NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
620641 | 2ndc | 26055 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -0.889 -0.066 -0.390 2 H2 GLY 1 HT2 GLY 1 -2.056 0.106 -1.609 3 H3 GLY 1 HT3 GLY 1 -0.672 1.087 -1.614 4 HA2 GLY 1 HA1 GLY 1 0.739 -0.803 -2.033 5 HA3 GLY 1 HA2 GLY 1 -0.662 -1.865 -1.940 6 H GLY 2 HN GLY 2 1.398 -0.627 -4.064 7 HA2 GLY 2 HA2 LY 2 -0.583 -0.672 -6.225 8 HA3 GLY 2 HA1 GLY 2 0.408 0.769 -6.059 9 H LEU 3 HN LEU 3 1.433 0.544 -8.013 10 HA LEU 3 HA LEU 3 2.503 -1.932 -8.923 11 HB2 LEU 3 HB2 LEU 3 3.020 0.881 -9.872 12 HB3 LEU 3 HB1 LEU 3 3.514 -0.570 -10.720 13 HG LEU 3 HG LEU 3 0.660 0.256 -10.173 14 HD11 LEU 3 HD11 LEU 3 1.698 1.680 -11.831 15 HD12 LEU 3 HD12 LEU 3 0.550 0.588 -12.605 16 HD13 LEU 3 HD13 LEU 3 2.281 0.269 -12.712 17 HD21 LEU 3 HD21 LEU 3 0.054 -1.605 -11.618 18 HD22 LEU 3 HD22 LEU 3 0.948 -2.172 -10.207 19 HD23 LEU 3 HD23 LEU 3 1.753 -2.054 -11.772 20 H ARG 4 HN ARG 4 4.187 1.083 -7.974 21 HA ARG 4 HA ARG 4 6.712 -0.303 -8.016 22 HB2 ARG 4 HB2 ARG 4 7.727 1.839 -7.436 23 HB3 ARG 4 HB1 ARG 4 6.616 2.017 -8.782 24 HG2 ARG 4 HG2 ARG 4 5.837 2.656 -5.953 25 HG3 ARG 4 HG1 ARG 4 6.600 3.833 -7.022 26 HD2 ARG 4 HD2 ARG 4 3.961 2.434 -7.428 27 HD3 ARG 4 HD1 ARG 4 4.222 4.149 -7.109 28 HE ARG 4 HE ARG 4 5.588 3.328 -9.469 29 HH11 ARG 4 HH11 ARG 4 2.414 4.148 -8.255 30 HH12 ARG 4 HH12 ARG 4 1.804 4.643 -9.805 31 HH21 ARG 4 HH21 ARG 4 4.813 3.965 -11.497 32 HH22 ARG 4 HH22 ARG 4 3.184 4.566 -11.659 33 H SER 5 HN SER 5 4.367 0.514 -5.639 34 HA SER 5 HA SER 5 6.132 0.236 -3.389 35 HB2 SER 5 HB2 SER 5 3.844 0.207 -2.157 36 HB3 SER 5 HB1 SER 5 4.358 1.693 -2.962 37 HG SER 5 HG SER 5 2.417 1.488 -3.806 38 H LEU 6 HN LEU 6 4.487 -1.859 -5.451 39 HA LEU 6 HA LEU 6 3.539 -3.976 -4.040 40 HB2 LEU 6 HB2 LEU 6 3.693 -3.702 -6.536 41 HB3 LEU 6 HB1 LEU 6 5.354 -4.248 -6.431 42 HG LEU 6 HG LEU 6 4.484 -6.390 -5.422 43 HD11 LEU 6 HD11 LEU 6 2.319 -5.596 -4.685 44 HD12 LEU 6 HD12 LEU 6 2.121 -6.921 -5.834 45 HD13 LEU 6 HD13 LEU 6 1.849 -5.254 -6.352 46 HD21 LEU 6 HD21 LEU 6 3.814 -7.320 -7.575 47 HD22 LEU 6 HD22 LEU 6 5.189 -6.231 -7.752 48 HD23 LEU 6 HD23 LEU 6 3.574 -5.693 -8.214 49 H GLY 7 HN GLY 7 6.970 -3.326 -4.717 50 HA2 GLY 7 HA2 GLY 7 7.970 -5.708 -3.558 51 HA3 GLY 7 HA1 GLY 7 8.892 -4.240 -3.849 52 H ARG 8 HN ARG 8 7.525 -2.442 -2.207 53 HA ARG 8 HA ARG 8 8.610 -3.175 0.330 54 HB2 ARG 8 HB2 ARG 8 6.939 -0.793 -0.471 55 HB3 ARG 8 HB1 ARG 8 7.690 -0.996 1.107 56 HG2 ARG 8 HG2 ARG 8 9.892 -1.210 -0.151 57 HG3 ARG 8 HG1 ARG 8 9.015 -0.601 -1.554 58 HD2 ARG 8 HD2 ARG 8 9.354 0.787 1.099 59 HD3 ARG 8 HD1 ARG 8 10.157 1.207 -0.412 60 HE ARG 8 HE ARG 8 7.338 1.658 0.262 61 HH11 ARG 8 HH11 ARG 8 9.942 1.955 -2.062 62 HH12 ARG 8 HH12 ARG 8 9.182 3.250 -2.938 63 HH21 ARG 8 HH21 ARG 8 6.349 3.348 -0.852 64 HH22 ARG 8 HH22 ARG 8 7.121 4.055 -2.245 65 H LYS 9 HN LYS 9 5.488 -3.414 -1.133 66 HA LYS 9 HA LYS 9 3.895 -3.836 1.130 67 HB2 LYS 9 HB2 LYS 9 2.955 -3.737 -1.128 68 HB3 LYS 9 HB1 LYS 9 3.783 -5.229 -1.554 69 HG2 LYS 9 HG2 LYS 9 2.458 -6.256 0.409 70 HG3 LYS 9 HG1 LYS 9 1.436 -4.826 0.257 71 HD2 LYS 9 HD2 LYS 9 0.524 -6.689 -1.029 72 HD3 LYS 9 HD1 LYS 9 1.028 -5.378 -2.099 73 HE2 LYS 9 HE2 LYS 9 3.066 -6.545 -2.638 74 HE3 LYS 9 HE1 LYS 9 2.691 -7.809 -1.468 75 HZ1 LYS 9 HZ1 LYS 9 0.856 -8.514 -2.779 76 HZ2 LYS 9 HZ2 LYS 9 2.204 -8.405 -3.804 77 HZ3 LYS 9 HZ3 LYS 9 1.015 -7.199 -3.833 78 H ILE 10 HN ILE 10 6.013 -5.994 -0.689 79 HA ILE 10 HA ILE 10 5.597 -8.271 0.992 80 HB ILE 10 HB ILE 10 7.809 -7.638 -0.970 81 HG12 ILE 10 HG12 ILE 10 5.590 -7.797 -2.004 82 HG13 ILE 10 HG11 ILE 10 6.606 -9.150 -2.483 83 HG21 ILE 10 HG21 ILE 10 8.607 -9.263 0.614 84 HG22 ILE 10 HG22 ILE 10 8.281 -10.065 -0.921 85 HG23 ILE 10 HG23 ILE 10 7.148 -10.228 0.417 86 HD11 ILE 10 HD11 ILE 10 5.461 -10.571 -0.856 87 HD12 ILE 10 HD12 ILE 10 4.349 -9.884 -2.038 88 HD13 ILE 10 HD13 ILE 10 4.428 -9.213 -0.411 89 H LEU 11 HN LEU 11 7.874 -5.624 0.816 90 HA LEU 11 HA LEU 11 9.840 -6.551 2.568 91 HB2 LEU 11 HB2 LEU 11 9.968 -4.578 1.017 92 HB3 LEU 11 HB1 LEU 11 8.988 -3.686 2.158 93 HG LEU 11 HG LEU 11 11.585 -4.889 3.050 94 HD11 LEU 11 HD11 LEU 11 11.241 -2.261 1.612 95 HD12 LEU 11 HD12 LEU 11 12.116 -3.671 1.018 96 HD13 LEU 11 HD13 LEU 11 12.710 -2.798 2.430 97 HD21 LEU 11 HD21 LEU 11 10.090 -2.392 3.862 98 HD22 LEU 11 HD22 LEU 11 11.559 -3.021 4.610 99 HD23 LEU 11 HD23 LEU 11 10.054 -3.931 4.722 100 H ARG 12 HN ARG 12 6.855 -4.706 3.225 101 HA ARG 12 HA ARG 12 7.375 -4.418 6.002 102 HB2 ARG 12 HB2 ARG 12 5.122 -3.664 6.238 103 HB3 ARG 12 HB1 ARG 12 5.737 -3.028 4.722 104 HG2 ARG 12 HG2 ARG 12 4.510 -4.740 3.491 105 HG3 ARG 12 HG1 ARG 12 3.922 -5.419 5.010 106 HD2 ARG 12 HD2 ARG 12 2.867 -3.222 5.508 107 HD3 ARG 12 HD1 ARG 12 3.343 -2.676 3.903 108 HE ARG 12 HE ARG 12 1.944 -4.747 3.191 109 HH11 ARG 12 HH11 ARG 12 1.236 -2.545 5.831 110 HH12 ARG 12 HH12 ARG 12 -0.486 -2.783 5.717 111 HH21 ARG 12 HH21 ARG 12 -0.335 -5.039 3.048 112 HH22 ARG 12 HH22 ARG 12 -1.362 -4.185 4.164 113 H ALA 13 HN ALA 13 6.206 -7.006 4.085 114 HA ALA 13 HA ALA 13 5.442 -9.105 4.505 115 HB1 ALA 13 HB1 ALA 13 7.749 -9.277 5.267 116 HB2 ALA 13 HB2 ALA 13 6.692 -10.305 6.234 117 HB3 ALA 13 HB3 ALA 13 7.269 -8.772 6.887 118 H TRP 14 HN TRP 14 3.424 -7.697 5.033 119 HA TRP 14 HA TRP 14 2.401 -7.661 7.627 120 HB2 TRP 14 HB2 TRP 14 0.243 -7.271 6.604 121 HB3 TRP 14 HB1 TRP 14 1.474 -6.357 5.756 122 HD1 TRP 14 HD1 TRP 14 -1.528 -7.585 4.834 123 HE1 TRP 14 HE1 TRP 14 -1.659 -8.663 2.507 124 HE3 TRP 14 HE3 TRP 14 3.459 -8.504 4.040 125 HZ2 TRP 14 HZ2 TRP 14 0.092 -9.753 0.610 126 HZ3 TRP 14 HZ3 TRP 14 4.118 -9.579 1.937 127 HH2 TRP 14 HH2 TRP 14 2.470 -10.185 0.254 128 H LYS 15 HN LYS 15 1.773 -10.031 5.036 129 HA LYS 15 HA LYS 15 1.402 -12.054 7.131 130 HB2 LYS 15 HB2 LYS 15 -0.147 -13.226 5.662 131 HB3 LYS 15 HB1 LYS 15 -0.707 -11.586 5.954 132 HG2 LYS 15 HG2 LYS 15 -1.016 -11.558 3.735 133 HG3 LYS 15 HG1 LYS 15 0.719 -11.237 3.679 134 HD2 LYS 15 HD2 LYS 15 0.331 -13.008 2.157 135 HD3 LYS 15 HD1 LYS 15 1.046 -13.747 3.594 136 HE2 LYS 15 HE2 LYS 15 -1.294 -14.229 4.369 137 HE3 LYS 15 HE1 LYS 15 -1.845 -13.717 2.775 138 HZ1 LYS 15 HZ1 LYS 15 -1.646 -16.045 2.703 139 HZ2 LYS 15 HZ2 LYS 15 -0.117 -16.033 3.439 140 HZ3 LYS 15 HZ3 LYS 15 -0.304 -15.446 1.856 141 H LYS 16 HN LYS 16 3.112 -11.039 4.394 142 HA LYS 16 HA LYS 16 4.914 -11.791 3.285 143 HB2 LYS 16 HB2 LYS 16 5.718 -12.142 5.627 144 HB3 LYS 16 HB1 LYS 16 5.189 -13.814 5.510 145 HG2 LYS 16 HG2 LYS 16 7.570 -13.659 5.128 146 HG3 LYS 16 HG1 LYS 16 6.753 -14.164 3.648 147 HD2 LYS 16 HD2 LYS 16 6.860 -11.867 2.804 148 HD3 LYS 16 HD1 LYS 16 7.667 -11.357 4.288 149 HE2 LYS 16 HE2 LYS 16 8.736 -13.403 2.346 150 HE3 LYS 16 HE1 LYS 16 9.223 -11.710 2.395 151 HZ1 LYS 16 HZ1 LYS 16 10.800 -13.087 3.564 152 HZ2 LYS 16 HZ2 LYS 16 9.589 -13.693 4.577 153 HZ3 LYS 16 HZ3 LYS 16 10.023 -12.055 4.661 154 H TYR 17 HN TYR 17 3.454 -12.503 1.617 155 HA TYR 17 HA TYR 17 3.088 -13.916 -0.109 156 HB2 TYR 17 HB2 TYR 17 5.081 -15.590 1.392 157 HB3 TYR 17 HB1 TYR 17 4.370 -16.112 -0.130 158 HD1 TYR 17 HD1 TYR 17 5.136 -15.257 -2.192 159 HD2 TYR 17 HD2 TYR 17 6.491 -13.527 1.445 160 HE1 TYR 17 HE1 TYR 17 6.860 -14.023 -3.429 161 HE2 TYR 17 HE2 TYR 17 8.221 -12.290 0.219 162 HH TYR 17 HH TYR 17 9.420 -12.363 -1.845 163 H GLY 18 HN GLY 18 3.409 -16.320 2.492 164 HA2 GLY 18 HA2 GLY 18 0.683 -17.218 1.852 165 HA3 GLY 18 HA1 GLY 18 2.022 -18.347 1.691 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 2.202 4.592 -1.944 2 H2 GLY 1 HT2 GLY 1 2.851 3.038 -1.769 3 H3 GLY 1 HT3 GLY 1 1.957 3.729 -0.506 4 HA2 GLY 1 HA1 GLY 1 0.653 2.077 -1.673 5 HA3 GLY 1 HA2 GLY 1 -0.040 3.685 -1.835 6 H GLY 2 HN GLY 2 0.776 0.935 -3.474 7 HA2 GLY 2 HA2 GLY 2 -0.104 1.199 -5.870 8 HA3 GLY 2 HA1 GLY 2 1.204 2.366 -6.015 9 H LEU 3 HN LEU 3 1.343 0.453 -7.808 10 HA LEU 3 HA LEU 3 2.669 -1.901 -6.895 11 HB2 LEU 3 HB2 LEU 3 3.103 -2.364 -9.274 12 HB3 LEU 3 HB1 LEU 3 1.422 -2.022 -8.930 13 HG LEU 3 HG LEU 3 2.029 0.393 -9.738 14 HD11 LEU 3 HD11 LEU 3 4.432 0.066 -9.905 15 HD12 LEU 3 HD12 LEU 3 3.744 0.400 -11.496 16 HD13 LEU 3 HD13 LEU 3 4.192 -1.248 -11.050 17 HD21 LEU 3 HD21 LEU 3 1.768 -1.951 -11.612 18 HD22 LEU 3 HD22 LEU 3 1.451 -0.268 -12.027 19 HD23 LEU 3 HD23 LEU 3 0.444 -1.083 -10.832 20 H ARG 4 HN ARG 4 3.767 1.285 -7.488 21 HA ARG 4 HA ARG 4 6.519 0.576 -7.878 22 HB2 ARG 4 HB2 ARG 4 6.999 2.858 -7.833 23 HB3 ARG 4 HB1 ARG 4 5.352 2.832 -8.437 24 HG2 ARG 4 HG2 ARG 4 6.090 3.335 -5.564 25 HG3 ARG 4 HG1 ARG 4 5.822 4.602 -6.756 26 HD2 ARG 4 HD2 ARG 4 3.783 2.534 -5.943 27 HD3 ARG 4 HD1 ARG 4 3.864 4.175 -5.305 28 HE ARG 4 HE ARG 4 3.294 3.503 -8.129 29 HH11 ARG 4 HH11 ARG 4 2.961 5.603 -5.339 30 HH12 ARG 4 HH12 ARG 4 1.799 6.647 -6.100 31 HH21 ARG 4 HH21 ARG 4 1.774 4.870 -9.127 32 HH22 ARG 4 HH22 ARG 4 1.151 6.244 -8.270 33 H SER 5 HN SER 5 4.382 0.790 -5.243 34 HA SER 5 HA SER 5 6.373 1.067 -3.184 35 HB2 SER 5 HB2 SER 5 3.436 0.384 -2.960 36 HB3 SER 5 HB1 SER 5 4.500 0.879 -1.642 37 HG SER 5 HG SER 5 4.855 2.833 -3.027 38 H LEU 6 HN LEU 6 5.210 -1.494 -5.060 39 HA LEU 6 HA LEU 6 4.473 -3.541 -3.480 40 HB2 LEU 6 HB2 LEU 6 6.225 -3.634 -5.914 41 HB3 LEU 6 HB1 LEU 6 5.623 -5.085 -5.136 42 HG LEU 