NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
570032 | 2ma9 | 19333 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 6 HT1 GLY 6 18.696 -3.672 9.460 2 H2 GLY 6 HT2 GLY 6 17.626 -3.710 8.141 3 H3 GLY 6 HT3 GLY 6 19.119 -4.508 8.054 4 H SER 7 HN SER 7 15.213 -5.757 9.002 5 HG SER 7 HG SER 7 13.480 -4.970 8.385 6 H LEU 8 HN LEU 8 14.263 -4.631 6.487 7 H GLN 9 HN GLN 9 16.737 -4.304 5.692 8 HE21 GLN 9 HE21 GLN 9 23.146 -4.601 6.088 9 HE22 GLN 9 HE22 GLN 9 23.090 -5.898 7.230 10 H TYR 10 HN TYR 10 17.551 -6.711 4.599 11 HH TYR 10 HH TYR 10 17.425 -14.258 1.015 12 H LEU 11 HN LEU 11 15.943 -7.449 3.242 13 H ALA 12 HN ALA 12 16.174 -5.680 1.215 14 H LEU 13 HN LEU 13 18.067 -6.468 -0.509 15 H ALA 14 HN ALA 14 16.917 -8.452 -1.482 16 H ALA 15 HN ALA 15 15.865 -7.447 -3.672 17 H LEU 16 HN LEU 16 16.179 -6.044 -4.905 18 H ILE 17 HN ILE 17 18.282 -6.143 -8.281 19 H LYS 18 HN LYS 18 20.197 -3.147 -6.455 20 HZ1 LYS 18 HZ1 LYS 18 17.580 3.849 -8.326 21 HZ2 LYS 18 HZ2 LYS 18 18.447 4.924 -7.346 22 HZ3 LYS 18 HZ3 LYS 18 17.508 3.707 -6.638 23 H LYS 20 HN LYS 20 23.160 1.039 -7.662 24 HZ1 LYS 20 HZ1 LYS 20 21.429 6.250 -12.601 25 HZ2 LYS 20 HZ2 LYS 20 22.640 5.213 -12.050 26 HZ3 LYS 20 HZ3 LYS 20 21.727 6.112 -10.938 27 H GLN 21 HN GLN 21 24.653 5.232 -8.374 28 HE21 GLN 21 HE21 GLN 21 29.535 4.926 -8.249 29 HE22 GLN 21 HE22 GLN 21 30.218 4.764 -6.671 30 H ILE 22 HN ILE 22 26.068 6.188 -4.116 31 H LYS 23 HN LYS 23 22.759 8.599 -2.375 32 HZ1 LYS 23 HZ1 LYS 23 26.753 14.114 -1.732 33 HZ2 LYS 23 HZ2 LYS 23 27.183 15.586 -2.461 34 HZ3 LYS 23 HZ3 LYS 23 27.359 14.136 -3.321 35 H LEU 26 HN LEU 26 17.193 13.418 -2.335 36 H SER 28 HN SER 28 14.629 17.944 -2.333 37 HG SER 28 HG SER 28 15.035 19.810 -3.624 38 H VAL 29 HN VAL 29 12.983 16.061 -3.141 39 H ARG 30 HN ARG 30 11.728 12.730 -3.583 40 HE ARG 30 HE ARG 30 9.003 13.303 -0.029 41 HH11 ARG 30 HH11 ARG 30 5.809 11.881 0.162 42 HH12 ARG 30 HH12 ARG 30 5.417 12.630 1.681 43 HH21 ARG 30 HH21 ARG 30 8.502 14.289 1.969 44 HH22 ARG 30 HH22 ARG 30 6.953 14.010 2.696 45 H LYS 31 HN LYS 31 14.094 11.895 -2.462 46 HZ1 LYS 31 HZ1 LYS 31 17.620 7.109 -6.256 47 HZ2 LYS 31 HZ2 LYS 31 17.999 8.762 -6.302 48 HZ3 LYS 31 HZ3 LYS 31 18.425 7.763 -7.601 49 H LEU 32 HN LEU 32 16.680 8.480 -2.997 50 H THR 33 HN THR 33 20.264 11.372 -3.003 51 HG1 THR 33 HG1 THR 33 20.616 13.527 -2.825 52 H GLU 34 HN GLU 34 21.727 11.843 -7.339 53 H ASP 35 HN ASP 35 25.189 10.016 -6.126 54 H ARG 36 HN ARG 36 27.308 10.916 -4.435 55 HE ARG 36 HE ARG 36 30.247 8.015 -2.853 56 HH11 ARG 36 HH11 ARG 36 32.161 5.483 -4.329 57 HH12 ARG 36 HH12 ARG 36 31.330 4.207 -3.500 58 HH21 ARG 36 HH21 ARG 36 29.152 6.355 -1.784 59 HH22 ARG 36 HH22 ARG 36 29.618 4.704 -2.050 60 H TRP 37 HN TRP 37 28.889 11.565 -2.884 61 HE1 TRP 37 HE1 TRP 37 28.499 6.737 2.042 62 H1 MET 1 HT1 MET 1 -8.771 -15.379 -9.637 63 H2 MET 1 HT2 MET 1 -8.160 -16.951 -9.853 64 H3 MET 1 HT3 MET 1 -7.334 -15.853 -8.868 65 H ASP 2 HN ASP 2 -6.954 -15.702 -6.976 66 H VAL 3 HN VAL 3 -8.248 -12.394 -4.060 67 H PHE 4 HN PHE 4 -6.343 -9.000 -5.564 68 H LEU 5 HN LEU 5 -7.274 -6.423 -2.267 69 H MET 6 HN MET 6 -7.305 -2.087 -3.327 70 H ILE 7 HN ILE 7 -8.440 -1.080 0.468 71 H ARG 8 HN ARG 8 -9.168 2.793 -1.170 72 HE ARG 8 HE ARG 8 -4.563 7.518 0.109 73 HH11 ARG 8 HH11 ARG 8 -4.925 7.774 -3.370 74 HH12 ARG 8 HH12 ARG 8 -4.148 9.323 -3.452 75 HH21 ARG 8 HH21 ARG 8 -3.560 9.522 0.010 76 HH22 ARG 8 HH22 ARG 8 -3.377 10.354 -1.509 77 H ARG 9 HN ARG 9 -8.819 5.053 2.439 78 HE ARG 9 HE ARG 9 -10.196 8.379 5.651 79 HH11 ARG 9 HH11 ARG 9 -13.473 9.611 5.543 80 HH12 ARG 9 HH12 ARG 9 -13.011 11.260 5.841 81 HH21 ARG 9 HH21 ARG 9 -9.577 10.554 6.033 82 HH22 ARG 9 HH22 ARG 9 -10.788 11.801 6.102 83 H HIS 10 HN HIS 10 -8.881 7.753 0.421 84 HE2 HIS 10 HE2 HIS 10 -5.524 13.765 -0.086 85 H LYS 11 HN LYS 11 -7.487 9.753 3.673 86 HZ1 LYS 11 HZ1 LYS 11 -1.478 13.137 3.207 87 HZ2 LYS 11 HZ2 LYS 11 -1.442 13.426 4.876 88 HZ3 LYS 11 HZ3 LYS 11 -1.734 14.698 3.802 89 H THR 12 HN THR 12 -7.215 7.451 4.108 90 HG1 THR 12 HG1 THR 12 -7.251 6.949 7.729 91 H THR 13 HN THR 13 -4.767 4.113 4.456 92 HG1 THR 13 HG1 THR 13 -3.514 4.144 0.838 93 H ILE 14 HN ILE 14 -7.470 1.152 2.714 94 H PHE 15 HN PHE 15 -5.369 -2.398 4.075 95 H THR 16 HN THR 16 -7.178 -4.527 0.605 96 HG1 THR 16 HG1 THR 16 -8.947 -3.739 1.686 97 H ASP 17 HN ASP 17 -8.315 -8.376 2.253 98 H ALA 18 HN ALA 18 -9.260 -9.858 -1.357 99 H LYS 19 HN LYS 19 -12.762 -12.322 -2.079 100 HZ1 LYS 19 HZ1 LYS 19 -7.705 -14.238 -1.504 101 HZ2 LYS 19 HZ2 LYS 19 -8.204 -14.034 0.103 102 HZ3 LYS 19 HZ3 LYS 19 -9.161 -13.448 -1.162 103 H GLU 20 HN GLU 20 -12.023 -14.221 -6.042 104 H SER 21 HN SER 21 -14.605 -14.773 -5.352 105 HG SER 21 HG SER 21 -15.889 -16.681 -6.605 106 H SER 22 HN SER 22 -15.532 -12.787 -4.185 107 HG SER 22 HG SER 22 -15.306 -12.807 -0.743 108 H THR 23 HN THR 23 -18.942 -10.599 -2.023 109 HG1 THR 23 HG1 THR 23 -20.640 -10.177 -1.352 110 H VAL 24 HN VAL 24 -19.847 -6.739 -4.297 111 H PHE 25 HN PHE 25 -21.032 -5.979 -2.126 112 H GLU 26 HN GLU 26 -19.855 -7.386 -0.209 113 H LEU 27 HN LEU 27 -17.514 -6.200 0.140 114 H LYS 28 HN LYS 28 -18.102 -3.884 1.326 115 HZ1 LYS 28 HZ1 LYS 28 -22.474 -0.108 -1.080 116 HZ2 LYS 28 HZ2 LYS 28 -21.706 1.143 -1.924 117 HZ3 LYS 28 HZ3 LYS 28 -22.154 1.370 -0.309 118 H ARG 29 HN ARG 29 -18.834 -4.797 3.686 119 HE ARG 29 HE ARG 29 -21.878 -7.106 7.202 120 HH11 ARG 29 HH11 ARG 29 -23.056 -9.474 4.907 121 HH12 ARG 29 HH12 ARG 29 -23.959 -10.362 6.092 122 HH21 ARG 29 HH21 ARG 29 -23.094 -8.260 8.762 123 HH22 ARG 29 HH22 ARG 29 -23.985 -9.669 8.282 124 H ILE 30 HN ILE 30 -16.586 -5.462 4.731 125 H VAL 31 HN VAL 31 -15.214 -3.259 5.074 126 H GLU 32 HN GLU 32 -16.776 -2.278 6.924 127 H GLY 33 HN GLY 33 -16.091 -3.652 9.149 128 H ILE 34 HN ILE 34 -14.161 -2.035 9.939 129 H LEU 35 HN LEU 35 -13.504 0.089 9.652 130 H LYS 36 HN LYS 36 -15.086 0.317 11.389 131 HZ1 LYS 36 HZ1 LYS 36 -11.600 -0.095 14.523 132 HZ2 LYS 36 HZ2 LYS 36 -11.495 -0.901 16.005 133 HZ3 LYS 36 HZ3 LYS 36 -11.666 0.780 15.967 134 H ARG 37 HN ARG 37 -17.042 1.603 10.004 135 HE ARG 37 HE ARG 37 -15.301 6.355 10.985 136 HH11 ARG 37 HH11 ARG 37 -18.529 7.613 11.426 137 HH12 ARG 37 HH12 ARG 37 -18.009 8.994 12.338 138 HH21 ARG 37 HH21 ARG 37 -14.602 8.144 12.214 139 HH22 ARG 37 HH22 ARG 37 -15.767 9.292 12.793 140 H ASP 40 HN ASP 40 -23.960 1.409 5.518 141 H GLU 41 HN GLU 41 -23.161 3.893 5.003 142 H GLN 42 HN GLN 42 -21.630 3.440 3.210 143 HE21 GLN 42 HE21 GLN 42 -18.727 1.298 6.325 144 HE22 GLN 42 HE22 GLN 42 -17.772 -0.085 5.922 145 H ARG 43 HN ARG 43 -18.365 4.947 0.445 146 HE ARG 43 HE ARG 43 -23.665 5.998 -3.080 147 HH11 ARG 43 HH11 ARG 43 -22.511 4.257 -0.262 148 HH12 ARG 43 HH12 ARG 43 -24.058 4.259 0.529 149 HH21 ARG 43 HH21 ARG 43 -25.701 5.968 -2.061 150 HH22 ARG 43 HH22 ARG 43 -25.881 5.205 -0.515 151 H LEU 44 HN LEU 44 -18.638 2.434 -2.890 152 H TYR 45 HN TYR 45 -14.762 3.738 -4.420 153 HH TYR 45 HH TYR 45 -19.742 8.863 -4.632 154 H LYS 46 HN LYS 46 -14.962 2.225 -8.346 155 HZ1 LYS 46 HZ1 LYS 46 -13.071 -2.328 -12.212 156 HZ2 LYS 46 HZ2 LYS 46 -11.594 -2.939 -12.759 157 HZ3 LYS 46 HZ3 LYS 46 -11.698 -1.326 -12.249 158 H ASP 47 HN ASP 47 -10.868 2.567 -9.956 159 H ASP 48 HN ASP 48 -12.140 4.835 -10.252 160 H GLN 49 HN GLN 49 -14.568 4.188 -10.735 161 HE21 GLN 49 HE21 GLN 49 -16.791 6.523 -13.392 162 HE22 GLN 49 HE22 GLN 49 -18.345 6.823 -14.092 163 H LEU 50 HN LEU 50 -18.988 4.299 -10.527 164 H LEU 51 HN LEU 51 -18.439 1.437 -7.072 165 H ASP 52 HN ASP 52 -20.427 -2.514 -8.361 166 H ASP 53 HN ASP 53 -23.412 -2.090 -5.180 167 H GLY 54 HN GLY 54 -24.615 -4.493 -5.700 168 H LYS 55 HN LYS 55 -22.748 -5.970 -6.512 169 HZ1 LYS 55 HZ1 LYS 55 -22.244 -5.314 -13.909 170 HZ2 LYS 55 HZ2 LYS 55 -22.840 -3.897 -13.205 171 HZ3 LYS 55 HZ3 LYS 55 -23.840 -4.831 -14.191 172 H THR 56 HN THR 56 -20.773 -9.510 -8.534 173 HG1 THR 56 HG1 THR 56 -20.261 -11.097 -9.102 174 H LEU 57 HN LEU 57 -16.806 -9.862 -6.289 175 H GLY 58 HN GLY 58 -15.947 -10.952 -8.675 176 H GLU 59 HN GLU 59 -17.535 -9.753 -10.507 177 H CYS 60 HN CYS 60 -16.547 -7.576 -10.605 178 HG CYS 60 HG CYS 60 -18.228 -6.671 -8.754 179 H GLY 61 HN GLY 61 -14.998 -7.197 -12.445 180 H PHE 62 HN PHE 62 -13.107 -7.721 -10.882 181 H THR 63 HN THR 63 -9.999 -8.054 -12.140 182 HG1 THR 63 HG1 THR 63 -8.500 -7.872 -13.683 183 H SER 64 HN SER 64 -7.749 -12.028 -11.406 184 HG SER 64 HG SER 64 -7.024 -13.115 -8.763 185 H GLN 65 HN GLN 65 -5.862 -10.585 -12.788 186 HE21 GLN 65 HE21 GLN 65 -2.970 -13.613 -14.460 187 HE22 GLN 65 HE22 GLN 65 -1.300 -13.294 -14.145 188 H THR 66 HN THR 66 -5.910 -8.302 -12.343 189 HG1 THR 66 HG1 THR 66 -6.953 -6.479 -14.214 190 H ALA 67 HN ALA 67 -6.025 -7.871 -10.234 191 H ARG 68 HN ARG 68 -2.903 -6.787 -8.301 192 HE ARG 68 HE ARG 68 -0.690 -9.556 -12.568 193 HH11 ARG 68 HH11 ARG 68 1.841 -7.159 -12.350 194 HH12 ARG 68 HH12 ARG 68 2.189 -7.197 -14.051 195 HH21 ARG 68 HH21 ARG 68 -0.221 -9.635 -14.797 196 HH22 ARG 68 HH22 ARG 68 1.025 -8.606 -15.440 197 H GLN 70 HN GLN 70 1.131 -8.414 -6.384 198 HE21 GLN 70 HE21 GLN 70 5.596 -9.321 -8.641 199 HE22 GLN 70 HE22 GLN 70 4.756 -9.758 -10.086 200 H ALA 71 HN ALA 71 0.309 -6.419 -6.367 201 H ALA 73 HN ALA 73 -5.712 -4.392 -6.172 202 H THR 74 HN THR 74 -5.630 -0.010 -6.930 203 HG1 THR 74 HG1 THR 74 -3.793 2.179 -6.203 204 H VAL 75 HN VAL 75 -8.593 0.839 -3.751 205 H GLY 76 HN GLY 76 -11.539 3.805 -5.201 206 H LEU 77 HN LEU 77 -11.684 5.446 -0.983 207 H ALA 78 HN ALA 78 -15.831 6.051 -0.937 208 H PHE 79 HN PHE 79 -16.117 8.943 2.367 209 H ARG 80 HN ARG 80 -20.331 8.119 3.071 210 HE ARG 80 HE ARG 80 -25.090 8.885 3.237 211 HH11 ARG 80 HH11 ARG 80 -26.047 9.245 -0.110 212 HH12 ARG 80 HH12 ARG 80 -27.130 7.893 -0.091 213 HH21 ARG 80 HH21 ARG 80 -26.471 7.071 3.274 214 HH22 ARG 80 HH22 ARG 80 -27.363 6.637 1.843 215 H ALA 81 HN ALA 81 -20.858 12.436 4.094 216 H ASP 82 HN ASP 82 -23.188 13.648 7.596 217 H ASP 83 HN ASP 83 -23.477 17.621 5.417 218 H THR 84 HN THR 84 -20.697 16.820 6.752 219 HG1 THR 84 HG1 THR 84 -19.063 16.544 8.428 220 H PHE 85 HN PHE 85 -17.368 18.842 4.719 221 H GLU 86 HN GLU 86 -16.137 16.636 4.187 222 H ALA 87 HN ALA 87 -16.828 14.730 2.620 223 H LEU 88 HN LEU 88 -16.982 15.454 -0.013 224 H CYS 89 HN CYS 89 -14.344 15.468 -0.489 225 HG CYS 89 HG CYS 89 -13.012 17.953 -0.729 226 H ILE 90 HN ILE 90 -13.693 13.054 -0.997 227 H GLU 91 HN GLU 91 -14.305 12.647 -3.183 228 H PHE 93 HN PHE 93 -15.936 10.912 -7.806 229 H SER 94 HN SER 94 -15.187 13.321 -8.120 230 HG SER 94 HG SER 94 -17.948 14.877 -8.099 231 H SER 95 HN SER 95 -13.895 14.246 -7.015 232 HG SER 95 HG SER 95 -13.369 15.734 -4.709 233 H GLU 98 HN GLU 98 -6.385 11.515 -5.495 234 H LEU 99 HN LEU 99 -2.753 13.888 -6.607 235 H ASP 101 HN ASP 101 2.366 16.993 -6.499 236 H VAL 102 HN VAL 102 5.046 16.607 -6.524 237 H MET 103 HN MET 103 5.085 14.173 -7.272 238 H LYS 104 HN LYS 104 5.553 13.887 -9.768 239 HZ1 LYS 104 HZ1 LYS 104 2.289 18.529 -13.674 240 HZ2 LYS 104 HZ2 LYS 104 2.015 18.252 -12.026 241 HZ3 LYS 104 HZ3 LYS 104 0.841 17.807 -13.173 242 H GLN 106 HN GLN 106 6.534 10.983 -13.232 243 HE21 GLN 106 HE21 GLN 106 9.007 11.708 -8.744 244 HE22 GLN 106 HE22 GLN 106 8.417 10.699 -7.469 245 H ASP 107 HN ASP 107 9.069 7.369 -13.468 246 H SER 108 HN SER 108 6.993 4.250 -15.829 247 HG SER 108 HG SER 108 4.503 3.449 -17.129 248 H GLY 109 HN GLY 109 5.315 1.559 -12.522 249 H SER 110 HN SER 110 6.666 -1.976 -11.171 250 HG SER 110 HG SER 110 7.468 -3.281 -10.285 251 H SER 111 HN SER 111 4.493 -2.320 -11.557 252 HG SER 111 HG SER 111 3.611 -5.475 -12.061 253 H ALA 112 HN ALA 112 0.205 -3.020 -11.860 254 H ASN 113 HN ASN 113 -0.571 1.458 -11.007 255 HD21 ASN 113 HD21 ASN 113 0.689 1.586 -5.728 256 HD22 ASN 113 HD22 ASN 113 -0.144 2.874 -4.932 257 H GLU 114 HN GLU 114 1.993 0.359 -9.486 258 H GLN 115 HN GLN 115 5.350 3.177 -8.215 259 HE21 GLN 115 HE21 GLN 115 4.183 8.194 -10.766 260 HE22 GLN 115 HE22 GLN 115 3.709 9.293 -9.518 261 H ALA 116 HN ALA 116 7.617 5.134 -11.542 262 H VAL 117 HN VAL 117 10.718 5.614 -8.929 263 H GLN 118 HN GLN 118 11.984 9.342 -11.111 264 HE21 GLN 118 HE21 GLN 118 13.494 6.835 -15.302 265 HE22 GLN 118 HE22 GLN 118 11.865 6.359 -14.972 266 H1 VAL 1 HN VAL 1 -2.835 -5.396 12.241 267 H LYS 2 HN LYS 2 -1.560 -1.287 12.875 268 HZ1 LYS 2 HZ1 LYS 2 -3.321 4.726 12.098 269 HZ2 LYS 2 HZ2 LYS 2 -4.053 4.792 13.623 270 HZ3 LYS 2 HZ3 LYS 2 -4.484 5.916 12.416 271 H LEU 3 HN LEU 3 -0.786 0.672 9.322 272 H ILE 4 HN ILE 4 2.211 3.820 10.691 273 H SER 5 HN SER 5 1.628 6.924 7.876 274 HG SER 5 HG SER 5 1.793 6.602 5.958 275 H SER 6 HN SER 6 5.597 9.027 7.296 276 HG SER 6 HG SER 6 7.389 9.684 6.943 277 H ASP 7 HN ASP 7 3.761 10.515 5.924 278 H GLY 8 HN GLY 8 1.894 11.035 7.691 279 H HIS 9 HN HIS 9 0.543 9.385 6.469 280 HD1 HIS 9 HD1 HIS 9 -2.310 5.994 3.857 281 H GLU 10 HN GLU 10 -3.179 7.000 6.443 282 H PHE 11 HN PHE 11 -1.561 3.025 7.802 283 H ILE 12 HN ILE 12 -4.266 0.488 5.927 284 H VAL 13 HN VAL 13 -2.944 -2.918 8.337 285 H LYS 14 HN LYS 14 -3.797 -6.358 5.596 286 HZ1 LYS 14 HZ1 LYS 14 -8.649 -12.980 4.170 287 HZ2 LYS 14 HZ2 LYS 14 -7.038 -12.755 3.686 288 HZ3 LYS 14 HZ3 LYS 14 -8.254 -11.721 3.109 289 H ARG 15 HN ARG 15 -5.330 -8.584 9.236 290 HE ARG 15 HE ARG 15 -3.209 -9.448 15.088 291 HH11 ARG 15 HH11 ARG 15 -4.817 -12.528 14.653 292 HH12 ARG 15 HH12 ARG 15 -4.184 -13.211 16.115 293 HH21 ARG 15 HH21 ARG 15 -2.350 -10.349 16.997 294 HH22 ARG 15 HH22 ARG 15 -2.766 -11.971 17.452 295 H GLU 16 HN GLU 16 -4.777 -11.055 7.976 296 H HIS 17 HN HIS 17 -2.527 -10.843 6.423 297 HE2 HIS 17 HE2 HIS 17 -3.706 -11.419 1.549 298 H ALA 18 HN ALA 18 -1.047 -9.939 7.889 299 H LEU 19 HN LEU 19 -0.366 -11.862 9.720 300 H THR 20 HN THR 20 1.445 -13.485 8.367 301 HG1 THR 20 HG1 THR 20 1.192 -14.174 5.841 302 H SER 21 HN SER 21 3.314 -11.756 8.039 303 HG SER 21 HG SER 21 3.150 -10.193 6.746 304 H GLY 22 HN GLY 22 4.294 -11.502 10.384 305 H THR 23 HN THR 23 5.902 -13.524 10.499 306 HG1 THR 23 HG1 THR 23 5.171 -15.386 11.245 307 H ILE 24 HN ILE 24 8.113 -12.981 9.582 308 H LYS 25 HN LYS 25 12.661 -12.707 9.941 309 HZ1 LYS 25 HZ1 LYS 25 19.171 -9.829 14.335 310 HZ2 LYS 25 HZ2 LYS 25 19.117 -9.995 12.654 311 HZ3 LYS 25 HZ3 LYS 25 18.931 -11.354 13.645 312 H ALA 26 HN ALA 26 11.274 -9.303 12.102 313 H MET 27 HN MET 27 11.728 -5.019 10.918 314 H LEU 28 HN LEU 28 11.180 -5.862 13.762 315 H SER 29 HN SER 29 12.490 -6.131 15.781 316 HG SER 29 HG SER 29 13.736 -8.479 16.175 317 H GLY 30 HN GLY 30 13.483 -3.966 16.082 318 H GLY 32 HN GLY 32 13.928 0.996 21.337 319 H GLN 33 HN GLN 33 11.647 0.131 22.973 320 HE21 GLN 33 HE21 GLN 33 7.608 -3.082 27.310 321 HE22 GLN 33 HE22 GLN 33 7.168 -1.742 28.312 322 H PHE 34 HN PHE 34 9.337 -3.392 22.301 323 H ALA 35 HN ALA 35 6.395 -1.317 22.673 324 H GLU 36 HN GLU 36 2.676 -3.751 23.867 325 H ASN 37 HN ASN 37 1.204 -1.452 23.064 326 HD21 ASN 37 HD21 ASN 37 0.247 2.843 20.941 327 HD22 ASN 37 HD22 ASN 37 -1.326 3.494 21.250 328 H GLU 38 HN GLU 38 2.759 -0.414 21.171 329 H THR 39 HN THR 39 2.331 -2.103 19.343 330 HG1 THR 39 HG1 THR 39 3.630 -3.547 19.094 331 H ASN 40 HN ASN 40 0.349 -1.388 18.221 332 HD21 ASN 40 HD21 ASN 40 -1.346 -2.810 19.694 333 HD22 ASN 40 HD22 ASN 40 -2.590 -4.012 19.697 334 H GLU 41 HN GLU 41 -0.307 0.846 17.522 335 H VAL 42 HN VAL 42 0.977 1.631 13.807 336 H ASN 43 HN ASN 43 4.078 4.202 15.074 337 HD21 ASN 43 HD21 ASN 43 2.864 8.500 12.994 338 HD22 ASN 43 HD22 ASN 43 4.078 9.731 12.981 339 H PHE 44 HN PHE 44 5.089 6.116 11.213 340 H ARG 45 HN ARG 45 9.473 7.111 11.643 341 HE ARG 45 HE ARG 45 7.057 9.317 15.371 342 HH11 ARG 45 HH11 ARG 45 10.277 10.084 16.535 343 HH12 ARG 45 HH12 ARG 45 9.713 10.785 18.020 344 HH21 ARG 45 HH21 ARG 45 6.315 10.216 17.347 345 HH22 ARG 45 HH22 ARG 45 7.458 10.846 18.489 346 H GLU 46 HN GLU 46 9.545 10.945 9.351 347 H ILE 47 HN ILE 47 9.238 8.812 7.812 348 H SER 49 HN SER 49 4.678 9.047 2.796 349 HG SER 49 HG SER 49 3.142 9.667 2.322 350 H HIS 50 HN HIS 50 4.824 8.048 0.285 351 HE2 HIS 50 HE2 HIS 50 3.355 7.685 -6.075 352 H VAL 51 HN VAL 51 7.294 6.427 -0.062 353 H LEU 52 HN LEU 52 6.605 4.708 1.759 354 H SER 53 HN SER 53 4.626 3.376 0.724 355 HG SER 53 HG SER 53 2.771 4.134 0.362 356 H LYS 54 HN LYS 54 5.725 1.736 -1.137 357 HZ1 LYS 54 HZ1 LYS 54 8.333 -1.716 -6.520 358 HZ2 LYS 54 HZ2 LYS 54 8.636 -2.542 -5.072 359 HZ3 LYS 54 HZ3 LYS 54 9.727 -2.666 -6.353 360 H VAL 55 HN VAL 55 6.964 0.062 0.432 361 H CYS 56 HN CYS 56 5.090 -1.225 1.782 362 HG CYS 56 HG CYS 56 4.171 -0.053 3.354 363 H MET 57 HN MET 57 3.922 -2.532 -0.281 364 H TYR 58 HN TYR 58 5.825 -4.221 -0.974 365 HH TYR 58 HH TYR 58 12.847 -8.986 -2.401 366 H PHE 59 HN PHE 59 5.980 -5.809 1.117 367 H THR 60 HN THR 60 3.566 -7.003 1.145 368 HG1 THR 60 HG1 THR 60 1.816 -6.116 1.266 369 H TYR 61 HN TYR 61 3.738 -8.382 -1.213 370 HH TYR 61 HH TYR 61 9.371 -12.493 -5.627 371 H LYS 62 HN LYS 62 5.814 -10.058 -0.598 372 HZ1 LYS 62 HZ1 LYS 62 12.630 -12.436 -2.383 373 HZ2 LYS 62 HZ2 LYS 62 11.863 -10.934 -2.245 374 HZ3 LYS 62 HZ3 LYS 62 11.161 -12.163 -3.181 375 H VAL 63 HN VAL 63 4.609 -11.592 1.261 376 H ARG 64 HN ARG 64 2.876 -13.184 -0.156 377 HE ARG 64 HE ARG 64 -2.341 -13.422 0.331 378 HH11 ARG 64 HH11 ARG 64 -2.281 -16.015 -2.012 379 HH12 ARG 64 HH12 ARG 64 -3.974 -15.895 -2.394 380 HH21 ARG 64 HH21 ARG 64 -4.577 -13.223 -0.181 381 HH22 ARG 64 HH22 ARG 64 -5.269 -14.286 -1.380 382 H TYR 65 HN TYR 65 4.338 -14.210 -1.848 383 HH TYR 65 HH TYR 65 10.786 -16.151 -7.135 384 H THR 66 HN THR 66 6.219 -15.823 -0.443 385 HG1 THR 66 HG1 THR 66 7.620 -15.162 0.829 386 H ASN 67 HN ASN 67 4.591 -18.030 -0.631 387 HD21 ASN 67 HD21 ASN 67 0.421 -19.834 0.814 388 HD22 ASN 67 HD22 ASN 67 0.084 -20.483 2.382 389 H SER 68 HN SER 68 2.190 -18.948 -1.294 390 HG SER 68 HG SER 68 0.214 -21.757 -0.372 391 H SER 69 HN SER 69 3.448 -18.879 -3.064 392 HG SER 69 HG SER 69 0.897 -17.350 -5.597 393 H THR 70 HN THR 70 4.830 -20.327 -4.612 394 HG1 THR 70 HG1 THR 70 6.563 -19.696 -2.890 395 H GLU 71 HN GLU 71 4.956 -20.270 -7.114 396 H ILE 72 HN ILE 72 5.768 -18.544 -8.591 397 H GLU 74 HN GLU 74 11.942 -14.789 -9.435 398 H PHE 75 HN PHE 75 10.730 -11.237 -6.759 399 H ILE 77 HN ILE 77 13.179 -7.765 -11.657 400 H ALA 78 HN ALA 78 11.915 -4.663 -11.902 401 H GLU 80 HN GLU 80 14.265 1.040 -11.161 402 H ILE 81 HN ILE 81 13.584 0.460 -7.616 403 H ALA 82 HN ALA 82 14.640 -0.236 -5.952 404 H LEU 83 HN LEU 83 16.665 0.374 -4.757 405 H GLU 84 HN GLU 84 16.242 2.465 -3.594 406 H LEU 85 HN LEU 85 15.027 1.813 -1.395 407 H LEU 86 HN LEU 86 16.749 0.814 -0.086 408 H MET 87 HN MET 87 17.820 2.819 1.027 409 H ALA 88 HN ALA 88 17.148 3.049 3.525 410 H ALA 89 HN ALA 89 18.593 1.647 5.041 411 H ASN 90 HN ASN 90 18.462 2.024 8.662 412 HD21 ASN 90 HD21 ASN 90 16.869 2.091 13.336 413 HD22 ASN 90 HD22 ASN 90 17.461 0.836 14.370 414 H PHE 91 HN PHE 91 17.141 -1.138 8.140 Start of MODEL 2 1 H1 GLY 6 HT1 GLY 6 19.397 -4.427 8.017 2 H2 GLY 6 HT2 GLY 6 18.964 -3.417 9.300 3 H3 GLY 6 HT3 GLY 6 17.960 -3.531 7.934 4 H SER 7 HN SER 7 15.434 -5.534 8.611 5 HG SER 7 HG SER 7 13.822 -8.046 9.425 6 H LEU 8 HN LEU 8 14.490 -4.729 6.397 7 H GLN 9 HN GLN 9 16.882 -4.362 5.462 8 HE21 GLN 9 HE21 GLN 9 23.062 -5.373 4.832 9 HE22 GLN 9 HE22 GLN 9 23.457 -5.527 6.510 10 H TYR 10 HN TYR 10 17.491 -6.637 4.054 11 HH TYR 10 HH TYR 10 18.821 -14.068 0.080 12 H LEU 11 HN LEU 11 15.960 -7.396 2.957 13 H ALA 12 HN ALA 12 15.647 -5.522 0.963 14 H LEU 13 HN LEU 13 17.635 -6.027 -0.541 15 H ALA 14 HN ALA 14 17.132 -8.281 -1.776 16 H ALA 15 HN ALA 15 15.661 -7.365 -3.512 17 H LEU 16 HN LEU 16 16.274 -6.002 -5.172 18 H ILE 17 HN ILE 17 18.456 -6.191 -8.348 19 H LYS 18 HN LYS 18 20.397 -3.137 -6.478 20 HZ1 LYS 18 HZ1 LYS 18 16.894 3.257 -8.005 21 HZ2 LYS 18 HZ2 LYS 18 17.794 4.644 -8.338 22 HZ3 LYS 18 HZ3 LYS 18 17.882 3.933 -6.807 23 H LYS 20 HN LYS 20 23.396 0.887 -7.854 24 HZ1 LYS 20 HZ1 LYS 20 21.888 5.479 -13.614 25 HZ2 LYS 20 HZ2 LYS 20 23.162 4.962 -12.633 26 HZ3 LYS 20 HZ3 LYS 20 21.975 5.992 -12.000 27 H GLN 21 HN GLN 21 25.185 5.004 -8.318 28 HE21 GLN 21 HE21 GLN 21 30.354 5.169 -6.758 29 HE22 GLN 21 HE22 GLN 21 30.476 5.149 -5.034 30 H ILE 22 HN ILE 22 26.514 6.017 -4.051 31 H LYS 23 HN LYS 23 23.064 8.187 -2.342 32 HZ1 LYS 23 HZ1 LYS 23 26.654 14.270 -2.191 33 HZ2 LYS 23 HZ2 LYS 23 26.862 15.699 -3.078 34 HZ3 LYS 23 HZ3 LYS 23 27.156 14.200 -3.812 35 H LEU 26 HN LEU 26 16.880 13.409 -2.358 36 H SER 28 HN SER 28 14.802 18.142 -2.404 37 HG SER 28 HG SER 28 15.542 18.892 -5.015 38 H VAL 29 HN VAL 29 13.184 16.162 -3.046 39 H ARG 30 HN ARG 30 11.682 12.721 -3.536 40 HE ARG 30 HE ARG 30 8.431 12.823 -0.105 41 HH11 ARG 30 HH11 ARG 30 5.706 10.684 -0.586 42 HH12 ARG 30 HH12 ARG 30 4.889 11.194 0.861 43 HH21 ARG 30 HH21 ARG 30 7.335 13.530 1.765 44 HH22 ARG 30 HH22 ARG 30 5.798 12.822 2.185 45 H LYS 31 HN LYS 31 14.117 11.887 -2.521 46 HZ1 LYS 31 HZ1 LYS 31 17.468 6.944 -6.228 47 HZ2 LYS 31 HZ2 LYS 31 17.892 8.589 -6.245 48 HZ3 LYS 31 HZ3 LYS 31 18.310 7.595 -7.548 49 H LEU 32 HN LEU 32 16.627 8.393 -3.011 50 H THR 33 HN THR 33 20.565 10.795 -3.205 51 HG1 THR 33 HG1 THR 33 20.665 12.999 -3.109 52 H GLU 34 HN GLU 34 21.938 11.211 -7.528 53 H ASP 35 HN ASP 35 25.630 9.567 -6.221 54 H ARG 36 HN ARG 36 27.338 10.848 -4.406 55 HE ARG 36 HE ARG 36 29.914 8.097 -2.185 56 HH11 ARG 36 HH11 ARG 36 32.460 5.801 -2.912 57 HH12 ARG 36 HH12 ARG 36 31.587 4.451 -2.260 58 HH21 ARG 36 HH21 ARG 36 28.781 6.346 -1.336 59 HH22 ARG 36 HH22 ARG 36 29.488 4.763 -1.357 60 H TRP 37 HN TRP 37 28.878 11.931 -2.960 61 HE1 TRP 37 HE1 TRP 37 28.572 10.737 4.317 62 H1 MET 1 HT1 MET 1 -8.870 -14.982 -9.214 63 H2 MET 1 HT2 MET 1 -8.599 -16.610 -9.604 64 H3 MET 1 HT3 MET 1 -7.518 -15.798 -8.593 65 H ASP 2 HN ASP 2 -7.151 -15.507 -6.651 66 H VAL 3 HN VAL 3 -8.731 -12.151 -4.032 67 H PHE 4 HN PHE 4 -6.436 -8.998 -5.515 68 H LEU 5 HN LEU 5 -7.291 -6.244 -2.259 69 H MET 6 HN MET 6 -7.342 -1.938 -3.425 70 H ILE 7 HN ILE 7 -8.272 -0.917 0.367 71 H ARG 8 HN ARG 8 -9.210 3.037 -1.148 72 HE ARG 8 HE ARG 8 -5.281 8.389 -0.452 73 HH11 ARG 8 HH11 ARG 8 -3.514 6.774 -3.015 74 HH12 ARG 8 HH12 ARG 8 -2.573 8.175 -3.418 75 HH21 ARG 8 HH21 ARG 8 -4.019 10.244 -0.976 76 HH22 ARG 8 HH22 ARG 8 -2.851 10.139 -2.253 77 H ARG 9 HN ARG 9 -8.938 5.124 2.450 78 HE ARG 9 HE ARG 9 -9.974 7.862 6.080 79 HH11 ARG 9 HH11 ARG 9 -12.812 9.869 5.614 80 HH12 ARG 9 HH12 ARG 9 -12.003 11.358 6.006 81 HH21 ARG 9 HH21 ARG 9 -8.896 9.812 6.616 82 HH22 ARG 9 HH22 ARG 9 -9.774 11.309 6.597 83 H HIS 10 HN HIS 10 -9.339 8.223 0.440 84 HE2 HIS 10 HE2 HIS 10 -5.924 14.211 0.641 85 H LYS 11 HN LYS 11 -7.343 9.526 3.697 86 HZ1 LYS 11 HZ1 LYS 11 -1.505 14.881 4.575 87 HZ2 LYS 11 HZ2 LYS 11 -1.011 13.431 5.292 88 HZ3 LYS 11 HZ3 LYS 11 -2.305 14.304 5.950 89 H THR 12 HN THR 12 -7.363 7.580 4.211 90 HG1 THR 12 HG1 THR 12 -7.715 7.186 7.257 91 H THR 13 HN THR 13 -4.839 4.320 4.421 92 HG1 THR 13 HG1 THR 13 -3.394 4.471 0.976 93 H ILE 14 HN ILE 14 -7.323 1.247 2.701 94 H PHE 15 HN PHE 15 -5.176 -2.322 3.992 95 H THR 16 HN THR 16 -6.999 -4.456 0.530 96 HG1 THR 16 HG1 THR 16 -8.786 -3.682 1.703 97 H ASP 17 HN ASP 17 -7.895 -8.260 2.286 98 H ALA 18 HN ALA 18 -9.059 -9.716 -1.278 99 H LYS 19 HN LYS 19 -12.591 -12.174 -1.922 100 HZ1 LYS 19 HZ1 LYS 19 -7.535 -14.558 -1.156 101 HZ2 LYS 19 HZ2 LYS 19 -7.843 -13.744 0.306 102 HZ3 LYS 19 HZ3 LYS 19 -8.576 -13.223 -1.129 103 H GLU 20 HN GLU 20 -11.994 -14.244 -5.829 104 H SER 21 HN SER 21 -14.489 -14.815 -5.088 105 HG SER 21 HG SER 21 -15.975 -16.889 -6.247 106 H SER 22 HN SER 22 -15.377 -12.863 -3.900 107 HG SER 22 HG SER 22 -15.053 -13.013 -1.044 108 H THR 23 HN THR 23 -18.851 -10.763 -1.812 109 HG1 THR 23 HG1 THR 23 -20.482 -10.454 -1.116 110 H VAL 24 HN VAL 24 -19.947 -7.042 -4.290 111 H PHE 25 HN PHE 25 -21.167 -6.104 -2.167 112 H GLU 26 HN GLU 26 -19.898 -7.372 -0.269 113 H LEU 27 HN LEU 27 -17.658 -6.131 0.097 114 H LYS 28 HN LYS 28 -18.282 -3.887 1.347 115 HZ1 LYS 28 HZ1 LYS 28 -22.434 -0.261 -1.407 116 HZ2 LYS 28 HZ2 LYS 28 -22.208 1.419 -1.347 117 HZ3 LYS 28 HZ3 LYS 28 -22.967 0.625 -0.063 118 H ARG 29 HN ARG 29 -18.903 -4.906 3.701 119 HE ARG 29 HE ARG 29 -22.458 -6.736 6.897 120 HH11 ARG 29 HH11 ARG 29 -21.696 -10.053 6.075 121 HH12 ARG 29 HH12 ARG 29 -22.421 -10.709 7.508 122 HH21 ARG 29 HH21 ARG 29 -23.399 -7.587 8.792 123 HH22 ARG 29 HH22 ARG 29 -23.377 -9.301 9.069 124 H ILE 30 HN ILE 30 -16.622 -5.614 4.695 125 H VAL 31 HN VAL 31 -15.206 -3.370 4.950 126 H GLU 32 HN GLU 32 -16.772 -2.278 6.751 127 H GLY 33 HN GLY 33 -16.097 -3.592 9.036 128 H ILE 34 HN ILE 34 -13.983 -2.361 9.643 129 H LEU 35 HN LEU 35 -13.542 -0.022 9.545 130 H LYS 36 HN LYS 36 -15.132 0.205 11.322 131 HZ1 LYS 36 HZ1 LYS 36 -12.719 0.651 18.174 132 HZ2 LYS 36 HZ2 LYS 36 -12.840 -0.981 18.591 133 HZ3 LYS 36 HZ3 LYS 36 -14.186 0.027 18.742 134 H ARG 37 HN ARG 37 -17.150 1.723 10.422 135 HE ARG 37 HE ARG 37 -14.431 6.062 11.225 136 HH11 ARG 37 HH11 ARG 37 -16.267 8.801 10.067 137 HH12 ARG 37 HH12 ARG 37 -15.146 9.973 10.680 138 HH21 ARG 37 HH21 ARG 37 -12.960 7.608 12.065 139 HH22 ARG 37 HH22 ARG 37 -13.266 9.298 11.824 140 H ASP 40 HN ASP 40 -23.767 1.749 5.825 141 H GLU 41 HN GLU 41 -23.105 4.166 5.103 142 H GLN 42 HN GLN 42 -21.572 3.633 3.217 143 HE21 GLN 42 HE21 GLN 42 -18.684 1.807 6.387 144 HE22 GLN 42 HE22 GLN 42 -17.935 0.275 6.105 145 H ARG 43 HN ARG 43 -18.424 5.228 0.378 146 HE ARG 43 HE ARG 43 -23.794 6.773 -2.541 147 HH11 ARG 43 HH11 ARG 43 -22.441 4.505 -0.241 148 HH12 ARG 43 HH12 ARG 43 -23.864 4.470 0.757 149 HH21 ARG 43 HH21 ARG 43 -25.687 6.686 -1.258 150 HH22 ARG 43 HH22 ARG 43 -25.719 5.693 0.162 151 H LEU 44 HN LEU 44 -18.765 2.567 -2.761 152 H TYR 45 HN TYR 45 -14.885 3.807 -4.383 153 HH TYR 45 HH TYR 45 -19.971 8.962 -5.384 154 H LYS 46 HN LYS 46 -15.071 2.501 -8.480 155 HZ1 LYS 46 HZ1 LYS 46 -12.633 -1.388 -12.891 156 HZ2 LYS 46 HZ2 LYS 46 -11.129 -2.108 -13.150 157 HZ3 LYS 46 HZ3 LYS 46 -11.219 -0.609 -12.368 158 H ASP 47 HN ASP 47 -11.098 2.994 -10.057 159 H ASP 48 HN ASP 48 -12.314 5.281 -10.340 160 H GLN 49 HN GLN 49 -14.779 4.415 -10.765 161 HE21 GLN 49 HE21 GLN 49 -16.894 6.527 -13.319 162 HE22 GLN 49 HE22 GLN 49 -18.283 6.823 -14.310 163 H LEU 50 HN LEU 50 -19.190 4.453 -10.306 164 H LEU 51 HN LEU 51 -18.530 1.487 -6.941 165 H ASP 52 HN ASP 52 -20.379 -2.467 -8.457 166 H ASP 53 HN ASP 53 -23.529 -2.067 -5.494 167 H GLY 54 HN GLY 54 -24.777 -4.386 -6.032 168 H LYS 55 HN LYS 55 -22.881 -6.069 -6.604 169 HZ1 LYS 55 HZ1 LYS 55 -23.645 -4.013 -12.302 170 HZ2 LYS 55 HZ2 LYS 55 -24.442 -4.853 -11.065 171 HZ3 LYS 55 HZ3 LYS 55 -25.053 -4.886 -12.645 172 H THR 56 HN THR 56 -20.668 -9.553 -8.365 173 HG1 THR 56 HG1 THR 56 -20.072 -11.201 -8.840 174 H LEU 57 HN LEU 57 -16.760 -9.863 -6.107 175 H GLY 58 HN GLY 58 -15.782 -10.914 -8.420 176 H GLU 59 HN GLU 59 -17.461 -9.782 -10.197 177 H CYS 60 HN CYS 60 -16.434 -7.588 -10.580 178 HG CYS 60 HG CYS 60 -18.135 -6.460 -8.743 179 H GLY 61 HN GLY 61 -15.011 -7.354 -12.512 180 H PHE 62 HN PHE 62 -13.312 -7.283 -10.772 181 H THR 63 HN THR 63 -9.191 -8.523 -11.113 182 HG1 THR 63 HG1 THR 63 -9.770 -9.049 -13.227 183 H SER 64 HN SER 64 -7.646 -12.641 -11.256 184 HG SER 64 HG SER 64 -6.738 -14.555 -11.538 185 H GLN 65 HN GLN 65 -6.381 -10.723 -12.650 186 HE21 GLN 65 HE21 GLN 65 -4.108 -12.844 -13.962 187 HE22 GLN 65 HE22 GLN 65 -2.651 -13.097 -14.860 188 H THR 66 HN THR 66 -6.518 -8.443 -12.540 189 HG1 THR 66 HG1 THR 66 -9.006 -6.732 -12.625 190 H ALA 67 HN ALA 67 -6.188 -8.212 -10.300 191 H ARG 68 HN ARG 68 -2.989 -7.008 -7.870 192 HE ARG 68 HE ARG 68 -1.823 -7.643 -12.624 193 HH11 ARG 68 HH11 ARG 68 1.573 -8.454 -12.773 194 HH12 ARG 68 HH12 ARG 68 1.682 -8.234 -14.492 195 HH21 ARG 68 HH21 ARG 68 -1.690 -7.379 -14.885 196 HH22 ARG 68 HH22 ARG 68 -0.177 -7.633 -15.696 197 H GLN 70 HN GLN 70 1.535 -8.261 -6.192 198 HE21 GLN 70 HE21 GLN 70 4.451 -6.043 -8.659 199 HE22 GLN 70 HE22 GLN 70 3.063 -6.295 -9.654 200 H ALA 71 HN ALA 71 0.017 -6.439 -6.126 201 H ALA 73 HN ALA 73 -5.869 -4.401 -6.304 202 H THR 74 HN THR 74 -5.949 -0.017 -7.131 203 HG1 THR 74 HG1 THR 74 -4.416 1.113 -6.338 204 H VAL 75 HN VAL 75 -8.707 1.090 -3.747 205 H GLY 76 HN GLY 76 -11.684 3.881 -5.175 206 H LEU 77 HN LEU 77 -11.777 5.451 -0.950 207 H ALA 78 HN ALA 78 -15.785 6.233 -1.156 208 H PHE 79 HN PHE 79 -16.042 8.962 2.242 209 H ARG 80 HN ARG 80 -20.297 8.264 2.831 210 HE ARG 80 HE ARG 80 -25.022 8.957 3.221 211 HH11 ARG 80 HH11 ARG 80 -26.364 9.358 0.008 212 HH12 ARG 80 HH12 ARG 80 -27.519 8.077 0.194 213 HH21 ARG 80 HH21 ARG 80 -26.533 7.253 3.469 214 HH22 ARG 80 HH22 ARG 80 -27.619 6.881 2.156 215 H ALA 81 HN ALA 81 -20.431 12.404 4.133 216 H ASP 82 HN ASP 82 -23.165 13.338 7.305 217 H ASP 83 HN ASP 83 -23.090 17.635 5.733 218 H THR 84 HN THR 84 -20.579 16.610 6.250 219 HG1 THR 84 HG1 THR 84 -19.245 16.160 8.146 220 H PHE 85 HN PHE 85 -17.344 18.847 4.872 221 H GLU 86 HN GLU 86 -15.708 17.008 4.163 222 H ALA 87 HN ALA 87 -16.620 14.918 2.616 223 H LEU 88 HN LEU 88 -16.576 15.849 0.074 224 H CYS 89 HN CYS 89 -14.252 15.732 -0.702 225 HG CYS 89 HG CYS 89 -13.094 18.509 -1.433 226 H ILE 90 HN ILE 90 -13.427 13.604 -0.754 227 H GLU 91 HN GLU 91 -14.600 12.364 -2.504 228 H PHE 93 HN PHE 93 -15.520 10.663 -7.315 229 H SER 94 HN SER 94 -15.662 13.183 -7.685 230 HG SER 94 HG SER 94 -15.785 15.421 -5.940 231 H SER 95 HN SER 95 -13.833 14.088 -7.270 232 HG SER 95 HG SER 95 -13.204 15.859 -4.984 233 H GLU 98 HN GLU 98 -6.055 11.159 -5.280 234 H LEU 99 HN LEU 99 -2.746 13.609 -6.508 235 H ASP 101 HN ASP 101 2.048 17.004 -6.391 236 H VAL 102 HN VAL 102 4.729 16.885 -6.320 237 H MET 103 HN MET 103 5.121 14.457 -7.046 238 H LYS 104 HN LYS 104 5.674 14.163 -9.621 239 HZ1 LYS 104 HZ1 LYS 104 2.089 18.167 -11.931 240 HZ2 LYS 104 HZ2 LYS 104 0.734 17.654 -12.811 241 HZ3 LYS 104 HZ3 LYS 104 2.010 18.429 -13.604 242 H GLN 106 HN GLN 106 6.720 10.699 -13.661 243 HE21 GLN 106 HE21 GLN 106 9.131 11.583 -8.805 244 HE22 GLN 106 HE22 GLN 106 8.417 10.647 -7.539 245 H ASP 107 HN ASP 107 9.599 7.370 -13.483 246 H SER 108 HN SER 108 7.350 4.279 -15.960 247 HG SER 108 HG SER 108 4.669 4.684 -16.592 248 H GLY 109 HN GLY 109 5.985 1.936 -12.391 249 H SER 110 HN SER 110 7.212 -2.082 -11.693 250 HG SER 110 HG SER 110 7.113 -3.767 -10.791 251 H SER 111 HN SER 111 5.289 -2.480 -10.751 252 HG SER 111 HG SER 111 5.523 -3.056 -8.834 253 H ALA 112 HN ALA 112 0.766 -3.127 -10.290 254 H ASN 113 HN ASN 113 0.312 1.064 -11.833 255 HD21 ASN 113 HD21 ASN 113 0.301 4.583 -7.950 256 HD22 ASN 113 HD22 ASN 113 -0.732 5.885 -8.432 257 H GLU 114 HN GLU 114 2.512 1.008 -10.559 258 H GLN 115 HN GLN 115 5.355 3.661 -8.310 259 HE21 GLN 115 HE21 GLN 115 4.202 8.560 -10.557 260 HE22 GLN 115 HE22 GLN 115 3.760 9.687 -9.324 261 H ALA 116 HN ALA 116 8.063 5.254 -11.509 262 H VAL 117 HN VAL 117 11.084 6.043 -8.798 263 H GLN 118 HN GLN 118 12.662 9.296 -11.458 264 HE21 GLN 118 HE21 GLN 118 14.115 6.132 -15.344 265 HE22 GLN 118 HE22 GLN 118 12.404 5.948 -15.189 266 H1 VAL 1 HN VAL 1 -3.086 -5.321 12.183 267 H LYS 2 HN LYS 2 -1.789 -1.110 12.918 268 HZ1 LYS 2 HZ1 LYS 2 -3.795 6.715 12.588 269 HZ2 LYS 2 HZ2 LYS 2 -4.661 5.442 13.284 270 HZ3 LYS 2 HZ3 LYS 2 -5.144 6.079 11.785 271 H LEU 3 HN LEU 3 -0.634 0.756 9.175 272 H ILE 4 HN ILE 4 2.174 3.665 10.963 273 H SER 5 HN SER 5 1.699 6.876 8.011 274 HG SER 5 HG SER 5 1.797 6.595 5.961 275 H SER 6 HN SER 6 5.713 8.896 7.416 276 HG SER 6 HG SER 6 7.015 9.590 9.106 277 H ASP 7 HN ASP 7 3.838 10.222 6.136 278 H GLY 8 HN GLY 8 1.974 10.717 7.525 279 H HIS 9 HN HIS 9 0.582 9.270 6.262 280 HD1 HIS 9 HD1 HIS 9 -2.449 6.399 2.919 281 H GLU 10 HN GLU 10 -3.221 6.853 6.182 282 H PHE 11 HN PHE 11 -1.377 3.178 7.671 283 H ILE 12 HN ILE 12 -4.095 0.437 5.866 284 H VAL 13 HN VAL 13 -2.844 -3.019 8.266 285 H LYS 14 HN LYS 14 -3.702 -6.446 5.497 286 HZ1 LYS 14 HZ1 LYS 14 -8.714 -12.845 3.881 287 HZ2 LYS 14 HZ2 LYS 14 -7.135 -13.262 4.315 288 HZ3 LYS 14 HZ3 LYS 14 -7.410 -12.228 2.996 289 H ARG 15 HN ARG 15 -5.404 -8.572 9.137 290 HE ARG 15 HE ARG 15 -3.784 -11.602 14.719 291 HH11 ARG 15 HH11 ARG 15 -7.243 -12.058 14.473 292 HH12 ARG 15 HH12 ARG 15 -7.361 -12.946 15.960 293 HH21 ARG 15 HH21 ARG 15 -3.934 -12.777 16.678 294 HH22 ARG 15 HH22 ARG 15 -5.482 -13.356 17.209 295 H GLU 16 HN GLU 16 -4.758 -11.072 8.142 296 H HIS 17 HN HIS 17 -2.583 -10.849 6.440 297 HE2 HIS 17 HE2 HIS 17 -3.653 -11.675 1.527 298 H ALA 18 HN ALA 18 -1.088 -9.826 7.922 299 H LEU 19 HN LEU 19 -0.282 -11.637 9.724 300 H THR 20 HN THR 20 1.442 -13.355 8.389 301 HG1 THR 20 HG1 THR 20 1.083 -14.986 6.205 302 H SER 21 HN SER 21 3.354 -11.588 7.734 303 HG SER 21 HG SER 21 3.080 -9.910 6.467 304 H GLY 22 HN GLY 22 4.338 -11.024 10.135 305 H THR 23 HN THR 23 5.829 -13.083 10.349 306 HG1 THR 23 HG1 THR 23 4.636 -14.721 10.812 307 H ILE 24 HN ILE 24 8.111 -12.921 9.598 308 H LYS 25 HN LYS 25 12.694 -13.104 9.873 309 HZ1 LYS 25 HZ1 LYS 25 19.817 -10.329 13.144 310 HZ2 LYS 25 HZ2 LYS 25 19.487 -11.297 11.797 311 HZ3 LYS 25 HZ3 LYS 25 19.316 -11.930 13.352 312 H ALA 26 HN ALA 26 11.445 -9.802 12.091 313 H MET 27 HN MET 27 11.735 -5.468 11.088 314 H LEU 28 HN LEU 28 11.469 -6.471 13.981 315 H SER 29 HN SER 29 13.022 -6.470 15.925 316 HG SER 29 HG SER 29 13.627 -8.809 18.210 317 H GLY 30 HN GLY 30 13.537 -4.086 16.189 318 H GLY 32 HN GLY 32 13.509 1.023 21.233 319 H GLN 33 HN GLN 33 11.524 -0.184 22.248 320 HE21 GLN 33 HE21 GLN 33 8.009 -3.473 27.133 321 HE22 GLN 33 HE22 GLN 33 7.897 -2.314 28.410 322 H PHE 34 HN PHE 34 9.044 -3.584 22.442 323 H ALA 35 HN ALA 35 6.231 -1.540 22.635 324 H GLU 36 HN GLU 36 2.306 -3.521 23.917 325 H ASN 37 HN ASN 37 1.507 -1.041 22.899 326 HD21 ASN 37 HD21 ASN 37 1.567 3.876 22.560 327 HD22 ASN 37 HD22 ASN 37 -0.047 4.498 22.582 328 H GLU 38 HN GLU 38 3.014 -0.497 20.824 329 H THR 39 HN THR 39 2.364 -2.285 19.339 330 HG1 THR 39 HG1 THR 39 3.464 -4.042 19.178 331 H ASN 40 HN ASN 40 0.185 -1.688 18.367 332 HD21 ASN 40 HD21 ASN 40 -3.019 -0.773 20.471 333 HD22 ASN 40 HD22 ASN 40 -3.712 -2.330 20.751 334 H GLU 41 HN GLU 41 -0.174 0.609 17.164 335 H VAL 42 HN VAL 42 1.442 1.188 13.475 336 H ASN 43 HN ASN 43 4.255 4.029 15.070 337 HD21 ASN 43 HD21 ASN 43 2.014 7.796 13.735 338 HD22 ASN 43 HD22 ASN 43 2.703 9.261 13.122 339 H PHE 44 HN PHE 44 5.073 5.642 11.138 340 H ARG 45 HN ARG 45 9.326 6.794 11.824 341 HE ARG 45 HE ARG 45 6.168 9.940 14.113 342 HH11 ARG 45 HH11 ARG 45 8.739 11.617 15.812 343 HH12 ARG 45 HH12 ARG 45 7.765 11.940 17.212 344 HH21 ARG 45 HH21 ARG 45 4.894 10.375 15.963 345 HH22 ARG 45 HH22 ARG 45 5.595 11.234 17.298 346 H GLU 46 HN GLU 46 9.547 10.678 9.586 347 H ILE 47 HN ILE 47 9.043 8.893 7.796 348 H SER 49 HN SER 49 4.732 8.987 2.653 349 HG SER 49 HG SER 49 3.164 9.574 1.839 350 H HIS 50 HN HIS 50 5.058 7.940 0.305 351 HE2 HIS 50 HE2 HIS 50 3.587 8.339 -5.793 352 H VAL 51 HN VAL 51 7.493 6.252 0.089 353 H LEU 52 HN LEU 52 6.681 4.577 1.909 354 H SER 53 HN SER 53 4.609 3.316 0.848 355 HG SER 53 HG SER 53 2.691 4.155 0.356 356 H LYS 54 HN LYS 54 5.745 1.693 -0.986 357 HZ1 LYS 54 HZ1 LYS 54 8.453 -1.398 -6.637 358 HZ2 LYS 54 HZ2 LYS 54 8.441 -2.288 -5.198 359 HZ3 LYS 54 HZ3 LYS 54 9.680 -2.525 -6.320 360 H VAL 55 HN VAL 55 6.967 -0.039 0.563 361 H CYS 56 HN CYS 56 5.032 -1.298 1.847 362 HG CYS 56 HG CYS 56 4.039 -0.022 3.374 363 H MET 57 HN MET 57 3.800 -2.603 -0.221 364 H TYR 58 HN TYR 58 5.708 -4.260 -0.832 365 HH TYR 58 HH TYR 58 13.036 -8.716 -1.629 366 H PHE 59 HN PHE 59 5.855 -5.904 1.236 367 H THR 60 HN THR 60 3.509 -7.182 1.085 368 HG1 THR 60 HG1 THR 60 1.820 -6.413 1.258 369 H TYR 61 HN TYR 61 3.942 -8.522 -1.180 370 HH TYR 61 HH TYR 61 7.270 -12.652 -7.924 371 H LYS 62 HN LYS 62 5.874 -10.197 -0.453 372 HZ1 LYS 62 HZ1 LYS 62 12.700 -12.416 -1.880 373 HZ2 LYS 62 HZ2 LYS 62 12.102 -10.865 -1.550 374 HZ3 LYS 62 HZ3 LYS 62 11.277 -11.885 -2.626 375 H VAL 63 HN VAL 63 4.554 -11.746 1.287 376 H ARG 64 HN ARG 64 2.753 -13.189 -0.233 377 HE ARG 64 HE ARG 64 -2.355 -13.569 0.039 378 HH11 ARG 64 HH11 ARG 64 -2.393 -16.222 -2.242 379 HH12 ARG 64 HH12 ARG 64 -4.117 -16.178 -2.465 380 HH21 ARG 64 HH21 ARG 64 -4.631 -13.511 -0.236 381 HH22 ARG 64 HH22 ARG 64 -5.378 -14.656 -1.324 382 H TYR 65 HN TYR 65 4.391 -14.300 -1.811 383 HH TYR 65 HH TYR 65 11.533 -17.698 -4.958 384 H THR 66 HN THR 66 6.107 -16.037 -0.344 385 HG1 THR 66 HG1 THR 66 7.570 -15.522 0.945 386 H ASN 67 HN ASN 67 4.518 -18.757 -1.002 387 HD21 ASN 67 HD21 ASN 67 -0.039 -19.329 0.481 388 HD22 ASN 67 HD22 ASN 67 -0.600 -20.043 1.953 389 H SER 68 HN SER 68 2.446 -18.719 -1.745 390 HG SER 68 HG SER 68 -0.708 -20.571 -1.233 391 H SER 69 HN SER 69 2.455 -17.951 -3.494 392 HG SER 69 HG SER 69 1.152 -16.481 -6.297 393 H THR 70 HN THR 70 4.270 -20.253 -5.286 394 HG1 THR 70 HG1 THR 70 5.802 -20.048 -3.024 395 H GLU 71 HN GLU 71 4.853 -20.147 -7.491 396 H ILE 72 HN ILE 72 5.589 -18.496 -8.699 397 H GLU 74 HN GLU 74 11.858 -14.555 -8.841 398 H PHE 75 HN PHE 75 10.805 -10.913 -6.239 399 H ILE 77 HN ILE 77 13.419 -7.940 -11.738 400 H ALA 78 HN ALA 78 12.440 -4.662 -11.479 401 H GLU 80 HN GLU 80 13.644 1.174 -10.905 402 H ILE 81 HN ILE 81 13.565 0.389 -7.348 403 H ALA 82 HN ALA 82 14.566 -0.340 -5.879 404 H LEU 83 HN LEU 83 16.859 0.418 -4.890 405 H GLU 84 HN GLU 84 16.371 2.553 -3.747 406 H LEU 85 HN LEU 85 15.079 1.739 -1.648 407 H LEU 86 HN LEU 86 16.817 0.657 -0.350 408 H MET 87 HN MET 87 17.901 2.690 0.784 409 H ALA 88 HN ALA 88 17.056 2.787 3.318 410 H ALA 89 HN ALA 89 18.582 1.426 4.910 411 H ASN 90 HN ASN 90 18.693 1.947 8.652 412 HD21 ASN 90 HD21 ASN 90 17.279 2.313 13.275 413 HD22 ASN 90 HD22 ASN 90 17.501 0.976 14.352 414 H PHE 91 HN PHE 91 17.356 -1.193 8.189 Start of MODEL 3 1 H1 GLY 6 HT1 GLY 6 19.335 -4.258 7.859 2 H2 GLY 6 HT2 GLY 6 18.908 -3.319 9.202 3 H3 GLY 6 HT3 GLY 6 17.853 -3.431 7.877 4 H SER 7 HN SER 7 15.410 -5.472 8.815 5 HG SER 7 HG SER 7 13.635 -4.883 8.250 6 H LEU 8 HN LEU 8 14.314 -4.547 6.336 7 H GLN 9 HN GLN 9 16.760 -4.214 5.489 8 HE21 GLN 9 HE21 GLN 9 23.000 -5.245 5.004 9 HE22 GLN 9 HE22 GLN 9 23.272 -5.583 6.677 10 H TYR 10 HN TYR 10 17.555 -6.562 4.161 11 HH TYR 10 HH TYR 10 20.635 -13.238 -0.354 12 H LEU 11 HN LEU 11 16.002 -7.346 3.078 13 H ALA 12 HN ALA 12 15.415 -5.443 1.098 14 H LEU 13 HN LEU 13 17.445 -5.766 -0.317 15 H ALA 14 HN ALA 14 17.182 -8.023 -1.565 16 H ALA 15 HN ALA 15 15.602 -7.294 -3.172 17 H LEU 16 HN LEU 16 16.244 -5.998 -5.027 18 H ILE 17 HN ILE 17 18.262 -6.249 -8.351 19 H LYS 18 HN LYS 18 20.397 -3.149 -6.608 20 HZ1 LYS 18 HZ1 LYS 18 16.975 3.579 -8.162 21 HZ2 LYS 18 HZ2 LYS 18 18.046 4.864 -7.917 22 HZ3 LYS 18 HZ3 LYS 18 17.703 3.799 -6.650 23 H LYS 20 HN LYS 20 24.025 0.955 -7.172 24 HZ1 LYS 20 HZ1 LYS 20 22.051 5.545 -13.265 25 HZ2 LYS 20 HZ2 LYS 20 23.249 4.470 -12.759 26 HZ3 LYS 20 HZ3 LYS 20 22.706 5.683 -11.706 27 H GLN 21 HN GLN 21 24.830 5.145 -8.002 28 HE21 GLN 21 HE21 GLN 21 29.992 5.091 -7.677 29 HE22 GLN 21 HE22 GLN 21 30.569 4.976 -6.053 30 H ILE 22 HN ILE 22 26.331 6.510 -3.941 31 H LYS 23 HN LYS 23 22.988 8.643 -1.867 32 HZ1 LYS 23 HZ1 LYS 23 26.743 14.001 -1.740 33 HZ2 LYS 23 HZ2 LYS 23 27.366 15.431 -2.398 34 HZ3 LYS 23 HZ3 LYS 23 27.435 13.992 -3.293 35 H LEU 26 HN LEU 26 17.021 13.381 -2.748 36 H SER 28 HN SER 28 14.454 18.175 -2.304 37 HG SER 28 HG SER 28 14.097 20.714 -2.998 38 H VAL 29 HN VAL 29 12.964 16.224 -2.559 39 H ARG 30 HN ARG 30 11.636 12.620 -3.508 40 HE ARG 30 HE ARG 30 8.306 12.843 -0.318 41 HH11 ARG 30 HH11 ARG 30 5.651 10.591 -0.621 42 HH12 ARG 30 HH12 ARG 30 4.934 11.038 0.901 43 HH21 ARG 30 HH21 ARG 30 7.326 13.486 1.633 44 HH22 ARG 30 HH22 ARG 30 5.863 12.704 2.175 45 H LYS 31 HN LYS 31 13.890 11.844 -2.719 46 HZ1 LYS 31 HZ1 LYS 31 17.409 7.131 -6.552 47 HZ2 LYS 31 HZ2 LYS 31 17.613 8.818 -6.570 48 HZ3 LYS 31 HZ3 LYS 31 18.102 7.896 -7.901 49 H LEU 32 HN LEU 32 16.565 8.456 -3.089 50 H THR 33 HN THR 33 20.362 11.054 -3.312 51 HG1 THR 33 HG1 THR 33 20.536 13.341 -3.297 52 H GLU 34 HN GLU 34 22.031 11.402 -7.522 53 H ASP 35 HN ASP 35 25.741 9.682 -6.229 54 H ARG 36 HN ARG 36 27.308 10.466 -4.497 55 HE ARG 36 HE ARG 36 29.953 7.177 -3.286 56 HH11 ARG 36 HH11 ARG 36 33.294 6.141 -3.095 57 HH12 ARG 36 HH12 ARG 36 32.892 4.459 -2.988 58 HH21 ARG 36 HH21 ARG 36 29.424 4.968 -3.106 59 HH22 ARG 36 HH22 ARG 36 30.692 3.790 -2.964 60 H TRP 37 HN TRP 37 28.772 11.353 -2.820 61 HE1 TRP 37 HE1 TRP 37 26.499 7.602 2.809 62 H1 MET 1 HT1 MET 1 -8.752 -16.609 -9.927 63 H2 MET 1 HT2 MET 1 -7.665 -15.747 -8.961 64 H3 MET 1 HT3 MET 1 -9.007 -14.961 -9.634 65 H ASP 2 HN ASP 2 -7.192 -15.669 -7.031 66 H VAL 3 HN VAL 3 -8.343 -12.324 -4.132 67 H PHE 4 HN PHE 4 -6.394 -8.897 -5.654 68 H LEU 5 HN LEU 5 -7.142 -6.323 -2.332 69 H MET 6 HN MET 6 -7.290 -1.991 -3.388 70 H ILE 7 HN ILE 7 -8.320 -0.981 0.379 71 H ARG 8 HN ARG 8 -9.013 2.935 -1.180 72 HE ARG 8 HE ARG 8 -5.234 8.306 -0.316 73 HH11 ARG 8 HH11 ARG 8 -3.330 6.813 -2.853 74 HH12 ARG 8 HH12 ARG 8 -2.406 8.246 -3.168 75 HH21 ARG 8 HH21 ARG 8 -4.009 10.196 -0.733 76 HH22 ARG 8 HH22 ARG 8 -2.785 10.163 -1.958 77 H ARG 9 HN ARG 9 -8.895 4.961 2.478 78 HE ARG 9 HE ARG 9 -10.002 7.571 6.246 79 HH11 ARG 9 HH11 ARG 9 -12.644 9.748 5.489 80 HH12 ARG 9 HH12 ARG 9 -11.771 11.187 5.919 81 HH21 ARG 9 HH21 ARG 9 -8.854 9.446 6.850 82 HH22 ARG 9 HH22 ARG 9 -9.609 11.004 6.715 83 H HIS 10 HN HIS 10 -9.201 7.997 0.455 84 HE2 HIS 10 HE2 HIS 10 -6.036 14.181 0.631 85 H LYS 11 HN LYS 11 -7.388 9.494 3.716 86 HZ1 LYS 11 HZ1 LYS 11 -1.313 14.107 2.634 87 HZ2 LYS 11 HZ2 LYS 11 -1.122 12.449 2.383 88 HZ3 LYS 11 HZ3 LYS 11 -0.961 13.090 3.940 89 H THR 12 HN THR 12 -7.315 7.567 4.342 90 HG1 THR 12 HG1 THR 12 -7.558 7.167 7.448 91 H THR 13 HN THR 13 -4.772 4.274 4.421 92 HG1 THR 13 HG1 THR 13 -3.135 4.433 1.244 93 H ILE 14 HN ILE 14 -7.361 1.244 2.675 94 H PHE 15 HN PHE 15 -5.236 -2.320 3.990 95 H THR 16 HN THR 16 -6.977 -4.500 0.502 96 HG1 THR 16 HG1 THR 16 -8.800 -3.731 1.661 97 H ASP 17 HN ASP 17 -8.005 -8.335 2.187 98 H ALA 18 HN ALA 18 -9.044 -9.857 -1.420 99 H LYS 19 HN LYS 19 -12.597 -12.275 -2.061 100 HZ1 LYS 19 HZ1 LYS 19 -7.497 -14.521 -1.564 101 HZ2 LYS 19 HZ2 LYS 19 -7.863 -13.911 -0.022 102 HZ3 LYS 19 HZ3 LYS 19 -8.732 -13.376 -1.372 103 H GLU 20 HN GLU 20 -11.912 -14.178 -6.028 104 H SER 21 HN SER 21 -14.475 -14.764 -5.355 105 HG SER 21 HG SER 21 -16.275 -16.855 -6.835 106 H SER 22 HN SER 22 -15.445 -12.875 -4.136 107 HG SER 22 HG SER 22 -15.409 -13.306 -1.447 108 H THR 23 HN THR 23 -18.963 -10.794 -2.025 109 HG1 THR 23 HG1 THR 23 -20.693 -10.470 -1.400 110 H VAL 24 HN VAL 24 -19.974 -6.974 -4.326 111 H PHE 25 HN PHE 25 -21.196 -6.053 -2.113 112 H GLU 26 HN GLU 26 -19.934 -7.450 -0.212 113 H LEU 27 HN LEU 27 -17.597 -6.272 0.207 114 H LYS 28 HN LYS 28 -18.214 -4.011 1.460 115 HZ1 LYS 28 HZ1 LYS 28 -22.100 -0.501 -1.429 116 HZ2 LYS 28 HZ2 LYS 28 -21.424 0.906 -2.087 117 HZ3 LYS 28 HZ3 LYS 28 -22.204 0.970 -0.590 118 H ARG 29 HN ARG 29 -18.983 -4.979 3.766 119 HE ARG 29 HE ARG 29 -22.852 -6.145 7.080 120 HH11 ARG 29 HH11 ARG 29 -22.314 -9.603 6.887 121 HH12 ARG 29 HH12 ARG 29 -22.994 -9.914 8.451 122 HH21 ARG 29 HH21 ARG 29 -23.725 -6.554 9.132 123 HH22 ARG 29 HH22 ARG 29 -23.801 -8.183 9.730 124 H ILE 30 HN ILE 30 -16.762 -5.580 4.866 125 H VAL 31 HN VAL 31 -15.367 -3.498 5.152 126 H GLU 32 HN GLU 32 -16.907 -2.409 7.017 127 H GLY 33 HN GLY 33 -16.010 -3.505 9.351 128 H ILE 34 HN ILE 34 -14.096 -1.931 9.828 129 H LEU 35 HN LEU 35 -13.706 0.253 9.551 130 H LYS 36 HN LYS 36 -14.997 0.486 11.501 131 HZ1 LYS 36 HZ1 LYS 36 -11.650 2.334 17.031 132 HZ2 LYS 36 HZ2 LYS 36 -10.912 0.848 17.348 133 HZ3 LYS 36 HZ3 LYS 36 -12.314 1.287 18.177 134 H ARG 37 HN ARG 37 -17.395 1.597 10.590 135 HE ARG 37 HE ARG 37 -14.971 5.463 11.518 136 HH11 ARG 37 HH11 ARG 37 -16.453 8.579 10.897 137 HH12 ARG 37 HH12 ARG 37 -15.462 9.417 12.049 138 HH21 ARG 37 HH21 ARG 37 -13.666 6.577 13.029 139 HH22 ARG 37 HH22 ARG 37 -13.880 8.283 13.252 140 H ASP 40 HN ASP 40 -23.706 1.439 5.827 141 H GLU 41 HN GLU 41 -22.904 3.839 5.150 142 H GLN 42 HN GLN 42 -21.540 3.456 3.232 143 HE21 GLN 42 HE21 GLN 42 -18.688 1.726 6.511 144 HE22 GLN 42 HE22 GLN 42 -17.905 0.208 6.247 145 H ARG 43 HN ARG 43 -18.461 5.108 0.385 146 HE ARG 43 HE ARG 43 -23.915 6.040 -2.634 147 HH11 ARG 43 HH11 ARG 43 -22.571 4.108 -0.037 148 HH12 ARG 43 HH12 ARG 43 -24.035 4.122 0.902 149 HH21 ARG 43 HH21 ARG 43 -25.843 6.033 -1.424 150 HH22 ARG 43 HH22 ARG 43 -25.903 5.213 0.103 151 H LEU 44 HN LEU 44 -18.747 2.425 -2.842 152 H TYR 45 HN TYR 45 -14.808 3.650 -4.442 153 HH TYR 45 HH TYR 45 -19.573 9.306 -5.161 154 H LYS 46 HN LYS 46 -15.136 2.521 -8.558 155 HZ1 LYS 46 HZ1 LYS 46 -13.390 -2.428 -12.307 156 HZ2 LYS 46 HZ2 LYS 46 -11.930 -2.983 -12.944 157 HZ3 LYS 46 HZ3 LYS 46 -12.119 -1.339 -12.589 158 H ASP 47 HN ASP 47 -11.182 2.614 -10.369 159 H ASP 48 HN ASP 48 -12.363 5.015 -10.645 160 H GLN 49 HN GLN 49 -14.844 4.280 -11.082 161 HE21 GLN 49 HE21 GLN 49 -17.381 6.538 -13.651 162 HE22 GLN 49 HE22 GLN 49 -18.944 6.692 -14.382 163 H LEU 50 HN LEU 50 -19.290 4.256 -10.624 164 H LEU 51 HN LEU 51 -18.720 1.557 -7.035 165 H ASP 52 HN ASP 52 -20.526 -2.407 -8.533 166 H ASP 53 HN ASP 53 -23.712 -2.090 -5.534 167 H GLY 54 HN GLY 54 -24.817 -4.466 -6.082 168 H LYS 55 HN LYS 55 -22.884 -6.015 -6.689 169 HZ1 LYS 55 HZ1 LYS 55 -23.437 -3.620 -12.174 170 HZ2 LYS 55 HZ2 LYS 55 -24.341 -4.697 -11.230 171 HZ3 LYS 55 HZ3 LYS 55 -24.702 -4.495 -12.876 172 H THR 56 HN THR 56 -20.627 -9.370 -8.686 173 HG1 THR 56 HG1 THR 56 -19.985 -11.026 -9.317 174 H LEU 57 HN LEU 57 -16.817 -9.929 -6.302 175 H GLY 58 HN GLY 58 -15.832 -10.887 -8.616 176 H GLU 59 HN GLU 59 -17.465 -9.800 -10.549 177 H CYS 60 HN CYS 60 -16.677 -7.483 -10.500 178 HG CYS 60 HG CYS 60 -18.250 -6.479 -8.623 179 H GLY 61 HN GLY 61 -14.905 -7.194 -12.319 180 H PHE 62 HN PHE 62 -13.251 -7.386 -10.607 181 H THR 63 HN THR 63 -9.894 -8.238 -11.757 182 HG1 THR 63 HG1 THR 63 -9.031 -9.316 -14.696 183 H SER 64 HN SER 64 -7.938 -12.333 -11.306 184 HG SER 64 HG SER 64 -6.796 -13.216 -8.734 185 H GLN 65 HN GLN 65 -6.508 -10.707 -12.856 186 HE21 GLN 65 HE21 GLN 65 -3.041 -12.066 -15.356 187 HE22 GLN 65 HE22 GLN 65 -2.149 -11.608 -16.764 188 H THR 66 HN THR 66 -6.323 -8.203 -12.755 189 HG1 THR 66 HG1 THR 66 -8.241 -6.402 -13.196 190 H ALA 67 HN ALA 67 -6.128 -8.010 -10.436 191 H ARG 68 HN ARG 68 -2.732 -7.261 -8.137 192 HE ARG 68 HE ARG 68 -1.624 -8.399 -12.124 193 HH11 ARG 68 HH11 ARG 68 1.843 -7.899 -12.252 194 HH12 ARG 68 HH12 ARG 68 1.734 -6.521 -13.295 195 HH21 ARG 68 HH21 ARG 68 -1.768 -6.610 -13.512 196 HH22 ARG 68 HH22 ARG 68 -0.325 -5.783 -14.014 197 H GLN 70 HN GLN 70 1.235 -8.646 -6.451 198 HE21 GLN 70 HE21 GLN 70 5.174 -7.022 -8.972 199 HE22 GLN 70 HE22 GLN 70 4.017 -6.399 -10.090 200 H ALA 71 HN ALA 71 0.061 -6.827 -6.271 201 H ALA 73 HN ALA 73 -5.747 -4.494 -6.189 202 H THR 74 HN THR 74 -5.691 -0.161 -7.144 203 HG1 THR 74 HG1 THR 74 -4.225 2.408 -7.121 204 H VAL 75 HN VAL 75 -8.457 1.044 -3.805 205 H GLY 76 HN GLY 76 -11.735 