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 2z8z_1_A DATA FIRST_RESID 2 DATA SEQUENCE GVYDYKNFGT ADSKALFSDA MAITLYSYHN LDNGFAAGYQ HNGFGLGLPA DATA SEQUENCE TLVTALLGGT DSQGVIPGIP WNPDSEKLAL DAVKKAGWTP ITASQLGYDG DATA SEQUENCE KTDARGTFFG EKAGYTTAQV EILGKYDAQG HLTEIGIAFR GTSGPRENLI DATA SEQUENCE LDSIGDVIND LLAAFGPKDY AKNYVGEAFG NLLNDVVAFA KANGLSGKDV DATA SEQUENCE LVSGHSLGGL AVNSMADLSG GKWGGFFADS NYIAYASPTQ SSTDKVLNVG DATA SEQUENCE YENDPVFRAL DGSTFTGASV GVHDAPKESA TDNIVSFNDH YASTAWNLLP DATA SEQUENCE FSILNIPTWI SHLPTAYGDG MNRIIESKFY DLTSKDSTII VANLSDPARA DATA SEQUENCE NTWVQDLNRN AETHKGSTFI IGSDSNDLIQ GGSGNDYLEG RAGNDTFRDG DATA SEQUENCE GGYNVILGGA GNNTLDLQKS VNTFDFANDG AGNLYVRDAN GGICITRDIG DATA SEQUENCE SIVTKEPGFL WGLFKDDVTH SVTASGLKVG SNVTQYDASV KGTNGADTLK DATA SEQUENCE AHAGGDWLFG LDGNDHLIGG VGNDVFVGGA GNDLMESGGG ADTFLFNGAF DATA SEQUENCE GQDRVVGFTS NDKLVFLGVQ GVLPNDDFRA HASMVGQDTV LKFGGDSVTL DATA SEQUENCE VGVALNSLSA DGIVIA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.226 3.960 -1.224 0.000 0.244 2 G C 0.000 174.626 174.900 -0.457 0.000 0.946 2 G CA 0.000 44.748 45.100 -0.587 0.000 0.502 3 V N 0.833 120.292 119.914 -0.757 0.000 2.453 3 V HA -0.129 3.257 4.120 -1.224 0.000 0.252 3 V C 1.521 177.426 176.094 -0.316 0.000 1.068 3 V CA 1.833 63.785 62.300 -0.579 0.000 1.070 3 V CB -0.554 30.779 31.823 -0.817 0.000 0.664 3 V HN 0.656 nan 8.190 nan 0.000 0.461 4 Y N 0.013 120.323 120.300 0.015 0.000 2.625 4 Y HA 0.404 4.220 4.550 -1.224 0.000 0.285 4 Y C 0.586 176.599 175.900 0.189 0.000 1.168 4 Y CA -1.787 56.367 58.100 0.090 0.000 1.250 4 Y CB -0.839 37.578 38.460 -0.072 0.000 1.130 4 Y HN 0.252 nan 8.280 nan 0.000 0.526 5 D N 0.619 121.178 120.400 0.266 0.000 2.488 5 D HA -0.075 3.831 4.640 -1.224 0.000 0.238 5 D C -0.744 175.768 176.300 0.353 0.000 1.138 5 D CA 0.892 55.052 54.000 0.266 0.000 0.873 5 D CB 0.427 41.319 40.800 0.153 0.000 1.183 5 D HN 0.210 nan 8.370 nan 0.000 0.458 6 Y N 2.347 122.783 120.300 0.227 0.000 2.406 6 Y HA 0.227 4.044 4.550 -1.222 0.000 0.340 6 Y C 0.708 176.802 175.900 0.324 0.000 0.975 6 Y CA -0.730 57.520 58.100 0.251 0.000 1.056 6 Y CB 0.849 39.445 38.460 0.227 0.000 1.210 6 Y HN 0.462 nan 8.280 nan 0.000 0.448 7 K N 2.003 122.175 120.400 -0.380 0.000 1.867 7 K HA -0.395 3.191 4.320 -1.224 0.000 0.140 7 K C -0.096 176.431 176.600 -0.121 0.000 1.408 7 K CA 2.168 58.263 56.287 -0.321 0.000 0.461 7 K CB -0.852 31.394 32.500 -0.422 0.000 0.594 7 K HN 0.925 nan 8.250 nan 0.000 0.888 8 N N -0.135 118.449 118.700 -0.194 0.000 2.238 8 N HA 0.210 4.215 4.740 -1.224 0.000 0.222 8 N C -0.650 174.786 175.510 -0.123 0.000 1.133 8 N CA -0.451 52.510 53.050 -0.148 0.000 0.854 8 N CB 0.146 38.517 38.487 -0.193 0.000 1.041 8 N HN 0.085 nan 8.380 nan 0.000 0.510 9 F N 1.173 121.136 119.950 0.023 0.000 2.490 9 F HA 0.240 4.033 4.527 -1.223 0.000 0.336 9 F C 1.804 177.644 175.800 0.065 0.000 1.178 9 F CA -0.368 57.669 58.000 0.062 0.000 1.301 9 F CB 0.316 39.389 39.000 0.122 0.000 1.175 9 F HN -0.065 nan 8.300 nan 0.000 0.593 10 G N 0.602 109.560 108.800 0.264 0.000 2.653 10 G HA2 0.225 3.451 3.960 -1.224 0.000 0.265 10 G HA3 0.225 3.451 3.960 -1.224 0.000 0.265 10 G C 0.784 175.800 174.900 0.193 0.000 1.237 10 G CA -0.247 44.958 45.100 0.174 0.000 0.946 10 G HN 0.647 nan 8.290 nan 0.000 0.522 11 T N 0.868 115.517 114.554 0.158 0.000 2.635 11 T HA -0.217 