6 HG LEU 6 3.959 -2.905 -6.399 43 HD11 LEU 6 HD11 LEU 6 5.081 -4.352 -8.005 44 HD12 LEU 6 HD12 LEU 6 3.343 -4.649 -7.992 45 HD13 LEU 6 HD13 LEU 6 4.439 -5.775 -7.188 46 HD21 LEU 6 HD21 LEU 6 2.821 -3.798 -4.452 47 HD22 LEU 6 HD22 LEU 6 3.109 -5.445 -5.013 48 HD23 LEU 6 HD23 LEU 6 2.049 -4.375 -5.930 49 H GLY 7 HN GLY 7 7.915 -2.807 -4.129 50 HA2 GLY 7 HA2 GLY 7 9.113 -4.892 -2.797 51 HA3 GLY 7 HA1 GLY 7 9.769 -3.263 -2.832 52 H ARG 8 HN ARG 8 7.922 -1.889 -1.323 53 HA ARG 8 HA ARG 8 8.505 -2.925 1.336 54 HB2 ARG 8 HB2 ARG 8 7.327 -0.253 0.542 55 HB3 ARG 8 HB1 ARG 8 7.944 -0.700 2.130 56 HG2 ARG 8 HG2 ARG 8 10.174 -0.925 1.245 57 HG3 ARG 8 HG1 ARG 8 9.591 -0.603 -0.384 58 HD2 ARG 8 HD2 ARG 8 8.811 1.641 0.477 59 HD3 ARG 8 HD1 ARG 8 9.726 1.294 1.947 60 HE ARG 8 HE ARG 8 11.144 1.077 -0.593 61 HH11 ARG 8 HH11 ARG 8 10.479 3.006 2.267 62 HH12 ARG 8 HH12 ARG 8 11.906 3.982 2.092 63 HH21 ARG 8 HH21 ARG 8 13.006 2.348 -0.825 64 HH22 ARG 8 HH22 ARG 8 13.345 3.617 0.321 65 H LYS 9 HN LYS 9 5.894 -2.638 -0.866 66 HA LYS 9 HA LYS 9 3.759 -2.716 1.021 67 HB2 LYS 9 HB2 LYS 9 3.524 -1.948 -1.338 68 HB3 LYS 9 HB1 LYS 9 3.735 -3.610 -1.868 69 HG2 LYS 9 HG2 LYS 9 1.717 -4.243 -0.605 70 HG3 LYS 9 HG1 LYS 9 1.492 -2.552 -0.157 71 HD2 LYS 9 HD2 LYS 9 1.298 -1.966 -2.541 72 HD3 LYS 9 HD1 LYS 9 1.475 -3.672 -2.963 73 HE2 LYS 9 HE2 LYS 9 -0.544 -4.179 -1.636 74 HE3 LYS 9 HE1 LYS 9 -0.736 -2.458 -1.305 75 HZ1 LYS 9 HZ1 LYS 9 -2.155 -3.127 -3.115 76 HZ2 LYS 9 HZ2 LYS 9 -0.838 -3.758 -3.977 77 HZ3 LYS 9 HZ3 LYS 9 -0.955 -2.088 -3.704 78 H ILE 10 HN ILE 10 5.799 -5.112 -0.469 79 HA ILE 10 HA ILE 10 4.248 -7.337 0.557 80 HB ILE 10 HB ILE 10 7.083 -7.336 -0.509 81 HG12 ILE 10 HG12 ILE 10 5.515 -6.503 -2.204 82 HG13 ILE 10 HG11 ILE 10 6.135 -8.093 -2.637 83 HG21 ILE 10 HG21 ILE 10 6.523 -9.299 0.847 84 HG22 ILE 10 HG22 ILE 10 6.750 -9.723 -0.849 85 HG23 ILE 10 HG23 ILE 10 5.123 -9.607 -0.180 86 HD11 ILE 10 HD11 ILE 10 3.768 -7.900 -3.127 87 HD12 ILE 10 HD12 ILE 10 3.437 -7.507 -1.438 88 HD13 ILE 10 HD13 ILE 10 4.051 -9.103 -1.871 89 H LEU 11 HN LEU 11 7.000 -5.397 1.439 90 HA LEU 11 HA LEU 11 8.197 -6.968 3.402 91 HB2 LEU 11 HB2 LEU 11 9.212 -4.990 2.410 92 HB3 LEU 11 HB1 LEU 11 8.010 -3.970 3.172 93 HG LEU 11 HG LEU 11 8.919 -4.756 5.399 94 HD11 LEU 11 HD11 LEU 11 11.157 -5.762 3.650 95 HD12 LEU 11 HD12 LEU 11 10.072 -6.750 4.628 96 HD13 LEU 11 HD13 LEU 11 11.197 -5.640 5.409 97 HD21 LEU 11 HD21 LEU 11 9.401 -2.554 4.522 98 HD22 LEU 11 HD22 LEU 11 10.717 -3.203 3.545 99 HD23 LEU 11 HD23 LEU 11 10.836 -3.217 5.305 100 H ARG 12 HN ARG 12 5.386 -4.893 3.593 101 HA ARG 12 HA ARG 12 5.280 -4.734 6.426 102 HB2 ARG 12 HB2 ARG 12 2.920 -3.992 6.053 103 HB3 ARG 12 HB1 ARG 12 4.119 -3.072 5.153 104 HG2 ARG 12 HG2 ARG 12 3.595 -4.330 3.138 105 HG3 ARG 12 HG1 ARG 12 2.420 -5.293 4.035 106 HD2 ARG 12 HD2 ARG 12 2.259 -2.301 3.790 107 HD3 ARG 12 HD1 ARG 12 1.484 -3.405 2.656 108 HE ARG 12 HE ARG 12 0.828 -3.860 5.440 109 HH11 ARG 12 HH11 ARG 12 -0.030 -2.174 2.494 110 HH12 ARG 12 HH12 ARG 12 -1.703 -1.988 2.922 111 HH21 ARG 12 HH21 ARG 12 -1.361 -3.626 6.017 112 HH22 ARG 12 HH22 ARG 12 -2.461 -2.804 4.948 113 H ALA 13 HN ALA 13 4.464 -7.193 4.201 114 HA ALA 13 HA ALA 13 3.423 -9.207 4.347 115 HB1 ALA 13 HB1 ALA 13 5.303 -9.583 5.855 116 HB2 ALA 13 HB2 ALA 13 3.879 -10.490 6.366 117 HB3 ALA 13 HB3 ALA 13 4.334 -9.012 7.216 118 H TRP 14 HN TRP 14 1.353 -8.248 3.961 119 HA TRP 14 HA TRP 14 -0.474 -7.548 5.977 120 HB2 TRP 14 HB2 TRP 14 -1.886 -8.765 3.813 121 HB3 TRP 14 HB1 TRP 14 -1.712 -7.052 4.183 122 HD1 TRP 14 HD1 TRP 14 -0.051 -5.641 2.713 123 HE1 TRP 14 HE1 TRP 14 1.277 -6.143 0.566 124 HE3 TRP 14 HE3 TRP 14 -0.618 -10.720 2.569 125 HZ2 TRP 14 HZ2 TRP 14 1.974 -8.385 -0.985 126 HZ3 TRP 14 HZ3 TRP 14 0.419 -11.971 0.721 127 HH2 TRP 14 HH2 TRP 14 1.689 -10.824 -1.020 128 H LYS 15 HN LYS 15 -0.573 -10.518 4.039 129 HA LYS 15 HA LYS 15 -1.293 -12.012 6.473 130 HB2 LYS 15 HB2 LYS 15 -2.530 -13.563 4.982 131 HB3 LYS 15 HB1 LYS 15 -3.190 -11.934 4.983 132 HG2 LYS 15 HG2 LYS 15 -3.116 -12.007 2.769 133 HG3 LYS 15 HG1 LYS 15 -1.356 -11.954 2.892 134 HD2 LYS 15 HD2 LYS 15 -2.001 -13.833 1.523 135 HD3 LYS 15 HD1 LYS 15 -1.332 -14.421 3.046 136 HE2 LYS 15 HE2 LYS 15 -3.663 -14.632 3.905 137 HE3 LYS 15 HE1 LYS 15 -4.245 -14.221 2.294 138 HZ1 LYS 15 HZ1 LYS 15 -2.521 -16.554 2.940 139 HZ2 LYS 15 HZ2 LYS 15 -3.177 -16.180 1.417 140 HZ3 LYS 15 HZ3 LYS 15 -4.195 -16.617 2.699 141 H LYS 16 HN LYS 16 1.109 -11.405 4.432 142 HA LYS 16 HA LYS 16 3.014 -12.406 3.712 143 HB2 LYS 16 HB2 LYS 16 3.187 -12.327 6.236 144 HB3 LYS 16 HB1 LYS 16 2.760 -14.033 6.235 145 HG2 LYS 16 HG2 LYS 16 5.184 -13.655 6.405 146 HG3 LYS 16 HG1 LYS 16 4.743 -14.572 4.963 147 HD2 LYS 16 HD2 LYS 16 4.872 -12.502 3.633 148 HD3 LYS 16 HD1 LYS 16 5.361 -11.618 5.077 149 HE2 LYS 16 HE2 LYS 16 6.881 -13.963 3.959 150 HE3 LYS 16 HE1 LYS 16 7.227 -12.289 3.533 151 HZ1 LYS 16 HZ1 LYS 16 7.643 -11.836 5.886 152 HZ2 LYS 16 HZ2 LYS 16 8.688 -13.021 5.278 153 HZ3 LYS 16 HZ3 LYS 16 7.377 -13.468 6.260 154 H TYR 17 HN TYR 17 1.350 -13.440 2.125 155 HA TYR 17 HA TYR 17 1.165 -15.076 0.589 156 HB2 TYR 17 HB2 TYR 17 3.289 -16.475 2.220 157 HB3 TYR 17 HB1 TYR 17 2.713 -17.014 0.646 158 HD1 TYR 17 HD1 TYR 17 3.027 -15.452 -1.337 159 HD2 TYR 17 HD2 TYR 17 4.992 -14.872 2.387 160 HE1 TYR 17 HE1 TYR 17 4.678 -14.005 -2.442 161 HE2 TYR 17 HE2 TYR 17 6.646 -13.420 1.294 162 HH TYR 17 HH TYR 17 7.570 -13.093 -0.987 163 H GLY 18 HN GLY 18 1.698 -17.006 3.555 164 HA2 GLY 18 HA2 GLY 18 -0.618 -18.620 2.767 165 HA3 GLY 18 HA1 GLY 18 0.604 -19.071 3.947 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 0.748 2.296 -1.100 2 H2 GLY 1 HT2 GLY 1 0.321 0.681 -0.832 3 H3 GLY 1 HT3 GLY 1 -0.529 1.603 -1.971 4 HA2 GLY 1 HA1 GLY 1 1.416 1.766 -3.369 5 HA3 GLY 1 HA2 GLY 1 2.338 0.866 -2.173 6 H GLY 2 HN GLY 2 2.260 -0.026 -4.752 7 HA2 GLY 2 HA2 GLY 2 1.045 -2.619 -4.438 8 HA3 GLY 2 HA1 GLY 2 0.259 -1.630 -5.659 9 H LEU 3 HN LEU 3 1.413 -1.063 -7.554 10 HA LEU 3 HA LEU 3 2.919 -3.294 -8.501 11 HB2 LEU 3 HB2 LEU 3 2.450 -0.637 -9.863 12 HB3 LEU 3 HB1 LEU 3 2.992 -2.110 -10.634 13 HG LEU 3 HG LEU 3 0.733 -3.109 -9.910 14 HD11 LEU 3 HD11 LEU 3 -1.077 -1.481 -9.663 15 HD12 LEU 3 HD12 LEU 3 0.102 -0.169 -9.638 16 HD13 LEU 3 HD13 LEU 3 0.083 -1.363 -8.339 17 HD21 LEU 3 HD21 LEU 3 1.319 -2.606 -12.211 18 HD22 LEU 3 HD22 LEU 3 0.879 -0.914 -11.974 19 HD23 LEU 3 HD23 LEU 3 -0.360 -2.169 -11.896 20 H ARG 4 HN ARG 4 3.720 0.170 -8.445 21 HA ARG 4 HA ARG 4 6.506 -0.411 -8.908 22 HB2 ARG 4 HB2 ARG 4 6.788 2.012 -8.990 23 HB3 ARG 4 HB1 ARG 4 5.438 1.505 -9.994 24 HG2 ARG 4 HG2 ARG 4 4.054 2.057 -7.817 25 HG3 ARG 4 HG1 ARG 4 5.445 3.088 -7.479 26 HD2 ARG 4 HD2 ARG 4 3.558 3.192 -9.814 27 HD3 ARG 4 HD1 ARG 4 3.905 4.449 -8.629 28 HE ARG 4 HE ARG 4 6.167 3.638 -10.229 29 HH11 ARG 4 HH11 ARG 4 3.418 5.804 -10.008 30 HH12 ARG 4 HH12 ARG 4 4.132 7.013 -11.039 31 HH21 ARG 4 HH21 ARG 4 7.086 5.194 -11.605 32 HH22 ARG 4 HH22 ARG 4 6.214 6.659 -11.958 33 H SER 5 HN SER 5 4.467 0.069 -6.278 34 HA SER 5 HA SER 5 6.458 0.883 -4.377 35 HB2 SER 5 HB2 SER 5 3.800 -0.294 -3.641 36 HB3 SER 5 HB1 SER 5 4.723 0.972 -2.829 37 HG SER 5 HG SER 5 4.258 2.353 -4.593 38 H LEU 6 HN LEU 6 5.713 -2.012 -5.857 39 HA LEU 6 HA LEU 6 5.217 -3.951 -4.080 40 HB2 LEU 6 HB2 LEU 6 5.444 -4.309 -6.476 41 HB3 LEU 6 HB1 LEU 6 7.185 -4.152 -6.348 42 HG LEU 6 HG LEU 6 7.259 -6.193 -4.960 43 HD11 LEU 6 HD11 LEU 6 5.042 -6.058 -3.972 44 HD12 LEU 6 HD12 LEU 6 5.273 -7.605 -4.785 45 HD13 LEU 6 HD13 LEU 6 4.308 -6.343 -5.550 46 HD21 LEU 6 HD21 LEU 6 5.814 -6.555 -7.582 47 HD22 LEU 6 HD22 LEU 6 6.778 -7.774 -6.747 48 HD23 LEU 6 HD23 LEU 6 7.551 -6.325 -7.390 49 H GLY 7 HN GLY 7 8.573 -2.827 -4.725 50 HA2 GLY 7 HA2 GLY 7 9.904 -4.590 -3.037 51 HA3 GLY 7 HA1 GLY 7 10.437 -2.950 -3.375 52 H ARG 8 HN ARG 8 8.435 -1.489 -2.229 53 HA ARG 8 HA ARG 8 9.118 -1.619 0.550 54 HB2 ARG 8 HB2 ARG 8 7.282 0.159 -1.050 55 HB3 ARG 8 HB1 ARG 8 7.486 0.322 0.689 56 HG2 ARG 8 HG2 ARG 8 9.752 0.477 -1.280 57 HG3 ARG 8 HG1 ARG 8 8.865 1.881 -0.678 58 HD2 ARG 8 HD2 ARG 8 10.421 -0.099 0.988 59 HD3 ARG 8 HD1 ARG 8 10.911 1.552 0.598 60 HE ARG 8 HE ARG 8 8.355 1.267 1.945 61 HH11 ARG 8 HH11 ARG 8 11.806 1.783 2.329 62 HH12 ARG 8 HH12 ARG 8 11.630 2.649 3.831 63 HH21 ARG 8 HH21 ARG 8 8.126 2.364 3.908 64 HH22 ARG 8 HH22 ARG 8 9.529 2.974 4.738 65 H LYS 9 HN LYS 9 6.433 -2.637 -1.418 66 HA LYS 9 HA LYS 9 4.551 -2.902 0.706 67 HB2 LYS 9 HB2 LYS 9 3.964 -2.686 -1.721 68 HB3 LYS 9 HB1 LYS 9 4.542 -4.330 -1.957 69 HG2 LYS 9 HG2 LYS 9 2.834 -5.218 -0.560 70 HG3 LYS 9 HG1 LYS 9 2.343 -3.606 -0.035 71 HD2 LYS 9 HD2 LYS 9 1.683 -3.083 -2.356 72 HD3 LYS 9 HD1 LYS 9 2.117 -4.729 -2.826 73 HE2 LYS 9 HE2 LYS 9 0.431 -5.629 -1.331 74 HE3 LYS 9 HE1 LYS 9 0.036 -4.005 -0.768 75 HZ1 LYS 9 HZ1 LYS 9 -1.535 -4.852 -2.431 76 HZ2 LYS 9 HZ2 LYS 9 -0.281 -4.946 -3.569 77 HZ3 LYS 9 HZ3 LYS 9 -0.754 -3.443 -2.949 78 H ILE 10 HN ILE 10 6.807 -5.099 -0.903 79 HA ILE 10 HA ILE 10 6.090 -7.418 0.568 80 HB ILE 10 HB ILE 10 8.675 -6.727 -0.843 81 HG12 ILE 10 HG12 ILE 10 6.776 -6.832 -2.353 82 HG13 ILE 10 HG11 ILE 10 7.804 -8.243 -2.594 83 HG21 ILE 10 HG21 ILE 10 9.197 -9.105 -0.778 84 HG22 ILE 10 HG22 ILE 