.020 -2.721 44 HA LEU 7 HA LEU 7 -1.593 -12.839 -2.544 45 1HB LEU 7 1HB LEU 7 0.060 -14.594 -0.741 46 2HB LEU 7 2HB LEU 7 -1.470 -13.912 -0.226 47 HG LEU 7 HG LEU 7 -1.100 -15.711 -2.637 48 1HD1 LEU 7 1HD1 LEU 7 -1.912 -16.293 0.206 49 2HD1 LEU 7 2HD1 LEU 7 -2.427 -17.330 -1.146 50 3HD1 LEU 7 3HD1 LEU 7 -0.694 -17.104 -0.806 51 1HD2 LEU 7 1HD2 LEU 7 -3.188 -13.933 -2.009 52 2HD2 LEU 7 2HD2 LEU 7 -3.173 -15.212 -3.247 53 3HD2 LEU 7 3HD2 LEU 7 -3.790 -15.561 -1.615 54 H LEU 8 H LEU 8 1.610 -12.457 -0.899 55 HA LEU 8 HA LEU 8 0.576 -9.956 0.229 56 1HB LEU 8 1HB LEU 8 2.195 -10.153 1.935 57 2HB LEU 8 2HB LEU 8 1.367 -11.692 1.803 58 HG LEU 8 HG LEU 8 3.527 -12.104 0.163 59 1HD1 LEU 8 1HD1 LEU 8 4.182 -9.851 1.873 60 2HD1 LEU 8 2HD1 LEU 8 5.267 -11.233 2.161 61 3HD1 LEU 8 3HD1 LEU 8 5.091 -10.566 0.520 62 1HD2 LEU 8 1HD2 LEU 8 2.672 -12.893 2.849 63 2HD2 LEU 8 2HD2 LEU 8 3.323 -13.871 1.512 64 3HD2 LEU 8 3HD2 LEU 8 4.432 -13.007 2.604 65 H ARG 9 H ARG 9 1.003 -9.742 -2.436 66 HA ARG 9 HA ARG 9 3.687 -9.146 -3.024 67 1HB ARG 9 1HB ARG 9 2.651 -8.124 -5.135 68 2HB ARG 9 2HB ARG 9 2.248 -9.805 -4.850 69 1HG ARG 9 1HG ARG 9 0.027 -9.349 -4.523 70 2HG ARG 9 2HG ARG 9 0.362 -7.940 -3.537 71 1HD ARG 9 1HD ARG 9 0.039 -6.529 -5.295 72 2HD ARG 9 2HD ARG 9 1.144 -7.432 -6.310 73 HE ARG 9 HE ARG 9 -0.673 -8.597 -7.243 74 1HH1 ARG 9 1HH1 ARG 9 -2.893 -8.997 -7.609 75 2HH1 ARG 9 2HH1 ARG 9 -4.076 -8.393 -6.497 76 1HH2 ARG 9 1HH2 ARG 9 -1.723 -6.875 -4.360 77 2HH2 ARG 9 2HH2 ARG 9 -3.406 -7.178 -4.637 78 H SER 10 H SER 10 0.996 -7.425 -1.567 79 HA SER 10 HA SER 10 2.675 -5.069 -1.453 80 1HB SER 10 1HB SER 10 0.691 -5.063 -3.271 81 2HB SER 10 2HB SER 10 -0.276 -4.647 -1.870 82 HG SER 10 HG SER 10 2.120 -3.193 -2.066 83 H CYS 11 H CYS 11 2.699 -6.681 0.647 84 HA CYS 11 HA CYS 11 0.475 -6.457 2.363 85 1HB CYS 11 1HB CYS 11 2.807 -7.975 2.298 86 2HB CYS 11 2HB CYS 11 3.038 -6.944 3.697 87 HG CYS 11 HG CYS 11 1.560 -8.046 5.180 88 HA PRO 12 HA PRO 12 3.155 -3.010 4.244 89 1HB PRO 12 1HB PRO 12 5.438 -2.197 2.982 90 2HB PRO 12 2HB PRO 12 5.429 -3.368 4.285 91 1HG PRO 12 1HG PRO 12 5.791 -3.825 1.387 92 2HG PRO 12 2HG PRO 12 6.193 -4.884 2.724 93 1HD PRO 12 1HD PRO 12 3.939 -5.119 0.966 94 2HD PRO 12 2HD PRO 12 4.279 -6.108 2.372 95 H VAL 13 H VAL 13 1.558 -1.553 3.985 96 HA VAL 13 HA VAL 13 1.581 -0.205 1.383 97 HB VAL 13 HB VAL 13 -0.538 -0.423 3.530 98 1HG1 VAL 13 1HG1 VAL 13 -0.422 1.751 2.128 99 2HG1 VAL 13 2HG1 VAL 13 -0.963 0.731 0.774 100 3HG1 VAL 13 3HG1 VAL 13 -1.976 0.888 2.229 101 1HG2 VAL 13 1HG2 VAL 13 0.189 -2.328 1.703 102 2HG2 VAL 13 2HG2 VAL 13 -1.437 -2.158 2.406 103 3HG2 VAL 13 3HG2 VAL 13 -1.076 -1.446 0.814 104 H LEU 14 H LEU 14 2.016 0.174 4.885 105 HA LEU 14 HA LEU 14 2.641 1.884 6.135 106 1HB LEU 14 1HB LEU 14 4.597 1.735 4.684 107 2HB LEU 14 2HB LEU 14 3.865 2.851 3.548 108 HG LEU 14 HG LEU 14 3.809 4.258 5.946 109 1HD1 LEU 14 1HD1 LEU 14 5.393 2.301 6.691 110 2HD1 LEU 14 2HD1 LEU 14 6.614 3.219 5.777 111 3HD1 LEU 14 3HD1 LEU 14 5.756 3.986 7.135 112 1HD2 LEU 14 1HD2 LEU 14 4.579 4.721 3.411 113 2HD2 LEU 14 2HD2 LEU 14 4.951 5.812 4.767 114 3HD2 LEU 14 3HD2 LEU 14 6.174 4.651 4.198 115 H SER 15 H SER 15 0.550 2.608 6.691 116 HA SER 15 HA SER 15 -0.175 5.042 5.268 117 1HB SER 15 1HB SER 15 -1.724 2.597 5.506 118 2HB SER 15 2HB SER 15 -2.561 3.891 6.341 119 HG SER 15 HG SER 15 -2.577 3.448 3.737 120 H GLN 16 H GLN 16 -0.355 6.788 6.641 121 HA GLN 16 HA GLN 16 0.395 6.731 9.203 122 1HB GLN 16 1HB GLN 16 -0.981 8.608 7.444 123 2HB GLN 16 2HB GLN 16 -1.564 8.784 9.086 124 1HG GLN 16 1HG GLN 16 1.366 8.846 8.223 125 2HG GLN 16 2HG GLN 16 0.405 10.241 8.676 126 1HE2 GLN 16 2HE2 GLN 16 -0.617 10.175 10.846 127 2HE2 GLN 16 1HE2 GLN 16 0.286 9.517 12.169 128 H GLY 17 H GLY 17 -3.089 6.902 8.147 129 1HA GLY 17 1HA GLY 17 -4.712 6.829 10.027 130 2HA GLY 17 2HA GLY 17 -3.783 5.479 10.648 131 HA PRO 18 HA PRO 18 -5.378 2.973 7.303 132 1HB PRO 18 1HB PRO 18 -5.045 0.555 8.534 133 2HB PRO 18 2HB PRO 18 -3.828 1.283 7.505 134 1HG PRO 18 1HG PRO 18 -3.879 1.074 10.453 135 2HG PRO 18 2HG PRO 18 -2.517 1.399 9.399 136 1HD PRO 18 1HD PRO 18 -3.944 3.307 10.997 137 2HD PRO 18 2HD PRO 18 -2.659 3.648 9.856 138 H THR 19 H THR 19 -6.043 2.180 10.685 139 HA THR 19 HA THR 19 -8.009 2.139 11.761 140 HB THR 19 HB THR 19 -9.511 2.785 9.198 141 HG1 THR 19 HG1 THR 19 -8.650 4.887 9.381 142 1HG2 THR 19 1HG2 THR 19 -10.272 2.643 11.889 143 2HG2 THR 19 2HG2 THR 19 -9.914 4.373 11.668 144 3HG2 THR 19 3HG2 THR 19 -11.123 3.575 10.633 145 H GLY 20 H GLY 20 -8.335 0.811 8.403 146 1HA GLY 20 1HA GLY 20 -8.246 -1.825 8.953 147 2HA GLY 20 2HA GLY 20 -9.264 -1.132 7.707 148 H LEU 21 H LEU 21 -11.041 0.387 9.486 149 HA LEU 21 HA LEU 21 -12.495 -1.891 10.628 150 1HB LEU 21 1HB LEU 21 -12.030 0.825 11.856 151 2HB LEU 21 2HB LEU 21 -13.296 -0.265 12.386 152 HG LEU 21 HG LEU 21 -10.525 -1.363 12.285 153 1HD1 LEU 21 1HD1 LEU 21 -11.362 0.904 14.041 154 2HD1 LEU 21 2HD1 LEU 21 -10.358 -0.389 14.740 155 3HD1 LEU 21 3HD1 LEU 21 -9.776 0.525 13.328 156 1HD2 LEU 21 1HD2 LEU 21 -12.852 -1.645 14.206 157 2HD2 LEU 21 2HD2 LEU 21 -12.335 -2.809 12.962 158 3HD2 LEU 21 3HD2 LEU 21 -11.287 -2.479 14.362 159 H LEU 22 H LEU 22 -13.330 -1.763 8.304 160 HA LEU 22 HA LEU 22 -15.477 0.241 8.231 161 1HB LEU 22 1HB LEU 22 -13.467 -0.532 6.204 162 2HB LEU 22 2HB LEU 22 -15.111 -0.364 5.621 163 HG LEU 22 HG LEU 22 -13.547 1.771 7.099 164 1HD1 LEU 22 1HD1 LEU 22 -12.670 1.304 4.843 165 2HD1 LEU 22 2HD1 LEU 22 -14.287 1.610 4.165 166 3HD1 LEU 22 3HD1 LEU 22 -13.397 2.924 4.971 167 1HD2 LEU 22 1HD2 LEU 22 -16.365 1.666 6.052 168 2HD2 LEU 22 2HD2 LEU 22 -15.760 2.233 7.627 169 3HD2 LEU 22 3HD2 LEU 22 -15.487 3.210 6.165 170 H GLY 23 H GLY 23 -15.053 -2.311 5.818 171 1HA GLY 23 1HA GLY 23 -16.205 -4.198 5.395 172 2HA GLY 23 2HA GLY 23 -17.598 -3.306 5.973 173 H LYS 24 H LYS 24 -14.915 -3.794 8.211 174 HA LYS 24 HA LYS 24 -16.083 -6.200 9.307 175 1HB LYS 24 1HB LYS 24 -13.557 -5.613 9.030 176 2HB LYS 24 2HB LYS 24 -13.773 -4.674 10.494 177 1HG LYS 24 1HG LYS 24 -14.890 -6.843 11.469 178 2HG LYS 24 2HG LYS 24 -14.145 -7.667 10.113 179 1HD LYS 24 1HD LYS 24 -11.932 -7.135 10.842 180 2HD LYS 24 2HD LYS 24 -12.488 -5.850 11.897 181 1HE LYS 24 1HE LYS 24 -13.720 -8.420 12.619 182 2HE LYS 24 2HE LYS 24 -11.972 -8.533 12.630 183 H VAL 25 H VAL 25 -15.958 -2.696 9.902 184 HA VAL 25 HA VAL 25 -17.461 -3.131 12.382 185 HB VAL 25 HB VAL 25 -15.910 -0.752 11.344 186 1HG1 VAL 25 1HG1 VAL 25 -18.109 -0.700 13.060 187 2HG1 VAL 25 2HG1 VAL 25 -16.702 -0.650 14.148 188 3HG1 VAL 25 3HG1 VAL 25 -16.878 0.571 12.866 189 1HG2 VAL 25 1HG2 VAL 25 -15.292 -3.001 13.183 190 2HG2 VAL 25 2HG2 VAL 25 -14.216 -2.026 12.153 191 3HG2 VAL 25 3HG2 VAL 25 -14.774 -1.384 13.717 192 H ALA 26 H ALA 26 -17.642 0.006 10.917 193 HA ALA 26 HA ALA 26 -19.270 1.125 9.918 194 1HB ALA 26 1HB ALA 26 -19.326 -1.507 8.657 195 2HB ALA 26 2HB ALA 26 -20.942 -0.761 8.679 196 3HB ALA 26 3HB ALA 26 -19.574 0.102 7.936 No H/Q in entry = 196 Start of MODEL 9 1 H MET 1 H MET 1 10.996 -18.758 -3.455 2 HA MET 1 HA MET 1 10.075 -18.346 -0.744 3 1HB MET 1 1HB MET 1 8.529 -16.704 -1.822 4 2HB MET 1 2HB MET 1 10.180 -16.408 -2.328 5 1HG MET 1 1HG MET 1 8.908 -18.348 -4.115 6 2HG MET 1 2HG MET 1 7.934 -16.895 -4.005 7 1HE MET 1 1HE MET 1 9.817 -18.440 -6.183 8 2HE MET 1 2HE MET 1 8.959 -17.066 -6.922 9 3HE MET 1 3HE MET 1 10.726 -17.204 -7.086 10 H VAL 2 H VAL 2 7.783 -18.750 -0.166 11 HA VAL 2 HA VAL 2 6.838 -21.159 -1.511 12 HB VAL 2 HB VAL 2 5.572 -21.552 0.479 13 1HG1 VAL 2 1HG1 VAL 2 7.992 -22.119 0.501 14 2HG1 VAL 2 2HG1 VAL 2 8.326 -20.555 1.282 15 3HG1 VAL 2 3HG1 VAL 2 7.343 -21.778 2.123 16 1HG2 VAL 2 1HG2 VAL 2 5.514 -18.776 0.743 17 2HG2 VAL 2 2HG2 VAL 2 4.852 -19.969 1.886 18 3HG2 VAL 2 3HG2 VAL 2 6.496 -19.328 2.121 19 H ALA 3 H ALA 3 4.078 -20.803 -0.524 20 HA ALA 3 HA ALA 3 3.132 -19.248 -2.740 21 1HB ALA 3 1HB ALA 3 2.238 -21.495 -1.700 22 2HB ALA 3 2HB ALA 3 1.086 -20.288 -2.321 23 3HB ALA 3 3HB ALA 3 1.389 -20.412 -0.571 24 H ALA 4 H ALA 4 4.494 -17.380 -1.487 25 HA ALA 4 HA ALA 4 2.530 -15.980 0.195 26 1HB ALA 4 1HB ALA 4 5.532 -16.205 0.274 27 2HB ALA 4 2HB ALA 4 4.353 -16.286 1.605 28 3HB ALA 4 3HB ALA 4 4.754 -14.718 0.866 29 H ALA 5 H ALA 5 5.217 -15.525 -2.210 30 HA ALA 5 HA ALA 5 4.911 -12.934 -2.833 31 1HB ALA 5 1HB ALA 5 5.977 -15.304 -4.055 32 2HB ALA 5 2HB ALA 5 5.144 -14.352 -5.307 33 3HB ALA 5 3HB ALA 5 6.436 -13.608 -4.335 34 H MET 6 H MET 6 3.005 -15.646 -4.332 35 HA MET 6 HA MET 6 1.447 -14.255 -5.981 36 1HB MET 6 1HB MET 6 1.405 -16.757 -5.513 37 2HB MET 6 2HB MET 6 0.493 -16.443 -4.050 38 1HG MET 6 1HG MET 6 -1.448 -15.796 -5.228 39 2HG MET 6 2HG MET 6 -0.554 -15.337 -6.664 40 1HE