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 3l2g_1_I DATA FIRST_RESID 24 DATA SEQUENCE KFKAADNFPD LSKHNNVMAS QLTKELYEKY WDKVTPNGVT FDKCIQTGVD DATA SEQUENCE NPGNKFYGKK TGCVFGDEYS YECYKEFFDK CIEEIHHFKP SDKHPAPDLD DATA SEQUENCE HNKLVGGVFE DKYVKSCRIR CGRSVKGVCL PPAMSRAERR LVEKVVSDAL DATA SEQUENCE GGLKGDLAGK YYPLTTMNEK DQEQLIEDHF LFEKPTGALL TTSGCARDWP DATA SEQUENCE DGRGIWHNNE KNFLVWINEE DHIRVISMQK GGDLKAVFSR FARGLLEVER DATA SEQUENCE LMKECGHGLM HNDRLGYICT CPTNMGTVVR ASVHLRLAFL EKHPRFDEML DATA SEQUENCE GKLRLGKRGT GGESSLATDS TYDISNWARL GKSERELVQV LVDGVNLLIA DATA SEQUENCE CDKKLEAGQS IDDMIPK 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 24 K HA 0.000 nan 4.320 nan 0.000 0.191 24 K C 0.000 176.416 176.600 -0.306 0.000 0.988 24 K CA 0.000 56.120 56.287 -0.279 0.000 0.838 24 K CB 0.000 32.192 32.500 -0.514 0.000 1.064 25 F N 3.721 123.767 119.950 0.160 0.000 2.411 25 F HA 0.474 5.001 4.527 -0.000 0.000 0.352 25 F C 0.243 176.182 175.800 0.231 0.000 1.123 25 F CA -0.906 57.206 58.000 0.187 0.000 1.044 25 F CB 1.525 40.669 39.000 0.240 0.000 1.135 25 F HN -0.174 nan 8.300 nan 0.000 0.461 26 K N 1.562 122.136 120.400 0.291 0.000 2.258 26 K HA 0.380 4.700 4.320 -0.000 0.000 0.264 26 K C 0.954 177.431 176.600 -0.205 0.000 1.007 26 K CA 0.060 56.411 56.287 0.107 0.000 0.941 26 K CB 0.967 33.491 32.500 0.039 0.000 0.966 26 K HN 0.755 nan 8.250 nan 0.000 0.480 27 A N 2.090 124.596 122.820 -0.523 0.000 2.019 27 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 27 A C 2.104 179.400 177.584 -0.480 0.000 1.164 27 A CA 1.968 53.274 52.037 -1.218 0.000 0.644 27 A CB -0.604 17.640 19.000 -1.259 0.000 0.805 27 A HN 0.821 nan 8.150 nan 0.000 0.449 28 A N 0.172 122.829 122.820 -0.271 0.000 2.019 28 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 28 A C 1.615 179.119 177.584 -0.133 0.000 1.164 28 A CA 1.649 53.581 52.037 -0.176 0.000 0.644 28 A CB -0.427 18.497 19.000 -0.126 0.000 0.805 28 A HN 0.495 nan 8.150 nan 0.000 0.449 29 D N -0.532 119.790 120.400 -0.129 0.000 2.219 29 D HA -0.100 4.540 4.640 -0.000 0.000 0.205 29 D C 1.324 177.524 176.300 -0.167 0.000 0.970 29 D CA 1.266 55.207 54.000 -0.097 0.000 0.851 29 D CB -0.231 40.563 40.800 -0.010 0.000 0.943 29 D HN 0.488 nan 8.370 nan 0.000 0.488 30 N N -0.858 117.707 118.700 -0.224 0.000 2.282 30 N HA 0.002 4.742 4.740 -0.000 0.000 0.185 30 N C -0.203 175.099 175.510 -0.346 0.000 1.099 30 N CA -0.357 52.577 53.050 -0.193 0.000 0.878 30 N CB 0.141 38.608 38.487 -0.035 0.000 0.993 30 N HN -0.081 nan 8.380 nan 0.000 0.481 31 F N 3.657 123.186 119.950 -0.702 0.000 2.623 31 F HA 0.118 4.645 4.527 -0.000 0.000 0.383 31 F C -1.721 173.725 175.800 -0.591 0.000 1.077 31 F CA -2.172 55.216 58.000 -1.020 0.000 1.268 31 F CB 0.114 38.711 39.000 -0.671 0.000 1.053 31 F HN 0.108 nan 8.300 nan 0.000 0.571 32 P HA 0.020 nan 4.420 nan 0.000 0.270 32 P C -1.128 175.647 177.300 -0.876 0.000 1.223 32 P CA -0.199 62.402 63.100 -0.832 0.000 0.785 32 P CB 0.627 31.901 31.700 -0.710 0.000 0.923 33 D N 1.538 121.627 120.400 -0.519 0.000 2.485 33 D HA 0.185 4.825 4.640 -0.000 0.000 0.229 33 D C 0.217 176.286 176.300 -0.384 0.000 1.101 33 D CA -0.329 53.456 54.000 -0.359 0.000 0.906 33 D CB -0.420 40.269 40.800 -0.185 0.000 1.019 33 D HN 0.158 nan 8.370 nan 0.000 0.516 34 L N 2.173 123.115 121.223 -0.467 0.000 2.741 34 L HA 0.153 4.493 4.340 -0.000 0.000 0.237 34 L C 2.047 178.882 176.870 -0.058 0.000 1.178 34 L CA -0.212 54.264 54.840 -0.606 0.000 0.973 34 L CB 0.089 41.789 42.059 -0.598 0.000 1.255 34 L HN 0.140 nan 8.230 nan 0.000 0.498 35 S N 0.726 116.424 115.700 -0.002 0.000 2.407 35 S HA -0.228 4.242 4.470 -0.000 0.000 0.235 35 S C 1.884 176.542 174.600 0.097 0.000 1.036 35 S CA 1.649 59.877 58.200 0.047 0.000 1.013 35 S CB -0.111 63.103 63.200 0.023 0.000 0.820 35 S HN 0.550 nan 8.310 nan 0.000 0.476 36 K N -0.059 120.451 120.400 0.184 0.000 2.211 36 K HA 0.081 4.401 4.320 -0.000 0.000 0.201 36 K C -0.035 176.610 176.600 0.074 0.000 1.052 36 K CA 0.336 56.670 56.287 0.079 0.000 0.973 36 K CB -0.130 32.347 32.500 -0.038 0.000 0.766 36 K HN 0.400 nan 8.250 nan 0.000 0.466 37 H N 1.498 120.549 119.070 -0.031 0.000 2.848 37 H HA 0.090 4.646 4.556 -0.000 0.000 0.341 37 H C -0.565 174.761 175.328 -0.004 0.000 1.060 37 H CA 0.058 56.093 56.048 -0.023 0.000 1.444 37 H CB 0.215 29.956 29.762 -0.036 0.000 1.446 37 H HN 0.121 nan 8.280 nan 0.000 0.583 38 N N 2.576 121.330 118.700 0.090 0.000 2.623 38 N HA 0.173 4.913 4.740 -0.000 0.000 0.256 38 N C -1.429 174.129 175.510 0.080 0.000 1.045 38 N CA -0.630 52.463 53.050 0.072 0.000 0.863 38 N CB 0.287 38.797 38.487 0.039 0.000 1.182 38 N HN 0.822 nan 8.380 nan 0.000 0.523 39 N N 0.081 118.839 118.700 0.098 0.000 3.348 39 N HA 0.056 4.796 4.740 -0.000 0.000 0.233 39 N C 0.107 175.685 175.510 0.113 0.000 1.440 39 N CA -0.795 52.318 53.050 0.105 0.000 0.887 39 N CB 0.540 39.089 38.487 0.104 0.000 1.410 39 N HN -0.105 nan 8.380 nan 0.000 0.502 40 V N -0.078 119.908 119.914 0.120 0.000 2.252 40 V HA -0.268 3.852 4.120 -0.000 0.000 0.249 40 V C 2.475 178.651 176.094 0.137 0.000 1.056 40 V CA 2.292 64.663 62.300 0.119 0.000 1.022 40 V CB -0.757 31.132 31.823 0.110 0.000 0.641 40 V HN 0.811 nan 8.190 nan 0.000 0.445 41 M N 0.593 120.297 119.600 0.173 0.000 2.089 41 M HA -0.245 4.235 4.480 -0.000 0.000 0.257 41 M C 2.138 178.566 176.300 0.214 0.000 1.071 41 M CA 2.828 58.294 55.300 0.276 0.000 1.096 41 M CB -0.849 31.895 32.600 0.240 0.000 1.330 41 M HN 0.376 nan 8.290 nan 0.000 0.403 42 A N -1.161 121.734 122.820 0.124 0.000 2.067 42 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 42 A C 2.186 179.830 177.584 0.099 0.000 1.158 42 A CA 1.899 53.978 52.037 0.071 0.000 0.661 42 A CB -0.626 18.411 19.000 0.061 0.000 0.801 42 A HN 0.636 nan 8.150 nan 0.000 0.452 43 S N -0.745 115.026 115.700 0.120 0.000 2.458 43 S HA -0.020 4.450 4.470 -0.000 0.000 0.223 43 S C 1.681 176.361 174.600 0.132 0.000 1.019 43 S CA 0.753 59.019 58.200 0.111 0.000 0.937 43 S CB 0.039 63.297 63.200 0.097 0.000 0.788 43 S HN 0.629 nan 8.310 nan 0.000 0.511 44 Q N 0.011 119.916 119.800 0.174 0.000 2.246 44 Q HA 0.335 4.675 4.340 -0.000 0.000 0.222 44 Q C -0.032 176.163 176.000 0.325 0.000 0.851 44 Q CA -0.095 55.824 55.803 0.192 0.000 0.945 44 Q CB 0.046 28.842 28.738 0.097 0.000 1.122 44 Q HN 0.367 nan 8.270 nan 0.000 0.508 45 L N 2.462 123.904 121.223 0.365 0.000 2.349 45 L HA 0.302 4.642 4.340 -0.000 0.000 0.275 45 L C 0.022 177.094 176.870 0.337 0.000 1.115 45 L CA 0.296 55.379 54.840 0.404 0.000 0.820 45 L CB 1.137 43.379 42.059 0.306 0.000 1.135 45 L HN 0.084 nan 8.230 nan 0.000 0.445 46 T N 0.181 114.919 114.554 0.307 0.000 2.916 46 T HA 0.439 4.789 4.350 -0.000 0.000 0.292 46 T C 0.858 175.539 174.700 -0.033 0.000 1.064 46 T CA -0.794 61.396 62.100 0.151 0.000 1.011 46 T CB 1.449 70.366 68.868 0.081 0.000 1.152 46 T HN 0.619 nan 8.240 nan 0.000 0.510 47 K N 0.382 120.538 120.400 -0.407 0.000 2.001 47 K HA -0.174 4.146 4.320 -0.000 0.000 0.214 47 K C 2.189 178.635 176.600 -0.258 0.000 1.050 47 K CA 1.885 57.755 56.287 -0.695 0.000 0.934 47 K CB -0.266 31.848 32.500 -0.644 0.000 0.718 47 K HN 0.827 nan 8.250 nan 0.000 0.443 48 E N 1.201 121.306 120.200 -0.158 0.000 2.055 48 E HA -0.282 4.068 4.350 -0.000 0.000 0.209 48 E C 2.070 178.623 176.600 -0.079 0.000 1.036 48 E CA 1.691 58.032 56.400 -0.098 0.000 0.849 48 E CB -0.193 29.467 29.700 -0.066 0.000 0.767 48 E HN 0.241 nan 8.360 nan 0.000 0.461 49 L N -0.223 120.992 121.223 -0.014 0.000 1.997 49 L HA -0.259 4.081 4.340 -0.000 0.000 0.216 49 L C 2.691 179.570 176.870 0.014 0.000 1.074 49 L CA 2.009 56.852 54.840 0.006 0.000 0.763 49 L CB -0.689 41.497 42.059 0.211 0.000 0.890 49 L HN 0.349 nan 8.230 nan 0.000 0.434 50 Y N 0.659 121.006 120.300 0.078 0.000 2.081 50 Y HA -0.340 4.210 4.550 -0.000 0.000 0.280 50 Y C 2.770 178.712 175.900 0.071 0.000 1.163 50 Y CA 2.088 60.317 58.100 0.214 0.000 1.135 50 Y CB -0.210 38.416 38.460 0.276 0.000 0.970 50 Y HN 0.174 nan 8.280 nan 0.000 0.498 51 E N 0.852 121.074 120.200 0.037 0.000 2.130 51 E HA -0.313 4.037 4.350 -0.000 0.000 0.196 51 E C 2.199 178.788 176.600 -0.018 0.000 0.998 51 E CA 1.822 58.192 56.400 -0.050 0.000 0.806 51 E CB -0.276 29.382 29.700 -0.071 0.000 0.738 51 E HN 0.581 nan 8.360 nan 0.000 0.459 52 K N -0.834 119.454 120.400 -0.188 0.000 2.057 52 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 52 K C 1.474 177.861 176.600 -0.354 0.000 1.050 52 K CA 1.368 57.447 56.287 -0.346 0.000 0.935 52 K CB -0.115 32.001 32.500 -0.640 0.000 0.715 52 K HN 0.206 nan 8.250 nan 0.000 0.439 53 Y N -0.757 119.360 120.300 -0.304 0.000 2.467 53 Y HA 0.040 4.590 4.550 -0.000 0.000 0.250 53 Y C 1.589 177.246 175.900 -0.405 0.000 1.155 53 Y CA -0.838 56.950 58.100 -0.520 0.000 1.249 53 Y CB 0.364 38.026 38.460 -1.331 0.000 1.146 53 Y HN 0.305 nan 8.280 nan 0.000 0.524 54 W N 2.066 123.163 121.300 -0.338 0.000 2.467 54 W HA -0.079 4.581 4.660 -0.000 0.000 0.275 54 W C 0.234 176.696 176.519 -0.096 0.000 1.239 54 W CA 1.351 58.523 57.345 -0.289 0.000 1.266 54 W CB -0.445 28.644 29.460 -0.619 0.000 1.112 54 W HN 0.249 nan 8.180 nan 0.000 0.576 55 D N 0.464 120.516 120.400 -0.579 0.000 2.388 55 D HA 0.123 4.763 4.640 -0.000 0.000 0.221 55 D C -0.252 175.921 176.300 -0.211 0.000 1.133 55 D CA -0.069 53.567 54.000 -0.607 0.000 0.831 55 D CB -0.379 40.078 40.800 -0.572 0.000 0.962 55 D HN 0.047 nan 8.370 nan 0.000 0.502 56 K N 0.835 121.200 120.400 -0.059 0.000 2.307 56 K HA 0.438 4.758 4.320 -0.000 0.000 0.263 56 K C -1.046 175.656 176.600 0.171 0.000 0.973 56 K CA -0.644 55.694 56.287 0.085 0.000 0.846 56 K CB 1.864 34.498 32.500 0.222 0.000 1.100 56 K HN -0.164 nan 8.250 nan 0.000 0.438 57 V N 2.206 122.179 119.914 0.098 0.000 2.850 57 V HA 0.334 4.454 4.120 -0.000 0.000 0.315 57 V C 0.520 176.657 176.094 0.072 0.000 1.064 57 V CA -0.881 61.489 62.300 0.118 0.000 0.979 57 V CB 1.699 33.547 31.823 0.043 0.000 1.039 57 V HN 0.958 nan 8.190 nan 0.000 0.452 58 T N 0.340 114.942 114.554 0.080 0.000 2.874 58 T HA 0.322 4.672 4.350 -0.000 0.000 0.281 58 T C -1.788 172.862 174.700 -0.083 0.000 0.994 58 T CA -1.684 60.401 62.100 -0.025 0.000 1.015 58 T CB 1.316 70.220 68.868 0.060 0.000 1.028 58 T HN 0.449 nan 8.240 nan 0.000 0.523 59 P HA -0.094 nan 4.420 nan 0.000 0.217 59 P C 1.161 178.399 177.300 -0.104 0.000 1.148 59 P CA 0.985 63.935 63.100 -0.251 0.000 0.834 59 P CB -0.024 31.354 31.700 -0.537 0.000 0.783 60 N N -1.815 116.871 118.700 -0.024 0.000 2.463 60 N HA 0.034 4.774 4.740 -0.000 0.000 0.181 60 N C 1.343 176.885 175.510 0.054 0.000 1.078 60 N CA 1.380 54.462 53.050 0.053 0.000 0.902 60 N CB -0.290 38.276 38.487 0.132 0.000 0.970 60 N HN 0.178 nan 8.380 nan 0.000 0.451 61 G N -0.486 108.344 108.800 0.050 0.000 2.144 61 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 61 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 61 G C -0.131 174.823 174.900 0.090 0.000 0.988 61 G CA -0.019 45.115 45.100 0.056 0.000 0.659 61 G HN 0.154 nan 8.290 nan 0.000 0.522 62 V N 1.954 121.946 119.914 0.131 0.000 2.686 62 V HA 0.608 4.728 4.120 -0.000 0.000 0.295 62 V C 1.213 177.440 176.094 0.222 0.000 1.055 62 V CA 0.663 63.068 62.300 0.176 0.000 1.050 62 V CB 1.307 33.263 31.823 0.222 0.000 0.984 62 V HN 0.709 nan 8.190 nan 0.000 0.482 63 T N 1.178 115.846 114.554 0.190 0.000 2.948 63 T HA 0.422 4.772 4.350 -0.000 0.000 0.285 63 T C 0.589 175.364 174.700 0.124 0.000 1.019 63 T CA -0.444 61.752 62.100 0.161 0.000 1.013 63 T CB 1.144 70.057 68.868 0.075 0.000 1.117 63 T HN 0.315 nan 8.240 nan 0.000 0.533 64 F N 0.814 120.606 119.950 -0.263 0.000 2.186 64 F HA 0.026 4.553 4.527 -0.000 0.000 0.299 64 F C 1.827 177.483 175.800 -0.239 0.000 1.090 64 F CA 1.131 58.793 58.000 -0.565 0.000 1.307 64 F CB -0.633 37.977 39.000 -0.649 0.000 1.019 64 F HN 0.595 nan 8.300 nan 0.000 0.489 65 D N 0.283 120.613 120.400 -0.116 0.000 2.097 65 D HA -0.174 4.466 4.640 -0.000 0.000 0.195 65 D C 2.321 178.564 176.300 -0.094 0.000 0.989 65 D CA 0.938 54.873 54.000 -0.109 0.000 0.827 65 D CB -0.179 40.642 40.800 0.035 0.000 0.966 65 D HN 0.146 nan 8.370 nan 0.000 0.456 66 K N 0.659 121.050 120.400 -0.015 0.000 2.063 66 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 66 K C 2.271 178.885 176.600 0.024 0.000 1.048 66 K CA 0.525 56.828 56.287 0.027 0.000 0.928 66 K CB -0.634 31.914 32.500 0.079 0.000 0.713 66 K HN 0.207 nan 8.250 nan 0.000 0.442 67 C N 0.645 119.963 119.300 0.030 0.000 2.425 67 C HA -0.106 4.354 4.460 -0.000 0.000 0.277 67 C C 2.530 177.499 174.990 -0.035 0.000 1.280 67 C CA 0.896 59.969 59.018 0.092 0.000 1.744 67 C CB -0.772 27.117 27.740 0.249 0.000 1.989 67 C HN 0.594 nan 8.230 nan 0.000 0.491 68 I N -1.228 119.198 120.570 -0.241 0.000 3.968 68 I HA 0.088 4.258 4.170 -0.000 0.000 0.328 68 I C 2.234 178.265 176.117 -0.143 0.000 1.290 68 I CA 0.574 61.716 61.300 -0.265 0.000 1.163 68 I CB -0.642 37.021 38.000 -0.562 0.000 1.024 68 I HN 0.106 nan 8.210 nan 0.000 0.413 69 Q N 1.838 121.580 119.800 -0.098 0.000 2.118 