3.399 4.350 -1.224 0.000 0.267 11 T C 2.763 177.560 174.700 0.162 0.000 1.040 11 T CA 2.287 64.500 62.100 0.188 0.000 1.156 11 T CB -0.466 68.507 68.868 0.174 0.000 0.863 11 T HN 0.638 nan 8.240 nan 0.000 0.430 12 A N 1.872 124.760 122.820 0.113 0.000 1.873 12 A HA -0.110 3.475 4.320 -1.224 0.000 0.215 12 A C 2.146 179.765 177.584 0.059 0.000 1.186 12 A CA 1.645 53.720 52.037 0.063 0.000 0.616 12 A CB -0.683 18.348 19.000 0.051 0.000 0.823 12 A HN 0.357 nan 8.150 nan 0.000 0.442 13 D N 0.063 120.521 120.400 0.097 0.000 2.144 13 D HA -0.079 3.826 4.640 -1.224 0.000 0.199 13 D C 2.224 178.520 176.300 -0.007 0.000 0.984 13 D CA 1.496 55.538 54.000 0.069 0.000 0.834 13 D CB -0.354 40.566 40.800 0.200 0.000 0.955 13 D HN 0.364 nan 8.370 nan 0.000 0.465 14 S N 0.377 116.135 115.700 0.097 0.000 2.382 14 S HA -0.123 3.613 4.470 -1.224 0.000 0.228 14 S C 1.796 176.465 174.600 0.113 0.000 1.027 14 S CA 0.910 59.182 58.200 0.120 0.000 0.991 14 S CB 0.034 63.398 63.200 0.273 0.000 0.823 14 S HN 0.299 nan 8.310 nan 0.000 0.469 15 K N 1.417 121.862 120.400 0.075 0.000 2.057 15 K HA 0.013 3.599 4.320 -1.224 0.000 0.207 15 K C 2.416 179.043 176.600 0.046 0.000 1.049 15 K CA 1.201 57.494 56.287 0.010 0.000 0.931 15 K CB -0.320 32.083 32.500 -0.162 0.000 0.714 15 K HN 0.324 nan 8.250 nan 0.000 0.440 16 A N 1.336 124.161 122.820 0.007 0.000 1.933 16 A HA -0.124 3.461 4.320 -1.224 0.000 0.218 16 A C 2.120 179.702 177.584 -0.004 0.000 1.175 16 A CA 1.182 53.220 52.037 0.001 0.000 0.628 16 A CB -0.581 18.408 19.000 -0.019 0.000 0.814 16 A HN 0.155 nan 8.150 nan 0.000 0.444 17 L N -2.136 119.053 121.223 -0.057 0.000 2.017 17 L HA -0.161 3.444 4.340 -1.224 0.000 0.208 17 L C 2.455 179.286 176.870 -0.065 0.000 1.073 17 L CA 1.789 56.562 54.840 -0.111 0.000 0.745 17 L CB -0.502 41.404 42.059 -0.255 0.000 0.894 17 L HN 0.525 nan 8.230 nan 0.000 0.432 18 F N 0.220 120.088 119.950 -0.137 0.000 2.095 18 F HA -0.295 3.497 4.527 -1.225 0.000 0.298 18 F C 2.611 178.359 175.800 -0.087 0.000 1.104 18 F CA 1.990 59.904 58.000 -0.145 0.000 1.232 18 F CB -0.160 38.742 39.000 -0.164 0.000 0.987 18 F HN -0.046 nan 8.300 nan 0.000 0.475 19 S N -0.045 115.733 115.700 0.129 0.000 2.383 19 S HA -0.181 3.555 4.470 -1.224 0.000 0.227 19 S C 1.604 176.186 174.600 -0.030 0.000 1.026 19 S CA 1.255 59.492 58.200 0.062 0.000 0.981 19 S CB -0.418 62.839 63.200 0.095 0.000 0.818 19 S HN 0.447 nan 8.310 nan 0.000 0.472 20 D N 1.726 122.137 120.400 0.018 0.000 2.144 20 D HA -0.015 3.891 4.640 -1.224 0.000 0.199 20 D C 2.126 178.332 176.300 -0.157 0.000 0.984 20 D CA 1.155 55.207 54.000 0.087 0.000 0.834 20 D CB -0.359 40.622 40.800 0.302 0.000 0.955 20 D HN 0.378 nan 8.370 nan 0.000 0.465 21 A N 0.768 123.451 122.820 -0.229 0.000 1.902 21 A HA -0.188 3.397 4.320 -1.224 0.000 0.217 21 A C 2.151 179.585 177.584 -0.250 0.000 1.181 21 A CA 1.760 53.633 52.037 -0.273 0.000 0.623 21 A CB -0.511 18.311 19.000 -0.297 0.000 0.818 21 A HN 0.170 nan 8.150 nan 0.000 0.443 22 M N 0.308 119.684 119.600 -0.373 0.000 2.117 22 M HA -0.038 3.707 4.480 -1.224 0.000 0.262 22 M C 2.133 178.235 176.300 -0.331 0.000 1.065 22 M CA 1.767 56.760 55.300 -0.512 0.000 1.114 22 M CB -0.679 31.587 32.600 -0.557 0.000 1.361 22 M HN 0.373 nan 8.290 nan 0.000 0.408 23 A N 0.439 123.122 122.820 -0.229 0.000 1.877 23 A HA -0.106 3.480 4.320 -1.224 0.000 0.216 23 A C 