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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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644891 |
6obw ![]() ![]() |
30593 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 HT1 GLU 1 3.411 1.941 6.927 2 H2 GLU 1 HT2 GLU 1 1.981 1.512 6.117 3 H3 GLU 1 HT3 GLU 1 3.379 0.567 5.928 4 HA GLU 1 HA GLU 1 1.448 0.648 8.077 5 HB2 GLU 1 HB2 GLU 1 1.784 -1.263 6.396 6 HB3 GLU 1 HB1 GLU 1 3.393 -1.542 7.151 7 HG2 GLU 1 HG2 GLU 1 2.300 -2.030 9.356 8 HG3 GLU 1 HG1 GLU 1 0.675 -1.722 8.624 9 H MET 2 HN MET 2 5.012 0.648 7.617 10 HA MET 2 HA MET 2 5.201 0.890 10.534 11 HB2 MET 2 HB2 MET 2 7.178 -0.559 8.672 12 HB3 MET 2 HB1 MET 2 7.443 -0.248 10.424 13 HG2 MET 2 HG2 MET 2 5.462 -1.643 10.988 14 HG3 MET 2 HG1 MET 2 5.162 -1.941 9.247 15 HE1 MET 2 HE1 MET 2 6.209 -5.429 10.450 16 HE2 MET 2 HE2 MET 2 5.064 -4.436 9.482 17 HE3 MET 2 HE3 MET 2 5.207 -4.172 11.255 18 H ARG 3 HN ARG 3 6.745 2.442 11.259 19 HA ARG 3 HA ARG 3 7.341 4.386 9.205 20 HB2 ARG 3 HB2 ARG 3 6.577 5.179 11.490 21 HB3 ARG 3 HB1 ARG 3 8.064 4.445 12.192 22 HG2 ARG 3 HG2 ARG 3 9.510 5.989 11.006 23 HG3 ARG 3 HG1 ARG 3 8.160 6.582 9.978 24 HD2 ARG 3 HD2 ARG 3 8.671 8.254 11.755 25 HD3 ARG 3 HD1 ARG 3 7.044 7.514 12.098 26 HE ARG 3 HE ARG 3 9.128 6.000 13.434 27 HH11 ARG 3 HH11 ARG 3 7.362 9.092 13.482 28 HH12 ARG 3 HH12 ARG 3 7.504 9.326 15.192 29 HH21 ARG 3 HH21 ARG 3 9.323 6.316 15.761 30 HH22 ARG 3 HH22 ARG 3 8.640 7.719 16.509 31 H LEU 4 HN LEU 4 8.834 1.584 10.469 32 HA LEU 4 HA LEU 4 11.457 2.448 10.662 33 HB2 LEU 4 HB2 LEU 4 10.775 0.130 11.336 34 HB3 LEU 4 HB1 LEU 4 10.472 -0.267 9.606 35 HG LEU 4 HG LEU 4 12.845 0.136 9.055 36 HD11 LEU 4 HD11 LEU 4 13.133 0.799 12.052 37 HD12 LEU 4 HD12 LEU 4 13.451 1.881 10.641 38 HD13 LEU 4 HD13 LEU 4 14.524 0.460 10.952 39 HD21 LEU 4 HD21 LEU 4 12.574 -2.142 9.486 40 HD22 LEU 4 HD22 LEU 4 12.102 -1.885 11.209 41 HD23 LEU 4 HD23 LEU 4 13.831 -1.730 10.714 42 H SER 5 HN SER 5 9.455 1.582 7.779 43 HA SER 5 HA SER 5 11.715 1.883 6.044 44 HB2 SER 5 HB2 SER 5 8.688 1.945 5.429 45 HB3 SER 5 HB1 SER 5 9.996 1.930 4.179 46 HG SER 5 HG SER 5 8.860 -0.105 5.349 47 H LYS 6 HN LYS 6 12.339 3.946 7.248 48 HA LYS 6 HA LYS 6 11.073 6.198 5.885 49 HB2 LYS 6 HB2 LYS 6 10.136 6.472 8.096 50 HB3 LYS 6 HB1 LYS 6 11.630 5.812 8.858 51 HG2 LYS 6 HG2 LYS 6 11.248 8.329 9.163 52 HG3 LYS 6 HG1 LYS 6 12.854 7.856 8.519 53 HD2 LYS 6 HD2 LYS 6 11.745 8.285 6.149 54 HD3 LYS 6 HD1 LYS 6 10.507 9.190 7.078 55 HE2 LYS 6 HE2 LYS 6 11.913 10.996 6.926 56 HE3 LYS 6 HE1 LYS 6 12.968 10.154 8.129 57 H PHE 7 HN PHE 7 13.649 5.157 8.115 58 HA PHE 7 HA PHE 7 15.449 7.111 7.598 59 HB2 PHE 7 HB2 PHE 7 15.928 4.141 8.049 60 HB3 PHE 7 HB1 PHE 7 17.122 5.450 8.387 61 HD1 PHE 7 HD1 PHE 7 14.403 3.501 9.528 62 HD2 PHE 7 HD2 PHE 7 16.493 7.147 10.128 63 HE1 PHE 7 HE1 PHE 7 13.439 3.683 11.759 64 HE2 PHE 7 HE2 PHE 7 15.520 7.323 12.366 65 HZ PHE 7 HZ PHE 7 14.002 5.580 13.138 66 H PHE 8 HN PHE 8 14.910 4.011 5.731 67 HA PHE 8 HA PHE 8 16.921 5.011 3.914 68 HB2 PHE 8 HB2 PHE 8 16.469 2.726 2.700 69 HB3 PHE 8 HB1 PHE 8 17.434 2.732 4.223 70 HD1 PHE 8 HD1 PHE 8 14.230 1.869 2.676 71 HD2 PHE 8 HD2 PHE 8 16.533 1.893 6.242 72 HE1 PHE 8 HE1 PHE 8 12.662 0.307 3.707 73 HE2 PHE 8 HE2 PHE 8 14.968 0.337 7.265 74 HZ PHE 8 HZ PHE 8 13.029 -0.469 6.004 75 H ARG 9 HN ARG 9 13.498 4.934 4.341 76 HA ARG 9 HA ARG 9 12.793 4.812 1.614 77 HB2 ARG 9 HB2 ARG 9 11.131 4.516 3.491 78 HB3 ARG 9 HB1 ARG 9 11.356 6.252 3.898 79 HG2 ARG 9 HG2 ARG 9 10.647 5.596 1.033 80 HG3 ARG 9 HG1 ARG 9 9.369 5.350 2.288 81 HD2 ARG 9 HD2 ARG 9 9.813 7.753 3.083 82 HD3 ARG 9 HD1 ARG 9 10.891 7.945 1.633 83 HE ARG 9 HE ARG 9 8.366 6.907 0.743 84 HH11 ARG 9 HH11 ARG 9 9.824 9.802 2.217 85 HH12 ARG 9 HH12 ARG 9 8.699 10.916 1.516 86 HH21 ARG 9 HH21 ARG 9 6.832 8.423 -0.213 87 HH22 ARG 9 HH22 ARG 9 6.968 10.118 0.112 88 H ASN 10 HN ASN 10 13.724 7.420 3.892 89 HA ASN 10 HA ASN 10 13.136 9.519 2.158 90 HB2 ASN 10 HB2 ASN 10 15.281 9.264 4.349 91 HB3 ASN 10 HB1 ASN 10 14.922 10.806 3.485 92 HD21 ASN 10 HD21 ASN 10 14.463 9.503 6.400 93 H PHE 11 HN PHE 11 16.001 7.334 2.464 94 HA PHE 11 HA PHE 11 17.517 8.794 0.575 95 HB2 PHE 11 HB2 PHE 11 17.646 5.928 1.663 96 HB3 PHE 11 HB1 PHE 11 18.634 6.389 0.219 97 HD1 PHE 11 HD1 PHE 11 18.586 6.208 3.730 98 HD2 PHE 11 HD2 PHE 11 20.002 8.597 0.514 99 HE1 PHE 11 HE1 PHE 11 20.316 7.146 5.186 100 HE2 PHE 11 HE2 PHE 11 21.726 9.533 1.971 101 HZ PHE 11 HZ PHE 11 21.891 8.810 4.310 102 H ILE 12 HN ILE 12 15.462 5.778 0.359 103 HA ILE 12 HA ILE 12 14.095 6.485 -1.855 104 HB ILE 12 HB ILE 12 16.099 6.555 -3.242 105 HG12 ILE 12 HG12 ILE 12 15.672 4.600 -4.799 106 HG13 ILE 12 HG11 ILE 12 14.518 3.952 -3.587 107 HG21 ILE 12 HG21 ILE 12 17.543 5.238 -1.622 108 HG22 ILE 12 HG22 ILE 12 17.711 4.680 -3.326 109 HG23 ILE 12 HG23 ILE 12 16.721 3.726 -2.160 110 HD11 ILE 12 HD11 ILE 12 13.927 5.791 -5.672 111 HD12 ILE 12 HD12 ILE 12 13.962 6.808 -4.183 112 HD13 ILE 12 HD13 ILE 12 12.865 5.378 -4.274 113 H LEU 13 HN LEU 13 12.488 4.965 -2.131 114 HA LEU 13 HA LEU 13 13.003 2.393 -0.828 115 HB2 LEU 13 HB2 LEU 13 11.382 3.772 0.520 116 HB3 LEU 13 HB1 LEU 13 10.371 3.983 -0.950 117 HG LEU 13 HG LEU 13 10.039 1.504 -1.062 118 HD11 LEU 13 HD11 LEU 13 10.615 0.509 1.477 119 HD12 LEU 13 HD12 LEU 13 12.046 1.559 1.157 120 HD13 LEU 13 HD13 LEU 13 11.618 0.241 0.002 121 HD21 LEU 13 HD21 LEU 13 9.225 2.837 1.597 122 HD22 LEU 13 HD22 LEU 13 8.485 1.341 0.910 123 HD23 LEU 13 HD23 LEU 13 8.332 2.909 0.031 124 H GLN 14 HN GLN 14 12.916 0.735 -2.284 125 HA GLN 14 HA GLN 14 10.989 0.961 -4.429 126 HB2 GLN 14 HB2 GLN 14 14.002 0.532 -4.879 127 HB3 GLN 14 HB1 GLN 14 12.751 0.061 -6.084 128 HG2 GLN 14 HG2 GLN 14 12.024 2.391 -6.356 129 HG3 GLN 14 HG1 GLN 14 13.103 2.931 -5.011 130 HE21 GLN 14 HE21 GLN 14 13.140 3.748 -7.895 131 HE22 GLN 14 HE22 GLN 14 14.720 3.357 -8.483 132 H ARG 15 HN ARG 15 10.039 -0.569 -2.891 133 HA ARG 15 HA ARG 15 11.431 -2.884 -2.191 134 HB2 ARG 15 HB2 ARG 15 8.416 -2.348 -2.386 135 HB3 ARG 15 HB1 ARG 15 9.107 -3.878 -1.743 136 HG2 ARG 15 HG2 ARG 15 9.709 -1.087 -0.590 137 HG3 ARG 15 HG1 ARG 15 8.433 -2.190 0.031 138 HD2 ARG 15 HD2 ARG 15 10.235 -3.949 0.479 139 HD3 ARG 15 HD1 ARG 15 11.485 -2.720 -0.010 140 HE ARG 15 HE ARG 15 9.768 -1.534 1.968 141 HH11 ARG 15 HH11 ARG 15 12.179 -4.121 1.553 142 HH12 ARG 15 HH12 ARG 15 12.767 -4.048 3.180 143 HH21 ARG 15 HH21 ARG 15 10.568 -1.431 4.186 144 HH22 ARG 15 HH22 ARG 15 11.834 -2.495 4.701 145 H LYS 16 HN LYS 16 9.391 -1.993 -4.998 146 HA LYS 16 HA LYS 16 9.465 -4.720 -5.947 147 HB2 LYS 16 HB2 LYS 16 8.463 -2.172 -7.344 148 HB3 LYS 16 HB1 LYS 16 8.226 -3.855 -7.932 149 HG2 LYS 16 HG2 LYS 16 7.111 -2.715 -5.294 150 HG3 LYS 16 HG1 LYS 16 6.185 -2.913 -6.821 151 HD2 LYS 16 HD2 LYS 16 6.614 -5.393 -6.736 152 HD3 LYS 16 HD1 LYS 16 7.494 -5.176 -5.184 153 HE2 LYS 16 HE2 LYS 16 5.400 -4.272 -4.120 154 HE3 LYS 16 HE1 LYS 16 4.514 -4.505 -5.685 155 HZ1 LYS 16 HZ1 LYS 16 4.878 -6.332 -3.670 156 HZ2 LYS 16 HZ2 LYS 16 5.907 -6.860 -4.913 157 HZ3 LYS 16 HZ3 LYS 16 4.255 -6.615 -5.223 158 H LYS 17 HN LYS 17 11.726 -2.273 -5.764 159 HA LYS 17 HA LYS 17 13.571 -1.791 -6.896 160 HB2 LYS 17 HB2 LYS 17 13.121 -4.555 -8.172 161 HB3 LYS 17 HB1 LYS 17 14.614 -3.574 -8.384 162 HG2 LYS 17 HG2 LYS 17 15.015 -3.636 -5.918 163 HG3 LYS 17 HG1 LYS 17 13.523 -4.613 -5.696 164 HD2 LYS 17 HD2 LYS 17 14.496 -6.423 -7.128 165 HD3 LYS 17 HD1 LYS 17 15.988 -5.444 -7.352 166 HE2 LYS 17 HE2 LYS 17 16.432 -5.538 -4.882 167 HE3 LYS 17 HE1 LYS 17 14.921 -6.514 -4.650 168 HZ1 LYS 17 HZ1 LYS 17 17.489 -7.360 -5.401 169 HZ2 LYS 17 HZ2 LYS 17 16.418 -7.710 -6.671 170 HZ3 LYS 17 HZ3 LYS 17 16.094 -8.282 -5.105 Start of MODEL 2 1 H1 GLU 1 HT1 GLU 1 1.773 0.262 5.599 2 H2 GLU 1 HT2 GLU 1 3.231 -0.519 5.216 3 H3 GLU 1 HT3 GLU 1 3.230 0.799 6.289 4 HA GLU 1 HA GLU 1 1.508 -0.799 7.501 5 HB2 GLU 1 HB2 GLU 1 1.892 -2.626 5.839 6 HB3 GLU 1 HB1 GLU 1 3.655 -2.560 6.178 7 HG2 GLU 1 HG2 GLU 1 2.664 -4.491 7.364 8 HG3 GLU 1 HG1 GLU 1 3.189 -3.264 8.584 9 H MET 2 HN MET 2 5.026 -0.342 6.832 10 HA MET 2 HA MET 2 5.342 -0.067 9.735 11 HB2 MET 2 HB2 MET 2 7.308 -1.326 7.731 12 HB3 MET 2 HB1 MET 2 7.743 -0.872 9.416 13 HG2 MET 2 HG2 MET 2 5.875 -2.421 10.223 14 HG3 MET 2 HG1 MET 2 5.689 -2.976 8.529 15 HE1 MET 2 HE1 MET 2 8.596 -4.994 7.561 16 HE2 MET 2 HE2 MET 2 8.721 -3.216 7.327 17 HE3 MET 2 HE3 MET 2 7.130 -4.035 7.160 18 H ARG 3 HN ARG 3 6.520 1.763 10.377 19 HA ARG 3 HA ARG 3 6.965 3.640 8.207 20 HB2 ARG 3 HB2 ARG 3 5.898 4.348 10.471 21 HB3 ARG 3 HB1 ARG 3 7.536 4.112 11.184 22 HG2 ARG 3 HG2 ARG 3 8.495 5.836 9.707 23 HG3 ARG 3 HG1 ARG 3 6.945 5.994 8.813 24 HD2 ARG 3 HD2 ARG 3 7.299 6.634 11.826 25 HD3 ARG 3 HD1 ARG 3 7.286 7.863 10.485 26 HE ARG 3 HE ARG 3 4.922 6.287 10.210 27 HH11 ARG 3 HH11 ARG 3 6.476 8.509 12.517 28 HH12 ARG 3 HH12 ARG 3 4.993 9.120 13.168 29 HH21 ARG 3 HH21 ARG 3 2.901 7.119 11.091 30 HH22 ARG 3 HH22 ARG 3 2.924 8.316 12.342 31 H LEU 4 HN LEU 4 8.709 1.177 9.777 32 HA LEU 4 HA LEU 4 11.171 2.343 10.186 33 HB2 LEU 4 HB2 LEU 4 10.184 -0.297 10.228 34 HB3 LEU 4 HB1 LEU 4 11.368 -0.326 8.875 35 HG LEU 4 HG LEU 4 12.448 -0.978 10.972 36 HD11 LEU 4 HD11 LEU 4 14.397 0.462 10.883 37 HD12 LEU 4 HD12 LEU 4 13.431 1.852 10.257 38 HD13 LEU 4 HD13 LEU 4 13.707 0.405 9.216 39 HD21 LEU 4 HD21 LEU 4 12.051 1.804 12.174 40 HD22 LEU 4 HD22 LEU 4 12.453 0.243 12.985 41 HD23 LEU 4 HD23 LEU 4 10.779 0.542 12.380 42 H SER 5 HN SER 5 9.508 1.460 7.139 43 HA SER 5 HA SER 5 11.919 1.898 5.623 44 HB2 SER 5 HB2 SER 5 8.967 1.636 4.760 45 HB3 SER 5 HB1 SER 5 10.348 1.835 3.607 46 HG SER 5 HG SER 5 9.583 -0.355 4.117 47 H LYS 6 HN LYS 6 12.207 4.004 6.904 48 HA LYS 6 HA LYS 6 10.929 6.131 5.370 49 HB2 LYS 6 HB2 LYS 6 9.639 6.306 7.403 50 HB3 LYS 6 HB1 LYS 6 11.046 5.775 8.395 51 HG2 LYS 6 HG2 LYS 6 10.398 8.236 8.637 52 HG3 LYS 6 HG1 LYS 6 12.120 7.924 8.242 53 HD2 LYS 6 HD2 LYS 6 11.346 8.286 5.734 54 HD3 LYS 6 HD1 LYS 6 9.900 9.053 6.466 55 HE2 LYS 6 HE2 LYS 6 11.131 10.987 6.529 56 HE3 LYS 6 HE1 LYS 6 12.059 10.233 7.885 57 H PHE 7 HN PHE 7 13.239 5.318 7.959 58 HA PHE 7 HA PHE 7 14.897 7.442 7.705 59 HB2 PHE 7 HB2 PHE 7 15.583 4.524 8.216 60 HB3 PHE 7 HB1 PHE 7 16.598 5.931 8.713 61 HD1 PHE 7 HD1 PHE 7 13.903 3.754 9.451 62 HD2 PHE 7 HD2 PHE 7 15.621 7.525 10.371 63 HE1 PHE 7 HE1 PHE 7 12.631 3.822 11.527 64 HE2 PHE 7 HE2 PHE 7 14.340 7.589 12.454 65 HZ PHE 7 HZ PHE 7 12.861 5.729 12.991 66 H PHE 8 HN PHE 8 14.933 4.329 5.778 67 HA PHE 8 HA PHE 8 17.080 5.539 4.272 68 HB2 PHE 8 HB2 PHE 8 17.043 3.258 2.995 69 HB3 PHE 8 HB1 PHE 8 17.733 3.301 4.660 70 HD1 PHE 8 HD1 PHE 8 14.901 2.242 2.586 71 HD2 PHE 8 HD2 PHE 8 16.610 2.300 6.471 72 HE1 PHE 8 HE1 PHE 8 13.335 0.513 3.307 73 HE2 PHE 8 HE2 PHE 8 15.048 0.580 7.186 74 HZ PHE 8 HZ PHE 8 13.407 -0.327 5.610 75 H ARG 9 HN ARG 9 13.653 5.156 4.198 76 HA ARG 9 HA ARG 9 13.373 5.028 1.395 77 HB2 ARG 9 HB2 ARG 9 11.484 4.552 3.011 78 HB3 ARG 9 HB1 ARG 9 11.482 6.299 3.435 79 HG2 ARG 9 HG2 ARG 9 11.288 5.602 0.499 80 HG3 ARG 9 HG1 ARG 9 9.860 5.224 1.542 81 HD2 ARG 9 HD2 ARG 9 9.937 7.649 2.382 82 HD3 ARG 9 HD1 ARG 9 11.214 7.959 1.126 83 HE ARG 9 HE ARG 9 8.965 6.696 -0.149 84 HH11 ARG 9 HH11 ARG 9 9.927 9.708 1.489 85 HH12 ARG 9 HH12 ARG 9 8.840 10.722 0.600 86 HH21 ARG 9 HH21 ARG 9 7.485 8.073 -1.362 87 HH22 ARG 9 HH22 ARG 9 7.427 9.775 -1.049 88 H ASN 10 HN ASN 10 13.716 7.658 3.808 89 HA ASN 10 HA ASN 10 13.212 9.734 2.020 90 HB2 ASN 10 HB2 ASN 10 15.009 9.623 4.514 91 HB3 ASN 10 HB1 ASN 10 14.655 11.145 3.613 92 HD21 ASN 10 HD21 ASN 10 13.860 9.732 6.410 93 H PHE 11 HN PHE 11 16.184 7.802 2.744 94 HA PHE 11 HA PHE 11 17.836 9.427 1.132 95 HB2 PHE 11 HB2 PHE 11 18.031 6.545 2.161 96 HB3 PHE 11 HB1 PHE 11 19.174 7.120 0.883 97 HD1 PHE 11 HD1 PHE 11 18.700 6.771 4.330 98 HD2 PHE 11 HD2 PHE 11 20.265 9.462 1.437 99 HE1 PHE 11 HE1 PHE 11 20.130 7.781 6.041 100 HE2 PHE 11 HE2 PHE 11 21.691 10.469 3.149 101 HZ PHE 11 HZ PHE 11 21.630 9.632 5.455 102 H ILE 12 HN ILE 12 16.101 6.267 0.529 103 HA ILE 12 HA ILE 12 15.011 6.944 -1.838 104 HB ILE 12 HB ILE 12 17.255 7.226 -2.823 105 HG12 ILE 12 HG12 ILE 12 16.064 4.561 -3.737 106 HG13 ILE 12 HG11 ILE 12 15.324 6.161 -4.104 107 HG21 ILE 12 HG21 ILE 12 18.995 5.640 -2.616 108 HG22 ILE 12 HG22 ILE 12 17.863 4.281 -2.264 109 HG23 ILE 12 HG23 ILE 12 18.212 5.515 -0.996 110 HD11 ILE 12 HD11 ILE 12 17.968 6.597 -4.843 111 HD12 ILE 12 HD12 ILE 12 16.647 6.105 -5.970 112 HD13 ILE 12 HD13 ILE 12 17.749 4.858 -5.272 113 H LEU 13 HN LEU 13 13.625 5.299 -2.438 114 HA LEU 13 HA LEU 13 14.223 2.685 -1.266 115 HB2 LEU 13 HB2 LEU 13 12.373 3.953 0.018 116 HB3 LEU 13 HB1 LEU 13 11.418 3.914 -1.502 117 HG LEU 13 HG LEU 13 12.532 1.274 -0.626 118 HD11 LEU 13 HD11 LEU 13 10.330 2.671 1.021 119 HD12 LEU 13 HD12 LEU 13 11.969 2.186 1.600 120 HD13 LEU 13 HD13 LEU 13 10.769 0.923 1.128 121 HD21 LEU 13 HD21 LEU 13 10.527 2.218 -2.405 122 HD22 LEU 13 HD22 LEU 13 9.612 1.451 -1.053 123 HD23 LEU 13 HD23 LEU 13 10.858 0.505 -1.949 124 H GLN 14 HN GLN 14 14.349 1.161 -2.859 125 HA GLN 14 HA GLN 14 12.664 1.613 -5.205 126 HB2 GLN 14 HB2 GLN 14 15.635 0.809 -5.195 127 HB3 GLN 14 HB1 GLN 14 14.551 0.600 -6.619 128 HG2 GLN 14 HG2 GLN 14 14.190 3.024 -6.795 129 HG3 GLN 14 HG1 GLN 14 15.087 3.312 -5.253 130 HE21 GLN 14 HE21 GLN 14 15.687 4.264 -8.060 131 HE22 GLN 14 HE22 GLN 14 17.289 3.712 -8.407 132 H ARG 15 HN ARG 15 12.444 0.106 -2.681 133 HA ARG 15 HA ARG 15 13.182 -2.540 -3.145 134 HB2 ARG 15 HB2 ARG 15 10.906 -1.419 -1.421 135 HB3 ARG 15 HB1 ARG 15 11.410 -3.144 -1.421 136 HG2 ARG 15 HG2 ARG 15 13.277 -0.801 -0.712 137 HG3 ARG 15 HG1 ARG 15 12.351 -1.761 0.492 138 HD2 ARG 15 HD2 ARG 15 13.542 -3.864 -0.325 139 HD3 ARG 15 HD1 ARG 15 14.546 -2.816 -1.422 140 HE ARG 15 HE ARG 15 14.675 -1.738 1.241 141 HH11 ARG 15 HH11 ARG 15 15.629 -4.588 -0.669 142 HH12 ARG 15 HH12 ARG 15 17.048 -4.931 0.264 143 HH21 ARG 15 HH21 ARG 15 16.603 -2.203 2.511 144 HH22 ARG 15 HH22 ARG 15 17.610 -3.551 2.104 145 H LYS 16 HN LYS 16 10.276 -0.603 -3.903 146 HA LYS 16 HA LYS 16 8.623 -0.930 -5.314 147 HB2 LYS 16 HB2 LYS 16 10.132 -3.378 -6.397 148 HB3 LYS 16 HB1 LYS 16 8.707 -2.596 -7.163 149 HG2 LYS 16 HG2 LYS 16 11.444 -1.263 -6.692 150 HG3 LYS 16 HG1 LYS 16 10.871 -1.957 -8.246 151 HD2 LYS 16 HD2 LYS 16 8.958 -0.320 -8.250 152 HD3 LYS 16 HD1 LYS 16 9.577 0.389 -6.718 153 HE2 LYS 16 HE2 LYS 16 11.719 1.027 -7.876 154 HE3 LYS 16 HE1 LYS 16 11.082 0.322 -9.421 155 HZ1 LYS 16 HZ1 LYS 16 10.545 2.834 -8.189 156 HZ2 LYS 16 HZ2 LYS 16 9.109 1.990 -8.523 157 HZ3 LYS 16 HZ3 LYS 16 10.224 2.295 -9.767 158 H LYS 17 HN LYS 17 9.416 -4.451 -4.992 159 HA LYS 17 HA LYS 17 7.445 -4.746 -2.963 160 HB2 LYS 17 HB2 LYS 17 5.875 -6.207 -4.213 161 HB3 LYS 17 HB1 LYS 17 5.891 -4.559 -4.931 162 HG2 LYS 17 HG2 LYS 17 7.478 -5.349 -6.706 163 HG3 LYS 17 HG1 LYS 17 7.441 -7.001 -5.999 164 HD2 LYS 17 HD2 LYS 17 4.977 -7.125 -6.418 165 HD3 LYS 17 HD1 LYS 17 5.012 -5.471 -7.122 166 HE2 LYS 17 HE2 LYS 17 6.553 -6.271 -8.939 167 HE3 LYS 17 HE1 LYS 17 6.528 -7.937 -8.223 168 HZ1 LYS 17 HZ1 LYS 17 4.761 -8.277 -9.446 169 HZ2 LYS 17 HZ2 LYS 17 4.642 -6.646 -9.908 170 HZ3 LYS 17 HZ3 LYS 17 3.896 -7.182 -8.479 Start of MODEL 3 1 H1 GLU 1 HT1 GLU 1 3.629 2.278 7.953 2 H2 GLU 1 HT2 GLU 1 2.095 3.004 7.943 3 H3 GLU 1 HT3 GLU 1 2.243 1.333 7.680 4 HA GLU 1 HA GLU 1 2.346 2.864 10.140 5 HB2 GLU 1 HB2 GLU 1 0.398 1.396 9.471 6 HB3 GLU 1 HB1 GLU 1 1.509 -0.018 9.470 7 HG2 GLU 1 HG2 GLU 1 1.933 0.277 11.923 8 HG3 GLU 1 HG1 GLU 1 0.861 1.734 11.941 9 H MET 2 HN MET 2 3.975 0.049 8.562 10 HA MET 2 HA MET 2 5.366 -0.722 10.878 11 HB2 MET 2 HB2 MET 2 6.036 -1.087 7.903 12 HB3 MET 2 HB1 MET 2 7.008 -1.813 9.232 13 HG2 MET 2 HG2 MET 2 4.871 -2.950 10.054 14 HG3 MET 2 HG1 MET 2 4.060 -2.369 8.566 15 HE1 MET 2 HE1 MET 2 4.457 -2.821 6.399 16 HE2 MET 2 HE2 MET 2 5.342 -4.199 5.659 17 HE3 MET 2 HE3 MET 2 6.235 -2.720 6.154 18 H ARG 3 HN ARG 3 6.034 1.606 8.212 19 HA ARG 3 HA ARG 3 7.421 3.344 8.145 20 HB2 ARG 3 HB2 ARG 3 6.915 3.513 10.725 21 HB3 ARG 3 HB1 ARG 3 8.522 2.729 10.912 22 HG2 ARG 3 HG2 ARG 3 9.607 4.576 9.642 23 HG3 ARG 3 HG1 ARG 3 8.010 5.355 9.378 24 HD2 ARG 3 HD2 ARG 3 7.759 5.624 11.903 25 HD3 ARG 3 HD1 ARG 3 9.436 4.939 12.100 26 HE ARG 3 HE ARG 3 9.561 7.080 10.194 27 HH11 ARG 3 HH11 ARG 3 8.864 6.458 13.630 28 HH12 ARG 3 HH12 ARG 3 9.424 8.000 14.184 29 HH21 ARG 3 HH21 ARG 3 10.325 9.180 10.945 30 HH22 ARG 3 HH22 ARG 3 10.269 9.575 12.630 31 H LEU 4 HN LEU 4 8.230 0.173 8.241 32 HA LEU 4 HA LEU 4 11.010 0.323 8.565 33 HB2 LEU 4 HB2 LEU 4 9.291 -1.796 8.222 34 HB3 LEU 4 HB1 LEU 4 9.937 -1.653 6.549 35 HG LEU 4 HG LEU 4 11.235 -3.262 7.919 36 HD11 LEU 4 HD11 LEU 4 13.403 -2.585 7.198 37 HD12 LEU 4 HD12 LEU 4 13.052 -0.832 7.454 38 HD13 LEU 4 HD13 LEU 4 12.287 -1.716 6.078 39 HD21 LEU 4 HD21 LEU 4 11.847 -2.876 10.068 40 HD22 LEU 4 HD22 LEU 4 10.947 -1.312 9.996 41 HD23 LEU 4 HD23 LEU 4 12.709 -1.358 9.612 42 H SER 5 HN SER 5 8.787 0.914 5.804 43 HA SER 5 HA SER 5 11.022 1.247 4.025 44 HB2 SER 5 HB2 SER 5 9.201 2.263 2.464 45 HB3 SER 5 HB1 SER 5 8.959 0.529 2.916 46 HG SER 5 HG SER 5 7.767 2.826 4.095 47 H LYS 6 HN LYS 6 12.003 2.715 5.800 48 HA LYS 6 HA LYS 6 11.214 5.444 5.130 49 HB2 LYS 6 HB2 LYS 6 10.261 5.186 7.372 50 HB3 LYS 6 HB1 LYS 6 11.715 4.261 7.906 51 HG2 LYS 6 HG2 LYS 6 11.539 6.705 8.740 52 HG3 LYS 6 HG1 LYS 6 13.096 6.224 7.986 53 HD2 LYS 6 HD2 LYS 6 12.016 7.189 5.761 54 HD3 LYS 6 HD1 LYS 6 10.877 8.014 6.871 55 HE2 LYS 6 HE2 LYS 6 12.424 9.642 7.283 56 HE3 LYS 6 HE1 LYS 6 13.614 8.405 7.855 57 H PHE 7 HN PHE 7 13.523 3.329 6.856 58 HA PHE 7 HA PHE 7 15.650 4.976 6.940 59 HB2 PHE 7 HB2 PHE 7 15.546 2.018 6.262 60 HB3 PHE 7 HB1 PHE 7 16.997 2.871 6.913 61 HD1 PHE 7 HD1 PHE 7 13.960 1.185 7.575 62 HD2 PHE 7 HD2 PHE 7 16.783 3.916 9.183 63 HE1 PHE 7 HE1 PHE 7 13.111 0.739 9.815 64 HE2 PHE 7 HE2 PHE 7 15.930 3.458 11.430 65 HZ PHE 7 HZ PHE 7 14.100 1.876 11.701 66 H PHE 8 HN PHE 8 14.615 2.918 4.081 67 HA PHE 8 HA PHE 8 16.795 4.187 2.667 68 HB2 PHE 8 HB2 PHE 8 16.004 2.681 0.697 69 HB3 PHE 8 HB1 PHE 8 16.844 1.886 2.082 70 HD1 PHE 8 HD1 PHE 8 13.632 2.405 0.390 71 HD2 PHE 8 HD2 PHE 8 15.679 0.495 3.582 72 HE1 PHE 8 HE1 PHE 8 11.727 0.917 0.729 73 HE2 PHE 8 HE2 PHE 8 13.779 -0.987 3.915 74 HZ PHE 8 HZ PHE 8 11.797 -0.790 2.490 75 H ARG 9 HN ARG 9 13.434 4.590 3.263 76 HA ARG 9 HA ARG 9 12.764 5.656 0.726 77 HB2 ARG 9 HB2 ARG 9 11.145 4.855 2.634 78 HB3 ARG 9 HB1 ARG 9 11.463 6.469 3.359 79 HG2 ARG 9 HG2 ARG 9 10.723 6.430 0.434 80 HG3 ARG 9 HG1 ARG 9 9.431 5.964 1.608 81 HD2 ARG 9 HD2 ARG 9 9.970 8.131 2.901 82 HD3 ARG 9 HD1 ARG 9 11.026 8.597 1.498 83 HE ARG 9 HE ARG 9 8.437 7.821 0.495 84 HH11 ARG 9 HH11 ARG 9 10.074 10.341 2.405 85 HH12 ARG 9 HH12 ARG 9 8.980 11.608 1.961 86 HH21 ARG 9 