69 Q HA -0.275 4.065 4.340 -0.000 0.000 0.211 69 Q C 2.310 178.296 176.000 -0.024 0.000 0.998 69 Q CA 3.247 59.019 55.803 -0.051 0.000 0.872 69 Q CB -0.892 27.833 28.738 -0.021 0.000 0.925 69 Q HN 0.568 nan 8.270 nan 0.000 0.414 70 T N -1.610 112.941 114.554 -0.006 0.000 2.833 70 T HA -0.075 4.275 4.350 -0.000 0.000 0.269 70 T C 1.500 176.216 174.700 0.026 0.000 1.054 70 T CA 1.425 63.532 62.100 0.012 0.000 1.135 70 T CB -0.588 68.291 68.868 0.018 0.000 0.869 70 T HN 0.534 nan 8.240 nan 0.000 0.466 71 G N 0.060 108.875 108.800 0.026 0.000 2.534 71 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.217 71 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.217 71 G C 1.557 176.520 174.900 0.105 0.000 1.128 71 G CA 0.796 45.931 45.100 0.059 0.000 0.784 71 G HN 0.509 nan 8.290 nan 0.000 0.542 72 V N 1.012 120.953 119.914 0.046 0.000 2.535 72 V HA -0.050 4.070 4.120 -0.000 0.000 0.246 72 V C 2.259 178.440 176.094 0.145 0.000 1.045 72 V CA 1.652 64.001 62.300 0.081 0.000 1.058 72 V CB -0.154 31.637 31.823 -0.054 0.000 0.689 72 V HN 0.201 nan 8.190 nan 0.000 0.461 73 D N 0.371 120.803 120.400 0.054 0.000 2.269 73 D HA -0.038 4.602 4.640 -0.000 0.000 0.208 73 D C 0.794 177.090 176.300 -0.008 0.000 0.963 73 D CA 0.866 54.877 54.000 0.019 0.000 0.864 73 D CB -0.145 40.658 40.800 0.004 0.000 0.936 73 D HN 0.430 nan 8.370 nan 0.000 0.505 74 N N 1.108 119.813 118.700 0.008 0.000 2.841 74 N HA 0.108 4.848 4.740 -0.000 0.000 0.257 74 N C -2.020 173.463 175.510 -0.046 0.000 1.396 74 N CA -0.923 52.112 53.050 -0.025 0.000 0.823 74 N CB 2.290 40.780 38.487 0.005 0.000 1.162 74 N HN 0.039 nan 8.380 nan 0.000 0.503 75 P HA -0.051 nan 4.420 nan 0.000 0.222 75 P C 0.639 177.861 177.300 -0.131 0.000 1.147 75 P CA 0.951 63.848 63.100 -0.339 0.000 0.790 75 P CB 0.773 32.077 31.700 -0.659 0.000 0.780 76 G N -0.836 107.906 108.800 -0.097 0.000 2.721 76 G HA2 0.460 4.420 3.960 -0.000 0.000 0.296 76 G HA3 0.460 4.420 3.960 -0.000 0.000 0.296 76 G C -1.971 172.904 174.900 -0.042 0.000 1.383 76 G CA -0.403 44.661 45.100 -0.059 0.000 0.788 76 G HN 0.059 nan 8.290 nan 0.000 0.500 77 N N -0.882 117.794 118.700 -0.041 0.000 2.500 77 N HA 0.257 4.997 4.740 -0.000 0.000 0.291 77 N C 0.650 176.079 175.510 -0.135 0.000 1.092 77 N CA -0.626 52.402 53.050 -0.038 0.000 0.890 77 N CB 2.106 40.623 38.487 0.051 0.000 1.466 77 N HN 0.405 nan 8.380 nan 0.000 0.507 78 K N 1.527 121.736 120.400 -0.318 0.000 2.280 78 K HA -0.010 4.310 4.320 -0.000 0.000 0.202 78 K C -0.077 176.110 176.600 -0.688 0.000 1.047 78 K CA 1.196 57.132 56.287 -0.586 0.000 0.942 78 K CB -0.037 31.921 32.500 -0.904 0.000 0.739 78 K HN 0.390 nan 8.250 nan 0.000 0.457 79 F N -0.987 118.889 119.950 -0.123 0.000 2.695 79 F HA 0.291 4.818 4.527 -0.000 0.000 0.392 79 F C 0.581 176.305 175.800 -0.126 0.000 1.209 79 F CA -1.418 56.420 58.000 -0.270 0.000 1.138 79 F CB -0.199 38.625 39.000 -0.293 0.000 1.557 79 F HN -0.219 nan 8.300 nan 0.000 0.496 80 Y N 0.110 120.578 120.300 0.281 0.000 2.309 80 Y HA 0.485 5.035 4.550 -0.000 0.000 0.327 80 Y C 0.717 176.700 175.900 0.139 0.000 1.172 80 Y CA -0.159 58.032 58.100 0.150 0.000 1.280 80 Y CB 0.353 38.889 38.460 0.127 0.000 1.234 80 Y HN 0.729 nan 8.280 nan 0.000 0.512 81 G N 2.110 111.054 108.800 0.239 0.000 2.539 81 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.686 81 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.686 81 G C -1.674 173.319 174.900 0.156 0.000 1.258 81 G CA -1.174 44.039 45.100 0.187 0.000 0.846 81 G HN 0.633 nan 8.290 nan 0.000 0.647 82 K N 0.829 121.323 120.400 0.156 0.000 2.234 82 K HA 0.421 4.741 4.320 -0.000 0.000 0.277 82 K C 0.293 177.027 176.600 0.223 0.000 1.038 82 K CA -0.879 55.501 56.287 0.155 0.000 0.888 82 K CB 0.419 32.984 32.500 0.109 0.000 1.091 82 K HN 0.308 nan 8.250 nan 0.000 0.467 83 K N 1.914 122.407 120.400 0.156 0.000 2.258 83 K HA 0.069 4.389 4.320 -0.000 0.000 0.264 83 K C 0.960 177.631 176.600 0.120 0.000 1.007 83 K CA 0.010 56.376 56.287 0.132 0.000 0.941 83 K CB 1.056 33.615 32.500 0.098 0.000 0.966 83 K HN 0.644 nan 8.250 nan 0.000 0.480 84 T N -0.012 114.593 114.554 0.085 0.000 2.698 84 T HA -0.013 4.337 4.350 -0.000 0.000 0.260 84 T C 1.049 175.805 174.700 0.094 0.000 1.044 84 T CA 1.263 63.406 62.100 0.072 0.000 1.149 84 T CB -0.373 68.505 68.868 0.017 0.000 0.864 84 T HN 0.793 nan 8.240 nan 0.000 0.419 85 G N 1.182 110.029 108.800 0.078 0.000 2.137 85 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.237 85 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.237 85 G C 0.236 175.192 174.900 0.093 0.000 1.002 85 G CA 0.009 45.158 45.100 0.082 0.000 0.702 85 G HN 1.244 nan 8.290 nan 0.000 0.515 86 C N -1.695 117.672 119.300 0.112 0.000 3.090 86 C HA 0.911 5.371 4.460 -0.000 0.000 0.347 86 C C -0.079 174.987 174.990 0.127 0.000 1.147 86 C CA -0.588 58.528 59.018 0.162 0.000 1.305 86 C CB 1.549 29.499 27.740 0.350 0.000 1.692 86 C HN 1.761 nan 8.230 nan 0.000 0.506 87 V N -1.133 118.860 119.914 0.131 0.000 3.078 87 V HA 0.737 4.857 4.120 -0.000 0.000 0.311 87 V C -0.499 175.680 176.094 0.143 0.000 1.138 87 V CA -0.945 61.358 62.300 0.004 0.000 1.007 87 V CB 1.635 33.462 31.823 0.008 0.000 1.045 87 V HN 0.906 nan 8.190 nan 0.000 0.432 88 F N 1.313 121.342 119.950 0.132 0.000 2.484 88 F HA 0.556 5.083 4.527 -0.000 0.000 0.360 88 F C 1.666 177.533 175.800 0.111 0.000 1.101 88 F CA 0.328 58.384 58.000 0.094 0.000 1.251 88 F CB 1.474 40.446 39.000 -0.048 0.000 1.132 88 F HN 0.801 nan 8.300 nan 0.000 0.570 89 G N 1.012 110.027 108.800 0.357 0.000 2.510 89 G HA2 0.031 3.991 3.960 -0.000 0.000 0.212 89 G HA3 0.031 3.991 3.960 -0.000 0.000 0.212 89 G C -0.298 174.713 174.900 0.185 0.000 1.151 89 G CA 0.328 45.571 45.100 0.239 0.000 0.817 89 G HN 0.657 nan 8.290 nan 0.000 0.534 90 D N -1.834 118.672 120.400 0.175 0.000 2.798 90 D HA 0.162 4.802 4.640 -0.000 0.000 0.308 90 D C 0.735 177.019 176.300 -0.027 0.000 1.187 90 D CA -0.728 53.333 54.000 0.101 0.000 1.033 90 D CB 0.691 41.591 40.800 0.167 0.000 1.445 90 D HN -0.022 nan 8.370 nan 0.000 0.550 91 E N -1.290 118.806 120.200 -0.172 0.000 2.204 91 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 91 E C 0.684 177.004 176.600 -0.467 0.000 0.990 91 E CA 1.039 57.210 56.400 -0.381 0.000 0.821 91 E CB -0.113 29.275 29.700 -0.520 0.000 0.750 91 E HN 0.494 nan 8.360 nan 0.000 0.477 92 Y N -0.568 119.670 120.300 -0.104 0.000 2.511 92 Y HA 0.139 4.689 4.550 -0.000 0.000 0.279 92 Y C 2.425 178.195 175.900 -0.217 0.000 1.157 92 Y CA 0.182 58.195 58.100 -0.145 0.000 1.300 92 Y CB 0.222 38.613 38.460 -0.115 0.000 1.052 92 Y HN -0.028 nan 8.280 nan 0.000 0.529 93 S N 0.155 115.822 115.700 -0.055 0.000 2.365 93 S HA -0.313 4.157 4.470 -0.000 0.000 0.225 93 S C 1.835 176.374 174.600 -0.102 0.000 1.039 93 S CA 1.920 60.120 58.200 -0.000 0.000 1.033 93 S CB -0.726 62.620 63.200 0.244 0.000 0.887 93 S HN 0.707 nan 8.310 nan 0.000 0.447 94 Y N 1.922 121.897 120.300 -0.542 0.000 2.207 94 Y HA -0.173 4.377 4.550 -0.000 0.000 0.287 94 Y C 2.139 177.970 175.900 -0.115 0.000 1.156 94 Y CA 1.717 59.507 58.100 -0.517 0.000 1.182 94 Y CB -0.047 37.928 38.460 -0.807 0.000 0.979 94 Y HN 0.284 nan 8.280 nan 0.000 0.521 95 E N -1.304 118.586 120.200 -0.517 0.000 2.364 95 E HA -0.059 4.291 4.350 -0.000 0.000 0.196 95 E C 2.134 178.495 176.600 -0.400 0.000 0.990 95 E CA 0.641 56.721 56.400 -0.533 0.000 0.886 95 E CB -0.117 29.426 29.700 -0.262 0.000 0.866 95 E HN 0.505 nan 8.360 nan 0.000 0.493 96 C N 0.270 119.274 119.300 -0.493 0.000 2.440 96 C HA -0.110 4.350 4.460 -0.000 0.000 0.278 96 C C 1.627 176.137 174.990 -0.801 0.000 1.295 96 C CA 0.554 59.168 59.018 -0.673 0.000 1.738 96 C CB -0.971 26.182 27.740 -0.979 0.000 1.987 96 C HN 0.400 nan 8.230 nan 0.000 0.492 97 Y N 0.278 120.348 120.300 -0.384 0.000 2.736 97 Y HA 0.206 4.756 4.550 -0.000 0.000 0.293 97 Y C 1.776 177.506 175.900 -0.284 0.000 1.062 97 Y CA -0.495 57.042 58.100 -0.940 0.000 1.247 97 Y CB -0.388 37.798 38.460 -0.456 0.000 1.200 97 Y HN 0.194 nan 8.280 nan 0.000 0.552 98 K N 1.855 122.174 120.400 -0.134 0.000 2.015 98 K HA -0.319 4.001 4.320 -0.000 0.000 0.216 98 K C 1.854 178.603 176.600 0.249 0.000 1.052 98 K CA 2.395 58.646 56.287 -0.060 0.000 0.937 98 K CB -0.076 32.292 32.500 -0.221 0.000 0.719 98 K HN 0.540 nan 8.250 nan 0.000 0.446 99 E N -0.619 119.780 120.200 0.330 0.000 2.233 99 E HA -0.233 4.117 4.350 -0.000 0.000 0.199 99 E C 1.786 178.622 176.600 0.393 0.000 1.004 99 E CA 1.476 58.090 56.400 0.357 0.000 0.819 99 E CB -0.233 29.680 29.700 0.355 0.000 0.738 99 E HN 0.479 nan 8.360 nan 0.000 0.478 100 F N -0.540 119.604 119.950 0.323 0.000 2.219 100 F HA 0.008 4.535 4.527 -0.000 0.000 0.294 100 F C 1.407 177.304 175.800 0.161 0.000 1.086 100 F CA 0.852 58.977 58.000 0.207 0.000 1.330 100 F CB -0.259 38.846 39.000 0.176 0.000 1.047 100 F HN -0.038 nan 8.300 nan 0.000 0.495 101 F N 1.338 121.353 119.950 0.109 0.000 2.206 101 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 101 F C 2.246 178.122 175.800 0.127 0.000 1.090 101 F CA 1.401 59.433 58.000 0.053 0.000 1.323 101 F CB -0.915 38.409 39.000 0.539 0.000 1.028 101 F HN -0.033 nan 8.300 nan 0.000 0.492 102 D N 0.147 120.799 120.400 0.420 0.000 2.218 102 D HA -0.139 4.501 4.640 -0.000 0.000 0.204 102 D C 2.104 178.537 176.300 0.222 0.000 0.976 102 D CA 0.914 55.123 54.000 0.348 0.000 0.853 102 D CB -0.208 40.789 40.800 0.329 0.000 0.939 102 D HN 0.289 nan 8.370 nan 0.000 0.481 103 K N 0.151 120.626 120.400 0.125 0.000 2.007 103 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 103 K C 2.361 178.989 176.600 0.047 0.000 1.047 103 K CA 0.804 57.135 56.287 0.073 0.000 0.937 103 K CB -0.221 32.301 32.500 0.037 0.000 0.718 103 K HN 0.191 nan 8.250 nan 0.000 0.438 104 C N 1.188 120.450 119.300 -0.063 0.000 2.432 104 C HA -0.083 4.377 4.460 -0.000 0.000 0.277 104 C C 2.644 177.698 174.990 0.106 0.000 1.249 104 C CA 0.393 59.397 59.018 -0.025 0.000 1.725 104 C CB -0.868 26.786 27.740 -0.144 0.000 2.028 104 C HN 0.411 nan 8.230 nan 0.000 0.477 105 I N 0.971 121.650 120.570 0.182 0.000 2.208 105 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 105 I C 2.719 179.033 176.117 0.328 0.000 1.097 105 I CA 1.951 63.422 61.300 0.285 0.000 1.363 105 I CB -0.612 37.549 38.000 0.269 0.000 1.051 105 I HN 0.501 nan 8.210 nan 0.000 0.413 106 E N 0.905 121.273 120.200 0.280 0.000 2.153 106 E HA -0.281 4.069 4.350 -0.000 0.000 0.194 106 E C 2.121 178.887 176.600 0.277 0.000 0.988 106 E CA 1.208 57.777 56.400 0.282 0.000 0.811 106 E CB 0.023 29.841 29.700 0.196 0.000 0.746 106 E HN 0.462 nan 8.360 nan 0.000 0.466 107 E N 0.071 120.400 120.200 0.215 0.000 2.230 107 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 107 E C 1.933 178.690 176.600 0.261 0.000 0.987 107 E CA 0.598 57.128 56.400 0.215 0.000 0.841 107 E CB 0.103 29.891 29.700 0.147 0.000 0.783 107 E HN 0.382 nan 8.360 nan 0.000 0.481 108 I N 0.010 120.678 120.570 0.163 0.000 2.400 108 I HA -0.131 4.039 4.170 -0.000 0.000 0.248 108 I C 1.944 177.975 176.117 -0.144 0.000 1.109 108 I CA 0.717 62.008 61.300 -0.014 0.000 1.425 108 I CB -0.129 37.666 38.000 -0.341 0.000 1.094 108 I HN 0.132 nan 8.210 nan 0.000 0.425 109 H N -0.908 118.277 119.070 0.193 0.000 2.874 109 H HA 0.163 4.719 4.556 -0.000 0.000 0.264 109 H C -0.036 175.470 175.328 0.296 0.000 1.007 109 H CA 0.068 56.209 56.048 0.154 0.000 1.207 109 H CB 0.463 30.283 29.762 0.097 0.000 1.487 109 H HN 0.298 nan 8.280 nan 0.000 0.505 110 H N -1.059 118.187 119.070 0.292 0.000 2.903 110 H HA -0.184 4.372 4.556 -0.000 0.000 0.285 110 H C -0.677 174.806 175.328 0.258 0.000 1.231 110 H CA 0.442 56.624 56.048 0.225 0.000 1.135 110 H CB -2.659 27.210 29.762 0.179 0.000 1.328 110 H HN 0.305 nan 8.280 nan 0.000 0.388 111 F N 1.350 121.454 119.950 0.257 0.000 2.426 111 F HA 0.424 4.951 4.527 -0.000 0.000 0.348 111 F C 0.162 176.043 175.800 0.135 0.000 1.124 111 F CA -0.769 57.334 58.000 0.172 0.000 1.008 111 F CB 0.777 39.864 39.000 0.145 0.000 1.139 111 F HN -0.096 nan 8.300 nan 0.000 0.452 112 K N 7.022 127.311 120.400 -0.185 0.000 2.095 112 K HA 0.336 4.656 4.320 -0.000 0.000 0.252 112 K C -2.002 174.548 176.600 -0.084 0.000 0.977 112 K CA -1.792 54.458 56.287 -0.061 0.000 0.900 112 K CB 0.963 33.417 32.500 -0.077 0.000 1.060 112 K HN 0.333 nan 8.250 nan 0.000 0.449 113 P HA -0.171 nan 4.420 nan 0.000 0.229 113 P C 0.638 177.965 177.300 0.044 0.000 1.150 113 P CA 1.207 64.385 63.100 0.131 0.000 0.765 113 P CB 0.106 31.894 31.700 0.147 0.000 0.783 114 S N -3.029 112.641 115.700 -0.051 0.000 2.524 114 S HA 0.084 4.554 4.470 -0.000 0.000 0.215 114 S C 0.610 175.122 174.600 -0.147 0.000 0.986 114 S CA -0.440 57.722 58.200 -0.064 0.000 0.911 114 S CB -0.295 62.874 63.200 -0.050 0.000 0.805 114 S HN -0.042 nan 8.310 nan 0.000 0.501 115 D N 1.882 122.065 120.400 -0.361 0.000 2.387 115 D HA 0.474 5.114 4.640 -0.000 0.000 0.251 115 D C -0.394 175.744 176.300 -0.270 0.000 1.141 115 D CA -0.080 53.606 54.000 -0.522 0.000 0.987 115 D CB 0.892 41.020 40.800 -1.120 0.000 