3.615 -5.162 206 H LEU 77 HN LEU 77 -11.891 5.544 -1.047 207 H ALA 78 HN ALA 78 -15.870 6.167 -1.166 208 H PHE 79 HN PHE 79 -16.251 9.057 2.189 209 H ARG 80 HN ARG 80 -20.434 8.199 3.187 210 HE ARG 80 HE ARG 80 -25.174 8.744 3.686 211 HH11 ARG 80 HH11 ARG 80 -26.329 9.246 0.414 212 HH12 ARG 80 HH12 ARG 80 -27.343 7.837 0.416 213 HH21 ARG 80 HH21 ARG 80 -26.486 6.870 3.687 214 HH22 ARG 80 HH22 ARG 80 -27.425 6.483 2.270 215 H ALA 81 HN ALA 81 -20.555 12.439 4.285 216 H ASP 82 HN ASP 82 -22.514 13.539 8.034 217 H ASP 83 HN ASP 83 -22.997 17.877 6.628 218 H THR 84 HN THR 84 -20.508 17.115 6.117 219 HG1 THR 84 HG1 THR 84 -19.378 16.166 8.105 220 H PHE 85 HN PHE 85 -17.207 18.829 4.500 221 H GLU 86 HN GLU 86 -15.962 16.749 3.993 222 H ALA 87 HN ALA 87 -16.668 14.724 2.461 223 H LEU 88 HN LEU 88 -16.471 15.550 -0.080 224 H CYS 89 HN CYS 89 -14.038 15.433 -0.635 225 HG CYS 89 HG CYS 89 -12.039 18.271 -1.257 226 H ILE 90 HN ILE 90 -13.411 13.143 -0.860 227 H GLU 91 HN GLU 91 -14.090 12.441 -2.941 228 H PHE 93 HN PHE 93 -15.131 10.441 -7.638 229 H SER 94 HN SER 94 -15.692 12.888 -7.769 230 HG SER 94 HG SER 94 -17.420 13.831 -6.358 231 H SER 95 HN SER 95 -13.985 14.197 -7.162 232 HG SER 95 HG SER 95 -13.638 16.009 -4.977 233 H GLU 98 HN GLU 98 -6.103 11.558 -4.925 234 H LEU 99 HN LEU 99 -2.910 13.860 -6.401 235 H ASP 101 HN ASP 101 2.437 17.268 -6.582 236 H VAL 102 HN VAL 102 5.039 16.804 -6.559 237 H MET 103 HN MET 103 5.087 14.309 -7.030 238 H LYS 104 HN LYS 104 5.985 13.213 -9.921 239 HZ1 LYS 104 HZ1 LYS 104 0.598 17.033 -11.767 240 HZ2 LYS 104 HZ2 LYS 104 1.137 17.651 -13.245 241 HZ3 LYS 104 HZ3 LYS 104 1.962 18.041 -11.815 242 H GLN 106 HN GLN 106 6.542 10.602 -13.148 243 HE21 GLN 106 HE21 GLN 106 9.423 11.384 -8.607 244 HE22 GLN 106 HE22 GLN 106 8.384 10.674 -7.424 245 H ASP 107 HN ASP 107 9.569 7.409 -13.829 246 H SER 108 HN SER 108 7.213 4.160 -15.963 247 HG SER 108 HG SER 108 5.132 4.726 -15.949 248 H GLY 109 HN GLY 109 6.027 1.802 -12.309 249 H SER 110 HN SER 110 6.931 -1.886 -11.222 250 HG SER 110 HG SER 110 6.969 -3.443 -10.261 251 H SER 111 HN SER 111 5.114 -2.647 -10.355 252 HG SER 111 HG SER 111 3.723 -4.438 -7.541 253 H ALA 112 HN ALA 112 0.530 -2.934 -10.366 254 H ASN 113 HN ASN 113 0.045 1.436 -11.583 255 HD21 ASN 113 HD21 ASN 113 0.405 4.704 -8.493 256 HD22 ASN 113 HD22 ASN 113 -0.869 5.806 -8.100 257 H GLU 114 HN GLU 114 2.211 1.003 -10.093 258 H GLN 115 HN GLN 115 4.957 3.893 -8.210 259 HE21 GLN 115 HE21 GLN 115 4.096 8.805 -10.508 260 HE22 GLN 115 HE22 GLN 115 3.589 9.814 -9.195 261 H ALA 116 HN ALA 116 7.803 5.074 -11.502 262 H VAL 117 HN VAL 117 10.889 5.966 -8.872 263 H GLN 118 HN GLN 118 12.763 8.926 -11.700 264 HE21 GLN 118 HE21 GLN 118 13.239 4.879 -14.104 265 HE22 GLN 118 HE22 GLN 118 11.572 5.267 -13.881 266 H1 VAL 1 HN VAL 1 -2.640 -5.578 11.893 267 H LYS 2 HN LYS 2 -1.756 -1.260 12.887 268 HZ1 LYS 2 HZ1 LYS 2 -4.300 5.645 13.554 269 HZ2 LYS 2 HZ2 LYS 2 -5.756 5.034 12.954 270 HZ3 LYS 2 HZ3 LYS 2 -5.063 6.404 12.235 271 H LEU 3 HN LEU 3 -0.643 0.700 9.204 272 H ILE 4 HN ILE 4 2.026 3.719 11.038 273 H SER 5 HN SER 5 1.761 6.692 7.930 274 HG SER 5 HG SER 5 2.132 6.287 5.927 275 H SER 6 HN SER 6 5.728 8.958 7.751 276 HG SER 6 HG SER 6 7.463 10.444 6.766 277 H ASP 7 HN ASP 7 3.802 10.181 6.285 278 H GLY 8 HN GLY 8 1.883 10.973 7.645 279 H HIS 9 HN HIS 9 0.586 9.245 6.486 280 HD1 HIS 9 HD1 HIS 9 -2.481 6.331 3.337 281 H GLU 10 HN GLU 10 -3.193 6.911 6.267 282 H PHE 11 HN PHE 11 -1.368 3.237 7.678 283 H ILE 12 HN ILE 12 -4.159 0.507 5.867 284 H VAL 13 HN VAL 13 -2.793 -2.878 8.156 285 H LYS 14 HN LYS 14 -3.811 -6.291 5.397 286 HZ1 LYS 14 HZ1 LYS 14 -8.607 -12.979 4.116 287 HZ2 LYS 14 HZ2 LYS 14 -6.945 -12.896 3.784 288 HZ3 LYS 14 HZ3 LYS 14 -8.027 -11.857 2.990 289 H ARG 15 HN ARG 15 -5.347 -8.443 9.093 290 HE ARG 15 HE ARG 15 -3.019 -9.926 15.015 291 HH11 ARG 15 HH11 ARG 15 -5.855 -11.935 14.649 292 HH12 ARG 15 HH12 ARG 15 -5.565 -12.832 16.106 293 HH21 ARG 15 HH21 ARG 15 -2.613 -11.113 16.913 294 HH22 ARG 15 HH22 ARG 15 -3.709 -12.370 17.394 295 H GLU 16 HN GLU 16 -4.704 -10.936 8.089 296 H HIS 17 HN HIS 17 -2.561 -10.872 6.227 297 HE2 HIS 17 HE2 HIS 17 -3.531 -11.616 1.410 298 H ALA 18 HN ALA 18 -1.074 -9.867 7.874 299 H LEU 19 HN LEU 19 -0.279 -11.743 9.529 300 H THR 20 HN THR 20 1.546 -13.351 8.294 301 HG1 THR 20 HG1 THR 20 1.630 -15.396 7.258 302 H SER 21 HN SER 21 3.317 -11.528 7.971 303 HG SER 21 HG SER 21 3.151 -9.990 6.562 304 H GLY 22 HN GLY 22 4.368 -11.654 10.283 305 H THR 23 HN THR 23 6.025 -13.245 10.364 306 HG1 THR 23 HG1 THR 23 5.306 -15.002 11.264 307 H ILE 24 HN ILE 24 8.007 -12.748 9.365 308 H LYS 25 HN LYS 25 12.602 -12.574 9.236 309 HZ1 LYS 25 HZ1 LYS 25 19.559 -11.104 11.078 310 HZ2 LYS 25 HZ2 LYS 25 19.344 -12.125 12.411 311 HZ3 LYS 25 HZ3 LYS 25 19.912 -10.545 12.633 312 H ALA 26 HN ALA 26 11.501 -9.447 11.610 313 H MET 27 HN MET 27 12.260 -5.089 10.906 314 H LEU 28 HN LEU 28 11.665 -6.266 13.788 315 H SER 29 HN SER 29 12.919 -6.239 15.918 316 HG SER 29 HG SER 29 13.374 -8.568 17.471 317 H GLY 30 HN GLY 30 13.201 -3.649 16.361 318 H GLY 32 HN GLY 32 13.604 1.048 21.713 319 H GLN 33 HN GLN 33 11.491 -0.140 23.215 320 HE21 GLN 33 HE21 GLN 33 7.835 -3.787 27.640 321 HE22 GLN 33 HE22 GLN 33 7.450 -2.561 28.800 322 H PHE 34 HN PHE 34 9.546 -3.649 22.433 323 H ALA 35 HN ALA 35 6.324 -1.113 22.388 324 H GLU 36 HN GLU 36 2.443 -2.931 24.056 325 H ASN 37 HN ASN 37 1.590 -0.745 22.764 326 HD21 ASN 37 HD21 ASN 37 0.160 3.787 23.051 327 HD22 ASN 37 HD22 ASN 37 -0.790 3.202 24.374 328 H GLU 38 HN GLU 38 2.993 -0.320 20.658 329 H THR 39 HN THR 39 2.363 -2.267 19.317 330 HG1 THR 39 HG1 THR 39 3.437 -3.971 19.282 331 H ASN 40 HN ASN 40 0.259 -1.645 18.387 332 HD21 ASN 40 HD21 ASN 40 -3.708 -1.045 20.346 333 HD22 ASN 40 HD22 ASN 40 -5.245 -1.317 19.605 334 H GLU 41 HN GLU 41 -0.303 0.583 17.241 335 H VAL 42 HN VAL 42 1.344 1.032 13.573 336 H ASN 43 HN ASN 43 4.377 3.845 15.131 337 HD21 ASN 43 HD21 ASN 43 3.514 7.414 12.516 338 HD22 ASN 43 HD22 ASN 43 4.128 9.027 12.629 339 H PHE 44 HN PHE 44 4.978 5.655 11.224 340 H ARG 45 HN ARG 45 8.668 7.175 12.148 341 HE ARG 45 HE ARG 45 6.315 9.775 15.423 342 HH11 ARG 45 HH11 ARG 45 8.836 11.922 16.566 343 HH12 ARG 45 HH12 ARG 45 8.083 12.206 18.099 344 HH21 ARG 45 HH21 ARG 45 5.298 10.167 17.432 345 HH22 ARG 45 HH22 ARG 45 6.053 11.213 18.593 346 H GLU 46 HN GLU 46 9.237 10.782 9.405 347 H ILE 47 HN ILE 47 9.040 8.874 7.746 348 H SER 49 HN SER 49 5.012 9.010 2.714 349 HG SER 49 HG SER 49 3.351 9.635 1.950 350 H HIS 50 HN HIS 50 5.106 7.958 0.297 351 HE2 HIS 50 HE2 HIS 50 3.283 8.237 -5.785 352 H VAL 51 HN VAL 51 7.472 6.229 -0.046 353 H LEU 52 HN LEU 52 6.737 4.553 1.822 354 H SER 53 HN SER 53 4.654 3.336 0.769 355 HG SER 53 HG SER 53 2.817 4.190 0.414 356 H LYS 54 HN LYS 54 5.679 1.724 -1.092 357 HZ1 LYS 54 HZ1 LYS 54 8.248 -1.630 -6.548 358 HZ2 LYS 54 HZ2 LYS 54 8.509 -2.496 -5.116 359 HZ3 LYS 54 HZ3 LYS 54 9.613 -2.625 -6.389 360 H VAL 55 HN VAL 55 6.936 0.033 0.425 361 H CYS 56 HN CYS 56 5.012 -1.268 1.726 362 HG CYS 56 HG CYS 56 3.984 -0.045 3.279 363 H MET 57 HN MET 57 3.882 -2.576 -0.357 364 H TYR 58 HN TYR 58 5.807 -4.253 -0.923 365 HH TYR 58 HH TYR 58 13.115 -8.782 -1.367 366 H PHE 59 HN PHE 59 5.945 -5.884 1.169 367 H THR 60 HN THR 60 3.574 -7.131 0.985 368 HG1 THR 60 HG1 THR 60 1.862 -6.281 1.040 369 H TYR 61 HN TYR 61 3.984 -8.558 -1.296 370 HH TYR 61 HH TYR 61 7.284 -13.099 -7.800 371 H LYS 62 HN LYS 62 5.907 -10.186 -0.519 372 HZ1 LYS 62 HZ1 LYS 62 12.840 -12.375 -1.761 373 HZ2 LYS 62 HZ2 LYS 62 12.044 -10.887 -1.653 374 HZ3 LYS 62 HZ3 LYS 62 11.429 -12.107 -2.662 375 H VAL 63 HN VAL 63 4.621 -11.691 1.293 376 H ARG 64 HN ARG 64 2.781 -13.209 -0.144 377 HE ARG 64 HE ARG 64 -2.283 -13.408 0.018 378 HH11 ARG 64 HH11 ARG 64 -2.274 -16.154 -2.162 379 HH12 ARG 64 HH12 ARG 64 -3.969 -16.020 -2.530 380 HH21 ARG 64 HH21 ARG 64 -4.518 -13.245 -0.463 381 HH22 ARG 64 HH22 ARG 64 -5.228 -14.386 -1.584 382 H TYR 65 HN TYR 65 4.498 -14.349 -1.704 383 HH TYR 65 HH TYR 65 10.874 -17.990 -6.015 384 H THR 66 HN THR 66 5.974 -16.070 -0.092 385 HG1 THR 66 HG1 THR 66 7.357 -15.504 1.137 386 H ASN 67 HN ASN 67 4.265 -18.199 -0.499 387 HD21 ASN 67 HD21 ASN 67 -0.428 -18.414 1.682 388 HD22 ASN 67 HD22 ASN 67 -0.556 -19.304 3.157 389 H SER 68 HN SER 68 2.632 -18.829 -1.664 390 HG SER 68 HG SER 68 -0.786 -18.757 -2.628 391 H SER 69 HN SER 69 2.702 -18.171 -3.284 392 HG SER 69 HG SER 69 1.219 -17.055 -5.362 393 H THR 70 HN THR 70 4.719 -20.174 -4.497 394 HG1 THR 70 HG1 THR 70 6.170 -19.975 -2.584 395 H GLU 71 HN GLU 71 5.135 -20.548 -6.843 396 H ILE 72 HN ILE 72 5.618 -18.698 -8.396 397 H GLU 74 HN GLU 74 11.710 -14.689 -9.045 398 H PHE 75 HN PHE 75 10.549 -11.222 -6.228 399 H ILE 77 HN ILE 77 13.086 -7.997 -11.467 400 H ALA 78 HN ALA 78 11.977 -4.830 -11.426 401 H GLU 80 HN GLU 80 13.665 1.088 -10.964 402 H ILE 81 HN ILE 81 13.615 0.467 -7.396 403 H ALA 82 HN ALA 82 14.718 -0.226 -5.913 404 H LEU 83 HN LEU 83 16.996 0.546 -4.875 405 H GLU 84 HN GLU 84 16.495 2.715 -3.684 406 H LEU 85 HN LEU 85 15.278 1.880 -1.558 407 H LEU 86 HN LEU 86 17.086 0.933 -0.230 408 H MET 87 HN MET 87 17.910 2.942 1.157 409 H ALA 88 HN ALA 88 17.159 2.762 3.611 410 H ALA 89 HN ALA 89 18.620 1.491 5.205 411 H ASN 90 HN ASN 90 18.540 1.853 9.010 412 HD21 ASN 90 HD21 ASN 90 17.330 1.653 13.793 413 HD22 ASN 90 HD22 ASN 90 18.014 0.333 14.682 414 H PHE 91 HN PHE 91 17.163 -0.907 8.105 Start of MODEL 4 1 H1 GLY 6 HT1 GLY 6 18.716 -3.368 9.214 2 H2 GLY 6 HT2 GLY 6 17.586 -3.533 7.962 3 H3 GLY 6 HT3 GLY 6 19.191 -4.035 7.739 4 H SER 7 HN SER 7 15.591 -5.765 8.947 5 HG SER 7 HG SER 7 13.693 -4.954 8.350 6 H LEU 8 HN LEU 8 14.513 -4.603 6.450 7 H GLN 9 HN GLN 9 16.956 -4.428 5.437 8 HE21 GLN 9 HE21 GLN 9 22.444 -1.797 5.242 9 HE22 GLN 9 HE22 GLN 9 22.846 -2.053 6.904 10 H TYR 10 HN TYR 10 17.572 -6.795 4.287 11 HH TYR 10 HH TYR 10 19.024 -14.530 0.874 12 H LEU 11 HN LEU 11 15.886 -7.508 3.082 13 H ALA 12 HN ALA 12 15.518 -5.615 1.098 14 H LEU 13 HN LEU 13 17.514 -6.265 -0.339 15 H ALA 14 HN ALA 14 16.912 -8.315 -1.751 16 H ALA 15 HN ALA 15 15.535 -7.347 -3.280 17 H LEU 16 HN LEU 16 16.236 -5.928 -5.006 18 H ILE 17 HN ILE 17 18.284 -5.955 -8.448 19 H LYS 18 HN LYS 18 20.355 -3.107 -6.556 20 HZ1 LYS 18 HZ1 LYS 18 17.333 3.586 -8.349 21 HZ2 LYS 18 HZ2 LYS 18 18.354 4.943 -8.376 22 HZ3 LYS 18 HZ3 LYS 18 17.981 4.189 -6.900 23 H LYS 20 HN LYS 20 24.700 0.892 -7.088 24 HZ1 LYS 20 HZ1 LYS 20 20.568 5.225 -13.205 25 HZ2 LYS 20 HZ2 LYS 20 20.456 5.836 -11.627 26 HZ3 LYS 20 HZ3 LYS 20 19.901 4.265 -11.972 27 H GLN 21 HN GLN 21 25.561 5.110 -7.780 28 HE21 GLN 21 HE21 GLN 21 30.380 4.505 -6.410 29 HE22 GLN 21 HE22 GLN 21 30.567 4.243 -4.709 30 H ILE 22 HN ILE 22 26.141 5.842 -3.291 31 H LYS 23 HN LYS 23 23.194 8.718 -3.178 32 HZ1 LYS 23 HZ1 LYS 23 27.402 13.997 -2.492 33 HZ2 LYS 23 HZ2 LYS 23 27.586 15.528 -3.195 34 HZ3 LYS 23 HZ3 LYS 23 27.392 14.164 -4.184 35 H LEU 26 HN LEU 26 17.252 13.263 -2.598 36 H SER 28 HN SER 28 14.665 17.750 -2.360 37 HG SER 28 HG SER 28 15.331 19.352 -3.988 38 H VAL 29 HN VAL 29 12.904 15.937 -3.046 39 H ARG 30 HN ARG 30 11.968 12.833 -3.515 40 HE ARG 30 HE ARG 30 8.888 13.533 -0.597 41 HH11 ARG 30 HH11 ARG 30 6.317 11.458 0.553 42 HH12 ARG 30 HH12 ARG 30 5.982 12.407 1.969 43 HH21 ARG 30 HH21 ARG 30 8.434 14.822 1.242 44 HH22 ARG 30 HH22 ARG 30 7.180 14.342 2.340 45 H LYS 31 HN LYS 31 14.176 11.825 -2.566 46 HZ1 LYS 31 HZ1 LYS 31 17.242 6.714 -6.275 47 HZ2 LYS 31 HZ2 LYS 31 17.874 8.289 -6.337 48 HZ3 LYS 31 HZ3 LYS 31 18.195 7.197 -7.596 49 H LEU 32 HN LEU 32 16.604 8.334 -2.947 50 H THR 33 HN THR 33 20.349 11.014 -3.113 51 HG1 THR 33 HG1 THR 33 20.709 13.110 -3.055 52 H GLU 34 HN GLU 34 21.285 10.543 -7.542 53 H ASP 35 HN ASP 35 24.763 9.916 -6.061 54 H ARG 36 HN ARG 36 26.981 10.706 -4.857 55 HE ARG 36 HE ARG 36 30.077 7.603 -3.492 56 HH11 ARG 36 HH11 ARG 36 33.513 7.323 -2.884 57 HH12 ARG 36 HH12 ARG 36 33.351 5.838 -2.002 58 HH21 ARG 36 HH21 ARG 36 29.875 5.663 -2.350 59 HH22 ARG 36 HH22 ARG 36 31.286 4.898 -1.689 60 H TRP 37 HN TRP 37 29.012 11.365 -3.117 61 HE1 TRP 37 HE1 TRP 37 27.137 6.753 1.669 62 H1 MET 1 HT1 MET 1 -9.382 -16.129 -8.519 63 H2 MET 1 HT2 MET 1 -9.432 -17.778 -8.907 64 H3 MET 1 HT3 MET 1 -8.018 -17.110 -8.268 65 H ASP 2 HN ASP 2 -8.760 -14.986 -7.090 66 H VAL 3 HN VAL 3 -8.450 -12.315 -4.012 67 H PHE 4 HN PHE 4 -6.637 -8.927 -5.666 68 H LEU 5 HN LEU 5 -7.253 -6.227 -2.335 69 H MET 6 HN MET 6 -7.319 -1.928 -3.471 70 H ILE 7 HN ILE 7 -8.286 -0.904 0.365 71 H ARG 8 HN ARG 8 -9.112 2.975 -1.275 72 HE ARG 8 HE ARG 8 -5.387 8.447 -0.645 73 HH11 ARG 8 HH11 ARG 8 -4.665 7.537 -3.960 74 HH12 ARG 8 HH12 ARG 8 -3.846 9.025 -4.317 75 HH21 ARG 8 HH21 ARG 8 -4.347 10.425 -1.149 76 HH22 ARG 8 HH22 ARG 8 -3.686 10.667 -2.735 77 H ARG 9 HN ARG 9 -8.796 5.030 2.354 78 HE ARG 9 HE ARG 9 -9.808 7.735 6.182 79 HH11 ARG 9 HH11 ARG 9 -12.643 9.678 5.492 80 HH12 ARG 9 HH12 ARG 9 -11.842 11.194 5.790 81 HH21 ARG 9 HH21 ARG 9 -8.764 9.720 6.574 82 HH22 ARG 9 HH22 ARG 9 -9.643 11.206 6.411 83 H HIS 10 HN HIS 10 -9.274 8.047 0.393 84 HE2 HIS 10 HE2 HIS 10 -6.688 14.432 0.225 85 H LYS 11 HN LYS 11 -7.409 9.401 3.587 86 HZ1 LYS 11 HZ1 LYS 11 -2.802 14.383 1.376 87 HZ2 LYS 11 HZ2 LYS 11 -3.559 13.116 0.536 88 HZ3 LYS 11 HZ3 LYS 11 -2.233 12.799 1.547 89 H THR 12 HN THR 12 -7.296 7.629 4.348 90 HG1 THR 12 HG1 THR 12 -7.471 7.160 7.408 91 H THR 13 HN THR 13 -4.784 4.233 4.398 92 HG1 THR 13 HG1 THR 13 -3.542 4.800 2.520 93 H ILE 14 HN ILE 14 -7.396 1.235 2.626 94 H PHE 15 HN PHE 15 -5.216 -2.291 3.863 95 H THR 16 HN THR 16 -7.072 -4.421 0.428 96 HG1 THR 16 HG1 THR 16 -8.855 -3.698 1.550 97 H ASP 17 HN ASP 17 -7.850 -8.267 2.153 98 H ALA 18 HN ALA 18 -8.909 -10.110 -1.383 99 H LYS 19 HN LYS 19 -12.426 -12.428 -1.900 100 HZ1 LYS 19 HZ1 LYS 19 -7.382 -15.246 -1.592 101 HZ2 LYS 19 HZ2 LYS 19 -7.537 -16.689 -0.716 102 HZ3 LYS 19 HZ3 LYS 19 -7.297 -15.229 0.102 103 H GLU 20 HN GLU 20 -12.159 -14.185 -5.985 104 H SER 21 HN SER 21 -14.500 -14.818 -5.146 105 HG SER 21 HG SER 21 -15.118 -17.097 -5.384 106 H SER 22 HN SER 22 -15.473 -12.864 -3.761 107 HG SER 22 HG SER 22 -15.403 -12.782 -0.592 108 H THR 23 HN THR 23 -18.919 -10.510 -1.826 109 HG1 THR 23 HG1 THR 23 -20.578 -10.293 -1.392 110 H VAL 24 HN VAL 24 -19.885 -6.829 -4.341 111 H PHE 25 HN PHE 25 -21.247 -6.009 -2.182 112 H GLU 26 HN GLU 26 -19.972 -7.359 -0.289 113 H LEU 27 HN LEU 27 -17.879 -6.082 0.099 114 H LYS 28 HN LYS 28 -18.366 -3.925 1.367 115 HZ1 LYS 28 HZ1 LYS 28 -23.262 0.352 0.163 116 HZ2 LYS 28 HZ2 LYS 28 -22.869 -0.722 -1.088 117 HZ3 LYS 28 HZ3 LYS 28 -22.643 0.940 -1.296 118 H ARG 29 HN ARG 29 -18.836 -4.967 3.752 119 HE ARG 29 HE ARG 29 -20.260 -8.445 7.074 120 HH11 ARG 29 HH11 ARG 29 -21.732 -10.392 4.560 121 HH12 ARG 29 HH12 ARG 29 -21.535 -11.879 5.423 122 HH21 ARG 29 HH21 ARG 29 -19.995 -10.399 8.203 123 HH22 ARG 29 HH22 ARG 29 -20.556 -11.886 7.503 124 H ILE 30 HN ILE 30 -16.466 -5.640 4.659 125 H VAL 31 HN VAL 31 -15.144 -3.349 4.858 126 H GLU 32 HN GLU 32 -16.666 -2.221 6.685 127 H GLY 33 HN GLY 33 -16.082 -3.687 8.839 128 H ILE 34 HN ILE 34 -13.992 -2.301 9.656 129 H LEU 35 HN LEU 35 -13.628 -0.058 9.647 130 H LYS 36 HN LYS 36 -15.397 0.171 11.263 131 HZ1 LYS 36 HZ1 LYS 36 -13.339 -0.456 18.009 132 HZ2 LYS 36 HZ2 LYS 36 -13.488 -2.135 18.148 133 HZ3 LYS 36 HZ3 LYS 36 -14.801 -1.139 18.517 134 H ARG 37 HN ARG 37 -17.690 1.638 10.413 135 HE ARG 37 HE ARG 37 -14.290 6.022 11.248 136 HH11 ARG 37 HH11 ARG 37 -16.758 8.467 10.805 137 HH12 ARG 37 HH12 ARG 37 -15.915 9.663 11.737 138 HH21 ARG 37 HH21 ARG 37 -13.172 7.611 12.474 139 HH22 ARG 37 HH22 ARG 37 -13.884 9.182 12.675 140 H ASP 40 HN ASP 40 -23.716 2.061 5.483 141 H GLU 41 HN GLU 41 -22.764 4.255 4.604 142 H GLN 42 HN GLN 42 -21.239 3.700 2.871 143 HE21 GLN 42 HE21 GLN 42 -18.695 1.835 6.337 144 HE22 GLN 42 HE22 GLN 42 -17.981 0.273 6.131 145 H ARG 43 HN ARG 43 -18.594 5.809 0.291 146 HE ARG 43 HE ARG 43 -22.866 8.427 -2.267 147 HH11 ARG 43 HH11 ARG 43 -22.903 5.407 -0.501 148 HH12 ARG 43 HH12 ARG 43 -24.374 5.767 0.344 149 HH21 ARG 43 HH21 ARG 43 -24.829 8.893 -1.183 150 HH22 ARG 43 HH22 ARG 43 -25.471 7.742 -0.054 151 H LEU 44 HN LEU 44 -18.642 2.734 -2.519 152 H TYR 45 HN TYR 45 -14.824 3.873 -4.296 153 HH TYR 45 HH TYR 45 -19.923 9.125 -6.432 154 H LYS 46 HN LYS 46 -15.218 2.408 -8.304 155 HZ1 LYS 46 HZ1 LYS 46 -13.072 -3.467 -11.460 156 HZ2 LYS 46 HZ2 LYS 46 -11.469 -3.483 -12.007 157 HZ3 LYS 46 HZ3 LYS 46 -12.291 -2.007 -11.832 158 H ASP 47 HN ASP 47 -11.369 2.297 -10.352 159 H ASP 48 HN ASP 48 -12.526 4.601 -10.600 160 H GLN 49 HN GLN 49 -15.018 4.126 -11.002 161 HE21 GLN 49 HE21 GLN 49 -17.211 6.902 -13.108 162 HE22 GLN 49 HE22 GLN 49 -18.795 7.493 -13.483 163 H LEU 50 HN LEU 50 -19.388 4.439 -10.139 164 H LEU 51 HN LEU 51 -18.557 1.568 -6.723 165 H ASP 52 HN ASP 52 -20.517 -2.260 -8.372 166 H ASP 53 HN ASP 53 -23.648 -2.224 -5.263 167 H GLY 54 HN GLY 54 -24.805 -4.511 -6.109 168 H LYS 55 HN LYS 55 -22.800 -6.284 -6.565 169 HZ1 LYS 55 HZ1 LYS 55 -25.711 -4.932 -12.196 170 HZ2 LYS 55 HZ2 LYS 55 -24.993 -4.858 -10.663 171 HZ3 LYS 55 HZ3 LYS 55 -25.378 -6.359 -11.354 172 H THR 56 HN THR 56 -20.734 -9.738 -8.474 173 HG1 THR 56 HG1 THR 56 -19.990 -11.316 -9.080 174 H LEU 57 HN LEU 57 -16.819 -9.993 -6.153 175 H GLY 58 HN GLY 58 -15.794 -10.947 -8.465 176 H GLU 59 HN GLU 59 -17.531 -10.065 -10.413 177 H CYS 60 HN CYS 60 -16.662 -7.663 -10.398 178 HG CYS 60 HG CYS 60 -18.275 -6.650 -8.500 179 H GLY 61 HN GLY 61 -15.181 -7.239 -12.474 180 H PHE 62 HN PHE 62 -12.986 -8.194 -11.447 181 H THR 63 HN THR 63 -9.420 -8.154 -12.294 182 HG1 THR 63 HG1 THR 63 -7.957 -8.518 -14.963 183 H SER 64 HN SER 64 -7.134 -12.090 -12.326 184 HG SER 64 HG SER 64 -5.241 -13.899 -13.058 185 H GLN 65 HN GLN 65 -5.672 -10.141 -13.218 186 HE21 GLN 65 HE21 GLN 65 -2.486 -12.256 -16.070 187 HE22 GLN 65 HE22 GLN 65 -0.868 -11.651 -16.008 188 H THR 66 HN THR 66 -5.996 -7.875 -12.703 189 HG1 THR 66 HG1 THR 66 -7.552 -7.337 -11.589 190 H ALA 67 HN ALA 67 -5.782 -8.057 -10.429 191 H ARG 68 HN ARG 68 -3.007 -6.986 -7.840 192 HE ARG 68 HE ARG 68 -1.115 -8.175 -12.711 193 HH11 ARG 68 HH11 ARG 68 2.197 -7.504 -11.814 194 HH12 ARG 68 HH12 ARG 68 2.819 -7.717 -13.421 195 HH21 ARG 68 HH21 ARG 68 -0.304 -8.467 -14.852 196 HH22 ARG 68 HH22 ARG 68 1.392 -8.243 -15.150 197 H GLN 70 HN GLN 70 1.061 -8.440 -6.306 198 HE21 GLN 70 HE21 GLN 70 4.999 -9.357 -8.888 199 HE22 GLN 70 HE22 GLN 70 4.921 -8.588 -10.436 200 H ALA 71 HN ALA 71 0.081 -6.550 -6.171 201 H ALA 73 HN ALA 73 -5.861 -4.475 -6.280 202 H THR 74 HN THR 74 -5.708 -0.128 -7.030 203 HG1 THR 74 HG1 THR 74 -3.986 2.326 -6.422 204 H VAL 75 HN VAL 75 -8.606 1.003 -3.793 205 H GLY 76 HN GLY 76 -11.672 3.782 -5.182 206 H LEU 77 HN LEU 77 -11.669 5.524 -0.995 207 H ALA 78 HN ALA 78 -15.632 6.298 -1.159 208 H PHE 79 HN PHE 79 -15.690 8.754 2.307 209 H ARG 80 HN ARG 80 -19.950 8.541 2.534 210 HE ARG 80 HE ARG 80 -24.305 9.628 2.165 211 HH11 ARG 80 HH11 ARG 80 -26.048 12.295 0.675 212 HH12 ARG 80 HH12 ARG 80 -27.560 11.863 1.408 213 HH21 ARG 80 HH21 ARG 80 -26.272 9.039 3.070 214 HH22 ARG 80 HH22 ARG 80 -27.700 9.980 2.744 215 H ALA 81 HN ALA 81 -20.211 12.608 4.296 216 H ASP 82 HN ASP 82 -23.134 13.133 7.590 217 H ASP 83 HN ASP 83 -23.565 17.342 5.898 218 H THR 84 HN THR 84 -20.983 16.842 5.624 219 HG1 THR 84 HG1 THR 84 -19.793 16.266 7.979 220 H PHE 85 HN PHE 85 -17.500 18.767 4.785 221 H GLU 86 HN GLU 86 -15.919 16.920 4.293 222 H ALA 87 HN ALA 87 -16.610 14.644 2.905 223 H LEU 88 HN LEU 88 -16.898 15.464 0.261 224 H CYS 89 HN CYS 89 -14.420 15.560 -0.395 225 HG CYS 89 HG CYS 89 -13.904 17.580 0.633 226 H ILE 90 HN ILE 90 -13.619 13.414 -0.789 227 H GLU 91 HN GLU 91 -14.635 12.225 -2.338 228 H PHE 93 HN PHE 93 -15.618 10.666 -7.267 229 H SER 94 HN SER 94 -15.573 13.087 -7.345 230 HG SER 94 HG SER 94 -15.861 14.977 -5.041 231 H SER 95 HN SER 95 -13.859 14.228 -6.622 232 HG SER 95 HG SER 95 -13.249 15.762 -4.628 233 H GLU 98 HN GLU 98 -6.444 11.513 -5.737 234 H LEU 99 HN LEU 99 -2.827 13.459 -6.791 235 H ASP 101 HN ASP 101 1.978 16.623 -6.232 236 H VAL 102 HN VAL 102 4.680 16.679 -6.323 237 H MET 103 HN MET 103 5.033 14.227 -7.030 238 H LYS 104 HN LYS 104 5.616 13.757 -9.725 239 HZ1 LYS 104 HZ1 LYS 104 0.010 15.011 -14.067 240 HZ2 LYS 104 HZ2 LYS 104 -1.205 13.852 -14.235 241 HZ3 LYS 104 HZ3 LYS 104 0.407 13.370 -14.115 242 H GLN 106 HN GLN 106 6.436 10.622 -13.480 243 HE21 GLN 106 HE21 GLN 106 9.269 11.456 -8.799 244 HE22 GLN 106 HE22 GLN 106 8.744 10.374 -7.557 245 H ASP 107 HN ASP 107 9.440 7.389 -13.696 246 H SER 108 HN SER 108 7.301 4.050 -15.823 247 HG SER 108 HG SER 108 3.493 4.243 -15.181 248 H GLY 109 HN GLY 109 5.787 1.604 -12.343 249 H SER 110 HN SER 110 7.132 -2.290 -11.636 250 HG SER 110 HG SER 110 7.239 -3.924 -10.768 251 H SER 111 HN SER 111 5.154 -2.792 -10.919 252 HG SER 111 HG SER 111 5.098 -3.877 -8.669 253 H ALA 112 HN ALA 112 0.622 -3.188 -10.695 254 H ASN 113 HN ASN 113 -0.017 1.291 -11.451 255 HD21 ASN 113 HD21 ASN 113 0.707 4.299 -8.157 256 HD22 ASN 113 HD22 ASN 113 -0.507 5.389 -7.575 257 H GLU 114 HN GLU 114 2.278 0.653 -9.977 258 H GLN 115 HN GLN 115 5.485 3.398 -8.390 259 HE21 GLN 115 HE21 GLN 115 4.432 8.464 -10.728 260 HE22 GLN 115 HE22 GLN 115 3.906 9.396 -9.367 261 H ALA 116 HN ALA 116 8.002 5.160 -11.682 262 H VAL 117 HN VAL 117 10.946 5.897 -9.059 263 H GLN 118 HN GLN 118 12.522 9.306 -11.583 264 HE21 GLN 118 HE21 GLN 118 13.235 6.185 -15.216 265 HE22 GLN 118 HE22 GLN 118 11.545 6.314 -14.894 266 H1 VAL 1 HN VAL 1 -2.825 -5.577 12.080 267 H LYS 2 HN LYS 2 -1.668 -1.342 12.805 268 HZ1 LYS 2 HZ1 LYS 2 -4.261 5.568 13.485 269 HZ2 LYS 2 HZ2 LYS 2 -5.718 4.936 12.903 270 HZ3 LYS 2 HZ3 LYS 2 -5.040 6.298 12.160 271 H LEU 3 HN LEU 3 -0.742 0.731 9.120 272 H ILE 4 HN ILE 4 2.189 3.672 10.817 273 H SER 5 HN SER 5 1.547 6.772 7.909 274 HG SER 5 HG SER 5 2.773 5.559 6.407 275 H SER 6 HN SER 6 5.667 8.780 7.606 276 HG SER 6 HG SER 6 7.095 9.314 9.519 277 H ASP 7 HN ASP 7 4.191 10.599 6.255 278 H GLY 8 HN GLY 8 2.076 10.864 7.600 279 H HIS 9 HN HIS 9 0.736 9.349 6.660 280 HD1 HIS 9 HD1 HIS 9 -0.561 7.710 1.756 281 H GLU 10 HN GLU 10 -2.980 6.864 5.934 282 H PHE 11 HN PHE 11 -1.519 3.109 7.663 283 H ILE 12 HN ILE 12 -4.127 0.391 5.709 284 H VAL 13 HN VAL 13 -2.853 -3.071 8.037 285 H LYS 14 HN LYS 14 -3.690 -6.483 5.216 286 HZ1 LYS 14 HZ1 LYS 14 -8.080 -13.407 3.751 287 HZ2 LYS 14 HZ2 LYS 14 -6.388 -13.408 3.776 288 HZ3 LYS 14 HZ3 LYS 14 -7.217 -12.411 2.685 289 H ARG 15 HN ARG 15 -5.296 -8.657 8.875 290 HE ARG 15 HE ARG 15 -3.010 -10.620 14.582 291 HH11 ARG 15 HH11 ARG 15 -6.435 -11.112 15.085 292 HH12 ARG 15 HH12 ARG 15 -6.277 -11.374 16.793 293 HH21 ARG 15 HH21 ARG 15 -2.792 -10.963 16.828 294 HH22 ARG 15 HH22 ARG 15 -4.202 -11.295 17.782 295 H GLU 16 HN GLU 16 -4.592 -11.179 7.935 296 H HIS 17 HN HIS 17 -2.369 -10.812 6.410 297 HE2 HIS 17 HE2 HIS 17 -3.365 -11.507 1.293 298 H ALA 18 HN ALA 18 -0.891 -9.570 7.655 299 H LEU 19 HN LEU 19 -0.195 -11.277 9.739 300 H THR 20 HN THR 20 1.488 -13.118 8.579 301 HG1 THR 20 HG1 THR 20 1.083 -14.852 6.307 302 H SER 21 HN SER 21 3.360 -11.464 8.035 303 HG SER 21 HG SER 21 3.266 -10.153 6.441 304 H GLY 22 HN GLY 22 4.399 -10.936 10.226 305 H THR 23 HN THR 23 5.984 -12.888 10.345 306 HG1 THR 23 HG1 THR 23 4.942 -14.454 11.146 307 H ILE 24 HN ILE 24 8.107 -12.555 9.607 308 H LYS 25 HN LYS 25 12.705 -12.618 9.417 309 HZ1 LYS 25 HZ1 LYS 25 19.771 -10.089 13.141 310 HZ2 LYS 25 HZ2 LYS 25 19.456 -10.411 11.512 311 HZ3 LYS 25 HZ3 LYS 25 19.524 -11.679 12.626 312 H ALA 26 HN ALA 26 11.419 -9.572 11.649 313 H MET 27 HN MET 27 12.397 -5.201 10.901 314 H LEU 28 HN LEU 28 11.859 -6.273 14.030 315 H SER 29 HN SER 29 13.140 -5.952 16.041 316 HG SER 29 HG SER 29 14.703 -8.222 17.136 317 H GLY 30 HN GLY 30 13.435 -3.474 16.195 318 H GLY 32 HN GLY 32 13.104 1.382 21.542 319 H GLN 33 HN GLN 33 11.281 0.124 23.181 320 HE21 GLN 33 HE21 GLN 33 9.617 -4.315 27.865 321 HE22 GLN 33 HE22 GLN 33 8.827 -3.365 29.073 322 H PHE 34 HN PHE 34 9.571 -3.507 22.217 323 H ALA 35 HN ALA 35 6.522 -0.989 22.410 324 H GLU 36 HN GLU 36 2.582 -2.866 23.941 325 H ASN 37 HN ASN 37 1.569 -0.605 22.802 326 HD21 ASN 37 HD21 ASN 37 0.240 3.894 23.295 327 HD22 ASN 37 HD22 ASN 37 -0.472 3.242 24.727 328 H GLU 38 HN GLU 38 2.996 0.104 20.631 329 H THR 39 HN THR 39 2.478 -1.919 19.321 330 HG1 THR 39 HG1 THR 39 3.707 -3.761 19.242 331 H ASN 40 HN ASN 40 0.224 -1.494 18.204 332 HD21 ASN 40 HD21 ASN 40 -1.584 -2.598 19.865 333 HD22 ASN 40 HD22 ASN 40 -2.835 -3.786 19.992 334 H GLU 41 HN GLU 41 -0.443 0.660 17.138 335 H VAL 42 HN VAL 42 1.203 0.943 13.629 336 H ASN 43 HN ASN 43 4.018 3.903 15.117 337 HD21 ASN 43 HD21 ASN 43 2.397 8.085 13.300 338 HD22 ASN 43 HD22 ASN 43 3.481 9.418 13.098 339 H PHE 44 HN PHE 44 5.010 5.770 11.256 340 H ARG 45 HN ARG 45 9.434 6.557 11.779 341 HE ARG 45 HE ARG 45 6.726 9.225 14.476 342 HH11 ARG 45 HH11 ARG 45 8.993 11.335 16.103 343 HH12 ARG 45 HH12 ARG 45 8.023 11.487 17.529 344 HH21 ARG 45 HH21 ARG 45 5.462 9.400 16.356 345 HH22 ARG 45 HH22 ARG 45 6.012 10.379 17.678 346 H GLU 46 HN GLU 46 9.753 10.517 9.778 347 H ILE 47 HN ILE 47 9.063 8.787 7.887 348 H SER 49 HN SER 49 4.650 8.757 3.228 349 HG SER 49 HG SER 49 2.989 9.334 3.171 350 H HIS 50 HN HIS 50 4.825 8.128 0.571 351 HE2 HIS 50 HE2 HIS 50 3.805 7.609 -6.203 352 H VAL 51 HN VAL 51 6.910 6.329 0.361 353 H LEU 52 HN LEU 52 6.425 4.692 1.694 354 H SER 53 HN SER 53 4.501 3.291 0.687 355 HG SER 53 HG SER 53 3.271 4.215 -0.420 356 H LYS 54 HN LYS 54 5.588 1.618 -1.147 357 HZ1 LYS 54 HZ1 LYS 54 8.245 -1.750 -6.661 358 HZ2 LYS 54 HZ2 LYS 54 8.506 -2.624 -5.231 359 HZ3 LYS 54 HZ3 LYS 54 9.646 -2.682 -6.474 360 H VAL 55 HN VAL 55 6.829 -0.046 0.407 361 H CYS 56 HN CYS 56 4.977 -1.362 1.668 362 HG CYS 56 HG CYS 56 4.098 -0.175 3.182 363 H MET 57 HN MET 57 3.880 -2.725 -0.339 364 H TYR 58 HN TYR 58 5.803 -4.392 -0.891 365 HH TYR 58 HH TYR 58 13.107 -8.927 -1.371 366 H PHE 59 HN PHE 59 5.954 -6.015 1.219 367 H THR 60 HN THR 60 3.572 -7.253 1.046 368 HG1 THR 60 HG1 THR 60 1.807 -6.347 1.135 369 H TYR 61 HN TYR 61 3.936 -8.635 -1.207 370 HH TYR 61 HH TYR 61 7.127 -12.986 -7.871 371 H LYS 62 HN LYS 62 5.815 -10.288 -0.462 372 HZ1 LYS 62 HZ1 LYS 62 12.853 -12.616 -1.438 373 HZ2 LYS 62 HZ2 LYS 62 12.182 -11.071 -1.291 374 HZ3 LYS 62 HZ3 LYS 62 11.477 -12.203 -2.341 375 H VAL 63 HN VAL 63 4.583 -11.873 1.348 376 H ARG 64 HN ARG 64 2.809 -13.322 -0.171 377 HE ARG 64 HE ARG 64 -2.374 -13.407 -0.035 378 HH11 ARG 64 HH11 ARG 64 -2.268 -16.087 -2.277 379 HH12 ARG 64 HH12 ARG 64 -3.952 -15.974 -2.702 380 HH21 ARG 64 HH21 ARG 64 -4.589 -13.237 -0.578 381 HH22 ARG 64 HH22 ARG 64 -5.270 -14.352 -1.742 382 H TYR 65 HN TYR 65 4.433 -14.436 -1.747 383 HH TYR 65 HH TYR 65 11.296 -17.977 -5.415 384 H THR 66 HN THR 66 6.227 -16.121 -0.325 385 HG1 THR 66 HG1 THR 66 7.545 -15.568 0.915 386 H ASN 67 HN ASN 67 4.857 -19.189 -1.023 387 HD21 ASN 67 HD21 ASN 67 0.394 -19.260 0.018 388 HD22 ASN 67 HD22 ASN 67 -0.528 -20.284 1.066 389 H SER 68 HN SER 68 2.797 -18.978 -1.719 390 HG SER 68 HG SER 68 0.874 -18.037 -2.463 391 H SER 69 HN SER 69 2.876 -18.150 -3.453 392 HG SER 69 HG SER 69 1.453 -16.448 -5.606 393 H THR 70 HN THR 70 4.618 -20.265 -4.610 394 HG1 THR 70 HG1 THR 70 5.612 -22.451 -2.964 395 H GLU 71 HN GLU 71 5.050 -20.630 -7.068 396 H ILE 72 HN ILE 72 5.886 -18.796 -8.386 397 H GLU 74 HN GLU 74 11.638 -14.349 -8.757 398 H PHE 75 HN PHE 75 10.485 -10.713 -6.265 399 H ILE 77 HN ILE 77 13.178 -8.041 -11.574 400 H ALA 78 HN ALA 78 12.049 -4.694 -11.659 401 H GLU 80 HN GLU 80 13.583 1.433 -11.372 402 H ILE 81 HN ILE 81 13.213 0.938 -8.369 403 H ALA 82 HN ALA 82 15.339 1.389 -5.096 404 H LEU 83 HN LEU 83 16.952 0.597 -4.550 405 H GLU 84 HN GLU 84 16.377 2.587 -3.285 406 H LEU 85 HN LEU 85 15.095 1.908 -1.191 407 H LEU 86 HN LEU 86 16.609 0.751 0.097 408 H MET 87 HN MET 87 17.788 2.612 1.284 409 H ALA 88 HN ALA 88 17.054 2.684 3.832 410 H ALA 89 HN ALA 89 18.590 1.395 5.433 411 H ASN 90 HN ASN 90 18.492 1.776 9.260 412 HD21 ASN 90 HD21 ASN 90 16.817 1.560 13.904 413 HD22 ASN 90 HD22 ASN 90 17.240 0.167 14.833 414 H PHE 91 HN PHE 91 17.061 -1.038 8.324 Start of MODEL 5 1 H1 GLY 6 HT1 GLY 6 18.361 -3.772 9.633 2 H2 GLY 6 HT2 GLY 6 17.402 -3.878 8.233 3 H3 GLY 6 HT3 GLY 6 19.028 -4.360 8.192 4 H SER 7 HN SER 7 15.266 -5.818 8.951 5 HG SER 7 HG SER 7 13.401 -4.864 8.361 6 H LEU 8 HN LEU 8 14.177 -4.639 6.368 7 H GLN 9 HN GLN 9 16.659 -4.403 5.606 8 HE21 GLN 9 HE21 GLN 9 23.003 -5.225 5.749 9 HE22 GLN 9 HE22 GLN 9 23.152 -5.037 7.462 10 H TYR 10 HN TYR 10 17.319 -6.755 4.319 11 HH TYR 10 HH TYR 10 16.061 -14.325 1.556 12 H LEU 11 HN LEU 11 15.761 -7.638 3.210 13 H ALA 12 HN ALA 12 15.461 -5.674 1.171 14 H LEU 13 HN LEU 13 17.581 -5.823 -0.386 15 H ALA 14 HN ALA 14 17.196 -8.176 -1.339 16 H ALA 15 HN ALA 15 16.091 -7.654 -3.707 17 H LEU 16 HN LEU 16 15.652 -5.962 -4.891 18 H ILE 17 HN ILE 17 18.057 -6.288 -7.820 19 H LYS 18 HN LYS 18 20.018 -2.877 -6.163 20 HZ1 LYS 18 HZ1 LYS 18 16.785 3.593 -8.027 21 HZ2 LYS 18 HZ2 LYS 18 17.717 4.947 -8.433 22 HZ3 LYS 18 HZ3 LYS 18 17.626 4.436 -6.821 23 H LYS 20 HN LYS 20 23.340 1.090 -7.343 24 HZ1 LYS 20 HZ1 LYS 20 21.983 5.735 -13.180 25 HZ2 LYS 20 HZ2 LYS 20 23.026 4.601 -12.492 26 HZ3 LYS 20 HZ3 LYS 20 22.460 5.899 -11.565 27 H GLN 21 HN GLN 21 24.590 5.220 -8.115 28 HE21 GLN 21 HE21 GLN 21 29.738 5.116 -8.095 29 HE22 GLN 21 HE22 GLN 21 30.335 4.817 -6.499 30 H ILE 22 HN ILE 22 26.466 6.412 -4.126 31 H LYS 23 HN LYS 23 23.108 8.433 -1.967 32 HZ1 LYS 23 HZ1 LYS 23 26.837 14.104 -1.861 33 HZ2 LYS 23 HZ2 LYS 23 27.261 15.479 -2.759 34 HZ3 LYS 23 HZ3 LYS 23 27.232 13.963 -3.505 35 H LEU 26 HN LEU 26 17.289 13.625 -2.420 36 H SER 28 HN SER 28 14.669 18.135 -2.042 37 HG SER 28 HG SER 28 15.174 19.997 -3.246 38 H VAL 29 HN VAL 29 13.112 16.255 -2.844 39 H ARG 30 HN ARG 30 11.821 12.808 -3.519 40 HE ARG 30 HE ARG 30 8.728 13.739 -0.520 41 HH11 ARG 30 HH11 ARG 30 6.061 11.646 0.330 42 HH12 ARG 30 HH12 ARG 30 5.541 12.622 1.671 43 HH21 ARG 30 HH21 ARG 30 8.032 15.049 1.222 44 HH22 ARG 30 HH22 ARG 30 6.649 14.570 2.156 45 H LYS 31 HN LYS 31 14.124 11.894 -2.445 46 HZ1 LYS 31 HZ1 LYS 31 17.434 7.046 -6.239 47 HZ2 LYS 31 HZ2 LYS 31 18.017 8.642 -6.266 48 HZ3 LYS 31 HZ3 LYS 31 18.341 7.602 -7.562 49 H LEU 32 HN LEU 32 16.614 8.440 -2.908 50 H THR 33 HN THR 33 20.316 11.180 -3.035 51 HG1 THR 33 HG1 THR 33 20.572 13.278 -2.951 52 H GLU 34 HN GLU 34 22.004 11.535 -7.263 53 H ASP 35 HN ASP 35 25.620 9.482 -6.190 54 H ARG 36 HN ARG 36 27.418 10.446 -4.338 55 HE ARG 36 HE ARG 36 30.352 7.830 -2.227 56 HH11 ARG 36 HH11 ARG 36 32.889 5.512 -2.829 57 HH12 ARG 36 HH12 ARG 36 32.224 4.315 -1.769 58 HH21 ARG 36 HH21 ARG 36 29.476 6.285 -0.830 59 HH22 ARG 36 HH22 ARG 36 30.287 4.767 -0.600 60 H TRP 37 HN TRP 37 28.923 11.383 -3.010 61 HE1 TRP 37 HE1 TRP 37 29.857 12.152 4.254 62 H1 MET 1 HT1 MET 1 -9.532 -15.725 -8.558 63 H2 MET 1 HT2 MET 1 -9.136 -17.251 -9.172 64 H3 MET 1 HT3 MET 1 -7.934 -16.283 -8.491 65 H ASP 2 HN ASP 2 -7.323 -15.473 -6.988 66 H VAL 3 HN VAL 3 -8.378 -12.343 -3.994 67 H PHE 4 HN PHE 4 -6.499 -8.951 -5.586 68 H LEU 5 HN LEU 5 -7.298 -6.291 -2.241 69 H MET 6 HN MET 6 -7.336 -1.979 -3.353 70 H ILE 7 HN ILE 7 -8.265 -0.854 0.447 71 H ARG 8 HN ARG 8 -8.967 3.062 -1.221 72 HE ARG 8 HE ARG 8 -5.021 8.340 -0.526 73 HH11 ARG 8 HH11 ARG 8 -3.589 6.993 -3.428 74 HH12 ARG 8 HH12 ARG 8 -2.921 8.507 -3.950 75 HH21 ARG 8 HH21 ARG 8 -4.126 10.343 -1.213 76 HH22 ARG 8 HH22 ARG 8 -3.232 10.410 -2.698 77 H ARG 9 HN ARG 9 -8.680 5.227 2.338 78 HE ARG 9 HE ARG 9 -9.728 7.670 6.115 79 HH11 ARG 9 HH11 ARG 9 -12.131 10.107 5.376 80 HH12 ARG 9 HH12 ARG 9 -11.126 11.447 5.836 81 HH21 ARG 9 HH21 ARG 9 -8.401 9.406 6.755 82 HH22 ARG 9 HH22 ARG 9 -8.991 11.034 6.638 83 H HIS 10 HN HIS 10 -9.109 8.464 0.331 84 HE2 HIS 10 HE2 HIS 10 -5.983 14.563 0.471 85 H LYS 11 HN LYS 11 -6.939 9.694 3.588 86 HZ1 LYS 11 HZ1 LYS 11 -0.860 14.847 3.897 87 HZ2 LYS 11 HZ2 LYS 11 -0.718 13.606 5.042 88 HZ3 LYS 11 HZ3 LYS 11 -1.962 14.743 5.177 89 H THR 12 HN THR 12 -6.993 7.823 4.244 90 HG1 THR 12 HG1 THR 12 -7.141 7.399 7.409 91 H THR 13 HN THR 13 -4.691 4.262 4.554 92 HG1 THR 13 HG1 THR 13 -4.149 4.941 2.675 93 H ILE 14 HN ILE 14 -7.250 1.248 2.638 94 H PHE 15 HN PHE 15 -5.250 -2.307 4.000 95 H THR 16 HN THR 16 -7.072 -4.501 0.555 96 HG1 THR 16 HG1 THR 16 -8.879 -3.734 1.800 97 H ASP 17 HN ASP 17 -8.068 -8.325 2.284 98 H ALA 18 HN ALA 18 -9.044 -9.938 -1.396 99 H LYS 19 HN LYS 19 -12.644 -12.180 -2.130 100 HZ1 LYS 19 HZ1 LYS 19 -7.497 -14.481 -1.376 101 HZ2 LYS 19 HZ2 LYS 19 -7.924 -13.872 0.154 102 HZ3 LYS 19 HZ3 LYS 19 -8.696 -13.294 -1.237 103 H GLU 20 HN GLU 20 -12.174 -13.985 -6.152 104 H SER 21 HN SER 21 -14.644 -14.876 -5.396 105 HG SER 21 HG SER 21 -15.101 -17.516 -4.336 106 H SER 22 HN SER 22 -15.663 -12.856 -4.020 107 HG SER 22 HG SER 22 -15.445 -13.379 -1.815 108 H THR 23 HN THR 23 -19.063 -10.632 -1.896 109 HG1 THR 23 HG1 THR 23 -20.732 -10.237 -1.271 110 H VAL 24 HN VAL 24 -19.918 -6.848 -4.336 111 H PHE 25 HN PHE 25 -21.083 -5.977 -2.243 112 H GLU 26 HN GLU 26 -19.977 -7.290 -0.234 113 H LEU 27 HN LEU 27 -17.660 -6.057 0.123 114 H LYS 28 HN LYS 28 -18.238 -3.784 1.334 115 HZ1 LYS 28 HZ1 LYS 28 -22.835 -0.552 -1.286 116 HZ2 LYS 28 HZ2 LYS 28 -22.123 0.770 -2.075 117 HZ3 LYS 28 HZ3 LYS 28 -22.579 0.904 -0.452 118 H ARG 29 HN ARG 29 -18.837 -4.702 3.698 119 HE ARG 29 HE ARG 29 -22.254 -6.133 6.972 120 HH11 ARG 29 HH11 ARG 29 -23.712 -8.677 5.064 121 HH12 ARG 29 HH12 ARG 29 -25.123 -8.796 6.060 122 HH21 ARG 29 HH21 ARG 29 -24.100 -6.277 8.292 123 HH22 ARG 29 HH22 ARG 29 -25.339 -7.435 7.917 124 H ILE 30 HN ILE 30 -16.628 -5.329 4.653 125 H VAL 31 HN VAL 31 -15.307 -3.164 4.984 126 H GLU 32 HN GLU 32 -16.781 -2.220 6.958 127 H GLY 33 HN GLY 33 -15.941 -3.585 9.097 128 H ILE 34 HN ILE 34 -13.907 -2.132 9.700 129 H LEU 35 HN LEU 35 -13.406 0.182 9.467 130 H LYS 36 HN LYS 36 -14.959 0.319 11.297 131 HZ1 LYS 36 HZ1 LYS 36 -12.412 0.590 17.856 132 HZ2 LYS 36 HZ2 LYS 36 -12.647 -1.020 18.302 133 HZ3 LYS 36 HZ3 LYS 36 -13.879 0.108 18.543 134 H ARG 37 HN ARG 37 -17.196 1.630 10.287 135 HE ARG 37 HE ARG 37 -14.589 6.450 10.286 136 HH11 ARG 37 HH11 ARG 37 -17.326 8.629 10.133 137 HH12 ARG 37 HH12 ARG 37 -16.484 9.938 10.898 138 HH21 ARG 37 HH21 ARG 37 -13.485 8.171 11.291 139 HH22 ARG 37 HH22 ARG 37 -14.305 9.680 11.555 140 H ASP 40 HN ASP 40 -23.770 1.579 5.843 141 H GLU 41 HN GLU 41 -23.118 4.067 5.066 142 H GLN 42 HN GLN 42 -21.750 3.507 3.052 143 HE21 GLN 42 HE21 GLN 42 -18.787 1.725 6.389 144 HE22 GLN 42 HE22 GLN 42 -17.913 0.261 6.104 145 H ARG 43 HN ARG 43 -18.657 5.270 0.348 146 HE ARG 43 HE ARG 43 -24.010 6.276 -2.597 147 HH11 ARG 43 HH11 ARG 43 -22.551 4.302 -0.096 148 HH12 ARG 43 HH12 ARG 43 -23.960 4.332 0.923 149 HH21 ARG 43 HH21 ARG 43 -25.863 6.292 -1.275 150 HH22 ARG 43 HH22 ARG 43 -25.839 5.469 0.251 151 H LEU 44 HN LEU 44 -18.722 2.549 -2.838 152 H TYR 45 HN TYR 45 -14.679 3.642 -4.430 153 HH TYR 45 HH TYR 45 -19.570 9.228 -5.487 154 H LYS 46 HN LYS 46 -14.929 2.463 -8.537 155 HZ1 LYS 46 HZ1 LYS 46 -12.587 -2.037 -12.519 156 HZ2 LYS 46 HZ2 LYS 46 -11.094 -2.785 -12.759 157 HZ3 LYS 46 HZ3 LYS 46 -11.152 -1.190 -12.197 158 H ASP 47 HN ASP 47 -10.876 2.525 -10.101 159 H ASP 48 HN ASP 48 -11.876 4.980 -10.568 160 H GLN 49 HN GLN 49 -14.374 4.352 -11.041 161 HE21 GLN 49 HE21 GLN 49 -16.560 6.722 -13.626 162 HE22 GLN 49 HE22 GLN 49 -18.108 7.089 -14.307 163 H LEU 50 HN LEU 50 -18.815 4.640 -10.765 164 H LEU 51 HN LEU 51 -18.543 2.045 -6.987 165 H ASP 52 HN ASP 52 -20.019 -2.144 -8.061 166 H ASP 53 HN ASP 53 -23.639 -3.689 -6.205 167 H GLY 54 HN GLY 54 -25.027 -5.094 -5.338 168 H LYS 55 HN LYS 55 -23.528 -6.286 -6.911 169 HZ1 LYS 55 HZ1 LYS 55 -23.272 -4.513 -13.440 170 HZ2 LYS 55 HZ2 LYS 55 -23.254 -3.352 -12.210 171 HZ3 LYS 55 HZ3 LYS 55 -24.682 -3.662 -13.057 172 H THR 56 HN THR 56 -20.963 -9.795 -8.529 173 HG1 THR 56 HG1 THR 56 -20.206 -11.382 -9.152 174 H LEU 57 HN LEU 57 -16.991 -10.022 -6.282 175 H GLY 58 HN GLY 58 -15.899 -11.008 -8.585 176 H GLU 59 HN GLU 59 -17.479 -9.777 -10.397 177 H CYS 60 HN CYS 60 -16.492 -7.612 -10.677 178 HG CYS 60 HG CYS 60 -18.375 -6.667 -8.961 179 H GLY 61 HN GLY 61 -14.942 -7.217 -12.516 180 H PHE 62 HN PHE 62 -13.399 -7.367 -10.642 181 H THR 63 HN THR 63 -9.525 -8.453 -11.152 182 HG1 THR 63 HG1 THR 63 -9.466 -9.504 -14.022 183 H SER 64 HN SER 64 -7.917 -12.603 -10.856 184 HG SER 64 HG SER 64 -7.032 -13.524 -8.531 185 H GLN 65 HN GLN 65 -6.497 -10.877 -12.419 186 HE21 GLN 65 HE21 GLN 65 -2.040 -12.047 -16.262 187 HE22 GLN 65 HE22 GLN 65 -1.139 -10.585 -16.461 188 H THR 66 HN THR 66 -6.512 -8.561 -12.606 189 HG1 THR 66 HG1 THR 66 -8.934 -6.648 -12.490 190 H ALA 67 HN ALA 67 -6.191 -8.188 -10.376 191 H ARG 68 HN ARG 68 -2.889 -7.091 -8.217 192 HE ARG 68 HE ARG 68 -1.674 -8.326 -12.834 193 HH11 ARG 68 HH11 ARG 68 1.819 -8.029 -12.736 194 HH12 ARG 68 HH12 ARG 68 1.981 -7.908 -14.456 195 HH21 ARG 68 HH21 ARG 68 -1.462 -8.192 -15.097 196 HH22 ARG 68 HH22 ARG 68 0.117 -8.016 -15.804 197 H GLN 70 HN GLN 70 1.104 -8.691 -6.498 198 HE21 GLN 70 HE21 GLN 70 4.073 -10.238 -8.623 199 HE22 GLN 70 HE22 GLN 70 5.423 -9.868 -9.636 200 H ALA 71 HN ALA 71 0.039 -6.751 -6.254 201 H ALA 73 HN ALA 73 -5.900 -4.510 -6.143 202 H THR 74 HN THR 74 -5.817 -0.164 -7.093 203 HG1 THR 74 HG1 THR 74 -4.223 1.738 -6.791 204 H VAL 75 HN VAL 75 -8.569 1.032 -3.731 205 H GLY 76 HN GLY 76 -11.711 3.733 -5.087 206 H LEU 77 HN LEU 77 -11.799 5.579 -0.930 207 H ALA 78 HN ALA 78 -15.854 6.154 -1.078 208 H PHE 79 HN PHE 79 -16.007 8.504 2.346 209 H ARG 80 HN ARG 80 -20.357 8.160 2.661 210 HE ARG 80 HE ARG 80 -24.937 9.056 2.365 211 HH11 ARG 80 HH11 ARG 80 -26.508 10.673 -0.322 212 HH12 ARG 80 HH12 ARG 80 -28.072 10.007 0.030 213 HH21 ARG 80 HH21 ARG 80 -26.974 8.187 2.821 214 HH22 ARG 80 HH22 ARG 80 -28.341 8.611 1.834 215 H ALA 81 HN ALA 81 -19.963 12.053 4.139 216 H ASP 82 HN ASP 82 -23.156 13.090 6.854 217 H ASP 83 HN ASP 83 -23.114 17.554 5.682 218 H THR 84 HN THR 84 -20.571 16.641 6.040 219 HG1 THR 84 HG1 THR 84 -19.606 16.029 7.855 220 H PHE 85 HN PHE 85 -17.423 18.908 4.612 221 H GLU 86 HN GLU 86 -15.763 17.078 4.099 222 H ALA 87 HN ALA 87 -16.444 14.807 2.798 223 H LEU 88 HN LEU 88 -16.711 15.430 0.135 224 H CYS 89 HN CYS 89 -14.268 15.577 -0.661 225 HG CYS 89 HG CYS 89 -13.057 18.378 -1.733 226 H ILE 90 HN ILE 90 -13.464 13.320 -0.896 227 H GLU 91 HN GLU 91 -14.270 12.373 -2.742 228 H PHE 93 HN PHE 93 -15.251 10.816 -7.380 229 H SER 94 HN SER 94 -15.701 12.914 -7.674 230 HG SER 94 HG SER 94 -18.278 13.832 -7.085 231 H SER 95 HN SER 95 -13.965 13.756 -7.608 232 HG SER 95 HG SER 95 -13.800 15.533 -4.986 233 H GLU 98 HN GLU 98 -6.474 11.893 -5.212 234 H LEU 99 HN LEU 99 -2.679 13.930 -6.312 235 H ASP 101 HN ASP 101 2.621 16.659 -6.000 236 H VAL 102 HN VAL 102 5.244 16.300 -6.118 237 H MET 103 HN MET 103 5.356 13.854 -7.069 238 H LYS 104 HN LYS 104 5.298 13.745 -9.325 239 HZ1 LYS 104 HZ1 LYS 104 1.794 14.180 -14.653 240 HZ2 LYS 104 HZ2 LYS 104 1.482 15.841 -14.745 241 HZ3 LYS 104 HZ3 LYS 104 0.381 14.738 -15.400 242 H GLN 106 HN GLN 106 6.317 10.539 -13.201 243 HE21 GLN 106 HE21 GLN 106 9.332 11.434 -8.864 244 HE22 GLN 106 HE22 GLN 106 8.822 10.523 -7.487 245 H ASP 107 HN ASP 107 9.360 7.449 -14.062 246 H SER 108 HN SER 108 6.521 4.508 -16.215 247 HG SER 108 HG SER 108 3.501 4.127 -15.229 248 H GLY 109 HN GLY 109 5.869 1.837 -12.537 249 H SER 110 HN SER 110 6.726 -1.438 -11.127 250 HG SER 110 HG SER 110 7.098 -2.866 -10.136 251 H SER 111 HN SER 111 5.168 -2.349 -10.114 252 HG SER 111 HG SER 111 3.752 -3.979 -7.350 253 H ALA 112 HN ALA 112 0.591 -2.817 -9.873 254 H ASN 113 HN ASN 113 0.237 0.933 -12.266 255 HD21 ASN 113 HD21 ASN 113 0.219 4.969 -8.972 256 HD22 ASN 113 HD22 ASN 113 -0.641 6.309 -9.648 257 H GLU 114 HN GLU 114 2.497 1.319 -11.134 258 H GLN 115 HN GLN 115 5.282 3.951 -8.701 259 HE21 GLN 115 HE21 GLN 115 4.113 9.179 -9.344 260 HE22 GLN 115 HE22 GLN 115 2.637 8.848 -8.504 261 H ALA 116 HN ALA 116 8.195 5.025 -11.752 262 H VAL 117 HN VAL 117 11.173 5.945 -8.771 263 H GLN 118 HN GLN 118 12.581 9.195 -11.469 264 HE21 GLN 118 HE21 GLN 118 13.003 6.066 -14.956 265 HE22 GLN 118 HE22 GLN 118 11.330 6.294 -14.588 266 H1 VAL 1 HN VAL 1 -3.212 -5.245 12.342 267 H LYS 2 HN LYS 2 -2.002 -0.944 12.895 268 HZ1 LYS 2 HZ1 LYS 2 -4.263 5.873 13.447 269 HZ2 LYS 2 HZ2 LYS 2 -5.565 4.849 13.116 270 HZ3 LYS 2 HZ3 LYS 2 -5.054 5.966 11.947 271 H LEU 3 HN LEU 3 -0.635 0.600 9.144 272 H ILE 4 HN ILE 4 2.269 3.652 10.846 273 H SER 5 HN SER 5 1.699 6.715 7.880 274 HG SER 5 HG SER 5 2.635 5.539 6.474 275 H SER 6 HN SER 6 5.699 8.863 7.356 276 HG SER 6 HG SER 6 7.046 9.492 9.081 277 H ASP 7 HN ASP 7 4.097 10.453 6.000 278 H GLY 8 HN GLY 8 2.068 10.769 7.585 279 H HIS 9 HN HIS 9 0.715 9.442 6.214 280 HD1 HIS 9 HD1 HIS 9 -1.585 5.927 2.861 281 H GLU 10 HN GLU 10 -2.926 6.703 5.948 282 H PHE 11 HN PHE 11 -1.441 2.947 7.738 283 H ILE 12 HN ILE 12 -4.167 0.414 5.934 284 H VAL 13 HN VAL 13 -2.807 -3.078 8.165 285 H LYS 14 HN LYS 14 -3.555 -6.529 5.333 286 HZ1 LYS 14 HZ1 LYS 14 -7.907 -13.627 4.187 287 HZ2 LYS 14 HZ2 LYS 14 -6.222 -13.483 4.072 288 HZ3 LYS 14 HZ3 LYS 14 -7.224 -12.651 2.984 289 H ARG 15 HN ARG 15 -5.428 -8.662 8.877 290 HE ARG 15 HE ARG 15 -4.216 -11.582 14.612 291 HH11 ARG 15 HH11 ARG 15 -6.866 -13.463 13.317 292 HH12 ARG 15 HH12 ARG 15 -6.865 -14.604 14.626 293 HH21 ARG 15 HH21 ARG 15 -4.183 -13.094 16.319 294 HH22 ARG 15 HH22 ARG 15 -5.338 -14.389 16.339 295 H GLU 16 HN GLU 16 -4.601 -11.351 8.054 296 H HIS 17 HN HIS 17 -2.427 -10.942 6.266 297 HE2 HIS 17 HE2 HIS 17 -3.521 -11.500 1.589 298 H ALA 18 HN ALA 18 -0.931 -9.723 7.894 299 H LEU 19 HN LEU 19 -0.188 -11.533 9.704 300 H THR 20 HN THR 20 1.522 -13.287 8.421 301 HG1 THR 20 HG1 THR 20 1.170 -14.236 6.125 302 H SER 21 HN SER 21 3.487 -11.550 7.731 303 HG SER 21 HG SER 21 3.311 -9.931 6.327 304 H GLY 22 HN GLY 22 4.383 -11.312 10.153 305 H THR 23 HN THR 23 6.147 -13.003 10.401 306 HG1 THR 23 HG1 THR 23 4.937 -14.779 11.081 307 H ILE 24 HN ILE 24 8.226 -12.827 9.645 308 H LYS 25 HN LYS 25 12.824 -12.776 9.826 309 HZ1 LYS 25 HZ1 LYS 25 19.952 -10.309 13.340 310 HZ2 LYS 25 HZ2 LYS 25 19.666 -11.346 12.036 311 HZ3 LYS 25 HZ3 LYS 25 19.230 -11.815 13.603 312 H ALA 26 HN ALA 26 11.688 -9.429 12.121 313 H MET 27 HN MET 27 12.049 -5.119 10.972 314 H LEU 28 HN LEU 28 11.519 -5.900 13.847 315 H SER 29 HN SER 29 12.747 -5.900 16.026 316 HG SER 29 HG SER 29 13.983 -8.038 16.705 317 H GLY 30 HN GLY 30 13.610 -3.657 16.179 318 H GLY 32 HN GLY 32 13.629 -1.616 19.640 319 H GLN 33 HN GLN 33 11.794 -0.815 23.258 320 HE21 GLN 33 HE21 GLN 33 9.646 -5.226 27.457 321 HE22 GLN 33 HE22 GLN 33 9.611 -4.272 28.899 322 H PHE 34 HN PHE 34 9.554 -4.148 21.857 323 H ALA 35 HN ALA 35 6.033 -1.766 22.155 324 H GLU 36 HN GLU 36 2.227 -3.738 23.619 325 H ASN 37 HN ASN 37 1.671 -1.040 23.063 326 HD21 ASN 37 HD21 ASN 37 -0.281 2.365 24.370 327 HD22 ASN 37 HD22 ASN 37 -0.360 4.013 23.846 328 H GLU 38 HN GLU 38 2.854 -0.437 20.731 329 H THR 39 HN THR 39 2.198 -1.933 19.398 330 HG1 THR 39 HG1 THR 39 3.324 -4.231 18.973 331 H ASN 40 HN ASN 40 -0.210 -1.436 18.523 332 HD21 ASN 40 HD21 ASN 40 -3.172 0.014 20.539 333 HD22 ASN 40 HD22 ASN 40 -3.636 -1.521 21.186 334 H GLU 41 HN GLU 41 -0.322 0.745 17.068 335 H VAL 42 HN VAL 42 1.282 0.813 13.536 336 H ASN 43 HN ASN 43 4.174 3.648 15.076 337 HD21 ASN 43 HD21 ASN 43 2.245 7.719 13.978 338 HD22 ASN 43 HD22 ASN 43 3.100 9.128 13.460 339 H PHE 44 HN PHE 44 5.103 5.787 11.264 340 H ARG 45 HN ARG 45 9.406 6.708 11.862 341 HE ARG 45 HE ARG 45 6.495 9.423 14.379 342 HH11 ARG 45 HH11 ARG 45 7.354 12.812 14.103 343 HH12 ARG 45 HH12 ARG 45 5.911 13.367 14.886 344 HH21 ARG 45 HH21 ARG 45 4.595 10.156 15.400 345 HH22 ARG 45 HH22 ARG 45 4.339 11.858 15.618 346 H GLU 46 HN GLU 46 9.625 10.735 9.822 347 H ILE 47 HN ILE 47 9.048 9.109 7.791 348 H SER 49 HN SER 49 4.664 8.989 2.894 349 HG SER 49 HG SER 49 1.758 9.123 1.621 350 H HIS 50 HN HIS 50 4.957 8.095 0.459 351 HE2 HIS 50 HE2 HIS 50 5.422 6.804 -6.416 352 H VAL 51 HN VAL 51 7.323 6.436 -0.005 353 H LEU 52 HN LEU 52 6.600 4.675 1.696 354 H SER 53 HN SER 53 4.643 3.377 0.533 355 HG SER 53 HG SER 53 2.765 4.173 0.143 356 H LYS 54 HN LYS 54 5.753 1.614 -1.198 357 HZ1 LYS 54 HZ1 LYS 54 8.353 -1.045 -7.142 358 HZ2 LYS 54 HZ2 LYS 54 7.876 -2.100 -5.903 359 HZ3 LYS 54 HZ3 LYS 54 9.151 -2.524 -6.924 360 H VAL 55 HN VAL 55 6.822 -0.047 0.409 361 H CYS 56 HN CYS 56 4.880 -1.268 1.672 362 HG CYS 56 HG CYS 56 3.968 -0.013 3.151 363 H MET 57 HN MET 57 3.781 -2.626 -0.351 364 H TYR 58 HN TYR 58 5.673 -4.316 -0.798 365 HH TYR 58 HH TYR 58 12.970 -8.831 -1.370 366 H PHE 59 HN PHE 59 5.682 -5.956 1.307 367 H THR 60 HN THR 60 3.330 -7.216 1.020 368 HG1 THR 60 HG1 THR 60 1.624 -6.371 1.011 369 H TYR 61 HN TYR 61 3.870 -8.619 -1.257 370 HH TYR 61 HH TYR 61 7.193 -13.061 -7.807 371 H LYS 62 HN LYS 62 5.822 -10.237 -0.504 372 HZ1 LYS 62 HZ1 LYS 62 12.787 -12.489 -1.681 373 HZ2 LYS 62 HZ2 LYS 62 12.063 -10.970 -1.499 374 HZ3 LYS 62 HZ3 LYS 62 11.389 -12.110 -2.563 375 H VAL 63 HN VAL 63 4.531 -11.760 1.311 376 H ARG 64 HN ARG 64 2.873 -13.307 -0.238 377 HE ARG 64 HE ARG 64 -2.185 -13.655 0.154 378 HH11 ARG 64 HH11 ARG 64 -2.186 -16.224 -2.227 379 HH12 ARG 64 HH12 ARG 64 -3.904 -16.148 -2.505 380 HH21 ARG 64 HH21 ARG 64 -4.457 -13.542 -0.201 381 HH22 ARG 64 HH22 ARG 64 -5.181 -14.628 -1.364 382 H TYR 65 HN TYR 65 4.471 -14.435 -1.871 383 HH TYR 65 HH TYR 65 12.095 -16.860 -4.985 384 H THR 66 HN THR 66 5.921 -16.204 -0.196 385 HG1 THR 66 HG1 THR 66 7.358 -15.572 1.100 386 H ASN 67 HN ASN 67 4.232 -18.252 -0.477 387 HD21 ASN 67 HD21 ASN 67 -0.312 -18.020 1.416 388 HD22 ASN 67 HD22 ASN 67 -1.014 -19.368 2.234 389 H SER 68 HN SER 68 2.162 -18.847 -1.448 390 HG SER 68 HG SER 68 0.441 -21.725 -0.672 391 H SER 69 HN SER 69 3.552 -19.287 -3.273 392 HG SER 69 HG SER 69 1.025 -17.678 -4.884 393 H THR 70 HN THR 70 4.701 -20.482 -4.857 394 HG1 THR 70 HG1 THR 70 6.502 -20.032 -2.950 395 H GLU 71 HN GLU 71 4.908 -20.365 -7.243 396 H ILE 72 HN ILE 72 5.612 -18.571 -8.651 397 H GLU 74 HN GLU 74 11.872 -14.527 -8.884 398 H PHE 75 HN PHE 75 10.743 -10.875 -6.389 399 H ILE 77 HN ILE 77 12.907 -8.225 -11.900 400 H ALA 78 HN ALA 78 12.166 -4.521 -11.575 401 H GLU 80 HN GLU 80 14.130 0.736 -11.055 402 H ILE 81 HN ILE 81 13.660 0.118 -7.352 403 H ALA 82 HN ALA 82 15.132 -0.298 -5.798 404 H LEU 83 HN LEU 83 17.148 0.628 -4.639 405 H GLU 84 HN GLU 84 16.345 2.770 -3.596 406 H LEU 85 HN LEU 85 15.055 1.898 -1.540 407 H LEU 86 HN LEU 86 16.758 1.003 -0.116 408 H MET 87 HN MET 87 17.391 3.108 1.181 409 H ALA 88 HN ALA 88 16.884 3.041 3.793 410 H ALA 89 HN ALA 89 18.939 2.363 5.015 411 H ASN 90 HN ASN 90 19.044 1.593 8.966 412 HD21 ASN 90 HD21 ASN 90 19.080 -0.624 13.378 413 HD22 ASN 90 HD22 ASN 