HH21 ARG 9 6.946 9.544 -0.111 87 HH22 ARG 9 HH22 ARG 9 7.170 11.145 0.506 88 H ASN 10 HN ASN 10 14.397 6.761 3.654 89 HA ASN 10 HA ASN 10 14.126 9.504 3.291 90 HB2 ASN 10 HB2 ASN 10 16.525 7.870 4.341 91 HB3 ASN 10 HB1 ASN 10 16.430 9.663 4.431 92 HD21 ASN 10 HD21 ASN 10 13.274 9.057 4.904 93 H PHE 11 HN PHE 11 16.191 7.001 1.769 94 HA PHE 11 HA PHE 11 17.659 8.946 0.265 95 HB2 PHE 11 HB2 PHE 11 17.432 5.875 0.180 96 HB3 PHE 11 HB1 PHE 11 18.269 6.788 -1.141 97 HD1 PHE 11 HD1 PHE 11 18.640 5.235 2.014 98 HD2 PHE 11 HD2 PHE 11 20.082 8.453 -0.358 99 HE1 PHE 11 HE1 PHE 11 20.698 5.293 3.341 100 HE2 PHE 11 HE2 PHE 11 22.131 8.511 0.969 101 HZ PHE 11 HZ PHE 11 22.450 6.932 2.821 102 H ILE 12 HN ILE 12 15.486 6.189 -0.793 103 HA ILE 12 HA ILE 12 13.861 7.998 -2.265 104 HB ILE 12 HB ILE 12 14.142 6.713 -4.438 105 HG12 ILE 12 HG12 ILE 12 16.851 5.908 -3.225 106 HG13 ILE 12 HG11 ILE 12 15.430 4.806 -3.296 107 HG21 ILE 12 HG21 ILE 12 15.102 9.076 -3.817 108 HG22 ILE 12 HG22 ILE 12 15.782 8.231 -5.259 109 HG23 ILE 12 HG23 ILE 12 16.699 8.244 -3.706 110 HD11 ILE 12 HD11 ILE 12 16.730 4.290 -5.254 111 HD12 ILE 12 HD12 ILE 12 16.995 6.033 -5.641 112 HD13 ILE 12 HD13 ILE 12 15.358 5.301 -5.849 113 H LEU 13 HN LEU 13 12.008 6.780 -3.229 114 HA LEU 13 HA LEU 13 11.595 4.344 -1.681 115 HB2 LEU 13 HB2 LEU 13 9.917 6.211 -1.298 116 HB3 LEU 13 HB1 LEU 13 9.552 6.188 -3.055 117 HG LEU 13 HG LEU 13 8.798 3.813 -2.868 118 HD11 LEU 13 HD11 LEU 13 9.620 2.639 -1.086 119 HD12 LEU 13 HD12 LEU 13 8.236 3.353 -0.177 120 HD13 LEU 13 HD13 LEU 13 9.866 4.120 -0.086 121 HD21 LEU 13 HD21 LEU 13 7.278 5.922 -2.549 122 HD22 LEU 13 HD22 LEU 13 7.256 5.472 -0.801 123 HD23 LEU 13 HD23 LEU 13 6.627 4.317 -2.038 124 H GLN 14 HN GLN 14 11.875 2.497 -2.851 125 HA GLN 14 HA GLN 14 11.021 2.617 -5.657 126 HB2 GLN 14 HB2 GLN 14 13.431 1.136 -4.464 127 HB3 GLN 14 HB1 GLN 14 12.759 0.783 -6.096 128 HG2 GLN 14 HG2 GLN 14 13.306 3.054 -6.885 129 HG3 GLN 14 HG1 GLN 14 13.830 3.546 -5.224 130 HE21 GLN 14 HE21 GLN 14 15.382 3.336 -7.844 131 HE22 GLN 14 HE22 GLN 14 16.728 2.307 -7.489 132 H ARG 15 HN ARG 15 10.888 1.236 -2.504 133 HA ARG 15 HA ARG 15 9.758 -0.437 -1.647 134 HB2 ARG 15 HB2 ARG 15 8.371 -0.703 -4.381 135 HB3 ARG 15 HB1 ARG 15 7.860 -1.534 -2.874 136 HG2 ARG 15 HG2 ARG 15 7.995 1.526 -3.167 137 HG3 ARG 15 HG1 ARG 15 6.521 0.551 -3.494 138 HD2 ARG 15 HD2 ARG 15 6.653 -0.344 -1.091 139 HD3 ARG 15 HD1 ARG 15 8.011 0.830 -0.794 140 HE ARG 15 HE ARG 15 5.807 2.269 -1.948 141 HH11 ARG 15 HH11 ARG 15 6.722 0.460 0.981 142 HH12 ARG 15 HH12 ARG 15 5.721 1.381 2.052 143 HH21 ARG 15 HH21 ARG 15 4.438 3.519 -0.494 144 HH22 ARG 15 HH22 ARG 15 4.396 3.148 1.197 145 H LYS 16 HN LYS 16 12.272 -0.713 -3.462 146 HA LYS 16 HA LYS 16 12.144 -3.247 -4.620 147 HB2 LYS 16 HB2 LYS 16 13.987 -1.604 -5.094 148 HB3 LYS 16 HB1 LYS 16 14.556 -1.785 -3.400 149 HG2 LYS 16 HG2 LYS 16 15.975 -3.130 -4.842 150 HG3 LYS 16 HG1 LYS 16 14.983 -4.231 -3.832 151 HD2 LYS 16 HD2 LYS 16 13.435 -4.634 -5.726 152 HD3 LYS 16 HD1 LYS 16 14.324 -3.444 -6.739 153 HE2 LYS 16 HE2 LYS 16 16.378 -4.890 -6.643 154 HE3 LYS 16 HE1 LYS 16 15.481 -6.087 -5.618 155 HZ1 LYS 16 HZ1 LYS 16 13.938 -6.409 -7.402 156 HZ2 LYS 16 HZ2 LYS 16 15.521 -6.656 -7.964 157 HZ3 LYS 16 HZ3 LYS 16 14.695 -5.226 -8.355 158 H LYS 17 HN LYS 17 13.053 -2.095 -1.329 159 HA LYS 17 HA LYS 17 13.321 -4.895 -0.541 160 HB2 LYS 17 HB2 LYS 17 13.936 -2.283 0.966 161 HB3 LYS 17 HB1 LYS 17 14.107 -3.927 1.679 162 HG2 LYS 17 HG2 LYS 17 15.797 -4.516 -0.068 163 HG3 LYS 17 HG1 LYS 17 15.630 -2.875 -0.784 164 HD2 LYS 17 HD2 LYS 17 16.415 -1.858 1.366 165 HD3 LYS 17 HD1 LYS 17 16.579 -3.498 2.083 166 HE2 LYS 17 HE2 LYS 17 18.312 -4.087 0.362 167 HE3 LYS 17 HE1 LYS 17 18.140 -2.437 -0.371 168 HZ1 LYS 17 HZ1 LYS 17 18.536 -2.155 2.382 169 HZ2 LYS 17 HZ2 LYS 17 19.559 -1.711 1.102 170 HZ3 LYS 17 HZ3 LYS 17 19.696 -3.251 1.805 Start of MODEL 4 1 H1 GLU 1 HT1 GLU 1 3.817 1.364 5.701 2 H2 GLU 1 HT2 GLU 1 2.450 1.009 4.758 3 H3 GLU 1 HT3 GLU 1 3.923 0.223 4.447 4 HA GLU 1 HA GLU 1 1.894 -0.331 6.397 5 HB2 GLU 1 HB2 GLU 1 4.176 -1.892 5.066 6 HB3 GLU 1 HB1 GLU 1 3.062 -2.638 6.268 7 HG2 GLU 1 HG2 GLU 1 1.106 -2.217 4.802 8 HG3 GLU 1 HG1 GLU 1 2.144 -1.325 3.620 9 H MET 2 HN MET 2 5.481 0.088 6.342 10 HA MET 2 HA MET 2 5.341 -0.018 9.270 11 HB2 MET 2 HB2 MET 2 7.615 -1.083 7.488 12 HB3 MET 2 HB1 MET 2 7.687 -0.948 9.282 13 HG2 MET 2 HG2 MET 2 5.795 -2.549 9.495 14 HG3 MET 2 HG1 MET 2 5.687 -2.676 7.710 15 HE1 MET 2 HE1 MET 2 5.770 -5.096 9.533 16 HE2 MET 2 HE2 MET 2 6.934 -6.179 8.694 17 HE3 MET 2 HE3 MET 2 5.776 -5.192 7.737 18 H ARG 3 HN ARG 3 6.639 1.571 10.331 19 HA ARG 3 HA ARG 3 7.269 3.770 8.572 20 HB2 ARG 3 HB2 ARG 3 6.239 4.242 10.842 21 HB3 ARG 3 HB1 ARG 3 7.718 3.551 11.606 22 HG2 ARG 3 HG2 ARG 3 9.127 5.315 10.682 23 HG3 ARG 3 HG1 ARG 3 7.791 5.932 9.652 24 HD2 ARG 3 HD2 ARG 3 8.084 7.401 11.652 25 HD3 ARG 3 HD1 ARG 3 6.496 6.529 11.781 26 HE ARG 3 HE ARG 3 7.368 5.282 13.616 27 HH11 ARG 3 HH11 ARG 3 9.935 7.105 11.934 28 HH12 ARG 3 HH12 ARG 3 11.137 6.828 13.150 29 HH21 ARG 3 HH21 ARG 3 9.004 4.911 15.262 30 HH22 ARG 3 HH22 ARG 3 10.598 5.560 15.072 31 H LEU 4 HN LEU 4 8.885 0.971 9.744 32 HA LEU 4 HA LEU 4 11.400 2.034 10.219 33 HB2 LEU 4 HB2 LEU 4 10.882 -0.382 10.668 34 HB3 LEU 4 HB1 LEU 4 10.747 -0.664 8.895 35 HG LEU 4 HG LEU 4 13.108 -0.004 8.573 36 HD11 LEU 4 HD11 LEU 4 13.430 1.638 10.341 37 HD12 LEU 4 HD12 LEU 4 14.601 0.289 10.625 38 HD13 LEU 4 HD13 LEU 4 13.104 0.411 11.626 39 HD21 LEU 4 HD21 LEU 4 14.069 -1.919 10.288 40 HD22 LEU 4 HD22 LEU 4 13.171 -2.294 8.769 41 HD23 LEU 4 HD23 LEU 4 12.307 -2.302 10.354 42 H SER 5 HN SER 5 9.701 1.215 7.141 43 HA SER 5 HA SER 5 12.033 1.850 5.607 44 HB2 SER 5 HB2 SER 5 9.061 1.620 4.808 45 HB3 SER 5 HB1 SER 5 10.406 1.917 3.636 46 HG SER 5 HG SER 5 9.730 -0.300 3.934 47 H LYS 6 HN LYS 6 12.367 3.857 6.995 48 HA LYS 6 HA LYS 6 10.998 6.086 5.697 49 HB2 LYS 6 HB2 LYS 6 9.887 6.114 7.843 50 HB3 LYS 6 HB1 LYS 6 11.377 5.527 8.670 51 HG2 LYS 6 HG2 LYS 6 10.747 7.974 9.114 52 HG3 LYS 6 HG1 LYS 6 12.432 7.685 8.572 53 HD2 LYS 6 HD2 LYS 6 11.459 8.193 6.153 54 HD3 LYS 6 HD1 LYS 6 10.092 8.931 7.047 55 HE2 LYS 6 HE2 LYS 6 11.355 10.845 7.111 56 HE3 LYS 6 HE1 LYS 6 12.379 10.005 8.342 57 H PHE 7 HN PHE 7 13.483 5.108 8.053 58 HA PHE 7 HA PHE 7 15.137 7.237 7.800 59 HB2 PHE 7 HB2 PHE 7 15.843 4.295 8.114 60 HB3 PHE 7 HB1 PHE 7 16.881 5.677 8.631 61 HD1 PHE 7 HD1 PHE 7 14.316 3.402 9.442 62 HD2 PHE 7 HD2 PHE 7 15.916 7.219 10.386 63 HE1 PHE 7 HE1 PHE 7 13.160 3.353 11.587 64 HE2 PHE 7 HE2 PHE 7 14.757 7.159 12.540 65 HZ PHE 7 HZ PHE 7 13.391 5.220 13.097 66 H PHE 8 HN PHE 8 15.007 4.230 5.720 67 HA PHE 8 HA PHE 8 17.057 5.505 4.136 68 HB2 PHE 8 HB2 PHE 8 16.917 3.298 2.744 69 HB3 PHE 8 HB1 PHE 8 17.718 3.248 4.358 70 HD1 PHE 8 HD1 PHE 8 14.760 2.296 2.420 71 HD2 PHE 8 HD2 PHE 8 16.700 2.168 6.192 72 HE1 PHE 8 HE1 PHE 8 13.236 0.534 3.150 73 HE2 PHE 8 HE2 PHE 8 15.181 0.412 6.917 74 HZ PHE 8 HZ PHE 8 13.445 -0.420 5.401 75 H ARG 9 HN ARG 9 13.626 5.106 4.267 76 HA ARG 9 HA ARG 9 13.150 5.140 1.493 77 HB2 ARG 9 HB2 ARG 9 11.394 4.584 3.238 78 HB3 ARG 9 HB1 ARG 9 11.412 6.316 3.719 79 HG2 ARG 9 HG2 ARG 9 10.996 5.700 0.785 80 HG3 ARG 9 HG1 ARG 9 9.656 5.293 1.928 81 HD2 ARG 9 HD2 ARG 9 9.790 7.695 2.814 82 HD3 ARG 9 HD1 ARG 9 10.972 8.042 1.477 83 HE ARG 9 HE ARG 9 8.639 6.797 0.340 84 HH11 ARG 9 HH11 ARG 9 9.711 9.780 1.966 85 HH12 ARG 9 HH12 ARG 9 8.562 10.808 1.177 86 HH21 ARG 9 HH21 ARG 9 7.075 8.194 -0.735 87 HH22 ARG 9 HH22 ARG 9 7.037 9.890 -0.385 88 H ASN 10 HN ASN 10 13.688 7.641 4.009 89 HA ASN 10 HA ASN 10 13.058 9.810 2.377 90 HB2 ASN 10 HB2 ASN 10 15.043 9.566 4.714 91 HB3 ASN 10 HB1 ASN 10 14.626 11.134 3.926 92 HD21 ASN 10 HD21 ASN 10 14.050 9.586 6.701 93 H PHE 11 HN PHE 11 16.076 7.846 2.770 94 HA PHE 11 HA PHE 11 17.605 9.547 1.117 95 HB2 PHE 11 HB2 PHE 11 17.860 6.610 1.966 96 HB3 PHE 11 HB1 PHE 11 18.917 7.265 0.651 97 HD1 PHE 11 HD1 PHE 11 18.628 6.753 4.115 98 HD2 PHE 11 HD2 PHE 11 20.089 9.529 1.250 99 HE1 PHE 11 HE1 PHE 11 20.167 7.667 5.784 100 HE2 PHE 11 HE2 PHE 11 21.624 10.440 2.919 101 HZ PHE 11 HZ PHE 11 21.670 9.513 5.190 102 H ILE 12 HN ILE 12 15.753 6.474 0.532 103 HA ILE 12 HA ILE 12 14.443 7.208 -1.698 104 HB ILE 12 HB ILE 12 15.767 5.664 -3.387 105 HG12 ILE 12 HG12 ILE 12 18.285 6.937 -2.439 106 HG13 ILE 12 HG11 ILE 12 17.644 5.691 -1.309 107 HG21 ILE 12 HG21 ILE 12 15.386 8.476 -3.067 108 HG22 ILE 12 HG22 ILE 12 15.813 7.582 -4.575 109 HG23 ILE 12 HG23 ILE 12 17.116 8.269 -3.535 110 HD11 ILE 12 HD11 ILE 12 18.995 4.418 -2.796 111 HD12 ILE 12 HD12 ILE 12 18.471 5.365 -4.242 112 HD13 ILE 12 HD13 ILE 12 17.331 4.199 -3.464 113 H LEU 13 HN LEU 13 13.137 5.455 -2.395 114 HA LEU 13 HA LEU 13 13.810 2.916 -1.116 115 HB2 LEU 13 HB2 LEU 13 11.870 4.099 0.066 116 HB3 LEU 13 HB1 LEU 13 10.983 4.066 -1.495 117 HG LEU 13 HG LEU 13 12.070 1.417 -0.673 118 HD11 LEU 13 HD11 LEU 13 10.035 2.871 1.119 119 HD12 LEU 13 HD12 LEU 13 11.591 2.088 1.594 120 HD13 LEU 13 HD13 LEU 13 10.197 1.074 1.061 121 HD21 LEU 13 HD21 LEU 13 9.121 1.996 -1.161 122 HD22 LEU 13 HD22 LEU 13 10.129 0.593 -1.680 123 HD23 LEU 13 HD23 LEU 13 10.275 2.176 -2.534 124 H GLN 14 HN GLN 14 13.973 1.283 -2.597 125 HA GLN 14 HA GLN 14 12.556 1.711 -5.127 126 HB2 GLN 14 HB2 GLN 14 15.386 0.574 -4.695 127 HB3 GLN 14 HB1 GLN 14 14.471 0.436 -6.240 128 HG2 GLN 14 HG2 GLN 14 14.462 2.871 -6.545 129 HG3 GLN 14 HG1 GLN 14 15.179 3.124 -4.903 130 HE21 GLN 14 HE21 GLN 14 16.272 3.867 -7.613 131 HE22 GLN 14 HE22 GLN 14 17.816 3.095 -7.726 132 H ARG 15 HN ARG 15 12.149 0.369 -2.414 133 HA ARG 15 HA ARG 15 12.402 -2.393 -3.097 134 HB2 ARG 15 HB2 ARG 15 11.009 -1.076 -0.700 135 HB3 ARG 15 HB1 ARG 15 11.295 -2.840 -0.893 136 HG2 ARG 15 HG2 ARG 15 13.549 -0.745 -0.807 137 HG3 ARG 15 HG1 ARG 15 12.936 -1.620 0.637 138 HD2 ARG 15 HD2 ARG 15 13.557 -3.823 -0.444 139 HD3 ARG 15 HD1 ARG 15 14.232 -2.915 -1.866 140 HE ARG 15 HE ARG 15 15.400 -3.051 0.875 141 HH11 ARG 15 HH11 ARG 15 15.342 -1.560 -2.366 142 HH12 ARG 15 HH12 ARG 15 16.940 -0.901 -2.257 143 HH21 ARG 15 HH21 ARG 15 17.568 -2.156 1.016 144 HH22 ARG 15 HH22 ARG 15 18.226 -1.247 -0.303 145 H LYS 16 HN LYS 16 11.052 -1.997 -5.148 146 HA LYS 16 HA LYS 16 8.354 -1.321 -4.887 147 HB2 LYS 16 HB2 LYS 16 9.581 -1.310 -7.086 148 HB3 LYS 16 HB1 LYS 16 9.720 -3.098 -6.988 149 HG2 LYS 16 HG2 LYS 16 7.895 -2.544 -8.494 150 HG3 LYS 16 HG1 LYS 16 7.204 -3.268 -7.003 151 HD2 LYS 16 HD2 LYS 16 6.600 -1.017 -6.151 152 HD3 LYS 16 HD1 LYS 16 7.385 -0.243 -7.571 153 HE2 LYS 16 HE2 LYS 16 5.723 -1.349 -9.100 154 HE3 LYS 16 HE1 LYS 16 4.935 -2.132 -7.666 155 HZ1 LYS 16 HZ1 LYS 16 4.478 0.386 -8.726 156 HZ2 LYS 16 HZ2 LYS 16 5.226 0.638 -7.222 157 HZ3 LYS 16 HZ3 LYS 16 3.816 -0.304 -7.322 158 H LYS 17 HN LYS 17 10.134 -4.451 -4.815 159 HA LYS 17 HA LYS 17 7.733 -5.587 -3.592 160 HB2 LYS 17 HB2 LYS 17 9.334 -6.709 -5.947 161 HB3 LYS 17 HB1 LYS 17 8.507 -7.821 -4.799 162 HG2 LYS 17 HG2 LYS 17 7.015 -5.534 -6.200 163 HG3 LYS 17 HG1 LYS 17 7.241 -7.140 -6.974 164 HD2 LYS 17 HD2 LYS 17 6.134 -8.227 -4.987 165 HD3 LYS 17 HD1 LYS 17 5.865 -6.604 -4.266 166 HE2 LYS 17 HE2 LYS 17 4.770 -7.445 -7.032 167 HE3 LYS 17 HE1 LYS 17 3.831 -7.556 -5.486 168 HZ1 LYS 17 HZ1 LYS 17 4.955 -5.012 -5.625 169 HZ2 LYS 17 HZ2 LYS 17 3.321 -5.461 -5.747 170 HZ3 LYS 17 HZ3 LYS 17 4.275 -5.335 -7.146 Start of MODEL 5 1 H1 GLU 1 HT1 GLU 1 2.353 -0.072 8.044 2 H2 GLU 1 HT2 GLU 1 1.538 1.093 7.112 3 H3 GLU 1 HT3 GLU 1 0.745 0.336 8.410 4 HA GLU 1 HA GLU 1 2.300 2.660 8.398 5 HB2 GLU 1 HB2 GLU 1 0.804 1.070 10.558 6 HB3 GLU 1 HB1 GLU 1 1.527 2.689 10.866 7 HG2 GLU 1 HG2 GLU 1 0.061 3.733 9.156 8 HG3 GLU 1 HG1 GLU 1 -0.607 2.117 8.699 9 H MET 2 HN MET 2 4.391 1.144 7.831 10 HA MET 2 HA MET 2 5.606 0.446 10.406 11 HB2 MET 2 HB2 MET 2 5.561 -1.276 8.436 12 HB3 MET 2 HB1 MET 2 6.704 -0.166 7.606 13 HG2 MET 2 HG2 MET 2 8.000 -1.902 8.674 14 HG3 MET 2 HG1 MET 2 8.277 -0.374 9.564 15 HE1 MET 2 HE1 MET 2 9.321 -2.655 10.471 16 HE2 MET 2 HE2 MET 2 8.665 -3.416 11.961 17 HE3 MET 2 HE3 MET 2 9.186 -1.697 11.988 18 H ARG 3 HN ARG 3 6.943 1.994 11.267 19 HA ARG 3 HA ARG 3 7.686 4.177 9.537 20 HB2 ARG 3 HB2 ARG 3 7.066 4.645 11.949 21 HB3 ARG 3 HB1 ARG 3 8.509 3.692 12.458 22 HG2 ARG 3 HG2 ARG 3 10.041 5.279 11.439 23 HG3 ARG 3 HG1 ARG 3 8.706 6.141 10.597 24 HD2 ARG 3 HD2 ARG 3 8.985 5.981 13.685 25 HD3 ARG 3 HD1 ARG 3 9.569 7.371 12.663 26 HE ARG 3 HE ARG 3 6.830 6.885 11.987 27 HH11 ARG 3 HH11 ARG 3 8.852 7.898 14.737 28 HH12 ARG 3 HH12 ARG 3 7.636 8.893 15.465 29 HH21 ARG 3 HH21 ARG 3 5.174 8.239 12.974 30 HH22 ARG 3 HH22 ARG 3 5.508 9.090 14.444 31 H LEU 4 HN LEU 4 9.015 1.097 10.382 32 HA LEU 4 HA LEU 4 11.703 1.783 10.473 33 HB2 LEU 4 HB2 LEU 4 10.919 -0.553 10.960 34 HB3 LEU 4 HB1 LEU 4 10.478 -0.746 9.225 35 HG LEU 4 HG LEU 4 12.830 -0.422 8.548 36 HD11 LEU 4 HD11 LEU 4 13.683 1.094 10.230 37 HD12 LEU 4 HD12 LEU 4 14.638 -0.434 10.376 38 HD13 LEU 4 HD13 LEU 4 13.332 -0.070 11.566 39 HD21 LEU 4 HD21 LEU 4 12.183 -2.726 8.888 40 HD22 LEU 4 HD22 LEU 4 12.336 -2.585 10.681 41 HD23 LEU 4 HD23 LEU 4 13.811 -2.531 9.642 42 H SER 5 HN SER 5 9.444 1.338 7.695 43 HA SER 5 HA SER 5 11.572 1.695 5.812 44 HB2 SER 5 HB2 SER 5 8.519 2.015 5.460 45 HB3 SER 5 HB1 SER 5 9.728 2.012 4.114 46 HG SER 5 HG SER 5 8.530 -0.029 5.271 47 H LYS 6 HN LYS 6 12.421 3.579 7.164 48 HA LYS 6 HA LYS 6 11.179 6.030 6.170 49 HB2 LYS 6 HB2 LYS 6 10.488 6.113 8.482 50 HB3 LYS 6 HB1 LYS 6 12.004 5.295 9.011 51 HG2 LYS 6 HG2 LYS 6 11.817 7.784 9.606 52 HG3 LYS 6 HG1 LYS 6 13.316 7.296 8.754 53 HD2 LYS 6 HD2 LYS 6 12.003 8.033 6.568 54 HD3 LYS 6 HD1 LYS 6 10.932 8.904 7.712 55 HE2 LYS 6 HE2 LYS 6 12.434 10.633 7.577 56 HE3 LYS 6 HE1 LYS 6 13.540 9.615 8.583 57 H PHE 7 HN PHE 7 13.887 4.623 8.000 58 HA PHE 7 HA PHE 7 15.747 6.528 7.497 59 HB2 PHE 7 HB2 PHE 7 16.092 3.507 7.611 60 HB3 PHE 7 HB1 PHE 7 17.378 4.720 7.971 61 HD1 PHE 7 HD1 PHE 7 14.694 2.763 9.163 62 HD2 PHE 7 HD2 PHE 7 16.956 6.279 9.908 63 HE1 PHE 7 HE1 PHE 7 13.928 2.763 11.477 64 HE2 PHE 7 HE2 PHE 7 16.178 6.272 12.229 65 HZ PHE 7 HZ PHE 7 14.669 4.507 12.968 66 H PHE 8 HN PHE 8 14.842 3.662 5.413 67 HA PHE 8 HA PHE 8 16.731 4.729 3.505 68 HB2 PHE 8 HB2 PHE 8 16.011 2.601 2.135 69 HB3 PHE 8 HB1 PHE 8 17.128 2.409 3.537 70 HD1 PHE 8 HD1 PHE 8 13.736 1.859 2.277 71 HD2 PHE 8 HD2 PHE 8 16.392 1.432 5.561 72 HE1 PHE 8 HE1 PHE 8 12.193 0.286 3.329 73 HE2 PHE 8 HE2 PHE 8 14.852 -0.134 6.605 74 HZ PHE 8 HZ PHE 8 12.749 -0.721 5.494 75 H ARG 9 HN ARG 9 13.372 4.804 4.270 76 HA ARG 9 HA ARG 9 12.405 4.993 1.627 77 HB2 ARG 9 HB2 ARG 9 10.926 4.592 3.641 78 HB3 ARG 9 HB1 ARG 9 11.275 6.276 4.164 79 HG2 ARG 9 HG2 ARG 9 10.257 5.891 1.342 80 HG3 ARG 9 HG1 ARG 9 9.099 5.601 2.698 81 HD2 ARG 9 HD2 ARG 9 9.749 7.909 3.626 82 HD3 ARG 9 HD1 ARG 9 10.680 8.171 2.088 83 HE ARG 9 HE ARG 9 8.031 7.322 1.387 84 HH11 ARG 9 HH11 ARG 9 9.758 10.016 2.949 85 HH12 ARG 9 HH12 ARG 9 8.622 11.230 2.465 86 HH21 ARG 9 HH21 ARG 9 6.483 8.972 0.726 87 HH22 ARG 9 HH22 ARG 9 6.727 10.624 1.179 88 H ASN 10 HN ASN 10 13.712 7.297 4.044 89 HA ASN 10 HA ASN 10 13.102 9.595 2.591 90 HB2 ASN 10 HB2 ASN 10 15.422 8.993 4.522 91 HB3 ASN 10 HB1 ASN 10 15.088 10.634 3.851 92 HD21 ASN 10 HD21 ASN 10 14.811 9.047 6.654 93 H PHE 11 HN PHE 11 15.835 7.233 2.396 94 HA PHE 11 HA PHE 11 17.263 8.788 0.519 95 HB2 PHE 11 HB2 PHE 11 17.296 5.827 1.310 96 HB3 PHE 11 HB1 PHE 11 18.152 6.359 -0.192 97 HD1 PHE 11 HD1 PHE 11 18.449 5.883 3.289 98 HD2 PHE 11 HD2 PHE 11 19.727 8.404 0.117 99 HE1 PHE 11 HE1 PHE 11 20.396 6.566 4.612 100 HE2 PHE 11 HE2 PHE 11 21.666 9.085 1.440 101 HZ PHE 11 HZ PHE 11 22.008 8.167 3.689 102 H ILE 12 HN ILE 12 14.982 5.948 0.206 103 HA ILE 12 HA ILE 12 13.455 6.954 -1.763 104 HB ILE 12 HB ILE 12 15.261 7.137 -3.358 105 HG12 ILE 12 HG12 ILE 12 14.682 5.332 -5.044 106 HG13 ILE 12 HG11 ILE 12 13.655 4.561 -3.791 107 HG21 ILE 12 HG21 ILE 12 16.237 4.735 -1.894 108 HG22 ILE 12 HG22 ILE 12 17.148 5.951 -2.863 109 HG23 ILE 12 HG23 ILE 12 16.366 4.549 -3.683 110 HD11 ILE 12 HD11 ILE 12 12.883 6.614 -5.618 111 HD12 ILE 12 HD12 ILE 12 13.029 7.447 -4.024 112 HD13 ILE 12 HD13 ILE 12 11.939 6.018 -4.199 113 H LEU 13 HN LEU 13 11.748 5.542 -2.036 114 HA LEU 13 HA LEU 13 12.280 2.787 -1.201 115 HB2 LEU 13 HB2 LEU 13 10.983 4.013 0.590 116 HB3 LEU 13 HB1 LEU 13 9.761 4.466 -0.647 117 HG LEU 13 HG LEU 13 9.286 2.044 -1.051 118 HD11 LEU 13 HD11 LEU 13 11.607 1.717 0.831 119 HD12 LEU 13 HD12 LEU 13 11.003 0.631 -0.478 120 HD13 LEU 13 HD13 LEU 13 10.202 0.628 1.140 121 HD21 LEU 13 HD21 LEU 13 8.934 3.235 1.751 122 HD22 LEU 13 HD22 LEU 13 8.257 1.616 1.329 123 HD23 LEU 13 HD23 LEU 13 7.731 3.081 0.415 124 H GLN 14 HN GLN 14 11.870 1.403 -2.886 125 HA GLN 14 HA GLN 14 9.743 2.226 -4.719 126 HB2 GLN 14 HB2 GLN 14 12.507 1.134 -5.478 127 HB3 GLN 14 HB1 GLN 14 11.104 1.140 -6.604 128 HG2 GLN 14 HG2 GLN 14 11.006 3.596 -6.593 129 HG3 GLN 14 HG1 GLN 14 12.260 3.686 -5.293 130 HE21 GLN 14 HE21 GLN 14 12.349 4.780 -8.087 131 HE22 GLN 14 HE22 GLN 14 13.738 4.067 -8.833 132 H ARG 15 HN ARG 15 11.826 -0.264 -3.251 133 HA ARG 15 HA ARG 15 11.504 -2.392 -2.848 134 HB2 ARG 15 HB2 ARG 15 8.522 -1.822 -3.330 135 HB3 ARG 15 HB1 ARG 15 9.172 -3.373 -2.698 136 HG2 ARG 15 HG2 ARG 15 9.575 -0.650 -1.324 137 HG3 ARG 15 HG1 ARG 15 8.251 -1.799 -0.928 138 HD2 ARG 15 HD2 ARG 15 10.026 -3.572 -0.394 139 HD3 ARG 15 HD1 ARG 15 11.294 -2.287 -0.621 140 HE ARG 15 HE ARG 15 9.312 -1.290 1.203 141 HH11 ARG 15 HH11 ARG 15 11.806 -3.813 0.904 142 HH12 ARG 15 HH12 ARG 15 12.180 -3.865 2.593 143 HH21 ARG 15 HH21 ARG 15 9.821 -1.357 3.509 144 HH22 ARG 15 HH22 ARG 15 11.030 -2.447 4.098 145 H LYS 16 HN LYS 16 11.873 -1.247 -5.645 146 HA LYS 16 HA LYS 16 10.461 -2.851 -7.432 147 HB2 LYS 16 HB2 LYS 16 11.766 -0.825 -8.140 148 HB3 LYS 16 HB1 LYS 16 13.286 -1.671 -7.692 149 HG2 LYS 16 HG2 LYS 16 13.007 -1.790 -10.105 150 HG3 LYS 16 HG1 LYS 16 12.785 -3.435 -9.420 151 HD2 LYS 16 HD2 LYS 16 10.323 -3.216 -9.592 152 HD3 LYS 16 HD1 LYS 16 10.487 -1.519 -10.163 153 HE2 LYS 16 HE2 LYS 16 11.687 -2.321 -12.221 154 HE3 LYS 16 HE1 LYS 16 11.527 -4.032 -11.641 155 HZ1 LYS 16 HZ1 LYS 16 9.035 -3.371 -11.502 156 HZ2 LYS 16 HZ2 LYS 16 9.739 -3.808 -12.985 157 HZ3 LYS 16 HZ3 LYS 16 9.474 -2.171 -12.620 158 H LYS 17 HN LYS 17 13.596 -3.291 -5.708 159 HA LYS 17 HA LYS 17 13.787 -5.939 -6.890 160 HB2 LYS 17 HB2 LYS 17 15.886 -4.549 -6.718 161 HB3 LYS 17 HB1 LYS 17 15.654 -4.464 -4.936 162 HG2 LYS 17 HG2 LYS 17 15.884 -6.939 -4.771 163 HG3 LYS 17 HG1 LYS 17 16.073 -7.051 -6.555 164 HD2 LYS 17 HD2 LYS 17 18.155 -5.698 -6.442 165 HD3 LYS 17 HD1 LYS 17 17.949 -5.492 -4.669 166 HE2 LYS 17 HE2 LYS 17 19.619 -7.274 -5.134 167 HE3 LYS 17 HE1 LYS 17 18.139 -8.013 -4.390 168 HZ1 LYS 17 HZ1 LYS 17 19.339 -8.771 -6.694 169 HZ2 LYS 17 HZ2 LYS 17 18.024 -7.854 -7.254 170 HZ3 LYS 17 HZ3 LYS 17 17.760 -9.166 -6.208 Start of MODEL 6 1 H1 GLU 1 HT1 GLU 1 2.358 -1.191 8.820 2 H2 GLU 1 HT2 GLU 1 0.963 -0.411 8.245 3 H3 GLU 1 HT3 GLU 1 0.858 -1.473 9.567 4 HA GLU 1 HA GLU 1 1.530 1.288 9.482 5 HB2 GLU 1 HB2 GLU 1 0.816 -0.743 11.671 6 HB3 GLU 1 HB1 GLU 1 1.079 1.004 12.016 7 HG2 GLU 1 HG2 GLU 1 -0.814 1.641 10.548 8 HG3 GLU 1 HG1 GLU 1 -1.038 -0.077 10.035 9 H MET 2 HN MET 2 3.885 0.772 8.651 10 HA MET 2 HA MET 2 5.531 0.543 11.069 11 HB2 MET 2 HB2 MET 2 6.126 -0.570 8.261 12 HB3 MET 2 HB1 MET 2 7.351 -0.440 9.572 13 HG2 MET 2 HG2 MET 2 6.074 -1.990 10.993 14 HG3 MET 2 HG1 MET 2 4.739 -2.044 9.801 15 HE1 MET 2 HE1 MET 2 8.845 -2.273 9.169 16 HE2 MET 2 HE2 MET 2 8.903 -3.966 9.768 17 HE3 MET 2 HE3 MET 2 8.218 -2.669 10.807 18 H ARG 3 HN ARG 3 7.157 2.120 11.241 19 HA ARG 3 HA ARG 3 7.066 4.093 9.060 20 HB2 ARG 3 HB2 ARG 3 6.516 4.769 11.556 21 HB3 ARG 3 HB1 ARG 3 8.288 4.574 11.808 22 HG2 ARG 3 HG2 ARG 3 8.743 6.269 10.019 23 HG3 ARG 3 HG1 ARG 3 6.977 6.447 9.736 24 HD2 ARG 3 HD2 ARG 3 6.695 7.270 12.125 25 HD3 ARG 3 HD1 ARG 3 8.500 7.164 12.339 26 HE ARG 3 HE ARG 3 7.967 8.696 9.972 27 HH11 ARG 3 HH11 ARG 3 7.514 8.793 13.503 28 HH12 ARG 3 HH12 ARG 3 7.604 10.518 13.624 29 HH21 ARG 3 HH21 ARG 3 8.091 11.044 10.133 30 HH22 ARG 3 HH22 ARG 3 7.937 11.819 11.674 31 H LEU 4 HN LEU 4 8.788 1.431 9.832 32 HA LEU 4 HA LEU 4 11.385 2.491 9.981 33 HB2 LEU 4 HB2 LEU 4 10.451 -0.252 8.973 34 HB3 LEU 4 HB1 LEU 4 12.178 0.209 9.209 35 HG LEU 4 HG LEU 4 9.989 0.097 11.351 36 HD11 LEU 4 HD11 LEU 4 12.033 -1.832 10.379 37 HD12 LEU 4 HD12 LEU 4 10.575 -2.096 11.413 38 HD13 LEU 4 HD13 LEU 4 12.123 -1.542 12.159 39 HD21 LEU 4 HD21 LEU 4 12.879 1.136 11.468 40 HD22 LEU 4 HD22 LEU 4 11.990 0.582 12.939 41 HD23 LEU 4 HD23 LEU 4 11.358 1.970 11.967 42 H SER 5 HN SER 5 9.104 1.993 7.327 43 HA SER 5 HA SER 5 11.179 2.264 5.361 44 HB2 SER 5 HB2 SER 5 9.151 2.772 3.791 45 HB3 SER 5 HB1 SER 5 9.171 1.126 4.539 46 HG SER 5 HG SER 5 7.747 3.425 5.414 47 H LYS 6 HN LYS 6 11.997 4.107 6.868 48 HA LYS 6 HA LYS 6 10.959 6.590 5.763 49 HB2 LYS 6 HB2 LYS 6 9.907 6.662 7.958 50 HB3 LYS 6 HB1 LYS 6 11.341 5.873 8.717 51 HG2 LYS 6 HG2 LYS 6 11.045 8.384 9.204 52 HG3 LYS 6 HG1 LYS 6 12.659 7.882 8.602 53 HD2 LYS 6 HD2 LYS 6 11.665 8.519 6.218 54 HD3 LYS 6 HD1 LYS 6 10.452 9.436 7.166 55 HE2 LYS 6 HE2 LYS 6 11.965 11.160 7.161 56 HE3 LYS 6 HE1 LYS 6 12.922 10.189 8.351 57 H PHE 7 HN PHE 7 13.294 5.148 8.040 58 HA PHE 7 HA PHE 7 15.278 6.979 7.739 59 HB2 PHE 7 HB2 PHE 7 15.475 3.960 8.068 60 HB3 PHE 7 HB1 PHE 7 16.760 5.141 8.526 61 HD1 PHE 7 HD1 PHE 7 13.829 3.392 9.444 62 HD2 PHE 7 HD2 PHE 7 16.187 6.817 10.304 63 HE1 PHE 7 HE1 PHE 7 12.768 3.573 11.629 64 HE2 PHE 7 HE2 PHE 7 15.119 6.989 12.497 65 HZ PHE 7 HZ PHE 7 13.420 5.358 13.115 66 H PHE 8 HN PHE 8 14.597 4.011 5.714 67 HA PHE 8 HA PHE 8 16.774 4.928 4.045 68 HB2 PHE 8 HB2 PHE 8 15.935 2.651 2.757 69 HB3 PHE 8 HB1 PHE 8 17.229 2.684 4.010 70 HD1 PHE 8 HD1 PHE 8 13.769 1.777 3.259 71 HD2 PHE 8 HD2 PHE 8 16.788 1.963 6.239 72 HE1 PHE 8 HE1 PHE 8 12.472 0.264 4.675 73 HE2 PHE 8 HE2 PHE 8 15.492 0.459 7.648 74 HZ PHE 8 HZ PHE 8 13.330 -0.400 6.874 75 H ARG 9 HN ARG 9 13.291 4.943 4.253 76 HA ARG 9 HA ARG 9 12.798 5.007 1.493 77 HB2 ARG 9 HB2 ARG 9 11.008 4.689 3.249 78 HB3 ARG 9 HB1 ARG 9 11.224 6.417 3.702 79 HG2 ARG 9 HG2 ARG 9 9.981 7.139 1.965 80 HG3 ARG 9 HG1 ARG 9 10.858 6.090 0.785 81 HD2 ARG 9 HD2 ARG 9 9.461 4.133 1.501 82 HD3 ARG 9 HD1 ARG 9 8.551 5.206 2.653 83 HE ARG 9 HE ARG 9 8.489 6.411 0.041 84 HH11 ARG 9 HH11 ARG 9 7.314 3.563 1.828 85 HH12 ARG 9 HH12 ARG 9 5.879 3.367 0.880 86 HH21 ARG 9 HH21 ARG 9 6.535 6.146 -1.250 87 HH22 ARG 9 HH22 ARG 9 5.429 4.860 -0.900 88 H ASN 10 HN ASN 10 13.673 7.473 3.954 89 HA ASN 10 HA ASN 10 13.258 9.693 2.319 90 HB2 ASN 10 HB2 ASN 10 15.274 9.217 4.596 91 HB3 ASN 10 HB1 ASN 10 15.028 10.822 3.809 92 HD21 ASN 10 HD21 ASN 10 14.490 9.689 6.659 93 H PHE 11 HN PHE 11 16.003 7.375 2.652 94 HA PHE 11 HA PHE 11 17.683 8.883 0.928 95 HB2 PHE 11 HB2 PHE 11 17.685 5.979 1.939 96 HB3 PHE 11 HB1 PHE 11 18.786 6.471 0.589 97 HD1 PHE 11 HD1 PHE 11 18.533 6.099 4.049 98 HD2 PHE 11 HD2 PHE 11 20.105 8.713 1.090 99 HE1 PHE 11 HE1 PHE 11 20.165 6.949 5.665 100 HE2 PHE 11 HE2 PHE 11 21.731 9.561 2.706 101 HZ PHE 11 HZ PHE 11 21.768 8.682 4.996 102 H ILE 12 HN ILE 12 15.847 5.770 0.477 103 HA ILE 12 HA ILE 12 14.472 6.485 -1.730 104 HB ILE 12 HB ILE 12 16.546 6.776 -2.998 105 HG12 ILE 12 HG12 ILE 12 15.341 4.062 -3.729 106 HG13 ILE 12 HG11 ILE 12 14.474 5.621 -3.975 107 HG21 ILE 12 HG21 ILE 12 18.319 5.182 -3.041 108 HG22 ILE 12 HG22 ILE 12 17.275 3.852 -2.417 109 HG23 ILE 12 HG23 ILE 12 17.815 5.169 -1.310 110 HD11 ILE 12 HD11 ILE 12 16.573 4.394 -5.611 111 HD12 ILE 12 HD12 ILE 12 17.095 6.025 -5.043 112 HD13 ILE 12 HD13 ILE 12 15.550 5.838 -5.956 113 H LEU 13 HN LEU 13 12.992 4.840 -2.069 114 HA LEU 13 HA LEU 13 13.796 2.225 -1.037 115 HB2 LEU 13 HB2 LEU 13 12.256 3.345 0.639 116 HB3 LEU 13 HB1 LEU 13 11.044 3.553 -0.671 117 HG LEU 13 HG LEU 13 10.965 1.067 -0.970 118 HD11 LEU 13 HD11 LEU 13 13.236 1.186 0.964 119 HD12 LEU 13 HD12 LEU 13 12.769 -0.104 -0.210 120 HD13 LEU 13 HD13 LEU 13 11.971 -0.022 1.407 121 HD21 LEU 13 HD21 LEU 13 9.708 0.570 1.156 122 HD22 LEU 13 HD22 LEU 13 9.266 2.164 0.432 123 HD23 LEU 13 HD23 LEU 13 10.355 2.096 1.869 124 H GLN 14 HN GLN 14 13.593 0.697 -2.618 125 HA GLN 14 HA GLN 14 11.440 1.047 -4.520 126 HB2 GLN 14 HB2 GLN 14 14.401 0.788 -5.306 127 HB3 GLN 14 HB1 GLN 14 13.049 0.389 -6.426 128 HG2 GLN 14 HG2 GLN 14 12.224 2.703 -6.375 129 HG3 GLN 14 HG1 GLN 14 13.417 3.147 -5.092 130 HE21 GLN 14 HE21 GLN 14 13.123 4.251 -7.870 131 HE22 GLN 14 HE22 GLN 14 14.648 3.998 -8.647 132 H ARG 15 HN ARG 15 10.864 -0.641 -2.835 133 HA ARG 15 HA ARG 15 12.374 -2.991 -2.755 134 HB2 ARG 15 HB2 ARG 15 9.389 -2.534 -2.193 135 HB3 ARG 15 HB1 ARG 15 10.226 -4.099 -1.902 136 HG2 ARG 15 HG2 ARG 15 11.007 -1.424 -0.593 137 HG3 ARG 15 HG1 ARG 15 9.963 -2.675 0.167 138 HD2 ARG 15 HD2 ARG 15 11.891 -4.343 -0.037 139 HD3 ARG 15 HD1 ARG 15 12.935 -2.983 -0.647 140 HE ARG 15 HE ARG 15 11.674 -2.169 1.816 141 HH11 ARG 15 HH11 ARG 15 14.089 -4.431 0.500 142 HH12 ARG 15 HH12 ARG 15 15.063 -4.468 1.931 143 HH21 ARG 15 HH21 ARG 15 12.998 -2.219 3.765 144 HH22 ARG 15 HH22 ARG 15 14.430 -3.188 3.820 145 H LYS 16 HN LYS 16 9.682 -1.843 -4.834 146 HA LYS 16 HA LYS 16 9.672 -4.399 -6.180 147 HB2 LYS 16 HB2 LYS 16 7.498 -3.163 -5.876 148 HB3 LYS 16 HB1 LYS 16 8.184 -1.774 -6.788 149 HG2 LYS 16 HG2 LYS 16 6.747 -3.054 -8.278 150 HG3 LYS 16 HG1 LYS 16 8.450 -3.260 -8.805 151 HD2 LYS 16 HD2 LYS 16 8.555 -5.485 -7.710 152 HD3 LYS 16 HD1 LYS 16 6.890 -5.271 -7.066 153 HE2 LYS 16 HE2 LYS 16 5.984 -5.213 -9.409 154 HE3 LYS 16 HE1 LYS 16 7.664 -5.419 -10.059 155 HZ1 LYS 16 HZ1 LYS 16 5.937 -7.396 -9.432 156 HZ2 LYS 16 HZ2 LYS 16 6.939 -7.359 -8.062 157 HZ3 LYS 16 HZ3 LYS 16 7.618 -7.561 -9.606 158 H LYS 17 HN LYS 17 11.725 -4.596 -7.141 159 HA LYS 17 HA LYS 17 12.679 -2.350 -8.679 160 HB2 LYS 17 HB2 LYS 17 14.208 -3.975 -7.348 161 HB3 LYS 17 HB1 LYS 17 13.815 -5.201 -8.604 162 HG2 LYS 17 HG2 LYS 17 14.803 -3.815 -10.364 163 HG3 LYS 17 HG1 LYS 17 15.030 -2.444 -9.225 164 HD2 LYS 17 HD2 LYS 17 17.185 -3.488 -9.459 165 HD3 LYS 17 HD1 LYS 17 16.565 -3.971 -7.845 166 HE2 LYS 17 HE2 LYS 17 17.563 -5.948 -8.912 167 HE3 LYS 17 HE1 LYS 17 15.765 -6.179 -8.904 168 HZ1 LYS 17 HZ1 LYS 17 16.594 -4.796 -11.232 169 HZ2 LYS 17 HZ2 LYS 17 15.784 -6.280 -11.076 170 HZ3 LYS 17 HZ3 LYS 17 17.481 -6.234 -11.061 Start of MODEL 7 1 H1 GLU 1 HT1 GLU 1 4.408 -2.202 7.151 2 H2 GLU 1 HT2 GLU 1 3.635 -2.128 5.640 3 H3 GLU 1 HT3 GLU 1 2.803 -2.733 6.991 4 HA GLU 1 HA GLU 1 3.275 -0.024 6.156 5 HB2 GLU 1 HB2 GLU 1 1.250 -1.325 8.074 6 HB3 GLU 1 HB1 GLU 1 1.140 0.351 7.431 7 HG2 GLU 1 HG2 GLU 1 1.034 -2.233 5.727 8 HG3 GLU 1 HG1 GLU 1 -0.379 -1.204 6.184 9 H MET 2 HN MET 2 5.540 -0.116 7.356 10 HA MET 2 HA MET 2 5.008 0.791 10.098 11 HB2 MET 2 HB2 MET 2 7.520 -0.644 9.045 12 HB3 MET 2 HB1 MET 2 7.323 0.022 10.703 13 HG2 MET 2 HG2 MET 2 5.674 -2.251 9.449 14 HG3 MET 2 HG1 MET 2 7.000 -2.442 10.637 15 HE1 MET 2 HE1 MET 2 7.195 -1.636 12.722 16 HE2 MET 2 HE2 MET 2 5.891 -1.430 13.942 17 HE3 MET 2 HE3 MET 2 6.405 -0.035 12.933 18 H ARG 3 HN ARG 3 6.019 2.749 10.685 19 HA ARG 3 HA ARG 3 6.935 4.256 8.404 20 HB2 ARG 3 HB2 ARG 3 5.512 5.300 10.307 21 HB3 ARG 3 HB1 ARG 3 6.989 5.176 11.332 22 HG2 ARG 3 HG2 ARG 3 8.241 6.657 9.826 23 HG3 ARG 3 HG1 ARG 3 6.900 6.662 8.632 24 HD2 ARG 3 HD2 ARG 3 6.677 7.771 11.520 25 HD3 ARG 3 HD1 ARG 3 6.956 8.775 10.029 26 HE ARG 3 HE ARG 3 4.654 7.159 9.542 27 HH11 ARG 3 HH11 ARG 3 5.778 9.726 11.740 28 HH12 ARG 3 HH12 ARG 3 4.212 10.422 11.980 29 HH21 ARG 3 HH21 ARG 3 2.521 8.106 9.867 30 HH22 ARG 3 HH22 ARG 3 2.328 9.484 10.896 31 H LEU 4 HN LEU 4 8.330 2.128 10.709 32 HA LEU 4 HA LEU 4 10.754 3.394 11.182 33 HB2 LEU 4 HB2 LEU 4 9.726 0.939 11.907 34 HB3 LEU 4 HB1 LEU 4 10.858 0.430 10.606 35 HG LEU 4 HG LEU 4 11.913 0.327 12.837 36 HD11 LEU 4 HD11 LEU 4 13.223 2.656 11.319 37 HD12 LEU 4 HD12 LEU 4 13.223 0.964 10.688 38 HD13 LEU 4 HD13 LEU 4 14.012 1.338 12.269 39 HD21 LEU 4 HD21 LEU 4 12.224 2.185 14.303 40 HD22 LEU 4 HD22 LEU 4 10.507 2.320 13.765 41 HD23 LEU 4 HD23 LEU 4 11.766 3.388 13.038 42 H SER 5 HN SER 5 9.455 1.702 8.303 43 HA SER 5 HA SER 5 12.037 1.785 7.018 44 HB2 SER 5 HB2 SER 5 10.360 -0.031 6.407 45 HB3 SER 5 HB1 SER 5 9.235 1.258 5.825 46 HG SER 5 HG SER 5 10.743 1.821 4.289 47 H LYS 6 HN LYS 6 12.088 4.195 7.735 48 HA LYS 6 HA LYS 6 10.897 5.758 5.552 49 HB2 LYS 6 HB2 LYS 6 9.669 6.362 7.637 50 HB3 LYS 6 HB1 LYS 6 11.249 6.564 8.490 51 HG2 LYS 6 HG2 LYS 6 11.122 8.159 5.996 52 HG3 LYS 6 HG1 LYS 6 9.776 8.571 7.106 53 HD2 LYS 6 HD2 LYS 6 11.291 9.223 8.859 54 HD3 LYS 6 HD1 LYS 6 12.694 8.438 8.056 55 HE2 LYS 6 HE2 LYS 6 11.186 10.713 6.639 56 HE3 LYS 6 HE1 LYS 6 12.421 11.081 7.905 57 H PHE 7 HN PHE 7 13.337 5.540 8.151 58 HA PHE 7 HA PHE 7 14.871 7.646 7.433 59 HB2 PHE 7 HB2 PHE 7 15.718 4.894 8.403 60 HB3 PHE 7 HB1 PHE 7 16.704 6.396 8.563 61 HD1 PHE 7 HD1 PHE 7 14.253 4.279 9.942 62 HD2 PHE 7 HD2 PHE 7 15.672 8.281 9.899 63 HE1 PHE 7 HE1 PHE 7 13.110 4.704 12.050 64 HE2 PHE 7 HE2 PHE 7 14.525 8.698 12.020 65 HZ PHE 7 HZ PHE 7 13.256 6.895 13.053 66 H PHE 8 HN PHE 8 14.937 4.271 5.994 67 HA PHE 8 HA PHE 8 17.009 5.283 4.265 68 HB2 PHE 8 HB2 PHE 8 16.620 2.820 3.204 69 HB3 PHE 8 HB1 PHE 8 17.717 3.119 4.600 70 HD1 PHE 8 HD1 PHE 8 14.616 1.617 3.472 71 HD2 PHE 8 HD2 PHE 8 16.971 2.646 6.849 72 HE1 PHE 8 HE1 PHE 8 13.323 0.070 4.850 73 HE2 PHE 8 HE2 PHE 8 15.680 1.107 8.221 74 HZ PHE 8 HZ PHE 8 13.853 -0.191 7.228 75 H ARG 9 HN ARG 9 13.552 4.838 4.334 76 HA ARG 9 HA ARG 9 13.207 4.628 1.549 77 HB2 ARG 9 HB2 ARG 9 11.387 4.224 3.334 78 HB3 ARG 9 HB1 ARG 9 11.306 6.012 3.512 79 HG2 ARG 9 HG2 ARG 9 9.940 6.165 1.740 80 HG3 ARG 9 HG1 ARG 9 11.174 5.383 0.679 81 HD2 ARG 9 HD2 ARG 9 10.325 3.111 1.415 82 HD3 ARG 9 HD1 ARG 9 9.035 3.937 2.398 83 HE ARG 9 HE ARG 9 8.951 4.947 -0.303 84 HH11 ARG 9 HH11 ARG 9 8.343 2.020 1.633 85 HH12 ARG 9 HH12 ARG 9 7.106 1.400 0.591 86 HH21 ARG 9 HH21 ARG 9 7.268 4.104 -1.722 87 HH22 ARG 9 HH22 ARG 9 6.485 2.606 -1.349 88 H ASN 10 HN ASN 10 13.604 7.289 3.891 89 HA ASN 10 HA ASN 10 13.030 9.395 2.168 90 HB2 ASN 10 HB2 ASN 10 14.982 9.186 4.542 91 HB3 ASN 10 HB1 ASN 10 14.623 10.736 3.700 92 HD21 ASN 10 HD21 ASN 10 14.156 10.054 6.545 93 H PHE 11 HN PHE 11 16.012 7.431 2.739 94 HA PHE 11 HA PHE 11 17.606 9.060 1.064 95 HB2 PHE 11 HB2 PHE 11 17.872 6.218 2.183 96 HB3 PHE 11 HB1 PHE 11 18.962 6.749 0.840 97 HD1 PHE 11 HD1 PHE 11 18.618 6.548 4.314 98 HD2 PHE 11 HD2 PHE 11 20.050 9.122 1.252 99 HE1 PHE 11 HE1 PHE 11 20.097 7.646 5.928 100 HE2 PHE 11 HE2 PHE 11 21.526 10.215 2.865 101 HZ PHE 11 HZ PHE 11 21.556 9.480 5.206 102 H ILE 12 HN ILE 12 15.986 5.816 0.565 103 HA ILE 12 HA ILE 12 14.791 6.389 -1.777 104 HB ILE 12 HB ILE 12 16.812 6.853 -2.985 105 HG12 ILE 12 HG12 ILE 12 17.053 4.853 -4.526 106 HG13 ILE 12 HG11 ILE 12 15.966 3.936 -3.433 107 HG21 ILE 12 HG21 ILE 12 17.914 4.762 -1.125 108 HG22 ILE 12 HG22 ILE 12 18.706 6.208 -1.853 109 HG23 ILE 12 HG23 ILE 12 18.557 4.686 -2.808 110 HD11 ILE 12 HD11 ILE 12 14.755 6.542 -4.111 111 HD12 ILE 12 HD12 ILE 12 14.117 4.876 -4.388 112 HD13 ILE 12 HD13 ILE 12 15.207 5.640 -5.607 113 H LEU 13 HN LEU 13 13.454 4.660 -2.205 114 HA LEU 13 HA LEU 13 14.413 2.047 -1.378 115 HB2 LEU 13 HB2 LEU 13 12.945 3.077 0.511 116 HB3 LEU 13 HB1 LEU 13 11.592 3.027 -0.670 117 HG LEU 13 HG LEU 13 13.146 0.478 -0.360 118 HD11 LEU 13 HD11 LEU 13 12.808 1.636 2.036 119 HD12 LEU 13 HD12 LEU 13 12.499 -0.126 1.800 120 HD13 LEU 13 HD13 LEU 13 11.118 1.035 1.842 121 HD21 LEU 13 HD21 LEU 13 10.760 1.202 -1.582 122 HD22 LEU 13 HD22 LEU 13 10.166 0.510 -0.025 123 HD23 LEU 13 HD23 LEU 13 11.210 -0.482 -1.112 124 H GLN 14 HN GLN 14 13.970 0.570 -2.977 125 HA GLN 14 HA GLN 14 11.676 1.112 -4.663 126 HB2 GLN 14 HB2 GLN 14 13.062 0.586 -6.748 127 HB3 GLN 14 HB1 GLN 14 13.405 2.195 -6.021 128 HG2 GLN 14 HG2 GLN 14 15.430 1.234 -4.855 129 HG3 GLN 14 HG1 GLN 14 15.106 -0.362 -5.643 130 HE21 GLN 14 HE21 GLN 14 16.091 -0.714 -7.579 131 HE22 GLN 14 HE22 GLN 14 16.673 0.508 -8.657 132 H ARG 15 HN ARG 15 12.176 -0.696 -2.495 133 HA ARG 15 HA ARG 15 13.162 -3.123 -3.445 134 HB2 ARG 15 HB2 ARG 15 11.159 -2.563 -1.192 135 HB3 ARG 15 HB1 ARG 15 11.879 -4.178 -1.517 136 HG2 ARG 15 HG2 ARG 15 13.511 -1.653 -0.853 137 HG3 ARG 15 HG1 ARG 15 13.002 -2.885 0.352 138 HD2 ARG 15 HD2 ARG 15 14.282 -4.652 -0.966 139 HD3 ARG 15 HD1 ARG 15 14.876 -3.334 -2.073 140 HE ARG 15 HE ARG 15 15.402 -2.562 0.651 141 HH11 ARG 15 HH11 ARG 15 16.343 -4.952 -1.817 142 HH12 ARG 15 HH12 ARG 15 17.961 -5.149 -1.233 143 HH21 ARG 15 HH21 ARG 15 17.604 -2.830 1.447 144 HH22 ARG 15 HH22 ARG 15 18.689 -3.921 0.657 145 H LYS 16 HN LYS 16 9.911 -1.612 -3.435 146 HA LYS 16 HA LYS 16 8.827 -4.021 -4.605 147 HB2 LYS 16 HB2 LYS 16 7.419 -2.696 -2.987 148 HB3 LYS 16 HB1 LYS 16 7.554 -1.269 -4.073 149 HG2 LYS 16 HG2 LYS 16 5.388 -2.313 -4.431 150 HG3 LYS 16 HG1 LYS 16 6.397 -2.576 -5.892 151 HD2 LYS 16 HD2 LYS 16 6.899 -4.895 -5.169 152 HD3 LYS 16 HD1 LYS 16 5.999 -4.639 -3.635 153 HE2 LYS 16 HE2 LYS 16 3.873 -4.301 -4.935 154 HE3 LYS 16 HE1 LYS 16 4.785 -4.558 -6.482 155 HZ1 LYS 16 HZ1 LYS 16 5.330 -6.650 -4.667 156 HZ2 LYS 16 HZ2 LYS 16 4.602 -6.704 -6.200 157 HZ3 LYS 16 HZ3 LYS 16 3.650 -6.455 -4.815 158 H LYS 17 HN LYS 17 9.827 -4.248 -6.630 159 HA LYS 17 HA LYS 17 8.950 -2.242 -8.540 160 HB2 LYS 17 HB2 LYS 17 11.156 -2.080 -9.644 161 HB3 LYS 17 HB1 LYS 17 11.294 -1.522 -7.941 162 HG2 LYS 17 HG2 LYS 17 12.184 -3.774 -7.279 163 HG3 LYS 17 HG1 LYS 17 12.078 -4.313 -8.990 164 HD2 LYS 17 HD2 LYS 17 13.693 -2.545 -9.669 165 HD3 LYS 17 HD1 LYS 17 13.760 -1.935 -7.980 166 HE2 LYS 17 HE2 LYS 17 15.743 -3.357 -8.447 167 HE3 LYS 17 HE1 LYS 17 14.677 -4.193 -7.241 168 HZ1 LYS 17 HZ1 LYS 17 15.626 -5.280 -9.492 169 HZ2 LYS 17 HZ2 LYS 17 14.090 -4.776 -10.013 170 HZ3 LYS 17 HZ3 LYS 17 14.236 -5.805 -8.670 Start of MODEL 8 1 H1 GLU 1 HT1 GLU 1 0.882 -0.632 8.363 2 H2 GLU 1 HT2 GLU 1 1.802 -0.474 9.781 3 H3 GLU 1 HT3 GLU 1 2.461 -1.254 8.424 4 HA GLU 1 HA GLU 1 1.775 1.115 7.402 5 HB2 GLU 1 HB2 GLU 1 2.737 1.465 10.295 6 HB3 GLU 1 HB1 GLU 1 2.874 2.774 9.067 7 HG2 GLU 1 HG2 GLU 1 0.421 2.863 8.785 8 HG3 GLU 1 HG1 GLU 1 0.205 1.424 9.858 9 H MET 2 HN MET 2 4.303 -0.353 9.546 10 HA MET 2 HA MET 2 6.470 -0.676 9.241 11 HB2 MET 2 HB2 MET 2 5.763 -0.523 6.253 12 HB3 MET 2 HB1 MET 2 7.387 -0.976 6.883 13 HG2 MET 2 HG2 MET 2 6.448 -2.937 8.040 14 HG3 MET 2 HG1 MET 2 4.785 -2.467 7.563 15 HE1 MET 2 HE1 MET 2 8.221 -4.278 5.105 16 HE2 MET 2 HE2 MET 2 8.207 -3.594 6.766 17 HE3 MET 2 HE3 MET 2 8.267 -2.497 5.344 18 H ARG 3 HN ARG 3 6.059 1.788 10.104 19 HA ARG 3 HA ARG 3 6.917 3.778 8.270 20 HB2 ARG 3 HB2 ARG 3 5.626 4.408 10.355 21 HB3 ARG 3 HB1 ARG 3 7.037 3.871 11.342 22 HG2 ARG 3 HG2 ARG 3 8.457 5.623 10.442 23 HG3 ARG 3 HG1 ARG 3 7.257 6.047 9.172 24 HD2 ARG 3 HD2 ARG 3 7.187 7.734 11.007 25 HD3 ARG 3 HD1 ARG 3 5.642 6.774 11.035 26 HE ARG 3 HE ARG 3 7.620 5.528 12.754 27 HH11 ARG 3 HH11 ARG 3 5.466 8.347 12.445 28 HH12 ARG 3 HH12 ARG 3 5.247 8.562 14.150 29 HH21 ARG 3 HH21 ARG 3 7.325 5.819 15.074 30 HH22 ARG 3 HH22 ARG 3 6.324 7.099 15.670 31 H LEU 4 HN LEU 4 8.548 1.237 9.932 32 HA LEU 4 HA LEU 4 10.952 2.489 10.502 33 HB2 LEU 4 HB2 LEU 4 10.492 0.119 11.183 34 HB3 LEU 4 HB1 LEU 4 10.528 -0.370 9.451 35 HG LEU 4 HG LEU 4 12.884 0.347 9.259 36 HD11 LEU 4 HD11 LEU 4 14.164 0.922 11.411 37 HD12 LEU 4 HD12 LEU 4 12.564 1.138 12.219 38 HD13 LEU 4 HD13 LEU 4 13.020 2.192 10.824 39 HD21 LEU 4 HD21 LEU 4 12.704 -1.446 11.744 40 HD22 LEU 4 HD22 LEU 4 13.869 -1.520 10.367 41 HD23 LEU 4 HD23 LEU 4 12.148 -2.006 10.120 42 H SER 5 HN SER 5 9.588 1.238 7.400 43 HA SER 5 HA SER 5 12.031 1.816 6.015 44 HB2 SER 5 HB2 SER 5 9.158 1.319 4.999 45 HB3 SER 5 HB1 SER 5 10.582 1.580 3.912 46 HG SER 5 HG SER 5 10.068 -0.623 4.337 47 H LYS 6 HN LYS 6 12.140 3.984 7.178 48 HA LYS 6 HA LYS 6 10.757 5.973 5.539 49 HB2 LYS 6 HB2 LYS 6 9.538 6.166 7.620 50 HB3 LYS 6 HB1 LYS 6 11.021 5.785 8.573 51 HG2 LYS 6 HG2 LYS 6 10.227 8.218 8.692 52 HG3 LYS 6 HG1 LYS 6 11.944 7.987 8.232 53 HD2 LYS 6 HD2 LYS 6 11.050 8.125 5.751 54 HD3 LYS 6 HD1 LYS 6 9.575 8.832 6.488 55 HE2 LYS 6 HE2 LYS 6 10.659 10.850 6.349 56 HE3 LYS 6 HE1 LYS 6 11.679 10.276 7.728 57 H PHE 7 HN PHE 7 13.165 5.408 8.093 58 HA PHE 7 HA PHE 7 14.719 7.585 7.661 59 HB2 PHE 7 HB2 PHE 7 15.566 4.749 8.365 60 HB3 PHE 7 HB1 PHE 7 16.482 6.249 8.775 61 HD1 PHE 7 HD1 PHE 7 14.021 3.905 9.706 62 HD2 PHE 7 HD2 PHE 7 15.305 7.912 10.274 63 HE1 PHE 7 HE1 PHE 7 12.739 4.021 11.776 64 HE2 PHE 7 HE2 PHE 7 14.012 8.021 12.348 65 HZ PHE 7 HZ PHE 7 12.745 6.064 13.058 66 H PHE 8 HN PHE 8 14.853 4.345 5.964 67 HA PHE 8 HA PHE 8 16.922 5.536 4.335 68 HB2 PHE 8 HB2 PHE 8 16.959 3.140 3.249 69 HB3 PHE 8 HB1 PHE 8 17.730 3.393 4.859 70 HD1 PHE 8 HD1 PHE 8 14.895 1.932 3.060 71 HD2 PHE 8 HD2 PHE 8 16.740 2.549 6.833 72 HE1 PHE 8 HE1 PHE 8 13.477 0.205 4.044 73 HE2 PHE 8 HE2 PHE 8 15.326 0.828 7.808 74 HZ PHE 8 HZ PHE 8 13.691 -0.356 6.419 75 H ARG 9 HN ARG 9 13.507 4.826 4.311 76 HA ARG 9 HA ARG 9 13.254 4.524 1.537 77 HB2 ARG 9 HB2 ARG 9 11.392 4.002 3.121 78 HB3 ARG 9 HB1 ARG 9 11.274 5.753 3.519 79 HG2 ARG 9 HG2 ARG 9 10.078 6.212 1.662 80 HG3 ARG 9 HG1 ARG 9 11.197 5.276 0.594 81 HD2 ARG 9 HD2 ARG 9 10.078 3.148 1.294 82 HD3 ARG 9 HD1 ARG 9 8.938 4.091 2.351 83 HE ARG 9 HE ARG 9 8.855 5.191 -0.310 84 HH11 ARG 9 HH11 ARG 9 8.009 2.270 1.542 85 HH12 ARG 9 HH12 ARG 9 6.681 1.822 0.526 86 HH21 ARG 9 HH21 ARG 9 7.048 4.584 -1.694 87 HH22 ARG 9 HH22 ARG 9 6.125 3.161 -1.347 88 H ASN 