MET 6 1HE MET 6 -2.627 -16.433 -7.595 41 2HE MET 6 2HE MET 6 -1.422 -17.001 -8.776 42 3HE MET 6 3HE MET 6 -2.635 -18.131 -8.127 43 H LEU 7 H LEU 7 1.047 -14.522 -2.409 44 HA LEU 7 HA LEU 7 -0.817 -12.270 -2.585 45 1HB LEU 7 1HB LEU 7 -1.174 -14.720 -0.852 46 2HB LEU 7 2HB LEU 7 -2.165 -13.275 -0.798 47 HG LEU 7 HG LEU 7 -2.254 -14.063 -3.481 48 1HD1 LEU 7 1HD1 LEU 7 -2.236 -16.460 -1.649 49 2HD1 LEU 7 2HD1 LEU 7 -3.119 -16.455 -3.194 50 3HD1 LEU 7 3HD1 LEU 7 -1.357 -16.207 -3.176 51 1HD2 LEU 7 1HD2 LEU 7 -4.005 -13.258 -1.607 52 2HD2 LEU 7 2HD2 LEU 7 -4.490 -13.981 -3.159 53 3HD2 LEU 7 3HD2 LEU 7 -4.434 -14.984 -1.690 54 H LEU 8 H LEU 8 1.529 -11.372 -2.271 55 HA LEU 8 HA LEU 8 2.436 -11.643 0.467 56 1HB LEU 8 1HB LEU 8 4.407 -10.663 -0.221 57 2HB LEU 8 2HB LEU 8 3.921 -11.638 -1.594 58 HG LEU 8 HG LEU 8 2.839 -9.005 -1.936 59 1HD1 LEU 8 1HD1 LEU 8 4.549 -8.214 -0.399 60 2HD1 LEU 8 2HD1 LEU 8 5.810 -9.048 -1.338 61 3HD1 LEU 8 3HD1 LEU 8 4.912 -7.691 -2.061 62 1HD2 LEU 8 1HD2 LEU 8 4.670 -10.872 -3.368 63 2HD2 LEU 8 2HD2 LEU 8 3.151 -10.112 -3.901 64 3HD2 LEU 8 3HD2 LEU 8 4.657 -9.165 -3.870 65 H ARG 9 H ARG 9 -0.134 -10.661 0.476 66 HA ARG 9 HA ARG 9 0.287 -7.807 0.850 67 1HB ARG 9 1HB ARG 9 -2.250 -7.666 0.709 68 2HB ARG 9 2HB ARG 9 -1.483 -8.220 -0.767 69 1HG ARG 9 1HG ARG 9 -2.092 -10.511 -0.357 70 2HG ARG 9 2HG ARG 9 -2.481 -10.195 1.322 71 1HD ARG 9 1HD ARG 9 -4.043 -8.535 -0.584 72 2HD ARG 9 2HD ARG 9 -4.322 -10.256 -0.766 73 HE ARG 9 HE ARG 9 -4.386 -9.629 2.024 74 1HH1 ARG 9 1HH1 ARG 9 -6.375 -9.447 3.135 75 2HH1 ARG 9 2HH1 ARG 9 -7.836 -9.154 2.251 76 1HH2 ARG 9 1HH2 ARG 9 -6.265 -9.086 -0.901 77 2HH2 ARG 9 2HH2 ARG 9 -7.773 -8.948 -0.060 78 H SER 10 H SER 10 -0.588 -10.892 2.328 79 HA SER 10 HA SER 10 -1.724 -9.688 4.644 80 1HB SER 10 1HB SER 10 -1.427 -12.373 3.523 81 2HB SER 10 2HB SER 10 -1.023 -12.372 5.228 82 HG SER 10 HG SER 10 -3.357 -10.931 4.503 83 H CYS 11 H CYS 11 1.248 -11.685 3.959 84 HA CYS 11 HA CYS 11 3.237 -11.720 4.882 85 1HB CYS 11 1HB CYS 11 2.486 -8.898 5.662 86 2HB CYS 11 2HB CYS 11 4.023 -9.598 6.129 87 HG CYS 11 HG CYS 11 5.057 -9.914 3.912 88 HA PRO 12 HA PRO 12 2.494 -13.125 8.938 89 1HB PRO 12 1HB PRO 12 5.035 -13.535 9.858 90 2HB PRO 12 2HB PRO 12 4.203 -14.663 8.808 91 1HG PRO 12 1HG PRO 12 6.369 -12.765 8.143 92 2HG PRO 12 2HG PRO 12 5.826 -14.170 7.246 93 1HD PRO 12 1HD PRO 12 5.259 -11.423 6.643 94 2HD PRO 12 2HD PRO 12 4.623 -12.831 5.816 95 H VAL 13 H VAL 13 1.594 -10.826 9.206 96 HA VAL 13 HA VAL 13 3.285 -9.493 11.202 97 HB VAL 13 HB VAL 13 2.766 -8.197 9.193 98 1HG1 VAL 13 1HG1 VAL 13 0.173 -9.350 9.505 99 2HG1 VAL 13 2HG1 VAL 13 0.007 -7.582 9.625 100 3HG1 VAL 13 3HG1 VAL 13 0.777 -8.308 8.194 101 1HG2 VAL 13 1HG2 VAL 13 1.573 -7.317 11.825 102 2HG2 VAL 13 2HG2 VAL 13 3.124 -6.853 11.085 103 3HG2 VAL 13 3HG2 VAL 13 1.596 -6.244 10.404 104 H LEU 14 H LEU 14 0.261 -11.183 10.559 105 HA LEU 14 HA LEU 14 -0.921 -10.281 13.037 106 1HB LEU 14 1HB LEU 14 -1.945 -11.028 10.634 107 2HB LEU 14 2HB LEU 14 -2.119 -12.521 11.534 108 HG LEU 14 HG LEU 14 -4.151 -11.190 11.644 109 1HD1 LEU 14 1HD1 LEU 14 -2.614 -11.970 14.016 110 2HD1 LEU 14 2HD1 LEU 14 -3.892 -10.777 14.348 111 3HD1 LEU 14 3HD1 LEU 14 -4.299 -12.323 13.565 112 1HD2 LEU 14 1HD2 LEU 14 -2.678 -8.984 11.539 113 2HD2 LEU 14 2HD2 LEU 14 -4.311 -8.998 12.248 114 3HD2 LEU 14 3HD2 LEU 14 -2.880 -9.062 13.305 115 H SER 15 H SER 15 -0.109 -13.533 11.619 116 HA SER 15 HA SER 15 0.561 -15.380 12.539 117 1HB SER 15 1HB SER 15 2.388 -15.314 14.011 118 2HB SER 15 2HB SER 15 2.446 -13.726 13.273 119 HG SER 15 HG SER 15 2.622 -13.317 15.451 120 H GLN 16 H GLN 16 0.212 -16.939 14.401 121 HA GLN 16 HA GLN 16 -2.348 -16.577 15.432 122 1HB GLN 16 1HB GLN 16 -0.392 -18.674 15.256 123 2HB GLN 16 2HB GLN 16 -0.912 -18.587 16.927 124 1HG GLN 16 1HG GLN 16 -3.073 -18.417 14.850 125 2HG GLN 16 2HG GLN 16 -2.276 -19.969 15.016 126 1HE2 GLN 16 2HE2 GLN 16 -4.327 -20.747 15.727 127 2HE2 GLN 16 1HE2 GLN 16 -4.837 -20.558 17.371 128 H GLY 17 H GLY 17 -3.109 -15.935 17.464 129 1HA GLY 17 1HA GLY 17 -2.493 -14.103 19.006 130 2HA GLY 17 2HA GLY 17 -1.041 -15.014 19.371 131 HA PRO 18 HA PRO 18 -3.295 -17.091 22.442 132 1HB PRO 18 1HB PRO 18 -3.245 -15.413 24.598 133 2HB PRO 18 2HB PRO 18 -1.881 -16.407 24.126 134 1HG PRO 18 1HG PRO 18 -2.262 -13.496 23.778 135 2HG PRO 18 2HG PRO 18 -0.777 -14.425 23.711 136 1HD PRO 18 1HD PRO 18 -2.248 -13.376 21.483 137 2HD PRO 18 2HD PRO 18 -0.829 -14.402 21.412 138 H THR 19 H THR 19 -4.398 -13.785 22.067 139 HA THR 19 HA THR 19 -6.447 -12.924 22.040 140 HB THR 19 HB THR 19 -7.254 -15.829 21.488 141 HG1 THR 19 HG1 THR 19 -5.626 -14.716 20.074 142 1HG2 THR 19 1HG2 THR 19 -8.676 -13.157 21.245 143 2HG2 THR 19 2HG2 THR 19 -8.997 -14.434 20.047 144 3HG2 THR 19 3HG2 THR 19 -9.333 -14.725 21.771 145 H GLY 20 H GLY 20 -5.290 -13.448 24.558 146 1HA GLY 20 1HA GLY 20 -5.822 -13.590 26.738 147 2HA GLY 20 2HA GLY 20 -7.017 -14.802 26.321 148 H LEU 21 H LEU 21 -6.904 -11.419 25.080 149 HA LEU 21 HA LEU 21 -8.563 -10.199 26.869 150 1HB LEU 21 1HB LEU 21 -7.804 -9.811 24.042 151 2HB LEU 21 2HB LEU 21 -9.288 -9.019 24.536 152 HG LEU 21 HG LEU 21 -8.013 -7.948 26.422 153 1HD1 LEU 21 1HD1 LEU 21 -5.648 -9.181 24.989 154 2HD1 LEU 21 2HD1 LEU 21 -5.527 -7.862 26.177 155 3HD1 LEU 21 3HD1 LEU 21 -6.164 -9.449 26.671 156 1HD2 LEU 21 1HD2 LEU 21 -8.545 -6.799 24.290 157 2HD2 LEU 21 2HD2 LEU 21 -7.046 -6.215 25.053 158 3HD2 LEU 21 3HD2 LEU 21 -6.963 -7.310 23.653 159 H LEU 22 H LEU 22 -9.664 -11.596 23.694 160 HA LEU 22 HA LEU 22 -12.352 -11.424 24.235 161 1HB LEU 22 1HB LEU 22 -10.622 -12.968 22.394 162 2HB LEU 22 2HB LEU 22 -12.243 -13.590 22.632 163 HG LEU 22 HG LEU 22 -11.554 -10.786 21.708 164 1HD1 LEU 22 1HD1 LEU 22 -11.021 -12.536 20.049 165 2HD1 LEU 22 2HD1 LEU 22 -12.707 -13.103 20.130 166 3HD1 LEU 22 3HD1 LEU 22 -12.346 -11.468 19.525 167 1HD2 LEU 22 1HD2 LEU 22 -14.023 -11.967 22.722 168 2HD2 LEU 22 2HD2 LEU 22 -13.600 -10.264 22.420 169 3HD2 LEU 22 3HD2 LEU 22 -14.207 -11.280 21.091 170 H GLY 23 H GLY 23 -9.926 -13.534 25.604 171 1HA GLY 23 1HA GLY 23 -10.053 -15.335 26.962 172 2HA GLY 23 2HA GLY 23 -11.668 -15.660 26.366 173 H LYS 24 H LYS 24 -11.097 -12.404 27.532 174 HA LYS 24 HA LYS 24 -12.890 -12.930 29.740 175 1HB LYS 24 1HB LYS 24 -10.036 -12.012 30.126 176 2HB LYS 24 2HB LYS 24 -11.292 -11.675 31.299 177 1HG LYS 24 1HG LYS 24 -10.536 -14.462 30.300 178 2HG LYS 24 2HG LYS 24 -10.025 -13.772 31.827 179 1HD LYS 24 1HD LYS 24 -12.884 -13.470 31.669 180 2HD LYS 24 2HD LYS 24 -12.510 -15.117 31.202 181 1HE LYS 24 1HE LYS 24 -11.842 -15.699 33.317 182 2HE LYS 24 2HE LYS 24 -10.948 -14.210 33.550 183 H VAL 25 H VAL 25 -14.182 -11.723 28.083 184 HA VAL 25 HA VAL 25 -13.467 -8.882 28.023 185 HB VAL 25 HB VAL 25 -15.375 -8.937 26.261 186 1HG1 VAL 25 1HG1 VAL 25 -12.556 -9.952 25.950 187 2HG1 VAL 25 2HG1 VAL 25 -13.642 -9.859 24.543 188 3HG1 VAL 25 3HG1 VAL 25 -13.258 -8.388 25.468 189 1HG2 VAL 25 1HG2 VAL 25 -15.811 -11.439 27.006 190 2HG2 VAL 25 2HG2 VAL 25 -16.007 -10.936 25.310 191 3HG2 VAL 25 3HG2 VAL 25 -14.526 -11.779 25.823 192 H ALA 26 H ALA 26 -16.766 -9.726 27.359 193 HA ALA 26 HA ALA 26 -17.892 -8.038 29.132 194 1HB ALA 26 1HB ALA 26 -18.746 -10.535 27.728 195 2HB ALA 26 2HB ALA 26 -19.802 -9.939 29.031 196 3HB ALA 26 3HB ALA 26 -19.419 -8.889 27.646 No H/Q in entry = 196 Start of MODEL 10 1 H MET 1 H MET 1 5.267 -26.928 -3.115 2 HA MET 1 HA MET 1 6.677 -25.275 -3.687 3 1HB MET 1 1HB MET 1 5.262 -25.326 -6.040 4 2HB MET 1 2HB MET 1 4.692 -23.793 -5.409 5 1HG MET 1 1HG MET 1 6.586 -22.950 -6.399 6 2HG MET 1 2HG MET 1 7.383 -23.515 -4.944 7 1HE MET 1 1HE MET 1 6.856 -23.435 -8.344 8 2HE MET 1 2HE MET 1 8.456 -24.022 -8.858 9 3HE MET 1 3HE MET 1 7.024 -25.063 -9.044 10 H VAL 2 H VAL 2 6.677 -22.766 -3.283 11 HA VAL 2 HA VAL 2 4.516 -22.210 -1.371 12 HB VAL 2 HB VAL 2 6.282 -20.676 -0.355 13 1HG1 VAL 2 1HG1 VAL 2 6.502 -23.696 -0.279 14 2HG1 VAL 2 2HG1 VAL 2 7.406 -22.629 0.822 15 3HG1 VAL 2 3HG1 VAL 2 5.626 -22.624 0.839 16 1HG2 VAL 2 1HG2 VAL 2 7.753 -21.097 -2.528 17 2HG2 VAL 2 2HG2 VAL 2 8.498 -20.812 -0.937 18 3HG2 VAL 2 3HG2 VAL 2 8.349 -22.471 -1.566 19 H ALA 3 H ALA 3 3.067 -20.812 -2.226 20 HA ALA 3 HA ALA 3 4.119 -18.769 -4.055 21 1HB ALA 3 1HB ALA 3 1.639 -20.415 -3.931 22 2HB ALA 3 2HB ALA 3 2.523 -19.781 -5.339 23 3HB ALA 3 3HB ALA 3 1.429 -18.717 -4.423 24 H ALA 4 H ALA 4 4.815 -17.970 -1.687 25 HA ALA 4 HA ALA 4 2.727 -16.832 -0.132 26 1HB ALA 4 1HB ALA 4 5.509 -15.783 0.071 27 2HB ALA 4 2HB ALA 4 4.414 -16.379 1.342 28 3HB ALA 4 3HB ALA 4 5.310 -17.533 0.325 29 H ALA 5 H ALA 5 5.375 -15.338 -2.138 30 HA ALA 5 HA ALA 5 4.593 -12.763 -2.051 31 1HB ALA 5 1HB ALA 5 5.881 -14.502 -4.136 32 2HB ALA 5 2HB ALA 5 6.554 -13.129 -3.225 33 3HB ALA 5 3HB ALA 5 5.434 -12.836 -4.577 34 H MET 6 H MET 6 3.136 -15.421 -3.979 35 HA MET 6 HA MET 6 1.600 -14.071 -5.697 36 1HB MET 6 1HB MET 6 1.777 -16.671 -4.803 37 2HB MET 6 2HB MET 6 0.211 -16.245 -4.141 38 1HG MET 6 1HG MET 6 -0.783 -16.305 -6.194 39 2HG MET 6 2HG MET 6 0.467 -15.313 -6.916 40 1HE MET 6 1HE MET 6 3.055 -16.456 -7.123 41 2HE MET 6 2HE MET 6 2.962 -17.678 -8.415 42 3HE MET 6 3HE MET 6 2.081 -16.140 -8.579 43 H LEU 7 H LEU 7 1.026 -14.487 -2.174 44 HA LEU 7 HA LEU 7 -1.170 -12.554 -2.438 45 1HB LEU 7 1HB LEU 7 -0.991 -14.850 -0.482 46 2HB LEU 7 2HB LEU 7 -2.270 -13.655 -0.562 47 HG LEU 7 HG LEU 7 -2.181 -14.725 -3.143 48 1HD1 LEU 7 1HD1 LEU 7 -0.698 -16.516 -2.151 49 2HD1 LEU 7 2HD1 LEU 7 -2.106 -17.032 -1.191 50 3HD1 LEU 7 3HD1 LEU 7 -2.172 -17.087 -2.969 51 1HD2 LEU 7 1HD2 LEU 7 -4.173 -14.023 -1.886 52 2HD2 LEU 7 2HD2 LEU 7 -4.363 -15.648 -2.588 53 3HD2 LEU 7 3HD2 LEU 7 -4.022 -15.463 -0.851 54 H LEU 8 H LEU 8 1.320 -11.521 -2.279 55 HA LEU 8 HA LEU 8 1.284 -10.397 0.381 56 1HB LEU 8 1HB LEU 8 2.871 -11.721 1.165 57 2HB LEU 8 2HB LEU 8 3.194 -12.418 -0.410 58 HG LEU 8 HG LEU 8 4.649 -10.465 -0.944 59 1HD1 LEU 8 1HD1 LEU 8 3.403 -9.318 1.304 60 2HD1 LEU 8 2HD1 LEU 8 5.109 -9.560 1.752 61 3HD1 LEU 8 3HD1 LEU 8 4.696 -8.626 0.295 62 1HD2 LEU 8 1HD2 LEU 8 5.557 -12.595 -0.084 63 2HD2 LEU 8 2HD2 LEU 8 6.537 -11.186 0.388 64 3HD2 LEU 8 3HD2 LEU 8 5.451 -11.952 1.572 65 H ARG 9 H ARG 9 3.055 -10.615 -2.779 66 HA ARG 9 HA ARG 9 4.269 -8.279 -2.846 67 1HB ARG 9 1HB ARG 9 3.904 -8.268 -5.322 68 2HB ARG 9 2HB ARG 9 4.284 -9.873 -4.732 69 1HG ARG 9 1HG ARG 9 1.941 -10.546 -4.810 70 2HG ARG 9 2HG ARG 9 1.418 -8.903 -5.120 71 1HD ARG 9 1HD ARG 9 3.119 -9.192 -7.224 72 2HD ARG 9 2HD ARG 9 2.693 -10.877 -6.996 73 HE ARG 9 HE ARG 9 0.931 -8.747 -7.954 74 1HH1 ARG 9 1HH1 ARG 9 -1.187 -9.319 -8.596 75 2HH1 ARG 9 2HH1 ARG 9 -1.841 -10.859 -8.147 76 1HH2 ARG 9 1HH2 ARG 9 1.037 -11.906 -6.408 77 2HH2 ARG 9 2HH2 ARG 9 -0.568 -12.340 -6.894 78 H SER 10 H SER 10 0.762 -8.820 -2.926 79 HA SER 10 HA SER 10 0.435 -5.927 -2.982 80 1HB SER 10 1HB SER 10 -1.718 -6.269 -4.229 81 2HB SER 10 2HB SER 10 -0.301 -6.719 -5.157 82 HG SER 10 HG SER 10 -1.271 -8.605 -5.417 83 H CYS 11 H CYS 11 0.683 -6.729 -0.547 84 HA CYS 11 HA CYS 11 -1.540 -8.093 0.546 85 1HB CYS 11 1HB CYS 11 1.017 -7.425 1.420 86 2HB CYS 11 2HB CYS 11 -0.023 -6.442 2.432 87 HG CYS 11 HG CYS 11 -1.755 -8.723 2.577 88 HA PRO 12 HA PRO 12 -2.745 -3.641 1.700 89 1HB PRO 12 1HB PRO 12 -1.324 -1.529 0.707 90 2HB PRO 12 2HB PRO 12 -1.031 -2.222 2.290 91 1HG PRO 12 1HG PRO 12 0.564 -2.509 -0.182 92 2HG PRO 12 2HG PRO 12 1.041 -2.823 1.475 93 1HD PRO 12 1HD PRO 12 0.358 -4.774 -0.513 94 2HD PRO 12 2HD PRO 12 0.722 -5.080 1.173 95 H VAL 13 H VAL 13 -4.659 -3.858 0.679 96 HA VAL 13 HA VAL 13 -4.595 -3.236 -2.173 97 HB VAL 13 HB VAL 13 -6.935 -4.278 -0.594 98 1HG1 VAL 13 1HG1 VAL 13 -7.218 -3.450 -2.956 99 2HG1 VAL 13 2HG1 VAL 13 -6.133 -4.760 -3.479 100 3HG1 VAL 13 3HG1 VAL 13 -7.684 -5.148 -2.697 101 1HG2 VAL 13 1HG2 VAL 13 -4.970 -5.710 -0.098 102 2HG2 VAL 13 2HG2 VAL 13 -6.220 -6.559 -1.039 103 3HG2 VAL 13 3HG2 VAL 13 -4.745 -5.971 -1.844 104 H LEU 14 H LEU 14 -4.436 -1.342 0.321 105 HA LEU 14 HA LEU 14 -6.583 0.414 -0.634 106 1HB LEU 14 1HB LEU 14 -5.992 -0.521 2.107 107 2HB LEU 14 2HB LEU 14 -6.289 1.198 1.941 108 HG LEU 14 HG LEU 14 -8.415 0.406 0.596 109 1HD1 LEU 14 1HD1 LEU 14 -7.786 -2.022 2.296 110 2HD1 LEU 14 2HD1 LEU 14 -9.359 -1.689 1.532 111 3HD1 LEU 14 3HD1 LEU 14 -7.917 -1.951 0.522 112 1HD2 LEU 14 1HD2 LEU 14 -7.886 1.172 3.281 113 2HD2 LEU 14 2HD2 LEU 14 -9.382 1.376 2.337 114 3HD2 LEU 14 3HD2 LEU 14 -9.139 -0.092 3.314 115 H SER 15 H SER 15 -4.835 1.151 -2.107 116 HA SER 15 HA SER 15 -2.844 2.710 -0.666 117 1HB SER 15 1HB SER 15 -2.223 0.924 -2.472 118 2HB SER 15 2HB SER 15 -2.792 2.100 -3.640 119 HG SER 15 HG SER 15 -0.373 2.011 -2.749 120 H GLN 16 H GLN 16 -4.202 4.540 -0.196 121 HA GLN 16 HA GLN 16 -5.704 5.735 -2.269 122 1HB GLN 16 1HB GLN 16 -6.208 7.467 -0.598 123 2HB GLN 16 2HB GLN 16 -6.368 5.874 0.115 124 1HG GLN 16 1HG GLN 16 -3.655 7.131 0.322 125 2HG GLN 16 2HG GLN 16 -4.925 7.899 1.254 126 1HE2 GLN 16 2HE2 GLN 16 -5.502 7.073 3.131 127 2HE2 GLN 16 1HE2 GLN 16 -5.043 5.529 3.767 128 H GLY 17 H GLY 17 -5.367 7.971 -3.104 129 1HA GLY 17 1HA GLY 17 -4.106 9.706 -3.838 130 2HA GLY 17 2HA GLY 17 -3.056 8.417 -4.390 131 HA PRO 18 HA PRO 18 -0.034 9.734 -1.574 132 1HB PRO 18 1HB PRO 18 1.465 11.462 -3.070 133 2HB PRO 18 2HB PRO 18 1.608 9.719 -3.188 134 1HG PRO 18 1HG PRO 18 0.312 11.603 -5.062 135 2HG PRO 18 2HG PRO 18 0.837 9.956 -5.349 136 1HD PRO 18 1HD PRO 18 -1.855 10.851 -4.928 137 2HD PRO 18 2HD PRO 18 -1.317 9.192 -5.100 138 H THR 19 H THR 19 -2.505 11.657 -2.420 139 HA THR 19 HA THR 19 -1.936 14.197 -1.781 140 HB THR 19 HB THR 19 -4.186 13.332 -2.366 141 HG1 THR 19 HG1 THR 19 -4.991 14.997 -1.120 142 1HG2 THR 19 1HG2 THR 19 -3.973 11.286 -0.732 143 2HG2 THR 19 2HG2 THR 19 -4.456 12.440 0.535 144 3HG2 THR 19 3HG2 THR 19 -5.550 12.106 -0.829 145 H GLY 20 H GLY 20 -2.453 11.569 0.654 146 1HA GLY 20 1HA GLY 20 -0.517 12.135 2.404 147 2HA GLY 20 2HA GLY 20 -2.114 11.609 2.900 148 H LEU 21 H LEU 21 -3.845 13.582 2.732 149 HA LEU 21 HA LEU 21 -2.757 15.574 4.514 150 1HB LEU 21 1HB LEU 21 -3.291 16.108 1.693 151 2HB LEU 21 2HB LEU 21 -4.187 17.166 2.765 152 HG LEU 21 HG LEU 21 -1.617 17.187 3.836 153 1HD1 LEU 21 1HD1 LEU 21 -1.508 16.896 0.850 154 2HD1 LEU 21 2HD1 LEU 21 -0.332 17.931 1.695 155 3HD1 LEU 21 3HD1 LEU 21 -0.451 16.203 2.102 156 1HD2 LEU 21 1HD2 LEU 21 -3.439 19.016 2.457 157 2HD2 LEU 21 2HD2 LEU 21 -2.419 19.269 3.894 158 3HD2 LEU 21 3HD2 LEU 21 -1.723 19.450 2.266 159 H LEU 22 H LEU 22 -5.681 15.076 2.408 160 HA LEU 22 HA LEU 22 -7.540 15.962 4.177 161 1HB LEU 22 1HB LEU 22 -7.796 15.249 1.767 162 2HB LEU 22 2HB LEU 22 -7.923 13.599 2.343 163 HG LEU 22 HG LEU 22 -9.763 15.683 3.475 164 1HD1 LEU 22 1HD1 LEU 22 -9.741 15.900 0.956 165 2HD1 LEU 22 2HD1 LEU 22 -10.369 14.235 0.891 166 3HD1 LEU 22 3HD1 LEU 22 -11.314 15.513 1.693 167 1HD2 LEU 22 1HD2 LEU 22 -9.730 12.703 3.168 168 2HD2 LEU 22 2HD2 LEU 22 -10.096 13.704 4.593 169 3HD2 LEU 22 3HD2 LEU 22 -11.289 13.555 3.280 170 H GLY 23 H GLY 23 -5.599 13.032 4.330 171 1HA GLY 23 1HA GLY 23 -5.360 11.523 5.985 172 2HA GLY 23 2HA GLY 23 -7.097 11.328 5.856 173 H LYS 24 H LYS 24 -5.119 14.161 6.972 174 HA LYS 24 HA LYS 24 -6.200 13.758 9.652 175 1HB LYS 24 1HB LYS 24 -3.741 14.923 8.513 176 2HB LYS 24 2HB LYS 24 -4.438 15.857 9.821 177 1HG LYS 24 1HG LYS 24 -4.170 14.138 11.391 178 2HG LYS 24 2HG LYS 24 -4.260 12.870 10.185 179 1HD LYS 24 1HD LYS 24 -2.006 13.452 9.346 180 2HD LYS 24 2HD LYS 24 -1.917 14.813 10.446 181 1HE LYS 24 1HE LYS 24 -2.068 13.254 12.396 182 2HE LYS 24 2HE LYS 24 -2.173 11.889 11.302 183 H VAL 25 H VAL 25 -7.960 14.591 7.476 184 HA VAL 25 HA VAL 25 -8.582 17.288 8.461 185 HB VAL 25 HB VAL 25 -8.876 16.158 5.672 186 1HG1 VAL 25 1HG1 VAL 25 -10.438 18.151 6.982 187 2HG1 VAL 25 2HG1 VAL 25 -9.394 18.971 5.796 188 3HG1 VAL 25 3HG1 VAL 25 -10.475 17.658 5.272 189 1HG2 VAL 25 1HG2 VAL 25 -7.004 18.142 6.944 190 2HG2 VAL 25 2HG2 VAL 25 -6.650 16.799 5.830 191 3HG2 VAL 25 3HG2 VAL 25 -7.421 18.282 5.220 192 H ALA 26 H ALA 26 -10.728 15.855 6.149 193 HA ALA 26 HA ALA 26 -12.882 15.324 6.365 194 1HB ALA 26 1HB ALA 26 -11.588 13.185 6.797 195 2HB ALA 26 2HB ALA 26 -13.243 13.208 7.454 196 3HB ALA 26 3HB ALA 26 -11.852 13.461 8.536 No H/Q in entry = 196 Start of MODEL 11 1 H MET 1 H MET 1 8.131 -26.019 -2.314 2 HA MET 1 HA MET 1 7.849 -24.395 -3.789 3 1HB MET 1 1HB MET 1 5.122 -25.475 -3.654 4 2HB MET 1 2HB MET 1 5.060 -23.727 -3.768 5 1HG MET 1 1HG MET 1 6.903 -25.264 -5.620 6 2HG MET 1 2HG MET 1 5.189 -25.204 -5.976 7 1HE MET 1 1HE MET 1 8.396 -23.797 -5.638 8 2HE MET 1 2HE MET 1 8.353 -22.802 -7.113 9 3HE MET 1 3HE MET 1 8.254 -22.027 -5.514 10 H VAL 2 H VAL 2 6.921 -21.985 -3.779 11 HA VAL 2 HA VAL 2 6.847 -21.165 -0.958 12 HB VAL 2 HB VAL 2 7.764 -18.990 -1.957 13 1HG1 VAL 2 1HG1 VAL 2 9.215 -21.567 -1.520 14 2HG1 VAL 2 2HG1 VAL 2 10.130 -20.195 -2.189 15 3HG1 VAL 2 3HG1 VAL 2 9.304 -20.034 -0.620 16 1HG2 VAL 2 1HG2 VAL 2 7.302 -20.159 -4.361 17 2HG2 VAL 2 2HG2 VAL 2 8.501 -18.870 -4.095 18 3HG2 VAL 2 3HG2 VAL 2 9.017 -20.574 -4.129 19 H ALA 3 H ALA 3 4.814 -20.623 -0.362 20 HA ALA 3 HA ALA 3 3.152 -19.306 -2.398 21 1HB ALA 3 1HB ALA 3 1.940 -21.198 -1.884 22 2HB ALA 3 2HB ALA 3 2.617 -21.318 -0.242 23 3HB ALA 3 3HB ALA 3 1.347 -20.122 -0.595 24 H ALA 4 H ALA 4 4.562 -17.370 -1.694 25 HA ALA 4 HA ALA 4 3.019 -15.876 0.197 26 1HB ALA 4 1HB ALA 4 5.771 -15.614 1.052 27 2HB ALA 