10 7.741 -9.407 0.169 85 HG23 ILE 10 HG23 ILE 10 9.054 -8.449 0.854 86 HD11 ILE 10 HD11 ILE 10 5.220 -8.168 -1.048 87 HD12 ILE 10 HD12 ILE 10 6.255 -9.583 -1.250 88 HD13 ILE 10 HD13 ILE 10 5.466 -8.860 -2.652 89 H LEU 11 HN LEU 11 8.277 -4.758 1.127 90 HA LEU 11 HA LEU 11 9.772 -5.775 3.255 91 HB2 LEU 11 HB2 LEU 11 10.187 -3.646 1.987 92 HB3 LEU 11 HB1 LEU 11 8.868 -2.917 2.877 93 HG LEU 11 HG LEU 11 11.184 -4.090 4.376 94 HD11 LEU 11 HD11 LEU 11 12.303 -1.910 4.270 95 HD12 LEU 11 HD12 LEU 11 11.101 -1.356 3.105 96 HD13 LEU 11 HD13 LEU 11 12.199 -2.670 2.682 97 HD21 LEU 11 HD21 LEU 11 10.607 -2.383 5.997 98 HD22 LEU 11 HD22 LEU 11 9.173 -3.325 5.589 99 HD23 LEU 11 HD23 LEU 11 9.395 -1.716 4.902 100 H ARG 12 HN ARG 12 6.571 -4.345 3.138 101 HA ARG 12 HA ARG 12 6.146 -4.138 5.923 102 HB2 ARG 12 HB2 ARG 12 4.670 -2.938 4.500 103 HB3 ARG 12 HB1 ARG 12 4.259 -4.382 3.585 104 HG2 ARG 12 HG2 ARG 12 3.154 -5.296 5.598 105 HG3 ARG 12 HG1 ARG 12 3.485 -3.776 6.428 106 HD2 ARG 12 HD2 ARG 12 2.031 -2.574 5.046 107 HD3 ARG 12 HD1 ARG 12 1.991 -3.851 3.828 108 HE ARG 12 HE ARG 12 0.971 -4.764 6.323 109 HH11 ARG 12 HH11 ARG 12 0.121 -2.777 3.575 110 HH12 ARG 12 HH12 ARG 12 -1.570 -3.176 3.643 111 HH21 ARG 12 HH21 ARG 12 -1.237 -5.296 6.430 112 HH22 ARG 12 HH22 ARG 12 -2.344 -4.614 5.272 113 H ALA 13 HN ALA 13 5.633 -6.742 3.611 114 HA ALA 13 HA ALA 13 5.054 -8.931 3.799 115 HB1 ALA 13 HB1 ALA 13 6.299 -8.650 6.535 116 HB2 ALA 13 HB2 ALA 13 7.167 -8.996 5.038 117 HB3 ALA 13 HB3 ALA 13 6.005 -10.161 5.675 118 H TRP 14 HN TRP 14 2.845 -7.861 3.873 119 HA TRP 14 HA TRP 14 1.387 -7.728 6.266 120 HB2 TRP 14 HB2 TRP 14 -0.578 -7.494 4.876 121 HB3 TRP 14 HB1 TRP 14 0.744 -6.592 4.147 122 HD1 TRP 14 HD1 TRP 14 -1.874 -9.034 3.302 123 HE1 TRP 14 HE1 TRP 14 -1.484 -10.050 0.973 124 HE3 TRP 14 HE3 TRP 14 2.935 -7.454 2.514 125 HZ2 TRP 14 HZ2 TRP 14 0.593 -10.173 -0.933 126 HZ3 TRP 14 HZ3 TRP 14 4.041 -8.076 0.409 127 HH2 TRP 14 HH2 TRP 14 2.893 -9.404 -1.279 128 H LYS 15 HN LYS 15 1.847 -10.343 3.944 129 HA LYS 15 HA LYS 15 0.533 -12.158 5.862 130 HB2 LYS 15 HB2 LYS 15 0.001 -13.636 3.968 131 HB3 LYS 15 HB1 LYS 15 -0.736 -12.051 3.776 132 HG2 LYS 15 HG2 LYS 15 0.632 -11.470 2.030 133 HG3 LYS 15 HG1 LYS 15 1.915 -12.575 2.523 134 HD2 LYS 15 HD2 LYS 15 0.817 -13.354 0.492 135 HD3 LYS 15 HD1 LYS 15 0.548 -14.475 1.826 136 HE2 LYS 15 HE2 LYS 15 -1.669 -13.446 2.190 137 HE3 LYS 15 HE1 LYS 15 -1.390 -12.415 0.785 138 HZ1 LYS 15 HZ1 LYS 15 -2.715 -14.376 0.236 139 HZ2 LYS 15 HZ2 LYS 15 -1.458 -15.388 0.747 140 HZ3 LYS 15 HZ3 LYS 15 -1.241 -14.377 -0.599 141 H LYS 16 HN LYS 16 3.400 -11.292 4.338 142 HA LYS 16 HA LYS 16 5.488 -12.161 4.191 143 HB2 LYS 16 HB2 LYS 16 4.930 -12.594 6.661 144 HB3 LYS 16 HB1 LYS 16 4.638 -14.261 6.186 145 HG2 LYS 16 HG2 LYS 16 6.877 -13.959 7.100 146 HG3 LYS 16 HG1 LYS 16 6.935 -14.461 5.408 147 HD2 LYS 16 HD2 LYS 16 7.366 -12.179 4.716 148 HD3 LYS 16 HD1 LYS 16 7.197 -11.617 6.380 149 HE2 LYS 16 HE2 LYS 16 9.287 -13.561 5.417 150 HE3 LYS 16 HE1 LYS 16 9.551 -11.833 5.652 151 HZ1 LYS 16 HZ1 LYS 16 9.026 -12.101 7.992 152 HZ2 LYS 16 HZ2 LYS 16 10.304 -13.129 7.557 153 HZ3 LYS 16 HZ3 LYS 16 8.746 -13.759 7.772 154 H TYR 17 HN TYR 17 3.338 -13.150 2.484 155 HA TYR 17 HA TYR 17 2.994 -14.614 0.809 156 HB2 TYR 17 HB2 TYR 17 5.808 -15.362 1.526 157 HB3 TYR 17 HB1 TYR 17 4.915 -16.291 0.326 158 HD1 TYR 17 HD1 TYR 17 4.089 -15.158 -1.728 159 HD2 TYR 17 HD2 TYR 17 6.738 -13.233 0.988 160 HE1 TYR 17 HE1 TYR 17 4.666 -13.521 -3.464 161 HE2 TYR 17 HE2 TYR 17 7.318 -11.583 -0.743 162 HH TYR 17 HH TYR 17 7.308 -11.383 -3.172 163 H GLY 18 HN GLY 18 1.340 -15.852 1.253 164 HA2 GLY 18 HA2 GLY 18 1.710 -18.505 2.246 165 HA3 GLY 18 HA1 GLY 18 0.892 -17.467 3.408 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 -1.022 2.989 -1.781 2 H2 GLY 1 HT2 GLY 1 -0.301 2.349 -0.387 3 H3 GLY 1 HT3 GLY 1 -1.393 1.409 -1.283 4 HA2 GLY 1 HA1 GLY 1 1.302 2.305 -2.134 5 HA3 GLY 1 HA2 GLY 1 0.814 0.659 -1.752 6 H GLY 2 HN GLY 2 1.151 -0.294 -3.709 7 HA2 GLY 2 HA2 GLY 2 -0.716 -0.454 -5.631 8 HA3 GLY 2 HA1 GLY 2 0.195 0.962 -6.135 9 H LEU 3 HN LEU 3 1.245 0.273 -7.889 10 HA LEU 3 HA LEU 3 2.137 -2.415 -8.208 11 HB2 LEU 3 HB2 LEU 3 2.710 0.055 -9.840 12 HB3 LEU 3 HB1 LEU 3 3.113 -1.581 -10.327 13 HG LEU 3 HG LEU 3 0.315 -0.538 -9.863 14 HD11 LEU 3 HD11 LEU 3 1.376 0.393 -11.872 15 HD12 LEU 3 HD12 LEU 3 0.063 -0.712 -12.271 16 HD13 LEU 3 HD13 LEU 3 1.736 -1.242 -12.428 17 HD21 LEU 3 HD21 LEU 3 0.534 -2.913 -9.333 18 HD22 LEU 3 HD22 LEU 3 1.279 -3.198 -10.906 19 HD23 LEU 3 HD23 LEU 3 -0.401 -2.671 -10.809 20 H ARG 4 HN ARG 4 3.998 0.637 -8.110 21 HA ARG 4 HA ARG 4 6.477 -0.757 -7.902 22 HB2 ARG 4 HB2 ARG 4 7.510 1.448 -7.593 23 HB3 ARG 4 HB1 ARG 4 6.435 1.410 -8.978 24 HG2 ARG 4 HG2 ARG 4 5.521 2.463 -6.323 25 HG3 ARG 4 HG1 ARG 4 6.408 3.473 -7.464 26 HD2 ARG 4 HD2 ARG 4 3.739 2.136 -7.864 27 HD3 ARG 4 HD1 ARG 4 4.085 3.864 -7.825 28 HE ARG 4 HE ARG 4 4.987 2.050 -9.976 29 HH11 ARG 4 HH11 ARG 4 3.840 5.180 -8.889 30 HH12 ARG 4 HH12 ARG 4 3.822 5.861 -10.489 31 HH21 ARG 4 HH21 ARG 4 4.950 2.928 -12.054 32 HH22 ARG 4 HH22 ARG 4 4.475 4.588 -12.293 33 H SER 5 HN SER 5 4.143 0.247 -5.658 34 HA SER 5 HA SER 5 5.828 0.498 -3.377 35 HB2 SER 5 HB2 SER 5 2.867 -0.096 -3.447 36 HB3 SER 5 HB1 SER 5 3.780 0.622 -2.121 37 HG SER 5 HG SER 5 4.281 2.372 -3.634 38 H LEU 6 HN LEU 6 4.680 -2.129 -5.156 39 HA LEU 6 HA LEU 6 3.952 -4.146 -3.530 40 HB2 LEU 6 HB2 LEU 6 4.176 -4.366 -5.945 41 HB3 LEU 6 HB1 LEU 6 5.922 -4.333 -5.806 42 HG LEU 6 HG LEU 6 5.778 -6.455 -4.471 43 HD11 LEU 6 HD11 LEU 6 3.725 -7.777 -4.678 44 HD12 LEU 6 HD12 LEU 6 2.919 -6.391 -5.416 45 HD13 LEU 6 HD13 LEU 6 3.477 -6.302 -3.744 46 HD21 LEU 6 HD21 LEU 6 5.470 -7.872 -6.421 47 HD22 LEU 6 HD22 LEU 6 6.381 -6.421 -6.842 48 HD23 LEU 6 HD23 LEU 6 4.676 -6.548 -7.275 49 H GLY 7 HN GLY 7 7.377 -3.352 -4.185 50 HA2 GLY 7 HA2 GLY 7 8.521 -5.421 -2.710 51 HA3 GLY 7 HA1 GLY 7 9.301 -3.888 -3.053 52 H ARG 8 HN ARG 8 7.306 -2.321 -1.592 53 HA ARG 8 HA ARG 8 8.400 -2.762 1.077 54 HB2 ARG 8 HB2 ARG 8 6.737 -0.492 -0.038 55 HB3 ARG 8 HB1 ARG 8 7.413 -0.545 1.586 56 HG2 ARG 8 HG2 ARG 8 9.664 -0.583 0.658 57 HG3 ARG 8 HG1 ARG 8 8.995 -0.560 -0.975 58 HD2 ARG 8 HD2 ARG 8 9.739 1.660 -0.248 59 HD3 ARG 8 HD1 ARG 8 8.006 1.613 -0.570 60 HE ARG 8 HE ARG 8 7.963 1.223 2.026 61 HH11 ARG 8 HH11 ARG 8 10.017 3.399 0.211 62 HH12 ARG 8 HH12 ARG 8 10.147 4.558 1.504 63 HH21 ARG 8 HH21 ARG 8 8.104 2.723 3.710 64 HH22 ARG 8 HH22 ARG 8 9.042 4.179 3.501 65 H LYS 9 HN LYS 9 5.423 -3.012 -0.680 66 HA LYS 9 HA LYS 9 3.651 -3.186 1.532 67 HB2 LYS 9 HB2 LYS 9 2.975 -2.798 -0.860 68 HB3 LYS 9 HB1 LYS 9 3.337 -4.490 -1.178 69 HG2 LYS 9 HG2 LYS 9 1.656 -5.053 0.630 70 HG3 LYS 9 HG1 LYS 9 1.175 -3.355 0.572 71 HD2 LYS 9 HD2 LYS 9 -0.306 -4.593 -0.848 72 HD3 LYS 9 HD1 LYS 9 0.762 -3.637 -1.878 73 HE2 LYS 9 HE2 LYS 9 2.166 -5.600 -2.248 74 HE3 LYS 9 HE1 LYS 9 1.115 -6.559 -1.211 75 HZ1 LYS 9 HZ1 LYS 9 -0.709 -6.099 -2.780 76 HZ2 LYS 9 HZ2 LYS 9 0.566 -6.962 -3.487 77 HZ3 LYS 9 HZ3 LYS 9 0.389 -5.304 -3.804 78 H ILE 10 HN ILE 10 5.615 -5.521 -0.221 79 HA ILE 10 HA ILE 10 4.613 -7.841 1.090 80 HB ILE 10 HB ILE 10 7.329 -7.434 -0.179 81 HG12 ILE 10 HG12 ILE 10 5.562 -6.908 -1.776 82 HG13 ILE 10 HG11 ILE 10 6.335 -8.430 -2.204 83 HG21 ILE 10 HG21 ILE 10 5.784 -9.956 0.405 84 HG22 ILE 10 HG22 ILE 10 7.242 -9.404 1.229 85 HG23 ILE 10 HG23 ILE 10 7.313 -9.868 -0.470 86 HD11 ILE 10 HD11 ILE 10 3.926 -8.526 -2.497 87 HD12 ILE 10 HD12 ILE 10 3.695 -8.130 -0.794 88 HD13 ILE 10 HD13 ILE 10 4.461 -9.652 -1.247 89 H LEU 11 HN LEU 11 7.012 -5.444 1.845 90 HA LEU 11 HA LEU 11 8.624 -6.911 3.601 91 HB2 LEU 11 HB2 LEU 11 9.254 -4.753 2.574 92 HB3 LEU 11 HB1 LEU 11 8.095 -3.944 3.612 93 HG LEU 11 HG LEU 11 9.387 -4.706 5.592 94 HD11 LEU 11 HD11 LEU 11 11.385 -5.637 3.533 95 HD12 LEU 11 HD12 LEU 11 10.422 -6.678 4.583 96 HD13 LEU 11 HD13 LEU 11 11.630 -5.596 5.280 97 HD21 LEU 11 HD21 LEU 11 10.914 -3.112 3.537 98 HD22 LEU 11 HD22 LEU 11 11.270 -3.160 5.265 99 HD23 LEU 11 HD23 LEU 11 9.743 -2.485 4.698 100 H ARG 12 HN ARG 12 5.655 -5.073 4.181 101 HA ARG 12 HA ARG 12 5.874 -5.135 7.013 102 HB2 ARG 12 HB2 ARG 12 3.568 -4.368 7.083 103 HB3 ARG 12 HB1 ARG 12 4.456 -3.482 5.856 104 HG2 ARG 12 HG2 ARG 12 2.464 -3.900 4.798 105 HG3 ARG 12 HG1 ARG 12 3.463 -5.235 4.227 106 HD2 ARG 12 HD2 ARG 12 1.395 -6.193 4.805 107 HD3 ARG 12 HD1 ARG 12 2.492 -6.601 6.120 108 HE ARG 12 HE ARG 12 0.518 -4.412 6.288 109 HH11 ARG 12 HH11 ARG 12 2.240 -7.102 7.761 110 HH12 ARG 12 HH12 ARG 12 1.315 -7.037 9.232 111 HH21 ARG 12 HH21 ARG 12 -0.670 -4.326 8.214 112 HH22 ARG 12 HH22 ARG 12 -0.319 -5.447 9.499 113 H ALA 13 HN ALA 13 4.994 -7.469 4.708 114 HA ALA 13 HA ALA 13 4.240 -9.601 4.806 115 HB1 ALA 13 HB1 ALA 13 6.252 -9.818 6.195 116 HB2 ALA 13 HB2 ALA 13 4.986 -10.952 6.662 117 HB3 ALA 13 HB3 ALA 13 5.278 -9.509 7.633 118 H TRP 14 HN TRP 14 2.044 -9.009 4.593 119 HA TRP 14 HA TRP 14 0.313 -8.625 6.801 120 HB2 TRP 14 HB2 TRP 14 -1.150 -9.842 4.685 121 HB3 TRP 14 HB1 TRP 14 -1.098 -8.136 5.123 122 HD1 TRP 14 HD1 TRP 14 0.303 -6.518 3.594 123 HE1 TRP 14 HE1 TRP 14 1.464 -6.797 1.320 124 HE3 TRP 14 HE3 TRP 14 0.143 -11.615 3.210 125 HZ2 TRP 14 