1.116 115 D HN 0.221 nan 8.370 nan 0.000 0.491 116 K N -0.201 120.175 120.400 -0.039 0.000 2.422 116 K HA 0.212 4.532 4.320 -0.000 0.000 0.251 116 K C -1.094 175.717 176.600 0.351 0.000 0.933 116 K CA -0.748 55.665 56.287 0.210 0.000 0.798 116 K CB 1.435 33.991 32.500 0.093 0.000 1.238 116 K HN 0.326 nan 8.250 nan 0.000 0.428 117 H N 4.400 123.615 119.070 0.241 0.000 2.819 117 H HA 0.210 4.766 4.556 -0.000 0.000 0.303 117 H C -1.980 173.405 175.328 0.095 0.000 1.058 117 H CA -1.400 54.737 56.048 0.149 0.000 1.471 117 H CB 0.630 30.394 29.762 0.003 0.000 1.480 117 H HN 0.375 nan 8.280 nan 0.000 0.517 118 P HA 0.087 nan 4.420 nan 0.000 0.271 118 P C -0.663 176.458 177.300 -0.299 0.000 1.238 118 P CA -0.471 62.482 63.100 -0.244 0.000 0.794 118 P CB 0.511 32.105 31.700 -0.178 0.000 0.959 119 A N 1.637 124.382 122.820 -0.124 0.000 2.407 119 A HA 0.393 4.713 4.320 -0.000 0.000 0.248 119 A C -1.979 175.580 177.584 -0.043 0.000 1.082 119 A CA -1.108 50.893 52.037 -0.060 0.000 0.785 119 A CB -1.531 17.457 19.000 -0.018 0.000 1.020 119 A HN 0.405 nan 8.150 nan 0.000 0.489 120 P HA 0.131 nan 4.420 nan 0.000 0.262 120 P C -0.970 176.377 177.300 0.078 0.000 1.182 120 P CA 0.464 63.615 63.100 0.085 0.000 0.761 120 P CB 0.409 32.176 31.700 0.111 0.000 0.795 121 D N 3.071 123.539 120.400 0.115 0.000 2.454 121 D HA 0.210 4.850 4.640 -0.000 0.000 0.247 121 D C 0.177 176.595 176.300 0.197 0.000 1.129 121 D CA -0.274 53.800 54.000 0.123 0.000 0.877 121 D CB 0.496 41.364 40.800 0.113 0.000 1.082 121 D HN 0.185 nan 8.370 nan 0.000 0.537 122 L N 1.708 123.015 121.223 0.140 0.000 2.693 122 L HA 0.223 4.563 4.340 -0.000 0.000 0.235 122 L C 0.737 177.596 176.870 -0.017 0.000 1.127 122 L CA -0.205 54.707 54.840 0.121 0.000 0.914 122 L CB 0.409 42.508 42.059 0.067 0.000 1.193 122 L HN 0.260 nan 8.230 nan 0.000 0.502 123 D N 1.294 121.706 120.400 0.020 0.000 2.357 123 D HA -0.067 4.573 4.640 -0.000 0.000 0.265 123 D C 1.230 177.479 176.300 -0.085 0.000 1.334 123 D CA 0.110 54.072 54.000 -0.064 0.000 0.984 123 D CB 0.626 41.404 40.800 -0.036 0.000 1.077 123 D HN 0.429 nan 8.370 nan 0.000 0.514 124 H N 1.351 120.245 119.070 -0.294 0.000 2.556 124 H HA 0.147 4.703 4.556 -0.000 0.000 0.268 124 H C 0.849 176.174 175.328 -0.006 0.000 0.996 124 H CA 0.216 56.077 56.048 -0.312 0.000 1.157 124 H CB 0.134 29.452 29.762 -0.739 0.000 1.355 124 H HN 0.172 nan 8.280 nan 0.000 0.597 125 N N 0.872 119.326 118.700 -0.410 0.000 2.463 125 N HA -0.057 4.683 4.740 -0.000 0.000 0.181 125 N C 1.026 176.499 175.510 -0.061 0.000 1.078 125 N CA 0.352 53.262 53.050 -0.233 0.000 0.902 125 N CB 0.205 38.523 38.487 -0.280 0.000 0.970 125 N HN 0.421 nan 8.380 nan 0.000 0.451 126 K N 0.640 121.035 120.400 -0.007 0.000 2.228 126 K HA 0.025 4.345 4.320 -0.000 0.000 0.202 126 K C 0.653 177.295 176.600 0.071 0.000 1.051 126 K CA -0.185 56.123 56.287 0.035 0.000 0.960 126 K CB -0.312 32.220 32.500 0.053 0.000 0.743 126 K HN 0.076 nan 8.250 nan 0.000 0.458 127 L N 2.543 123.846 121.223 0.134 0.000 2.660 127 L HA -0.065 4.275 4.340 -0.000 0.000 0.272 127 L C -0.411 176.495 176.870 0.061 0.000 1.194 127 L CA 0.356 55.276 54.840 0.133 0.000 0.945 127 L CB 0.242 42.444 42.059 0.238 0.000 1.212 127 L HN -0.222 nan 8.230 nan 0.000 0.490 128 V N 7.664 127.595 119.914 0.029 0.000 2.427 128 V HA 0.575 4.695 4.120 -0.000 0.000 0.268 128 V C 1.087 177.157 176.094 -0.039 0.000 1.046 128 V CA 0.625 62.924 62.300 -0.002 0.000 0.970 128 V CB -0.145 31.677 31.823 -0.001 0.000 1.001 128 V HN 1.166 nan 8.190 nan 0.000 0.476 129 G N 4.525 113.287 108.800 -0.063 0.000 2.539 129 G HA2 0.214 4.174 3.960 -0.000 0.000 0.256 129 G HA3 0.214 4.174 3.960 -0.000 0.000 0.256 129 G C 0.817 175.608 174.900 -0.182 0.000 1.233 129 G CA -0.099 44.917 45.100 -0.141 0.000 0.936 129 G HN 2.250 nan 8.290 nan 0.000 0.571 130 G N -3.217 105.342 108.800 -0.401 0.000 2.130 130 G HA2 0.192 4.152 3.960 -0.000 0.000 0.216 130 G HA3 0.192 4.152 3.960 -0.000 0.000 0.216 130 G C 0.075 174.762 174.900 -0.355 0.000 0.999 130 G CA 0.806 45.666 45.100 -0.401 0.000 0.686 130 G HN 1.986 nan 8.290 nan 0.000 0.515 131 V N 0.998 120.638 119.914 -0.457 0.000 2.380 131 V HA 0.559 4.679 4.120 -0.000 0.000 0.272 131 V C 0.082 176.035 176.094 -0.234 0.000 1.011 131 V CA -0.972 61.203 62.300 -0.209 0.000 0.826 131 V CB 0.390 32.165 31.823 -0.079 0.000 1.040 131 V HN 0.264 nan 8.190 nan 0.000 0.441 132 F N 1.075 121.056 119.950 0.052 0.000 2.380 132 F HA 0.385 4.912 4.527 -0.000 0.000 0.325 132 F C 1.075 176.927 175.800 0.086 0.000 1.136 132 F CA -0.431 57.605 58.000 0.059 0.000 1.171 132 F CB 0.732 39.770 39.000 0.063 0.000 1.230 132 F HN 0.367 nan 8.300 nan 0.000 0.554 133 E N 1.074 121.476 120.200 0.336 0.000 2.324 133 E HA -0.053 4.297 4.350 -0.000 0.000 0.271 133 E C 0.122 176.888 176.600 0.278 0.000 1.028 133 E CA -0.261 56.309 56.400 0.283 0.000 0.890 133 E CB 0.615 30.530 29.700 0.358 0.000 1.004 133 E HN 0.549 nan 8.360 nan 0.000 0.431 134 D N 3.369 123.876 120.400 0.178 0.000 2.182 134 D HA -0.204 4.436 4.640 -0.000 0.000 0.201 134 D C 1.586 177.939 176.300 0.089 0.000 0.986 134 D CA 1.085 55.162 54.000 0.128 0.000 0.847 134 D CB 0.110 40.962 40.800 0.087 0.000 0.942 134 D HN 0.443 nan 8.370 nan 0.000 0.467 135 K N -0.649 119.780 120.400 0.050 0.000 2.152 135 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 135 K C 1.375 177.851 176.600 -0.206 0.000 1.048 135 K CA 1.210 57.423 56.287 -0.123 0.000 0.933 135 K CB -0.004 32.340 32.500 -0.260 0.000 0.721 135 K HN 0.257 nan 8.250 nan 0.000 0.447 136 Y N -0.284 120.054 120.300 0.064 0.000 2.382 136 Y HA 0.137 4.687 4.550 -0.000 0.000 0.292 136 Y C 0.722 176.638 175.900 0.026 0.000 1.151 136 Y CA -0.302 57.827 58.100 0.048 0.000 1.198 136 Y CB 0.465 38.955 38.460 0.050 0.000 1.195 136 Y HN -0.291 nan 8.280 nan 0.000 0.530 137 V N 2.902 122.937 119.914 0.201 0.000 2.383 137 V HA 0.153 4.273 4.120 -0.000 0.000 0.275 137 V C 0.414 176.566 176.094 0.097 0.000 1.036 137 V CA -0.597 61.755 62.300 0.087 0.000 0.889 137 V CB 1.396 33.221 31.823 0.004 0.000 0.985 137 V HN 0.237 nan 8.190 nan 0.000 0.459 138 K N 2.550 123.002 120.400 0.088 0.000 2.361 138 K HA 0.248 4.568 4.320 -0.000 0.000 0.194 138 K C 0.408 177.042 176.600 0.057 0.000 1.032 138 K CA 0.406 56.743 56.287 0.083 0.000 1.048 138 K CB 0.697 33.256 32.500 0.098 0.000 0.842 138 K HN 0.830 nan 8.250 nan 0.000 0.526 139 S N -1.043 114.670 115.700 0.021 0.000 2.680 139 S HA 0.296 4.766 4.470 -0.000 0.000 0.284 139 S C -0.997 173.559 174.600 -0.074 0.000 1.055 139 S CA -1.173 57.008 58.200 -0.031 0.000 0.849 139 S CB 0.559 63.702 63.200 -0.096 0.000 1.068 139 S HN 0.065 nan 8.310 nan 0.000 0.453 140 C N 1.854 121.136 119.300 -0.029 0.000 2.456 140 C HA 0.944 5.404 4.460 -0.000 0.000 0.325 140 C C -0.029 174.940 174.990 -0.036 0.000 1.217 140 C CA -0.534 58.470 59.018 -0.023 0.000 1.687 140 C CB 1.384 29.160 27.740 0.059 0.000 2.270 140 C HN 0.987 nan 8.230 nan 0.000 0.499 141 R N 2.635 123.093 120.500 -0.069 0.000 2.522 141 R HA 0.701 5.041 4.340 -0.000 0.000 0.283 141 R C -2.123 174.111 176.300 -0.109 0.000 1.074 141 R CA -0.394 55.666 56.100 -0.066 0.000 0.925 141 R CB 0.973 31.210 30.300 -0.104 0.000 1.205 141 R HN 0.853 nan 8.270 nan 0.000 0.436 142 I N 5.325 125.816 120.570 -0.131 0.000 2.439 142 I HA 0.444 4.614 4.170 -0.000 0.000 0.285 142 I C -0.071 175.790 176.117 -0.427 0.000 1.021 142 I CA -0.808 60.284 61.300 -0.346 0.000 1.091 142 I CB 1.588 39.283 38.000 -0.508 0.000 1.242 142 I HN 0.493 nan 8.210 nan 0.000 0.439 143 R N 6.342 126.632 120.500 -0.351 0.000 2.919 143 R HA 0.890 5.230 4.340 -0.000 0.000 0.260 143 R C -1.366 174.927 176.300 -0.012 0.000 1.067 143 R CA -0.362 55.676 56.100 -0.103 0.000 1.003 143 R CB 2.165 32.371 30.300 -0.157 0.000 1.192 143 R HN 0.812 nan 8.270 nan 0.000 0.488 144 C N -0.644 118.779 119.300 0.204 0.000 3.239 144 C HA 0.885 5.345 4.460 -0.000 0.000 0.317 144 C C -0.179 174.832 174.990 0.035 0.000 1.310 144 C CA -0.301 58.800 59.018 0.139 0.000 1.371 144 C CB 1.348 29.267 27.740 0.299 0.000 1.714 144 C HN 0.960 nan 8.230 nan 0.000 0.473 145 G N 2.065 110.860 108.800 -0.008 0.000 2.400 145 G HA2 0.794 4.754 3.960 -0.000 0.000 0.333 145 G HA3 0.794 4.754 3.960 -0.000 0.000 0.333 145 G C -1.150 173.707 174.900 -0.072 0.000 1.143 145 G CA -0.452 44.631 45.100 -0.027 0.000 0.914 145 G HN 0.879 nan 8.290 nan 0.000 0.480 146 R N -0.002 120.465 120.500 -0.056 0.000 2.740 146 R HA 0.649 4.989 4.340 -0.000 0.000 0.273 146 R C -1.021 175.298 176.300 0.031 0.000 0.998 146 R CA -0.777 55.284 56.100 -0.064 0.000 0.900 146 R CB 2.037 32.257 30.300 -0.133 0.000 1.223 146 R HN 0.521 nan 8.270 nan 0.000 0.466 147 S N 0.227 115.979 115.700 0.086 0.000 2.503 147 S HA 0.434 4.904 4.470 -0.000 0.000 0.301 147 S C -0.382 174.369 174.600 0.252 0.000 1.087 147 S CA -0.738 57.590 58.200 0.213 0.000 1.042 147 S CB 2.258 65.516 63.200 0.096 0.000 1.043 147 S HN 0.252 nan 8.310 nan 0.000 0.489 148 V N 3.978 124.112 119.914 0.367 0.000 2.372 148 V HA 0.202 4.322 4.120 -0.000 0.000 0.261 148 V C 0.662 176.781 176.094 0.042 0.000 1.055 148 V CA -0.527 61.787 62.300 0.023 0.000 0.930 148 V CB 0.157 31.819 31.823 -0.269 0.000 1.031 148 V HN 0.823 nan 8.190 nan 0.000 0.479 149 K N 4.107 124.536 120.400 0.048 0.000 2.380 149 K HA 0.333 4.653 4.320 -0.000 0.000 0.267 149 K C 1.119 177.726 176.600 0.011 0.000 0.990 149 K CA 0.784 57.086 56.287 0.025 0.000 0.946 149 K CB 0.358 32.868 32.500 0.018 0.000 0.937 149 K HN 0.946 nan 8.250 nan 0.000 0.491 150 G N 0.620 109.420 108.800 0.000 0.000 2.176 150 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.253 150 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.253 150 G C -0.298 174.622 174.900 0.034 0.000 0.979 150 G CA 0.151 45.263 45.100 0.021 0.000 0.641 150 G HN 0.540 nan 8.290 nan 0.000 0.530 151 V N -0.058 119.877 119.914 0.036 0.000 3.074 151 V HA 0.641 4.761 4.120 -0.000 0.000 0.314 151 V C 0.969 177.134 176.094 0.119 0.000 1.117 151 V CA -0.689 61.646 62.300 0.058 0.000 1.014 151 V CB 1.883 33.699 31.823 -0.013 0.000 1.057 151 V HN 0.388 nan 8.190 nan 0.000 0.438 152 C N 2.171 121.552 119.300 0.136 0.000 2.604 152 C HA 0.483 4.943 4.460 -0.000 0.000 0.396 152 C C 0.496 175.614 174.990 0.213 0.000 1.282 152 C CA -0.619 58.489 59.018 0.150 0.000 2.292 152 C CB -0.332 27.486 27.740 0.130 0.000 2.633 152 C HN 0.617 nan 8.230 nan 0.000 0.620 153 L N 3.550 124.836 121.223 0.107 0.000 2.453 153 L HA 0.219 4.559 4.340 -0.000 0.000 0.261 153 L C -1.299 175.589 176.870 0.030 0.000 1.179 153 L CA -1.126 53.687 54.840 -0.045 0.000 0.813 153 L CB 0.093 42.116 42.059 -0.061 0.000 1.110 153 L HN 0.434 nan 8.230 nan 0.000 0.466 154 P HA -0.152 nan 4.420 nan 0.000 0.217 154 P C -1.495 175.848 177.300 0.072 0.000 1.148 154 P CA 1.344 64.478 63.100 0.056 0.000 0.834 154 P CB -0.784 30.934 31.700 0.030 0.000 0.783 155 P HA -0.112 nan 4.420 nan 0.000 0.218 155 P C 0.887 178.238 177.300 0.085 0.000 1.149 155 P CA 2.025 65.169 63.100 0.073 0.000 0.817 155 P CB -0.286 31.459 31.700 0.076 0.000 0.785 156 A N -1.186 121.691 122.820 0.095 0.000 2.508 156 A HA 0.287 4.607 4.320 -0.000 0.000 0.250 156 A C 1.263 178.905 177.584 0.096 0.000 1.208 156 A CA -0.296 51.800 52.037 0.098 0.000 0.960 156 A CB -0.645 18.423 19.000 0.113 0.000 1.099 156 A HN 0.180 nan 8.150 nan 0.000 0.542 157 M N 0.317 119.979 119.600 0.103 0.000 2.167 157 M HA 0.489 4.969 4.480 -0.000 0.000 0.300 157 M C 0.233 176.582 176.300 0.082 0.000 1.171 157 M CA 0.206 55.567 55.300 0.102 0.000 1.171 157 M CB 0.287 32.965 32.600 0.131 0.000 1.396 157 M HN 0.211 nan 8.290 nan 0.000 0.466 158 S N 0.479 116.220 115.700 0.069 0.000 2.745 158 S HA 0.471 4.941 4.470 -0.000 0.000 0.292 158 S C 0.644 175.272 174.600 0.047 0.000 1.133 158 S CA -1.011 57.222 58.200 0.056 0.000 0.998 158 S CB 1.721 64.949 63.200 0.047 0.000 1.087 158 S HN 0.825 nan 8.310 nan 0.000 0.551 159 R N 0.040 120.564 120.500 0.041 0.000 2.115 159 R HA -0.016 4.324 4.340 -0.000 0.000 0.230 159 R C 2.332 178.644 176.300 0.021 0.000 1.111 159 R CA 1.218 57.337 56.100 0.033 0.000 0.976 159 R CB -0.773 29.546 30.300 0.032 0.000 0.870 159 R HN 0.786 nan 8.270 nan 0.000 0.445 160 A N 1.202 124.034 122.820 0.021 0.000 1.929 160 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 160 A C 1.790 179.376 177.584 0.003 0.000 1.176 160 A CA 1.070 53.114 52.037 0.011 0.000 0.628 160 A CB -0.144 18.864 19.000 0.014 0.000 0.816 160 A HN 0.281 nan 8.150 nan 0.000 0.444 161 E N -0.712 119.494 120.200 0.010 0.000 2.106 161 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 161 E C 2.277 178.861 176.600 -0.026 0.000 0.984 161 E CA 0.905 57.304 56.400 -0.002 0.000 0.806 161 E CB -0.118 29.598 29.700 0.026 0.000 0.750 161 E HN 0.557 nan 8.360 nan 0.000 0.458 162 R N 0.959 121.459 120.500 -0.001 0.000 2.062 162 R HA -0.039 4.301 4.340 -0.000 0.000 0.229 162 R C 2.331 178.613 176.300 -0.029 0.000 1.128 162 R CA 0.988 57.085 56.100 -0.004 0.000 0.960 162 R CB 0.086 30.400 30.300 0.024 0.000 0.855 162 R HN -0.036 nan 8.270 nan 0.000 0.432 163 R N 0.287 120.776 120.500 -0.018 0.000 2.083 163 R HA -0.182 4.158 4.340 -0.000 0.000 0.237 163 R C 2.278 178.550 176.300 -0.046 0.000 1.137 163 R CA 1.669 57.756 56.100 -0.020 0.000 0.951 163 R CB -0.532 29.763 30.300 -0.007 0.000 0.851 163 R HN 0.169 nan 8.270 nan 0.000 0.434 164 L N 0.421 121.612 121.223 -0.054 0.000 2.012 164 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 164 L C 1.942 178.730 176.870 -0.137 0.000 1.073 164 L CA 1.714 56.507 54.840 -0.077 0.000 0.748 164 L CB -0.544 41.478 42.059 -0.062 0.000 0.891 164 L HN -0.044 nan 8.230 nan 0.000 0.431 165 V N -0.064 119.751 119.914 -0.165 0.000 2.490 165 V HA -0.285 3.835 4.120 -0.000 0.000 0.250 165 V C 2.591 178.553 176.094 -0.220 0.000 1.061 165 V CA 1.869 64.022 62.300 -0.245 0.000 1.064 165 V CB -0.654 30.971 31.823 -0.329 0.000 0.670 165 V HN 0.599 nan 8.190 nan 0.000 0.461 166 E N 0.102 120.208 120.200 -0.156 0.000 2.001 166 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 166 E C 2.439 178.903 176.600 -0.227 0.000 1.002 166 E CA 1.330 57.632 56.400 -0.165 0.000 0.819 166 E CB -0.133 29.534 29.700 -0.055 0.000 0.769 166 E HN 0.310 nan 8.360 nan 0.000 0.454 167 K N 0.471 120.780 120.400 -0.153 0.000 2.000 167 K HA -0.199 4.121 4.320 -0.000 0.000 0.218 167 K C 2.215 178.701 176.600 -0.189 0.000 1.053 167 K CA 1.530 57.736 56.287 -0.136 0.000 0.946 167 K CB -0.871 31.580 32.500 -0.081 0.000 0.723 167 K HN 0.111 nan 8.250 nan 0.000 0.446 168 V N 0.895 120.669 119.914 -0.234 0.000 2.233 168 V HA -0.301 3.819 4.120 -0.000 0.000 0.252 168 V C 2.520 178.353 176.094 -0.435 0.000 1.063 168 V CA 2.108 64.164 62.300 -0.408 0.000 1.032 168 V CB -0.362 31.108 31.823 -0.589 0.000 0.645 168 V HN 0.149 nan 8.190 nan 0.000 0.446 169 V N 0.362 120.047 119.914 -0.381 0.000 2.453 169 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 169 V C 2.552 178.446 176.094 -0.333 0.000 1.048 169 V CA 1.995 64.095 62.300 -0.333 0.000 1.049 169 V CB -0.303 31.348 31.823 -0.287 0.000 0.672 169 V HN 0.793 nan 8.190 nan 0.000 0.457 170 S N -0.414 115.056 115.700 -0.384 0.000 2.402 170 S HA -0.192 4.278 4.470 -0.000 0.000 0.229 170 S C 1.596 176.065 174.600 -0.219 0.000 1.021 170 S CA 1.270 59.221 58.200 -0.415 0.000 0.974 170 S CB -0.411 62.411 63.200 -0.630 0.000 0.800 170 S HN 0.552 nan 8.310 nan 0.000 0.484 171 D N 2.757 123.056 120.400 -0.168 0.000 2.084 171 D HA 0.023 4.663 4.640 -0.000 0.000 0.194 171 D C 2.367 178.620 176.300 -0.078 0.000 0.990 171 D CA 1.592 55.541 54.000 -0.085 0.000 0.826 171 D CB -0.871 39.900 40.800 -0.048 0.000 0.971 171 D HN 0.497 nan 8.370 nan 0.000 0.453 172 A N 0.929 123.691 122.820 -0.097 0.000 1.917 172 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 172 A C 2.325 179.827 177.584 -0.137 0.000 1.182 172 A CA 1.139 53.125 52.037 -0.085 0.000 0.633 172 A CB -0.965 17.987 19.000 -0.081 0.000 0.819 172 A HN 0.269 nan 8.150 nan 0.000 0.448 173 L N -0.383 120.700 121.223 -0.233 0.000 2.549 173 L HA -0.079 4.261 4.340 -0.000 0.000 0.229 173 L C 2.470 179.264 176.870 -0.127 0.000 1.158 173 L CA 0.425 55.051 54.840 -0.357 0.000 0.842 173 L CB -0.565 41.043 42.059 -0.753 0.000 0.952 173 L HN 0.509 nan 8.230 nan 0.000 0.452 174 G N -0.263 108.514 108.800 -0.038 0.000 2.484 174 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.218 174 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.218 174 G C 1.423 176.348 174.900 0.041 0.000 1.130 174 G CA 0.578 45.706 45.100 0.046 0.000 0.784 174 G HN 0.484 nan 8.290 nan 0.000 0.543 175 G N -0.053 108.748 108.800 0.000 0.000 3.141 175 G HA2 0.331 4.291 3.960 -0.000 0.000 0.218 175 G HA3 0.331 4.291 3.960 -0.000 0.000 0.218 175 G C 0.522 175.428 174.900 0.010 0.000 1.170 175 G CA -0.516 44.585 45.100 0.001 0.000 0.769 175 G HN 0.328 nan 8.290 nan 0.000 0.546 176 L N 1.091 122.335 121.223 0.035 0.000 2.397 176 L HA 0.355 4.695 4.340 -0.000 0.000 0.271 176 L C 0.135 177.068 176.870 0.105 0.000 1.148 176 L CA 0.033 54.914 54.840 0.070 0.000 0.825 176 L CB 0.974 43.110 42.059 0.129 0.000 1.117 176 L HN -0.000 nan 8.230 nan 0.000 0.456 177 K N 1.713 122.154 120.400 0.069 0.000 2.400 177 K HA 0.636 4.956 4.320 -0.000 0.000 0.246 177 K C 0.289 176.917 176.600 0.046 0.000 0.995 177 K CA -0.039 56.279 56.287 0.052 0.000 0.840 177 K CB 1.942 34.455 32.500 0.020 0.000 1.293 177 K HN 0.728 nan 8.250 nan 0.000 0.445 178 G N 2.148 110.970 108.800 0.036 0.000 2.583 178 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.292 178 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.292 178 G C 0.423 175.347 174.900 0.040 0.000 1.203 178 G CA 0.857 45.972 45.100 0.026 0.000 0.987 178 G HN 0.821 nan 8.290 nan 0.000 0.554 179 D N 0.957 121.373 120.400 0.027 0.000 2.378 179 D HA 0.068 4.708 4.640 -0.000 0.000 0.227 179 D C 2.147 178.494 176.300 0.078 0.000 1.012 179 D CA 0.926 54.950 54.000 0.040 0.000 0.905 179 D CB -0.145 40.668 40.800 0.021 0.000 0.895 179 D HN 0.486 nan 8.370 nan 0.000 0.532 180 L N -0.234 121.043 121.223 0.089 0.000 2.640 180 L HA 0.352 4.692 4.340 -0.000 0.000 0.230 180 L C 1.022 178.140 176.870 0.414 0.000 1.123 180 L CA -0.309 54.646 54.840 0.192 0.000 0.900 180 L CB 0.069 42.133 42.059 0.009 0.000 1.146 180 L HN -0.012 nan 8.230 nan 0.000 0.484 181 A N 0.201 123.179 122.820 0.262 0.000 2.363 181 A HA 0.621 4.941 4.320 -0.000 0.000 0.270 181 A C 0.395 178.051 177.584 0.119 0.000 1.121 181 A CA 0.377 52.582 52.037 0.281 0.000 0.800 181 A CB 0.501 19.587 19.000 0.144 0.000 1.052 181 A HN 0.271 nan 8.150 nan 0.000 0.493 182 G N 0.609 109.425 108.800 0.027 0.000 2.815 182 G HA2 0.585 4.545 3.960 -0.000 0.000 0.305 182 G HA3 0.585 4.545 3.960 -0.000 0.000 0.305 182 G C -1.132 173.375 174.900 -0.656 0.000 1.277 182 G CA -0.511 44.166 45.100 -0.706 0.000 0.795 182 G HN 0.810 nan 8.290 nan 0.000 0.528 183 K N -0.938 118.819 120.400 -1.072 0.000 2.435 183 K HA 0.529 4.849 4.320 -0.000 0.000 0.251 183 K C -1.896 174.128 176.600 -0.960 0.000 0.954 183 K CA -0.822 54.979 56.287 -0.810 0.000 0.820 183 K CB 2.506 34.536 32.500 -0.782 0.000 1.292 183 K HN 0.444 nan 8.250 nan 0.000 0.436 184 Y N 3.246 123.246 120.300 -0.501 0.000 2.383 184 Y HA 0.275 4.825 4.550 -0.000 0.000 0.344 184 Y C -1.571 174.095 175.900 -0.389 0.000 0.986 184 Y CA -0.416 57.546 58.100 -0.230 0.000 1.175 184 Y CB 0.371 38.886 38.460 0.092 0.000 1.152 184 Y HN 0.406 nan 8.280 nan 0.000 0.511 185 Y N 8.262 128.242 120.300 -0.533 0.000 2.491 185 Y HA 0.355 4.905 4.550 -0.000 0.000 0.334 185 Y C -2.074 173.396 175.900 -0.718 0.000 0.969 185 Y CA -2.939 54.867 58.100 -0.491 0.000 1.241 185 Y CB 0.345 38.657 38.460 -0.247 0.000 1.105 185 Y HN 0.535 nan 8.280 nan 0.000 0.503 186 P HA -0.078 nan 4.420 nan 0.000 0.266 186 P C 0.611 177.810 177.300 -0.169 0.000 1.195 186 P CA -0.116 62.762 63.100 -0.370 0.000 0.768 186 P CB 1.642 33.242 31.700 -0.167 0.000 0.838 187 L N 3.608 124.753 121.223 -0.130 0.000 2.156 187 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 187 L C 2.464 179.278 176.870 -0.094 0.000 1.095 187 L CA 2.393 57.161 54.840 -0.120 0.000 0.770 187 L CB -1.393 40.566 42.059 -0.167 0.000 0.914 187 L HN 0.473 nan 8.230 nan 0.000 0.439 188 T N -4.322 110.181 114.554 -0.085 0.000 2.708 188 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 188 T C 1.574 176.252 174.700 -0.037 0.000 1.037 188 T CA 1.651 63.720 62.100 -0.053 0.000 1.146 188 T CB -1.261 67.584 68.868 -0.039 0.000 0.865 188 T HN 0.480 nan 8.240 nan 0.000 0.435 189 T N -1.070 113.460 114.554 -0.040 0.000 3.219 189 T HA 0.386 4.736 4.350 -0.000 0.000 0.249 189 T C 0.373 175.053 174.700 -0.032 0.000 1.099 189 T CA -0.462 61.621 62.100 -0.028 0.000 0.988 189 T CB -0.598 68.258 68.868 -0.020 0.000 0.999 189 T HN 0.475 nan 8.240 nan 0.000 0.550 190 M N 3.647 123.219 119.600 -0.047 0.000 2.264 190 M HA 0.344 4.824 4.480 -0.000 0.000 0.352 190 M C -0.288 175.982 176.300 -0.050 0.000 1.173 190 M CA -0.908 54.356 55.300 -0.060 0.000 1.075 190 M CB 1.049 33.599 32.600 -0.084 0.000 1.621 190 M HN 0.219 nan 8.290 nan 0.000 0.457 191 N N 3.437 122.106 118.700 -0.052 0.000 2.518 191 N HA 0.002 4.742 4.740 -0.000 0.000 0.283 191 N C 0.152 175.637 175.510 -0.042 0.000 1.119 191 N CA -0.007 53.020 53.050 -0.039 0.000 0.983 191 N CB 1.193 39.658 38.487 -0.036 0.000 1.139 191 N HN 0.959 nan 8.380 nan 0.000 0.465 192 E N 2.052 122.235 120.200 -0.029 0.000 2.208 192 E HA -0.259 4.091 4.350 -0.000 0.000 0.202 192 E C 0.886 177.462 176.600 -0.039 0.000 1.014 192 E CA 1.670 58.054 56.400 -0.027 0.000 0.819 192 E CB 0.198 29.888 29.700 -0.015 0.000 0.735 192 E HN 0.668 nan 8.360 nan 0.000 0.469 193 K N 0.076 120.452 120.400 -0.040 0.000 2.062 193 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 193 K C 1.810 178.376 176.600 -0.056 0.000 1.051 193 K CA 1.347 57.607 56.287 -0.044 0.000 0.941 193 K CB 0.100 32.578 32.500 -0.038 0.000 0.719 193 K HN 0.098 nan 8.250 nan 0.000 0.440 194 D N 0.627 120.987 120.400 -0.068 0.000 2.117 194 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 194 D C 1.911 178.155 176.300 -0.094 0.000 0.987 194 D CA 1.062 55.008 54.000 -0.090 0.000 0.829 194 D CB -0.075 40.655 40.800 -0.117 0.000 0.961 194 D HN 0.219 nan 8.370 nan 0.000 0.460 195 Q N 0.540 120.286 119.800 -0.089 0.000 2.061 195 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 195 Q C 1.858 177.801 176.000 -0.095 0.000 0.984 195 Q CA 1.498 57.240 55.803 -0.101 0.000 0.846 195 Q CB 0.132 28.823 28.738 -0.078 0.000 0.902 195 Q HN 0.330 nan 8.270 nan 0.000 0.421 196 E N -0.311 119.845 120.200 -0.074 0.000 2.047 196 E HA -0.234 4.116 4.350 -0.000 0.000 0.191 196 E C 2.090 178.645 176.600 -0.075 0.000 0.987 196 E CA 0.968 57.325 56.400 -0.072 0.000 0.799 196 E CB -0.087 29.578 29.700 -0.058 0.000 0.752 196 E HN 0.239 nan 8.360 nan 0.000 0.449 197 Q N 1.307 121.069 119.800 -0.064 0.000 2.062 197 Q HA -0.189 4.151 4.340 -0.000 0.000 0.209 197 Q C 2.087 178.065 176.000 -0.036 0.000 0.996 197 Q CA 1.625 57.396 55.803 -0.053 0.000 0.859 197 Q CB -0.544 28.167 28.738 -0.046 0.000 0.920 197 Q HN 0.295 nan 8.270 nan 0.000 0.415 198 L N -0.578 120.629 121.223 -0.027 0.000 2.131 198 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 198 L C 2.330 179.207 176.870 0.011 0.000 1.092 198 L CA 0.916 55.783 54.840 0.045 0.000 0.759 198 L CB -0.341 41.709 42.059 -0.015 0.000 0.903 198 L HN 0.277 nan 8.230 nan 0.000 0.435 199 I N -1.007 119.518 120.570 -0.074 0.000 2.233 199 I HA -0.224 3.946 4.170 -0.000 0.000 0.243 199 I C 2.551 178.570 176.117 -0.165 0.000 1.093 199 I CA 1.041 62.280 61.300 -0.101 0.000 1.380 199 I CB -0.335 37.599 38.000 -0.111 0.000 1.067 199 I HN 0.199 nan 8.210 nan 0.000 0.413 200 E N 0.753 120.845 120.200 -0.180 0.000 2.153 200 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 200 E C 1.413 177.730 176.600 -0.472 0.000 0.988 200 E CA 1.169 57.410 56.400 -0.264 0.000 0.811 200 E CB -0.131 29.466 29.700 -0.170 0.000 0.746 200 E HN 0.445 nan 8.360 nan 0.000 0.466 201 D N -0.760 119.411 120.400 -0.382 0.000 2.312 201 D HA -0.100 4.540 4.640 -0.000 0.000 0.211 201 D C 0.198 175.976 176.300 -0.870 0.000 0.964 201 D CA 0.653 54.344 54.000 -0.514 0.000 0.877 201 D CB 0.111 40.803 40.800 -0.181 0.000 0.924 201 D HN 0.283 nan 8.370 nan 0.000 0.515 202 H N -3.010 115.795 119.070 -0.441 0.000 3.278 202 H HA -0.159 4.397 4.556 -0.000 0.000 0.208 202 H C 0.685 175.846 175.328 -0.278 0.000 1.117 202 H CA 0.592 56.434 56.048 -0.342 0.000 1.150 202 H CB -1.896 27.666 29.762 -0.334 0.000 1.146 202 H HN 0.230 nan 8.280 nan 0.000 0.316 203 F N 0.062 120.117 119.950 0.175 0.000 2.437 203 F HA 0.225 4.752 4.527 -0.000 0.000 0.288 203 F C 1.371 177.420 175.800 0.416 0.000 1.085 203 F CA 0.115 58.239 58.000 0.208 0.000 1.430 203 F CB 0.296 39.325 39.000 0.049 0.000 1.120 203 F HN 0.021 nan 8.300 nan 0.000 0.556 204 L N 0.566 122.013 121.223 0.373 0.000 2.344 204 L HA 0.444 4.784 4.340 -0.000 0.000 0.272 204 L C -0.239 176.541 176.870 -0.150 0.000 1.035 204 L CA -1.581 53.301 54.840 0.070 0.000 0.807 204 L CB 0.480 42.403 42.059 -0.227 0.000 1.237 204 L HN 0.066 nan 8.230 nan 0.000 0.442 205 F N 0.328 119.823 119.950 -0.759 0.000 2.545 205 F HA 0.382 4.909 4.527 -0.000 0.000 0.348 205 F C 0.697 176.332 175.800 -0.275 0.000 1.163 205 F CA -0.722 56.792 58.000 -0.810 0.000 1.331 205 F CB -0.302 37.967 39.000 -1.218 0.000 1.138 205 F HN 0.692 nan 8.300 nan 0.000 0.602 206 E N 1.490 121.679 120.200 -0.018 0.000 2.376 206 E HA 0.253 4.603 4.350 -0.000 0.000 0.254 206 E C -0.813 175.776 176.600 -0.018 0.000 1.213 206 E CA -1.019 55.357 56.400 -0.040 0.000 0.945 206 E CB 0.549 30.232 29.700 -0.029 0.000 1.057 206 E HN 0.640 nan 8.360 nan 0.000 0.479 207 K N 0.740 121.101 120.400 -0.066 0.000 2.336 207 K HA 0.064 4.384 4.320 -0.000 0.000 0.262 207 K C -1.734 174.704 176.600 -0.269 0.000 0.992 207 K CA -1.213 55.003 56.287 -0.119 0.000 0.927 207 K CB 0.262 32.699 32.500 -0.106 0.000 0.956 207 K HN 0.478 nan 8.250 nan 0.000 0.495 208 P HA -0.054 nan 4.420 nan 0.000 0.277 208 P C 0.087 177.151 