10 HN ASN 10 13.395 7.342 3.761 89 HA ASN 10 HA ASN 10 12.712 9.257 1.855 90 HB2 ASN 10 HB2 ASN 10 14.550 9.436 4.316 91 HB3 ASN 10 HB1 ASN 10 14.068 10.867 3.333 92 HD21 ASN 10 HD21 ASN 10 13.484 9.932 6.243 93 H PHE 11 HN PHE 11 15.832 7.615 2.667 94 HA PHE 11 HA PHE 11 17.349 9.268 0.957 95 HB2 PHE 11 HB2 PHE 11 17.776 6.487 2.174 96 HB3 PHE 11 HB1 PHE 11 18.867 7.056 0.846 97 HD1 PHE 11 HD1 PHE 11 18.416 6.944 4.318 98 HD2 PHE 11 HD2 PHE 11 19.790 9.494 1.210 99 HE1 PHE 11 HE1 PHE 11 19.772 8.187 5.934 100 HE2 PHE 11 HE2 PHE 11 21.141 10.734 2.826 101 HZ PHE 11 HZ PHE 11 21.138 10.084 5.192 102 H ILE 12 HN ILE 12 15.893 5.941 0.532 103 HA ILE 12 HA ILE 12 14.775 6.406 -1.878 104 HB ILE 12 HB ILE 12 16.978 6.810 -2.880 105 HG12 ILE 12 HG12 ILE 12 16.059 3.983 -3.602 106 HG13 ILE 12 HG11 ILE 12 15.164 5.472 -4.076 107 HG21 ILE 12 HG21 ILE 12 18.107 5.369 -0.946 108 HG22 ILE 12 HG22 ILE 12 18.855 5.381 -2.586 109 HG23 ILE 12 HG23 ILE 12 17.842 3.982 -2.068 110 HD11 ILE 12 HD11 ILE 12 16.491 5.433 -5.937 111 HD12 ILE 12 HD12 ILE 12 17.698 4.332 -5.170 112 HD13 ILE 12 HD13 ILE 12 17.763 6.106 -4.850 113 H LEU 13 HN LEU 13 13.499 4.635 -2.355 114 HA LEU 13 HA LEU 13 14.376 2.099 -1.206 115 HB2 LEU 13 HB2 LEU 13 12.602 3.162 0.316 116 HB3 LEU 13 HB1 LEU 13 11.483 3.134 -1.089 117 HG LEU 13 HG LEU 13 12.811 0.521 -0.571 118 HD11 LEU 13 HD11 LEU 13 12.293 1.737 1.800 119 HD12 LEU 13 HD12 LEU 13 12.033 -0.029 1.535 120 HD13 LEU 13 HD13 LEU 13 10.637 1.111 1.454 121 HD21 LEU 13 HD21 LEU 13 10.603 1.385 -1.993 122 HD22 LEU 13 HD22 LEU 13 9.817 0.776 -0.488 123 HD23 LEU 13 HD23 LEU 13 10.872 -0.317 -1.460 124 H GLN 14 HN GLN 14 14.430 0.579 -2.805 125 HA GLN 14 HA GLN 14 12.545 0.974 -5.022 126 HB2 GLN 14 HB2 GLN 14 15.429 -0.097 -5.196 127 HB3 GLN 14 HB1 GLN 14 14.259 -0.019 -6.561 128 HG2 GLN 14 HG2 GLN 14 15.307 2.438 -5.015 129 HG3 GLN 14 HG1 GLN 14 15.959 1.857 -6.600 130 HE21 GLN 14 HE21 GLN 14 13.908 4.126 -5.293 131 HE22 GLN 14 HE22 GLN 14 12.775 4.307 -6.587 132 H ARG 15 HN ARG 15 12.861 -0.528 -2.319 133 HA ARG 15 HA ARG 15 13.286 -3.194 -2.974 134 HB2 ARG 15 HB2 ARG 15 11.655 -1.979 -0.683 135 HB3 ARG 15 HB1 ARG 15 12.024 -3.732 -0.828 136 HG2 ARG 15 HG2 ARG 15 14.151 -1.512 -0.645 137 HG3 ARG 15 HG1 ARG 15 13.554 -2.477 0.749 138 HD2 ARG 15 HD2 ARG 15 14.348 -4.598 -0.429 139 HD3 ARG 15 HD1 ARG 15 15.059 -3.551 -1.736 140 HE ARG 15 HE ARG 15 15.985 -2.606 0.824 141 HH11 ARG 15 HH11 ARG 15 16.230 -5.368 -1.411 142 HH12 ARG 15 HH12 ARG 15 17.838 -5.806 -0.940 143 HH21 ARG 15 HH21 ARG 15 18.173 -3.201 1.466 144 HH22 ARG 15 HH22 ARG 15 18.961 -4.553 0.726 145 H LYS 16 HN LYS 16 10.370 -1.110 -2.975 146 HA LYS 16 HA LYS 16 8.784 -3.416 -3.714 147 HB2 LYS 16 HB2 LYS 16 7.783 -1.677 -2.182 148 HB3 LYS 16 HB1 LYS 16 8.040 -0.440 -3.458 149 HG2 LYS 16 HG2 LYS 16 5.708 -1.125 -3.501 150 HG3 LYS 16 HG1 LYS 16 6.510 -1.735 -4.986 151 HD2 LYS 16 HD2 LYS 16 6.699 -4.001 -3.992 152 HD3 LYS 16 HD1 LYS 16 6.006 -3.406 -2.445 153 HE2 LYS 16 HE2 LYS 16 3.847 -2.866 -3.615 154 HE3 LYS 16 HE1 LYS 16 4.549 -3.467 -5.175 155 HZ1 LYS 16 HZ1 LYS 16 4.934 -5.389 -3.155 156 HZ2 LYS 16 HZ2 LYS 16 4.024 -5.491 -4.585 157 HZ3 LYS 16 HZ3 LYS 16 3.304 -4.915 -3.159 158 H LYS 17 HN LYS 17 9.567 -4.042 -5.755 159 HA LYS 17 HA LYS 17 8.918 -2.102 -7.838 160 HB2 LYS 17 HB2 LYS 17 11.637 -3.202 -7.230 161 HB3 LYS 17 HB1 LYS 17 11.115 -3.454 -8.933 162 HG2 LYS 17 HG2 LYS 17 10.789 -0.696 -7.672 163 HG3 LYS 17 HG1 LYS 17 12.422 -1.238 -8.192 164 HD2 LYS 17 HD2 LYS 17 11.610 -1.620 -10.496 165 HD3 LYS 17 HD1 LYS 17 9.926 -1.237 -10.002 166 HE2 LYS 17 HE2 LYS 17 10.889 0.733 -11.126 167 HE3 LYS 17 HE1 LYS 17 10.723 1.118 -9.362 168 HZ1 LYS 17 HZ1 LYS 17 12.964 1.349 -10.864 169 HZ2 LYS 17 HZ2 LYS 17 13.230 -0.107 -10.034 170 HZ3 LYS 17 HZ3 LYS 17 12.894 1.318 -9.163 Start of MODEL 9 1 H1 GLU 1 HT1 GLU 1 1.551 3.522 8.304 2 H2 GLU 1 HT2 GLU 1 2.042 2.052 7.611 3 H3 GLU 1 HT3 GLU 1 3.201 3.124 8.239 4 HA GLU 1 HA GLU 1 1.718 2.801 10.380 5 HB2 GLU 1 HB2 GLU 1 0.279 1.134 9.060 6 HB3 GLU 1 HB1 GLU 1 1.722 0.064 8.984 7 HG2 GLU 1 HG2 GLU 1 1.774 -0.092 11.484 8 HG3 GLU 1 HG1 GLU 1 0.354 1.025 11.591 9 H MET 2 HN MET 2 4.125 1.132 8.283 10 HA MET 2 HA MET 2 5.646 0.490 10.692 11 HB2 MET 2 HB2 MET 2 5.320 -1.216 8.739 12 HB3 MET 2 HB1 MET 2 6.388 -0.138 7.778 13 HG2 MET 2 HG2 MET 2 8.228 -0.448 9.380 14 HG3 MET 2 HG1 MET 2 7.171 -1.406 10.467 15 HE1 MET 2 HE1 MET 2 10.169 -2.922 9.160 16 HE2 MET 2 HE2 MET 2 9.151 -4.228 9.858 17 HE3 MET 2 HE3 MET 2 9.119 -2.584 10.580 18 H ARG 3 HN ARG 3 6.735 2.293 11.426 19 HA ARG 3 HA ARG 3 7.571 4.274 9.541 20 HB2 ARG 3 HB2 ARG 3 6.996 4.944 11.910 21 HB3 ARG 3 HB1 ARG 3 8.408 3.984 12.487 22 HG2 ARG 3 HG2 ARG 3 9.985 5.434 11.326 23 HG3 ARG 3 HG1 ARG 3 8.662 6.287 10.454 24 HD2 ARG 3 HD2 ARG 3 7.835 7.255 12.621 25 HD3 ARG 3 HD1 ARG 3 9.134 6.354 13.525 26 HE ARG 3 HE ARG 3 10.465 7.821 11.501 27 HH11 ARG 3 HH11 ARG 3 8.322 8.441 14.277 28 HH12 ARG 3 HH12 ARG 3 8.982 10.000 14.637 29 HH21 ARG 3 HH21 ARG 3 11.364 9.942 11.988 30 HH22 ARG 3 HH22 ARG 3 10.743 10.869 13.311 31 H LEU 4 HN LEU 4 8.884 1.269 10.716 32 HA LEU 4 HA LEU 4 11.577 1.856 10.702 33 HB2 LEU 4 HB2 LEU 4 10.130 -0.486 10.974 34 HB3 LEU 4 HB1 LEU 4 10.811 -0.709 9.326 35 HG LEU 4 HG LEU 4 12.313 -0.282 11.959 36 HD11 LEU 4 HD11 LEU 4 12.476 -2.540 9.866 37 HD12 LEU 4 HD12 LEU 4 11.542 -2.610 11.409 38 HD13 LEU 4 HD13 LEU 4 13.340 -2.464 11.449 39 HD21 LEU 4 HD21 LEU 4 13.429 1.141 10.268 40 HD22 LEU 4 HD22 LEU 4 13.489 -0.240 9.106 41 HD23 LEU 4 HD23 LEU 4 14.446 -0.306 10.636 42 H SER 5 HN SER 5 9.264 1.439 7.974 43 HA SER 5 HA SER 5 11.422 1.504 6.068 44 HB2 SER 5 HB2 SER 5 8.370 1.809 5.729 45 HB3 SER 5 HB1 SER 5 9.547 1.819 4.353 46 HG SER 5 HG SER 5 8.526 -0.226 4.901 47 H LYS 6 HN LYS 6 12.253 3.479 7.387 48 HA LYS 6 HA LYS 6 11.123 5.864 6.119 49 HB2 LYS 6 HB2 LYS 6 10.428 6.062 8.461 50 HB3 LYS 6 HB1 LYS 6 12.044 5.477 9.009 51 HG2 LYS 6 HG2 LYS 6 11.617 8.011 9.251 52 HG3 LYS 6 HG1 LYS 6 13.128 7.543 8.402 53 HD2 LYS 6 HD2 LYS 6 11.739 7.790 6.198 54 HD3 LYS 6 HD1 LYS 6 10.522 8.636 7.206 55 HE2 LYS 6 HE2 LYS 6 11.712 10.568 6.979 56 HE3 LYS 6 HE1 LYS 6 13.112 9.799 7.828 57 H PHE 7 HN PHE 7 13.828 4.429 7.952 58 HA PHE 7 HA PHE 7 15.723 6.273 7.399 59 HB2 PHE 7 HB2 PHE 7 15.938 3.246 7.479 60 HB3 PHE 7 HB1 PHE 7 17.316 4.383 7.738 61 HD1 PHE 7 HD1 PHE 7 14.585 2.615 9.120 62 HD2 PHE 7 HD2 PHE 7 17.151 5.946 9.697 63 HE1 PHE 7 HE1 PHE 7 13.980 2.670 11.483 64 HE2 PHE 7 HE2 PHE 7 16.537 5.995 12.066 65 HZ PHE 7 HZ PHE 7 14.952 4.349 12.910 66 H PHE 8 HN PHE 8 14.669 3.481 5.255 67 HA PHE 8 HA PHE 8 16.571 4.520 3.348 68 HB2 PHE 8 HB2 PHE 8 15.552 2.539 1.882 69 HB3 PHE 8 HB1 PHE 8 16.806 2.217 3.134 70 HD1 PHE 8 HD1 PHE 8 13.263 1.908 2.256 71 HD2 PHE 8 HD2 PHE 8 16.257 1.150 5.166 72 HE1 PHE 8 HE1 PHE 8 11.773 0.338 3.387 73 HE2 PHE 8 HE2 PHE 8 14.770 -0.410 6.293 74 HZ PHE 8 HZ PHE 8 12.526 -0.830 5.410 75 H ARG 9 HN ARG 9 13.233 4.788 4.188 76 HA ARG 9 HA ARG 9 12.251 5.289 1.592 77 HB2 ARG 9 HB2 ARG 9 10.818 4.863 3.679 78 HB3 ARG 9 HB1 ARG 9 11.243 6.533 4.199 79 HG2 ARG 9 HG2 ARG 9 9.760 7.474 2.783 80 HG3 ARG 9 HG1 ARG 9 10.301 6.459 1.393 81 HD2 ARG 9 HD2 ARG 9 8.906 4.559 2.239 82 HD3 ARG 9 HD1 ARG 9 8.343 5.588 3.629 83 HE ARG 9 HE ARG 9 7.877 6.980 1.130 84 HH11 ARG 9 HH11 ARG 9 6.780 4.222 3.098 85 HH12 ARG 9 HH12 ARG 9 5.151 4.250 2.509 86 HH21 ARG 9 HH21 ARG 9 5.663 7.020 0.328 87 HH22 ARG 9 HH22 ARG 9 4.506 5.869 0.905 88 H ASN 10 HN ASN 10 13.950 7.153 4.111 89 HA ASN 10 HA ASN 10 13.501 9.713 3.117 90 HB2 ASN 10 HB2 ASN 10 16.007 8.520 4.466 91 HB3 ASN 10 HB1 ASN 10 15.788 10.276 4.148 92 HD21 ASN 10 HD21 ASN 10 12.690 9.622 4.822 93 H PHE 11 HN PHE 11 15.799 7.092 2.229 94 HA PHE 11 HA PHE 11 17.166 8.731 0.340 95 HB2 PHE 11 HB2 PHE 11 17.095 5.712 0.929 96 HB3 PHE 11 HB1 PHE 11 17.883 6.338 -0.576 97 HD1 PHE 11 HD1 PHE 11 18.340 5.581 2.851 98 HD2 PHE 11 HD2 PHE 11 19.605 8.228 -0.223 99 HE1 PHE 11 HE1 PHE 11 20.389 6.061 4.104 100 HE2 PHE 11 HE2 PHE 11 21.647 8.704 1.030 101 HZ PHE 11 HZ PHE 11 22.049 7.622 3.195 102 H ILE 12 HN ILE 12 15.155 5.719 -0.157 103 HA ILE 12 HA ILE 12 13.317 6.983 -1.788 104 HB ILE 12 HB ILE 12 15.115 7.202 -3.439 105 HG12 ILE 12 HG12 ILE 12 13.332 4.828 -4.197 106 HG13 ILE 12 HG11 ILE 12 12.742 6.525 -4.099 107 HG21 ILE 12 HG21 ILE 12 16.506 5.359 -4.132 108 HG22 ILE 12 HG22 ILE 12 15.457 4.144 -3.313 109 HG23 ILE 12 HG23 ILE 12 16.474 5.264 -2.332 110 HD11 ILE 12 HD11 ILE 12 14.311 5.197 -6.224 111 HD12 ILE 12 HD12 ILE 12 15.100 6.715 -5.653 112 HD13 ILE 12 HD13 ILE 12 13.402 6.754 -6.262 113 H LEU 13 HN LEU 13 11.576 5.594 -2.033 114 HA LEU 13 HA LEU 13 12.139 2.813 -1.295 115 HB2 LEU 13 HB2 LEU 13 10.733 4.006 0.453 116 HB3 LEU 13 HB1 LEU 13 9.551 4.421 -0.838 117 HG LEU 13 HG LEU 13 9.204 1.975 -1.284 118 HD11 LEU 13 HD11 LEU 13 11.398 1.735 0.765 119 HD12 LEU 13 HD12 LEU 13 10.953 0.649 -0.607 120 HD13 LEU 13 HD13 LEU 13 10.027 0.575 0.940 121 HD21 LEU 13 HD21 LEU 13 8.680 2.431 1.694 122 HD22 LEU 13 HD22 LEU 13 7.627 1.669 0.442 123 HD23 LEU 13 HD23 LEU 13 7.868 3.458 0.452 124 H GLN 14 HN GLN 14 11.879 1.488 -3.052 125 HA GLN 14 HA GLN 14 9.794 2.267 -4.934 126 HB2 GLN 14 HB2 GLN 14 12.164 2.837 -5.813 127 HB3 GLN 14 HB1 GLN 14 12.488 1.067 -5.765 128 HG2 GLN 14 HG2 GLN 14 10.642 0.641 -7.364 129 HG3 GLN 14 HG1 GLN 14 10.207 2.396 -7.364 130 HE21 GLN 14 HE21 GLN 14 10.726 1.604 -9.819 131 HE22 GLN 14 HE22 GLN 14 12.321 2.009 -10.357 132 H ARG 15 HN ARG 15 11.894 -0.158 -3.401 133 HA ARG 15 HA ARG 15 11.596 -2.288 -2.971 134 HB2 ARG 15 HB2 ARG 15 8.664 -1.934 -3.822 135 HB3 ARG 15 HB1 ARG 15 9.341 -3.359 -2.963 136 HG2 ARG 15 HG2 ARG 15 9.325 -0.492 -1.839 137 HG3 ARG 15 HG1 ARG 15 8.086 -1.741 -1.474 138 HD2 ARG 15 HD2 ARG 15 11.113 -2.079 -0.887 139 HD3 ARG 15 HD1 ARG 15 9.864 -1.566 0.332 140 HE ARG 15 HE ARG 15 8.901 -3.962 -0.858 141 HH11 ARG 15 HH11 ARG 15 11.694 -2.810 1.029 142 HH12 ARG 15 HH12 ARG 15 11.976 -4.321 1.825 143 HH21 ARG 15 HH21 ARG 15 9.283 -6.017 0.225 144 HH22 ARG 15 HH22 ARG 15 10.581 -6.176 1.359 145 H LYS 16 HN LYS 16 12.111 -1.126 -5.800 146 HA LYS 16 HA LYS 16 11.133 -3.376 -7.349 147 HB2 LYS 16 HB2 LYS 16 11.130 -1.103 -8.420 148 HB3 LYS 16 HB1 LYS 16 12.901 -0.983 -8.135 149 HG2 LYS 16 HG2 LYS 16 12.524 -1.593 -10.460 150 HG3 LYS 16 HG1 LYS 16 13.248 -2.998 -9.608 151 HD2 LYS 16 HD2 LYS 16 11.023 -4.078 -9.425 152 HD3 LYS 16 HD1 LYS 16 10.236 -2.640 -10.164 153 HE2 LYS 16 HE2 LYS 16 11.503 -3.039 -12.299 154 HE3 LYS 16 HE1 LYS 16 12.299 -4.486 -11.550 155 HZ1 LYS 16 HZ1 LYS 16 9.475 -4.572 -11.239 156 HZ2 LYS 16 HZ2 LYS 16 10.530 -5.679 -11.978 157 HZ3 LYS 16 HZ3 LYS 16 9.897 -4.383 -12.873 158 H LYS 17 HN LYS 17 12.243 -5.207 -6.628 159 HA LYS 17 HA LYS 17 15.113 -4.954 -6.325 160 HB2 LYS 17 HB2 LYS 17 13.800 -6.353 -4.678 161 HB3 LYS 17 HB1 LYS 17 13.270 -7.401 -6.038 162 HG2 LYS 17 HG2 LYS 17 15.638 -8.033 -6.495 163 HG3 LYS 17 HG1 LYS 17 16.189 -6.963 -5.159 164 HD2 LYS 17 HD2 LYS 17 14.884 -8.335 -3.522 165 HD3 LYS 17 HD1 LYS 17 14.324 -9.399 -4.858 166 HE2 LYS 17 HE2 LYS 17 16.696 -10.082 -5.322 167 HE3 LYS 17 HE1 LYS 17 17.266 -8.998 -3.985 168 HZ1 LYS 17 HZ1 LYS 17 16.758 -10.532 -2.527 169 HZ2 LYS 17 HZ2 LYS 17 16.443 -11.611 -3.800 170 HZ3 LYS 17 HZ3 LYS 17 15.176 -10.714 -3.113 Start of MODEL 10 1 H1 GLU 1 HT1 GLU 1 1.124 -0.519 6.905 2 H2 GLU 1 HT2 GLU 1 1.720 -1.067 8.398 3 H3 GLU 1 HT3 GLU 1 2.738 -1.032 7.038 4 HA GLU 1 HA GLU 1 2.825 1.271 6.998 5 HB2 GLU 1 HB2 GLU 1 0.372 1.610 7.488 6 HB3 GLU 1 HB1 GLU 1 0.692 1.207 9.212 7 HG2 GLU 1 HG2 GLU 1 2.181 3.208 9.436 8 HG3 GLU 1 HG1 GLU 1 1.924 3.608 7.690 9 H MET 2 HN MET 2 4.972 0.920 7.715 10 HA MET 2 HA MET 2 5.216 1.023 10.634 11 HB2 MET 2 HB2 MET 2 6.984 -0.561 8.674 12 HB3 MET 2 HB1 MET 2 7.354 -0.314 10.417 13 HG2 MET 2 HG2 MET 2 5.264 -1.513 11.047 14 HG3 MET 2 HG1 MET 2 4.867 -1.747 9.315 15 HE1 MET 2 HE1 MET 2 4.478 -4.195 9.730 16 HE2 MET 2 HE2 MET 2 4.897 -3.998 11.468 17 HE3 MET 2 HE3 MET 2 5.628 -5.334 10.513 18 H ARG 3 HN ARG 3 6.893 2.414 11.389 19 HA ARG 3 HA ARG 3 7.659 4.343 9.376 20 HB2 ARG 3 HB2 ARG 3 6.981 5.027 11.783 21 HB3 ARG 3 HB1 ARG 3 8.546 4.308 12.313 22 HG2 ARG 3 HG2 ARG 3 9.822 5.898 10.948 23 HG3 ARG 3 HG1 ARG 3 8.322 6.527 10.183 24 HD2 ARG 3 HD2 ARG 3 8.968 6.738 13.211 25 HD3 ARG 3 HD1 ARG 3 9.202 8.069 11.991 26 HE ARG 3 HE ARG 3 6.508 7.158 11.743 27 HH11 ARG 3 HH11 ARG 3 8.671 8.672 14.135 28 HH12 ARG 3 HH12 ARG 3 7.418 9.558 14.937 29 HH21 ARG 3 HH21 ARG 3 4.803 8.363 12.833 30 HH22 ARG 3 HH22 ARG 3 5.180 9.377 14.184 31 H LEU 4 HN LEU 4 8.885 1.389 10.598 32 HA LEU 4 HA LEU 4 11.593 1.944 10.738 33 HB2 LEU 4 HB2 LEU 4 10.132 -0.365 11.035 34 HB3 LEU 4 HB1 LEU 4 10.785 -0.637 9.382 35 HG LEU 4 HG LEU 4 12.226 -1.664 11.087 36 HD11 LEU 4 HD11 LEU 4 14.343 -0.933 10.257 37 HD12 LEU 4 HD12 LEU 4 13.775 0.765 10.027 38 HD13 LEU 4 HD13 LEU 4 13.179 -0.541 8.934 39 HD21 LEU 4 HD21 LEU 4 13.327 -0.489 12.866 40 HD22 LEU 4 HD22 LEU 4 11.612 0.071 12.916 41 HD23 LEU 4 HD23 LEU 4 12.884 1.127 12.195 42 H SER 5 HN SER 5 9.400 1.464 7.925 43 HA SER 5 HA SER 5 11.636 1.503 6.115 44 HB2 SER 5 HB2 SER 5 8.603 1.784 5.623 45 HB3 SER 5 HB1 SER 5 9.846 1.735 4.310 46 HG SER 5 HG SER 5 8.864 -0.286 4.788 47 H LYS 6 HN LYS 6 12.385 3.523 7.416 48 HA LYS 6 HA LYS 6 11.267 5.861 6.045 49 HB2 LYS 6 HB2 LYS 6 10.554 6.117 8.376 50 HB3 LYS 6 HB1 LYS 6 12.167 5.549 8.952 51 HG2 LYS 6 HG2 LYS 6 11.729 8.085 9.137 52 HG3 LYS 6 HG1 LYS 6 13.253 7.602 8.316 53 HD2 LYS 6 HD2 LYS 6 11.904 7.810 6.089 54 HD3 LYS 6 HD1 LYS 6 10.655 8.655 7.060 55 HE2 LYS 6 HE2 LYS 6 11.828 10.600 6.837 56 HE3 LYS 6 HE1 LYS 6 13.224 9.857 7.715 57 H PHE 7 HN PHE 7 13.973 4.467 7.911 58 HA PHE 7 HA PHE 7 15.871 6.301 7.365 59 HB2 PHE 7 HB2 PHE 7 16.093 3.273 7.405 60 HB3 PHE 7 HB1 PHE 7 17.462 4.412 7.692 61 HD1 PHE 7 HD1 PHE 7 14.805 2.547 9.042 62 HD2 PHE 7 HD2 PHE 7 17.208 5.991 9.662 63 HE1 PHE 7 HE1 PHE 7 14.196 2.544 11.399 64 HE2 PHE 7 HE2 PHE 7 16.590 5.981 12.030 65 HZ PHE 7 HZ PHE 7 15.085 4.254 12.854 66 H PHE 8 HN PHE 8 14.837 3.513 5.203 67 HA PHE 8 HA PHE 8 16.739 4.569 3.305 68 HB2 PHE 8 HB2 PHE 8 15.775 2.581 1.832 69 HB3 PHE 8 HB1 PHE 8 16.990 2.258 3.123 70 HD1 PHE 8 HD1 PHE 8 13.474 1.948 2.136 71 HD2 PHE 8 HD2 PHE 8 16.382 1.187 5.133 72 HE1 PHE 8 HE1 PHE 8 11.952 0.377 3.223 73 HE2 PHE 8 HE2 PHE 8 14.864 -0.376 6.213 74 HZ PHE 8 HZ PHE 8 12.646 -0.796 5.263 75 H ARG 9 HN ARG 9 13.431 4.896 4.149 76 HA ARG 9 HA ARG 9 12.448 5.338 1.530 77 HB2 ARG 9 HB2 ARG 9 11.010 4.888 3.621 78 HB3 ARG 9 HB1 ARG 9 11.399 6.569 4.125 79 HG2 ARG 9 HG2 ARG 9 10.350 6.204 1.317 80 HG3 ARG 9 HG1 ARG 9 9.194 5.904 2.670 81 HD2 ARG 9 HD2 ARG 9 9.664 8.172 3.601 82 HD3 ARG 9 HD1 ARG 9 10.872 8.466 2.280 83 HE ARG 9 HE ARG 9 7.901 8.394 1.985 84 HH11 ARG 9 HH11 ARG 9 11.145 8.467 0.493 85 HH12 ARG 9 HH12 ARG 9 10.589 9.067 -1.037 86 HH21 ARG 9 HH21 ARG 9 7.158 9.205 -0.095 87 HH22 ARG 9 HH22 ARG 9 8.288 9.491 -1.375 88 H ASN 10 HN ASN 10 14.119 7.209 4.044 89 HA ASN 10 HA ASN 10 13.667 9.756 3.021 90 HB2 ASN 10 HB2 ASN 10 16.171 8.585 4.394 91 HB3 ASN 10 HB1 ASN 10 15.945 10.337 4.060 92 HD21 ASN 10 HD21 ASN 10 12.845 9.635 4.707 93 H PHE 11 HN PHE 11 15.964 7.125 2.159 94 HA PHE 11 HA PHE 11 17.325 8.748 0.248 95 HB2 PHE 11 HB2 PHE 11 17.262 5.734 0.864 96 HB3 PHE 11 HB1 PHE 11 18.062 6.357 -0.637 97 HD1 PHE 11 HD1 PHE 11 18.483 5.627 2.804 98 HD2 PHE 11 HD2 PHE 11 19.779 8.247 -0.280 99 HE1 PHE 11 HE1 PHE 11 20.518 6.118 4.074 100 HE2 PHE 11 HE2 PHE 11 21.808 8.736 0.989 101 HZ PHE 11 HZ PHE 11 22.187 7.673 3.169 102 H ILE 12 HN ILE 12 15.195 5.785 -0.123 103 HA ILE 12 HA ILE 12 13.448 7.043 -1.856 104 HB ILE 12 HB ILE 12 15.312 7.066 -3.472 105 HG12 ILE 12 HG12 ILE 12 13.359 4.810 -4.162 106 HG13 ILE 12 HG11 ILE 12 12.913 6.554 -4.164 107 HG21 ILE 12 HG21 ILE 12 16.598 5.124 -4.021 108 HG22 ILE 12 HG22 ILE 12 15.412 4.002 -3.259 109 HG23 ILE 12 HG23 ILE 12 16.455 5.047 -2.226 110 HD11 ILE 12 HD11 ILE 12 13.556 6.443 -6.370 111 HD12 ILE 12 HD12 ILE 12 14.598 4.994 -6.103 112 HD13 ILE 12 HD13 ILE 12 15.214 6.637 -5.683 113 H LEU 13 HN LEU 13 11.652 5.723 -2.109 114 HA LEU 13 HA LEU 13 12.037 2.971 -1.183 115 HB2 LEU 13 HB2 LEU 13 10.769 4.339 0.520 116 HB3 LEU 13 HB1 LEU 13 9.597 4.799 -0.763 117 HG LEU 13 HG LEU 13 8.999 2.390 -1.069 118 HD11 LEU 13 HD11 LEU 13 9.773 0.986 1.153 119 HD12 LEU 13 HD12 LEU 13 11.230 2.027 0.936 120 HD13 LEU 13 HD13 LEU 13 10.680 0.954 -0.407 121 HD21 LEU 13 HD21 LEU 13 7.603 3.791 0.394 122 HD22 LEU 13 HD22 LEU 13 8.700 3.493 1.795 123 HD23 LEU 13 HD23 LEU 13 7.735 2.135 1.099 124 H GLN 14 HN GLN 14 11.632 1.551 -2.820 125 HA GLN 14 HA GLN 14 9.548 2.325 -4.716 126 HB2 GLN 14 HB2 GLN 14 12.353 1.281 -5.380 127 HB3 GLN 14 HB1 GLN 14 10.973 1.110 -6.521 128 HG2 GLN 14 HG2 GLN 14 11.938 3.824 -5.398 129 HG3 GLN 14 HG1 GLN 14 12.473 3.127 -6.980 130 HE21 GLN 14 HE21 GLN 14 10.258 5.239 -5.601 131 HE22 GLN 14 HE22 GLN 14 9.000 5.165 -6.787 132 H ARG 15 HN ARG 15 11.582 -0.099 -3.091 133 HA ARG 15 HA ARG 15 11.222 -2.197 -2.564 134 HB2 ARG 15 HB2 ARG 15 8.272 -1.750 -3.307 135 HB3 ARG 15 HB1 ARG 15 8.924 -3.159 -2.402 136 HG2 ARG 15 HG2 ARG 15 9.057 -0.236 -1.439 137 HG3 ARG 15 HG1 ARG 15 7.814 -1.430 -0.937 138 HD2 ARG 15 HD2 ARG 15 10.860 -1.804 -0.493 139 HD3 ARG 15 HD1 ARG 15 9.686 -1.206 0.760 140 HE ARG 15 HE ARG 15 8.616 -3.636 -0.245 141 HH11 ARG 15 HH11 ARG 15 11.544 -2.457 1.405 142 HH12 ARG 15 HH12 ARG 15 11.851 -3.937 2.250 143 HH21 ARG 15 HH21 ARG 15 9.032 -5.649 0.904 144 HH22 ARG 15 HH22 ARG 15 10.397 -5.784 1.959 145 H LYS 16 HN LYS 16 11.688 -1.179 -5.430 146 HA LYS 16 HA LYS 16 10.395 -2.938 -7.161 147 HB2 LYS 16 HB2 LYS 16 11.661 -0.911 -7.945 148 HB3 LYS 16 HB1 LYS 16 13.189 -1.682 -7.400 149 HG2 LYS 16 HG2 LYS 16 12.992 -1.952 -9.810 150 HG3 LYS 16 HG1 LYS 16 12.794 -3.560 -9.035 151 HD2 LYS 16 HD2 LYS 16 10.335 -3.423 -9.296 152 HD3 LYS 16 HD1 LYS 16 10.471 -1.759 -9.962 153 HE2 LYS 16 HE2 LYS 16 11.755 -2.646 -11.931 154 HE3 LYS 16 HE1 LYS 16 11.625 -4.324 -11.254 155 HZ1 LYS 16 HZ1 LYS 16 9.152 -2.801 -11.534 156 HZ2 LYS 16 HZ2 LYS 16 9.473 -4.447 -11.792 157 HZ3 LYS 16 HZ3 LYS 16 9.913 -3.303 -12.966 158 H LYS 17 HN LYS 17 13.478 -3.159 -5.307 159 HA LYS 17 HA LYS 17 13.702 -5.917 -6.244 160 HB2 LYS 17 HB2 LYS 17 15.774 -4.480 -6.414 161 HB3 LYS 17 HB1 LYS 17 15.678 -4.182 -4.643 162 HG2 LYS 17 HG2 LYS 17 15.975 -6.613 -4.198 163 HG3 LYS 17 HG1 LYS 17 16.028 -6.942 -5.965 164 HD2 LYS 17 HD2 LYS 17 18.081 -5.546 -6.180 165 HD3 LYS 17 HD1 LYS 17 18.011 -5.146 -4.430 166 HE2 LYS 17 HE2 LYS 17 19.679 -6.946 -4.826 167 HE3 LYS 17 HE1 LYS 17 18.280 -7.619 -3.891 168 HZ1 LYS 17 HZ1 LYS 17 19.314 -8.616 -6.180 169 HZ2 LYS 17 HZ2 LYS 17 