REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2gmm_1_A DATA FIRST_RESID 2 DATA SEQUENCE DSLSFGFPTF PSDQKNLIFQ GDAQIKNNAV QLTKTDSNGN PVASTVGRIL DATA SEQUENCE FSAQVHLWEK SSSRVANFQS QFSFSLKSPL SNGADGIAFF IAPPDTTIPS DATA SEQUENCE GSGGGLLGLF APXXXXXXXX NQVIAVEFDT FYXXXXNTWD PNYPHIGIDV DATA SEQUENCE NSIRSVKTVK WDRRDGQSLN VLVTFNPSTR NLDVVATYSD GTRYEVSYEV DATA SEQUENCE DVRSVLPEWV RVGFSAASGE QYQTHTLESW SFTSTLLY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 D HA 0.000 4.640 4.640 0.000 0.000 0.175 2 D C 0.000 176.317 176.300 0.029 0.000 2.045 2 D CA 0.000 54.022 54.000 0.036 0.000 0.868 2 D CB 0.000 40.802 40.800 0.004 0.000 0.688 3 S N 0.611 116.349 115.700 0.063 0.000 2.526 3 S HA 0.799 5.015 4.470 -0.424 0.000 0.293 3 S C -0.970 173.689 174.600 0.099 0.000 1.092 3 S CA -0.753 57.483 58.200 0.060 0.000 0.980 3 S CB 2.946 66.166 63.200 0.034 0.000 1.048 3 S HN 0.109 8.419 8.310 0.000 0.000 0.483 4 L N 1.693 122.983 121.223 0.111 0.000 2.513 4 L HA 0.854 4.940 4.340 -0.424 0.000 0.261 4 L C -1.110 175.823 176.870 0.105 0.000 0.945 4 L CA 0.217 55.153 54.840 0.160 0.000 0.848 4 L CB 2.127 44.344 42.059 0.263 0.000 1.334 4 L HN 1.187 9.417 8.230 0.000 0.000 0.407 5 S N 2.652 118.392 115.700 0.066 0.000 2.550 5 S HA 0.929 5.145 4.470 -0.424 0.000 0.270 5 S C -1.115 173.443 174.600 -0.070 0.000 1.145 5 S CA -0.617 57.519 58.200 -0.107 0.000 0.852 5 S CB 1.630 64.755 63.200 -0.126 0.000 1.119 5 S HN 1.076 9.386 8.310 0.000 0.000 0.465 6 F N -1.573 118.243 119.950 -0.223 0.000 2.678 6 F HA 0.930 5.201 4.527 -0.426 0.000 0.308 6 F C -0.434 175.148 175.800 -0.363 0.000 1.118 6 F CA -0.688 57.090 58.000 -0.370 0.000 0.959 6 F CB 1.110 39.704 39.000 -0.676 0.000 1.305 6 F HN 0.958 9.258 8.300 0.000 0.000 0.443 7 G N 1.134 109.851 108.800 -0.138 0.000 2.687 7 G HA2 0.629 4.335 3.960 -0.424 0.000 0.301 7 G HA3 0.629 4.335 3.960 -0.424 0.000 0.301 7 G C -2.366 172.397 174.900 -0.228 0.000 1.416 7 G CA -0.721 44.304 45.100 -0.125 0.000 1.005 7 G HN 0.518 8.808 8.290 0.000 0.000 0.509 8 F N 2.840 122.741 119.950 -0.082 0.000 2.359 8 F HA 0.356 4.631 4.527 -0.420 0.000 0.370 8 F C -1.651 174.001 175.800 -0.246 0.000 1.077 8 F CA -2.089 55.759 58.000 -0.254 0.000 1.136 8 F CB 2.767 41.390 39.000 -0.628 0.000 1.387 8 F HN 0.303 8.603 8.300 0.000 0.000 0.468 9 P HA -0.059 4.361 4.420 0.000 0.000 0.218 9 P C 0.310 177.607 177.300 -0.006 0.000 1.149 9 P CA 1.297 64.399 63.100 0.004 0.000 0.817 9 P CB 0.267 31.967 31.700 0.000 0.000 0.785 10 T N -5.257 109.263 114.554 -0.057 0.000 2.754 10 T HA 0.530 4.626 4.350 -0.424 0.000 0.296 10 T C -1.314 173.310 174.700 -0.125 0.000 1.205 10 T CA -0.713 61.378 62.100 -0.016 0.000 1.009 10 T CB 0.772 69.688 68.868 0.080 0.000 1.368 10 T HN -0.297 7.943 8.240 0.000 0.000 0.509 11 F N 2.470 122.544 119.950 0.207 0.000 2.449 11 F HA 0.428 4.701 4.527 -0.424 0.000 0.344 11 F C -2.227 173.682 175.800 0.181 0.000 1.180 11 F CA -2.078 56.057 58.000 0.224 0.000 1.209 11 F CB 1.401 40.486 39.000 0.140 0.000 1.440 11 F HN 0.319 8.619 8.300 0.000 0.000 0.526 12 P HA 0.040 4.460 4.420 0.000 0.000 0.270 12 P C 0.507 177.937 177.300 0.217 0.000 1.223 12 P CA 0.094 63.318 63.100 0.207 0.000 0.785 12 P CB 1.345 33.138 31.700 0.154 0.000 0.923 13 S N -0.025 115.764 115.700 0.149 0.000 2.469 13 S HA -0.151 4.064 4.470 -0.424 0.000 0.238 13 S C 1.120 175.790 174.600 0.117 0.000 0.998 13 S CA 1.261 59.529 58.200 0.115 0.000 0.957 13 S CB -0.837 62.400 63.200 0.061 0.000 0.764 13 S HN 0.621 8.931 8.310 0.000 0.000 0.514 14 D N 1.873 122.350 120.400 0.128 0.000 2.494 14 D HA 0.028 4.414 4.640 -0.424 0.000 0.249 14 D C 0.140 176.533 176.300 0.156 0.000 1.223 14 D CA -0.039 54.030 54.000 0.115 0.000 0.865 14 D CB -0.160 40.695 40.800 0.091 0.000 0.974 14 D HN 0.134 8.504 8.370 0.000 0.000 0.491 15 Q N 0.403 120.336 119.800 0.221 0.000 2.349 15 Q HA 0.037 4.123 4.340 -0.424 0.000 0.287 15 Q C 0.816 176.946 176.000 0.218 0.000 1.044 15 Q CA 0.552 56.530 55.803 0.291 0.000 0.918 15 Q CB 1.218 30.227 28.738 0.452 0.000 1.242 15 Q HN 0.202 8.472 8.270 0.000 0.000 0.405 16 K N 1.073 121.579 120.400 0.178 0.000 2.550 16 K HA 0.150 4.216 4.320 -0.424 0.000 0.205 16 K C 0.260 176.869 176.600 0.015 0.000 1.429 16 K CA 0.147 56.488 56.287 0.089 0.000 0.997 16 K CB 0.591 33.122 32.500 0.051 0.000 1.328 16 K HN 0.379 8.629 8.250 0.000 0.000 0.546 17 N N 1.185 119.884 118.700 -0.002 0.000 2.273 17 N HA 0.193 4.679 4.740 -0.424 0.000 0.231 17 N C -0.384 174.949 175.510 -0.296 0.000 1.134 17 N CA 0.107 53.011 53.050 -0.243 0.000 0.856 17 N CB 0.965 39.190 38.487 -0.438 0.000 1.068 17 N HN 0.077 8.457 8.380 0.000 0.000 0.510 18 L N 1.041 122.175 121.223 -0.148 0.000 2.341 18 L HA 0.543 4.629 4.340 -0.424 0.000 0.278 18 L C -0.027 176.602 176.870 -0.401 0.000 1.005 18 L CA -0.668 53.984 54.840 -0.313 0.000 0.818 18 L CB 2.237 43.989 42.059 -0.512 0.000 1.259 18 L HN -0.157 8.073 8.230 0.000 0.000 0.418 19 I N 3.223 123.586 120.570 -0.344 0.000 2.291 19 I HA 0.208 4.123 4.170 -0.424 0.000 0.290 19 I C -0.524 175.433 176.117 -0.267 0.000 1.050 19 I CA -0.200 60.974 61.300 -0.210 0.000 1.245 19 I CB 0.386 38.309 38.000 -0.128 0.000 1.405 19 I HN 0.333 8.543 8.210 0.000 0.000 0.478 20 F N 5.277 125.211 119.950 -0.026 0.000 2.427 20 F HA 0.363 4.636 4.527 -0.425 0.000 0.352 20 F C 0.616 176.398 175.800 -0.031 0.000 1.100 20 F CA -0.090 57.891 58.000 -0.032 0.000 1.191 20 F CB 0.709 39.689 39.000 -0.033 0.000 1.128 20 F HN 0.404 8.704 8.300 0.000 0.000 0.533 21 Q N 1.422 121.297 119.800 0.125 0.000 2.397 21 Q HA 0.587 4.673 4.340 -0.424 0.000 0.275 21 Q C 0.421 176.445 176.000 0.039 0.000 1.090 21 Q CA -0.568 55.269 55.803 0.057 0.000 0.809 21 Q CB 2.519 31.266 28.738 0.014 0.000 1.362 21 Q HN 0.888 9.158 8.270 0.000 0.000 0.431 22 G N 2.075 110.883 108.800 0.012 0.000 2.583 22 G HA2 -0.311 3.395 3.960 -0.424 0.000 0.292 22 G HA3 -0.311 3.395 3.960 -0.424 0.000 0.292 22 G C -0.063 174.839 174.900 0.002 0.000 1.203 22 G CA 0.399 45.495 45.100 -0.006 0.000 0.987 22 G HN 0.759 9.049 8.290 0.000 0.000 0.554 23 D N 1.913 122.310 120.400 -0.006 0.000 2.339 23 D HA 0.405 4.791 4.640 -0.424 0.000 0.217 23 D C 1.482 177.785 176.300 0.005 0.000 1.050 23 D CA 0.836 54.831 54.000 -0.009 0.000 0.856 23 D CB -0.137 40.654 40.800 -0.015 0.000 0.922 23 D HN 0.869 9.239 8.370 0.000 0.000 0.518 24 A N 1.592 124.438 122.820 0.044 0.000 2.540 24 A HA 0.246 4.312 4.320 -0.424 0.000 0.239 24 A C 0.530 178.174 177.584 0.100 0.000 1.061 24 A CA 0.368 52.468 52.037 0.103 0.000 0.758 24 A CB 0.063 19.164 19.000 0.168 0.000 0.991 24 A HN 0.262 8.412 8.150 0.000 0.000 0.502 25 Q N 1.383 121.199 119.800 0.027 0.000 2.702 25 Q HA 0.549 4.635 4.340 -0.424 0.000 0.289 25 Q C -1.518 174.440 176.000 -0.069 0.000 0.923 25 Q CA -1.086 54.599 55.803 -0.197 0.000 0.787 25 Q CB 0.677 29.280 28.738 -0.225 0.000 1.476 25 Q HN 0.414 8.684 8.270 0.000 0.000 0.402 26 I N 1.431 121.933 120.570 -0.114 0.000 2.474 26 I HA 0.463 4.379 4.170 -0.424 0.000 0.287 26 I C -0.265 175.852 176.117 0.000 0.000 1.048 26 I CA 0.165 61.471 61.300 0.011 0.000 1.383 26 I CB 0.793 38.841 38.000 0.080 0.000 1.412 26 I HN 0.724 8.934 8.210 0.000 0.000 0.531 27 K N 5.495 125.916 120.400 0.035 0.000 2.575 27 K HA 0.239 4.305 4.320 -0.424 0.000 0.255 27 K C -0.707 175.928 176.600 0.058 0.000 0.953 27 K CA -0.462 55.845 56.287 0.032 0.000 0.840 27 K CB 0.898 33.406 32.500 0.014 0.000 1.303 27 K HN 0.604 8.854 8.250 0.000 0.000 0.438 28 N N 2.926 121.662 118.700 0.060 0.000 2.758 28 N HA -0.200 4.286 4.740 -0.424 0.000 0.248 28 N C -1.096 174.474 175.510 0.100 0.000 1.076 28 N CA 1.377 54.468 53.050 0.070 0.000 0.696 28 N CB -1.379 37.145 38.487 0.061 0.000 0.979 28 N HN 0.957 9.337 8.380 0.000 0.000 0.550 29 N N -2.517 116.257 118.700 0.122 0.000 2.714 29 N HA -0.206 4.280 4.740 -0.424 