177.300 -0.393 0.000 1.617 208 P CA 0.552 63.198 63.100 -0.756 0.000 0.829 208 P CB -0.656 30.160 31.700 -1.472 0.000 1.774 209 T N -4.131 110.279 114.554 -0.239 0.000 3.163 209 T HA 0.210 4.560 4.350 -0.000 0.000 0.252 209 T C 0.994 175.639 174.700 -0.092 0.000 1.056 209 T CA -0.347 61.667 62.100 -0.142 0.000 0.947 209 T CB -0.437 68.374 68.868 -0.095 0.000 1.016 209 T HN 0.103 nan 8.240 nan 0.000 0.554 210 G N 0.296 109.033 108.800 -0.104 0.000 2.398 210 G HA2 0.469 4.429 3.960 -0.000 0.000 0.246 210 G HA3 0.469 4.429 3.960 -0.000 0.000 0.246 210 G C 1.106 175.987 174.900 -0.032 0.000 1.289 210 G CA -0.209 44.861 45.100 -0.051 0.000 0.869 210 G HN 0.425 nan 8.290 nan 0.000 0.543 211 A N 2.764 125.587 122.820 0.005 0.000 1.902 211 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 211 A C 2.266 179.851 177.584 0.003 0.000 1.181 211 A CA 1.729 53.770 52.037 0.007 0.000 0.623 211 A CB -0.383 18.635 19.000 0.031 0.000 0.818 211 A HN 0.839 nan 8.150 nan 0.000 0.443 212 L N -0.846 120.383 121.223 0.010 0.000 2.023 212 L HA -0.031 4.309 4.340 -0.000 0.000 0.205 212 L C 2.232 179.101 176.870 -0.001 0.000 1.073 212 L CA 2.004 56.850 54.840 0.009 0.000 0.745 212 L CB -0.696 41.372 42.059 0.015 0.000 0.900 212 L HN 0.300 nan 8.230 nan 0.000 0.435 213 L N -0.435 120.780 121.223 -0.014 0.000 2.043 213 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 213 L C 2.564 179.416 176.870 -0.031 0.000 1.075 213 L CA 2.565 57.390 54.840 -0.025 0.000 0.752 213 L CB -0.836 41.185 42.059 -0.064 0.000 0.891 213 L HN 0.700 nan 8.230 nan 0.000 0.432 214 T N -5.182 109.345 114.554 -0.045 0.000 2.852 214 T HA -0.119 4.231 4.350 -0.000 0.000 0.256 214 T C 1.674 176.367 174.700 -0.013 0.000 1.038 214 T CA 1.141 63.216 62.100 -0.041 0.000 1.141 214 T CB -1.129 67.702 68.868 -0.061 0.000 0.869 214 T HN 0.477 nan 8.240 nan 0.000 0.439 215 T N 0.431 114.980 114.554 -0.008 0.000 3.160 215 T HA 0.136 4.486 4.350 -0.000 0.000 0.257 215 T C 1.883 176.589 174.700 0.010 0.000 1.147 215 T CA 0.726 62.827 62.100 0.001 0.000 1.064 215 T CB -0.439 68.428 68.868 -0.000 0.000 0.949 215 T HN 0.582 nan 8.240 nan 0.000 0.526 216 S N -0.371 115.338 115.700 0.015 0.000 2.526 216 S HA 0.523 4.993 4.470 -0.000 0.000 0.220 216 S C 1.769 176.392 174.600 0.039 0.000 1.017 216 S CA 0.309 58.525 58.200 0.027 0.000 0.930 216 S CB -0.055 63.161 63.200 0.026 0.000 0.856 216 S HN 1.101 nan 8.310 nan 0.000 0.497 217 G N 0.256 109.078 108.800 0.037 0.000 2.159 217 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.227 217 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.227 217 G C 0.596 175.537 174.900 0.069 0.000 0.986 217 G CA -0.031 45.100 45.100 0.052 0.000 0.651 217 G HN 0.604 nan 8.290 nan 0.000 0.523 218 C N 0.801 120.140 119.300 0.066 0.000 2.626 218 C HA 0.621 5.081 4.460 -0.000 0.000 0.266 218 C C 2.311 177.396 174.990 0.157 0.000 1.317 218 C CA 0.862 59.937 59.018 0.095 0.000 1.716 218 C CB -0.691 27.090 27.740 0.068 0.000 1.819 218 C HN 1.018 nan 8.230 nan 0.000 0.578 219 A N 0.147 123.038 122.820 0.119 0.000 2.574 219 A HA 0.310 4.630 4.320 -0.000 0.000 0.283 219 A C 0.516 178.226 177.584 0.210 0.000 1.270 219 A CA -0.270 51.858 52.037 0.151 0.000 0.945 219 A CB -0.150 18.798 19.000 -0.086 0.000 1.127 219 A HN 0.584 nan 8.150 nan 0.000 0.522 220 R N 1.045 121.661 120.500 0.193 0.000 2.441 220 R HA 0.287 4.627 4.340 -0.000 0.000 0.284 220 R C -0.335 176.080 176.300 0.191 0.000 1.070 220 R CA -0.015 56.181 56.100 0.159 0.000 1.047 220 R CB 0.300 30.668 30.300 0.112 0.000 1.016 220 R HN 0.396 nan 8.270 nan 0.000 0.477 221 D N 0.191 120.689 120.400 0.164 0.000 3.079 221 D HA -0.247 4.393 4.640 -0.000 0.000 0.214 221 D C -0.449 175.954 176.300 0.172 0.000 1.145 221 D CA 0.800 54.882 54.000 0.135 0.000 0.958 221 D CB -0.836 40.017 40.800 0.087 0.000 1.117 221 D HN 0.590 nan 8.370 nan 0.000 0.416 222 W N 2.147 123.468 121.300 0.036 0.000 2.343 222 W HA 0.065 4.725 4.660 -0.000 0.000 0.337 222 W C -1.520 175.022 176.519 0.038 0.000 1.320 222 W CA -0.128 57.243 57.345 0.043 0.000 1.290 222 W CB 0.287 29.771 29.460 0.041 0.000 1.206 222 W HN -0.006 nan 8.180 nan 0.000 0.565 223 P HA -0.004 nan 4.420 nan 0.000 0.258 223 P C -0.156 176.943 177.300 -0.334 0.000 1.416 223 P CA 0.067 62.795 63.100 -0.619 0.000 0.927 223 P CB -0.110 31.322 31.700 -0.446 0.000 1.444 224 D N 1.626 121.945 120.400 -0.135 0.000 2.662 224 D HA -0.012 4.628 4.640 -0.000 0.000 0.233 224 D C 1.408 177.658 176.300 -0.084 0.000 1.129 224 D CA 2.057 56.016 54.000 -0.068 0.000 0.851 224 D CB 0.037 40.833 40.800 -0.008 0.000 1.152 224 D HN 0.340 nan 8.370 nan 0.000 0.507 225 G N 3.469 112.240 108.800 -0.049 0.000 2.155 225 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.257 225 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.257 225 G C 0.420 175.313 174.900 -0.012 0.000 0.983 225 G CA 0.461 45.553 45.100 -0.013 0.000 0.676 225 G HN 0.576 nan 8.290 nan 0.000 0.528 226 R N -0.279 120.168 120.500 -0.088 0.000 2.604 226 R HA 0.787 5.127 4.340 -0.000 0.000 0.287 226 R C 0.678 177.012 176.300 0.057 0.000 0.970 226 R CA 0.659 56.711 56.100 -0.080 0.000 0.946 226 R CB 1.910 31.972 30.300 -0.397 0.000 1.127 226 R HN 0.901 nan 8.270 nan 0.000 0.473 227 G N 0.549 109.495 108.800 0.244 0.000 2.430 227 G HA2 0.435 4.395 3.960 -0.000 0.000 0.300 227 G HA3 0.435 4.395 3.960 -0.000 0.000 0.300 227 G C -1.849 173.323 174.900 0.453 0.000 1.330 227 G CA -0.601 44.633 45.100 0.225 0.000 0.813 227 G HN 0.531 nan 8.290 nan 0.000 0.487 228 I N -0.635 120.141 120.570 0.344 0.000 2.619 228 I HA 0.755 4.925 4.170 -0.000 0.000 0.292 228 I C -1.821 174.635 176.117 0.565 0.000 1.100 228 I CA -1.261 60.358 61.300 0.532 0.000 1.043 228 I CB 2.158 40.419 38.000 0.435 0.000 1.239 228 I HN 0.759 nan 8.210 nan 0.000 0.420 229 W N 7.977 129.520 121.300 0.404 0.000 2.632 229 W HA 0.641 5.301 4.660 -0.000 0.000 0.328 229 W C -1.400 175.247 176.519 0.213 0.000 1.044 229 W CA -0.124 57.368 57.345 0.245 0.000 1.225 229 W CB 0.978 30.557 29.460 0.199 0.000 1.396 229 W HN 0.665 nan 8.180 nan 0.000 0.499 230 H N 2.167 120.949 119.070 -0.481 0.000 3.037 230 H HA 0.467 5.023 4.556 -0.000 0.000 0.355 230 H C -0.497 174.348 175.328 -0.805 0.000 1.263 230 H CA -1.247 54.534 56.048 -0.445 0.000 1.129 230 H CB 0.685 30.378 29.762 -0.115 0.000 1.861 230 H HN 0.446 nan 8.280 nan 0.000 0.546 231 N N 1.049 119.585 118.700 -0.273 0.000 2.327 231 N HA 0.025 4.765 4.740 -0.000 0.000 0.257 231 N C 0.194 175.700 175.510 -0.006 0.000 1.281 231 N CA -0.345 52.613 53.050 -0.153 0.000 0.942 231 N CB 0.255 38.822 38.487 0.134 0.000 1.199 231 N HN 0.728 nan 8.380 nan 0.000 0.532 232 N N 0.404 119.097 118.700 -0.012 0.000 2.025 232 N HA -0.163 4.577 4.740 -0.000 0.000 0.194 232 N C 1.152 176.671 175.510 0.015 0.000 1.044 232 N CA 1.523 54.580 53.050 0.012 0.000 0.851 232 N CB -0.382 38.106 38.487 0.003 0.000 1.036 232 N HN 0.658 nan 8.380 nan 0.000 0.422 233 E N 0.719 120.932 120.200 0.022 0.000 2.171 233 E HA -0.135 4.215 4.350 -0.000 0.000 0.197 233 E C 0.223 176.794 176.600 -0.048 0.000 0.997 233 E CA 0.697 57.103 56.400 0.011 0.000 0.810 233 E CB -0.041 29.687 29.700 0.047 0.000 0.738 233 E HN 0.278 nan 8.360 nan 0.000 0.467 234 K N -0.292 120.074 120.400 -0.057 0.000 3.230 234 K HA -0.177 4.143 4.320 -0.000 0.000 0.285 234 K C 0.110 176.646 176.600 -0.106 0.000 1.196 234 K CA 0.673 56.818 56.287 -0.237 0.000 0.838 234 K CB -1.217 30.852 32.500 -0.718 0.000 1.262 234 K HN 0.295 nan 8.250 nan 0.000 0.492 235 N N 0.019 118.769 118.700 0.083 0.000 2.299 235 N HA 0.051 4.791 4.740 -0.000 0.000 0.187 235 N C -0.133 175.559 175.510 0.304 0.000 1.099 235 N CA 0.115 53.275 53.050 0.183 0.000 0.867 235 N CB 0.295 38.880 38.487 0.164 0.000 0.974 235 N HN 0.176 nan 8.380 nan 0.000 0.477 236 F N 0.733 120.764 119.950 0.133 0.000 2.547 236 F HA 0.664 5.191 4.527 -0.000 0.000 0.316 236 F C -1.804 174.176 175.800 0.299 0.000 1.121 236 F CA -1.408 56.714 58.000 0.203 0.000 0.911 236 F CB 1.130 40.255 39.000 0.208 0.000 1.179 236 F HN -0.164 nan 8.300 nan 0.000 0.443 237 L N 5.580 126.567 121.223 -0.393 0.000 2.540 237 L HA 0.766 5.106 4.340 -0.000 0.000 0.256 237 L C -1.339 175.423 176.870 -0.180 0.000 1.001 237 L CA -0.923 53.879 54.840 -0.063 0.000 0.843 237 L CB 2.009 44.135 42.059 0.112 0.000 1.436 237 L HN 0.334 nan 8.230 nan 0.000 0.410 238 V N -0.162 119.842 119.914 0.150 0.000 2.638 238 V HA 0.511 4.631 4.120 -0.000 0.000 0.306 238 V C -1.342 174.997 176.094 0.408 0.000 1.052 238 V CA -0.471 61.885 62.300 0.094 0.000 0.885 238 V CB 2.180 33.977 31.823 -0.042 0.000 0.999 238 V HN 0.582 nan 8.190 nan 0.000 0.424 239 W N 4.675 126.091 121.300 0.193 0.000 2.390 239 W HA 0.677 5.337 4.660 -0.000 0.000 0.312 239 W C -0.243 176.352 176.519 0.127 0.000 1.123 239 W CA -1.406 56.092 57.345 0.254 0.000 1.202 239 W CB 0.972 30.554 29.460 0.203 0.000 1.251 239 W HN 0.329 nan 8.180 nan 0.000 0.511 240 I N 4.724 125.520 120.570 0.376 0.000 2.377 240 I HA 0.143 4.313 4.170 -0.000 0.000 0.293 240 I C 0.226 176.384 176.117 0.068 0.000 0.987 240 I CA -0.677 60.735 61.300 0.187 0.000 1.185 240 I CB 0.963 39.063 38.000 0.168 0.000 1.341 240 I HN 0.373 nan 8.210 nan 0.000 0.455 241 N N 3.975 122.703 118.700 0.048 0.000 2.725 241 N HA -0.199 4.541 4.740 -0.000 0.000 0.251 241 N C 0.329 175.772 175.510 -0.111 0.000 1.031 241 N CA 0.837 53.896 53.050 0.015 0.000 0.720 241 N CB -0.688 37.812 38.487 0.022 0.000 0.930 241 N HN 0.738 nan 8.380 nan 0.000 0.543 242 E N 0.785 120.863 120.200 -0.204 0.000 3.257 242 E HA 0.036 4.386 4.350 -0.000 0.000 0.402 242 E C 1.259 177.840 176.600 -0.033 0.000 0.383 242 E CA -0.052 56.191 56.400 -0.261 0.000 2.262 242 E CB 0.163 29.469 29.700 -0.657 0.000 2.162 242 E HN 0.412 nan 8.360 nan 0.000 0.484 243 E N -0.118 120.064 120.200 -0.029 0.000 2.216 243 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 243 E C -0.240 176.349 176.600 -0.019 0.000 0.988 243 E CA 0.694 57.097 56.400 0.005 0.000 0.834 243 E CB 0.296 30.008 29.700 0.020 0.000 0.772 243 E HN 0.141 nan 8.360 nan 0.000 0.479 244 D N -2.005 118.384 120.400 -0.019 0.000 2.553 244 D HA 0.185 4.825 4.640 -0.000 0.000 0.249 244 D C 0.404 176.689 176.300 -0.025 0.000 1.062 244 D CA -0.556 53.401 54.000 -0.072 0.000 1.085 244 D CB 0.735 41.518 40.800 -0.027 0.000 1.350 244 D HN 0.114 nan 8.370 nan 0.000 0.575 245 H N -0.604 118.473 119.070 0.012 0.000 2.333 245 H HA 0.167 4.723 4.556 -0.000 0.000 0.302 245 H C 0.267 175.593 175.328 -0.002 0.000 1.075 245 H CA 0.749 56.793 56.048 -0.007 0.000 1.348 245 H CB 0.465 30.214 29.762 -0.021 0.000 1.393 245 H HN 0.117 nan 8.280 nan 0.000 0.509 246 I N 0.223 120.866 120.570 0.121 0.000 2.769 246 I HA 0.345 4.515 4.170 -0.000 0.000 0.298 246 I C -0.708 175.437 176.117 0.048 0.000 1.128 246 I CA -0.896 60.444 61.300 0.066 0.000 1.031 246 I CB 2.473 40.475 38.000 0.003 0.000 1.235 246 I HN -0.006 nan 8.210 nan 0.000 0.423 247 R N 4.396 124.922 120.500 0.043 0.000 2.500 247 R HA 0.442 4.782 4.340 -0.000 0.000 0.299 247 R C -1.550 174.677 176.300 -0.121 0.000 1.038 247 R CA -0.719 55.352 56.100 -0.048 0.000 0.903 247 R CB 2.048 32.288 30.300 -0.099 0.000 1.177 247 R HN 0.327 nan 8.270 nan 0.000 0.455 248 V N 6.016 125.894 119.914 -0.061 0.000 2.353 248 V HA 0.394 4.514 4.120 -0.000 0.000 0.264 248 V C 0.476 176.639 176.094 0.115 0.000 1.049 248 V CA -0.351 61.925 62.300 -0.040 0.000 0.896 248 V CB 0.657 32.467 31.823 -0.021 0.000 1.025 248 V HN 0.488 nan 8.190 nan 0.000 0.475 249 I N 3.869 124.410 120.570 -0.048 0.000 2.441 249 I HA 0.603 4.773 4.170 -0.000 0.000 0.295 249 I C 0.119 176.373 176.117 0.228 0.000 0.994 249 I CA -0.239 61.087 61.300 0.044 0.000 1.144 249 I CB 2.076 39.977 38.000 -0.164 0.000 1.314 249 I HN 0.539 nan 8.210 nan 0.000 0.445 250 S N 8.087 123.989 115.700 0.335 0.000 2.647 250 S HA 0.867 5.337 4.470 -0.000 0.000 0.300 250 S C -0.732 173.990 174.600 0.204 0.000 1.129 250 S CA -0.668 57.755 58.200 0.370 0.000 1.029 250 S CB 0.762 64.251 63.200 0.481 0.000 1.007 250 S HN 0.657 nan 8.310 nan 0.000 0.484 251 M N 3.168 122.885 119.600 0.196 0.000 2.569 251 M HA 0.664 5.144 4.480 -0.000 0.000 0.279 251 M C -1.545 174.851 176.300 0.160 0.000 1.253 251 M CA -0.827 54.556 55.300 0.139 0.000 0.867 251 M CB 2.041 34.712 32.600 0.120 0.000 1.727 251 M HN 0.716 nan 8.290 nan 0.000 0.467 252 Q N 0.206 120.075 119.800 0.115 0.000 2.687 252 Q HA 0.592 4.932 4.340 -0.000 0.000 0.295 252 Q C -1.976 174.072 176.000 0.080 0.000 0.920 252 Q CA -1.272 54.603 55.803 0.121 0.000 0.766 252 Q CB 2.352 31.158 28.738 0.113 0.000 1.467 252 Q HN 0.780 nan 8.270 nan 0.000 0.415 253 K N 0.092 120.544 120.400 0.087 0.000 2.118 253 K HA 0.703 5.023 4.320 -0.000 0.000 0.264 253 K C 0.114 176.758 176.600 0.074 0.000 1.000 253 K CA 0.858 57.186 56.287 0.068 0.000 0.929 253 K CB 1.203 33.749 32.500 0.077 0.000 1.021 253 K HN 0.922 nan 8.250 nan 0.000 0.463 254 G N 0.120 108.964 108.800 0.074 0.000 2.582 254 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.222 254 