17.947 -7.778 -6.741 170 HZ3 LYS 17 HZ3 LYS 17 17.781 -8.967 -5.539 Start of MODEL 11 1 H1 GLU 1 HT1 GLU 1 3.902 0.227 5.137 2 H2 GLU 1 HT2 GLU 1 3.253 1.204 6.367 3 H3 GLU 1 HT3 GLU 1 2.217 0.383 5.299 4 HA GLU 1 HA GLU 1 2.065 -1.075 6.939 5 HB2 GLU 1 HB2 GLU 1 3.419 -2.157 5.034 6 HB3 GLU 1 HB1 GLU 1 4.893 -1.840 6.014 7 HG2 GLU 1 HG2 GLU 1 4.024 -3.287 7.856 8 HG3 GLU 1 HG1 GLU 1 2.495 -3.570 6.930 9 H MET 2 HN MET 2 5.255 0.603 7.077 10 HA MET 2 HA MET 2 4.922 0.786 9.915 11 HB2 MET 2 HB2 MET 2 7.154 -0.157 10.498 12 HB3 MET 2 HB1 MET 2 6.095 -1.423 9.788 13 HG2 MET 2 HG2 MET 2 7.193 -1.034 7.545 14 HG3 MET 2 HG1 MET 2 8.299 0.142 8.319 15 HE1 MET 2 HE1 MET 2 7.000 -3.250 7.786 16 HE2 MET 2 HE2 MET 2 6.929 -3.552 9.557 17 HE3 MET 2 HE3 MET 2 8.120 -4.436 8.542 18 H ARG 3 HN ARG 3 6.484 2.375 10.830 19 HA ARG 3 HA ARG 3 7.171 4.262 8.732 20 HB2 ARG 3 HB2 ARG 3 6.052 5.128 10.838 21 HB3 ARG 3 HB1 ARG 3 7.482 4.556 11.776 22 HG2 ARG 3 HG2 ARG 3 8.964 6.128 10.669 23 HG3 ARG 3 HG1 ARG 3 7.719 6.557 9.445 24 HD2 ARG 3 HD2 ARG 3 6.315 7.645 11.223 25 HD3 ARG 3 HD1 ARG 3 7.521 7.148 12.490 26 HE ARG 3 HE ARG 3 8.983 8.860 11.715 27 HH11 ARG 3 HH11 ARG 3 6.275 8.343 9.447 28 HH12 ARG 3 HH12 ARG 3 6.621 9.738 8.481 29 HH21 ARG 3 HH21 ARG 3 9.446 10.751 10.399 30 HH22 ARG 3 HH22 ARG 3 8.453 11.127 9.031 31 H LEU 4 HN LEU 4 8.666 1.661 10.405 32 HA LEU 4 HA LEU 4 11.176 2.762 10.836 33 HB2 LEU 4 HB2 LEU 4 10.607 0.472 11.664 34 HB3 LEU 4 HB1 LEU 4 10.521 -0.109 9.961 35 HG LEU 4 HG LEU 4 12.898 0.442 9.606 36 HD11 LEU 4 HD11 LEU 4 12.771 1.468 12.504 37 HD12 LEU 4 HD12 LEU 4 13.253 2.364 11.011 38 HD13 LEU 4 HD13 LEU 4 14.320 1.061 11.670 39 HD21 LEU 4 HD21 LEU 4 13.641 -1.104 11.860 40 HD22 LEU 4 HD22 LEU 4 13.148 -1.718 10.236 41 HD23 LEU 4 HD23 LEU 4 11.923 -1.563 11.552 42 H SER 5 HN SER 5 9.637 1.435 7.846 43 HA SER 5 HA SER 5 12.073 1.770 6.382 44 HB2 SER 5 HB2 SER 5 9.162 1.411 5.425 45 HB3 SER 5 HB1 SER 5 10.599 1.453 4.326 46 HG SER 5 HG SER 5 9.685 -0.640 5.224 47 H LYS 6 HN LYS 6 12.184 4.033 7.535 48 HA LYS 6 HA LYS 6 10.962 5.951 5.679 49 HB2 LYS 6 HB2 LYS 6 9.845 6.252 7.889 50 HB3 LYS 6 HB1 LYS 6 11.464 6.256 8.692 51 HG2 LYS 6 HG2 LYS 6 11.231 8.251 6.480 52 HG3 LYS 6 HG1 LYS 6 10.040 8.525 7.793 53 HD2 LYS 6 HD2 LYS 6 11.748 8.873 9.423 54 HD3 LYS 6 HD1 LYS 6 13.009 8.084 8.417 55 HE2 LYS 6 HE2 LYS 6 11.619 10.618 7.380 56 HE3 LYS 6 HE1 LYS 6 12.932 10.752 8.613 57 H PHE 7 HN PHE 7 13.462 5.305 8.142 58 HA PHE 7 HA PHE 7 15.044 7.448 7.636 59 HB2 PHE 7 HB2 PHE 7 15.810 4.587 8.320 60 HB3 PHE 7 HB1 PHE 7 16.848 6.033 8.613 61 HD1 PHE 7 HD1 PHE 7 14.263 3.914 9.768 62 HD2 PHE 7 HD2 PHE 7 15.961 7.784 10.173 63 HE1 PHE 7 HE1 PHE 7 13.138 4.183 11.915 64 HE2 PHE 7 HE2 PHE 7 14.834 8.040 12.329 65 HZ PHE 7 HZ PHE 7 13.433 6.227 13.153 66 H PHE 8 HN PHE 8 14.961 4.251 5.856 67 HA PHE 8 HA PHE 8 17.037 5.369 4.200 68 HB2 PHE 8 HB2 PHE 8 16.568 3.047 2.899 69 HB3 PHE 8 HB1 PHE 8 17.676 3.157 4.314 70 HD1 PHE 8 HD1 PHE 8 14.436 1.993 3.094 71 HD2 PHE 8 HD2 PHE 8 17.008 2.356 6.452 72 HE1 PHE 8 HE1 PHE 8 13.105 0.337 4.300 73 HE2 PHE 8 HE2 PHE 8 15.680 0.708 7.651 74 HZ PHE 8 HZ PHE 8 13.725 -0.314 6.582 75 H ARG 9 HN ARG 9 13.590 5.148 4.340 76 HA ARG 9 HA ARG 9 13.157 5.182 1.539 77 HB2 ARG 9 HB2 ARG 9 11.406 4.632 3.373 78 HB3 ARG 9 HB1 ARG 9 11.346 6.403 3.680 79 HG2 ARG 9 HG2 ARG 9 11.040 5.488 0.814 80 HG3 ARG 9 HG1 ARG 9 9.683 5.133 1.953 81 HD2 ARG 9 HD2 ARG 9 9.648 7.598 2.596 82 HD3 ARG 9 HD1 ARG 9 10.915 7.891 1.331 83 HE ARG 9 HE ARG 9 9.282 7.522 -0.362 84 HH11 ARG 9 HH11 ARG 9 8.037 6.707 2.879 85 HH12 ARG 9 HH12 ARG 9 6.383 6.585 2.379 86 HH21 ARG 9 HH21 ARG 9 7.036 7.352 -1.036 87 HH22 ARG 9 HH22 ARG 9 5.806 6.956 0.115 88 H ASN 10 HN ASN 10 13.740 7.547 4.136 89 HA ASN 10 HA ASN 10 13.182 9.851 2.696 90 HB2 ASN 10 HB2 ASN 10 15.245 9.294 4.916 91 HB3 ASN 10 HB1 ASN 10 14.919 10.943 4.273 92 HD21 ASN 10 HD21 ASN 10 14.512 9.700 7.048 93 H PHE 11 HN PHE 11 16.047 7.676 2.826 94 HA PHE 11 HA PHE 11 17.610 9.394 1.178 95 HB2 PHE 11 HB2 PHE 11 17.850 6.506 2.157 96 HB3 PHE 11 HB1 PHE 11 18.798 6.998 0.697 97 HD1 PHE 11 HD1 PHE 11 18.674 6.981 4.261 98 HD2 PHE 11 HD2 PHE 11 20.251 9.071 0.912 99 HE1 PHE 11 HE1 PHE 11 20.405 7.966 5.688 100 HE2 PHE 11 HE2 PHE 11 21.974 10.056 2.339 101 HZ PHE 11 HZ PHE 11 22.059 9.506 4.730 102 H ILE 12 HN ILE 12 16.060 6.139 0.565 103 HA ILE 12 HA ILE 12 14.604 6.924 -1.604 104 HB ILE 12 HB ILE 12 16.727 7.350 -2.794 105 HG12 ILE 12 HG12 ILE 12 15.503 4.707 -3.740 106 HG13 ILE 12 HG11 ILE 12 14.694 6.305 -3.926 107 HG21 ILE 12 HG21 ILE 12 18.516 5.804 -2.885 108 HG22 ILE 12 HG22 ILE 12 17.464 4.396 -2.484 109 HG23 ILE 12 HG23 ILE 12 17.926 5.570 -1.197 110 HD11 ILE 12 HD11 ILE 12 17.358 6.693 -4.881 111 HD12 ILE 12 HD12 ILE 12 15.845 6.587 -5.859 112 HD13 ILE 12 HD13 ILE 12 16.825 5.104 -5.548 113 H LEU 13 HN LEU 13 13.232 5.232 -2.132 114 HA LEU 13 HA LEU 13 14.067 2.609 -1.160 115 HB2 LEU 13 HB2 LEU 13 12.431 3.634 0.491 116 HB3 LEU 13 HB1 LEU 13 11.270 3.854 -0.860 117 HG LEU 13 HG LEU 13 11.252 1.380 -1.234 118 HD11 LEU 13 HD11 LEU 13 13.060 0.226 -0.449 119 HD12 LEU 13 HD12 LEU 13 12.196 0.231 1.136 120 HD13 LEU 13 HD13 LEU 13 13.449 1.482 0.791 121 HD21 LEU 13 HD21 LEU 13 10.529 1.431 1.652 122 HD22 LEU 13 HD22 LEU 13 9.488 1.213 0.194 123 HD23 LEU 13 HD23 LEU 13 9.927 2.874 0.749 124 H GLN 14 HN GLN 14 13.962 1.140 -2.824 125 HA GLN 14 HA GLN 14 11.893 1.561 -4.812 126 HB2 GLN 14 HB2 GLN 14 14.896 1.357 -5.440 127 HB3 GLN 14 HB1 GLN 14 13.618 0.977 -6.649 128 HG2 GLN 14 HG2 GLN 14 12.724 3.296 -6.480 129 HG3 GLN 14 HG1 GLN 14 13.962 3.694 -5.224 130 HE21 GLN 14 HE21 GLN 14 13.332 4.182 -8.414 131 HE22 GLN 14 HE22 GLN 14 14.932 4.189 -9.072 132 H ARG 15 HN ARG 15 11.244 -0.211 -3.230 133 HA ARG 15 HA ARG 15 12.775 -2.546 -3.190 134 HB2 ARG 15 HB2 ARG 15 9.770 -2.132 -2.724 135 HB3 ARG 15 HB1 ARG 15 10.607 -3.704 -2.467 136 HG2 ARG 15 HG2 ARG 15 11.340 -1.083 -1.028 137 HG3 ARG 15 HG1 ARG 15 10.259 -2.351 -0.354 138 HD2 ARG 15 HD2 ARG 15 12.173 -4.025 -0.523 139 HD3 ARG 15 HD1 ARG 15 13.256 -2.671 -1.079 140 HE ARG 15 HE ARG 15 11.938 -1.874 1.358 141 HH11 ARG 15 HH11 ARG 15 14.340 -4.178 0.088 142 HH12 ARG 15 HH12 ARG 15 15.269 -4.253 1.549 143 HH21 ARG 15 HH21 ARG 15 13.202 -1.976 3.345 144 HH22 ARG 15 HH22 ARG 15 14.611 -2.979 3.430 145 H LYS 16 HN LYS 16 10.137 -1.338 -5.297 146 HA LYS 16 HA LYS 16 9.324 -2.081 -7.221 147 HB2 LYS 16 HB2 LYS 16 12.004 -3.555 -7.520 148 HB3 LYS 16 HB1 LYS 16 10.813 -3.277 -8.837 149 HG2 LYS 16 HG2 LYS 16 12.259 -1.052 -7.274 150 HG3 LYS 16 HG1 LYS 16 12.761 -1.678 -8.882 151 HD2 LYS 16 HD2 LYS 16 10.518 -1.002 -9.817 152 HD3 LYS 16 HD1 LYS 16 10.072 -0.323 -8.214 153 HE2 LYS 16 HE2 LYS 16 11.980 1.307 -8.368 154 HE3 LYS 16 HE1 LYS 16 12.426 0.622 -9.987 155 HZ1 LYS 16 HZ1 LYS 16 9.878 1.128 -10.390 156 HZ2 LYS 16 HZ2 LYS 16 11.099 2.285 -10.628 157 HZ3 LYS 16 HZ3 LYS 16 10.174 2.306 -9.204 158 H LYS 17 HN LYS 17 8.565 -3.525 -4.896 159 HA LYS 17 HA LYS 17 7.560 -5.397 -4.308 160 HB2 LYS 17 HB2 LYS 17 6.463 -5.140 -6.635 161 HB3 LYS 17 HB1 LYS 17 7.691 -6.306 -7.238 162 HG2 LYS 17 HG2 LYS 17 6.886 -8.023 -5.633 163 HG3 LYS 17 HG1 LYS 17 5.693 -6.856 -4.965 164 HD2 LYS 17 HD2 LYS 17 4.586 -6.715 -7.214 165 HD3 LYS 17 HD1 LYS 17 5.774 -7.896 -7.868 166 HE2 LYS 17 HE2 LYS 17 4.947 -9.636 -6.259 167 HE3 LYS 17 HE1 LYS 17 3.761 -8.444 -5.580 168 HZ1 LYS 17 HZ1 LYS 17 3.872 -9.237 -8.443 169 HZ2 LYS 17 HZ2 LYS 17 2.670 -8.336 -7.651 170 HZ3 LYS 17 HZ3 LYS 17 2.881 -9.980 -7.282 Start of MODEL 12 1 H1 GLU 1 HT1 GLU 1 3.918 -1.139 6.984 2 H2 GLU 1 HT2 GLU 1 3.156 -0.428 5.642 3 H3 GLU 1 HT3 GLU 1 2.270 -1.429 6.691 4 HA GLU 1 HA GLU 1 2.809 1.340 6.852 5 HB2 GLU 1 HB2 GLU 1 1.055 -0.646 8.402 6 HB3 GLU 1 HB1 GLU 1 1.015 1.128 8.704 7 HG2 GLU 1 HG2 GLU 1 0.262 1.569 6.384 8 HG3 GLU 1 HG1 GLU 1 0.428 -0.181 5.963 9 H MET 2 HN MET 2 5.268 0.753 7.517 10 HA MET 2 HA MET 2 5.256 0.938 10.442 11 HB2 MET 2 HB2 MET 2 7.282 -0.583 8.694 12 HB3 MET 2 HB1 MET 2 7.488 -0.257 10.451 13 HG2 MET 2 HG2 MET 2 5.433 -1.571 10.950 14 HG3 MET 2 HG1 MET 2 5.200 -1.889 9.202 15 HE1 MET 2 HE1 MET 2 4.937 -4.351 9.701 16 HE2 MET 2 HE2 MET 2 5.198 -4.045 11.452 17 HE3 MET 2 HE3 MET 2 6.092 -5.370 10.630 18 H ARG 3 HN ARG 3 6.806 2.429 11.293 19 HA ARG 3 HA ARG 3 7.576 4.386 9.322 20 HB2 ARG 3 HB2 ARG 3 6.769 5.143 11.608 21 HB3 ARG 3 HB1 ARG 3 8.212 4.340 12.331 22 HG2 ARG 3 HG2 ARG 3 9.738 5.853 11.179 23 HG3 ARG 3 HG1 ARG 3 8.407 6.546 10.189 24 HD2 ARG 3 HD2 ARG 3 9.008 8.112 12.041 25 HD3 ARG 3 HD1 ARG 3 7.345 7.444 12.342 26 HE ARG 3 HE ARG 3 8.206 6.237 14.210 27 HH11 ARG 3 HH11 ARG 3 10.827 7.635 12.232 28 HH12 ARG 3 HH12 ARG 3 12.077 7.308 13.385 29 HH21 ARG 3 HH21 ARG 3 9.907 5.796 15.771 30 HH22 ARG 3 HH22 ARG 3 11.544 6.244 15.430 31 H LEU 4 HN LEU 4 8.930 1.518 10.666 32 HA LEU 4 HA LEU 4 11.588 2.298 10.844 33 HB2 LEU 4 HB2 LEU 4 10.813 0.043 11.625 34 HB3 LEU 4 HB1 LEU 4 10.493 -0.421 9.914 35 HG LEU 4 HG LEU 4 12.865 -0.184 9.339 36 HD11 LEU 4 HD11 LEU 4 14.559 0.199 11.258 37 HD12 LEU 4 HD12 LEU 4 13.165 0.791 12.242 38 HD13 LEU 4 HD13 LEU 4 13.615 1.641 10.714 39 HD21 LEU 4 HD21 LEU 4 12.076 -2.382 10.233 40 HD22 LEU 4 HD22 LEU 4 12.518 -1.865 11.904 41 HD23 LEU 4 HD23 LEU 4 13.803 -2.072 10.654 42 H SER 5 HN SER 5 9.554 1.362 8.005 43 HA SER 5 HA SER 5 11.833 1.487 6.270 44 HB2 SER 5 HB2 SER 5 8.810 1.503 5.662 45 HB3 SER 5 HB1 SER 5 10.104 1.439 4.399 46 HG SER 5 HG SER 5 9.329 -0.607 4.927 47 H LYS 6 HN LYS 6 12.181 3.694 7.635 48 HA LYS 6 HA LYS 6 11.010 5.840 5.990 49 HB2 LYS 6 HB2 LYS 6 10.304 6.158 8.346 50 HB3 LYS 6 HB1 LYS 6 11.994 5.830 8.900 51 HG2 LYS 6 HG2 LYS 6 11.855 8.036 6.904 52 HG3 LYS 6 HG1 LYS 6 10.848 8.371 8.349 53 HD2 LYS 6 HD2 LYS 6 12.739 8.236 9.826 54 HD3 LYS 6 HD1 LYS 6 13.764 7.440 8.585 55 HE2 LYS 6 HE2 LYS 6 12.642 10.255 8.074 56 HE3 LYS 6 HE1 LYS 6 14.110 10.029 9.103 57 H PHE 7 HN PHE 7 13.787 4.678 7.903 58 HA PHE 7 HA PHE 7 15.525 6.664 7.267 59 HB2 PHE 7 HB2 PHE 7 16.006 3.682 7.619 60 HB3 PHE 7 HB1 PHE 7 17.272 4.958 7.791 61 HD1 PHE 7 HD1 PHE 7 14.665 3.098 9.295 62 HD2 PHE 7 HD2 PHE 7 16.926 6.679 9.583 63 HE1 PHE 7 HE1 PHE 7 13.981 3.344 11.621 64 HE2 PHE 7 HE2 PHE 7 16.240 6.909 11.922 65 HZ PHE 7 HZ PHE 7 14.765 5.229 12.889 66 H PHE 8 HN PHE 8 14.650 3.717 5.285 67 HA PHE 8 HA PHE 8 16.621 4.637 3.393 68 HB2 PHE 8 HB2 PHE 8 15.021 2.604 2.149 69 HB3 PHE 8 HB1 PHE 8 16.727 2.481 2.714 70 HD1 PHE 8 HD1 PHE 8 13.355 1.418 3.184 71 HD2 PHE 8 HD2 PHE 8 17.105 1.868 5.129 72 HE1 PHE 8 HE1 PHE 8 12.673 -0.205 4.881 73 HE2 PHE 8 HE2 PHE 8 16.420 0.249 6.821 74 HZ PHE 8 HZ PHE 8 14.204 -0.792 6.696 75 H ARG 9 HN ARG 9 13.170 4.866 4.044 76 HA ARG 9 HA ARG 9 12.435 5.489 1.397 77 HB2 ARG 9 HB2 ARG 9 10.821 4.907 3.323 78 HB3 ARG 9 HB1 ARG 9 11.108 6.579 3.928 79 HG2 ARG 9 HG2 ARG 9 9.615 7.405 2.478 80 HG3 ARG 9 HG1 ARG 9 10.540 6.721 1.082 81 HD2 ARG 9 HD2 ARG 9 9.313 4.577 1.265 82 HD3 ARG 9 HD1 ARG 9 8.456 5.152 2.764 83 HE ARG 9 HE ARG 9 7.999 7.066 0.668 84 HH11 ARG 9 HH11 ARG 9 7.282 3.696 1.569 85 HH12 ARG 9 HH12 ARG 9 5.769 3.631 0.731 86 HH21 ARG 9 HH21 ARG 9 5.939 6.978 -0.473 87 HH22 ARG 9 HH22 ARG 9 4.993 5.530 -0.450 88 H ASN 10 HN ASN 10 13.742 7.310 4.171 89 HA ASN 10 HA ASN 10 13.363 9.870 3.159 90 HB2 ASN 10 HB2 ASN 10 15.604 8.693 4.919 91 HB3 ASN 10 HB1 ASN 10 15.471 10.452 4.550 92 HD21 ASN 10 HD21 ASN 10 15.319 9.087 7.207 93 H PHE 11 HN PHE 11 15.761 7.292 2.512 94 HA PHE 11 HA PHE 11 17.237 9.000 0.731 95 HB2 PHE 11 HB2 PHE 11 17.334 5.995 1.436 96 HB3 PHE 11 HB1 PHE 11 18.202 6.631 -0.026 97 HD1 PHE 11 HD1 PHE 11 18.486 5.924 3.398 98 HD2 PHE 11 HD2 PHE 11 19.685 8.739 0.448 99 HE1 PHE 11 HE1 PHE 11 20.388 6.583 4.795 100 HE2 PHE 11 HE2 PHE 11 21.581 9.393 1.844 101 HZ PHE 11 HZ PHE 11 21.941 8.317 4.020 102 H ILE 12 HN ILE 12 16.267 5.747 -0.387 103 HA ILE 12 HA ILE 12 14.102 6.865 -1.942 104 HB ILE 12 HB ILE 12 16.359 5.259 -3.242 105 HG12 ILE 12 HG12 ILE 12 17.101 7.622 -2.787 106 HG13 ILE 12 HG11 ILE 12 16.964 7.245 -4.537 107 HG21 ILE 12 HG21 ILE 12 14.384 4.665 -4.370 108 HG22 ILE 12 HG22 ILE 12 14.916 6.090 -5.337 109 HG23 ILE 12 HG23 ILE 12 13.611 6.274 -4.106 110 HD11 ILE 12 HD11 ILE 12 14.444 8.382 -3.379 111 HD12 ILE 12 HD12 ILE 12 15.343 8.836 -4.874 112 HD13 ILE 12 HD13 ILE 12 15.862 9.490 -3.275 113 H LEU 13 HN LEU 13 12.458 5.390 -1.831 114 HA LEU 13 HA LEU 13 13.248 2.603 -1.509 115 HB2 LEU 13 HB2 LEU 13 12.629 3.529 0.776 116 HB3 LEU 13 HB1 LEU 13 11.040 4.023 0.095 117 HG LEU 13 HG LEU 13 10.545 1.630 -0.448 118 HD11 LEU 13 HD11 LEU 13 13.383 1.287 0.430 119 HD12 LEU 13 HD12 LEU 13 12.353 0.244 -0.623 120 HD13 LEU 13 HD13 LEU 13 12.240 0.104 1.172 121 HD21 LEU 13 HD21 LEU 13 9.504 1.511 1.558 122 HD22 LEU 13 HD22 LEU 13 10.473 2.943 2.079 123 HD23 LEU 13 HD23 LEU 13 11.067 1.274 2.431 124 H GLN 14 HN GLN 14 12.291 1.444 -3.142 125 HA GLN 14 HA GLN 14 9.765 2.551 -4.151 126 HB2 GLN 14 HB2 GLN 14 12.046 1.217 -5.711 127 HB3 GLN 14 HB1 GLN 14 10.400 1.484 -6.390 128 HG2 GLN 14 HG2 GLN 14 10.643 3.926 -6.224 129 HG3 GLN 14 HG1 GLN 14 12.209 3.756 -5.334 130 HE21 GLN 14 HE21 GLN 14 11.669 5.080 -7.971 131 HE22 GLN 14 HE22 GLN 14 12.686 4.283 -9.123 132 H ARG 15 HN ARG 15 11.684 -0.100 -2.952 133 HA ARG 15 HA ARG 15 11.197 -2.177 -2.446 134 HB2 ARG 15 HB2 ARG 15 8.242 -1.471 -2.918 135 HB3 ARG 15 HB1 ARG 15 8.851 -2.943 -2.088 136 HG2 ARG 15 HG2 ARG 15 9.332 -0.065 -1.104 137 HG3 ARG 15 HG1 ARG 15 8.009 -1.134 -0.527 138 HD2 ARG 15 HD2 ARG 15 11.020 -1.842 -0.319 139 HD3 ARG 15 HD1 ARG 15 10.023 -1.128 1.025 140 HE ARG 15 HE ARG 15 8.609 -3.412 0.099 141 HH11 ARG 15 HH11 ARG 15 11.766 -2.587 1.526 142 HH12 ARG 15 HH12 ARG 15 11.964 -4.098 2.348 143 HH21 ARG 15 HH21 ARG 15 8.876 -5.469 1.214 144 HH22 ARG 15 HH22 ARG 15 10.293 -5.766 2.166 145 H LYS 16 HN LYS 16 11.465 -1.105 -5.331 146 HA LYS 16 HA LYS 16 10.016 -3.201 -6.711 147 HB2 LYS 16 HB2 LYS 16 10.176 -0.918 -7.772 148 HB3 LYS 16 HB1 LYS 16 11.967 -1.060 -7.750 149 HG2 LYS 16 HG2 LYS 16 11.175 -1.575 -9.992 150 HG3 LYS 16 HG1 LYS 16 11.803 -3.083 -9.244 151 HD2 LYS 16 HD2 LYS 16 9.495 -3.833 -8.734 152 HD3 LYS 16 HD1 LYS 16 8.827 -2.286 -9.363 153 HE2 LYS 16 HE2 LYS 16 9.703 -2.833 -11.655 154 HE3 LYS 16 HE1 LYS 16 10.381 -4.390 -11.018 155 HZ1 LYS 16 HZ1 LYS 16 7.863 -3.940 -11.994 156 HZ2 LYS 16 HZ2 LYS 16 7.641 -4.056 -10.314 157 HZ3 LYS 16 HZ3 LYS 16 8.413 -5.312 -11.157 158 H LYS 17 HN LYS 17 10.973 -5.161 -6.107 159 HA LYS 17 HA LYS 17 13.872 -5.274 -6.242 160 HB2 LYS 17 HB2 LYS 17 12.868 -6.456 -4.327 161 HB3 LYS 17 HB1 LYS 17 11.723 -7.310 -5.416 162 HG2 LYS 17 HG2 LYS 17 13.492 -8.854 -4.755 163 HG3 LYS 17 HG1 LYS 17 13.660 -8.492 -6.505 164 HD2 LYS 17 HD2 LYS 17 15.489 -6.882 -6.027 165 HD3 LYS 17 HD1 LYS 17 15.277 -7.132 -4.259 166 HE2 LYS 17 HE2 LYS 17 15.939 -9.543 -4.516 167 HE3 LYS 17 HE1 LYS 17 16.144 -9.292 -6.300 168 HZ1 LYS 17 HZ1 LYS 17 18.010 -8.906 -4.339 169 HZ2 LYS 17 HZ2 LYS 17 17.543 -7.332 -4.772 170 HZ3 LYS 17 HZ3 LYS 17 18.106 -8.408 -5.959 Start of MODEL 13 1 H1 GLU 1 HT1 GLU 1 3.892 -0.323 5.047 2 H2 GLU 1 HT2 GLU 1 3.704 1.071 5.999 3 H3 GLU 1 HT3 GLU 1 2.401 0.488 5.079 4 HA GLU 1 HA GLU 1 1.762 -0.399 6.990 5 HB2 GLU 1 HB2 GLU 1 2.490 -2.308 5.445 6 HB3 GLU 1 HB1 GLU 1 4.040 -2.361 6.357 7 HG2 GLU 1 HG2 GLU 1 2.810 -2.921 8.468 8 HG3 GLU 1 HG1 GLU 1 1.234 -2.826 7.584 9 H MET 2 HN MET 2 5.342 -0.038 6.914 10 HA MET 2 HA MET 2 5.175 0.360 9.816 11 HB2 MET 2 HB2 MET 2 7.428 -1.006 8.224 12 HB3 MET 2 HB1 MET 2 7.578 -0.487 9.939 13 HG2 MET 2 HG2 MET 2 5.776 -2.025 10.614 14 HG3 MET 2 HG1 MET 2 5.478 -2.480 8.907 15 HE1 MET 2 HE1 MET 2 7.616 -2.258 11.862 16 HE2 MET 2 HE2 MET 2 9.146 -2.118 10.929 17 HE3 MET 2 HE3 MET 2 8.785 -3.624 11.839 18 H ARG 3 HN ARG 3 6.348 2.169 10.587 19 HA ARG 3 HA ARG 3 7.005 4.028 8.483 20 HB2 ARG 3 HB2 ARG 3 5.882 4.760 10.702 21 HB3 ARG 3 HB1 ARG 3 7.469 4.434 11.490 22 HG2 ARG 3 HG2 ARG 3 8.574 6.116 10.026 23 HG3 ARG 3 HG1 ARG 3 7.031 6.402 9.154 24 HD2 ARG 3 HD2 ARG 3 7.341 8.215 10.803 25 HD3 ARG 3 HD1 ARG 3 5.999 7.146 11.406 26 HE ARG 3 HE ARG 3 7.417 6.429 13.182 27 HH11 ARG 3 HH11 ARG 3 9.229 8.277 10.726 28 HH12 ARG 3 HH12 ARG 3 10.666 8.428 11.682 29 HH21 ARG 3 HH21 ARG 3 9.369 6.640 14.475 30 HH22 ARG 3 HH22 ARG 3 10.746 7.482 13.847 31 H LEU 4 HN LEU 4 8.619 1.530 10.196 32 HA LEU 4 HA LEU 4 11.118 2.631 10.587 33 HB2 LEU 4 HB2 LEU 4 10.062 0.061 10.825 34 HB3 LEU 4 HB1 LEU 4 11.141 -0.127 9.400 35 HG LEU 4 HG LEU 4 12.326 -0.717 11.457 36 HD11 LEU 4 HD11 LEU 4 13.446 1.995 10.531 37 HD12 LEU 4 HD12 LEU 4 13.527 0.497 9.527 38 HD13 LEU 4 HD13 LEU 4 14.351 0.553 11.133 39 HD21 LEU 4 HD21 LEU 4 10.882 0.897 12.926 40 HD22 LEU 4 HD22 LEU 4 12.083 2.166 12.478 41 HD23 LEU 4 HD23 LEU 4 12.621 0.686 13.358 42 H SER 5 HN SER 5 9.449 1.639 7.577 43 HA SER 5 HA SER 5 11.886 1.940 6.062 44 HB2 SER 5 HB2 SER 5 8.938 1.659 5.191 45 HB3 SER 5 HB1 SER 5 10.323 1.796 4.036 46 HG SER 5 HG SER 5 10.410 -0.118 6.082 47 H LYS 6 HN LYS 6 12.204 4.099 7.219 48 HA LYS 6 HA LYS 6 10.935 6.167 5.590 49 HB2 LYS 6 HB2 LYS 6 9.741 6.489 7.660 50 HB3 LYS 6 HB1 LYS 6 11.174 5.973 8.622 51 HG2 LYS 6 HG2 LYS 6 10.606 8.462 8.757 52 HG3 LYS 6 HG1 LYS 6 12.298 8.081 8.303 53 HD2 LYS 6 HD2 LYS 6 11.427 8.333 5.818 54 HD3 LYS 6 HD1 LYS 6 10.028 9.170 6.564 55 HE2 LYS 6 HE2 LYS 6 11.298 11.077 6.483 56 HE3 LYS 6 HE1 LYS 6 12.276 10.368 7.828 57 H PHE 7 HN PHE 7 13.338 5.436 8.118 58 HA PHE 7 HA PHE 7 15.035 7.497 7.691 59 HB2 PHE 7 HB2 PHE 7 15.685 4.588 8.296 60 HB3 PHE 7 HB1 PHE 7 16.741 5.995 8.697 61 HD1 PHE 7 HD1 PHE 7 14.125 3.849 9.673 62 HD2 PHE 7 HD2 PHE 7 15.779 7.709 10.285 63 HE1 PHE 7 HE1 PHE 7 12.941 4.016 11.795 64 HE2 PHE 7 HE2 PHE 7 14.591 7.869 12.417 65 HZ PHE 7 HZ PHE 7 13.185 6.012 13.131 66 H PHE 8 HN PHE 8 14.915 4.301 5.906 67 HA PHE 8 HA PHE 8 17.017 5.395 4.255 68 HB2 PHE 8 HB2 PHE 8 16.912 3.065 3.097 69 HB3 PHE 8 HB1 PHE 8 17.639 3.161 4.744 70 HD1 PHE 8 HD1 PHE 8 14.745 2.072 2.775 71 HD2 PHE 8 HD2 PHE 8 16.536 2.259 6.619 72 HE1 PHE 8 HE1 PHE 8 13.166 0.403 3.598 73 HE2 PHE 8 HE2 PHE 8 14.960 0.598 7.437 74 HZ PHE 8 HZ PHE 8 13.272 -0.345 5.933 75 H ARG 9 HN ARG 9 13.586 5.084 4.346 76 HA ARG 9 HA ARG 9 13.179 4.815 1.568 77 HB2 ARG 9 HB2 ARG 9 11.358 4.464 3.288 78 HB3 ARG 9 HB1 ARG 9 11.407 6.231 3.620 79 HG2 ARG 9 HG2 ARG 9 11.066 5.388 0.736 80 HG3 ARG 9 HG1 ARG 9 9.681 5.094 1.861 81 HD2 ARG 9 HD2 ARG 9 9.842 7.558 2.566 82 HD3 ARG 9 HD1 ARG 9 11.063 7.775 1.238 83 HE ARG 9 HE ARG 9 8.736 6.491 0.137 84 HH11 ARG 9 HH11 ARG 9 9.824 9.567 1.565 85 HH12 ARG 9 HH12 ARG 9 8.714 10.553 0.672 86 HH21 ARG 9 HH21 ARG 9 7.225 7.831 -1.080 87 HH22 ARG 9 HH22 ARG 9 7.210 9.547 -0.857 88 H ASN 10 HN ASN 10 13.684 7.560 3.820 89 