0.000 0.250 29 N C -0.261 175.399 175.510 0.250 0.000 1.117 29 N CA 1.388 54.544 53.050 0.175 0.000 0.719 29 N CB -0.868 37.705 38.487 0.142 0.000 1.081 29 N HN 0.803 9.183 8.380 0.000 0.000 0.557 30 A N -1.280 121.671 122.820 0.218 0.000 2.556 30 A HA 0.747 4.813 4.320 -0.424 0.000 0.294 30 A C -0.538 177.075 177.584 0.047 0.000 1.091 30 A CA -0.592 51.578 52.037 0.223 0.000 0.704 30 A CB 1.533 20.626 19.000 0.156 0.000 1.300 30 A HN 0.053 8.203 8.150 0.000 0.000 0.406 31 V N 2.629 122.422 119.914 -0.203 0.000 2.408 31 V HA 0.238 4.104 4.120 -0.424 0.000 0.267 31 V C -0.394 175.619 176.094 -0.134 0.000 1.047 31 V CA -0.279 61.852 62.300 -0.283 0.000 0.937 31 V CB 1.040 32.466 31.823 -0.663 0.000 0.999 31 V HN 0.752 8.942 8.190 0.000 0.000 0.472 32 Q N 5.179 124.952 119.800 -0.045 0.000 2.441 32 Q HA 0.352 4.438 4.340 -0.424 0.000 0.234 32 Q C 0.919 176.918 176.000 -0.001 0.000 1.078 32 Q CA -0.138 55.662 55.803 -0.005 0.000 0.907 32 Q CB 1.361 30.107 28.738 0.013 0.000 1.269 32 Q HN 0.699 8.969 8.270 0.000 0.000 0.502 33 L N 0.788 122.004 121.223 -0.013 0.000 2.042 33 L HA -0.137 3.949 4.340 -0.424 0.000 0.210 33 L C 1.166 178.038 176.870 0.003 0.000 1.076 33 L CA 1.311 56.137 54.840 -0.023 0.000 0.749 33 L CB -0.306 41.712 42.059 -0.067 0.000 0.893 33 L HN 0.455 8.685 8.230 0.000 0.000 0.432 34 T N -2.460 112.132 114.554 0.064 0.000 2.902 34 T HA 0.274 4.369 4.350 -0.424 0.000 0.283 34 T C -0.216 174.522 174.700 0.063 0.000 1.009 34 T CA -0.927 61.219 62.100 0.076 0.000 1.051 34 T CB 2.209 71.196 68.868 0.198 0.000 0.999 34 T HN -0.028 8.212 8.240 0.000 0.000 0.474 35 K N 1.345 121.764 120.400 0.032 0.000 2.485 35 K HA 0.275 4.341 4.320 -0.424 0.000 0.277 35 K C -0.090 176.519 176.600 0.014 0.000 0.990 35 K CA -0.028 56.264 56.287 0.009 0.000 0.994 35 K CB 0.093 32.585 32.500 -0.013 0.000 0.906 35 K HN 0.947 9.197 8.250 0.000 0.000 0.488 36 T N 0.482 115.037 114.554 0.003 0.000 2.909 36 T HA 0.269 4.365 4.350 -0.424 0.000 0.299 36 T C -0.567 174.126 174.700 -0.011 0.000 1.073 36 T CA -1.111 60.991 62.100 0.004 0.000 0.999 36 T CB 1.398 70.277 68.868 0.020 0.000 1.098 36 T HN 0.655 8.895 8.240 0.000 0.000 0.477 37 D N 1.374 121.765 120.400 -0.016 0.000 2.325 37 D HA 0.254 4.640 4.640 -0.424 0.000 0.262 37 D C 1.338 177.633 176.300 -0.010 0.000 1.263 37 D CA -0.537 53.452 54.000 -0.019 0.000 1.020 37 D CB -0.285 40.500 40.800 -0.024 0.000 1.117 37 D HN 0.368 8.738 8.370 0.000 0.000 0.545 38 S N -1.139 114.555 115.700 -0.010 0.000 2.442 38 S HA -0.086 4.130 4.470 -0.424 0.000 0.236 38 S C 1.102 175.703 174.600 0.001 0.000 1.007 38 S CA 0.486 58.683 58.200 -0.005 0.000 0.965 38 S CB -0.469 62.727 63.200 -0.006 0.000 0.773 38 S HN 0.403 8.713 8.310 0.000 0.000 0.504 39 N N 0.441 119.144 118.700 0.004 0.000 2.280 39 N HA 0.143 4.629 4.740 -0.424 0.000 0.192 39 N C 1.132 176.651 175.510 0.016 0.000 1.109 39 N CA 0.714 53.770 53.050 0.010 0.000 0.855 39 N CB 0.686 39.180 38.487 0.012 0.000 0.974 39 N HN 0.483 8.863 8.380 0.000 0.000 0.482 40 G N 1.166 109.974 108.800 0.015 0.000 2.136 40 G HA2 -0.232 3.474 3.960 -0.424 0.000 0.242 40 G HA3 -0.232 3.474 3.960 -0.424 0.000 0.242 40 G C -0.244 174.675 174.900 0.030 0.000 0.989 40 G CA -0.368 44.744 45.100 0.021 0.000 0.682 40 G HN 0.258 8.548 8.290 0.000 0.000 0.522 41 N N 1.684 120.402 118.700 0.030 0.000 2.498 41 N HA 0.436 4.922 4.740 -0.424 0.000 0.287 41 N C -2.297 173.244 175.510 0.051 0.000 1.097 41 N CA -1.244 51.836 53.050 0.050 0.000 0.973 41 N CB 1.811 40.329 38.487 0.052 0.000 1.153 41 N HN 0.190 8.570 8.380 0.000 0.000 0.472 42 P HA 0.013 4.433 4.420 0.000 0.000 0.269 42 P C -0.265 177.031 177.300 -0.006 0.000 1.209 42 P CA -0.187 62.987 63.100 0.123 0.000 0.776 42 P CB 0.883 32.724 31.700 0.235 0.000 0.876 43 V N -0.786 119.055 119.914 -0.122 0.000 3.046 43 V HA 0.872 4.738 4.120 -0.424 0.000 0.316 43 V C -0.054 175.824 176.094 -0.360 0.000 1.104 43 V CA -1.294 60.774 62.300 -0.388 0.000 1.006 43 V CB 1.265 32.962 31.823 -0.210 0.000 1.058 43 V HN 0.715 8.905 8.190 0.000 0.000 0.440 44 A N 1.208 123.734 122.820 -0.490 0.000 2.296 44 A HA 0.640 4.706 4.320 -0.424 0.000 0.264 44 A C 0.837 178.388 177.584 -0.056 0.000 1.097 44 A CA 0.304 52.251 52.037 -0.151 0.000 0.811 44 A CB -0.160 18.784 19.000 -0.093 0.000 1.072 44 A HN 2.173 10.323 8.150 0.000 0.000 0.495 45 S N -0.704 115.000 115.700 0.006 0.000 3.356 45 S HA -0.105 4.111 4.470 -0.424 0.000 0.376 45 S C -0.028 174.562 174.600 -0.017 0.000 0.924 45 S CA 1.138 59.334 58.200 -0.007 0.000 1.316 45 S CB -1.515 61.673 63.200 -0.019 0.000 0.922 45 S HN 1.582 9.892 8.310 0.000 0.000 0.553 46 T N 0.765 115.316 114.554 -0.005 0.000 2.933 46 T HA 0.654 4.750 4.350 -0.424 0.000 0.305 46 T C -0.838 173.846 174.700 -0.028 0.000 1.092 46 T CA -0.458 61.634 62.100 -0.013 0.000 1.008 46 T CB 1.520 70.389 68.868 0.000 0.000 1.102 46 T HN 0.270 8.510 8.240 0.000 0.000 0.469 47 V N 2.633 122.520 119.914 -0.044 0.000 2.841 47 V HA 0.971 4.837 4.120 -0.424 0.000 0.310 47 V C 0.387 176.442 176.094 -0.065 0.000 1.090 47 V CA -0.461 61.795 62.300 -0.073 0.000 0.930 47 V CB 2.014 33.789 31.823 -0.079 0.000 1.014 47 V HN 1.247 9.437 8.190 0.000 0.000 0.425 48 G N 3.207 111.957 108.800 -0.085 0.000 2.732 48 G HA2 0.786 4.491 3.960 -0.424 0.000 0.296 48 G HA3 0.786 4.491 3.960 -0.424 0.000 0.296 48 G C -1.589 173.269 174.900 -0.070 0.000 1.448 48 G CA -0.805 44.264 45.100 -0.053 0.000 0.911 48 G HN 0.639 8.929 8.290 0.000 0.000 0.528 49 R N -0.260 120.220 120.500 -0.034 0.000 2.781 49 R HA 0.754 4.840 4.340 -0.424 0.000 0.269 49 R C -0.860 175.431 176.300 -0.014 0.000 1.025 49 R CA -1.007 55.082 56.100 -0.018 0.000 0.914 49 R CB 2.301 32.593 30.300 -0.015 0.000 1.236 49 R HN 0.763 9.033 8.270 0.000 0.000 0.465 50 I N -1.618 118.938 120.570 -0.024 0.000 2.865 50 I HA 0.670 4.586 4.170 -0.424 0.000 0.302 50 I C -1.395 174.671 176.117 -0.085 0.000 1.140 50 I CA -1.256 59.954 61.300 -0.150 0.000 1.021 50 I CB 2.331 40.151 38.000 -0.300 0.000 1.233 50 I HN 0.365 8.575 8.210 0.000 0.000 0.427 51 L N 3.408 124.563 121.223 -0.113 0.000 2.445 51 L HA 0.497 4.582 4.340 -0.424 0.000 0.262 51 L C -1.011 175.873 176.870 0.024 0.000 0.974 51 L CA -0.574 54.223 54.840 -0.073 0.000 0.822 51 L CB 2.511 44.501 42.059 -0.115 0.000 1.339 51 L HN 0.552 8.782 8.230 0.000 0.000 0.409 52 F N 0.960 120.916 119.950 0.011 0.000 2.429 52 F HA 0.128 4.400 4.527 -0.425 0.000 0.348 52 F C 1.553 177.281 175.800 -0.120 0.000 1.109 52 F CA 0.326 58.271 58.000 -0.091 0.000 1.232 52 F CB 1.563 40.383 39.000 -0.301 0.000 1.157 52 F HN 0.658 8.958 8.300 0.000 0.000 0.564 53 S N 4.012 119.239 115.700 -0.788 0.000 2.382 53 S HA 0.008 4.224 4.470 -0.424 0.000 0.228 53 S C 1.021 175.420 174.600 -0.335 0.000 1.027 53 S CA 0.406 58.307 58.200 -0.499 0.000 0.991 53 S CB -0.800 62.103 63.200 -0.495 0.000 0.823 53 S HN 0.817 9.127 8.310 0.000 0.000 0.469 54 A N 2.071 124.659 122.820 -0.387 0.000 2.450 54 A HA 0.395 4.461 4.320 -0.424 0.000 0.255 54 A C 0.247 177.940 177.584 0.181 0.000 1.096 54 A CA -0.493 51.559 52.037 0.024 0.000 0.778 54 A CB 0.053 19.216 19.000 0.271 0.000 1.031 54 A HN 0.605 8.755 8.150 0.000 0.000 0.494 55 Q N 0.701 120.600 119.800 0.165 0.000 2.306 55 Q HA 0.450 4.536 4.340 -0.424 0.000 0.241 55 Q C -0.674 175.556 176.000 0.382 0.000 0.948 55 Q CA -0.418 55.530 55.803 0.242 0.000 0.886 55 Q CB 1.434 30.313 28.738 0.235 0.000 1.227 55 Q HN 0.532 8.802 8.270 0.000 0.000 0.457 56 V N 1.229 121.320 119.914 0.295 0.000 2.435 56 V HA 0.116 3.982 4.120 -0.424 0.000 0.290 56 V C -0.406 175.712 176.094 0.039 0.000 1.030 56 V CA -0.558 61.867 62.300 0.209 0.000 0.881 56 V CB 1.212 33.116 31.823 0.136 0.000 0.983 56 V HN 0.733 8.923 8.190 0.000 0.000 0.445 57 H N 3.999 122.815 119.070 -0.423 0.000 2.908 57 H HA 0.191 4.492 4.556 -0.424 0.000 0.269 57 