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.222 254 G C 0.080 175.051 174.900 0.118 0.000 1.311 254 G CA -0.523 44.633 45.100 0.093 0.000 0.915 254 G HN 0.749 nan 8.290 nan 0.000 0.528 255 G N -0.851 108.044 108.800 0.159 0.000 4.222 255 G HA2 0.452 4.412 3.960 -0.000 0.000 0.301 255 G HA3 0.452 4.412 3.960 -0.000 0.000 0.301 255 G C -0.045 175.011 174.900 0.260 0.000 1.171 255 G CA 0.896 46.150 45.100 0.256 0.000 0.937 255 G HN 0.622 nan 8.290 nan 0.000 0.557 256 D N 1.147 121.651 120.400 0.173 0.000 2.943 256 D HA 0.145 4.785 4.640 -0.000 0.000 0.249 256 D C 1.742 178.134 176.300 0.152 0.000 1.231 256 D CA -0.480 53.601 54.000 0.136 0.000 0.979 256 D CB 0.140 41.000 40.800 0.100 0.000 1.053 256 D HN 0.130 nan 8.370 nan 0.000 0.504 257 L N 1.293 122.641 121.223 0.208 0.000 2.081 257 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 257 L C 2.212 179.190 176.870 0.180 0.000 1.080 257 L CA 1.374 56.331 54.840 0.196 0.000 0.754 257 L CB 0.027 42.261 42.059 0.291 0.000 0.893 257 L HN 0.223 nan 8.230 nan 0.000 0.433 258 K N -0.364 120.133 120.400 0.162 0.000 2.032 258 K HA -0.216 4.104 4.320 -0.000 0.000 0.209 258 K C 1.963 178.682 176.600 0.197 0.000 1.048 258 K CA 1.616 58.031 56.287 0.214 0.000 0.927 258 K CB -0.161 32.427 32.500 0.146 0.000 0.712 258 K HN 0.403 nan 8.250 nan 0.000 0.441 259 A N 0.258 123.154 122.820 0.127 0.000 1.969 259 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 259 A C 2.181 179.805 177.584 0.067 0.000 1.169 259 A CA 1.320 53.401 52.037 0.073 0.000 0.635 259 A CB -0.400 18.641 19.000 0.068 0.000 0.810 259 A HN 0.180 nan 8.150 nan 0.000 0.445 260 V N -1.094 118.893 119.914 0.121 0.000 2.427 260 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 260 V C 2.246 178.468 176.094 0.215 0.000 1.051 260 V CA 1.922 64.309 62.300 0.145 0.000 1.048 260 V CB -0.872 31.028 31.823 0.128 0.000 0.666 260 V HN 0.635 nan 8.190 nan 0.000 0.456 261 F N 1.000 120.965 119.950 0.027 0.000 2.186 261 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 261 F C 2.652 178.428 175.800 -0.041 0.000 1.090 261 F CA 1.459 59.486 58.000 0.045 0.000 1.307 261 F CB -0.765 38.281 39.000 0.076 0.000 1.019 261 F HN 0.167 nan 8.300 nan 0.000 0.489 262 S N 0.409 115.899 115.700 -0.349 0.000 2.343 262 S HA -0.244 4.226 4.470 -0.000 0.000 0.219 262 S C 2.475 176.819 174.600 -0.427 0.000 1.033 262 S CA 1.508 59.122 58.200 -0.977 0.000 1.014 262 S CB -0.568 62.072 63.200 -0.934 0.000 0.915 262 S HN 0.517 nan 8.310 nan 0.000 0.435 263 R N -0.736 119.655 120.500 -0.181 0.000 2.096 263 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 263 R C 2.231 178.477 176.300 -0.092 0.000 1.127 263 R CA 1.806 57.833 56.100 -0.123 0.000 0.968 263 R CB -0.664 29.621 30.300 -0.025 0.000 0.861 263 R HN 0.585 nan 8.270 nan 0.000 0.440 264 F N 1.094 121.012 119.950 -0.053 0.000 2.234 264 F HA -0.048 4.479 4.527 -0.000 0.000 0.299 264 F C 2.031 177.825 175.800 -0.010 0.000 1.087 264 F CA 1.222 59.255 58.000 0.054 0.000 1.340 264 F CB -0.214 38.884 39.000 0.164 0.000 1.031 264 F HN 0.114 nan 8.300 nan 0.000 0.500 265 A N 1.088 123.888 122.820 -0.033 0.000 1.841 265 A HA -0.145 4.175 4.320 -0.000 0.000 0.214 265 A C 2.372 179.821 177.584 -0.226 0.000 1.195 265 A CA 1.537 53.480 52.037 -0.157 0.000 0.611 265 A CB -0.849 18.045 19.000 -0.176 0.000 0.835 265 A HN 0.393 nan 8.150 nan 0.000 0.443 266 R N -1.004 119.358 120.500 -0.229 0.000 2.122 266 R HA -0.204 4.136 4.340 -0.000 0.000 0.236 266 R C 2.414 178.536 176.300 -0.297 0.000 1.129 266 R CA 1.731 57.693 56.100 -0.231 0.000 0.925 266 R CB -1.021 29.136 30.300 -0.239 0.000 0.850 266 R HN 0.557 nan 8.270 nan 0.000 0.431 267 G N 1.168 109.693 108.800 -0.457 0.000 2.459 267 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 267 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 267 G C 1.356 176.105 174.900 -0.252 0.000 1.183 267 G CA 0.729 45.485 45.100 -0.573 0.000 0.776 267 G HN 0.250 nan 8.290 nan 0.000 0.552 268 L N 0.420 121.446 121.223 -0.328 0.000 2.083 268 L HA 0.107 4.447 4.340 -0.000 0.000 0.209 268 L C 2.701 179.441 176.870 -0.217 0.000 1.083 268 L CA 1.326 55.975 54.840 -0.319 0.000 0.752 268 L CB -0.442 41.257 42.059 -0.600 0.000 0.899 268 L HN 0.227 nan 8.230 nan 0.000 0.433 269 L N -0.682 120.422 121.223 -0.199 0.000 2.012 269 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 269 L C 2.712 179.514 176.870 -0.115 0.000 1.073 269 L CA 1.296 56.057 54.840 -0.131 0.000 0.748 269 L CB -0.706 41.286 42.059 -0.113 0.000 0.891 269 L HN 0.287 nan 8.230 nan 0.000 0.431 270 E N -0.188 119.934 120.200 -0.129 0.000 2.031 270 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 270 E C 2.354 178.894 176.600 -0.100 0.000 0.994 270 E CA 1.292 57.627 56.400 -0.107 0.000 0.800 270 E CB -0.409 29.219 29.700 -0.119 0.000 0.752 270 E HN 0.273 nan 8.360 nan 0.000 0.447 271 V N 1.989 121.839 119.914 -0.107 0.000 2.252 271 V HA -0.268 3.852 4.120 -0.000 0.000 0.249 271 V C 2.299 178.329 176.094 -0.108 0.000 1.056 271 V CA 1.996 64.225 62.300 -0.118 0.000 1.022 271 V CB -0.498 31.254 31.823 -0.118 0.000 0.641 271 V HN 0.276 nan 8.190 nan 0.000 0.445 272 E N -0.214 119.922 120.200 -0.106 0.000 2.085 272 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 272 E C 2.439 179.005 176.600 -0.057 0.000 0.994 272 E CA 1.401 57.752 56.400 -0.082 0.000 0.801 272 E CB -0.270 29.383 29.700 -0.080 0.000 0.743 272 E HN 0.496 nan 8.360 nan 0.000 0.453 273 R N 1.099 121.562 120.500 -0.061 0.000 2.081 273 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 273 R C 2.398 178.670 176.300 -0.046 0.000 1.131 273 R CA 0.916 56.986 56.100 -0.050 0.000 0.960 273 R CB -0.198 30.070 30.300 -0.053 0.000 0.856 273 R HN 0.155 nan 8.270 nan 0.000 0.436 274 L N 0.245 121.435 121.223 -0.055 0.000 2.027 274 L HA -0.185 4.155 4.340 -0.000 0.000 0.206 274 L C 2.735 179.591 176.870 -0.023 0.000 1.074 274 L CA 0.971 55.782 54.840 -0.047 0.000 0.745 274 L CB -0.357 41.662 42.059 -0.067 0.000 0.898 274 L HN 0.253 nan 8.230 nan 0.000 0.433 275 M N -0.049 119.539 119.600 -0.020 0.000 2.080 275 M HA -0.268 4.212 4.480 -0.000 0.000 0.260 275 M C 2.304 178.619 176.300 0.025 0.000 1.068 275 M CA 1.754 57.076 55.300 0.038 0.000 1.109 275 M CB -1.014 31.591 32.600 0.008 0.000 1.342 275 M HN 0.173 nan 8.290 nan 0.000 0.405 276 K N 0.219 120.613 120.400 -0.010 0.000 2.152 276 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 276 K C 1.892 178.462 176.600 -0.050 0.000 1.048 276 K CA 1.556 57.827 56.287 -0.027 0.000 0.933 276 K CB -0.001 32.483 32.500 -0.026 0.000 0.721 276 K HN 0.346 nan 8.250 nan 0.000 0.447 277 E N -0.238 119.934 120.200 -0.046 0.000 2.047 277 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 277 E C 1.695 178.246 176.600 -0.083 0.000 0.987 277 E CA 1.371 57.739 56.400 -0.054 0.000 0.799 277 E CB 0.017 29.692 29.700 -0.042 0.000 0.752 277 E HN 0.407 nan 8.360 nan 0.000 0.449 278 C N -0.035 119.212 119.300 -0.088 0.000 2.466 278 C HA 0.109 4.569 4.460 -0.000 0.000 0.283 278 C C 1.608 176.335 174.990 -0.439 0.000 1.472 278 C CA 0.675 59.584 59.018 -0.181 0.000 1.765 278 C CB -1.112 26.619 27.740 -0.014 0.000 1.724 278 C HN 0.769 nan 8.230 nan 0.000 0.560 279 G N -0.096 108.520 108.800 -0.306 0.000 2.136 279 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.242 279 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.242 279 G C -0.315 174.392 174.900 -0.321 0.000 0.989 279 G CA -0.027 44.903 45.100 -0.284 0.000 0.682 279 G HN 0.729 nan 8.290 nan 0.000 0.522 280 H N 0.027 119.073 119.070 -0.041 0.000 2.489 280 H HA 0.556 5.112 4.556 -0.000 0.000 0.322 280 H C 0.869 176.178 175.328 -0.032 0.000 1.091 280 H CA 0.267 56.289 56.048 -0.043 0.000 1.291 280 H CB 1.640 31.365 29.762 -0.061 0.000 1.436 280 H HN 0.417 nan 8.280 nan 0.000 0.480 281 G N 2.457 111.310 108.800 0.089 0.000 2.389 281 G HA2 0.504 4.464 3.960 -0.000 0.000 0.328 281 G HA3 0.504 4.464 3.960 -0.000 0.000 0.328 281 G C -0.802 174.139 174.900 0.069 0.000 1.133 281 G CA -0.798 44.337 45.100 0.058 0.000 0.891 281 G HN 0.479 nan 8.290 nan 0.000 0.485 282 L N 1.755 123.032 121.223 0.090 0.000 2.309 282 L HA 0.382 4.721 4.340 -0.000 0.000 0.282 282 L C 0.528 177.496 176.870 0.164 0.000 1.036 282 L CA -0.690 54.228 54.840 0.129 0.000 0.806 282 L CB 1.810 43.962 42.059 0.156 0.000 1.220 282 L HN 0.388 nan 8.230 nan 0.000 0.429 283 M N 3.066 122.746 119.600 0.134 0.000 2.252 283 M HA 0.138 4.618 4.480 -0.000 0.000 0.348 283 M C -0.451 175.946 176.300 0.161 0.000 1.334 283 M CA 0.707 56.056 55.300 0.081 0.000 1.071 283 M CB -0.210 32.394 32.600 0.007 0.000 1.763 283 M HN 0.473 nan 8.290 nan 0.000 0.452 284 H N 1.438 120.464 119.070 -0.073 0.000 3.129 284 H HA 0.412 4.968 4.556 -0.000 0.000 0.342 284 H C -1.706 173.509 175.328 -0.188 0.000 1.092 284 H CA -0.723 55.212 56.048 -0.188 0.000 1.310 284 H CB 1.198 30.767 29.762 -0.322 0.000 1.932 284 H HN 0.766 nan 8.280 nan 0.000 0.507 285 N N 1.892 120.143 118.700 -0.748 0.000 2.476 285 N HA 0.166 4.906 4.740 -0.000 0.000 0.276 285 N C 0.319 175.456 175.510 -0.621 0.000 1.204 285 N CA -0.305 52.437 53.050 -0.514 0.000 0.974 285 N CB 1.507 39.757 38.487 -0.394 0.000 1.204 285 N HN 0.721 nan 8.380 nan 0.000 0.543 286 D N -0.647 119.585 120.400 -0.282 0.000 2.240 286 D HA 0.145 4.785 4.640 -0.000 0.000 0.206 286 D C 1.480 177.721 176.300 -0.098 0.000 0.963 286 D CA 0.871 54.773 54.000 -0.163 0.000 0.863 286 D CB 0.340 41.106 40.800 -0.057 0.000 0.973 286 D HN 0.391 nan 8.370 nan 0.000 0.501 287 R N -0.622 119.831 120.500 -0.079 0.000 2.105 287 R HA 0.226 4.566 4.340 -0.000 0.000 0.214 287 R C 1.450 177.749 176.300 -0.002 0.000 1.091 287 R CA 0.375 56.494 56.100 0.032 0.000 1.007 287 R CB 0.209 30.566 30.300 0.095 0.000 0.912 287 R HN 0.155 nan 8.270 nan 0.000 0.450 288 L N 0.535 121.628 121.223 -0.216 0.000 2.628 288 L HA 0.300 4.640 4.340 -0.000 0.000 0.229 288 L C 1.002 177.590 176.870 -0.471 0.000 1.137 288 L CA 0.052 54.636 54.840 -0.427 0.000 0.909 288 L CB 0.313 42.040 42.059 -0.553 0.000 1.137 288 L HN 0.387 nan 8.230 nan 0.000 0.470 289 G N -0.084 108.470 108.800 -0.411 0.000 2.578 289 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.275 289 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.275 289 G C -0.320 174.318 174.900 -0.436 0.000 1.271 289 G CA -0.168 44.681 45.100 -0.419 0.000 0.941 289 G HN 0.124 nan 8.290 nan 0.000 0.564 290 Y N -0.168 120.159 120.300 0.044 0.000 2.550 290 Y HA 0.485 5.035 4.550 -0.000 0.000 0.343 290 Y C 1.419 177.254 175.900 -0.108 0.000 1.245 290 Y CA 0.452 58.586 58.100 0.056 0.000 1.462 290 Y CB 0.380 38.892 38.460 0.087 0.000 1.340 290 Y HN 0.460 nan 8.280 nan 0.000 0.604 291 I N 2.013 122.635 120.570 0.086 0.000 2.509 291 I HA 0.400 4.570 4.170 -0.000 0.000 0.293 291 I C -0.604 175.543 176.117 0.049 0.000 1.020 291 I CA -0.377 60.917 61.300 -0.011 0.000 1.088 291 I CB 1.612 39.520 38.000 -0.153 0.000 1.267 291 I HN 0.626 nan 8.210 nan 0.000 0.430 292 C N 1.854 121.210 119.300 0.094 0.000 3.277 292 C HA 0.336 4.796 4.460 -0.000 0.000 0.367 292 C C 1.968 177.040 174.990 0.136 0.000 1.949 292 C CA -0.143 58.913 59.018 0.064 0.000 1.428 292 C CB 1.821 29.569 27.740 0.013 0.000 2.409 292 C HN 0.853 nan 8.230 nan 0.000 0.460 293 T N -0.086 114.483 114.554 0.025 0.000 2.674 293 T HA -0.121 4.229 4.350 -0.000 0.000 0.265 293 T C 0.534 175.174 174.700 -0.100 0.000 1.039 293 T CA 1.530 63.637 62.100 0.011 0.000 1.150 293 T CB -0.114 68.740 68.868 -0.024 0.000 0.864 293 T HN 0.784 nan 8.240 nan 0.000 0.427 294 C N 2.326 121.547 119.300 -0.132 0.000 2.355 294 C HA 0.485 4.945 4.460 -0.000 0.000 0.332 294 C C -1.620 173.210 174.990 -0.266 0.000 1.255 294 C CA -2.305 56.584 59.018 -0.216 0.000 1.792 294 C CB 1.190 28.862 27.740 -0.114 0.000 2.300 294 C HN 0.268 nan 8.230 nan 0.000 0.515 295 P HA -0.133 nan 4.420 nan 0.000 0.221 295 P C 1.538 178.819 177.300 -0.031 0.000 1.141 295 P CA 2.273 65.238 63.100 -0.226 0.000 0.794 295 P CB -0.055 31.564 31.700 -0.134 0.000 0.764 296 T N -5.068 109.420 114.554 -0.111 0.000 2.915 296 T HA -0.054 4.296 4.350 -0.000 0.000 0.269 296 T C 1.021 175.693 174.700 -0.047 0.000 1.071 296 T CA 0.867 62.872 62.100 -0.159 0.000 1.132 296 T CB -0.637 68.045 68.868 -0.310 0.000 0.878 296 T HN -0.010 nan 8.240 nan 0.000 0.479 297 N N 1.793 120.458 118.700 -0.060 0.000 3.234 297 N HA 0.477 5.217 4.740 -0.000 0.000 0.272 297 N C -0.791 174.689 175.510 -0.050 0.000 1.254 297 N CA 0.043 53.062 53.050 -0.052 0.000 1.087 297 N CB 0.392 38.850 38.487 -0.047 0.000 1.356 297 N HN 0.560 nan 8.380 nan 0.000 0.511 298 M N -1.554 117.978 119.600 -0.112 0.000 2.667 298 M HA 0.480 4.960 4.480 -0.000 0.000 0.286 298 M C 1.014 177.115 176.300 -0.331 0.000 1.270 298 M CA -0.758 54.414 55.300 -0.214 0.000 0.826 298 M CB 2.124 34.529 32.600 -0.324 0.000 1.743 298 M HN 0.370 nan 8.290 nan 0.000 0.460 299 G N 0.876 109.409 108.800 -0.445 0.000 2.687 299 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.303 299 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.303 299 G C 0.776 175.533 