HA ASN 10 HA ASN 10 13.133 9.550 1.949 90 HB2 ASN 10 HB2 ASN 10 15.046 9.531 4.358 91 HB3 ASN 10 HB1 ASN 10 14.676 11.011 3.396 92 HD21 ASN 10 HD21 ASN 10 13.993 9.760 6.298 93 H PHE 11 HN PHE 11 16.098 7.595 2.637 94 HA PHE 11 HA PHE 11 17.698 9.102 0.862 95 HB2 PHE 11 HB2 PHE 11 17.904 6.280 2.048 96 HB3 PHE 11 HB1 PHE 11 19.002 6.771 0.696 97 HD1 PHE 11 HD1 PHE 11 18.623 6.657 4.184 98 HD2 PHE 11 HD2 PHE 11 20.169 9.092 1.065 99 HE1 PHE 11 HE1 PHE 11 20.126 7.748 5.780 100 HE2 PHE 11 HE2 PHE 11 21.668 10.179 2.659 101 HZ PHE 11 HZ PHE 11 21.654 9.511 5.020 102 H ILE 12 HN ILE 12 15.889 5.943 0.530 103 HA ILE 12 HA ILE 12 14.711 6.499 -1.830 104 HB ILE 12 HB ILE 12 16.916 6.667 -2.920 105 HG12 ILE 12 HG12 ILE 12 15.642 3.973 -3.613 106 HG13 ILE 12 HG11 ILE 12 14.913 5.562 -4.049 107 HG21 ILE 12 HG21 ILE 12 17.480 3.751 -2.169 108 HG22 ILE 12 HG22 ILE 12 17.933 5.077 -1.033 109 HG23 ILE 12 HG23 ILE 12 18.625 5.039 -2.698 110 HD11 ILE 12 HD11 ILE 12 17.261 4.142 -5.234 111 HD12 ILE 12 HD12 ILE 12 17.533 5.898 -4.922 112 HD13 ILE 12 HD13 ILE 12 16.155 5.369 -5.961 113 H LEU 13 HN LEU 13 13.266 4.851 -2.269 114 HA LEU 13 HA LEU 13 13.848 2.314 -0.929 115 HB2 LEU 13 HB2 LEU 13 12.055 3.680 0.308 116 HB3 LEU 13 HB1 LEU 13 11.071 3.605 -1.193 117 HG LEU 13 HG LEU 13 12.105 0.968 -0.218 118 HD11 LEU 13 HD11 LEU 13 9.996 2.517 1.413 119 HD12 LEU 13 HD12 LEU 13 11.630 1.997 1.976 120 HD13 LEU 13 HD13 LEU 13 10.373 0.760 1.589 121 HD21 LEU 13 HD21 LEU 13 10.375 0.206 -1.474 122 HD22 LEU 13 HD22 LEU 13 10.083 1.912 -1.987 123 HD23 LEU 13 HD23 LEU 13 9.184 1.224 -0.582 124 H GLN 14 HN GLN 14 13.918 0.674 -2.397 125 HA GLN 14 HA GLN 14 12.202 0.974 -4.749 126 HB2 GLN 14 HB2 GLN 14 15.140 0.055 -4.695 127 HB3 GLN 14 HB1 GLN 14 14.032 -0.222 -6.089 128 HG2 GLN 14 HG2 GLN 14 13.774 2.191 -6.463 129 HG3 GLN 14 HG1 GLN 14 14.698 2.567 -4.955 130 HE21 GLN 14 HE21 GLN 14 15.312 3.264 -7.829 131 HE22 GLN 14 HE22 GLN 14 16.885 2.614 -8.142 132 H ARG 15 HN ARG 15 12.044 -0.299 -2.065 133 HA ARG 15 HA ARG 15 12.656 -2.999 -2.321 134 HB2 ARG 15 HB2 ARG 15 10.539 -1.610 -0.599 135 HB3 ARG 15 HB1 ARG 15 10.911 -3.363 -0.482 136 HG2 ARG 15 HG2 ARG 15 12.967 -1.113 -0.038 137 HG3 ARG 15 HG1 ARG 15 12.050 -1.929 1.273 138 HD2 ARG 15 HD2 ARG 15 13.979 -3.343 -0.704 139 HD3 ARG 15 HD1 ARG 15 14.345 -2.921 1.024 140 HE ARG 15 HE ARG 15 12.588 -5.111 0.068 141 HH11 ARG 15 HH11 ARG 15 13.559 -2.957 2.740 142 HH12 ARG 15 HH12 ARG 15 12.981 -4.003 3.994 143 HH21 ARG 15 HH21 ARG 15 11.804 -6.526 1.775 144 HH22 ARG 15 HH22 ARG 15 11.967 -6.064 3.436 145 H LYS 16 HN LYS 16 9.771 -1.050 -3.179 146 HA LYS 16 HA LYS 16 8.437 -3.474 -4.018 147 HB2 LYS 16 HB2 LYS 16 7.093 -1.618 -2.950 148 HB3 LYS 16 HB1 LYS 16 7.610 -0.522 -4.277 149 HG2 LYS 16 HG2 LYS 16 5.375 -1.285 -4.786 150 HG3 LYS 16 HG1 LYS 16 6.497 -2.087 -5.936 151 HD2 LYS 16 HD2 LYS 16 6.443 -4.169 -4.570 152 HD3 LYS 16 HD1 LYS 16 5.380 -3.369 -3.362 153 HE2 LYS 16 HE2 LYS 16 4.627 -3.789 -6.333 154 HE3 LYS 16 HE1 LYS 16 4.113 -4.869 -4.970 155 HZ1 LYS 16 HZ1 LYS 16 2.940 -2.514 -5.852 156 HZ2 LYS 16 HZ2 LYS 16 3.583 -2.181 -4.317 157 HZ3 LYS 16 HZ3 LYS 16 2.506 -3.477 -4.523 158 H LYS 17 HN LYS 17 9.682 -4.275 -5.750 159 HA LYS 17 HA LYS 17 10.383 -2.396 -7.833 160 HB2 LYS 17 HB2 LYS 17 10.709 -5.452 -7.669 161 HB3 LYS 17 HB1 LYS 17 11.336 -4.423 -9.005 162 HG2 LYS 17 HG2 LYS 17 12.725 -3.149 -7.296 163 HG3 LYS 17 HG1 LYS 17 12.186 -4.323 -6.047 164 HD2 LYS 17 HD2 LYS 17 13.645 -5.114 -8.642 165 HD3 LYS 17 HD1 LYS 17 14.473 -4.797 -7.078 166 HE2 LYS 17 HE2 LYS 17 13.117 -6.654 -6.010 167 HE3 LYS 17 HE1 LYS 17 12.366 -6.997 -7.625 168 HZ1 LYS 17 HZ1 LYS 17 14.947 -7.689 -6.601 169 HZ2 LYS 17 HZ2 LYS 17 15.039 -6.936 -8.120 170 HZ3 LYS 17 HZ3 LYS 17 14.077 -8.319 -7.915 Start of MODEL 14 1 H1 GLU 1 HT1 GLU 1 3.089 -1.844 4.962 2 H2 GLU 1 HT2 GLU 1 2.385 -2.750 6.214 3 H3 GLU 1 HT3 GLU 1 4.016 -2.288 6.314 4 HA GLU 1 HA GLU 1 2.760 0.063 5.964 5 HB2 GLU 1 HB2 GLU 1 1.114 -1.793 7.775 6 HB3 GLU 1 HB1 GLU 1 0.999 0.002 7.858 7 HG2 GLU 1 HG2 GLU 1 0.194 0.122 5.519 8 HG3 GLU 1 HG1 GLU 1 0.435 -1.658 5.309 9 H MET 2 HN MET 2 5.214 -0.138 6.642 10 HA MET 2 HA MET 2 5.240 0.200 9.557 11 HB2 MET 2 HB2 MET 2 7.375 -1.141 7.793 12 HB3 MET 2 HB1 MET 2 7.652 -0.639 9.498 13 HG2 MET 2 HG2 MET 2 5.692 -2.141 10.166 14 HG3 MET 2 HG1 MET 2 5.660 -2.745 8.480 15 HE1 MET 2 HE1 MET 2 8.774 -3.054 7.574 16 HE2 MET 2 HE2 MET 2 7.204 -3.882 7.289 17 HE3 MET 2 HE3 MET 2 8.626 -4.823 7.856 18 H ARG 3 HN ARG 3 6.385 2.023 10.271 19 HA ARG 3 HA ARG 3 7.159 3.798 8.094 20 HB2 ARG 3 HB2 ARG 3 5.736 4.639 10.095 21 HB3 ARG 3 HB1 ARG 3 7.215 4.415 11.098 22 HG2 ARG 3 HG2 ARG 3 8.459 6.043 9.724 23 HG3 ARG 3 HG1 ARG 3 7.079 6.193 8.583 24 HD2 ARG 3 HD2 ARG 3 7.051 8.139 10.107 25 HD3 ARG 3 HD1 ARG 3 5.655 7.066 10.558 26 HE ARG 3 HE ARG 3 6.764 6.543 12.603 27 HH11 ARG 3 HH11 ARG 3 8.922 8.277 10.350 28 HH12 ARG 3 HH12 ARG 3 10.161 8.568 11.526 29 HH21 ARG 3 HH21 ARG 3 8.447 6.945 14.193 30 HH22 ARG 3 HH22 ARG 3 9.887 7.798 13.745 31 H LEU 4 HN LEU 4 8.579 1.412 10.068 32 HA LEU 4 HA LEU 4 10.977 2.645 10.741 33 HB2 LEU 4 HB2 LEU 4 9.996 0.149 11.224 34 HB3 LEU 4 HB1 LEU 4 11.035 -0.243 9.812 35 HG LEU 4 HG LEU 4 12.210 -0.603 11.957 36 HD11 LEU 4 HD11 LEU 4 14.299 0.333 11.333 37 HD12 LEU 4 HD12 LEU 4 13.549 1.839 10.680 38 HD13 LEU 4 HD13 LEU 4 13.385 0.284 9.777 39 HD21 LEU 4 HD21 LEU 4 10.928 1.299 13.177 40 HD22 LEU 4 HD22 LEU 4 12.142 2.426 12.464 41 HD23 LEU 4 HD23 LEU 4 12.678 1.105 13.570 42 H SER 5 HN SER 5 9.794 1.168 7.670 43 HA SER 5 HA SER 5 12.390 1.505 6.481 44 HB2 SER 5 HB2 SER 5 11.029 1.025 4.280 45 HB3 SER 5 HB1 SER 5 11.150 -0.321 5.481 46 HG SER 5 HG SER 5 9.020 1.538 5.169 47 H LYS 6 HN LYS 6 12.109 3.856 7.502 48 HA LYS 6 HA LYS 6 10.982 5.535 5.361 49 HB2 LYS 6 HB2 LYS 6 9.753 5.978 7.475 50 HB3 LYS 6 HB1 LYS 6 11.324 6.077 8.362 51 HG2 LYS 6 HG2 LYS 6 11.232 7.933 6.047 52 HG3 LYS 6 HG1 LYS 6 9.885 8.234 7.189 53 HD2 LYS 6 HD2 LYS 6 11.399 8.665 9.015 54 HD3 LYS 6 HD1 LYS 6 12.798 7.971 8.127 55 HE2 LYS 6 HE2 LYS 6 11.301 10.415 7.006 56 HE3 LYS 6 HE1 LYS 6 12.562 10.608 8.286 57 H PHE 7 HN PHE 7 13.476 5.104 7.879 58 HA PHE 7 HA PHE 7 14.947 7.318 7.359 59 HB2 PHE 7 HB2 PHE 7 15.871 4.508 8.045 60 HB3 PHE 7 HB1 PHE 7 16.828 6.009 8.332 61 HD1 PHE 7 HD1 PHE 7 14.511 3.693 9.571 62 HD2 PHE 7 HD2 PHE 7 15.720 7.755 9.830 63 HE1 PHE 7 HE1 PHE 7 13.399 3.886 11.729 64 HE2 PHE 7 HE2 PHE 7 14.604 7.939 12.000 65 HZ PHE 7 HZ PHE 7 13.454 5.992 12.904 66 H PHE 8 HN PHE 8 15.066 4.103 5.592 67 HA PHE 8 HA PHE 8 17.087 5.334 3.948 68 HB2 PHE 8 HB2 PHE 8 16.776 3.008 2.632 69 HB3 PHE 8 HB1 PHE 8 17.827 3.150 4.087 70 HD1 PHE 8 HD1 PHE 8 14.721 1.819 2.720 71 HD2 PHE 8 HD2 PHE 8 17.099 2.314 6.202 72 HE1 PHE 8 HE1 PHE 8 13.438 0.075 3.851 73 HE2 PHE 8 HE2 PHE 8 15.818 0.579 7.326 74 HZ PHE 8 HZ PHE 8 13.986 -0.554 6.159 75 H ARG 9 HN ARG 9 13.658 4.958 4.058 76 HA ARG 9 HA ARG 9 13.250 4.983 1.255 77 HB2 ARG 9 HB2 ARG 9 11.488 4.332 3.014 78 HB3 ARG 9 HB1 ARG 9 11.380 6.083 3.411 79 HG2 ARG 9 HG2 ARG 9 11.136 5.337 0.495 80 HG3 ARG 9 HG1 ARG 9 9.779 4.851 1.584 81 HD2 ARG 9 HD2 ARG 9 10.887 7.688 1.759 82 HD3 ARG 9 HD1 ARG 9 9.750 7.252 0.407 83 HE ARG 9 HE ARG 9 8.545 6.265 2.766 84 HH11 ARG 9 HH11 ARG 9 9.732 9.377 1.509 85 HH12 ARG 9 HH12 ARG 9 8.570 10.341 2.358 86 HH21 ARG 9 HH21 ARG 9 6.961 7.574 3.922 87 HH22 ARG 9 HH22 ARG 9 6.967 9.296 3.752 88 H ASN 10 HN ASN 10 13.678 7.369 3.867 89 HA ASN 10 HA ASN 10 13.059 9.639 2.388 90 HB2 ASN 10 HB2 ASN 10 15.068 9.199 4.683 91 HB3 ASN 10 HB1 ASN 10 14.687 10.826 4.009 92 HD21 ASN 10 HD21 ASN 10 14.256 9.688 6.784 93 H PHE 11 HN PHE 11 16.028 7.610 2.648 94 HA PHE 11 HA PHE 11 17.595 9.380 1.088 95 HB2 PHE 11 HB2 PHE 11 17.860 6.493 2.015 96 HB3 PHE 11 HB1 PHE 11 18.787 6.971 0.536 97 HD1 PHE 11 HD1 PHE 11 18.181 7.911 4.086 98 HD2 PHE 11 HD2 PHE 11 20.771 8.120 0.727 99 HE1 PHE 11 HE1 PHE 11 19.919 8.908 5.487 100 HE2 PHE 11 HE2 PHE 11 22.505 9.121 2.131 101 HZ PHE 11 HZ PHE 11 22.088 9.515 4.516 102 H ILE 12 HN ILE 12 16.020 6.166 0.315 103 HA ILE 12 HA ILE 12 14.649 6.998 -1.868 104 HB ILE 12 HB ILE 12 16.675 7.577 -3.079 105 HG12 ILE 12 HG12 ILE 12 16.688 5.817 -4.908 106 HG13 ILE 12 HG11 ILE 12 15.589 4.827 -3.892 107 HG21 ILE 12 HG21 ILE 12 17.703 4.792 -2.214 108 HG22 ILE 12 HG22 ILE 12 18.290 6.384 -1.604 109 HG23 ILE 12 HG23 ILE 12 18.556 5.925 -3.326 110 HD11 ILE 12 HD11 ILE 12 14.823 6.825 -5.760 111 HD12 ILE 12 HD12 ILE 12 14.596 7.614 -4.154 112 HD13 ILE 12 HD13 ILE 12 13.762 6.055 -4.520 113 H LEU 13 HN LEU 13 13.327 5.302 -2.493 114 HA LEU 13 HA LEU 13 14.245 2.644 -1.695 115 HB2 LEU 13 HB2 LEU 13 12.543 3.667 -0.001 116 HB3 LEU 13 HB1 LEU 13 11.354 3.611 -1.344 117 HG LEU 13 HG LEU 13 12.877 1.073 -0.801 118 HD11 LEU 13 HD11 LEU 13 11.079 0.534 1.050 119 HD12 LEU 13 HD12 LEU 13 10.951 2.326 1.223 120 HD13 LEU 13 HD13 LEU 13 12.533 1.503 1.501 121 HD21 LEU 13 HD21 LEU 13 9.959 0.826 -0.894 122 HD22 LEU 13 HD22 LEU 13 11.198 0.215 -2.053 123 HD23 LEU 13 HD23 LEU 13 10.527 1.878 -2.245 124 H GLN 14 HN GLN 14 14.217 1.346 -3.486 125 HA GLN 14 HA GLN 14 12.102 1.887 -5.431 126 HB2 GLN 14 HB2 GLN 14 15.086 1.436 -6.041 127 HB3 GLN 14 HB1 GLN 14 13.781 1.301 -7.275 128 HG2 GLN 14 HG2 GLN 14 13.192 3.670 -7.026 129 HG3 GLN 14 HG1 GLN 14 14.320 3.849 -5.623 130 HE21 GLN 14 HE21 GLN 14 14.338 5.250 -8.289 131 HE22 GLN 14 HE22 GLN 14 15.889 4.926 -8.982 132 H ARG 15 HN ARG 15 12.584 0.066 -3.124 133 HA ARG 15 HA ARG 15 13.433 -2.395 -4.105 134 HB2 ARG 15 HB2 ARG 15 11.532 -1.753 -1.788 135 HB3 ARG 15 HB1 ARG 15 12.163 -3.398 -2.139 136 HG2 ARG 15 HG2 ARG 15 13.965 -0.970 -1.573 137 HG3 ARG 15 HG1 ARG 15 13.399 -2.112 -0.308 138 HD2 ARG 15 HD2 ARG 15 14.519 -4.019 -1.534 139 HD3 ARG 15 HD1 ARG 15 15.130 -2.842 -2.776 140 HE ARG 15 HE ARG 15 16.062 -3.095 0.045 141 HH11 ARG 15 HH11 ARG 15 16.006 -1.261 -3.015 142 HH12 ARG 15 HH12 ARG 15 17.439 -0.351 -2.670 143 HH21 ARG 15 HH21 ARG 15 18.005 -1.855 0.507 144 HH22 ARG 15 HH22 ARG 15 18.593 -0.695 -0.635 145 H LYS 16 HN LYS 16 10.255 -0.756 -3.958 146 HA LYS 16 HA LYS 16 8.299 -1.233 -4.885 147 HB2 LYS 16 HB2 LYS 16 9.882 -2.977 -6.860 148 HB3 LYS 16 HB1 LYS 16 8.197 -2.391 -7.087 149 HG2 LYS 16 HG2 LYS 16 10.693 -0.598 -6.860 150 HG3 LYS 16 HG1 LYS 16 9.879 -1.063 -8.391 151 HD2 LYS 16 HD2 LYS 16 7.770 0.053 -7.587 152 HD3 LYS 16 HD1 LYS 16 8.619 0.549 -6.083 153 HE2 LYS 16 HE2 LYS 16 10.254 1.892 -7.444 154 HE3 LYS 16 HE1 LYS 16 9.387 1.399 -8.958 155 HZ1 LYS 16 HZ1 LYS 16 8.699 3.359 -6.971 156 HZ2 LYS 16 HZ2 LYS 16 7.409 2.329 -7.366 157 HZ3 LYS 16 HZ3 LYS 16 8.203 3.202 -8.587 158 H LYS 17 HN LYS 17 9.060 -2.805 -2.626 159 HA LYS 17 HA LYS 17 7.950 -5.416 -3.388 160 HB2 LYS 17 HB2 LYS 17 9.576 -4.547 -0.925 161 HB3 LYS 17 HB1 LYS 17 8.779 -6.153 -1.078 162 HG2 LYS 17 HG2 LYS 17 10.146 -6.653 -3.105 163 HG3 LYS 17 HG1 LYS 17 10.940 -5.046 -2.972 164 HD2 LYS 17 HD2 LYS 17 11.846 -5.680 -0.724 165 HD3 LYS 17 HD1 LYS 17 11.047 -7.285 -0.855 166 HE2 LYS 17 HE2 LYS 17 12.443 -7.828 -2.870 167 HE3 LYS 17 HE1 LYS 17 13.237 -6.201 -2.754 168 HZ1 LYS 17 HZ1 LYS 17 14.089 -8.461 -1.576 169 HZ2 LYS 17 HZ2 LYS 17 13.253 -7.717 -0.299 170 HZ3 LYS 17 HZ3 LYS 17 14.501 -6.886 -1.095 Start of MODEL 15 1 H1 GLU 1 HT1 GLU 1 3.414 -1.561 4.234 2 H2 GLU 1 HT2 GLU 1 4.716 -1.647 5.321 3 H3 GLU 1 HT3 GLU 1 4.402 -0.203 4.483 4 HA GLU 1 HA GLU 1 2.678 0.380 5.766 5 HB2 GLU 1 HB2 GLU 1 1.255 -1.237 7.044 6 HB3 GLU 1 HB1 GLU 1 1.332 -1.651 5.297 7 HG2 GLU 1 HG2 GLU 1 3.112 -3.386 5.797 8 HG3 GLU 1 HG1 GLU 1 2.961 -3.002 7.558 9 H MET 2 HN MET 2 5.613 -0.037 6.369 10 HA MET 2 HA MET 2 5.300 0.007 9.285 11 HB2 MET 2 HB2 MET 2 7.613 -1.208 7.659 12 HB3 MET 2 HB1 MET 2 7.683 -0.893 9.429 13 HG2 MET 2 HG2 MET 2 5.833 -2.464 9.835 14 HG3 MET 2 HG1 MET 2 5.610 -2.714 8.076 15 HE1 MET 2 HE1 MET 2 8.787 -4.244 10.988 16 HE2 MET 2 HE2 MET 2 7.608 -2.896 11.139 17 HE3 MET 2 HE3 MET 2 9.168 -2.634 10.285 18 H ARG 3 HN ARG 3 6.488 1.666 10.332 19 HA ARG 3 HA ARG 3 7.189 3.803 8.565 20 HB2 ARG 3 HB2 ARG 3 6.211 4.322 10.835 21 HB3 ARG 3 HB1 ARG 3 7.673 3.594 11.598 22 HG2 ARG 3 HG2 ARG 3 9.128 5.311 10.669 23 HG3 ARG 3 HG1 ARG 3 7.814 5.956 9.625 24 HD2 ARG 3 HD2 ARG 3 7.704 5.961 12.725 25 HD3 ARG 3 HD1 ARG 3 8.255 7.369 11.711 26 HE ARG 3 HE ARG 3 5.707 6.525 10.718 27 HH11 ARG 3 HH11 ARG 3 7.212 7.881 13.647 28 HH12 ARG 3 HH12 ARG 3 5.804 8.754 14.154 29 HH21 ARG 3 HH21 ARG 3 3.791 7.713 11.405 30 HH22 ARG 3 HH22 ARG 3 3.825 8.655 12.856 31 H LEU 4 HN LEU 4 8.844 1.047 9.913 32 HA LEU 4 HA LEU 4 11.367 2.065 10.275 33 HB2 LEU 4 HB2 LEU 4 10.282 -0.518 10.212 34 HB3 LEU 4 HB1 LEU 4 11.359 -0.519 8.771 35 HG LEU 4 HG LEU 4 12.112 0.071 11.683 36 HD11 LEU 4 HD11 LEU 4 13.102 -2.104 9.734 37 HD12 LEU 4 HD12 LEU 4 11.891 -2.345 11.051 38 HD13 LEU 4 HD13 LEU 4 13.591 -1.897 11.459 39 HD21 LEU 4 HD21 LEU 4 14.473 0.399 10.856 40 HD22 LEU 4 HD22 LEU 4 13.342 1.684 10.281 41 HD23 LEU 4 HD23 LEU 4 13.861 0.369 9.159 42 H SER 5 HN SER 5 9.564 1.441 7.233 43 HA SER 5 HA SER 5 11.936 1.905 5.665 44 HB2 SER 5 HB2 SER 5 8.947 1.803 4.897 45 HB3 SER 5 HB1 SER 5 10.289 2.055 3.707 46 HG SER 5 HG SER 5 9.470 -0.148 4.082 47 H LYS 6 HN LYS 6 12.364 3.896 7.066 48 HA LYS 6 HA LYS 6 11.071 6.177 5.778 49 HB2 LYS 6 HB2 LYS 6 9.973 6.253 7.923 50 HB3 LYS 6 HB1 LYS 6 11.436 5.598 8.746 51 HG2 LYS 6 HG2 LYS 6 10.921 8.064 9.210 52 HG3 LYS 6 HG1 LYS 6 12.586 7.712 8.647 53 HD2 LYS 6 HD2 LYS 6 11.613 8.277 6.243 54 HD3 LYS 6 HD1 LYS 6 10.279 9.055 7.153 55 HE2 LYS 6 HE2 LYS 6 11.606 10.924 7.234 56 HE3 LYS 6 HE1 LYS 6 12.622 10.033 8.436 57 H PHE 7 HN PHE 7 13.551 5.106 8.098 58 HA PHE 7 HA PHE 7 15.266 7.185 7.849 59 HB2 PHE 7 HB2 PHE 7 15.886 4.218 8.111 60 HB3 PHE 7 HB1 PHE 7 16.975 5.559 8.629 61 HD1 PHE 7 HD1 PHE 7 14.300 3.389 9.422 62 HD2 PHE 7 HD2 PHE 7 16.141 7.072 10.449 63 HE1 PHE 7 HE1 PHE 7 13.180 3.342 11.585 64 HE2 PHE 7 HE2 PHE 7 15.012 7.020 12.618 65 HZ PHE 7 HZ PHE 7 13.543 5.146 13.143 66 H PHE 8 HN PHE 8 15.022 4.212 5.730 67 HA PHE 8 HA PHE 8 17.084 5.449 4.130 68 HB2 PHE 8 HB2 PHE 8 16.876 3.252 2.732 69 HB3 PHE 8 HB1 PHE 8 17.692 3.173 4.337 70 HD1 PHE 8 HD1 PHE 8 14.680 2.321 2.431 71 HD2 PHE 8 HD2 PHE 8 16.675 2.099 6.171 72 HE1 PHE 8 HE1 PHE 8 13.117 0.598 3.170 73 HE2 PHE 8 HE2 PHE 8 15.114 0.386 6.905 74 HZ PHE 8 HZ PHE 8 13.331 -0.379 5.408 75 H ARG 9 HN ARG 9 13.653 5.177 4.321 76 HA ARG 9 HA ARG 9 13.131 5.220 1.548 77 HB2 ARG 9 HB2 ARG 9 11.374 4.706 3.296 78 HB3 ARG 9 HB1 ARG 9 11.467 6.425 3.816 79 HG2 ARG 9 HG2 ARG 9 10.993 5.904 0.875 80 HG3 ARG 9 HG1 ARG 9 9.650 5.511 2.020 81 HD2 ARG 9 HD2 ARG 9 9.888 7.882 2.978 82 HD3 ARG 9 HD1 ARG 9 11.055 8.224 1.627 83 HE ARG 9 HE ARG 9 8.663 7.099 0.498 84 HH11 ARG 9 HH11 ARG 9 9.854 9.985 2.210 85 HH12 ARG 9 HH12 ARG 9 8.722 11.075 1.483 86 HH21 ARG 9 HH21 ARG 9 7.121 8.581 -0.495 87 HH22 ARG 9 HH22 ARG 9 7.142 10.263 -0.082 88 H ASN 10 HN ASN 10 13.778 7.688 4.068 89 HA ASN 10 HA ASN 10 13.188 9.885 2.463 90 HB2 ASN 10 HB2 ASN 10 15.210 9.559 4.759 91 HB3 ASN 10 HB1 ASN 10 14.828 11.146 3.991 92 HD21 ASN 10 HD21 ASN 10 14.249 9.579 6.762 93 H PHE 11 HN PHE 11 16.132 7.813 2.779 94 HA PHE 11 HA PHE 11 17.679 9.478 1.097 95 HB2 PHE 11 HB2 PHE 11 17.889 6.556 1.994 96 HB3 PHE 11 HB1 PHE 11 18.914 7.144 0.625 97 HD1 PHE 11 HD1 PHE 11 18.644 6.838 4.147 98 HD2 PHE 11 HD2 PHE 11 20.254 9.291 1.075 99 HE1 PHE 11 HE1 PHE 11 20.269 7.756 5.731 100 HE2 PHE 11 HE2 PHE 11 21.873 10.210 2.659 101 HZ PHE 11 HZ PHE 11 21.889 9.444 4.991 102 H ILE 12 HN ILE 12 15.822 6.381 0.526 103 HA ILE 12 HA ILE 12 14.549 7.208 -1.714 104 HB ILE 12 HB ILE 12 16.712 7.429 -2.871 105 HG12 ILE 12 HG12 ILE 12 15.343 4.844 -3.765 106 HG13 ILE 12 HG11 ILE 12 14.642 6.484 -4.021 107 HG21 ILE 12 HG21 ILE 12 18.383 5.741 -2.886 108 HG22 ILE 12 HG22 ILE 12 17.225 4.442 -2.412 109 HG23 ILE 12 HG23 ILE 12 17.770 5.654 -1.193 110 HD11 ILE 12 HD11 ILE 12 15.803 6.420 -5.997 111 HD12 ILE 12 HD12 ILE 12 16.926 5.133 -5.412 112 HD13 ILE 12 HD13 ILE 12 17.219 6.858 -4.969 113 H LEU 13 HN LEU 13 13.040 5.647 -2.244 114 HA LEU 13 HA LEU 13 13.582 2.989 -1.148 115 HB2 LEU 13 HB2 LEU 13 11.880 4.132 0.288 116 HB3 LEU 13 HB1 LEU 13 10.920 4.529 -1.179 117 HG LEU 13 HG LEU 13 10.603 2.094 -1.630 118 HD11 LEU 13 HD11 LEU 13 12.494 1.842 0.712 119 HD12 LEU 13 HD12 LEU 13 12.269 0.781 -0.729 120 HD13 LEU 13 HD13 LEU 13 11.119 0.674 0.657 121 HD21 LEU 13 HD21 LEU 13 9.739 2.873 1.225 122 HD22 LEU 13 HD22 LEU 13 8.939 1.684 0.127 123 HD23 LEU 13 HD23 LEU 13 8.937 3.441 -0.288 124 H GLN 14 HN GLN 14 13.613 1.483 -2.766 125 HA GLN 14 HA GLN 14 11.805 1.958 -5.004 126 HB2 GLN 14 HB2 GLN 14 14.787 1.220 -5.206 127 HB3 GLN 14 HB1 GLN 14 13.615 1.004 -6.557 128 HG2 GLN 14 HG2 GLN 14 13.196 3.422 -6.677 129 HG3 GLN 14 HG1 GLN 14 14.190 3.711 -5.195 130 HE21 GLN 14 HE21 GLN 14 14.576 4.701 -8.030 131 HE22 GLN 14 HE22 GLN 14 16.162 4.185 -8.491 132 H ARG 15 HN ARG 15 11.940 0.386 -2.441 133 HA ARG 15 HA ARG 15 12.482 -2.260 -3.376 134 HB2 ARG 15 HB2 ARG 15 11.229 -1.311 -0.741 135 HB3 ARG 15 HB1 ARG 15 11.657 -3.016 -1.118 136 HG2 ARG 15 HG2 ARG 15 13.689 -0.703 -1.070 137 HG3 ARG 15 HG1 ARG 15 13.348 -1.779 0.327 138 HD2 ARG 15 HD2 ARG 15 14.025 -3.782 -1.113 139 HD3 ARG 15 HD1 ARG 15 14.508 -2.611 -2.421 140 HE ARG 15 HE ARG 15 15.761 -1.799 0.036 141 HH11 ARG 15 HH11 ARG 15 15.764 -4.435 -2.361 142 HH12 ARG 15 HH12 ARG 15 17.431 -4.847 -2.133 143 HH21 ARG 15 HH21 ARG 15 18.027 -2.360 0.347 144 HH22 ARG 15 HH22 ARG 15 18.738 -3.648 -0.567 145 H LYS 16 HN LYS 16 10.866 -1.897 -5.238 146 HA LYS 16 HA LYS 16 8.144 -1.671 -4.638 147 HB2 LYS 16 HB2 LYS 16 9.087 -1.279 -6.938 148 HB3 LYS 16 HB1 LYS 16 9.509 -3.022 -7.037 149 HG2 LYS 16 HG2 LYS 16 7.457 -2.641 -8.287 150 HG3 LYS 16 HG1 LYS 16 7.069 -3.604 -6.822 151 HD2 LYS 16 HD2 LYS 16 6.152 -1.643 -5.684 152 HD3 LYS 16 HD1 LYS 16 6.749 -0.545 -6.976 153 HE2 LYS 16 HE2 LYS 16 4.326 -0.902 -7.285 154 HE3 LYS 16 HE1 LYS 16 5.200 -1.755 -8.625 155 HZ1 LYS 16 HZ1 LYS 16 4.897 -3.435 -6.356 156 HZ2 LYS 16 HZ2 LYS 16 4.365 -3.649 -7.955 157 HZ3 LYS 16 HZ3 LYS 16 3.394 -2.812 -6.842 158 H LYS 17 HN LYS 17 10.357 -4.479 -5.069 159 HA LYS 17 HA LYS 17 8.123 -6.227 -4.390 160 HB2 LYS 17 HB2 LYS 17 11.014 -6.839 -5.246 161 HB3 LYS 17 HB1 LYS 17 9.804 -8.096 -4.809 162 HG2 LYS 17 HG2 LYS 17 8.326 -7.332 -6.677 163 HG3 LYS 17 HG1 LYS 17 9.531 -6.073 -7.117 164 HD2 LYS 17 HD2 LYS 17 11.230 -7.857 -7.569 165 HD3 LYS 17 HD1 LYS 17 10.026 -9.116 -7.125 166 HE2 LYS 17 HE2 LYS 17 8.554 -8.393 -9.028 167 HE3 LYS 17 HE1 LYS 17 9.760 -7.112 -9.469 168 HZ1 LYS 17 HZ1 LYS 17 10.786 -8.626 -10.640 169 HZ2 LYS 17 HZ2 LYS 17 9.731 -9.851 -10.121 170 HZ3 LYS 17 HZ3 LYS 17 11.139 -9.510 -9.235 Start of