H C 0.791 175.865 175.328 -0.423 0.000 1.303 57 H CA -0.719 54.705 56.048 -1.039 0.000 1.341 57 H CB 1.014 29.912 29.762 -1.440 0.000 1.519 57 H HN 0.636 8.916 8.280 0.000 0.000 0.505 58 L N 6.995 128.156 121.223 -0.103 0.000 2.093 58 L HA 0.005 4.091 4.340 -0.424 0.000 0.208 58 L C -0.032 176.950 176.870 0.187 0.000 1.085 58 L CA 1.011 55.917 54.840 0.110 0.000 0.755 58 L CB -0.016 42.181 42.059 0.229 0.000 0.904 58 L HN 0.628 8.858 8.230 0.000 0.000 0.435 59 W N -1.362 119.824 121.300 -0.189 0.000 3.066 59 W HA 0.511 4.917 4.660 -0.424 0.000 0.330 59 W C -1.236 175.110 176.519 -0.289 0.000 1.253 59 W CA -0.978 56.243 57.345 -0.207 0.000 1.187 59 W CB 0.617 30.039 29.460 -0.062 0.000 1.434 59 W HN -0.060 8.120 8.180 0.000 0.000 0.572 60 E N 2.179 122.292 120.200 -0.144 0.000 2.283 60 E HA 0.146 4.241 4.350 -0.424 0.000 0.258 60 E C 0.621 177.245 176.600 0.040 0.000 0.893 60 E CA -0.323 55.944 56.400 -0.222 0.000 0.798 60 E CB 2.506 32.012 29.700 -0.324 0.000 1.242 60 E HN 0.543 8.903 8.360 0.000 0.000 0.414 61 K N 2.215 122.641 120.400 0.043 0.000 2.009 61 K HA -0.182 3.884 4.320 -0.424 0.000 0.210 61 K C 1.787 178.467 176.600 0.133 0.000 1.049 61 K CA 2.282 58.696 56.287 0.212 0.000 0.929 61 K CB -0.062 32.558 32.500 0.200 0.000 0.714 61 K HN 0.504 8.754 8.250 0.000 0.000 0.440 62 S N 0.384 116.134 115.700 0.083 0.000 2.365 62 S HA -0.195 4.021 4.470 -0.424 0.000 0.225 62 S C 2.011 176.668 174.600 0.094 0.000 1.039 62 S CA 1.891 60.141 58.200 0.083 0.000 1.033 62 S CB -0.708 62.536 63.200 0.073 0.000 0.887 62 S HN 0.491 8.801 8.310 0.000 0.000 0.447 63 S N 0.085 115.832 115.700 0.079 0.000 2.575 63 S HA 0.325 4.541 4.470 -0.424 0.000 0.215 63 S C 0.822 175.495 174.600 0.122 0.000 0.966 63 S CA 0.551 58.816 58.200 0.109 0.000 0.911 63 S CB -0.264 62.951 63.200 0.025 0.000 0.780 63 S HN 1.034 9.344 8.310 0.000 0.000 0.514 64 S N 0.796 116.560 115.700 0.107 0.000 3.682 64 S HA -0.178 4.038 4.470 -0.424 0.000 0.354 64 S C -0.034 174.607 174.600 0.068 0.000 1.034 64 S CA 0.286 58.559 58.200 0.123 0.000 1.084 64 S CB -1.474 61.809 63.200 0.140 0.000 0.903 64 S HN 0.792 9.102 8.310 0.000 0.000 0.470 65 R N 0.047 120.538 120.500 -0.016 0.000 2.664 65 R HA 0.766 4.851 4.340 -0.424 0.000 0.286 65 R C -0.617 175.682 176.300 -0.001 0.000 0.967 65 R CA -0.777 55.251 56.100 -0.121 0.000 0.933 65 R CB 1.943 32.016 30.300 -0.380 0.000 1.146 65 R HN 0.164 8.434 8.270 0.000 0.000 0.468 66 V N 1.224 121.147 119.914 0.014 0.000 2.789 66 V HA 0.526 4.392 4.120 -0.424 0.000 0.311 66 V C -0.226 175.926 176.094 0.095 0.000 1.073 66 V CA -1.095 61.279 62.300 0.122 0.000 0.921 66 V CB 1.914 33.832 31.823 0.158 0.000 1.009 66 V HN 0.947 9.137 8.190 0.000 0.000 0.426 67 A N 2.857 125.781 122.820 0.172 0.000 2.340 67 A HA 0.522 4.588 4.320 -0.424 0.000 0.268 67 A C 0.096 177.835 177.584 0.260 0.000 1.100 67 A CA -0.245 51.900 52.037 0.180 0.000 0.803 67 A CB 0.231 19.362 19.000 0.218 0.000 1.043 67 A HN 0.818 8.968 8.150 0.000 0.000 0.488 68 N N 1.342 120.113 118.700 0.118 0.000 2.419 68 N HA 0.576 5.062 4.740 -0.424 0.000 0.277 68 N C -1.361 174.190 175.510 0.070 0.000 1.006 68 N CA -0.207 52.844 53.050 0.002 0.000 0.923 68 N CB 0.759 39.199 38.487 -0.079 0.000 1.140 68 N HN 0.502 8.882 8.380 0.000 0.000 0.488 69 F N 0.644 120.629 119.950 0.059 0.000 2.613 69 F HA 0.595 4.864 4.527 -0.429 0.000 0.314 69 F C -1.116 174.599 175.800 -0.141 0.000 1.075 69 F CA -0.913 57.014 58.000 -0.122 0.000 0.945 69 F CB 1.238 40.191 39.000 -0.079 0.000 1.310 69 F HN 0.271 8.571 8.300 0.000 0.000 0.467 70 Q N 1.035 120.812 119.800 -0.038 0.000 2.359 70 Q HA 0.577 4.663 4.340 -0.424 0.000 0.274 70 Q C -1.629 174.321 176.000 -0.083 0.000 1.074 70 Q CA -1.158 54.631 55.803 -0.024 0.000 0.810 70 Q CB 2.506 31.179 28.738 -0.108 0.000 1.342 70 Q HN 0.820 9.090 8.270 0.000 0.000 0.427 71 S N 1.769 117.546 115.700 0.129 0.000 2.733 71 S HA 0.284 4.500 4.470 -0.424 0.000 0.294 71 S C -1.537 173.208 174.600 0.241 0.000 1.149 71 S CA -0.411 57.950 58.200 0.267 0.000 1.034 71 S CB 1.194 64.458 63.200 0.107 0.000 1.015 71 S HN 0.572 8.882 8.310 0.000 0.000 0.486 72 Q N 4.225 124.218 119.800 0.321 0.000 2.333 72 Q HA 0.752 4.838 4.340 -0.424 0.000 0.267 72 Q C -1.372 174.901 176.000 0.455 0.000 1.012 72 Q CA -0.776 55.134 55.803 0.178 0.000 0.824 72 Q CB 1.027 29.812 28.738 0.078 0.000 1.290 72 Q HN 0.701 8.971 8.270 0.000 0.000 0.449 73 F N -0.594 119.501 119.950 0.241 0.000 2.713 73 F HA 0.710 4.968 4.527 -0.449 0.000 0.311 73 F C -1.348 174.520 175.800 0.113 0.000 1.141 73 F CA -1.023 57.128 58.000 0.252 0.000 0.939 73 F CB 1.480 40.651 39.000 0.285 0.000 1.325 73 F HN 0.340 8.640 8.300 0.000 0.000 0.453 74 S N 1.306 117.208 115.700 0.337 0.000 2.536 74 S HA 0.893 5.109 4.470 -0.424 0.000 0.287 74 S C -1.409 173.337 174.600 0.244 0.000 1.101 74 S CA -0.547 57.737 58.200 0.140 0.000 0.950 74 S CB 1.115 64.358 63.200 0.070 0.000 1.056 74 S HN 1.163 9.473 8.310 0.000 0.000 0.481 75 F N 0.973 120.955 119.950 0.053 0.000 2.686 75 F HA 0.866 5.116 4.527 -0.462 0.000 0.311 75 F C -0.825 175.008 175.800 0.055 0.000 1.128 75 F CA -0.778 57.239 58.000 0.028 0.000 0.946 75 F CB 1.261 40.249 39.000 -0.020 0.000 1.336 75 F HN 0.555 8.855 8.300 0.000 0.000 0.457 76 S N 1.670 117.552 115.700 0.304 0.000 2.546 76 S HA 0.843 5.059 4.470 -0.424 0.000 0.274 76 S C -1.662 173.103 174.600 0.275 0.000 1.121 76 S CA -0.869 57.456 58.200 0.207 0.000 0.887 76 S CB 1.803 65.070 63.200 0.111 0.000 1.094 76 S HN 0.886 9.196 8.310 0.000 0.000 0.474 77 L N 1.825 123.186 121.223 0.230 0.000 2.341 77 L HA 0.665 4.751 4.340 -0.424 0.000 0.278 77 L C -0.338 176.560 176.870 0.046 0.000 1.005 77 L CA -0.656 54.250 54.840 0.111 0.000 0.818 77 L CB 1.911 44.059 42.059 0.149 0.000 1.259 77 L HN 0.661 8.891 8.230 0.000 0.000 0.418 78 K N 1.836 122.237 120.400 0.002 0.000 2.422 78 K HA 0.736 4.802 4.320 -0.424 0.000 0.251 78 K C -1.195 175.402 176.600 -0.005 0.000 0.933 78 K CA -0.632 55.658 56.287 0.005 0.000 0.798 78 K CB 2.635 35.148 32.500 0.022 0.000 1.238 78 K HN 0.510 8.760 8.250 0.000 0.000 0.428 79 S N 1.364 117.058 115.700 -0.010 0.000 2.542 79 S HA 0.348 4.564 4.470 -0.424 0.000 0.276 79 S C -2.303 172.280 174.600 -0.028 0.000 1.148 79 S CA -1.068 57.120 58.200 -0.020 0.000 0.886 79 S CB 1.318 64.470 63.200 -0.079 0.000 1.109 79 S HN 0.498 8.808 8.310 0.000 0.000 0.458 80 P HA 0.114 4.534 4.420 0.000 0.000 0.229 80 P C 0.315 177.583 177.300 -0.052 0.000 1.160 80 P CA 0.340 63.437 63.100 -0.005 0.000 0.777 80 P CB 0.070 31.800 31.700 0.050 0.000 0.814 81 L N 0.341 121.487 121.223 -0.128 0.000 2.468 81 L HA 0.148 4.234 4.340 -0.424 0.000 0.254 81 L C 1.924 178.735 176.870 -0.098 0.000 1.171 81 L CA -0.066 54.683 54.840 -0.151 0.000 0.809 81 L CB 0.449 42.334 42.059 -0.291 0.000 1.155 81 L HN -0.087 8.143 8.230 0.000 0.000 0.473 82 S N -1.110 114.544 115.700 -0.077 0.000 2.517 82 S HA 0.006 4.222 4.470 -0.424 0.000 0.214 82 S C 0.603 175.174 174.600 -0.049 0.000 0.991 82 S CA -0.141 58.027 58.200 -0.054 0.000 0.906 82 S CB -0.190 62.987 63.200 -0.038 0.000 0.789 82 S HN 0.810 9.120 8.310 0.000 0.000 0.513 83 N N 1.461 120.127 118.700 -0.058 0.000 2.644 83 N HA 0.269 4.755 4.740 -0.424 0.000 0.313 83 N C 0.227 175.716 175.510 -0.036 0.000 1.863 83 N CA -0.264 52.770 53.050 -0.027 0.000 0.918 83 N CB 0.053 38.538 38.487 -0.003 0.000 1.320 83 N HN 0.247 8.627 8.380 0.000 0.000 0.490 84 G N -0.074 108.692 108.800 -0.056 0.000 2.484 84 G HA2 0.459 4.165 3.960 -0.424 0.000 0.235 84 G HA3 0.459 4.165 3.960 -0.424 0.000 0.235 84 G C -0.391 174.546 174.900 0.061 0.000 1.282 84 G CA 0.184 45.251 45.100 -0.054 0.000 0.857 84 G HN 0.663 8.953 8.290 0.000 0.000 0.571 85 A N 1.150 124.039 122.820 0.115 0.000 2.569 85 A HA 0.713 4.779 4.320 -0.424 0.000 0.290 85 A C 0.298 178.086 177.584 0.340 