HZ2 TRP 14 2.201 -8.888 -0.414 126 HZ3 TRP 14 HZ3 TRP 14 1.097 -12.675 1.211 127 HH2 TRP 14 HH2 TRP 14 2.106 -11.341 -0.567 128 H LYS 15 HN LYS 15 0.252 -11.408 4.610 129 HA LYS 15 HA LYS 15 0.182 -13.163 6.963 130 HB2 LYS 15 HB2 LYS 15 -1.034 -14.781 5.352 131 HB3 LYS 15 HB1 LYS 15 -1.939 -13.461 6.072 132 HG2 LYS 15 HG2 LYS 15 -2.641 -13.042 4.006 133 HG3 LYS 15 HG1 LYS 15 -1.039 -12.356 3.729 134 HD2 LYS 15 HD2 LYS 15 -0.261 -14.329 2.708 135 HD3 LYS 15 HD1 LYS 15 -1.623 -15.275 3.318 136 HE2 LYS 15 HE2 LYS 15 -3.139 -13.900 1.911 137 HE3 LYS 15 HE1 LYS 15 -1.725 -13.096 1.233 138 HZ1 LYS 15 HZ1 LYS 15 -2.206 -16.023 1.077 139 HZ2 LYS 15 HZ2 LYS 15 -0.990 -15.142 0.290 140 HZ3 LYS 15 HZ3 LYS 15 -2.610 -14.924 -0.153 141 H LYS 16 HN LYS 16 2.165 -12.066 4.778 142 HA LYS 16 HA LYS 16 4.119 -12.723 3.830 143 HB2 LYS 16 HB2 LYS 16 4.476 -13.124 6.281 144 HB3 LYS 16 HB1 LYS 16 4.088 -14.815 6.005 145 HG2 LYS 16 HG2 LYS 16 6.475 -14.520 6.095 146 HG3 LYS 16 HG1 LYS 16 5.994 -14.983 4.463 147 HD2 LYS 16 HD2 LYS 16 6.221 -12.722 3.689 148 HD3 LYS 16 HD1 LYS 16 6.498 -12.140 5.332 149 HE2 LYS 16 HE2 LYS 16 8.292 -14.065 3.856 150 HE3 LYS 16 HE1 LYS 16 8.579 -12.331 3.996 151 HZ1 LYS 16 HZ1 LYS 16 8.383 -14.210 6.296 152 HZ2 LYS 16 HZ2 LYS 16 8.767 -12.559 6.373 153 HZ3 LYS 16 HZ3 LYS 16 9.837 -13.644 5.625 154 H TYR 17 HN TYR 17 2.540 -13.516 2.095 155 HA TYR 17 HA TYR 17 1.955 -14.998 0.492 156 HB2 TYR 17 HB2 TYR 17 4.782 -15.763 1.129 157 HB3 TYR 17 HB1 TYR 17 3.882 -16.592 -0.141 158 HD1 TYR 17 HD1 TYR 17 5.572 -13.525 0.830 159 HD2 TYR 17 HD2 TYR 17 3.104 -15.343 -2.121 160 HE1 TYR 17 HE1 TYR 17 6.080 -11.687 -0.715 161 HE2 TYR 17 HE2 TYR 17 3.609 -13.512 -3.677 162 HH TYR 17 HH TYR 17 6.108 -11.289 -3.175 163 H GLY 18 HN GLY 18 0.506 -15.746 2.413 164 HA2 GLY 18 HA2 GLY 18 0.883 -18.636 2.785 165 HA3 GLY 18 HA1 GLY 18 -0.202 -17.623 3.731 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 1.904 2.529 -3.303 2 H2 GLY 1 HT2 GLY 1 0.408 2.132 -2.616 3 H3 GLY 1 HT3 GLY 1 0.832 3.755 -2.830 4 HA2 GLY 1 HA1 GLY 1 -0.722 3.162 -4.526 5 HA3 GLY 1 HA2 GLY 1 0.858 3.427 -5.247 6 H GLY 2 HN GLY 2 1.050 0.591 -3.554 7 HA2 GLY 2 HA2 GLY 2 0.597 -1.628 -4.017 8 HA3 GLY 2 HA1 GLY 2 -0.403 -1.113 -5.362 9 H LEU 3 HN LEU 3 0.829 -0.311 -7.312 10 HA LEU 3 HA LEU 3 2.171 -2.534 -8.297 11 HB2 LEU 3 HB2 LEU 3 2.094 0.286 -9.355 12 HB3 LEU 3 HB1 LEU 3 2.773 -1.062 -10.243 13 HG LEU 3 HG LEU 3 0.456 -2.152 -10.014 14 HD11 LEU 3 HD11 LEU 3 -0.290 0.704 -9.405 15 HD12 LEU 3 HD12 LEU 3 -0.445 -0.668 -8.307 16 HD13 LEU 3 HD13 LEU 3 -1.414 -0.604 -9.778 17 HD21 LEU 3 HD21 LEU 3 1.392 -1.246 -12.099 18 HD22 LEU 3 HD22 LEU 3 0.732 0.338 -11.689 19 HD23 LEU 3 HD23 LEU 3 -0.354 -1.018 -11.990 20 H ARG 4 HN ARG 4 3.679 0.682 -7.871 21 HA ARG 4 HA ARG 4 6.294 -0.523 -7.995 22 HB2 ARG 4 HB2 ARG 4 7.181 1.743 -7.767 23 HB3 ARG 4 HB1 ARG 4 5.985 1.638 -9.045 24 HG2 ARG 4 HG2 ARG 4 5.275 2.624 -6.302 25 HG3 ARG 4 HG1 ARG 4 5.950 3.691 -7.533 26 HD2 ARG 4 HD2 ARG 4 3.371 2.140 -7.649 27 HD3 ARG 4 HD1 ARG 4 3.573 3.891 -7.622 28 HE ARG 4 HE ARG 4 4.903 2.772 -9.864 29 HH11 ARG 4 HH11 ARG 4 1.718 3.636 -8.682 30 HH12 ARG 4 HH12 ARG 4 1.008 3.712 -10.267 31 HH21 ARG 4 HH21 ARG 4 4.000 2.918 -11.941 32 HH22 ARG 4 HH22 ARG 4 2.321 3.333 -12.135 33 H SER 5 HN SER 5 4.052 0.191 -5.593 34 HA SER 5 HA SER 5 5.865 0.661 -3.430 35 HB2 SER 5 HB2 SER 5 2.977 -0.201 -3.244 36 HB3 SER 5 HB1 SER 5 3.915 0.705 -2.055 37 HG SER 5 HG SER 5 4.101 2.369 -3.746 38 H LEU 6 HN LEU 6 4.839 -2.078 -5.101 39 HA LEU 6 HA LEU 6 4.266 -4.078 -3.409 40 HB2 LEU 6 HB2 LEU 6 4.525 -4.142 -5.918 41 HB3 LEU 6 HB1 LEU 6 6.234 -4.412 -5.663 42 HG LEU 6 HG LEU 6 4.209 -6.276 -4.458 43 HD11 LEU 6 HD11 LEU 6 4.433 -7.676 -6.473 44 HD12 LEU 6 HD12 LEU 6 5.316 -6.368 -7.262 45 HD13 LEU 6 HD13 LEU 6 3.627 -6.144 -6.804 46 HD21 LEU 6 HD21 LEU 6 6.044 -7.892 -4.699 47 HD22 LEU 6 HD22 LEU 6 6.518 -6.509 -3.713 48 HD23 LEU 6 HD23 LEU 6 7.061 -6.626 -5.386 49 H GLY 7 HN GLY 7 7.635 -3.066 -4.119 50 HA2 GLY 7 HA2 GLY 7 8.929 -5.037 -2.619 51 HA3 GLY 7 HA1 GLY 7 9.587 -3.448 -2.968 52 H ARG 8 HN ARG 8 7.618 -1.935 -1.581 53 HA ARG 8 HA ARG 8 8.590 -2.342 1.138 54 HB2 ARG 8 HB2 ARG 8 6.961 -0.080 -0.044 55 HB3 ARG 8 HB1 ARG 8 7.705 -0.095 1.553 56 HG2 ARG 8 HG2 ARG 8 9.903 -0.140 0.596 57 HG3 ARG 8 HG1 ARG 8 9.238 -0.332 -1.026 58 HD2 ARG 8 HD2 ARG 8 8.154 1.885 -0.787 59 HD3 ARG 8 HD1 ARG 8 8.960 2.071 0.772 60 HE ARG 8 HE ARG 8 10.895 1.458 -1.170 61 HH11 ARG 8 HH11 ARG 8 8.731 4.072 -0.308 62 HH12 ARG 8 HH12 ARG 8 9.767 5.315 -0.938 63 HH21 ARG 8 HH21 ARG 8 12.258 3.085 -2.025 64 HH22 ARG 8 HH22 ARG 8 11.765 4.753 -1.941 65 H LYS 9 HN LYS 9 5.799 -2.833 -0.735 66 HA LYS 9 HA LYS 9 3.770 -2.866 1.217 67 HB2 LYS 9 HB2 LYS 9 3.239 -2.872 -1.126 68 HB3 LYS 9 HB1 LYS 9 4.147 -4.350 -1.386 69 HG2 LYS 9 HG2 LYS 9 2.470 -5.513 0.086 70 HG3 LYS 9 HG1 LYS 9 1.511 -4.031 0.016 71 HD2 LYS 9 HD2 LYS 9 1.369 -4.185 -2.388 72 HD3 LYS 9 HD1 LYS 9 2.444 -5.585 -2.398 73 HE2 LYS 9 HE2 LYS 9 0.728 -6.786 -1.015 74 HE3 LYS 9 HE1 LYS 9 -0.348 -5.411 -1.274 75 HZ1 LYS 9 HZ1 LYS 9 0.835 -7.110 -3.408 76 HZ2 LYS 9 HZ2 LYS 9 -0.203 -5.790 -3.658 77 HZ3 LYS 9 HZ3 LYS 9 -0.771 -7.178 -2.871 78 H ILE 10 HN ILE 10 6.246 -5.163 0.331 79 HA ILE 10 HA ILE 10 5.087 -7.433 1.634 80 HB ILE 10 HB ILE 10 8.021 -7.077 1.019 81 HG12 ILE 10 HG12 ILE 10 6.854 -6.488 -1.013 82 HG13 ILE 10 HG11 ILE 10 7.539 -8.099 -1.197 83 HG21 ILE 10 HG21 ILE 10 6.248 -9.512 1.142 84 HG22 ILE 10 HG22 ILE 10 7.463 -9.036 2.329 85 HG23 ILE 10 HG23 ILE 10 7.957 -9.512 0.705 86 HD11 ILE 10 HD11 ILE 10 5.306 -7.957 -2.137 87 HD12 ILE 10 HD12 ILE 10 4.666 -7.469 -0.567 88 HD13 ILE 10 HD13 ILE 10 5.354 -9.079 -0.775 89 H LEU 11 HN LEU 11 6.815 -4.692 2.718 90 HA LEU 11 HA LEU 11 8.434 -5.774 4.734 91 HB2 LEU 11 HB2 LEU 11 8.222 -3.354 3.651 92 HB3 LEU 11 HB1 LEU 11 7.251 -3.061 5.078 93 HG LEU 11 HG LEU 11 9.602 -2.344 5.330 94 HD11 LEU 11 HD11 LEU 11 10.013 -3.374 7.506 95 HD12 LEU 11 HD12 LEU 11 8.790 -4.596 7.157 96 HD13 LEU 11 HD13 LEU 11 8.325 -2.901 7.314 97 HD21 LEU 11 HD21 LEU 11 11.357 -4.031 5.576 98 HD22 LEU 11 HD22 LEU 11 10.668 -4.026 3.952 99 HD23 LEU 11 HD23 LEU 11 10.209 -5.284 5.100 100 H ARG 12 HN ARG 12 5.066 -4.662 4.825 101 HA ARG 12 HA ARG 12 4.871 -4.859 7.668 102 HB2 ARG 12 HB2 ARG 12 2.453 -4.545 7.352 103 HB3 ARG 12 HB1 ARG 12 3.396 -3.350 6.475 104 HG2 ARG 12 HG2 ARG 12 2.980 -4.438 4.393 105 HG3 ARG 12 HG1 ARG 12 2.242 -5.822 5.204 106 HD2 ARG 12 HD2 ARG 12 1.187 -2.999 5.270 107 HD3 ARG 12 HD1 ARG 12 0.574 -4.286 4.231 108 HE ARG 12 HE ARG 12 0.518 -5.169 6.900 109 HH11 ARG 12 HH11 ARG 12 -1.083 -2.826 4.834 110 HH12 ARG 12 HH12 ARG 12 -2.584 -2.902 5.715 111 HH21 ARG 12 HH21 ARG 12 -1.431 -5.248 8.055 112 HH22 ARG 12 HH22 ARG 12 -2.777 -4.265 7.563 113 H ALA 13 HN ALA 13 4.620 -7.111 5.096 114 HA ALA 13 HA ALA 13 4.085 -9.329 4.975 115 HB1 ALA 13 HB1 ALA 13 4.933 -10.698 6.774 116 HB2 ALA 13 HB2 ALA 13 4.985 -9.304 7.854 117 HB3 ALA 13 HB3 ALA 13 6.053 -9.375 6.452 118 H TRP 14 HN TRP 14 1.815 -8.592 4.819 119 HA TRP 14 HA TRP 14 -0.074 -8.799 6.849 120 HB2 TRP 14 HB2 TRP 14 -1.068 -9.979 4.396 121 HB3 TRP 14 HB1 TRP 14 -1.499 -8.439 5.136 122 HD1 TRP 14 HD1 TRP 14 -0.651 -6.289 3.967 123 HE1 TRP 14 HE1 TRP 14 0.847 -5.803 1.933 124 HE3 TRP 14 HE3 TRP 14 1.109 -11.013 3.107 125 HZ2 TRP 14 HZ2 TRP 14 2.555 -7.236 0.197 126 HZ3 TRP 14 HZ3 TRP 14 2.678 -11.370 1.251 127 HH2 TRP 14 HH2 TRP 14 3.386 -9.520 -0.175 128 H LYS 15 HN LYS 15 0.662 -11.300 4.445 129 HA LYS 15 HA LYS 15 0.222 -13.355 6.510 130 HB2 LYS 15 HB2 LYS 15 -0.124 -14.889 4.518 131 HB3 LYS 15 HB1 LYS 15 -1.375 -13.680 4.783 132 HG2 LYS 15 HG2 LYS 15 -0.858 -12.524 2.899 133 HG3 LYS 15 HG1 LYS 15 0.851 -12.954 2.973 134 HD2 LYS 15 HD2 LYS 15 -0.327 -13.988 1.069 135 HD3 LYS 15 HD1 LYS 15 0.380 -15.166 2.175 136 HE2 LYS 15 HE2 LYS 15 -1.844 -15.443 3.238 137 HE3 LYS 15 HE1 LYS 15 -2.521 -14.335 2.046 138 HZ1 LYS 15 HZ1 LYS 15 -2.799 -16.751 1.539 139 HZ2 LYS 15 HZ2 LYS 15 -1.124 -16.849 1.320 140 HZ3 LYS 15 HZ3 LYS 15 -2.056 -15.855 0.307 141 H LYS 16 HN LYS 16 2.568 -11.759 4.852 142 HA LYS 16 HA LYS 16 4.770 -12.081 4.381 143 HB2 LYS 16 HB2 LYS 16 4.675 -12.788 6.814 144 HB3 LYS 16 HB1 LYS 16 4.583 -14.449 6.253 145 HG2 LYS 16 HG2 LYS 16 6.846 -13.845 6.927 146 HG3 LYS 16 HG1 LYS 16 6.768 -14.241 5.209 147 HD2 LYS 16 HD2 LYS 16 6.777 -11.898 4.627 148 HD3 LYS 16 HD1 LYS 16 6.718 -11.441 6.329 149 HE2 LYS 16 HE2 LYS 16 8.975 -11.223 5.439 150 HE3 LYS 16 HE1 LYS 16 8.905 -12.470 6.683 151 HZ1 LYS 16 HZ1 LYS 16 8.894 -14.159 4.992 152 HZ2 LYS 16 HZ2 LYS 16 10.211 -13.125 4.725 153 HZ3 LYS 16 HZ3 LYS 16 8.821 -12.995 3.761 154 H TYR 17 HN TYR 17 2.852 -13.242 2.660 155 HA TYR 17 HA TYR 17 2.556 -14.694 0.958 156 HB2 TYR 17 HB2 TYR 17 5.544 -14.766 1.243 157 HB3 TYR 17 HB1 TYR 17 4.727 -15.773 0.052 158 HD1 TYR 17 HD1 TYR 17 5.923 -12.468 0.835 159 HD2 TYR 17 HD2 TYR 17 3.305 -14.662 -1.704 160 HE1 TYR 17 HE1 TYR 17 5.853 -10.570 -0.728 161 HE2 TYR 17 HE2 TYR 17 3.229 -12.772 -3.269 162 HH TYR 17 HH TYR 17 5.377 -10.152 -3.105 163 H GLY 18 HN GLY 18 1.446 -15.880 2.768 164 HA2 GLY 18 HA2 GLY 18 2.664 -18.508 3.253 165 HA3 GLY 18 