90 18.648 -2.292 13.523 414 H PHE 91 HN PHE 91 17.318 -1.578 7.717 Start of MODEL 6 1 H1 GLY 6 HT1 GLY 6 18.448 -3.303 9.501 2 H2 GLY 6 HT2 GLY 6 17.019 -4.151 9.803 3 H3 GLY 6 HT3 GLY 6 17.314 -3.518 8.256 4 H SER 7 HN SER 7 15.907 -5.546 8.744 5 HG SER 7 HG SER 7 14.060 -7.797 9.605 6 H LEU 8 HN LEU 8 14.648 -4.583 6.442 7 H GLN 9 HN GLN 9 17.017 -4.403 5.388 8 HE21 GLN 9 HE21 GLN 9 21.543 -1.302 6.307 9 HE22 GLN 9 HE22 GLN 9 22.438 -2.142 7.521 10 H TYR 10 HN TYR 10 17.931 -6.764 4.132 11 HH TYR 10 HH TYR 10 19.133 -13.569 -0.889 12 H LEU 11 HN LEU 11 16.087 -7.276 2.926 13 H ALA 12 HN ALA 12 15.751 -5.335 0.972 14 H LEU 13 HN LEU 13 17.759 -5.767 -0.592 15 H ALA 14 HN ALA 14 17.045 -8.015 -1.564 16 H ALA 15 HN ALA 15 15.714 -7.245 -3.478 17 H LEU 16 HN LEU 16 16.227 -6.101 -5.106 18 H ILE 17 HN ILE 17 18.480 -6.420 -8.317 19 H LYS 18 HN LYS 18 20.418 -3.288 -6.434 20 HZ1 LYS 18 HZ1 LYS 18 16.958 2.954 -7.277 21 HZ2 LYS 18 HZ2 LYS 18 17.677 3.976 -8.428 22 HZ3 LYS 18 HZ3 LYS 18 17.808 4.330 -6.770 23 H LYS 20 HN LYS 20 23.794 0.960 -7.356 24 HZ1 LYS 20 HZ1 LYS 20 21.314 5.664 -11.453 25 HZ2 LYS 20 HZ2 LYS 20 20.982 5.243 -13.060 26 HZ3 LYS 20 HZ3 LYS 20 22.365 4.636 -12.302 27 H GLN 21 HN GLN 21 24.603 5.173 -8.286 28 HE21 GLN 21 HE21 GLN 21 29.590 4.938 -8.200 29 HE22 GLN 21 HE22 GLN 21 30.230 4.746 -6.608 30 H ILE 22 HN ILE 22 26.199 6.323 -4.152 31 H LYS 23 HN LYS 23 22.891 8.806 -2.901 32 HZ1 LYS 23 HZ1 LYS 23 26.843 14.410 -2.182 33 HZ2 LYS 23 HZ2 LYS 23 27.229 15.801 -3.072 34 HZ3 LYS 23 HZ3 LYS 23 27.315 14.279 -3.809 35 H LEU 26 HN LEU 26 17.258 13.426 -2.575 36 H SER 28 HN SER 28 14.723 17.969 -2.463 37 HG SER 28 HG SER 28 15.316 18.181 -5.110 38 H VAL 29 HN VAL 29 13.020 16.119 -3.177 39 H ARG 30 HN ARG 30 11.820 12.843 -3.587 40 HE ARG 30 HE ARG 30 8.261 13.132 -0.301 41 HH11 ARG 30 HH11 ARG 30 5.687 10.760 -0.531 42 HH12 ARG 30 HH12 ARG 30 4.933 11.263 0.958 43 HH21 ARG 30 HH21 ARG 30 7.222 13.817 1.628 44 HH22 ARG 30 HH22 ARG 30 5.774 13.005 2.164 45 H LYS 31 HN LYS 31 13.966 11.971 -2.690 46 HZ1 LYS 31 HZ1 LYS 31 17.290 6.791 -6.137 47 HZ2 LYS 31 HZ2 LYS 31 17.675 8.444 -6.174 48 HZ3 LYS 31 HZ3 LYS 31 18.152 7.435 -7.446 49 H LEU 32 HN LEU 32 16.482 8.446 -2.967 50 H THR 33 HN THR 33 20.224 11.125 -3.223 51 HG1 THR 33 HG1 THR 33 20.512 13.433 -3.235 52 H GLU 34 HN GLU 34 21.879 11.405 -7.459 53 H ASP 35 HN ASP 35 25.642 9.654 -6.402 54 H ARG 36 HN ARG 36 27.406 10.630 -4.741 55 HE ARG 36 HE ARG 36 30.427 7.857 -2.965 56 HH11 ARG 36 HH11 ARG 36 32.999 5.783 -4.126 57 HH12 ARG 36 HH12 ARG 36 32.386 4.365 -3.341 58 HH21 ARG 36 HH21 ARG 36 29.619 6.001 -1.922 59 HH22 ARG 36 HH22 ARG 36 30.471 4.495 -2.058 60 H TRP 37 HN TRP 37 28.837 11.573 -3.343 61 HE1 TRP 37 HE1 TRP 37 27.816 9.407 3.551 62 H1 MET 1 HT1 MET 1 -9.044 -15.869 -8.339 63 H2 MET 1 HT2 MET 1 -8.582 -17.450 -8.741 64 H3 MET 1 HT3 MET 1 -7.461 -16.400 -8.037 65 H ASP 2 HN ASP 2 -6.904 -15.566 -6.440 66 H VAL 3 HN VAL 3 -8.422 -12.273 -3.840 67 H PHE 4 HN PHE 4 -6.246 -9.073 -5.450 68 H LEU 5 HN LEU 5 -7.180 -6.354 -2.180 69 H MET 6 HN MET 6 -7.227 -2.046 -3.335 70 H ILE 7 HN ILE 7 -8.155 -0.911 0.447 71 H ARG 8 HN ARG 8 -9.201 3.064 -1.154 72 HE ARG 8 HE ARG 8 -5.097 8.327 -0.373 73 HH11 ARG 8 HH11 ARG 8 -4.405 7.475 -3.705 74 HH12 ARG 8 HH12 ARG 8 -3.664 9.000 -4.074 75 HH21 ARG 8 HH21 ARG 8 -4.120 10.336 -0.854 76 HH22 ARG 8 HH22 ARG 8 -3.492 10.627 -2.446 77 H ARG 9 HN ARG 9 -8.749 5.225 2.390 78 HE ARG 9 HE ARG 9 -10.294 7.768 6.336 79 HH11 ARG 9 HH11 ARG 9 -13.054 9.655 5.286 80 HH12 ARG 9 HH12 ARG 9 -12.408 11.172 5.843 81 HH21 ARG 9 HH21 ARG 9 -9.445 9.751 7.093 82 HH22 ARG 9 HH22 ARG 9 -10.359 11.214 6.884 83 H HIS 10 HN HIS 10 -9.231 8.303 0.428 84 HE2 HIS 10 HE2 HIS 10 -5.951 14.446 0.860 85 H LYS 11 HN LYS 11 -7.244 9.615 3.683 86 HZ1 LYS 11 HZ1 LYS 11 -1.527 15.130 3.966 87 HZ2 LYS 11 HZ2 LYS 11 -1.193 13.878 5.053 88 HZ3 LYS 11 HZ3 LYS 11 -2.541 14.873 5.296 89 H THR 12 HN THR 12 -7.265 7.753 4.267 90 HG1 THR 12 HG1 THR 12 -7.452 7.268 7.584 91 H THR 13 HN THR 13 -4.826 4.404 4.672 92 HG1 THR 13 HG1 THR 13 -3.255 4.286 3.742 93 H ILE 14 HN ILE 14 -7.114 1.165 2.622 94 H PHE 15 HN PHE 15 -5.225 -2.338 4.109 95 H THR 16 HN THR 16 -6.991 -4.592 0.648 96 HG1 THR 16 HG1 THR 16 -8.815 -3.777 1.836 97 H ASP 17 HN ASP 17 -8.125 -8.418 2.334 98 H ALA 18 HN ALA 18 -9.123 -9.880 -1.324 99 H LYS 19 HN LYS 19 -12.697 -12.153 -2.094 100 HZ1 LYS 19 HZ1 LYS 19 -7.722 -14.933 -1.252 101 HZ2 LYS 19 HZ2 LYS 19 -8.125 -14.145 0.196 102 HZ3 LYS 19 HZ3 LYS 19 -8.830 -13.652 -1.262 103 H GLU 20 HN GLU 20 -12.172 -14.272 -5.970 104 H SER 21 HN SER 21 -14.725 -14.847 -5.421 105 HG SER 21 HG SER 21 -16.575 -16.403 -6.815 106 H SER 22 HN SER 22 -15.515 -12.800 -4.088 107 HG SER 22 HG SER 22 -15.433 -13.148 -1.291 108 H THR 23 HN THR 23 -19.048 -10.776 -2.084 109 HG1 THR 23 HG1 THR 23 -20.632 -10.296 -1.378 110 H VAL 24 HN VAL 24 -19.908 -6.869 -4.354 111 H PHE 25 HN PHE 25 -21.158 -6.167 -2.172 112 H GLU 26 HN GLU 26 -19.925 -7.466 -0.275 113 H LEU 27 HN LEU 27 -17.742 -6.174 0.093 114 H LYS 28 HN LYS 28 -18.279 -3.861 1.343 115 HZ1 LYS 28 HZ1 LYS 28 -22.457 -0.419 -1.121 116 HZ2 LYS 28 HZ2 LYS 28 -21.912 1.035 -1.797 117 HZ3 LYS 28 HZ3 LYS 28 -22.610 1.033 -0.257 118 H ARG 29 HN ARG 29 -18.928 -4.925 3.663 119 HE ARG 29 HE ARG 29 -21.348 -8.214 7.291 120 HH11 ARG 29 HH11 ARG 29 -20.588 -10.136 4.460 121 HH12 ARG 29 HH12 ARG 29 -19.839 -11.409 5.369 122 HH21 ARG 29 HH21 ARG 29 -20.345 -9.881 8.482 123 HH22 ARG 29 HH22 ARG 29 -19.707 -11.269 7.658 124 H ILE 30 HN ILE 30 -16.638 -5.596 4.713 125 H VAL 31 HN VAL 31 -15.339 -3.373 5.042 126 H GLU 32 HN GLU 32 -16.910 -2.275 6.847 127 H GLY 33 HN GLY 33 -16.189 -3.590 9.087 128 H ILE 34 HN ILE 34 -14.286 -1.965 9.853 129 H LEU 35 HN LEU 35 -13.612 0.157 9.556 130 H LYS 36 HN LYS 36 -15.132 0.371 11.403 131 HZ1 LYS 36 HZ1 LYS 36 -12.719 3.180 17.084 132 HZ2 LYS 36 HZ2 LYS 36 -11.404 3.107 16.021 133 HZ3 LYS 36 HZ3 LYS 36 -11.808 1.762 16.960 134 H ARG 37 HN ARG 37 -17.446 1.652 10.474 135 HE ARG 37 HE ARG 37 -14.409 6.339 10.850 136 HH11 ARG 37 HH11 ARG 37 -16.856 8.672 9.929 137 HH12 ARG 37 HH12 ARG 37 -16.023 10.012 10.650 138 HH21 ARG 37 HH21 ARG 37 -13.331 8.090 11.806 139 HH22 ARG 37 HH22 ARG 37 -14.031 9.679 11.738 140 H ASP 40 HN ASP 40 -23.702 1.660 5.894 141 H GLU 41 HN GLU 41 -23.035 4.035 5.102 142 H GLN 42 HN GLN 42 -21.633 3.623 3.210 143 HE21 GLN 42 HE21 GLN 42 -18.724 2.054 6.554 144 HE22 GLN 42 HE22 GLN 42 -17.921 0.542 6.326 145 H ARG 43 HN ARG 43 -18.520 5.318 0.425 146 HE ARG 43 HE ARG 43 -23.316 7.824 -1.154 147 HH11 ARG 43 HH11 ARG 43 -22.741 4.543 -0.116 148 HH12 ARG 43 HH12 ARG 43 -23.953 4.579 1.130 149 HH21 ARG 43 HH21 ARG 43 -24.911 7.888 0.498 150 HH22 ARG 43 HH22 ARG 43 -25.169 6.494 1.500 151 H LEU 44 HN LEU 44 -18.839 2.594 -2.780 152 H TYR 45 HN TYR 45 -14.883 3.655 -4.400 153 HH TYR 45 HH TYR 45 -19.939 8.991 -5.359 154 H LYS 46 HN LYS 46 -15.226 2.656 -8.646 155 HZ1 LYS 46 HZ1 LYS 46 -13.164 -3.096 -12.173 156 HZ2 LYS 46 HZ2 LYS 46 -11.556 -3.081 -12.700 157 HZ3 LYS 46 HZ3 LYS 46 -12.366 -1.618 -12.427 158 H ASP 47 HN ASP 47 -11.396 2.684 -10.537 159 H ASP 48 HN ASP 48 -12.546 4.988 -10.706 160 H GLN 49 HN GLN 49 -15.031 4.397 -11.291 161 HE21 GLN 49 HE21 GLN 49 -17.280 7.187 -13.200 162 HE22 GLN 49 HE22 GLN 49 -18.894 7.780 -13.381 163 H LEU 50 HN LEU 50 -19.398 4.501 -10.284 164 H LEU 51 HN LEU 51 -18.731 1.625 -6.758 165 H ASP 52 HN ASP 52 -20.189 -2.432 -8.331 166 H ASP 53 HN ASP 53 -23.106 -2.212 -5.233 167 H GLY 54 HN GLY 54 -24.743 -4.616 -5.462 168 H LYS 55 HN LYS 55 -22.814 -6.139 -6.632 169 HZ1 LYS 55 HZ1 LYS 55 -25.072 -4.580 -12.211 170 HZ2 LYS 55 HZ2 LYS 55 -24.533 -5.061 -10.679 171 HZ3 LYS 55 HZ3 LYS 55 -25.536 -6.080 -11.588 172 H THR 56 HN THR 56 -20.645 -9.661 -8.478 173 HG1 THR 56 HG1 THR 56 -19.981 -11.350 -9.057 174 H LEU 57 HN LEU 57 -16.700 -9.871 -6.207 175 H GLY 58 HN GLY 58 -15.697 -10.930 -8.497 176 H GLU 59 HN GLU 59 -17.466 -9.963 -10.347 177 H CYS 60 HN CYS 60 -16.436 -7.704 -10.669 178 HG CYS 60 HG CYS 60 -18.217 -6.568 -8.740 179 H GLY 61 HN GLY 61 -15.021 -7.400 -12.544 180 H PHE 62 HN PHE 62 -13.309 -7.539 -10.827 181 H THR 63 HN THR 63 -9.656 -8.231 -11.764 182 HG1 THR 63 HG1 THR 63 -9.397 -9.305 -14.656 183 H SER 64 HN SER 64 -7.744 -12.279 -10.957 184 HG SER 64 HG SER 64 -6.783 -13.170 -8.251 185 H GLN 65 HN GLN 65 -6.180 -11.016 -12.654 186 HE21 GLN 65 HE21 GLN 65 -3.826 -13.339 -13.357 187 HE22 GLN 65 HE22 GLN 65 -2.187 -13.566 -13.862 188 H THR 66 HN THR 66 -5.897 -8.630 -12.381 189 HG1 THR 66 HG1 THR 66 -7.422 -7.126 -13.792 190 H ALA 67 HN ALA 67 -6.106 -7.830 -10.376 191 H ARG 68 HN ARG 68 -2.708 -7.087 -8.607 192 HE ARG 68 HE ARG 68 -1.384 -8.371 -12.986 193 HH11 ARG 68 HH11 ARG 68 1.831 -9.748 -12.672 194 HH12 ARG 68 HH12 ARG 68 1.885 -10.293 -14.315 195 HH21 ARG 68 HH21 ARG 68 -1.283 -9.045 -15.152 196 HH22 ARG 68 HH22 ARG 68 0.124 -9.881 -15.731 197 H GLN 70 HN GLN 70 1.086 -8.525 -6.453 198 HE21 GLN 70 HE21 GLN 70 5.177 -9.169 -7.420 199 HE22 GLN 70 HE22 GLN 70 5.961 -9.271 -8.954 200 H ALA 71 HN ALA 71 0.025 -6.598 -6.173 201 H ALA 73 HN ALA 73 -5.694 -4.634 -6.132 202 H THR 74 HN THR 74 -5.893 -0.288 -7.226 203 HG1 THR 74 HG1 THR 74 -4.368 0.772 -6.171 204 H VAL 75 HN VAL 75 -8.506 0.979 -3.790 205 H GLY 76 HN GLY 76 -11.726 3.558 -5.155 206 H LEU 77 HN LEU 77 -11.787 5.451 -1.039 207 H ALA 78 HN ALA 78 -15.922 6.110 -0.862 208 H PHE 79 HN PHE 79 -16.173 9.011 2.420 209 H ARG 80 HN ARG 80 -20.409 8.477 2.862 210 HE ARG 80 HE ARG 80 -25.059 9.580 2.731 211 HH11 ARG 80 HH11 ARG 80 -26.251 10.832 -0.322 212 HH12 ARG 80 HH12 ARG 80 -27.665 9.828 -0.321 213 HH21 ARG 80 HH21 ARG 80 -26.898 8.241 2.710 214 HH22 ARG 80 HH22 ARG 80 -28.046 8.368 1.405 215 H ALA 81 HN ALA 81 -20.395 12.660 4.272 216 H ASP 82 HN ASP 82 -23.168 13.525 7.446 217 H ASP 83 HN ASP 83 -23.278 17.773 5.757 218 H THR 84 HN THR 84 -20.694 16.813 6.302 219 HG1 THR 84 HG1 THR 84 -19.660 16.324 8.083 220 H PHE 85 HN PHE 85 -17.628 18.854 4.435 221 H GLU 86 HN GLU 86 -16.082 16.775 4.013 222 H ALA 87 HN ALA 87 -16.769 14.580 2.640 223 H LEU 88 HN LEU 88 -17.088 15.329 0.042 224 H CYS 89 HN CYS 89 -14.648 15.102 -0.633 225 HG CYS 89 HG CYS 89 -14.473 17.403 0.015 226 H ILE 90 HN ILE 90 -13.587 13.281 -0.900 227 H GLU 91 HN GLU 91 -14.561 12.097 -2.557 228 H PHE 93 HN PHE 93 -15.491 10.152 -7.578 229 H SER 94 HN SER 94 -15.683 12.669 -7.444 230 HG SER 94 HG SER 94 -18.209 13.709 -6.406 231 H SER 95 HN SER 95 -13.891 13.808 -7.027 232 HG SER 95 HG SER 95 -13.144 17.183 -6.573 233 H GLU 98 HN GLU 98 -6.275 11.658 -4.962 234 H LEU 99 HN LEU 99 -2.993 13.922 -6.588 235 H ASP 101 HN ASP 101 2.251 17.279 -6.665 236 H VAL 102 HN VAL 102 4.922 16.892 -6.708 237 H MET 103 HN MET 103 4.879 14.372 -7.318 238 H LYS 104 HN LYS 104 5.629 13.648 -9.982 239 HZ1 LYS 104 HZ1 LYS 104 -0.049 17.034 -14.116 240 HZ2 LYS 104 HZ2 LYS 104 0.479 16.867 -15.710 241 HZ3 LYS 104 HZ3 LYS 104 1.533 17.466 -14.531 242 H GLN 106 HN GLN 106 6.373 10.643 -13.307 243 HE21 GLN 106 HE21 GLN 106 8.712 11.818 -8.883 244 HE22 GLN 106 HE22 GLN 106 8.176 10.871 -7.537 245 H ASP 107 HN ASP 107 9.420 7.535 -14.083 246 H SER 108 HN SER 108 6.612 4.440 -16.030 247 HG SER 108 HG SER 108 4.448 4.945 -15.692 248 H GLY 109 HN GLY 109 6.059 1.836 -12.362 249 H SER 110 HN SER 110 7.109 -1.941 -11.596 250 HG SER 110 HG SER 110 7.311 -3.460 -10.623 251 H SER 111 HN SER 111 5.250 -2.933 -10.519 252 HG SER 111 HG SER 111 3.826 -4.572 -7.654 253 H ALA 112 HN ALA 112 0.642 -3.121 -10.459 254 H ASN 113 HN ASN 113 0.361 1.142 -11.922 255 HD21 ASN 113 HD21 ASN 113 0.421 4.044 -7.343 256 HD22 ASN 113 HD22 ASN 113 -0.266 5.598 -7.655 257 H GLU 114 HN GLU 114 2.620 1.013 -10.721 258 H GLN 115 HN GLN 115 5.282 3.601 -8.256 259 HE21 GLN 115 HE21 GLN 115 3.964 8.436 -10.338 260 HE22 GLN 115 HE22 GLN 115 3.526 9.612 -9.147 261 H ALA 116 HN ALA 116 7.971 5.093 -11.421 262 H VAL 117 HN VAL 117 10.721 6.177 -8.673 263 H GLN 118 HN GLN 118 12.186 9.632 -11.229 264 HE21 GLN 118 HE21 GLN 118 13.644 6.807 -13.687 265 HE22 GLN 118 HE22 GLN 118 11.979 6.354 -13.613 266 H1 VAL 1 HN VAL 1 -3.270 -4.870 12.083 267 H LYS 2 HN LYS 2 -1.926 -0.748 12.879 268 HZ1 LYS 2 HZ1 LYS 2 -4.373 4.947 13.630 269 HZ2 LYS 2 HZ2 LYS 2 -6.048 5.197 13.544 270 HZ3 LYS 2 HZ3 LYS 2 -5.076 5.578 12.213 271 H LEU 3 HN LEU 3 -0.633 0.832 9.207 272 H ILE 4 HN ILE 4 1.836 3.885 11.077 273 H SER 5 HN SER 5 1.759 6.891 7.873 274 HG SER 5 HG SER 5 1.998 6.768 5.896 275 H SER 6 HN SER 6 5.760 9.087 7.675 276 HG SER 6 HG SER 6 7.620 10.673 6.731 277 H ASP 7 HN ASP 7 3.826 10.335 6.287 278 H GLY 8 HN GLY 8 1.912 10.884 7.576 279 H HIS 9 HN HIS 9 0.597 9.413 6.281 280 HD1 HIS 9 HD1 HIS 9 -1.868 5.997 2.947 281 H GLU 10 HN GLU 10 -3.124 6.989 6.235 282 H PHE 11 HN PHE 11 -1.360 3.136 7.729 283 H ILE 12 HN ILE 12 -4.095 0.652 6.039 284 H VAL 13 HN VAL 13 -2.649 -2.844 8.249 285 H LYS 14 HN LYS 14 -3.817 -6.136 5.551 286 HZ1 LYS 14 HZ1 LYS 14 -8.497 -12.881 4.294 287 HZ2 LYS 14 HZ2 LYS 14 -6.854 -12.738 3.904 288 HZ3 LYS 14 HZ3 LYS 14 -7.992 -11.708 3.183 289 H ARG 15 HN ARG 15 -5.118 -8.452 9.264 290 HE ARG 15 HE ARG 15 -2.782 -11.428 14.904 291 HH11 ARG 15 HH11 ARG 15 -5.727 -12.726 13.534 292 HH12 ARG 15 HH12 ARG 15 -5.576 -14.259 14.334 293 HH21 ARG 15 HH21 ARG 15 -2.576 -13.437 15.957 294 HH22 ARG 15 HH22 ARG 15 -3.779 -14.665 15.716 295 H GLU 16 HN GLU 16 -4.649 -10.933 8.188 296 H HIS 17 HN HIS 17 -2.504 -10.764 6.428 297 HE2 HIS 17 HE2 HIS 17 -3.625 -11.542 1.481 298 H ALA 18 HN ALA 18 -0.860 -9.641 7.683 299 H LEU 19 HN LEU 19 -0.166 -11.656 9.448 300 H THR 20 HN THR 20 1.643 -13.269 8.193 301 HG1 THR 20 HG1 THR 20 1.303 -14.253 6.066 302 H SER 21 HN SER 21 3.641 -11.563 7.641 303 HG SER 21 HG SER 21 3.347 -8.920 6.874 304 H GLY 22 HN GLY 22 4.345 -11.066 10.145 305 H THR 23 HN THR 23 5.807 -13.144 10.540 306 HG1 THR 23 HG1 THR 23 4.610 -14.858 10.943 307 H ILE 24 HN ILE 24 7.947 -12.903 9.771 308 H LYS 25 HN LYS 25 12.558 -12.843 9.775 309 HZ1 LYS 25 HZ1 LYS 25 19.482 -10.796 13.989 310 HZ2 LYS 25 HZ2 LYS 25 19.433 -11.270 12.370 311 HZ3 LYS 25 HZ3 LYS 25 18.862 -12.311 13.572 312 H ALA 26 HN ALA 26 11.259 -9.634 11.939 313 H MET 27 HN MET 27 11.847 -5.261 11.069 314 H LEU 28 HN LEU 28 11.586 -6.347 13.995 315 H SER 29 HN SER 29 13.007 -6.215 16.048 316 HG SER 29 HG SER 29 14.246 -8.626 17.420 317 H GLY 30 HN GLY 30 13.330 -3.684 16.244 318 H GLY 32 HN GLY 32 13.410 1.221 21.452 319 H GLN 33 HN GLN 33 11.446 0.270 23.660 320 HE21 GLN 33 HE21 GLN 33 8.364 -3.786 27.946 321 HE22 GLN 33 HE22 GLN 33 8.054 -2.668 29.229 322 H PHE 34 HN PHE 34 9.334 -3.225 22.531 323 H ALA 35 HN ALA 35 6.053 -0.938 22.759 324 H GLU 36 HN GLU 36 2.297 -3.319 23.969 325 H ASN 37 HN ASN 37 1.242 -1.020 22.917 326 HD21 ASN 37 HD21 ASN 37 -1.523 2.294 23.352 327 HD22 ASN 37 HD22 ASN 37 -1.394 1.756 24.990 328 H GLU 38 HN GLU 38 2.680 0.139 20.854 329 H THR 39 HN THR 39 2.189 -1.916 19.453 330 HG1 THR 39 HG1 THR 39 3.583 -3.479 19.504 331 H ASN 40 HN ASN 40 0.028 -1.799 18.189 332 HD21 ASN 40 HD21 ASN 40 -1.794 -2.882 19.785 333 HD22 ASN 40 HD22 ASN 40 -2.605 -4.411 19.826 334 H GLU 41 HN GLU 41 -0.122 0.088 17.035 335 H VAL 42 HN VAL 42 1.352 1.044 13.607 336 H ASN 43 HN ASN 43 4.650 3.779 14.997 337 HD21 ASN 43 HD21 ASN 43 2.159 7.524 13.940 338 HD22 ASN 43 HD22 ASN 43 2.732 9.088 13.477 339 H PHE 44 HN PHE 44 4.984 5.790 11.221 340 H ARG 45 HN ARG 45 8.975 7.197 11.837 341 HE ARG 45 HE ARG 45 6.601 9.017 15.216 342 HH11 ARG 45 HH11 ARG 45 8.671 11.484 16.562 343 HH12 ARG 45 HH12 ARG 45 7.752 11.648 18.024 344 HH21 ARG 45 HH21 ARG 45 5.377 9.226 17.143 345 HH22 ARG 45 HH22 ARG 45 5.880 10.357 18.358 346 H GLU 46 HN GLU 46 9.433 10.905 9.278 347 H ILE 47 HN ILE 47 9.178 8.978 7.670 348 H SER 49 HN SER 49 4.920 9.125 2.629 349 HG SER 49 HG SER 49 3.328 9.741 1.898 350 H HIS 50 HN HIS 50 5.050 8.030 0.202 351 HE2 HIS 50 HE2 HIS 50 2.805 9.912 -4.418 352 H VAL 51 HN VAL 51 7.521 6.315 -0.043 353 H LEU 52 HN LEU 52 6.752 4.636 1.820 354 H SER 53 HN SER 53 4.728 3.419 0.738 355 HG SER 53 HG SER 53 2.928 4.255 0.359 356 H LYS 54 HN LYS 54 5.755 1.734 -1.119 357 HZ1 LYS 54 HZ1 LYS 54 8.473 -1.357 -6.868 358 HZ2 LYS 54 HZ2 LYS 54 8.184 -2.361 -5.535 359 HZ3 LYS 54 HZ3 LYS 54 9.501 -2.666 -6.546 360 H VAL 55 HN VAL 55 6.896 0.059 0.470 361 H CYS 56 HN CYS 56 4.956 -1.182 1.811 362 HG CYS 56 HG CYS 56 4.009 0.045 3.326 363 H MET 57 HN MET 57 3.805 -2.480 -0.259 364 H TYR 58 HN TYR 58 5.715 -4.131 -0.892 365 HH TYR 58 HH TYR 58 13.045 -8.585 -1.628 366 H PHE 59 HN PHE 59 5.892 -5.796 1.183 367 H THR 60 HN THR 60 3.504 -6.991 1.053 368 HG1 THR 60 HG1 THR 60 1.731 -6.142 1.258 369 H TYR 61 HN TYR 61 3.777 -8.381 -1.285 370 HH TYR 61 HH TYR 61 7.292 -13.111 -7.483 371 H LYS 62 HN LYS 62 5.767 -9.995 -0.624 372 HZ1 LYS 62 HZ1 LYS 62 12.743 -12.219 -1.913 373 HZ2 LYS 62 HZ2 LYS 62 12.045 -10.691 -1.729 374 HZ3 LYS 62 HZ3 LYS 62 11.339 -11.830 -2.774 375 H VAL 63 HN VAL 63 4.561 -11.551 1.239 376 H ARG 64 HN ARG 64 2.763 -13.116 -0.207 377 HE ARG 64 HE ARG 64 -2.318 -13.347 0.313 378 HH11 ARG 64 HH11 ARG 64 -2.118 -16.204 -1.705 379 HH12 ARG 64 HH12 ARG 64 -3.830 -16.289 -1.981 380 HH21 ARG 64 HH21 ARG 64 -4.582 -13.453 -0.039 381 HH22 ARG 64 HH22 ARG 64 -5.229 -14.749 -1.014 382 H TYR 65 HN TYR 65 4.353 -14.166 -1.832 383 HH TYR 65 HH TYR 65 12.028 -16.389 -4.784 384 H THR 66 HN THR 66 5.994 -15.857 -0.336 385 HG1 THR 66 HG1 THR 66 7.467 -15.233 0.810 386 H ASN 67 HN ASN 67 4.442 -18.130 -0.764 387 HD21 ASN 67 HD21 ASN 67 0.164 -19.359 0.058 388 HD22 ASN 67 HD22 ASN 67 -0.587 -20.095 1.434 389 H SER 68 HN SER 68 2.365 -18.717 -1.654 390 HG SER 68 HG SER 68 -1.150 -19.452 -1.670 391 H SER 69 HN SER 69 2.555 -18.081 -3.292 392 HG SER 69 HG SER 69 0.762 -16.789 -5.271 393 H THR 70 HN THR 70 4.395 -20.029 -4.843 394 HG1 THR 70 HG1 THR 70 6.202 -19.653 -3.065 395 H GLU 71 HN GLU 71 4.541 -20.200 -7.189 396 H ILE 72 HN ILE 72 5.549 -18.376 -8.675 397 H GLU 74 HN GLU 74 11.917 -14.576 -8.968 398 H PHE 75 HN PHE 75 10.561 -11.021 -6.390 399 H ILE 77 HN ILE 77 13.068 -8.069 -11.830 400 H ALA 78 HN ALA 78 11.917 -4.803 -11.729 401 H GLU 80 HN GLU 80 13.555 1.231 -11.006 402 H ILE 81 HN ILE 81 12.877 1.535 -8.426 403 H ALA 82 HN ALA 82 15.254 0.992 -5.553 404 H LEU 83 HN LEU 83 16.813 0.564 -4.810 405 H GLU 84 HN GLU 84 16.280 2.496 -3.421 406 H LEU 85 HN LEU 85 15.166 1.652 -1.247 407 H LEU 86 HN LEU 86 16.872 0.602 -0.008 408 H MET 87 HN MET 87 18.017 2.525 1.109 409 H ALA 88 HN ALA 88 17.221 2.743 3.579 410 H ALA 89 HN ALA 89 18.587 1.383 5.307 411 H ASN 90 HN ASN 90 18.246 2.049 8.856 412 HD21 ASN 90 HD21 ASN 90 15.919 2.598 13.080 413 HD22 ASN 90 HD22 ASN 90 16.343 1.544 14.384 414 H PHE 91 HN PHE 91 17.021 -0.830 8.201 Start of MODEL 7 1 H1 GLY 6 HT1 GLY 6 19.127 -4.192 7.843 2 H2 GLY 6 HT2 GLY 6 18.524 -3.378 9.197 3 H3 GLY 6 HT3 GLY 6 17.526 -3.624 7.849 4 H SER 7 HN SER 7 15.329 -5.490 8.786 5 HG SER 7 HG SER 7 13.491 -4.830 8.270 6 H LEU 8 HN LEU 8 14.143 -4.555 6.334 7 H GLN 9 HN GLN 9 16.560 -4.157 5.450 8 HE21 GLN 9 HE21 GLN 9 22.758 -5.352 5.200 9 HE22 GLN 9 HE22 GLN 9 22.959 -5.527 6.909 10 H TYR 10 HN TYR 10 17.250 -6.533 4.247 11 HH TYR 10 HH TYR 10 19.644 -14.064 0.910 12 H LEU 11 HN LEU 11 15.735 -7.388 3.127 13 H ALA 12 HN ALA 12 15.272 -5.575 1.094 14 H LEU 13 HN LEU 13 17.308 -6.007 -0.309 15 H ALA 14 HN ALA 14 16.998 -8.215 -1.557 16 H ALA 15 HN ALA 15 15.781 -7.337 -3.537 17 H LEU 16 HN LEU 16 16.510 -6.287 -5.174 18 H ILE 17 HN ILE 17 18.826 -6.368 -8.098 19 H LYS 18 HN LYS 18 20.312 -3.129 -6.400 20 HZ1 LYS 18 HZ1 LYS 18 17.107 3.173 -7.395 21 HZ2 LYS 18 HZ2 LYS 18 17.652 3.746 -8.898 22 HZ3 LYS 18 HZ3 LYS 18 18.052 4.573 -7.472 23 H LYS 20 HN LYS 20 23.324 0.938 -7.529 24 HZ1 LYS 20 HZ1 LYS 20 22.303 5.165 -13.583 25 HZ2 LYS 20 HZ2 LYS 20 23.377 4.588 -12.414 26 HZ3 LYS 20 HZ3 LYS 20 22.603 6.080 -12.185 27 H GLN 21 HN GLN 21 25.229 5.057 -7.822 28 HE21 GLN 21 HE21 GLN 21 29.866 4.075 -5.379 29 HE22 GLN 21 HE22 GLN 21 29.716 4.200 -3.664 30 H ILE 22 HN ILE 22 26.059 5.972 -3.410 31 H LYS 23 HN LYS 23 22.672 8.701 -2.331 32 HZ1 LYS 23 HZ1 LYS 23 26.804 14.194 -2.008 33 HZ2 LYS 23 HZ2 LYS 23 27.205 15.639 -2.796 34 HZ3 LYS 23 HZ3 LYS 23 27.413 14.160 -3.596 35 H LEU 26 HN LEU 26 16.795 13.376 -2.619 36 H SER 28 HN SER 28 14.332 18.188 -2.671 37 HG SER 28 HG SER 28 14.662 19.913 -4.302 38 H VAL 29 HN VAL 29 12.856 16.139 -3.099 39 H ARG 30 HN ARG 30 11.324 12.498 -3.448 40 HE ARG 30 HE ARG 30 8.786 13.624 -0.469 41 HH11 ARG 30 HH11 ARG 30 5.952 11.867 0.608 42 HH12 ARG 30 HH12 ARG 30 5.540 13.016 1.836 43 HH21 ARG 30 HH21 ARG 30 8.239 15.157 1.143 44 HH22 ARG 30 HH22 ARG 30 6.836 14.896 2.130 45 H LYS 31 HN LYS 31 13.939 11.821 -2.475 46 HZ1 LYS 31 HZ1 LYS 31 17.356 6.870 -6.272 47 HZ2 LYS 31 HZ2 LYS 31 17.618 8.548 -6.316 48 HZ3 LYS 31 HZ3 LYS 31 18.026 7.590 -7.650 49 H LEU 32 HN LEU 32 16.530 8.393 -2.877 50 H THR 33 HN THR 33 20.254 11.099 -3.140 51 HG1 THR 33 HG1 THR 33 20.520 13.349 -3.129 52 H GLU 34 HN GLU 34 21.858 11.407 -7.392 53 H ASP 35 HN ASP 35 25.330 9.603 -6.023 54 H ARG 36 HN ARG 36 27.291 10.800 -4.249 55 HE ARG 36 HE ARG 36 29.911 7.917 -2.366 56 HH11 ARG 36 HH11 ARG 36 32.451 5.516 -2.607 57 HH12 ARG 36 HH12 ARG 36 31.772 4.497 -1.373 58 HH21 ARG 36 HH21 ARG 36 29.014 6.586 -0.770 59 HH22 ARG 36 HH22 ARG 36 29.802 5.103 -0.335 60 H TRP 37 HN TRP 37 28.894 11.713 -2.819 61 HE1 TRP 37 HE1 TRP 37 28.930 7.877 2.933 62 H1 MET 1 HT1 MET 1 -7.761 -15.864 -8.208 63 H2 MET 1 HT2 MET 1 -9.125 -15.483 -9.137 64 H3 MET 1 HT3 MET 1 -8.532 -17.071 -9.103 65 H ASP 2 HN ASP 2 -7.373 -15.759 -6.362 66 H VAL 3 HN VAL 3 -8.772 -12.245 -3.790 67 H PHE 4 HN PHE 4 -6.614 -9.029 -5.492 68 H LEU 5 HN LEU 5 -7.386 -6.349 -2.262 69 H MET 6 HN MET 6 -7.314 -2.027 -3.386 70 H ILE 7 HN ILE 7 -8.250 -0.945 0.403 71 H ARG 8 HN ARG 8 -9.085 2.952 -1.292 72 HE ARG 8 HE ARG 8 -5.157 8.314 -0.734 73 HH11 ARG 8 HH11 ARG 8 -4.601 7.482 -4.104 74 HH12 ARG 8 HH12 ARG 8 -3.813 8.982 -4.472 75 HH21 ARG 8 HH21 ARG 8 -4.108 10.285 -1.221 76 HH22 ARG 8 HH22 ARG 8 -3.521 10.573 -2.830 77 H ARG 9 HN ARG 9 -8.698 5.045 2.256 78 HE ARG 9 HE ARG 9 -9.813 7.817 6.207 79 HH11 ARG 9 HH11 ARG 9 -12.771 9.499 5.427 80 HH12 ARG 9 HH12 ARG 9 -12.170 11.073 5.855 81 HH21 ARG 9 HH21 ARG 9 -9.007 9.885 6.817 82 HH22 ARG 9 HH22 ARG 9 -10.023 11.283 6.646 83 H HIS 10 HN HIS 10 -9.161 8.149 0.309 84 HE2 HIS 10 HE2 HIS 10 -6.024 14.333 0.463 85 H LYS 11 HN LYS 11 -7.173 9.453 3.522 86 HZ1 LYS 11 HZ1 LYS 11 -0.636 14.335 3.699 87 HZ2 LYS 11 HZ2 LYS 11 -0.855 13.450 5.121 88 HZ3 LYS 11 HZ3 LYS 11 -1.996 14.611 4.662 89 H THR 12 HN THR 12 -7.176 7.528 3.993 90 HG1 THR 12 HG1 THR 12 -7.553 7.123 7.277 91 H THR 13 HN THR 13 -4.705 4.289 4.331 92 HG1 THR 13 HG1 THR 13 -3.024 4.368 1.137 93 H ILE 14 HN ILE 14 -7.276 1.255 2.644 94 H PHE 15 HN PHE 15 -5.164 -2.297 3.960 95 H THR 16 HN THR 16 -7.095 -4.433 0.584 96 HG1 THR 16 HG1 THR 16 -8.850 -3.675 1.876 97 H ASP 17 HN ASP 17 -7.745 -8.212 2.310 98 H ALA 18 HN ALA 18 -9.081 -9.929 -1.239 99 H LYS 19 HN LYS 19 -12.655 -12.293 -1.597 100 HZ1 LYS 19 HZ1 LYS 19 -7.766 -14.680 -0.946 101 HZ2 LYS 19 HZ2 LYS 19 -8.142 -14.114 0.610 102 HZ3 LYS 19 HZ3 LYS 19 -9.010 -13.553 -0.730 103 H GLU 20 HN GLU 20 -11.983 -14.208 -5.563 104 H SER 21 HN SER 21 -14.566 -14.991 -5.031 105 HG SER 21 HG SER 21 -15.279 -17.384 -3.577 106 H SER 22 HN SER 22 -15.631 -12.955 -3.826 107 HG SER 22 HG SER 22 -15.608 -13.478 -1.559 108 H THR 23 HN THR 23 -19.098 -10.668 -1.878 109 HG1 THR 23 HG1 THR 23 -20.652 -10.376 -1.422 110 H VAL 24 HN VAL 24 -19.845 -6.907 -4.373 111 H PHE 25 HN PHE 25 -21.136 -5.950 -2.285 112 H GLU 26 HN GLU 26 -19.961 -7.253 -0.281 113 H LEU 27 HN LEU 27 -17.757 -5.990 0.141 114 H LYS 28 HN LYS 28 -18.306 -3.749 1.372 115 HZ1 LYS 28 HZ1 LYS 28 -22.578 -0.450 -1.310 116 HZ2 LYS 28 HZ2 LYS 28 -22.147 1.129 -1.747 117 HZ3 LYS 28 HZ3 LYS 28 -22.810 0.831 -0.224 118 H ARG 29 HN ARG 29 -19.037 -4.749 3.672 119 HE ARG 29 HE ARG 29 -21.185 -8.259 6.791 120 HH11 ARG 29 HH11 ARG 29 -22.113 -10.027 3.911 121 HH12 ARG 29 HH12 ARG 29 -22.218 -11.549 4.728 122 HH21 ARG 29 HH21 ARG 29 -21.339 -10.275 7.870 123 HH22 ARG 29 HH22 ARG 29 -21.803 -11.689 6.975 124 H ILE 30 HN ILE 30 -16.780 -5.585 4.799 125 H VAL 31 HN VAL 31 -15.322 -3.346 5.042 126 H GLU 32 HN GLU 32 -16.906 -2.199 6.844 127 H GLY 33 HN GLY 33 -16.183 -3.398 9.151 128 H ILE 34 HN ILE 34 -14.121 -2.225 9.680 129 H LEU 35 HN LEU 35 -13.653 0.150 9.526 130 H LYS 36 HN LYS 36 -15.173 0.425 11.352 131 HZ1 LYS 36 HZ1 LYS 36 -12.327 1.856 17.743 132 HZ2 LYS 36 HZ2 LYS 36 -11.895 0.260 18.096 133 HZ3 LYS 36 HZ3 LYS 36 -13.440 0.824 18.488 134 H ARG 37 HN ARG 37 -17.080 1.950 10.330 135 HE ARG 37 HE ARG 37 -15.167 7.682 10.270 136 HH11 ARG 37 HH11 ARG 37 -18.502 8.616 9.748 137 HH12 ARG 37 HH12 ARG 37 -18.303 10.193 10.440 138 HH21 ARG 37 HH21 ARG 37 -14.911 9.775 11.185 139 HH22 ARG 37 HH22 ARG 37 -16.274 10.848 11.251 140 H ASP 40 HN ASP 40 -23.818 1.860 5.847 141 H GLU 41 HN GLU 41 -23.067 4.322 5.001 142 H GLN 42 HN GLN 42 -21.656 3.727 2.939 143 HE21 GLN 42 HE21 GLN 42 -18.932 1.778 6.439 144 HE22 GLN 42 HE22 GLN 42 -18.068 0.305 6.173 145 H ARG 43 HN ARG 43 -18.429 5.511 0.458 146 HE ARG 43 HE ARG 43 -23.370 7.602 -1.859 147 HH11 ARG 43 HH11 ARG 43 -22.419 4.767 -0.041 148 HH12 ARG 43 HH12 ARG 43 -23.696 4.930 1.127 149 HH21 ARG 43 HH21 ARG 43 -25.042 7.825 -0.312 150 HH22 ARG 43 HH22 ARG 43 -25.154 6.697 1.008 151 H LEU 44 HN LEU 44 -18.716 2.821 -2.825 152 H TYR 45 HN TYR 45 -14.883 3.969 -4.427 153 HH TYR 45 HH TYR 45 -19.737 9.307 -5.049 154 H LYS 46 HN LYS 46 -15.203 2.646 -8.547 155 HZ1 LYS 46 HZ1 LYS 46 -13.243 -1.512 -12.508 156 HZ2 LYS 46 HZ2 LYS 46 -11.874 -2.309 -13.097 157 HZ3 LYS 46 HZ3 LYS 46 -11.714 -0.795 -12.347 158 H ASP 47 HN ASP 47 -11.262 2.851 -10.261 159 H ASP 48 HN ASP 48 -12.385 5.189 -10.597 160 H GLN 49 HN GLN 49 -14.925 4.471 -11.065 161 HE21 GLN 49 HE21 GLN 49 -17.172 7.220 -13.189 162 HE22 GLN 49 HE22 GLN 49 -18.786 7.770 -13.488 163 H LEU 50 HN LEU 50 -19.323 4.647 -10.305 164 H LEU 51 HN LEU 51 -18.899 1.536 -6.955 165 H ASP 52 HN ASP 52 -20.616 -2.371 -8.617 166 H ASP 53 HN ASP 53 -23.615 -2.204 -5.409 167 H GLY 54 HN GLY 54 -24.748 -4.645 -5.911 168 H LYS 55 HN LYS 55 -22.759 -6.061 -6.747 169 HZ1 LYS 55 HZ1 LYS 55 -23.770 -3.735 -11.852 170 HZ2 LYS 55 HZ2 LYS 55 -24.248 -4.985 -10.818 171 HZ3 LYS 55 HZ3 LYS 55 -24.935 -4.846 -12.357 172 H THR 56 HN THR 56 -20.556 -9.648 -8.432 173 HG1 THR 56 HG1 THR 56 -19.918 -11.213 -8.972 174 H LEU 57 HN LEU 57 -16.676 -9.961 -6.072 175 H GLY 58 HN GLY 58 -15.591 -11.081 -8.303 176 H GLU 59 HN GLU 59 -17.392 -10.365 -10.254 177 H CYS 60 HN CYS 60 -16.846 -7.851 -10.455 178 HG CYS 60 HG CYS 60 -18.242 -6.740 -8.709 179 H GLY 61 HN GLY 61 -15.015 -7.753 -12.211 180 H PHE 62 HN PHE 62 -13.322 -7.627 -10.740 181 H THR 63 HN THR 63 -9.982 -8.409 -12.129 182 HG1 THR 63 HG1 THR 63 -8.665 -8.581 -13.491 183 H SER 64 HN SER 64 -7.961 -12.474 -11.381 184 HG SER 64 HG SER 64 -6.874 -14.995 -10.825 185 H GLN 65 HN GLN 65 -6.102 -11.301 -12.982 186 HE21 GLN 65 HE21 GLN 65 -3.885 -13.458 -13.651 187 HE22 GLN 65 HE22 GLN 65 -2.156 -13.518 -13.575 188 H THR 66 HN THR 66 -6.097 -8.856 -12.390 189 HG1 THR 66 HG1 THR 66 -7.395 -6.839 -14.185 190 H ALA 67 HN ALA 67 -6.383 -8.180 -10.224 191 H ARG 68 HN ARG 68 -3.055 -7.090 -8.029 192 HE ARG 68 HE ARG 68 -1.306 -8.785 -12.751 193 HH11 ARG 68 HH11 ARG 68 2.012 -8.206 -11.782 194 HH12 ARG 68 HH12 ARG 68 2.683 -8.785 -13.274 195 HH21 ARG 68 HH21 ARG 68 -0.416 -9.549 -14.721 196 HH22 ARG 68 HH22 ARG 68 1.303 -9.531 -14.947 197 H GLN 70 HN GLN 70 0.932 -8.638 -6.283 198 HE21 GLN 70 HE21 GLN 70 4.687 -10.179 -8.501 199 HE22 GLN 70 HE22 GLN 70 4.839 -9.691 -10.151 200 H ALA 71 HN ALA 71 0.051 -6.712 -6.298 201 H ALA 73 HN ALA 73 -5.873 -4.494 -6.004 202 H THR 74 HN THR 74 -5.668 -0.229 -6.910 203 HG1 THR 74 HG1 THR 74 -4.044 2.057 -6.626 204 H VAL 75 HN VAL 75 -8.621 0.870 -3.752 205 H GLY 76 HN GLY 76 -11.636 3.749 -5.230 206 H LEU 77 HN LEU 77 -11.649 5.410 -1.032 207 H ALA 78 HN ALA 78 -15.675 6.375 -0.982 208 H PHE 79 HN PHE 79 -15.927 9.099 2.444 209 H ARG 80 HN ARG 80 -20.260 8.510 2.673 210 HE ARG 80 HE ARG 80 -24.842 9.785 1.918 211 HH11 ARG 80 HH11 ARG 80 -25.951 10.888 -1.227 212 HH12 ARG 80 HH12 ARG 80 -27.595 10.400 -0.951 213 HH21 ARG 80 HH21 ARG 80 -26.987 9.173 2.283 214 HH22 ARG 80 HH22 ARG 80 -28.195 9.450 1.065 215 H ALA 81 HN ALA 81 -19.792 12.032 4.326 216 H ASP 82 HN ASP 82 -23.142 13.151 7.043 217 H ASP 83 HN ASP 83 -23.177 17.704 6.232 218 H THR 84 HN THR 84 -20.720 16.970 6.039 219 HG1 THR 84 HG1 THR 84 -19.627 15.816 7.912 220 H PHE 85 HN PHE 85 -16.826 18.559 4.889 221 H GLU 86 HN GLU 86 -15.749 16.774 4.147 222 H ALA 87 HN ALA 87 -16.761 14.979 2.516 223 H LEU 88 HN LEU 88 -16.858 15.700 -0.253 224 H CYS 89 HN CYS 89 -14.401 15.387 -0.566 225 HG CYS 89 HG CYS 89 -13.853 17.540 0.599 226 H ILE 90 HN ILE 90 -13.476 13.257 -0.791 227 H GLU 91 HN GLU 91 -14.376 12.312 -2.517 228 H PHE 93 HN PHE 93 -15.342 10.382 -7.370 229 H SER 94 HN SER 94 -15.776 12.776 -7.516 230 HG SER 94 HG SER 94 -17.467 13.760 -5.950 231 H SER 95 HN SER 95 -13.986 13.981 -7.163 232 HG SER 95 HG SER 95 -13.679 16.005 -5.171 233 H GLU 98 HN GLU 98 -6.563 11.747 -5.151 234 H LEU 99 HN LEU 99 -2.937 13.843 -6.508 235 H ASP 101 HN ASP 101 1.963 17.014 -6.483 236 H VAL 102 HN VAL 102 4.655 16.659 -6.450 237 H MET 103 HN MET 103 4.868 14.230 -7.155 238 H LYS 104 HN LYS 104 5.722 13.285 -9.979 239 HZ1 LYS 104 HZ1 LYS 104 1.812 17.542 -13.730 240 HZ2 LYS 104 HZ2 LYS 104 1.750 17.275 -12.060 241 HZ3 LYS 104 HZ3 LYS 104 0.410 16.902 -13.030 242 H GLN 106 HN GLN 106 6.388 10.617 -13.476 243 HE21 GLN 106 HE21 GLN 106 9.049 11.561 -8.871 244 HE22 GLN 106 HE22 GLN 106 8.592 10.420 -7.657 245 H ASP 107 HN ASP 107 8.981 7.314 -13.288 246 H SER 108 HN SER 108 7.130 4.251 -15.983 247 HG SER 108 HG SER 108 4.848 4.787 -16.146 248 H GLY 109 HN GLY 109 5.828 1.824 -12.423 249 H SER 110 HN SER 110 7.091 -1.971 -11.414 250 HG SER 110 HG SER 110 7.065 -3.574 -10.407 251 H SER 111 HN SER 111 5.227 -2.505 -10.465 252 HG SER 111 HG SER 111 3.800 -4.302 -7.465 253 H ALA 112 HN ALA 112 0.675 -3.085 -10.185 254 H ASN 113 HN ASN 113 0.193 0.989 -12.006 255 HD21 ASN 113 HD21 ASN 113 0.101 4.939 -8.684 256 HD22 ASN 113 HD22 ASN 113 -1.056 6.057 -9.327 257 H GLU 114 HN GLU 114 2.332 0.873 -10.425 258 H GLN 115 HN GLN 115 5.271 3.733 -8.450 259 HE21 GLN 115 HE21 GLN 115 4.083 8.783 -10.656 260 HE22 GLN 115 HE22 GLN 115 3.461 9.639 -9.287 261 H ALA 116 HN ALA 116 7.956 5.132 -11.726 262 H VAL 117 HN VAL 117 11.028 5.952 -8.956 263 H GLN 118 HN GLN 118 12.617 9.269 -11.502 264 HE21 GLN 118 HE21 GLN 118 12.413 7.337 -15.413 265 HE22 GLN 118 HE22 GLN 118 10.872 7.725 -14.737 266 H1 VAL 1 HN VAL 1 -3.004 -5.479 12.156 267 H LYS 2 HN LYS 2 -1.722 -1.357 12.780 268 HZ1 LYS 2 HZ1 LYS 2 -4.200 5.506 13.328 269 HZ2 LYS 2 HZ2 LYS 2 -5.622 4.903 12.641 270 HZ3 LYS 2 HZ3 LYS 2 -4.892 6.280 11.981 271 H LEU 3 HN LEU 3 -0.519 0.633 9.108 272 H ILE 4 HN ILE 4 1.975 3.614 11.108 273 H SER 5 HN SER 5 1.791 6.506 7.926 274 HG SER 5 HG SER 5 2.106 6.257 5.791 275 H SER 6 HN SER 6 5.700 8.797 7.514 276 HG SER 6 HG SER 6 7.005 9.414 9.054 277 H ASP 7 HN ASP 7 4.017 10.110 6.162 278 H GLY 8 HN GLY 8 1.986 10.494 7.596 279 H HIS 9 HN HIS 9 0.602 9.147 6.232 280 HD1 HIS 9 HD1 HIS 9 -2.331 6.069 3.000 281 H GLU 10 HN GLU 10 -3.189 6.676 6.104 282 H PHE 11 HN PHE 11 -1.167 3.233 7.452 283 H ILE 12 HN ILE 12 -4.054 0.500 5.840 284 H VAL 13 HN VAL 13 -2.705 -2.887 8.187 285 H LYS 14 HN LYS 14 -3.707 -6.293 5.436 286 HZ1 LYS 14 HZ1 LYS 14 -8.507 -12.937 3.963 287 HZ2 LYS 14 HZ2 LYS 14 -6.826 -12.985 3.799 288 HZ3 LYS 14 HZ3 LYS 14 -7.741 -11.885 2.883 289 H ARG 15 HN ARG 15 -5.362 -8.468 9.081 290 HE ARG 15 HE ARG 15 -3.284 -10.721 14.786 291 HH11 ARG 15 HH11 ARG 15 -6.760 -10.925 15.139 292 HH12 ARG 15 HH12 ARG 15 -6.697 -11.261 16.840 293 HH21 ARG 15 HH21 ARG 15 -3.192 -11.167 17.031 294 HH22 ARG 15 HH22 ARG 15 -4.670 -11.380 17.918 295 H GLU 16 HN GLU 16 -4.839 -11.024 8.150 296 H HIS 17 HN HIS 17 -2.636 -10.741 6.483 297 HE2 HIS 17 HE2 HIS 17 -3.583 -11.651 1.309 298 H ALA 18 HN ALA 18 -1.135 -9.729 7.807 299 H LEU 19 HN LEU 19 -0.332 -11.507 9.684 300 H THR 20 HN THR 20 1.333 -13.255 8.355 301 HG1 THR 20 HG1 THR 20 0.848 -14.243 6.026 302 H SER 21 HN SER 21 3.190 -11.508 7.665 303 HG SER 21 HG SER 21 2.931 -9.967 6.292 304 H GLY 22 HN GLY 22 4.222 -10.971 9.956 305 H THR 23 HN THR 23 5.872 -12.921 10.046 306 HG1 THR 23 HG1 THR 23 4.744 -14.574 10.720 307 H ILE 24 HN ILE 24 8.075 -12.700 9.370 308 H LYS 25 HN LYS 25 12.602 -12.912 10.003 309 HZ1 LYS 25 HZ1 LYS 25 19.124 -9.661 14.062 310 HZ2 LYS 25 HZ2 LYS 25 18.935 -10.160 12.458 311 HZ3 LYS 25 HZ3 LYS 25 19.028 -11.309 13.696 312 H ALA 26 HN ALA 26 11.368 -9.370 11.876 313 H MET 27 HN MET 27 12.083 -5.119 10.956 314 H LEU 28 HN LEU 28 11.677 -6.257 13.801 315 H SER 29 HN SER 29 12.956 -6.463 16.006 316 HG SER 29 HG SER 29 13.530 -8.836 17.968 317 H GLY 30 HN GLY 30 13.511 -3.972 16.192 318 H GLY 32 HN GLY 32 13.830 0.967 21.424 319 H GLN 33 HN GLN 33 11.648 -0.239 23.146 320 HE21 GLN 33 HE21 GLN 33 8.534 -4.841 27.026 321 HE22 GLN 33 HE22 GLN 33 8.357 -4.024 28.540 322 H PHE 34 HN PHE 34 9.493 -3.660 22.169 323 H ALA 35 HN ALA 35 6.150 -0.923 21.935 324 H GLU 36 HN GLU 36 2.542 -3.202 23.662 325 H ASN 37 HN ASN 37 1.014 -1.305 22.845 326 HD21 ASN 37 HD21 ASN 37 0.334 3.444 22.849 327 HD22 ASN 37 HD22 ASN 37 -1.165 4.084 22.267 328 H GLU 38 HN GLU 38 2.364 -0.259 20.875 329 H THR 39 HN THR 39 1.994 -1.943 19.197 330 HG1 THR 39 HG1 THR 39 3.330 -3.417 19.057 331 H ASN 40 HN ASN 40 -0.192 -1.834 18.161 332 HD21 ASN 40 HD21 ASN 40 -3.374 -1.393 20.110 333 HD22 ASN 40 HD22 ASN 40 -3.708 -3.066 20.367 334 H GLU 41 HN GLU 41 -0.441 0.423 16.965 335 H VAL 42 HN VAL 42 1.273 1.029 13.595 336 H ASN 43 HN ASN 43 4.438 3.735 15.278 337 HD21 ASN 43 HD21 ASN 43 3.600 7.619 13.078 338 HD22 ASN 43 HD22 ASN 43 4.388 9.147 13.264 339 H PHE 44 HN PHE 44 4.931 5.732 11.470 340 H ARG 45 HN ARG 45 8.988 6.942 12.024 341 HE ARG 45 HE ARG 45 6.637 9.817 15.567 342 HH11 ARG 45 HH11 ARG 45 9.032 12.241 16.355 343 HH12 ARG 45 HH12 ARG 45 8.190 12.799 17.764 344 HH21 ARG 45 HH21 ARG 45 5.522 10.545 17.420 345 HH22 ARG 45 HH22 ARG 45 6.199 11.827 18.378 346 H GLU 46 HN GLU 46 9.449 10.675 9.516 347 H ILE 47 HN ILE 47 9.057 8.971 7.756 348 H SER 49 HN SER 49 4.760 9.101 2.633 349 HG SER 49 HG SER 49 3.229 9.643 1.879 350 H HIS 50 HN HIS 50 5.030 8.161 0.268 351 HE2 HIS 50 HE2 HIS 50 3.459 7.883 -6.162 352 H VAL 51 HN VAL 51 7.144 6.361 0.309 353 H LEU 52 HN LEU 52 6.545 4.698 1.782 354 H SER 53 HN SER 53 4.629 3.319 0.697 355 HG SER 53 HG SER 53 3.370 4.302 -0.537 356 H LYS 54 HN LYS 54 5.725 1.663 -1.102 357 HZ1 LYS 54 HZ1 LYS 54 8.479 -1.366 -6.709 358 HZ2 LYS 54 HZ2 LYS 54 8.393 -2.376 -5.354 359 HZ3 LYS 54 HZ3 LYS 54 9.639 -2.579 -6.474 360 H VAL 55 HN VAL 55 6.990 -0.007 0.469 361 H CYS 56 HN CYS 56 5.085 -1.294 1.792 362 HG CYS 56 HG CYS 56 4.093 -0.074 3.309 363 H MET 57 HN MET 57 3.924 -2.618 -0.279 364 H TYR 58 HN TYR 58 5.844 -4.319 -0.905 365 HH TYR 58 HH TYR 58 13.079 -8.915 -1.748 366 H PHE 59 HN PHE 59 6.005 -5.961 1.174 367 H THR 60 HN THR 60 3.617 -7.160 1.073 368 HG1 THR 60 HG1 THR 60 1.877 -6.267 1.245 369 H TYR 61 HN TYR 61 3.881 -8.524 -1.234 370 HH TYR 61 HH TYR 61 7.004 -12.913 -7.912 371 H LYS 62 HN LYS 62 5.768 -10.248 -0.520 372 HZ1 LYS 62 HZ1 LYS 62 12.255 -12.513 -2.671 373 HZ2 LYS 62 HZ2 LYS 62 11.793 -10.938 -2.236 374 HZ3 LYS 62 HZ3 LYS 62 10.767 -11.895 -3.189 375 H VAL 63 HN VAL 63 4.445 -11.777 1.181 376 H ARG 64 HN ARG 64 2.591 -13.224 -0.268 377 HE ARG 64 HE ARG 64 -2.463 -13.478 -0.022 378 HH11 ARG 64 HH11 ARG 64 -2.573 -16.376 -1.981 379 HH12 ARG 64 HH12 ARG 64 -4.299 -16.333 -2.190 380 HH21 ARG 64 HH21 ARG 64 -4.738 -13.399 -0.289 381 HH22 ARG 64 HH22 ARG 64 -5.526 -14.653 -1.219 382 H TYR 65 HN TYR 65 4.342 -14.425 -1.644 383 HH TYR 65 HH TYR 65 9.890 -17.121 -7.356 384 H THR 66 HN THR 66 5.816 -16.195 -0.169 385 HG1 THR 66 HG1 THR 66 6.994 -15.713 1.294 386 H ASN 67 HN ASN 67 3.858 -17.700 -0.016 387 HD21 ASN 67 HD21 ASN 67 -0.838 -18.396 1.681 388 HD22 ASN 67 HD22 ASN 67 -0.538 -18.292 3.380 389 H SER 68 HN SER 68 2.480 -18.892 -1.900 390 HG SER 68 HG SER 68 0.161 -18.936 -3.802 391 H SER 69 HN SER 69 2.591 -18.334 -3.635 392 HG SER 69 HG SER 69 1.260 -17.120 -6.399 393 H THR 70 HN THR 70 4.929 -20.374 -4.820 394 HG1 THR 70 HG1 THR 70 6.056 -20.046 -2.625 395 H GLU 71 HN GLU 71 5.618 -20.933 -6.836 396 H ILE 72 HN ILE 72 6.640 -19.007 -8.168 397 H GLU 74 HN GLU 74 11.476 -14.694 -9.648 398 H PHE 75 HN PHE 75 10.430 -11.345 -6.644 399 H ILE 77 HN ILE 77 13.434 -8.075 -11.585 400 H ALA 78 HN ALA 78 12.634 -4.648 -11.283 401 H GLU 80 HN GLU 80 13.474 1.300 -10.882 402 H ILE 81 HN ILE 81 13.493 0.528 -7.366 403 H ALA 82 HN ALA 82 14.500 -0.204 -5.985 404 H LEU 83 HN LEU 83 16.882 0.225 -4.961 405 H GLU 84 HN GLU 84 16.321 2.342 -3.812 406 H LEU 85 HN LEU 85 15.100 1.636 -1.649 407 H LEU 86 HN LEU 86 16.911 0.833 -0.365 408 H MET 87 HN MET 87 17.814 2.808 0.832 409 H ALA 88 HN ALA 88 17.162 2.970 3.360 410 H ALA 89 HN ALA 89 18.483 1.333 4.802 411 H ASN 90 HN ASN 90 18.756 1.761 8.409 412 HD21 ASN 90 HD21 ASN 90 17.075 2.219 12.918 413 HD22 ASN 90 HD22 ASN 90 17.423 0.992 14.081 414 H PHE 91 HN PHE 91 17.164 -1.152 7.936 Start of MODEL 8 1 H1 GLY 6 HT1 GLY 6 17.941 -3.457 9.514 2 H2 GLY 6 HT2 GLY 6 17.172 -3.675 8.017 3 H3 GLY 6 HT3 GLY 6 18.811 -4.079 8.205 4 H SER 7 HN SER 7 15.001 -5.509 8.709 5 HG SER 7 HG SER 7 13.186 -4.619 8.067 6 H LEU 8 HN LEU 8 14.124 -4.441 6.006 7 H GLN 9 HN GLN 9 16.634 -4.374 5.512 8 HE21 GLN 9 HE21 GLN 9 22.983 -4.900 6.123 9 HE22 GLN 9 HE22 GLN 9 23.004 -5.042 7.846 10 H TYR 10 HN TYR 10 17.511 -6.627 4.099 11 HH TYR 10 HH TYR 10 20.379 -13.501 -0.238 12 H LEU 11 HN LEU 11 16.120 -7.467 2.985 13 H ALA 12 HN ALA 12 15.780 -5.595 1.042 14 H LEU 13 HN LEU 13 17.713 -5.917 -0.569 15 H ALA 14 HN ALA 14 17.175 -8.054 -1.824 16 H ALA 15 HN ALA 15 15.563 -7.324 -3.433 17 H LEU 16 HN LEU 16 16.441 -6.356 -5.240 18 H ILE 17 HN ILE 17 18.228 -6.021 -8.624 19 H LYS 18 HN LYS 18 20.284 -3.360 -6.809 20 HZ1 LYS 18 HZ1 LYS 18 17.792 3.838 -8.442 21 HZ2 LYS 18 HZ2 LYS 18 18.570 4.641 -7.175 22 HZ3 LYS 18 HZ3 LYS 18 17.618 3.286 -6.849 23 H LYS 20 HN LYS 20 23.486 0.750 -7.297 24 HZ1 LYS 20 HZ1 LYS 20 23.274 5.337 -13.259 25 HZ2 LYS 20 HZ2 LYS 20 24.141 4.475 -12.094 26 HZ3 LYS 20 HZ3 LYS 20 23.223 5.825 -11.636 27 H GLN 21 HN GLN 21 25.035 4.907 -7.788 28 HE21 GLN 21 HE21 GLN 21 29.880 4.432 -6.884 29 HE22 GLN 21 HE22 GLN 21 30.173 4.121 -5.207 30 H ILE 22 HN ILE 22 25.951 5.865 -3.405 31 H LYS 23 HN LYS 23 23.080 8.740 -3.150 32 HZ1 LYS 23 HZ1 LYS 23 27.380 14.044 -1.971 33 HZ2 LYS 23 HZ2 LYS 23 27.615 15.535 -2.744 34 HZ3 LYS 23 HZ3 LYS 23 27.530 14.115 -3.663 35 H LEU 26 HN LEU 26 16.824 13.399 -2.386 36 H SER 28 HN SER 28 14.405 17.939 -2.423 37 HG SER 28 HG SER 28 15.031 18.437 -5.140 38 H VAL 29 HN VAL 29 12.816 15.970 -3.191 39 H ARG 30 HN ARG 30 11.810 12.645 -3.342 40 HE ARG 30 HE ARG 30 8.510 13.628 -0.856 41 HH11 ARG 30 HH11 ARG 30 6.165 11.530 0.686 42 HH12 ARG 30 HH12 ARG 30 5.536 12.764 1.734 43 HH21 ARG 30 HH21 ARG 30 7.677 15.271 0.496 44 HH22 ARG 30 HH22 ARG 30 6.403 14.899 1.618 45 H LYS 31 HN LYS 31 14.051 11.897 -2.429 46 HZ1 LYS 31 HZ1 LYS 31 17.525 7.076 -6.242 47 HZ2 LYS 31 HZ2 LYS 31 17.639 8.773 -6.181 48 HZ3 LYS 31 HZ3 LYS 31 18.170 7.938 -7.552 49 H LEU 32 HN LEU 32 16.654 8.476 -2.834 50 H THR 33 HN THR 33 20.410 11.154 -3.165 51 HG1 THR 33 HG1 THR 33 20.527 13.399 -3.081 52 H GLU 34 HN GLU 34 21.610 11.599 -7.548 53 H ASP 35 HN ASP 35 25.443 9.589 -6.789 54 H ARG 36 HN ARG 36 27.330 10.772 -4.717 55 HE ARG 36 HE ARG 36 30.093 7.835 -2.609 56 HH11 ARG 36 HH11 ARG 36 32.849 5.910 -3.568 57 HH12 ARG 36 HH12 ARG 36 32.275 4.474 -2.782 58 HH21 ARG 36 HH21 ARG 36 29.330 5.941 -1.593 59 HH22 ARG 36 HH22 ARG 36 30.280 4.490 -1.662 60 H TRP 37 HN TRP 37 29.240 11.478 -3.180 61 HE1 TRP 37 HE1 TRP 37 28.481 6.839 1.641 62 H1 MET 1 HT1 MET 1 -9.528 -15.858 -8.823 63 H2 MET 1 HT2 MET 1 -9.601 -17.528 -9.116 64 H3 MET 1 HT3 MET 1 -8.157 -16.825 -8.598 65 H ASP 2 HN ASP 2 -8.941 -14.583 -6.972 66 H VAL 3 HN VAL 3 -8.567 -12.389 -4.205 67 H PHE 4 HN PHE 4 -6.515 -8.871 -5.565 68 H LEU 5 HN LEU 5 -7.309 -6.387 -2.159 69 H MET 6 HN MET 6 -7.216 -2.096 -3.366 70 H ILE 7 HN ILE 7 -8.204 -0.934 0.379 71 H ARG 8 HN ARG 8 -8.970 2.952 -1.286 72 HE ARG 8 HE ARG 8 -5.166 8.342 -0.295 73 HH11 ARG 8 HH11 ARG 8 -4.312 7.606 -3.614 74 HH12 ARG 8 HH12 ARG 8 -3.550 9.141 -3.889 75 HH21 ARG 8 HH21 ARG 8 -4.159 10.353 -0.657 76 HH22 ARG 8 HH22 ARG 8 -3.458 10.697 -2.204 77 H ARG 9 HN ARG 9 -8.829 5.078 2.310 78 HE ARG 9 HE ARG 9 -10.248 7.348 6.234 79 HH11 ARG 9 HH11 ARG 9 -12.662 9.655 5.182 80 HH12 ARG 9 HH12 ARG 9 -11.802 11.039 5.776 81 HH21 ARG 9 HH21 ARG 9 -9.118 9.139 7.051 82 HH22 ARG 9 HH22 ARG 9 -9.785 10.737 6.883 83 H HIS 10 HN HIS 10 -9.198 8.074 0.296 84 HE2 HIS 10 HE2 HIS 10 -6.657 14.443 -0.026 85 H LYS 11 HN LYS 11 -7.578 9.633 3.610 86 HZ1 LYS 11 HZ1 LYS 11 -2.531 13.656 1.888 87 HZ2 LYS 11 HZ2 LYS 11 -3.566 14.920 1.462 88 HZ3 LYS 11 HZ3 LYS 11 -3.845 13.363 0.855 89 H THR 12 HN THR 12 -7.420 7.668 4.173 90 HG1 THR 12 HG1 THR 12 -7.520 7.292 7.518 91 H THR 13 HN THR 13 -4.895 4.361 4.497 92 HG1 THR 13 HG1 THR 13 -3.831 4.391 0.778 93 H ILE 14 HN ILE 14 -7.328 1.188 2.631 94 H PHE 15 HN PHE 15 -5.246 -2.353 4.008 95 H THR 16 HN THR 16 -7.070 -4.663 0.644 96 HG1 THR 16 HG1 THR 16 -8.823 -3.945 1.921 97 H ASP 17 HN ASP 17 -8.007 -8.591 2.304 98 H ALA 18 HN ALA 18 -9.020 -10.114 -1.381 99 H LYS 19 HN LYS 19 -12.558 -12.521 -2.016 100 HZ1 LYS 19 HZ1 LYS 19 -8.282 -13.408 -2.043 101 HZ2 LYS 19 HZ2 LYS 19 -7.019 -14.511 -2.286 102 HZ3 LYS 19 HZ3 LYS 19 -7.372 -13.951 -0.722 103 H GLU 20 HN GLU 20 -12.080 -13.981 -6.194 104 H SER 21 HN SER 21 -14.640 -14.864 -5.378 105 HG SER 21 HG SER 21 -16.125 -16.940 -6.215 106 H SER 22 HN SER 22 -15.554 -13.038 -3.705 107 HG SER 22 HG SER 22 -15.755 -13.358 -1.085 108 H THR 23 HN THR 23 -19.138 -10.724 -2.022 109 HG1 THR 23 HG1 THR 23 -20.906 -10.131 -1.448 110 H VAL 24 HN VAL 24 -19.859 -6.848 -4.344 111 H PHE 25 HN PHE 25 -21.159 -6.026 -2.194 112 H GLU 26 HN GLU 26 -20.073 -7.408 -0.236 113 H LEU 27 HN LEU 27 -17.850 -6.179 0.186 114 H LYS 28 HN LYS 28 -18.256 -3.882 1.327 115 HZ1 LYS 28 HZ1 LYS 28 -22.307 -0.390 -1.270 116 HZ2 LYS 28 HZ2 LYS 28 -21.729 1.017 -2.021 117 HZ3 LYS 28 HZ3 LYS 28 -22.412 1.109 -0.478 118 H ARG 29 HN ARG 29 -18.931 -4.794 3.706 119 HE ARG 29 HE ARG 29 -21.445 -7.287 7.597 120 HH11 ARG 29 HH11 ARG 29 -22.982 -9.540 5.408 121 HH12 ARG 29 HH12 ARG 29 -23.301 -10.721 6.638 122 HH21 ARG 29 HH21 ARG 29 -21.874 -8.845 9.233 123 HH22 ARG 29 HH22 ARG 29 -22.674 -10.325 8.815 124 H ILE 30 HN ILE 30 -16.687 -5.452 4.729 125 H VAL 31 HN VAL 31 -15.231 -3.364 5.050 126 H GLU 32 HN GLU 32 -16.757 -2.327 6.872 127 H GLY 33 HN GLY 33 -16.089 -3.647 9.109 128 H ILE 34 HN ILE 34 -14.227 -1.976 9.944 129 H LEU 35 HN LEU 35 -13.556 0.165 9.631 130 H LYS 36 HN LYS 36 -15.238 0.384 11.222 131 HZ1 LYS 36 HZ1 LYS 36 -14.060 0.362 18.430 132 HZ2 LYS 36 HZ2 LYS 36 -13.939 -1.322 18.438 133 HZ3 LYS 36 HZ3 LYS 36 -15.458 -0.585 18.453 134 H ARG 37 HN ARG 37 -16.990 1.995 10.039 135 HE ARG 37 HE ARG 37 -15.017 6.707 10.868 136 HH11 ARG 37 HH11 ARG 37 -18.072 8.425 10.714 137 HH12 ARG 37 HH12 ARG 37 -17.358 9.975 11.040 138 HH21 ARG 37 HH21 ARG 37 -14.083 8.750 11.291 139 HH22 ARG 37 HH22 ARG 37 -15.095 10.154 11.375 140 H ASP 40 HN ASP 40 -23.957 1.729 5.708 141 H GLU 41 HN GLU 41 -23.120 4.068 4.993 142 H GLN 42 HN GLN 42 -21.636 3.609 3.322 143 HE21 GLN 42 HE21 GLN 42 -18.847 1.566 6.455 144 HE22 GLN 42 HE22 GLN 42 -17.923 0.144 6.120 145 H ARG 43 HN ARG 43 -18.425 5.040 0.437 146 HE ARG 43 HE ARG 43 -23.772 6.450 -2.605 147 HH11 ARG 43 HH11 ARG 43 -22.564 4.332 -0.081 148 HH12 ARG 43 HH12 ARG 43 -24.029 4.403 0.856 149 HH21 ARG 43 HH21 ARG 43 -25.707 6.513 -1.390 150 HH22 ARG 43 HH22 ARG 43 -25.819 5.629 0.099 151 H LEU 44 HN LEU 44 -18.741 2.346 -2.653 152 H TYR 45 HN TYR 45 -14.993 3.802 -4.253 153 HH TYR 45 HH TYR 45 -19.917 9.216 -5.529 154 H LYS 46 HN LYS 46 -15.315 2.245 -8.172 155 HZ1 LYS 46 HZ1 LYS 46 -12.853 -3.552 -11.888 156 HZ2 LYS 46 HZ2 LYS 46 -11.211 -3.547 -12.310 157 HZ3 LYS 46 HZ3 LYS 46 -12.154 -2.163 -12.568 158 H ASP 47 HN ASP 47 -11.431 2.431 -10.169 159 H ASP 48 HN ASP 48 -12.543 4.712 -10.432 160 H GLN 49 HN GLN 49 -15.091 4.061 -10.900 161 HE21 GLN 49 HE21 GLN 49 -17.294 6.780 -12.938 162 HE22 GLN 49 HE22 GLN 49 -18.882 7.368 -13.282 163 H LEU 50 HN LEU 50 -19.422 4.493 -9.910 164 H LEU 51 HN LEU 51 -18.503 1.387 -6.767 165 H ASP 52 HN ASP 52 -20.369 -2.506 -8.404 166 H ASP 53 HN ASP 53 -23.290 -2.397 -5.224 167 H GLY 54 HN GLY 54 -24.551 -4.702 -5.770 168 H LYS 55 HN LYS 55 -22.884 -6.218 -6.793 169 HZ1 LYS 55 HZ1 LYS 55 -24.075 -4.318 -12.386 170 HZ2 LYS 55 HZ2 LYS 55 -24.708 -5.098 -11.024 171 HZ3 LYS 55 HZ3 LYS 55 -25.475 -5.251 -12.527 172 H THR 56 HN THR 56 -20.636 -9.816 -8.404 173 HG1 THR 56 HG1 THR 56 -19.505 -11.449 -9.091 174 H LEU 57 HN LEU 57 -16.690 -10.014 -6.202 175 H GLY 58 HN GLY 58 -16.129 -10.985 -8.571 176 H GLU 59 HN GLU 59 -17.751 -9.946 -10.517 177 H CYS 60 HN CYS 60 -16.593 -7.710 -10.598 178 HG CYS 60 HG CYS 60 -18.153 -6.690 -8.667 179 H GLY 61 HN GLY 61 -15.082 -7.335 -12.675 180 H PHE 62 HN PHE 62 -13.038 -7.998 -11.023 181 H THR 63 HN THR 63 -10.153 -8.442 -12.224 182 HG1 THR 63 HG1 THR 63 -8.593 -8.352 -13.570 183 H SER 64 HN SER 64 -7.838 -12.325 -11.184 184 HG SER 64 HG SER 64 -6.800 -14.836 -10.211 185 H GLN 65 HN GLN 65 -5.933 -11.211 -12.723 186 HE21 GLN 65 HE21 GLN 65 -3.763 -13.444 -12.979 187 HE22 GLN 65 HE22 GLN 65 -2.065 -13.727 -13.116 188 H THR 66 HN THR 66 -5.947 -8.735 -12.527 189 HG1 THR 66 HG1 THR 66 -7.650 -7.645 -11.746 190 H ALA 67 HN ALA 67 -5.912 -8.188 -10.343 191 H ARG 68 HN ARG 68 -2.717 -7.229 -8.246 192 HE ARG 68 HE ARG 68 -1.217 -7.596 -12.464 193 HH11 ARG 68 HH11 ARG 68 2.039 -6.867 -11.354 194 HH12 ARG 68 HH12 ARG 68 2.376 -5.785 -12.672 195 HH21 ARG 68 HH21 ARG 68 -0.757 -6.157 -14.187 196 HH22 ARG 68 HH22 ARG 68 0.792 -5.382 -14.271 197 H GLN 70 HN GLN 70 1.037 -8.759 -6.319 198 HE21 GLN 70 HE21 GLN 70 5.135 -9.142 -9.192 199 HE22 GLN 70 HE22 GLN 70 4.886 -8.064 -10.517 200 H ALA 71 HN ALA 71 0.058 -6.810 -6.287 201 H ALA 73 HN ALA 73 -5.801 -4.605 -6.146 202 H THR 74 HN THR 74 -5.841 -0.281 -7.223 203 HG1 THR 74 HG1 THR 74 -4.040 1.169 -6.533 204 H VAL 75 HN VAL 75 -8.526 0.962 -3.851 205 H GLY 76 HN GLY 76 -11.686 3.714 -5.162 206 H LEU 77 