0.000 1.136 85 A CA -0.522 51.669 52.037 0.257 0.000 0.710 85 A CB 1.332 20.465 19.000 0.223 0.000 1.303 85 A HN 0.519 8.669 8.150 0.000 0.000 0.413 86 D N -0.571 120.070 120.400 0.401 0.000 2.431 86 D HA 0.387 4.773 4.640 -0.424 0.000 0.227 86 D C 0.722 177.352 176.300 0.550 0.000 1.030 86 D CA 1.506 55.805 54.000 0.499 0.000 0.897 86 D CB 1.300 42.244 40.800 0.240 0.000 1.058 86 D HN 1.065 9.435 8.370 0.000 0.000 0.500 87 G N 0.819 109.875 108.800 0.427 0.000 2.336 87 G HA2 0.283 3.989 3.960 -0.424 0.000 0.300 87 G HA3 0.283 3.989 3.960 -0.424 0.000 0.300 87 G C -2.047 172.882 174.900 0.048 0.000 1.375 87 G CA -0.785 44.491 45.100 0.294 0.000 0.885 87 G HN 0.078 8.368 8.290 0.000 0.000 0.599 88 I N -0.009 120.575 120.570 0.023 0.000 2.689 88 I HA 0.856 4.772 4.170 -0.424 0.000 0.299 88 I C -0.236 175.861 176.117 -0.033 0.000 1.059 88 I CA -1.073 60.145 61.300 -0.137 0.000 1.055 88 I CB 1.967 39.742 38.000 -0.375 0.000 1.243 88 I HN 1.347 9.557 8.210 0.000 0.000 0.425 89 A N 5.651 128.462 122.820 -0.016 0.000 2.515 89 A HA 0.626 4.692 4.320 -0.424 0.000 0.298 89 A C -1.726 175.884 177.584 0.045 0.000 1.059 89 A CA -0.436 51.646 52.037 0.075 0.000 0.698 89 A CB 1.299 20.290 19.000 -0.015 0.000 1.289 89 A HN 0.632 8.782 8.150 0.000 0.000 0.404 90 F N 2.877 122.745 119.950 -0.136 0.000 2.404 90 F HA 0.788 5.052 4.527 -0.438 0.000 0.339 90 F C -0.832 174.878 175.800 -0.151 0.000 1.105 90 F CA -1.430 56.221 58.000 -0.582 0.000 1.087 90 F CB 0.850 39.529 39.000 -0.535 0.000 1.143 90 F HN 0.617 8.917 8.300 0.000 0.000 0.491 91 F N 4.868 124.050 119.950 -1.281 0.000 2.662 91 F HA 0.807 5.078 4.527 -0.427 0.000 0.312 91 F C -2.056 173.166 175.800 -0.964 0.000 1.113 91 F CA -2.147 55.311 58.000 -0.904 0.000 0.951 91 F CB 0.992 39.678 39.000 -0.522 0.000 1.344 91 F HN 0.304 8.604 8.300 0.000 0.000 0.462 92 I N 2.034 122.234 120.570 -0.617 0.000 2.533 92 I HA 0.835 4.751 4.170 -0.424 0.000 0.290 92 I C -0.477 175.496 176.117 -0.240 0.000 1.056 92 I CA -0.850 60.129 61.300 -0.534 0.000 1.057 92 I CB 1.614 39.395 38.000 -0.364 0.000 1.240 92 I HN 1.084 9.294 8.210 0.000 0.000 0.423 93 A N 6.571 129.258 122.820 -0.222 0.000 2.557 93 A HA 0.849 4.915 4.320 -0.424 0.000 0.292 93 A C -3.014 174.549 177.584 -0.035 0.000 1.139 93 A CA -1.521 50.486 52.037 -0.050 0.000 0.665 93 A CB 1.346 20.395 19.000 0.081 0.000 1.285 93 A HN 0.378 8.528 8.150 0.000 0.000 0.433 94 P HA 0.183 4.603 4.420 0.000 0.000 0.267 94 P C -2.002 175.298 177.300 -0.000 0.000 1.200 94 P CA -0.562 62.551 63.100 0.022 0.000 0.772 94 P CB 0.264 31.981 31.700 0.029 0.000 0.855 95 P HA -0.202 4.218 4.420 0.000 0.000 0.217 95 P C 0.580 177.863 177.300 -0.028 0.000 1.148 95 P CA 1.597 64.687 63.100 -0.017 0.000 0.828 95 P CB -0.202 31.490 31.700 -0.012 0.000 0.783 96 D N -2.580 117.808 120.400 -0.020 0.000 2.336 96 D HA -0.005 4.381 4.640 -0.424 0.000 0.228 96 D C 0.221 176.513 176.300 -0.013 0.000 1.120 96 D CA -0.008 53.979 54.000 -0.022 0.000 0.839 96 D CB -1.308 39.478 40.800 -0.023 0.000 0.932 96 D HN -0.039 8.331 8.370 0.000 0.000 0.509 97 T N 0.618 115.171 114.554 -0.002 0.000 2.934 97 T HA 0.285 4.381 4.350 -0.424 0.000 0.306 97 T C 0.150 174.853 174.700 0.005 0.000 1.042 97 T CA 0.359 62.466 62.100 0.013 0.000 1.145 97 T CB 0.262 69.172 68.868 0.069 0.000 0.982 97 T HN 0.422 8.662 8.240 0.000 0.000 0.544 98 T N 2.538 117.080 114.554 -0.019 0.000 2.901 98 T HA 0.574 4.670 4.350 -0.424 0.000 0.293 98 T C 0.128 174.788 174.700 -0.066 0.000 1.084 98 T CA -1.032 61.050 62.100 -0.031 0.000 1.008 98 T CB 0.753 69.604 68.868 -0.028 0.000 1.170 98 T HN 0.581 8.821 8.240 0.000 0.000 0.509 99 I N 2.670 123.195 120.570 -0.075 0.000 2.752 99 I HA 0.153 4.069 4.170 -0.424 0.000 0.286 99 I C -2.012 174.053 176.117 -0.087 0.000 1.180 99 I CA -1.368 59.868 61.300 -0.107 0.000 1.404 99 I CB 0.017 37.964 38.000 -0.089 0.000 1.389 99 I HN 0.466 8.676 8.210 0.000 0.000 0.549 100 P HA 0.012 4.432 4.420 0.000 0.000 0.271 100 P C -0.296 176.974 177.300 -0.050 0.000 1.218 100 P CA -0.254 62.805 63.100 -0.068 0.000 0.780 100 P CB 0.652 32.307 31.700 -0.074 0.000 0.901 101 S N 2.258 117.938 115.700 -0.033 0.000 2.525 101 S HA 0.324 4.540 4.470 -0.424 0.000 0.285 101 S C 1.294 175.881 174.600 -0.021 0.000 1.283 101 S CA 0.814 58.998 58.200 -0.026 0.000 1.072 101 S CB -1.334 61.855 63.200 -0.018 0.000 0.867 101 S HN 0.892 9.202 8.310 0.000 0.000 0.492 102 G N 3.352 112.138 108.800 -0.023 0.000 2.176 102 G HA2 -0.262 3.444 3.960 -0.424 0.000 0.252 102 G HA3 -0.262 3.444 3.960 -0.424 0.000 0.252 102 G C 0.487 175.377 174.900 -0.017 0.000 1.024 102 G CA 0.548 45.637 45.100 -0.019 0.000 0.755 102 G HN 1.526 9.816 8.290 0.000 0.000 0.507 103 S N -0.740 114.943 115.700 -0.028 0.000 2.614 103 S HA 0.556 4.772 4.470 -0.424 0.000 0.230 103 S C 1.416 175.994 174.600 -0.036 0.000 0.952 103 S CA 0.623 58.809 58.200 -0.023 0.000 0.949 103 S CB 0.708 63.875 63.200 -0.055 0.000 0.786 103 S HN 1.457 9.767 8.310 0.000 0.000 0.478 104 G N 0.578 109.354 108.800 -0.041 0.000 2.611 104 G HA2 0.490 4.195 3.960 -0.424 0.000 0.273 104 G HA3 0.490 4.195 3.960 -0.424 0.000 0.273 104 G C 0.904 175.769 174.900 -0.058 0.000 1.305 104 G CA -0.076 44.994 45.100 -0.050 0.000 1.010 104 G HN 1.148 9.438 8.290 0.000 0.000 0.509 105 G N -0.413 108.346 108.800 -0.068 0.000 2.591 105 G HA2 -0.024 3.682 3.960 -0.424 0.000 0.298 105 G HA3 -0.024 3.682 3.960 -0.424 0.000 0.298 105 G C 1.525 176.315 174.900 -0.184 0.000 1.195 105 G CA 1.035 46.065 45.100 -0.116 0.000 0.989 105 G HN 1.844 10.134 8.290 0.000 0.000 0.551 106 G N -0.749 107.846 108.800 -0.341 0.000 2.625 106 G HA2 0.253 3.959 3.960 -0.424 0.000 0.214 106 G HA3 0.253 3.959 3.960 -0.424 0.000 0.214 106 G C 1.431 176.330 174.900 -0.003 0.000 1.132 106 G CA 1.370 46.183 45.100 -0.479 0.000 0.782 106 G HN 0.591 8.881 8.290 0.000 0.000 0.538 107 L N -0.004 121.231 121.223 0.019 0.000 2.591 107 L HA 0.378 4.464 4.340 -0.424 0.000 0.228 107 L C 1.530 178.490 176.870 0.151 0.000 1.133 107 L CA 0.101 55.028 54.840 0.145 0.000 0.880 107 L CB -0.359 41.766 42.059 0.111 0.000 1.033 107 L HN 0.169 8.399 8.230 0.000 0.000 0.450 108 L N 0.005 121.262 121.223 0.057 0.000 4.269 108 L HA -0.365 3.721 4.340 -0.424 0.000 0.431 108 L C 1.320 178.104 176.870 -0.144 0.000 1.139 108 L CA 0.417 55.241 54.840 -0.027 0.000 0.982 108 L CB -2.439 39.632 42.059 0.020 0.000 1.915 108 L HN 0.522 8.752 8.230 0.000 0.000 1.015 109 G N -1.210 107.508 108.800 -0.136 0.000 2.148 109 G HA2 -0.323 3.383 3.960 -0.424 0.000 0.254 109 G HA3 -0.323 3.383 3.960 -0.424 0.000 0.254 109 G C 0.620 175.310 174.900 -0.351 0.000 0.981 109 G CA 0.487 45.463 45.100 -0.206 0.000 0.670 109 G HN 0.404 8.694 8.290 0.000 0.000 0.528 110 L N -1.975 118.998 121.223 -0.417 0.000 2.467 110 L HA 0.461 4.547 4.340 -0.424 0.000 0.213 110 L C 0.612 176.954 176.870 -0.881 0.000 1.053 110 L CA 0.292 54.639 54.840 -0.822 0.000 0.847 110 L CB 0.185 41.541 42.059 -1.171 0.000 1.075 110 L HN 0.145 8.375 8.230 0.000 0.000 0.479 111 F N 0.023 119.897 119.950 -0.126 0.000 2.508 111 F HA 0.647 4.911 4.527 -0.438 0.000 0.325 111 F C 0.438 176.204 175.800 -0.058 0.000 1.090 111 F CA -1.180 56.775 58.000 -0.075 0.000 0.945 111 F CB 1.018 39.992 39.000 -0.043 0.000 1.156 111 F HN -0.247 8.053 8.300 0.000 0.000 0.463 112 A N 3.496 126.388 122.820 0.119 0.000 2.340 112 A HA 0.673 4.739 4.320 -0.424 0.000 0.268 112 A C -1.921 175.707 177.584 0.073 0.000 1.100 112 A CA -1.254 50.819 52.037 0.060 0.000 0.803 112 A CB -0.317 18.701 19.000 0.030 0.000 1.043 112 A HN 0.600 8.750 8.150 0.000 0.000 0.488 123 Q N 1.340 121.168 119.800 0.047 0.000 2.279 123 Q HA 0.579 4.665 4.340 -0.424 0.000 0.256 123 Q C -1.208 174.817 176.000 0.042 0.000 0.937 123 Q CA -0.236 55.600 55.803 0.056 0.000 0.933 123 Q CB 1.860 30.638 28.738 0.066 0.000 1.189 