HA1 GLY 18 1.268 -17.850 4.101 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 0.238 3.443 -0.883 2 H2 GLY 1 HT2 GLY 1 0.790 3.017 0.659 3 H3 GLY 1 HT3 GLY 1 -0.660 2.374 0.077 4 HA2 GLY 1 HA1 GLY 1 2.076 1.816 -0.906 5 HA3 GLY 1 HA2 GLY 1 1.000 0.692 -0.089 6 H GLY 2 HN GLY 2 2.027 1.933 -3.059 7 HA2 GLY 2 HA2 GLY 2 -0.231 0.607 -4.436 8 HA3 GLY 2 HA1 GLY 2 0.501 2.089 -5.030 9 H LEU 3 HN LEU 3 0.909 1.049 -7.024 10 HA LEU 3 HA LEU 3 2.282 -1.399 -7.274 11 HB2 LEU 3 HB2 LEU 3 2.005 0.878 -9.234 12 HB3 LEU 3 HB1 LEU 3 2.648 -0.703 -9.638 13 HG LEU 3 HG LEU 3 -0.162 -0.151 -8.678 14 HD11 LEU 3 HD11 LEU 3 -0.818 -0.743 -10.952 15 HD12 LEU 3 HD12 LEU 3 0.878 -0.905 -11.404 16 HD13 LEU 3 HD13 LEU 3 0.236 0.670 -10.940 17 HD21 LEU 3 HD21 LEU 3 0.604 -2.337 -7.960 18 HD22 LEU 3 HD22 LEU 3 1.159 -2.704 -9.593 19 HD23 LEU 3 HD23 LEU 3 -0.564 -2.507 -9.271 20 H ARG 4 HN ARG 4 3.472 1.952 -7.386 21 HA ARG 4 HA ARG 4 6.178 1.112 -7.836 22 HB2 ARG 4 HB2 ARG 4 6.763 3.500 -7.344 23 HB3 ARG 4 HB1 ARG 4 5.615 3.275 -8.653 24 HG2 ARG 4 HG2 ARG 4 4.550 3.788 -5.928 25 HG3 ARG 4 HG1 ARG 4 5.281 5.128 -6.812 26 HD2 ARG 4 HD2 ARG 4 2.973 3.402 -7.709 27 HD3 ARG 4 HD1 ARG 4 2.910 5.102 -7.235 28 HE ARG 4 HE ARG 4 4.257 4.081 -9.661 29 HH11 ARG 4 HH11 ARG 4 2.596 6.633 -7.912 30 HH12 ARG 4 HH12 ARG 4 2.622 7.729 -9.261 31 HH21 ARG 4 HH21 ARG 4 4.260 5.512 -11.418 32 HH22 ARG 4 HH22 ARG 4 3.569 7.100 -11.243 33 H SER 5 HN SER 5 4.178 1.425 -5.106 34 HA SER 5 HA SER 5 6.262 1.804 -3.175 35 HB2 SER 5 HB2 SER 5 3.513 0.712 -2.604 36 HB3 SER 5 HB1 SER 5 4.562 1.653 -1.543 37 HG SER 5 HG SER 5 4.278 3.422 -3.044 38 H LEU 6 HN LEU 6 5.032 -0.793 -4.968 39 HA LEU 6 HA LEU 6 4.908 -3.010 -3.459 40 HB2 LEU 6 HB2 LEU 6 4.620 -2.854 -5.922 41 HB3 LEU 6 HB1 LEU 6 6.361 -2.849 -6.100 42 HG LEU 6 HG LEU 6 5.016 -5.152 -4.722 43 HD11 LEU 6 HD11 LEU 6 4.815 -6.278 -6.879 44 HD12 LEU 6 HD12 LEU 6 5.318 -4.802 -7.704 45 HD13 LEU 6 HD13 LEU 6 3.794 -4.844 -6.814 46 HD21 LEU 6 HD21 LEU 6 6.917 -6.382 -5.609 47 HD22 LEU 6 HD22 LEU 6 7.472 -4.984 -4.690 48 HD23 LEU 6 HD23 LEU 6 7.482 -4.941 -6.453 49 H GLY 7 HN GLY 7 7.944 -1.511 -4.519 50 HA2 GLY 7 HA2 GLY 7 9.794 -3.384 -3.787 51 HA3 GLY 7 HA1 GLY 7 10.049 -1.655 -3.611 52 H ARG 8 HN ARG 8 8.591 -0.840 -1.580 53 HA ARG 8 HA ARG 8 9.708 -2.315 0.668 54 HB2 ARG 8 HB2 ARG 8 10.142 0.058 0.645 55 HB3 ARG 8 HB1 ARG 8 8.429 0.418 0.483 56 HG2 ARG 8 HG2 ARG 8 7.978 -0.129 2.698 57 HG3 ARG 8 HG1 ARG 8 9.462 -1.068 2.868 58 HD2 ARG 8 HD2 ARG 8 9.411 1.193 4.018 59 HD3 ARG 8 HD1 ARG 8 10.800 0.863 2.987 60 HE ARG 8 HE ARG 8 9.896 2.352 1.354 61 HH11 ARG 8 HH11 ARG 8 8.235 2.384 4.442 62 HH12 ARG 8 HH12 ARG 8 7.497 3.936 4.177 63 HH21 ARG 8 HH21 ARG 8 8.960 4.410 1.014 64 HH22 ARG 8 HH22 ARG 8 7.908 5.090 2.229 65 H LYS 9 HN LYS 9 6.699 -1.850 -0.903 66 HA LYS 9 HA LYS 9 4.907 -2.145 1.232 67 HB2 LYS 9 HB2 LYS 9 4.277 -1.400 -1.043 68 HB3 LYS 9 HB1 LYS 9 4.509 -3.041 -1.628 69 HG2 LYS 9 HG2 LYS 9 2.707 -3.833 -0.215 70 HG3 LYS 9 HG1 LYS 9 2.508 -2.219 0.470 71 HD2 LYS 9 HD2 LYS 9 1.903 -1.359 -1.746 72 HD3 LYS 9 HD1 LYS 9 2.099 -2.977 -2.426 73 HE2 LYS 9 HE2 LYS 9 0.310 -3.818 -1.020 74 HE3 LYS 9 HE1 LYS 9 0.144 -2.240 -0.250 75 HZ1 LYS 9 HZ1 LYS 9 -1.538 -2.643 -1.968 76 HZ2 LYS 9 HZ2 LYS 9 -0.320 -2.786 -3.134 77 HZ3 LYS 9 HZ3 LYS 9 -0.566 -1.307 -2.345 78 H ILE 10 HN ILE 10 6.876 -4.468 -0.408 79 HA ILE 10 HA ILE 10 5.393 -6.781 0.414 80 HB ILE 10 HB ILE 10 8.244 -6.551 -0.573 81 HG12 ILE 10 HG12 ILE 10 6.637 -5.779 -2.240 82 HG13 ILE 10 HG11 ILE 10 7.318 -7.329 -2.728 83 HG21 ILE 10 HG21 ILE 10 7.873 -8.610 0.693 84 HG22 ILE 10 HG22 ILE 10 8.106 -8.942 -1.022 85 HG23 ILE 10 HG23 ILE 10 6.486 -8.992 -0.329 86 HD11 ILE 10 HD11 ILE 10 4.931 -7.223 -3.164 87 HD12 ILE 10 HD12 ILE 10 4.626 -6.901 -1.455 88 HD13 ILE 10 HD13 ILE 10 5.301 -8.451 -1.956 89 H LEU 11 HN LEU 11 8.009 -4.872 1.746 90 HA LEU 11 HA LEU 11 9.178 -6.804 3.413 91 HB2 LEU 11 HB2 LEU 11 9.180 -3.812 3.417 92 HB3 LEU 11 HB1 LEU 11 9.906 -4.684 4.750 93 HG LEU 11 HG LEU 11 11.625 -4.061 3.205 94 HD11 LEU 11 HD11 LEU 11 11.002 -6.999 2.941 95 HD12 LEU 11 HD12 LEU 11 11.864 -6.235 4.276 96 HD13 LEU 11 HD13 LEU 11 12.571 -6.246 2.660 97 HD21 LEU 11 HD21 LEU 11 11.641 -4.826 0.882 98 HD22 LEU 11 HD22 LEU 11 10.268 -3.766 1.209 99 HD23 LEU 11 HD23 LEU 11 10.031 -5.511 1.099 100 H ARG 12 HN ARG 12 6.392 -4.757 3.907 101 HA ARG 12 HA ARG 12 6.304 -4.941 6.727 102 HB2 ARG 12 HB2 ARG 12 4.022 -4.142 6.561 103 HB3 ARG 12 HB1 ARG 12 5.048 -3.246 5.451 104 HG2 ARG 12 HG2 ARG 12 4.202 -4.462 3.577 105 HG3 ARG 12 HG1 ARG 12 3.325 -5.573 4.634 106 HD2 ARG 12 HD2 ARG 12 2.814 -2.619 4.343 107 HD3 ARG 12 HD1 ARG 12 1.833 -3.915 3.659 108 HE ARG 12 HE ARG 12 1.841 -4.501 6.298 109 HH11 ARG 12 HH11 ARG 12 1.130 -1.572 4.510 110 HH12 ARG 12 HH12 ARG 12 -0.044 -1.001 5.667 111 HH21 ARG 12 HH21 ARG 12 0.328 -3.746 7.826 112 HH22 ARG 12 HH22 ARG 12 -0.476 -2.229 7.564 113 H ALA 13 HN ALA 13 5.468 -7.145 4.239 114 HA ALA 13 HA ALA 13 4.457 -9.168 4.156 115 HB1 ALA 13 HB1 ALA 13 6.320 -9.747 5.618 116 HB2 ALA 13 HB2 ALA 13 4.881 -10.686 6.016 117 HB3 ALA 13 HB3 ALA 13 5.351 -9.323 7.032 118 H TRP 14 HN TRP 14 2.393 -8.169 3.865 119 HA TRP 14 HA TRP 14 0.574 -7.481 5.854 120 HB2 TRP 14 HB2 TRP 14 -0.784 -8.778 3.654 121 HB3 TRP 14 HB1 TRP 14 -0.759 -7.075 4.094 122 HD1 TRP 14 HD1 TRP 14 0.981 -5.498 2.821 123 HE1 TRP 14 HE1 TRP 14 2.315 -5.803 0.645 124 HE3 TRP 14 HE3 TRP 14 0.419 -10.544 2.220 125 HZ2 TRP 14 HZ2 TRP 14 3.021 -7.893 -1.102 126 HZ3 TRP 14 HZ3 TRP 14 1.461 -11.620 0.267 127 HH2 TRP 14 HH2 TRP 14 2.734 -10.319 -1.359 128 H LYS 15 HN LYS 15 0.211 -10.441 3.937 129 HA LYS 15 HA LYS 15 -0.151 -11.923 6.449 130 HB2 LYS 15 HB2 LYS 15 -1.539 -13.540 5.098 131 HB3 LYS 15 HB1 LYS 15 -2.264 -11.966 5.370 132 HG2 LYS 15 HG2 LYS 15 -2.757 -12.445 3.152 133 HG3 LYS 15 HG1 LYS 15 -1.366 -11.365 3.044 134 HD2 LYS 15 HD2 LYS 15 -1.109 -13.221 1.506 135 HD3 LYS 15 HD1 LYS 15 0.105 -13.317 2.782 136 HE2 LYS 15 HE2 LYS 15 -0.739 -15.515 2.440 137 HE3 LYS 15 HE1 LYS 15 -1.395 -14.932 3.967 138 HZ1 LYS 15 HZ1 LYS 15 -2.861 -14.850 1.389 139 HZ2 LYS 15 HZ2 LYS 15 -3.485 -14.516 2.928 140 HZ3 LYS 15 HZ3 LYS 15 -3.016 -16.096 2.530 141 H LYS 16 HN LYS 16 1.996 -11.257 4.243 142 HA LYS 16 HA LYS 16 3.943 -12.147 3.521 143 HB2 LYS 16 HB2 LYS 16 4.136 -12.549 5.971 144 HB3 LYS 16 HB1 LYS 16 3.496 -14.167 5.721 145 HG2 LYS 16 HG2 LYS 16 5.924 -14.175 5.945 146 HG3 LYS 16 HG1 LYS 16 5.422 -14.738 4.350 147 HD2 LYS 16 HD2 LYS 16 5.922 -12.552 3.404 148 HD3 LYS 16 HD1 LYS 16 6.372 -11.948 4.999 149 HE2 LYS 16 HE2 LYS 16 7.735 -14.206 3.541 150 HE3 LYS 16 HE1 LYS 16 8.326 -12.547 3.619 151 HZ1 LYS 16 HZ1 LYS 16 8.510 -12.756 6.014 152 HZ2 LYS 16 HZ2 LYS 16 9.422 -13.960 5.245 153 HZ3 LYS 16 HZ3 LYS 16 7.928 -14.350 5.951 154 H TYR 17 HN TYR 17 2.127 -12.804 1.797 155 HA TYR 17 HA TYR 17 1.864 -14.074 -0.042 156 HB2 TYR 17 HB2 TYR 17 4.174 -15.598 1.148 157 HB3 TYR 17 HB1 TYR 17 3.460 -16.002 -0.412 158 HD1 TYR 17 HD1 TYR 17 3.641 -14.427 -2.300 159 HD2 TYR 17 HD2 TYR 17 5.584 -13.662 1.407 160 HE1 TYR 17 HE1 TYR 17 5.049 -12.737 -3.394 161 HE2 TYR 17 HE2 TYR 17 6.998 -11.968 0.319 162 HH TYR 17 HH TYR 17 6.346 -10.751 -2.791 163 H GLY 18 HN GLY 18 2.462 -16.440 2.591 164 HA2 GLY 18 HA2 GLY 18 -0.186 -17.569 1.961 165 HA3 GLY 18 HA1 GLY 18 1.213 -18.626 2.091 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 2.501 3.717 -2.857 2 H2 GLY 1 HT2 GLY 1 2.885 3.863 -1.215 3 H3 GLY 1 HT3 GLY 1 1.262 3.710 -1.700 4 HA2 GLY 1 HA1 GLY 1 3.383 1.645 -1.908 5 HA3 GLY 1 HA2 GLY 1 2.009 1.623 -0.813 6 H GLY 2 HN GLY 2 2.817 1.747 -4.282 7 HA2 GLY 2 HA2 GLY 2 0.637 -0.141 -4.772 8 HA3 GLY 2 HA1 GLY 2 0.581 1.398 -5.615 9 H LEU 3 HN LEU 3 1.716 1.642 -7.459 10 HA LEU 3 HA LEU 3 2.508 -0.757 -8.748 11 HB2 LEU 3 HB2 LEU 3 2.585 2.132 -9.564 12 HB3 LEU 3 HB1 LEU 3 3.198 0.863 -10.604 13 HG LEU 3 HG LEU 3 0.904 -0.183 -10.532 14 HD11 LEU 3 HD11 LEU 3 0.082 0.890 -8.496 15 HD12 LEU 3 HD12 LEU 3 -0.975 1.216 -9.871 16 HD13 LEU 3 HD13 LEU 3 0.139 2.458 -9.300 17 HD21 LEU 3 HD21 LEU 3 1.687 1.137 -12.424 18 HD22 LEU 3 HD22 LEU 3 1.119 2.610 -11.638 19 HD23 LEU 3 HD23 LEU 3 -0.039 1.381 -12.147 20 H ARG 4 HN ARG 4 4.424 2.211 -8.116 21 HA ARG 4 HA ARG 4 6.839 0.754 -8.745 22 HB2 ARG 4 HB2 ARG 4 8.020 2.898 -8.234 23 HB3 ARG 4 HB1 ARG 4 6.843 2.993 -9.530 24 HG2 ARG 4 HG2 ARG 4 5.993 3.759 -6.783 25 HG3 ARG 4 HG1 ARG 4 7.028 4.859 -7.697 26 HD2 ARG 4 HD2 ARG 4 4.315 3.807 -8.494 27 HD3 ARG 4 HD1 ARG 4 4.744 5.470 -8.095 28 HE ARG 4 HE ARG 4 6.262 4.446 -10.296 29 HH11 ARG 4 HH11 ARG 4 3.237 5.988 -9.387 30 HH12 ARG 4 HH12 ARG 4 2.928 6.587 -10.995 31 HH21 ARG 4 HH21 ARG 4 5.808 5.176 -12.403 32 HH22 ARG 4 HH22 ARG 4 4.354 6.079 -12.706 33 H SER 5 HN SER 5 5.030 1.499 -5.976 34 HA SER 5 HA SER 5 7.175 1.202 -4.083 35 HB2 SER 5 HB2 SER 5 4.251 0.930 -3.439 36 HB3 SER 5 HB1 SER 5 5.555 1.525 -2.414 37 HG SER 5 HG SER 5 5.524 3.441 -3.418 38 H LEU 6 HN LEU 6 5.378 -0.915 -5.965 39 HA LEU 6 HA LEU 6 4.378 -2.941 -4.521 40 HB2 LEU 6 HB2 LEU 6 4.567 -2.660 -7.048 41 HB3 LEU 6 HB1 LEU 6 6.115 -3.468 -6.920 42 HG LEU 6 HG LEU 6 3.576 -4.763 -5.941 43 HD11 LEU 6 HD11 LEU 