HN LEU 77 -11.802 5.492 -0.994 207 H ALA 78 HN ALA 78 -15.851 6.124 -1.157 208 H PHE 79 HN PHE 79 -16.344 9.184 2.090 209 H ARG 80 HN ARG 80 -20.429 8.224 2.921 210 HE ARG 80 HE ARG 80 -25.241 8.827 3.507 211 HH11 ARG 80 HH11 ARG 80 -26.280 9.178 0.174 212 HH12 ARG 80 HH12 ARG 80 -27.230 7.726 0.173 213 HH21 ARG 80 HH21 ARG 80 -26.486 6.900 3.522 214 HH22 ARG 80 HH22 ARG 80 -27.355 6.433 2.086 215 H ALA 81 HN ALA 81 -20.413 12.341 4.185 216 H ASP 82 HN ASP 82 -23.025 13.235 7.498 217 H ASP 83 HN ASP 83 -23.249 17.475 5.840 218 H THR 84 HN THR 84 -20.523 16.597 6.763 219 HG1 THR 84 HG1 THR 84 -18.875 16.517 8.601 220 H PHE 85 HN PHE 85 -17.416 18.971 4.972 221 H GLU 86 HN GLU 86 -15.836 17.043 4.357 222 H ALA 87 HN ALA 87 -16.576 14.935 2.924 223 H LEU 88 HN LEU 88 -16.620 15.651 0.253 224 H CYS 89 HN CYS 89 -14.164 15.547 -0.556 225 HG CYS 89 HG CYS 89 -12.662 18.295 -1.276 226 H ILE 90 HN ILE 90 -13.781 13.153 -1.100 227 H GLU 91 HN GLU 91 -14.233 12.473 -3.234 228 H PHE 93 HN PHE 93 -15.440 10.677 -7.702 229 H SER 94 HN SER 94 -15.530 12.813 -7.974 230 HG SER 94 HG SER 94 -17.411 13.712 -6.330 231 H SER 95 HN SER 95 -14.111 13.991 -7.269 232 HG SER 95 HG SER 95 -13.748 15.539 -4.974 233 H GLU 98 HN GLU 98 -6.452 11.523 -5.346 234 H LEU 99 HN LEU 99 -2.914 13.603 -6.581 235 H ASP 101 HN ASP 101 2.193 16.811 -5.975 236 H VAL 102 HN VAL 102 4.821 16.593 -6.132 237 H MET 103 HN MET 103 4.929 14.234 -6.867 238 H LYS 104 HN LYS 104 5.545 13.675 -9.520 239 HZ1 LYS 104 HZ1 LYS 104 0.804 17.084 -13.612 240 HZ2 LYS 104 HZ2 LYS 104 1.927 16.792 -14.845 241 HZ3 LYS 104 HZ3 LYS 104 2.249 17.959 -13.667 242 H GLN 106 HN GLN 106 6.494 10.743 -13.373 243 HE21 GLN 106 HE21 GLN 106 8.824 11.759 -8.686 244 HE22 GLN 106 HE22 GLN 106 8.188 10.774 -7.415 245 H ASP 107 HN ASP 107 9.491 7.514 -13.499 246 H SER 108 HN SER 108 7.377 4.394 -16.030 247 HG SER 108 HG SER 108 5.157 4.947 -16.223 248 H GLY 109 HN GLY 109 5.639 1.927 -12.626 249 H SER 110 HN SER 110 7.081 -1.875 -11.496 250 HG SER 110 HG SER 110 7.309 -3.384 -10.614 251 H SER 111 HN SER 111 5.174 -2.486 -10.632 252 HG SER 111 HG SER 111 3.812 -4.636 -7.785 253 H ALA 112 HN ALA 112 0.649 -3.065 -10.339 254 H ASN 113 HN ASN 113 0.032 1.252 -11.601 255 HD21 ASN 113 HD21 ASN 113 0.587 4.557 -8.299 256 HD22 ASN 113 HD22 ASN 113 -0.670 5.714 -8.017 257 H GLU 114 HN GLU 114 2.266 0.855 -10.172 258 H GLN 115 HN GLN 115 5.484 3.561 -8.439 259 HE21 GLN 115 HE21 GLN 115 4.254 8.632 -10.669 260 HE22 GLN 115 HE22 GLN 115 3.663 9.503 -9.296 261 H ALA 116 HN ALA 116 8.013 5.297 -11.698 262 H VAL 117 HN VAL 117 10.962 6.081 -8.971 263 H GLN 118 HN GLN 118 12.334 9.637 -11.408 264 HE21 GLN 118 HE21 GLN 118 12.384 8.287 -15.952 265 HE22 GLN 118 HE22 GLN 118 10.812 8.215 -15.236 266 H1 VAL 1 HN VAL 1 -3.268 -4.840 12.578 267 H LYS 2 HN LYS 2 -1.804 -0.845 12.952 268 HZ1 LYS 2 HZ1 LYS 2 -3.910 6.979 12.800 269 HZ2 LYS 2 HZ2 LYS 2 -4.629 5.674 13.596 270 HZ3 LYS 2 HZ3 LYS 2 -5.198 6.158 12.069 271 H LEU 3 HN LEU 3 -0.658 0.943 9.134 272 H ILE 4 HN ILE 4 1.962 3.791 11.132 273 H SER 5 HN SER 5 1.681 6.662 7.975 274 HG SER 5 HG SER 5 1.660 6.721 5.960 275 H SER 6 HN SER 6 5.652 8.807 7.290 276 HG SER 6 HG SER 6 7.042 9.319 8.752 277 H ASP 7 HN ASP 7 3.894 10.294 6.045 278 H GLY 8 HN GLY 8 2.028 10.676 7.577 279 H HIS 9 HN HIS 9 0.563 9.320 6.289 280 HD1 HIS 9 HD1 HIS 9 -2.168 6.066 2.962 281 H GLU 10 HN GLU 10 -3.302 7.007 6.314 282 H PHE 11 HN PHE 11 -1.306 3.353 7.624 283 H ILE 12 HN ILE 12 -4.127 0.739 5.967 284 H VAL 13 HN VAL 13 -2.758 -2.810 8.141 285 H LYS 14 HN LYS 14 -3.915 -6.165 5.419 286 HZ1 LYS 14 HZ1 LYS 14 -8.594 -12.846 4.151 287 HZ2 LYS 14 HZ2 LYS 14 -6.952 -13.208 4.345 288 HZ3 LYS 14 HZ3 LYS 14 -7.442 -12.059 3.197 289 H ARG 15 HN ARG 15 -5.167 -8.420 9.191 290 HE ARG 15 HE ARG 15 -1.917 -10.267 14.665 291 HH11 ARG 15 HH11 ARG 15 -5.179 -11.440 15.156 292 HH12 ARG 15 HH12 ARG 15 -4.749 -12.450 16.500 293 HH21 ARG 15 HH21 ARG 15 -1.344 -11.593 16.432 294 HH22 ARG 15 HH22 ARG 15 -2.561 -12.551 17.213 295 H GLU 16 HN GLU 16 -4.530 -10.844 8.055 296 H HIS 17 HN HIS 17 -2.373 -10.722 6.230 297 HE2 HIS 17 HE2 HIS 17 -3.457 -11.534 1.418 298 H ALA 18 HN ALA 18 -0.903 -9.683 7.747 299 H LEU 19 HN LEU 19 -0.177 -11.514 9.567 300 H THR 20 HN THR 20 1.538 -13.354 8.388 301 HG1 THR 20 HG1 THR 20 1.215 -14.463 6.077 302 H SER 21 HN SER 21 3.449 -11.556 7.649 303 HG SER 21 HG SER 21 3.236 -9.984 6.275 304 H GLY 22 HN GLY 22 4.349 -10.863 10.067 305 H THR 23 HN THR 23 6.027 -12.808 10.354 306 HG1 THR 23 HG1 THR 23 4.832 -14.437 11.043 307 H ILE 24 HN ILE 24 8.083 -12.639 9.521 308 H LYS 25 HN LYS 25 12.604 -12.413 8.831 309 HZ1 LYS 25 HZ1 LYS 25 19.203 -11.981 12.672 310 HZ2 LYS 25 HZ2 LYS 25 18.720 -12.968 11.386 311 HZ3 LYS 25 HZ3 LYS 25 17.566 -12.346 12.457 312 H ALA 26 HN ALA 26 11.525 -9.698 11.453 313 H MET 27 HN MET 27 11.833 -5.197 10.955 314 H LEU 28 HN LEU 28 11.785 -6.505 14.011 315 H SER 29 HN SER 29 13.108 -6.393 16.137 316 HG SER 29 HG SER 29 14.999 -8.453 17.052 317 H GLY 30 HN GLY 30 13.337 -3.781 16.277 318 H GLY 32 HN GLY 32 13.344 1.314 21.310 319 H GLN 33 HN GLN 33 11.532 -0.153 22.719 320 HE21 GLN 33 HE21 GLN 33 9.357 -5.148 26.678 321 HE22 GLN 33 HE22 GLN 33 9.970 -4.799 28.257 322 H PHE 34 HN PHE 34 9.662 -3.904 22.390 323 H ALA 35 HN ALA 35 6.294 -1.496 22.061 324 H GLU 36 HN GLU 36 2.560 -3.631 23.647 325 H ASN 37 HN ASN 37 1.481 -1.301 22.687 326 HD21 ASN 37 HD21 ASN 37 1.623 2.108 24.405 327 HD22 ASN 37 HD22 ASN 37 0.462 1.470 25.517 328 H GLU 38 HN GLU 38 2.949 -0.372 20.657 329 H THR 39 HN THR 39 2.192 -2.087 19.079 330 HG1 THR 39 HG1 THR 39 3.538 -3.827 18.775 331 H ASN 40 HN ASN 40 0.034 -1.744 18.235 332 HD21 ASN 40 HD21 ASN 40 -4.156 -2.908 18.455 333 HD22 ASN 40 HD22 ASN 40 -5.576 -2.168 17.802 334 H GLU 41 HN GLU 41 -0.243 0.501 17.127 335 H VAL 42 HN VAL 42 1.312 1.222 13.517 336 H ASN 43 HN ASN 43 4.380 3.868 15.157 337 HD21 ASN 43 HD21 ASN 43 3.640 7.417 12.581 338 HD22 ASN 43 HD22 ASN 43 4.197 9.048 12.709 339 H PHE 44 HN PHE 44 4.993 5.756 11.273 340 H ARG 45 HN ARG 45 8.844 7.107 12.111 341 HE ARG 45 HE ARG 45 5.590 10.910 13.791 342 HH11 ARG 45 HH11 ARG 45 7.835 13.590 13.746 343 HH12 ARG 45 HH12 ARG 45 6.862 14.591 14.775 344 HH21 ARG 45 HH21 ARG 45 4.293 12.232 15.131 345 HH22 ARG 45 HH22 ARG 45 4.848 13.815 15.572 346 H GLU 46 HN GLU 46 9.571 10.761 9.483 347 H ILE 47 HN ILE 47 9.171 8.934 7.794 348 H SER 49 HN SER 49 4.836 9.107 2.898 349 HG SER 49 HG SER 49 3.263 9.766 2.291 350 H HIS 50 HN HIS 50 4.849 8.147 0.399 351 HE2 HIS 50 HE2 HIS 50 3.471 7.547 -6.100 352 H VAL 51 HN VAL 51 7.248 6.466 0.004 353 H LEU 52 HN LEU 52 6.574 4.713 1.775 354 H SER 53 HN SER 53 4.678 3.412 0.619 355 HG SER 53 HG SER 53 2.891 4.197 0.316 356 H LYS 54 HN LYS 54 5.744 1.701 -1.122 357 HZ1 LYS 54 HZ1 LYS 54 8.314 -1.614 -6.643 358 HZ2 LYS 54 HZ2 LYS 54 8.394 -2.576 -5.252 359 HZ3 LYS 54 HZ3 LYS 54 9.568 -2.737 -6.451 360 H VAL 55 HN VAL 55 6.842 0.041 0.446 361 H CYS 56 HN CYS 56 4.909 -1.267 1.720 362 HG CYS 56 HG CYS 56 3.832 -0.004 3.132 363 H MET 57 HN MET 57 3.878 -2.615 -0.390 364 H TYR 58 HN TYR 58 5.843 -4.298 -0.986 365 HH TYR 58 HH TYR 58 12.922 -9.180 -1.762 366 H PHE 59 HN PHE 59 5.918 -5.904 1.140 367 H THR 60 HN THR 60 3.538 -7.129 1.012 368 HG1 THR 60 HG1 THR 60 1.749 -6.229 1.076 369 H TYR 61 HN TYR 61 3.908 -8.576 -1.235 370 HH TYR 61 HH TYR 61 7.108 -13.220 -7.726 371 H LYS 62 HN LYS 62 5.859 -10.163 -0.489 372 HZ1 LYS 62 HZ1 LYS 62 12.117 -12.767 -0.940 373 HZ2 LYS 62 HZ2 LYS 62 11.652 -11.198 -1.378 374 HZ3 LYS 62 HZ3 LYS 62 11.325 -12.501 -2.416 375 H VAL 63 HN VAL 63 4.599 -11.712 1.328 376 H ARG 64 HN ARG 64 2.944 -13.288 -0.162 377 HE ARG 64 HE ARG 64 -2.321 -13.873 0.433 378 HH11 ARG 64 HH11 ARG 64 -1.698 -15.829 -2.381 379 HH12 ARG 64 HH12 ARG 64 -3.288 -15.622 -3.059 380 HH21 ARG 64 HH21 ARG 64 -4.447 -13.606 -0.421 381 HH22 ARG 64 HH22 ARG 64 -4.855 -14.395 -1.927 382 H TYR 65 HN TYR 65 4.534 -14.339 -1.763 383 HH TYR 65 HH TYR 65 11.806 -17.670 -4.703 384 H THR 66 HN THR 66 6.290 -16.037 -0.276 385 HG1 THR 66 HG1 THR 66 7.572 -15.494 1.113 386 H ASN 67 HN ASN 67 4.816 -18.915 -0.912 387 HD21 ASN 67 HD21 ASN 67 0.247 -17.732 1.234 388 HD22 ASN 67 HD22 ASN 67 -0.640 -18.984 2.025 389 H SER 68 HN SER 68 2.784 -18.885 -1.720 390 HG SER 68 HG SER 68 0.265 -21.213 -1.130 391 H SER 69 HN SER 69 2.695 -18.112 -3.394 392 HG SER 69 HG SER 69 1.211 -16.799 -5.047 393 H THR 70 HN THR 70 4.639 -20.223 -4.888 394 HG1 THR 70 HG1 THR 70 6.208 -19.943 -2.843 395 H GLU 71 HN GLU 71 5.065 -20.412 -7.167 396 H ILE 72 HN ILE 72 5.679 -18.618 -8.570 397 H GLU 74 HN GLU 74 11.627 -14.118 -8.897 398 H PHE 75 HN PHE 75 10.386 -10.653 -6.204 399 H ILE 77 HN ILE 77 13.316 -7.782 -11.469 400 H ALA 78 HN ALA 78 12.366 -4.762 -11.730 401 H GLU 80 HN GLU 80 14.016 1.075 -11.065 402 H ILE 81 HN ILE 81 13.448 0.699 -7.657 403 H ALA 82 HN ALA 82 14.033 -0.174 -6.060 404 H LEU 83 HN LEU 83 16.274 0.195 -4.923 405 H GLU 84 HN GLU 84 16.088 2.273 -3.698 406 H LEU 85 HN LEU 85 15.144 1.715 -1.391 407 H LEU 86 HN LEU 86 17.018 0.973 -0.108 408 H MET 87 HN MET 87 17.912 2.918 1.167 409 H ALA 88 HN ALA 88 17.277 3.088 3.675 410 H ALA 89 HN ALA 89 18.370 1.210 5.068 411 H ASN 90 HN ASN 90 18.582 1.470 8.574 412 HD21 ASN 90 HD21 ASN 90 17.175 1.872 13.244 413 HD22 ASN 90 HD22 ASN 90 17.555 0.568 14.318 414 H PHE 91 HN PHE 91 16.930 -0.975 7.807 Start of MODEL 9 1 H1 GLY 6 HT1 GLY 6 18.959 -3.062 8.993 2 H2 GLY 6 HT2 GLY 6 17.807 -3.299 7.770 3 H3 GLY 6 HT3 GLY 6 19.390 -3.868 7.572 4 H SER 7 HN SER 7 15.765 -5.523 8.832 5 HG SER 7 HG SER 7 13.915 -5.009 8.404 6 H LEU 8 HN LEU 8 14.502 -4.611 6.425 7 H GLN 9 HN GLN 9 16.830 -4.055 5.409 8 HE21 GLN 9 HE21 GLN 9 22.950 -2.281 4.650 9 HE22 GLN 9 HE22 GLN 9 23.423 -2.441 6.307 10 H TYR 10 HN TYR 10 17.569 -6.341 4.133 11 HH TYR 10 HH TYR 10 19.697 -13.769 0.447 12 H LEU 11 HN LEU 11 16.070 -7.353 3.130 13 H ALA 12 HN ALA 12 15.597 -5.601 1.046 14 H LEU 13 HN LEU 13 17.650 -5.891 -0.446 15 H ALA 14 HN ALA 14 17.339 -8.271 -1.354 16 H ALA 15 HN ALA 15 15.975 -7.732 -3.389 17 H LEU 16 HN LEU 16 15.860 -6.194 -4.874 18 H ILE 17 HN ILE 17 18.069 -6.477 -8.181 19 H LYS 18 HN LYS 18 20.634 -3.381 -6.362 20 HZ1 LYS 18 HZ1 LYS 18 17.299 3.452 -6.644 21 HZ2 LYS 18 HZ2 LYS 18 17.854 4.102 -8.117 22 HZ3 LYS 18 HZ3 LYS 18 18.392 4.745 -6.641 23 H LYS 20 HN LYS 20 23.270 0.749 -7.412 24 HZ1 LYS 20 HZ1 LYS 20 19.879 5.826 -12.668 25 HZ2 LYS 20 HZ2 LYS 20 20.118 6.294 -11.057 26 HZ3 LYS 20 HZ3 LYS 20 18.941 5.124 -11.442 27 H GLN 21 HN GLN 21 24.538 4.946 -7.908 28 HE21 GLN 21 HE21 GLN 21 30.077 4.901 -6.613 29 HE22 GLN 21 HE22 GLN 21 30.234 5.014 -4.895 30 H ILE 22 HN ILE 22 26.463 6.263 -4.039 31 H LYS 23 HN LYS 23 23.183 8.474 -1.930 32 HZ1 LYS 23 HZ1 LYS 23 26.647 14.289 -2.354 33 HZ2 LYS 23 HZ2 LYS 23 27.043 15.620 -3.318 34 HZ3 LYS 23 HZ3 LYS 23 27.218 14.055 -3.936 35 H LEU 26 HN LEU 26 17.131 13.219 -2.498 36 H SER 28 HN SER 28 14.621 17.645 -2.800 37 HG SER 28 HG SER 28 15.005 17.450 -5.614 38 H VAL 29 HN VAL 29 12.880 15.828 -3.317 39 H ARG 30 HN ARG 30 11.617 12.569 -3.713 40 HE ARG 30 HE ARG 30 8.299 12.714 -0.432 41 HH11 ARG 30 HH11 ARG 30 5.541 10.577 -0.749 42 HH12 ARG 30 HH12 ARG 30 4.801 11.111 0.732 43 HH21 ARG 30 HH21 ARG 30 7.298 13.458 1.483 44 HH22 ARG 30 HH22 ARG 30 5.787 12.757 1.994 45 H LYS 31 HN LYS 31 13.926 11.834 -2.715 46 HZ1 LYS 31 HZ1 LYS 31 17.531 6.905 -6.258 47 HZ2 LYS 31 HZ2 LYS 31 17.852 8.569 -6.341 48 HZ3 LYS 31 HZ3 LYS 31 18.358 7.552 -7.597 49 H LEU 32 HN LEU 32 16.661 8.488 -3.135 50 H THR 33 HN THR 33 20.263 11.324 -3.301 51 HG1 THR 33 HG1 THR 33 20.648 13.292 -3.388 52 H GLU 34 HN GLU 34 22.130 11.368 -7.450 53 H ASP 35 HN ASP 35 25.718 9.527 -6.170 54 H ARG 36 HN ARG 36 27.393 10.635 -4.491 55 HE ARG 36 HE ARG 36 30.168 8.084 -2.319 56 HH11 ARG 36 HH11 ARG 36 32.431 5.552 -3.174 57 HH12 ARG 36 HH12 ARG 36 31.553 4.316 -2.329 58 HH21 ARG 36 HH21 ARG 36 29.017 6.479 -1.219 59 HH22 ARG 36 HH22 ARG 36 29.607 4.846 -1.211 60 H TRP 37 HN TRP 37 28.958 11.697 -2.985 61 HE1 TRP 37 HE1 TRP 37 28.088 7.802 2.676 62 H1 MET 1 HT1 MET 1 -8.978 -15.312 -9.158 63 H2 MET 1 HT2 MET 1 -8.629 -16.890 -9.669 64 H3 MET 1 HT3 MET 1 -7.471 -16.009 -8.810 65 H ASP 2 HN ASP 2 -6.893 -15.740 -6.732 66 H VAL 3 HN VAL 3 -8.257 -12.376 -3.947 67 H PHE 4 HN PHE 4 -6.458 -8.840 -5.539 68 H LEU 5 HN LEU 5 -7.261 -6.245 -2.249 69 H MET 6 HN MET 6 -7.315 -1.932 -3.368 70 H ILE 7 HN ILE 7 -8.355 -0.915 0.427 71 H ARG 8 HN ARG 8 -9.069 2.978 -1.168 72 HE ARG 8 HE ARG 8 -5.351 8.412 -0.331 73 HH11 ARG 8 HH11 ARG 8 -4.024 7.180 -3.331 74 HH12 ARG 8 HH12 ARG 8 -3.256 8.674 -3.755 75 HH21 ARG 8 HH21 ARG 8 -4.335 10.405 -0.902 76 HH22 ARG 8 HH22 ARG 8 -3.438 10.497 -2.389 77 H ARG 9 HN ARG 9 -8.908 5.063 2.481 78 HE ARG 9 HE ARG 9 -10.175 7.273 6.346 79 HH11 ARG 9 HH11 ARG 9 -12.611 9.667 5.567 80 HH12 ARG 9 HH12 ARG 9 -11.638 11.016 6.056 81 HH21 ARG 9 HH21 ARG 9 -8.897 9.022 7.019 82 HH22 ARG 9 HH22 ARG 9 -9.525 10.640 6.919 83 H HIS 10 HN HIS 10 -9.569 8.344 0.575 84 HE2 HIS 10 HE2 HIS 10 -6.258 14.414 1.399 85 H LYS 11 HN LYS 11 -7.331 9.539 3.787 86 HZ1 LYS 11 HZ1 LYS 11 -0.766 14.316 2.966 87 HZ2 LYS 11 HZ2 LYS 11 -0.685 13.209 4.242 88 HZ3 LYS 11 HZ3 LYS 11 -1.705 14.553 4.350 89 H THR 12 HN THR 12 -7.246 7.476 3.968 90 HG1 THR 12 HG1 THR 12 -7.410 7.147 7.453 91 H THR 13 HN THR 13 -4.771 4.311 4.341 92 HG1 THR 13 HG1 THR 13 -3.314 4.284 0.976 93 H ILE 14 HN ILE 14 -7.397 1.232 2.694 94 H PHE 15 HN PHE 15 -5.277 -2.280 4.045 95 H THR 16 HN THR 16 -7.106 -4.350 0.570 96 HG1 THR 16 HG1 THR 16 -8.930 -3.569 1.649 97 H ASP 17 HN ASP 17 -8.031 -8.103 2.334 98 H ALA 18 HN ALA 18 -8.833 -10.196 -1.284 99 H LYS 19 HN LYS 19 -12.479 -12.280 -1.963 100 HZ1 LYS 19 HZ1 LYS 19 -9.091 -14.604 -0.546 101 HZ2 LYS 19 HZ2 LYS 19 -7.655 -15.052 -1.322 102 HZ3 LYS 19 HZ3 LYS 19 -8.051 -15.717 0.184 103 H GLU 20 HN GLU 20 -11.902 -14.135 -5.956 104 H SER 21 HN SER 21 -14.410 -14.761 -5.359 105 HG SER 21 HG SER 21 -15.248 -16.959 -3.540 106 H SER 22 HN SER 22 -15.398 -12.897 -3.964 107 HG SER 22 HG SER 22 -15.728 -13.272 -1.141 108 H THR 23 HN THR 23 -18.956 -10.655 -2.063 109 HG1 THR 23 HG1 THR 23 -20.680 -10.224 -1.447 110 H VAL 24 HN VAL 24 -19.865 -6.804 -4.344 111 H PHE 25 HN PHE 25 -21.078 -5.979 -2.180 112 H GLU 26 HN GLU 26 -19.907 -7.355 -0.299 113 H LEU 27 HN LEU 27 -17.644 -6.164 0.093 114 H LYS 28 HN LYS 28 -18.143 -3.879 1.300 115 HZ1 LYS 28 HZ1 LYS 28 -22.226 -0.416 -1.416 116 HZ2 LYS 28 HZ2 LYS 28 -21.663 1.090 -1.953 117 HZ3 LYS 28 HZ3 LYS 28 -22.401 0.960 -0.439 118 H ARG 29 HN ARG 29 -18.844 -4.893 3.642 119 HE ARG 29 HE ARG 29 -21.605 -7.338 7.708 120 HH11 ARG 29 HH11 ARG 29 -21.480 -9.992 5.429 121 HH12 ARG 29 HH12 ARG 29 -21.095 -11.179 6.634 122 HH21 ARG 29 HH21 ARG 29 -21.137 -8.900 9.306 123 HH22 ARG 29 HH22 ARG 29 -20.903 -10.557 8.845 124 H ILE 30 HN ILE 30 -16.606 -5.551 4.698 125 H VAL 31 HN VAL 31 -15.240 -3.438 4.980 126 H GLU 32 HN GLU 32 -16.786 -2.384 6.838 127 H GLY 33 HN GLY 33 -16.060 -3.678 9.109 128 H ILE 34 HN ILE 34 -14.054 -2.201 9.680 129 H LEU 35 HN LEU 35 -13.618 0.080 9.491 130 H LYS 36 HN LYS 36 -15.147 0.298 11.228 131 HZ1 LYS 36 HZ1 LYS 36 -12.390 0.132 17.352 132 HZ2 LYS 36 HZ2 LYS 36 -12.810 -1.366 18.008 133 HZ3 LYS 36 HZ3 LYS 36 -13.751 -0.006 18.342 134 H ARG 37 HN ARG 37 -17.265 1.734 10.199 135 HE ARG 37 HE ARG 37 -14.718 6.566 10.758 136 HH11 ARG 37 HH11 ARG 37 -16.045 8.413 8.100 137 HH12 ARG 37 HH12 ARG 37 -15.036 9.791 8.385 138 HH21 ARG 37 HH21 ARG 37 -13.404 8.389 11.160 139 HH22 ARG 37 HH22 ARG 37 -13.520 9.777 10.123 140 H ASP 40 HN ASP 40 -23.719 1.554 5.761 141 H GLU 41 HN GLU 41 -23.143 3.942 4.938 142 H GLN 42 HN GLN 42 -21.657 3.505 3.029 143 HE21 GLN 42 HE21 GLN 42 -18.745 1.847 6.557 144 HE22 GLN 42 HE22 GLN 42 -17.872 0.379 6.295 145 H ARG 43 HN ARG 43 -18.509 5.412 0.497 146 HE ARG 43 HE ARG 43 -23.156 7.703 -1.104 147 HH11 ARG 43 HH11 ARG 43 -22.575 4.328 -0.390 148 HH12 ARG 43 HH12 ARG 43 -23.823 4.232 0.818 149 HH21 ARG 43 HH21 ARG 43 -24.794 7.583 0.491 150 HH22 ARG 43 HH22 ARG 43 -25.073 6.093 1.335 151 H LEU 44 HN LEU 44 -18.753 2.792 -2.984 152 H TYR 45 HN TYR 45 -14.785 3.639 -4.541 153 HH TYR 45 HH TYR 45 -19.786 8.996 -5.541 154 H LYS 46 HN LYS 46 -15.064 2.444 -8.725 155 HZ1 LYS 46 HZ1 LYS 46 -13.130 -2.577 -12.410 156 HZ2 LYS 46 HZ2 LYS 46 -11.614 -3.184 -12.856 157 HZ3 LYS 46 HZ3 LYS 46 -11.791 -1.537 -12.496 158 H ASP 47 HN ASP 47 -11.096 2.634 -10.332 159 H ASP 48 HN ASP 48 -12.376 4.788 -10.589 160 H GLN 49 HN GLN 49 -14.759 4.198 -11.113 161 HE21 GLN 49 HE21 GLN 49 -17.043 6.601 -13.592 162 HE22 GLN 49 HE22 GLN 49 -18.602 6.959 -14.251 163 H LEU 50 HN LEU 50 -19.178 4.397 -10.688 164 H LEU 51 HN LEU 51 -18.791 1.681 -7.028 165 H ASP 52 HN ASP 52 -20.325 -2.536 -7.990 166 H ASP 53 HN ASP 53 -23.536 -2.305 -5.117 167 H GLY 54 HN GLY 54 -24.691 -4.647 -5.722 168 H LYS 55 HN LYS 55 -22.859 -6.099 -6.655 169 HZ1 LYS 55 HZ1 LYS 55 -24.640 -4.363 -10.886 170 HZ2 LYS 55 HZ2 LYS 55 -25.157 -4.213 -12.491 171 HZ3 LYS 55 HZ3 LYS 55 -23.644 -3.618 -12.040 172 H THR 56 HN THR 56 -20.713 -9.624 -8.521 173 HG1 THR 56 HG1 THR 56 -19.973 -11.171 -9.151 174 H LEU 57 HN LEU 57 -16.772 -9.894 -6.232 175 H GLY 58 HN GLY 58 -15.684 -11.010 -8.514 176 H GLU 59 HN GLU 59 -17.359 -9.876 -10.386 177 H CYS 60 HN CYS 60 -16.606 -7.621 -10.548 178 HG CYS 60 HG CYS 60 -18.128 -6.661 -8.886 179 H GLY 61 HN GLY 61 -14.890 -7.463 -12.353 180 H PHE 62 HN PHE 62 -13.255 -7.486 -10.707 181 H THR 63 HN THR 63 -9.171 -8.347 -11.190 182 HG1 THR 63 HG1 THR 63 -9.891 -8.876 -12.817 183 H SER 64 HN SER 64 -7.370 -12.407 -11.077 184 HG SER 64 HG SER 64 -6.378 -13.129 -8.642 185 H GLN 65 HN GLN 65 -6.011 -10.872 -12.747 186 HE21 GLN 65 HE21 GLN 65 -3.876 -13.042 -13.785 187 HE22 GLN 65 HE22 GLN 65 -2.263 -13.286 -14.361 188 H THR 66 HN THR 66 -5.979 -8.465 -12.570 189 HG1 THR 66 HG1 THR 66 -8.124 -6.766 -13.370 190 H ALA 67 HN ALA 67 -6.103 -7.840 -10.396 191 H ARG 68 HN ARG 68 -2.710 -6.951 -8.232 192 HE ARG 68 HE ARG 68 -1.628 -7.209 -12.721 193 HH11 ARG 68 HH11 ARG 68 1.543 -6.715 -11.296 194 HH12 ARG 68 HH12 ARG 68 2.336 -6.530 -12.829 195 HH21 ARG 68 HH21 ARG 68 -0.565 -6.967 -14.733 196 HH22 ARG 68 HH22 ARG 68 1.144 -6.680 -14.771 197 H GLN 70 HN GLN 70 1.118 -8.466 -6.332 198 HE21 GLN 70 HE21 GLN 70 5.142 -7.290 -9.149 199 HE22 GLN 70 HE22 GLN 70 4.266 -6.289 -10.246 200 H ALA 71 HN ALA 71 0.085 -6.540 -6.154 201 H ALA 73 HN ALA 73 -5.880 -4.449 -6.103 202 H THR 74 HN THR 74 -5.761 -0.147 -7.186 203 HG1 THR 74 HG1 THR 74 -4.139 2.362 -7.069 204 H VAL 75 HN VAL 75 -8.480 0.957 -3.849 205 H GLY 76 HN GLY 76 -11.698 3.663 -5.172 206 H LEU 77 HN LEU 77 -11.748 5.404 -1.008 207 H ALA 78 HN ALA 78 -15.910 6.195 -0.760 208 H PHE 79 HN PHE 79 -16.133 8.967 2.584 209 H ARG 80 HN ARG 80 -20.414 8.515 2.704 210 HE ARG 80 HE ARG 80 -24.836 9.735 2.208 211 HH11 ARG 80 HH11 ARG 80 -25.947 10.853 -0.930 212 HH12 ARG 80 HH12 ARG 80 -27.319 9.786 -0.956 213 HH21 ARG 80 HH21 ARG 80 -26.599 8.315 2.157 214 HH22 ARG 80 HH22 ARG 80 -27.691 8.345 0.800 215 H ALA 81 HN ALA 81 -20.516 12.622 4.232 216 H ASP 82 HN ASP 82 -23.340 13.741 7.407 217 H ASP 83 HN ASP 83 -22.896 18.064 5.922 218 H THR 84 HN THR 84 -20.299 16.648 6.833 219 HG1 THR 84 HG1 THR 84 -18.768 16.261 8.444 220 H PHE 85 HN PHE 85 -17.370 18.739 4.755 221 H GLU 86 HN GLU 86 -15.831 16.790 4.149 222 H ALA 87 HN ALA 87 -16.637 14.631 2.723 223 H LEU 88 HN LEU 88 -16.909 15.424 0.118 224 H CYS 89 HN CYS 89 -14.500 15.390 -0.492 225 HG CYS 89 HG CYS 89 -14.289 17.675 -0.265 226 H ILE 90 HN ILE 90 -13.731 13.321 -1.113 227 H GLU 91 HN GLU 91 -14.559 12.160 -2.624 228 H PHE 93 HN PHE 93 -15.298 10.488 -7.433 229 H SER 94 HN SER 94 -15.408 12.724 -7.779 230 HG SER 94 HG SER 94 -17.438 13.458 -6.268 231 H SER 95 HN SER 95 -14.027 14.012 -7.143 232 HG SER 95 HG SER 95 -13.906 15.817 -5.149 233 H GLU 98 HN GLU 98 -6.580 11.673 -4.906 234 H LEU 99 HN LEU 99 -3.017 13.759 -6.028 235 H ASP 101 HN ASP 101 2.014 16.915 -6.243 236 H VAL 102 HN VAL 102 4.617 16.746 -6.528 237 H MET 103 HN MET 103 4.821 14.294 -7.115 238 H LYS 104 HN LYS 104 5.765 13.414 -10.034 239 HZ1 LYS 104 HZ1 LYS 104 -0.510 16.676 -10.806 240 HZ2 LYS 104 HZ2 LYS 104 -0.123 17.070 -12.402 241 HZ3 LYS 104 HZ3 LYS 104 1.045 17.238 -11.185 242 H GLN 106 HN GLN 106 6.613 10.768 -13.173 243 HE21 GLN 106 HE21 GLN 106 9.866 12.351 -9.981 244 HE22 GLN 106 HE22 GLN 106 8.411 12.732 -9.127 245 H ASP 107 HN ASP 107 9.472 7.420 -13.766 246 H SER 108 HN SER 108 6.800 4.498 -16.028 247 HG SER 108 HG SER 108 3.108 4.331 -15.022 248 H GLY 109 HN GLY 109 5.658 1.977 -12.402 249 H SER 110 HN SER 110 7.067 -1.923 -11.674 250 HG SER 110 HG SER 110 7.205 -3.601 -10.832 251 H SER 111 HN SER 111 5.174 -2.402 -10.892 252 HG SER 111 HG SER 111 5.419 -3.134 -9.074 253 H ALA 112 HN ALA 112 0.720 -2.984 -10.265 254 H ASN 113 HN ASN 113 -0.095 1.434 -11.103 255 HD21 ASN 113 HD21 ASN 113 0.463 4.033 -6.572 256 HD22 ASN 113 HD22 ASN 113 -0.706 5.306 -6.564 257 H GLU 114 HN GLU 114 2.321 1.029 -9.964 258 H GLN 115 HN GLN 115 5.576 3.601 -8.228 259 HE21 GLN 115 HE21 GLN 115 4.457 8.633 -10.685 260 HE22 GLN 115 HE22 GLN 115 3.907 9.647 -9.395 261 H ALA 116 HN ALA 116 8.056 4.987 -11.658 262 H VAL 117 HN VAL 117 10.947 5.943 -8.948 263 H GLN 118 HN GLN 118 12.695 9.394 -11.356 264 HE21 GLN 118 HE21 GLN 118 13.329 6.212 -14.790 265 HE22 GLN 118 HE22 GLN 118 11.652 6.381 -14.414 266 H1 VAL 1 HN VAL 1 -2.934 -5.298 12.156 267 H LYS 2 HN LYS 2 -1.763 -1.055 12.932 268 HZ1 LYS 2 HZ1 LYS 2 -3.950 6.578 13.295 269 HZ2 LYS 2 HZ2 LYS 2 -4.688 5.172 13.891 270 HZ3 LYS 2 HZ3 LYS 2 -5.321 5.958 12.518 271 H LEU 3 HN LEU 3 -0.564 0.666 9.229 272 H ILE 4 HN ILE 4 2.247 3.688 10.973 273 H SER 5 HN SER 5 1.795 6.757 7.985 274 HG SER 5 HG SER 5 2.052 6.412 5.859 275 H SER 6 HN SER 6 5.746 8.999 7.600 276 HG SER 6 HG SER 6 7.704 10.388 6.895 277 H ASP 7 HN ASP 7 3.681 10.227 6.373 278 H GLY 8 HN GLY 8 1.879 11.038 7.671 279 H HIS 9 HN HIS 9 0.494 9.198 6.723 280 HD1 HIS 9 HD1 HIS 9 -2.315 6.098 3.479 281 H GLU 10 HN GLU 10 -3.265 6.964 6.334 282 H PHE 11 HN PHE 11 -1.377 3.243 7.750 283 H ILE 12 HN ILE 12 -4.120 0.607 5.957 284 H VAL 13 HN VAL 13 -2.805 -2.880 8.227 285 H LYS 14 HN LYS 14 -3.860 -6.270 5.489 286 HZ1 LYS 14 HZ1 LYS 14 -9.377 -12.161 4.002 287 HZ2 LYS 14 HZ2 LYS 14 -8.071 -12.808 4.864 288 HZ3 LYS 14 HZ3 LYS 14 -7.807 -12.028 3.378 289 H ARG 15 HN ARG 15 -5.452 -8.475 9.163 290 HE ARG 15 HE ARG 15 -3.067 -10.574 14.845 291 HH11 ARG 15 HH11 ARG 15 -6.494 -10.245 15.467 292 HH12 ARG 15 HH12 ARG 15 -6.343 -10.543 17.171 293 HH21 ARG 15 HH21 ARG 15 -2.861 -10.955 17.090 294 HH22 ARG 15 HH22 ARG 15 -4.274 -10.942 18.098 295 H GLU 16 HN GLU 16 -4.922 -11.030 8.287 296 H HIS 17 HN HIS 17 -2.715 -10.767 6.623 297 HE2 HIS 17 HE2 HIS 17 -3.842 -11.609 1.623 298 H ALA 18 HN ALA 18 -1.129 -9.847 8.027 299 H LEU 19 HN LEU 19 -0.352 -11.794 9.533 300 H THR 20 HN THR 20 1.409 -13.686 8.328 301 HG1 THR 20 HG1 THR 20 1.578 -15.977 6.969 302 H SER 21 HN SER 21 3.239 -11.841 7.826 303 HG SER 21 HG SER 21 2.972 -10.235 6.533 304 H GLY 22 HN GLY 22 4.136 -11.372 10.257 305 H THR 23 HN THR 23 5.684 -13.317 10.522 306 HG1 THR 23 HG1 THR 23 4.807 -14.974 11.562 307 H ILE 24 HN ILE 24 7.777 -13.077 9.518 308 H LYS 25 HN LYS 25 12.393 -13.157 9.263 309 HZ1 LYS 25 HZ1 LYS 25 19.269 -12.911 12.270 310 HZ2 LYS 25 HZ2 LYS 25 19.951 -11.369 12.168 311 HZ3 LYS 25 HZ3 LYS 25 19.398 -12.144 10.770 312 H ALA 26 HN ALA 26 12.187 -9.688 11.974 313 H MET 27 HN MET 27 12.603 -5.442 10.880 314 H LEU 28 HN LEU 28 11.833 -6.556 13.780 315 H SER 29 HN SER 29 12.804 -6.515 16.133 316 HG SER 29 HG SER 29 12.475 -8.278 18.895 317 H GLY 30 HN GLY 30 13.144 -3.890 16.341 318 H GLY 32 HN GLY 32 13.432 1.329 21.246 319 H GLN 33 HN GLN 33 11.256 0.009 22.813 320 HE21 GLN 33 HE21 GLN 33 9.395 -4.402 27.679 321 HE22 GLN 33 HE22 GLN 33 8.708 -3.371 28.889 322 H PHE 34 HN PHE 34 9.692 -3.470 21.922 323 H ALA 35 HN ALA 35 6.285 -1.222 22.299 324 H GLU 36 HN GLU 36 2.482 -3.118 23.984 325 H ASN 37 HN ASN 37 1.478 -0.835 22.924 326 HD21 ASN 37 HD21 ASN 37 0.427 3.712 23.515 327 HD22 ASN 37 HD22 ASN 37 -0.614 3.096 24.753 328 H GLU 38 HN GLU 38 3.044 -0.131 20.870 329 H THR 39 HN THR 39 2.399 -2.047 19.430 330 HG1 THR 39 HG1 THR 39 3.419 -3.694 19.618 331 H ASN 40 HN ASN 40 0.151 -1.788 18.488 332 HD21 ASN 40 HD21 ASN 40 -3.841 -3.188 18.551 333 HD22 ASN 40 HD22 ASN 40 -5.312 -2.649 17.816 334 H GLU 41 HN GLU 41 -0.094 0.438 17.257 335 H VAL 42 HN VAL 42 1.371 0.995 13.506 336 H ASN 43 HN ASN 43 4.238 3.690 15.051 337 HD21 ASN 43 HD21 ASN 43 1.987 7.540 14.138 338 HD22 ASN 43 HD22 ASN 43 2.621 9.000 13.463 339 H PHE 44 HN PHE 44 5.171 5.678 11.218 340 H ARG 45 HN ARG 45 9.578 6.697 11.501 341 HE ARG 45 HE ARG 45 6.290 9.290 13.972 342 HH11 ARG 45 HH11 ARG 45 8.266 11.708 15.563 343 HH12 ARG 45 HH12 ARG 45 7.221 11.831 16.942 344 HH21 ARG 45 HH21 ARG 45 4.916 9.455 15.783 345 HH22 ARG 45 HH22 ARG 45 5.313 10.555 17.063 346 H GLU 46 HN GLU 46 9.474 10.694 9.580 347 H ILE 47 HN ILE 47 9.124 8.804 7.780 348 H SER 49 HN SER 49 4.837 9.106 2.648 349 HG SER 49 HG SER 49 3.226 9.715 2.006 350 H HIS 50 HN HIS 50 4.982 8.108 0.265 351 HE2 HIS 50 HE2 HIS 50 3.491 8.089 -6.080 352 H VAL 51 HN VAL 51 7.393 6.451 -0.151 353 H LEU 52 HN LEU 52 6.653 4.746 1.661 354 H SER 53 HN SER 53 4.623 3.435 0.663 355 HG SER 53 HG SER 53 2.833 4.238 0.224 356 H LYS 54 HN LYS 54 5.778 1.706 -1.052 357 HZ1 LYS 54 HZ1 LYS 54 8.417 -1.526 -6.691 358 HZ2 LYS 54 HZ2 LYS 54 8.388 -2.374 -5.225 359 HZ3 LYS 54 HZ3 LYS 54 9.631 -2.652 -6.331 360 H VAL 55 HN VAL 55 6.755 -0.003 0.571 361 H CYS 56 HN CYS 56 4.864 -1.232 1.856 362 HG CYS 56 HG CYS 56 3.333 -1.326 4.797 363 H MET 57 HN MET 57 3.791 -2.559 -0.272 364 H TYR 58 HN TYR 58 5.698 -4.222 -0.869 365 HH TYR 58 HH TYR 58 12.979 -8.825 -1.209 366 H PHE 59 HN PHE 59 5.874 -5.883 1.263 367 H THR 60 HN THR 60 3.473 -7.108 1.154 368 HG1 THR 60 HG1 THR 60 1.555 -6.126 1.187 369 H TYR 61 HN TYR 61 3.829 -8.480 -1.134 370 HH TYR 61 HH TYR 61 7.053 -12.757 -7.820 371 H LYS 62 HN LYS 62 5.827 -10.119 -0.547 372 HZ1 LYS 62 HZ1 LYS 62 13.010 -12.389 -1.125 373 HZ2 LYS 62 HZ2 LYS 62 12.106 -10.961 -1.234 374 HZ3 LYS 62 HZ3 LYS 62 11.766 -12.264 -2.269 375 H VAL 63 HN VAL 63 4.582 -11.716 1.322 376 H ARG 64 HN ARG 64 2.712 -13.267 -0.122 377 HE ARG 64 HE ARG 64 -2.315 -13.363 0.352 378 HH11 ARG 64 HH11 ARG 64 -2.292 -16.086 -1.828 379 HH12 ARG 64 HH12 ARG 64 -3.998 -16.004 -2.166 380 HH21 ARG 64 HH21 ARG 64 -4.577 -13.233 -0.080 381 HH22 ARG 64 HH22 ARG 64 -5.288 -14.377 -1.193 382 H TYR 65 HN TYR 65 4.331 -14.283 -1.765 383 HH TYR 65 HH TYR 65 11.346 -16.289 -6.263 384 H THR 66 HN THR 66 5.873 -16.026 -0.272 385 HG1 THR 66 HG1 THR 66 7.467 -15.461 0.710 386 H ASN 67 HN ASN 67 4.276 -18.200 -0.655 387 HD21 ASN 67 HD21 ASN 67 -0.268 -18.549 1.587 388 HD22 ASN 67 HD22 ASN 67 -0.551 -19.766 2.780 389 H SER 68 HN SER 68 2.693 -18.825 -1.729 390 HG SER 68 HG SER 68 -0.302 -20.284 -0.924 391 H SER 69 HN SER 69 2.499 -18.066 -3.441 392 HG SER 69 HG SER 69 0.968 -16.701 -5.054 393 H THR 70 HN THR 70 4.555 -20.144 -4.922 394 HG1 THR 70 HG1 THR 70 6.116 -19.886 -2.862 395 H GLU 71 HN GLU 71 5.032 -20.582 -7.116 396 H ILE 72 HN ILE 72 5.857 -18.557 -8.362 397 H GLU 74 HN GLU 74 11.488 -13.987 -8.951 398 H PHE 75 HN PHE 75 10.212 -10.395 -6.420 399 H ILE 77 HN ILE 77 13.013 -7.840 -11.941 400 H ALA 78 HN ALA 78 12.241 -4.303 -11.643 401 H GLU 80 HN GLU 80 14.043 1.296 -10.868 402 H ILE 81 HN ILE 81 13.450 0.571 -7.502 403 H ALA 82 HN ALA 82 15.171 0.066 -5.857 404 H LEU 83 HN LEU 83 17.182 0.554 -4.611 405 H GLU 84 HN GLU 84 16.359 2.622 -3.413 406 H LEU 85 HN LEU 85 14.923 1.838 -1.279 407 H LEU 86 HN LEU 86 16.509 0.543 -0.087 408 H MET 87 HN MET 87 18.067 2.437 0.913 409 H ALA 88 HN ALA 88 17.154 2.703 3.481 410 H ALA 89 HN ALA 89 18.578 1.324 5.161 411 H ASN 90 HN ASN 90 18.416 1.945 8.780 412 HD21 ASN 90 HD21 ASN 90 16.679 2.458 13.338 413 HD22 ASN 90 HD22 ASN 90 17.167 1.273 14.496 414 H PHE 91 HN PHE 91 17.103 -0.859 8.111 Start of MODEL 10 1 H1 GLY 6 HT1 GLY 6 18.553 -3.352 9.234 2 H2 GLY 6 HT2 GLY 6 17.435 -3.526 7.972 3 H3 GLY 6 HT3 GLY 6 19.042 -4.033 7.767 4 H SER 7 HN SER 7 15.396 -5.611 8.798 5 HG SER 7 HG SER 7 13.500 -4.931 8.266 6 H LEU 8 HN LEU 8 14.169 -4.613 6.307 7 H GLN 9 HN GLN 9 16.582 -4.156 5.478 8 HE21 GLN 9 HE21 GLN 9 22.423 -1.790 5.355 9 HE22 GLN 9 HE22 GLN 9 22.646 -1.806 7.071 10 H TYR 10 HN TYR 10 17.403 -6.407 4.156 11 HH TYR 10 HH TYR 10 18.014 -13.649 -0.015 12 H LEU 11 HN LEU 11 15.901 -7.280 2.956 13 H ALA 12 HN ALA 12 15.760 -5.374 0.936 14 H LEU 13 HN LEU 13 17.829 -5.755 -0.678 15 H ALA 14 HN ALA 14 17.142 -7.997 -1.524 16 H ALA 15 HN ALA 15 15.613 -7.408 -3.374 17 H LEU 16 HN LEU 16 16.002 -5.839 -5.129 18 H ILE 17 HN ILE 17 18.632 -6.020 -8.435 19 H LYS 18 HN LYS 18 20.940 -3.063 -6.223 20 HZ1 LYS 18 HZ1 LYS 18 16.850 2.860 -7.307 21 HZ2 LYS 18 HZ2 LYS 18 17.145 4.068 -8.459 22 HZ3 LYS 18 HZ3 LYS 18 17.639 4.287 -6.845 23 H LYS 20 HN LYS 20 23.496 1.045 -7.660 24 HZ1 LYS 20 HZ1 LYS 20 22.079 5.496 -13.339 25 HZ2 LYS 20 HZ2 LYS 20 23.144 4.235 -12.981 26 HZ3 LYS 20 HZ3 LYS 20 22.895 5.475 -11.854 27 H GLN 21 HN GLN 21 25.298 5.186 -8.029 28 HE21 GLN 21 HE21 GLN 21 29.890 4.246 -7.372 29 HE22 GLN 21 HE22 GLN 21 30.433 4.039 -5.744 30 H ILE 22 HN ILE 22 26.221 6.330 -3.686 31 H LYS 23 HN LYS 23 22.736 8.773 -2.204 32 HZ1 LYS 23 HZ1 LYS 23 27.005 14.048 -1.789 33 HZ2 LYS 23 HZ2 LYS 23 27.487 15.419 -2.653 34 HZ3 LYS 23 HZ3 LYS 23 27.295 13.945 -3.458 35 H LEU 26 HN LEU 26 17.339 14.005 -2.560 36 H SER 28 HN SER 28 14.315 18.264 -2.223 37 HG SER 28 HG SER 28 14.299 20.313 -3.595 38 H VAL 29 HN VAL 29 13.005 16.071 -2.896 39 H ARG 30 HN ARG 30 10.953 12.375 -3.357 40 HE ARG 30 HE ARG 30 8.083 12.538 -0.016 41 HH11 ARG 30 HH11 ARG 30 5.238 10.592 -0.666 42 HH12 ARG 30 HH12 ARG 30 4.358 11.204 0.700 43 HH21 ARG 30 HH21 ARG 30 6.910 13.373 1.747 44 HH22 ARG 30 HH22 ARG 30 5.301 12.789 2.079 45 H LYS 31 HN LYS 31 13.670 11.680 -2.586 46 HZ1 LYS 31 HZ1 LYS 31 17.207 6.673 -5.980 47 HZ2 LYS 31 HZ2 LYS 31 17.651 8.314 -6.036 48 HZ3 LYS 31 HZ3 LYS 31 18.103 7.270 -7.289 49 H LEU 32 HN LEU 32 16.361 8.312 -2.798 50 H THR 33 HN THR 33 20.057 11.056 -3.119 51 HG1 THR 33 HG1 THR 33 20.487 13.421 -3.129 52 H GLU 34 HN GLU 34 21.511 11.146 -7.457 53 H ASP 35 HN ASP 35 25.222 9.489 -6.184 54 H ARG 36 HN ARG 36 27.198 10.510 -4.576 55 HE ARG 36 HE ARG 36 30.259 7.710 -2.795 56 HH11 ARG 36 HH11 ARG 36 33.296 6.120 -3.521 57 HH12 ARG 36 HH12 ARG 36 32.885 4.670 -2.662 58 HH21 ARG 36 HH21 ARG 36 29.717 5.813 -1.668 59 HH22 ARG 36 HH22 ARG 36 30.840 4.494 -1.609 60 H TRP 37 HN TRP 37 28.986 11.389 -3.137 61 HE1 TRP 37 HE1 TRP 37 29.761 6.848 1.814 62 H1 MET 1 HT1 MET 1 -7.857 -16.207 -8.290 63 H2 MET 1 HT2 MET 1 -9.272 -15.582 -8.984 64 H3 MET 1 HT3 MET 1 -8.874 -17.214 -9.185 65 H ASP 2 HN ASP 2 -7.391 -15.756 -6.530 66 H VAL 3 HN VAL 3 -8.531 -12.295 -3.756 67 H PHE 4 HN PHE 4 -6.626 -8.919 -5.536 68 H LEU 5 HN LEU 5 -7.344 -6.298 -2.318 69 H MET 6 HN MET 6 -7.272 -1.990 -3.428 70 H ILE 7 HN ILE 7 -8.314 -0.853 0.400 71 H ARG 8 HN ARG 8 -9.061 3.033 -1.292 72 HE ARG 8 HE ARG 8 -4.714 7.950 0.023 73 HH11 ARG 8 HH11 ARG 8 -4.731 8.183 -3.485 74 HH12 ARG 8 HH12 ARG 8 -3.870 9.690 -3.499 75 HH21 ARG 8 HH21 ARG 8 -3.628 9.902 0.002 76 HH22 ARG 8 HH22 ARG 8 -3.265 10.700 -1.497 77 H ARG 9 HN ARG 9 -8.802 5.067 2.336 78 HE ARG 9 HE ARG 9 -10.206 7.199 6.391 79 HH11 ARG 9 HH11 ARG 9 -12.501 9.668 5.425 80 HH12 ARG 9 HH12 ARG 9 -11.535 10.989 6.015 81 HH21 ARG 9 HH21 ARG 9 -8.941 8.912 7.198 82 HH22 ARG 9 HH22 ARG 9 -9.512 10.547 7.048 83 H HIS 10 HN HIS 10 -8.927 8.026 0.440 84 HE2 HIS 10 HE2 HIS 10 -5.530 14.068 0.637 85 H LYS 11 HN LYS 11 -7.384 9.754 3.830 86 HZ1 LYS 11 HZ1 LYS 11 -1.340 12.559 2.920 87 HZ2 LYS 11 HZ2 LYS 11 -1.056 13.064 4.511 88 HZ3 LYS 11 HZ3 LYS 11 -1.406 14.203 3.310 89 H THR 12 HN THR 12 -7.357 7.650 4.551 90 HG1 THR 12 HG1 THR 12 -7.411 7.065 7.734 91 H THR 13 HN THR 13 -4.888 4.206 4.657 92 HG1 THR 13 HG1 THR 13 -3.797 4.341 0.890 93 H ILE 14 HN ILE 14 -7.433 1.243 2.688 94 H PHE 15 HN PHE 15 -5.319 -2.302 3.988 95 H THR 16 HN THR 16 -7.280 -4.292 0.590 96 HG1 THR 16 HG1 THR 16 -9.022 -3.564 1.833 97 H ASP 17 HN ASP 17 -7.817 -8.059 2.350 98 H ALA 18 HN ALA 18 -9.006 -9.924 -1.266 99 H LYS 19 HN LYS 19 -12.587 -12.281 -1.745 100 HZ1 LYS 19 HZ1 LYS 19 -7.664 -14.614 -0.919 101 HZ2 LYS 19 HZ2 LYS 19 -7.897 -14.199 0.710 102 HZ3 LYS 19 HZ3 LYS 19 -8.729 -13.368 -0.502 103 H GLU 20 HN GLU 20 -11.949 -14.301 -5.672 104 H SER 21 HN SER 21 -14.451 -14.905 -5.047 105 HG SER 21 HG SER 21 -15.200 -17.681 -4.340 106 H SER 22 HN SER 22 -15.412 -13.043 -3.739 107 HG SER 22 HG SER 22 -15.483 -13.182 -0.937 108 H THR 23 HN THR 23 -18.826 -10.595 -1.840 109 HG1 THR 23 HG1 THR 23 -20.588 -10.243 -1.250 110 H VAL 24 HN VAL 24 -19.818 -6.906 -4.322 111 H PHE 25 HN PHE 25 -21.110 -6.096 -2.273 112 H GLU 26 HN GLU 26 -20.025 -7.465 -0.272 113 H LEU 27 HN LEU 27 -17.769 -6.200 0.092 114 H LYS 28 HN LYS 28 -18.311 -3.863 1.312 115 HZ1 LYS 28 HZ1 LYS 28 -22.372 -0.329 -1.354 116 HZ2 LYS 28 HZ2 LYS 28 -21.723 1.088 -2.019 117 HZ3 LYS 28 HZ3 LYS 28 -22.408 1.122 -0.476 118 H ARG 29 HN ARG 29 -19.011 -4.863 3.594 119 HE ARG 29 HE ARG 29 -21.683 -8.018 7.050 120 HH11 ARG 29 HH11 ARG 29 -21.550 -9.873 4.085 121 HH12 ARG 29 HH12 ARG 29 -21.141 -11.356 4.880 122 HH21 ARG 29 HH21 ARG 29 -21.129 -9.986 8.104 123 HH22 ARG 29 HH22 ARG 29 -20.881 -11.419 7.157 124 H ILE 30 HN ILE 30 -16.792 -5.525 4.659 125 H VAL 31 HN VAL 31 -15.389 -3.460 5.019 126 H GLU 32 HN GLU 32 -16.925 -2.516 6.870 127 H GLY 33 HN GLY 33 -16.234 -3.667 9.320 128 H ILE 34 HN ILE 34 -14.134 -2.334 9.663 129 H LEU 35 HN LEU 35 -13.660 0.191 9.362 130 H LYS 36 HN LYS 36 -15.198 0.409 11.238 131 HZ1 LYS 36 HZ1 LYS 36 -12.421 2.046 17.669 132 HZ2 LYS 36 HZ2 LYS 36 -11.884 0.477 18.000 133 HZ3 LYS 36 HZ3 LYS 36 -13.473 0.920 18.366 134 H ARG 37 HN ARG 37 -17.241 1.851 10.239 135 HE ARG 37 HE ARG 37 -14.371 5.964 10.663 136 HH11 ARG 37 HH11 ARG 37 -16.188 8.817 9.754 137 HH12 ARG 37 HH12 ARG 37 -15.020 9.917 10.407 138 HH21 ARG 37 HH21 ARG 37 -12.834 7.416 11.520 139 HH22 ARG 37 HH22 ARG 37 -13.109 9.126 11.408 140 H ASP 40 HN ASP 40 -23.767 1.669 5.609 141 H GLU 41 HN GLU 41 -22.962 3.992 4.897 142 H GLN 42 HN GLN 42 -21.478 3.571 3.082 143 HE21 GLN 42 HE21 GLN 42 -18.718 1.702 6.330 144 HE22 GLN 42 HE22 GLN 42 -17.934 0.187 6.046 145 H ARG 43 HN ARG 43 -18.364 5.322 0.345 146 HE ARG 43 HE ARG 43 -23.350 7.463 -1.853 147 HH11 ARG 43 HH11 ARG 43 -22.481 4.347 -0.500 148 HH12 ARG 43 HH12 ARG 43 -23.866 4.279 0.548 149 HH21 ARG 43 HH21 ARG 43 -25.168 7.359 -0.493 150 HH22 ARG 43 HH22 ARG 43 -25.406 5.973 0.529 151 H LEU 44 HN LEU 44 -18.654 2.580 -2.741 152 H TYR 45 HN TYR 45 -14.796 3.824 -4.353 153 HH TYR 45 HH TYR 45 -19.784 9.230 -5.789 154 H LYS 46 HN LYS 46 -15.135 2.381 -8.342 155 HZ1 LYS 46 HZ1 LYS 46 -13.398 -2.579 -12.141 156 HZ2 LYS 46 HZ2 LYS 46 -11.909 -3.226 -12.615 157 HZ3 LYS 46 HZ3 LYS 46 -12.039 -1.569 -12.281 158 H ASP 47 HN ASP 47 -11.187 2.598 -10.121 159 H ASP 48 HN ASP 48 -12.199 4.963 -10.551 160 H GLN 49 HN GLN 49 -14.760 4.358 -10.807 161 HE21 GLN 49 HE21 GLN 49 -17.108 6.949 -13.297 162 HE22 GLN 49 HE22 GLN 49 -18.744 7.352 -13.707 163 H LEU 50 HN LEU 50 -19.144 4.543 -10.229 164 H LEU 51 HN LEU 51 -18.630 1.575 -6.770 165 H ASP 52 HN ASP 52 -20.284 -2.364 -8.461 166 H ASP 53 HN ASP 53 -23.614 -2.084 -5.581 167 H GLY 54 HN GLY 54 -24.673 -4.480 -6.111 168 H LYS 55 HN LYS 55 -22.779 -6.017 -6.662 169 HZ1 LYS 55 HZ1 LYS 55 -25.056 -5.014 -12.827 170 HZ2 LYS 55 HZ2 LYS 55 -24.361 -4.548 -11.350 171 HZ3 LYS 55 HZ3 LYS 55 -25.057 -6.080 -11.519 172 H THR 56 HN THR 56 -20.695 -9.647 -8.350 173 HG1 THR 56 HG1 THR 56 -20.041 -11.336 -8.933 174 H LEU 57 HN LEU 57 -16.743 -10.007 -6.130 175 H GLY 58 HN GLY 58 -15.896 -11.065 -8.390 176 H GLU 59 HN GLU 59 -17.589 -10.010 -10.169 177 H CYS 60 HN CYS 60 -16.898 -7.681 -10.345 178 HG CYS 60 HG CYS 60 -18.454 -6.581 -8.571 179 H GLY 61 HN GLY 61 -15.149 -7.542 -12.102 180 H PHE 62 HN PHE 62 -12.765 -8.460 -11.149 181 H THR 63 HN THR 63 -10.115 -8.690 -12.239 182 HG1 THR 63 HG1 THR 63 -8.742 -8.728 -13.695 183 H SER 64 HN SER 64 -7.455 -12.426 -11.667 184 HG SER 64 HG SER 64 -5.759 -14.845 -11.690 185 H GLN 65 HN GLN 65 -5.946 -10.762 -13.090 186 HE21 GLN 65 HE21 GLN 65 -3.396 -12.658 -13.872 187 HE22 GLN 65 HE22 GLN 65 -1.734 -12.750 -14.338 188 H THR 66 HN THR 66 -6.105 -8.459 -12.524 189 HG1 THR 66 HG1 THR 66 -7.803 -7.600 -11.555 190 H ALA 67 HN ALA 67 -5.993 -8.237 -10.361 191 H ARG 68 HN ARG 68 -2.895 -7.130 -7.933 192 HE ARG 68 HE ARG 68 -1.754 -7.088 -12.455 193 HH11 ARG 68 HH11 ARG 68 1.404 -6.182 -11.240 194 HH12 ARG 68 HH12 ARG 68 2.032 -5.767 -12.806 195 HH21 ARG 68 HH21 ARG 68 -0.929 -6.561 -14.516 196 HH22 ARG 68 HH22 ARG 68 0.700 -5.991 -14.673 197 H GLN 70 HN GLN 70 1.090 -8.542 -6.268 198 HE21 GLN 70 HE21 GLN 70 5.026 -7.878 -9.353 199 HE22 GLN 70 HE22 GLN 70 4.286 -6.794 -10.476 200 H ALA 71 HN ALA 71 0.047 -6.628 -6.069 201 H ALA 73 HN ALA 73 -5.819 -4.546 -6.272 202 H THR 74 HN THR 74 -5.974 -0.193 -7.448 203 HG1 THR 74 HG1 THR 74 -4.395 0.772 -6.325 204 H VAL 75 HN VAL 75 -8.491 1.089 -3.973 205 H GLY 76 HN GLY 76 -11.586 3.839 -5.210 206 H LEU 77 HN LEU 77 -11.789 5.734 -1.041 207 H ALA 78 HN ALA 78 -15.827 6.356 -1.096 208 H PHE 79 HN PHE 79 -16.265 9.259 2.256 209 H ARG 80 HN ARG 80 -20.464 8.292 2.807 210 HE ARG 80 HE ARG 80 -25.154 8.679 3.235 211 HH11 ARG 80 HH11 ARG 80 -26.769 9.315 0.190 212 HH12 ARG 80 HH12 ARG 80 -27.859 7.971 0.337 213 HH21 ARG 80 HH21 ARG 80 -26.558 6.875 3.417 214 HH22 ARG 80 HH22 ARG 80 -27.723 6.571 2.156 215 H ALA 81 HN ALA 81 -20.410 12.292 4.178 216 H ASP 82 HN ASP 82 -23.236 13.307 7.257 217 H ASP 83 HN ASP 83 -23.102 17.596 5.714 218 H THR 84 HN THR 84 -20.598 16.699 5.902 219 HG1 THR 84 HG1 THR 84 -19.717 15.931 7.822 220 H PHE 85 HN PHE 85 -17.278 18.856 4.972 221 H GLU 86 HN GLU 86 -15.613 16.928 4.330 222 H ALA 87 HN ALA 87 -16.599 14.924 2.818 223 H LEU 88 HN LEU 88 -16.386 15.803 0.310 224 H CYS 89 HN CYS 89 -14.184 15.026 -0.515 225 HG CYS 89 HG CYS 89 -13.283 17.852 -1.102 226 H ILE 90 HN ILE 90 -13.648 13.049 -1.064 227 H GLU 91 HN GLU 91 -14.057 12.456 -3.287 228 H PHE 93 HN PHE 93 -15.565 10.373 -7.684 229 H SER 94 HN SER 94 -15.662 12.754 -7.880 230 HG SER 94 HG SER 94 -17.639 13.661 -6.208 231 H SER 95 HN SER 95 -14.207 14.073 -7.142 232 HG SER 95 HG SER 95 -13.852 16.336 -5.113 233 H GLU 98 HN GLU 98 -6.383 11.595 -4.773 234 H LEU 99 HN LEU 99 -2.917 14.034 -6.065 235 H ASP 101 HN ASP 101 2.211 17.229 -6.536 236 H VAL 102 HN VAL 102 4.781 16.906 -6.401 237 H MET 103 HN MET 103 5.006 14.502 -7.004 238 H LYS 104 HN LYS 104 5.870 13.508 -9.665 239 HZ1 LYS 104 HZ1 LYS 104 1.253 15.303 -15.497 240 HZ2 LYS 104 HZ2 LYS 104 2.487 14.534 -14.633 241 HZ3 LYS 104 HZ3 LYS 104 2.025 16.104 -14.223 242 H GLN 106 HN GLN 106 6.481 10.628 -13.313 243 HE21 GLN 106 HE21 GLN 106 9.411 12.104 -9.519 244 HE22 GLN 106 HE22 GLN 106 8.151 12.023 -8.338 245 H ASP 107 HN ASP 107 9.310 7.251 -13.551 246 H SER 108 HN SER 108 7.053 4.153 -15.921 247 HG SER 108 HG SER 108 4.341 4.841 -15.375 248 H GLY 109 HN GLY 109 5.827 1.760 -12.339 249 H SER 110 HN SER 110 7.035 -2.027 -11.381 250 HG SER 110 HG SER 110 7.208 -3.437 -10.375 251 H SER 111 HN SER 111 5.199 -2.540 -10.286 252 HG SER 111 HG SER 111 3.799 -4.130 -7.228 253 H ALA 112 HN ALA 112 0.634 -2.877 -9.816 254 H ASN 113 HN ASN 113 0.341 1.077 -11.852 255 HD21 ASN 113 HD21 ASN 113 0.260 5.263 -8.828 256 HD22 ASN 113 HD22 ASN 113 -0.913 6.297 -9.571 257 H GLU 114 HN GLU 114 2.540 1.064 -10.545 258 H GLN 115 HN GLN 115 5.107 3.848 -8.188 259 HE21 GLN 115 HE21 GLN 115 5.344 8.639 -8.957 260 HE22 GLN 115 HE22 GLN 115 4.416 9.724 -7.985 261 H ALA 116 HN ALA 116 7.748 5.162 -11.495 262 H VAL 117 HN VAL 117 10.977 5.910 -9.002 263 H GLN 118 HN GLN 118 13.019 7.979 -12.055 264 HE21 GLN 118 HE21 GLN 118 13.715 4.626 -12.288 265 HE22 GLN 118 HE22 GLN 118 12.101 4.606 -12.927 266 H1 VAL 1 HN VAL 1 -2.907 -5.372 12.054 267 H LYS 2 HN LYS 2 -1.875 -1.056 12.702 268 HZ1 LYS 2 HZ1 LYS 2 -4.452 5.394 13.790 269 HZ2 LYS 2 HZ2 LYS 2 -5.718 4.430 13.210 270 HZ3 LYS 2 HZ3 LYS 2 -5.117 5.691 12.253 271 H LEU 3 HN LEU 3 -0.540 0.666 9.008 272 H ILE 4 HN ILE 4 2.006 3.704 11.014 273 H SER 5 HN SER 5 1.769 6.709 7.946 274 HG SER 5 HG SER 5 1.956 6.630 5.881 275 H SER 6 HN SER 6 5.636 8.978 7.371 276 HG SER 6 HG SER 6 6.882 9.603 9.221 277 H ASP 7 HN ASP 7 3.451 10.179 6.483 278 H GLY 8 HN GLY 8 1.751 10.884 7.852 279 H HIS 9 HN HIS 9 0.454 9.375 6.424 280 HD1 HIS 9 HD1 HIS 9 -1.994 5.917 3.155 281 H GLU 10 HN GLU 10 -3.145 6.674 6.217 282 H PHE 11 HN PHE 11 -1.269 2.959 7.612 283 H ILE 12 HN ILE 12 -4.141 0.462 5.899 284 H VAL 13 HN VAL 13 -2.837 -3.092 8.178 285 H LYS 14 HN LYS 14 -3.810 -6.490 5.421 286 HZ1 LYS 14 HZ1 LYS 14 -9.056 -12.715 3.876 287 HZ2 LYS 14 HZ2 LYS 14 -7.438 -13.129 4.165 288 HZ3 LYS 14 HZ3 LYS 14 -7.830 -12.042 2.920 289 H ARG 15 HN ARG 15 -5.545 -8.653 9.050 290 HE ARG 15 HE ARG 15 -2.526 -10.438 14.655 291 HH11 ARG 15 HH11 ARG 15 -5.862 -9.374 14.500 292 HH12 ARG 15 HH12 ARG 15 -6.192 -9.744 16.161 293 HH21 ARG 15 HH21 ARG 15 -2.952 -10.912 16.841 294 HH22 ARG 15 HH22 ARG 15 -4.525 -10.598 17.502 295 H GLU 16 HN GLU 16 -4.941 -11.197 8.092 296 H HIS 17 HN HIS 17 -2.655 -10.851 6.464 297 HE2 HIS 17 HE2 HIS 17 -3.728 -11.569 1.513 298 H ALA 18 HN ALA 18 -1.200 -9.801 7.893 299 H LEU 19 HN LEU 19 -0.436 -11.589 9.780 300 H THR 20 HN THR 20 1.375 -13.332 8.553 301 HG1 THR 20 HG1 THR 20 1.260 -14.872 5.965 302 H SER 21 HN SER 21 3.226 -11.542 8.016 303 HG SER 21 HG SER 21 3.005 -10.061 6.661 304 H GLY 22 HN GLY 22 4.136 -10.978 10.400 305 H THR 23 HN THR 23 5.918 -12.830 10.578 306 HG1 THR 23 HG1 THR 23 4.675 -14.502 11.220 307 H ILE 24 HN ILE 24 7.939 -12.583 9.809 308 H LYS 25 HN LYS 25 12.523 -12.861 9.469 309 HZ1 LYS 25 HZ1 LYS 25 20.079 -11.701 12.807 310 HZ2 LYS 25 HZ2 LYS 25 19.678 -11.929 11.184 311 HZ3 LYS 25 HZ3 LYS 25 19.396 -13.165 12.307 312 H ALA 26 HN ALA 26 11.584 -9.677 11.637 313 H MET 27 HN MET 27 12.355 -5.339 10.840 314 H LEU 28 HN LEU 28 11.795 -6.448 13.755 315 H SER 29 HN SER 29 13.141 -6.228 15.821 316 HG SER 29 HG SER 29 12.899 -7.945 18.111 317 H GLY 30 HN GLY 30 13.340 -3.688 16.255 318 H GLY 32 HN GLY 32 13.103 1.061 21.468 319 H GLN 33 HN GLN 33 11.113 -0.313 23.514 320 HE21 GLN 33 HE21 GLN 33 8.260 -4.926 27.390 321 HE22 GLN 33 HE22 GLN 33 7.500 -3.878 28.539 322 H PHE 34 HN PHE 34 9.340 -4.065 22.294 323 H ALA 35 HN ALA 35 6.256 -1.575 22.427 324 H GLU 36 HN GLU 36 2.298 -3.662 23.518 325 H ASN 37 HN ASN 37 1.353 -1.155 22.732 326 HD21 ASN 37 HD21 ASN 37 -1.357 1.854 23.657 327 HD22 ASN 37 HD22 ASN 37 -1.042 1.142 25.200 328 H GLU 38 HN GLU 38 2.756 -0.277 20.682 329 H THR 39 HN THR 39 2.116 -1.908 19.222 330 HG1 THR 39 HG1 THR 39 3.526 -3.531 19.243 331 H ASN 40 HN ASN 40 -0.092 -2.023 18.189 332 HD21 ASN 40 HD21 ASN 40 -1.754 -3.007 19.686 333 HD22 ASN 40 HD22 ASN 40 -2.822 -4.368 19.758 334 H GLU 41 HN GLU 41 -0.373 0.146 17.016 335 H VAL 42 HN VAL 42 1.204 1.047 13.485 336 H ASN 43 HN ASN 43 4.358 3.737 15.074 337 HD21 ASN 43 HD21 ASN 43 2.461 7.905 13.489 338 HD22 ASN 43 HD22 ASN 43 3.452 9.282 13.158 339 H PHE 44 HN PHE 44 5.076 5.808 11.266 340 H ARG 45 HN ARG 45 9.185 6.851 12.209 341 HE ARG 45 HE ARG 45 6.260 9.721 14.496 342 HH11 ARG 45 HH11 ARG 45 7.835 12.756 15.281 343 HH12 ARG 45 HH12 ARG 45 6.571 13.275 16.345 344 HH21 ARG 45 HH21 ARG 45 4.578 10.430 15.875 345 HH22 ARG 45 HH22 ARG 45 4.717 11.962 16.673 346 H GLU 46 HN GLU 46 9.403 10.641 9.813 347 H ILE 47 HN ILE 47 9.227 8.540 8.299 348 H SER 49 HN SER 49 4.764 9.101 2.914 349 HG SER 49 HG SER 49 3.234 9.731 2.168 350 H HIS 50 HN HIS 50 5.039 8.113 0.484 351 HE2 HIS 50 HE2 HIS 50 3.193 9.128 -5.141 352 H VAL 51 HN VAL 51 7.533 6.381 0.179 353 H LEU 52 HN LEU 52 6.673 4.672 1.989 354 H SER 53 HN SER 53 4.703 3.433 0.794 355 HG SER 53 HG SER 53 2.941 4.259 0.394 356 H LYS 54 HN LYS 54 5.760 1.724 -0.993 357 HZ1 LYS 54 HZ1 LYS 54 8.377 -1.497 -6.609 358 HZ2 LYS 54 HZ2 LYS 54 8.308 -2.501 -5.245 359 HZ3 LYS 54 HZ3 LYS 54 9.549 -2.699 -6.371 360 H VAL 55 HN VAL 55 6.852 0.043 0.626 361 H CYS 56 HN CYS 56 4.878 -1.246 1.943 362 HG CYS 56 HG CYS 56 3.831 0.042 3.267 363 H MET 57 HN MET 57 3.787 -2.578 -0.164 364 H TYR 58 HN TYR 58 5.725 -4.214 -0.734 365 HH TYR 58 HH TYR 58 13.136 -8.505 -1.665 366 H PHE 59 HN PHE 59 5.869 -5.859 1.324 367 H THR 60 HN THR 60 3.504 -7.092 1.258 368 HG1 THR 60 HG1 THR 60 1.737 -6.328 1.528 369 H TYR 61 HN TYR 61 3.850 -8.440 -1.048 370 HH TYR 61 HH TYR 61 7.445 -13.070 -7.253 371 H LYS 62 HN LYS 62 5.794 -10.102 -0.384 372 HZ1 LYS 62 HZ1 LYS 62 12.368 -12.123 -2.456 373 HZ2 LYS 62 HZ2 LYS 62 11.931 -10.578 -1.913 374 HZ3 LYS 62 HZ3 LYS 62 10.899 -11.440 -2.947 375 H VAL 63 HN VAL 63 4.563 -11.681 1.399 376 H ARG 64 HN ARG 64 2.647 -13.082 -0.040 377 HE ARG 64 HE ARG 64 -2.493 -13.466 0.183 378 HH11 ARG 64 HH11 ARG 64 -2.495 -16.144 -2.071 379 HH12 ARG 64 HH12 ARG 64 -4.224 -16.146 -2.268 380 HH21 ARG 64 HH21 ARG 64 -4.776 -13.459 -0.063 381 HH22 ARG 64 HH22 ARG 64 -5.513 -14.626 -1.133 382 H TYR 65 HN TYR 65 4.283 -14.214 -1.687 383 HH TYR 65 HH TYR 65 10.825 -16.361 -6.758 384 H THR 66 HN THR 66 5.806 -16.064 -0.234 385 HG1 THR 66 HG1 THR 66 7.178 -15.602 1.071 386 H ASN 67 HN ASN 67 3.907 -17.870 -0.436 387 HD21 ASN 67 HD21 ASN 67 -0.426 -19.342 0.307 388 HD22 ASN 67 HD22 ASN 67 -1.110 -20.019 1.744 389 H SER 68 HN SER 68 2.368 -18.633 -1.762 390 HG SER 68 HG SER 68 -0.049 -21.013 -1.132 391 H SER 69 HN SER 69 2.348 -17.945 -3.438 392 HG SER 69 HG SER 69 0.873 -16.794 -5.584 393 H THR 70 HN THR 70 4.298 -20.120 -4.937 394 HG1 THR 70 HG1 THR 70 5.852 -19.851 -2.847 395 H GLU 71 HN GLU 71 4.751 -20.261 -7.204 396 H ILE 72 HN ILE 72 5.675 -18.453 -8.526 397 H GLU 74 HN GLU 74 11.817 -14.285 -9.189 398 H PHE 75 HN PHE 75 10.601 -10.657 -6.651 399 H ILE 77 HN ILE 77 13.061 -7.633 -12.284 400 H ALA 78 HN ALA 78 11.803 -4.694 -12.349 401 H GLU 80 HN GLU 80 13.965 1.222 -10.982 402 H ILE 81 HN ILE 81 13.041 1.115 -8.324 403 H ALA 82 HN ALA 82 15.483 0.892 -5.372 404 H LEU 83 HN LEU 83 17.154 0.467 -4.589 405 H GLU 84 HN GLU 84 16.465 2.484 -3.286 406 H LEU 85 HN LEU 85 15.156 1.667 -1.154 407 H LEU 86 HN LEU 86 16.738 0.384 0.026 408 H MET 87 HN MET 87 18.282 2.212 1.009 409 H ALA 88 HN ALA 88 17.321 2.649 3.511 410 H ALA 89 HN ALA 89 18.558 1.087 5.303 411 H ASN 90 HN ASN 90 18.204 1.811 8.830 412 HD21 ASN 90 HD21 ASN 90 16.119 2.679 13.152 413 HD22 ASN 90 HD22 ASN 90 16.418 1.557 14.434 414 H PHE 91 