123 Q HN 0.359 8.629 8.270 0.000 0.000 0.417 124 V N 3.614 123.558 119.914 0.051 0.000 3.216 124 V HA 0.429 4.295 4.120 -0.424 0.000 0.273 124 V C -2.093 174.034 176.094 0.056 0.000 1.664 124 V CA -0.574 61.748 62.300 0.038 0.000 1.021 124 V CB 2.119 33.938 31.823 -0.007 0.000 1.250 124 V HN 0.733 8.923 8.190 0.000 0.000 0.463 125 I N 4.082 124.671 120.570 0.032 0.000 2.534 125 I HA 0.867 4.783 4.170 -0.424 0.000 0.288 125 I C -0.192 175.945 176.117 0.034 0.000 1.077 125 I CA -0.352 60.980 61.300 0.052 0.000 1.051 125 I CB 1.903 39.929 38.000 0.045 0.000 1.234 125 I HN 0.958 9.168 8.210 0.000 0.000 0.425 126 A N 5.523 128.392 122.820 0.082 0.000 2.539 126 A HA 0.869 4.935 4.320 -0.424 0.000 0.296 126 A C -1.507 176.138 177.584 0.101 0.000 1.073 126 A CA -0.538 51.542 52.037 0.072 0.000 0.700 126 A CB 2.134 21.172 19.000 0.063 0.000 1.296 126 A HN 0.343 8.493 8.150 0.000 0.000 0.405 127 V N 2.516 122.511 119.914 0.134 0.000 2.349 127 V HA 0.391 4.257 4.120 -0.424 0.000 0.284 127 V C -0.296 175.780 176.094 -0.030 0.000 1.014 127 V CA -0.384 61.955 62.300 0.066 0.000 0.826 127 V CB 0.984 32.953 31.823 0.244 0.000 1.009 127 V HN 0.982 9.172 8.190 0.000 0.000 0.431 128 E N 4.018 124.076 120.200 -0.236 0.000 2.202 128 E HA 0.677 4.773 4.350 -0.424 0.000 0.272 128 E C -1.602 174.610 176.600 -0.647 0.000 0.951 128 E CA -0.778 55.471 56.400 -0.251 0.000 0.813 128 E CB 1.891 31.498 29.700 -0.155 0.000 1.151 128 E HN 0.386 8.746 8.360 0.000 0.000 0.398 129 F N 1.976 121.723 119.950 -0.338 0.000 2.359 129 F HA 0.278 4.547 4.527 -0.431 0.000 0.369 129 F C -0.436 175.224 175.800 -0.233 0.000 1.084 129 F CA -0.906 56.787 58.000 -0.511 0.000 1.096 129 F CB 0.963 39.574 39.000 -0.648 0.000 1.335 129 F HN 0.297 8.597 8.300 0.000 0.000 0.457 130 D N 1.032 121.261 120.400 -0.285 0.000 2.177 130 D HA 0.253 4.639 4.640 -0.424 0.000 0.247 130 D C 1.004 177.264 176.300 -0.067 0.000 1.063 130 D CA 0.004 53.813 54.000 -0.320 0.000 0.867 130 D CB 1.973 42.211 40.800 -0.937 0.000 1.168 130 D HN 0.530 8.900 8.370 0.000 0.000 0.445 131 T N -1.807 112.758 114.554 0.019 0.000 3.084 131 T HA 0.191 4.287 4.350 -0.424 0.000 0.270 131 T C 0.410 175.152 174.700 0.069 0.000 1.008 131 T CA -0.504 61.635 62.100 0.065 0.000 0.900 131 T CB -0.346 68.604 68.868 0.137 0.000 1.084 131 T HN 0.305 8.545 8.240 0.000 0.000 0.538 132 F N 0.363 120.383 119.950 0.117 0.000 2.509 132 F HA 0.827 5.164 4.527 -0.317 0.000 0.334 132 F C 0.126 176.027 175.800 0.169 0.000 1.060 132 F CA -2.387 55.684 58.000 0.118 0.000 0.997 132 F CB -0.046 39.022 39.000 0.113 0.000 1.271 132 F HN 0.164 8.464 8.300 0.000 0.000 0.488 139 T N -1.710 112.547 114.554 -0.495 0.000 3.130 139 T HA 0.562 4.658 4.350 -0.424 0.000 0.288 139 T C -0.132 174.579 174.700 0.018 0.000 0.936 139 T CA 1.129 63.142 62.100 -0.146 0.000 0.897 139 T CB -0.388 68.480 68.868 0.000 0.000 1.178 139 T HN 1.818 10.059 8.240 0.000 0.000 0.543 140 W N -1.302 119.884 121.300 -0.190 0.000 2.989 140 W HA 0.535 5.049 4.660 -0.242 0.000 0.344 140 W C -1.026 175.395 176.519 -0.163 0.000 1.233 140 W CA -1.065 56.145 57.345 -0.224 0.000 1.187 140 W CB 0.309 29.445 29.460 -0.540 0.000 1.443 140 W HN 0.034 8.214 8.180 0.000 0.000 0.573 141 D N 2.713 123.226 120.400 0.187 0.000 2.359 141 D HA 0.265 4.651 4.640 -0.424 0.000 0.250 141 D C -1.125 175.328 176.300 0.255 0.000 1.264 141 D CA -0.982 53.091 54.000 0.122 0.000 0.911 141 D CB 0.467 41.267 40.800 0.000 0.000 1.056 141 D HN 0.414 8.784 8.370 0.000 0.000 0.499 142 P HA -0.249 4.171 4.420 0.000 0.000 0.219 142 P C 1.512 178.928 177.300 0.194 0.000 1.146 142 P CA 1.616 64.841 63.100 0.208 0.000 0.808 142 P CB -0.128 31.593 31.700 0.034 0.000 0.779 143 N N -0.863 117.912 118.700 0.125 0.000 2.289 143 N HA -0.069 4.416 4.740 -0.424 0.000 0.184 143 N C 1.137 176.706 175.510 0.098 0.000 1.016 143 N CA 1.555 54.662 53.050 0.095 0.000 0.872 143 N CB -0.913 37.574 38.487 0.000 0.000 0.973 143 N HN 0.464 8.844 8.380 0.000 0.000 0.433 144 Y N -1.218 119.158 120.300 0.127 0.000 2.609 144 Y HA 0.756 5.051 4.550 -0.424 0.000 0.342 144 Y C -2.779 173.192 175.900 0.118 0.000 1.058 144 Y CA -2.951 55.206 58.100 0.096 0.000 1.055 144 Y CB 0.499 38.959 38.460 0.000 0.000 1.292 144 Y HN 0.113 8.393 8.280 0.000 0.000 0.476 145 P HA 0.276 4.696 4.420 0.000 0.000 0.271 145 P C -0.866 176.562 177.300 0.212 0.000 1.233 145 P CA 0.799 63.947 63.100 0.080 0.000 0.789 145 P CB 0.359 32.018 31.700 -0.069 0.000 0.951 146 H N -0.744 118.330 119.070 0.006 0.000 3.037 146 H HA 0.481 4.987 4.556 -0.083 0.000 0.355 146 H C -1.463 173.757 175.328 -0.180 0.000 1.263 146 H CA -0.926 55.090 56.048 -0.054 0.000 1.129 146 H CB 0.345 29.954 29.762 -0.253 0.000 1.861 146 H HN 0.171 8.451 8.280 0.000 0.000 0.546 147 I N 1.418 121.799 120.570 -0.315 0.000 2.359 147 I HA 0.517 4.433 4.170 -0.424 0.000 0.294 147 I C 0.553 176.425 176.117 -0.408 0.000 0.987 147 I CA -0.436 60.474 61.300 -0.650 0.000 1.225 147 I CB 1.785 39.395 38.000 -0.650 0.000 1.366 147 I HN 0.760 8.970 8.210 0.000 0.000 0.466 148 G N 6.554 115.067 108.800 -0.477 0.000 2.571 148 G HA2 0.732 4.438 3.960 -0.424 0.000 0.304 148 G HA3 0.732 4.438 3.960 -0.424 0.000 0.304 148 G C -1.038 173.756 174.900 -0.177 0.000 1.314 148 G CA -0.516 44.457 45.100 -0.212 0.000 0.975 148 G HN 0.452 8.742 8.290 0.000 0.000 0.485 149 I N 1.708 122.217 120.570 -0.100 0.000 2.354 149 I HA 0.278 4.194 4.170 -0.424 0.000 0.292 149 I C -0.945 175.137 176.117 -0.058 0.000 0.989 149 I CA -0.762 60.502 61.300 -0.059 0.000 1.188 149 I CB 1.880 39.852 38.000 -0.047 0.000 1.342 149 I HN 0.254 8.464 8.210 0.000 0.000 0.457 150 D N 6.177 126.588 120.400 0.018 0.000 2.256 150 D HA 0.514 4.900 4.640 -0.424 0.000 0.246 150 D C -0.702 175.649 176.300 0.087 0.000 1.042 150 D CA -0.224 53.812 54.000 0.060 0.000 0.841 150 D CB 2.819 43.748 40.800 0.214 0.000 1.223 150 D HN 0.029 8.399 8.370 0.000 0.000 0.470 151 V N 3.602 123.559 119.914 0.072 0.000 2.525 151 V HA 0.283 4.148 4.120 -0.424 0.000 0.299 151 V C 0.591 176.747 176.094 0.104 0.000 1.034 151 V CA -0.861 61.493 62.300 0.090 0.000 0.863 151 V CB 1.304 33.180 31.823 0.088 0.000 0.999 151 V HN 0.591 8.781 8.190 0.000 0.000 0.423 152 N N 2.932 121.704 118.700 0.119 0.000 1.156 152 N HA -0.278 4.208 4.740 -0.424 0.000 0.125 152 N C 1.377 176.991 175.510 0.174 0.000 0.726 152 N CA 1.952 55.076 53.050 0.124 0.000 0.887 152 N CB -0.894 37.645 38.487 0.086 0.000 1.163 152 N HN 0.696 9.076 8.380 0.000 0.000 0.564 153 S N 0.773 116.544 115.700 0.118 0.000 2.593 153 S HA 0.270 4.486 4.470 -0.424 0.000 0.217 153 S C 0.758 175.367 174.600 0.015 0.000 0.966 153 S CA -0.007 58.252 58.200 0.099 0.000 0.914 153 S CB 0.019 63.261 63.200 0.070 0.000 0.776 153 S HN 0.287 8.597 8.310 0.000 0.000 0.523 154 I N 3.104 123.683 120.570 0.016 0.000 2.281 154 I HA 0.218 4.134 4.170 -0.424 0.000 0.293 154 I C 0.277 176.352 176.117 -0.070 0.000 1.085 154 I CA -0.277 61.006 61.300 -0.028 0.000 1.257 154 I CB 0.430 38.425 38.000 -0.008 0.000 1.430 154 I HN -0.113 8.097 8.210 0.000 0.000 0.489 155 R N 4.099 124.513 120.500 -0.143 0.000 2.390 155 R HA 0.299 4.385 4.340 -0.424 0.000 0.291 155 R C 0.420 176.709 176.300 -0.020 0.000 1.070 155 R CA -0.298 55.700 56.100 -0.171 0.000 1.014 155 R CB 0.945 31.058 30.300 -0.311 0.000 1.007 155 R HN 0.656 8.926 8.270 0.000 0.000 0.466 156 S N 0.548 116.246 115.700 -0.003 0.000 3.697 156 S HA -0.111 4.105 4.470 -0.424 0.000 0.388 156 S C 1.190 175.774 174.600 -0.028 0.000 0.941 156 S CA 0.549 58.781 58.200 0.052 0.000 1.247 156 S CB -1.477 61.899 63.200 0.294 0.000 0.904 156 S HN 0.696 9.006 8.310 0.000 0.000 0.518 157 V N -2.915 116.900 119.914 -0.164 0.000 2.913 157 V HA 0.295 4.161 4.120 -0.424 0.000 0.260 157 V C 0.613 176.500 176.094 -0.344 0.000 1.098 157 V CA 1.866 63.989 62.300 -0.295 0.000 1.121 157 V