2.175 179.634 177.584 -0.208 0.000 1.186 23 A CA 1.912 53.856 52.037 -0.155 0.000 0.620 23 A CB -1.380 17.597 19.000 -0.039 0.000 0.822 23 A HN 0.790 nan 8.150 nan 0.000 0.443 24 I N -3.292 117.064 120.570 -0.356 0.000 2.394 24 I HA -0.111 3.325 4.170 -1.224 0.000 0.251 24 I C 2.052 178.010 176.117 -0.264 0.000 1.136 24 I CA 1.988 63.051 61.300 -0.396 0.000 1.425 24 I CB -0.955 36.614 38.000 -0.719 0.000 1.079 24 I HN 0.103 nan 8.210 nan 0.000 0.425 25 T N 2.309 116.702 114.554 -0.269 0.000 2.708 25 T HA -0.032 3.584 4.350 -1.224 0.000 0.266 25 T C 1.990 176.567 174.700 -0.205 0.000 1.037 25 T CA 1.799 63.756 62.100 -0.238 0.000 1.146 25 T CB -0.347 68.374 68.868 -0.244 0.000 0.865 25 T HN 0.335 nan 8.240 nan 0.000 0.435 26 L N -0.294 120.820 121.223 -0.182 0.000 2.083 26 L HA -0.088 3.518 4.340 -1.224 0.000 0.209 26 L C 2.381 179.194 176.870 -0.096 0.000 1.083 26 L CA 1.395 56.174 54.840 -0.103 0.000 0.752 26 L CB -0.608 41.390 42.059 -0.102 0.000 0.899 26 L HN 0.276 nan 8.230 nan 0.000 0.433 27 Y N 1.298 121.448 120.300 -0.251 0.000 2.165 27 Y HA -0.328 3.489 4.550 -1.221 0.000 0.286 27 Y C 2.928 178.489 175.900 -0.566 0.000 1.155 27 Y CA 1.477 59.372 58.100 -0.343 0.000 1.164 27 Y CB -0.429 37.853 38.460 -0.297 0.000 0.978 27 Y HN 0.286 nan 8.280 nan 0.000 0.513 28 S N -1.368 113.999 115.700 -0.555 0.000 2.419 28 S HA -0.229 3.506 4.470 -1.224 0.000 0.233 28 S C 1.612 175.881 174.600 -0.552 0.000 1.016 28 S CA 1.261 59.089 58.200 -0.620 0.000 0.974 28 S CB -1.040 61.889 63.200 -0.452 0.000 0.786 28 S HN 0.511 nan 8.310 nan 0.000 0.492 29 Y N 1.556 121.650 120.300 -0.343 0.000 2.511 29 Y HA 0.226 4.055 4.550 -1.201 0.000 0.279 29 Y C 0.787 176.634 175.900 -0.089 0.000 1.157 29 Y CA -0.079 57.926 58.100 -0.158 0.000 1.300 29 Y CB -0.479 37.894 38.460 -0.145 0.000 1.052 29 Y HN 0.388 nan 8.280 nan 0.000 0.529 30 H N 0.285 119.317 119.070 -0.063 0.000 2.655 30 H HA -0.244 3.576 4.556 -1.226 0.000 0.313 30 H C 0.155 175.516 175.328 0.054 0.000 1.141 30 H CA 0.818 56.828 56.048 -0.064 0.000 1.138 30 H CB -1.656 28.049 29.762 -0.095 0.000 1.446 30 H HN 0.457 nan 8.280 nan 0.000 0.415 31 N N -1.167 117.595 118.700 0.102 0.000 2.776 31 N HA -0.205 3.800 4.740 -1.224 0.000 0.250 31 N C 1.477 177.061 175.510 0.123 0.000 1.112 31 N CA 0.883 53.987 53.050 0.090 0.000 0.733 31 N CB -1.083 37.451 38.487 0.079 0.000 1.097 31 N HN 0.407 nan 8.380 nan 0.000 0.558 32 L N 1.948 123.251 121.223 0.133 0.000 2.034 32 L HA -0.190 3.415 4.340 -1.224 0.000 0.217 32 L C 1.835 178.751 176.870 0.076 0.000 1.077 32 L CA 2.811 57.723 54.840 0.121 0.000 0.769 32 L CB -0.313 41.797 42.059 0.086 0.000 0.890 32 L HN 0.356 nan 8.230 nan 0.000 0.435 33 D N -1.981 118.413 120.400 -0.009 0.000 2.342 33 D HA -0.102 3.804 4.640 -1.224 0.000 0.221 33 D C 1.470 177.836 176.300 0.109 0.000 1.101 33 D CA 0.057 54.075 54.000 0.030 0.000 0.837 33 D CB -0.884 39.869 40.800 -0.079 0.000 0.938 33 D HN 0.466 nan 8.370 nan 0.000 0.508 34 N N 1.507 120.262 118.700 0.091 0.000 2.062 34 N HA -0.132 3.874 4.740 -1.224 0.000 0.191 34 N C 1.960 177.527 175.510 0.094 0.000 1.042 34 N CA 2.001 55.093 53.050 0.071 0.000 0.845 34 N CB -0.536 37.971 38.487 0.033 0.000 1.024 34 N HN 0.303 nan 8.380 nan 0.000 0.424 35 G N 0.011 108.876 108.800 0.108 0.000 2.440 35 G HA2 -0.254 2.972 3.960 -1.224 0.000 0.218 35 G HA3 -0.254 2.972 3.960 -1.224 