4 2HB ALA 4 4.336 -16.056 2.008 28 3HB ALA 4 3HB ALA 4 5.265 -17.317 1.164 29 H ALA 5 H ALA 5 3.448 -15.727 -2.620 30 HA ALA 5 HA ALA 5 4.906 -13.187 -2.714 31 1HB ALA 5 1HB ALA 5 6.040 -15.427 -3.695 32 2HB ALA 5 2HB ALA 5 5.034 -14.989 -5.096 33 3HB ALA 5 3HB ALA 5 6.236 -13.836 -4.469 34 H MET 6 H MET 6 2.586 -15.470 -4.300 35 HA MET 6 HA MET 6 1.412 -13.250 -5.698 36 1HB MET 6 1HB MET 6 0.951 -16.271 -5.616 37 2HB MET 6 2HB MET 6 -0.157 -15.220 -6.476 38 1HG MET 6 1HG MET 6 1.257 -15.469 -8.254 39 2HG MET 6 2HG MET 6 2.292 -14.323 -7.426 40 1HE MET 6 1HE MET 6 2.285 -17.406 -9.232 41 2HE MET 6 2HE MET 6 3.612 -16.240 -9.441 42 3HE MET 6 3HE MET 6 3.963 -17.899 -8.903 43 H LEU 7 H LEU 7 1.240 -12.981 -2.866 44 HA LEU 7 HA LEU 7 -1.590 -12.728 -2.610 45 1HB LEU 7 1HB LEU 7 -1.703 -14.068 -0.498 46 2HB LEU 7 2HB LEU 7 -1.615 -14.979 -1.992 47 HG LEU 7 HG LEU 7 0.741 -14.461 -0.157 48 1HD1 LEU 7 1HD1 LEU 7 -1.193 -15.913 0.735 49 2HD1 LEU 7 2HD1 LEU 7 -0.659 -17.109 -0.470 50 3HD1 LEU 7 3HD1 LEU 7 0.462 -16.567 0.802 51 1HD2 LEU 7 1HD2 LEU 7 0.418 -15.886 -2.766 52 2HD2 LEU 7 2HD2 LEU 7 1.754 -14.874 -2.168 53 3HD2 LEU 7 3HD2 LEU 7 1.558 -16.537 -1.565 54 H LEU 8 H LEU 8 1.649 -12.756 -1.012 55 HA LEU 8 HA LEU 8 0.865 -10.217 0.244 56 1HB LEU 8 1HB LEU 8 2.363 -10.793 2.093 57 2HB LEU 8 2HB LEU 8 0.998 -11.882 1.942 58 HG LEU 8 HG LEU 8 3.014 -13.126 0.462 59 1HD1 LEU 8 1HD1 LEU 8 4.383 -11.290 1.923 60 2HD1 LEU 8 2HD1 LEU 8 4.376 -12.675 3.041 61 3HD1 LEU 8 3HD1 LEU 8 5.039 -12.859 1.399 62 1HD2 LEU 8 1HD2 LEU 8 1.215 -13.950 2.170 63 2HD2 LEU 8 2HD2 LEU 8 2.713 -14.880 1.926 64 3HD2 LEU 8 3HD2 LEU 8 2.546 -13.816 3.343 65 H ARG 9 H ARG 9 1.670 -9.803 -2.205 66 HA ARG 9 HA ARG 9 4.536 -9.733 -2.283 67 1HB ARG 9 1HB ARG 9 2.545 -10.020 -4.224 68 2HB ARG 9 2HB ARG 9 3.046 -8.357 -4.456 69 1HG ARG 9 1HG ARG 9 5.388 -10.063 -4.074 70 2HG ARG 9 2HG ARG 9 4.383 -10.703 -5.359 71 1HD ARG 9 1HD ARG 9 4.607 -7.783 -5.570 72 2HD ARG 9 2HD ARG 9 6.192 -8.528 -5.543 73 HE ARG 9 HE ARG 9 4.193 -8.766 -7.662 74 1HH1 ARG 9 1HH1 ARG 9 4.750 -9.950 -9.536 75 2HH1 ARG 9 2HH1 ARG 9 6.127 -11.000 -9.518 76 1HH2 ARG 9 1HH2 ARG 9 6.983 -10.309 -6.172 77 2HH2 ARG 9 2HH2 ARG 9 7.406 -11.206 -7.592 78 H SER 10 H SER 10 1.906 -7.749 -1.264 79 HA SER 10 HA SER 10 3.640 -5.649 -0.616 80 1HB SER 10 1HB SER 10 2.407 -3.870 -1.974 81 2HB SER 10 2HB SER 10 3.489 -4.905 -2.884 82 HG SER 10 HG SER 10 1.832 -5.551 -4.063 83 H CYS 11 H CYS 11 2.430 -6.764 1.292 84 HA CYS 11 HA CYS 11 -0.270 -6.541 1.670 85 1HB CYS 11 1HB CYS 11 0.201 -6.723 4.070 86 2HB CYS 11 2HB CYS 11 1.177 -7.844 3.142 87 HG CYS 11 HG CYS 11 2.693 -6.949 5.015 88 HA PRO 12 HA PRO 12 -0.876 -2.267 2.262 89 1HB PRO 12 1HB PRO 12 -3.180 -2.239 3.730 90 2HB PRO 12 2HB PRO 12 -3.154 -2.470 1.994 91 1HG PRO 12 1HG PRO 12 -3.607 -4.470 4.122 92 2HG PRO 12 2HG PRO 12 -3.989 -4.578 2.415 93 1HD PRO 12 1HD PRO 12 -1.791 -5.833 3.765 94 2HD PRO 12 2HD PRO 12 -2.108 -5.845 2.041 95 H VAL 13 H VAL 13 -1.188 -4.165 5.205 96 HA VAL 13 HA VAL 13 0.484 -2.156 6.495 97 HB VAL 13 HB VAL 13 -2.214 -3.100 7.474 98 1HG1 VAL 13 1HG1 VAL 13 0.073 -1.800 8.950 99 2HG1 VAL 13 2HG1 VAL 13 -1.614 -1.535 9.454 100 3HG1 VAL 13 3HG1 VAL 13 -0.939 -3.183 9.431 101 1HG2 VAL 13 1HG2 VAL 13 -1.108 -0.514 6.447 102 2HG2 VAL 13 2HG2 VAL 13 -2.700 -1.264 6.183 103 3HG2 VAL 13 3HG2 VAL 13 -2.341 -0.460 7.730 104 H LEU 14 H LEU 14 -1.334 -4.678 8.209 105 HA LEU 14 HA LEU 14 -0.745 -6.665 9.006 106 1HB LEU 14 1HB LEU 14 0.289 -6.959 6.690 107 2HB LEU 14 2HB LEU 14 1.824 -6.564 7.437 108 HG LEU 14 HG LEU 14 0.804 -8.553 9.092 109 1HD1 LEU 14 1HD1 LEU 14 -0.620 -8.742 6.664 110 2HD1 LEU 14 2HD1 LEU 14 0.583 -10.054 6.650 111 3HD1 LEU 14 3HD1 LEU 14 -0.565 -9.914 8.003 112 1HD2 LEU 14 1HD2 LEU 14 2.760 -8.740 6.787 113 2HD2 LEU 14 2HD2 LEU 14 3.125 -8.332 8.480 114 3HD2 LEU 14 3HD2 LEU 14 2.560 -9.967 8.061 115 H SER 15 H SER 15 2.201 -4.564 8.657 116 HA SER 15 HA SER 15 3.447 -5.349 10.927 117 1HB SER 15 1HB SER 15 3.610 -3.152 9.060 118 2HB SER 15 2HB SER 15 3.802 -2.505 10.678 119 HG SER 15 HG SER 15 5.455 -4.321 9.241 120 H GLN 16 H GLN 16 3.669 -4.216 13.079 121 HA GLN 16 HA GLN 16 2.861 -3.414 14.928 122 1HB GLN 16 1HB GLN 16 1.031 -1.821 13.084 123 2HB GLN 16 2HB GLN 16 1.086 -1.580 14.819 124 1HG GLN 16 1HG GLN 16 3.627 -1.221 14.569 125 2HG GLN 16 2HG GLN 16 3.370 -1.191 12.836 126 1HE2 GLN 16 2HE2 GLN 16 3.051 0.471 15.827 127 2HE2 GLN 16 1HE2 GLN 16 2.446 1.982 15.237 128 H GLY 17 H GLY 17 0.913 -3.485 16.451 129 1HA GLY 17 1HA GLY 17 -0.484 -5.090 17.348 130 2HA GLY 17 2HA GLY 17 -0.685 -5.829 15.772 131 HA PRO 18 HA PRO 18 -4.226 -2.987 16.736 132 1HB PRO 18 1HB PRO 18 -3.980 -0.871 18.449 133 2HB PRO 18 2HB PRO 18 -4.409 -2.486 18.976 134 1HG PRO 18 1HG PRO 18 -1.830 -1.068 19.257 135 2HG PRO 18 2HG PRO 18 -2.410 -2.475 20.127 136 1HD PRO 18 1HD PRO 18 -0.493 -2.446 17.994 137 2HD PRO 18 2HD PRO 18 -1.159 -3.860 18.785 138 H THR 19 H THR 19 -1.476 -0.782 16.716 139 HA THR 19 HA THR 19 -0.955 0.875 15.327 140 HB THR 19 HB THR 19 -3.044 -0.399 13.480 141 HG1 THR 19 HG1 THR 19 -1.484 -1.965 13.432 142 1HG2 THR 19 1HG2 THR 19 -1.348 1.902 13.150 143 2HG2 THR 19 2HG2 THR 19 -0.616 0.572 12.220 144 3HG2 THR 19 3HG2 THR 19 -2.295 1.066 11.896 145 H GLY 20 H GLY 20 -2.779 1.370 17.433 146 1HA GLY 20 1HA GLY 20 -4.009 3.121 18.144 147 2HA GLY 20 2HA GLY 20 -5.122 2.638 16.880 148 H LEU 21 H LEU 21 -1.889 4.305 17.094 149 HA LEU 21 HA LEU 21 -1.309 6.351 16.409 150 1HB LEU 21 1HB LEU 21 -1.381 4.592 14.379 151 2HB LEU 21 2HB LEU 21 -2.460 5.811 13.730 152 HG LEU 21 HG LEU 21 -0.442 7.419 14.496 153 1HD1 LEU 21 1HD1 LEU 21 0.680 4.706 14.506 154 2HD1 LEU 21 2HD1 LEU 21 1.573 5.857 13.484 155 3HD1 LEU 21 3HD1 LEU 21 1.306 6.217 15.207 156 1HD2 LEU 21 1HD2 LEU 21 -1.446 6.345 12.065 157 2HD2 LEU 21 2HD2 LEU 21 -0.557 7.864 12.329 158 3HD2 LEU 21 3HD2 LEU 21 0.330 6.368 11.953 159 H LEU 22 H LEU 22 -3.518 6.706 17.910 160 HA LEU 22 HA LEU 22 -5.166 8.517 16.285 161 1HB LEU 22 1HB LEU 22 -5.836 6.612 18.481 162 2HB LEU 22 2HB LEU 22 -6.748 8.104 18.367 163 HG LEU 22 HG LEU 22 -6.430 6.317 15.961 164 1HD1 LEU 22 1HD1 LEU 22 -7.947 5.745 18.416 165 2HD1 LEU 22 2HD1 LEU 22 -8.903 5.654 16.917 166 3HD1 LEU 22 3HD1 LEU 22 -7.433 4.667 17.096 167 1HD2 LEU 22 1HD2 LEU 22 -7.657 8.803 16.417 168 2HD2 LEU 22 2HD2 LEU 22 -7.787 7.768 14.974 169 3HD2 LEU 22 3HD2 LEU 22 -8.983 7.623 16.285 170 H GLY 23 H GLY 23 -4.269 10.513 16.534 171 1HA GLY 23 1HA GLY 23 -3.691 11.353 19.313 172 2HA GLY 23 2HA GLY 23 -4.433 12.383 18.105 173 H LYS 24 H LYS 24 -1.962 10.129 17.002 174 HA LYS 24 HA LYS 24 -0.020 12.332 16.982 175 1HB LYS 24 1HB LYS 24 1.713 10.601 16.892 176 2HB LYS 24 2HB LYS 24 0.718 10.449 18.326 177 1HG LYS 24 1HG LYS 24 -0.281 8.911 15.979 178 2HG LYS 24 2HG LYS 24 1.282 8.384 16.571 179 1HD LYS 24 1HD LYS 24 -0.389 8.843 18.870 180 2HD LYS 24 2HD LYS 24 -1.330 7.912 17.722 181 1HE LYS 24 1HE LYS 24 0.914 6.476 17.506 182 2HE LYS 24 2HE LYS 24 1.278 7.179 19.070 183 H VAL 25 H VAL 25 -2.296 11.949 15.109 184 HA VAL 25 HA VAL 25 -0.830 11.193 12.687 185 HB VAL 25 HB VAL 25 -3.248 11.368 11.753 186 1HG1 VAL 25 1HG1 VAL 25 -1.827 9.238 13.188 187 2HG1 VAL 25 2HG1 VAL 25 -3.589 8.993 13.124 188 3HG1 VAL 25 3HG1 VAL 25 -2.664 9.204 11.618 189 1HG2 VAL 25 1HG2 VAL 25 -3.964 12.382 14.072 190 2HG2 VAL 25 2HG2 VAL 25 -5.047 11.269 13.202 191 3HG2 VAL 25 3HG2 VAL 25 -4.063 10.673 14.560 192 H ALA 26 H ALA 26 -3.646 13.182 12.309 193 HA ALA 26 HA ALA 26 -1.937 15.337 11.377 194 1HB ALA 26 1HB ALA 26 -4.903 14.714 11.127 195 2HB ALA 26 2HB ALA 26 -3.657 14.601 9.860 196 3HB ALA 26 3HB ALA 26 -4.149 16.194 10.485 No H/Q in entry = 196 Start of MODEL 12 1 H MET 1 H MET 1 5.441 -18.411 -9.913 2 HA MET 1 HA MET 1 4.495 -20.332 -8.746 3 1HB MET 1 1HB MET 1 7.204 -20.147 -9.982 4 2HB MET 1 2HB MET 1 6.990 -21.586 -9.006 5 1HG MET 1 1HG MET 1 5.969 -22.501 -10.828 6 2HG MET 1 2HG MET 1 4.595 -21.486 -10.436 7 1HE MET 1 1HE MET 1 3.846 -21.603 -12.831 8 2HE MET 1 2HE MET 1 4.708 -20.942 -14.241 9 3HE MET 1 3HE MET 1 5.258 -22.461 -13.493 10 H VAL 2 H VAL 2 5.213 -18.457 -6.591 11 HA VAL 2 HA VAL 2 6.357 -20.419 -4.731 12 HB VAL 2 HB VAL 2 7.155 -18.198 -3.557 13 1HG1 VAL 2 1HG1 VAL 2 8.419 -19.926 -5.628 14 2HG1 VAL 2 2HG1 VAL 2 9.283 -18.433 -5.187 15 3HG1 VAL 2 3HG1 VAL 2 8.882 -19.634 -3.935 16 1HG2 VAL 2 1HG2 VAL 2 6.061 -16.888 -5.535 17 2HG2 VAL 2 2HG2 VAL 2 7.647 -16.375 -4.912 18 3HG2 VAL 2 3HG2 VAL 2 7.546 -17.327 -6.413 19 H ALA 3 H ALA 3 4.915 -20.955 -3.181 20 HA ALA 3 HA ALA 3 2.493 -19.445 -2.954 21 1HB ALA 3 1HB ALA 3 3.375 -22.093 -2.471 22 2HB ALA 3 2HB ALA 3 1.735 -21.439 -2.249 23 3HB ALA 3 