CB -0.334 31.155 31.823 -0.557 0.000 0.714 157 V HN 0.530 8.720 8.190 0.000 0.000 0.487 158 K N 0.474 120.727 120.400 -0.245 0.000 2.569 158 K HA 0.583 4.649 4.320 -0.424 0.000 0.259 158 K C -0.636 175.957 176.600 -0.012 0.000 0.932 158 K CA 0.418 56.640 56.287 -0.109 0.000 0.833 158 K CB 1.928 34.349 32.500 -0.132 0.000 1.340 158 K HN 0.523 8.773 8.250 0.000 0.000 0.429 159 T N -0.888 113.704 114.554 0.063 0.000 2.812 159 T HA 0.809 4.905 4.350 -0.424 0.000 0.294 159 T C -1.419 173.349 174.700 0.113 0.000 1.159 159 T CA -0.765 61.396 62.100 0.102 0.000 1.008 159 T CB 1.548 70.548 68.868 0.220 0.000 1.289 159 T HN 0.549 8.789 8.240 0.000 0.000 0.514 160 V N -0.269 119.719 119.914 0.124 0.000 2.932 160 V HA 0.803 4.669 4.120 -0.424 0.000 0.307 160 V C -0.220 175.999 176.094 0.209 0.000 1.147 160 V CA -0.211 62.182 62.300 0.155 0.000 0.951 160 V CB 1.566 33.478 31.823 0.148 0.000 1.031 160 V HN 1.529 9.719 8.190 0.000 0.000 0.426 161 K N 3.682 124.226 120.400 0.240 0.000 2.436 161 K HA 0.444 4.510 4.320 -0.424 0.000 0.275 161 K C -0.985 175.837 176.600 0.371 0.000 0.999 161 K CA 0.544 56.994 56.287 0.273 0.000 0.980 161 K CB 0.483 33.121 32.500 0.230 0.000 0.919 161 K HN 1.197 9.447 8.250 0.000 0.000 0.484 162 W N 1.170 122.496 121.300 0.043 0.000 3.029 162 W HA 0.544 4.867 4.660 -0.562 0.000 0.339 162 W C -1.505 174.991 176.519 -0.038 0.000 1.198 162 W CA -0.945 56.285 57.345 -0.192 0.000 1.148 162 W CB 1.761 31.018 29.460 -0.338 0.000 1.451 162 W HN 0.670 8.850 8.180 0.000 0.000 0.564 163 D N 3.235 123.190 120.400 -0.742 0.000 2.375 163 D HA 0.244 4.630 4.640 -0.424 0.000 0.247 163 D C -0.818 174.843 176.300 -1.065 0.000 1.061 163 D CA -0.731 52.930 54.000 -0.565 0.000 0.834 163 D CB 2.203 42.965 40.800 -0.063 0.000 1.247 163 D HN 0.308 8.678 8.370 0.000 0.000 0.489 164 R N 2.072 122.078 120.500 -0.824 0.000 2.349 164 R HA 0.384 4.470 4.340 -0.424 0.000 0.299 164 R C -0.512 175.583 176.300 -0.341 0.000 1.027 164 R CA -0.426 55.272 56.100 -0.670 0.000 0.958 164 R CB 0.784 30.819 30.300 -0.441 0.000 1.047 164 R HN 0.350 8.620 8.270 0.000 0.000 0.468 165 R N 3.299 123.665 120.500 -0.224 0.000 2.468 165 R HA 0.094 4.180 4.340 -0.424 0.000 0.302 165 R C -1.313 174.929 176.300 -0.096 0.000 1.041 165 R CA -0.818 55.139 56.100 -0.238 0.000 0.899 165 R CB 1.405 31.395 30.300 -0.515 0.000 1.167 165 R HN 0.698 8.967 8.270 0.000 0.000 0.483 166 D N 1.253 121.606 120.400 -0.079 0.000 2.581 166 D HA 0.033 4.419 4.640 -0.424 0.000 0.238 166 D C 1.307 177.599 176.300 -0.013 0.000 1.145 166 D CA 2.275 56.255 54.000 -0.033 0.000 0.866 166 D CB 0.493 41.269 40.800 -0.039 0.000 1.151 166 D HN 0.761 9.131 8.370 0.000 0.000 0.500 167 G N 3.008 111.821 108.800 0.021 0.000 2.184 167 G HA2 -0.327 3.379 3.960 -0.424 0.000 0.264 167 G HA3 -0.327 3.379 3.960 -0.424 0.000 0.264 167 G C 0.226 175.150 174.900 0.040 0.000 0.975 167 G CA 0.242 45.361 45.100 0.031 0.000 0.642 167 G HN 0.597 8.887 8.290 0.000 0.000 0.536 168 Q N 0.796 120.624 119.800 0.048 0.000 2.278 168 Q HA 0.542 4.628 4.340 -0.424 0.000 0.257 168 Q C -0.083 176.006 176.000 0.148 0.000 0.928 168 Q CA -0.297 55.554 55.803 0.080 0.000 0.932 168 Q CB 1.398 30.141 28.738 0.009 0.000 1.221 168 Q HN 0.264 8.534 8.270 0.000 0.000 0.434 169 S N 2.224 117.981 115.700 0.095 0.000 2.549 169 S HA 0.179 4.395 4.470 -0.424 0.000 0.283 169 S C -0.468 174.088 174.600 -0.074 0.000 1.320 169 S CA -0.413 57.782 58.200 -0.008 0.000 1.058 169 S CB 0.292 63.493 63.200 0.002 0.000 0.882 169 S HN 0.376 8.686 8.310 0.000 0.000 0.498 170 L N 4.696 125.663 121.223 -0.427 0.000 2.298 170 L HA 0.438 4.524 4.340 -0.424 0.000 0.284 170 L C -0.601 175.949 176.870 -0.535 0.000 1.013 170 L CA -0.288 54.173 54.840 -0.632 0.000 0.824 170 L CB 0.859 42.323 42.059 -0.992 0.000 1.221 170 L HN 0.464 8.694 8.230 0.000 0.000 0.418 171 N N 4.255 122.753 118.700 -0.337 0.000 2.444 171 N HA 0.417 4.903 4.740 -0.424 0.000 0.271 171 N C -1.126 174.185 175.510 -0.332 0.000 1.069 171 N CA -0.171 52.718 53.050 -0.268 0.000 0.965 171 N CB 2.039 40.439 38.487 -0.145 0.000 1.092 171 N HN 0.352 8.732 8.380 0.000 0.000 0.476 172 V N 2.753 122.364 119.914 -0.505 0.000 2.680 172 V HA 0.452 4.318 4.120 -0.424 0.000 0.309 172 V C -0.422 175.359 176.094 -0.521 0.000 1.052 172 V CA -0.889 61.058 62.300 -0.589 0.000 0.908 172 V CB 2.088 33.293 31.823 -1.029 0.000 1.001 172 V HN 0.407 8.597 8.190 0.000 0.000 0.431 173 L N 5.448 126.521 121.223 -0.250 0.000 2.372 173 L HA 0.729 4.815 4.340 -0.424 0.000 0.274 173 L C -0.825 176.027 176.870 -0.030 0.000 0.988 173 L CA -0.099 54.665 54.840 -0.127 0.000 0.833 173 L CB 1.789 43.804 42.059 -0.073 0.000 1.236 173 L HN 0.455 8.685 8.230 0.000 0.000 0.410 174 V N 3.851 123.786 119.914 0.034 0.000 2.384 174 V HA 0.724 4.590 4.120 -0.424 0.000 0.287 174 V C 0.123 176.307 176.094 0.150 0.000 1.020 174 V CA -0.186 62.202 62.300 0.148 0.000 0.850 174 V CB 1.736 33.713 31.823 0.257 0.000 0.987 174 V HN 0.878 9.068 8.190 0.000 0.000 0.436 175 T N 1.840 116.445 114.554 0.084 0.000 2.893 175 T HA 0.786 4.882 4.350 -0.424 0.000 0.291 175 T C -1.174 173.452 174.700 -0.123 0.000 1.028 175 T CA -0.632 61.446 62.100 -0.038 0.000 0.995 175 T CB 2.084 70.909 68.868 -0.073 0.000 1.051 175 T HN 0.361 8.601 8.240 0.000 0.000 0.470 176 F N 2.783 122.377 119.950 -0.594 0.000 2.536 176 F HA 0.564 4.836 4.527 -0.426 0.000 0.322 176 F C -0.887 174.654 175.800 -0.431 0.000 1.144 176 F CA -1.176 56.441 58.000 -0.640 0.000 0.924 176 F CB 1.790 40.023 39.000 -1.278 0.000 1.181 176 F HN 0.716 9.016 8.300 0.000 0.000 0.438 177 N N 8.313 126.390 118.700 -1.039 0.000 2.501 177 N HA 0.328 4.814 4.740 -0.424 0.000 0.245 177 N C -2.054 172.865 175.510 -0.985 0.000 0.974 177 N CA -2.392 50.209 53.050 -0.747 0.000 0.941 177 N CB 2.111 40.335 38.487 -0.439 0.000 1.122 177 N HN 0.336 8.716 8.380 0.000 0.000 0.507 178 P HA -0.090 4.330 4.420 0.000 0.000 0.220 178 P C 0.937 178.086 177.300 -0.252 0.000 1.148 178 P CA 0.945 63.808 63.100 -0.395 0.000 0.803 178 P CB 0.516 32.158 31.700 -0.096 0.000 0.782 179 S N -0.026 115.538 115.700 -0.226 0.000 2.368 179 S HA -0.091 4.125 4.470 -0.424 0.000 0.224 179 S C 2.002 176.509 174.600 -0.154 0.000 1.029 179 S CA 2.187 60.298 58.200 -0.147 0.000 0.988 179 S CB -1.100 62.028 63.200 -0.121 0.000 0.838 179 S HN 0.465 8.775 8.310 0.000 0.000 0.462 180 T N -1.725 112.700 114.554 -0.214 0.000 3.014 180 T HA 0.287 4.383 4.350 -0.424 0.000 0.250 180 T C 0.687 175.272 174.700 -0.191 0.000 1.060 180 T CA -0.109 61.885 62.100 -0.177 0.000 1.040 180 T CB -0.099 68.669 68.868 -0.167 0.000 0.971 180 T HN 0.307 8.547 8.240 0.000 0.000 0.497 181 R N 0.234 120.547 120.500 -0.312 0.000 3.951 181 R HA -0.135 3.951 4.340 -0.424 0.000 0.352 181 R C -0.623 175.616 176.300 -0.102 0.000 1.178 181 R CA 0.596 56.567 56.100 -0.214 0.000 0.949 181 R CB -2.496 27.804 30.300 -0.001 0.000 1.452 181 R HN 0.480 8.750 8.270 0.000 0.000 0.540 182 N N 1.115 119.669 118.700 -0.243 0.000 2.430 182 N HA 0.249 4.735 4.740 -0.424 0.000 0.265 182 N C -0.891 174.617 175.510 -0.004 0.000 1.100 182 N CA -0.317 52.677 53.050 -0.093 0.000 0.961 182 N CB 0.786 39.203 38.487 -0.117 0.000 1.075 182 N HN 0.167 8.547 8.380 0.000 0.000 0.478 183 L N 3.908 125.250 121.223 0.199 0.000 2.264 183 L HA 0.461 4.547 4.340 -0.424 0.000 0.287 183 L C -0.973 175.999 176.870 0.170 0.000 1.039 183 L CA -0.293 54.721 54.840 0.289 0.000 0.829 183 L CB 0.344 42.617 42.059 0.355 0.000 1.211 183 L HN 0.513 8.743 8.230 0.000 0.000 0.427 184 D N 4.144 124.606 120.400 0.104 0.000 2.163 184 D HA 0.483 4.869 4.640 -0.424 0.000 0.248 184 D C -0.863 175.494 176.300 0.094 0.000 1.035 184 D CA -0.119 53.927 54.000 0.077 0.000 0.872 184 D CB 2.613 43.426 40.800 0.021 0.000 1.183 184 D HN 0.253 8.623 8.370 0.000 0.000 0.445 185 V N 2.018 121.984 119.914 0.086 