0.000 0.218 35 G C 1.503 176.498 174.900 0.158 0.000 1.154 35 G CA 0.511 45.677 45.100 0.110 0.000 0.767 35 G HN 0.393 nan 8.290 nan 0.000 0.552 36 F N 2.305 122.309 119.950 0.090 0.000 2.095 36 F HA 0.003 4.631 4.527 0.169 0.000 0.298 36 F C 2.854 178.737 175.800 0.140 0.000 1.104 36 F CA 1.575 59.642 58.000 0.112 0.000 1.232 36 F CB -0.218 38.839 39.000 0.095 0.000 0.987 36 F HN 0.228 nan 8.300 nan 0.000 0.475 37 A N 0.200 123.196 122.820 0.292 0.000 1.940 37 A HA -0.112 3.474 4.320 -1.224 0.000 0.219 37 A C 2.353 180.033 177.584 0.161 0.000 1.176 37 A CA 1.813 53.983 52.037 0.222 0.000 0.631 37 A CB -1.536 17.562 19.000 0.165 0.000 0.814 37 A HN 0.503 nan 8.150 nan 0.000 0.446 38 A N -0.621 122.257 122.820 0.097 0.000 1.930 38 A HA 0.184 3.770 4.320 -1.224 0.000 0.217 38 A C 2.359 179.970 177.584 0.044 0.000 1.175 38 A CA 1.775 53.849 52.037 0.062 0.000 0.627 38 A CB -1.218 17.799 19.000 0.028 0.000 0.815 38 A HN 0.674 nan 8.150 nan 0.000 0.443 39 G N -1.409 107.387 108.800 -0.007 0.000 2.404 39 G HA2 -0.252 2.974 3.960 -1.224 0.000 0.215 39 G HA3 -0.252 2.974 3.960 -1.224 0.000 0.215 39 G C 1.546 176.423 174.900 -0.040 0.000 1.174 39 G CA 1.205 46.279 45.100 -0.043 0.000 0.780 39 G HN 0.608 nan 8.290 nan 0.000 0.537 40 Y N 1.135 121.306 120.300 -0.215 0.000 2.128 40 Y HA -0.227 3.589 4.550 -1.223 0.000 0.284 40 Y C 2.943 178.835 175.900 -0.014 0.000 1.154 40 Y CA 2.495 60.523 58.100 -0.119 0.000 1.149 40 Y CB -0.289 38.100 38.460 -0.118 0.000 0.976 40 Y HN 0.281 nan 8.280 nan 0.000 0.505 41 Q N -0.579 119.190 119.800 -0.052 0.000 2.084 41 Q HA -0.219 3.387 4.340 -1.224 0.000 0.202 41 Q C 2.188 178.116 176.000 -0.120 0.000 0.978 41 Q CA 2.294 58.026 55.803 -0.118 0.000 0.844 41 Q CB -0.615 28.155 28.738 0.054 0.000 0.898 41 Q HN 0.733 nan 8.270 nan 0.000 0.426 42 H N -0.919 118.083 119.070 -0.112 0.000 2.395 42 H HA 0.087 3.905 4.556 -1.229 0.000 0.299 42 H C 0.868 176.135 175.328 -0.101 0.000 1.070 42 H CA 2.065 58.060 56.048 -0.088 0.000 1.356 42 H CB 0.174 29.903 29.762 -0.055 0.000 1.401 42 H HN 0.414 nan 8.280 nan 0.000 0.524 43 N N -0.899 117.726 118.700 -0.125 0.000 2.273 43 N HA 0.253 4.259 4.740 -1.224 0.000 0.192 43 N C 0.140 175.588 175.510 -0.104 0.000 1.132 43 N CA 0.212 53.195 53.050 -0.111 0.000 0.887 43 N CB 1.809 40.293 38.487 -0.005 0.000 1.048 43 N HN 0.473 nan 8.380 nan 0.000 0.490 44 G N 1.173 109.858 108.800 -0.191 0.000 2.627 44 G HA2 -0.279 2.947 3.960 -1.224 0.000 0.214 44 G HA3 -0.279 2.947 3.960 -1.224 0.000 0.214 44 G C -0.746 174.260 174.900 0.178 0.000 1.331 44 G CA -0.488 44.544 45.100 -0.113 0.000 0.891 44 G HN 0.178 nan 8.290 nan 0.000 0.539 45 F N 2.305 122.368 119.950 0.189 0.000 2.708 45 F HA 0.485 4.189 4.527 -1.371 0.000 0.300 45 F C 1.988 178.059 175.800 0.451 0.000 1.118 45 F CA 0.782 58.981 58.000 0.331 0.000 1.307 45 F CB -0.009 39.189 39.000 0.329 0.000 0.986 45 F HN 0.800 nan 8.300 nan 0.000 0.522 46 G N 1.046 110.035 108.800 0.314 0.000 2.513 46 G HA2 -0.273 2.953 3.960 -1.224 0.000 0.219 46 G HA3 -0.273 2.953 3.960 -1.224 0.000 0.219 46 G C 1.539 176.538 174.900 0.165 0.000 1.160 46 G CA 1.097 46.331 45.100 0.222 0.000 0.767 46 G HN 0.424 nan 8.290 nan 0.000 0.571 47 L N 0.819 122.094 121.223 0.086 0.000 2.591 47 L HA 0.270 3.875 4.340 -1.224 0.000 0.228 47 L C 1.834 178.704 176.870 0.000 0.000 1.133 47 L CA 0.123 54.997 54.840 