3HB ALA 3 2.883 -21.442 -0.889 24 H ALA 4 H ALA 4 4.200 -17.521 -2.420 25 HA ALA 4 HA ALA 4 3.625 -16.760 0.194 26 1HB ALA 4 1HB ALA 4 6.431 -16.826 0.489 27 2HB ALA 4 2HB ALA 4 5.230 -17.784 1.389 28 3HB ALA 4 3HB ALA 4 5.976 -18.448 -0.086 29 H ALA 5 H ALA 5 3.138 -15.511 -2.141 30 HA ALA 5 HA ALA 5 4.515 -13.083 -1.849 31 1HB ALA 5 1HB ALA 5 5.871 -15.002 -3.451 32 2HB ALA 5 2HB ALA 5 6.250 -13.273 -3.262 33 3HB ALA 5 3HB ALA 5 5.166 -13.809 -4.568 34 H MET 6 H MET 6 2.823 -15.250 -4.215 35 HA MET 6 HA MET 6 1.581 -13.426 -5.720 36 1HB MET 6 1HB MET 6 1.420 -16.137 -5.396 37 2HB MET 6 2HB MET 6 -0.113 -15.698 -4.669 38 1HG MET 6 1HG MET 6 -0.805 -14.512 -6.720 39 2HG MET 6 2HG MET 6 0.769 -14.771 -7.445 40 1HE MET 6 1HE MET 6 1.861 -16.800 -7.627 41 2HE MET 6 2HE MET 6 1.193 -18.447 -7.552 42 3HE MET 6 3HE MET 6 1.040 -17.492 -9.046 43 H LEU 7 H LEU 7 0.641 -14.472 -2.403 44 HA LEU 7 HA LEU 7 -1.745 -12.898 -2.428 45 1HB LEU 7 1HB LEU 7 -0.253 -14.396 -0.276 46 2HB LEU 7 2HB LEU 7 -1.722 -13.490 0.029 47 HG LEU 7 HG LEU 7 -2.015 -15.357 -2.206 48 1HD1 LEU 7 1HD1 LEU 7 -0.660 -16.305 0.200 49 2HD1 LEU 7 2HD1 LEU 7 -2.175 -17.179 -0.129 50 3HD1 LEU 7 3HD1 LEU 7 -0.905 -17.101 -1.373 51 1HD2 LEU 7 1HD2 LEU 7 -3.608 -14.110 -0.250 52 2HD2 LEU 7 2HD2 LEU 7 -4.127 -15.221 -1.541 53 3HD2 LEU 7 3HD2 LEU 7 -3.714 -15.858 0.069 54 H LEU 8 H LEU 8 1.532 -12.644 -0.899 55 HA LEU 8 HA LEU 8 0.886 -9.914 -0.134 56 1HB LEU 8 1HB LEU 8 3.173 -11.769 0.515 57 2HB LEU 8 2HB LEU 8 3.152 -10.080 0.979 58 HG LEU 8 HG LEU 8 2.443 -11.790 2.728 59 1HD1 LEU 8 1HD1 LEU 8 1.514 -9.162 2.169 60 2HD1 LEU 8 2HD1 LEU 8 0.151 -10.094 2.834 61 3HD1 LEU 8 3HD1 LEU 8 1.677 -9.976 3.743 62 1HD2 LEU 8 1HD2 LEU 8 0.982 -13.044 1.043 63 2HD2 LEU 8 2HD2 LEU 8 0.318 -12.779 2.673 64 3HD2 LEU 8 3HD2 LEU 8 -0.222 -11.762 1.316 65 H ARG 9 H ARG 9 0.861 -10.242 -2.895 66 HA ARG 9 HA ARG 9 3.399 -9.789 -3.989 67 1HB ARG 9 1HB ARG 9 1.092 -10.587 -5.075 68 2HB ARG 9 2HB ARG 9 0.844 -8.873 -5.341 69 1HG ARG 9 1HG ARG 9 3.103 -8.779 -6.494 70 2HG ARG 9 2HG ARG 9 3.223 -10.518 -6.322 71 1HD ARG 9 1HD ARG 9 1.703 -10.927 -8.003 72 2HD ARG 9 2HD ARG 9 0.657 -9.606 -7.522 73 HE ARG 9 HE ARG 9 2.812 -9.489 -9.488 74 1HH1 ARG 9 1HH1 ARG 9 3.160 -7.519 -10.593 75 2HH1 ARG 9 2HH1 ARG 9 2.464 -6.053 -9.988 76 1HH2 ARG 9 1HH2 ARG 9 0.915 -7.583 -7.219 77 2HH2 ARG 9 2HH2 ARG 9 1.178 -6.090 -8.056 78 H SER 10 H SER 10 0.878 -7.760 -2.552 79 HA SER 10 HA SER 10 1.583 -5.359 -3.755 80 1HB SER 10 1HB SER 10 0.325 -5.912 -1.031 81 2HB SER 10 2HB SER 10 0.392 -4.329 -1.781 82 HG SER 10 HG SER 10 -1.163 -6.612 -2.494 83 H CYS 11 H CYS 11 2.433 -6.740 -0.493 84 HA CYS 11 HA CYS 11 4.056 -6.282 0.917 85 1HB CYS 11 1HB CYS 11 5.283 -7.154 -1.262 86 2HB CYS 11 2HB CYS 11 5.931 -5.526 -1.303 87 HG CYS 11 HG CYS 11 5.782 -7.115 1.556 88 HA PRO 12 HA PRO 12 3.397 -1.783 0.501 89 1HB PRO 12 1HB PRO 12 1.797 -1.423 2.687 90 2HB PRO 12 2HB PRO 12 1.168 -1.657 1.068 91 1HG PRO 12 1HG PRO 12 1.244 -3.569 3.321 92 2HG PRO 12 2HG PRO 12 0.266 -3.623 1.868 93 1HD PRO 12 1HD PRO 12 2.612 -5.179 2.415 94 2HD PRO 12 2HD PRO 12 1.701 -5.147 0.918 95 H VAL 13 H VAL 13 5.773 -2.223 0.940 96 HA VAL 13 HA VAL 13 6.341 -1.766 3.761 97 HB VAL 13 HB VAL 13 7.462 -3.572 2.466 98 1HG1 VAL 13 1HG1 VAL 13 8.726 -1.241 0.984 99 2HG1 VAL 13 2HG1 VAL 13 9.287 -2.929 0.904 100 3HG1 VAL 13 3HG1 VAL 13 7.669 -2.499 0.299 101 1HG2 VAL 13 1HG2 VAL 13 8.427 -2.304 4.503 102 2HG2 VAL 13 2HG2 VAL 13 9.531 -3.308 3.533 103 3HG2 VAL 13 3HG2 VAL 13 9.522 -1.540 3.327 104 H LEU 14 H LEU 14 6.205 -0.161 0.629 105 HA LEU 14 HA LEU 14 7.989 1.842 0.814 106 1HB LEU 14 1HB LEU 14 5.346 1.467 -0.396 107 2HB LEU 14 2HB LEU 14 5.746 3.147 -0.099 108 HG LEU 14 HG LEU 14 7.868 1.528 -1.400 109 1HD1 LEU 14 1HD1 LEU 14 5.717 0.717 -2.435 110 2HD1 LEU 14 2HD1 LEU 14 5.455 2.380 -3.013 111 3HD1 LEU 14 3HD1 LEU 14 6.879 1.462 -3.559 112 1HD2 LEU 14 1HD2 LEU 14 7.914 4.025 -0.869 113 2HD2 LEU 14 2HD2 LEU 14 8.378 3.531 -2.515 114 3HD2 LEU 14 3HD2 LEU 14 6.764 4.216 -2.213 115 H SER 15 H SER 15 4.645 1.961 2.243 116 HA SER 15 HA SER 15 5.775 3.823 4.183 117 1HB SER 15 1HB SER 15 3.333 4.027 2.484 118 2HB SER 15 2HB SER 15 3.106 4.482 4.161 119 HG SER 15 HG SER 15 4.891 5.987 3.944 120 H GLN 16 H GLN 16 5.288 3.397 6.359 121 HA GLN 16 HA GLN 16 3.101 1.799 7.083 122 1HB GLN 16 1HB GLN 16 4.680 0.041 6.163 123 2HB GLN 16 2HB GLN 16 5.830 0.479 7.411 124 1HG GLN 16 1HG GLN 16 4.194 -0.116 9.176 125 2HG GLN 16 2HG GLN 16 2.976 -0.461 7.965 126 1HE2 GLN 16 2HE2 GLN 16 5.570 -1.640 9.782 127 2HE2 GLN 16 1HE2 GLN 16 5.752 -3.204 9.060 128 H GLY 17 H GLY 17 3.059 3.969 8.213 129 1HA GLY 17 1HA GLY 17 3.796 5.425 9.857 130 2HA GLY 17 2HA GLY 17 5.005 4.266 10.372 131 HA PRO 18 HA PRO 18 2.281 2.967 13.487 132 1HB PRO 18 1HB PRO 18 2.773 4.690 15.551 133 2HB PRO 18 2HB PRO 18 3.825 3.346 15.153 134 1HG PRO 18 1HG PRO 18 4.229 6.230 14.643 135 2HG PRO 18 2HG PRO 18 5.414 4.940 14.648 136 1HD PRO 18 1HD PRO 18 4.274 6.213 12.345 137 2HD PRO 18 2HD PRO 18 5.371 4.847 12.352 138 H THR 19 H THR 19 1.671 5.671 11.803 139 HA THR 19 HA THR 19 -0.163 7.144 13.088 140 HB THR 19 HB THR 19 -1.313 7.185 10.747 141 HG1 THR 19 HG1 THR 19 0.156 5.959 9.214 142 1HG2 THR 19 1HG2 THR 19 1.729 7.495 10.951 143 2HG2 THR 19 2HG2 THR 19 0.750 8.072 9.581 144 3HG2 THR 19 3HG2 THR 19 0.522 8.781 11.198 145 H GLY 20 H GLY 20 -0.826 3.897 11.634 146 1HA GLY 20 1HA GLY 20 -2.360 2.353 12.227 147 2HA GLY 20 2HA GLY 20 -3.497 3.678 12.075 148 H LEU 21 H LEU 21 -0.887 2.816 14.465 149 HA LEU 21 HA LEU 21 -1.010 2.391 16.644 150 1HB LEU 21 1HB LEU 21 -1.333 4.985 16.225 151 2HB LEU 21 2HB LEU 21 -2.889 4.686 16.974 152 HG LEU 21 HG LEU 21 -1.288 3.454 18.774 153 1HD1 LEU 21 1HD1 LEU 21 0.405 5.531 17.404 154 2HD1 LEU 21 2HD1 LEU 21 0.623 5.158 19.131 155 3HD1 LEU 21 3HD1 LEU 21 0.829 3.878 17.910 156 1HD2 LEU 21 1HD2 LEU 21 -2.003 6.396 18.676 157 2HD2 LEU 21 2HD2 LEU 21 -2.993 5.069 19.329 158 3HD2 LEU 21 3HD2 LEU 21 -1.468 5.519 20.129 159 H LEU 22 H LEU 22 -2.300 0.393 15.885 160 HA LEU 22 HA LEU 22 -4.476 0.103 17.675 161 1HB LEU 22 1HB LEU 22 -6.292 -0.108 16.264 162 2HB LEU 22 2HB LEU 22 -5.491 1.351 15.715 163 HG LEU 22 HG LEU 22 -5.574 -1.354 14.383 164 1HD1 LEU 22 1HD1 LEU 22 -6.835 1.252 13.978 165 2HD1 LEU 22 2HD1 LEU 22 -6.065 0.610 12.508 166 3HD1 LEU 22 3HD1 LEU 22 -7.290 -0.356 13.366 167 1HD2 LEU 22 1HD2 LEU 22 -3.722 0.944 13.696 168 2HD2 LEU 22 2HD2 LEU 22 -3.249 -0.662 14.300 169 3HD2 LEU 22 3HD2 LEU 22 -3.998 -0.501 12.693 170 H GLY 23 H GLY 23 -1.822 -1.012 17.132 171 1HA GLY 23 1HA GLY 23 -1.573 -3.270 15.713 172 2HA GLY 23 2HA GLY 23 -2.608 -3.803 17.023 173 H LYS 24 H LYS 24 0.054 -1.341 17.044 174 HA LYS 24 HA LYS 24 1.590 -3.149 18.751 175 1HB LYS 24 1HB LYS 24 2.270 -1.418 16.596 176 2HB LYS 24 2HB LYS 24 3.010 -0.756 18.040 177 1HG LYS 24 1HG LYS 24 4.654 -2.299 17.669 178 2HG LYS 24 2HG LYS 24 3.536 -3.442 18.387 179 1HD LYS 24 1HD LYS 24 3.103 -4.474 16.386 180 2HD LYS 24 2HD LYS 24 3.015 -2.960 15.509 181 1HE LYS 24 1HE LYS 24 5.586 -2.839 15.705 182 2HE LYS 24 2HE LYS 24 5.536 -4.488 16.295 183 H VAL 25 H VAL 25 -0.842 -1.828 19.716 184 HA VAL 25 HA VAL 25 0.309 0.179 21.513 185 HB VAL 25 HB VAL 25 -2.225 0.498 21.991 186 1HG1 VAL 25 1HG1 VAL 25 -0.388 1.704 20.256 187 2HG1 VAL 25 2HG1 VAL 25 -1.867 1.503 19.285 188 3HG1 VAL 25 3HG1 VAL 25 -1.929 2.385 20.830 189 1HG2 VAL 25 1HG2 VAL 25 -2.658 -1.651 20.527 190 2HG2 VAL 25 2HG2 VAL 25 -3.786 -0.275 20.476 191 3HG2 VAL 25 3HG2 VAL 25 -2.586 -0.491 19.179 192 H ALA 26 H ALA 26 -2.665 -1.328 22.474 193 HA ALA 26 HA ALA 26 -1.288 -2.516 24.726 194 1HB ALA 26 1HB ALA 26 -3.765 -2.952 25.381 195 2HB ALA 26 2HB ALA 26 -3.191 -1.267 25.341 196 3HB ALA 26 3HB ALA 26 -4.162 -1.909 23.994 No H/Q in entry = 196 Start of MODEL 13 1 H MET 1 H MET 1 3.503 -19.234 -8.791 2 HA MET 1 HA MET 1 1.914 -21.471 -7.827 3 1HB MET 1 1HB MET 1 4.541 -21.195 -9.358 4 2HB MET 1 2HB MET 1 4.136 -22.710 -8.575 5 1HG MET 1 1HG MET 1 1.790 -22.313 -9.871 6 2HG MET 1 2HG MET 1 2.823 -21.382 -10.938 7 1HE MET 1 1HE MET 1 4.576 -22.078 -12.250 8 2HE MET 1 2HE MET 1 4.869 -23.735 -12.831 9 3HE MET 1 3HE MET 1 3.329 -22.921 -13.199 10 H VAL 2 H VAL 2 3.542 -19.036 -6.447 11 HA VAL 2 HA VAL 2 4.862 -20.786 -4.488 12 HB VAL 2 HB VAL 2 6.094 -18.536 -3.992 13 1HG1 VAL 2 1HG1 VAL 2 7.029 -20.721 -4.892 14 2HG1 VAL 2 2HG1 VAL 2 6.843 -20.026 -6.521 15 3HG1 VAL 2 3HG1 VAL 2 7.920 -19.246 -5.339 16 1HG2 VAL 2 1HG2 VAL 2 4.731 -17.167 -5.529 17 2HG2 VAL 2 2HG2 VAL 2 6.458 -17.138 -5.963 18 3HG2 VAL 2 3HG2 VAL 2 5.321 -18.135 -6.902 19 H ALA 3 H ALA 3 3.634 -20.996 -2.693 20 HA ALA 3 HA ALA 3 1.588 -19.073 -2.129 21 1HB ALA 3 1HB ALA 3 2.576 -21.646 -0.875 22 2HB ALA 3 2HB ALA 3 1.022 -21.320 -1.679 23 3HB ALA 3 3HB ALA 3 1.354 -20.633 -0.071 24 H ALA 4 H ALA 4 3.649 -17.444 -2.172 25 HA ALA 4 HA ALA 4 3.782 -16.359 0.364 26 1HB ALA 4 1HB ALA 4 5.417 -18.608 0.238 27 2HB ALA 4 2HB ALA 4 6.542 -17.264 -0.073 28 3HB ALA 4 3HB ALA 4 5.559 -17.278 1.411 29 H ALA 5 H ALA 5 3.121 -15.202 -1.935 30 HA ALA 5 HA ALA 5 4.893 -13.100 -2.199 31 1HB ALA 5 1HB ALA 5 5.963 -15.303 -3.467 32 2HB ALA 5 2HB ALA 5 5.092 -14.498 -4.794 33 3HB ALA 5 3HB ALA 5 6.331 -13.610 -3.875 34 H MET 6 H MET 6 2.718 -15.245 -4.165 35 HA MET 6 HA MET 6 1.597 -13.242 -5.658 36 1HB MET 6 1HB MET 6 0.951 -16.039 -4.845 37 2HB MET 6 2HB MET 6 -0.467 -15.102 -5.274 38 1HG MET 6 1HG MET 6 0.241 -14.780 -7.500 39 2HG MET 6 2HG MET 6 1.936 -14.975 -7.104 40 1HE MET 6 1HE MET 6 0.252 -15.914 -9.314 41 2HE MET 6 2HE MET 6 0.787 -17.577 -9.654 42 3HE MET 6 3HE MET 6 -0.842 -17.283 -8.999 43 H LEU 7 H LEU 7 0.425 -14.682 -2.534 44 HA LEU 7 HA LEU 7 -1.829 -13.047 -2.327 45 1HB LEU 7 1HB LEU 7 -0.188 -14.557 -0.298 46 2HB LEU 7 2HB LEU 7 -1.643 -13.677 0.125 47 HG LEU 7 HG LEU 7 -2.328 -15.325 -2.077 48 1HD1 LEU 7 1HD1 LEU 7 -0.297 -16.554 -0.328 49 2HD1 LEU 7 2HD1 LEU 7 -1.769 -17.524 -0.573 50 3HD1 LEU 7 3HD1 LEU 7 -0.816 -16.982 -1.976 51 1HD2 LEU 7 1HD2 LEU 7 -3.691 -14.525 -0.083 52 2HD2 LEU 7 2HD2 LEU 7 -3.959 -16.201 -0.619 53 3HD2 LEU 7 3HD2 LEU 7 -2.968 -15.876 0.823 54 H LEU 8 H LEU 8 1.503 -12.722 -0.931 55 HA LEU 8 HA LEU 8 0.809 -9.969 -0.230 56 1HB LEU 8 1HB LEU 8 2.520 -10.026 1.345 57 2HB LEU 8 2HB LEU 8 1.709 -11.574 1.484 58 HG LEU 8 HG LEU 8 3.901 -11.805 -0.378 59 1HD1 LEU 8 1HD1 LEU 8 4.771 -9.839 0.901 60 2HD1 LEU 8 2HD1 LEU 8 4.735 -10.845 2.370 61 3HD1 LEU 8 3HD1 LEU 8 5.785 -11.298 1.006 62 1HD2 LEU 8 1HD2 LEU 8 2.844 -13.669 0.799 63 2HD2 LEU 8 2HD2 LEU 8 4.590 -13.596 1.137 64 3HD2 LEU 8 3HD2 LEU 8 3.424 -13.027 2.355 65 H ARG 9 H ARG 9 0.898 -10.185 -2.908 66 HA ARG 9 HA ARG 9 3.446 -10.062 -3.997 67 1HB ARG 9 1HB ARG 9 2.266 -9.095 -6.001 68 2HB ARG 9 2HB ARG 9 1.473 -10.530 -5.383 69 1HG ARG 9 1HG ARG 9 0.257 -8.479 -3.918 70 2HG ARG 9 2HG ARG 9 0.493 -7.740 -5.490 71 1HD ARG 9 1HD ARG 9 -0.467 -10.458 -5.866 72 2HD ARG 9 2HD ARG 9 -1.517 -9.639 -4.728 73 HE ARG 9 HE ARG 9 -1.099 -8.923 -7.564 74 1HH1 ARG 9 1HH1 ARG 9 -2.543 -7.395 -8.460 75 2HH1 ARG 9 2HH1 ARG 9 -3.594 -6.486 -7.426 76 1HH2 ARG 9 1HH2 ARG 9 -2.440 -7.979 -4.451 77 2HH2 ARG 9 2HH2 ARG 9 -3.535 -6.821 -5.130 78 H SER 10 H SER 10 1.430 -7.730 -2.294 79 HA SER 10 HA SER 10 3.543 -5.789 -2.626 80 1HB SER 10 1HB SER 10 1.881 -3.956 -3.018 81 2HB SER 10 2HB SER 10 1.955 -5.105 -4.338 82 HG SER 10 HG SER 10 -0.244 -4.370 -3.311 83 H CYS 11 H CYS 11 0.228 -6.297 -1.196 84 HA CYS 11 HA CYS 11 1.376 -5.424 1.356 85 1HB CYS 11 1HB CYS 11 -1.215 -4.720 0.036 86 2HB CYS 11 2HB CYS 11 -1.211 -4.902 1.779 87 HG CYS 11 HG CYS 11 -0.636 -2.418 0.270 88 HA PRO 12 HA PRO 12 0.035 -9.318 2.775 89 1HB PRO 12 1HB PRO 12 -0.169 -8.884 5.466 90 2HB PRO 12 2HB PRO 12 1.357 -9.180 4.656 91 1HG PRO 12 1HG PRO 12 0.272 -6.633 5.692 92 2HG PRO 12 2HG PRO 12 1.927 -7.033 5.276 93 1HD PRO 12 1HD PRO 12 0.101 -5.457 3.724 94 2HD PRO 12 2HD PRO 12 1.715 -5.955 3.257 95 H VAL 13 H VAL 13 -1.749 -7.037 4.805 96 HA VAL 13 HA VAL 13 -4.158 -8.516 4.006 97 HB VAL 13 HB VAL 13 -3.443 -8.639 6.394 98 1HG1 VAL 13 1HG1 VAL 13 -2.647 -6.165 6.345 99 2HG1 VAL 13 2HG1 VAL 13 -4.349 -5.779 6.694 100 3HG1 VAL 13 3HG1 VAL 13 -3.417 -6.793 7.822 101 1HG2 VAL 13 1HG2 VAL 13 -5.815 -8.908 5.604 102 2HG2 VAL 13 2HG2 VAL 13 -5.653 -8.362 7.291 103 3HG2 VAL 13 3HG2 VAL 13 -6.086 -7.198 6.016 104 H LEU 14 H LEU 14 -2.509 -5.383 4.253 105 HA LEU 14 HA LEU 14 -4.144 -4.232 2.311 106 1HB LEU 14 1HB LEU 14 -5.683 -4.360 4.394 107 2HB LEU 14 2HB LEU 14 -4.716 -3.032 5.003 108 HG LEU 14 HG LEU 14 -5.305 -2.023 2.581 109 1HD1 LEU 14 1HD1 LEU 14 -7.577 -3.917 3.221 110 2HD1 LEU 14 2HD1 LEU 14 -7.725 -2.525 2.120 111 3HD1 LEU 14 3HD1 LEU 14 -6.590 -3.843 1.741 112 1HD2 LEU 14 1HD2 LEU 14 -6.410 -1.782 5.280 113 2HD2 LEU 14 2HD2 LEU 14 -5.938 -0.526 4.110 114 3HD2 LEU 14 3HD2 LEU 14 -7.547 -1.280 4.006 115 H SER 15 H SER 15 -2.330 -3.449 5.358 116 HA SER 15 HA SER 15 -0.129 -2.515 4.007 117 1HB SER 15 1HB SER 15 -1.185 -0.594 3.178 118 2HB SER 15 2HB SER 15 -2.238 -0.437 4.570 119 HG SER 15 HG SER 15 0.117 0.807 4.119 120 H GLN 16 H GLN 16 1.563 -2.282 5.505 121 HA GLN 16 HA GLN 16 2.602 -2.300 7.411 122 1HB GLN 16 1HB GLN 16 1.062 -0.178 7.723 123 2HB GLN 16 2HB GLN 16 0.216 -1.170 8.893 124 1HG GLN 16 1HG GLN 16 1.790 -0.410 10.368 125 2HG GLN 16 2HG GLN 16 2.823 -1.630 9.650 126 1HE2 GLN 16 2HE2 GLN 16 3.919 0.542 10.823 127 2HE2 GLN 16 1HE2 GLN 16 4.638 1.603 9.657 128 H GLY 17 H GLY 17 2.997 -3.802 9.084 129 1HA GLY 17 1HA GLY 17 2.669 -6.002 9.749 130 2HA GLY 17 2HA GLY 17 0.973 -5.901 9.320 131 HA PRO 18 HA PRO 18 0.015 -4.888 13.427 132 1HB PRO 18 1HB PRO 18 -0.667 -7.322 14.465 133 2HB PRO 18 2HB PRO 18 -1.748 -6.369 13.468 134 1HG PRO 18 1HG PRO 18 -0.218 -8.795 12.749 135 2HG PRO 18 2HG PRO 18 -1.599 -8.086 11.935 136 1HD PRO 18 1HD PRO 18 1.146 -7.922 11.118 137 2HD PRO 18 2HD PRO 18 -0.220 -7.118 10.370 138 H THR 19 H THR 19 1.572 -8.034 13.815 139 HA THR 19 HA THR 19 4.009 -7.266 14.675 140 HB THR 19 HB THR 19 1.874 -6.595 16.664 141 HG1 THR 19 HG1 THR 19 4.676 -5.968 16.055 142 1HG2 THR 19 1HG2 THR 19 4.294 -8.268 17.321 143 2HG2 THR 19 2HG2 THR 19 3.968 -6.866 18.368 144 3HG2 THR 19 3HG2 THR 19 2.743 -8.143 18.184 145 H GLY 20 H GLY 20 1.729 -9.080 16.793 146 1HA GLY 20 1HA GLY 20 2.487 -11.602 15.604 147 2HA GLY 20 2HA GLY 20 1.401 -11.332 16.952 148 H LEU 21 H LEU 21 4.869 -10.388 16.393 149 HA LEU 21 HA LEU 21 6.108 -12.273 17.878 150 1HB LEU 21 1HB LEU 21 6.654 -9.461 17.148 151 2HB LEU 21 2HB LEU 21 7.591 -10.091 18.488 152 HG LEU 21 HG LEU 21 8.455 -11.897 17.105 153 1HD1 LEU 21 1HD1 LEU 21 6.366 -10.958 15.210 154 2HD1 LEU 21 2HD1 LEU 21 7.908 -11.509 14.513 155 3HD1 LEU 21 3HD1 LEU 21 6.961 -12.600 15.552 156 1HD2 LEU 21 1HD2 LEU 21 9.630 -9.733 17.136 157 2HD2 LEU 21 2HD2 LEU 21 9.847 -10.601 15.597 158 3HD2 LEU 21 3HD2 LEU 21 8.719 -9.228 15.693 159 H LEU 22 H LEU 22 5.229 -9.014 19.235 160 HA LEU 22 HA LEU 22 4.549 -8.411 21.248 161 1HB LEU 22 1HB LEU 22 3.530 -11.175 21.057 162 2HB LEU 22 2HB LEU 22 3.666 -10.537 22.683 163 HG LEU 22 HG LEU 22 2.433 -8.470 21.288 164 1HD1 LEU 22 1HD1 LEU 22 2.180 -10.496 19.540 165 2HD1 LEU 22 2HD1 LEU 22 0.748 -10.800 20.552 166 3HD1 LEU 22 3HD1 LEU 22 0.954 -9.223 19.752 167 1HD2 LEU 22 1HD2 LEU 22 1.576 -10.569 23.232 168 2HD2 LEU 22 2HD2 LEU 22 1.651 -8.799 23.408 169 3HD2 LEU 22 3HD2 LEU 22 0.328 -9.547 22.480 170 H GLY 23 H GLY 23 5.323 -11.564 22.661 171 1HA GLY 23 1HA GLY 23 7.070 -12.278 23.899 172 2HA GLY 23 2HA GLY 23 6.976 -10.684 24.623 173 H LYS 24 H LYS 24 7.705 -10.989 21.166 174 HA LYS 24 HA LYS 24 10.557 -10.764 21.685 175 1HB LYS 24 1HB LYS 24 8.976 -11.981 19.675 176 2HB LYS 24 2HB LYS 24 9.832 -10.667 18.894 177 1HG LYS 24 1HG LYS 24 11.581 -12.132 18.781 178 2HG LYS 24 2HG LYS 24 11.843 -11.717 20.463 179 1HD LYS 24 1HD LYS 24 10.466 -13.634 21.196 180 2HD LYS 24 2HD LYS 24 10.051 -14.012 19.536 181 1HE LYS 24 1HE LYS 24 12.947 -13.840 19.783 182 2HE LYS 24 2HE LYS 24 12.326 -14.918 21.018 183 H VAL 25 H VAL 25 7.746 -8.902 20.497 184 HA VAL 25 HA VAL 25 9.529 -6.571 20.316 185 HB VAL 25 HB VAL 25 6.983 -7.219 18.819 186 1HG1 VAL 25 1HG1 VAL 25 8.019 -4.678 19.522 187 2HG1 VAL 25 2HG1 VAL 25 8.389 -4.922 17.798 188 3HG1 VAL 25 3HG1 VAL 25 6.710 -5.051 18.374 189 1HG2 VAL 25 1HG2 VAL 25 9.518 -8.089 18.273 190 2HG2 VAL 25 2HG2 VAL 25 8.243 -7.844 17.056 191 3HG2 VAL 25 3HG2 VAL 25 9.457 -6.574 17.341 192 H ALA 26 H ALA 26 6.112 -6.040 20.086 193 HA ALA 26 HA ALA 26 5.979 -4.308 22.188 194 1HB ALA 26 1HB ALA 26 4.280 -5.277 20.231 195 2HB ALA 26 2HB ALA 26 3.502 -5.841 21.730 196 3HB ALA 26 3HB ALA 26 3.833 -4.107 21.496 No H/Q in entry = 196 Start of MODEL 14 1 H MET 1 H MET 1 9.317 -19.247 -4.394 2 HA MET 1 HA MET 1 9.393 -19.954 -1.756 3 1HB MET 1 1HB MET 1 8.837 -17.209 -1.973 4 2HB MET 1 2HB MET 1 7.232 -17.904 -1.857 5 1HG MET 1 1HG MET 1 7.733 -17.651 0.411 6 2HG MET 1 2HG MET 1 8.290 -19.293 0.158 7 1HE MET 1 1HE MET 1 9.641 -19.027 2.316 8 2HE MET 1 2HE MET 1 11.015 -17.921 2.551 9 3HE MET 1 3HE MET 1 9.352 -17.287 2.554 10 H VAL 2 H VAL 2 7.062 -20.651 -0.955 11 HA VAL 2 HA VAL 2 5.611 -21.570 -3.340 12 HB VAL 2 HB VAL 2 4.853 -23.404 -1.740 13 1HG1 VAL 2 1HG1 VAL 2 6.798 -23.355 -3.571 14 2HG1 VAL 2 2HG1 VAL 2 7.802 -23.664 -2.134 15 3HG1 VAL 2 3HG1 VAL 2 6.484 -24.783 -2.557 16 1HG2 VAL 2 1HG2 VAL 2 