MODEL 16 1 H1 GLU 1 HT1 GLU 1 3.366 -0.772 6.806 2 H2 GLU 1 HT2 GLU 1 2.558 0.076 5.577 3 H3 GLU 1 HT3 GLU 1 1.687 -0.943 6.619 4 HA GLU 1 HA GLU 1 2.424 1.770 6.930 5 HB2 GLU 1 HB2 GLU 1 0.631 -0.208 8.448 6 HB3 GLU 1 HB1 GLU 1 0.735 1.538 8.878 7 HG2 GLU 1 HG2 GLU 1 -0.122 2.201 6.648 8 HG3 GLU 1 HG1 GLU 1 -0.112 0.479 6.097 9 H MET 2 HN MET 2 4.871 0.986 7.389 10 HA MET 2 HA MET 2 5.052 0.947 10.312 11 HB2 MET 2 HB2 MET 2 6.809 -0.600 8.314 12 HB3 MET 2 HB1 MET 2 7.219 -0.374 10.050 13 HG2 MET 2 HG2 MET 2 4.994 -1.493 10.631 14 HG3 MET 2 HG1 MET 2 4.806 -1.878 8.891 15 HE1 MET 2 HE1 MET 2 7.229 -4.451 7.919 16 HE2 MET 2 HE2 MET 2 7.788 -2.745 7.840 17 HE3 MET 2 HE3 MET 2 6.064 -3.141 7.520 18 H ARG 3 HN ARG 3 6.747 2.275 11.158 19 HA ARG 3 HA ARG 3 7.535 4.307 9.266 20 HB2 ARG 3 HB2 ARG 3 6.891 4.967 11.631 21 HB3 ARG 3 HB1 ARG 3 8.313 4.035 12.228 22 HG2 ARG 3 HG2 ARG 3 9.878 5.523 11.100 23 HG3 ARG 3 HG1 ARG 3 8.556 6.347 10.204 24 HD2 ARG 3 HD2 ARG 3 7.669 7.298 12.353 25 HD3 ARG 3 HD1 ARG 3 8.965 6.420 13.282 26 HE ARG 3 HE ARG 3 10.307 7.917 11.286 27 HH11 ARG 3 HH11 ARG 3 8.106 8.483 14.028 28 HH12 ARG 3 HH12 ARG 3 8.730 10.053 14.407 29 HH21 ARG 3 HH21 ARG 3 11.158 10.052 11.799 30 HH22 ARG 3 HH22 ARG 3 10.496 10.961 13.116 31 H LEU 4 HN LEU 4 8.760 1.273 10.305 32 HA LEU 4 HA LEU 4 11.461 1.863 10.452 33 HB2 LEU 4 HB2 LEU 4 10.594 -0.415 11.016 34 HB3 LEU 4 HB1 LEU 4 10.171 -0.672 9.283 35 HG LEU 4 HG LEU 4 12.542 -0.466 8.629 36 HD11 LEU 4 HD11 LEU 4 13.397 1.118 10.261 37 HD12 LEU 4 HD12 LEU 4 14.333 -0.418 10.457 38 HD13 LEU 4 HD13 LEU 4 13.032 0.003 11.635 39 HD21 LEU 4 HD21 LEU 4 11.784 -2.726 9.101 40 HD22 LEU 4 HD22 LEU 4 11.992 -2.495 10.880 41 HD23 LEU 4 HD23 LEU 4 13.438 -2.549 9.801 42 H SER 5 HN SER 5 9.295 1.372 7.601 43 HA SER 5 HA SER 5 11.529 1.556 5.811 44 HB2 SER 5 HB2 SER 5 8.509 1.912 5.277 45 HB3 SER 5 HB1 SER 5 9.786 1.795 4.000 46 HG SER 5 HG SER 5 9.971 -0.226 5.789 47 H LYS 6 HN LYS 6 12.279 3.515 7.195 48 HA LYS 6 HA LYS 6 11.193 5.913 5.919 49 HB2 LYS 6 HB2 LYS 6 10.338 6.091 8.199 50 HB3 LYS 6 HB1 LYS 6 11.888 5.439 8.858 51 HG2 LYS 6 HG2 LYS 6 11.499 7.977 9.153 52 HG3 LYS 6 HG1 LYS 6 13.071 7.491 8.437 53 HD2 LYS 6 HD2 LYS 6 11.846 7.855 6.118 54 HD3 LYS 6 HD1 LYS 6 10.644 8.775 7.079 55 HE2 LYS 6 HE2 LYS 6 12.006 10.605 7.027 56 HE3 LYS 6 HE1 LYS 6 13.308 9.674 7.870 57 H PHE 7 HN PHE 7 13.770 4.503 7.951 58 HA PHE 7 HA PHE 7 15.683 6.363 7.542 59 HB2 PHE 7 HB2 PHE 7 15.928 3.337 7.638 60 HB3 PHE 7 HB1 PHE 7 17.269 4.489 7.998 61 HD1 PHE 7 HD1 PHE 7 14.461 2.693 9.176 62 HD2 PHE 7 HD2 PHE 7 16.944 6.050 9.937 63 HE1 PHE 7 HE1 PHE 7 13.678 2.747 11.485 64 HE2 PHE 7 HE2 PHE 7 16.157 6.093 12.254 65 HZ PHE 7 HZ PHE 7 14.527 4.435 12.979 66 H PHE 8 HN PHE 8 14.800 3.587 5.316 67 HA PHE 8 HA PHE 8 16.845 4.630 3.563 68 HB2 PHE 8 HB2 PHE 8 15.863 2.630 2.037 69 HB3 PHE 8 HB1 PHE 8 17.122 2.351 3.297 70 HD1 PHE 8 HD1 PHE 8 13.623 1.873 2.364 71 HD2 PHE 8 HD2 PHE 8 16.558 1.361 5.388 72 HE1 PHE 8 HE1 PHE 8 12.165 0.288 3.520 73 HE2 PHE 8 HE2 PHE 8 15.104 -0.216 6.537 74 HZ PHE 8 HZ PHE 8 12.904 -0.764 5.610 75 H ARG 9 HN ARG 9 13.465 4.931 4.168 76 HA ARG 9 HA ARG 9 12.689 5.399 1.480 77 HB2 ARG 9 HB2 ARG 9 11.133 4.896 3.515 78 HB3 ARG 9 HB1 ARG 9 11.389 6.618 3.962 79 HG2 ARG 9 HG2 ARG 9 10.577 6.058 1.102 80 HG3 ARG 9 HG1 ARG 9 9.341 5.761 2.387 81 HD2 ARG 9 HD2 ARG 9 9.822 8.133 3.265 82 HD3 ARG 9 HD1 ARG 9 10.830 8.386 1.776 83 HE ARG 9 HE ARG 9 8.255 7.365 0.986 84 HH11 ARG 9 HH11 ARG 9 9.830 10.226 2.403 85 HH12 ARG 9 HH12 ARG 9 8.679 11.361 1.784 86 HH21 ARG 9 HH21 ARG 9 6.685 8.908 0.142 87 HH22 ARG 9 HH22 ARG 9 6.858 10.598 0.476 88 H ASN 10 HN ASN 10 14.236 7.198 4.105 89 HA ASN 10 HA ASN 10 13.805 9.781 3.172 90 HB2 ASN 10 HB2 ASN 10 16.284 8.556 4.544 91 HB3 ASN 10 HB1 ASN 10 16.078 10.319 4.257 92 HD21 ASN 10 HD21 ASN 10 12.956 9.602 4.849 93 H PHE 11 HN PHE 11 16.058 7.154 2.236 94 HA PHE 11 HA PHE 11 17.405 8.820 0.333 95 HB2 PHE 11 HB2 PHE 11 17.404 5.802 0.955 96 HB3 PHE 11 HB1 PHE 11 18.158 6.431 -0.567 97 HD1 PHE 11 HD1 PHE 11 18.672 5.704 2.856 98 HD2 PHE 11 HD2 PHE 11 19.850 8.356 -0.249 99 HE1 PHE 11 HE1 PHE 11 20.729 6.225 4.079 100 HE2 PHE 11 HE2 PHE 11 21.901 8.874 0.974 101 HZ PHE 11 HZ PHE 11 22.349 7.811 3.140 102 H ILE 12 HN ILE 12 15.668 5.671 -0.269 103 HA ILE 12 HA ILE 12 13.719 6.961 -1.873 104 HB ILE 12 HB ILE 12 14.178 5.580 -3.921 105 HG12 ILE 12 HG12 ILE 12 17.017 5.244 -2.802 106 HG13 ILE 12 HG11 ILE 12 15.752 3.979 -2.615 107 HG21 ILE 12 HG21 ILE 12 15.648 7.188 -4.919 108 HG22 ILE 12 HG22 ILE 12 16.516 7.499 -3.369 109 HG23 ILE 12 HG23 ILE 12 14.821 8.080 -3.588 110 HD11 ILE 12 HD11 ILE 12 16.861 3.316 -4.603 111 HD12 ILE 12 HD12 ILE 12 17.061 5.015 -5.181 112 HD13 ILE 12 HD13 ILE 12 15.436 4.230 -5.228 113 H LEU 13 HN LEU 13 12.032 5.413 -2.440 114 HA LEU 13 HA LEU 13 12.416 2.831 -1.119 115 HB2 LEU 13 HB2 LEU 13 10.916 4.302 0.281 116 HB3 LEU 13 HB1 LEU 13 9.866 4.555 -1.154 117 HG LEU 13 HG LEU 13 9.413 2.094 -1.239 118 HD11 LEU 13 HD11 LEU 13 10.002 1.023 1.229 119 HD12 LEU 13 HD12 LEU 13 11.444 2.079 0.987 120 HD13 LEU 13 HD13 LEU 13 11.038 0.814 -0.233 121 HD21 LEU 13 HD21 LEU 13 8.625 2.710 1.584 122 HD22 LEU 13 HD22 LEU 13 7.607 2.357 0.136 123 HD23 LEU 13 HD23 LEU 13 8.256 4.020 0.401 124 H GLN 14 HN GLN 14 12.355 1.272 -2.693 125 HA GLN 14 HA GLN 14 10.447 1.752 -4.871 126 HB2 GLN 14 HB2 GLN 14 13.276 0.571 -5.061 127 HB3 GLN 14 HB1 GLN 14 12.049 0.439 -6.373 128 HG2 GLN 14 HG2 GLN 14 12.001 2.880 -6.677 129 HG3 GLN 14 HG1 GLN 14 13.066 3.122 -5.234 130 HE21 GLN 14 HE21 GLN 14 13.555 3.854 -8.112 131 HE22 GLN 14 HE22 GLN 14 15.021 3.052 -8.560 132 H ARG 15 HN ARG 15 11.432 -0.026 -2.210 133 HA ARG 15 HA ARG 15 10.908 -1.997 -1.400 134 HB2 ARG 15 HB2 ARG 15 8.840 -2.190 -3.667 135 HB3 ARG 15 HB1 ARG 15 8.909 -3.262 -2.227 136 HG2 ARG 15 HG2 ARG 15 8.479 -0.214 -2.112 137 HG3 ARG 15 HG1 ARG 15 7.162 -1.438 -2.081 138 HD2 ARG 15 HD2 ARG 15 8.218 -2.442 0.026 139 HD3 ARG 15 HD1 ARG 15 9.400 -1.059 0.025 140 HE ARG 15 HE ARG 15 6.711 -0.023 -0.182 141 HH11 ARG 15 HH11 ARG 15 8.953 -1.662 2.046 142 HH12 ARG 15 HH12 ARG 15 8.267 -0.985 3.485 143 HH21 ARG 15 HH21 ARG 15 5.763 0.887 1.777 144 HH22 ARG 15 HH22 ARG 15 6.415 0.480 3.328 145 H LYS 16 HN LYS 16 12.781 -1.565 -3.842 146 HA LYS 16 HA LYS 16 14.110 -2.819 -5.098 147 HB2 LYS 16 HB2 LYS 16 13.151 -5.220 -3.434 148 HB3 LYS 16 HB1 LYS 16 14.607 -5.177 -4.486 149 HG2 LYS 16 HG2 LYS 16 14.166 -3.436 -1.980 150 HG3 LYS 16 HG1 LYS 16 15.151 -4.937 -2.049 151 HD2 LYS 16 HD2 LYS 16 16.640 -3.859 -3.770 152 HD3 LYS 16 HD1 LYS 16 15.672 -2.349 -3.644 153 HE2 LYS 16 HE2 LYS 16 16.289 -2.151 -1.213 154 HE3 LYS 16 HE1 LYS 16 17.272 -3.669 -1.347 155 HZ1 LYS 16 HZ1 LYS 16 17.961 -1.868 -3.411 156 HZ2 LYS 16 HZ2 LYS 16 18.916 -2.502 -2.157 157 HZ3 LYS 16 HZ3 LYS 16 18.035 -1.071 -1.914 158 H LYS 17 HN LYS 17 11.400 -2.285 -5.988 159 HA LYS 17 HA LYS 17 10.006 -2.894 -7.595 160 HB2 LYS 17 HB2 LYS 17 12.385 -4.661 -8.357 161 HB3 LYS 17 HB1 LYS 17 10.830 -4.793 -9.248 162 HG2 LYS 17 HG2 LYS 17 10.928 -2.429 -9.903 163 HG3 LYS 17 HG1 LYS 17 12.382 -2.161 -8.880 164 HD2 LYS 17 HD2 LYS 17 13.127 -2.370 -11.177 165 HD3 LYS 17 HD1 LYS 17 13.626 -3.862 -10.307 166 HE2 LYS 17 HE2 LYS 17 11.712 -5.118 -11.298 167 HE3 LYS 17 HE1 LYS 17 11.127 -3.610 -12.117 168 HZ1 LYS 17 HZ1 LYS 17 13.888 -4.158 -12.634 169 HZ2 LYS 17 HZ2 LYS 17 12.602 -3.874 -13.704 170 HZ3 LYS 17 HZ3 LYS 17 12.879 -5.439 -13.106 Start of MODEL 17 1 H1 GLU 1 HT1 GLU 1 1.791 0.316 6.089 2 H2 GLU 1 HT2 GLU 1 3.263 -0.441 5.712 3 H3 GLU 1 HT3 GLU 1 3.243 0.923 6.726 4 HA GLU 1 HA GLU 1 1.567 -0.720 7.998 5 HB2 GLU 1 HB2 GLU 1 3.833 -2.338 6.708 6 HB3 GLU 1 HB1 GLU 1 2.954 -2.902 8.175 7 HG2 GLU 1 HG2 GLU 1 0.809 -2.971 6.944 8 HG3 GLU 1 HG1 GLU 1 1.583 -2.245 5.481 9 H MET 2 HN MET 2 5.092 -0.138 7.401 10 HA MET 2 HA MET 2 5.275 0.439 10.271 11 HB2 MET 2 HB2 MET 2 7.354 -0.970 8.494 12 HB3 MET 2 HB1 MET 2 7.707 -0.327 10.136 13 HG2 MET 2 HG2 MET 2 5.845 -1.831 11.031 14 HG3 MET 2 HG1 MET 2 5.738 -2.567 9.402 15 HE1 MET 2 HE1 MET 2 8.719 -4.604 8.765 16 HE2 MET 2 HE2 MET 2 8.815 -2.861 8.343 17 HE3 MET 2 HE3 MET 2 7.248 -3.732 8.212 18 H ARG 3 HN ARG 3 6.404 2.351 10.766 19 HA ARG 3 HA ARG 3 6.874 4.006 8.427 20 HB2 ARG 3 HB2 ARG 3 5.697 4.911 10.563 21 HB3 ARG 3 HB1 ARG 3 7.312 4.805 11.354 22 HG2 ARG 3 HG2 ARG 3 8.274 6.412 9.769 23 HG3 ARG 3 HG1 ARG 3 6.784 6.395 8.767 24 HD2 ARG 3 HD2 ARG 3 6.769 8.447 10.131 25 HD3 ARG 3 HD1 ARG 3 5.511 7.329 10.825 26 HE ARG 3 HE ARG 3 8.039 6.854 12.139 27 HH11 ARG 3 HH11 ARG 3 5.441 9.265 11.792 28 HH12 ARG 3 HH12 ARG 3 5.640 9.937 13.376 29 HH21 ARG 3 HH21 ARG 3 8.312 7.768 14.295 30 HH22 ARG 3 HH22 ARG 3 7.302 9.071 14.822 31 H LEU 4 HN LEU 4 8.625 1.770 10.288 32 HA LEU 4 HA LEU 4 11.041 3.080 10.621 33 HB2 LEU 4 HB2 LEU 4 10.143 0.244 10.532 34 HB3 LEU 4 HB1 LEU 4 11.813 0.466 9.899 35 HG LEU 4 HG LEU 4 11.669 -0.045 12.369 36 HD11 LEU 4 HD11 LEU 4 13.113 2.311 11.146 37 HD12 LEU 4 HD12 LEU 4 13.759 0.836 11.960 38 HD13 LEU 4 HD13 LEU 4 13.125 2.207 12.948 39 HD21 LEU 4 HD21 LEU 4 9.558 1.475 12.683 40 HD22 LEU 4 HD22 LEU 4 10.727 2.847 12.785 41 HD23 LEU 4 HD23 LEU 4 10.816 1.494 13.976 42 H SER 5 HN SER 5 9.460 1.795 7.694 43 HA SER 5 HA SER 5 11.892 2.054 6.172 44 HB2 SER 5 HB2 SER 5 8.948 1.697 5.311 45 HB3 SER 5 HB1 SER 5 10.334 1.784 4.151 46 HG SER 5 HG SER 5 9.852 -0.333 4.620 47 H LYS 6 HN LYS 6 12.141 4.279 7.247 48 HA LYS 6 HA LYS 6 10.874 6.253 5.503 49 HB2 LYS 6 HB2 LYS 6 9.632 6.632 7.540 50 HB3 LYS 6 HB1 LYS 6 11.058 6.193 8.548 51 HG2 LYS 6 HG2 LYS 6 10.437 8.670 8.562 52 HG3 LYS 6 HG1 LYS 6 12.143 8.310 8.141 53 HD2 LYS 6 HD2 LYS 6 11.305 8.426 5.643 54 HD3 LYS 6 HD1 LYS 6 9.862 9.242 6.324 55 HE2 LYS 6 HE2 LYS 6 11.068 11.188 6.153 56 HE3 LYS 6 HE1 LYS 6 12.025 10.594 7.568 57 H PHE 7 HN PHE 7 13.232 5.660 8.106 58 HA PHE 7 HA PHE 7 14.918 7.717 7.603 59 HB2 PHE 7 HB2 PHE 7 15.564 4.852 8.392 60 HB3 PHE 7 HB1 PHE 7 16.614 6.281 8.724 61 HD1 PHE 7 HD1 PHE 7 13.983 4.195 9.791 62 HD2 PHE 7 HD2 PHE 7 15.625 8.091 10.182 63 HE1 PHE 7 HE1 PHE 7 12.764 4.496 11.879 64 HE2 PHE 7 HE2 PHE 7 14.402 8.384 12.281 65 HZ PHE 7 HZ PHE 7 12.986 6.574 13.088 66 H PHE 8 HN PHE 8 14.828 4.438 5.979 67 HA PHE 8 HA PHE 8 16.995 5.435 4.338 68 HB2 PHE 8 HB2 PHE 8 16.402 2.867 3.354 69 HB3 PHE 8 HB1 PHE 8 17.760 3.298 4.457 70 HD1 PHE 8 HD1 PHE 8 14.644 1.553 4.088 71 HD2 PHE 8 HD2 PHE 8 17.390 3.150 6.903 72 HE1 PHE 8 HE1 PHE 8 13.689 0.127 5.829 73 HE2 PHE 8 HE2 PHE 8 16.437 1.729 8.637 74 HZ PHE 8 HZ PHE 8 14.586 0.212 8.104 75 H ARG 9 HN ARG 9 13.531 5.012 4.322 76 HA ARG 9 HA ARG 9 13.246 4.663 1.553 77 HB2 ARG 9 HB2 ARG 9 11.358 4.360 3.208 78 HB3 ARG 9 HB1 ARG 9 11.370 6.138 3.475 79 HG2 ARG 9 HG2 ARG 9 10.066 6.470 1.678 80 HG3 ARG 9 HG1 ARG 9 11.247 5.623 0.608 81 HD2 ARG 9 HD2 ARG 9 10.191 3.460 1.007 82 HD3 ARG 9 HD1 ARG 9 9.184 4.128 2.364 83 HE ARG 9 HE ARG 9 7.731 5.121 0.759 84 HH11 ARG 9 HH11 ARG 9 10.680 3.827 -0.774 85 HH12 ARG 9 HH12 ARG 9 10.086 3.976 -2.394 86 HH21 ARG 9 HH21 ARG 9 6.931 5.322 -1.442 87 HH22 ARG 9 HH22 ARG 9 7.920 4.840 -2.778 88 H ASN 10 HN ASN 10 13.606 7.511 3.715 89 HA ASN 10 HA ASN 10 13.108 9.424 1.746 90 HB2 ASN 10 HB2 ASN 10 14.906 9.528 4.241 91 HB3 ASN 10 HB1 ASN 10 14.547 10.965 3.212 92 HD21 ASN 10 HD21 ASN 10 13.824 10.038 6.135 93 H PHE 11 HN PHE 11 16.074 7.567 2.670 94 HA PHE 11 HA PHE 11 17.746 9.056 0.952 95 HB2 PHE 11 HB2 PHE 11 17.945 6.295 2.269 96 HB3 PHE 11 HB1 PHE 11 19.096 6.729 0.941 97 HD1 PHE 11 HD1 PHE 11 18.603 6.762 4.403 98 HD2 PHE 11 HD2 PHE 11 20.178 9.119 1.236 99 HE1 PHE 11 HE1 PHE 11 20.025 7.958 5.997 100 HE2 PHE 11 HE2 PHE 11 21.595 10.311 2.832 101 HZ PHE 11 HZ PHE 11 21.525 9.735 5.216 102 H ILE 12 HN ILE 12 16.082 5.820 0.601 103 HA ILE 12 HA ILE 12 14.972 6.215 -1.791 104 HB ILE 12 HB ILE 12 17.015 6.646 -2.979 105 HG12 ILE 12 HG12 ILE 12 17.271 4.573 -4.424 106 HG13 ILE 12 HG11 ILE 12 16.160 3.719 -3.305 107 HG21 ILE 12 HG21 ILE 12 18.942 6.032 -1.916 108 HG22 ILE 12 HG22 ILE 12 18.701 4.394 -2.631 109 HG23 ILE 12 HG23 ILE 12 18.109 4.746 -0.965 110 HD11 ILE 12 HD11 ILE 12 15.012 6.317 -4.149 111 HD12 ILE 12 HD12 ILE 12 14.323 4.656 -4.295 112 HD13 ILE 12 HD13 ILE 12 15.430 5.290 -5.570 113 H LEU 13 HN LEU 13 13.632 4.484 -2.060 114 HA LEU 13 HA LEU 13 14.625 1.906 -1.207 115 HB2 LEU 13 HB2 LEU 13 12.412 3.414 0.138 116 HB3 LEU 13 HB1 LEU 13 11.957 1.757 -0.393 117 HG LEU 13 HG LEU 13 14.384 2.455 1.354 118 HD11 LEU 13 HD11 LEU 13 11.540 2.084 2.029 119 HD12 LEU 13 HD12 LEU 13 12.922 2.575 3.080 120 HD13 LEU 13 HD13 LEU 13 12.561 0.826 2.823 121 HD21 LEU 13 HD21 LEU 13 13.463 -0.070 -0.003 122 HD22 LEU 13 HD22 LEU 13 13.923 -0.246 1.734 123 HD23 LEU 13 HD23 LEU 13 15.107 0.430 0.551 124 H GLN 14 HN GLN 14 13.888 0.269 -2.533 125 HA GLN 14 HA GLN 14 11.712 0.954 -4.339 126 HB2 GLN 14 HB2 GLN 14 14.465 -0.139 -5.183 127 HB3 GLN 14 HB1 GLN 14 12.998 -0.221 -6.225 128 HG2 GLN 14 HG2 GLN 14 12.824 2.282 -6.192 129 HG3 GLN 14 HG1 GLN 14 14.311 2.365 -5.166 130 HE21 GLN 14 HE21 GLN 14 15.881 3.174 -6.521 131 HE22 GLN 14 HE22 GLN 14 16.311 2.503 -8.058 132 H ARG 15 HN ARG 15 11.053 -0.365 -2.277 133 HA ARG 15 HA ARG 15 11.894 -3.014 -2.129 134 HB2 ARG 15 HB2 ARG 15 9.270 -1.698 -1.233 135 HB3 ARG 15 HB1 ARG 15 9.684 -3.410 -0.873 136 HG2 ARG 15 HG2 ARG 15 11.421 -1.012 -0.031 137 HG3 ARG 15 HG1 ARG 15 10.157 -1.751 1.010 138 HD2 ARG 15 HD2 ARG 15 12.577 -3.304 -0.151 139 HD3 ARG 15 HD1 ARG 15 12.487 -2.616 1.530 140 HE ARG 15 HE ARG 15 10.149 -4.188 1.183 141 HH11 ARG 15 HH11 ARG 15 13.688 -4.575 1.127 142 HH12 ARG 15 HH12 ARG 15 13.674 -6.213 1.687 143 HH21 ARG 15 HH21 ARG 15 10.127 -6.417 1.945 144 HH22 ARG 15 HH22 ARG 15 11.613 -7.278 2.159 145 H LYS 16 HN LYS 16 9.242 -1.359 -3.896 146 HA LYS 16 HA LYS 16 8.617 -3.937 -5.139 147 HB2 LYS 16 HB2 LYS 16 7.084 -1.297 -4.879 148 HB3 LYS 16 HB1 LYS 16 6.670 -2.473 -6.174 149 HG2 LYS 16 HG2 LYS 16 6.728 -3.166 -3.175 150 HG3 LYS 16 HG1 LYS 16 5.255 -2.639 -4.057 151 HD2 LYS 16 HD2 LYS 16 6.951 -5.093 -4.840 152 HD3 LYS 16 HD1 LYS 16 5.515 -5.164 -3.763 153 HE2 LYS 16 HE2 LYS 16 4.105 -4.183 -5.644 154 HE3 LYS 16 HE1 LYS 16 5.560 -4.260 -6.722 155 HZ1 LYS 16 HZ1 LYS 16 3.871 -6.389 -5.677 156 HZ2 LYS 16 HZ2 LYS 16 5.533 -6.722 -5.777 157 HZ3 LYS 16 HZ3 LYS 16 4.678 -6.242 -7.163 158 H LYS 17 HN LYS 17 10.575 -3.926 -6.453 159 HA LYS 17 HA LYS 17 10.658 -1.702 -8.349 160 HB2 LYS 17 HB2 LYS 17 12.803 -2.328 -7.118 161 HB3 LYS 17 HB1 LYS 17 12.695 -3.956 -7.873 162 HG2 LYS 17 HG2 LYS 17 12.855 -2.941 -10.137 163 HG3 LYS 17 HG1 LYS 17 12.905 -1.298 -9.410 164 HD2 LYS 17 HD2 LYS 17 15.031 -1.879 -8.229 165 HD3 LYS 17 HD1 LYS 17 14.976 -3.532 -8.933 166 HE2 LYS 17 HE2 LYS 17 16.538 -2.110 -10.237 167 HE3 LYS 17 HE1 LYS 17 15.093 -2.502 -11.259 168 HZ1 LYS 17 HZ1 LYS 17 16.062 -0.060 -10.882 169 HZ2 LYS 17 HZ2 LYS 17 14.901 -0.091 -9.639 170 HZ3 LYS 17 HZ3 LYS 17 14.438 -0.392 -11.249 Start of MODEL 18 1 H1 GLU 1 HT1 GLU 1 3.984 0.032 4.753 2 H2 GLU 1 HT2 GLU 1 3.806 1.283 5.889 3 H3 GLU 1 HT3 GLU 1 2.483 0.809 4.934 4 HA GLU 1 HA GLU 1 1.894 -0.378 6.679 5 HB2 GLU 1 HB2 GLU 1 2.694 -2.067 4.962 6 HB3 GLU 1 HB1 GLU 1 4.289 -2.091 5.793 7 HG2 GLU 1 HG2 GLU 1 3.213 -2.966 7.885 8 HG3 GLU 1 HG1 GLU 1 1.595 -2.916 7.077 9 H MET 2 HN MET 2 5.481 0.067 6.692 10 HA MET 2 HA MET 2 5.251 0.263 9.609 11 HB2 MET 2 HB2 MET 2 7.519 -1.045 7.992 12 HB3 MET 2 HB1 MET 2 7.635 -0.638 9.739 13 HG2 MET 2 HG2 MET 2 5.591 -2.122 10.133 14 HG3 MET 2 HG1 MET 2 5.714 -2.641 8.422 15 HE1 MET 2 HE1 MET 2 7.344 -3.764 7.333 16 HE2 MET 2 HE2 MET 2 8.696 -4.751 7.988 17 HE3 MET 2 HE3 MET 2 8.888 -2.973 7.807 18 H ARG 3 HN ARG 3 6.488 1.972 10.529 19 HA ARG 3 HA ARG 3 7.217 3.951 8.561 20 HB2 ARG 3 HB2 ARG 3 6.081 4.678 10.712 21 HB3 ARG 3 HB1 ARG 3 7.525 4.088 11.618 22 HG2 ARG 3 HG2 ARG 3 8.974 5.738 10.565 23 HG3 ARG 3 HG1 ARG 3 7.696 6.216 9.394 24 HD2 ARG 3 HD2 ARG 3 6.317 7.171 11.264 25 HD3 ARG 3 HD1 ARG 3 7.572 6.638 12.469 26 HE ARG 3 HE ARG 3 8.951 8.172 10.528 27 HH11 ARG 3 HH11 ARG 3 6.265 8.565 12.833 28 HH12 ARG 3 HH12 ARG 3 6.546 10.252 13.110 29 HH21 ARG 3 HH21 ARG 3 9.333 10.465 10.903 30 HH22 ARG 3 HH22 ARG 3 8.320 11.350 11.993 31 H LEU 4 HN LEU 4 8.757 1.316 10.158 32 HA LEU 4 HA LEU 4 11.259 2.435 10.583 33 HB2 LEU 4 HB2 LEU 4 10.724 0.117 11.361 34 HB3 LEU 4 HB1 LEU 4 10.623 -0.424 9.644 35 HG LEU 4 HG LEU 4 12.991 0.144 9.274 36 HD11 LEU 4 HD11 LEU 4 13.322 2.058 10.718 37 HD12 LEU 4 HD12 LEU 4 14.444 0.765 11.298 38 HD13 LEU 4 HD13 LEU 4 12.917 1.107 12.198 39 HD21 LEU 4 HD21 LEU 4 12.357 -2.140 10.156 40 HD22 LEU 4 HD22 LEU 4 12.707 -1.559 11.828 41 HD23 LEU 4 HD23 LEU 4 14.030 -1.635 10.603 42 H SER 5 HN SER 5 9.682 1.181 7.583 43 HA SER 5 HA SER 5 12.093 1.571 6.088 44 HB2 SER 5 HB2 SER 5 9.171 1.238 5.154 45 HB3 SER 5 HB1 SER 5 10.605 1.275 4.051 46 HG SER 5 HG SER 5 9.981 -0.826 4.567 47 H LYS 6 HN LYS 6 12.133 3.813 7.357 48 HA LYS 6 HA LYS 6 10.894 5.774 5.550 49 HB2 LYS 6 HB2 LYS 6 9.798 6.010 7.772 50 HB3 LYS 6 HB1 LYS 6 11.422 5.969 8.569 51 HG2 LYS 6 HG2 LYS 6 11.218 8.059 6.450 52 HG3 LYS 6 HG1 LYS 6 10.002 8.282 7.748 53 HD2 LYS 6 HD2 LYS 6 11.682 8.533 9.431 54 HD3 LYS 6 HD1 LYS 6 12.962 7.810 8.399 55 HE2 LYS 6 HE2 LYS 6 11.567 10.387 7.485 56 HE3 LYS 6 HE1 LYS 6 12.857 10.464 8.747 57 H PHE 7 HN PHE 7 13.448 5.038 7.936 58 HA PHE 7 HA PHE 7 15.005 7.216 7.480 59 HB2 PHE 7 HB2 PHE 7 15.796 4.336 8.046 60 HB3 PHE 7 HB1 PHE 7 16.843 5.774 8.356 61 HD1 PHE 7 HD1 PHE 7 14.257 3.636 9.496 62 HD2 PHE 7 HD2 PHE 7 16.034 7.456 10.011 63 HE1 PHE 7 HE1 PHE 7 13.194 3.835 11.680 64 HE2 PHE 7 HE2 PHE 7 14.961 7.646 12.204 65 HZ PHE 7 HZ PHE 7 13.552 5.822 12.990 66 H PHE 8 HN PHE 8 14.878 4.091 5.576 67 HA PHE 8 HA PHE 8 16.943 5.239 3.936 68 HB2 PHE 8 HB2 PHE 8 16.181 3.012 2.496 69 HB3 PHE 8 HB1 PHE 8 17.498 3.035 3.722 70 HD1 PHE 8 HD1 PHE 8 14.262 1.753 2.832 71 HD2 PHE 8 HD2 PHE 8 16.962 2.386 6.047 72 HE1 PHE 8 HE1 PHE 8 13.088 0.067 4.157 73 HE2 PHE 8 HE2 PHE 8 15.788 0.710 7.366 74 HZ PHE 8 HZ PHE 8 13.848 -0.458 6.426 75 H ARG 9 HN ARG 9 13.469 5.053 4.110 76 HA ARG 9 HA ARG 9 12.968 5.370 1.359 77 HB2 ARG 9 HB2 ARG 9 11.241 4.816 3.208 78 HB3 ARG 9 HB1 ARG 9 11.306 6.562 3.633 79 HG2 ARG 9 HG2 ARG 9 9.940 7.114 1.936 80 HG3 ARG 9 HG1 ARG 9 10.959 6.233 0.736 81 HD2 ARG 9 HD2 ARG 9 8.875 5.065 0.612 82 HD3 ARG 9 HD1 ARG 9 9.821 4.058 1.793 83 HE ARG 9 HE ARG 9 8.416 4.831 3.548 84 HH11 ARG 9 HH11 ARG 9 7.823 6.606 0.510 85 HH12 ARG 9 HH12 ARG 9 6.359 7.352 1.055 86 HH21 ARG 9 HH21 ARG 9 6.429 5.849 4.283 87 HH22 ARG 9 HH22 ARG 9 5.554 6.915 3.237 88 H ASN 10 HN ASN 10 13.695 7.538 4.097 89 HA ASN 10 HA ASN 10 13.222 9.953 2.805 90 HB2 ASN 10 HB2 ASN 10 