HN PHE 91 16.821 -0.912 8.167 Start of MODEL 11 1 H1 GLY 6 HT1 GLY 6 18.745 -3.320 9.212 2 H2 GLY 6 HT2 GLY 6 17.668 -3.474 7.911 3 H3 GLY 6 HT3 GLY 6 19.200 -4.197 7.840 4 H SER 7 HN SER 7 15.378 -5.620 8.866 5 HG SER 7 HG SER 7 13.644 -5.092 8.331 6 H LEU 8 HN LEU 8 14.324 -4.624 6.495 7 H GLN 9 HN GLN 9 16.698 -4.284 5.557 8 HE21 GLN 9 HE21 GLN 9 22.967 -5.192 5.051 9 HE22 GLN 9 HE22 GLN 9 23.289 -5.229 6.751 10 H TYR 10 HN TYR 10 17.424 -6.581 4.274 11 HH TYR 10 HH TYR 10 20.663 -13.412 0.189 12 H LEU 11 HN LEU 11 15.789 -7.200 2.983 13 H ALA 12 HN ALA 12 15.719 -5.280 1.067 14 H LEU 13 HN LEU 13 17.682 -5.840 -0.547 15 H ALA 14 HN ALA 14 16.763 -7.859 -1.639 16 H ALA 15 HN ALA 15 15.415 -6.917 -3.363 17 H LEU 16 HN LEU 16 16.080 -5.734 -5.052 18 H ILE 17 HN ILE 17 18.309 -6.094 -8.334 19 H LYS 18 HN LYS 18 20.383 -3.196 -6.320 20 HZ1 LYS 18 HZ1 LYS 18 16.905 3.084 -7.746 21 HZ2 LYS 18 HZ2 LYS 18 17.603 4.428 -8.501 22 HZ3 LYS 18 HZ3 LYS 18 17.849 4.169 -6.846 23 H LYS 20 HN LYS 20 23.572 0.957 -7.146 24 HZ1 LYS 20 HZ1 LYS 20 20.363 5.234 -13.180 25 HZ2 LYS 20 HZ2 LYS 20 20.605 5.989 -11.684 26 HZ3 LYS 20 HZ3 LYS 20 19.450 4.751 -11.834 27 H GLN 21 HN GLN 21 25.112 5.110 -7.807 28 HE21 GLN 21 HE21 GLN 21 29.868 4.794 -7.213 29 HE22 GLN 21 HE22 GLN 21 30.517 4.845 -5.611 30 H ILE 22 HN ILE 22 26.006 5.730 -3.356 31 H LYS 23 HN LYS 23 22.880 8.504 -3.204 32 HZ1 LYS 23 HZ1 LYS 23 26.513 13.971 -2.086 33 HZ2 LYS 23 HZ2 LYS 23 26.906 15.458 -2.806 34 HZ3 LYS 23 HZ3 LYS 23 27.070 14.028 -3.696 35 H LEU 26 HN LEU 26 17.032 13.541 -2.793 36 H SER 28 HN SER 28 14.489 18.262 -2.373 37 HG SER 28 HG SER 28 14.902 19.168 -4.933 38 H VAL 29 HN VAL 29 12.992 16.226 -3.067 39 H ARG 30 HN ARG 30 11.595 12.645 -3.425 40 HE ARG 30 HE ARG 30 8.240 13.738 -0.732 41 HH11 ARG 30 HH11 ARG 30 6.423 11.251 0.922 42 HH12 ARG 30 HH12 ARG 30 5.853 12.305 2.181 43 HH21 ARG 30 HH21 ARG 30 7.486 15.145 0.917 44 HH22 ARG 30 HH22 ARG 30 6.454 14.521 2.165 45 H LYS 31 HN LYS 31 13.901 11.816 -2.670 46 HZ1 LYS 31 HZ1 LYS 31 17.030 6.537 -6.200 47 HZ2 LYS 31 HZ2 LYS 31 17.479 8.176 -6.244 48 HZ3 LYS 31 HZ3 LYS 31 17.835 7.163 -7.553 49 H LEU 32 HN LEU 32 16.425 8.311 -2.844 50 H THR 33 HN THR 33 20.078 11.069 -3.417 51 HG1 THR 33 HG1 THR 33 20.355 13.157 -3.512 52 H GLU 34 HN GLU 34 21.597 11.232 -7.685 53 H ASP 35 HN ASP 35 25.302 9.697 -6.418 54 H ARG 36 HN ARG 36 27.297 10.947 -4.770 55 HE ARG 36 HE ARG 36 30.368 7.887 -3.720 56 HH11 ARG 36 HH11 ARG 36 33.710 6.871 -3.861 57 HH12 ARG 36 HH12 ARG 36 33.431 5.400 -2.990 58 HH21 ARG 36 HH21 ARG 36 29.991 5.965 -2.578 59 HH22 ARG 36 HH22 ARG 36 31.309 4.882 -2.254 60 H TRP 37 HN TRP 37 28.952 11.765 -3.181 61 HE1 TRP 37 HE1 TRP 37 29.205 6.735 1.360 62 H1 MET 1 HT1 MET 1 -9.052 -15.686 -8.818 63 H2 MET 1 HT2 MET 1 -8.882 -17.321 -9.234 64 H3 MET 1 HT3 MET 1 -7.623 -16.522 -8.442 65 H ASP 2 HN ASP 2 -8.253 -14.670 -7.308 66 H VAL 3 HN VAL 3 -8.482 -12.198 -4.137 67 H PHE 4 HN PHE 4 -6.387 -8.875 -5.579 68 H LEU 5 HN LEU 5 -7.321 -6.369 -2.266 69 H MET 6 HN MET 6 -7.188 -2.028 -3.313 70 H ILE 7 HN ILE 7 -8.244 -1.075 0.474 71 H ARG 8 HN ARG 8 -9.161 2.880 -1.075 72 HE ARG 8 HE ARG 8 -4.848 8.020 -0.213 73 HH11 ARG 8 HH11 ARG 8 -3.747 6.533 -3.190 74 HH12 ARG 8 HH12 ARG 8 -2.882 7.934 -3.729 75 HH21 ARG 8 HH21 ARG 8 -3.673 9.868 -0.900 76 HH22 ARG 8 HH22 ARG 8 -2.861 9.845 -2.433 77 H ARG 9 HN ARG 9 -8.998 5.043 2.444 78 HE ARG 9 HE ARG 9 -10.353 7.395 6.171 79 HH11 ARG 9 HH11 ARG 9 -12.776 9.843 5.520 80 HH12 ARG 9 HH12 ARG 9 -11.821 11.142 6.159 81 HH21 ARG 9 HH21 ARG 9 -9.100 9.084 7.024 82 HH22 ARG 9 HH22 ARG 9 -9.716 10.709 7.016 83 H HIS 10 HN HIS 10 -9.194 7.906 0.267 84 HE2 HIS 10 HE2 HIS 10 -6.487 14.158 -0.413 85 H LYS 11 HN LYS 11 -7.651 9.546 3.516 86 HZ1 LYS 11 HZ1 LYS 11 -4.024 14.237 0.836 87 HZ2 LYS 11 HZ2 LYS 11 -3.071 12.962 1.414 88 HZ3 LYS 11 HZ3 LYS 11 -2.929 14.499 2.101 89 H THR 12 HN THR 12 -7.507 7.575 4.081 90 HG1 THR 12 HG1 THR 12 -7.689 7.268 7.421 91 H THR 13 HN THR 13 -4.947 4.373 4.562 92 HG1 THR 13 HG1 THR 13 -3.229 4.528 1.583 93 H ILE 14 HN ILE 14 -7.219 1.056 2.725 94 H PHE 15 HN PHE 15 -5.101 -2.436 4.039 95 H THR 16 HN THR 16 -7.058 -4.580 0.630 96 HG1 THR 16 HG1 THR 16 -8.851 -3.871 2.008 97 H ASP 17 HN ASP 17 -7.828 -8.444 2.314 98 H ALA 18 HN ALA 18 -8.961 -10.003 -1.379 99 H LYS 19 HN LYS 19 -12.520 -12.360 -2.024 100 HZ1 LYS 19 HZ1 LYS 19 -7.276 -14.903 -1.700 101 HZ2 LYS 19 HZ2 LYS 19 -7.253 -15.175 -0.026 102 HZ3 LYS 19 HZ3 LYS 19 -8.033 -13.812 -0.645 103 H GLU 20 HN GLU 20 -12.072 -14.017 -6.131 104 H SER 21 HN SER 21 -14.518 -14.854 -5.449 105 HG SER 21 HG SER 21 -15.967 -17.453 -6.033 106 H SER 22 HN SER 22 -15.464 -13.039 -3.847 107 HG SER 22 HG SER 22 -15.365 -13.323 -1.176 108 H THR 23 HN THR 23 -18.910 -10.690 -1.870 109 HG1 THR 23 HG1 THR 23 -20.688 -10.379 -1.317 110 H VAL 24 HN VAL 24 -19.777 -6.922 -4.310 111 H PHE 25 HN PHE 25 -21.076 -6.132 -2.223 112 H GLU 26 HN GLU 26 -19.988 -7.459 -0.232 113 H LEU 27 HN LEU 27 -17.744 -6.281 0.169 114 H LYS 28 HN LYS 28 -18.230 -3.954 1.325 115 HZ1 LYS 28 HZ1 LYS 28 -22.286 -0.178 -1.391 116 HZ2 LYS 28 HZ2 LYS 28 -21.476 1.134 -2.086 117 HZ3 LYS 28 HZ3 LYS 28 -22.115 1.271 -0.528 118 H ARG 29 HN ARG 29 -18.901 -4.892 3.670 119 HE ARG 29 HE ARG 29 -21.411 -7.803 7.336 120 HH11 ARG 29 HH11 ARG 29 -21.135 -10.123 4.729 121 HH12 ARG 29 HH12 ARG 29 -20.714 -11.441 5.768 122 HH21 ARG 29 HH21 ARG 29 -20.829 -9.521 8.712 123 HH22 ARG 29 HH22 ARG 29 -20.518 -11.092 8.042 124 H ILE 30 HN ILE 30 -16.717 -5.677 4.753 125 H VAL 31 HN VAL 31 -15.288 -3.448 5.010 126 H GLU 32 HN GLU 32 -16.814 -2.328 6.849 127 H GLY 33 HN GLY 33 -16.199 -3.598 9.259 128 H ILE 34 HN ILE 34 -14.003 -2.311 9.704 129 H LEU 35 HN LEU 35 -13.395 0.075 9.399 130 H LYS 36 HN LYS 36 -14.907 0.393 11.336 131 HZ1 LYS 36 HZ1 LYS 36 -11.561 0.150 18.037 132 HZ2 LYS 36 HZ2 LYS 36 -12.816 1.252 18.310 133 HZ3 LYS 36 HZ3 LYS 36 -11.495 1.691 17.351 134 H ARG 37 HN ARG 37 -16.804 1.823 10.343 135 HE ARG 37 HE ARG 37 -14.151 6.665 9.995 136 HH11 ARG 37 HH11 ARG 37 -17.129 8.509 10.000 137 HH12 ARG 37 HH12 ARG 37 -16.420 9.885 10.782 138 HH21 ARG 37 HH21 ARG 37 -13.216 8.491 10.999 139 HH22 ARG 37 HH22 ARG 37 -14.203 9.878 11.343 140 H ASP 40 HN ASP 40 -23.524 1.741 6.061 141 H GLU 41 HN GLU 41 -22.821 4.375 5.200 142 H GLN 42 HN GLN 42 -21.571 3.601 3.070 143 HE21 GLN 42 HE21 GLN 42 -18.658 1.476 6.359 144 HE22 GLN 42 HE22 GLN 42 -17.844 -0.007 6.002 145 H ARG 43 HN ARG 43 -18.368 5.259 0.446 146 HE ARG 43 HE ARG 43 -23.136 7.595 -1.039 147 HH11 ARG 43 HH11 ARG 43 -22.474 4.245 -0.288 148 HH12 ARG 43 HH12 ARG 43 -23.697 4.146 0.942 149 HH21 ARG 43 HH21 ARG 43 -24.756 7.464 0.581 150 HH22 ARG 43 HH22 ARG 43 -24.989 5.970 1.432 151 H LEU 44 HN LEU 44 -18.612 2.581 -2.798 152 H TYR 45 HN TYR 45 -14.682 3.685 -4.455 153 HH TYR 45 HH TYR 45 -19.644 9.052 -5.350 154 H LYS 46 HN LYS 46 -15.194 2.651 -8.673 155 HZ1 LYS 46 HZ1 LYS 46 -12.907 -1.589 -12.526 156 HZ2 LYS 46 HZ2 LYS 46 -13.512 -3.165 -12.334 157 HZ3 LYS 46 HZ3 LYS 46 -11.985 -2.924 -13.021 158 H ASP 47 HN ASP 47 -11.486 2.466 -10.827 159 H ASP 48 HN ASP 48 -12.628 4.774 -10.902 160 H GLN 49 HN GLN 49 -15.137 4.339 -11.420 161 HE21 GLN 49 HE21 GLN 49 -16.465 6.618 -15.138 162 HE22 GLN 49 HE22 GLN 49 -17.679 7.816 -14.862 163 H LEU 50 HN LEU 50 -19.430 4.620 -10.152 164 H LEU 51 HN LEU 51 -18.532 1.662 -6.762 165 H ASP 52 HN ASP 52 -20.246 -2.346 -8.302 166 H ASP 53 HN ASP 53 -23.326 -2.101 -5.270 167 H GLY 54 HN GLY 54 -24.659 -4.329 -5.860 168 H LYS 55 HN LYS 55 -22.767 -6.078 -6.533 169 HZ1 LYS 55 HZ1 LYS 55 -23.483 -3.724 -12.056 170 HZ2 LYS 55 HZ2 LYS 55 -24.401 -4.583 -10.926 171 HZ3 LYS 55 HZ3 LYS 55 -24.971 -4.387 -12.511 172 H THR 56 HN THR 56 -20.687 -9.563 -8.434 173 HG1 THR 56 HG1 THR 56 -19.911 -11.070 -9.029 174 H LEU 57 HN LEU 57 -16.779 -9.906 -6.149 175 H GLY 58 HN GLY 58 -15.748 -10.972 -8.403 176 H GLU 59 HN GLU 59 -17.533 -10.117 -10.335 177 H CYS 60 HN CYS 60 -16.727 -7.757 -10.505 178 HG CYS 60 HG CYS 60 -18.341 -6.612 -8.686 179 H GLY 61 HN GLY 61 -15.109 -7.544 -12.373 180 H PHE 62 HN PHE 62 -13.408 -7.362 -10.672 181 H THR 63 HN THR 63 -9.371 -8.287 -11.364 182 HG1 THR 63 HG1 THR 63 -8.500 -8.664 -13.529 183 H SER 64 HN SER 64 -7.761 -12.472 -11.104 184 HG SER 64 HG SER 64 -7.004 -13.334 -8.428 185 H GLN 65 HN GLN 65 -6.231 -10.841 -12.417 186 HE21 GLN 65 HE21 GLN 65 -4.900 -14.292 -14.243 187 HE22 GLN 65 HE22 GLN 65 -3.200 -14.548 -14.443 188 H THR 66 HN THR 66 -6.169 -8.522 -12.793 189 HG1 THR 66 HG1 THR 66 -7.447 -6.207 -14.462 190 H ALA 67 HN ALA 67 -5.930 -8.105 -10.437 191 H ARG 68 HN ARG 68 -2.696 -7.105 -8.085 192 HE ARG 68 HE ARG 68 -1.495 -9.034 -12.036 193 HH11 ARG 68 HH11 ARG 68 1.944 -8.469 -11.629 194 HH12 ARG 68 HH12 ARG 68 2.021 -7.298 -12.908 195 HH21 ARG 68 HH21 ARG 68 -1.391 -7.481 -13.704 196 HH22 ARG 68 HH22 ARG 68 0.136 -6.747 -14.096 197 H GLN 70 HN GLN 70 1.089 -8.653 -6.390 198 HE21 GLN 70 HE21 GLN 70 4.974 -10.334 -8.575 199 HE22 GLN 70 HE22 GLN 70 4.944 -9.964 -10.265 200 H ALA 71 HN ALA 71 0.169 -6.688 -6.386 201 H ALA 73 HN ALA 73 -5.602 -4.500 -6.293 202 H THR 74 HN THR 74 -5.843 -0.079 -7.146 203 HG1 THR 74 HG1 THR 74 -4.416 0.647 -5.853 204 H VAL 75 HN VAL 75 -8.541 0.869 -3.686 205 H GLY 76 HN GLY 76 -11.450 3.706 -5.174 206 H LEU 77 HN LEU 77 -11.673 5.344 -0.976 207 H ALA 78 HN ALA 78 -15.792 6.239 -0.926 208 H PHE 79 HN PHE 79 -16.086 9.120 2.408 209 H ARG 80 HN ARG 80 -20.363 8.596 2.709 210 HE ARG 80 HE ARG 80 -24.773 9.571 2.262 211 HH11 ARG 80 HH11 ARG 80 -26.197 10.811 -0.708 212 HH12 ARG 80 HH12 ARG 80 -27.568 9.747 -0.627 213 HH21 ARG 80 HH21 ARG 80 -26.547 8.187 2.346 214 HH22 ARG 80 HH22 ARG 80 -27.767 8.250 1.103 215 H ALA 81 HN ALA 81 -19.795 12.193 4.452 216 H ASP 82 HN ASP 82 -23.012 13.148 7.425 217 H ASP 83 HN ASP 83 -23.401 17.493 5.986 218 H THR 84 HN THR 84 -20.819 16.804 6.029 219 HG1 THR 84 HG1 THR 84 -19.811 16.163 7.988 220 H PHE 85 HN PHE 85 -17.694 18.999 4.605 221 H GLU 86 HN GLU 86 -16.167 16.927 4.100 222 H ALA 87 HN ALA 87 -16.852 14.830 2.550 223 H LEU 88 HN LEU 88 -16.641 15.775 0.060 224 H CYS 89 HN CYS 89 -14.305 15.710 -0.631 225 HG CYS 89 HG CYS 89 -11.455 18.487 0.446 226 H ILE 90 HN ILE 90 -13.464 13.521 -0.763 227 H GLU 91 HN GLU 91 -14.581 12.503 -2.617 228 H PHE 93 HN PHE 93 -15.512 10.610 -7.489 229 H SER 94 HN SER 94 -15.946 13.065 -7.762 230 HG SER 94 HG SER 94 -18.422 14.660 -8.288 231 H SER 95 HN SER 95 -14.091 14.218 -7.203 232 HG SER 95 HG SER 95 -13.649 16.076 -5.063 233 H GLU 98 HN GLU 98 -6.391 11.807 -4.914 234 H LEU 99 HN LEU 99 -2.792 13.629 -6.503 235 H ASP 101 HN ASP 101 1.968 16.613 -6.336 236 H VAL 102 HN VAL 102 4.676 16.534 -6.287 237 H MET 103 HN MET 103 5.061 14.075 -7.090 238 H LYS 104 HN LYS 104 5.361 13.838 -9.474 239 HZ1 LYS 104 HZ1 LYS 104 2.065 13.665 -14.782 240 HZ2 LYS 104 HZ2 LYS 104 1.450 15.231 -14.938 241 HZ3 LYS 104 HZ3 LYS 104 0.671 13.942 -15.697 242 H GLN 106 HN GLN 106 6.869 10.910 -14.024 243 HE21 GLN 106 HE21 GLN 106 8.306 11.223 -9.634 244 HE22 GLN 106 HE22 GLN 106 8.535 10.261 -8.217 245 H ASP 107 HN ASP 107 9.521 7.514 -13.780 246 H SER 108 HN SER 108 7.154 4.362 -15.900 247 HG SER 108 HG SER 108 4.001 4.668 -14.615 248 H GLY 109 HN GLY 109 5.990 1.615 -12.470 249 H SER 110 HN SER 110 6.874 -2.075 -11.773 250 HG SER 110 HG SER 110 8.893 -4.408 -12.454 251 H SER 111 HN SER 111 5.196 -2.641 -11.069 252 HG SER 111 HG SER 111 3.940 -4.636 -8.168 253 H ALA 112 HN ALA 112 0.696 -2.961 -10.508 254 H ASN 113 HN ASN 113 0.082 1.383 -11.657 255 HD21 ASN 113 HD21 ASN 113 0.462 4.084 -7.198 256 HD22 ASN 113 HD22 ASN 113 -0.626 5.429 -7.230 257 H GLU 114 HN GLU 114 2.340 1.001 -10.404 258 H GLN 115 HN GLN 115 5.286 3.640 -8.408 259 HE21 GLN 115 HE21 GLN 115 4.037 8.812 -9.669 260 HE22 GLN 115 HE22 GLN 115 3.190 9.005 -8.179 261 H ALA 116 HN ALA 116 8.121 5.371 -11.451 262 H VAL 117 HN VAL 117 10.852 6.409 -8.746 263 H GLN 118 HN GLN 118 12.608 9.631 -11.462 264 HE21 GLN 118 HE21 GLN 118 13.187 6.772 -15.370 265 HE22 GLN 118 HE22 GLN 118 11.528 6.835 -14.892 266 H1 VAL 1 HN VAL 1 -3.115 -5.123 12.141 267 H LYS 2 HN LYS 2 -1.890 -0.988 12.831 268 HZ1 LYS 2 HZ1 LYS 2 -4.268 6.778 12.599 269 HZ2 LYS 2 HZ2 LYS 2 -5.102 5.451 13.233 270 HZ3 LYS 2 HZ3 LYS 2 -5.433 5.989 11.655 271 H LEU 3 HN LEU 3 -0.553 0.756 9.132 272 H ILE 4 HN ILE 4 2.339 3.767 10.854 273 H SER 5 HN SER 5 1.907 6.707 7.872 274 HG SER 5 HG SER 5 3.011 5.589 6.316 275 H SER 6 HN SER 6 5.934 8.962 7.792 276 HG SER 6 HG SER 6 8.022 11.033 6.992 277 H ASP 7 HN ASP 7 4.287 10.536 6.385 278 H GLY 8 HN GLY 8 2.194 10.856 7.774 279 H HIS 9 HN HIS 9 0.675 9.234 6.985 280 HD1 HIS 9 HD1 HIS 9 -2.165 6.173 3.821 281 H GLU 10 HN GLU 10 -3.157 7.100 6.174 282 H PHE 11 HN PHE 11 -1.528 3.279 7.751 283 H ILE 12 HN ILE 12 -4.053 0.775 6.171 284 H VAL 13 HN VAL 13 -2.416 -2.842 7.992 285 H LYS 14 HN LYS 14 -3.768 -6.159 5.226 286 HZ1 LYS 14 HZ1 LYS 14 -8.652 -12.899 4.404 287 HZ2 LYS 14 HZ2 LYS 14 -6.979 -12.927 4.132 288 HZ3 LYS 14 HZ3 LYS 14 -7.976 -11.927 3.191 289 H ARG 15 HN ARG 15 -5.393 -8.210 8.955 290 HE ARG 15 HE ARG 15 -3.476 -10.552 14.750 291 HH11 ARG 15 HH11 ARG 15 -6.972 -10.688 14.872 292 HH12 ARG 15 HH12 ARG 15 -7.024 -11.437 16.434 293 HH21 ARG 15 HH21 ARG 15 -3.539 -11.507 16.836 294 HH22 ARG 15 HH22 ARG 15 -5.070 -11.883 17.562 295 H GLU 16 HN GLU 16 -4.839 -10.795 8.130 296 H HIS 17 HN HIS 17 -2.669 -10.678 6.309 297 HE2 HIS 17 HE2 HIS 17 -3.541 -11.565 1.322 298 H ALA 18 HN ALA 18 -1.072 -9.718 7.847 299 H LEU 19 HN LEU 19 -0.299 -11.721 9.308 300 H THR 20 HN THR 20 1.562 -13.556 8.172 301 HG1 THR 20 HG1 THR 20 2.105 -15.991 7.375 302 H SER 21 HN SER 21 3.287 -11.637 7.969 303 HG SER 21 HG SER 21 3.060 -10.070 6.574 304 H GLY 22 HN GLY 22 4.240 -11.336 10.325 305 H THR 23 HN THR 23 5.894 -13.156 10.408 306 HG1 THR 23 HG1 THR 23 4.958 -15.044 11.467 307 H ILE 24 HN ILE 24 8.090 -12.538 9.873 308 H LYS 25 HN LYS 25 12.654 -12.664 9.783 309 HZ1 LYS 25 HZ1 LYS 25 18.563 -9.557 12.236 310 HZ2 LYS 25 HZ2 LYS 25 18.171 -9.348 13.866 311 HZ3 LYS 25 HZ3 LYS 25 17.874 -8.106 12.762 312 H ALA 26 HN ALA 26 11.282 -9.517 11.608 313 H MET 27 HN MET 27 11.961 -5.143 11.042 314 H LEU 28 HN LEU 28 11.697 -6.430 13.968 315 H SER 29 HN SER 29 13.069 -6.437 15.983 316 HG SER 29 HG SER 29 15.346 -8.195 16.400 317 H GLY 30 HN GLY 30 13.382 -3.926 16.318 318 H GLY 32 HN GLY 32 13.127 1.209 21.149 319 H GLN 33 HN GLN 33 11.350 0.132 22.677 320 HE21 GLN 33 HE21 GLN 33 8.465 -2.997 28.008 321 HE22 GLN 33 HE22 GLN 33 7.946 -1.644 28.954 322 H PHE 34 HN PHE 34 9.877 -3.452 22.279 323 H ALA 35 HN ALA 35 6.269 -1.601 22.251 324 H GLU 36 HN GLU 36 2.498 -3.752 23.606 325 H ASN 37 HN ASN 37 1.612 -1.471 22.631 326 HD21 ASN 37 HD21 ASN 37 2.371 2.762 20.907 327 HD22 ASN 37 HD22 ASN 37 1.139 3.974 20.745 328 H GLU 38 HN GLU 38 3.069 -0.637 20.510 329 H THR 39 HN THR 39 2.180 -2.355 19.004 330 HG1 THR 39 HG1 THR 39 3.327 -4.054 18.905 331 H ASN 40 HN ASN 40 0.067 -1.909 18.116 332 HD21 ASN 40 HD21 ASN 40 -3.018 -1.283 20.352 333 HD22 ASN 40 HD22 ASN 40 -3.453 -2.930 20.629 334 H GLU 41 HN GLU 41 -0.183 0.327 17.109 335 H VAL 42 HN VAL 42 1.268 1.147 13.427 336 H ASN 43 HN ASN 43 4.171 3.720 15.086 337 HD21 ASN 43 HD21 ASN 43 2.631 7.982 13.559 338 HD22 ASN 43 HD22 ASN 43 3.714 9.317 13.401 339 H PHE 44 HN PHE 44 5.140 5.949 11.376 340 H ARG 45 HN ARG 45 9.569 6.826 11.568 341 HE ARG 45 HE ARG 45 6.599 9.520 14.719 342 HH11 ARG 45 HH11 ARG 45 8.856 12.091 15.486 343 HH12 ARG 45 HH12 ARG 45 8.069 12.501 16.979 344 HH21 ARG 45 HH21 ARG 45 5.578 10.047 16.688 345 HH22 ARG 45 HH22 ARG 45 6.208 11.336 17.664 346 H GLU 46 HN GLU 46 9.491 10.775 9.632 347 H ILE 47 HN ILE 47 9.082 8.922 7.743 348 H SER 49 HN SER 49 4.936 8.967 2.987 349 HG SER 49 HG SER 49 3.364 9.655 2.579 350 H HIS 50 HN HIS 50 4.983 8.050 0.463 351 HE2 HIS 50 HE2 HIS 50 3.593 7.025 -6.073 352 H VAL 51 HN VAL 51 7.315 6.469 0.039 353 H LEU 52 HN LEU 52 6.625 4.717 1.708 354 H SER 53 HN SER 53 4.725 3.332 0.669 355 HG SER 53 HG SER 53 2.929 3.943 0.392 356 H LYS 54 HN LYS 54 6.037 1.764 -0.960 357 HZ1 LYS 54 HZ1 LYS 54 8.538 -1.525 -7.095 358 HZ2 LYS 54 HZ2 LYS 54 9.138 -1.794 -5.531 359 HZ3 LYS 54 HZ3 LYS 54 10.184 -1.280 -6.754 360 H VAL 55 HN VAL 55 7.192 0.011 0.511 361 H CYS 56 HN CYS 56 5.239 -1.288 1.689 362 HG CYS 56 HG CYS 56 3.513 -1.643 4.666 363 H MET 57 HN MET 57 4.152 -2.584 -0.522 364 H TYR 58 HN TYR 58 6.072 -4.331 -1.063 365 HH TYR 58 HH TYR 58 12.779 -9.316 -3.051 366 H PHE 59 HN PHE 59 6.063 -5.876 1.007 367 H THR 60 HN THR 60 3.662 -7.059 0.955 368 HG1 THR 60 HG1 THR 60 1.951 -6.221 1.103 369 H TYR 61 HN TYR 61 4.026 -8.521 -1.271 370 HH TYR 61 HH TYR 61 7.151 -13.090 -7.849 371 H LYS 62 HN LYS 62 5.937 -10.167 -0.527 372 HZ1 LYS 62 HZ1 LYS 62 12.837 -12.684 -1.888 373 HZ2 LYS 62 HZ2 LYS 62 12.029 -11.199 -1.973 374 HZ3 LYS 62 HZ3 LYS 62 11.389 -12.559 -2.758 375 H VAL 63 HN VAL 63 4.675 -11.652 1.309 376 H ARG 64 HN ARG 64 2.873 -13.180 -0.086 377 HE ARG 64 HE ARG 64 -2.352 -13.524 0.130 378 HH11 ARG 64 HH11 ARG 64 -2.085 -16.077 -2.238 379 HH12 ARG 64 HH12 ARG 64 -3.743 -15.957 -2.760 380 HH21 ARG 64 HH21 ARG 64 -4.536 -13.344 -0.533 381 HH22 ARG 64 HH22 ARG 64 -5.136 -14.407 -1.785 382 H TYR 65 HN TYR 65 4.519 -14.346 -1.604 383 HH TYR 65 HH TYR 65 9.946 -17.049 -7.376 384 H THR 66 HN THR 66 5.935 -16.085 -0.009 385 HG1 THR 66 HG1 THR 66 7.471 -15.511 1.192 386 H ASN 67 HN ASN 67 4.273 -18.283 -0.506 387 HD21 ASN 67 HD21 ASN 67 -0.463 -18.248 1.178 388 HD22 ASN 67 HD22 ASN 67 -1.033 -19.484 2.242 389 H SER 68 HN SER 68 2.668 -18.773 -1.677 390 HG SER 68 HG SER 68 -0.707 -19.065 -1.714 391 H SER 69 HN SER 69 2.697 -18.033 -3.433 392 HG SER 69 HG SER 69 1.704 -15.600 -5.082 393 H THR 70 HN THR 70 4.788 -20.231 -4.704 394 HG1 THR 70 HG1 THR 70 6.154 -19.995 -2.515 395 H GLU 71 HN GLU 71 5.353 -20.626 -6.887 396 H ILE 72 HN ILE 72 6.597 -18.892 -8.135 397 H GLU 74 HN GLU 74 11.716 -14.484 -9.258 398 H PHE 75 HN PHE 75 10.474 -11.016 -6.523 399 H ILE 77 HN ILE 77 13.074 -8.080 -11.576 400 H ALA 78 HN ALA 78 12.269 -4.539 -11.545 401 H GLU 80 HN GLU 80 13.491 1.563 -11.237 402 H ILE 81 HN ILE 81 12.792 1.890 -8.626 403 H ALA 82 HN ALA 82 14.962 1.578 -5.046 404 H LEU 83 HN LEU 83 16.693 0.642 -4.776 405 H GLU 84 HN GLU 84 16.218 2.553 -3.315 406 H LEU 85 HN LEU 85 15.162 1.665 -1.133 407 H LEU 86 HN LEU 86 16.881 0.636 0.109 408 H MET 87 HN MET 87 17.957 2.554 1.225 409 H ALA 88 HN ALA 88 17.151 2.705 3.679 410 H ALA 89 HN ALA 89 18.562 1.393 5.370 411 H ASN 90 HN ASN 90 18.281 1.965 9.016 412 HD21 ASN 90 HD21 ASN 90 16.493 2.485 13.505 413 HD22 ASN 90 HD22 ASN 90 16.807 1.243 14.665 414 H PHE 91 HN PHE 91 17.020 -0.995 8.345 Start of MODEL 12 1 H1 GLY 6 HT1 GLY 6 18.730 -3.186 9.242 2 H2 GLY 6 HT2 GLY 6 17.669 -3.417 7.938 3 H3 GLY 6 HT3 GLY 6 19.314 -3.806 7.782 4 H SER 7 HN SER 7 15.781 -5.754 8.760 5 HG SER 7 HG SER 7 13.892 -5.236 8.289 6 H LEU 8 HN LEU 8 14.735 -4.646 6.381 7 H GLN 9 HN GLN 9 17.161 -4.311 5.258 8 HE21 GLN 9 HE21 GLN 9 21.910 -1.049 5.506 9 HE22 GLN 9 HE22 GLN 9 22.484 -1.581 7.046 10 H TYR 10 HN TYR 10 17.750 -6.630 3.992 11 HH TYR 10 HH TYR 10 18.080 -14.364 0.496 12 H LEU 11 HN LEU 11 16.017 -7.452 2.920 13 H ALA 12 HN ALA 12 15.599 -5.513 0.978 14 H LEU 13 HN LEU 13 17.587 -5.854 -0.487 15 H ALA 14 HN ALA 14 17.270 -8.135 -1.746 16 H ALA 15 HN ALA 15 15.686 -7.267 -3.425 17 H LEU 16 HN LEU 16 16.432 -6.050 -5.148 18 H ILE 17 HN ILE 17 18.470 -6.033 -8.350 19 H LYS 18 HN LYS 18 20.381 -2.963 -6.627 20 HZ1 LYS 18 HZ1 LYS 18 16.963 3.511 -7.866 21 HZ2 LYS 18 HZ2 LYS 18 17.894 4.899 -8.085 22 HZ3 LYS 18 HZ3 LYS 18 17.919 4.097 -6.597 23 H LYS 20 HN LYS 20 23.807 0.995 -7.442 24 HZ1 LYS 20 HZ1 LYS 20 20.160 5.012 -13.470 25 HZ2 LYS 20 HZ2 LYS 20 20.088 5.773 -11.959 26 HZ3 LYS 20 HZ3 LYS 20 19.464 4.203 -12.149 27 H GLN 21 HN GLN 21 25.458 5.113 -7.818 28 HE21 GLN 21 HE21 GLN 21 30.233 4.518 -5.870 29 HE22 GLN 21 HE22 GLN 21 30.318 4.483 -4.143 30 H ILE 22 HN ILE 22 25.882 5.682 -3.270 31 H LYS 23 HN LYS 23 23.158 8.670 -3.364 32 HZ1 LYS 23 HZ1 LYS 23 26.968 14.564 -2.781 33 HZ2 LYS 23 HZ2 LYS 23 26.912 15.930 -3.776 34 HZ3 LYS 23 HZ3 LYS 23 27.072 14.393 -4.466 35 H LEU 26 HN LEU 26 16.847 13.222 -2.436 36 H SER 28 HN SER 28 14.648 18.142 -2.145 37 HG SER 28 HG SER 28 15.070 19.446 -4.349 38 H VAL 29 HN VAL 29 13.164 16.166 -2.902 39 H ARG 30 HN ARG 30 11.337 12.572 -3.406 40 HE ARG 30 HE ARG 30 8.386 13.627 -0.819 41 HH11 ARG 30 HH11 ARG 30 6.085 11.360 0.513 42 HH12 ARG 30 HH12 ARG 30 5.613 12.398 1.829 43 HH21 ARG 30 HH21 ARG 30 7.752 15.016 0.891 44 HH22 ARG 30 HH22 ARG 30 6.545 14.482 2.019 45 H LYS 31 HN LYS 31 13.865 11.789 -2.565 46 HZ1 LYS 31 HZ1 LYS 31 17.457 6.999 -6.344 47 HZ2 LYS 31 HZ2 LYS 31 17.818 8.658 -6.419 48 HZ3 LYS 31 HZ3 LYS 31 18.188 7.653 -7.735 49 H LEU 32 HN LEU 32 16.499 8.385 -2.988 50 H THR 33 HN THR 33 20.266 11.034 -3.113 51 HG1 THR 33 HG1 THR 33 20.694 13.132 -3.001 52 H GLU 34 HN GLU 34 21.425 11.039 -7.541 53 H ASP 35 HN ASP 35 25.124 9.522 -6.364 54 H ARG 36 HN ARG 36 26.838 10.913 -4.847 55 HE ARG 36 HE ARG 36 29.619 7.981 -2.957 56 HH11 ARG 36 HH11 ARG 36 32.868 7.445 -1.758 57 HH12 ARG 36 HH12 ARG 36 32.391 6.158 -0.695 58 HH21 ARG 36 HH21 ARG 36 28.999 6.283 -1.590 59 HH22 ARG 36 HH22 ARG 36 30.189 5.486 -0.613 60 H TRP 37 HN TRP 37 28.497 11.974 -3.103 61 HE1 TRP 37 HE1 TRP 37 26.879 8.035 2.286 62 H1 MET 1 HT1 MET 1 -9.457 -14.969 -9.480 63 H2 MET 1 HT2 MET 1 -9.122 -16.592 -9.825 64 H3 MET 1 HT3 MET 1 -8.034 -15.683 -8.901 65 H ASP 2 HN ASP 2 -7.485 -15.614 -6.928 66 H VAL 3 HN VAL 3 -8.632 -12.220 -4.083 67 H PHE 4 HN PHE 4 -6.661 -8.762 -5.621 68 H LEU 5 HN LEU 5 -7.413 -6.258 -2.319 69 H MET 6 HN MET 6 -7.203 -1.928 -3.386 70 H ILE 7 HN ILE 7 -8.198 -0.860 0.427 71 H ARG 8 HN ARG 8 -9.097 3.093 -1.188 72 HE ARG 8 HE ARG 8 -5.627 8.576 -0.213 73 HH11 ARG 8 HH11 ARG 8 -4.493 8.068 -3.500 74 HH12 ARG 8 HH12 ARG 8 -3.765 9.640 -3.616 75 HH21 ARG 8 HH21 ARG 8 -4.686 10.625 -0.373 76 HH22 ARG 8 HH22 ARG 8 -3.869 11.104 -1.825 77 H ARG 9 HN ARG 9 -8.765 5.247 2.393 78 HE ARG 9 HE ARG 9 -10.265 7.211 6.107 79 HH11 ARG 9 HH11 ARG 9 -12.529 9.815 5.502 80 HH12 ARG 9 HH12 ARG 9 -11.491 11.050 6.134 81 HH21 ARG 9 HH21 ARG 9 -8.887 8.817 6.950 82 HH22 ARG 9 HH22 ARG 9 -9.419 10.472 6.988 83 H HIS 10 HN HIS 10 -9.629 8.832 0.812 84 HE2 HIS 10 HE2 HIS 10 -7.112 15.138 2.943 85 H LYS 11 HN LYS 11 -7.218 9.512 4.087 86 HZ1 LYS 11 HZ1 LYS 11 -0.758 13.797 4.492 87 HZ2 LYS 11 HZ2 LYS 11 -2.153 14.741 4.336 88 HZ3 LYS 11 HZ3 LYS 11 -0.996 14.741 3.103 89 H THR 12 HN THR 12 -7.148 7.535 4.107 90 HG1 THR 12 HG1 THR 12 -7.233 7.186 7.570 91 H THR 13 HN THR 13 -4.742 4.250 4.438 92 HG1 THR 13 HG1 THR 13 -3.924 4.161 0.607 93 H ILE 14 HN ILE 14 -7.282 1.094 2.659 94 H PHE 15 HN PHE 15 -5.155 -2.401 4.011 95 H THR 16 HN THR 16 -7.029 -4.475 0.558 96 HG1 THR 16 HG1 THR 16 -8.763 -3.676 1.721 97 H ASP 17 HN ASP 17 -7.660 -8.257 2.259 98 H ALA 18 HN ALA 18 -8.984 -10.009 -1.354 99 H LYS 19 HN LYS 19 -12.628 -12.308 -1.707 100 HZ1 LYS 19 HZ1 LYS 19 -7.594 -14.671 -1.387 101 HZ2 LYS 19 HZ2 LYS 19 -7.865 -13.950 0.128 102 HZ3 LYS 19 HZ3 LYS 19 -8.730 -13.427 -1.231 103 H GLU 20 HN GLU 20 -12.261 -14.164 -5.742 104 H SER 21 HN SER 21 -14.751 -14.833 -4.995 105 HG SER 21 HG SER 21 -15.398 -17.462 -3.847 106 H SER 22 HN SER 22 -15.629 -12.828 -3.603 107 HG SER 22 HG SER 22 -15.658 -12.660 -0.339 108 H THR 23 HN THR 23 -19.184 -10.515 -1.949 109 HG1 THR 23 HG1 THR 23 -20.932 -10.143 -1.430 110 H VAL 24 HN VAL 24 -19.925 -6.700 -4.373 111 H PHE 25 HN PHE 25 -21.123 -5.835 -2.172 112 H GLU 26 HN GLU 26 -20.002 -7.272 -0.312 113 H LEU 27 HN LEU 27 -17.741 -6.104 0.102 114 H LYS 28 HN LYS 28 -18.129 -3.913 1.321 115 HZ1 LYS 28 HZ1 LYS 28 -22.355 -0.114 -1.164 116 HZ2 LYS 28 HZ2 LYS 28 -21.545 1.171 -1.915 117 HZ3 LYS 28 HZ3 LYS 28 -22.060 1.325 -0.309 118 H ARG 29 HN ARG 29 -18.707 -4.937 3.658 119 HE ARG 29 HE ARG 29 -19.907 -8.617 6.658 120 HH11 ARG 29 HH11 ARG 29 -22.405 -10.107 4.701 121 HH12 ARG 29 HH12 ARG 29 -22.160 -11.689 5.376 122 HH21 ARG 29 HH21 ARG 29 -19.570 -10.705 7.523 123 HH22 ARG 29 HH22 ARG 29 -20.543 -12.031 6.970 124 H ILE 30 HN ILE 30 -16.447 -5.647 4.761 125 H VAL 31 HN VAL 31 -15.245 -3.383 5.067 126 H GLU 32 HN GLU 32 -16.809 -2.411 6.908 127 H GLY 33 HN GLY 33 -16.103 -3.662 9.222 128 H ILE 34 HN ILE 34 -13.952 -2.363 9.698 129 H LEU 35 HN LEU 35 -13.662 0.020 9.551 130 H LYS 36 HN LYS 36 -15.180 0.305 11.380 131 HZ1 LYS 36 HZ1 LYS 36 -12.430 1.209 18.083 132 HZ2 LYS 36 HZ2 LYS 36 -13.118 -0.090 18.915 133 HZ3 LYS 36 HZ3 LYS 36 -14.014 1.323 18.661 134 H ARG 37 HN ARG 37 -17.134 1.757 10.394 135 HE ARG 37 HE ARG 37 -15.385 7.232 11.131 136 HH11 ARG 37 HH11 ARG 37 -18.174 8.821 9.706 137 HH12 ARG 37 HH12 ARG 37 -17.798 10.366 10.397 138 HH21 ARG 37 HH21 ARG 37 -14.923 9.261 12.049 139 HH22 ARG 37 HH22 ARG 37 -15.958 10.613 11.722 140 H ASP 40 HN ASP 40 -23.660 1.651 5.593 141 H GLU 41 HN GLU 41 -22.867 4.032 5.035 142 H GLN 42 HN GLN 42 -21.411 3.613 3.201 143 HE21 GLN 42 HE21 GLN 42 -18.590 1.815 6.455 144 HE22 GLN 42 HE22 GLN 42 -17.859 0.272 6.195 145 H ARG 43 HN ARG 43 -18.439 5.289 0.326 146 HE ARG 43 HE ARG 43 -22.646 8.224 -0.986 147 HH11 ARG 43 HH11 ARG 43 -23.900 4.957 -1.103 148 HH12 ARG 43 HH12 ARG 43 -25.421 5.383 -0.386 149 HH21 ARG 43 HH21 ARG 43 -24.655 8.786 -0.086 150 HH22 ARG 43 HH22 ARG 43 -25.859 7.559 0.172 151 H LEU 44 HN LEU 44 -18.756 2.497 -2.818 152 H TYR 45 HN TYR 45 -14.897 3.806 -4.366 153 HH TYR 45 HH TYR 45 -19.746 9.174 -5.125 154 H LYS 46 HN LYS 46 -15.174 2.442 -8.413 155 HZ1 LYS 46 HZ1 LYS 46 -13.051 -3.158 -12.255 156 HZ2 LYS 46 HZ2 LYS 46 -11.428 -3.402 -12.672 157 HZ3 LYS 46 HZ3 LYS 46 -12.172 -1.916 -13.013 158 H ASP 47 HN ASP 47 -11.345 2.433 -10.425 159 H ASP 48 HN ASP 48 -12.326 4.749 -10.848 160 H GLN 49 HN GLN 49 -14.938 4.281 -11.087 161 HE21 GLN 49 HE21 GLN 49 -17.183 7.187 -13.033 162 HE22 GLN 49 HE22 GLN 49 -18.758 7.834 -13.346 163 H LEU 50 HN LEU 50 -19.287 4.539 -10.238 164 H LEU 51 HN LEU 51 -18.600 1.555 -6.840 165 H ASP 52 HN ASP 52 -20.533 -2.192 -8.624 166 H ASP 53 HN ASP 53 -23.247 -2.059 -5.220 167 H GLY 54 HN GLY 54 -24.620 -4.359 -5.766 168 H LYS 55 HN LYS 55 -22.793 -5.995 -6.708 169 HZ1 LYS 55 HZ1 LYS 55 -22.833 -3.725 -11.649 170 HZ2 LYS 55 HZ2 LYS 55 -24.220 -4.197 -10.798 171 HZ3 LYS 55 HZ3 LYS 55 -24.347 -3.661 -12.396 172 H THR 56 HN THR 56 -20.691 -9.596 -8.434 173 HG1 THR 56 HG1 THR 56 -19.973 -11.054 -9.028 174 H LEU 57 HN LEU 57 -16.764 -9.833 -6.137 175 H GLY 58 HN GLY 58 -15.655 -10.845 -8.426 176 H GLU 59 HN GLU 59 -17.432 -10.003 -10.475 177 H CYS 60 HN CYS 60 -16.776 -7.461 -10.498 178 HG CYS 60 HG CYS 60 -18.271 -6.458 -8.727 179 H GLY 61 HN GLY 61 -15.072 -7.221 -12.565 180 H PHE 62 HN PHE 62 -12.985 -8.035 -11.288 181 H THR 63 HN THR 63 -10.034 -8.535 -12.305 182 HG1 THR 63 HG1 THR 63 -8.492 -8.846 -13.401 183 H SER 64 HN SER 64 -7.918 -12.565 -11.521 184 HG SER 64 HG SER 64 -6.380 -15.162 -11.319 185 H GLN 65 HN GLN 65 -6.143 -11.289 -13.023 186 HE21 GLN 65 HE21 GLN 65 -2.471 -12.895 -13.727 187 HE22 GLN 65 HE22 GLN 65 -0.928 -12.598 -14.451 188 H THR 66 HN THR 66 -6.117 -8.907 -12.612 189 HG1 THR 66 HG1 THR 66 -7.808 -7.750 -11.612 190 H ALA 67 HN ALA 67 -6.080 -8.258 -10.403 191 H ARG 68 HN ARG 68 -2.699 -7.292 -8.155 192 HE ARG 68 HE ARG 68 -1.568 -8.381 -12.633 193 HH11 ARG 68 HH11 ARG 68 1.929 -8.658 -12.603 194 HH12 ARG 68 HH12 ARG 68 2.086 -8.390 -14.307 195 HH21 ARG 68 HH21 ARG 68 -1.356 -8.004 -14.863 196 HH22 ARG 68 HH22 ARG 68 0.218 -8.017 -15.595 197 H GLN 70 HN GLN 70 1.132 -8.972 -6.410 198 HE21 GLN 70 HE21 GLN 70 5.104 -10.470 -8.384 199 HE22 GLN 70 HE22 GLN 70 5.471 -9.933 -9.984 200 H ALA 71 HN ALA 71 0.137 -6.907 -6.262 201 H ALA 73 HN ALA 73 -5.712 -4.389 -6.111 202 H THR 74 HN THR 74 -5.642 -0.052 -7.011 203 HG1 THR 74 HG1 THR 74 -4.270 2.314 -6.843 204 H VAL 75 HN VAL 75 -8.523 1.123 -3.698 205 H GLY 76 HN GLY 76 -11.602 3.799 -5.208 206 H LEU 77 HN LEU 77 -11.754 5.557 -1.040 207 H ALA 78 HN ALA 78 -15.806 6.242 -1.187 208 H PHE 79 HN PHE 79 -16.365 9.304 2.062 209 H ARG 80 HN ARG 80 -20.442 8.373 2.933 210 HE ARG 80 HE ARG 80 -24.980 8.982 3.773 211 HH11 ARG 80 HH11 ARG 80 -27.122 9.967 1.170 212 HH12 ARG 80 HH12 ARG 80 -28.370 8.844 1.604 213 HH21 ARG 80 HH21 ARG 80 -26.620 7.506 4.349 214 HH22 ARG 80 HH22 ARG 80 -28.093 7.445 3.418 215 H ALA 81 HN ALA 81 -20.708 12.583 4.331 216 H ASP 82 HN ASP 82 -22.441 13.407 8.304 217 H ASP 83 HN ASP 83 -23.145 17.457 6.479 218 H THR 84 HN THR 84 -20.190 16.700 7.550 219 HG1 THR 84 HG1 THR 84 -18.493 16.588 9.040 220 H PHE 85 HN PHE 85 -17.788 18.723 4.779 221 H GLU 86 HN GLU 86 -16.272 16.423 4.255 222 H ALA 87 HN ALA 87 -16.786 14.495 2.551 223 H LEU 88 HN LEU 88 -16.607 15.425 0.015 224 H CYS 89 HN CYS 89 -13.979 15.659 -0.775 225 HG CYS 89 HG CYS 89 -12.589 15.165 0.840 226 H ILE 90 HN ILE 90 -13.613 13.184 -1.300 227 H GLU 91 HN GLU 91 -14.080 12.449 -3.255 228 H PHE 93 HN PHE 93 -15.534 10.190 -7.661 229 H SER 94 HN SER 94 -15.811 12.597 -7.863 230 HG SER 94 HG SER 94 -17.886 13.516 -6.357 231 H SER 95 HN SER 95 -14.208 13.724 -7.505 232 HG SER 95 HG SER 95 -14.064 15.519 -5.281 233 H GLU 98 HN GLU 98 -6.391 11.994 -4.966 234 H LEU 99 HN LEU 99 -2.599 14.045 -6.200 235 H ASP 101 HN ASP 101 2.260 16.898 -6.347 236 H VAL 102 HN VAL 102 4.848 16.690 -6.388 237 H MET 103 HN MET 103 5.209 14.318 -7.307 238 H LYS 104 HN LYS 104 5.393 14.083 -9.619 239 HZ1 LYS 104 HZ1 LYS 104 -0.144 17.049 -12.973 240 HZ2 LYS 104 HZ2 LYS 104 1.196 17.735 -13.739 241 HZ3 LYS 104 HZ3 LYS 104 1.200 17.534 -12.060 242 H GLN 106 HN GLN 106 6.472 10.804 -13.545 243 HE21 GLN 106 HE21 GLN 106 9.173 11.698 -8.937 244 HE22 GLN 106 HE22 GLN 106 8.650 10.677 -7.644 245 H ASP 107 HN ASP 107 9.250 7.414 -13.480 246 H SER 108 HN SER 108 7.084 4.403 -16.098 247 HG SER 108 HG SER 108 4.719 4.780 -16.645 248 H GLY 109 HN GLY 109 5.707 2.049 -12.505 249 H SER 110 HN SER 110 6.983 -1.776 -11.442 250 HG SER 110 HG SER 110 7.073 -3.404 -10.483 251 H SER 111 HN SER 111 5.122 -2.208 -10.613 252 HG SER 111 HG SER 111 3.947 -4.382 -7.731 253 H ALA 112 HN ALA 112 0.655 -2.957 -10.011 254 H ASN 113 HN ASN 113 -0.004 1.136 -11.766 255 HD21 ASN 113 HD21 ASN 113 0.233 4.634 -7.830 256 HD22 ASN 113 HD22 ASN 113 -0.784 5.979 -8.215 257 H GLU 114 HN GLU 114 2.301 1.123 -10.578 258 H GLN 115 HN GLN 115 5.430 3.697 -8.514 259 HE21 GLN 115 HE21 GLN 115 3.888 8.634 -10.855 260 HE22 GLN 115 HE22 GLN 115 3.377 9.623 -9.535 261 H ALA 116 HN ALA 116 8.071 5.193 -11.729 262 H VAL 117 HN VAL 117 11.280 6.089 -9.113 263 H GLN 118 HN GLN 118 13.074 9.485 -11.616 264 HE21 GLN 118 HE21 GLN 118 12.229 7.484 -15.612 265 HE22 GLN 118 HE22 GLN 118 10.796 8.113 -14.880 266 H1 VAL 1 HN VAL 1 -3.054 -5.183 12.380 267 H LYS 2 HN LYS 2 -1.578 -1.104 12.656 268 HZ1 LYS 2 HZ1 LYS 2 -4.469 4.660 13.989 269 HZ2 LYS 2 HZ2 LYS 2 -5.610 3.920 12.981 270 HZ3 LYS 2 HZ3 LYS 2 -4.857 5.356 12.491 271 H LEU 3 HN LEU 3 -0.330 0.765 8.906 272 H ILE 4 HN ILE 4 2.216 3.758 11.002 273 H SER 5 HN SER 5 1.549 6.843 8.019 274 HG SER 5 HG SER 5 2.686 5.666 6.552 275 H SER 6 HN SER 6 5.520 9.065 7.459 276 HG SER 6 HG SER 6 7.416 9.626 7.408 277 H ASP 7 HN ASP 7 3.891 10.728 6.136 278 H GLY 8 HN GLY 8 1.961 11.330 7.885 279 H HIS 9 HN HIS 9 0.581 9.359 7.162 280 HD1 HIS 9 HD1 HIS 9 -1.597 5.767 4.214 281 H GLU 10 HN GLU 10 -2.984 6.877 6.164 282 H PHE 11 HN PHE 11 -1.415 3.082 7.755 283 H ILE 12 HN ILE 12 -4.124 0.641 6.005 284 H VAL 13 HN VAL 13 -2.633 -2.857 8.191 285 H LYS 14 HN LYS 14 -3.711 -6.131 5.374 286 HZ1 LYS 14 HZ1 LYS 14 -8.628 -12.760 4.122 287 HZ2 LYS 14 HZ2 LYS 14 -7.025 -12.521 3.628 288 HZ3 LYS 14 HZ3 LYS 14 -8.268 -11.563 2.980 289 H ARG 15 HN ARG 15 -5.217 -8.409 9.002 290 HE ARG 15 HE ARG 15 -3.124 -10.767 14.604 291 HH11 ARG 15 HH11 ARG 15 -6.347 -12.123 14.469 292 HH12 ARG 15 HH12 ARG 15 -6.187 -12.993 15.959 293 HH21 ARG 15 HH21 ARG 15 -2.908 -11.899 16.579 294 HH22 ARG 15 HH22 ARG 15 -4.228 -12.857 17.164 295 H GLU 16 HN GLU 16 -4.739 -10.983 7.876 296 H HIS 17 HN HIS 17 -2.412 -10.732 6.132 297 HE2 HIS 17 HE2 HIS 17 -3.565 -11.694 1.327 298 H ALA 18 HN ALA 18 -0.964 -9.878 7.671 299 H LEU 19 HN LEU 19 -0.156 -11.766 9.253 300 H THR 20 HN THR 20 1.662 -13.415 8.130 301 HG1 THR 20 HG1 THR 20 1.800 -15.639 5.989 302 H SER 21 HN SER 21 3.495 -11.601 7.661 303 HG SER 21 HG SER 21 3.221 -9.965 6.363 304 H GLY 22 HN GLY 22 4.351 -11.130 10.094 305 H THR 23 HN THR 23 6.162 -12.936 10.199 306 HG1 THR 23 HG1 THR 23 4.992 -14.581 10.696 307 H ILE 24 HN ILE 24 8.211 -12.730 9.450 308 H LYS 25 HN LYS 25 12.822 -12.802 9.404 309 HZ1 LYS 25 HZ1 LYS 25 18.293 -8.292 13.755 310 HZ2 LYS 25 HZ2 LYS 25 16.793 -7.760 13.191 311 HZ3 LYS 25 HZ3 LYS 25 17.964 -8.297 12.098 312 H ALA 26 HN ALA 26 11.677 -9.629 11.601 313 H MET 27 HN MET 27 12.457 -5.274 10.849 314 H LEU 28 HN LEU 28 11.787 -6.364 13.728 315 H SER 29 HN SER 29 13.039 -6.338 15.856 316 HG SER 29 HG SER 29 13.310 -8.710 18.157 317 H GLY 30 HN GLY 30 13.430 -3.820 16.269 318 H GLY 32 HN GLY 32 13.477 1.298 21.159 319 H GLN 33 HN GLN 33 11.357 0.080 22.609 320 HE21 GLN 33 HE21 GLN 33 9.189 -3.769 27.751 321 HE22 GLN 33 HE22 GLN 33 8.739 -2.610 28.955 322 H PHE 34 HN PHE 34 9.599 -3.472 22.069 323 H ALA 35 HN ALA 35 6.263 -1.109 22.006 324 H GLU 36 HN GLU 36 2.450 -3.065 23.685 325 H ASN 37 HN ASN 37 1.210 -1.024 22.511 326 HD21 ASN 37 HD21 ASN 37 0.373 2.998 19.915 327 HD22 ASN 37 HD22 ASN 37 -1.155 3.770 20.154 328 H GLU 38 HN GLU 38 2.670 -0.344 20.488 329 H THR 39 HN THR 39 2.152 -2.253 19.030 330 HG1 THR 39 HG1 THR 39 3.335 -3.876 19.092 331 H ASN 40 HN ASN 40 0.054 -1.937 17.987 332 HD21 ASN 40 HD21 ASN 40 -3.234 -1.714 20.003 333 HD22 ASN 40 HD22 ASN 40 -3.765 -3.358 20.064 334 H GLU 41 HN GLU 41 -0.340 0.286 16.977 335 H VAL 42 HN VAL 42 1.329 0.999 13.469 336 H ASN 43 HN ASN 43 4.346 3.626 15.292 337 HD21 ASN 43 HD21 ASN 43 2.999 8.074 13.794 338 HD22 ASN 43 HD22 ASN 43 4.169 9.347 13.835 339 H PHE 44 HN PHE 44 5.041 5.853 11.594 340 H ARG 45 HN ARG 45 9.515 6.695 11.372 341 HE ARG 45 HE ARG 45 7.004 9.308 15.090 342 HH11 ARG 45 HH11 ARG 45 8.074 12.597 14.573 343 HH12 ARG 45 HH12 ARG 45 7.044 13.259 15.801 344 HH21 ARG 45 HH21 ARG 45 5.647 10.173 16.706 345 HH22 ARG 45 HH22 ARG 45 5.650 11.885 17.005 346 H GLU 46 HN GLU 46 9.527 10.699 9.745 347 H ILE 47 HN ILE 47 9.261 8.673 8.102 348 H SER 49 HN SER 49 4.688 8.985 3.187 349 HG SER 49 HG SER 49 3.108 9.565 3.006 350 H HIS 50 HN HIS 50 4.842 8.256 0.615 351 HE2 HIS 50 HE2 HIS 50 4.098 7.720 -6.192 352 H VAL 51 HN VAL 51 7.154 6.576 0.061 353 H LEU 52 HN LEU 52 6.505 4.866 1.630 354 H SER 53 HN SER 53 4.566 3.426 0.651 355 HG SER 53 HG SER 53 3.920 3.745 -1.604 356 H LYS 54 HN LYS 54 5.664 1.675 -1.064 357 HZ1 LYS 54 HZ1 LYS 54 8.374 -1.112 -7.055 358 HZ2 LYS 54 HZ2 LYS 54 7.788 -1.971 -5.718 359 HZ3 LYS 54 HZ3 LYS 54 9.092 -2.582 -6.603 360 H VAL 55 HN VAL 55 6.785 0.033 0.591 361 H CYS 56 HN CYS 56 4.946 -1.276 1.942 362 HG CYS 56 HG CYS 56 4.031 -0.024 3.131 363 H MET 57 HN MET 57 3.912 -2.505 -0.100 364 H TYR 58 HN TYR 58 5.854 -4.168 -0.929 365 HH TYR 58 HH TYR 58 13.074 -8.782 -1.621 366 H PHE 59 HN PHE 59 5.964 -5.810 1.178 367 H THR 60 HN THR 60 3.573 -7.065 1.095 368 HG1 THR 60 HG1 THR 60 1.786 -6.300 1.374 369 H TYR 61 HN TYR 61 3.915 -8.461 -1.167 370 HH TYR 61 HH TYR 61 7.406 -13.149 -7.416 371 H LYS 62 HN LYS 62 5.809 -10.141 -0.418 372 HZ1 LYS 62 HZ1 LYS 62 12.608 -12.405 -2.027 373 HZ2 LYS 62 HZ2 LYS 62 11.961 -10.867 -1.743 374 HZ3 LYS 62 HZ3 LYS 62 11.166 -11.947 -2.784 375 H VAL 63 HN VAL 63 4.521 -11.719 1.286 376 H ARG 64 HN ARG 64 2.765 -13.198 -0.251 377 HE ARG 64 HE ARG 64 -2.340 -13.747 -0.296 378 HH11 ARG 64 HH11 ARG 64 -2.477 -16.114 -2.867 379 HH12 ARG 64 HH12 ARG 64 -4.212 -16.073 -2.996 380 HH21 ARG 64 HH21 ARG 64 -4.621 -13.645 -0.473 381 HH22 ARG 64 HH22 ARG 64 -5.427 -14.662 -1.642 382 H TYR 65 HN TYR 65 4.454 -14.282 -1.863 383 HH TYR 65 HH TYR 65 11.465 -17.712 -5.304 384 H THR 66 HN THR 66 5.872 -16.047 -0.243 385 HG1 THR 66 HG1 THR 66 7.318 -15.487 0.938 386 H ASN 67 HN ASN 67 4.299 -18.315 -0.789 387 HD21 ASN 67 HD21 ASN 67 -0.280 -17.809 0.887 388 HD22 ASN 67 HD22 ASN 67 -1.176 -19.167 1.471 389 H SER 68 HN SER 68 2.297 -18.671 -1.779 390 HG SER 68 HG SER 68 -1.138 -18.959 -1.802 391 H SER 69 HN SER 69 2.737 -18.068 -3.468 392 HG SER 69 HG SER 69 1.321 -16.673 -5.382 393 H THR 70 HN THR 70 4.519 -20.230 -4.659 394 HG1 THR 70 HG1 THR 70 6.079 -19.948 -2.631 395 H GLU 71 HN GLU 71 5.158 -20.220 -7.166 396 H ILE 72 HN ILE 72 6.301 -18.722 -8.304 397 H GLU 74 HN GLU 74 11.821 -14.347 -9.132 398 H PHE 75 HN PHE 75 10.512 -10.869 -6.408 399 H ILE 77 HN ILE 77 13.225 -7.710 -11.593 400 H ALA 78 HN ALA 78 12.389 -4.565 -11.554 401 H GLU 80 HN GLU 80 13.760 1.480 -10.821 402 H ILE 81 HN ILE 81 13.477 0.610 -7.383 403 H ALA 82 HN ALA 82 14.215 -0.250 -5.829 404 H LEU 83 HN LEU 83 16.593 0.174 -4.707 405 H GLU 84 HN GLU 84 16.184 2.377 -3.555 406 H LEU 85 HN LEU 85 14.865 1.783 -1.369 407 H LEU 86 HN LEU 86 16.512 0.673 -0.070 408 H MET 87 HN MET 87 17.869 2.538 1.056 409 H ALA 88 HN ALA 88 16.990 2.725 3.608 410 H ALA 89 HN ALA 89 18.422 1.339 5.348 411 H ASN 90 HN ASN 90 18.084 1.965 8.935 412 HD21 ASN 90 HD21 ASN 90 16.299 1.895 13.657 413 HD22 ASN 90 HD22 ASN 90 17.485 1.150 14.675 414 H PHE 91 HN PHE 91 16.905 -0.898 8.252 Start of MODEL 13 1 H1 GLY 6 HT1 GLY 6 19.449 -4.352 7.797 2 H2 GLY 6 HT2 GLY 6 19.026 -3.599 9.249 3 H3 GLY 6 HT3 GLY 6 17.911 -3.659 7.975 4 H SER 7 HN SER 7 15.662 -5.916 8.891 5 HG SER 7 HG SER 7 13.865 -5.304 8.428 6 H LEU 8 HN LEU 8 14.480 -4.730 6.577 7 H GLN 9 HN GLN 9 16.807 -4.255 5.570 8 HE21 GLN 9 HE21 GLN 9 23.197 -4.423 5.014 9 HE22 GLN 9 HE22 GLN 9 23.500 -4.459 6.714 10 H TYR 10 HN TYR 10 17.546 -6.536 4.284 11 HH TYR 10 HH TYR 10 17.348 -14.121 0.839 12 H LEU 11 HN LEU 11 15.909 -7.364 3.071 13 H ALA 12 HN ALA 12 15.623 -5.461 1.098 14 H LEU 13 HN LEU 13 17.622 -5.938 -0.480 15 H ALA 14 HN ALA 14 17.161 -8.202 -1.484 16 H ALA 15 HN ALA 15 15.478 -7.516 -3.171 17 H LEU 16 HN LEU 16 15.925 -5.828 -4.897 18 H ILE 17 HN ILE 17 18.418 -6.408 -7.991 19 H LYS 18 HN LYS 18 20.351 -3.264 -6.168 20 HZ1 LYS 18 HZ1 LYS 18 16.938 3.052 -7.615 21 HZ2 LYS 18 HZ2 LYS 18 17.598 4.334 -8.509 22 HZ3 LYS 18 HZ3 LYS 18 17.994 4.147 -6.869 23 H LYS 20 HN LYS 20 24.404 0.852 -6.564 24 HZ1 LYS 20 HZ1 LYS 20 22.296 5.213 -12.805 25 HZ2 LYS 20 HZ2 LYS 20 23.487 4.018 -12.691 26 HZ3 LYS 20 HZ3 LYS 20 23.236 5.088 -11.399 27 H GLN 21 HN GLN 21 25.454 4.921 -7.770 28 HE21 GLN 21 HE21 GLN 21 30.379 4.394 -6.922 29 HE22 GLN 21 HE22 GLN 21 30.788 4.345 -5.243 30 H ILE 22 HN ILE 22 26.618 6.371 -3.585 31 H LYS 23 HN LYS 23 23.050 8.583 -1.888 32 HZ1 LYS 23 HZ1 LYS 23 26.676 13.751 -1.947 33 HZ2 LYS 23 HZ2 LYS 23 27.286 15.154 -2.676 34 HZ3 LYS 23 HZ3 LYS 23 27.183 13.721 -3.570 35 H LEU 26 HN LEU 26 16.687 13.310 -2.530 36 H SER 28 HN SER 28 14.431 18.230 -2.408 37 HG SER 28 HG SER 28 15.037 19.272 -4.784 38 H VAL 29 HN VAL 29 13.009 16.312 -3.157 39 H ARG 30 HN ARG 30 11.649 12.717 -3.465 40 HE ARG 30 HE ARG 30 8.353 13.317 0.166 41 HH11 ARG 30 HH11 ARG 30 5.639 11.121 -0.037 42 HH12 ARG 30 HH12 ARG 30 4.937 11.638 1.467 43 HH21 ARG 30 HH21 ARG 30 7.395 14.047 2.123 44 HH22 ARG 30 HH22 ARG 30 5.910 13.311 2.671 45 H LYS 31 HN LYS 31 13.880 11.944 -2.542 46 HZ1 LYS 31 HZ1 LYS 31 17.109 6.447 -6.162 47 HZ2 LYS 31 HZ2 LYS 31 17.397 8.121 -6.111 48 HZ3 LYS 31 HZ3 LYS 31 17.753 7.246 -7.515 49 H LEU 32 HN LEU 32 16.412 8.465 -2.688 50 H THR 33 HN THR 33 20.227 10.949 -3.503 51 HG1 THR 33 HG1 THR 33 19.522 12.629 -4.149 52 H GLU 34 HN GLU 34 21.975 11.178 -7.539 53 H ASP 35 HN ASP 35 25.736 9.455 -6.477 54 H ARG 36 HN ARG 36 27.275 10.418 -4.793 55 HE ARG 36 HE ARG 36 30.455 7.426 -3.740 56 HH11 ARG 36 HH11 ARG 36 33.633 7.255 -2.289 57 HH12 ARG 36 HH12 ARG 36 33.373 5.684 -1.604 58 HH21 ARG 36 HH21 ARG 36 30.099 5.376 -2.844 59 HH22 ARG 36 HH22 ARG 36 31.346 4.616 -1.902 60 H TRP 37 HN TRP 37 28.702 11.356 -3.044 61 HE1 TRP 37 HE1 TRP 37 26.456 8.169 3.035 62 H1 MET 1 HT1 MET 1 -9.140 -15.450 -8.970 63 H2 MET 1 HT2 MET 1 -8.982 -17.116 -9.231 64 H3 MET 1 HT3 MET 1 -7.851 -16.306 -8.276 65 H ASP 2 HN ASP 2 -7.428 -15.785 -6.545 66 H VAL 3 HN VAL 3 -8.556 -12.281 -3.840 67 H PHE 4 HN PHE 4 -6.510 -8.967 -5.609 68 H LEU 5 HN LEU 5 -7.223 -6.293 -2.401 69 H MET 6 HN MET 6 -7.291 -1.969 -3.463 70 H ILE 7 HN ILE 7 -8.363 -1.004 0.336 71 H ARG 8 HN ARG 8 -8.960 2.848 -1.259 72 HE ARG 8 HE ARG 8 -4.986 8.128 -0.546 73 HH11 ARG 8 HH11 ARG 8 -3.528 6.562 -3.327 74 HH12 ARG 8 HH12 ARG 8 -2.660 7.978 -3.823 75 HH21 ARG 8 HH21 ARG 8 -3.811 9.999 -1.185 76 HH22 ARG 8 HH22 ARG 8 -2.813 9.923 -2.607 77 H ARG 9 HN ARG 9 -8.831 4.946 2.374 78 HE ARG 9 HE ARG 9 -10.123 7.471 6.244 79 HH11 ARG 9 HH11 ARG 9 -12.621 9.747 5.300 80 HH12 ARG 9 HH12 ARG 9 -11.757 11.145 5.868 81 HH21 ARG 9 HH21 ARG 9 -8.999 9.276 7.020 82 HH22 ARG 9 HH22 ARG 9 -9.694 10.862 6.882 83 H HIS 10 HN HIS 10 -9.129 7.974 0.304 84 HE2 HIS 10 HE2 HIS 10 -5.768 14.009 0.308 85 H LYS 11 HN LYS 11 -7.184 9.539 3.523 86 HZ1 LYS 11 HZ1 LYS 11 -1.616 15.047 4.323 87 HZ2 LYS 11 HZ2 LYS 11 -1.130 13.697 5.223 88 HZ3 LYS 11 HZ3 LYS 11 -2.533 14.536 5.651 89 H THR 12 HN THR 12 -7.234 7.603 4.190 90 HG1 THR 12 HG1 THR 12 -7.373 7.254 7.419 91 H THR 13 HN THR 13 -4.811 4.358 4.303 92 HG1 THR 13 HG1 THR 13 -3.312 4.413 1.079 93 H ILE 14 HN ILE 14 -7.395 1.216 2.623 94 H PHE 15 HN PHE 15 -5.242 -2.294 3.979 95 H THR 16 HN THR 16 -7.042 -4.338 0.470 96 HG1 THR 16 HG1 THR 16 -8.840 -3.534 1.524 97 H ASP 17 HN ASP 17 -7.958 -8.067 2.233 98 H ALA 18 HN ALA 18 -9.058 -9.898 -1.276 99 H LYS 19 HN LYS 19 -12.596 -12.345 -1.695 100 HZ1 LYS 19 HZ1 LYS 19 -7.660 -14.711 -0.905 101 HZ2 LYS 19 HZ2 LYS 19 -7.670 -15.020 0.760 102 HZ3 LYS 19 HZ3 LYS 19 -8.575 -13.740 0.142 103 H GLU 20 HN GLU 20 -12.007 -14.263 -5.678 104 H SER 21 HN SER 21 -14.517 -14.931 -5.042 105 HG SER 21 HG SER 21 -15.947 -17.529 -5.639 106 H SER 22 HN SER 22 -15.421 -12.960 -3.714 107 HG SER 22 HG SER 22 -15.378 -12.943 -0.643 108 H THR 23 HN THR 23 -18.845 -10.563 -1.791 109 HG1 THR 23 HG1 THR 23 -20.537 -10.332 -1.288 110 H VAL 24 HN VAL 24 -19.864 -6.876 -4.275 111 H PHE 25 HN PHE 25 -21.124 -5.984 -2.111 112 H GLU 26 HN GLU 26 -19.973 -7.361 -0.186 113 H LEU 27 HN LEU 27 -17.641 -6.197 0.108 114 H LYS 28 HN LYS 28 -18.119 -3.856 1.231 115 HZ1 LYS 28 HZ1 LYS 28 -22.566 -0.450 -1.307 116 HZ2 LYS 28 HZ2 LYS 28 -21.974 0.991 -1.979 117 HZ3 LYS 28 HZ3 LYS 28 -22.509 0.972 -0.376 118 H ARG 29 HN ARG 29 -18.929 -4.704 3.598 119 HE ARG 29 HE ARG 29 -21.595 -7.381 7.301 120 HH11 ARG 29 HH11 ARG 29 -22.097 -9.640 4.671 121 HH12 ARG 29 HH12 ARG 29 -21.985 -11.043 5.686 122 HH21 ARG 29 HH21 ARG 29 -21.437 -9.229 8.643 123 HH22 ARG 29 HH22 ARG 29 -21.606 -10.809 7.945 124 H ILE 30 HN ILE 30 -16.678 -5.564 4.608 125 H VAL 31 HN VAL 31 -15.189 -3.401 4.961 126 H GLU 32 HN GLU 32 -16.718 -2.403 6.803 127 H GLY 33 HN GLY 33 -16.052 -3.694 9.121 128 H ILE 34 HN ILE 34 -14.095 -2.162 9.721 129 H LEU 35 HN LEU 35 -13.515 0.024 9.514 130 H LYS 36 HN LYS 36 -14.941 0.287 11.380 131 HZ1 LYS 36 HZ1 LYS 36 -13.234 -0.764 15.721 132 HZ2 LYS 36 HZ2 LYS 36 -12.967 -1.377 17.270 133 HZ3 LYS 36 HZ3 LYS 36 -12.389 0.160 16.861 134 H ARG 37 HN ARG 37 -16.735 1.826 10.181 135 HE ARG 37 HE ARG 37 -15.119 5.536 12.055 136 HH11 ARG 37 HH11 ARG 37 -17.532 8.074 11.885 137 HH12 ARG 37 HH12 ARG 37 -16.769 9.055 13.092 138 HH21 ARG 37 HH21 ARG 37 -14.118 6.822 13.655 139 HH22 ARG 37 HH22 ARG 37 -14.824 8.344 14.100 140 H ASP 40 HN ASP 40 -23.496 1.535 5.820 141 H GLU 41 HN GLU 41 -23.036 4.113 4.975 142 H GLN 42 HN GLN 42 -21.618 3.479 2.963 143 HE21 GLN 42 HE21 GLN 42 -18.482 1.701 6.337 144 HE22 GLN 42 HE22 GLN 42 -17.657 0.218 6.011 145 H ARG 43 HN ARG 43 -18.403 5.261 0.399 146 HE ARG 43 HE ARG 43 -23.054 7.694 -1.083 147 HH11 ARG 43 HH11 ARG 43 -22.604 4.300 -0.356 148 HH12 ARG 43 HH12 ARG 43 -23.896 4.240 0.806 149 HH21 ARG 43 HH21 ARG 43 -24.739 7.621 0.458 150 HH22 ARG 43 HH22 ARG 43 -25.106 6.137 1.277 151 H LEU 44 HN LEU 44 -18.638 2.648 -2.934 152 H TYR 45 HN TYR 45 -14.746 3.877 -4.394 153 HH TYR 45 HH TYR 45 -19.652 9.294 -5.308 154 H LYS 46 HN LYS 46 -15.083 2.451 -8.356 155 HZ1 LYS 46 HZ1 LYS 46 -11.661 -1.281 -12.424 156 HZ2 LYS 46 HZ2 LYS 46 -10.507 -2.520 -12.377 157 HZ3 LYS 46 HZ3 LYS 46 -10.384 -1.210 -11.317 158 H ASP 47 HN ASP 47 -11.046 2.742 -10.020 159 H ASP 48 HN ASP 48 -12.182 5.064 -10.145 160 H GLN 49 HN GLN 49 -14.649 4.439 -10.726 161 HE21 GLN 49 HE21 GLN 49 -16.918 7.026 -13.091 162 HE22 GLN 49 HE22 GLN 49 -18.453 7.379 -13.804 163 H LEU 50 HN LEU 50 -19.074 4.757 -10.256 164 H LEU 51 HN LEU 51 -18.813 1.561 -7.001 165 H ASP 52 HN ASP 52 -20.495 -2.485 -8.212 166 H ASP 53 HN ASP 53 -23.882 -2.279 -5.453 167 H GLY 54 HN GLY 54 -24.784 -4.767 -6.041 168 H LYS 55 HN LYS 55 -22.782 -6.163 -6.742 169 HZ1 LYS 55 HZ1 LYS 55 -22.399 -5.725 -14.015 170 HZ2 LYS 55 HZ2 LYS 55 -22.443 -4.114 -13.508 171 HZ3 LYS 55 HZ3 LYS 55 -23.813 -4.821 -14.204 172 H THR 56 HN THR 56 -20.685 -9.782 -8.471 173 HG1 THR 56 HG1 THR 56 -19.983 -11.360 -9.060 174 H LEU 57 HN LEU 57 -16.743 -10.035 -6.149 175 H GLY 58 HN GLY 58 -15.695 -11.116 -8.481 176 H GLU 59 HN GLU 59 -17.492 -10.308 -10.451 177 H CYS 60 HN CYS 60 -16.766 -7.852 -10.422 178 HG CYS 60 HG CYS 60 -18.341 -6.783 -8.547 179 H GLY 61 HN GLY 61 -15.119 -7.531 -12.376 180 H PHE 62 HN PHE 62 -13.300 -7.665 -10.799 181 H THR 63 HN THR 63 -9.668 -8.293 -12.032 182 HG1 THR 63 HG1 THR 63 -8.825 -8.982 -14.820 183 H SER 64 HN SER 64 -7.639 -12.361 -11.902 184 HG SER 64 HG SER 64 -6.887 -14.494 -10.536 185 H GLN 65 HN GLN 65 -6.090 -10.731 -13.249 186 HE21 GLN 65 HE21 GLN 65 -2.196 -12.443 -16.250 187 HE22 GLN 65 HE22 GLN 65 -0.840 -11.390 -16.441 188 H THR 66 HN THR 66 -6.255 -8.364 -12.711 189 HG1 THR 66 HG1 THR 66 -7.679 -7.531 -11.560 190 H ALA 67 HN ALA 67 -5.996 -8.247 -10.473 191 H ARG 68 HN ARG 68 -2.914 -7.116 -8.098 192 HE ARG 68 HE ARG 68 -1.600 -7.918 -12.729 193 HH11 ARG 68 HH11 ARG 68 1.881 -7.554 -12.549 194 HH12 ARG 68 HH12 ARG 68 2.047 -7.027 -14.191 195 HH21 ARG 68 HH21 ARG 68 -1.391 -7.246 -14.903 196 HH22 ARG 68 HH22 ARG 68 0.172 -6.833 -15.529 197 H GLN 70 HN GLN 70 1.120 -8.553 -6.429 198 HE21 GLN 70 HE21 GLN 70 4.611 -10.237 -8.168 199 HE22 GLN 70 HE22 GLN 70 5.497 -9.799 -9.585 200 H ALA 71 HN ALA 71 0.068 -6.646 -6.347 201 H ALA 73 HN ALA 73 -5.803 -4.347 -6.214 202 H THR 74 HN THR 74 -5.653 -0.019 -7.160 203 HG1 THR 74 HG1 THR 74 -3.852 2.423 -6.731 204 H VAL 75 HN VAL 75 -8.480 0.992 -3.915 205 H GLY 76 HN GLY 76 -11.549 3.867 -5.204 206 H LEU 77 HN LEU 77 -11.709 5.589 -0.981 207 H ALA 78 HN