174.900 -0.238 0.000 1.209 299 G CA 1.366 45.997 45.100 -0.781 0.000 0.968 299 G HN 0.970 nan 8.290 nan 0.000 0.549 300 T N -1.116 113.395 114.554 -0.072 0.000 2.904 300 T HA 0.231 4.581 4.350 -0.000 0.000 0.267 300 T C 1.815 176.571 174.700 0.093 0.000 1.059 300 T CA 2.386 64.591 62.100 0.174 0.000 1.137 300 T CB -0.260 68.720 68.868 0.186 0.000 0.879 300 T HN 2.213 nan 8.240 nan 0.000 0.467 301 V N -0.587 119.327 119.914 0.000 0.000 3.774 301 V HA -0.158 3.962 4.120 -0.000 0.000 0.216 301 V C 0.467 176.560 176.094 -0.002 0.000 0.441 301 V CA 0.532 62.824 62.300 -0.013 0.000 0.985 301 V CB -2.917 28.904 31.823 -0.004 0.000 1.085 301 V HN 0.543 nan 8.190 nan 0.000 1.240 302 V N 0.896 120.814 119.914 0.007 0.000 2.465 302 V HA 0.498 4.618 4.120 -0.000 0.000 0.279 302 V C 0.588 176.635 176.094 -0.078 0.000 1.045 302 V CA -0.122 62.164 62.300 -0.023 0.000 0.938 302 V CB 1.720 33.543 31.823 -0.000 0.000 0.986 302 V HN 0.520 nan 8.190 nan 0.000 0.467 303 R N 3.873 124.300 120.500 -0.122 0.000 2.371 303 R HA 0.678 5.018 4.340 -0.000 0.000 0.312 303 R C -0.572 175.627 176.300 -0.168 0.000 0.980 303 R CA -0.371 55.657 56.100 -0.120 0.000 0.867 303 R CB 1.307 31.552 30.300 -0.091 0.000 1.163 303 R HN 0.794 nan 8.270 nan 0.000 0.492 304 A N 2.796 125.519 122.820 -0.161 0.000 2.260 304 A HA 0.502 4.821 4.320 -0.000 0.000 0.314 304 A C -0.483 177.041 177.584 -0.100 0.000 1.257 304 A CA -0.484 51.451 52.037 -0.170 0.000 0.871 304 A CB 0.935 19.812 19.000 -0.206 0.000 1.166 304 A HN 0.736 nan 8.150 nan 0.000 0.522 305 S N 1.347 116.991 115.700 -0.094 0.000 2.568 305 S HA 0.813 5.283 4.470 -0.000 0.000 0.293 305 S C -0.350 174.202 174.600 -0.080 0.000 1.089 305 S CA -0.157 58.005 58.200 -0.064 0.000 0.945 305 S CB 1.333 64.503 63.200 -0.049 0.000 1.077 305 S HN 1.846 nan 8.310 nan 0.000 0.485 306 V N -0.612 119.266 119.914 -0.061 0.000 2.960 306 V HA 0.616 4.736 4.120 -0.000 0.000 0.315 306 V C -0.830 175.299 176.094 0.060 0.000 1.087 306 V CA -0.902 61.352 62.300 -0.076 0.000 0.982 306 V CB 1.296 33.004 31.823 -0.191 0.000 1.039 306 V HN 1.071 nan 8.190 nan 0.000 0.437 307 H N 2.692 121.721 119.070 -0.068 0.000 2.641 307 H HA 0.538 5.094 4.556 -0.000 0.000 0.295 307 H C -0.750 174.571 175.328 -0.011 0.000 1.070 307 H CA -0.451 55.575 56.048 -0.038 0.000 1.257 307 H CB 1.461 31.181 29.762 -0.070 0.000 1.393 307 H HN 0.547 nan 8.280 nan 0.000 0.464 308 L N 3.762 125.064 121.223 0.133 0.000 2.317 308 L HA 0.365 4.705 4.340 -0.000 0.000 0.281 308 L C -0.021 176.949 176.870 0.166 0.000 1.024 308 L CA -0.999 53.911 54.840 0.117 0.000 0.810 308 L CB 1.225 43.332 42.059 0.081 0.000 1.240 308 L HN 0.483 nan 8.230 nan 0.000 0.427 309 R N 4.793 125.392 120.500 0.164 0.000 2.230 309 R HA 0.375 4.715 4.340 -0.000 0.000 0.337 309 R C -1.134 175.282 176.300 0.193 0.000 1.063 309 R CA -0.086 56.098 56.100 0.140 0.000 0.935 309 R CB 0.164 30.500 30.300 0.059 0.000 1.121 309 R HN 0.625 nan 8.270 nan 0.000 0.486 310 L N 4.916 126.242 121.223 0.172 0.000 2.843 310 L HA 0.371 4.711 4.340 -0.000 0.000 0.234 310 L C 1.149 178.034 176.870 0.024 0.000 1.264 310 L CA -0.429 54.459 54.840 0.080 0.000 1.052 310 L CB 1.032 43.022 42.059 -0.115 0.000 1.372 310 L HN 0.818 nan 8.230 nan 0.000 0.466 311 A N 0.146 122.980 122.820 0.025 0.000 2.076 311 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 311 A C 1.702 179.102 177.584 -0.307 0.000 1.160 311 A CA 1.727 53.677 52.037 -0.144 0.000 0.653 311 A CB -0.276 18.595 19.000 -0.215 0.000 0.801 311 A HN 0.545 nan 8.150 nan 0.000 0.455 312 F N -2.202 117.727 119.950 -0.036 0.000 2.553 312 F HA 0.266 4.793 4.527 -0.000 0.000 0.282 312 F C 1.829 177.570 175.800 -0.099 0.000 1.089 312 F CA 0.256 58.230 58.000 -0.043 0.000 1.411 312 F CB 0.013 39.005 39.000 -0.014 0.000 1.125 312 F HN 0.122 nan 8.300 nan 0.000 0.610 313 L N 0.750 121.959 121.223 -0.024 0.000 2.156 313 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 313 L C 2.409 178.974 176.870 -0.509 0.000 1.095 313 L CA 1.264 55.955 54.840 -0.249 0.000 0.770 313 L CB -0.344 41.492 42.059 -0.371 0.000 0.914 313 L HN 0.237 nan 8.230 nan 0.000 0.439 314 E N -0.465 119.385 120.200 -0.583 0.000 2.265 314 E HA -0.279 4.071 4.350 -0.000 0.000 0.196 314 E C 1.756 178.289 176.600 -0.111 0.000 0.996 314 E CA 1.089 57.159 56.400 -0.550 0.000 0.832 314 E CB -0.016 29.599 29.700 -0.143 0.000 0.756 314 E HN 0.313 nan 8.360 nan 0.000 0.491 315 K N 0.303 120.667 120.400 -0.060 0.000 2.243 315 K HA 0.029 4.349 4.320 -0.000 0.000 0.201 315 K C 0.766 177.389 176.600 0.038 0.000 1.051 315 K CA 0.348 56.640 56.287 0.009 0.000 0.970 315 K CB -0.127 32.375 32.500 0.003 0.000 0.755 315 K HN 0.234 nan 8.250 nan 0.000 0.465 316 H N 2.099 121.146 119.070 -0.037 0.000 3.004 316 H HA -0.013 4.543 4.556 -0.000 0.000 0.316 316 H C -1.742 173.612 175.328 0.043 0.000 1.014 316 H CA -1.068 54.980 56.048 -0.001 0.000 1.454 316 H CB 1.116 30.867 29.762 -0.018 0.000 1.472 316 H HN -0.010 nan 8.280 nan 0.000 0.571 317 P HA -0.082 nan 4.420 nan 0.000 0.228 317 P C 0.465 177.817 177.300 0.086 0.000 1.151 317 P CA 1.083 64.141 63.100 -0.071 0.000 0.770 317 P CB 0.187 31.790 31.700 -0.162 0.000 0.786 318 R N -2.309 118.384 120.500 0.321 0.000 2.468 318 R HA 0.157 4.497 4.340 -0.000 0.000 0.280 318 R C 1.547 177.999 176.300 0.254 0.000 0.963 318 R CA -0.485 55.778 56.100 0.273 0.000 1.083 318 R CB -0.449 30.023 30.300 0.286 0.000 1.200 318 R HN 0.016 nan 8.270 nan 0.000 0.541 319 F N 2.961 122.955 119.950 0.073 0.000 2.015 319 F HA -0.301 4.226 4.527 -0.000 0.000 0.297 319 F C 1.557 177.295 175.800 -0.102 0.000 1.141 319 F CA 1.828 59.801 58.000 -0.046 0.000 1.192 319 F CB -0.319 38.631 39.000 -0.084 0.000 0.957 319 F HN -0.011 nan 8.300 nan 0.000 0.491 320 D N 0.141 120.396 120.400 -0.243 0.000 2.116 320 D HA -0.237 4.403 4.640 -0.000 0.000 0.193 320 D C 2.270 178.435 176.300 -0.225 0.000 0.998 320 D CA 1.635 55.402 54.000 -0.389 0.000 0.836 320 D CB -0.723 39.911 40.800 -0.277 0.000 0.951 320 D HN 0.580 nan 8.370 nan 0.000 0.449 321 E N 0.373 120.510 120.200 -0.105 0.000 2.070 321 E HA -0.231 4.119 4.350 -0.000 0.000 0.197 321 E C 2.113 178.672 176.600 -0.069 0.000 1.004 321 E CA 1.034 57.391 56.400 -0.071 0.000 0.805 321 E CB -0.202 29.488 29.700 -0.017 0.000 0.744 321 E HN 0.245 nan 8.360 nan 0.000 0.451 322 M N 0.335 119.913 119.600 -0.037 0.000 2.229 322 M HA -0.123 4.356 4.480 -0.000 0.000 0.264 322 M C 2.041 178.298 176.300 -0.073 0.000 1.063 322 M CA 1.124 56.407 55.300 -0.029 0.000 1.114 322 M CB 0.061 32.671 32.600 0.016 0.000 1.387 322 M HN 0.172 nan 8.290 nan 0.000 0.420 323 L N -0.274 120.860 121.223 -0.150 0.000 2.056 323 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 323 L C 2.660 179.407 176.870 -0.205 0.000 1.078 323 L CA 1.293 56.007 54.840 -0.210 0.000 0.749 323 L CB -1.376 40.447 42.059 -0.393 0.000 0.901 323 L HN 0.494 nan 8.230 nan 0.000 0.433 324 G N 0.131 108.797 108.800 -0.224 0.000 2.459 324 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 324 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 324 G C 1.652 176.455 174.900 -0.162 0.000 1.183 324 G CA 0.731 45.689 45.100 -0.237 0.000 0.776 324 G HN 0.279 nan 8.290 nan 0.000 0.552 325 K N -0.231 120.109 120.400 -0.100 0.000 2.209 325 K HA 0.108 4.428 4.320 -0.000 0.000 0.204 325 K C 2.197 178.774 176.600 -0.038 0.000 1.048 325 K CA 0.429 56.686 56.287 -0.050 0.000 0.940 325 K CB -0.184 32.298 32.500 -0.030 0.000 0.729 325 K HN 0.266 nan 8.250 nan 0.000 0.451 326 L N 0.713 121.904 121.223 -0.053 0.000 2.599 326 L HA 0.056 4.396 4.340 -0.000 0.000 0.230 326 L C -0.202 176.653 176.870 -0.024 0.000 1.141 326 L CA -0.114 54.709 54.840 -0.030 0.000 0.877 326 L CB -0.038 42.004 42.059 -0.028 0.000 1.009 326 L HN 0.143 nan 8.230 nan 0.000 0.447 327 R N 0.787 121.256 120.500 -0.052 0.000 3.205 327 R HA -0.141 4.199 4.340 -0.000 0.000 0.249 327 R C -0.959 175.360 176.300 0.031 0.000 0.937 327 R CA 0.709 56.789 56.100 -0.034 0.000 0.641 327 R CB -2.323 27.981 30.300 0.006 0.000 1.114 327 R HN 0.319 nan 8.270 nan 0.000 0.451 328 L N -0.965 120.245 121.223 -0.022 0.000 2.388 328 L HA 0.684 5.024 4.340 -0.000 0.000 0.264 328 L C 1.206 178.091 176.870 0.025 0.000 0.998 328 L CA -0.783 54.075 54.840 0.030 0.000 0.817 328 L CB 2.332 44.378 42.059 -0.021 0.000 1.338 328 L HN 0.266 nan 8.230 nan 0.000 0.414 329 G N 0.714 109.607 108.800 0.156 0.000 2.528 329 G HA2 0.488 4.448 3.960 -0.000 0.000 0.289 329 G HA3 0.488 4.448 3.960 -0.000 0.000 0.289 329 G C -1.197 173.741 174.900 0.063 0.000 1.192 329 G CA -0.316 44.915 45.100 0.219 0.000 0.921 329 G HN 0.543 nan 8.290 nan 0.000 0.512 330 K N 0.320 120.770 120.400 0.082 0.000 2.578 330 K HA 0.461 4.781 4.320 -0.000 0.000 0.250 330 K C -0.377 176.367 176.600 0.241 0.000 0.955 330 K CA -0.611 55.694 56.287 0.030 0.000 0.825 330 K CB 1.237 33.616 32.500 -0.202 0.000 1.151 330 K HN 0.581 nan 8.250 nan 0.000 0.432 331 R N 1.362 122.038 120.500 0.294 0.000 2.987 331 R HA 0.527 4.867 4.340 -0.000 0.000 0.248 331 R C 0.043 176.588 176.300 0.408 0.000 1.264 331 R CA -1.057 55.259 56.100 0.360 0.000 1.026 331 R CB 1.596 32.014 30.300 0.196 0.000 1.286 331 R HN 0.689 nan 8.270 nan 0.000 0.483 332 G N -0.815 108.123 108.800 0.230 0.000 2.583 332 G HA2 0.209 4.169 3.960 -0.000 0.000 0.280 332 G HA3 0.209 4.169 3.960 -0.000 0.000 0.280 332 G C 0.487 175.376 174.900 -0.018 0.000 1.376 332 G CA -0.310 44.865 45.100 0.126 0.000 1.043 332 G HN 0.496 nan 8.290 nan 0.000 0.538 333 T N -0.281 114.198 114.554 -0.124 0.000 2.896 333 T HA 0.030 4.380 4.350 -0.000 0.000 0.263 333 T C 2.119 176.839 174.700 0.034 0.000 1.050 333 T CA 1.212 63.175 62.100 -0.228 0.000 1.140 333 T CB -0.140 68.603 68.868 -0.209 0.000 0.877 333 T HN 0.574 nan 8.240 nan 0.000 0.457 334 G N 0.479 109.301 108.800 0.036 0.000 3.181 334 G HA2 0.499 4.459 3.960 -0.000 0.000 0.219 334 G HA3 0.499 4.459 3.960 -0.000 0.000 0.219 334 G C 0.683 175.618 174.900 0.058 0.000 1.182 334 G CA 0.095 45.248 45.100 0.087 0.000 0.791 334 G HN 0.855 nan 8.290 nan 0.000 0.537 335 G N -0.235 108.596 108.800 0.052 0.000 2.466 335 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.316 335 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.316 335 G C 0.461 175.325 174.900 -0.059 0.000 1.270 335 G CA 0.237 45.362 45.100 0.042 0.000 0.982 335 G HN 0.158 nan 8.290 nan 0.000 0.506 336 E N -0.106 120.066 120.200 -0.046 0.000 2.049 336 E HA -0.115 4.235 4.350 -0.000 0.000 0.198 336 E C 1.843 178.224 176.600 -0.365 0.000 1.007 336 E CA 1.707 58.053 56.400 -0.089 0.000 0.809 336 E CB -0.271 29.420 29.700 -0.015 0.000 0.749 336 E HN 0.772 nan 8.360 nan 0.000 0.450 337 S N 0.670 116.089 115.700 -0.469 0.000 4.087 337 S HA 0.302 4.772 4.470 -0.000 0.000 0.213 337 S C -0.400 173.470 174.600 -1.217 0.000 1.415 337 S CA -0.098 57.486 58.200 -1.026 0.000 0.893 337 S CB 0.197 63.160 63.200 -0.395 0.000 1.529 337 S HN 0.299 nan 8.310 nan 0.000 0.457 338 S N 1.348 116.174 115.700 -1.458 0.000 2.656 338 S HA 0.639 5.109 4.470 -0.000 0.000 0.265 338 S C -1.210 173.140 174.600 -0.417 0.000 1.110 338 S CA -1.184 56.603 58.200 -0.689 0.000 0.821 338 S CB 0.316 63.340 63.200 -0.292 0.000 1.099 338 S HN 0.397 nan 8.310 nan 0.000 0.471 339 L N 1.015 122.164 121.223 -0.122 0.000 2.298 339 L HA 0.888 5.228 4.340 -0.000 0.000 0.268 339 L C 0.768 177.665 176.870 0.044 0.000 1.010 339 L CA -1.112 53.682 54.840 -0.076 0.000 0.812 339 L CB 1.114 43.185 42.059 0.019 0.000 1.331 339 L HN 1.025 nan 8.230 nan 0.000 0.450 340 A N 0.400 123.311 122.820 0.152 0.000 2.511 340 A HA 0.447 4.767 4.320 -0.000 0.000 0.242 340 A C 0.095 177.560 177.584 -0.199 0.000 1.069 340 A CA 0.054 51.938 52.037 -0.256 0.000 0.763 340 A CB -0.355 18.039 19.000 -1.010 0.000 1.001 340 A HN 0.673 nan 8.150 nan 0.000 0.498 341 T N -0.353 114.070 114.554 -0.219 0.000 2.792 341 T HA 0.557 4.907 4.350 -0.000 0.000 0.280 341 T C -0.344 174.255 174.700 -0.167 0.000 0.990 341 T CA 0.006 62.018 62.100 -0.146 0.000 0.960 341 T CB 1.204 70.013 68.868 -0.097 0.000 0.939 341 T HN 0.751 nan 8.240 nan 0.000 0.439 342 D N 1.697 122.020 120.400 -0.128 0.000 2.988 342 D HA -0.183 4.457 4.640 -0.000 0.000 0.221 342 D C 0.625 176.857 176.300 -0.113 0.000 1.122 342 D CA 1.180 55.118 54.000 -0.104 0.000 0.821 342 D CB -1.588 39.160 40.800 -0.087 0.000 1.098 342 D HN 0.861 nan 8.370 nan 0.000 0.433 343 S N -2.346 113.269 115.700 -0.141 0.000 3.146 343 S HA -0.255 4.215 4.470 -0.000 0.000 0.285 343 S C 0.473 175.038 174.600 -0.059 0.000 1.293 343 S CA 1.466 59.627 58.200 -0.065 0.000 1.137 343 S CB -1.207 61.989 63.200 -0.007 0.000 1.357 343 S HN 0.531 nan 8.310 nan 0.000 0.678 344 T N 1.579 115.997 114.554 -0.227 0.000 2.767 344 T HA 0.616 4.966 4.350 -0.000 0.000 0.284 344 T C -0.573 173.932 174.700 -0.326 0.000 0.973 344 T CA -0.145 61.867 62.100 -0.146 0.000 0.996 344 T CB 0.621 69.406 68.868 -0.139 0.000 0.927 344 T HN 0.210 nan 8.240 nan 0.000 0.456 345 Y N 1.022 121.300 120.300 -0.036 0.000 2.446 345 Y HA 0.320 4.870 4.550 -0.000 0.000 0.345 