0.057 0.000 0.880 47 L CB -0.635 41.461 42.059 0.061 0.000 1.033 47 L HN 0.514 nan 8.230 nan 0.000 0.450 48 G N 0.952 109.568 108.800 -0.306 0.000 2.569 48 G HA2 -0.334 2.892 3.960 -1.224 0.000 0.259 48 G HA3 -0.334 2.892 3.960 -1.224 0.000 0.259 48 G C -0.732 174.044 174.900 -0.205 0.000 1.263 48 G CA -0.050 44.585 45.100 -0.775 0.000 0.928 48 G HN 0.119 nan 8.290 nan 0.000 0.572 49 L N 2.030 123.276 121.223 0.037 0.000 2.376 49 L HA 0.629 4.234 4.340 -1.224 0.000 0.275 49 L C -1.907 175.002 176.870 0.064 0.000 0.987 49 L CA -1.880 53.079 54.840 0.198 0.000 0.828 49 L CB 2.205 44.387 42.059 0.205 0.000 1.249 49 L HN 0.618 nan 8.230 nan 0.000 0.409 50 P HA 0.176 nan 4.420 nan 0.000 0.275 50 P C 0.154 177.412 177.300 -0.071 0.000 1.227 50 P CA -0.407 62.701 63.100 0.013 0.000 0.781 50 P CB 1.635 33.368 31.700 0.055 0.000 0.906 51 A N 3.105 125.880 122.820 -0.075 0.000 2.024 51 A HA -0.185 3.400 4.320 -1.224 0.000 0.220 51 A C 1.966 179.476 177.584 -0.124 0.000 1.164 51 A CA 2.333 54.292 52.037 -0.131 0.000 0.643 51 A CB -1.793 17.144 19.000 -0.105 0.000 0.806 51 A HN 0.687 nan 8.150 nan 0.000 0.451 52 T N -2.112 112.399 114.554 -0.072 0.000 2.881 52 T HA -0.121 3.494 4.350 -1.224 0.000 0.270 52 T C 1.668 176.329 174.700 -0.065 0.000 1.068 52 T CA 1.396 63.465 62.100 -0.052 0.000 1.131 52 T CB -0.360 68.498 68.868 -0.016 0.000 0.871 52 T HN 0.239 nan 8.240 nan 0.000 0.479 53 L N 1.187 122.349 121.223 -0.102 0.000 2.072 53 L HA 0.177 3.783 4.340 -1.224 0.000 0.205 53 L C 2.576 179.374 176.870 -0.120 0.000 1.079 53 L CA 1.126 55.890 54.840 -0.128 0.000 0.752 53 L CB -0.733 41.170 42.059 -0.260 0.000 0.906 53 L HN 0.150 nan 8.230 nan 0.000 0.436 54 V N -0.107 119.679 119.914 -0.213 0.000 2.295 54 V HA -0.307 3.079 4.120 -1.224 0.000 0.246 54 V C 2.722 178.706 176.094 -0.183 0.000 1.049 54 V CA 2.222 64.312 62.300 -0.350 0.000 1.024 54 V CB -1.378 29.990 31.823 -0.759 0.000 0.648 54 V HN 0.744 nan 8.190 nan 0.000 0.447 55 T N -1.075 113.398 114.554 -0.136 0.000 2.821 55 T HA -0.111 3.504 4.350 -1.224 0.000 0.267 55 T C 1.939 176.648 174.700 0.015 0.000 1.046 55 T CA 1.420 63.487 62.100 -0.055 0.000 1.139 55 T CB -0.481 68.357 68.868 -0.050 0.000 0.871 55 T HN 0.458 nan 8.240 nan 0.000 0.454 56 A N 1.787 124.617 122.820 0.017 0.000 1.902 56 A HA 0.125 3.711 4.320 -1.224 0.000 0.217 56 A C 2.463 180.130 177.584 0.138 0.000 1.181 56 A CA 1.443 53.520 52.037 0.067 0.000 0.623 56 A CB -0.986 18.042 19.000 0.048 0.000 0.818 56 A HN 0.540 nan 8.150 nan 0.000 0.443 57 L N -0.935 120.378 121.223 0.150 0.000 2.083 57 L HA -0.151 3.455 4.340 -1.224 0.000 0.209 57 L C 2.476 179.539 176.870 0.321 0.000 1.083 57 L CA 1.002 56.009 54.840 0.278 0.000 0.752 57 L CB -0.366 41.894 42.059 0.335 0.000 0.899 57 L HN 0.375 nan 8.230 nan 0.000 0.433 58 L N -1.333 120.036 121.223 0.244 0.000 2.209 58 L HA 0.015 3.621 4.340 -1.224 0.000 0.207 58 L C 2.149 179.140 176.870 0.203 0.000 1.094 58 L CA 1.075 56.061 54.840 0.245 0.000 0.790 58 L CB -0.410 41.766 42.059 0.195 0.000 0.932 58 L HN 0.270 nan 8.230 nan 0.000 0.447 59 G N -1.505 107.391 108.800 0.161 0.000 2.944 59 G HA2 0.444 3.670 3.960 -1.224 0.000 0.223 59 G HA3 0.444 3.670 3.960 -1.224 0.000 0.223 59 G C 0.714 175.700 174.900 0.143 0.000 1.071 59 G CA 0.428 45.610 45.100 0.137 0.000 0.806 59 G HN 0.456 nan 8.290 nan 0.000 0.538 60 G N -0.293 108.603 