ALA 78 -15.817 6.150 -0.956 208 H PHE 79 HN PHE 79 -16.623 9.425 2.057 209 H ARG 80 HN ARG 80 -20.654 8.539 2.662 210 HE ARG 80 HE ARG 80 -25.199 9.488 2.184 211 HH11 ARG 80 HH11 ARG 80 -26.292 10.538 -0.982 212 HH12 ARG 80 HH12 ARG 80 -27.588 9.385 -1.052 213 HH21 ARG 80 HH21 ARG 80 -26.876 7.958 2.077 214 HH22 ARG 80 HH22 ARG 80 -27.925 7.921 0.686 215 H ALA 81 HN ALA 81 -20.519 12.443 4.296 216 H ASP 82 HN ASP 82 -23.681 13.288 7.174 217 H ASP 83 HN ASP 83 -23.488 17.576 5.639 218 H THR 84 HN THR 84 -20.996 16.620 6.048 219 HG1 THR 84 HG1 THR 84 -19.795 16.153 8.070 220 H PHE 85 HN PHE 85 -17.752 18.780 4.723 221 H GLU 86 HN GLU 86 -16.156 16.715 4.133 222 H ALA 87 HN ALA 87 -17.211 14.843 2.580 223 H LEU 88 HN LEU 88 -16.905 15.497 0.018 224 H CYS 89 HN CYS 89 -14.634 15.554 -0.494 225 HG CYS 89 HG CYS 89 -11.861 18.111 0.784 226 H ILE 90 HN ILE 90 -13.701 13.084 -0.581 227 H GLU 91 HN GLU 91 -14.099 12.592 -3.098 228 H PHE 93 HN PHE 93 -15.394 10.411 -7.578 229 H SER 94 HN SER 94 -15.751 12.765 -7.786 230 HG SER 94 HG SER 94 -18.511 13.855 -6.885 231 H SER 95 HN SER 95 -14.058 13.720 -7.584 232 HG SER 95 HG SER 95 -13.890 15.446 -4.885 233 H GLU 98 HN GLU 98 -6.009 11.108 -5.162 234 H LEU 99 HN LEU 99 -3.165 13.384 -6.785 235 H ASP 101 HN ASP 101 2.239 16.586 -6.303 236 H VAL 102 HN VAL 102 4.829 16.409 -6.288 237 H MET 103 HN MET 103 5.076 14.050 -7.045 238 H LYS 104 HN LYS 104 5.582 13.775 -9.549 239 HZ1 LYS 104 HZ1 LYS 104 1.202 17.079 -14.370 240 HZ2 LYS 104 HZ2 LYS 104 -0.299 16.375 -14.043 241 HZ3 LYS 104 HZ3 LYS 104 0.360 16.282 -15.598 242 H GLN 106 HN GLN 106 6.567 10.448 -12.982 243 HE21 GLN 106 HE21 GLN 106 9.048 11.411 -8.451 244 HE22 GLN 106 HE22 GLN 106 8.764 10.411 -7.073 245 H ASP 107 HN ASP 107 9.278 7.396 -14.169 246 H SER 108 HN SER 108 5.806 4.746 -15.633 247 HG SER 108 HG SER 108 2.729 3.957 -14.790 248 H GLY 109 HN GLY 109 6.042 1.648 -12.256 249 H SER 110 HN SER 110 7.006 -1.852 -11.630 250 HG SER 110 HG SER 110 7.140 -3.513 -10.668 251 H SER 111 HN SER 111 5.195 -2.532 -10.891 252 HG SER 111 HG SER 111 4.650 -4.200 -8.363 253 H ALA 112 HN ALA 112 0.673 -2.823 -10.636 254 H ASN 113 HN ASN 113 0.001 1.656 -11.329 255 HD21 ASN 113 HD21 ASN 113 0.515 4.502 -7.824 256 HD22 ASN 113 HD22 ASN 113 -0.774 5.484 -7.214 257 H GLU 114 HN GLU 114 2.260 0.999 -9.907 258 H GLN 115 HN GLN 115 5.083 3.891 -8.295 259 HE21 GLN 115 HE21 GLN 115 3.976 8.527 -11.299 260 HE22 GLN 115 HE22 GLN 115 3.232 9.503 -10.083 261 H ALA 116 HN ALA 116 8.097 4.952 -11.461 262 H VAL 117 HN VAL 117 10.934 6.176 -8.544 263 H GLN 118 HN GLN 118 12.602 9.418 -11.287 264 HE21 GLN 118 HE21 GLN 118 14.472 5.869 -12.697 265 HE22 GLN 118 HE22 GLN 118 12.883 5.210 -12.924 266 H1 VAL 1 HN VAL 1 -2.957 -5.213 12.259 267 H LYS 2 HN LYS 2 -1.883 -0.855 12.800 268 HZ1 LYS 2 HZ1 LYS 2 -4.712 5.657 13.627 269 HZ2 LYS 2 HZ2 LYS 2 -5.944 4.680 13.002 270 HZ3 LYS 2 HZ3 LYS 2 -5.245 5.882 12.032 271 H LEU 3 HN LEU 3 -0.557 0.633 9.067 272 H ILE 4 HN ILE 4 1.915 3.790 10.951 273 H SER 5 HN SER 5 1.663 6.983 7.889 274 HG SER 5 HG SER 5 1.967 6.490 6.009 275 H SER 6 HN SER 6 5.641 9.077 7.460 276 HG SER 6 HG SER 6 7.380 9.715 7.375 277 H ASP 7 HN ASP 7 3.777 10.523 6.063 278 H GLY 8 HN GLY 8 1.832 10.787 7.626 279 H HIS 9 HN HIS 9 0.538 9.394 6.218 280 HD1 HIS 9 HD1 HIS 9 -2.274 6.166 3.120 281 H GLU 10 HN GLU 10 -3.167 6.885 6.250 282 H PHE 11 HN PHE 11 -1.336 3.115 7.545 283 H ILE 12 HN ILE 12 -4.256 0.521 5.897 284 H VAL 13 HN VAL 13 -2.869 -2.933 8.279 285 H LYS 14 HN LYS 14 -3.630 -6.373 5.515 286 HZ1 LYS 14 HZ1 LYS 14 -8.476 -12.938 3.944 287 HZ2 LYS 14 HZ2 LYS 14 -6.803 -13.194 4.038 288 HZ3 LYS 14 HZ3 LYS 14 -7.430 -12.048 2.953 289 H ARG 15 HN ARG 15 -5.312 -8.553 9.140 290 HE ARG 15 HE ARG 15 -3.529 -10.888 15.024 291 HH11 ARG 15 HH11 ARG 15 -5.759 -13.325 13.855 292 HH12 ARG 15 HH12 ARG 15 -5.345 -14.473 15.087 293 HH21 ARG 15 HH21 ARG 15 -2.997 -12.382 16.663 294 HH22 ARG 15 HH22 ARG 15 -3.780 -13.931 16.694 295 H GLU 16 HN GLU 16 -4.746 -11.180 8.207 296 H HIS 17 HN HIS 17 -2.558 -10.862 6.439 297 HE2 HIS 17 HE2 HIS 17 -3.596 -11.526 1.438 298 H ALA 18 HN ALA 18 -1.032 -9.782 7.856 299 H LEU 19 HN LEU 19 -0.250 -11.622 9.679 300 H THR 20 HN THR 20 1.482 -13.425 8.387 301 HG1 THR 20 HG1 THR 20 1.193 -14.527 5.892 302 H SER 21 HN SER 21 3.319 -11.595 7.859 303 HG SER 21 HG SER 21 3.098 -10.090 6.499 304 H GLY 22 HN GLY 22 4.308 -11.193 10.194 305 H THR 23 HN THR 23 6.084 -13.030 10.181 306 HG1 THR 23 HG1 THR 23 4.851 -14.698 10.877 307 H ILE 24 HN ILE 24 8.143 -12.793 9.534 308 H LYS 25 HN LYS 25 12.738 -12.940 9.567 309 HZ1 LYS 25 HZ1 LYS 25 19.129 -9.749 12.131 310 HZ2 LYS 25 HZ2 LYS 25 19.503 -11.395 12.120 311 HZ3 LYS 25 HZ3 LYS 25 19.701 -10.497 13.535 312 H ALA 26 HN ALA 26 11.435 -9.823 11.655 313 H MET 27 HN MET 27 12.660 -5.513 10.803 314 H LEU 28 HN LEU 28 11.755 -6.311 13.838 315 H SER 29 HN SER 29 13.001 -6.000 15.909 316 HG SER 29 HG SER 29 15.172 -7.252 16.334 317 H GLY 30 HN GLY 30 13.386 -3.455 16.123 318 H GLY 32 HN GLY 32 13.615 1.197 21.567 319 H GLN 33 HN GLN 33 11.689 -0.112 22.840 320 HE21 GLN 33 HE21 GLN 33 8.093 -3.900 27.232 321 HE22 GLN 33 HE22 GLN 33 6.653 -2.959 27.044 322 H PHE 34 HN PHE 34 9.331 -3.691 22.393 323 H ALA 35 HN ALA 35 6.294 -1.351 22.458 324 H GLU 36 HN GLU 36 2.554 -3.770 23.708 325 H ASN 37 HN ASN 37 1.238 -1.597 22.922 326 HD21 ASN 37 HD21 ASN 37 0.101 1.470 25.054 327 HD22 ASN 37 HD22 ASN 37 -1.602 1.334 25.305 328 H GLU 38 HN GLU 38 2.658 -0.469 21.040 329 H THR 39 HN THR 39 2.231 -2.074 19.284 330 HG1 THR 39 HG1 THR 39 3.505 -3.479 19.081 331 H ASN 40 HN ASN 40 0.298 -1.278 18.090 332 HD21 ASN 40 HD21 ASN 40 -4.526 -0.453 18.923 333 HD22 ASN 40 HD22 ASN 40 -5.052 -2.069 19.244 334 H GLU 41 HN GLU 41 -0.237 0.845 17.019 335 H VAL 42 HN VAL 42 1.457 1.101 13.660 336 H ASN 43 HN ASN 43 4.534 4.084 15.000 337 HD21 ASN 43 HD21 ASN 43 2.211 7.978 13.896 338 HD22 ASN 43 HD22 ASN 43 2.898 9.448 13.292 339 H PHE 44 HN PHE 44 5.018 5.602 11.069 340 H ARG 45 HN ARG 45 8.598 7.103 12.306 341 HE ARG 45 HE ARG 45 7.211 9.138 16.373 342 HH11 ARG 45 HH11 ARG 45 8.450 12.382 15.938 343 HH12 ARG 45 HH12 ARG 45 7.391 13.081 17.119 344 HH21 ARG 45 HH21 ARG 45 5.820 10.056 17.932 345 HH22 ARG 45 HH22 ARG 45 5.908 11.756 18.269 346 H GLU 46 HN GLU 46 9.114 10.744 9.634 347 H ILE 47 HN ILE 47 9.074 8.706 8.128 348 H SER 49 HN SER 49 4.780 9.175 2.809 349 HG SER 49 HG SER 49 3.170 9.837 2.128 350 H HIS 50 HN HIS 50 4.974 8.118 0.368 351 HE2 HIS 50 HE2 HIS 50 5.551 6.503 -6.406 352 H VAL 51 HN VAL 51 7.373 6.427 0.103 353 H LEU 52 HN LEU 52 6.539 4.736 1.880 354 H SER 53 HN SER 53 4.535 3.406 0.874 355 HG SER 53 HG SER 53 2.721 4.143 0.468 356 H LYS 54 HN LYS 54 5.824 1.861 -0.789 357 HZ1 LYS 54 HZ1 LYS 54 8.255 -1.699 -6.760 358 HZ2 LYS 54 HZ2 LYS 54 8.814 -1.979 -5.184 359 HZ3 LYS 54 HZ3 LYS 54 9.920 -1.677 -6.426 360 H VAL 55 HN VAL 55 6.996 0.082 0.686 361 H CYS 56 HN CYS 56 5.070 -1.266 1.963 362 HG CYS 56 HG CYS 56 1.863 -0.458 4.236 363 H MET 57 HN MET 57 4.002 -2.512 -0.291 364 H TYR 58 HN TYR 58 5.936 -4.245 -0.948 365 HH TYR 58 HH TYR 58 13.011 -9.097 -1.851 366 H PHE 59 HN PHE 59 5.976 -5.889 1.125 367 H THR 60 HN THR 60 3.560 -7.049 1.035 368 HG1 THR 60 HG1 THR 60 1.816 -6.233 1.300 369 H TYR 61 HN TYR 61 3.812 -8.430 -1.262 370 HH TYR 61 HH TYR 61 7.427 -12.982 -7.533 371 H LYS 62 HN LYS 62 5.750 -10.123 -0.579 372 HZ1 LYS 62 HZ1 LYS 62 12.532 -12.824 -2.024 373 HZ2 LYS 62 HZ2 LYS 62 11.991 -11.233 -1.836 374 HZ3 LYS 62 HZ3 LYS 62 11.140 -12.305 -2.835 375 H VAL 63 HN VAL 63 4.482 -11.701 1.237 376 H ARG 64 HN ARG 64 2.565 -13.253 -0.177 377 HE ARG 64 HE ARG 64 -2.465 -13.455 0.272 378 HH11 ARG 64 HH11 ARG 64 -2.470 -16.135 -1.968 379 HH12 ARG 64 HH12 ARG 64 -4.185 -16.061 -2.266 380 HH21 ARG 64 HH21 ARG 64 -4.723 -13.316 -0.129 381 HH22 ARG 64 HH22 ARG 64 -5.461 -14.459 -1.226 382 H TYR 65 HN TYR 65 4.207 -14.286 -1.822 383 HH TYR 65 HH TYR 65 10.520 -16.193 -7.214 384 H THR 66 HN THR 66 5.998 -16.037 -0.412 385 HG1 THR 66 HG1 THR 66 7.359 -15.479 0.922 386 H ASN 67 HN ASN 67 4.203 -17.722 -0.077 387 HD21 ASN 67 HD21 ASN 67 -0.344 -18.604 1.628 388 HD22 ASN 67 HD22 ASN 67 -0.531 -19.750 2.911 389 H SER 68 HN SER 68 2.873 -18.909 -1.724 390 HG SER 68 HG SER 68 -0.283 -19.945 -1.239 391 H SER 69 HN SER 69 2.634 -18.229 -3.384 392 HG SER 69 HG SER 69 0.918 -17.022 -5.261 393 H THR 70 HN THR 70 4.731 -20.084 -4.761 394 HG1 THR 70 HG1 THR 70 6.245 -19.842 -2.966 395 H GLU 71 HN GLU 71 4.924 -20.202 -7.228 396 H ILE 72 HN ILE 72 5.734 -18.441 -8.670 397 H GLU 74 HN GLU 74 11.881 -14.439 -9.370 398 H PHE 75 HN PHE 75 10.874 -10.997 -6.513 399 H ILE 77 HN ILE 77 13.291 -7.726 -12.048 400 H ALA 78 HN ALA 78 12.134 -4.745 -12.045 401 H GLU 80 HN GLU 80 13.480 1.602 -11.078 402 H ILE 81 HN ILE 81 12.809 1.415 -8.495 403 H ALA 82 HN ALA 82 14.982 1.444 -4.919 404 H LEU 83 HN LEU 83 16.730 0.652 -4.596 405 H GLU 84 HN GLU 84 16.170 2.629 -3.237 406 H LEU 85 HN LEU 85 15.035 1.772 -1.073 407 H LEU 86 HN LEU 86 16.651 0.636 0.111 408 H MET 87 HN MET 87 17.882 2.579 1.263 409 H ALA 88 HN ALA 88 17.038 2.810 3.817 410 H ALA 89 HN ALA 89 18.314 1.034 5.433 411 H ASN 90 HN ASN 90 18.420 1.596 8.971 412 HD21 ASN 90 HD21 ASN 90 17.081 2.206 13.671 413 HD22 ASN 90 HD22 ASN 90 17.713 1.058 14.800 414 H PHE 91 HN PHE 91 17.016 -0.936 8.354 Start of MODEL 14 1 H1 GLY 6 HT1 GLY 6 18.917 -3.055 8.940 2 H2 GLY 6 HT2 GLY 6 17.746 -3.174 7.721 3 H3 GLY 6 HT3 GLY 6 19.288 -3.847 7.495 4 H SER 7 HN SER 7 15.605 -5.479 8.820 5 HG SER 7 HG SER 7 13.794 -4.808 8.369 6 H LEU 8 HN LEU 8 14.282 -4.385 6.417 7 H GLN 9 HN GLN 9 16.626 -3.805 5.393 8 HE21 GLN 9 HE21 GLN 9 22.497 -1.518 4.857 9 HE22 GLN 9 HE22 GLN 9 22.905 -1.649 6.533 10 H TYR 10 HN TYR 10 17.422 -6.148 4.268 11 HH TYR 10 HH TYR 10 19.931 -13.501 0.675 12 H LEU 11 HN LEU 11 15.886 -7.085 3.082 13 H ALA 12 HN ALA 12 15.686 -5.387 1.003 14 H LEU 13 HN LEU 13 17.737 -5.854 -0.573 15 H ALA 14 HN ALA 14 16.900 -8.012 -1.428 16 H ALA 15 HN ALA 15 15.697 -7.542 -3.466 17 H LEU 16 HN LEU 16 15.973 -6.009 -5.054 18 H ILE 17 HN ILE 17 18.610 -6.206 -8.385 19 H LYS 18 HN LYS 18 20.628 -3.334 -6.185 20 HZ1 LYS 18 HZ1 LYS 18 17.892 3.550 -8.779 21 HZ2 LYS 18 HZ2 LYS 18 18.456 4.753 -7.728 22 HZ3 LYS 18 HZ3 LYS 18 17.439 3.536 -7.142 23 H LYS 20 HN LYS 20 23.532 0.930 -7.213 24 HZ1 LYS 20 HZ1 LYS 20 19.956 5.486 -10.986 25 HZ2 LYS 20 HZ2 LYS 20 19.100 4.069 -11.368 26 HZ3 LYS 20 HZ3 LYS 20 19.758 5.022 -12.606 27 H GLN 21 HN GLN 21 25.042 5.077 -7.898 28 HE21 GLN 21 HE21 GLN 21 29.598 4.868 -8.059 29 HE22 GLN 21 HE22 GLN 21 30.448 4.732 -6.556 30 H ILE 22 HN ILE 22 26.212 6.054 -3.578 31 H LYS 23 HN LYS 23 23.022 8.677 -3.209 32 HZ1 LYS 23 HZ1 LYS 23 26.782 13.979 -2.030 33 HZ2 LYS 23 HZ2 LYS 23 27.176 15.512 -2.644 34 HZ3 LYS 23 HZ3 LYS 23 27.247 14.157 -3.658 35 H LEU 26 HN LEU 26 17.067 13.471 -2.442 36 H SER 28 HN SER 28 14.938 18.404 -2.254 37 HG SER 28 HG SER 28 14.684 21.068 -3.810 38 H VAL 29 HN VAL 29 13.200 16.506 -2.909 39 H ARG 30 HN ARG 30 12.035 13.230 -3.191 40 HE ARG 30 HE ARG 30 8.769 13.847 0.234 41 HH11 ARG 30 HH11 ARG 30 5.996 11.735 0.512 42 HH12 ARG 30 HH12 ARG 30 5.349 12.536 1.914 43 HH21 ARG 30 HH21 ARG 30 7.924 14.917 2.074 44 HH22 ARG 30 HH22 ARG 30 6.440 14.359 2.784 45 H LYS 31 HN LYS 31 14.198 12.187 -2.211 46 HZ1 LYS 31 HZ1 LYS 31 17.391 6.866 -6.209 47 HZ2 LYS 31 HZ2 LYS 31 17.337 8.539 -5.910 48 HZ3 LYS 31 HZ3 LYS 31 17.754 7.968 -7.444 49 H LEU 32 HN LEU 32 16.491 8.564 -2.612 50 H THR 33 HN THR 33 20.405 10.924 -3.275 51 HG1 THR 33 HG1 THR 33 20.486 13.053 -3.314 52 H GLU 34 HN GLU 34 21.723 11.235 -7.592 53 H ASP 35 HN ASP 35 25.456 9.823 -6.381 54 H ARG 36 HN ARG 36 27.384 10.770 -4.930 55 HE ARG 36 HE ARG 36 30.334 7.377 -4.473 56 HH11 ARG 36 HH11 ARG 36 33.614 6.826 -3.356 57 HH12 ARG 36 HH12 ARG 36 33.273 5.227 -2.773 58 HH21 ARG 36 HH21 ARG 36 29.899 5.287 -3.719 59 HH22 ARG 36 HH22 ARG 36 31.157 4.353 -2.972 60 H TRP 37 HN TRP 37 29.081 11.589 -3.346 61 HE1 TRP 37 HE1 TRP 37 28.671 6.984 1.876 62 H1 MET 1 HT1 MET 1 -9.074 -15.958 -8.590 63 H2 MET 1 HT2 MET 1 -8.922 -17.619 -8.898 64 H3 MET 1 HT3 MET 1 -7.648 -16.779 -8.175 65 H ASP 2 HN ASP 2 -8.485 -14.761 -6.990 66 H VAL 3 HN VAL 3 -8.457 -12.218 -3.998 67 H PHE 4 HN PHE 4 -6.332 -8.971 -5.549 68 H LEU 5 HN LEU 5 -7.182 -6.328 -2.249 69 H MET 6 HN MET 6 -7.140 -2.014 -3.340 70 H ILE 7 HN ILE 7 -8.144 -0.893 0.501 71 H ARG 8 HN ARG 8 -8.925 2.965 -1.226 72 HE ARG 8 HE ARG 8 -5.194 8.389 -0.481 73 HH11 ARG 8 HH11 ARG 8 -4.344 7.598 -3.791 74 HH12 ARG 8 HH12 ARG 8 -3.566 9.121 -4.086 75 HH21 ARG 8 HH21 ARG 8 -4.188 10.410 -0.879 76 HH22 ARG 8 HH22 ARG 8 -3.482 10.715 -2.433 77 H ARG 9 HN ARG 9 -8.763 4.975 2.347 78 HE ARG 9 HE ARG 9 -10.082 7.504 6.179 79 HH11 ARG 9 HH11 ARG 9 -12.633 9.673 5.159 80 HH12 ARG 9 HH12 ARG 9 -11.765 11.114 5.599 81 HH21 ARG 9 HH21 ARG 9 -8.942 9.386 6.765 82 HH22 ARG 9 HH22 ARG 9 -9.673 10.942 6.521 83 H HIS 10 HN HIS 10 -9.185 8.171 0.420 84 HE2 HIS 10 HE2 HIS 10 -6.578 14.583 0.776 85 H LYS 11 HN LYS 11 -7.269 9.657 3.730 86 HZ1 LYS 11 HZ1 LYS 11 -1.278 15.012 4.505 87 HZ2 LYS 11 HZ2 LYS 11 -1.016 13.816 5.674 88 HZ3 LYS 11 HZ3 LYS 11 -2.482 14.663 5.642 89 H THR 12 HN THR 12 -7.078 7.421 3.817 90 HG1 THR 12 HG1 THR 12 -7.330 7.133 7.410 91 H THR 13 HN THR 13 -4.678 4.280 4.392 92 HG1 THR 13 HG1 THR 13 -3.066 4.199 1.171 93 H ILE 14 HN ILE 14 -7.228 1.143 2.654 94 H PHE 15 HN PHE 15 -5.245 -2.399 4.135 95 H THR 16 HN THR 16 -6.940 -4.624 0.625 96 HG1 THR 16 HG1 THR 16 -8.741 -3.750 1.622 97 H ASP 17 HN ASP 17 -7.944 -8.395 2.345 98 H ALA 18 HN ALA 18 -8.994 -9.972 -1.321 99 H LYS 19 HN LYS 19 -12.575 -12.340 -1.982 100 HZ1 LYS 19 HZ1 LYS 19 -7.377 -14.512 -1.604 101 HZ2 LYS 19 HZ2 LYS 19 -7.802 -13.922 -0.067 102 HZ3 LYS 19 HZ3 LYS 19 -8.668 -13.429 -1.438 103 H GLU 20 HN GLU 20 -12.006 -14.185 -6.003 104 H SER 21 HN SER 21 -14.534 -14.859 -5.266 105 HG SER 21 HG SER 21 -15.324 -17.191 -3.511 106 H SER 22 HN SER 22 -15.413 -12.969 -3.846 107 HG SER 22 HG SER 22 -15.393 -13.128 -1.131 108 H THR 23 HN THR 23 -18.876 -10.613 -1.937 109 HG1 THR 23 HG1 THR 23 -20.522 -10.298 -1.383 110 H VAL 24 HN VAL 24 -19.804 -6.862 -4.388 111 H PHE 25 HN PHE 25 -21.051 -5.983 -2.241 112 H GLU 26 HN GLU 26 -19.900 -7.362 -0.268 113 H LEU 27 HN LEU 27 -17.595 -6.113 0.108 114 H LYS 28 HN LYS 28 -18.152 -3.873 1.360 115 HZ1 LYS 28 HZ1 LYS 28 -22.390 -0.242 -1.212 116 HZ2 LYS 28 HZ2 LYS 28 -21.536 0.860 -2.173 117 HZ3 LYS 28 HZ3 LYS 28 -21.967 1.283 -0.596 118 H ARG 29 HN ARG 29 -18.800 -4.898 3.608 119 HE ARG 29 HE ARG 29 -22.469 -6.617 7.031 120 HH11 ARG 29 HH11 ARG 29 -21.042 -9.740 6.359 121 HH12 ARG 29 HH12 ARG 29 -21.147 -10.290 8.000 122 HH21 ARG 29 HH21 ARG 29 -22.590 -7.333 9.208 123 HH22 ARG 29 HH22 ARG 29 -22.006 -8.912 9.625 124 H ILE 30 HN ILE 30 -16.616 -5.629 4.747 125 H VAL 31 HN VAL 31 -15.391 -3.385 5.096 126 H GLU 32 HN GLU 32 -16.990 -2.356 6.973 127 H GLY 33 HN GLY 33 -16.032 -3.613 9.063 128 H ILE 34 HN ILE 34 -14.237 -2.063 9.838 129 H LEU 35 HN LEU 35 -13.579 0.066 9.489 130 H LYS 36 HN LYS 36 -15.143 0.263 11.176 131 HZ1 LYS 36 HZ1 LYS 36 -12.123 -0.354 16.602 132 HZ2 LYS 36 HZ2 LYS 36 -12.763 -1.392 17.776 133 HZ3 LYS 36 HZ3 LYS 36 -13.166 0.251 17.787 134 H ARG 37 HN ARG 37 -17.481 1.563 10.092 135 HE ARG 37 HE ARG 37 -14.676 6.446 9.860 136 HH11 ARG 37 HH11 ARG 37 -17.028 8.727 8.644 137 HH12 ARG 37 HH12 ARG 37 -15.965 10.092 8.789 138 HH21 ARG 37 HH21 ARG 37 -13.284 8.242 10.080 139 HH22 ARG 37 HH22 ARG 37 -13.837 9.817 9.599 140 H ASP 40 HN ASP 40 -23.861 1.549 5.614 141 H GLU 41 HN GLU 41 -23.193 3.819 4.794 142 H GLN 42 HN GLN 42 -21.813 3.458 2.855 143 HE21 GLN 42 HE21 GLN 42 -18.904 2.109 6.409 144 HE22 GLN 42 HE22 GLN 42 -18.078 0.599 6.258 145 H ARG 43 HN ARG 43 -18.675 5.233 0.196 146 HE ARG 43 HE ARG 43 -23.591 7.290 -1.712 147 HH11 ARG 43 HH11 ARG 43 -22.728 4.152 -0.404 148 HH12 ARG 43 HH12 ARG 43 -24.003 4.165 0.778 149 HH21 ARG 43 HH21 ARG 43 -25.280 7.277 -0.169 150 HH22 ARG 43 HH22 ARG 43 -25.453 5.921 0.899 151 H LEU 44 HN LEU 44 -18.755 2.388 -2.924 152 H TYR 45 HN TYR 45 -14.826 3.681 -4.382 153 HH TYR 45 HH TYR 45 -19.748 9.040 -5.716 154 H LYS 46 HN LYS 46 -15.038 2.479 -8.568 155 HZ1 LYS 46 HZ1 LYS 46 -12.391 -2.287 -12.656 156 HZ2 LYS 46 HZ2 LYS 46 -10.755 -2.703 -12.640 157 HZ3 LYS 46 HZ3 LYS 46 -11.236 -1.151 -12.153 158 H ASP 47 HN ASP 47 -11.094 2.716 -10.224 159 H ASP 48 HN ASP 48 -12.372 4.980 -10.457 160 H GLN 49 HN GLN 49 -14.793 4.218 -10.996 161 HE21 GLN 49 HE21 GLN 49 -17.123 6.711 -13.259 162 HE22 GLN 49 HE22 GLN 49 -18.711 7.106 -13.825 163 H LEU 50 HN LEU 50 -19.139 4.576 -10.171 164 H LEU 51 HN LEU 51 -18.328 1.464 -6.985 165 H ASP 52 HN ASP 52 -20.200 -2.461 -8.565 166 H ASP 53 HN ASP 53 -23.589 -1.931 -5.812 167 H GLY 54 HN GLY 54 -24.690 -4.340 -6.209 168 H LYS 55 HN LYS 55 -22.670 -6.198 -6.366 169 HZ1 LYS 55 HZ1 LYS 55 -23.023 -3.984 -12.736 170 HZ2 LYS 55 HZ2 LYS 55 -24.272 -4.189 -11.613 171 HZ3 LYS 55 HZ3 LYS 55 -24.570 -4.414 -13.272 172 H THR 56 HN THR 56 -20.709 -9.599 -8.487 173 HG1 THR 56 HG1 THR 56 -20.005 -11.118 -9.112 174 H LEU 57 HN LEU 57 -16.772 -9.905 -6.191 175 H GLY 58 HN GLY 58 -15.770 -10.943 -8.510 176 H GLU 59 HN GLU 59 -17.520 -10.023 -10.374 177 H CYS 60 HN CYS 60 -16.621 -7.674 -10.536 178 HG CYS 60 HG CYS 60 -18.295 -6.636 -8.739 179 H GLY 61 HN GLY 61 -15.058 -7.406 -12.417 180 H PHE 62 HN PHE 62 -13.319 -7.500 -10.720 181 H THR 63 HN THR 63 -10.000 -8.145 -11.970 182 HG1 THR 63 HG1 THR 63 -8.294 -8.449 -13.217 183 H SER 64 HN SER 64 -7.938 -12.154 -11.057 184 HG SER 64 HG SER 64 -7.160 -13.150 -8.604 185 H GLN 65 HN GLN 65 -6.252 -11.185 -12.817 186 HE21 GLN 65 HE21 GLN 65 -5.819 -14.267 -14.529 187 HE22 GLN 65 HE22 GLN 65 -4.185 -14.819 -14.423 188 H THR 66 HN THR 66 -5.968 -8.640 -12.448 189 HG1 THR 66 HG1 THR 66 -7.972 -6.372 -13.520 190 H ALA 67 HN ALA 67 -6.046 -8.019 -10.392 191 H ARG 68 HN ARG 68 -2.664 -7.166 -8.427 192 HE ARG 68 HE ARG 68 -1.561 -8.566 -12.210 193 HH11 ARG 68 HH11 ARG 68 1.774 -7.499 -12.102 194 HH12 ARG 68 HH12 ARG 68 1.519 -6.204 -13.232 195 HH21 ARG 68 HH21 ARG 68 -1.898 -6.890 -13.678 196 HH22 ARG 68 HH22 ARG 68 -0.578 -5.853 -14.129 197 H GLN 70 HN GLN 70 1.184 -8.514 -6.330 198 HE21 GLN 70 HE21 GLN 70 4.590 -5.998 -7.915 199 HE22 GLN 70 HE22 GLN 70 3.977 -5.592 -9.476 200 H ALA 71 HN ALA 71 0.088 -6.672 -6.247 201 H ALA 73 HN ALA 73 -5.772 -4.505 -6.207 202 H THR 74 HN THR 74 -5.934 -0.158 -7.362 203 HG1 THR 74 HG1 THR 74 -4.559 2.405 -7.518 204 H VAL 75 HN VAL 75 -8.447 1.025 -3.824 205 H GLY 76 HN GLY 76 -11.730 3.563 -5.053 206 H LEU 77 HN LEU 77 -11.876 5.413 -0.906 207 H ALA 78 HN ALA 78 -15.869 6.033 -1.199 208 H PHE 79 HN PHE 79 -16.273 8.790 2.132 209 H ARG 80 HN ARG 80 -20.598 8.307 2.585 210 HE ARG 80 HE ARG 80 -24.933 9.349 2.187 211 HH11 ARG 80 HH11 ARG 80 -26.728 10.954 -0.367 212 HH12 ARG 80 HH12 ARG 80 -28.201 10.105 -0.027 213 HH21 ARG 80 HH21 ARG 80 -26.859 8.250 2.639 214 HH22 ARG 80 HH22 ARG 80 -28.281 8.578 1.689 215 H ALA 81 HN ALA 81 -20.399 12.219 4.170 216 H ASP 82 HN ASP 82 -23.355 13.265 7.291 217 H ASP 83 HN ASP 83 -23.041 17.614 5.881 218 H THR 84 HN THR 84 -20.690 16.630 5.744 219 HG1 THR 84 HG1 THR 84 -19.570 15.668 7.676 220 H PHE 85 HN PHE 85 -17.274 18.581 4.781 221 H GLU 86 HN GLU 86 -15.645 16.906 4.071 222 H ALA 87 HN ALA 87 -16.713 14.949 2.556 223 H LEU 88 HN LEU 88 -16.229 15.642 0.034 224 H CYS 89 HN CYS 89 -14.156 15.180 -0.667 225 HG CYS 89 HG CYS 89 -11.792 18.352 -1.314 226 H ILE 90 HN ILE 90 -13.371 13.086 -0.756 227 H GLU 91 HN GLU 91 -13.967 12.388 -3.015 228 H PHE 93 HN PHE 93 -15.262 10.544 -7.511 229 H SER 94 HN SER 94 -15.586 12.760 -7.662 230 HG SER 94 HG SER 94 -17.456 13.636 -5.842 231 H SER 95 HN SER 95 -14.013 13.987 -7.208 232 HG SER 95 HG SER 95 -13.636 16.115 -4.974 233 H GLU 98 HN GLU 98 -6.322 11.499 -5.337 234 H LEU 99 HN LEU 99 -2.885 13.873 -6.417 235 H ASP 101 HN ASP 101 2.146 17.142 -6.709 236 H VAL 102 HN VAL 102 4.763 16.627 -6.349 237 H MET 103 HN MET 103 5.039 14.133 -6.886 238 H LYS 104 HN LYS 104 5.869 13.417 -9.688 239 HZ1 LYS 104 HZ1 LYS 104 1.578 17.508 -13.719 240 HZ2 LYS 104 HZ2 LYS 104 0.093 17.208 -12.970 241 HZ3 LYS 104 HZ3 LYS 104 0.241 17.044 -14.646 242 H GLN 106 HN GLN 106 6.677 10.580 -13.407 243 HE21 GLN 106 HE21 GLN 106 9.200 11.511 -8.553 244 HE22 GLN 106 HE22 GLN 106 8.633 10.379 -7.377 245 H ASP 107 HN ASP 107 9.656 7.461 -13.147 246 H SER 108 HN SER 108 8.133 4.197 -15.823 247 HG SER 108 HG SER 108 5.958 4.993 -16.481 248 H GLY 109 HN GLY 109 5.970 2.010 -12.611 249 H SER 110 HN SER 110 6.792 -1.918 -11.497 250 HG SER 110 HG SER 110 8.189 -3.034 -13.305 251 H SER 111 HN SER 111 5.125 -2.303 -10.718 252 HG SER 111 HG SER 111 5.461 -2.765 -8.888 253 H ALA 112 HN ALA 112 0.669 -3.049 -9.986 254 H ASN 113 HN ASN 113 0.072 0.984 -11.832 255 HD21 ASN 113 HD21 ASN 113 0.275 4.454 -7.795 256 HD22 ASN 113 HD22 ASN 113 -0.557 5.908 -8.226 257 H GLU 114 HN GLU 114 2.359 0.994 -10.615 258 H GLN 115 HN GLN 115 5.312 3.727 -8.562 259 HE21 GLN 115 HE21 GLN 115 4.342 8.856 -10.707 260 HE22 GLN 115 HE22 GLN 115 3.681 9.668 -9.328 261 H ALA 116 HN ALA 116 8.111 5.185 -11.740 262 H VAL 117 HN VAL 117 10.962 5.986 -8.871 263 H GLN 118 HN GLN 118 12.862 9.496 -11.125 264 HE21 GLN 118 HE21 GLN 118 12.615 7.853 -15.365 265 HE22 GLN 118 HE22 GLN 118 11.068 8.277 -14.720 266 H1 VAL 1 HN VAL 1 -3.142 -4.828 12.408 267 H LYS 2 HN LYS 2 -1.829 -0.780 12.959 268 HZ1 LYS 2 HZ1 LYS 2 -4.557 6.095 13.918 269 HZ2 LYS 2 HZ2 LYS 2 -5.765 4.917 13.856 270 HZ3 LYS 2 HZ3 LYS 2 -5.412 5.845 12.477 271 H LEU 3 HN LEU 3 -0.583 0.773 9.240 272 H ILE 4 HN ILE 4 2.276 3.775 11.011 273 H SER 5 HN SER 5 1.634 6.848 8.109 274 HG SER 5 HG SER 5 2.661 5.666 6.624 275 H SER 6 HN SER 6 5.622 9.001 7.401 276 HG SER 6 HG SER 6 7.435 9.580 7.116 277 H ASP 7 HN ASP 7 3.858 10.629 6.240 278 H GLY 8 HN GLY 8 2.061 10.977 8.044 279 H HIS 9 HN HIS 9 0.646 9.452 6.931 280 HD1 HIS 9 HD1 HIS 9 -1.889 5.886 4.184 281 H GLU 10 HN GLU 10 -3.156 7.028 6.434 282 H PHE 11 HN PHE 11 -1.590 3.157 7.964 283 H ILE 12 HN ILE 12 -4.201 0.656 6.103 284 H VAL 13 HN VAL 13 -2.665 -2.675 8.407 285 H LYS 14 HN LYS 14 -3.768 -6.045 5.746 286 HZ1 LYS 14 HZ1 LYS 14 -9.202 -12.206 4.485 287 HZ2 LYS 14 HZ2 LYS 14 -7.552 -12.305 4.127 288 HZ3 LYS 14 HZ3 LYS 14 -8.534 -11.177 3.321 289 H ARG 15 HN ARG 15 -5.178 -8.295 9.444 290 HE ARG 15 HE ARG 15 -3.381 -12.005 14.814 291 HH11 ARG 15 HH11 ARG 15 -6.083 -13.189 12.944 292 HH12 ARG 15 HH12 ARG 15 -6.001 -14.795 13.590 293 HH21 ARG 15 HH21 ARG 15 -3.258 -14.123 15.671 294 HH22 ARG 15 HH22 ARG 15 -4.384 -15.330 15.140 295 H GLU 16 HN GLU 16 -4.786 -10.748 8.260 296 H HIS 17 HN HIS 17 -2.544 -10.599 6.520 297 HE2 HIS 17 HE2 HIS 17 -3.582 -11.600 1.524 298 H ALA 18 HN ALA 18 -1.003 -9.799 7.968 299 H LEU 19 HN LEU 19 -0.260 -11.805 9.536 300 H THR 20 HN THR 20 1.582 -13.415 8.210 301 HG1 THR 20 HG1 THR 20 2.015 -16.039 7.094 302 H SER 21 HN SER 21 3.319 -11.648 7.824 303 HG SER 21 HG SER 21 3.017 -10.002 6.488 304 H GLY 22 HN GLY 22 4.391 -11.573 10.151 305 H THR 23 HN THR 23 6.204 -13.189 10.086 306 HG1 THR 23 HG1 THR 23 5.317 -14.917 10.921 307 H ILE 24 HN ILE 24 8.216 -12.630 9.398 308 H LYS 25 HN LYS 25 12.799 -12.540 9.070 309 HZ1 LYS 25 HZ1 LYS 25 20.161 -10.775 12.606 310 HZ2 LYS 25 HZ2 LYS 25 19.790 -10.880 10.962 311 HZ3 LYS 25 HZ3 LYS 25 19.690 -12.254 11.940 312 H ALA 26 HN ALA 26 11.587 -9.621 11.453 313 H MET 27 HN MET 27 12.434 -5.205 10.980 314 H LEU 28 HN LEU 28 11.821 -6.338 13.898 315 H SER 29 HN SER 29 13.095 -6.341 16.076 316 HG SER 29 HG SER 29 13.119 -8.344 18.479 317 H GLY 30 HN GLY 30 13.555 -3.784 16.313 318 H GLY 32 HN GLY 32 13.285 1.307 21.156 319 H GLN 33 HN GLN 33 11.286 0.115 23.552 320 HE21 GLN 33 HE21 GLN 33 8.180 -4.154 27.617 321 HE22 GLN 33 HE22 GLN 33 6.574 -3.616 27.275 322 H PHE 34 HN PHE 34 9.359 -3.714 22.535 323 H ALA 35 HN ALA 35 6.140 -1.226 22.302 324 H GLU 36 HN GLU 36 2.143 -2.644 23.900 325 H ASN 37 HN ASN 37 1.636 -0.419 22.601 326 HD21 ASN 37 HD21 ASN 37 2.617 2.706 23.979 327 HD22 ASN 37 HD22 ASN 37 1.286 2.671 25.084 328 H GLU 38 HN GLU 38 3.272 0.092 20.591 329 H THR 39 HN THR 39 2.370 -1.871 19.210 330 HG1 THR 39 HG1 THR 39 3.433 -3.671 19.228 331 H ASN 40 HN ASN 40 0.005 -1.816 18.396 332 HD21 ASN 40 HD21 ASN 40 -2.976 -1.358 20.385 333 HD22 ASN 40 HD22 ASN 40 -3.706 -2.922 20.432 334 H GLU 41 HN GLU 41 0.045 0.453 17.151 335 H VAL 42 HN VAL 42 1.382 1.101 13.454 336 H ASN 43 HN ASN 43 4.449 3.595 15.007 337 HD21 ASN 43 HD21 ASN 43 3.426 8.236 13.921 338 HD22 ASN 43 HD22 ASN 43 4.749 9.322 13.681 339 H PHE 44 HN PHE 44 5.263 6.010 11.284 340 H ARG 45 HN ARG 45 9.582 6.576 11.661 341 HE ARG 45 HE ARG 45 8.177 9.629 15.790 342 HH11 ARG 45 HH11 ARG 45 7.099 11.908 13.364 343 HH12 ARG 45 HH12 ARG 45 5.734 12.445 14.290 344 HH21 ARG 45 HH21 ARG 45 6.387 10.330 17.015 345 HH22 ARG 45 HH22 ARG 45 5.334 11.553 16.378 346 H GLU 46 HN GLU 46 9.561 10.521 9.623 347 H ILE 47 HN ILE 47 9.104 8.681 7.837 348 H SER 49 HN SER 49 4.523 8.933 3.062 349 HG SER 49 HG SER 49 2.927 9.501 2.934 350 H HIS 50 HN HIS 50 4.710 8.146 0.441 351 HE2 HIS 50 HE2 HIS 50 3.762 7.732 -6.266 352 H VAL 51 HN VAL 51 7.142 6.578 -0.110 353 H LEU 52 HN LEU 52 6.495 4.821 1.555 354 H SER 53 HN SER 53 4.554 3.416 0.529 355 HG SER 53 HG SER 53 2.716 4.138 0.115 356 H LYS 54 HN LYS 54 5.763 1.748 -1.225 357 HZ1 LYS 54 HZ1 LYS 54 8.625 -1.196 -6.876 358 HZ2 LYS 54 HZ2 LYS 54 8.531 -2.157 -5.484 359 HZ3 LYS 54 HZ3 LYS 54 9.805 -2.371 -6.566 360 H VAL 55 HN VAL 55 6.932 0.090 0.362 361 H CYS 56 HN CYS 56 5.074 -1.143 1.653 362 HG CYS 56 HG CYS 56 4.115 0.120 3.106 363 H MET 57 HN MET 57 3.927 -2.527 -0.367 364 H TYR 58 HN TYR 58 5.843 -4.238 -0.817 365 HH TYR 58 HH TYR 58 13.127 -8.745 -1.651 366 H PHE 59 HN PHE 59 5.900 -5.842 1.280 367 H THR 60 HN THR 60 3.490 -7.029 1.155 368 HG1 THR 60 HG1 THR 60 1.805 -6.128 1.174 369 H TYR 61 HN TYR 61 3.911 -8.434 -1.132 370 HH TYR 61 HH TYR 61 7.208 -12.947 -7.647 371 H LYS 62 HN LYS 62 5.815 -10.154 -0.390 372 HZ1 LYS 62 HZ1 LYS 62 12.450 -12.410 -2.289 373 HZ2 LYS 62 HZ2 LYS 62 11.897 -10.858 -1.902 374 HZ3 LYS 62 HZ3 LYS 62 10.979 -11.860 -2.922 375 H VAL 63 HN VAL 63 4.399 -11.672 1.290 376 H ARG 64 HN ARG 64 2.858 -13.251 -0.237 377 HE ARG 64 HE ARG 64 -2.344 -13.473 0.324 378 HH11 ARG 64 HH11 ARG 64 -2.114 -16.076 -2.003 379 HH12 ARG 64 HH12 ARG 64 -3.787 -15.983 -2.471 380 HH21 ARG 64 HH21 ARG 64 -4.552 -13.341 -0.279 381 HH22 ARG 64 HH22 ARG 64 -5.161 -14.435 -1.500 382 H TYR 65 HN TYR 65 4.402 -14.256 -1.653 383 HH TYR 65 HH TYR 65 10.916 -15.378 -6.946 384 H THR 66 HN THR 66 6.277 -15.914 -0.245 385 HG1 THR 66 HG1 THR 66 7.503 -15.398 1.202 386 H ASN 67 HN ASN 67 4.863 -18.928 -1.007 387 HD21 ASN 67 HD21 ASN 67 2.290 -17.165 2.876 388 HD22 ASN 67 HD22 ASN 67 1.753 -18.228 4.134 389 H SER 68 HN SER 68 2.695 -18.824 -1.808 390 HG SER 68 HG SER 68 -0.150 -19.682 -1.170 391 H SER 69 HN SER 69 2.927 -18.120 -3.484 392 HG SER 69 HG SER 69 1.473 -16.985 -5.722 393 H THR 70 HN THR 70 4.876 -20.166 -4.678 394 HG1 THR 70 HG1 THR 70 6.092 -21.812 -2.488 395 H GLU 71 HN GLU 71 5.447 -20.506 -6.998 396 H ILE 72 HN ILE 72 6.211 -18.773 -8.309 397 H GLU 74 HN GLU 74 11.603 -14.276 -9.452 398 H PHE 75 HN PHE 75 10.457 -10.860 -6.614 399 H ILE 77 HN ILE 77 12.895 -7.930 -12.127 400 H ALA 78 HN ALA 78 12.133 -4.671 -11.966 401 H GLU 80 HN GLU 80 14.280 0.639 -11.134 402 H ILE 81 HN ILE 81 13.618 0.315 -7.586 403 H ALA 82 HN ALA 82 15.029 -0.254 -5.996 404 H LEU 83 HN LEU 83 17.096 0.260 -4.723 405 H GLU 84 HN GLU 84 16.478 2.399 -3.582 406 H LEU 85 HN LEU 85 15.116 1.714 -1.435 407 H LEU 86 HN LEU 86 16.666 0.569 -0.165 408 H MET 87 HN MET 87 18.011 2.470 0.983 409 H ALA 88 HN ALA 88 17.106 2.618 3.538 410 H ALA 89 HN ALA 89 18.401 1.085 5.348 411 H ASN 90 HN ASN 90 18.239 1.944 8.807 412 HD21 ASN 90 HD21 ASN 90 15.635 1.108 12.772 413 HD22 ASN 90 HD22 ASN 90 16.458 0.960 14.285 414 H PHE 91 HN PHE 91 16.800 -0.324 8.218 Start of MODEL 15 1 H1 GLY 6 HT1 GLY 6 18.982 -4.056 7.558 2 H2 GLY 6 HT2 GLY 6 18.688 -3.595 9.156 3 H3 GLY 6 HT3 GLY 6 17.408 -3.669 8.046 4 H SER 7 HN SER 7 15.578 -5.899 8.921 5 HG SER 7 HG SER 7 13.649 -5.010 8.556 6 H LEU 8 HN LEU 8 14.081 -4.629 6.563 7 H GLN 9 HN GLN 9 16.382 -4.015 5.494 8 HE21 GLN 9 HE21 GLN 9 22.185 -1.716 4.654 9 HE22 GLN 9 HE22 GLN 9 22.759 -1.932 6.269 10 H TYR 10 HN TYR 10 17.495 -6.332 4.495 11 HH TYR 10 HH TYR 10 19.432 -14.113 1.445 12 H LEU 11 HN LEU 11 15.723 -7.133 3.057 13 H ALA 12 HN ALA 12 15.869 -5.350 1.041 14 H LEU 13 HN LEU 13 17.951 -5.974 -0.506 15 H ALA 14 HN ALA 14 16.898 -7.944 -1.498 16 H ALA 15 HN ALA 15 15.803 -7.220 -3.498 17 H LEU 16 HN LEU 16 16.176 -5.887 -4.916 18 H ILE 17 HN ILE 17 18.469 -6.192 -8.166 19 H LYS 18 HN LYS 18 20.191 -3.103 -6.377 20 HZ1 LYS 18 HZ1 LYS 18 17.781 4.061 -8.067 21 HZ2 LYS 18 HZ2 LYS 18 17.971 4.329 -6.400 22 HZ3 LYS 18 HZ3 LYS 18 17.077 2.999 -6.949 23 H LYS 20 HN LYS 20 23.141 0.935 -7.758 24 HZ1 LYS 20 HZ1 LYS 20 21.606 5.665 -13.258 25 HZ2 LYS 20 HZ2 LYS 20 22.694 4.635 -12.483 26 HZ3 LYS 20 HZ3 LYS 20 22.204 6.074 -11.723 27 H GLN 21 HN GLN 21 24.567 5.191 -8.187 28 HE21 GLN 21 HE21 GLN 21 29.642 4.720 -7.719 29 HE22 GLN 21 HE22 GLN 21 30.080 4.465 -6.066 30 H ILE 22 HN ILE 22 26.385 6.455 -4.183 31 H LYS 23 HN LYS 23 23.024 8.544 -2.144 32 HZ1 LYS 23 HZ1 LYS 23 27.239 13.242 -1.666 33 HZ2 LYS 23 HZ2 LYS 23 28.018 14.684 -2.102 34 HZ3 LYS 23 HZ3 LYS 23 27.843 13.445 -3.243 35 H LEU 26 HN LEU 26 16.984 13.451 -2.467 36 H SER 28 HN SER 28 14.493 17.965 -2.396 37 HG SER 28 HG SER 28 14.965 18.290 -5.323 38 H VAL 29 HN VAL 29 12.928 16.145 -3.286 39 H ARG 30 HN ARG 30 11.534 12.697 -3.638 40 HE ARG 30 HE ARG 30 7.966 13.057 -0.377 41 HH11 ARG 30 HH11 ARG 30 5.521 10.557 -0.546 42 HH12 ARG 30 HH12 ARG 30 4.656 11.135 0.846 43 HH21 ARG 30 HH21 ARG 30 6.784 13.844 1.428 44 HH22 ARG 30 HH22 ARG 30 5.348 13.004 1.952 45 H LYS 31 HN LYS 31 13.831 11.921 -2.618 46 HZ1 LYS 31 HZ1 LYS 31 17.361 6.838 -5.998 47 HZ2 LYS 31 HZ2 LYS 31 17.621 8.515 -6.049 48 HZ3 LYS 31 HZ3 LYS 31 18.178 7.535 -7.308 49 H LEU 32 HN LEU 32 16.455 8.474 -2.927 50 H THR 33 HN THR 33 20.210 11.133 -3.145 51 HG1 THR 33 HG1 THR 33 20.482 13.309 -3.119 52 H GLU 34 HN GLU 34 21.892 11.433 -7.360 53 H ASP 35 HN ASP 35 25.604 9.747 -6.231 54 H ARG 36 HN ARG 36 27.515 10.386 -4.769 55 HE ARG 36 HE ARG 36 30.442 7.374 -3.641 56 HH11 ARG 36 HH11 ARG 36 33.261 5.614 -4.750 57 HH12 ARG 36 HH12 ARG 36 32.663 4.082 -4.199 58 HH21 ARG 36 HH21 ARG 36 29.668 5.371 -2.929 59 HH22 ARG 36 HH22 ARG 36 30.634 3.945 -3.156 60 H TRP 37 HN TRP 37 29.133 11.047 -3.169 61 HE1 TRP 37 HE1 TRP 37 29.324 8.380 3.722 62 H1 MET 1 HT1 MET 1 -9.212 -15.403 -9.296 63 H2 MET 1 HT2 MET 1 -8.523 -16.953 -9.336 64 H3 MET 1 HT3 MET 1 -7.741 -15.704 -8.512 65 H ASP 2 HN ASP 2 -7.202 -15.558 -6.687 66 H VAL 3 HN VAL 3 -8.522 -12.144 -3.960 67 H PHE 4 HN PHE 4 -6.601 -8.800 -5.682 68 H LEU 5 HN LEU 5 -7.253 -6.162 -2.382 69 H MET 6 HN MET 6 -7.307 -1.833 -3.441 70 H ILE 7 HN ILE 7 -8.275 -0.870 0.356 71 H ARG 8 HN ARG 8 -9.098 3.074 -1.212 72 HE ARG 8 HE ARG 8 -5.009 8.281 -0.355 73 HH11 ARG 8 HH11 ARG 8 -3.650 7.049 -3.333 74 HH12 ARG 8 HH12 ARG 8 -2.806 8.517 -3.703 75 HH21 ARG 8 HH21 ARG 8 -3.887 10.207 -0.828 76 HH22 ARG 8 HH22 ARG 8 -2.938 10.318 -2.274 77 H ARG 9 HN ARG 9 -8.867 5.247 2.317 78 HE ARG 9 HE ARG 9 -10.076 7.873 5.994 79 HH11 ARG 9 HH11 ARG 9 -12.668 10.120 5.253 80 HH12 ARG 9 HH12 ARG 9 -11.780 11.529 5.756 81 HH21 ARG 9 HH21 ARG 9 -8.917 9.713 6.703 82 HH22 ARG 9 HH22 ARG 9 -9.650 11.281 6.607 83 H HIS 10 HN HIS 10 -9.216 8.350 0.246 84 HE2 HIS 10 HE2 HIS 10 -6.197 14.598 0.398 85 H LYS 11 HN LYS 11 -7.279 9.662 3.516 86 HZ1 LYS 11 HZ1 LYS 11 -1.151 14.900 4.216 87 HZ2 LYS 11 HZ2 LYS 11 -1.169 13.762 5.466 88 HZ3 LYS 11 HZ3 LYS 11 -2.440 14.864 5.308 89 H THR 12 HN THR 12 -7.269 7.780 4.180 90 HG1 THR 12 HG1 THR 12 -7.636 7.681 6.956 91 H THR 13 HN THR 13 -4.849 4.290 4.610 92 HG1 THR 13 HG1 THR 13 -4.358 5.054 2.689 93 H ILE 14 HN ILE 14 -7.268 1.259 2.627 94 H PHE 15 HN PHE 15 -5.139 -2.255 3.899 95 H THR 16 HN THR 16 -7.012 -4.352 0.453 96 HG1 THR 16 HG1 THR 16 -8.789 -3.603 1.616 97 H ASP 17 HN ASP 17 -7.811 -8.148 2.231 98 H ALA 18 HN ALA 18 -8.945 -9.754 -1.357 99 H LYS 19 HN LYS 19 -12.494 -12.223 -1.863 100 HZ1 LYS 19 HZ1 LYS 19 -8.420 -13.223 -1.124 101 HZ2 LYS 19 HZ2 LYS 19 -7.345 -14.531 -1.177 102 HZ3 LYS 19 HZ3 LYS 19 -7.658 -13.744 0.298 103 H GLU 20 HN GLU 20 -11.878 -14.186 -5.803 104 H SER 21 HN SER 21 -14.382 -14.881 -5.047 105 HG SER 21 HG SER 21 -15.007 -17.112 -3.223 106 H SER 22 HN SER 22 -15.444 -12.986 -3.823 107 HG SER 22 HG SER 22 -15.851 -13.243 -0.897 108 H THR 23 HN THR 23 -19.023 -10.722 -2.063 109 HG1 THR 23 HG1 THR 23 -20.761 -10.284 -1.485 110 H VAL 24 HN VAL 24 -19.862 -6.917 -4.441 111 H PHE 25 HN PHE 25 -21.071 -6.171 -2.227 112 H GLU 26 HN GLU 26 -19.887 -7.530 -0.312 113 H LEU 27 HN LEU 27 -17.701 -6.125 0.075 114 H LYS 28 HN LYS 28 -18.156 -3.816 1.233 115 HZ1 LYS 28 HZ1 LYS 28 -22.148 -0.440 -1.434 116 HZ2 LYS 28 HZ2 LYS 28 -21.589 1.012 -2.107 117 HZ3 LYS 28 HZ3 LYS 28 -22.357 1.024 -0.602 118 H ARG 29 HN ARG 29 -18.808 -4.860 3.560 119 HE ARG 29 HE ARG 29 -21.397 -8.007 6.882 120 HH11 ARG 29 HH11 ARG 29 -21.860 -10.134 4.133 121 HH12 ARG 29 HH12 ARG 29 -22.011 -11.564 5.107 122 HH21 ARG 29 HH21 ARG 29 -21.625 -9.882 8.152 123 HH22 ARG 29 HH22 ARG 29 -21.884 -11.422 7.388 124 H ILE 30 HN ILE 30 -16.526 -5.404 4.670 125 H VAL 31 HN VAL 31 -15.254 -3.219 5.024 126 H GLU 32 HN GLU 32 -16.896 -2.239 6.835 127 H GLY 33 HN GLY 33 -16.170 -3.478 9.181 128 H ILE 34 HN ILE 34 -14.116 -2.155 9.675 129 H LEU 35 HN LEU 35 -13.690 0.194 9.539 130 H LYS 36 HN LYS 36 -15.140 0.446 11.451 131 HZ1 LYS 36 HZ1 LYS 36 -13.891 -0.356 17.672 132 HZ2 LYS 36 HZ2 LYS 36 -12.357 -0.940 17.271 133 HZ3 LYS 36 HZ3 LYS 36 -13.621 -1.066 16.161 134 H ARG 37 HN ARG 37 -17.282 1.772 10.453 135 HE ARG 37 HE ARG 37 -14.330 6.230 10.388 136 HH11 ARG 37 HH11 ARG 37 -16.738 8.735 9.974 137 HH12 ARG 37 HH12 ARG 37 -15.748 9.974 10.677 138 HH21 ARG 37 HH21 ARG 37 -13.046 7.841 11.339 139 HH22 ARG 37 HH22 ARG 37 -13.648 9.467 11.457 140 H ASP 40 HN ASP 40 -23.761 1.555 5.627 141 H GLU 41 HN GLU 41 -23.064 3.909 4.918 142 H GLN 42 HN GLN 42 -21.706 3.685 2.882 143 HE21 GLN 42 HE21 GLN 42 -18.932 2.202 6.357 144 HE22 GLN 42 HE22 GLN 42 -18.015 0.748 6.171 145 H ARG 43 HN ARG 43 -18.647 5.540 0.195 146 HE ARG 43 HE ARG 43 -23.260 8.145 -1.355 147 HH11 ARG 43 HH11 ARG 43 -22.827 4.896 -0.126 148 HH12 ARG 43 HH12 ARG 43 -23.980 5.084 1.161 149 HH21 ARG 43 HH21 ARG 43 -24.738 8.419 0.362 150 HH22 ARG 43 HH22 ARG 43 -25.039 7.112 1.470 151 H LEU 44 HN LEU 44 -18.941 2.720 -3.015 152 H TYR 45 HN TYR 45 -15.011 3.905 -4.442 153 HH TYR 45 HH TYR 45 -19.943 9.150 -5.548 154 H LYS 46 HN LYS 46 -15.082 2.756 -8.652 155 HZ1 LYS 46 HZ1 LYS 46 -10.200 -0.438 -11.736 156 HZ2 LYS 46 HZ2 LYS 46 -9.534 -1.996 -11.781 157 HZ3 LYS 46 HZ3 LYS 46 -9.660 -1.173 -10.309 158 H ASP 47 HN ASP 47 -11.210 2.956 -10.328 159 H ASP 48 HN ASP 48 -12.459 5.224 -10.923 160 H GLN 49 HN GLN 49 -14.933 4.281 -11.190 161 HE21 GLN 49 HE21 GLN 49 -18.201 6.295 -13.781 162 HE22 GLN 49 HE22 GLN 49 -19.922 6.321 -13.580 163 H LEU 50 HN LEU 50 -19.344 4.205 -10.607 164 H LEU 51 HN LEU 51 -18.587 1.558 -7.013 165 H ASP 52 HN ASP 52 -20.272 -2.519 -8.373 166 H ASP 53 HN ASP 53 -23.349 -2.278 -5.389 167 H GLY 54 HN GLY 54 -24.439 -4.568 -6.167 168 H LYS 55 HN LYS 55 -22.694 -6.452 -6.527 169 HZ1 LYS 55 HZ1 LYS 55 -23.434 -4.185 -12.482 170 HZ2 LYS 55 HZ2 LYS 55 -24.429 -4.669 -11.197 171 HZ3 LYS 55 HZ3 LYS 55 -25.039 -4.635 -12.780 172 H THR 56 HN THR 56 -20.720 -9.903 -8.527 173 HG1 THR 56 HG1 THR 56 -19.852 -11.393 -9.161 174 H LEU 57 HN LEU 57 -16.774 -9.931 -6.223 175 H GLY 58 HN GLY 58 -15.731 -10.960 -8.559 176 H GLU 59 HN GLU 59 -17.427 -9.924 -10.429 177 H CYS 60 HN CYS 60 -16.547 -7.662 -10.601 178 HG CYS 60 HG CYS 60 -18.306 -6.806 -8.833 179 H GLY 61 HN GLY 61 -14.976 -7.289 -12.318 180 H PHE 62 HN PHE 62 -13.344 -7.248 -10.595 181 H THR 63 HN THR 63 -10.158 -8.243 -11.820 182 HG1 THR 63 HG1 THR 63 -9.838 -8.972 -14.400 183 H SER 64 HN SER 64 -8.310 -12.346 -10.910 184 HG SER 64 HG SER 64 -7.250 -13.172 -8.381 185 H GLN 65 HN GLN 65 -6.725 -11.185 -12.733 186 HE21 GLN 65 HE21 GLN 65 -3.791 -13.287 -14.167 187 HE22 GLN 65 HE22 GLN 65 -2.363 -13.204 -15.136 188 H THR 66 HN THR 66 -6.459 -8.724 -12.656 189 HG1 THR 66 HG1 THR 66 -8.150 -7.308 -13.513 190 H ALA 67 HN ALA 67 -6.427 -8.034 -10.498 191 H ARG 68 HN ARG 68 -2.939 -7.066 -8.615 192 HE ARG 68 HE ARG 68 -1.929 -7.755 -12.970 193 HH11 ARG 68 HH11 ARG 68 1.394 -6.658 -12.835 194 HH12 ARG 68 HH12 ARG 68 1.395 -6.037 -14.455 195 HH21 ARG 68 HH21 ARG 68 -1.945 -6.919 -15.099 196 HH22 ARG 68 HH22 ARG 68 -0.508 -6.191 -15.747 197 H GLN 70 HN GLN 70 0.936 -8.610 -6.635 198 HE21 GLN 70 HE21 GLN 70 5.234 -9.174 -7.575 199 HE22 GLN 70 HE22 GLN 70 5.996 -9.169 -9.124 200 H ALA 71 HN ALA 71 -0.014 -6.736 -6.392 201 H ALA 73 HN ALA 73 -5.808 -4.395 -6.174 202 H THR 74 HN THR 74 -5.746 -0.083 -7.192 203 HG1 THR 74 HG1 THR 74 -4.402 2.485 -7.285 204 H VAL 75 HN VAL 75 -8.441 1.244 -3.794 205 H GLY 76 HN GLY 76 -11.718 3.724 -5.175 206 H LEU 77 HN LEU 77 -11.737 5.387 -1.035 207 H ALA 78 HN ALA 78 -15.892 6.103 -1.124 208 H PHE 79 HN PHE 79 -15.974 8.683 2.209 209 H ARG 80 HN ARG 80 -20.317 8.454 2.817 210 HE ARG 80 HE ARG 80 -24.832 10.100 2.898 211 HH11 ARG 80 HH11 ARG 80 -26.344 11.476 0.044 212 HH12 ARG 80 HH12 ARG 80 -27.934 10.928 0.474 213 HH21 ARG 80 HH21 ARG 80 -26.893 9.369 3.446 214 HH22 ARG 80 HH22 ARG 80 -28.250 9.721 2.415 215 H ALA 81 HN ALA 81 -19.972 12.439 4.396 216 H ASP 82 HN ASP 82 -23.058 13.281 7.351 217 H ASP 83 HN ASP 83 -23.117 17.703 6.049 218 H THR 84 HN THR 84 -20.597 16.749 6.294 219 HG1 THR 84 HG1 THR 84 -19.592 16.210 8.086 220 H PHE 85 HN PHE 85 -17.788 18.789 4.413 221 H GLU 86 HN GLU 86 -16.305 16.538 3.939 222 H ALA 87 HN ALA 87 -16.899 14.581 2.383 223 H LEU 88 HN LEU 88 -16.993 15.411 -0.147 224 H CYS 89 HN CYS 89 -14.589 15.763 -0.753 225 HG CYS 89 HG CYS 89 -13.744 18.382 -1.056 226 H ILE 90 HN ILE 90 -13.563 13.514 -0.910 227 H GLU 91 HN GLU 91 -14.608 12.260 -2.625 228 H PHE 93 HN PHE 93 -15.359 10.525 -7.656 229 H SER 94 HN SER 94 -15.827 12.932 -7.586 230 HG SER 94 HG SER 94 -15.873 14.614 -5.402 231 H SER 95 HN SER 95 -13.847 13.958 -7.273 232 HG SER 95 HG SER 95 -13.518 15.654 -5.011 233 H GLU 98 HN GLU 98 -6.517 11.766 -4.776 234 H LEU 99 HN LEU 99 -2.920 13.725 -6.345 235 H ASP 101 HN ASP 101 2.204 16.672 -6.197 236 H VAL 102 HN VAL 102 4.854 16.618 -6.315 237 H MET 103 HN MET 103 5.152 14.196 -7.000 238 H LYS 104 HN LYS 104 5.938 13.519 -9.878 239 HZ1 LYS 104 HZ1 LYS 104 0.818 14.690 -15.098 240 HZ2 LYS 104 HZ2 LYS 104 1.835 15.393 -13.943 241 HZ3 LYS 104 HZ3 LYS 104 0.355 16.116 -14.315 242 H GLN 106 HN GLN 106 6.632 10.689 -13.501 243 HE21 GLN 106 HE21 GLN 106 9.249 11.632 -8.845 244 HE22 GLN 106 HE22 GLN 106 8.832 10.505 -7.602 245 H ASP 107 HN ASP 107 9.484 7.389 -13.460 246 H SER 108 HN SER 108 7.561 4.192 -15.940 247 HG SER 108 HG SER 108 5.217 4.755 -16.012 248 H GLY 109 HN GLY 109 5.782 2.025 -12.383 249 H SER 110 HN SER 110 7.284 -1.720 -10.971 250 HG SER 110 HG SER 110 7.184 -3.164 -9.921 251 H SER 111 HN SER 111 5.309 -2.263 -10.120 252 HG SER 111 HG SER 111 3.775 -4.117 -7.175 253 H ALA 112 HN ALA 112 0.777 -2.929 -9.989 254 H ASN 113 HN ASN 113 0.155 1.121 -11.894 255 HD21 ASN 113 HD21 ASN 113 0.220 4.944 -9.477 256 HD22 ASN 113 HD22 ASN 113 -1.112 6.052 -9.512 257 H GLU 114 HN GLU 114 2.254 1.075 -10.319 258 H GLN 115 HN GLN 115 5.435 3.788 -8.427 259 HE21 GLN 115 HE21 GLN 115 3.875 8.655 -10.641 260 HE22 GLN 115 HE22 GLN 115 3.541 9.692 -9.297 261 H ALA 116 HN ALA 116 8.098 5.363 -11.650 262 H VAL 117 HN VAL 117 11.131 6.166 -8.962 263 H GLN 118 HN GLN 118 12.957 9.546 -11.438 264 HE21 GLN 118 HE21 GLN 118 13.476 6.447 -15.213 265 HE22 GLN 118 HE22 GLN 118 11.814 6.607 -14.773 266 H1 VAL 1 HN VAL 1 -3.052 -5.103 11.934 267 H LYS 2 HN LYS 2 -1.908 -0.946 12.766 268 HZ1 LYS 2 HZ1 LYS 2 -4.262 5.399 14.588 269 HZ2 LYS 2 HZ2 LYS 2 -5.558 4.851 13.646 270 HZ3 LYS 2 HZ3 LYS 2 -4.494 6.014 13.018 271 H LEU 3 HN LEU 3 -0.608 0.748 9.080 272 H ILE 4 HN ILE 4 1.813 3.723 11.061 273 H SER 5 HN SER 5 1.630 6.841 7.961 274 HG SER 5 HG SER 5 1.747 6.852 5.981 275 H SER 6 HN SER 6 5.617 8.936 7.428 276 HG SER 6 HG SER 6 6.926 9.577 9.144 277 H ASP 7 HN ASP 7 3.645 10.236 6.263 278 H GLY 8 HN GLY 8 1.850 10.792 7.614 279 H HIS 9 HN HIS 9 0.486 9.540 6.104 280 HD1 HIS 9 HD1 HIS 9 -1.777 6.036 2.728 281 H GLU 10 HN GLU 10 -3.132 6.994 6.464 282 H PHE 11 HN PHE 11 -1.141 3.232 7.434 283 H ILE 12 HN ILE 12 -4.172 0.504 5.831 284 H VAL 13 HN VAL 13 -2.767 -2.941 8.094 285 H LYS 14 HN LYS 14 -3.707 -6.356 5.310 286 HZ1 LYS 14 HZ1 LYS 14 -8.177 -13.270 4.013 287 HZ2 LYS 14 HZ2 LYS 14 -6.524 -13.434 4.329 288 HZ3 LYS 14 HZ3 LYS 14 -7.050 -12.508 3.002 289 H ARG 15 HN ARG 15 -5.355 -8.520 8.983 290 HE ARG 15 HE ARG 15 -3.580 -10.777 15.020 291 HH11 ARG 15 HH11 ARG 15 -6.019 -12.908 13.685 292 HH12 ARG 15 HH12 ARG 15 -5.705 -14.188 14.816 293 HH21 ARG 15 HH21 ARG 15 -3.169 -12.462 16.518 294 HH22 ARG 15 HH22 ARG 15 -4.093 -13.931 16.426 295 H GLU 16 HN GLU 16 -4.601 -11.113 8.245 296 H HIS 17 HN HIS 17 -2.522 -10.920 6.260 297 HE2 HIS 17 HE2 HIS 17 -3.581 -11.584 1.445 298 H ALA 18 HN ALA 18 -0.915 -9.612 7.787 299 H LEU 19 HN LEU 19 -0.142 -11.383 9.579 300 H THR 20 HN THR 20 1.458 -13.329 8.347 301 HG1 THR 20 HG1 THR 20 1.655 -15.949 7.055 302 H SER 21 HN SER 21 3.440 -11.616 7.624 303 HG SER 21 HG SER 21 3.279 -10.024 6.163 304 H GLY 22 HN GLY 22 4.411 -10.928 9.978 305 H THR 23 HN THR 23 5.954 -12.978 10.292 306 HG1 THR 23 HG1 THR 23 4.677 -14.548 10.895 307 H ILE 24 HN ILE 24 8.181 -12.679 9.726 308 H LYS 25 HN LYS 25 12.741 -12.925 9.477 309 HZ1 LYS 25 HZ1 LYS 25 20.169 -10.348 12.207 310 HZ2 LYS 25 HZ2 LYS 25 19.764 -11.327 10.888 311 HZ3 LYS 25 HZ3 LYS 25 19.639 -11.932 12.462 312 H ALA 26 HN ALA 26 11.606 -9.840 11.869 313 H MET 27 HN MET 27 12.372 -5.446 11.077 314 H LEU 28 HN LEU 28 11.837 -6.530 14.151 315 H SER 29 HN SER 29 13.155 -6.246 16.232 316 HG SER 29 HG SER 29 15.287 -8.062 17.073 317 H GLY 30 HN GLY 30 13.512 -3.732 16.359 318 H GLY 32 HN GLY 32 13.339 1.143 21.344 319 H GLN 33 HN GLN 33 11.512 0.062 23.872 320 HE21 GLN 33 HE21 GLN 33 8.150 -4.560 27.267 321 HE22 GLN 33 HE22 GLN 33 7.827 -3.650 28.702 322 H PHE 34 HN PHE 34 9.547 -3.168 22.021 323 H ALA 35 HN ALA 35 6.132 -0.685 22.292 324 H GLU 36 HN GLU 36 2.560 -3.318 23.619 325 H ASN 37 HN ASN 37 0.893 -1.350 22.659 326 HD21 ASN 37 HD21 ASN 37 -2.753 1.300 21.734 327 HD22 ASN 37 HD22 ASN 37 -3.425 0.769 23.239 328 H GLU 38 HN GLU 38 2.400 -0.200 20.872 329 H THR 39 HN THR 39 2.522 -1.960 19.113 330 HG1 THR 39 HG1 THR 39 3.994 -3.234 18.963 331 H ASN 40 HN ASN 40 0.321 -2.022 18.009 332 HD21 ASN 40 HD21 ASN 40 -1.372 -3.295 19.485 333 HD22 ASN 40 HD22 ASN 40 -2.388 -4.694 19.426 334 H GLU 41 HN GLU 41 0.016 0.114 16.873 335 H VAL 42 HN VAL 42 1.422 0.884 13.555 336 H ASN 43 HN ASN 43 4.269 3.899 15.129 337 HD21 ASN 43 HD21 ASN 43 2.126 7.996 14.035 338 HD22 ASN 43 HD22 ASN 43 2.990 9.456 13.712 339 H PHE 44 HN PHE 44 4.863 5.835 11.328 340 H ARG 45 HN ARG 45 8.919 7.189 12.225 341 HE ARG 45 HE ARG 45 6.856 10.457 16.281 342 HH11 ARG 45 HH11 ARG 45 9.036 13.034 15.359 343 HH12 ARG 45 HH12 ARG 45 8.062 14.284 16.066 344 HH21 ARG 45 HH21 ARG 45 5.590 12.100 17.239 345 HH22 ARG 45 HH22 ARG 45 6.114 13.752 17.149 346 H GLU 46 HN GLU 46 9.232 10.944 9.782 347 H ILE 47 HN ILE 47 8.974 9.272 7.911 348 H SER 49 HN SER 49 4.865 9.135 2.779 349 HG SER 49 HG SER 49 3.262 9.701 2.092 350 H HIS 50 HN HIS 50 5.233 8.045 0.404 351 HE2 HIS 50 HE2 HIS 50 3.808 8.115 -5.841 352 H VAL 51 HN VAL 51 7.653 6.280 0.127 353 H LEU 52 HN LEU 52 6.763 4.566 1.916 354 H SER 53 HN SER 53 4.732 3.358 0.765 355 HG SER 53 HG SER 53 2.991 4.205 0.297 356 H LYS 54 HN LYS 54 5.883 1.647 -0.997 357 HZ1 LYS 54 HZ1 LYS 54 8.004 -1.437 -6.505 358 HZ2 LYS 54 HZ2 LYS 54 8.373 -2.601 -5.333 359 HZ3 LYS 54 HZ3 LYS 54 9.284 -2.519 -6.753 360 H VAL 55 HN VAL 55 6.962 -0.029 0.590 361 H CYS 56 HN CYS 56 4.985 -1.321 1.887 362 HG CYS 56 HG CYS 56 3.274 -1.609 4.881 363 H MET 57 HN MET 57 3.989 -2.614 -0.282 364 H TYR 58 HN TYR 58 5.938 -4.319 -0.889 365 HH TYR 58 HH TYR 58 12.838 -9.153 -2.643 366 H PHE 59 HN PHE 59 5.963 -5.932 1.210 367 H THR 60 HN THR 60 3.549 -7.131 1.093 368 HG1 THR 60 HG1 THR 60 1.810 -6.268 1.179 369 H TYR 61 HN TYR 61 3.899 -8.517 -1.237 370 HH TYR 61 HH TYR 61 6.953 -13.106 -7.817 371 H LYS 62 HN LYS 62 5.812 -10.177 -0.477 372 HZ1 LYS 62 HZ1 LYS 62 12.605 -12.750 -1.967 373 HZ2 LYS 62 HZ2 LYS 62 11.999 -11.175 -1.847 374 HZ3 LYS 62 HZ3 LYS 62 11.167 -12.335 -2.761 375 H VAL 63 HN VAL 63 4.515 -11.747 1.258 376 H ARG 64 HN ARG 64 2.778 -13.194 -0.255 377 HE ARG 64 HE ARG 64 -2.264 -13.350 0.045 378 HH11 ARG 64 HH11 ARG 64 -2.156 -15.864 -2.376 379 HH12 ARG 64 HH12 ARG 64 -3.866 -15.820 -2.698 380 HH21 ARG 64 HH21 ARG 64 -4.535 -13.272 -0.366 381 HH22 ARG 64 HH22 ARG 64 -5.211 -14.360 -1.556 382 H TYR 65 HN TYR 65 4.431 -14.285 -1.880 383 HH TYR 65 HH TYR 65 11.967 -17.548 -3.937 384 H THR 66 HN THR 66 6.000 -15.988 -0.303 385 HG1 THR 66 HG1 THR 66 7.460 -15.423 0.910 386 H ASN 67 HN ASN 67 4.426 -18.453 -0.882 387 HD21 ASN 67 HD21 ASN 67 -0.325 -18.196 0.971 388 HD22 ASN 67 HD22 ASN 67 -0.889 -19.420 2.051 389 H SER 68 HN SER 68 2.524 -18.830 -1.853 390 HG SER 68 HG SER 68 -0.607 -19.689 -1.425 391 H SER 69 HN SER 69 2.572 -18.112 -3.554 392 HG SER 69 HG SER 69 1.087 -16.359 -5.741 393 H THR 70 HN THR 70 4.653 -20.142 -4.894 394 HG1 THR 70 HG1 THR 70 6.037 -19.894 -2.767 395 H GLU 71 HN GLU 71 5.139 -20.692 -7.002 396 H ILE 72 HN ILE 72 5.862 -18.827 -8.452 397 H GLU 74 HN GLU 74 11.399 -14.466 -9.388 398 H PHE 75 HN PHE 75 10.334 -11.026 -6.559 399 H ILE 77 HN ILE 77 13.307 -7.774 -11.827 400 H ALA 78 HN ALA 78 12.096 -4.830 -11.943 401 H GLU 80 HN GLU 80 13.760 1.281 -10.962 402 H ILE 81 HN ILE 81 12.972 1.391 -8.324 403 H ALA 82 HN ALA 82 15.330 1.266 -5.197 404 H LEU 83 HN LEU 83 16.936 0.731 -4.619 405 H GLU 84 HN GLU 84 16.392 2.639 -3.199 406 H LEU 85 HN LEU 85 15.278 1.737 -1.059 407 H LEU 86 HN LEU 86 16.966 0.592 0.116 408 H MET 87 HN MET 87 18.248 2.470 1.212 409 H ALA 88 HN ALA 88 17.324 2.732 3.748 410 H ALA 89 HN ALA 89 18.770 1.258 5.303 411 H ASN 90 HN ASN 90 18.640 1.525 9.084 412 HD21 ASN 90 HD21 ASN 90 16.878 1.250 13.719 413 HD22 ASN 90 HD22 ASN 90 17.650 0.032 14.677 414 H PHE 91 HN PHE 91 17.050 -0.940 8.031 Start of MODEL 16 