6.071 -21.905 0.187 17 2HG2 VAL 2 2HG2 VAL 2 5.729 -23.646 0.327 18 3HG2 VAL 2 3HG2 VAL 2 7.344 -23.095 -0.178 19 H ALA 3 H ALA 3 3.803 -20.379 -3.652 20 HA ALA 3 HA ALA 3 2.066 -19.057 -3.206 21 1HB ALA 3 1HB ALA 3 0.688 -20.819 -2.788 22 2HB ALA 3 2HB ALA 3 1.801 -21.537 -1.599 23 3HB ALA 3 3HB ALA 3 0.722 -20.206 -1.117 24 H ALA 4 H ALA 4 4.106 -17.647 -2.364 25 HA ALA 4 HA ALA 4 3.218 -16.631 0.234 26 1HB ALA 4 1HB ALA 4 5.713 -17.973 -0.334 27 2HB ALA 4 2HB ALA 4 6.033 -16.268 0.064 28 3HB ALA 4 3HB ALA 4 5.131 -17.294 1.205 29 H ALA 5 H ALA 5 5.209 -16.141 -2.751 30 HA ALA 5 HA ALA 5 4.904 -13.267 -2.443 31 1HB ALA 5 1HB ALA 5 7.097 -14.322 -3.046 32 2HB ALA 5 2HB ALA 5 6.363 -14.893 -4.563 33 3HB ALA 5 3HB ALA 5 6.524 -13.148 -4.254 34 H MET 6 H MET 6 2.447 -14.646 -2.763 35 HA MET 6 HA MET 6 1.780 -13.765 -5.463 36 1HB MET 6 1HB MET 6 1.649 -16.411 -4.426 37 2HB MET 6 2HB MET 6 -0.008 -15.844 -4.358 38 1HG MET 6 1HG MET 6 0.339 -16.878 -6.537 39 2HG MET 6 2HG MET 6 0.167 -15.152 -6.786 40 1HE MET 6 1HE MET 6 1.197 -17.548 -8.291 41 2HE MET 6 2HE MET 6 2.365 -16.722 -9.351 42 3HE MET 6 3HE MET 6 2.930 -17.940 -8.182 43 H LEU 7 H LEU 7 0.695 -14.359 -2.075 44 HA LEU 7 HA LEU 7 -1.482 -12.449 -2.554 45 1HB LEU 7 1HB LEU 7 -1.197 -14.632 -0.485 46 2HB LEU 7 2HB LEU 7 -2.498 -13.459 -0.524 47 HG LEU 7 HG LEU 7 -2.497 -14.568 -3.094 48 1HD1 LEU 7 1HD1 LEU 7 -1.682 -16.587 -1.040 49 2HD1 LEU 7 2HD1 LEU 7 -2.831 -17.061 -2.314 50 3HD1 LEU 7 3HD1 LEU 7 -1.222 -16.441 -2.754 51 1HD2 LEU 7 1HD2 LEU 7 -4.210 -14.766 -0.650 52 2HD2 LEU 7 2HD2 LEU 7 -4.561 -14.058 -2.245 53 3HD2 LEU 7 3HD2 LEU 7 -4.561 -15.826 -2.037 54 H LEU 8 H LEU 8 1.427 -11.850 -2.116 55 HA LEU 8 HA LEU 8 1.361 -10.725 0.570 56 1HB LEU 8 1HB LEU 8 3.645 -10.613 0.479 57 2HB LEU 8 2HB LEU 8 3.303 -12.067 -0.437 58 HG LEU 8 HG LEU 8 3.901 -9.357 -1.655 59 1HD1 LEU 8 1HD1 LEU 8 5.649 -11.561 -0.745 60 2HD1 LEU 8 2HD1 LEU 8 5.991 -10.921 -2.371 61 3HD1 LEU 8 3HD1 LEU 8 5.991 -9.828 -0.966 62 1HD2 LEU 8 1HD2 LEU 8 3.272 -12.051 -2.827 63 2HD2 LEU 8 2HD2 LEU 8 2.645 -10.445 -3.268 64 3HD2 LEU 8 3HD2 LEU 8 4.310 -10.901 -3.704 65 H ARG 9 H ARG 9 -0.322 -9.821 -1.833 66 HA ARG 9 HA ARG 9 0.830 -7.218 -2.266 67 1HB ARG 9 1HB ARG 9 -1.612 -8.644 -3.419 68 2HB ARG 9 2HB ARG 9 -1.252 -6.969 -3.787 69 1HG ARG 9 1HG ARG 9 0.919 -9.047 -4.154 70 2HG ARG 9 2HG ARG 9 -0.350 -8.927 -5.356 71 1HD ARG 9 1HD ARG 9 0.187 -6.346 -5.341 72 2HD ARG 9 2HD ARG 9 1.680 -6.814 -4.551 73 HE ARG 9 HE ARG 9 1.675 -8.514 -6.682 74 1HH1 ARG 9 1HH1 ARG 9 2.440 -8.089 -8.793 75 2HH1 ARG 9 2HH1 ARG 9 2.432 -6.469 -9.406 76 1HH2 ARG 9 1HH2 ARG 9 1.066 -5.054 -6.484 77 2HH2 ARG 9 2HH2 ARG 9 1.645 -4.731 -8.084 78 H SER 10 H SER 10 0.049 -7.766 0.436 79 HA SER 10 HA SER 10 -0.992 -6.802 2.082 80 1HB SER 10 1HB SER 10 -0.727 -4.695 0.673 81 2HB SER 10 2HB SER 10 -2.355 -4.952 0.079 82 HG SER 10 HG SER 10 -2.798 -5.089 2.599 83 H CYS 11 H CYS 11 -2.051 -9.141 1.542 84 HA CYS 11 HA CYS 11 -3.844 -10.425 1.379 85 1HB CYS 11 1HB CYS 11 -4.627 -8.238 3.267 86 2HB CYS 11 2HB CYS 11 -5.864 -9.380 2.779 87 HG CYS 11 HG CYS 11 -4.552 -9.905 5.139 88 HA PRO 12 HA PRO 12 -5.763 -8.150 -2.027 89 1HB PRO 12 1HB PRO 12 -5.362 -10.035 -3.965 90 2HB PRO 12 2HB PRO 12 -4.248 -8.716 -3.665 91 1HG PRO 12 1HG PRO 12 -3.973 -11.572 -2.954 92 2HG PRO 12 2HG PRO 12 -2.730 -10.341 -3.053 93 1HD PRO 12 1HD PRO 12 -3.914 -11.395 -0.663 94 2HD PRO 12 2HD PRO 12 -2.756 -10.084 -0.769 95 H VAL 13 H VAL 13 -6.073 -11.632 -1.538 96 HA VAL 13 HA VAL 13 -8.506 -12.031 -2.631 97 HB VAL 13 HB VAL 13 -7.113 -13.762 -1.665 98 1HG1 VAL 13 1HG1 VAL 13 -7.390 -12.139 0.752 99 2HG1 VAL 13 2HG1 VAL 13 -7.717 -13.864 1.044 100 3HG1 VAL 13 3HG1 VAL 13 -6.168 -13.361 0.327 101 1HG2 VAL 13 1HG2 VAL 13 -9.750 -13.863 -1.834 102 2HG2 VAL 13 2HG2 VAL 13 -8.826 -15.188 -1.086 103 3HG2 VAL 13 3HG2 VAL 13 -9.637 -13.980 -0.061 104 H LEU 14 H LEU 14 -7.712 -10.178 0.283 105 HA LEU 14 HA LEU 14 -8.933 -8.907 1.610 106 1HB LEU 14 1HB LEU 14 -9.655 -7.743 -0.300 107 2HB LEU 14 2HB LEU 14 -10.754 -9.021 -0.780 108 HG LEU 14 HG LEU 14 -11.822 -8.372 1.630 109 1HD1 LEU 14 1HD1 LEU 14 -10.012 -6.225 1.027 110 2HD1 LEU 14 2HD1 LEU 14 -11.688 -5.627 0.974 111 3HD1 LEU 14 3HD1 LEU 14 -11.081 -6.444 2.434 112 1HD2 LEU 14 1HD2 LEU 14 -12.669 -8.389 -0.914 113 2HD2 LEU 14 2HD2 LEU 14 -13.624 -7.712 0.427 114 3HD2 LEU 14 3HD2 LEU 14 -12.675 -6.633 -0.623 115 H SER 15 H SER 15 -8.901 -10.790 3.076 116 HA SER 15 HA SER 15 -11.629 -11.720 3.464 117 1HB SER 15 1HB SER 15 -9.892 -13.437 2.433 118 2HB SER 15 2HB SER 15 -9.288 -13.536 4.075 119 HG SER 15 HG SER 15 -10.880 -14.909 4.442 120 H GLN 16 H GLN 16 -11.670 -9.907 5.040 121 HA GLN 16 HA GLN 16 -9.893 -10.263 7.291 122 1HB GLN 16 1HB GLN 16 -10.279 -7.987 6.259 123 2HB GLN 16 2HB GLN 16 -11.950 -8.071 6.779 124 1HG GLN 16 1HG GLN 16 -10.188 -8.714 9.015 125 2HG GLN 16 2HG GLN 16 -9.706 -7.188 8.299 126 1HE2 GLN 16 2HE2 GLN 16 -10.583 -7.038 10.760 127 2HE2 GLN 16 1HE2 GLN 16 -12.181 -6.381 10.883 128 H GLY 17 H GLY 17 -10.628 -10.696 9.431 129 1HA GLY 17 1HA GLY 17 -13.475 -11.064 9.888 130 2HA GLY 17 2HA GLY 17 -12.177 -11.163 11.061 131 HA PRO 18 HA PRO 18 -12.380 -15.481 10.687 132 1HB PRO 18 1HB PRO 18 -14.459 -16.232 12.294 133 2HB PRO 18 2HB PRO 18 -12.882 -15.785 12.913 134 1HG PRO 18 1HG PRO 18 -15.396 -14.231 12.949 135 2HG PRO 18 2HG PRO 18 -13.950 -14.002 13.912 136 1HD PRO 18 1HD PRO 18 -14.765 -12.447 11.644 137 2HD PRO 18 2HD PRO 18 -13.264 -12.293 12.536 138 H THR 19 H THR 19 -15.847 -14.829 10.860 139 HA THR 19 HA THR 19 -16.502 -15.054 8.250 140 HB THR 19 HB THR 19 -15.498 -17.149 7.842 141 HG1 THR 19 HG1 THR 19 -17.821 -17.274 7.466 142 1HG2 THR 19 1HG2 THR 19 -16.064 -17.606 10.759 143 2HG2 THR 19 2HG2 THR 19 -16.160 -19.034 9.702 144 3HG2 THR 19 3HG2 THR 19 -14.651 -18.095 9.794 145 H GLY 20 H GLY 20 -17.215 -16.207 11.564 146 1HA GLY 20 1HA GLY 20 -19.418 -14.775 12.064 147 2HA GLY 20 2HA GLY 20 -19.196 -16.411 12.651 148 H LEU 21 H LEU 21 -19.381 -17.958 10.312 149 HA LEU 21 HA LEU 21 -22.117 -17.333 9.440 150 1HB LEU 21 1HB LEU 21 -19.728 -17.712 7.904 151 2HB LEU 21 2HB LEU 21 -20.838 -19.023 7.558 152 HG LEU 21 HG LEU 21 -22.442 -16.731 7.484 153 1HD1 LEU 21 1HD1 LEU 21 -19.679 -16.157 6.458 154 2HD1 LEU 21 2HD1 LEU 21 -21.100 -15.445 5.657 155 3HD1 LEU 21 3HD1 LEU 21 -20.792 -15.118 7.380 156 1HD2 LEU 21 1HD2 LEU 21 -21.302 -18.654 5.508 157 2HD2 LEU 21 2HD2 LEU 21 -22.994 -18.319 5.944 158 3HD2 LEU 21 3HD2 LEU 21 -22.106 -17.191 4.891 159 H LEU 22 H LEU 22 -19.706 -20.041 9.746 160 HA LEU 22 HA LEU 22 -21.461 -22.118 9.728 161 1HB LEU 22 1HB LEU 22 -18.747 -21.610 10.609 162 2HB LEU 22 2HB LEU 22 -19.535 -22.790 11.638 163 HG LEU 22 HG LEU 22 -19.717 -23.124 8.664 164 1HD1 LEU 22 1HD1 LEU 22 -17.224 -23.055 10.159 165 2HD1 LEU 22 2HD1 LEU 22 -17.507 -24.644 9.407 166 3HD1 LEU 22 3HD1 LEU 22 -17.508 -23.172 8.406 167 1HD2 LEU 22 1HD2 LEU 22 -19.778 -24.924 11.079 168 2HD2 LEU 22 2HD2 LEU 22 -21.002 -24.701 9.806 169 3HD2 LEU 22 3HD2 LEU 22 -19.488 -25.566 9.445 170 H GLY 23 H GLY 23 -21.036 -19.628 12.173 171 1HA GLY 23 1HA GLY 23 -22.153 -19.198 14.074 172 2HA GLY 23 2HA GLY 23 -21.979 -20.901 14.448 173 H LYS 24 H LYS 24 -23.716 -19.658 11.566 174 HA LYS 24 HA LYS 24 -26.036 -21.136 12.327 175 1HB LYS 24 1HB LYS 24 -26.031 -18.798 13.578 176 2HB LYS 24 2HB LYS 24 -26.583 -18.206 12.024 177 1HG LYS 24 1HG LYS 24 -28.333 -20.132 12.096 178 2HG LYS 24 2HG LYS 24 -27.898 -20.315 13.784 179 1HD LYS 24 1HD LYS 24 -28.771 -17.647 12.586 180 2HD LYS 24 2HD LYS 24 -29.902 -18.781 13.298 181 1HE LYS 24 1HE LYS 24 -29.450 -17.527 15.192 182 2HE LYS 24 2HE LYS 24 -28.153 -18.694 15.348 183 H VAL 25 H VAL 25 -25.331 -22.156 10.323 184 HA VAL 25 HA VAL 25 -25.746 -20.467 7.965 185 HB VAL 25 HB VAL 25 -24.717 -22.585 6.867 186 1HG1 VAL 25 1HG1 VAL 25 -23.718 -20.205 7.376 187 2HG1 VAL 25 2HG1 VAL 25 -22.751 -21.092 8.579 188 3HG1 VAL 25 3HG1 VAL 25 -22.657 -21.537 6.858 189 1HG2 VAL 25 1HG2 VAL 25 -24.924 -23.749 9.237 190 2HG2 VAL 25 2HG2 VAL 25 -23.556 -24.100 8.152 191 3HG2 VAL 25 3HG2 VAL 25 -23.349 -22.964 9.507 192 H ALA 26 H ALA 26 -25.968 -23.904 7.544 193 HA ALA 26 HA ALA 26 -28.574 -23.720 6.525 194 1HB ALA 26 1HB ALA 26 -28.022 -25.748 5.715 195 2HB ALA 26 2HB ALA 26 -27.758 -26.403 7.348 196 3HB ALA 26 3HB ALA 26 -26.444 -25.541 6.513 No H/Q in entry = 196 Start of MODEL 15 1 H MET 1 H MET 1 8.738 -19.662 1.480 2 HA MET 1 HA MET 1 8.165 -18.118 -0.788 3 1HB MET 1 1HB MET 1 10.081 -20.197 0.091 4 2HB MET 1 2HB MET 1 9.666 -20.383 -1.602 5 1HG MET 1 1HG MET 1 10.064 -17.703 -1.599 6 2HG MET 1 2HG MET 1 11.083 -18.105 -0.231 7 1HE MET 1 1HE MET 1 