108.800 0.159 0.000 2.741 60 G HA2 0.254 3.480 3.960 -1.224 0.000 0.222 60 G HA3 0.254 3.480 3.960 -1.224 0.000 0.222 60 G C -0.089 174.881 174.900 0.118 0.000 1.364 60 G CA 0.118 45.313 45.100 0.158 0.000 0.866 60 G HN 1.400 nan 8.290 nan 0.000 0.555 61 T N -2.123 112.497 114.554 0.110 0.000 2.906 61 T HA 0.680 4.295 4.350 -1.224 0.000 0.295 61 T C -0.797 173.936 174.700 0.055 0.000 1.061 61 T CA 0.226 62.367 62.100 0.067 0.000 1.000 61 T CB 2.387 71.287 68.868 0.054 0.000 1.103 61 T HN 1.527 nan 8.240 nan 0.000 0.486 62 D N -0.062 120.349 120.400 0.020 0.000 2.342 62 D HA 0.639 4.545 4.640 -1.224 0.000 0.243 62 D C -1.122 175.154 176.300 -0.039 0.000 1.019 62 D CA -0.642 53.356 54.000 -0.004 0.000 0.864 62 D CB 1.835 42.629 40.800 -0.009 0.000 1.315 62 D HN 0.724 nan 8.370 nan 0.000 0.468 63 S N 2.315 117.980 115.700 -0.058 0.000 2.652 63 S HA 0.565 4.301 4.470 -1.224 0.000 0.273 63 S C -1.294 173.247 174.600 -0.098 0.000 1.172 63 S CA -0.949 57.209 58.200 -0.069 0.000 1.009 63 S CB 1.328 64.514 63.200 -0.024 0.000 1.094 63 S HN 0.671 nan 8.310 nan 0.000 0.471 64 Q N 1.232 120.927 119.800 -0.175 0.000 2.898 64 Q HA 0.454 4.060 4.340 -1.224 0.000 0.228 64 Q C 0.021 175.703 176.000 -0.529 0.000 1.012 64 Q CA 0.869 56.539 55.803 -0.222 0.000 0.972 64 Q CB 0.878 29.580 28.738 -0.061 0.000 2.038 64 Q HN 2.007 nan 8.270 nan 0.000 0.497 65 G N 0.724 108.906 108.800 -1.029 0.000 2.562 65 G HA2 -0.038 3.188 3.960 -1.224 0.000 0.250 65 G HA3 -0.038 3.188 3.960 -1.224 0.000 0.250 65 G C -0.798 173.712 174.900 -0.649 0.000 1.269 65 G CA 0.218 44.334 45.100 -1.640 0.000 0.919 65 G HN 1.684 nan 8.290 nan 0.000 0.574 66 V N -0.681 118.952 119.914 -0.468 0.000 2.882 66 V HA 0.707 4.093 4.120 -1.224 0.000 0.295 66 V C -1.174 174.835 176.094 -0.142 0.000 1.273 66 V CA -0.690 61.388 62.300 -0.370 0.000 0.949 66 V CB 1.573 33.091 31.823 -0.508 0.000 1.071 66 V HN 1.531 nan 8.190 nan 0.000 0.432 67 I N 6.597 127.148 120.570 -0.032 0.000 2.710 67 I HA 0.503 3.939 4.170 -1.224 0.000 0.290 67 I C -2.816 173.323 176.117 0.037 0.000 1.318 67 I CA -1.370 59.924 61.300 -0.009 0.000 1.045 67 I CB 2.564 40.559 38.000 -0.007 0.000 1.307 67 I HN 0.524 nan 8.210 nan 0.000 0.424 68 P HA 0.222 nan 4.420 nan 0.000 0.276 68 P C 0.223 177.559 177.300 0.059 0.000 1.252 68 P CA -0.212 62.916 63.100 0.047 0.000 0.802 68 P CB 0.746 32.464 31.700 0.029 0.000 1.035 69 G N 1.405 110.253 108.800 0.079 0.000 2.327 69 G HA2 0.386 3.612 3.960 -1.224 0.000 0.278 69 G HA3 0.386 3.612 3.960 -1.224 0.000 0.278 69 G C -0.231 174.780 174.900 0.185 0.000 1.145 69 G CA -0.061 45.112 45.100 0.122 0.000 1.097 69 G HN 0.448 nan 8.290 nan 0.000 0.430 70 I N 4.201 124.890 120.570 0.198 0.000 2.606 70 I HA 0.112 3.548 4.170 -1.224 0.000 0.275 70 I C -2.579 173.682 176.117 0.239 0.000 1.220 70 I CA -1.339 60.107 61.300 0.243 0.000 1.098 70 I CB 2.938 41.027 38.000 0.148 0.000 1.321 70 I HN 0.310 nan 8.210 nan 0.000 0.468 71 P HA 0.029 nan 4.420 nan 0.000 0.271 71 P C -1.235 176.237 177.300 0.287 0.000 1.218 71 P CA 0.186 63.418 63.100 0.220 0.000 0.780 71 P CB 0.475 32.268 31.700 0.154 0.000 0.901 72 W N 3.934 125.274 121.300 0.067 0.000 2.411 72 W HA 0.326 4.243 4.660 -1.239 0.000 0.317 72 W C -0.570 175.978 176.519 0.048 0.000 1.030 72 W CA -0.719 56.661 57.345 0.059 0.000 1.239 72 W CB 0.535 30.024 29.460 0.049 0.000 1.304 72 W HN 0.198 