0.000 2.577 185 V HA 0.369 4.235 4.120 -0.424 0.000 0.303 185 V C -0.211 175.922 176.094 0.065 0.000 1.042 185 V CA -0.756 61.597 62.300 0.088 0.000 0.872 185 V CB 2.168 34.044 31.823 0.088 0.000 0.998 185 V HN 0.276 8.466 8.190 0.000 0.000 0.423 186 V N 3.612 123.553 119.914 0.046 0.000 2.577 186 V HA 0.902 4.768 4.120 -0.424 0.000 0.303 186 V C 0.001 176.109 176.094 0.022 0.000 1.042 186 V CA -0.394 61.929 62.300 0.038 0.000 0.872 186 V CB 1.833 33.661 31.823 0.009 0.000 0.998 186 V HN 1.032 9.222 8.190 0.000 0.000 0.423 187 A N 3.442 126.307 122.820 0.076 0.000 2.386 187 A HA 1.021 5.087 4.320 -0.424 0.000 0.311 187 A C -0.211 177.423 177.584 0.083 0.000 1.068 187 A CA -0.348 51.713 52.037 0.041 0.000 0.743 187 A CB 2.080 21.137 19.000 0.096 0.000 1.258 187 A HN 1.034 9.184 8.150 0.000 0.000 0.429 188 T N -1.181 113.345 114.554 -0.048 0.000 2.894 188 T HA 0.701 4.797 4.350 -0.424 0.000 0.309 188 T C -0.886 173.743 174.700 -0.118 0.000 1.208 188 T CA -0.481 61.603 62.100 -0.027 0.000 1.016 188 T CB 0.779 69.639 68.868 -0.013 0.000 1.192 188 T HN 0.457 8.697 8.240 0.000 0.000 0.491 189 Y N 0.630 120.999 120.300 0.114 0.000 2.519 189 Y HA 0.427 4.717 4.550 -0.433 0.000 0.324 189 Y C 2.276 178.193 175.900 0.028 0.000 1.214 189 Y CA -0.309 57.836 58.100 0.075 0.000 1.260 189 Y CB 1.612 40.137 38.460 0.107 0.000 1.311 189 Y HN 0.900 9.180 8.280 0.000 0.000 0.505 190 S N -1.010 114.816 115.700 0.210 0.000 2.500 190 S HA -0.178 4.038 4.470 -0.424 0.000 0.239 190 S C 0.882 175.529 174.600 0.079 0.000 0.989 190 S CA 1.387 59.649 58.200 0.103 0.000 0.951 190 S CB -0.396 62.851 63.200 0.078 0.000 0.759 190 S HN 0.816 9.126 8.310 0.000 0.000 0.523 191 D N -0.076 120.382 120.400 0.098 0.000 2.339 191 D HA 0.244 4.630 4.640 -0.424 0.000 0.217 191 D C 1.426 177.755 176.300 0.050 0.000 1.050 191 D CA 0.647 54.681 54.000 0.056 0.000 0.856 191 D CB -0.367 40.455 40.800 0.037 0.000 0.922 191 D HN 0.567 8.937 8.370 0.000 0.000 0.518 192 G N -0.130 108.709 108.800 0.065 0.000 2.213 192 G HA2 -0.253 3.453 3.960 -0.424 0.000 0.226 192 G HA3 -0.253 3.453 3.960 -0.424 0.000 0.226 192 G C 0.474 175.388 174.900 0.023 0.000 0.992 192 G CA 0.112 45.233 45.100 0.034 0.000 0.632 192 G HN 0.417 8.707 8.290 0.000 0.000 0.511 193 T N 1.552 116.142 114.554 0.060 0.000 2.905 193 T HA 0.378 4.474 4.350 -0.424 0.000 0.299 193 T C 0.427 175.071 174.700 -0.094 0.000 1.024 193 T CA 0.949 63.048 62.100 -0.002 0.000 1.151 193 T CB 0.999 69.947 68.868 0.133 0.000 0.987 193 T HN 0.659 8.899 8.240 0.000 0.000 0.535 194 R N 1.924 122.248 120.500 -0.292 0.000 2.686 194 R HA 0.515 4.601 4.340 -0.424 0.000 0.283 194 R C -1.775 174.235 176.300 -0.484 0.000 0.978 194 R CA -0.753 55.185 56.100 -0.269 0.000 0.897 194 R CB 1.238 31.476 30.300 -0.103 0.000 1.192 194 R HN 0.624 8.894 8.270 0.000 0.000 0.457 195 Y N 1.286 121.640 120.300 0.090 0.000 2.462 195 Y HA 0.361 4.702 4.550 -0.349 0.000 0.346 195 Y C -0.482 175.450 175.900 0.052 0.000 0.976 195 Y CA -0.812 57.350 58.100 0.103 0.000 1.044 195 Y CB 2.224 40.779 38.460 0.158 0.000 1.230 195 Y HN 0.589 8.869 8.280 0.000 0.000 0.455 196 E N 0.887 121.197 120.200 0.183 0.000 2.343 196 E HA 0.755 4.851 4.350 -0.424 0.000 0.278 196 E C -2.160 174.499 176.600 0.099 0.000 0.910 196 E CA -1.138 55.329 56.400 0.111 0.000 0.757 196 E CB 2.822 32.564 29.700 0.069 0.000 1.218 196 E HN 0.446 8.806 8.360 0.000 0.000 0.435 197 V N 1.366 121.327 119.914 0.078 0.000 2.891 197 V HA 0.675 4.540 4.120 -0.424 0.000 0.304 197 V C -1.698 174.450 176.094 0.091 0.000 1.171 197 V CA 0.096 62.443 62.300 0.079 0.000 0.943 197 V CB 2.236 34.092 31.823 0.054 0.000 1.037 197 V HN 0.991 9.181 8.190 0.000 0.000 0.427 198 S N 5.429 121.198 115.700 0.115 0.000 2.564 198 S HA 0.869 5.085 4.470 -0.424 0.000 0.274 198 S C -1.395 173.338 174.600 0.222 0.000 1.124 198 S CA -0.680 57.602 58.200 0.137 0.000 0.869 198 S CB 2.008 65.257 63.200 0.082 0.000 1.105 198 S HN 1.397 9.707 8.310 0.000 0.000 0.472 199 Y N 0.292 120.631 120.300 0.064 0.000 2.519 199 Y HA 0.451 4.752 4.550 -0.414 0.000 0.336 199 Y C -0.817 175.132 175.900 0.082 0.000 1.089 199 Y CA -0.522 57.617 58.100 0.065 0.000 1.025 199 Y CB 1.586 40.087 38.460 0.069 0.000 1.318 199 Y HN 0.957 9.237 8.280 0.000 0.000 0.452 200 E N 4.251 124.174 120.200 -0.461 0.000 2.316 200 E HA 0.490 4.586 4.350 -0.424 0.000 0.275 200 E C -1.789 174.690 176.600 -0.201 0.000 1.029 200 E CA -0.301 55.938 56.400 -0.269 0.000 0.871 200 E CB 1.342 30.866 29.700 -0.294 0.000 1.022 200 E HN 0.501 8.861 8.360 0.000 0.000 0.418 201 V N 5.004 124.966 119.914 0.079 0.000 2.752 201 V HA 0.132 3.998 4.120 -0.424 0.000 0.302 201 V C -1.495 174.687 176.094 0.146 0.000 1.133 201 V CA -0.884 61.494 62.300 0.130 0.000 0.919 201 V CB 2.023 33.972 31.823 0.210 0.000 1.026 201 V HN 0.771 8.961 8.190 0.000 0.000 0.429 202 D N 5.098 125.529 120.400 0.051 0.000 2.393 202 D HA 0.145 4.531 4.640 -0.424 0.000 0.232 202 D C 1.346 177.587 176.300 -0.099 0.000 1.192 202 D CA 0.420 54.420 54.000 0.001 0.000 0.882 202 D CB 1.751 42.517 40.800 -0.056 0.000 1.038 202 D HN 0.670 9.040 8.370 0.000 0.000 0.499 203 V N 3.227 123.049 119.914 -0.152 0.000 2.546 203 V HA -0.251 3.615 4.120 -0.424 0.000 0.254 203 V C 1.986 177.861 176.094 -0.366 0.000 1.076 203 V CA 1.241 63.397 62.300 -0.239 0.000 1.087 203 V CB -0.666 30.989 31.823 -0.280 0.000 0.674 203 V HN 0.404 8.594 8.190 0.000 0.000 0.470 204 R N 1.778 121.884 120.500 -0.656 0.000 2.189 204 R HA -0.041 4.045 4.340 -0.424 0.000 0.223 204 R C 2.492 178.468 176.300 -0.540 0.000 1.092 204 R CA 1.424 56.804 56.100 -1.201 0.000 0.989 204 R CB -0.482 28.991 30.300 -1.377 0.000 0.876 204 R HN 0.820 9.090 8.270 0.000 0.000 0.457 205 S N -0.363 115.170 115.700 -0.279 0.000 2.528 205 S HA -0.008 4.207 4.470 -0.424 0.000 0.219 205 S C 1.701 176.279 174.600 -0.037 0.000 0.985 205 S CA 0.517 58.645 58.200 -0.120 0.000 0.914 205 S CB 0.400 63.555 63.200 -0.075 0.000 0.776 205 S HN 0.228 8.538 8.310 0.000 0.000 0.526 206 V N -2.817 117.081 119.914 -0.028 0.000 3.426 206 V HA 0.553 4.419 4.120 -0.424 0.000 0.271 206 V C -0.034 176.106 176.094 0.076 0.000 1.530 206 V CA -0.426 61.894 62.300 0.033 0.000 1.021 206 V CB -0.277 31.567 31.823 0.036 0.000 0.824 206 V HN 0.332 8.522 8.190 0.000 0.000 0.432 207 L N 2.287 123.576 121.223 0.110 0.000 2.354 207 L HA 0.659 4.745 4.340 -0.424 0.000 0.264 207 L C -2.537 174.594 176.870 0.435 0.000 1.008 207 L CA -2.042 52.920 54.840 0.204 0.000 0.819 207 L CB 2.912 45.069 42.059 0.163 0.000 1.339 207 L HN -0.035 8.195 8.230 0.000 0.000 0.420 208 P HA 0.108 4.528 4.420 0.000 0.000 0.275 208 P C -0.107 177.293 177.300 0.167 0.000 1.266 208 P CA -0.293 62.983 63.100 0.294 0.000 0.793 208 P CB 0.998 32.790 31.700 0.154 0.000 1.074 209 E N -0.375 119.619 120.200 -0.342 0.000 2.118 209 E HA -0.151 3.945 4.350 -0.424 0.000 0.195 209 E C -0.138 176.281 176.600 -0.302 0.000 0.992 209 E CA 1.505 57.437 56.400 -0.780 0.000 0.804 209 E CB -0.058 29.231 29.700 -0.686 0.000 0.741 209 E HN 0.470 8.830 8.360 0.000 0.000 0.458 210 W N 0.351 121.584 121.300 -0.110 0.000 2.573 210 W HA 0.371 4.777 4.660 -0.424 0.000 0.326 210 W C -0.235 176.268 176.519 -0.028 0.000 1.049 210 W CA -0.718 56.592 57.345 -0.058 0.000 1.220 210 W CB 1.255 30.631 29.460 -0.141 0.000 1.373 210 W HN -0.256 7.924 8.180 0.000 0.000 0.507 211 V N 0.098 120.124 119.914 0.187 0.000 3.156 211 V HA 0.712 4.577 4.120 -0.424 0.000 0.310 211 V C -0.742 175.371 176.094 0.031 0.000 1.234 211 V CA -1.817 60.526 62.300 0.072 0.000 1.065 211 V CB 2.209 34.034 31.823 0.003 0.000 1.088 211 V HN 0.552 8.742 8.190 0.000 0.000 0.451 212 R N 0.036 120.490 120.500 -0.076 0.000 2.750 212 R HA 0.849 4.935 4.340 -0.424 0.000 0.281 212 R C -1.254 174.860 176.300 -0.310 0.000 0.972 212 R CA -0.577 55.450 56.100 -0.122 0.000 0.912 