345 Y C 0.383 176.291 175.900 0.013 0.000 0.984 345 Y CA -1.431 56.668 58.100 -0.002 0.000 1.058 345 Y CB 1.194 39.691 38.460 0.061 0.000 1.220 345 Y HN 0.513 nan 8.280 nan 0.000 0.455 346 D N 3.649 124.166 120.400 0.195 0.000 2.383 346 D HA 0.091 4.731 4.640 -0.000 0.000 0.245 346 D C -0.783 175.631 176.300 0.190 0.000 1.263 346 D CA 0.185 54.342 54.000 0.261 0.000 0.936 346 D CB 0.181 41.125 40.800 0.240 0.000 1.053 346 D HN 0.258 nan 8.370 nan 0.000 0.507 347 I N 3.158 123.813 120.570 0.141 0.000 2.336 347 I HA 0.211 4.381 4.170 -0.000 0.000 0.292 347 I C 0.783 176.923 176.117 0.039 0.000 0.991 347 I CA -0.593 60.750 61.300 0.070 0.000 1.227 347 I CB 0.688 38.708 38.000 0.034 0.000 1.366 347 I HN 0.351 nan 8.210 nan 0.000 0.466 348 S N 5.548 121.277 115.700 0.048 0.000 2.685 348 S HA 0.521 4.991 4.470 -0.000 0.000 0.282 348 S C -0.721 173.913 174.600 0.056 0.000 1.159 348 S CA -1.002 57.218 58.200 0.033 0.000 0.833 348 S CB 2.107 65.326 63.200 0.031 0.000 1.151 348 S HN 0.615 nan 8.310 nan 0.000 0.485 349 N N 1.641 120.359 118.700 0.031 0.000 2.420 349 N HA -0.027 4.713 4.740 -0.000 0.000 0.262 349 N C 0.689 176.257 175.510 0.096 0.000 1.144 349 N CA -0.600 52.483 53.050 0.056 0.000 0.952 349 N CB 0.395 38.888 38.487 0.009 0.000 1.081 349 N HN 0.937 nan 8.380 nan 0.000 0.480 350 W N 3.379 124.648 121.300 -0.052 0.000 2.379 350 W HA 0.017 4.677 4.660 -0.000 0.000 0.307 350 W C -0.101 176.378 176.519 -0.066 0.000 1.200 350 W CA 1.035 58.340 57.345 -0.067 0.000 1.297 350 W CB 0.085 29.491 29.460 -0.091 0.000 1.140 350 W HN 0.577 nan 8.180 nan 0.000 0.507 351 A N 1.191 124.050 122.820 0.065 0.000 2.322 351 A HA 0.377 4.697 4.320 -0.000 0.000 0.269 351 A C 0.814 178.443 177.584 0.075 0.000 1.094 351 A CA -0.185 51.877 52.037 0.042 0.000 0.807 351 A CB 0.642 19.725 19.000 0.138 0.000 1.047 351 A HN 0.403 nan 8.150 nan 0.000 0.487 352 R N 0.623 121.232 120.500 0.182 0.000 2.568 352 R HA 0.297 4.637 4.340 -0.000 0.000 0.254 352 R C -0.469 175.773 176.300 -0.096 0.000 0.925 352 R CA -0.229 55.895 56.100 0.041 0.000 1.025 352 R CB 0.412 30.713 30.300 0.002 0.000 1.428 352 R HN 0.568 nan 8.270 nan 0.000 0.573 353 L N 0.819 121.900 121.223 -0.237 0.000 2.322 353 L HA 0.446 4.786 4.340 -0.000 0.000 0.281 353 L C 0.332 177.197 176.870 -0.008 0.000 1.014 353 L CA 0.237 54.773 54.840 -0.506 0.000 0.815 353 L CB 1.778 43.091 42.059 -1.243 0.000 1.247 353 L HN 0.522 nan 8.230 nan 0.000 0.421 354 G N 3.262 112.256 108.800 0.324 0.000 2.179 354 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.220 354 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.220 354 G C -0.016 175.069 174.900 0.308 0.000 0.990 354 G CA -0.219 45.175 45.100 0.490 0.000 0.646 354 G HN 0.525 nan 8.290 nan 0.000 0.517 355 K N 0.494 121.071 120.400 0.294 0.000 2.502 355 K HA 0.586 4.906 4.320 -0.000 0.000 0.257 355 K C 0.321 177.025 176.600 0.174 0.000 0.938 355 K CA -0.139 56.253 56.287 0.175 0.000 0.819 355 K CB 2.108 34.695 32.500 0.145 0.000 1.333 355 K HN 0.416 nan 8.250 nan 0.000 0.434 356 S N 0.631 116.383 115.700 0.087 0.000 2.608 356 S HA 0.068 4.538 4.470 -0.000 0.000 0.261 356 S C 0.858 175.541 174.600 0.139 0.000 1.314 356 S CA -0.176 58.080 58.200 0.093 0.000 0.992 356 S CB 0.823 64.064 63.200 0.068 0.000 0.935 356 S HN 0.589 nan 8.310 nan 0.000 0.564 357 E N 0.722 121.032 120.200 0.185 0.000 2.077 357 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 357 E C 2.183 178.853 176.600 0.117 0.000 0.989 357 E CA 1.422 57.937 56.400 0.191 0.000 0.800 357 E CB -0.271 29.628 29.700 0.332 0.000 0.746 357 E HN 0.707 nan 8.360 nan 0.000 0.452 358 R N 1.208 121.842 120.500 0.222 0.000 2.080 358 R HA -0.206 4.134 4.340 -0.000 0.000 0.236 358 R C 1.937 178.265 176.300 0.048 0.000 1.137 358 R CA 1.856 58.065 56.100 0.182 0.000 0.943 358 R CB -0.230 30.232 30.300 0.269 0.000 0.846 358 R HN 0.197 nan 8.270 nan 0.000 0.431 359 E N 0.610 120.850 120.200 0.067 0.000 2.108 359 E HA -0.262 4.088 4.350 -0.000 0.000 0.203 359 E C 2.169 178.780 176.600 0.018 0.000 1.022 359 E CA 1.985 58.413 56.400 0.046 0.000 0.823 359 E CB -0.232 29.505 29.700 0.061 0.000 0.744 359 E HN 0.398 nan 8.360 nan 0.000 0.456 360 L N 0.375 121.604 121.223 0.012 0.000 1.994 360 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 360 L C 2.559 179.386 176.870 -0.071 0.000 1.071 360 L CA 0.958 55.792 54.840 -0.010 0.000 0.745 360 L CB -0.483 41.577 42.059 0.001 0.000 0.892 360 L HN 0.086 nan 8.230 nan 0.000 0.431 361 V N -0.453 119.354 119.914 -0.178 0.000 2.469 361 V HA -0.308 3.812 4.120 -0.000 0.000 0.251 361 V C 2.374 178.396 176.094 -0.119 0.000 1.064 361 V CA 1.836 63.986 62.300 -0.250 0.000 1.066 361 V CB -0.491 30.959 31.823 -0.622 0.000 0.667 361 V HN 0.470 nan 8.190 nan 0.000 0.461 362 Q N -0.305 119.450 119.800 -0.075 0.000 2.230 362 Q HA -0.092 4.248 4.340 -0.000 0.000 0.202 362 Q C 2.006 178.012 176.000 0.011 0.000 0.963 362 Q CA 1.407 57.202 55.803 -0.014 0.000 0.866 362 Q CB -0.232 28.512 28.738 0.009 0.000 0.931 362 Q HN 0.465 nan 8.270 nan 0.000 0.452 363 V N 0.476 120.396 119.914 0.009 0.000 2.261 363 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 363 V C 2.195 178.307 176.094 0.029 0.000 1.047 363 V CA 1.763 64.077 62.300 0.024 0.000 1.015 363 V CB -0.685 31.155 31.823 0.028 0.000 0.642 363 V HN 0.507 nan 8.190 nan 0.000 0.446 364 L N 0.004 121.239 121.223 0.020 0.000 2.261 364 L HA -0.136 4.204 4.340 -0.000 0.000 0.216 364 L C 2.222 179.149 176.870 0.095 0.000 1.114 364 L CA 1.770 56.628 54.840 0.031 0.000 0.777 364 L CB -0.275 41.783 42.059 -0.002 0.000 0.910 364 L HN 0.244 nan 8.230 nan 0.000 0.440 365 V N -0.066 119.921 119.914 0.121 0.000 2.331 365 V HA -0.190 3.930 4.120 -0.000 0.000 0.242 365 V C 2.251 178.447 176.094 0.169 0.000 1.034 365 V CA 1.627 64.062 62.300 0.226 0.000 1.027 365 V CB -0.451 31.433 31.823 0.102 0.000 0.667 365 V HN 0.361 nan 8.190 nan 0.000 0.457 366 D N 1.199 121.649 120.400 0.083 0.000 2.092 366 D HA -0.141 4.499 4.640 -0.000 0.000 0.193 366 D C 2.224 178.557 176.300 0.055 0.000 0.994 366 D CA 1.798 55.831 54.000 0.056 0.000 0.828 366 D CB -0.956 39.864 40.800 0.034 0.000 0.963 366 D HN 0.418 nan 8.370 nan 0.000 0.450 367 G N 0.822 109.650 108.800 0.046 0.000 2.513 367 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 367 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 367 G C 1.842 176.759 174.900 0.029 0.000 1.160 367 G CA 1.167 46.283 45.100 0.027 0.000 0.767 367 G HN 0.283 nan 8.290 nan 0.000 0.571 368 V N 1.297 121.241 119.914 0.051 0.000 2.548 368 V HA -0.137 3.983 4.120 -0.000 0.000 0.249 368 V C 2.599 178.732 176.094 0.065 0.000 1.055 368 V CA 1.678 63.990 62.300 0.019 0.000 1.065 368 V CB -0.415 31.349 31.823 -0.099 0.000 0.681 368 V HN 0.318 nan 8.190 nan 0.000 0.462 369 N N 0.332 119.111 118.700 0.133 0.000 2.120 369 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 369 N C 1.657 177.166 175.510 -0.001 0.000 1.024 369 N CA 1.150 54.245 53.050 0.075 0.000 0.852 369 N CB -0.568 37.955 38.487 0.061 0.000 1.003 369 N HN 0.333 nan 8.380 nan 0.000 0.424 370 L N 1.207 122.431 121.223 0.002 0.000 2.079 370 L HA -0.024 4.316 4.340 -0.000 0.000 0.210 370 L C 1.968 178.815 176.870 -0.038 0.000 1.081 370 L CA 1.230 56.058 54.840 -0.019 0.000 0.752 370 L CB -0.657 41.396 42.059 -0.010 0.000 0.896 370 L HN 0.132 nan 8.230 nan 0.000 0.433 371 L N -1.345 119.859 121.223 -0.031 0.000 2.027 371 L HA -0.228 4.112 4.340 -0.000 0.000 0.206 371 L C 2.482 179.300 176.870 -0.087 0.000 1.074 371 L CA 1.394 56.212 54.840 -0.037 0.000 0.745 371 L CB -0.479 41.579 42.059 -0.000 0.000 0.898 371 L HN 0.218 nan 8.230 nan 0.000 0.433 372 I N -0.056 120.426 120.570 -0.148 0.000 2.286 372 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 372 I C 2.797 178.790 176.117 -0.207 0.000 1.115 372 I CA 1.104 62.221 61.300 -0.304 0.000 1.392 372 I CB -0.507 37.146 38.000 -0.579 0.000 1.065 372 I HN 0.220 nan 8.210 nan 0.000 0.418 373 A N 0.082 122.820 122.820 -0.138 0.000 1.902 373 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 373 A C 2.451 179.987 177.584 -0.081 0.000 1.181 373 A CA 1.791 53.771 52.037 -0.094 0.000 0.623 373 A CB -1.100 17.859 19.000 -0.068 0.000 0.818 373 A HN 0.531 nan 8.150 nan 0.000 0.443 374 C N -0.929 118.320 119.300 -0.085 0.000 2.446 374 C HA -0.060 4.400 4.460 -0.000 0.000 0.277 374 C C 2.447 177.386 174.990 -0.084 0.000 1.275 374 C CA 1.076 60.036 59.018 -0.098 0.000 1.727 374 C CB -1.235 26.430 27.740 -0.124 0.000 2.010 374 C HN 0.794 nan 8.230 nan 0.000 0.486 375 D N 0.567 120.933 120.400 -0.056 0.000 2.158 375 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 375 D C 2.138 178.418 176.300 -0.033 0.000 0.995 375 D CA 1.494 55.507 54.000 0.022 0.000 0.846 375 D CB -0.049 40.828 40.800 0.129 0.000 0.941 375 D HN 0.446 nan 8.370 nan 0.000 0.456 376 K N -0.356 120.017 120.400 -0.045 0.000 2.062 376 K HA -0.065 4.255 4.320 -0.000 0.000 0.205 376 K C 2.158 178.682 176.600 -0.126 0.000 1.051 376 K CA 0.784 57.026 56.287 -0.077 0.000 0.941 376 K CB 0.110 32.589 32.500 -0.035 0.000 0.719 376 K HN 0.018 nan 8.250 nan 0.000 0.440 377 K N 1.002 121.344 120.400 -0.098 0.000 2.097 377 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 377 K C 2.115 178.654 176.600 -0.102 0.000 1.049 377 K CA 1.181 57.415 56.287 -0.088 0.000 0.933 377 K CB -0.287 32.171 32.500 -0.071 0.000 0.717 377 K HN 0.199 nan 8.250 nan 0.000 0.442 378 L N 0.498 121.655 121.223 -0.110 0.000 2.044 378 L HA -0.128 4.212 4.340 -0.000 0.000 0.205 378 L C 2.631 179.348 176.870 -0.256 0.000 1.075 378 L CA 1.156 55.946 54.840 -0.082 0.000 0.747 378 L CB -0.509 41.568 42.059 0.031 0.000 0.903 378 L HN 0.245 nan 8.230 nan 0.000 0.435 379 E N 1.102 120.937 120.200 -0.608 0.000 2.130 379 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 379 E C 1.697 178.006 176.600 -0.485 0.000 0.998 379 E CA 1.352 57.067 56.400 -1.142 0.000 0.806 379 E CB -0.006 28.965 29.700 -1.216 0.000 0.738 379 E HN 0.423 nan 8.360 nan 0.000 0.459 380 A N 0.142 122.796 122.820 -0.276 0.000 2.359 380 A HA 0.341 4.661 4.320 -0.000 0.000 0.240 380 A C 1.313 178.840 177.584 -0.094 0.000 1.306 380 A CA 0.516 52.465 52.037 -0.148 0.000 0.898 380 A CB -0.881 18.057 19.000 -0.104 0.000 0.956 380 A HN 0.442 nan 8.150 nan 0.000 0.497 381 G N -0.568 108.176 108.800 -0.093 0.000 2.390 381 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.299 381 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.299 381 G C 0.252 175.139 174.900 -0.021 0.000 1.002 381 G CA 1.069 46.150 45.100 -0.033 0.000 0.979 381 G HN 0.662 nan 8.290 nan 0.000 0.513 382 Q N -0.745 119.036 119.800 -0.030 0.000 3.036 382 Q HA 0.781 5.121 4.340 -0.000 0.000 0.195 382 Q C 0.728 176.729 176.000 0.002 0.000 1.139 382 Q CA 0.044 55.837 55.803 -0.017 0.000 0.544 382 Q CB 1.026 29.746 28.738 -0.030 0.000 4.824 382 Q HN 0.818 nan 8.270 nan 0.000 0.325 383 S N -0.529 115.170 115.700 -0.002 0.000 2.541 383 S HA 0.518 4.988 4.470 -0.000 0.000 0.271 383 S C -0.563 174.028 174.600 -0.015 0.000 1.133 383 S CA -0.846 57.364 58.200 0.016 0.000 0.876 383 S CB 0.812 64.030 63.200 0.031 0.000 1.105 383 S HN 0.618 nan 8.310 nan 0.000 0.470 384 I N -0.970 119.579 120.570 -0.035 0.000 3.326 384 I HA 0.464 4.634 4.170 -0.000 0.000 0.336 384 I C 0.665 176.740 176.117 -0.070 0.000 1.543 384 I CA -0.433 60.814 61.300 -0.090 0.000 1.013 384 I CB 0.436 38.322 38.000 -0.189 0.000 1.468 384 I HN 0.736 nan 8.210 nan 0.000 0.515 385 D N 2.625 123.022 120.400 -0.004 0.000 2.194 385 D HA -0.205 4.435 4.640 -0.000 0.000 0.204 385 D C 1.406 177.709 176.300 0.005 0.000 0.964 385 D CA 1.683 55.697 54.000 0.024 0.000 0.846 385 D CB 0.318 41.146 40.800 0.047 0.000 0.962 385 D HN 0.664 nan 8.370 nan 0.000 0.490 386 D N 0.064 120.462 120.400 -0.004 0.000 2.323 386 D HA -0.130 4.510 4.640 -0.000 0.000 0.209 386 D C 2.118 178.409 176.300 -0.015 0.000 0.973 386 D CA 0.320 54.316 54.000 -0.006 0.000 0.874 386 D CB -0.375 40.422 40.800 -0.006 0.000 0.930 386 D HN 0.317 nan 8.370 nan 0.000 0.521 387 M N 0.390 119.973 119.600 -0.028 0.000 2.193 387 M HA 0.116 4.596 4.480 -0.000 0.000 0.265 387 M C 1.153 177.433 176.300 -0.033 0.000 1.071 387 M CA 0.258 55.536 55.300 -0.036 0.000 1.140 387 M CB -0.309 32.258 32.600 -0.056 0.000 1.369 387 M HN -0.131 nan 8.290 nan 0.000 0.423 388 I N 3.013 123.561 120.570 -0.038 0.000 2.828 388 I HA -0.033 4.137 4.170 -0.000 0.000 0.292 388 I C -1.906 174.204 176.117 -0.011 0.000 1.206 388 I CA -1.317 59.968 61.300 -0.025 0.000 1.420 388 I CB -0.360 37.632 38.000 -0.013 0.000 1.368 388 I HN -0.107 nan 8.210 nan 0.000 0.556 389 P HA -0.039 nan 4.420 nan 0.000 0.261 389 P C -0.412 176.888 177.300 0.000 0.000 1.173 389 P CA 0.156 63.254 63.100 -0.004 0.000 0.760 389 P CB 0.429 32.127 31.700 -0.004 0.000 0.783 390 K N 0.000 120.402 120.400 0.003 0.000 2.780 390 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 390 K CA 0.000 56.290 56.287 0.005 0.000 0.838 390 K CB 0.000 32.503 32.500 0.005 0.000 1.064 390 K HN 0.000 nan 8.250 nan 0.000 0.543