nan 8.180 nan 0.000 0.437 73 N N 7.372 125.822 118.700 -0.416 0.000 2.431 73 N HA 0.097 4.103 4.740 -1.224 0.000 0.265 73 N C -1.704 173.068 175.510 -1.231 0.000 1.184 73 N CA -1.245 51.473 53.050 -0.553 0.000 0.943 73 N CB 1.754 40.072 38.487 -0.282 0.000 1.080 73 N HN 0.223 nan 8.380 nan 0.000 0.477 74 P HA -0.019 nan 4.420 nan 0.000 0.222 74 P C -0.133 176.737 177.300 -0.717 0.000 1.147 74 P CA 1.026 63.253 63.100 -1.455 0.000 0.790 74 P CB 0.333 31.648 31.700 -0.642 0.000 0.780 75 D N -1.671 118.476 120.400 -0.423 0.000 2.336 75 D HA 0.089 3.995 4.640 -1.224 0.000 0.228 75 D C 1.462 177.691 176.300 -0.118 0.000 1.120 75 D CA 0.235 54.122 54.000 -0.188 0.000 0.839 75 D CB -0.176 40.551 40.800 -0.122 0.000 0.932 75 D HN 0.044 nan 8.370 nan 0.000 0.509 76 S N 1.006 116.603 115.700 -0.172 0.000 2.372 76 S HA -0.248 3.488 4.470 -1.224 0.000 0.227 76 S C 1.861 176.514 174.600 0.087 0.000 1.044 76 S CA 1.441 59.629 58.200 -0.021 0.000 1.050 76 S CB 0.096 63.339 63.200 0.072 0.000 0.901 76 S HN 0.253 nan 8.310 nan 0.000 0.447 77 E N 1.322 121.598 120.200 0.125 0.000 2.028 77 E HA -0.059 3.557 4.350 -1.224 0.000 0.191 77 E C 2.014 178.706 176.600 0.154 0.000 0.988 77 E CA 1.394 57.894 56.400 0.167 0.000 0.799 77 E CB -0.267 29.526 29.700 0.155 0.000 0.755 77 E HN 0.431 nan 8.360 nan 0.000 0.447 78 K N -0.182 120.278 120.400 0.100 0.000 2.097 78 K HA -0.083 3.503 4.320 -1.224 0.000 0.206 78 K C 2.243 178.888 176.600 0.075 0.000 1.049 78 K CA 0.986 57.323 56.287 0.083 0.000 0.933 78 K CB -0.161 32.367 32.500 0.047 0.000 0.717 78 K HN 0.148 nan 8.250 nan 0.000 0.442 79 L N 0.397 121.653 121.223 0.055 0.000 2.017 79 L HA -0.201 3.405 4.340 -1.224 0.000 0.208 79 L C 2.609 179.525 176.870 0.077 0.000 1.073 79 L CA 1.428 56.294 54.840 0.044 0.000 0.745 79 L CB -0.533 41.535 42.059 0.015 0.000 0.894 79 L HN 0.291 nan 8.230 nan 0.000 0.432 80 A N -0.269 122.622 122.820 0.118 0.000 1.858 80 A HA -0.233 3.353 4.320 -1.224 0.000 0.216 80 A C 2.180 179.922 177.584 0.262 0.000 1.190 80 A CA 1.686 53.827 52.037 0.173 0.000 0.617 80 A CB -0.802 18.296 19.000 0.163 0.000 0.827 80 A HN 0.307 nan 8.150 nan 0.000 0.443 81 L N 0.272 121.671 121.223 0.293 0.000 2.012 81 L HA -0.209 3.397 4.340 -1.224 0.000 0.210 81 L C 1.714 178.609 176.870 0.043 0.000 1.073 81 L CA 2.597 57.552 54.840 0.191 0.000 0.748 81 L CB -0.738 41.439 42.059 0.196 0.000 0.891 81 L HN 0.371 nan 8.230 nan 0.000 0.431 82 D N -0.338 120.095 120.400 0.055 0.000 2.117 82 D HA -0.163 3.743 4.640 -1.224 0.000 0.197 82 D C 2.191 178.501 176.300 0.016 0.000 0.987 82 D CA 1.498 55.513 54.000 0.024 0.000 0.829 82 D CB -0.222 40.593 40.800 0.024 0.000 0.961 82 D HN 0.506 nan 8.370 nan 0.000 0.460 83 A N 0.603 123.442 122.820 0.032 0.000 1.902 83 A HA -0.139 3.447 4.320 -1.224 0.000 0.217 83 A C 2.449 180.041 177.584 0.014 0.000 1.181 83 A CA 1.310 53.362 52.037 0.025 0.000 0.623 83 A CB -0.856 18.165 19.000 0.035 0.000 0.818 83 A HN 0.190 nan 8.150 nan 0.000 0.443 84 V N -0.040 119.863 119.914 -0.018 0.000 2.453 84 V HA -0.198 3.187 4.120 -1.224 0.000 0.247 84 V C 2.344 178.448 176.094 0.018 0.000 1.048 84 V CA 2.337 64.601 62.300 -0.060 0.000 1.049 84 V CB -0.507 31.096 31.823 -0.367 0.000 0.672 84 V HN 0.579 nan 8.190 nan 0.000 0.457 85 K N -0.164 120.218 120.400 -0.030 0.000 2.097 85 K HA -0.230 3.356 4.320 -1.224 0.000 0.206 85 K C 2.228 