15.230 9.183 5.012 91 HB3 ASN 10 HB1 ASN 10 14.956 10.882 4.480 92 HD21 ASN 10 HD21 ASN 10 14.469 9.482 7.156 93 H PHE 11 HN PHE 11 16.051 7.707 2.843 94 HA PHE 11 HA PHE 11 17.682 9.504 1.360 95 HB2 PHE 11 HB2 PHE 11 17.817 6.503 2.008 96 HB3 PHE 11 HB1 PHE 11 18.899 7.202 0.736 97 HD1 PHE 11 HD1 PHE 11 18.610 6.450 4.147 98 HD2 PHE 11 HD2 PHE 11 20.148 9.388 1.492 99 HE1 PHE 11 HE1 PHE 11 20.193 7.177 5.866 100 HE2 PHE 11 HE2 PHE 11 21.728 10.112 3.212 101 HZ PHE 11 HZ PHE 11 21.757 9.009 5.403 102 H ILE 12 HN ILE 12 16.020 6.384 0.505 103 HA ILE 12 HA ILE 12 14.599 7.248 -1.636 104 HB ILE 12 HB ILE 12 16.027 5.935 -3.451 105 HG12 ILE 12 HG12 ILE 12 18.508 7.167 -2.881 106 HG13 ILE 12 HG11 ILE 12 18.024 6.441 -1.312 107 HG21 ILE 12 HG21 ILE 12 17.147 8.660 -3.368 108 HG22 ILE 12 HG22 ILE 12 15.400 8.660 -2.921 109 HG23 ILE 12 HG23 ILE 12 15.929 7.939 -4.486 110 HD11 ILE 12 HD11 ILE 12 18.733 5.090 -3.918 111 HD12 ILE 12 HD12 ILE 12 17.386 4.348 -2.972 112 HD13 ILE 12 HD13 ILE 12 19.012 4.556 -2.216 113 H LEU 13 HN LEU 13 13.231 5.506 -2.137 114 HA LEU 13 HA LEU 13 14.288 2.877 -1.480 115 HB2 LEU 13 HB2 LEU 13 12.896 3.615 0.492 116 HB3 LEU 13 HB1 LEU 13 11.530 3.947 -0.629 117 HG LEU 13 HG LEU 13 11.489 1.542 -1.291 118 HD11 LEU 13 HD11 LEU 13 13.494 0.454 -1.002 119 HD12 LEU 13 HD12 LEU 13 12.828 0.086 0.634 120 HD13 LEU 13 HD13 LEU 13 13.970 1.466 0.414 121 HD21 LEU 13 HD21 LEU 13 9.944 2.237 0.453 122 HD22 LEU 13 HD22 LEU 13 11.231 2.154 1.716 123 HD23 LEU 13 HD23 LEU 13 10.631 0.640 0.938 124 H GLN 14 HN GLN 14 13.957 1.505 -3.184 125 HA GLN 14 HA GLN 14 11.672 2.095 -4.896 126 HB2 GLN 14 HB2 GLN 14 14.564 1.608 -5.834 127 HB3 GLN 14 HB1 GLN 14 13.128 1.486 -6.915 128 HG2 GLN 14 HG2 GLN 14 12.596 3.864 -6.603 129 HG3 GLN 14 HG1 GLN 14 13.882 4.031 -5.343 130 HE21 GLN 14 HE21 GLN 14 13.614 5.435 -7.988 131 HE22 GLN 14 HE22 GLN 14 15.068 5.086 -8.861 132 H ARG 15 HN ARG 15 12.168 0.295 -2.677 133 HA ARG 15 HA ARG 15 12.830 -2.202 -3.896 134 HB2 ARG 15 HB2 ARG 15 11.926 -1.374 -1.104 135 HB3 ARG 15 HB1 ARG 15 11.889 -3.105 -1.588 136 HG2 ARG 15 HG2 ARG 15 14.419 -1.394 -1.889 137 HG3 ARG 15 HG1 ARG 15 14.008 -2.221 -0.348 138 HD2 ARG 15 HD2 ARG 15 14.230 -3.705 -3.058 139 HD3 ARG 15 HD1 ARG 15 15.594 -3.552 -1.863 140 HE ARG 15 HE ARG 15 13.337 -4.525 -0.423 141 HH11 ARG 15 HH11 ARG 15 15.447 -5.470 -3.133 142 HH12 ARG 15 HH12 ARG 15 15.300 -7.174 -2.857 143 HH21 ARG 15 HH21 ARG 15 13.139 -6.842 -0.044 144 HH22 ARG 15 HH22 ARG 15 13.966 -7.966 -1.071 145 H LYS 16 HN LYS 16 11.090 -1.841 -5.631 146 HA LYS 16 HA LYS 16 8.406 -2.217 -4.600 147 HB2 LYS 16 HB2 LYS 16 9.388 -2.154 -7.515 148 HB3 LYS 16 HB1 LYS 16 7.675 -2.090 -6.970 149 HG2 LYS 16 HG2 LYS 16 9.822 0.040 -6.377 150 HG3 LYS 16 HG1 LYS 16 8.563 0.151 -7.653 151 HD2 LYS 16 HD2 LYS 16 6.781 0.010 -5.876 152 HD3 LYS 16 HD1 LYS 16 8.062 -0.042 -4.616 153 HE2 LYS 16 HE2 LYS 16 8.874 2.225 -5.341 154 HE3 LYS 16 HE1 LYS 16 7.575 2.278 -6.604 155 HZ1 LYS 16 HZ1 LYS 16 6.172 2.953 -5.089 156 HZ2 LYS 16 HZ2 LYS 16 7.418 3.005 -3.936 157 HZ3 LYS 16 HZ3 LYS 16 6.467 1.607 -4.098 158 H LYS 17 HN LYS 17 8.726 -4.314 -3.590 159 HA LYS 17 HA LYS 17 9.105 -6.431 -5.597 160 HB2 LYS 17 HB2 LYS 17 9.779 -6.264 -2.622 161 HB3 LYS 17 HB1 LYS 17 9.430 -7.862 -3.371 162 HG2 LYS 17 HG2 LYS 17 11.475 -5.986 -4.651 163 HG3 LYS 17 HG1 LYS 17 11.927 -6.973 -3.219 164 HD2 LYS 17 HD2 LYS 17 11.200 -9.050 -4.446 165 HD3 LYS 17 HD1 LYS 17 10.805 -8.049 -5.884 166 HE2 LYS 17 HE2 LYS 17 13.621 -8.138 -4.612 167 HE3 LYS 17 HE1 LYS 17 13.094 -9.211 -5.975 168 HZ1 LYS 17 HZ1 LYS 17 13.507 -7.581 -7.347 169 HZ2 LYS 17 HZ2 LYS 17 14.020 -6.584 -6.071 170 HZ3 LYS 17 HZ3 LYS 17 12.396 -6.560 -6.569 Start of MODEL 19 1 H1 GLU 1 HT1 GLU 1 3.640 0.734 6.494 2 H2 GLU 1 HT2 GLU 1 2.173 0.221 5.811 3 H3 GLU 1 HT3 GLU 1 3.550 -0.768 5.705 4 HA GLU 1 HA GLU 1 1.659 -0.437 7.833 5 HB2 GLU 1 HB2 GLU 1 3.791 -2.569 7.228 6 HB3 GLU 1 HB1 GLU 1 2.454 -2.747 8.417 7 HG2 GLU 1 HG2 GLU 1 2.043 -2.322 5.376 8 HG3 GLU 1 HG1 GLU 1 1.993 -3.922 6.214 9 H MET 2 HN MET 2 5.253 -0.400 7.462 10 HA MET 2 HA MET 2 5.347 0.349 10.303 11 HB2 MET 2 HB2 MET 2 7.561 -0.950 8.605 12 HB3 MET 2 HB1 MET 2 7.712 -0.462 10.330 13 HG2 MET 2 HG2 MET 2 5.798 -2.602 9.224 14 HG3 MET 2 HG1 MET 2 7.358 -2.917 10.045 15 HE1 MET 2 HE1 MET 2 4.721 -4.239 12.551 16 HE2 MET 2 HE2 MET 2 6.099 -4.583 11.448 17 HE3 MET 2 HE3 MET 2 4.490 -4.158 10.769 18 H ARG 3 HN ARG 3 6.393 2.287 10.801 19 HA ARG 3 HA ARG 3 6.911 3.940 8.485 20 HB2 ARG 3 HB2 ARG 3 5.744 4.858 10.605 21 HB3 ARG 3 HB1 ARG 3 7.340 4.699 11.428 22 HG2 ARG 3 HG2 ARG 3 8.378 6.299 9.887 23 HG3 ARG 3 HG1 ARG 3 6.913 6.336 8.851 24 HD2 ARG 3 HD2 ARG 3 5.603 7.410 10.713 25 HD3 ARG 3 HD1 ARG 3 7.072 7.339 11.784 26 HE ARG 3 HE ARG 3 8.020 9.132 10.538 27 HH11 ARG 3 HH11 ARG 3 5.136 7.804 8.910 28 HH12 ARG 3 HH12 ARG 3 5.040 9.063 7.724 29 HH21 ARG 3 HH21 ARG 3 7.885 10.835 8.925 30 HH22 ARG 3 HH22 ARG 3 6.630 10.813 7.733 31 H LEU 4 HN LEU 4 8.658 1.703 10.380 32 HA LEU 4 HA LEU 4 11.081 2.990 10.691 33 HB2 LEU 4 HB2 LEU 4 10.140 0.258 10.861 34 HB3 LEU 4 HB1 LEU 4 11.605 0.259 9.817 35 HG LEU 4 HG LEU 4 12.121 -0.122 12.224 36 HD11 LEU 4 HD11 LEU 4 13.935 1.664 12.427 37 HD12 LEU 4 HD12 LEU 4 13.228 2.471 10.975 38 HD13 LEU 4 HD13 LEU 4 13.900 0.801 10.843 39 HD21 LEU 4 HD21 LEU 4 11.630 1.354 13.969 40 HD22 LEU 4 HD22 LEU 4 10.181 1.600 12.923 41 HD23 LEU 4 HD23 LEU 4 11.534 2.794 12.887 42 H SER 5 HN SER 5 9.494 1.722 7.758 43 HA SER 5 HA SER 5 11.933 2.001 6.243 44 HB2 SER 5 HB2 SER 5 9.001 1.488 5.441 45 HB3 SER 5 HB1 SER 5 10.313 1.744 4.221 46 HG SER 5 HG SER 5 9.738 -0.478 4.976 47 H LYS 6 HN LYS 6 12.162 4.244 7.264 48 HA LYS 6 HA LYS 6 10.850 6.163 5.495 49 HB2 LYS 6 HB2 LYS 6 9.578 6.559 7.504 50 HB3 LYS 6 HB1 LYS 6 10.989 6.135 8.539 51 HG2 LYS 6 HG2 LYS 6 10.340 8.603 8.541 52 HG3 LYS 6 HG1 LYS 6 12.058 8.261 8.161 53 HD2 LYS 6 HD2 LYS 6 11.266 8.380 5.639 54 HD3 LYS 6 HD1 LYS 6 9.815 9.198 6.302 55 HE2 LYS 6 HE2 LYS 6 11.031 11.142 6.172 56 HE3 LYS 6 HE1 LYS 6 11.965 10.530 7.593 57 H PHE 7 HN PHE 7 13.211 5.659 8.120 58 HA PHE 7 HA PHE 7 14.838 7.761 7.613 59 HB2 PHE 7 HB2 PHE 7 15.570 4.918 8.409 60 HB3 PHE 7 HB1 PHE 7 16.576 6.380 8.739 61 HD1 PHE 7 HD1 PHE 7 14.013 4.215 9.810 62 HD2 PHE 7 HD2 PHE 7 15.521 8.166 10.189 63 HE1 PHE 7 HE1 PHE 7 12.781 4.482 11.896 64 HE2 PHE 7 HE2 PHE 7 14.285 8.425 12.285 65 HZ PHE 7 HZ PHE 7 12.930 6.573 13.097 66 H PHE 8 HN PHE 8 14.849 4.478 5.998 67 HA PHE 8 HA PHE 8 16.982 5.527 4.354 68 HB2 PHE 8 HB2 PHE 8 16.653 3.032 3.306 69 HB3 PHE 8 HB1 PHE 8 17.745 3.381 4.695 70 HD1 PHE 8 HD1 PHE 8 14.634 1.841 3.613 71 HD2 PHE 8 HD2 PHE 8 17.055 2.881 6.939 72 HE1 PHE 8 HE1 PHE 8 13.369 0.297 5.024 73 HE2 PHE 8 HE2 PHE 8 15.795 1.342 8.341 74 HZ PHE 8 HZ PHE 8 13.951 0.039 7.388 75 H ARG 9 HN ARG 9 13.552 5.198 4.369 76 HA ARG 9 HA ARG 9 13.225 4.798 1.591 77 HB2 ARG 9 HB2 ARG 9 11.380 4.529 3.352 78 HB3 ARG 9 HB1 ARG 9 11.360 6.323 3.476 79 HG2 ARG 9 HG2 ARG 9 11.145 5.135 0.703 80 HG3 ARG 9 HG1 ARG 9 9.732 4.927 1.812 81 HD2 ARG 9 HD2 ARG 9 9.817 7.470 2.231 82 HD3 ARG 9 HD1 ARG 9 11.045 7.558 0.894 83 HE ARG 9 HE ARG 9 8.779 6.077 -0.066 84 HH11 ARG 9 HH11 ARG 9 9.720 9.335 1.020 85 HH12 ARG 9 HH12 ARG 9 8.579 10.168 0.017 86 HH21 ARG 9 HH21 ARG 9 7.226 7.207 -1.432 87 HH22 ARG 9 HH22 ARG 9 7.136 8.935 -1.401 88 H ASN 10 HN ASN 10 13.616 7.623 3.763 89 HA ASN 10 HA ASN 10 13.123 9.543 1.802 90 HB2 ASN 10 HB2 ASN 10 14.921 9.633 4.297 91 HB3 ASN 10 HB1 ASN 10 14.572 11.075 3.269 92 HD21 ASN 10 HD21 ASN 10 13.764 9.875 6.171 93 H PHE 11 HN PHE 11 16.069 7.645 2.691 94 HA PHE 11 HA PHE 11 17.740 9.113 0.952 95 HB2 PHE 11 HB2 PHE 11 17.909 6.333 2.235 96 HB3 PHE 11 HB1 PHE 11 19.053 6.773 0.904 97 HD1 PHE 11 HD1 PHE 11 18.592 6.756 4.371 98 HD2 PHE 11 HD2 PHE 11 20.175 9.142 1.231 99 HE1 PHE 11 HE1 PHE 11 20.043 7.905 5.974 100 HE2 PHE 11 HE2 PHE 11 21.622 10.288 2.835 101 HZ PHE 11 HZ PHE 11 21.562 9.672 5.209 102 H ILE 12 HN ILE 12 16.020 5.897 0.612 103 HA ILE 12 HA ILE 12 14.831 6.320 -1.729 104 HB ILE 12 HB ILE 12 16.905 6.775 -2.936 105 HG12 ILE 12 HG12 ILE 12 16.966 4.794 -4.520 106 HG13 ILE 12 HG11 ILE 12 15.840 3.943 -3.413 107 HG21 ILE 12 HG21 ILE 12 18.842 5.271 -2.863 108 HG22 ILE 12 HG22 ILE 12 17.942 4.067 -1.869 109 HG23 ILE 12 HG23 ILE 12 18.392 5.664 -1.163 110 HD11 ILE 12 HD11 ILE 12 15.141 5.708 -5.544 111 HD12 ILE 12 HD12 ILE 12 14.834 6.655 -4.039 112 HD13 ILE 12 HD13 ILE 12 14.038 5.053 -4.275 113 H LEU 13 HN LEU 13 13.557 4.546 -2.129 114 HA LEU 13 HA LEU 13 14.541 1.999 -1.161 115 HB2 LEU 13 HB2 LEU 13 12.127 3.470 -0.145 116 HB3 LEU 13 HB1 LEU 13 11.822 1.769 -0.643 117 HG LEU 13 HG LEU 13 14.008 2.653 1.321 118 HD11 LEU 13 HD11 LEU 13 12.520 2.564 3.034 119 HD12 LEU 13 HD12 LEU 13 11.805 1.017 2.441 120 HD13 LEU 13 HD13 LEU 13 11.217 2.592 1.787 121 HD21 LEU 13 HD21 LEU 13 13.651 0.006 1.857 122 HD22 LEU 13 HD22 LEU 13 14.824 0.599 0.623 123 HD23 LEU 13 HD23 LEU 13 13.204 -0.010 0.108 124 H GLN 14 HN GLN 14 13.801 0.251 -2.411 125 HA GLN 14 HA GLN 14 12.001 0.964 -4.588 126 HB2 GLN 14 HB2 GLN 14 14.721 -0.448 -4.872 127 HB3 GLN 14 HB1 GLN 14 13.438 -0.501 -6.136 128 HG2 GLN 14 HG2 GLN 14 13.546 1.931 -6.458 129 HG3 GLN 14 HG1 GLN 14 14.677 2.113 -5.060 130 HE21 GLN 14 HE21 GLN 14 15.114 2.812 -7.943 131 HE22 GLN 14 HE22 GLN 14 16.504 1.913 -8.449 132 H ARG 15 HN ARG 15 10.969 -0.088 -2.488 133 HA ARG 15 HA ARG 15 11.439 -2.797 -2.073 134 HB2 ARG 15 HB2 ARG 15 8.913 -1.122 -1.590 135 HB3 ARG 15 HB1 ARG 15 9.084 -2.831 -1.057 136 HG2 ARG 15 HG2 ARG 15 10.927 -0.524 -0.180 137 HG3 ARG 15 HG1 ARG 15 9.529 -1.144 0.766 138 HD2 ARG 15 HD2 ARG 15 10.655 -3.461 0.768 139 HD3 ARG 15 HD1 ARG 15 12.118 -2.669 0.031 140 HE ARG 15 HE ARG 15 11.308 -1.170 2.359 141 HH11 ARG 15 HH11 ARG 15 12.694 -4.292 1.350 142 HH12 ARG 15 HH12 ARG 15 13.589 -4.542 2.812 143 HH21 ARG 15 HH21 ARG 15 12.520 -1.511 4.350 144 HH22 ARG 15 HH22 ARG 15 13.488 -2.933 4.546 145 H LYS 16 HN LYS 16 9.239 -0.986 -4.262 146 HA LYS 16 HA LYS 16 8.235 -3.527 -5.262 147 HB2 LYS 16 HB2 LYS 16 7.556 -0.669 -6.178 148 HB3 LYS 16 HB1 LYS 16 6.701 -2.174 -6.665 149 HG2 LYS 16 HG2 LYS 16 6.825 -1.029 -3.807 150 HG3 LYS 16 HG1 LYS 16 5.444 -0.865 -4.943 151 HD2 LYS 16 HD2 LYS 16 5.214 -3.372 -4.994 152 HD3 LYS 16 HD1 LYS 16 6.565 -3.508 -3.817 153 HE2 LYS 16 HE2 LYS 16 5.229 -2.196 -2.132 154 HE3 LYS 16 HE1 LYS 16 3.864 -2.083 -3.320 155 HZ1 LYS 16 HZ1 LYS 16 4.606 -4.749 -3.176 156 HZ2 LYS 16 HZ2 LYS 16 3.201 -4.012 -2.571 157 HZ3 LYS 16 HZ3 LYS 16 4.564 -4.185 -1.575 158 H LYS 17 HN LYS 17 10.255 -4.304 -6.177 159 HA LYS 17 HA LYS 17 11.352 -2.611 -8.269 160 HB2 LYS 17 HB2 LYS 17 12.846 -3.931 -6.603 161 HB3 LYS 17 HB1 LYS 17 12.268 -5.418 -7.431 162 HG2 LYS 17 HG2 LYS 17 13.221 -4.678 -9.566 163 HG3 LYS 17 HG1 LYS 17 13.648 -3.076 -8.871 164 HD2 LYS 17 HD2 LYS 17 15.678 -4.384 -8.934 165 HD3 LYS 17 HD1 LYS 17 15.169 -4.288 -7.214 166 HE2 LYS 17 HE2 LYS 17 14.222 -6.592 -7.330 167 HE3 LYS 17 HE1 LYS 17 14.635 -6.689 -9.093 168 HZ1 LYS 17 HZ1 LYS 17 16.639 -7.318 -8.540 169 HZ2 LYS 17 HZ2 LYS 17 16.233 -7.271 -6.891 170 HZ3 LYS 17 HZ3 LYS 17 16.908 -5.904 -7.639 Start of MODEL 20 1 H1 GLU 1 HT1 GLU 1 0.876 -1.354 9.119 2 H2 GLU 1 HT2 GLU 1 2.457 -1.131 8.541 3 H3 GLU 1 HT3 GLU 1 1.137 -0.521 7.663 4 HA GLU 1 HA GLU 1 1.573 1.384 8.650 5 HB2 GLU 1 HB2 GLU 1 0.511 -0.127 11.112 6 HB3 GLU 1 HB1 GLU 1 0.515 1.660 10.913 7 HG2 GLU 1 HG2 GLU 1 -1.057 -0.336 9.142 8 HG3 GLU 1 HG1 GLU 1 -1.752 0.695 10.453 9 H MET 2 HN MET 2 4.039 0.581 8.414 10 HA MET 2 HA MET 2 5.159 0.801 11.122 11 HB2 MET 2 HB2 MET 2 6.395 -0.600 8.678 12 HB3 MET 2 HB1 MET 2 7.183 -0.411 10.284 13 HG2 MET 2 HG2 MET 2 4.593 -1.978 9.728 14 HG3 MET 2 HG1 MET 2 6.224 -2.693 9.924 15 HE1 MET 2 HE1 MET 2 4.300 -3.886 13.068 16 HE2 MET 2 HE2 MET 2 5.171 -4.309 11.554 17 HE3 MET 2 HE3 MET 2 3.563 -3.511 11.471 18 H ARG 3 HN ARG 3 6.678 2.438 11.424 19 HA ARG 3 HA ARG 3 6.958 4.199 9.113 20 HB2 ARG 3 HB2 ARG 3 6.339 5.107 11.481 21 HB3 ARG 3 HB1 ARG 3 8.033 4.696 11.938 22 HG2 ARG 3 HG2 ARG 3 8.935 6.251 10.264 23 HG3 ARG 3 HG1 ARG 3 7.300 6.546 9.584 24 HD2 ARG 3 HD2 ARG 3 7.886 8.460 11.014 25 HD3 ARG 3 HD1 ARG 3 6.623 7.496 11.902 26 HE ARG 3 HE ARG 3 9.244 6.538 12.643 27 HH11 ARG 3 HH11 ARG 3 7.078 9.349 12.944 28 HH12 ARG 3 HH12 ARG 3 7.699 9.859 14.479 29 HH21 ARG 3 HH21 ARG 3 10.088 7.229 14.731 30 HH22 ARG 3 HH22 ARG 3 9.440 8.632 15.511 31 H LEU 4 HN LEU 4 8.524 1.527 10.391 32 HA LEU 4 HA LEU 4 11.166 2.342 10.485 33 HB2 LEU 4 HB2 LEU 4 9.803 -0.163 10.592 34 HB3 LEU 4 HB1 LEU 4 10.924 -0.302 9.192 35 HG LEU 4 HG LEU 4 11.977 -1.104 11.270 36 HD11 LEU 4 HD11 LEU 4 13.326 0.067 9.427 37 HD12 LEU 4 HD12 LEU 4 14.100 0.055 11.058 38 HD13 LEU 4 HD13 LEU 4 13.301 1.554 10.448 39 HD21 LEU 4 HD21 LEU 4 12.140 1.680 12.472 40 HD22 LEU 4 HD22 LEU 4 12.136 0.063 13.272 41 HD23 LEU 4 HD23 LEU 4 10.593 0.771 12.661 42 H SER 5 HN SER 5 8.991 1.770 7.710 43 HA SER 5 HA SER 5 11.205 1.860 5.870 44 HB2 SER 5 HB2 SER 5 8.159 2.095 5.417 45 HB3 SER 5 HB1 SER 5 9.390 2.074 4.090 46 HG SER 5 HG SER 5 8.402 0.036 4.617 47 H LYS 6 HN LYS 6 12.012 3.863 7.073 48 HA LYS 6 HA LYS 6 10.895 6.191 5.724 49 HB2 LYS 6 HB2 LYS 6 9.878 6.464 7.918 50 HB3 LYS 6 HB1 LYS 6 11.355 5.818 8.723 51 HG2 LYS 6 HG2 LYS 6 10.979 8.347 8.949 52 HG3 LYS 6 HG1 LYS 6 12.594 7.849 8.345 53 HD2 LYS 6 HD2 LYS 6 11.594 8.210 5.954 54 HD3 LYS 6 HD1 LYS 6 10.253 9.067 6.781 55 HE2 LYS 6 HE2 LYS 6 11.569 10.941 6.617 56 HE3 LYS 6 HE1 LYS 6 12.564 10.220 7.944 57 H PHE 7 HN PHE 7 13.330 4.975 8.025 58 HA PHE 7 HA PHE 7 15.260 6.824 7.571 59 HB2 PHE 7 HB2 PHE 7 15.528 3.829 8.016 60 HB3 PHE 7 HB1 PHE 7 16.807 5.048 8.376 61 HD1 PHE 7 HD1 PHE 7 13.918 3.315 9.455 62 HD2 PHE 7 HD2 PHE 7 16.297 6.766 10.121 63 HE1 PHE 7 HE1 PHE 7 12.930 3.564 11.668 64 HE2 PHE 7 HE2 PHE 7 15.305 7.008 12.345 65 HZ PHE 7 HZ PHE 7 13.630 5.397 13.074 66 H PHE 8 HN PHE 8 14.565 3.777 5.667 67 HA PHE 8 HA PHE 8 16.693 4.644 3.909 68 HB2 PHE 8 HB2 PHE 8 16.111 2.388 2.682 69 HB3 PHE 8 HB1 PHE 8 17.041 2.334 4.224 70 HD1 PHE 8 HD1 PHE 8 13.799 1.724 2.624 71 HD2 PHE 8 HD2 PHE 8 16.064 1.525 6.207 72 HE1 PHE 8 HE1 PHE 8 12.108 0.272 3.619 73 HE2 PHE 8 HE2 PHE 8 14.377 0.078 7.195 74 HZ PHE 8 HZ PHE 8 12.394 -0.560 5.908 75 H ARG 9 HN ARG 9 13.269 4.815 4.252 76 HA ARG 9 HA ARG 9 12.631 4.736 1.507 77 HB2 ARG 9 HB2 ARG 9 10.961 4.589 3.466 78 HB3 ARG 9 HB1 ARG 9 11.191 6.361 3.665 79 HG2 ARG 9 HG2 ARG 9 9.715 6.788 2.027 80 HG3 ARG 9 HG1 ARG 9 10.661 5.795 0.856 81 HD2 ARG 9 HD2 ARG 9 9.417 3.794 1.378 82 HD3 ARG 9 HD1 ARG 9 8.734 4.514 2.898 83 HE ARG 9 HE ARG 9 7.168 5.754 1.585 84 HH11 ARG 9 HH11 ARG 9 9.544 4.028 -0.439 85 HH12 ARG 9 HH12 ARG 9 8.675 4.256 -1.918 86 HH21 ARG 9 HH21 ARG 9 5.993 6.058 -0.426 87 HH22 ARG 9 HH22 ARG 9 6.624 5.428 -1.910 88 H ASN 10 HN ASN 10 13.736 7.268 3.811 89 HA ASN 10 HA ASN 10 13.350 9.382 1.955 90 HB2 ASN 10 HB2 ASN 10 15.194 9.182 4.414 91 HB3 ASN 10 HB1 ASN 10 14.877 10.700 3.494 92 HD21 ASN 10 HD21 ASN 10 14.239 9.617 6.382 93 H PHE 11 HN PHE 11 15.601 6.768 2.168 94 HA PHE 11 HA PHE 11 17.641 8.287 0.742 95 HB2 PHE 11 HB2 PHE 11 17.573 5.597 2.168 96 HB3 PHE 11 HB1 PHE 11 18.714 5.794 0.779 97 HD1 PHE 11 HD1 PHE 11 17.632 7.614 3.862 98 HD2 PHE 11 HD2 PHE 11 20.800 6.565 1.235 99 HE1 PHE 11 HE1 PHE 11 19.220 8.746 5.326 100 HE2 PHE 11 HE2 PHE 11 22.392 7.699 2.708 101 HZ PHE 11 HZ PHE 11 21.608 8.792 4.761 102 H ILE 12 HN ILE 12 14.756 7.260 -0.081 103 HA ILE 12 HA ILE 12 13.838 6.774 -2.029 104 HB ILE 12 HB ILE 12 16.534 6.034 -3.223 105 HG12 ILE 12 HG12 ILE 12 16.686 8.381 -2.440 106 HG13 ILE 12 HG11 ILE 12 16.576 8.315 -4.231 107 HG21 ILE 12 HG21 ILE 12 13.674 6.386 -4.204 108 HG22 ILE 12 HG22 ILE 12 14.912 5.152 -4.651 109 HG23 ILE 12 HG23 ILE 12 15.025 6.824 -5.317 110 HD11 ILE 12 HD11 ILE 12 14.430 9.191 -2.216 111 HD12 ILE 12 HD12 ILE 12 13.987 8.687 -3.892 112 HD13 ILE 12 HD13 ILE 12 15.094 10.087 -3.634 113 H LEU 13 HN LEU 13 12.674 4.966 -2.137 114 HA LEU 13 HA LEU 13 14.100 2.473 -1.577 115 HB2 LEU 13 HB2 LEU 13 12.461 3.033 0.222 116 HB3 LEU 13 HB1 LEU 13 11.184 3.269 -1.018 117 HG LEU 13 HG LEU 13 11.372 0.870 -1.673 118 HD11 LEU 13 HD11 LEU 13 12.600 -0.572 0.258 119 HD12 LEU 13 HD12 LEU 13 13.619 0.912 0.371 120 HD13 LEU 13 HD13 LEU 13 13.485 0.028 -1.195 121 HD21 LEU 13 HD21 LEU 13 9.639 0.686 -0.234 122 HD22 LEU 13 HD22 LEU 13 10.337 1.950 0.850 123 HD23 LEU 13 HD23 LEU 13 10.808 0.219 1.060 124 H GLN 14 HN GLN 14 14.309 1.251 -3.395 125 HA GLN 14 HA GLN 14 12.025 1.245 -5.215 126 HB2 GLN 14 HB2 GLN 14 14.988 1.531 -5.998 127 HB3 GLN 14 HB1 GLN 14 13.691 1.057 -7.155 128 HG2 GLN 14 HG2 GLN 14 12.549 3.213 -6.881 129 HG3 GLN 14 HG1 GLN 14 13.674 3.688 -5.546 130 HE21 GLN 14 HE21 GLN 14 13.206 5.013 -8.204 131 HE22 GLN 14 HE22 GLN 14 14.748 5.064 -8.988 132 H ARG 15 HN ARG 15 13.263 -0.358 -2.930 133 HA ARG 15 HA ARG 15 14.528 -2.557 -4.073 134 HB2 ARG 15 HB2 ARG 15 12.920 -2.322 -1.478 135 HB3 ARG 15 HB1 ARG 15 13.796 -3.816 -1.961 136 HG2 ARG 15 HG2 ARG 15 15.148 -1.070 -1.628 137 HG3 ARG 15 HG1 ARG 15 15.041 -2.304 -0.325 138 HD2 ARG 15 HD2 ARG 15 16.289 -3.944 -1.821 139 HD3 ARG 15 HD1 ARG 15 16.475 -2.619 -3.054 140 HE ARG 15 HE ARG 15 17.392 -1.638 -0.511 141 HH11 ARG 15 HH11 ARG 15 18.174 -4.030 -3.031 142 HH12 ARG 15 HH12 ARG 15 19.884 -3.986 -2.760 143 HH21 ARG 15 HH21 ARG 15 19.717 -1.576 -0.140 144 HH22 ARG 15 HH22 ARG 15 20.776 -2.566 -1.087 145 H LYS 16 HN LYS 16 11.094 -1.735 -3.448 146 HA LYS 16 HA LYS 16 10.322 -4.328 -4.498 147 HB2 LYS 16 HB2 LYS 16 8.552 -1.957 -3.652 148 HB3 LYS 16 HB1 LYS 16 7.986 -3.620 -4.037 149 HG2 LYS 16 HG2 LYS 16 9.839 -2.861 -1.694 150 HG3 LYS 16 HG1 LYS 16 8.073 -3.170 -1.574 151 HD2 LYS 16 HD2 LYS 16 8.447 -5.514 -2.422 152 HD3 LYS 16 HD1 LYS 16 10.215 -5.195 -2.485 153 HE2 LYS 16 HE2 LYS 16 9.677 -6.416 -0.402 154 HE3 LYS 16 HE1 LYS 16 10.164 -4.723 0.026 155 HZ1 LYS 16 HZ1 LYS 16 7.374 -4.907 -0.473 156 HZ2 LYS 16 HZ2 LYS 16 8.205 -4.387 0.913 157 HZ3 LYS 16 HZ3 LYS 16 7.848 -6.034 0.704 158 H LYS 17 HN LYS 17 11.238 -4.041 -6.653 159 HA LYS 17 HA LYS 17 10.021 -1.879 -8.174 160 HB2 LYS 17 HB2 LYS 17 12.496 -2.317 -8.458 161 HB3 LYS 17 HB1 LYS 17 12.107 -3.989 -8.994 162 HG2 LYS 17 HG2 LYS 17 10.841 -3.085 -10.943 163 HG3 LYS 17 HG1 LYS 17 11.191 -1.406 -10.403 164 HD2 LYS 17 HD2 LYS 17 13.644 -1.835 -10.665 165 HD3 LYS 17 HD1 LYS 17 13.295 -3.516 -11.198 166 HE2 LYS 17 HE2 LYS 17 12.045 -2.634 -13.190 167 HE3 LYS 17 HE1 LYS 17 12.384 -0.938 -12.648 168 HZ1 LYS 17 HZ1 LYS 17 14.044 -2.781 -14.041 169 HZ2 LYS 17 HZ2 LYS 17 14.811 -2.212 -12.635 170 HZ3 LYS 17 HZ3 LYS 17 14.228 -1.112 -13.790
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