6 3.255 -4.154 -8.285 44 HD12 LEU 6 HD12 LEU 6 3.438 -5.898 -8.099 45 HD13 LEU 6 HD13 LEU 6 4.784 -4.930 -8.699 46 HD21 LEU 6 HD21 LEU 6 4.832 -6.825 -6.286 47 HD22 LEU 6 HD22 LEU 6 5.703 -5.745 -5.196 48 HD23 LEU 6 HD23 LEU 6 6.211 -5.900 -6.877 49 H GLY 7 HN GLY 7 7.844 -2.784 -5.423 50 HA2 GLY 7 HA2 GLY 7 8.630 -5.178 -4.232 51 HA3 GLY 7 HA1 GLY 7 9.680 -3.792 -4.477 52 H ARG 8 HN ARG 8 8.685 -1.917 -2.828 53 HA ARG 8 HA ARG 8 9.591 -2.838 -0.276 54 HB2 ARG 8 HB2 ARG 8 10.060 -0.580 -1.214 55 HB3 ARG 8 HB1 ARG 8 8.359 -0.184 -1.031 56 HG2 ARG 8 HG2 ARG 8 8.514 -0.310 1.346 57 HG3 ARG 8 HG1 ARG 8 10.156 -0.954 1.255 58 HD2 ARG 8 HD2 ARG 8 9.259 1.788 0.369 59 HD3 ARG 8 HD1 ARG 8 10.204 1.415 1.812 60 HE ARG 8 HE ARG 8 11.722 0.363 -0.137 61 HH11 ARG 8 HH11 ARG 8 10.265 3.541 0.229 62 HH12 ARG 8 HH12 ARG 8 11.476 4.331 -0.742 63 HH21 ARG 8 HH21 ARG 8 13.279 1.396 -1.386 64 HH22 ARG 8 HH22 ARG 8 13.184 3.109 -1.670 65 H LYS 9 HN LYS 9 6.510 -2.431 -1.775 66 HA LYS 9 HA LYS 9 4.886 -2.157 0.515 67 HB2 LYS 9 HB2 LYS 9 4.078 -1.672 -1.741 68 HB3 LYS 9 HB1 LYS 9 4.242 -3.366 -2.181 69 HG2 LYS 9 HG2 LYS 9 2.518 -3.962 -0.553 70 HG3 LYS 9 HG1 LYS 9 2.365 -2.265 -0.095 71 HD2 LYS 9 HD2 LYS 9 1.597 -1.691 -2.313 72 HD3 LYS 9 HD1 LYS 9 1.869 -3.345 -2.870 73 HE2 LYS 9 HE2 LYS 9 0.181 -4.140 -1.273 74 HE3 LYS 9 HE1 LYS 9 -0.094 -2.480 -0.749 75 HZ1 LYS 9 HZ1 LYS 9 -1.043 -1.917 -2.797 76 HZ2 LYS 9 HZ2 LYS 9 -1.695 -3.445 -2.444 77 HZ3 LYS 9 HZ3 LYS 9 -0.441 -3.299 -3.573 78 H ILE 10 HN ILE 10 6.513 -4.873 -0.861 79 HA ILE 10 HA ILE 10 4.925 -6.900 0.402 80 HB ILE 10 HB ILE 10 7.746 -7.123 -0.665 81 HG12 ILE 10 HG12 ILE 10 6.197 -6.288 -2.392 82 HG13 ILE 10 HG11 ILE 10 6.743 -7.919 -2.756 83 HG21 ILE 10 HG21 ILE 10 7.085 -8.958 0.805 84 HG22 ILE 10 HG22 ILE 10 7.265 -9.504 -0.862 85 HG23 ILE 10 HG23 ILE 10 5.656 -9.244 -0.186 86 HD11 ILE 10 HD11 ILE 10 4.080 -7.131 -1.606 87 HD12 ILE 10 HD12 ILE 10 4.617 -8.791 -1.870 88 HD13 ILE 10 HD13 ILE 10 4.401 -7.702 -3.242 89 H LEU 11 HN LEU 11 7.623 -4.922 1.299 90 HA LEU 11 HA LEU 11 8.895 -6.590 3.163 91 HB2 LEU 11 HB2 LEU 11 8.893 -3.656 2.641 92 HB3 LEU 11 HB1 LEU 11 9.617 -4.242 4.124 93 HG LEU 11 HG LEU 11 11.191 -5.603 2.845 94 HD11 LEU 11 HD11 LEU 11 11.346 -5.418 0.430 95 HD12 LEU 11 HD12 LEU 11 9.912 -4.392 0.402 96 HD13 LEU 11 HD13 LEU 11 9.780 -6.077 0.905 97 HD21 LEU 11 HD21 LEU 11 11.084 -2.737 1.919 98 HD22 LEU 11 HD22 LEU 11 12.504 -3.783 1.887 99 HD23 LEU 11 HD23 LEU 11 11.790 -3.313 3.430 100 H ARG 12 HN ARG 12 6.059 -4.580 3.492 101 HA ARG 12 HA ARG 12 6.158 -4.335 6.316 102 HB2 ARG 12 HB2 ARG 12 3.828 -3.628 6.193 103 HB3 ARG 12 HB1 ARG 12 4.778 -2.840 4.941 104 HG2 ARG 12 HG2 ARG 12 3.768 -4.016 3.245 105 HG3 ARG 12 HG1 ARG 12 3.305 -5.350 4.302 106 HD2 ARG 12 HD2 ARG 12 2.126 -2.579 4.425 107 HD3 ARG 12 HD1 ARG 12 1.393 -3.943 3.580 108 HE ARG 12 HE ARG 12 1.958 -4.562 6.312 109 HH11 ARG 12 HH11 ARG 12 -0.342 -2.995 4.189 110 HH12 ARG 12 HH12 ARG 12 -1.648 -3.074 5.338 111 HH21 ARG 12 HH21 ARG 12 0.256 -4.733 7.793 112 HH22 ARG 12 HH22 ARG 12 -1.315 -4.091 7.393 113 H ALA 13 HN ALA 13 5.232 -6.893 4.216 114 HA ALA 13 HA ALA 13 4.262 -8.934 4.507 115 HB1 ALA 13 HB1 ALA 13 5.307 -8.598 7.319 116 HB2 ALA 13 HB2 ALA 13 6.210 -9.249 5.949 117 HB3 ALA 13 HB3 ALA 13 4.805 -10.114 6.573 118 H TRP 14 HN TRP 14 2.200 -7.905 4.174 119 HA TRP 14 HA TRP 14 0.463 -7.060 6.196 120 HB2 TRP 14 HB2 TRP 14 -0.995 -8.454 4.137 121 HB3 TRP 14 HB1 TRP 14 -0.886 -6.721 4.426 122 HD1 TRP 14 HD1 TRP 14 0.739 -5.319 2.884 123 HE1 TRP 14 HE1 TRP 14 2.021 -5.863 0.721 124 HE3 TRP 14 HE3 TRP 14 0.232 -10.409 2.904 125 HZ2 TRP 14 HZ2 TRP 14 2.710 -8.150 -0.787 126 HZ3 TRP 14 HZ3 TRP 14 1.225 -11.696 1.060 127 HH2 TRP 14 HH2 TRP 14 2.437 -10.589 -0.745 128 H LYS 15 HN LYS 15 0.440 -10.194 4.525 129 HA LYS 15 HA LYS 15 -0.304 -11.451 7.082 130 HB2 LYS 15 HB2 LYS 15 -1.320 -13.260 5.655 131 HB3 LYS 15 HB1 LYS 15 -2.140 -11.705 5.587 132 HG2 LYS 15 HG2 LYS 15 -1.799 -11.522 3.400 133 HG3 LYS 15 HG1 LYS 15 -0.092 -11.944 3.558 134 HD2 LYS 15 HD2 LYS 15 -1.239 -13.572 2.176 135 HD3 LYS 15 HD1 LYS 15 -0.696 -14.310 3.684 136 HE2 LYS 15 HE2 LYS 15 -3.025 -13.858 4.580 137 HE3 LYS 15 HE1 LYS 15 -3.488 -13.472 2.924 138 HZ1 LYS 15 HZ1 LYS 15 -4.000 -15.769 3.458 139 HZ2 LYS 15 HZ2 LYS 15 -2.381 -16.065 3.864 140 HZ3 LYS 15 HZ3 LYS 15 -2.801 -15.697 2.257 141 H LYS 16 HN LYS 16 1.898 -11.260 4.518 142 HA LYS 16 HA LYS 16 3.916 -12.162 4.094 143 HB2 LYS 16 HB2 LYS 16 4.258 -11.540 6.477 144 HB3 LYS 16 HB1 LYS 16 3.780 -13.167 6.937 145 HG2 LYS 16 HG2 LYS 16 6.178 -12.991 6.962 146 HG3 LYS 16 HG1 LYS 16 5.682 -14.067 5.655 147 HD2 LYS 16 HD2 LYS 16 5.889 -12.129 4.090 148 HD3 LYS 16 HD1 LYS 16 6.570 -11.195 5.425 149 HE2 LYS 16 HE2 LYS 16 7.691 -13.740 4.258 150 HE3 LYS 16 HE1 LYS 16 8.336 -12.117 4.025 151 HZ1 LYS 16 HZ1 LYS 16 8.129 -13.475 6.661 152 HZ2 LYS 16 HZ2 LYS 16 8.892 -11.996 6.339 153 HZ3 LYS 16 HZ3 LYS 16 9.530 -13.434 5.711 154 H TYR 17 HN TYR 17 2.218 -13.628 2.837 155 HA TYR 17 HA TYR 17 1.993 -15.619 1.771 156 HB2 TYR 17 HB2 TYR 17 4.723 -16.090 2.983 157 HB3 TYR 17 HB1 TYR 17 4.023 -17.022 1.660 158 HD1 TYR 17 HD1 TYR 17 3.881 -16.099 -0.573 159 HD2 TYR 17 HD2 TYR 17 5.462 -13.791 2.633 160 HE1 TYR 17 HE1 TYR 17 4.759 -14.467 -2.181 161 HE2 TYR 17 HE2 TYR 17 6.344 -12.156 1.033 162 HH TYR 17 HH TYR 17 7.008 -12.049 -1.319 163 H GLY 18 HN GLY 18 1.001 -15.496 4.535 164 HA2 GLY 18 HA2 GLY 18 1.073 -18.396 5.103 165 HA3 GLY 18 HA1 GLY 18 1.021 -17.187 6.381 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 -0.235 5.039 -4.580 2 H2 GLY 1 HT2 GLY 1 -1.209 3.665 -4.766 3 H3 GLY 1 HT3 GLY 1 -0.603 4.467 -6.131 4 HA2 GLY 1 HA1 GLY 1 1.641 3.857 -5.563 5 HA3 GLY 1 HA2 GLY 1 1.052 3.084 -4.098 6 H GLY 2 HN GLY 2 1.533 0.977 -4.462 7 HA2 GLY 2 HA2 GLY 2 0.560 -1.082 -5.203 8 HA3 GLY 2 HA1 GLY 2 0.033 -0.270 -6.671 9 H LEU 3 HN LEU 3 1.463 -0.025 -8.386 10 HA LEU 3 HA LEU 3 3.351 -2.110 -8.680 11 HB2 LEU 3 HB2 LEU 3 2.916 0.359 -10.365 12 HB3 LEU 3 HB1 LEU 3 3.939 -0.985 -10.826 13 HG LEU 3 HG LEU 3 1.812 -2.424 -10.631 14 HD11 LEU 3 HD11 LEU 3 0.561 0.315 -10.826 15 HD12 LEU 3 HD12 LEU 3 0.413 -0.803 -9.469 16 HD13 LEU 3 HD13 LEU 3 -0.281 -1.220 -11.036 17 HD21 LEU 3 HD21 LEU 3 2.920 -1.875 -12.730 18 HD22 LEU 3 HD22 LEU 3 2.060 -0.336 -12.791 19 HD23 LEU 3 HD23 LEU 3 1.167 -1.852 -12.914 20 H ARG 4 HN ARG 4 3.714 1.385 -8.286 21 HA ARG 4 HA ARG 4 6.563 1.342 -8.260 22 HB2 ARG 4 HB2 ARG 4 5.189 3.320 -8.846 23 HB3 ARG 4 HB1 ARG 4 4.653 3.419 -7.176 24 HG2 ARG 4 HG2 ARG 4 6.887 3.908 -6.439 25 HG3 ARG 4 HG1 ARG 4 7.511 3.666 -8.075 26 HD2 ARG 4 HD2 ARG 4 5.570 5.784 -7.182 27 HD3 ARG 4 HD1 ARG 4 7.260 6.027 -7.624 28 HE ARG 4 HE ARG 4 6.093 4.830 -9.814 29 HH11 ARG 4 HH11 ARG 4 5.687 7.815 -8.027 30 HH12 ARG 4 HH12 ARG 4 4.995 8.667 -9.373 31 HH21 ARG 4 HH21 ARG 4 5.179 5.961 -11.582 32 HH22 ARG 4 HH22 ARG 4 4.669 7.612 -11.366 33 H SER 5 HN SER 5 4.095 0.841 -5.910 34 HA SER 5 HA SER 5 5.759 1.280 -3.610 35 HB2 SER 5 HB2 SER 5 3.057 -0.059 -3.795 36 HB3 SER 5 HB1 SER 5 3.835 0.546 -2.332 37 HG SER 5 HG SER 5 3.563 2.618 -3.028 38 H LEU 6 HN LEU 6 5.365 -1.255 -5.808 39 HA LEU 6 HA LEU 6 4.912 -3.550 -4.461 40 HB2 LEU 6 HB2 LEU 6 6.820 -3.056 -6.718 41 HB3 LEU 6 HB1 LEU 6 6.543 -4.666 -6.083 42 HG LEU 6 HG LEU 6 4.447 -2.870 -7.308 43 HD11 LEU 6 HD11 LEU 6 5.735 -5.403 -8.321 44 HD12 LEU 6 HD12 LEU 6 6.021 -3.777 -8.940 45 HD13 LEU 6 HD13 LEU 6 4.429 -4.515 -9.109 46 HD21 LEU 6 HD21 LEU 6 3.560 -4.292 -5.519 47 HD22 LEU 6 HD22 LEU 6 4.248 -5.708 -6.314 48 HD23 LEU 6 HD23 LEU 6 2.970 -4.787 -7.106 49 H GLY 7 HN GLY 7 8.219 -2.210 -4.808 50 HA2 GLY 7 HA2 GLY 7 9.526 -4.240 -3.386 51 HA3 GLY 7 HA1 GLY 7 10.121 -2.601 -3.580 52 H ARG 8 HN ARG 8 8.066 -1.248 -2.210 53 HA ARG 8 HA ARG 8 8.960 -1.791 0.500 54 HB2 ARG 8 HB2 ARG 8 7.411 0.482 -0.735 55 HB3 ARG 8 HB1 ARG 8 7.722 0.363 0.992 56 HG2 ARG 8 HG2 ARG 8 10.096 0.456 0.621 57 HG3 ARG 8 HG1 ARG 8 9.855 0.428 -1.126 58 HD2 ARG 8 HD2 ARG 8 8.751 2.578 0.662 59 HD3 ARG 8 HD1 ARG 8 10.323 2.689 -0.126 60 HE ARG 8 HE ARG 8 8.856 2.266 -2.244 61 HH11 ARG 8 HH11 ARG 8 8.008 4.222 0.544 62 HH12 ARG 8 HH12 ARG 8 7.081 5.357 -0.390 63 HH21 ARG 8 HH21 ARG 8 7.641 3.779 -3.457 64 HH22 ARG 8 HH22 ARG 8 6.846 5.090 -2.643 65 H LYS 9 HN LYS 9 6.142 -2.221 -1.444 66 HA LYS 9 HA LYS 9 4.176 -2.384 0.566 67 HB2 LYS 9 HB2 LYS 9 3.705 -2.306 -1.885 68 HB3 LYS 9 HB1 LYS 9 4.292 -3.959 -2.018 69 HG2 LYS 9 HG2 LYS 9 2.510 -4.648 -0.418 70 HG3 LYS 9 HG1 LYS 9 1.877 -3.004 -0.488 71 HD2 LYS 9 HD2 LYS 9 0.615 -4.395 -1.993 72 HD3 LYS 9 HD1 LYS 9 1.595 -3.276 -2.941 73 HE2 LYS 9 HE2 LYS 9 3.175 -4.979 -3.461 74 HE3 LYS 9 HE1 LYS 9 2.441 -6.094 -2.310 75 HZ1 LYS 9 HZ1 LYS 9 1.842 -6.564 -4.630 76 HZ2 LYS 9 HZ2 LYS 9 1.080 -5.051 -4.739 77 HZ3 LYS 9 HZ3 LYS 9 0.491 -6.228 -3.664 78 H ILE 10 HN ILE 10 6.658 -4.545 -0.513 79 HA ILE 10 HA ILE 10 5.619 -6.930 0.665 80 HB ILE 10 HB ILE 10 8.442 -6.277 -0.210 81 HG12 ILE 10 HG12 ILE 10 6.839 -6.084 -2.048 82 HG13 ILE 10 HG11 ILE 10 7.858 -7.499 -2.270 83 HG21 ILE 10 HG21 ILE 10 8.416 -8.173 1.311 84 HG22 ILE 10 HG22 ILE 10 8.768 -8.708 -0.331 85 HG23 ILE 10 HG23 ILE 10 7.159 -8.951 