1 H1 GLY 6 HT1 GLY 6 19.331 -3.498 8.114 2 H2 GLY 6 HT2 GLY 6 18.692 -3.162 9.642 3 H3 GLY 6 HT3 GLY 6 17.663 -3.247 8.297 4 H SER 7 HN SER 7 15.835 -5.475 8.952 5 HG SER 7 HG SER 7 13.861 -4.646 8.478 6 H LEU 8 HN LEU 8 14.869 -4.069 6.568 7 H GLN 9 HN GLN 9 17.369 -3.958 5.350 8 HE21 GLN 9 HE21 GLN 9 22.258 -1.772 5.102 9 HE22 GLN 9 HE22 GLN 9 22.961 -2.048 6.660 10 H TYR 10 HN TYR 10 17.794 -6.388 4.327 11 HH TYR 10 HH TYR 10 17.782 -14.468 1.530 12 H LEU 11 HN LEU 11 15.857 -7.000 3.095 13 H ALA 12 HN ALA 12 15.884 -5.183 1.049 14 H LEU 13 HN LEU 13 17.933 -5.936 -0.534 15 H ALA 14 HN ALA 14 16.881 -8.070 -1.427 16 H ALA 15 HN ALA 15 15.669 -7.241 -3.389 17 H LEU 16 HN LEU 16 16.166 -5.937 -4.945 18 H ILE 17 HN ILE 17 18.562 -5.951 -8.320 19 H LYS 18 HN LYS 18 20.598 -2.883 -6.420 20 HZ1 LYS 18 HZ1 LYS 18 17.997 4.230 -6.545 21 HZ2 LYS 18 HZ2 LYS 18 17.144 2.905 -7.160 22 HZ3 LYS 18 HZ3 LYS 18 17.831 4.033 -8.219 23 H LYS 20 HN LYS 20 24.181 1.017 -7.069 24 HZ1 LYS 20 HZ1 LYS 20 22.466 5.018 -13.454 25 HZ2 LYS 20 HZ2 LYS 20 23.678 4.376 -12.472 26 HZ3 LYS 20 HZ3 LYS 20 22.672 5.604 -11.878 27 H GLN 21 HN GLN 21 25.419 5.154 -7.952 28 HE21 GLN 21 HE21 GLN 21 29.817 4.714 -7.981 29 HE22 GLN 21 HE22 GLN 21 30.537 4.321 -6.461 30 H ILE 22 HN ILE 22 26.074 5.967 -3.491 31 H LYS 23 HN LYS 23 23.061 8.802 -3.486 32 HZ1 LYS 23 HZ1 LYS 23 27.121 13.761 -2.099 33 HZ2 LYS 23 HZ2 LYS 23 27.660 15.267 -2.672 34 HZ3 LYS 23 HZ3 LYS 23 27.666 13.923 -3.702 35 H LEU 26 HN LEU 26 17.149 13.718 -2.640 36 H SER 28 HN SER 28 14.532 18.011 -2.432 37 HG SER 28 HG SER 28 15.266 19.410 -4.432 38 H VAL 29 HN VAL 29 12.919 16.153 -3.180 39 H ARG 30 HN ARG 30 11.699 12.796 -3.511 40 HE ARG 30 HE ARG 30 8.026 13.110 -0.369 41 HH11 ARG 30 HH11 ARG 30 5.585 10.600 -0.518 42 HH12 ARG 30 HH12 ARG 30 4.709 11.195 0.858 43 HH21 ARG 30 HH21 ARG 30 6.834 13.912 1.419 44 HH22 ARG 30 HH22 ARG 30 5.394 13.079 1.945 45 H LYS 31 HN LYS 31 13.816 11.993 -2.720 46 HZ1 LYS 31 HZ1 LYS 31 17.209 6.918 -6.228 47 HZ2 LYS 31 HZ2 LYS 31 17.594 8.569 -6.348 48 HZ3 LYS 31 HZ3 LYS 31 17.977 7.515 -7.618 49 H LEU 32 HN LEU 32 16.381 8.502 -2.966 50 H THR 33 HN THR 33 20.220 11.023 -3.358 51 HG1 THR 33 HG1 THR 33 20.574 13.326 -3.400 52 H GLU 34 HN GLU 34 21.822 11.261 -7.596 53 H ASP 35 HN ASP 35 25.634 9.524 -6.518 54 H ARG 36 HN ARG 36 27.524 10.743 -4.818 55 HE ARG 36 HE ARG 36 30.534 7.060 -4.249 56 HH11 ARG 36 HH11 ARG 36 34.018 6.745 -4.187 57 HH12 ARG 36 HH12 ARG 36 33.987 5.011 -4.134 58 HH21 ARG 36 HH21 ARG 36 30.492 4.783 -4.182 59 HH22 ARG 36 HH22 ARG 36 31.980 3.889 -4.140 60 H TRP 37 HN TRP 37 29.360 11.567 -3.170 61 HE1 TRP 37 HE1 TRP 37 29.692 7.685 2.846 62 H1 MET 1 HT1 MET 1 -9.178 -15.450 -9.077 63 H2 MET 1 HT2 MET 1 -8.843 -17.100 -9.283 64 H3 MET 1 HT3 MET 1 -7.775 -16.128 -8.408 65 H ASP 2 HN ASP 2 -7.329 -15.674 -6.543 66 H VAL 3 HN VAL 3 -8.494 -12.057 -3.988 67 H PHE 4 HN PHE 4 -6.287 -9.014 -5.523 68 H LEU 5 HN LEU 5 -7.437 -6.370 -2.342 69 H MET 6 HN MET 6 -7.192 -2.037 -3.449 70 H ILE 7 HN ILE 7 -8.195 -0.844 0.370 71 H ARG 8 HN ARG 8 -9.204 3.093 -1.323 72 HE ARG 8 HE ARG 8 -4.882 8.196 -0.367 73 HH11 ARG 8 HH11 ARG 8 -4.629 7.794 -3.843 74 HH12 ARG 8 HH12 ARG 8 -3.858 9.333 -4.088 75 HH21 ARG 8 HH21 ARG 8 -3.881 10.217 -0.688 76 HH22 ARG 8 HH22 ARG 8 -3.423 10.709 -2.286 77 H ARG 9 HN ARG 9 -8.643 5.399 2.147 78 HE ARG 9 HE ARG 9 -10.170 7.453 6.166 79 HH11 ARG 9 HH11 ARG 9 -12.494 9.873 5.197 80 HH12 ARG 9 HH12 ARG 9 -11.538 11.215 5.748 81 HH21 ARG 9 HH21 ARG 9 -8.918 9.197 6.940 82 HH22 ARG 9 HH22 ARG 9 -9.520 10.819 6.783 83 H HIS 10 HN HIS 10 -8.934 8.325 0.265 84 HE2 HIS 10 HE2 HIS 10 -5.826 14.446 0.231 85 H LYS 11 HN LYS 11 -7.221 9.976 3.651 86 HZ1 LYS 11 HZ1 LYS 11 -1.482 14.546 3.394 87 HZ2 LYS 11 HZ2 LYS 11 -1.137 13.343 4.531 88 HZ3 LYS 11 HZ3 LYS 11 -2.568 14.241 4.653 89 H THR 12 HN THR 12 -7.247 7.931 4.403 90 HG1 THR 12 HG1 THR 12 -7.518 7.302 7.419 91 H THR 13 HN THR 13 -5.040 4.112 4.931 92 HG1 THR 13 HG1 THR 13 -4.176 4.928 3.285 93 H ILE 14 HN ILE 14 -7.188 1.211 2.559 94 H PHE 15 HN PHE 15 -5.207 -2.313 3.975 95 H THR 16 HN THR 16 -7.102 -4.427 0.602 96 HG1 THR 16 HG1 THR 16 -8.800 -3.647 1.797 97 H ASP 17 HN ASP 17 -7.635 -8.235 2.323 98 H ALA 18 HN ALA 18 -8.945 -9.688 -1.381 99 H LYS 19 HN LYS 19 -12.568 -12.085 -1.952 100 HZ1 LYS 19 HZ1 LYS 19 -7.846 -13.859 0.139 101 HZ2 LYS 19 HZ2 LYS 19 -7.677 -15.079 -1.032 102 HZ3 LYS 19 HZ3 LYS 19 -7.640 -15.473 0.616 103 H GLU 20 HN GLU 20 -11.925 -14.122 -5.857 104 H SER 21 HN SER 21 -14.370 -14.861 -5.179 105 HG SER 21 HG SER 21 -15.181 -17.086 -5.991 106 H SER 22 HN SER 22 -15.462 -12.818 -4.076 107 HG SER 22 HG SER 22 -15.298 -13.322 -1.412 108 H THR 23 HN THR 23 -18.953 -10.940 -1.805 109 HG1 THR 23 HG1 THR 23 -20.460 -10.654 -1.114 110 H VAL 24 HN VAL 24 -20.087 -7.157 -4.174 111 H PHE 25 HN PHE 25 -21.287 -6.302 -1.973 112 H GLU 26 HN GLU 26 -20.001 -7.587 -0.009 113 H LEU 27 HN LEU 27 -17.754 -6.236 0.246 114 H LYS 28 HN LYS 28 -18.304 -3.900 1.323 115 HZ1 LYS 28 HZ1 LYS 28 -22.562 -0.793 -1.584 116 HZ2 LYS 28 HZ2 LYS 28 -21.905 0.557 -2.369 117 HZ3 LYS 28 HZ3 LYS 28 -22.564 0.722 -0.821 118 H ARG 29 HN ARG 29 -18.961 -4.806 3.665 119 HE ARG 29 HE ARG 29 -20.773 -7.880 7.394 120 HH11 ARG 29 HH11 ARG 29 -22.062 -10.093 5.009 121 HH12 ARG 29 HH12 ARG 29 -21.741 -11.506 5.963 122 HH21 ARG 29 HH21 ARG 29 -20.330 -9.729 8.640 123 HH22 ARG 29 HH22 ARG 29 -20.771 -11.296 8.043 124 H ILE 30 HN ILE 30 -16.703 -5.485 4.784 125 H VAL 31 HN VAL 31 -15.485 -3.218 5.102 126 H GLU 32 HN GLU 32 -17.034 -2.158 6.969 127 H GLY 33 HN GLY 33 -16.230 -3.439 9.118 128 H ILE 34 HN ILE 34 -14.034 -2.359 9.674 129 H LEU 35 HN LEU 35 -13.506 0.100 9.504 130 H LYS 36 HN LYS 36 -15.255 0.396 11.122 131 HZ1 LYS 36 HZ1 LYS 36 -14.045 0.736 18.454 132 HZ2 LYS 36 HZ2 LYS 36 -14.619 -0.824 18.773 133 HZ3 LYS 36 HZ3 LYS 36 -15.709 0.445 18.533 134 H ARG 37 HN ARG 37 -17.006 1.989 9.937 135 HE ARG 37 HE ARG 37 -15.578 5.886 12.050 136 HH11 ARG 37 HH11 ARG 37 -17.372 8.657 10.844 137 HH12 ARG 37 HH12 ARG 37 -16.485 9.795 11.803 138 HH21 ARG 37 HH21 ARG 37 -14.424 7.396 13.304 139 HH22 ARG 37 HH22 ARG 37 -14.805 9.086 13.184 140 H ASP 40 HN ASP 40 -23.874 1.629 5.596 141 H GLU 41 HN GLU 41 -23.141 4.011 4.863 142 H GLN 42 HN GLN 42 -21.807 3.546 2.842 143 HE21 GLN 42 HE21 GLN 42 -18.729 1.646 6.209 144 HE22 GLN 42 HE22 GLN 42 -17.900 0.171 5.854 145 H ARG 43 HN ARG 43 -18.601 5.241 0.234 146 HE ARG 43 HE ARG 43 -23.774 6.858 -2.266 147 HH11 ARG 43 HH11 ARG 43 -22.602 4.077 -0.476 148 HH12 ARG 43 HH12 ARG 43 -24.006 3.999 0.549 149 HH21 ARG 43 HH21 ARG 43 -25.628 6.716 -0.954 150 HH22 ARG 43 HH22 ARG 43 -25.735 5.472 0.255 151 H LEU 44 HN LEU 44 -18.795 2.503 -2.910 152 H TYR 45 HN TYR 45 -14.841 3.651 -4.520 153 HH TYR 45 HH TYR 45 -19.703 8.975 -5.245 154 H LYS 46 HN LYS 46 -15.194 2.399 -8.633 155 HZ1 LYS 46 HZ1 LYS 46 -11.068 -1.100 -12.767 156 HZ2 LYS 46 HZ2 LYS 46 -10.547 -2.685 -12.466 157 HZ3 LYS 46 HZ3 LYS 46 -10.585 -1.561 -11.209 158 H ASP 47 HN ASP 47 -11.151 2.602 -10.056 159 H ASP 48 HN ASP 48 -12.200 5.110 -10.443 160 H GLN 49 HN GLN 49 -14.684 4.262 -11.206 161 HE21 GLN 49 HE21 GLN 49 -16.731 6.749 -13.376 162 HE22 GLN 49 HE22 GLN 49 -18.192 7.265 -14.150 163 H LEU 50 HN LEU 50 -19.081 4.689 -10.453 164 H LEU 51 HN LEU 51 -18.510 1.756 -7.020 165 H ASP 52 HN ASP 52 -20.115 -2.404 -7.975 166 H ASP 53 HN ASP 53 -23.719 -3.951 -6.209 167 H GLY 54 HN GLY 54 -25.031 -5.265 -5.447 168 H LYS 55 HN LYS 55 -23.513 -6.513 -6.776 169 HZ1 LYS 55 HZ1 LYS 55 -25.975 -4.986 -11.867 170 HZ2 LYS 55 HZ2 LYS 55 -24.896 -4.684 -10.594 171 HZ3 LYS 55 HZ3 LYS 55 -25.886 -6.060 -10.566 172 H THR 56 HN THR 56 -20.893 -10.011 -8.234 173 HG1 THR 56 HG1 THR 56 -20.199 -11.537 -8.747 174 H LEU 57 HN LEU 57 -16.842 -10.035 -6.152 175 H GLY 58 HN GLY 58 -16.084 -11.155 -8.421 176 H GLU 59 HN GLU 59 -17.661 -9.894 -10.154 177 H CYS 60 HN CYS 60 -16.658 -7.909 -10.662 178 HG CYS 60 HG CYS 60 -18.481 -6.920 -8.769 179 H GLY 61 HN GLY 61 -15.438 -7.344 -12.881 180 H PHE 62 HN PHE 62 -13.526 -7.856 -11.175 181 H THR 63 HN THR 63 -9.506 -8.517 -11.482 182 HG1 THR 63 HG1 THR 63 -9.759 -9.371 -13.822 183 H SER 64 HN SER 64 -7.695 -12.536 -11.242 184 HG SER 64 HG SER 64 -6.867 -13.390 -8.670 185 H GLN 65 HN GLN 65 -6.424 -10.575 -12.490 186 HE21 GLN 65 HE21 GLN 65 -4.545 -13.920 -14.931 187 HE22 GLN 65 HE22 GLN 65 -2.821 -13.848 -15.049 188 H THR 66 HN THR 66 -6.512 -8.457 -12.493 189 HG1 THR 66 HG1 THR 66 -8.583 -6.959 -13.425 190 H ALA 67 HN ALA 67 -6.243 -8.064 -10.256 191 H ARG 68 HN ARG 68 -2.860 -7.116 -8.005 192 HE ARG 68 HE ARG 68 -1.227 -10.436 -12.721 193 HH11 ARG 68 HH11 ARG 68 0.041 -7.185 -12.867 194 HH12 ARG 68 HH12 ARG 68 -0.148 -7.043 -14.584 195 HH21 ARG 68 HH21 ARG 68 -1.511 -10.254 -14.997 196 HH22 ARG 68 HH22 ARG 68 -1.030 -8.788 -15.792 197 H GLN 70 HN GLN 70 1.441 -8.675 -6.336 198 HE21 GLN 70 HE21 GLN 70 4.676 -6.612 -8.871 199 HE22 GLN 70 HE22 GLN 70 3.285 -6.541 -9.890 200 H ALA 71 HN ALA 71 0.077 -6.773 -6.256 201 H ALA 73 HN ALA 73 -5.634 -4.503 -6.389 202 H THR 74 HN THR 74 -5.837 -0.098 -7.304 203 HG1 THR 74 HG1 THR 74 -4.396 0.756 -5.924 204 H VAL 75 HN VAL 75 -8.551 0.976 -3.883 205 H GLY 76 HN GLY 76 -11.679 3.646 -5.303 206 H LEU 77 HN LEU 77 -11.906 5.541 -1.165 207 H ALA 78 HN ALA 78 -15.942 6.197 -1.279 208 H PHE 79 HN PHE 79 -16.228 8.964 2.103 209 H ARG 80 HN ARG 80 -20.517 8.262 2.823 210 HE ARG 80 HE ARG 80 -25.216 9.047 3.005 211 HH11 ARG 80 HH11 ARG 80 -26.468 9.641 -0.213 212 HH12 ARG 80 HH12 ARG 80 -27.620 8.344 -0.145 213 HH21 ARG 80 HH21 ARG 80 -26.743 7.333 3.094 214 HH22 ARG 80 HH22 ARG 80 -27.788 7.048 1.727 215 H ALA 81 HN ALA 81 -19.731 11.816 4.253 216 H ASP 82 HN ASP 82 -22.314 12.874 7.832 217 H ASP 83 HN ASP 83 -23.309 16.921 6.036 218 H THR 84 HN THR 84 -20.637 16.538 5.811 219 HG1 THR 84 HG1 THR 84 -19.416 16.117 7.872 220 H PHE 85 HN PHE 85 -17.238 18.846 4.724 221 H GLU 86 HN GLU 86 -15.735 16.935 4.108 222 H ALA 87 HN ALA 87 -16.635 14.946 2.653 223 H LEU 88 HN LEU 88 -16.771 15.650 0.008 224 H CYS 89 HN CYS 89 -14.343 15.484 -0.524 225 HG CYS 89 HG CYS 89 -13.883 17.642 0.103 226 H ILE 90 HN ILE 90 -13.539 13.312 -0.819 227 H GLU 91 HN GLU 91 -14.547 12.154 -2.460 228 H PHE 93 HN PHE 93 -15.314 10.696 -7.373 229 H SER 94 HN SER 94 -16.107 12.973 -7.412 230 HG SER 94 HG SER 94 -15.945 14.771 -5.384 231 H SER 95 HN SER 95 -14.017 13.939 -7.345 232 HG SER 95 HG SER 95 -13.602 15.796 -5.018 233 H GLU 98 HN GLU 98 -6.714 11.675 -5.262 234 H LEU 99 HN LEU 99 -2.968 13.789 -6.468 235 H ASP 101 HN ASP 101 2.067 16.603 -5.671 236 H VAL 102 HN VAL 102 4.752 16.457 -5.815 237 H MET 103 HN MET 103 5.026 14.146 -6.673 238 H LYS 104 HN LYS 104 6.032 13.470 -9.758 239 HZ1 LYS 104 HZ1 LYS 104 0.737 17.145 -13.622 240 HZ2 LYS 104 HZ2 LYS 104 -0.641 16.360 -13.048 241 HZ3 LYS 104 HZ3 LYS 104 -0.317 16.386 -14.704 242 H GLN 106 HN GLN 106 6.695 10.751 -13.364 243 HE21 GLN 106 HE21 GLN 106 9.405 11.705 -8.707 244 HE22 GLN 106 HE22 GLN 106 8.705 10.739 -7.456 245 H ASP 107 HN ASP 107 9.529 7.399 -13.359 246 H SER 108 HN SER 108 7.491 4.238 -15.841 247 HG SER 108 HG SER 108 5.235 4.997 -16.130 248 H GLY 109 HN GLY 109 5.892 1.971 -12.373 249 H SER 110 HN SER 110 7.027 -1.962 -11.445 250 HG SER 110 HG SER 110 7.005 -3.444 -10.471 251 H SER 111 HN SER 111 5.082 -2.594 -10.434 252 HG SER 111 HG SER 111 3.775 -4.328 -7.508 253 H ALA 112 HN ALA 112 0.525 -2.816 -10.034 254 H ASN 113 HN ASN 113 0.192 1.435 -11.480 255 HD21 ASN 113 HD21 ASN 113 0.406 4.421 -7.046 256 HD22 ASN 113 HD22 ASN 113 -0.540 5.844 -7.312 257 H GLU 114 HN GLU 114 2.401 1.234 -10.353 258 H GLN 115 HN GLN 115 5.376 3.848 -8.352 259 HE21 GLN 115 HE21 GLN 115 4.263 8.843 -10.650 260 HE22 GLN 115 HE22 GLN 115 3.703 9.785 -9.308 261 H ALA 116 HN ALA 116 8.073 5.419 -11.609 262 H VAL 117 HN VAL 117 11.030 6.285 -8.946 263 H GLN 118 HN GLN 118 12.678 9.528 -11.623 264 HE21 GLN 118 HE21 GLN 118 12.548 7.306 -15.601 265 HE22 GLN 118 HE22 GLN 118 10.975 7.768 -15.056 266 H1 VAL 1 HN VAL 1 -3.129 -5.014 12.153 267 H LYS 2 HN LYS 2 -1.841 -0.860 12.712 268 HZ1 LYS 2 HZ1 LYS 2 -5.075 5.561 13.514 269 HZ2 LYS 2 HZ2 LYS 2 -6.189 4.485 12.841 270 HZ3 LYS 2 HZ3 LYS 2 -5.508 5.709 11.881 271 H LEU 3 HN LEU 3 -0.489 0.872 8.999 272 H ILE 4 HN ILE 4 1.875 3.971 11.007 273 H SER 5 HN SER 5 1.782 6.677 7.688 274 HG SER 5 HG SER 5 2.007 6.525 5.681 275 H SER 6 HN SER 6 5.628 9.024 7.179 276 HG SER 6 HG SER 6 6.930 9.684 8.902 277 H ASP 7 HN ASP 7 3.598 10.272 6.070 278 H GLY 8 HN GLY 8 1.823 10.756 7.457 279 H HIS 9 HN HIS 9 0.486 9.336 6.035 280 HD1 HIS 9 HD1 HIS 9 -2.099 5.921 2.802 281 H GLU 10 HN GLU 10 -3.222 6.848 6.284 282 H PHE 11 HN PHE 11 -1.141 3.242 7.531 283 H ILE 12 HN ILE 12 -4.074 0.637 5.964 284 H VAL 13 HN VAL 13 -2.674 -2.856 8.200 285 H LYS 14 HN LYS 14 -3.822 -6.152 5.463 286 HZ1 LYS 14 HZ1 LYS 14 -9.731 -11.821 4.254 287 HZ2 LYS 14 HZ2 LYS 14 -8.112 -12.315 4.258 288 HZ3 LYS 14 HZ3 LYS 14 -8.657 -11.181 3.116 289 H ARG 15 HN ARG 15 -5.292 -8.608 9.047 290 HE ARG 15 HE ARG 15 -2.687 -11.440 14.321 291 HH11 ARG 15 HH11 ARG 15 -6.109 -11.803 14.980 292 HH12 ARG 15 HH12 ARG 15 -5.857 -12.637 16.480 293 HH21 ARG 15 HH21 ARG 15 -2.361 -12.517 16.296 294 HH22 ARG 15 HH22 ARG 15 -3.730 -13.016 17.245 295 H GLU 16 HN GLU 16 -4.753 -10.984 7.754 296 H HIS 17 HN HIS 17 -2.426 -10.701 6.287 297 HE2 HIS 17 HE2 HIS 17 -3.602 -11.513 1.338 298 H ALA 18 HN ALA 18 -1.084 -9.924 7.734 299 H LEU 19 HN LEU 19 -0.263 -11.796 9.340 300 H THR 20 HN THR 20 1.702 -13.393 8.115 301 HG1 THR 20 HG1 THR 20 2.624 -15.999 6.874 302 H SER 21 HN SER 21 3.408 -11.420 7.731 303 HG SER 21 HG SER 21 3.090 -9.848 6.541 304 H GLY 22 HN GLY 22 4.237 -10.846 10.270 305 H THR 23 HN THR 23 5.852 -12.782 10.464 306 HG1 THR 23 HG1 THR 23 4.727 -14.554 11.085 307 H ILE 24 HN ILE 24 7.927 -12.665 9.397 308 H LYS 25 HN LYS 25 12.536 -12.649 9.004 309 HZ1 LYS 25 HZ1 LYS 25 20.200 -10.949 11.741 310 HZ2 LYS 25 HZ2 LYS 25 19.785 -11.024 10.104 311 HZ3 LYS 25 HZ3 LYS 25 19.523 -12.359 11.104 312 H ALA 26 HN ALA 26 11.676 -9.585 11.538 313 H MET 27 HN MET 27 12.561 -5.216 10.825 314 H LEU 28 HN LEU 28 11.666 -6.317 13.807 315 H SER 29 HN SER 29 12.809 -6.002 15.915 316 HG SER 29 HG SER 29 13.330 -8.781 18.446 317 H GLY 30 HN GLY 30 13.174 -3.631 16.359 318 H GLY 32 HN GLY 32 13.547 1.193 21.617 319 H GLN 33 HN GLN 33 11.405 0.252 23.334 320 HE21 GLN 33 HE21 GLN 33 7.067 -2.188 27.817 321 HE22 GLN 33 HE22 GLN 33 6.274 -0.665 28.032 322 H PHE 34 HN PHE 34 9.521 -3.390 22.772 323 H ALA 35 HN ALA 35 6.073 -1.193 22.373 324 H GLU 36 HN GLU 36 2.200 -3.026 23.880 325 H ASN 37 HN ASN 37 1.729 -0.810 22.561 326 HD21 ASN 37 HD21 ASN 37 2.980 3.521 21.338 327 HD22 ASN 37 HD22 ASN 37 1.841 4.719 20.835 328 H GLU 38 HN GLU 38 3.094 0.072 20.330 329 H THR 39 HN THR 39 2.405 -2.069 19.039 330 HG1 THR 39 HG1 THR 39 2.823 -5.218 19.635 331 H ASN 40 HN ASN 40 0.079 -1.410 17.991 332 HD21 ASN 40 HD21 ASN 40 -1.884 -2.668 19.606 333 HD22 ASN 40 HD22 ASN 40 -3.322 -3.632 19.697 334 H GLU 41 HN GLU 41 -0.367 0.676 17.014 335 H VAL 42 HN VAL 42 1.246 1.383 13.408 336 H ASN 43 HN ASN 43 4.472 3.864 15.226 337 HD21 ASN 43 HD21 ASN 43 2.499 7.918 15.250 338 HD22 ASN 43 HD22 ASN 43 3.186 9.463 14.887 339 H PHE 44 HN PHE 44 4.770 6.000 11.550 340 H ARG 45 HN ARG 45 8.907 7.202 11.862 341 HE ARG 45 HE ARG 45 6.695 9.708 15.555 342 HH11 ARG 45 HH11 ARG 45 9.157 11.965 16.625 343 HH12 ARG 45 HH12 ARG 45 8.313 12.394 18.078 344 HH21 ARG 45 HH21 ARG 45 5.593 10.270 17.480 345 HH22 ARG 45 HH22 ARG 45 6.293 11.421 18.570 346 H GLU 46 HN GLU 46 9.416 10.949 9.430 347 H ILE 47 HN ILE 47 9.012 9.153 7.689 348 H SER 49 HN SER 49 4.837 9.177 2.659 349 HG SER 49 HG SER 49 3.282 9.814 1.954 350 H HIS 50 HN HIS 50 5.024 8.064 0.189 351 HE2 HIS 50 HE2 HIS 50 3.521 7.841 -6.048 352 H VAL 51 HN VAL 51 7.514 6.361 -0.115 353 H LEU 52 HN LEU 52 6.751 4.665 1.799 354 H SER 53 HN SER 53 4.730 3.386 0.704 355 HG SER 53 HG SER 53 2.963 4.183 0.358 356 H LYS 54 HN LYS 54 5.829 1.765 -1.091 357 HZ1 LYS 54 HZ1 LYS 54 8.282 -1.512 -6.653 358 HZ2 LYS 54 HZ2 LYS 54 8.459 -2.375 -5.207 359 HZ3 LYS 54 HZ3 LYS 54 9.569 -2.599 -6.460 360 H VAL 55 HN VAL 55 7.059 0.077 0.434 361 H CYS 56 HN CYS 56 5.137 -1.288 1.737 362 HG CYS 56 HG CYS 56 4.089 -0.089 3.232 363 H MET 57 HN MET 57 4.145 -2.595 -0.392 364 H TYR 58 HN TYR 58 6.075 -4.330 -1.070 365 HH TYR 58 HH TYR 58 12.755 -9.405 -2.988 366 H PHE 59 HN PHE 59 6.144 -5.872 1.018 367 H THR 60 HN THR 60 3.719 -7.113 1.058 368 HG1 THR 60 HG1 THR 60 1.943 -6.228 1.129 369 H TYR 61 HN TYR 61 4.077 -8.552 -1.192 370 HH TYR 61 HH TYR 61 7.273 -13.252 -7.587 371 H LYS 62 HN LYS 62 5.981 -10.259 -0.462 372 HZ1 LYS 62 HZ1 LYS 62 12.642 -12.959 -2.351 373 HZ2 LYS 62 HZ2 LYS 62 12.069 -11.376 -2.165 374 HZ3 LYS 62 HZ3 LYS 62 11.173 -12.503 -3.060 375 H VAL 63 HN VAL 63 4.652 -11.709 1.242 376 H ARG 64 HN ARG 64 2.875 -13.217 -0.142 377 HE ARG 64 HE ARG 64 -2.362 -13.579 -0.079 378 HH11 ARG 64 HH11 ARG 64 -2.436 -16.227 -2.362 379 HH12 ARG 64 HH12 ARG 64 -4.164 -16.165 -2.577 380 HH21 ARG 64 HH21 ARG 64 -4.631 -13.475 -0.362 381 HH22 ARG 64 HH22 ARG 64 -5.407 -14.607 -1.444 382 H TYR 65 HN TYR 65 4.478 -14.384 -1.652 383 HH TYR 65 HH TYR 65 9.782 -16.948 -7.612 384 H THR 66 HN THR 66 6.156 -16.033 -0.099 385 HG1 THR 66 HG1 THR 66 7.728 -15.445 1.164 386 H ASN 67 HN ASN 67 4.665 -18.793 -0.715 387 HD21 ASN 67 HD21 ASN 67 2.238 -16.965 2.916 388 HD22 ASN 67 HD22 ASN 67 2.081 -17.858 4.392 389 H SER 68 HN SER 68 2.456 -18.864 -1.516 390 HG SER 68 HG SER 68 -0.609 -19.366 -1.178 391 H SER 69 HN SER 69 2.609 -18.125 -3.250 392 HG SER 69 HG SER 69 1.203 -16.765 -5.901 393 H THR 70 HN THR 70 4.564 -20.247 -4.798 394 HG1 THR 70 HG1 THR 70 5.919 -20.073 -2.614 395 H GLU 71 HN GLU 71 5.069 -20.421 -7.033 396 H ILE 72 HN ILE 72 6.029 -18.762 -8.307 397 H GLU 74 HN GLU 74 11.672 -14.632 -9.543 398 H PHE 75 HN PHE 75 10.640 -11.171 -6.671 399 H ILE 77 HN ILE 77 13.124 -7.778 -11.962 400 H ALA 78 HN ALA 78 12.138 -4.678 -11.730 401 H GLU 80 HN GLU 80 13.824 0.902 -10.825 402 H ILE 81 HN ILE 81 13.052 1.416 -8.183 403 H ALA 82 HN ALA 82 13.955 -0.096 -6.362 404 H LEU 83 HN LEU 83 16.123 0.282 -5.083 405 H GLU 84 HN GLU 84 15.787 2.204 -3.684 406 H LEU 85 HN LEU 85 14.887 1.471 -1.429 407 H LEU 86 HN LEU 86 16.739 0.652 -0.164 408 H MET 87 HN MET 87 17.728 2.614 1.046 409 H ALA 88 HN ALA 88 16.909 2.707 3.523 410 H ALA 89 HN ALA 89 18.289 1.166 5.283 411 H ASN 90 HN ASN 90 18.442 2.075 8.853 412 HD21 ASN 90 HD21 ASN 90 16.875 3.079 13.303 413 HD22 ASN 90 HD22 ASN 90 17.430 2.098 14.615 414 H PHE 91 HN PHE 91 16.950 -0.356 8.357 Start of MODEL 17 1 H1 GLY 6 HT1 GLY 6 18.946 -3.260 8.987 2 H2 GLY 6 HT2 GLY 6 17.677 -3.273 7.860 3 H3 GLY 6 HT3 GLY 6 19.154 -4.016 7.490 4 H SER 7 HN SER 7 15.528 -5.694 8.888 5 HG SER 7 HG SER 7 13.703 -4.986 8.369 6 H LEU 8 HN LEU 8 14.321 -4.514 6.481 7 H GLN 9 HN GLN 9 16.617 -3.768 5.458 8 HE21 GLN 9 HE21 GLN 9 22.403 -1.257 4.711 9 HE22 GLN 9 HE22 GLN 9 22.966 -1.473 6.332 10 H TYR 10 HN TYR 10 17.384 -6.099 4.310 11 HH TYR 10 HH TYR 10 21.970 -12.915 1.811 12 H LEU 11 HN LEU 11 15.922 -7.323 3.152 13 H ALA 12 HN ALA 12 15.634 -5.504 1.137 14 H LEU 13 HN LEU 13 17.684 -5.791 -0.514 15 H ALA 14 HN ALA 14 17.065 -7.960 -1.598 16 H ALA 15 HN ALA 15 15.624 -7.250 -3.393 17 H LEU 16 HN LEU 16 16.146 -5.927 -4.998 18 H ILE 17 HN ILE 17 18.299 -6.030 -8.435 19 H LYS 18 HN LYS 18 20.443 -3.225 -6.385 20 HZ1 LYS 18 HZ1 LYS 18 16.961 3.140 -7.683 21 HZ2 LYS 18 HZ2 LYS 18 17.689 4.509 -8.359 22 HZ3 LYS 18 HZ3 LYS 18 17.906 4.162 -6.716 23 H LYS 20 HN LYS 20 23.822 1.032 -7.028 24 HZ1 LYS 20 HZ1 LYS 20 21.613 5.409 -11.428 25 HZ2 LYS 20 HZ2 LYS 20 20.501 5.125 -12.675 26 HZ3 LYS 20 HZ3 LYS 20 22.160 5.045 -12.992 27 H GLN 21 HN GLN 21 25.352 5.115 -7.884 28 HE21 GLN 21 HE21 GLN 21 29.950 4.668 -6.858 29 HE22 GLN 21 HE22 GLN 21 30.370 4.577 -5.182 30 H ILE 22 HN ILE 22 25.867 5.978 -3.398 31 H LYS 23 HN LYS 23 23.169 8.949 -3.431 32 HZ1 LYS 23 HZ1 LYS 23 26.950 14.539 -2.846 33 HZ2 LYS 23 HZ2 LYS 23 26.953 16.100 -3.502 34 HZ3 LYS 23 HZ3 LYS 23 27.009 14.755 -4.530 35 H LEU 26 HN LEU 26 17.315 13.422 -2.473 36 H SER 28 HN SER 28 14.873 18.003 -2.429 37 HG SER 28 HG SER 28 15.462 19.741 -4.034 38 H VAL 29 HN VAL 29 13.194 16.072 -3.112 39 H ARG 30 HN ARG 30 11.642 12.671 -3.669 40 HE ARG 30 HE ARG 30 8.317 12.871 -0.363 41 HH11 ARG 30 HH11 ARG 30 5.605 10.694 -0.750 42 HH12 ARG 30 HH12 ARG 30 4.855 11.161 0.749 43 HH21 ARG 30 HH21 ARG 30 7.320 13.515 1.580 44 HH22 ARG 30 HH22 ARG 30 5.819 12.777 2.075 45 H LYS 31 HN LYS 31 13.945 11.864 -2.746 46 HZ1 LYS 31 HZ1 LYS 31 17.414 6.718 -6.105 47 HZ2 LYS 31 HZ2 LYS 31 17.944 8.332 -6.121 48 HZ3 LYS 31 HZ3 LYS 31 18.368 7.290 -7.386 49 H LEU 32 HN LEU 32 16.538 8.397 -2.937 50 H THR 33 HN THR 33 20.149 11.235 -3.117 51 HG1 THR 33 HG1 THR 33 20.782 13.493 -3.060 52 H GLU 34 HN GLU 34 21.483 11.156 -7.504 53 H ASP 35 HN ASP 35 25.235 9.640 -6.270 54 H ARG 36 HN ARG 36 27.076 11.054 -4.698 55 HE ARG 36 HE ARG 36 30.075 7.549 -3.858 56 HH11 ARG 36 HH11 ARG 36 32.774 7.641 -1.608 57 HH12 ARG 36 HH12 ARG 36 32.310 6.169 -0.815 58 HH21 ARG 36 HH21 ARG 36 29.476 5.634 -2.813 59 HH22 ARG 36 HH22 ARG 36 30.438 5.028 -1.499 60 H TRP 37 HN TRP 37 28.722 11.948 -2.911 61 HE1 TRP 37 HE1 TRP 37 26.821 7.809 2.292 62 H1 MET 1 HT1 MET 1 -8.892 -15.299 -9.207 63 H2 MET 1 HT2 MET 1 -8.142 -16.765 -9.593 64 H3 MET 1 HT3 MET 1 -7.310 -15.607 -8.687 65 H ASP 2 HN ASP 2 -6.819 -15.684 -6.309 66 H VAL 3 HN VAL 3 -8.692 -12.271 -3.894 67 H PHE 4 HN PHE 4 -6.452 -9.098 -5.550 68 H LEU 5 HN LEU 5 -7.212 -6.352 -2.312 69 H MET 6 HN MET 6 -7.150 -2.041 -3.376 70 H ILE 7 HN ILE 7 -8.199 -0.860 0.497 71 H ARG 8 HN ARG 8 -9.222 3.046 -1.178 72 HE ARG 8 HE ARG 8 -5.157 8.287 -0.094 73 HH11 ARG 8 HH11 ARG 8 -4.540 7.750 -3.510 74 HH12 ARG 8 HH12 ARG 8 -3.759 9.286 -3.730 75 HH21 ARG 8 HH21 ARG 8 -4.118 10.282 -0.386 76 HH22 ARG 8 HH22 ARG 8 -3.516 10.721 -1.950 77 H ARG 9 HN ARG 9 -8.876 5.269 2.385 78 HE ARG 9 HE ARG 9 -10.313 7.523 6.246 79 HH11 ARG 9 HH11 ARG 9 -12.675 9.907 5.229 80 HH12 ARG 9 HH12 ARG 9 -11.728 11.269 5.748 81 HH21 ARG 9 HH21 ARG 9 -9.071 9.295 6.937 82 HH22 ARG 9 HH22 ARG 9 -9.668 10.910 6.725 83 H HIS 10 HN HIS 10 -9.257 8.327 0.438 84 HE2 HIS 10 HE2 HIS 10 -6.488 14.578 0.448 85 H LYS 11 HN LYS 11 -7.534 9.607 3.818 86 HZ1 LYS 11 HZ1 LYS 11 -3.028 14.705 2.021 87 HZ2 LYS 11 HZ2 LYS 11 -3.503 13.295 1.209 88 HZ3 LYS 11 HZ3 LYS 11 -2.248 13.242 2.349 89 H THR 12 HN THR 12 -7.487 7.794 4.628 90 HG1 THR 12 HG1 THR 12 -7.708 7.191 7.621 91 H THR 13 HN THR 13 -5.066 4.228 4.853 92 HG1 THR 13 HG1 THR 13 -4.281 5.023 3.058 93 H ILE 14 HN ILE 14 -7.337 1.140 2.775 94 H PHE 15 HN PHE 15 -5.234 -2.405 4.023 95 H THR 16 HN THR 16 -7.127 -4.497 0.557 96 HG1 THR 16 HG1 THR 16 -8.970 -3.789 1.869 97 H ASP 17 HN ASP 17 -7.937 -8.326 2.288 98 H ALA 18 HN ALA 18 -9.129 -9.745 -1.249 99 H LYS 19 HN LYS 19 -12.578 -12.312 -1.893 100 HZ1 LYS 19 HZ1 LYS 19 -7.706 -15.022 -0.847 101 HZ2 LYS 19 HZ2 LYS 19 -7.736 -15.488 0.779 102 HZ3 LYS 19 HZ3 LYS 19 -7.894 -13.851 0.369 103 H GLU 20 HN GLU 20 -11.936 -14.389 -5.773 104 H SER 21 HN SER 21 -14.402 -14.987 -5.032 105 HG SER 21 HG SER 21 -15.261 -17.319 -5.615 106 H SER 22 HN SER 22 -15.361 -12.986 -3.883 107 HG SER 22 HG SER 22 -15.199 -13.157 -0.925 108 H THR 23 HN THR 23 -18.792 -10.705 -1.856 109 HG1 THR 23 HG1 THR 23 -20.538 -10.219 -1.160 110 H VAL 24 HN VAL 24 -19.910 -6.985 -4.234 111 H PHE 25 HN PHE 25 -21.084 -6.172 -2.149 112 H GLU 26 HN GLU 26 -19.942 -7.514 -0.209 113 H LEU 27 HN LEU 27 -17.648 -6.240 0.182 114 H LYS 28 HN LYS 28 -18.259 -3.936 1.376 115 HZ1 LYS 28 HZ1 LYS 28 -22.875 -0.491 -0.958 116 HZ2 LYS 28 HZ2 LYS 28 -22.263 0.917 -1.670 117 HZ3 LYS 28 HZ3 LYS 28 -22.744 0.936 -0.049 118 H ARG 29 HN ARG 29 -19.071 -4.928 3.701 119 HE ARG 29 HE ARG 29 -21.928 -7.170 7.424 120 HH11 ARG 29 HH11 ARG 29 -21.927 -10.198 5.671 121 HH12 ARG 29 HH12 ARG 29 -21.957 -11.174 7.104 122 HH21 ARG 29 HH21 ARG 29 -22.001 -8.448 9.310 123 HH22 ARG 29 HH22 ARG 29 -22.025 -10.177 9.173 124 H ILE 30 HN ILE 30 -16.796 -5.768 4.805 125 H VAL 31 HN VAL 31 -15.316 -3.566 5.084 126 H GLU 32 HN GLU 32 -16.855 -2.410 6.903 127 H GLY 33 HN GLY 33 -16.189 -3.687 9.175 128 H ILE 34 HN ILE 34 -14.202 -2.285 9.877 129 H LEU 35 HN LEU 35 -13.633 -0.142 9.686 130 H LYS 36 HN LYS 36 -15.101 0.135 11.534 131 HZ1 LYS 36 HZ1 LYS 36 -15.554 -1.293 17.741 132 HZ2 LYS 36 HZ2 LYS 36 -14.223 -2.323 17.584 133 HZ3 LYS 36 HZ3 LYS 36 -15.129 -1.903 16.221 134 H ARG 37 HN ARG 37 -17.419 1.399 10.502 135 HE ARG 37 HE ARG 37 -14.989 4.764 11.304 136 HH11 ARG 37 HH11 ARG 37 -15.232 8.168 10.506 137 HH12 ARG 37 HH12 ARG 37 -13.964 8.644 11.588 138 HH21 ARG 37 HH21 ARG 37 -13.309 5.377 12.714 139 HH22 ARG 37 HH22 ARG 37 -12.855 7.045 12.846 140 H ASP 40 HN ASP 40 -23.783 1.204 5.594 141 H GLU 41 HN GLU 41 -22.946 3.532 5.021 142 H GLN 42 HN GLN 42 -21.421 3.296 3.234 143 HE21 GLN 42 HE21 GLN 42 -18.684 1.521 6.417 144 HE22 GLN 42 HE22 GLN 42 -17.792 0.068 6.131 145 H ARG 43 HN ARG 43 -18.359 5.048 0.394 146 HE ARG 43 HE ARG 43 -23.824 5.661 -2.999 147 HH11 ARG 43 HH11 ARG 43 -22.441 4.041 -0.219 148 HH12 ARG 43 HH12 ARG 43 -23.956 3.914 0.623 149 HH21 ARG 43 HH21 ARG 43 -25.823 5.461 -1.913 150 HH22 ARG 43 HH22 ARG 43 -25.875 4.725 -0.344 151 H LEU 44 HN LEU 44 -18.611 2.385 -2.747 152 H TYR 45 HN TYR 45 -14.799 3.753 -4.481 153 HH TYR 45 HH TYR 45 -19.695 9.215 -5.125 154 H LYS 46 HN LYS 46 -15.208 2.452 -8.540 155 HZ1 LYS 46 HZ1 LYS 46 -13.094 -2.993 -12.067 156 HZ2 LYS 46 HZ2 LYS 46 -11.480 -3.203 -12.522 157 HZ3 LYS 46 HZ3 LYS 46 -12.087 -1.640 -12.273 158 H ASP 47 HN ASP 47 -11.283 2.678 -10.348 159 H ASP 48 HN ASP 48 -12.453 4.987 -10.660 160 H GLN 49 HN GLN 49 -14.948 4.266 -10.961 161 HE21 GLN 49 HE21 GLN 49 -17.618 6.582 -13.378 162 HE22 GLN 49 HE22 GLN 49 -19.314 6.829 -13.635 163 H LEU 50 HN LEU 50 -19.327 4.459 -10.362 164 H LEU 51 HN LEU 51 -18.595 1.577 -6.940 165 H ASP 52 HN ASP 52 -20.596 -2.328 -8.357 166 H ASP 53 HN ASP 53 -23.646 -2.145 -5.170 167 H GLY 54 HN GLY 54 -24.782 -4.625 -5.767 168 H LYS 55 HN LYS 55 -23.068 -5.916 -7.037 169 HZ1 LYS 55 HZ1 LYS 55 -21.995 -4.833 -13.840 170 HZ2 LYS 55 HZ2 LYS 55 -22.008 -3.374 -12.988 171 HZ3 LYS 55 HZ3 LYS 55 -23.349 -3.819 -13.916 172 H THR 56 HN THR 56 -20.604 -9.484 -8.570 173 HG1 THR 56 HG1 THR 56 -20.006 -11.095 -9.035 174 H LEU 57 HN LEU 57 -16.796 -9.877 -6.120 175 H GLY 58 HN GLY 58 -15.675 -11.002 -8.388 176 H GLU 59 HN GLU 59 -17.312 -9.920 -10.349 177 H CYS 60 HN CYS 60 -16.432 -7.674 -10.511 178 HG CYS 60 HG CYS 60 -18.111 -6.631 -8.753 179 H GLY 61 HN GLY 61 -14.817 -7.379 -12.433 180 H PHE 62 HN PHE 62 -13.172 -7.696 -10.830 181 H THR 63 HN THR 63 -9.291 -8.552 -11.519 182 HG1 THR 63 HG1 THR 63 -9.112 -9.170 -14.149 183 H SER 64 HN SER 64 -7.526 -12.626 -11.663 184 HG SER 64 HG SER 64 -6.595 -14.954 -11.386 185 H GLN 65 HN GLN 65 -6.177 -10.513 -12.687 186 HE21 GLN 65 HE21 GLN 65 -3.235 -12.478 -14.136 187 HE22 GLN 65 HE22 GLN 65 -1.584 -12.203 -14.572 188 H THR 66 HN THR 66 -6.353 -8.193 -12.716 189 HG1 THR 66 HG1 THR 66 -8.888 -6.540 -12.630 190 H ALA 67 HN ALA 67 -5.980 -8.248 -10.361 191 H ARG 68 HN ARG 68 -2.999 -7.277 -7.963 192 HE ARG 68 HE ARG 68 -1.637 -8.473 -11.729 193 HH11 ARG 68 HH11 ARG 68 1.803 -8.959 -12.182 194 HH12 ARG 68 HH12 ARG 68 1.974 -7.621 -13.270 195 HH21 ARG 68 HH21 ARG 68 -1.407 -6.721 -13.170 196 HH22 ARG 68 HH22 ARG 68 0.161 -6.334 -13.814 197 H GLN 70 HN GLN 70 0.976 -8.843 -6.435 198 HE21 GLN 70 HE21 GLN 70 4.951 -10.389 -8.575 199 HE22 GLN 70 HE22 GLN 70 4.882 -10.061 -10.272 200 H ALA 71 HN ALA 71 0.087 -6.871 -6.437 201 H ALA 73 HN ALA 73 -5.559 -4.516 -6.504 202 H THR 74 HN THR 74 -5.881 -0.037 -7.260 203 HG1 THR 74 HG1 THR 74 -4.450 0.588 -5.866 204 H VAL 75 HN VAL 75 -8.594 0.985 -3.838 205 H GLY 76 HN GLY 76 -11.628 3.796 -5.256 206 H LEU 77 HN LEU 77 -11.851 5.675 -1.090 207 H ALA 78 HN ALA 78 -15.994 6.070 -1.002 208 H PHE 79 HN PHE 79 -17.013 9.480 1.840 209 H ARG 80 HN ARG 80 -20.859 8.138 3.052 210 HE ARG 80 HE ARG 80 -25.460 8.202 3.526 211 HH11 ARG 80 HH11 ARG 80 -26.771 8.267 0.276 212 HH12 ARG 80 HH12 ARG 80 -27.540 6.718 0.414 213 HH21 ARG 80 HH21 ARG 80 -26.448 6.138 3.704 214 HH22 ARG 80 HH22 ARG 80 -27.336 5.499 2.348 215 H ALA 81 HN ALA 81 -20.696 12.114 4.070 216 H ASP 82 HN ASP 82 -23.264 13.554 7.289 217 H ASP 83 HN ASP 83 -23.035 17.811 5.622 218 H THR 84 HN THR 84 -20.622 16.902 5.578 219 HG1 THR 84 HG1 THR 84 -19.757 16.043 7.534 220 H PHE 85 HN PHE 85 -17.333 18.826 4.465 221 H GLU 86 HN GLU 86 -15.696 16.953 3.947 222 H ALA 87 HN ALA 87 -16.477 14.801 2.624 223 H LEU 88 HN LEU 88 -16.865 15.419 -0.011 224 H CYS 89 HN CYS 89 -14.392 15.439 -0.693 225 HG CYS 89 HG CYS 89 -14.018 17.511 0.019 226 H ILE 90 HN ILE 90 -13.623 13.279 -1.188 227 H GLU 91 HN GLU 91 -14.496 12.205 -2.936 228 H PHE 93 HN PHE 93 -15.098 10.502 -7.928 229 H SER 94 HN SER 94 -15.233 12.699 -7.687 230 HG SER 94 HG SER 94 -17.813 13.714 -5.589 231 H SER 95 HN SER 95 -13.546 13.800 -7.478 232 HG SER 95 HG SER 95 -13.379 16.954 -6.628 233 H GLU 98 HN GLU 98 -6.673 11.767 -4.677 234 H LEU 99 HN LEU 99 -3.005 13.755 -6.089 235 H ASP 101 HN ASP 101 1.796 16.748 -6.819 236 H VAL 102 HN VAL 102 4.437 16.722 -6.663 237 H MET 103 HN MET 103 4.906 14.285 -7.302 238 H LYS 104 HN LYS 104 5.445 13.781 -9.728 239 HZ1 LYS 104 HZ1 LYS 104 2.124 14.573 -14.892 240 HZ2 LYS 104 HZ2 LYS 104 1.753 16.025 -14.116 241 HZ3 LYS 104 HZ3 LYS 104 0.849 15.532 -15.455 242 H GLN 106 HN GLN 106 6.399 10.439 -13.276 243 HE21 GLN 106 HE21 GLN 106 9.333 11.861 -9.127 244 HE22 GLN 106 HE22 GLN 106 8.621 11.184 -7.704 245 H ASP 107 HN ASP 107 9.560 7.456 -14.022 246 H SER 108 HN SER 108 6.498 4.587 -15.951 247 HG SER 108 HG SER 108 3.757 4.117 -16.615 248 H GLY 109 HN GLY 109 5.793 1.840 -12.350 249 H SER 110 HN SER 110 7.135 -1.977 -11.637 250 HG SER 110 HG SER 110 7.257 -3.547 -10.728 251 H SER 111 HN SER 111 5.251 -2.631 -10.752 252 HG SER 111 HG SER 111 3.754 -4.583 -7.800 253 H ALA 112 HN ALA 112 0.708 -3.239 -10.506 254 H ASN 113 HN ASN 113 0.059 0.888 -12.200 255 HD21 ASN 113 HD21 ASN 113 0.094 4.526 -8.511 256 HD22 ASN 113 HD22 ASN 113 -0.969 5.800 -9.004 257 H GLU 114 HN GLU 114 2.329 0.828 -10.783 258 H GLN 115 HN GLN 115 5.287 3.350 -8.379 259 HE21 GLN 115 HE21 GLN 115 4.176 8.336 -10.645 260 HE22 GLN 115 HE22 GLN 115 3.716 9.479 -9.431 261 H ALA 116 HN ALA 116 8.152 5.205 -11.254 262 H VAL 117 HN VAL 117 11.161 6.091 -8.598 263 H GLN 118 HN GLN 118 12.877 8.944 -11.647 264 HE21 GLN 118 HE21 GLN 118 13.083 5.011 -14.087 265 HE22 GLN 118 HE22 GLN 118 11.441 5.442 -13.759 266 H1 VAL 1 HN VAL 1 -2.764 -5.368 12.219 267 H LYS 2 HN LYS 2 -1.631 -1.032 12.626 268 HZ1 LYS 2 HZ1 LYS 2 -4.421 5.165 13.692 269 HZ2 LYS 2 HZ2 LYS 2 -5.675 4.249 13.024 270 HZ3 LYS 2 HZ3 LYS 2 -5.022 5.546 12.151 271 H LEU 3 HN LEU 3 -0.359 0.561 8.932 272 H ILE 4 HN ILE 4 2.037 3.753 10.924 273 H SER 5 HN SER 5 1.706 6.630 7.803 274 HG SER 5 HG SER 5 1.878 6.527 5.856 275 H SER 6 HN SER 6 5.704 8.856 7.565 276 HG SER 6 HG SER 6 6.951 9.381 9.272 277 H ASP 7 HN ASP 7 3.908 10.225 6.269 278 H GLY 8 HN GLY 8 1.940 10.677 7.457 279 H HIS 9 HN HIS 9 0.575 9.164 6.477 280 HD1 HIS 9 HD1 HIS 9 -1.862 6.000 2.788 281 H GLU 10 HN GLU 10 -3.199 6.849 6.116 282 H PHE 11 HN PHE 11 -1.378 3.045 7.582 283 H ILE 12 HN ILE 12 -4.081 0.520 6.029 284 H VAL 13 HN VAL 13 -2.741 -3.224 8.062 285 H LYS 14 HN LYS 14 -3.741 -6.579 5.196 286 HZ1 LYS 14 HZ1 LYS 14 -7.635 -13.811 3.852 287 HZ2 LYS 14 HZ2 LYS 14 -5.955 -13.578 3.846 288 HZ3 LYS 14 HZ3 LYS 14 -6.936 -12.740 2.745 289 H ARG 15 HN ARG 15 -5.747 -8.877 8.633 290 HE ARG 15 HE ARG 15 -4.935 -11.296 14.660 291 HH11 ARG 15 HH11 ARG 15 -6.730 -13.787 12.988 292 HH12 ARG 15 HH12 ARG 15 -6.580 -14.943 14.272 293 HH21 ARG 15 HH21 ARG 15 -4.727 -12.811 16.364 294 HH22 ARG 15 HH22 ARG 15 -5.445 -14.380 16.201 295 H GLU 16 HN GLU 16 -4.756 -11.498 7.917 296 H HIS 17 HN HIS 17 -2.572 -11.023 6.116 297 HE2 HIS 17 HE2 HIS 17 -3.456 -11.433 1.319 298 H ALA 18 HN ALA 18 -1.150 -9.517 7.722 299 H LEU 19 HN LEU 19 -0.449 -11.189 9.793 300 H THR 20 HN THR 20 1.107 -13.073 8.582 301 HG1 THR 20 HG1 THR 20 0.498 -14.224 6.939 302 H SER 21 HN SER 21 3.139 -11.423 7.800 303 HG SER 21 HG SER 21 3.118 -9.966 6.203 304 H GLY 22 HN GLY 22 4.183 -10.982 10.090 305 H THR 23 HN THR 23 5.825 -12.936 10.294 306 HG1 THR 23 HG1 THR 23 4.781 -14.379 11.139 307 H ILE 24 HN ILE 24 8.007 -12.599 9.628 308 H LYS 25 HN LYS 25 12.585 -12.876 9.285 309 HZ1 LYS 25 HZ1 LYS 25 19.621 -13.367 13.524 310 HZ2 LYS 25 HZ2 LYS 25 19.478 -13.310 11.840 311 HZ3 LYS 25 HZ3 LYS 25 18.697 -14.530 12.711 312 H ALA 26 HN ALA 26 11.570 -9.838 11.548 313 H MET 27 HN MET 27 12.556 -5.475 10.804 314 H LEU 28 HN LEU 28 11.630 -6.384 13.641 315 H SER 29 HN SER 29 12.833 -6.372 15.834 316 HG SER 29 HG SER 29 12.496 -8.462 18.641 317 H GLY 30 HN GLY 30 13.403 -3.932 16.272 318 H GLY 32 HN GLY 32 13.823 0.992 21.356 319 H GLN 33 HN GLN 33 11.504 0.095 23.200 320 HE21 GLN 33 HE21 GLN 33 7.615 -3.491 27.343 321 HE22 GLN 33 HE22 GLN 33 7.589 -2.478 28.746 322 H PHE 34 HN PHE 34 9.373 -3.500 22.461 323 H ALA 35 HN ALA 35 6.174 -1.072 22.298 324 H GLU 36 HN GLU 36 2.303 -3.055 23.794 325 H ASN 37 HN ASN 37 1.074 -1.057 22.731 326 HD21 ASN 37 HD21 ASN 37 0.318 2.259 24.428 327 HD22 ASN 37 HD22 ASN 37 -1.279 1.901 24.992 328 H GLU 38 HN GLU 38 2.631 -0.324 20.796 329 H THR 39 HN THR 39 2.090 -2.083 19.140 330 HG1 THR 39 HG1 THR 39 3.337 -3.662 19.037 331 H ASN 40 HN ASN 40 0.170 -1.427 17.982 332 HD21 ASN 40 HD21 ASN 40 -1.694 -2.768 19.501 333 HD22 ASN 40 HD22 ASN 40 -3.007 -3.895 19.484 334 H GLU 41 HN GLU 41 -0.547 0.805 17.306 335 H VAL 42 HN VAL 42 0.893 1.371 13.699 336 H ASN 43 HN ASN 43 3.742 3.986 15.167 337 HD21 ASN 43 HD21 ASN 43 2.600 8.449 13.808 338 HD22 ASN 43 HD22 ASN 43 3.840 9.641 13.641 339 H PHE 44 HN PHE 44 4.800 6.008 11.365 340 H ARG 45 HN ARG 45 9.032 6.965 12.019 341 HE ARG 45 HE ARG 45 7.060 8.441 15.627 342 HH11 ARG 45 HH11 ARG 45 9.332 10.479 17.337 343 HH12 ARG 45 HH12 ARG 45 8.437 10.449 18.822 344 HH21 ARG 45 HH21 ARG 45 5.883 8.387 17.590 345 HH22 ARG 45 HH22 ARG 45 6.480 9.255 18.968 346 H GLU 46 HN GLU 46 9.519 10.767 9.686 347 H ILE 47 HN ILE 47 9.064 8.977 7.961 348 H SER 49 HN SER 49 4.761 9.181 2.678 349 HG SER 49 HG SER 49 3.175 9.780 1.865 350 H HIS 50 HN HIS 50 4.919 8.168 0.288 351 HE2 HIS 50 HE2 HIS 50 3.574 8.365 -5.902 352 H VAL 51 HN VAL 51 7.429 6.492 0.035 353 H LEU 52 HN LEU 52 6.625 4.753 1.843 354 H SER 53 HN SER 53 4.675 3.478 0.720 355 HG SER 53 HG SER 53 2.943 4.314 0.275 356 H LYS 54 HN LYS 54 5.759 1.764 -1.107 357 HZ1 LYS 54 HZ1 LYS 54 8.054 -1.665 -6.720 358 HZ2 LYS 54 HZ2 LYS 54 8.168 -2.477 -5.241 359 HZ3 LYS 54 HZ3 LYS 54 9.313 -2.766 -6.447 360 H VAL 55 HN VAL 55 6.850 0.078 0.520 361 H CYS 56 HN CYS 56 4.897 -1.160 1.771 362 HG CYS 56 HG CYS 56 3.898 0.105 3.191 363 H MET 57 HN MET 57 3.808 -2.528 -0.300 364 H TYR 58 HN TYR 58 5.734 -4.201 -0.842 365 HH TYR 58 HH TYR 58 13.097 -8.622 -1.422 366 H PHE 59 HN PHE 59 5.819 -5.856 1.297 367 H THR 60 HN THR 60 3.451 -7.014 1.121 368 HG1 THR 60 HG1 THR 60 1.670 -6.100 1.241 369 H TYR 61 HN TYR 61 3.784 -8.452 -1.144 370 HH TYR 61 HH TYR 61 6.887 -13.149 -7.609 371 H LYS 62 HN LYS 62 5.668 -10.089 -0.377 372 HZ1 LYS 62 HZ1 LYS 62 12.537 -12.324 -1.663 373 HZ2 LYS 62 HZ2 LYS 62 11.956 -10.754 -1.403 374 HZ3 LYS 62 HZ3 LYS 62 11.115 -11.814 -2.427 375 H VAL 63 HN VAL 63 4.324 -11.675 1.366 376 H ARG 64 HN ARG 64 2.588 -13.206 -0.160 377 HE ARG 64 HE ARG 64 -2.395 -13.389 0.020 378 HH11 ARG 64 HH11 ARG 64 -2.474 -16.343 -1.846 379 HH12 ARG 64 HH12 ARG 64 -4.200 -16.346 -2.009 380 HH21 ARG 64 HH21 ARG 64 -4.678 -13.376 -0.203 381 HH22 ARG 64 HH22 ARG 64 -5.446 -14.669 -1.090 382 H TYR 65 HN TYR 65 4.340 -14.265 -1.676 383 HH TYR 65 HH TYR 65 11.123 -16.359 -6.461 384 H THR 66 HN THR 66 5.735 -16.025 -0.101 385 HG1 THR 66 HG1 THR 66 7.168 -15.438 1.197 386 H ASN 67 HN ASN 67 4.113 -18.026 -0.550 387 HD21 ASN 67 HD21 ASN 67 -0.292 -17.913 2.146 388 HD22 ASN 67 HD22 ASN 67 0.204 -18.103 3.790 389 H SER 68 HN SER 68 2.413 -18.765 -1.854 390 HG SER 68 HG SER 68 -0.617 -18.837 -2.921 391 H SER 69 HN SER 69 2.740 -18.125 -3.386 392 HG SER 69 HG SER 69 1.207 -16.136 -5.827 393 H THR 70 HN THR 70 4.639 -19.975 -4.623 394 HG1 THR 70 HG1 THR 70 6.102 -19.883 -2.637 395 H GLU 71 HN GLU 71 4.965 -20.420 -6.953 396 H ILE 72 HN ILE 72 5.687 -18.642 -8.410 397 H GLU 74 HN GLU 74 11.440 -14.316 -8.897 398 H PHE 75 HN PHE 75 10.201 -10.730 -6.332 399 H ILE 77 HN ILE 77 13.138 -7.762 -11.830 400 H ALA 78 HN ALA 78 12.064 -4.835 -11.852 401 H GLU 80 HN GLU 80 13.361 1.409 -10.975 402 H ILE 81 HN ILE 81 12.782 1.504 -8.286 403 H ALA 82 HN ALA 82 15.159 1.420 -4.942 404 H LEU 83 HN LEU 83 16.840 0.605 -4.549 405 H GLU 84 HN GLU 84 16.377 2.582 -3.234 406 H LEU 85 HN LEU 85 15.102 1.873 -1.125 407 H LEU 86 HN LEU 86 16.641 0.581 0.038 408 H MET 87 HN MET 87 18.160 2.349 1.096 409 H ALA 88 HN ALA 88 17.249 2.565 3.602 410 H ALA 89 HN ALA 89 18.490 1.091 5.407 411 H ASN 90 HN ASN 90 18.111 1.883 8.861 412 HD21 ASN 90 HD21 ASN 90 15.709 2.785 12.995 413 HD22 ASN 90 HD22 ASN 90 16.175 1.898 14.400 414 H PHE 91 HN PHE 91 16.712 -0.392 8.105 Start of MODEL 18 1 H1 GLY 6 HT1 GLY 6 17.252 -3.810 9.785 2 H2 GLY 6 HT2 GLY 6 17.290 -3.639 8.097 3 H3 GLY 6 HT3 GLY 6 18.719 -3.497 9.000 4 H SER 7 HN SER 7 15.500 -5.446 8.852 5 HG SER 7 HG SER 7 13.535 -4.429 8.379 6 H LEU 8 HN LEU 8 14.307 -4.218 6.365 7 H GLN 9 HN GLN 9 16.719 -3.874 5.561 8 HE21 GLN 9 HE21 GLN 9 21.930 -2.391 6.642 9 HE22 GLN 9 HE22 GLN 9 22.528 -3.301 7.986 10 H TYR 10 HN TYR 10 17.452 -6.375 4.511 11 HH TYR 10 HH TYR 10 22.060 -13.114 1.870 12 H LEU 11 HN LEU 11 15.879 -7.305 3.281 13 H ALA 12 HN ALA 12 15.622 -5.497 1.236 14 H LEU 13 HN LEU 13 17.645 -6.069 -0.238 15 H ALA 14 HN ALA 14 17.070 -8.179 -1.505 16 H ALA 15 HN ALA 15 15.711 -7.290 -3.171 17 H LEU 16 HN LEU 16 16.302 -6.128 -4.874 18 H ILE 17 HN ILE 17 18.176 -6.045 -8.321 19 H LYS 18 HN LYS 18 20.500 -3.165 -6.444 20 HZ1 LYS 18 HZ1 LYS 18 17.088 3.423 -7.728 21 HZ2 LYS 18 HZ2 LYS 18 18.033 4.791 -8.033 22 HZ3 LYS 18 HZ3 LYS 18 17.818 4.253 -6.441 23 H LYS 20 HN LYS 20 23.553 1.011 -7.284 24 HZ1 LYS 20 HZ1 LYS 20 21.307 5.894 -11.420 25 HZ2 LYS 20 HZ2 LYS 20 21.075 5.505 -13.051 26 HZ3 LYS 20 HZ3 LYS 20 22.508 5.059 -12.272 27 H GLN 21 HN GLN 21 24.984 5.154 -8.066 28 HE21 GLN 21 HE21 GLN 21 29.653 4.866 -8.030 29 HE22 GLN 21 HE22 GLN 21 30.401 4.628 -6.488 30 H ILE 22 HN ILE 22 26.114 6.065 -3.698 31 H LYS 23 HN LYS 23 22.903 8.666 -3.151 32 HZ1 LYS 23 HZ1 LYS 23 27.235 13.940 -1.832 33 HZ2 LYS 23 HZ2 LYS 23 27.659 15.310 -2.723 34 HZ3 LYS 23 HZ3 LYS 23 27.621 13.801 -3.479 35 H LEU 26 HN LEU 26 17.094 13.183 -2.588 36 H SER 28 HN SER 28 14.695 17.683 -2.505 37 HG SER 28 HG SER 28 15.627 18.531 -4.989 38 H VAL 29 HN VAL 29 12.895 15.918 -3.007 39 H ARG 30 HN ARG 30 12.043 12.851 -3.322 40 HE ARG 30 HE ARG 30 8.711 13.636 -0.360 41 HH11 ARG 30 HH11 ARG 30 6.134 11.515 0.721 42 HH12 ARG 30 HH12 ARG 30 5.610 12.580 1.991 43 HH21 ARG 30 HH21 ARG 30 8.008 15.044 1.306 44 HH22 ARG 30 HH22 ARG 30 6.663 14.582 2.300 45 H LYS 31 HN LYS 31 14.033 11.915 -2.608 46 HZ1 LYS 31 HZ1 LYS 31 17.191 6.771 -6.226 47 HZ2 LYS 31 HZ2 LYS 31 17.552 8.426 -6.342 48 HZ3 LYS 31 HZ3 LYS 31 17.924 7.392 -7.628 49 H LEU 32 HN LEU 32 16.471 8.342 -2.889 50 H THR 33 HN THR 33 20.423 10.674 -3.363 51 HG1 THR 33 HG1 THR 33 20.326 12.622 -3.476 52 H GLU 34 HN GLU 34 22.142 11.204 -7.450 53 H ASP 35 HN ASP 35 25.967 9.480 -6.415 54 H ARG 36 HN ARG 36 27.725 10.596 -4.636 55 HE ARG 36 HE ARG 36 30.845 7.925 -3.063 56 HH11 ARG 36 HH11 ARG 36 33.475 5.951 -4.275 57 HH12 ARG 36 HH12 ARG 36 32.868 4.494 -3.554 58 HH21 ARG 36 HH21 ARG 36 30.062 6.021 -2.116 59 HH22 ARG 36 HH22 ARG 36 30.934 4.533 -2.321 60 H TRP 37 HN TRP 37 29.124 11.351 -2.933 61 HE1 TRP 37 HE1 TRP 37 29.787 6.359 1.756 62 H1 MET 1 HT1 MET 1 -8.532 -15.243 -9.159 63 H2 MET 1 HT2 MET 1 -8.462 -16.896 -9.513 64 H3 MET 1 HT3 MET 1 -7.379 -16.227 -8.401 65 H ASP 2 HN ASP 2 -7.174 -15.569 -6.669 66 H VAL 3 HN VAL 3 -8.485 -12.127 -3.954 67 H PHE 4 HN PHE 4 -6.345 -8.915 -5.557 68 H LEU 5 HN LEU 5 -7.189 -6.293 -2.284 69 H MET 6 HN MET 6 -7.090 -1.976 -3.380 70 H ILE 7 HN ILE 7 -8.128 -0.915 0.413 71 H ARG 8 HN ARG 8 -8.924 2.969 -1.224 72 HE ARG 8 HE ARG 8 -4.904 8.243 -0.306 73 HH11 ARG 8 HH11 ARG 8 -4.439 7.577 -3.719 74 HH12 ARG 8 HH12 ARG 8 -3.573 9.054 -4.016 75 HH21 ARG 8 HH21 ARG 8 -3.768 10.189 -0.700 76 HH22 ARG 8 HH22 ARG 8 -3.197 10.537 -2.299 77 H ARG 9 HN ARG 9 -8.735 5.019 2.389 78 HE ARG 9 HE ARG 9 -10.075 7.530 6.491 79 HH11 ARG 9 HH11 ARG 9 -12.804 9.416 5.364 80 HH12 ARG 9 HH12 ARG 9 -12.185 10.930 5.954 81 HH21 ARG 9 HH21 ARG 9 -9.259 9.516 7.307 82 HH22 ARG 9 HH22 ARG 9 -10.165 10.976 7.062 83 H HIS 10 HN HIS 10 -9.063 7.961 0.411 84 HE2 HIS 10 HE2 HIS 10 -6.327 14.280 0.141 85 H LYS 11 HN LYS 11 -7.445 9.491 3.678 86 HZ1 LYS 11 HZ1 LYS 11 -2.963 14.576 1.669 87 HZ2 LYS 11 HZ2 LYS 11 -3.310 13.069 0.980 88 HZ3 LYS 11 HZ3 LYS 11 -2.122 13.204 2.182 89 H THR 12 HN THR 12 -7.329 7.572 4.300 90 HG1 THR 12 HG1 THR 12 -7.455 7.236 7.310 91 H THR 13 HN THR 13 -4.731 4.310 4.487 92 HG1 THR 13 HG1 THR 13 -3.182 4.472 1.123 93 H ILE 14 HN ILE 14 -7.261 1.274 2.728 94 H PHE 15 HN PHE 15 -5.137 -2.314 3.978 95 H THR 16 HN THR 16 -6.950 -4.585 0.556 96 HG1 THR 16 HG1 THR 16 -8.740 -3.829 1.832 97 H ASP 17 HN ASP 17 -7.798 -8.428 2.279 98 H ALA 18 HN ALA 18 -8.972 -9.879 -1.349 99 H LYS 19 HN LYS 19 -12.534 -12.264 -1.949 100 HZ1 LYS 19 HZ1 LYS 19 -7.542 -14.756 -1.383 101 HZ2 LYS 19 HZ2 LYS 19 -7.905 -13.945 0.065 102 HZ3 LYS 19 HZ3 LYS 19 -8.651 -13.476 -1.379 103 H GLU 20 HN GLU 20 -11.879 -14.144 -5.939 104 H SER 21 HN SER 21 -14.440 -14.764 -5.440 105 HG SER 21 HG SER 21 -15.318 -16.639 -6.432 106 H SER 22 HN SER 22 -15.361 -12.868 -4.080 107 HG SER 22 HG SER 22 -15.385 -13.196 -1.227 108 H THR 23 HN THR 23 -18.846 -10.792 -1.912 109 HG1 THR 23 HG1 THR 23 -20.404 -10.557 -1.322 110 H VAL 24 HN VAL 24 -19.826 -7.002 -4.309 111 H PHE 25 HN PHE 25 -21.083 -6.098 -2.101 112 H GLU 26 HN GLU 26 -19.775 -7.407 -0.195 113 H LEU 27 HN LEU 27 -17.538 -6.172 0.189 114 H LYS 28 HN LYS 28 -18.187 -3.900 1.373 115 HZ1 LYS 28 HZ1 LYS 28 -22.582 -0.462 -1.303 116 HZ2 LYS 28 HZ2 LYS 28 -22.051 1.088 -1.743 117 HZ3 LYS 28 HZ3 LYS 28 -22.705 0.827 -0.208 118 H ARG 29 HN ARG 29 -18.930 -4.855 3.718 119 HE ARG 29 HE ARG 29 -20.920 -8.326 6.807 120 HH11 ARG 29 HH11 ARG 29 -22.876 -9.632 4.210 121 HH12 ARG 29 HH12 ARG 29 -23.226 -11.110 5.050 122 HH21 ARG 29 HH21 ARG 29 -21.365 -10.269 7.904 123 HH22 ARG 29 HH22 ARG 29 -22.368 -11.471 7.151 124 H ILE 30 HN ILE 30 -16.678 -5.636 4.730 125 H VAL 31 HN VAL 31 -15.283 -3.405 4.981 126 H GLU 32 HN GLU 32 -16.800 -2.319 6.831 127 H GLY 33 HN GLY 33 -16.082 -3.693 8.973 128 H ILE 34 HN ILE 34 -14.126 -2.154 9.750 129 H LEU 35 HN LEU 35 -13.512 0.001 9.480 130 H LYS 36 HN LYS 36 -15.072 0.187 11.248 131 HZ1 LYS 36 HZ1 LYS 36 -13.176 0.316 18.157 132 HZ2 LYS 36 HZ2 LYS 36 -11.827 -0.638 17.795 133 HZ3 LYS 36 HZ3 LYS 36 -13.355 -1.354 17.946 134 H ARG 37 HN ARG 37 -17.363 1.518 10.367 135 HE ARG 37 HE ARG 37 -14.308 6.091 10.892 136 HH11 ARG 37 HH11 ARG 37 -17.011 8.298 10.568 137 HH12 ARG 37 HH12 ARG 37 -16.282 9.533 11.544 138 HH21 ARG 37 HH21 ARG 37 -13.345 7.704 12.163 139 HH22 ARG 37 HH22 ARG 37 -14.183 9.196 12.450 140 H ASP 40 HN ASP 40 -23.722 1.483 5.850 141 H GLU 41 HN GLU 41 -23.122 3.982 5.029 142 H GLN 42 HN GLN 42 -21.625 3.413 2.995 143 HE21 GLN 42 HE21 GLN 42 -18.695 1.652 6.475 144 HE22 GLN 42 HE22 GLN 42 -17.891 0.148 6.191 145 H ARG 43 HN ARG 43 -18.393 5.252 0.507 146 HE ARG 43 HE ARG 43 -22.990 7.611 -0.851 147 HH11 ARG 43 HH11 ARG 43 -22.494 4.154 -0.601 148 HH12 ARG 43 HH12 ARG 43 -23.728 3.938 0.604 149 HH21 ARG 43 HH21 ARG 43 -24.594 7.327 0.757 150 HH22 ARG 43 HH22 ARG 43 -24.911 5.742 1.388 151 H LEU 44 HN LEU 44 -18.608 2.511 -2.650 152 H TYR 45 HN TYR 45 -14.741 3.743 -4.168 153 HH TYR 45 HH TYR 45 -19.618 9.244 -5.731 154 H LYS 46 HN LYS 46 -15.110 2.510 -8.279 155 HZ1 LYS 46 HZ1 LYS 46 -12.830 -2.829 -11.906 156 HZ2 LYS 46 HZ2 LYS 46 -11.175 -3.044 -12.188 157 HZ3 LYS 46 HZ3 LYS 46 -11.774 -1.497 -11.851 158 H ASP 47 HN ASP 47 -11.362 2.339 -10.426 159 H ASP 48 HN ASP 48 -12.438 4.634 -10.705 160 H GLN 49 HN GLN 49 -14.972 4.166 -10.924 161 HE21 GLN 49 HE21 GLN 49 -17.288 6.794 -13.145 162 HE22 GLN 49 HE22 GLN 49 -18.894 7.310 -13.534 163 H LEU 50 HN LEU 50 -19.350 4.302 -10.183 164 H LEU 51 HN LEU 51 -18.453 1.539 -6.747 165 H ASP 52 HN ASP 52 -20.399 -2.457 -7.999 166 H ASP 53 HN ASP 53 -23.827 -2.239 -5.198 167 H GLY 54 HN GLY 54 -24.868 -4.516 -5.841 168 H LYS 55 HN LYS 55 -22.928 -6.089 -6.439 169 HZ1 LYS 55 HZ1 LYS 55 -22.564 -4.484 -13.550 170 HZ2 LYS 55 HZ2 LYS 55 -23.315 -3.295 -12.609 171 HZ3 LYS 55 HZ3 LYS 55 -24.207 -4.141 -13.770 172 H THR 56 HN THR 56 -20.726 -9.388 -8.547 173 HG1 THR 56 HG1 THR 56 -20.073 -10.936 -9.120 174 H LEU 57 HN LEU 57 -16.840 -9.809 -6.232 175 H GLY 58 HN GLY 58 -15.744 -10.788 -8.488 176 H GLU 59 HN GLU 59 -17.421 -9.643 -10.344 177 H CYS 60 HN CYS 60 -16.430 -7.410 -10.549 178 HG CYS 60 HG CYS 60 -18.197 -6.383 -8.681 179 H GLY 61 HN GLY 61 -14.987 -6.970 -12.613 180 H PHE 62 HN PHE 62 -13.330 -7.301 -10.799 181 H THR 63 HN THR 63 -9.313 -8.236 -11.291 182 HG1 THR 63 HG1 THR 63 -10.182 -8.767 -12.976 183 H SER 64 HN SER 64 -7.867 -12.453 -10.980 184 HG SER 64 HG SER 64 -6.976 -13.317 -8.450 185 H GLN 65 HN GLN 65 -6.062 -11.272 -12.630 186 HE21 GLN 65 HE21 GLN 65 -1.931 -13.489 -14.718 187 HE22 GLN 65 HE22 GLN 65 -0.524 -12.494 -14.849 188 H THR 66 HN THR 66 -6.067 -8.747 -12.577 189 HG1 THR 66 HG1 THR 66 -8.254 -6.988 -13.415 190 H ALA 67 HN ALA 67 -5.994 -8.163 -10.363 191 H ARG 68 HN ARG 68 -2.683 -7.234 -8.730 192 HE ARG 68 HE ARG 68 -1.055 -8.887 -13.088 193 HH11 ARG 68 HH11 ARG 68 2.329 -8.311 -12.412 194 HH12 ARG 68 HH12 ARG 68 2.834 -8.533 -14.055 195 HH21 ARG 68 HH21 ARG 68 -0.398 -9.201 -15.266 196 HH22 ARG 68 HH22 ARG 68 1.283 -9.035 -15.681 197 H GLN 70 HN GLN 70 1.201 -8.785 -6.481 198 HE21 GLN 70 HE21 GLN 70 4.855 -6.440 -8.039 199 HE22 GLN 70 HE22 GLN 70 4.300 -5.926 -9.591 200 H ALA 71 HN ALA 71 0.126 -6.852 -6.406 201 H ALA 73 HN ALA 73 -5.705 -4.444 -6.278 202 H THR 74 HN THR 74 -5.652 -0.073 -7.245 203 HG1 THR 74 HG1 THR 74 -4.125 2.343 -7.166 204 H VAL 75 HN VAL 75 -8.341 0.966 -3.827 205 H GLY 76 HN GLY 76 -11.528 3.715 -5.109 206 H LEU 77 HN LEU 77 -11.668 5.629 -0.968 207 H ALA 78 HN ALA 78 -15.744 6.223 -0.934 208 H PHE 79 HN PHE 