212 R CB 2.347 32.579 30.300 -0.113 0.000 1.187 212 R HN 0.992 9.262 8.270 0.000 0.000 0.464 213 V N -1.194 118.551 119.914 -0.283 0.000 2.815 213 V HA 1.025 4.891 4.120 -0.424 0.000 0.314 213 V C 0.089 175.963 176.094 -0.366 0.000 1.064 213 V CA -0.344 61.678 62.300 -0.464 0.000 0.952 213 V CB 1.647 33.284 31.823 -0.310 0.000 1.020 213 V HN 0.967 9.157 8.190 0.000 0.000 0.439 214 G N 1.539 109.816 108.800 -0.873 0.000 2.435 214 G HA2 0.623 4.329 3.960 -0.424 0.000 0.296 214 G HA3 0.623 4.329 3.960 -0.424 0.000 0.296 214 G C -2.060 172.263 174.900 -0.961 0.000 1.240 214 G CA -0.619 44.045 45.100 -0.727 0.000 0.872 214 G HN 0.726 9.016 8.290 0.000 0.000 0.480 215 F N -0.195 119.595 119.950 -0.267 0.000 2.603 215 F HA 0.864 5.128 4.527 -0.439 0.000 0.317 215 F C 0.402 176.205 175.800 0.005 0.000 1.066 215 F CA -0.789 57.135 58.000 -0.126 0.000 0.941 215 F CB 2.555 41.315 39.000 -0.399 0.000 1.291 215 F HN 0.566 8.866 8.300 0.000 0.000 0.472 216 S N 0.725 116.446 115.700 0.035 0.000 2.564 216 S HA 0.953 5.169 4.470 -0.424 0.000 0.274 216 S C -1.510 172.974 174.600 -0.194 0.000 1.124 216 S CA -0.202 57.895 58.200 -0.172 0.000 0.869 216 S CB 1.629 64.532 63.200 -0.495 0.000 1.105 216 S HN 1.207 9.517 8.310 0.000 0.000 0.472 217 A N 1.384 124.058 122.820 -0.243 0.000 2.608 217 A HA 0.978 5.044 4.320 -0.424 0.000 0.292 217 A C -1.019 176.345 177.584 -0.367 0.000 1.066 217 A CA -0.129 51.678 52.037 -0.384 0.000 0.676 217 A CB 0.962 19.638 19.000 -0.539 0.000 1.277 217 A HN 1.864 10.014 8.150 0.000 0.000 0.413 218 A N -0.049 122.517 122.820 -0.423 0.000 2.610 218 A HA 0.902 4.967 4.320 -0.424 0.000 0.291 218 A C -0.743 176.789 177.584 -0.086 0.000 1.086 218 A CA -0.168 51.744 52.037 -0.208 0.000 0.677 218 A CB 1.293 20.221 19.000 -0.120 0.000 1.278 218 A HN 1.655 9.805 8.150 0.000 0.000 0.414 219 S N -0.559 115.158 115.700 0.028 0.000 2.575 219 S HA 0.673 4.889 4.470 -0.424 0.000 0.278 219 S C 0.518 175.163 174.600 0.075 0.000 1.139 219 S CA -0.032 58.248 58.200 0.134 0.000 0.954 219 S CB 1.732 65.087 63.200 0.259 0.000 1.054 219 S HN 1.467 9.777 8.310 0.000 0.000 0.483 220 G N 1.327 110.162 108.800 0.057 0.000 3.380 220 G HA2 0.218 3.924 3.960 -0.424 0.000 0.188 220 G HA3 0.218 3.924 3.960 -0.424 0.000 0.188 220 G C 0.580 175.532 174.900 0.087 0.000 1.892 220 G CA -0.038 45.079 45.100 0.028 0.000 0.912 220 G HN 0.569 8.859 8.290 0.000 0.000 0.609 221 E N 0.405 120.650 120.200 0.076 0.000 2.107 221 E HA 0.010 4.106 4.350 -0.424 0.000 0.191 221 E C 0.883 177.620 176.600 0.228 0.000 0.982 221 E CA 0.664 57.138 56.400 0.123 0.000 0.809 221 E CB -0.105 29.638 29.700 0.072 0.000 0.756 221 E HN 0.284 8.644 8.360 0.000 0.000 0.459 222 Q N 0.092 119.981 119.800 0.148 0.000 2.230 222 Q HA 0.355 4.441 4.340 -0.424 0.000 0.248 222 Q C -0.734 175.367 176.000 0.168 0.000 0.915 222 Q CA -0.373 55.464 55.803 0.058 0.000 0.900 222 Q CB 0.930 29.673 28.738 0.009 0.000 1.229 222 Q HN 0.058 8.328 8.270 0.000 0.000 0.439 223 Y N -1.861 118.478 120.300 0.064 0.000 2.615 223 Y HA 0.743 5.039 4.550 -0.423 0.000 0.341 223 Y C -0.905 175.024 175.900 0.050 0.000 1.089 223 Y CA -1.313 56.833 58.100 0.077 0.000 1.049 223 Y CB 1.390 39.885 38.460 0.058 0.000 1.296 223 Y HN 0.611 8.891 8.280 0.000 0.000 0.470 224 Q N -0.737 119.173 119.800 0.185 0.000 2.721 224 Q HA 0.475 4.561 4.340 -0.424 0.000 0.282 224 Q C -1.602 174.342 176.000 -0.093 0.000 0.932 224 Q CA -1.018 54.784 55.803 -0.002 0.000 0.816 224 Q CB 1.809 30.473 28.738 -0.123 0.000 1.506 224 Q HN 0.885 9.155 8.270 0.000 0.000 0.399 225 T N -0.922 113.576 114.554 -0.093 0.000 2.913 225 T HA 0.437 4.533 4.350 -0.424 0.000 0.297 225 T C -0.591 173.961 174.700 -0.247 0.000 1.029 225 T CA -0.218 61.849 62.100 -0.054 0.000 1.104 225 T CB 0.303 69.180 68.868 0.014 0.000 0.964 225 T HN 0.616 8.856 8.240 0.000 0.000 0.532 226 H N 0.494 119.594 119.070 0.050 0.000 2.675 226 H HA 0.382 4.672 4.556 -0.444 0.000 0.258 226 H C -0.400 174.923 175.328 -0.009 0.000 1.271 226 H CA -0.567 55.491 56.048 0.017 0.000 1.462 226 H CB 0.531 30.269 29.762 -0.041 0.000 1.467 226 H HN 0.649 8.929 8.280 0.000 0.000 0.501 227 T N 3.633 118.253 114.554 0.110 0.000 2.762 227 T HA 0.133 4.229 4.350 -0.424 0.000 0.303 227 T C 0.104 174.851 174.700 0.078 0.000 0.977 227 T CA -0.624 61.521 62.100 0.075 0.000 0.961 227 T CB 0.297 69.219 68.868 0.090 0.000 0.944 227 T HN 0.226 8.466 8.240 0.000 0.000 0.481 228 L N 4.254 125.435 121.223 -0.070 0.000 2.325 228 L HA 0.297 4.383 4.340 -0.424 0.000 0.284 228 L C 1.089 177.999 176.870 0.068 0.000 1.089 228 L CA 0.381 55.136 54.840 -0.140 0.000 0.836 228 L CB 0.186 41.906 42.059 -0.565 0.000 1.184 228 L HN 0.592 8.822 8.230 0.000 0.000 0.444 229 E N 1.852 122.182 120.200 0.216 0.000 2.122 229 E HA 0.067 4.163 4.350 -0.424 0.000 0.190 229 E C 0.042 176.885 176.600 0.405 0.000 0.977 229 E CA 0.827 57.401 56.400 0.292 0.000 0.820 229 E CB 0.224 30.036 29.700 0.188 0.000 0.770 229 E HN 0.752 9.112 8.360 0.000 0.000 0.462 230 S N -1.069 114.878 115.700 0.412 0.000 2.588 230 S HA 0.545 4.760 4.470 -0.424 0.000 0.269 230 S C -2.060 172.854 174.600 0.523 0.000 1.157 230 S CA -1.068 57.325 58.200 0.322 0.000 0.824 230 S CB 1.841 65.157 63.200 0.194 0.000 1.126 230 S HN 0.234 8.544 8.310 0.000 0.000 0.464 231 W N 1.728 123.175 121.300 0.246 0.000 3.953 231 W HA 0.624 5.039 4.660 -0.409 0.000 0.286 231 W C -1.616 175.155 176.519 0.420 0.000 1.256 231 W CA -0.081 57.513 57.345 0.414 0.000 1.244 231 W CB 1.198 30.980 29.460 0.537 0.000 1.262 231 W HN 1.317 9.497 8.180 0.000 0.000 0.522 232 S N 4.709 120.574 115.700 0.276 0.000 2.570 232 S HA 0.904 5.120 4.470 -0.424 0.000 0.286 232 S C -1.598 172.848 174.600 -0.257 0.000 1.099 232 S CA -0.627 57.517 58.200 -0.094 0.000 0.913 232 S CB 2.707 65.894 63.200 -0.022 0.000 1.085 232 S HN 0.806 9.116 8.310 0.000 0.000 0.480 233 F N 0.627 120.072 119.950 -0.841 0.000 2.641 233 F HA 0.726 4.996 4.527 -0.428 0.000 0.308 233 F C -0.918 174.475 175.800 -0.677 0.000 1.105 233 F CA 0.007 57.538 58.000 -0.782 0.000 0.964 233 F CB 2.082 40.354 39.000 -1.215 0.000 1.294 233 F HN 0.891 9.191 8.300 0.000 0.000 0.442 234 T N 3.052 116.976 114.554 -1.051 0.000 2.923 234 T HA 0.664 4.760 4.350 -0.424 0.000 0.311 234 T C -1.927 172.372 174.700 -0.668 0.000 1.183 234 T CA -0.398 61.335 62.100 -0.611 0.000 1.020 234 T CB 1.445 70.114 68.868 -0.332 0.000 1.165 234 T HN 0.865 9.105 8.240 0.000 0.000 0.482 235 S N 1.958 117.519 115.700 -0.231 0.000 2.533 235 S HA 0.742 4.958 4.470 -0.424 0.000 0.271 235 S C -1.409 173.207 174.600 0.027 0.000 1.143 235 S CA -0.377 57.808 58.200 -0.024 0.000 0.891 235 S CB 1.969 65.288 63.200 0.200 0.000 1.105 235 S HN 0.938 9.248 8.310 0.000 0.000 0.468 236 T N 4.509 119.083 114.554 0.032 0.000 3.172 236 T HA 0.451 4.547 4.350 -0.424 0.000 0.320 236 T C -1.212 173.480 174.700 -0.013 0.000 1.085 236 T CA -0.541 61.561 62.100 0.004 0.000 1.052 236 T CB 0.530 69.389 68.868 -0.015 0.000 1.107 236 T HN 0.632 8.872 8.240 0.000 0.000 0.458 237 L N 5.394 126.579 121.223 -0.063 0.000 2.410 237 L HA 0.503 4.589 4.340 -0.424 0.000 0.273 237 L C -0.281 176.501 176.870 -0.147 0.000 1.152 237 L CA -0.271 54.491 54.840 -0.130 0.000 0.855 237 L CB 0.477 42.390 42.059 -0.243 0.000 1.129 237 L HN 0.492 8.722 8.230 0.000 0.000 0.463 238 L N 2.899 124.038 121.223 -0.139 0.000 2.354 238 L HA 0.474 4.560 4.340 -0.424 0.000 0.264 238 L C -0.603 176.172 176.870 -0.157 0.000 1.008 238 L CA -0.852 53.916 54.840 -0.120 0.000 0.819 238 L CB 1.914 43.948 42.059 -0.041 0.000 1.339 238 L HN 0.318 8.548 8.230 0.000 0.000 0.420 239 Y N 0.000 120.296 120.300 -0.007 0.000 2.660 239 Y HA 0.000 4.296 4.550 -0.423 0.000 0.201 239 Y CA 0.000 58.099 58.100 -0.002 0.000 1.940 239 Y CB 0.000 38.458 38.460 -0.003 0.000 1.050 239 Y HN 0.000 8.280 8.280 0.000 0.000 0.758