0.347 86 HD11 ILE 10 HD11 ILE 10 5.035 -7.505 -1.233 87 HD12 ILE 10 HD12 ILE 10 6.056 -8.928 -1.441 88 HD13 ILE 10 HD13 ILE 10 5.557 -7.984 -2.846 89 H LEU 11 HN LEU 11 7.271 -4.206 1.902 90 HA LEU 11 HA LEU 11 8.865 -5.492 3.866 91 HB2 LEU 11 HB2 LEU 11 7.929 -2.631 3.717 92 HB3 LEU 11 HB1 LEU 11 9.182 -3.231 4.786 93 HG LEU 11 HG LEU 11 9.301 -3.160 1.768 94 HD11 LEU 11 HD11 LEU 11 10.792 -1.584 3.861 95 HD12 LEU 11 HD12 LEU 11 9.540 -0.970 2.782 96 HD13 LEU 11 HD13 LEU 11 11.080 -1.519 2.120 97 HD21 LEU 11 HD21 LEU 11 11.309 -4.146 3.787 98 HD22 LEU 11 HD22 LEU 11 11.643 -3.883 2.075 99 HD23 LEU 11 HD23 LEU 11 10.471 -5.106 2.569 100 H ARG 12 HN ARG 12 5.524 -4.716 3.797 101 HA ARG 12 HA ARG 12 5.327 -4.570 6.681 102 HB2 ARG 12 HB2 ARG 12 2.886 -4.322 6.289 103 HB3 ARG 12 HB1 ARG 12 3.865 -3.105 5.486 104 HG2 ARG 12 HG2 ARG 12 3.617 -4.295 3.370 105 HG3 ARG 12 HG1 ARG 12 2.662 -5.536 4.181 106 HD2 ARG 12 HD2 ARG 12 1.930 -2.619 4.047 107 HD3 ARG 12 HD1 ARG 12 1.293 -3.863 2.975 108 HE ARG 12 HE ARG 12 0.778 -4.759 5.531 109 HH11 ARG 12 HH11 ARG 12 0.031 -1.828 3.750 110 HH12 ARG 12 HH12 ARG 12 -1.542 -1.647 4.466 111 HH21 ARG 12 HH21 ARG 12 -1.294 -4.504 6.475 112 HH22 ARG 12 HH22 ARG 12 -2.297 -3.163 6.009 113 H ALA 13 HN ALA 13 4.417 -6.828 4.116 114 HA ALA 13 HA ALA 13 3.658 -8.989 4.137 115 HB1 ALA 13 HB1 ALA 13 5.659 -9.171 6.389 116 HB2 ALA 13 HB2 ALA 13 6.044 -9.215 4.668 117 HB3 ALA 13 HB3 ALA 13 5.077 -10.502 5.391 118 H TRP 14 HN TRP 14 1.543 -8.391 4.849 119 HA TRP 14 HA TRP 14 0.654 -8.413 7.496 120 HB2 TRP 14 HB2 TRP 14 -1.459 -9.409 5.930 121 HB3 TRP 14 HB1 TRP 14 -1.164 -7.730 6.373 122 HD1 TRP 14 HD1 TRP 14 -0.305 -6.104 4.517 123 HE1 TRP 14 HE1 TRP 14 0.018 -6.313 1.973 124 HE3 TRP 14 HE3 TRP 14 -0.793 -11.170 4.044 125 HZ2 TRP 14 HZ2 TRP 14 0.086 -8.358 0.036 126 HZ3 TRP 14 HZ3 TRP 14 -0.579 -12.170 1.809 127 HH2 TRP 14 HH2 TRP 14 -0.152 -10.787 -0.156 128 H LYS 15 HN LYS 15 0.046 -10.999 5.141 129 HA LYS 15 HA LYS 15 -0.195 -12.964 7.272 130 HB2 LYS 15 HB2 LYS 15 -0.446 -13.273 4.275 131 HB3 LYS 15 HB1 LYS 15 -0.847 -14.495 5.471 132 HG2 LYS 15 HG2 LYS 15 -2.793 -13.478 6.065 133 HG3 LYS 15 HG1 LYS 15 -2.213 -11.866 5.634 134 HD2 LYS 15 HD2 LYS 15 -3.923 -12.671 4.062 135 HD3 LYS 15 HD1 LYS 15 -2.358 -12.408 3.279 136 HE2 LYS 15 HE2 LYS 15 -3.448 -14.497 2.542 137 HE3 LYS 15 HE1 LYS 15 -1.894 -14.781 3.323 138 HZ1 LYS 15 HZ1 LYS 15 -3.567 -16.367 4.057 139 HZ2 LYS 15 HZ2 LYS 15 -4.556 -15.106 4.604 140 HZ3 LYS 15 HZ3 LYS 15 -3.063 -15.394 5.349 141 H LYS 16 HN LYS 16 2.206 -11.667 5.381 142 HA LYS 16 HA LYS 16 4.345 -12.211 4.892 143 HB2 LYS 16 HB2 LYS 16 4.374 -13.231 7.192 144 HB3 LYS 16 HB1 LYS 16 3.928 -14.765 6.461 145 HG2 LYS 16 HG2 LYS 16 6.310 -14.671 6.910 146 HG3 LYS 16 HG1 LYS 16 6.002 -14.768 5.176 147 HD2 LYS 16 HD2 LYS 16 6.319 -12.320 5.019 148 HD3 LYS 16 HD1 LYS 16 6.709 -12.281 6.740 149 HE2 LYS 16 HE2 LYS 16 8.223 -13.752 4.585 150 HE3 LYS 16 HE1 LYS 16 8.741 -12.283 5.410 151 HZ1 LYS 16 HZ1 LYS 16 8.719 -13.560 7.507 152 HZ2 LYS 16 HZ2 LYS 16 9.838 -14.160 6.381 153 HZ3 LYS 16 HZ3 LYS 16 8.368 -14.969 6.624 154 H TYR 17 HN TYR 17 1.867 -13.142 3.506 155 HA TYR 17 HA TYR 17 1.490 -13.819 1.388 156 HB2 TYR 17 HB2 TYR 17 4.441 -14.467 1.233 157 HB3 TYR 17 HB1 TYR 17 3.343 -14.148 -0.112 158 HD1 TYR 17 HD1 TYR 17 2.194 -11.833 -0.142 159 HD2 TYR 17 HD2 TYR 17 5.647 -12.701 2.181 160 HE1 TYR 17 HE1 TYR 17 2.643 -9.428 0.082 161 HE2 TYR 17 HE2 TYR 17 6.112 -10.299 2.402 162 HH TYR 17 HH TYR 17 5.588 -8.218 1.401 163 H GLY 18 HN GLY 18 1.574 -15.636 3.756 164 HA2 GLY 18 HA2 GLY 18 1.307 -18.104 2.170 165 HA3 GLY 18 HA1 GLY 18 1.832 -18.109 3.851 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 2.503 4.862 -3.372 2 H2 GLY 1 HT2 GLY 1 1.836 4.913 -1.812 3 H3 GLY 1 HT3 GLY 1 0.865 5.248 -3.163 4 HA2 GLY 1 HA1 GLY 1 2.105 2.635 -2.515 5 HA3 GLY 1 HA2 GLY 1 0.405 3.045 -2.335 6 H GLY 2 HN GLY 2 0.968 0.890 -3.839 7 HA2 GLY 2 HA2 GLY 2 -0.397 0.557 -5.886 8 HA3 GLY 2 HA1 GLY 2 0.496 1.905 -6.575 9 H LEU 3 HN LEU 3 1.059 0.533 -8.324 10 HA LEU 3 HA LEU 3 2.330 -1.957 -7.963 11 HB2 LEU 3 HB2 LEU 3 2.919 -1.742 -10.385 12 HB3 LEU 3 HB1 LEU 3 1.218 -1.583 -10.008 13 HG LEU 3 HG LEU 3 1.780 0.999 -10.052 14 HD11 LEU 3 HD11 LEU 3 3.432 1.518 -11.787 15 HD12 LEU 3 HD12 LEU 3 3.904 -0.180 -11.834 16 HD13 LEU 3 HD13 LEU 3 4.169 0.769 -10.371 17 HD21 LEU 3 HD21 LEU 3 1.131 1.034 -12.405 18 HD22 LEU 3 HD22 LEU 3 0.174 -0.131 -11.490 19 HD23 LEU 3 HD23 LEU 3 1.484 -0.689 -12.531 20 H ARG 4 HN ARG 4 3.638 1.298 -8.215 21 HA ARG 4 HA ARG 4 6.332 0.410 -8.611 22 HB2 ARG 4 HB2 ARG 4 6.990 2.694 -8.399 23 HB3 ARG 4 HB1 ARG 4 5.499 2.657 -9.319 24 HG2 ARG 4 HG2 ARG 4 5.645 3.298 -6.381 25 HG3 ARG 4 HG1 ARG 4 5.663 4.510 -7.660 26 HD2 ARG 4 HD2 ARG 4 3.446 2.568 -7.017 27 HD3 ARG 4 HD1 ARG 4 3.433 4.313 -6.774 28 HE ARG 4 HE ARG 4 3.904 3.768 -9.490 29 HH11 ARG 4 HH11 ARG 4 1.354 3.692 -7.097 30 HH12 ARG 4 HH12 ARG 4 0.075 3.748 -8.271 31 HH21 ARG 4 HH21 ARG 4 2.232 3.872 -11.045 32 HH22 ARG 4 HH22 ARG 4 0.568 3.849 -10.518 33 H SER 5 HN SER 5 4.279 0.785 -5.932 34 HA SER 5 HA SER 5 6.347 0.970 -3.943 35 HB2 SER 5 HB2 SER 5 3.403 0.385 -3.594 36 HB3 SER 5 HB1 SER 5 4.532 0.913 -2.344 37 HG SER 5 HG SER 5 4.848 2.836 -3.677 38 H LEU 6 HN LEU 6 5.065 -1.512 -5.792 39 HA LEU 6 HA LEU 6 4.254 -3.568 -4.280 40 HB2 LEU 6 HB2 LEU 6 4.806 -3.326 -6.847 41 HB3 LEU 6 HB1 LEU 6 6.257 -4.196 -6.403 42 HG LEU 6 HG LEU 6 4.475 -5.651 -7.309 43 HD11 LEU 6 HD11 LEU 6 5.108 -6.194 -4.416 44 HD12 LEU 6 HD12 LEU 6 6.154 -6.567 -5.785 45 HD13 LEU 6 HD13 LEU 6 4.596 -7.378 -5.617 46 HD21 LEU 6 HD21 LEU 6 2.503 -6.119 -5.939 47 HD22 LEU 6 HD22 LEU 6 2.547 -4.443 -6.480 48 HD23 LEU 6 HD23 LEU 6 2.984 -4.845 -4.821 49 H GLY 7 HN GLY 7 7.734 -3.129 -5.039 50 HA2 GLY 7 HA2 GLY 7 8.702 -5.248 -3.521 51 HA3 GLY 7 HA1 GLY 7 9.611 -3.793 -3.888 52 H ARG 8 HN ARG 8 8.375 -1.856 -2.516 53 HA ARG 8 HA ARG 8 9.203 -2.287 0.165 54 HB2 ARG 8 HB2 ARG 8 9.176 -0.078 -1.025 55 HB3 ARG 8 HB1 ARG 8 7.422 -0.085 -0.907 56 HG2 ARG 8 HG2 ARG 8 7.819 1.131 0.939 57 HG3 ARG 8 HG1 ARG 8 8.058 -0.453 1.680 58 HD2 ARG 8 HD2 ARG 8 10.188 1.390 0.598 59 HD3 ARG 8 HD1 ARG 8 9.879 1.009 2.290 60 HE ARG 8 HE ARG 8 10.494 -1.293 0.673 61 HH11 ARG 8 HH11 ARG 8 11.831 1.291 2.619 62 HH12 ARG 8 HH12 ARG 8 13.350 0.478 2.887 63 HH21 ARG 8 HH21 ARG 8 12.477 -2.373 1.033 64 HH22 ARG 8 HH22 ARG 8 13.700 -1.613 2.003 65 H LYS 9 HN LYS 9 6.147 -2.404 -1.490 66 HA LYS 9 HA LYS 9 4.394 -2.324 0.705 67 HB2 LYS 9 HB2 LYS 9 3.668 -1.906 -1.574 68 HB3 LYS 9 HB1 LYS 9 4.081 -3.545 -2.042 69 HG2 LYS 9 HG2 LYS 9 2.311 -4.435 -0.681 70 HG3 LYS 9 HG1 LYS 9 1.949 -2.830 -0.038 71 HD2 LYS 9 HD2 LYS 9 1.277 -2.061 -2.222 72 HD3 LYS 9 HD1 LYS 9 1.777 -3.585 -2.952 73 HE2 LYS 9 HE2 LYS 9 0.056 -4.770 -1.735 74 HE3 LYS 9 HE1 LYS 9 -0.404 -3.289 -0.893 75 HZ1 LYS 9 HZ1 LYS 9 -1.215 -2.349 -2.875 76 HZ2 LYS 9 HZ2 LYS 9 -1.823 -3.935 -2.851 77 HZ3 LYS 9 HZ3 LYS 9 -0.505 -3.543 -3.844 78 H ILE 10 HN ILE 10 6.027 -5.018 -0.894 79 HA ILE 10 HA ILE 10 4.642 -7.076 0.497 80 HB ILE 10 HB ILE 10 7.382 -7.179 -0.783 81 HG12 ILE 10 HG12 ILE 10 5.646 -6.524 -2.391 82 HG13 ILE 10 HG11 ILE 10 6.231 -8.150 -2.726 83 HG21 ILE 10 HG21 ILE 10 5.516 -9.413 0.011 84 HG22 ILE 10 HG22 ILE 10 7.057 -9.015 0.767 85 HG23 ILE 10 HG23 ILE 10 7.016 -9.607 -0.892 86 HD11 ILE 10 HD11 ILE 10 3.831 -8.028 -2.989 87 HD12 ILE 10 HD12 ILE 10 3.660 -7.441 -1.333 88 HD13 ILE 10 HD13 ILE 10 4.248 -9.078 -1.635 89 H LEU 11 HN LEU 11 7.449 -5.135 1.210 90 HA LEU 11 HA LEU 11 8.830 -6.804 2.944 91 HB2 LEU 11 HB2 LEU 11 9.755 -4.751 1.990 92 HB3 LEU 11 HB1 LEU 11 8.684 -3.793 2.997 93 HG LEU 11 HG LEU 11 9.811 -4.748 5.010 94 HD11 LEU 11 HD11 LEU 11 10.658 -6.797 3.973 95 HD12 LEU 11 HD12 LEU 11 11.944 -5.874 4.744 96 HD13 LEU 11 HD13 LEU 11 11.764 -5.838 2.991 97 HD21 LEU 11 HD21 LEU 11 11.831 -3.393 4.797 98 HD22 LEU 11 HD22 LEU 11 10.422 -2.558 4.142 99 HD23 LEU 11 HD23 LEU 11 11.591 -3.307 3.053 100 H ARG 12 HN ARG 12 6.096 -4.689 3.653 101 HA ARG 12 HA ARG 12 6.477 -4.670 6.462 102 HB2 ARG 12 HB2 ARG 12 4.135 -3.846 6.571 103 HB3 ARG 12 HB1 ARG 12 5.161 -2.931 5.479 104 HG2 ARG 12 HG2 ARG 12 4.191 -4.214 3.587 105 HG3 ARG 12 HG1 ARG 12 3.077 -4.971 4.729 106 HD2 ARG 12 HD2 ARG 12 2.085 -3.038 3.539 107 HD3 ARG 12 HD1 ARG 12 2.125 -2.824 5.290 108 HE ARG 12 HE ARG 12 4.451 -1.682 4.328 109 HH11 ARG 12 HH11 ARG 12 1.016 -1.171 3.814 110 HH12 ARG 12 HH12 ARG 12 1.197 0.533 3.552 111 HH21 ARG 12 HH21 ARG 12 4.659 0.557 4.027 112 HH22 ARG 12 HH22 ARG 12 3.251 1.513 3.678 113 H ALA 13 HN ALA 13 5.175 -7.003 4.325 114 HA ALA 13 HA ALA 13 4.340 -9.092 4.625 115 HB1 ALA 13 HB1 ALA 13 6.440 -9.388 5.804 116 HB2 ALA 13 HB2 ALA 13 5.160 -10.339 6.564 117 HB3 ALA 13 HB3 ALA 13 5.693 -8.828 7.300 118 H TRP 14 HN TRP 14 2.213 -7.973 4.639 119 HA TRP 14 HA TRP 14 0.738 -7.588 7.009 120 HB2 TRP 14 HB2 TRP 14 -0.954 -8.462 4.833 121 HB3 TRP 14 HB1 TRP 14 -0.827 -6.867 5.567 122 HD1 TRP 14 HD1 TRP 14 0.698 -5.064 4.339 123 HE1 TRP 14 HE1 TRP 14 1.735 -4.978 1.981 124 HE3 TRP 14 HE3 TRP 14 0.040 -9.942 2.981 125 HZ2 TRP 14 HZ2 TRP 14 2.193 -6.747 -0.172 126 HZ3 TRP 14 HZ3 TRP 14 0.798 -10.666 0.759 127 HH2 TRP 14 HH2 TRP 14 1.854 -9.101 -0.790 128 H LYS 15 HN LYS 15 0.415 -10.245 4.641 129 HA LYS 15 HA LYS 15 -0.155 -12.030 6.905 130 HB2 LYS 15 HB2 LYS 15 -1.352 -13.478 5.323 131 HB3 LYS 15 HB1 LYS 15 -2.047 -11.867 5.398 132 HG2 LYS 15 HG2 LYS 15 -1.959 -11.831 3.183 133 HG3 LYS 15 HG1 LYS 15 -0.203 -11.738 3.320 134 HD2 LYS 15 HD2 LYS 15 -0.969 -13.564 1.830 135 HD3 LYS 15 HD1 LYS 15 -0.023 -14.142 3.205 136 HE2 LYS 15 HE2 LYS 15 -2.077 -14.736 4.377 137 HE3 LYS 15 HE1 LYS 15 -3.035 -14.137 3.024 138 HZ1 LYS 15 HZ1 LYS 15 -1.022 -16.273 2.666 139 HZ2 LYS 15 HZ2 LYS 15 -2.335 -15.880 1.666 140 HZ3 LYS 15 HZ3 LYS 15 -2.602 -16.627 3.162 141 H LYS 16 HN LYS 16 2.106 -11.226 4.591 142 HA LYS 16 HA LYS 16 4.092 -12.116 3.935 143 HB2 LYS 16 HB2 LYS 16 4.419 -11.932 6.386 144 HB3 LYS 16 HB1 LYS 16 3.853 -13.585 6.569 145 HG2 LYS 16 HG2 LYS 16 6.225 -13.616 6.680 146 HG3 LYS 16 HG1 LYS 16 5.759 -14.316 5.130 147 HD2 LYS 16 HD2 LYS 16 6.153 -12.074 4.098 148 HD3 LYS 16 HD1 LYS 16 6.811 -11.540 5.645 149 HE2 LYS 16 HE2 LYS 16 7.869 -13.715 3.849 150 HE3 LYS 16 HE1 LYS 16 8.636 -12.175 4.230 151 HZ1 LYS 16 HZ1 LYS 16 9.696 -13.823 5.528 152 HZ2 LYS 16 HZ2 LYS 16 8.225 -14.492 6.037 153 HZ3 LYS 16 HZ3 LYS 16 8.699 -12.962 6.599 154 H TYR 17 HN TYR 17 2.524 -13.290 2.352 155 HA TYR 17 HA TYR 17 2.260 -15.063 0.971 156 HB2 TYR 17 HB2 TYR 17 4.429 -16.412 2.590 157 HB3 TYR 17 HB1 TYR 17 3.892 -16.860 0.975 158 HD1 TYR 17 HD1 TYR 17 4.264 -15.173 -0.918 159 HD2 TYR 17 HD2 TYR 17 6.132 -14.840 2.894 160 HE1 TYR 17 HE1 TYR 17 5.975 -13.692 -1.886 161 HE2 TYR 17 HE2 TYR 17 7.840 -13.363 1.933 162 HH TYR 17 HH TYR 17 8.840 -12.911 -0.265 163 H GLY 18 HN GLY 18 3.113 -16.832 3.926 164 HA2 GLY 18 HA2 GLY 18 0.375 -17.843 4.112 165 HA3 GLY 18 HA1 GLY 18 1.675 -19.010 3.895 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 -0.832 1.317 -1.167 2 H2 GLY 1 HT2 GLY 1 0.578 2.060 -0.602 3 H3 GLY 1 HT3 GLY 1 -0.396 1.176 0.468 4 HA2 GLY 1 HA1 GLY 1 1.430 -0.210 -0.009 5 HA3 GLY 1 HA2 GLY 1 0.071 -0.838 -0.932 6 H GLY 2 HN GLY 2 -0.073 0.820 -3.053 7 HA2 GLY 2 HA2 GLY 2 0.968 1.834 -4.848 8 HA3 GLY 2 HA1 GLY 2 2.510 1.608 -4.046 9 H LEU 3 HN LEU 3 1.689 1.208 -6.851 10 HA LEU 3 HA LEU 3 1.820 -1.598 -7.378 11 HB2 LEU 3 HB2 LEU 3 2.238 0.820 -9.126 12 HB3 LEU 3 HB1 LEU 3 2.426 -0.814 -9.727 13 HG LEU 3 HG LEU 3 0.024 -1.223 -8.998 14 HD11 LEU 3 HD11 LEU 3 -0.185 0.699 -7.491 15 HD12 LEU 3 HD12 LEU 3 -1.413 0.714 -8.757 16 HD13 LEU 3 HD13 LEU 3 -0.019 1.787 -8.870 17 HD21 LEU 3 HD21 LEU 3 -0.894 -0.169 -11.005 18 HD22 LEU 3 HD22 LEU 3 0.662 -0.937 -11.322 19 HD23 LEU 3 HD23 LEU 3 0.564 0.815 -11.149 20 H ARG 4 HN ARG 4 4.200 1.011 -7.950 21 HA ARG 4 HA ARG 4 6.354 -0.902 -8.136 22 HB2 ARG 4 HB2 ARG 4 7.810 0.937 -8.545 23 HB3 ARG 4 HB1 ARG 4 6.318 1.280 -9.406 24 HG2 ARG 4 HG2 ARG 4 6.589 2.371 -6.664 25 HG3 ARG 4 HG1 ARG 4 7.574 3.097 -7.935 26 HD2 ARG 4 HD2 ARG 4 4.590 2.721 -8.117 27 HD3 ARG 4 HD1 ARG 4 5.363 4.204 -7.557 28 HE ARG 4 HE ARG 4 5.990 3.138 -10.227 29 HH11 ARG 4 HH11 ARG 4 4.647 5.660 -8.201 30 HH12 ARG 4 HH12 ARG 4 4.553 6.821 -9.497 31 HH21 ARG 4 HH21 ARG 4 5.886 4.641 -11.912 32 HH22 ARG 4 HH22 ARG 4 5.268 6.238 -11.614 33 H SER 5 HN SER 5 4.786 0.847 -5.727 34 HA SER 5 HA SER 5 6.831 0.944 -3.770 35 HB2 SER 5 HB2 SER 5 3.858 0.958 -3.268 36 HB3 SER 5 HB1 SER 5 5.129 1.706 -2.298 37 HG SER 5 HG SER 5 4.734 3.418 -3.452 38 H LEU 6 HN LEU 6 5.076 -1.576 -5.071 39 HA LEU 6 HA LEU 6 4.174 -3.309 -3.248 40 HB2 LEU 6 HB2 LEU 6 4.195 -3.845 -5.575 41 HB3 LEU 6 HB1 LEU 6 5.945 -3.879 -5.613 42 HG LEU 6 HG LEU 6 5.859 -5.883 -4.098 43 HD11 LEU 6 HD11 LEU 6 3.629 -5.544 -3.184 44 HD12 LEU 6 HD12 LEU 6 3.766 -7.121 -3.962 45 HD13 LEU 6 HD13 LEU 6 2.926 -5.803 -4.781 46 HD21 LEU 6 HD21 LEU 6 6.231 -6.085 -6.497 47 HD22 LEU 6 HD22 LEU 6 4.490 -6.122 -6.774 48 HD23 LEU 6 HD23 LEU 6 5.272 -7.433 -5.889 49 H GLY 7 HN GLY 7 7.665 -2.924 -3.944 50 HA2 GLY 7 HA2 GLY 7 8.611 -4.997 -2.328 51 HA3 GLY 7 HA1 GLY 7 9.514 -3.547 -2.735 52 H ARG 8 HN ARG 8 7.612 -1.752 -1.453 53 HA ARG 8 HA ARG 8 8.508 -2.128 1.293 54 HB2 ARG 8 HB2 ARG 8 7.271 0.188 -0.187 55 HB3 ARG 8 HB1 ARG 8 7.479 0.197 1.559 56 HG2 ARG 8 HG2 ARG 8 9.853 0.037 1.346 57 HG3 ARG 8 HG1 ARG 8 9.727 -0.211 -0.396 58 HD2 ARG 8 HD2 ARG 8 8.751 2.274 0.999 59 HD3 ARG 8 HD1 ARG 8 10.375 2.112 0.332 60 HE ARG 8 HE ARG 8 8.980 1.529 -1.811 61 HH11 ARG 8 HH11 ARG 8 8.318 4.032 0.559 62 HH12 ARG 8 HH12 ARG 8 7.589 5.099 -0.604 63 HH21 ARG 8 HH21 ARG 8 8.030 2.924 -3.322 64 HH22 ARG 8 HH22 ARG 8 7.416 4.471 -2.801 65 H LYS 9 HN LYS 9 5.617 -2.296 -0.629 66 HA LYS 9 HA LYS 9 3.708 -2.231 1.450 67 HB2 LYS 9 HB2 LYS 9 3.044 -2.058 -0.889 68 HB3 LYS 9 HB1 LYS 9 3.617 -3.692 -1.196 69 HG2 LYS 9 HG2 LYS 9 1.912 -4.626 0.200 70 HG3 LYS 9 HG1 LYS 9 1.403 -3.024 0.732 71 HD2 LYS 9 HD2 LYS 9 -0.110 -3.976 -0.963 72 HD3 LYS 9 HD1 LYS 9 0.656 -2.486 -1.513 73 HE2 LYS 9 HE2 LYS 9 2.252 -3.757 -2.818 74 HE3 LYS 9 HE1 LYS 9 1.578 -5.270 -2.217 75 HZ1 LYS 9 HZ1 LYS 9 0.845 -4.460 -4.503 76 HZ2 LYS 9 HZ2 LYS 9 -0.099 -3.317 -3.675 77 HZ3 LYS 9 HZ3 LYS 9 -0.367 -4.974 -3.432 78 H ILE 10 HN ILE 10 5.618 -4.850 0.029 79 HA ILE 10 HA ILE 10 4.502 -6.973 1.551 80 HB ILE 10 HB ILE 10 7.308 -6.799 0.429 81 HG12 ILE 10 HG12 ILE 10 5.599 -6.346 -1.304 82 HG13 ILE 10 HG11 ILE 10 6.468 -7.851 -1.587 83 HG21 ILE 10 HG21 ILE 10 7.196 -9.242 0.362 84 HG22 ILE 10 HG22 ILE 10 5.599 -9.189 1.107 85 HG23 ILE 10 HG23 ILE 10 7.009 -8.624 2.003 86 HD11 ILE 10 HD11 ILE 10 4.576 -9.106 -0.703 87 HD12 ILE 10 HD12 ILE 10 4.101 -8.084 -2.059 88 HD13 ILE 10 HD13 ILE 10 3.710 -7.597 -0.408 89 H LEU 11 HN LEU 11 6.913 -4.571 2.191 90 HA LEU 11 HA LEU 11 8.566 -5.880 3.996 91 HB2 LEU 11 HB2 LEU 11 8.698 -3.555 2.777 92 HB3 LEU 11 HB1 LEU 11 8.007 -2.959 4.270 93 HG LEU 11 HG LEU 11 10.494 -2.763 4.119 94 HD11 LEU 11 HD11 LEU 11 9.430 -4.500 6.335 95 HD12 LEU 11 HD12 LEU 11 9.422 -2.737 6.284 96 HD13 LEU 11 HD13 LEU 11 10.952 -3.611 6.373 97 HD21 LEU 11 HD21 LEU 11 11.838 -4.781 4.449 98 HD22 LEU 11 HD22 LEU 11 10.958 -4.819 2.920 99 HD23 LEU 11 HD23 LEU 11 10.385 -5.768 4.292 100 H ARG 12 HN ARG 12 5.583 -4.039 4.633 101 HA ARG 12 HA ARG 12 5.917 -4.056 7.461 102 HB2 ARG 12 HB2 ARG 12 3.602 -3.284 7.589 103 HB3 ARG 12 HB1 ARG 12 4.509 -2.379 6.387 104 HG2 ARG 12 HG2 ARG 12 3.425 -3.465 4.600 105 HG3 ARG 12 HG1 ARG 12 2.758 -4.707 5.663 106 HD2 ARG 12 HD2 ARG 12 2.073 -1.778 5.814 107 HD3 ARG 12 HD1 ARG 12 1.105 -2.986 4.970 108 HE ARG 12 HE ARG 12 1.037 -4.106 7.282 109 HH11 ARG 12 HH11 ARG 12 1.208 -0.633 6.820 110 HH12 ARG 12 HH12 ARG 12 0.261 -0.277 8.237 111 HH21 ARG 12 HH21 ARG 12 -0.178 -3.640 9.151 112 HH22 ARG 12 HH22 ARG 12 -0.489 -1.984 9.582 113 H ALA 13 HN ALA 13 4.817 -6.385 5.233 114 HA ALA 13 HA ALA 13 4.032 -8.493 5.425 115 HB1 ALA 13 HB1 ALA 13 6.035 -8.722 6.827 116 HB2 ALA 13 HB2 ALA 13 4.732 -9.798 7.334 117 HB3 ALA 13 HB3 ALA 13 5.068 -8.327 8.249 118 H TRP 14 HN TRP 14 1.844 -7.797 5.189 119 HA TRP 14 HA TRP 14 0.154 -7.546 7.491 120 HB2 TRP 14 HB2 TRP 14 -1.347 -8.398 5.206 121 HB3 TRP 14 HB1 TRP 14 -1.308 -6.806 5.959 122 HD1 TRP 14 HD1 TRP 14 -0.114 -4.897 4.660 123 HE1 TRP 14 HE1 TRP 14 1.115 -4.749 2.407 124 HE3 TRP 14 HE3 TRP 14 0.227 -9.880 3.587 125 HZ2 TRP 14 HZ2 TRP 14 2.091 -6.508 0.433 126 HZ3 TRP 14 HZ3 TRP 14 1.323 -10.564 1.500 127 HH2 TRP 14 HH2 TRP 14 2.236 -8.914 -0.045 128 H LYS 15 HN LYS 15 -0.077 -9.995 4.914 129 HA LYS 15 HA LYS 15 -0.224 -12.037 7.019 130 HB2 LYS 15 HB2 LYS 15 -1.333 -13.468 5.215 131 HB3 LYS 15 HB1 LYS 15 -2.283 -12.177 5.920 132 HG2 LYS 15 HG2 LYS 15 -2.741 -12.189 3.610 133 HG3 LYS 15 HG1 LYS 15 -1.713 -10.788 3.904 134 HD2 LYS 15 HD2 LYS 15 0.147 -11.809 2.914 135 HD3 LYS 15 HD1 LYS 15 -0.568 -13.419 3.027 136 HE2 LYS 15 HE2 LYS 15 -1.730 -11.225 1.326 137 HE3 LYS 15 HE1 LYS 15 -0.536 -12.375 0.724 138 HZ1 LYS 15 HZ1 LYS 15 -2.020 -14.178 1.160 139 HZ2 LYS 15 HZ2 LYS 15 -2.860 -13.020 0.244 140 HZ3 LYS 15 HZ3 LYS 15 -3.147 -13.155 1.911 141 H LYS 16 HN LYS 16 2.009 -10.717 5.410 142 HA LYS 16 HA LYS 16 4.111 -11.274 4.774 143 HB2 LYS 16 HB2 LYS 16 3.850 -12.444 7.019 144 HB3 LYS 16 HB1 LYS 16 3.598 -13.926 6.109 145 HG2 LYS 16 HG2 LYS 16 5.893 -13.752 6.869 146 HG3 LYS 16 HG1 LYS 16 5.813 -13.692 5.108 147 HD2 LYS 16 HD2 LYS 16 6.193 -11.355 5.077 148 HD3 LYS 16 HD1 LYS 16 5.923 -11.218 6.816 149 HE2 LYS 16 HE2 LYS 16 8.213 -12.680 5.503 150 HE3 LYS 16 HE1 LYS 16 8.307 -11.083 6.247 151 HZ1 LYS 16 HZ1 LYS 16 7.581 -12.143 8.353 152 HZ2 LYS 16 HZ2 LYS 16 9.092 -12.681 7.807 153 HZ3 LYS 16 HZ3 LYS 16 7.722 -13.659 7.603 154 H TYR 17 HN TYR 17 2.628 -11.453 2.682 155 HA TYR 17 HA TYR 17 2.194 -12.383 0.668 156 HB2 TYR 17 HB2 TYR 17 4.183 -13.280 -0.494 157 HB3 TYR 17 HB1 TYR 17 4.495 -11.771 0.345 158 HD1 TYR 17 HD1 TYR 17 6.131 -11.643 2.081 159 HD2 TYR 17 HD2 TYR 17 5.099 -15.414 0.395 160 HE1 TYR 17 HE1 TYR 17 8.084 -12.660 3.172 161 HE2 TYR 17 HE2 TYR 17 7.044 -16.441 1.486 162 HH TYR 17 HH TYR 17 8.816 -14.913 3.925 163 H GLY 18 HN GLY 18 1.388 -14.101 2.891 164 HA2 GLY 18 HA2 GLY 18 1.639 -16.740 1.612 165 HA3 GLY 18 HA1 GLY 18 1.253 -16.474 3.307
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