79 -16.433 9.323 2.246 209 H ARG 80 HN ARG 80 -20.606 8.372 2.816 210 HE ARG 80 HE ARG 80 -25.356 9.227 2.363 211 HH11 ARG 80 HH11 ARG 80 -26.036 10.042 -0.987 212 HH12 ARG 80 HH12 ARG 80 -27.159 8.740 -1.204 213 HH21 ARG 80 HH21 ARG 80 -26.824 7.504 2.074 214 HH22 ARG 80 HH22 ARG 80 -27.642 7.324 0.544 215 H ALA 81 HN ALA 81 -20.009 12.065 4.212 216 H ASP 82 HN ASP 82 -23.138 13.391 6.981 217 H ASP 83 HN ASP 83 -23.169 17.790 5.578 218 H THR 84 HN THR 84 -20.582 17.291 5.390 219 HG1 THR 84 HG1 THR 84 -19.877 16.140 7.445 220 H PHE 85 HN PHE 85 -16.993 19.107 4.645 221 H GLU 86 HN GLU 86 -15.544 17.133 4.110 222 H ALA 87 HN ALA 87 -16.826 15.040 2.856 223 H LEU 88 HN LEU 88 -16.754 15.669 0.259 224 H CYS 89 HN CYS 89 -14.599 15.206 -0.376 225 HG CYS 89 HG CYS 89 -14.080 17.499 0.202 226 H ILE 90 HN ILE 90 -13.562 13.163 -0.562 227 H GLU 91 HN GLU 91 -13.939 12.682 -3.138 228 H PHE 93 HN PHE 93 -15.420 10.604 -7.467 229 H SER 94 HN SER 94 -15.620 12.953 -7.937 230 HG SER 94 HG SER 94 -18.739 15.489 -9.003 231 H SER 95 HN SER 95 -14.192 14.065 -7.353 232 HG SER 95 HG SER 95 -13.804 15.908 -4.846 233 H GLU 98 HN GLU 98 -6.354 11.634 -5.015 234 H LEU 99 HN LEU 99 -2.808 13.868 -6.215 235 H ASP 101 HN ASP 101 2.327 17.018 -6.073 236 H VAL 102 HN VAL 102 4.981 16.706 -6.157 237 H MET 103 HN MET 103 5.031 14.288 -7.002 238 H LYS 104 HN LYS 104 5.863 13.650 -9.837 239 HZ1 LYS 104 HZ1 LYS 104 1.441 15.960 -15.035 240 HZ2 LYS 104 HZ2 LYS 104 0.139 14.962 -15.438 241 HZ3 LYS 104 HZ3 LYS 104 1.584 14.282 -14.888 242 H GLN 106 HN GLN 106 6.391 10.552 -13.532 243 HE21 GLN 106 HE21 GLN 106 8.963 11.646 -9.062 244 HE22 GLN 106 HE22 GLN 106 8.284 10.807 -7.709 245 H ASP 107 HN ASP 107 9.323 7.233 -13.847 246 H SER 108 HN SER 108 7.104 4.044 -16.145 247 HG SER 108 HG SER 108 6.406 2.763 -17.065 248 H GLY 109 HN GLY 109 5.643 1.894 -12.480 249 H SER 110 HN SER 110 7.121 -1.882 -11.216 250 HG SER 110 HG SER 110 7.166 -3.266 -10.159 251 H SER 111 HN SER 111 5.140 -2.292 -10.368 252 HG SER 111 HG SER 111 3.836 -4.232 -7.361 253 H ALA 112 HN ALA 112 0.617 -2.933 -10.121 254 H ASN 113 HN ASN 113 -0.025 1.337 -11.567 255 HD21 ASN 113 HD21 ASN 113 0.283 4.802 -8.783 256 HD22 ASN 113 HD22 ASN 113 -1.012 5.872 -8.367 257 H GLU 114 HN GLU 114 2.160 0.980 -9.985 258 H GLN 115 HN GLN 115 5.221 3.926 -8.443 259 HE21 GLN 115 HE21 GLN 115 3.940 8.795 -10.906 260 HE22 GLN 115 HE22 GLN 115 3.429 9.778 -9.571 261 H ALA 116 HN ALA 116 7.795 5.090 -11.894 262 H VAL 117 HN VAL 117 10.641 5.853 -8.957 263 H GLN 118 HN GLN 118 12.179 9.041 -11.513 264 HE21 GLN 118 HE21 GLN 118 14.819 5.935 -13.061 265 HE22 GLN 118 HE22 GLN 118 13.384 4.997 -13.284 266 H1 VAL 1 HN VAL 1 -2.847 -5.130 11.652 267 H LYS 2 HN LYS 2 -1.956 -0.905 12.860 268 HZ1 LYS 2 HZ1 LYS 2 -5.221 6.569 13.339 269 HZ2 LYS 2 HZ2 LYS 2 -6.106 5.135 13.214 270 HZ3 LYS 2 HZ3 LYS 2 -5.892 6.121 11.847 271 H LEU 3 HN LEU 3 -0.714 0.876 9.261 272 H ILE 4 HN ILE 4 1.755 3.898 11.196 273 H SER 5 HN SER 5 1.638 6.890 8.015 274 HG SER 5 HG SER 5 1.924 6.499 6.011 275 H SER 6 HN SER 6 5.694 8.957 7.763 276 HG SER 6 HG SER 6 7.240 9.823 6.940 277 H ASP 7 HN ASP 7 3.830 10.370 6.303 278 H GLY 8 HN GLY 8 1.890 10.831 7.703 279 H HIS 9 HN HIS 9 0.519 9.338 6.465 280 HD1 HIS 9 HD1 HIS 9 -2.184 6.271 2.905 281 H GLU 10 HN GLU 10 -3.236 6.829 6.288 282 H PHE 11 HN PHE 11 -1.159 3.317 7.569 283 H ILE 12 HN ILE 12 -3.967 0.564 5.848 284 H VAL 13 HN VAL 13 -2.703 -2.925 8.137 285 H LYS 14 HN LYS 14 -3.681 -6.314 5.333 286 HZ1 LYS 14 HZ1 LYS 14 -8.327 -13.163 4.130 287 HZ2 LYS 14 HZ2 LYS 14 -6.664 -13.015 3.839 288 HZ3 LYS 14 HZ3 LYS 14 -7.768 -12.083 2.951 289 H ARG 15 HN ARG 15 -5.525 -8.565 8.864 290 HE ARG 15 HE ARG 15 -4.156 -11.244 14.634 291 HH11 ARG 15 HH11 ARG 15 -7.468 -12.195 14.054 292 HH12 ARG 15 HH12 ARG 15 -7.625 -13.065 15.542 293 HH21 ARG 15 HH21 ARG 15 -4.347 -12.387 16.611 294 HH22 ARG 15 HH22 ARG 15 -5.840 -13.181 17.001 295 H GLU 16 HN GLU 16 -4.841 -11.234 8.042 296 H HIS 17 HN HIS 17 -2.606 -10.891 6.159 297 HE2 HIS 17 HE2 HIS 17 -3.585 -11.588 1.282 298 H ALA 18 HN ALA 18 -1.101 -9.573 7.657 299 H LEU 19 HN LEU 19 -0.331 -11.272 9.648 300 H THR 20 HN THR 20 1.332 -13.160 8.467 301 HG1 THR 20 HG1 THR 20 0.851 -14.377 6.408 302 H SER 21 HN SER 21 3.257 -11.420 7.826 303 HG SER 21 HG SER 21 3.080 -9.985 6.357 304 H GLY 22 HN GLY 22 4.322 -10.954 10.104 305 H THR 23 HN THR 23 5.958 -12.890 10.283 306 HG1 THR 23 HG1 THR 23 4.997 -14.396 11.175 307 H ILE 24 HN ILE 24 8.161 -12.483 9.609 308 H LYS 25 HN LYS 25 12.736 -12.485 9.259 309 HZ1 LYS 25 HZ1 LYS 25 20.079 -10.461 12.717 310 HZ2 LYS 25 HZ2 LYS 25 19.719 -10.702 11.084 311 HZ3 LYS 25 HZ3 LYS 25 19.586 -11.986 12.175 312 H ALA 26 HN ALA 26 11.603 -9.459 11.694 313 H MET 27 HN MET 27 12.227 -5.050 11.018 314 H LEU 28 HN LEU 28 11.556 -6.211 13.810 315 H SER 29 HN SER 29 12.837 -6.347 15.983 316 HG SER 29 HG SER 29 13.866 -8.897 17.089 317 H GLY 30 HN GLY 30 13.349 -3.853 16.383 318 H GLY 32 HN GLY 32 13.718 0.943 21.666 319 H GLN 33 HN GLN 33 11.600 -0.131 23.152 320 HE21 GLN 33 HE21 GLN 33 8.271 -4.380 27.285 321 HE22 GLN 33 HE22 GLN 33 8.291 -3.559 28.809 322 H PHE 34 HN PHE 34 9.451 -3.549 22.325 323 H ALA 35 HN ALA 35 6.242 -1.133 22.585 324 H GLU 36 HN GLU 36 2.622 -3.657 23.946 325 H ASN 37 HN ASN 37 1.308 -1.575 22.906 326 HD21 ASN 37 HD21 ASN 37 -1.345 2.395 21.350 327 HD22 ASN 37 HD22 ASN 37 -2.799 2.285 22.282 328 H GLU 38 HN GLU 38 2.596 -0.608 21.002 329 H THR 39 HN THR 39 2.296 -2.329 19.295 330 HG1 THR 39 HG1 THR 39 3.642 -3.867 19.055 331 H ASN 40 HN ASN 40 0.213 -1.675 18.216 332 HD21 ASN 40 HD21 ASN 40 -1.799 -3.219 19.662 333 HD22 ASN 40 HD22 ASN 40 -3.328 -4.029 19.739 334 H GLU 41 HN GLU 41 -0.293 0.429 17.167 335 H VAL 42 HN VAL 42 1.204 0.955 13.616 336 H ASN 43 HN ASN 43 4.168 3.743 15.222 337 HD21 ASN 43 HD21 ASN 43 1.945 7.570 14.690 338 HD22 ASN 43 HD22 ASN 43 2.522 9.122 14.184 339 H PHE 44 HN PHE 44 4.758 5.615 11.390 340 H ARG 45 HN ARG 45 8.287 7.341 12.275 341 HE ARG 45 HE ARG 45 5.743 9.974 15.196 342 HH11 ARG 45 HH11 ARG 45 8.121 12.283 16.309 343 HH12 ARG 45 HH12 ARG 45 7.332 12.565 17.828 344 HH21 ARG 45 HH21 ARG 45 4.698 10.320 17.215 345 HH22 ARG 45 HH22 ARG 45 5.397 11.428 18.354 346 H GLU 46 HN GLU 46 9.140 10.818 9.425 347 H ILE 47 HN ILE 47 9.001 8.966 7.754 348 H SER 49 HN SER 49 5.024 9.109 2.922 349 HG SER 49 HG SER 49 3.412 9.805 2.414 350 H HIS 50 HN HIS 50 4.847 8.192 0.382 351 HE2 HIS 50 HE2 HIS 50 3.526 7.734 -6.185 352 H VAL 51 HN VAL 51 7.155 6.385 -0.045 353 H LEU 52 HN LEU 52 6.375 4.664 1.580 354 H SER 53 HN SER 53 4.311 3.294 0.662 355 HG SER 53 HG SER 53 3.726 3.829 -1.335 356 H LYS 54 HN LYS 54 5.595 1.582 -1.011 357 HZ1 LYS 54 HZ1 LYS 54 8.412 -1.303 -6.576 358 HZ2 LYS 54 HZ2 LYS 54 8.499 -2.367 -5.259 359 HZ3 LYS 54 HZ3 LYS 54 9.693 -2.408 -6.451 360 H VAL 55 HN VAL 55 6.699 -0.078 0.543 361 H CYS 56 HN CYS 56 4.823 -1.363 1.850 362 HG CYS 56 HG CYS 56 3.881 -1.260 4.406 363 H MET 57 HN MET 57 3.813 -2.692 -0.296 364 H TYR 58 HN TYR 58 5.762 -4.383 -0.938 365 HH TYR 58 HH TYR 58 12.862 -9.147 -2.096 366 H PHE 59 HN PHE 59 5.848 -5.940 1.194 367 H THR 60 HN THR 60 3.459 -7.228 1.169 368 HG1 THR 60 HG1 THR 60 1.673 -6.386 1.255 369 H TYR 61 HN TYR 61 3.837 -8.609 -1.089 370 HH TYR 61 HH TYR 61 7.152 -12.942 -7.710 371 H LYS 62 HN LYS 62 5.782 -10.284 -0.347 372 HZ1 LYS 62 HZ1 LYS 62 12.643 -12.767 -1.817 373 HZ2 LYS 62 HZ2 LYS 62 11.936 -11.234 -1.719 374 HZ3 LYS 62 HZ3 LYS 62 11.214 -12.444 -2.667 375 H VAL 63 HN VAL 63 4.474 -11.852 1.336 376 H ARG 64 HN ARG 64 2.757 -13.299 -0.180 377 HE ARG 64 HE ARG 64 -2.372 -13.614 -0.129 378 HH11 ARG 64 HH11 ARG 64 -2.350 -16.343 -2.325 379 HH12 ARG 64 HH12 ARG 64 -4.077 -16.359 -2.526 380 HH21 ARG 64 HH21 ARG 64 -4.648 -13.627 -0.391 381 HH22 ARG 64 HH22 ARG 64 -5.378 -14.830 -1.431 382 H TYR 65 HN TYR 65 4.368 -14.376 -1.833 383 HH TYR 65 HH TYR 65 11.218 -16.544 -6.466 384 H THR 66 HN THR 66 5.957 -16.074 -0.274 385 HG1 THR 66 HG1 THR 66 7.505 -15.515 0.919 386 H ASN 67 HN ASN 67 4.561 -18.996 -0.898 387 HD21 ASN 67 HD21 ASN 67 -0.003 -18.018 1.513 388 HD22 ASN 67 HD22 ASN 67 -0.839 -19.383 2.164 389 H SER 68 HN SER 68 2.338 -18.919 -1.587 390 HG SER 68 HG SER 68 -0.476 -20.127 -0.775 391 H SER 69 HN SER 69 2.454 -18.208 -3.335 392 HG SER 69 HG SER 69 0.938 -17.013 -5.625 393 H THR 70 HN THR 70 4.285 -20.377 -4.692 394 HG1 THR 70 HG1 THR 70 5.955 -19.968 -2.724 395 H GLU 71 HN GLU 71 4.778 -20.219 -7.147 396 H ILE 72 HN ILE 72 6.046 -18.767 -8.301 397 H GLU 74 HN GLU 74 11.704 -14.599 -9.018 398 H PHE 75 HN PHE 75 10.553 -10.995 -6.417 399 H ILE 77 HN ILE 77 13.380 -7.898 -11.455 400 H ALA 78 HN ALA 78 12.312 -4.839 -11.791 401 H GLU 80 HN GLU 80 14.181 1.112 -11.023 402 H ILE 81 HN ILE 81 13.401 0.541 -7.627 403 H ALA 82 HN ALA 82 14.467 -0.101 -5.874 404 H LEU 83 HN LEU 83 16.330 0.388 -4.648 405 H GLU 84 HN GLU 84 15.965 2.405 -3.344 406 H LEU 85 HN LEU 85 14.855 1.650 -1.103 407 H LEU 86 HN LEU 86 16.514 0.465 0.098 408 H MET 87 HN MET 87 17.870 2.390 1.050 409 H ALA 88 HN ALA 88 17.241 2.777 3.654 410 H ALA 89 HN ALA 89 18.761 1.225 5.056 411 H ASN 90 HN ASN 90 19.127 1.512 8.810 412 HD21 ASN 90 HD21 ASN 90 18.274 1.281 13.711 413 HD22 ASN 90 HD22 ASN 90 18.907 -0.120 14.500 414 H PHE 91 HN PHE 91 17.286 -0.897 8.005 Start of MODEL 19 1 H1 GLY 6 HT1 GLY 6 17.649 -3.458 9.687 2 H2 GLY 6 HT2 GLY 6 17.127 -3.622 8.083 3 H3 GLY 6 HT3 GLY 6 18.771 -3.373 8.421 4 H SER 7 HN SER 7 15.609 -5.740 8.803 5 HG SER 7 HG SER 7 13.569 -4.970 8.272 6 H LEU 8 HN LEU 8 14.469 -4.570 6.258 7 H GLN 9 HN GLN 9 16.945 -4.289 5.403 8 HE21 GLN 9 HE21 GLN 9 22.175 -1.456 5.940 9 HE22 GLN 9 HE22 GLN 9 22.406 -1.809 7.613 10 H TYR 10 HN TYR 10 17.543 -6.551 4.148 11 HH TYR 10 HH TYR 10 19.284 -14.237 0.829 12 H LEU 11 HN LEU 11 16.016 -7.368 3.016 13 H ALA 12 HN ALA 12 15.855 -5.551 0.978 14 H LEU 13 HN LEU 13 17.895 -6.060 -0.527 15 H ALA 14 HN ALA 14 17.105 -8.216 -1.588 16 H ALA 15 HN ALA 15 15.690 -7.540 -3.320 17 H LEU 16 HN LEU 16 16.200 -5.939 -4.995 18 H ILE 17 HN ILE 17 18.799 -6.124 -8.188 19 H LYS 18 HN LYS 18 20.486 -2.881 -6.433 20 HZ1 LYS 18 HZ1 LYS 18 17.934 4.013 -8.226 21 HZ2 LYS 18 HZ2 LYS 18 18.005 4.131 -6.529 22 HZ3 LYS 18 HZ3 LYS 18 17.113 2.888 -7.255 23 H LYS 20 HN LYS 20 23.331 1.057 -7.789 24 HZ1 LYS 20 HZ1 LYS 20 21.340 5.426 -13.552 25 HZ2 LYS 20 HZ2 LYS 20 22.660 4.765 -12.729 26 HZ3 LYS 20 HZ3 LYS 20 21.815 6.069 -12.055 27 H GLN 21 HN GLN 21 25.022 5.264 -7.983 28 HE21 GLN 21 HE21 GLN 21 29.895 4.741 -6.066 29 HE22 GLN 21 HE22 GLN 21 29.869 4.613 -4.339 30 H ILE 22 HN ILE 22 25.941 5.929 -3.520 31 H LYS 23 HN LYS 23 23.039 8.790 -3.051 32 HZ1 LYS 23 HZ1 LYS 23 27.122 14.388 -2.292 33 HZ2 LYS 23 HZ2 LYS 23 27.248 15.866 -3.115 34 HZ3 LYS 23 HZ3 LYS 23 27.352 14.409 -3.975 35 H LEU 26 HN LEU 26 17.309 13.384 -2.356 36 H SER 28 HN SER 28 14.761 17.964 -2.407 37 HG SER 28 HG SER 28 15.336 18.263 -5.202 38 H VAL 29 HN VAL 29 13.119 16.085 -3.087 39 H ARG 30 HN ARG 30 11.763 12.710 -3.621 40 HE ARG 30 HE ARG 30 8.424 12.947 -0.261 41 HH11 ARG 30 HH11 ARG 30 5.819 10.607 -0.374 42 HH12 ARG 30 HH12 ARG 30 5.092 11.153 1.110 43 HH21 ARG 30 HH21 ARG 30 7.451 13.681 1.676 44 HH22 ARG 30 HH22 ARG 30 5.999 12.909 2.261 45 H LYS 31 HN LYS 31 14.121 11.895 -2.609 46 HZ1 LYS 31 HZ1 LYS 31 17.586 6.861 -6.141 47 HZ2 LYS 31 HZ2 LYS 31 17.949 8.520 -6.205 48 HZ3 LYS 31 HZ3 LYS 31 18.435 7.499 -7.463 49 H LEU 32 HN LEU 32 16.696 8.437 -3.070 50 H THR 33 HN THR 33 20.432 11.117 -3.051 51 HG1 THR 33 HG1 THR 33 20.760 13.311 -2.925 52 H GLU 34 HN GLU 34 21.629 11.125 -7.476 53 H ASP 35 HN ASP 35 25.260 9.774 -6.144 54 H ARG 36 HN ARG 36 27.194 10.847 -4.701 55 HE ARG 36 HE ARG 36 30.029 8.259 -2.503 56 HH11 ARG 36 HH11 ARG 36 32.605 6.044 -3.348 57 HH12 ARG 36 HH12 ARG 36 31.879 4.695 -2.535 58 HH21 ARG 36 HH21 ARG 36 29.094 6.514 -1.408 59 HH22 ARG 36 HH22 ARG 36 29.881 4.968 -1.405 60 H TRP 37 HN TRP 37 29.203 11.766 -3.222 61 HE1 TRP 37 HE1 TRP 37 28.419 7.476 1.895 62 H1 MET 1 HT1 MET 1 -7.713 -15.647 -8.917 63 H2 MET 1 HT2 MET 1 -8.248 -17.187 -9.371 64 H3 MET 1 HT3 MET 1 -7.309 -16.998 -7.978 65 H ASP 2 HN ASP 2 -7.053 -15.539 -6.904 66 H VAL 3 HN VAL 3 -8.478 -12.262 -4.092 67 H PHE 4 HN PHE 4 -6.439 -8.899 -5.580 68 H LEU 5 HN LEU 5 -7.324 -6.315 -2.299 69 H MET 6 HN MET 6 -7.291 -1.973 -3.338 70 H ILE 7 HN ILE 7 -8.347 -0.891 0.439 71 H ARG 8 HN ARG 8 -9.173 3.106 -1.118 72 HE ARG 8 HE ARG 8 -5.252 8.432 -0.285 73 HH11 ARG 8 HH11 ARG 8 -3.802 7.014 -3.135 74 HH12 ARG 8 HH12 ARG 8 -3.059 8.493 -3.654 75 HH21 ARG 8 HH21 ARG 8 -4.259 10.397 -0.966 76 HH22 ARG 8 HH22 ARG 8 -3.338 10.417 -2.434 77 H ARG 9 HN ARG 9 -8.910 5.205 2.508 78 HE ARG 9 HE ARG 9 -10.078 7.676 6.255 79 HH11 ARG 9 HH11 ARG 9 -12.541 10.060 5.521 80 HH12 ARG 9 HH12 ARG 9 -11.560 11.421 5.969 81 HH21 ARG 9 HH21 ARG 9 -8.790 9.452 6.873 82 HH22 ARG 9 HH22 ARG 9 -9.419 11.064 6.745 83 H HIS 10 HN HIS 10 -9.285 8.184 0.421 84 HE2 HIS 10 HE2 HIS 10 -6.511 14.484 0.141 85 H LYS 11 HN LYS 11 -7.528 9.655 3.671 86 HZ1 LYS 11 HZ1 LYS 11 -3.529 14.716 1.196 87 HZ2 LYS 11 HZ2 LYS 11 -3.614 13.069 0.830 88 HZ3 LYS 11 HZ3 LYS 11 -2.368 13.657 1.819 89 H THR 12 HN THR 12 -7.309 7.621 4.083 90 HG1 THR 12 HG1 THR 12 -7.298 7.238 7.372 91 H THR 13 HN THR 13 -4.716 4.338 4.389 92 HG1 THR 13 HG1 THR 13 -3.238 4.427 0.970 93 H ILE 14 HN ILE 14 -7.268 1.265 2.641 94 H PHE 15 HN PHE 15 -5.268 -2.378 4.035 95 H THR 16 HN THR 16 -7.023 -4.584 0.535 96 HG1 THR 16 HG1 THR 16 -8.863 -3.739 1.761 97 H ASP 17 HN ASP 17 -8.042 -8.334 2.269 98 H ALA 18 HN ALA 18 -9.130 -9.940 -1.371 99 H LYS 19 HN LYS 19 -12.678 -12.416 -1.897 100 HZ1 LYS 19 HZ1 LYS 19 -8.670 -13.415 -1.521 101 HZ2 LYS 19 HZ2 LYS 19 -7.399 -14.533 -1.615 102 HZ3 LYS 19 HZ3 LYS 19 -7.822 -13.850 -0.118 103 H GLU 20 HN GLU 20 -12.125 -14.310 -5.890 104 H SER 21 HN SER 21 -14.650 -14.940 -5.149 105 HG SER 21 HG SER 21 -15.313 -17.623 -4.369 106 H SER 22 HN SER 22 -15.699 -12.810 -4.096 107 HG SER 22 HG SER 22 -15.551 -13.416 -1.793 108 H THR 23 HN THR 23 -19.096 -10.562 -2.020 109 HG1 THR 23 HG1 THR 23 -20.801 -10.142 -1.502 110 H VAL 24 HN VAL 24 -19.858 -6.702 -4.324 111 H PHE 25 HN PHE 25 -21.121 -5.906 -2.182 112 H GLU 26 HN GLU 26 -20.066 -7.335 -0.223 113 H LEU 27 HN LEU 27 -17.781 -6.144 0.174 114 H LYS 28 HN LYS 28 -18.198 -3.803 1.349 115 HZ1 LYS 28 HZ1 LYS 28 -22.196 -0.052 -1.268 116 HZ2 LYS 28 HZ2 LYS 28 -21.398 1.193 -2.100 117 HZ3 LYS 28 HZ3 LYS 28 -21.971 1.462 -0.533 118 H ARG 29 HN ARG 29 -18.904 -4.774 3.660 119 HE ARG 29 HE ARG 29 -21.226 -7.764 7.224 120 HH11 ARG 29 HH11 ARG 29 -22.011 -10.021 4.663 121 HH12 ARG 29 HH12 ARG 29 -21.787 -11.422 5.664 122 HH21 ARG 29 HH21 ARG 29 -20.924 -9.600 8.531 123 HH22 ARG 29 HH22 ARG 29 -21.167 -11.180 7.858 124 H ILE 30 HN ILE 30 -16.691 -5.480 4.830 125 H VAL 31 HN VAL 31 -15.378 -3.315 5.191 126 H GLU 32 HN GLU 32 -16.931 -2.313 7.082 127 H GLY 33 HN GLY 33 -15.996 -3.413 9.370 128 H ILE 34 HN ILE 34 -13.938 -2.292 9.734 129 H LEU 35 HN LEU 35 -13.342 0.168 9.467 130 H LYS 36 HN LYS 36 -14.884 0.464 11.177 131 HZ1 LYS 36 HZ1 LYS 36 -13.625 1.107 18.309 132 HZ2 LYS 36 HZ2 LYS 36 -12.327 1.400 17.271 133 HZ3 LYS 36 HZ3 LYS 36 -12.473 -0.096 18.035 134 H ARG 37 HN ARG 37 -17.058 1.663 9.921 135 HE ARG 37 HE ARG 37 -14.762 6.799 9.977 136 HH11 ARG 37 HH11 ARG 37 -17.932 8.116 10.606 137 HH12 ARG 37 HH12 ARG 37 -17.351 9.721 10.911 138 HH21 ARG 37 HH21 ARG 37 -13.977 8.916 10.372 139 HH22 ARG 37 HH22 ARG 37 -15.092 10.176 10.799 140 H ASP 40 HN ASP 40 -23.899 1.858 5.649 141 H GLU 41 HN GLU 41 -23.052 4.247 5.006 142 H GLN 42 HN GLN 42 -21.588 3.725 3.255 143 HE21 GLN 42 HE21 GLN 42 -18.866 1.468 6.316 144 HE22 GLN 42 HE22 GLN 42 -17.944 0.061 5.916 145 H ARG 43 HN ARG 43 -18.524 5.325 0.385 146 HE ARG 43 HE ARG 43 -23.819 6.903 -2.434 147 HH11 ARG 43 HH11 ARG 43 -22.521 4.438 -0.302 148 HH12 ARG 43 HH12 ARG 43 -23.880 4.492 0.782 149 HH21 ARG 43 HH21 ARG 43 -25.590 6.966 -1.019 150 HH22 ARG 43 HH22 ARG 43 -25.626 5.921 0.370 151 H LEU 44 HN LEU 44 -18.768 2.598 -2.758 152 H TYR 45 HN TYR 45 -14.875 3.863 -4.350 153 HH TYR 45 HH TYR 45 -19.719 9.199 -5.009 154 H LYS 46 HN LYS 46 -15.189 2.468 -8.388 155 HZ1 LYS 46 HZ1 LYS 46 -13.029 -3.299 -12.063 156 HZ2 LYS 46 HZ2 LYS 46 -11.426 -3.391 -12.602 157 HZ3 LYS 46 HZ3 LYS 46 -12.349 -2.006 -12.929 158 H ASP 47 HN ASP 47 -11.334 2.358 -10.377 159 H ASP 48 HN ASP 48 -12.332 4.636 -10.704 160 H GLN 49 HN GLN 49 -14.891 4.255 -11.027 161 HE21 GLN 49 HE21 GLN 49 -16.812 6.952 -13.327 162 HE22 GLN 49 HE22 GLN 49 -18.281 7.612 -13.960 163 H LEU 50 HN LEU 50 -19.299 4.409 -10.455 164 H LEU 51 HN LEU 51 -18.517 1.679 -6.901 165 H ASP 52 HN ASP 52 -20.161 -2.343 -8.430 166 H ASP 53 HN ASP 53 -23.243 -2.045 -5.397 167 H GLY 54 HN GLY 54 -24.427 -4.473 -5.908 168 H LYS 55 HN LYS 55 -22.779 -5.899 -6.935 169 HZ1 LYS 55 HZ1 LYS 55 -25.247 -4.494 -12.688 170 HZ2 LYS 55 HZ2 LYS 55 -24.514 -4.178 -11.194 171 HZ3 LYS 55 HZ3 LYS 55 -25.268 -5.667 -11.474 172 H THR 56 HN THR 56 -20.715 -9.630 -8.549 173 HG1 THR 56 HG1 THR 56 -20.018 -11.213 -9.142 174 H LEU 57 HN LEU 57 -16.788 -9.859 -6.190 175 H GLY 58 HN GLY 58 -15.586 -10.952 -8.444 176 H GLU 59 HN GLU 59 -17.246 -9.879 -10.337 177 H CYS 60 HN CYS 60 -16.684 -7.522 -10.398 178 HG CYS 60 HG CYS 60 -18.148 -6.628 -8.672 179 H GLY 61 HN GLY 61 -15.028 -7.208 -12.538 180 H PHE 62 HN PHE 62 -13.354 -7.337 -10.703 181 H THR 63 HN THR 63 -9.544 -8.232 -11.420 182 HG1 THR 63 HG1 THR 63 -9.326 -8.820 -13.631 183 H SER 64 HN SER 64 -7.787 -12.338 -10.958 184 HG SER 64 HG SER 64 -6.744 -13.253 -8.479 185 H GLN 65 HN GLN 65 -6.382 -10.628 -12.530 186 HE21 GLN 65 HE21 GLN 65 -3.708 -13.430 -15.568 187 HE22 GLN 65 HE22 GLN 65 -2.059 -12.927 -15.684 188 H THR 66 HN THR 66 -6.294 -8.196 -12.567 189 HG1 THR 66 HG1 THR 66 -7.527 -5.924 -14.158 190 H ALA 67 HN ALA 67 -6.097 -7.933 -10.332 191 H ARG 68 HN ARG 68 -2.843 -6.980 -8.180 192 HE ARG 68 HE ARG 68 -1.523 -8.985 -12.846 193 HH11 ARG 68 HH11 ARG 68 1.905 -8.316 -12.644 194 HH12 ARG 68 HH12 ARG 68 2.212 -8.702 -14.306 195 HH21 ARG 68 HH21 ARG 68 -1.124 -9.515 -15.034 196 HH22 ARG 68 HH22 ARG 68 0.488 -9.380 -15.664 197 H GLN 70 HN GLN 70 1.144 -8.533 -6.486 198 HE21 GLN 70 HE21 GLN 70 4.693 -10.032 -8.668 199 HE22 GLN 70 HE22 GLN 70 5.414 -9.359 -10.086 200 H ALA 71 HN ALA 71 0.159 -6.628 -6.462 201 H ALA 73 HN ALA 73 -5.698 -4.445 -6.326 202 H THR 74 HN THR 74 -5.806 -0.044 -7.074 203 HG1 THR 74 HG1 THR 74 -4.434 0.538 -5.609 204 H VAL 75 HN VAL 75 -8.603 1.032 -3.729 205 H GLY 76 HN GLY 76 -11.732 3.836 -5.120 206 H LEU 77 HN LEU 77 -11.806 5.599 -0.948 207 H ALA 78 HN ALA 78 -15.811 6.272 -1.172 208 H PHE 79 HN PHE 79 -16.044 8.924 2.261 209 H ARG 80 HN ARG 80 -20.303 8.287 2.929 210 HE ARG 80 HE ARG 80 -24.971 9.003 3.336 211 HH11 ARG 80 HH11 ARG 80 -26.302 9.545 0.139 212 HH12 ARG 80 HH12 ARG 80 -27.399 8.204 0.229 213 HH21 ARG 80 HH21 ARG 80 -26.387 7.210 3.452 214 HH22 ARG 80 HH22 ARG 80 -27.431 6.861 2.103 215 H ALA 81 HN ALA 81 -19.817 12.131 4.380 216 H ASP 82 HN ASP 82 -22.553 12.965 7.795 217 H ASP 83 HN ASP 83 -23.414 16.992 5.880 218 H THR 84 HN THR 84 -20.748 16.714 5.761 219 HG1 THR 84 HG1 THR 84 -19.740 16.337 7.870 220 H PHE 85 HN PHE 85 -17.401 19.045 4.726 221 H GLU 86 HN GLU 86 -15.872 16.966 4.162 222 H ALA 87 HN ALA 87 -16.715 14.863 2.803 223 H LEU 88 HN LEU 88 -16.917 15.568 0.179 224 H CYS 89 HN CYS 89 -14.496 15.197 -0.581 225 HG CYS 89 HG CYS 89 -12.084 17.937 0.744 226 H ILE 90 HN ILE 90 -13.690 13.106 -0.818 227 H GLU 91 HN GLU 91 -14.358 12.289 -2.944 228 H PHE 93 HN PHE 93 -15.208 10.272 -7.715 229 H SER 94 HN SER 94 -15.758 12.698 -7.640 230 HG SER 94 HG SER 94 -17.293 14.185 -5.501 231 H SER 95 HN SER 95 -13.965 13.924 -7.036 232 HG SER 95 HG SER 95 -13.782 15.728 -5.126 233 H GLU 98 HN GLU 98 -6.451 11.566 -5.233 234 H LEU 99 HN LEU 99 -2.910 13.773 -6.424 235 H ASP 101 HN ASP 101 1.975 16.942 -6.566 236 H VAL 102 HN VAL 102 4.656 16.693 -6.540 237 H MET 103 HN MET 103 4.980 14.239 -7.384 238 H LYS 104 HN LYS 104 5.032 14.057 -9.563 239 HZ1 LYS 104 HZ1 LYS 104 1.234 17.903 -12.182 240 HZ2 LYS 104 HZ2 LYS 104 -0.120 17.234 -12.955 241 HZ3 LYS 104 HZ3 LYS 104 1.045 18.061 -13.859 242 H GLN 106 HN GLN 106 6.492 10.697 -13.525 243 HE21 GLN 106 HE21 GLN 106 9.163 11.677 -8.786 244 HE22 GLN 106 HE22 GLN 106 8.516 10.754 -7.475 245 H ASP 107 HN ASP 107 9.555 7.506 -13.536 246 H SER 108 HN SER 108 7.144 4.619 -16.172 247 HG SER 108 HG SER 108 4.744 5.096 -15.982 248 H GLY 109 HN GLY 109 5.652 2.086 -12.702 249 H SER 110 HN SER 110 7.501 -1.888 -11.997 250 HG SER 110 HG SER 110 7.346 -3.418 -10.793 251 H SER 111 HN SER 111 5.341 -2.348 -10.825 252 HG SER 111 HG SER 111 5.538 -2.845 -8.957 253 H ALA 112 HN ALA 112 0.827 -3.014 -10.378 254 H ASN 113 HN ASN 113 0.330 1.093 -12.075 255 HD21 ASN 113 HD21 ASN 113 0.293 4.620 -8.125 256 HD22 ASN 113 HD22 ASN 113 -0.615 5.999 -8.639 257 H GLU 114 HN GLU 114 2.497 1.021 -10.655 258 H GLN 115 HN GLN 115 5.262 3.710 -8.286 259 HE21 GLN 115 HE21 GLN 115 4.420 9.178 -9.073 260 HE22 GLN 115 HE22 GLN 115 3.391 9.365 -7.698 261 H ALA 116 HN ALA 116 8.024 5.234 -11.391 262 H VAL 117 HN VAL 117 11.023 6.158 -8.684 263 H GLN 118 HN GLN 118 12.723 9.272 -11.494 264 HE21 GLN 118 HE21 GLN 118 13.621 6.202 -13.746 265 HE22 GLN 118 HE22 GLN 118 11.906 6.133 -13.530 266 H1 VAL 1 HN VAL 1 -3.125 -5.391 12.293 267 H LYS 2 HN LYS 2 -1.720 -1.353 12.918 268 HZ1 LYS 2 HZ1 LYS 2 -4.667 5.403 13.735 269 HZ2 LYS 2 HZ2 LYS 2 -6.078 4.883 12.957 270 HZ3 LYS 2 HZ3 LYS 2 -5.272 6.263 12.402 271 H LEU 3 HN LEU 3 -0.767 0.766 9.301 272 H ILE 4 HN ILE 4 2.084 3.705 11.062 273 H SER 5 HN SER 5 1.662 6.777 8.075 274 HG SER 5 HG SER 5 1.658 6.985 6.142 275 H SER 6 HN SER 6 5.734 8.785 7.565 276 HG SER 6 HG SER 6 7.098 9.259 9.199 277 H ASP 7 HN ASP 7 4.042 10.302 6.296 278 H GLY 8 HN GLY 8 2.019 10.663 7.492 279 H HIS 9 HN HIS 9 0.655 9.508 6.264 280 HD1 HIS 9 HD1 HIS 9 -2.236 6.249 3.196 281 H GLU 10 HN GLU 10 -3.169 7.163 6.293 282 H PHE 11 HN PHE 11 -1.546 3.263 7.811 283 H ILE 12 HN ILE 12 -4.122 0.463 5.828 284 H VAL 13 HN VAL 13 -2.692 -2.823 8.218 285 H LYS 14 HN LYS 14 -3.208 -6.327 5.379 286 HZ1 LYS 14 HZ1 LYS 14 -6.944 -12.985 3.072 287 HZ2 LYS 14 HZ2 LYS 14 -6.278 -13.855 4.367 288 HZ3 LYS 14 HZ3 LYS 14 -5.279 -12.906 3.381 289 H ARG 15 HN ARG 15 -5.145 -8.279 8.934 290 HE ARG 15 HE ARG 15 -3.767 -9.462 15.237 291 HH11 ARG 15 HH11 ARG 15 -5.919 -12.011 14.206 292 HH12 ARG 15 HH12 ARG 15 -5.641 -12.992 15.610 293 HH21 ARG 15 HH21 ARG 15 -3.394 -10.743 17.094 294 HH22 ARG 15 HH22 ARG 15 -4.208 -12.267 17.259 295 H GLU 16 HN GLU 16 -4.538 -11.046 8.369 296 H HIS 17 HN HIS 17 -2.471 -11.105 6.412 297 HE2 HIS 17 HE2 HIS 17 -3.563 -11.532 1.366 298 H ALA 18 HN ALA 18 -0.868 -9.805 7.852 299 H LEU 19 HN LEU 19 -0.075 -11.439 9.764 300 H THR 20 HN THR 20 1.517 -13.246 8.568 301 HG1 THR 20 HG1 THR 20 1.113 -14.620 6.043 302 H SER 21 HN SER 21 3.427 -11.577 7.883 303 HG SER 21 HG SER 21 3.284 -10.178 6.444 304 H GLY 22 HN GLY 22 4.494 -11.036 10.186 305 H THR 23 HN THR 23 6.139 -13.003 10.298 306 HG1 THR 23 HG1 THR 23 5.017 -14.584 11.006 307 H ILE 24 HN ILE 24 8.314 -12.682 9.618 308 H LYS 25 HN LYS 25 12.910 -12.668 9.460 309 HZ1 LYS 25 HZ1 LYS 25 20.097 -11.234 13.354 310 HZ2 LYS 25 HZ2 LYS 25 19.795 -11.752 11.774 311 HZ3 LYS 25 HZ3 LYS 25 19.368 -12.736 13.084 312 H ALA 26 HN ALA 26 11.595 -9.587 11.576 313 H MET 27 HN MET 27 11.818 -5.231 11.186 314 H LEU 28 HN LEU 28 11.404 -6.150 13.763 315 H SER 29 HN SER 29 12.632 -6.417 16.006 316 HG SER 29 HG SER 29 12.241 -8.301 18.392 317 H GLY 30 HN GLY 30 13.425 -3.959 16.278 318 H GLY 32 HN GLY 32 13.252 1.069 20.990 319 H GLN 33 HN GLN 33 11.507 0.159 24.009 320 HE21 GLN 33 HE21 GLN 33 7.200 -3.210 27.528 321 HE22 GLN 33 HE22 GLN 33 6.583 -1.880 28.446 322 H PHE 34 HN PHE 34 9.273 -3.483 22.687 323 H ALA 35 HN ALA 35 6.289 -1.305 22.818 324 H GLU 36 HN GLU 36 2.365 -3.651 23.557 325 H ASN 37 HN ASN 37 1.263 -1.244 22.859 326 HD21 ASN 37 HD21 ASN 37 1.692 3.397 22.203 327 HD22 ASN 37 HD22 ASN 37 0.324 4.434 22.019 328 H GLU 38 HN GLU 38 2.782 -0.239 20.940 329 H THR 39 HN THR 39 2.376 -1.777 19.302 330 HG1 THR 39 HG1 THR 39 3.770 -3.267 19.141 331 H ASN 40 HN ASN 40 0.135 -1.877 18.324 332 HD21 ASN 40 HD21 ASN 40 -3.177 -1.477 20.204 333 HD22 ASN 40 HD22 ASN 40 -3.360 -3.171 20.494 334 H GLU 41 HN GLU 41 -0.176 0.457 17.176 335 H VAL 42 HN VAL 42 1.335 0.927 13.742 336 H ASN 43 HN ASN 43 4.416 3.726 15.250 337 HD21 ASN 43 HD21 ASN 43 2.798 8.092 14.024 338 HD22 ASN 43 HD22 ASN 43 3.892 9.403 13.767 339 H PHE 44 HN PHE 44 4.974 5.666 11.406 340 H ARG 45 HN ARG 45 9.125 6.755 12.045 341 HE ARG 45 HE ARG 45 7.620 10.010 16.135 342 HH11 ARG 45 HH11 ARG 45 8.854 13.044 14.894 343 HH12 ARG 45 HH12 ARG 45 7.844 14.010 15.919 344 HH21 ARG 45 HH21 ARG 45 6.287 11.283 17.477 345 HH22 ARG 45 HH22 ARG 45 6.390 13.016 17.383 346 H GLU 46 HN GLU 46 9.804 10.576 9.717 347 H ILE 47 HN ILE 47 9.245 8.844 7.889 348 H SER 49 HN SER 49 4.904 9.135 2.897 349 HG SER 49 HG SER 49 3.256 9.806 2.198 350 H HIS 50 HN HIS 50 4.924 8.152 0.463 351 HE2 HIS 50 HE2 HIS 50 3.218 7.562 -5.860 352 H VAL 51 HN VAL 51 7.293 6.453 0.041 353 H LEU 52 HN LEU 52 6.608 4.715 1.841 354 H SER 53 HN SER 53 4.528 3.453 0.864 355 HG SER 53 HG SER 53 2.740 4.264 0.499 356 H LYS 54 HN LYS 54 5.610 1.751 -0.987 357 HZ1 LYS 54 HZ1 LYS 54 8.365 -1.416 -6.709 358 HZ2 LYS 54 HZ2 LYS 54 8.178 -2.373 -5.320 359 HZ3 LYS 54 HZ3 LYS 54 9.495 -2.628 -6.346 360 H VAL 55 HN VAL 55 6.792 0.069 0.540 361 H CYS 56 HN CYS 56 4.908 -1.240 1.916 362 HG CYS 56 HG CYS 56 3.689 -1.403 4.888 363 H MET 57 HN MET 57 3.843 -2.601 -0.156 364 H TYR 58 HN TYR 58 5.750 -4.237 -0.845 365 HH TYR 58 HH TYR 58 13.105 -8.686 -1.513 366 H PHE 59 HN PHE 59 5.914 -5.866 1.301 367 H THR 60 HN THR 60 3.518 -7.162 1.250 368 HG1 THR 60 HG1 THR 60 1.667 -6.332 1.425 369 H TYR 61 HN TYR 61 3.834 -8.462 -1.082 370 HH TYR 61 HH TYR 61 7.077 -12.712 -7.776 371 H LYS 62 HN LYS 62 5.867 -10.073 -0.532 372 HZ1 LYS 62 HZ1 LYS 62 13.040 -12.498 -1.352 373 HZ2 LYS 62 HZ2 LYS 62 12.309 -10.971 -1.340 374 HZ3 LYS 62 HZ3 LYS 62 11.698 -12.194 -2.343 375 H VAL 63 HN VAL 63 4.717 -11.723 1.278 376 H ARG 64 HN ARG 64 2.809 -13.150 -0.187 377 HE ARG 64 HE ARG 64 -2.306 -13.403 0.018 378 HH11 ARG 64 HH11 ARG 64 -2.163 -16.071 -2.251 379 HH12 ARG 64 HH12 ARG 64 -3.876 -16.065 -2.551 380 HH21 ARG 64 HH21 ARG 64 -4.560 -13.390 -0.376 381 HH22 ARG 64 HH22 ARG 64 -5.228 -14.552 -1.499 382 H TYR 65 HN TYR 65 4.406 -14.214 -1.992 383 HH TYR 65 HH TYR 65 11.344 -16.323 -6.565 384 H THR 66 HN THR 66 5.931 -16.007 -0.515 385 HG1 THR 66 HG1 THR 66 7.488 -15.460 0.625 386 H ASN 67 HN ASN 67 4.217 -17.966 -0.743 387 HD21 ASN 67 HD21 ASN 67 0.044 -19.402 -0.276 388 HD22 ASN 67 HD22 ASN 67 -0.865 -19.959 1.088 389 H SER 68 HN SER 68 2.386 -18.835 -1.833 390 HG SER 68 HG SER 68 -1.226 -19.618 -2.151 391 H SER 69 HN SER 69 2.383 -18.267 -3.473 392 HG SER 69 HG SER 69 0.678 -16.944 -5.931 393 H THR 70 HN THR 70 4.397 -20.345 -5.166 394 HG1 THR 70 HG1 THR 70 6.012 -19.889 -3.095 395 H GLU 71 HN GLU 71 4.816 -20.118 -7.480 396 H ILE 72 HN ILE 72 5.685 -18.428 -8.777 397 H GLU 74 HN GLU 74 11.869 -14.346 -8.779 398 H PHE 75 HN PHE 75 10.486 -10.732 -6.293 399 H ILE 77 HN ILE 77 13.142 -7.844 -11.999 400 H ALA 78 HN ALA 78 12.120 -4.609 -11.839 401 H GLU 80 HN GLU 80 13.789 1.446 -11.051 402 H ILE 81 HN ILE 81 13.092 1.751 -8.511 403 H ALA 82 HN ALA 82 15.334 1.156 -5.316 404 H LEU 83 HN LEU 83 16.888 0.424 -4.713 405 H GLU 84 HN GLU 84 16.419 2.447 -3.398 406 H LEU 85 HN LEU 85 15.062 1.763 -1.253 407 H LEU 86 HN LEU 86 16.690 0.571 0.067 408 H MET 87 HN MET 87 18.069 2.413 1.108 409 H ALA 88 HN ALA 88 17.095 2.754 3.594 410 H ALA 89 HN ALA 89 18.432 1.394 5.399 411 H ASN 90 HN ASN 90 17.904 1.980 9.029 412 HD21 ASN 90 HD21 ASN 90 17.782 2.703 13.373 413 HD22 ASN 90 HD22 ASN 90 17.798 1.438 14.551 414 H PHE 91 HN PHE 91 16.646 -0.852 8.146 Start of MODEL 20 1 H1 GLY 6 HT1 GLY 6 19.027 -3.227 9.081 2 H2 GLY 6 HT2 GLY 6 17.941 -3.384 7.785 3 H3 GLY 6 HT3 GLY 6 19.463 -4.133 7.722 4 H SER 7 HN SER 7 15.614 -5.491 8.893 5 HG SER 7 HG SER 7 13.776 -4.870 8.450 6 H LEU 8 HN LEU 8 14.483 -4.507 6.414 7 H GLN 9 HN GLN 9 16.863 -4.220 5.456 8 HE21 GLN 9 HE21 GLN 9 22.861 -2.336 5.189 9 HE22 GLN 9 HE22 GLN 9 23.183 -2.515 6.877 10 H TYR 10 HN TYR 10 17.542 -6.580 4.202 11 HH TYR 10 HH TYR 10 19.795 -14.051 0.544 12 H LEU 11 HN LEU 11 15.980 -7.343 3.060 13 H ALA 12 HN ALA 12 15.659 -5.562 1.047 14 H LEU 13 HN LEU 13 17.533 -6.291 -0.526 15 H ALA 14 HN ALA 14 16.779 -8.372 -1.821 16 H ALA 15 HN ALA 15 15.374 -7.339 -3.408 17 H LEU 16 HN LEU 16 16.012 -5.812 -5.029 18 H ILE 17 HN ILE 17 18.278 -6.053 -8.231 19 H LYS 18 HN LYS 18 20.138 -3.004 -6.399 20 HZ1 LYS 18 HZ1 LYS 18 17.973 4.892 -8.469 21 HZ2 LYS 18 HZ2 LYS 18 17.934 4.272 -6.893 22 HZ3 LYS 18 HZ3 LYS 18 16.995 3.559 -8.108 23 H LYS 20 HN LYS 20 23.996 0.922 -6.972 24 HZ1 LYS 20 HZ1 LYS 20 22.944 4.884 -12.350 25 HZ2 LYS 20 HZ2 LYS 20 21.537 5.620 -11.763 26 HZ3 LYS 20 HZ3 LYS 20 21.554 4.938 -13.315 27 H GLN 21 HN GLN 21 25.673 4.945 -7.735 28 HE21 GLN 21 HE21 GLN 21 30.262 3.704 -6.073 29 HE22 GLN 21 HE22 GLN 21 30.391 3.616 -4.353 30 H ILE 22 HN ILE 22 26.203 5.769 -3.255 31 H LYS 23 HN LYS 23 22.961 8.783 -2.926 32 HZ1 LYS 23 HZ1 LYS 23 27.271 13.774 -2.544 33 HZ2 LYS 23 HZ2 LYS 23 27.865 15.178 -3.280 34 HZ3 LYS 23 HZ3 LYS 23 27.792 13.736 -4.162 35 H LEU 26 HN LEU 26 16.752 13.085 -2.403 36 H SER 28 HN SER 28 14.652 18.163 -2.417 37 HG SER 28 HG SER 28 14.879 19.519 -4.902 38 H VAL 29 HN VAL 29 13.095 16.358 -3.200 39 H ARG 30 HN ARG 30 11.609 12.798 -3.341 40 HE ARG 30 HE ARG 30 8.413 13.963 -0.768 41 HH11 ARG 30 HH11 ARG 30 6.222 11.813 0.938 42 HH12 ARG 30 HH12 ARG 30 5.639 13.039 2.016 43 HH21 ARG 30 HH21 ARG 30 7.642 15.586 0.627 44 HH22 ARG 30 HH22 ARG 30 6.440 15.202 1.821 45 H LYS 31 HN LYS 31 13.977 11.963 -2.490 46 HZ1 LYS 31 HZ1 LYS 31 17.341 6.981 -6.407 47 HZ2 LYS 31 HZ2 LYS 31 17.572 8.665 -6.406 48 HZ3 LYS 31 HZ3 LYS 31 17.926 7.761 -7.795 49 H LEU 32 HN LEU 32 16.481 8.466 -2.850 50 H THR 33 HN THR 33 20.263 11.093 -3.219 51 HG1 THR 33 HG1 THR 33 20.506 13.333 -3.230 52 H GLU 34 HN GLU 34 21.699 11.299 -7.544 53 H ASP 35 HN ASP 35 25.455 9.243 -6.698 54 H ARG 36 HN ARG 36 27.460 10.420 -4.937 55 HE ARG 36 HE ARG 36 30.447 7.504 -2.962 56 HH11 ARG 36 HH11 ARG 36 33.757 6.468 -3.401 57 HH12 ARG 36 HH12 ARG 36 33.537 4.975 -2.547 58 HH21 ARG 36 HH21 ARG 36 30.145 5.538 -1.861 59 HH22 ARG 36 HH22 ARG 36 31.479 4.443 -1.667 60 H TRP 37 HN TRP 37 28.966 11.217 -3.449 61 HE1 TRP 37 HE1 TRP 37 29.521 10.954 3.931 62 H1 MET 1 HT1 MET 1 -9.336 -15.990 -8.572 63 H2 MET 1 HT2 MET 1 -9.242 -17.667 -8.822 64 H3 MET 1 HT3 MET 1 -7.905 -16.827 -8.228 65 H ASP 2 HN ASP 2 -8.532 -14.733 -7.025 66 H VAL 3 HN VAL 3 -8.424 -12.218 -4.085 67 H PHE 4 HN PHE 4 -6.359 -8.839 -5.619 68 H LEU 5 HN LEU 5 -7.468 -6.380 -2.439 69 H MET 6 HN MET 6 -7.184 -2.062 -3.672 70 H ILE 7 HN ILE 7 -8.015 -0.907 0.080 71 H ARG 8 HN ARG 8 -8.971 3.151 -1.352 72 HE ARG 8 HE ARG 8 -4.756 8.254 -0.128 73 HH11 ARG 8 HH11 ARG 8 -4.453 8.073 -3.618 74 HH12 ARG 8 HH12 ARG 8 -3.738 9.650 -3.758 75 HH21 ARG 8 HH21 ARG 8 -3.819 10.307 -0.310 76 HH22 ARG 8 HH22 ARG 8 -3.380 10.924 -1.871 77 H ARG 9 HN ARG 9 -8.713 5.091 2.253 78 HE ARG 9 HE ARG 9 -10.072 7.374 6.158 79 HH11 ARG 9 HH11 ARG 9 -12.329 9.874 5.159 80 HH12 ARG 9 HH12 ARG 9 -11.300 11.178 5.656 81 HH21 ARG 9 HH21 ARG 9 -8.730 9.072 6.813 82 HH22 ARG 9 HH22 ARG 9 -9.235 10.721 6.581 83 H HIS 10 HN HIS 10 -9.090 8.219 0.289 84 HE2 HIS 10 HE2 HIS 10 -6.338 14.503 0.225 85 H LYS 11 HN LYS 11 -7.333 9.663 3.637 86 HZ1 LYS 11 HZ1 LYS 11 -1.139 14.912 4.225 87 HZ2 LYS 11 HZ2 LYS 11 -0.901 13.552 5.203 88 HZ3 LYS 11 HZ3 LYS 11 -2.114 14.667 5.584 89 H THR 12 HN THR 12 -7.196 7.619 3.988 90 HG1 THR 12 HG1 THR 12 -7.383 7.286 7.374 91 H THR 13 HN THR 13 -4.697 4.420 4.585 92 HG1 THR 13 HG1 THR 13 -3.498 4.208 0.956 93 H ILE 14 HN ILE 14 -6.927 1.220 2.400 94 H PHE 15 HN PHE 15 -5.195 -2.331 3.904 95 H THR 16 HN THR 16 -7.008 -4.459 0.446 96 HG1 THR 16 HG1 THR 16 -8.804 -3.746 1.774 97 H ASP 17 HN ASP 17 -7.606 -8.269 2.169 98 H ALA 18 HN ALA 18 -8.920 -9.867 -1.401 99 H LYS 19 HN LYS 19 -12.483 -12.266 -1.842 100 HZ1 LYS 19 HZ1 LYS 19 -7.256 -14.405 -1.763 101 HZ2 LYS 19 HZ2 LYS 19 -7.736 -14.011 -0.186 102 HZ3 LYS 19 HZ3 LYS 19 -8.634 -13.454 -1.507 103 H GLU 20 HN GLU 20 -12.075 -13.931 -5.946 104 H SER 21 HN SER 21 -14.617 -14.821 -5.301 105 HG SER 21 HG SER 21 -15.181 -17.406 -4.252 106 H SER 22 HN SER 22 -15.603 -12.860 -3.793 107 HG SER 22 HG SER 22 -15.386 -13.288 -1.528 108 H THR 23 HN THR 23 -19.132 -10.588 -1.944 109 HG1 THR 23 HG1 THR 23 -20.863 -10.232 -1.384 110 H VAL 24 HN VAL 24 -19.928 -6.734 -4.255 111 H PHE 25 HN PHE 25 -21.154 -6.064 -2.082 112 H GLU 26 HN GLU 26 -20.104 -7.511 -0.175 113 H LEU 27 HN LEU 27 -17.849 -6.254 0.190 114 H LYS 28 HN LYS 28 -18.328 -4.052 1.468 115 HZ1 LYS 28 HZ1 LYS 28 -22.820 -0.604 -0.782 116 HZ2 LYS 28 HZ2 LYS 28 -22.304 0.872 -1.423 117 HZ3 LYS 28 HZ3 LYS 28 -22.857 0.796 0.173 118 H ARG 29 HN ARG 29 -18.896 -5.070 3.828 119 HE ARG 29 HE ARG 29 -20.978 -8.464 7.023 120 HH11 ARG 29 HH11 ARG 29 -22.004 -10.330 4.236 121 HH12 ARG 29 HH12 ARG 29 -22.179 -11.796 5.145 122 HH21 ARG 29 HH21 ARG 29 -21.229 -10.397 8.202 123 HH22 ARG 29 HH22 ARG 29 -21.741 -11.837 7.383 124 H ILE 30 HN ILE 30 -16.558 -5.699 4.814 125 H VAL 31 HN VAL 31 -15.212 -3.503 5.038 126 H GLU 32 HN GLU 32 -16.772 -2.366 6.913 127 H GLY 33 HN GLY 33 -15.953 -3.645 9.199 128 H ILE 34 HN ILE 34 -13.922 -2.200 9.732 129 H LEU 35 HN LEU 35 -13.478 0.044 9.482 130 H LYS 36 HN LYS 36 -15.031 0.370 11.312 131 HZ1 LYS 36 HZ1 LYS 36 -11.630 1.569 17.075 132 HZ2 LYS 36 HZ2 LYS 36 -11.678 0.120 17.951 133 HZ3 LYS 36 HZ3 LYS 36 -12.823 1.327 18.250 134 H ARG 37 HN ARG 37 -17.217 1.612 10.350 135 HE ARG 37 HE ARG 37 -14.022 5.911 10.103 136 HH11 ARG 37 HH11 ARG 37 -16.310 8.229 8.839 137 HH12 ARG 37 HH12 ARG 37 -15.365 9.609 9.290 138 HH21 ARG 37 HH21 ARG 37 -12.769 7.729 10.717 139 HH22 ARG 37 HH22 ARG 37 -13.352 9.324 10.360 140 H ASP 40 HN ASP 40 -23.759 1.647 5.835 141 H GLU 41 HN GLU 41 -22.844 3.951 4.985 142 H GLN 42 HN GLN 42 -21.542 3.468 2.970 143 HE21 GLN 42 HE21 GLN 42 -18.782 1.567 6.427 144 HE22 GLN 42 HE22 GLN 42 -17.988 0.056 6.162 145 H ARG 43 HN ARG 43 -18.250 5.169 0.450 146 HE ARG 43 HE ARG 43 -23.124 7.384 -1.300 147 HH11 ARG 43 HH11 ARG 43 -22.278 4.172 -0.190 148 HH12 ARG 43 HH12 ARG 43 -23.603 4.078 0.930 149 HH21 ARG 43 HH21 ARG 43 -24.850 7.255 0.182 150 HH22 ARG 43 HH22 ARG 43 -25.055 5.826 1.146 151 H LEU 44 HN LEU 44 -18.516 2.541 -2.822 152 H TYR 45 HN TYR 45 -14.692 3.799 -4.403 153 HH TYR 45 HH TYR 45 -19.509 9.234 -5.143 154 H LYS 46 HN LYS 46 -15.088 2.408 -8.440 155 HZ1 LYS 46 HZ1 LYS 46 -12.851 -2.080 -12.959 156 HZ2 LYS 46 HZ2 LYS 46 -11.271 -2.674 -13.020 157 HZ3 LYS 46 HZ3 LYS 46 -11.559 -1.107 -12.447 158 H ASP 47 HN ASP 47 -11.103 2.675 -10.135 159 H ASP 48 HN ASP 48 -12.154 5.060 -10.384 160 H GLN 49 HN GLN 49 -14.629 4.430 -11.079 161 HE21 GLN 49 HE21 GLN 49 -16.193 6.922 -13.426 162 HE22 GLN 49 HE22 GLN 49 -17.595 7.605 -14.171 163 H LEU 50 HN LEU 50 -19.071 4.533 -10.436 164 H LEU 51 HN LEU 51 -18.533 1.667 -6.922 165 H ASP 52 HN ASP 52 -20.178 -2.465 -8.043 166 H ASP 53 HN ASP 53 -23.588 -2.090 -5.461 167 H GLY 54 HN GLY 54 -24.767 -4.375 -6.141 168 H LYS 55 HN LYS 55 -22.846 -6.190 -6.510 169 HZ1 LYS 55 HZ1 LYS 55 -25.904 -5.072 -12.267 170 HZ2 LYS 55 HZ2 LYS 55 -25.084 -4.448 -10.924 171 HZ3 LYS 55 HZ3 LYS 55 -25.512 -6.087 -10.977 172 H THR 56 HN THR 56 -20.866 -9.706 -8.401 173 HG1 THR 56 HG1 THR 56 -20.240 -11.300 -8.899 174 H LEU 57 HN LEU 57 -16.877 -9.921 -6.182 175 H GLY 58 HN GLY 58 -15.965 -11.084 -8.423 176 H GLU 59 HN GLU 59 -17.573 -9.905 -10.239 177 H CYS 60 HN CYS 60 -16.931 -7.710 -10.449 178 HG CYS 60 HG CYS 60 -18.345 -6.617 -8.721 179 H GLY 61 HN GLY 61 -15.283 -7.626 -12.396 180 H PHE 62 HN PHE 62 -13.515 -7.709 -10.812 181 H THR 63 HN THR 63 -9.661 -8.493 -11.688 182 HG1 THR 63 HG1 THR 63 -9.275 -9.188 -14.088 183 H SER 64 HN SER 64 -7.727 -12.540 -11.236 184 HG SER 64 HG SER 64 -6.699 -13.315 -8.561 185 H GLN 65 HN GLN 65 -6.367 -10.787 -12.641 186 HE21 GLN 65 HE21 GLN 65 -2.661 -12.162 -14.085 187 HE22 GLN 65 HE22 GLN 65 -1.239 -11.529 -14.837 188 H THR 66 HN THR 66 -6.504 -8.513 -12.716 189 HG1 THR 66 HG1 THR 66 -7.813 -7.571 -11.252 190 H ALA 67 HN ALA 67 -5.939 -8.221 -10.448 191 H ARG 68 HN ARG 68 -2.664 -7.090 -8.271 192 HE ARG 68 HE ARG 68 -1.709 -7.921 -12.939 193 HH11 ARG 68 HH11 ARG 68 1.752 -8.426 -13.112 194 HH12 ARG 68 HH12 ARG 68 1.822 -8.252 -14.833 195 HH21 ARG 68 HH21 ARG 68 -1.626 -7.687 -15.206 196 HH22 ARG 68 HH22 ARG 68 -0.103 -7.832 -16.028 197 H GLN 70 HN GLN 70 1.383 -8.512 -6.537 198 HE21 GLN 70 HE21 GLN 70 5.213 -6.764 -8.937 199 HE22 GLN 70 HE22 GLN 70 3.986 -6.327 -10.069 200 H ALA 71 HN ALA 71 0.092 -6.657 -6.302 201 H ALA 73 HN ALA 73 -5.645 -4.418 -6.307 202 H THR 74 HN THR 74 -5.714 -0.110 -7.333 203 HG1 THR 74 HG1 THR 74 -4.161 1.023 -5.886 204 H VAL 75 HN VAL 75 -8.442 1.118 -3.975 205 H GLY 76 HN GLY 76 -11.567 3.828 -5.305 206 H LEU 77 HN LEU 77 -11.642 5.594 -1.106 207 H ALA 78 HN ALA 78 -15.758 6.180 -0.983 208 H PHE 79 HN PHE 79 -16.410 9.354 2.145 209 H ARG 80 HN ARG 80 -20.496 8.364 2.978 210 HE ARG 80 HE ARG 80 -25.145 9.108 2.949 211 HH11 ARG 80 HH11 ARG 80 -26.377 9.989 -0.217 212 HH12 ARG 80 HH12 ARG 80 -27.506 8.671 -0.288 213 HH21 ARG 80 HH21 ARG 80 -26.574 7.333 2.834 214 HH22 ARG 80 HH22 ARG 80 -27.599 7.142 1.438 215 H ALA 81 HN ALA 81 -20.202 12.334 4.326 216 H ASP 82 HN ASP 82 -23.155 13.314 7.280 217 H ASP 83 HN ASP 83 -23.104 17.546 5.600 218 H THR 84 HN THR 84 -20.613 16.761 5.836 219 HG1 THR 84 HG1 THR 84 -19.101 16.508 7.960 220 H PHE 85 HN PHE 85 -17.221 18.849 4.457 221 H GLU 86 HN GLU 86 -15.664 17.066 3.926 222 H ALA 87 HN ALA 87 -16.445 14.915 2.562 223 H LEU 88 HN LEU 88 -16.663 15.535 -0.078 224 H CYS 89 HN CYS 89 -14.225 15.648 -0.766 225 HG CYS 89 HG CYS 89 -12.425 18.641 -1.663 226 H ILE 90 HN ILE 90 -13.349 13.384 -0.960 227 H GLU 91 HN GLU 91 -14.283 12.439 -2.791 228 H PHE 93 HN PHE 93 -15.459 10.440 -7.493 229 H SER 94 HN SER 94 -15.544 12.774 -7.794 230 HG SER 94 HG SER 94 -17.468 13.828 -6.031 231 H SER 95 HN SER 95 -14.038 13.887 -7.328 232 HG SER 95 HG SER 95 -13.868 15.733 -5.258 233 H GLU 98 HN GLU 98 -6.595 11.819 -5.012 234 H LEU 99 HN LEU 99 -2.939 13.829 -6.407 235 H ASP 101 HN ASP 101 2.307 16.693 -6.530 236 H VAL 102 HN VAL 102 4.801 16.420 -6.549 237 H MET 103 HN MET 103 5.091 14.066 -7.442 238 H LYS 104 HN LYS 104 5.319 13.861 -9.701 239 HZ1 LYS 104 HZ1 LYS 104 0.771 17.173 -14.160 240 HZ2 LYS 104 HZ2 LYS 104 -0.540 16.133 -14.414 241 HZ3 LYS 104 HZ3 LYS 104 0.427 16.617 -15.719 242 H GLN 106 HN GLN 106 6.642 10.490 -13.689 243 HE21 GLN 106 HE21 GLN 106 9.042 11.389 -8.797 244 HE22 GLN 106 HE22 GLN 106 8.802 10.267 -7.504 245 H ASP 107 HN ASP 107 9.560 7.198 -13.765 246 H SER 108 HN SER 108 7.131 4.275 -16.307 247 HG SER 108 HG SER 108 5.304 3.444 -17.808 248 H GLY 109 HN GLY 109 5.743 1.950 -12.677 249 H SER 110 HN SER 110 7.134 -1.887 -11.465 250 HG SER 110 HG SER 110 7.045 -3.307 -10.420 251 H SER 111 HN SER 111 5.136 -2.339 -10.563 252 HG SER 111 HG SER 111 3.773 -4.211 -7.567 253 H ALA 112 HN ALA 112 0.613 -2.853 -10.196 254 H ASN 113 HN ASN 113 0.073 1.301 -11.912 255 HD21 ASN 113 HD21 ASN 113 0.334 4.777 -8.063 256 HD22 ASN 113 HD22 ASN 113 -0.703 6.109 -8.440 257 H GLU 114 HN GLU 114 2.361 1.204 -10.632 258 H GLN 115 HN GLN 115 5.090 3.975 -8.476 259 HE21 GLN 115 HE21 GLN 115 4.017 9.201 -9.293 260 HE22 GLN 115 HE22 GLN 115 3.004 9.180 -7.893 261 H ALA 116 HN ALA 116 7.946 5.217 -11.665 262 H VAL 117 HN VAL 117 10.963 6.144 -8.893 263 H GLN 118 HN GLN 118 12.922 9.200 -11.589 264 HE21 GLN 118 HE21 GLN 118 14.793 5.614 -12.767 265 HE22 GLN 118 HE22 GLN 118 13.232 5.014 -13.205 266 H1 VAL 1 HN VAL 1 -2.961 -5.300 12.501 267 H LYS 2 HN LYS 2 -1.690 -0.997 12.808 268 HZ1 LYS 2 HZ1 LYS 2 -4.867 4.573 14.474 269 HZ2 LYS 2 HZ2 LYS 2 -6.000 3.691 13.570 270 HZ3 LYS 2 HZ3 LYS 2 -5.569 5.253 13.083 271 H LEU 3 HN LEU 3 -0.556 0.633 9.150 272 H ILE 4 HN ILE 4 2.080 3.822 11.023 273 H SER 5 HN SER 5 1.684 6.672 8.053 274 HG SER 5 HG SER 5 1.838 6.704 6.016 275 H SER 6 HN SER 6 5.633 8.982 7.824 276 HG SER 6 HG SER 6 7.402 10.451 6.769 277 H ASP 7 HN ASP 7 3.810 10.324 6.432 278 H GLY 8 HN GLY 8 1.859 10.813 7.783 279 H HIS 9 HN HIS 9 0.543 9.218 6.567 280 HD1 HIS 9 HD1 HIS 9 -2.063 6.020 3.113 281 H GLU 10 HN GLU 10 -3.203 6.863 6.367 282 H PHE 11 HN PHE 11 -1.533 2.952 7.896 283 H ILE 12 HN ILE 12 -4.194 0.600 6.030 284 H VAL 13 HN VAL 13 -2.890 -2.997 8.169 285 H LYS 14 HN LYS 14 -3.713 -6.383 5.294 286 HZ1 LYS 14 HZ1 LYS 14 -8.687 -12.934 3.848 287 HZ2 LYS 14 HZ2 LYS 14 -7.001 -12.988 3.751 288 HZ3 LYS 14 HZ3 LYS 14 -7.885 -11.992 2.697 289 H ARG 15 HN ARG 15 -5.582 -8.700 8.774 290 HE ARG 15 HE ARG 15 -3.807 -10.366 14.652 291 HH11 ARG 15 HH11 ARG 15 -7.173 -11.297 14.748 292 HH12 ARG 15 HH12 ARG 15 -7.170 -11.616 16.453 293 HH21 ARG 15 HH21 ARG 15 -3.803 -10.768 16.918 294 HH22 ARG 15 HH22 ARG 15 -5.266 -11.304 17.685 295 H GLU 16 HN GLU 16 -4.882 -11.213 7.804 296 H HIS 17 HN HIS 17 -2.551 -10.815 6.258 297 HE2 HIS 17 HE2 HIS 17 -3.243 -11.474 1.246 298 H ALA 18 HN ALA 18 -1.077 -9.530 7.664 299 H LEU 19 HN LEU 19 -0.478 -11.401 9.702 300 H THR 20 HN THR 20 1.194 -13.080 8.519 301 HG1 THR 20 HG1 THR 20 0.714 -14.126 6.417 302 H SER 21 HN SER 21 3.296 -11.576 7.731 303 HG SER 21 HG SER 21 3.524 -8.982 6.239 304 H GLY 22 HN GLY 22 4.151 -11.119 10.226 305 H THR 23 HN THR 23 5.794 -13.114 10.487 306 HG1 THR 23 HG1 THR 23 4.395 -14.692 11.237 307 H ILE 24 HN ILE 24 7.982 -12.656 10.107 308 H LYS 25 HN LYS 25 12.372 -13.049 9.078 309 HZ1 LYS 25 HZ1 LYS 25 20.091 -11.174 11.358 310 HZ2 LYS 25 HZ2 LYS 25 19.580 -11.411 9.764 311 HZ3 LYS 25 HZ3 LYS 25 19.316 -12.614 10.919 312 H ALA 26 HN ALA 26 11.919 -9.788 11.810 313 H MET 27 HN MET 27 12.231 -5.437 10.855 314 H LEU 28 HN LEU 28 11.664 -6.524 13.796 315 H SER 29 HN SER 29 13.042 -6.482 15.821 316 HG SER 29 HG SER 29 13.726 -9.201 17.875 317 H GLY 30 HN GLY 30 13.428 -3.978 16.404 318 H GLY 32 HN GLY 32 13.285 1.226 21.102 319 H GLN 33 HN GLN 33 11.199 -0.073 22.514 320 HE21 GLN 33 HE21 GLN 33 8.159 -3.702 27.517 321 HE22 GLN 33 HE22 GLN 33 7.556 -2.431 28.524 322 H PHE 34 HN PHE 34 9.568 -3.641 22.048 323 H ALA 35 HN ALA 35 6.439 -1.343 22.256 324 H GLU 36 HN GLU 36 2.522 -3.252 23.723 325 H ASN 37 HN ASN 37 1.772 -0.900 22.571 326 HD21 ASN 37 HD21 ASN 37 0.379 3.587 23.132 327 HD22 ASN 37 HD22 ASN 37 -0.080 2.950 24.673 328 H GLU 38 HN GLU 38 3.141 -0.014 20.477 329 H THR 39 HN THR 39 2.232 -1.981 19.136 330 HG1 THR 39 HG1 THR 39 3.321 -3.663 19.212 331 H ASN 40 HN ASN 40 0.043 -1.583 18.110 332 HD21 ASN 40 HD21 ASN 40 -1.713 -2.732 19.697 333 HD22 ASN 40 HD22 ASN 40 -2.883 -4.009 19.753 334 H GLU 41 HN GLU 41 -0.567 0.591 17.354 335 H VAL 42 HN VAL 42 0.838 1.253 13.710 336 H ASN 43 HN ASN 43 3.793 3.760 15.286 337 HD21 ASN 43 HD21 ASN 43 3.035 7.440 12.938 338 HD22 ASN 43 HD22 ASN 43 3.673 9.039 13.097 339 H PHE 44 HN PHE 44 4.827 5.640 11.478 340 H ARG 45 HN ARG 45 8.621 7.255 12.158 341 HE ARG 45 HE ARG 45 6.001 10.134 15.004 342 HH11 ARG 45 HH11 ARG 45 8.920 11.387 16.484 343 HH12 ARG 45 HH12 ARG 45 8.234 11.426 18.076 344 HH21 ARG 45 HH21 ARG 45 5.109 10.188 17.095 345 HH22 ARG 45 HH22 ARG 45 6.079 10.735 18.425 346 H GLU 46 HN GLU 46 9.368 10.708 9.285 347 H ILE 47 HN ILE 47 9.078 8.630 7.714 348 H SER 49 HN SER 49 4.800 9.175 2.891 349 HG SER 49 HG SER 49 3.300 9.848 2.234 350 H HIS 50 HN HIS 50 4.752 8.223 0.326 351 HE2 HIS 50 HE2 HIS 50 3.399 7.132 -6.166 352 H VAL 51 HN VAL 51 7.192 6.575 -0.165 353 H LEU 52 HN LEU 52 6.612 4.836 1.683 354 H SER 53 HN SER 53 4.641 3.479 0.664 355 HG SER 53 HG SER 53 2.792 4.233 0.380 356 H LYS 54 HN LYS 54 5.715 1.800 -1.121 357 HZ1 LYS 54 HZ1 LYS 54 8.224 -1.462 -6.688 358 HZ2 LYS 54 HZ2 LYS 54 8.390 -2.405 -5.290 359 HZ3 LYS 54 HZ3 LYS 54 9.522 -2.540 -6.535 360 H VAL 55 HN VAL 55 6.954 0.121 0.408 361 H CYS 56 HN CYS 56 5.047 -1.151 1.723 362 HG CYS 56 HG CYS 56 4.138 0.053 3.223 363 H MET 57 HN MET 57 4.003 -2.538 -0.334 364 H TYR 58 HN TYR 58 5.873 -4.219 -0.879 365 HH TYR 58 HH TYR 58 13.140 -8.785 -1.683 366 H PHE 59 HN PHE 59 6.003 -5.881 1.251 367 H THR 60 HN THR 60 3.647 -7.057 1.074 368 HG1 THR 60 HG1 THR 60 1.793 -6.061 1.152 369 H TYR 61 HN TYR 61 3.956 -8.457 -1.211 370 HH TYR 61 HH TYR 61 7.732 -13.234 -7.143 371 H LYS 62 HN LYS 62 5.861 -10.134 -0.506 372 HZ1 LYS 62 HZ1 LYS 62 12.260 -12.432 -2.656 373 HZ2 LYS 62 HZ2 LYS 62 11.919 -10.847 -2.160 374 HZ3 LYS 62 HZ3 LYS 62 10.804 -11.700 -3.110 375 H VAL 63 HN VAL 63 4.590 -11.726 1.309 376 H ARG 64 HN ARG 64 2.848 -13.260 -0.220 377 HE ARG 64 HE ARG 64 -2.281 -13.309 0.156 378 HH11 ARG 64 HH11 ARG 64 -1.905 -15.952 -2.099 379 HH12 ARG 64 HH12 ARG 64 -3.547 -15.871 -2.672 380 HH21 ARG 64 HH21 ARG 64 -4.450 -13.195 -0.573 381 HH22 ARG 64 HH22 ARG 64 -4.996 -14.316 -1.801 382 H TYR 65 HN TYR 65 4.440 -14.277 -1.892 383 HH TYR 65 HH TYR 65 11.465 -17.631 -5.285 384 H THR 66 HN THR 66 6.037 -15.999 -0.415 385 HG1 THR 66 HG1 THR 66 7.472 -15.378 0.829 386 H ASN 67 HN ASN 67 4.477 -18.193 -0.851 387 HD21 ASN 67 HD21 ASN 67 -0.131 -18.376 1.203 388 HD22 ASN 67 HD22 ASN 67 -0.554 -19.676 2.263 389 H SER 68 HN SER 68 2.256 -18.891 -1.763 390 HG SER 68 HG SER 68 -0.173 -20.703 -1.052 391 H SER 69 HN SER 69 2.778 -18.283 -3.427 392 HG SER 69 HG SER 69 1.189 -16.794 -5.688 393 H THR 70 HN THR 70 4.612 -20.220 -4.686 394 HG1 THR 70 HG1 THR 70 6.278 -19.875 -2.802 395 H GLU 71 HN GLU 71 4.954 -20.389 -7.156 396 H ILE 72 HN ILE 72 5.908 -18.791 -8.542 397 H GLU 74 HN GLU 74 11.820 -14.783 -9.410 398 H PHE 75 HN PHE 75 10.588 -11.179 -6.848 399 H ILE 77 HN ILE 77 13.774 -7.880 -11.776 400 H ALA 78 HN ALA 78 12.472 -4.674 -11.712 401 H GLU 80 HN GLU 80 13.881 1.176 -11.046 402 H ILE 81 HN ILE 81 13.616 0.556 -7.484 403 H ALA 82 HN ALA 82 14.527 -0.205 -5.938 404 H LEU 83 HN LEU 83 16.770 0.400 -4.819 405 H GLU 84 HN GLU 84 16.347 2.564 -3.690 406 H LEU 85 HN LEU 85 14.968 1.904 -1.581 407 H LEU 86 HN LEU 86 16.618 0.760 -0.259 408 H MET 87 HN MET 87 17.731 2.730 0.957 409 H ALA 88 HN ALA 88 17.082 2.768 3.495 410 H ALA 89 HN ALA 89 18.615 1.363 4.949 411 H ASN 90 HN ASN 90 19.006 1.758 8.730 412 HD21 ASN 90 HD21 ASN 90 18.201 1.970 13.512 413 HD22 ASN 90 HD22 ASN 90 18.637 0.601 14.473 414 H PHE 91 HN PHE 91 17.405 -1.083 8.107
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