12.936 -17.407 -0.904 8 2HE MET 1 2HE MET 1 14.047 -18.751 -1.266 9 3HE MET 1 3HE MET 1 13.694 -17.528 -2.510 10 H VAL 2 H VAL 2 6.223 -20.374 0.514 11 HA VAL 2 HA VAL 2 5.592 -21.674 -2.036 12 HB VAL 2 HB VAL 2 4.408 -23.307 -0.716 13 1HG1 VAL 2 1HG1 VAL 2 7.191 -22.895 -0.679 14 2HG1 VAL 2 2HG1 VAL 2 6.756 -23.377 0.978 15 3HG1 VAL 2 3HG1 VAL 2 6.317 -24.419 -0.396 16 1HG2 VAL 2 1HG2 VAL 2 5.042 -21.472 1.605 17 2HG2 VAL 2 2HG2 VAL 2 3.458 -22.085 1.070 18 3HG2 VAL 2 3HG2 VAL 2 4.629 -23.188 1.832 19 H ALA 3 H ALA 3 4.143 -20.523 -3.212 20 HA ALA 3 HA ALA 3 2.506 -19.065 -3.660 21 1HB ALA 3 1HB ALA 3 1.304 -21.173 -3.467 22 2HB ALA 3 2HB ALA 3 0.290 -19.868 -2.808 23 3HB ALA 3 3HB ALA 3 1.153 -20.967 -1.706 24 H ALA 4 H ALA 4 4.096 -17.596 -2.196 25 HA ALA 4 HA ALA 4 2.324 -16.369 -0.199 26 1HB ALA 4 1HB ALA 4 5.285 -17.004 -0.058 27 2HB ALA 4 2HB ALA 4 4.001 -17.426 1.100 28 3HB ALA 4 3HB ALA 4 4.547 -15.738 0.953 29 H ALA 5 H ALA 5 5.243 -15.904 -2.314 30 HA ALA 5 HA ALA 5 5.421 -13.222 -2.335 31 1HB ALA 5 1HB ALA 5 5.806 -15.350 -4.431 32 2HB ALA 5 2HB ALA 5 7.017 -14.343 -3.602 33 3HB ALA 5 3HB ALA 5 5.999 -13.639 -4.881 34 H MET 6 H MET 6 2.880 -15.237 -3.821 35 HA MET 6 HA MET 6 1.797 -13.017 -5.245 36 1HB MET 6 1HB MET 6 1.706 -15.674 -5.679 37 2HB MET 6 2HB MET 6 0.286 -15.587 -4.655 38 1HG MET 6 1HG MET 6 -0.905 -14.225 -6.184 39 2HG MET 6 2HG MET 6 0.553 -13.632 -6.954 40 1HE MET 6 1HE MET 6 -1.343 -14.108 -8.784 41 2HE MET 6 2HE MET 6 -1.391 -15.634 -9.697 42 3HE MET 6 3HE MET 6 -2.346 -15.460 -8.206 43 H LEU 7 H LEU 7 1.005 -14.923 -2.281 44 HA LEU 7 HA LEU 7 -1.431 -13.700 -1.736 45 1HB LEU 7 1HB LEU 7 -0.181 -15.776 -0.731 46 2HB LEU 7 2HB LEU 7 0.417 -14.611 0.433 47 HG LEU 7 HG LEU 7 -2.474 -14.401 0.074 48 1HD1 LEU 7 1HD1 LEU 7 -1.306 -17.077 0.856 49 2HD1 LEU 7 2HD1 LEU 7 -2.940 -16.554 1.328 50 3HD1 LEU 7 3HD1 LEU 7 -2.521 -16.718 -0.394 51 1HD2 LEU 7 1HD2 LEU 7 -0.475 -14.505 2.280 52 2HD2 LEU 7 2HD2 LEU 7 -1.793 -13.349 1.970 53 3HD2 LEU 7 3HD2 LEU 7 -2.156 -14.947 2.665 54 H LEU 8 H LEU 8 1.792 -12.439 -1.710 55 HA LEU 8 HA LEU 8 0.885 -10.197 -0.044 56 1HB LEU 8 1HB LEU 8 3.110 -9.821 0.600 57 2HB LEU 8 2HB LEU 8 2.806 -11.535 0.802 58 HG LEU 8 HG LEU 8 3.861 -11.437 -1.743 59 1HD1 LEU 8 1HD1 LEU 8 4.513 -8.949 -0.567 60 2HD1 LEU 8 2HD1 LEU 8 5.999 -9.929 -0.564 61 3HD1 LEU 8 3HD1 LEU 8 5.121 -9.646 -2.087 62 1HD2 LEU 8 1HD2 LEU 8 5.035 -12.021 0.964 63 2HD2 LEU 8 2HD2 LEU 8 4.547 -13.145 -0.327 64 3HD2 LEU 8 3HD2 LEU 8 6.020 -12.163 -0.512 65 H ARG 9 H ARG 9 -0.248 -9.991 -2.404 66 HA ARG 9 HA ARG 9 1.276 -9.153 -4.513 67 1HB ARG 9 1HB ARG 9 -1.511 -8.139 -3.757 68 2HB ARG 9 2HB ARG 9 -0.816 -8.125 -5.366 69 1HG ARG 9 1HG ARG 9 -0.576 -10.694 -5.130 70 2HG ARG 9 2HG ARG 9 -1.587 -10.562 -3.705 71 1HD ARG 9 1HD ARG 9 -2.691 -9.113 -6.046 72 2HD ARG 9 2HD ARG 9 -2.511 -10.833 -6.327 73 HE ARG 9 HE ARG 9 -3.708 -10.326 -3.733 74 1HH1 ARG 9 1HH1 ARG 9 -5.924 -10.792 -3.427 75 2HH1 ARG 9 2HH1 ARG 9 -6.963 -10.996 -4.798 76 1HH2 ARG 9 1HH2 ARG 9 -4.425 -10.443 -7.176 77 2HH2 ARG 9 2HH2 ARG 9 -6.105 -10.796 -6.945 78 H SER 10 H SER 10 2.614 -7.387 -4.726 79 HA SER 10 HA SER 10 3.602 -5.498 -4.269 80 1HB SER 10 1HB SER 10 0.776 -4.377 -4.027 81 2HB SER 10 2HB SER 10 2.219 -3.472 -4.441 82 HG SER 10 HG SER 10 0.652 -5.202 -6.031 83 H CYS 11 H CYS 11 2.773 -7.245 -1.924 84 HA CYS 11 HA CYS 11 2.930 -7.214 0.263 85 1HB CYS 11 1HB CYS 11 4.118 -4.479 -0.243 86 2HB CYS 11 2HB CYS 11 3.944 -5.126 1.376 87 HG CYS 11 HG CYS 11 5.861 -6.509 1.383 88 HA PRO 12 HA PRO 12 -0.816 -5.405 1.557 89 1HB PRO 12 1HB PRO 12 -0.719 -5.805 4.259 90 2HB PRO 12 2HB PRO 12 -1.170 -7.059 3.121 91 1HG PRO 12 1HG PRO 12 1.366 -6.727 4.602 92 2HG PRO 12 2HG PRO 12 0.737 -8.157 3.809 93 1HD PRO 12 1HD PRO 12 2.808 -6.428 2.837 94 2HD PRO 12 2HD PRO 12 2.098 -7.790 1.993 95 H VAL 13 H VAL 13 1.842 -4.448 3.679 96 HA VAL 13 HA VAL 13 0.927 -1.697 3.302 97 HB VAL 13 HB VAL 13 1.452 -3.090 5.930 98 1HG1 VAL 13 1HG1 VAL 13 1.810 -0.271 5.175 99 2HG1 VAL 13 2HG1 VAL 13 0.727 -0.509 6.567 100 3HG1 VAL 13 3HG1 VAL 13 2.384 -1.159 6.607 101 1HG2 VAL 13 1HG2 VAL 13 -0.856 -3.148 4.777 102 2HG2 VAL 13 2HG2 VAL 13 -0.783 -2.629 6.478 103 3HG2 VAL 13 3HG2 VAL 13 -0.950 -1.418 5.184 104 H LEU 14 H LEU 14 3.367 -2.725 5.665 105 HA LEU 14 HA LEU 14 5.495 -2.273 3.742 106 1HB LEU 14 1HB LEU 14 4.690 -0.080 4.883 107 2HB LEU 14 2HB LEU 14 5.517 -0.702 6.297 108 HG LEU 14 HG LEU 14 7.553 -0.973 4.664 109 1HD1 LEU 14 1HD1 LEU 14 5.863 -0.199 2.756 110 2HD1 LEU 14 2HD1 LEU 14 6.432 1.408 3.268 111 3HD1 LEU 14 3HD1 LEU 14 7.600 0.186 2.709 112 1HD2 LEU 14 1HD2 LEU 14 6.997 0.731 6.636 113 2HD2 LEU 14 2HD2 LEU 14 8.451 0.885 5.620 114 3HD2 LEU 14 3HD2 LEU 14 7.022 1.892 5.287 115 H SER 15 H SER 15 5.140 -4.727 4.389 116 HA SER 15 HA SER 15 6.707 -5.179 6.806 117 1HB SER 15 1HB SER 15 4.575 -6.841 5.423 118 2HB SER 15 2HB SER 15 5.699 -7.578 6.547 119 HG SER 15 HG SER 15 3.965 -5.333 7.148 120 H GLN 16 H GLN 16 8.837 -5.504 6.255 121 HA GLN 16 HA GLN 16 9.303 -7.324 4.032 122 1HB GLN 16 1HB GLN 16 10.322 -4.544 4.407 123 2HB GLN 16 2HB GLN 16 11.519 -5.717 3.897 124 1HG GLN 16 1HG GLN 16 10.625 -5.893 1.802 125 2HG GLN 16 2HG GLN 16 8.987 -6.010 2.414 126 1HE2 GLN 16 2HE2 GLN 16 9.513 -4.612 0.151 127 2HE2 GLN 16 1HE2 GLN 16 9.297 -2.910 0.394 128 H GLY 17 H GLY 17 9.836 -9.120 5.288 129 1HA GLY 17 1HA GLY 17 12.354 -8.933 6.748 130 2HA GLY 17 2HA GLY 17 11.512 -10.386 6.248 131 HA PRO 18 HA PRO 18 9.894 -10.651 10.264 132 1HB PRO 18 1HB PRO 18 11.869 -11.833 11.738 133 2HB PRO 18 2HB PRO 18 10.826 -12.721 10.645 134 1HG PRO 18 1HG PRO 18 13.652 -11.935 10.281 135 2HG PRO 18 2HG PRO 18 12.734 -13.157 9.425 136 1HD PRO 18 1HD PRO 18 13.435 -10.549 8.459 137 2HD PRO 18 2HD PRO 18 12.420 -11.727 7.652 138 H THR 19 H THR 19 13.125 -9.279 10.320 139 HA THR 19 HA THR 19 14.033 -7.831 11.797 140 HB THR 19 HB THR 19 12.857 -5.632 11.613 141 HG1 THR 19 HG1 THR 19 10.672 -5.792 10.645 142 1HG2 THR 19 1HG2 THR 19 13.820 -7.009 9.465 143 2HG2 THR 19 2HG2 THR 19 12.104 -6.921 9.003 144 3HG2 THR 19 3HG2 THR 19 13.024 -5.426 9.299 145 H GLY 20 H GLY 20 13.826 -9.406 13.602 146 1HA GLY 20 1HA GLY 20 12.642 -10.119 15.527 147 2HA GLY 20 2HA GLY 20 11.755 -8.608 15.541 148 H LEU 21 H LEU 21 13.428 -6.561 15.521 149 HA LEU 21 HA LEU 21 15.287 -7.134 17.721 150 1HB LEU 21 1HB LEU 21 15.757 -5.866 15.111 151 2HB LEU 21 2HB LEU 21 16.356 -4.944 16.476 152 HG LEU 21 HG LEU 21 17.355 -7.344 17.152 153 1HD1 LEU 21 1HD1 LEU 21 16.267 -8.248 14.977 154 2HD1 LEU 21 2HD1 LEU 21 17.649 -7.474 14.163 155 3HD1 LEU 21 3HD1 LEU 21 17.929 -8.734 15.389 156 1HD2 LEU 21 1HD2 LEU 21 18.549 -5.169 16.842 157 2HD2 LEU 21 2HD2 LEU 21 19.473 -6.599 16.325 158 3HD2 LEU 21 3HD2 LEU 21 18.697 -5.555 15.111 159 H LEU 22 H LEU 22 13.890 -4.257 15.990 160 HA LEU 22 HA LEU 22 13.818 -2.527 18.035 161 1HB LEU 22 1HB LEU 22 13.080 -2.276 15.609 162 2HB LEU 22 2HB LEU 22 11.507 -2.849 16.129 163 HG LEU 22 HG LEU 22 12.782 -0.500 17.512 164 1HD1 LEU 22 1HD1 LEU 22 12.400 -0.508 14.768 165 2HD1 LEU 22 2HD1 LEU 22 10.923 0.261 15.398 166 3HD1 LEU 22 3HD1 LEU 22 12.520 0.924 15.819 167 1HD2 LEU 22 1HD2 LEU 22 10.127 -1.784 17.400 168 2HD2 LEU 22 2HD2 LEU 22 10.907 -0.851 18.699 169 3HD2 LEU 22 3HD2 LEU 22 10.116 -0.005 17.347 170 H GLY 23 H GLY 23 13.352 -3.005 20.130 171 1HA GLY 23 1HA GLY 23 10.965 -4.632 20.678 172 2HA GLY 23 2HA GLY 23 11.074 -3.020 21.356 173 H LYS 24 H LYS 24 13.565 -5.621 20.850 174 HA LYS 24 HA LYS 24 14.201 -5.346 23.701 175 1HB LYS 24 1HB LYS 24 13.124 -7.646 22.362 176 2HB LYS 24 2HB LYS 24 14.765 -8.008 22.858 177 1HG LYS 24 1HG LYS 24 14.302 -7.486 25.165 178 2HG LYS 24 2HG LYS 24 12.794 -6.688 24.765 179 1HD LYS 24 1HD LYS 24 12.094 -9.045 23.787 180 2HD LYS 24 2HD LYS 24 13.414 -9.658 24.763 181 1HE LYS 24 1HE LYS 24 12.386 -9.040 26.798 182 2HE LYS 24 2HE LYS 24 11.408 -7.793 26.049 183 H VAL 25 H VAL 25 15.522 -3.715 22.054 184 HA VAL 25 HA VAL 25 17.948 -5.156 21.264 185 HB VAL 25 HB VAL 25 18.385 -2.838 20.175 186 1HG1 VAL 25 1HG1 VAL 25 17.981 -4.931 18.946 187 2HG1 VAL 25 2HG1 VAL 25 16.225 -4.683 19.100 188 3HG1 VAL 25 3HG1 VAL 25 17.204 -3.543 18.146 189 1HG2 VAL 25 1HG2 VAL 25 16.262 -1.953 21.458 190 2HG2 VAL 25 2HG2 VAL 25 16.623 -1.390 19.808 191 3HG2 VAL 25 3HG2 VAL 25 15.390 -2.647 20.070 192 H ALA 26 H ALA 26 18.196 -1.730 21.755 193 HA ALA 26 HA ALA 26 18.809 -1.764 24.513 194 1HB ALA 26 1HB ALA 26 21.264 -1.444 24.296 195 2HB ALA 26 2HB ALA 26 20.751 -3.063 23.766 196 3HB ALA 26 3HB ALA 26 21.145 -1.815 22.559 No H/Q in entry = 196
Contact the webmaster for help, if required. Friday, July 5, 2024 12:37:04 AM GMT (wattos1)