178.824 176.600 -0.007 0.000 1.049 85 K CA 1.689 57.969 56.287 -0.011 0.000 0.933 85 K CB -0.214 32.271 32.500 -0.024 0.000 0.717 85 K HN 0.394 nan 8.250 nan 0.000 0.442 86 K N 0.914 121.314 120.400 0.001 0.000 2.147 86 K HA -0.091 3.494 4.320 -1.224 0.000 0.205 86 K C 1.760 178.361 176.600 0.000 0.000 1.049 86 K CA 1.203 57.489 56.287 -0.003 0.000 0.936 86 K CB -0.016 32.485 32.500 0.002 0.000 0.722 86 K HN 0.095 nan 8.250 nan 0.000 0.446 87 A N -0.159 122.686 122.820 0.042 0.000 2.235 87 A HA 0.188 3.774 4.320 -1.224 0.000 0.208 87 A C 1.273 178.840 177.584 -0.028 0.000 1.172 87 A CA 0.890 52.973 52.037 0.076 0.000 0.786 87 A CB -0.222 18.889 19.000 0.184 0.000 0.804 87 A HN 0.580 nan 8.150 nan 0.000 0.479 88 G N -3.242 105.487 108.800 -0.118 0.000 2.192 88 G HA2 -0.200 3.026 3.960 -1.224 0.000 0.193 88 G HA3 -0.200 3.026 3.960 -1.224 0.000 0.193 88 G C -0.295 174.337 174.900 -0.446 0.000 0.999 88 G CA -0.251 44.646 45.100 -0.338 0.000 0.659 88 G HN 0.387 nan 8.290 nan 0.000 0.503 89 W N 0.717 121.978 121.300 -0.065 0.000 2.606 89 W HA 0.703 4.630 4.660 -1.222 0.000 0.332 89 W C 0.079 176.545 176.519 -0.087 0.000 1.052 89 W CA -0.566 56.733 57.345 -0.075 0.000 1.223 89 W CB 2.006 31.372 29.460 -0.156 0.000 1.383 89 W HN 0.064 nan 8.180 nan 0.000 0.524 90 T N 3.452 118.156 114.554 0.250 0.000 2.881 90 T HA 0.340 3.956 4.350 -1.224 0.000 0.290 90 T C -2.664 172.125 174.700 0.149 0.000 1.000 90 T CA -1.704 60.478 62.100 0.136 0.000 0.978 90 T CB 1.651 70.589 68.868 0.116 0.000 0.997 90 T HN -0.109 nan 8.240 nan 0.000 0.443 91 P HA 0.159 nan 4.420 nan 0.000 0.264 91 P C -0.560 176.816 177.300 0.127 0.000 1.183 91 P CA -0.026 63.134 63.100 0.099 0.000 0.763 91 P CB 0.288 32.057 31.700 0.114 0.000 0.807 92 I N 1.732 122.380 120.570 0.130 0.000 2.396 92 I HA 0.170 3.605 4.170 -1.224 0.000 0.292 92 I C 1.130 177.321 176.117 0.124 0.000 0.999 92 I CA -0.248 61.103 61.300 0.085 0.000 1.310 92 I CB 1.110 39.072 38.000 -0.064 0.000 1.404 92 I HN 0.203 nan 8.210 nan 0.000 0.496 93 T N 4.156 118.756 114.554 0.076 0.000 2.904 93 T HA 0.228 3.843 4.350 -1.224 0.000 0.290 93 T C 1.183 175.972 174.700 0.148 0.000 1.018 93 T CA 0.019 62.166 62.100 0.078 0.000 1.075 93 T CB 1.571 70.471 68.868 0.052 0.000 0.986 93 T HN 0.760 nan 8.240 nan 0.000 0.523 94 A N 2.326 125.246 122.820 0.166 0.000 1.908 94 A HA -0.078 3.508 4.320 -1.224 0.000 0.218 94 A C 2.599 180.306 177.584 0.205 0.000 1.181 94 A CA 2.294 54.522 52.037 0.318 0.000 0.627 94 A CB -1.096 18.084 19.000 0.301 0.000 0.818 94 A HN 0.758 nan 8.150 nan 0.000 0.445 95 S N -0.748 115.026 115.700 0.123 0.000 2.359 95 S HA -0.268 3.467 4.470 -1.224 0.000 0.224 95 S C 2.162 176.816 174.600 0.090 0.000 1.035 95 S CA 1.835 60.093 58.200 0.096 0.000 1.018 95 S CB -0.433 62.809 63.200 0.071 0.000 0.876 95 S HN 0.678 nan 8.310 nan 0.000 0.448 96 Q N 0.115 119.954 119.800 0.066 0.000 2.096 96 Q HA -0.060 3.545 4.340 -1.224 0.000 0.204 96 Q C 2.179 178.162 176.000 -0.029 0.000 0.982 96 Q CA 1.651 57.487 55.803 0.055 0.000 0.850 96 Q CB -0.317 28.421 28.738 0.000 0.000 0.901 96 Q HN 0.546 nan 8.270 nan 0.000 0.422 97 L N -0.795 120.341 121.223 -0.145 0.000 2.478 97 L HA 0.041 3.647 4.340 -1.224 0.000 0.223 97 L C 1.199 178.117 176.870 0.079 0.000 1.140 97 L CA 0.445 55.204 54.840 -0.136 0.000 0.842 97 L CB -0.358 41.596 42.059 -0.175 0.000 0.953 97 L HN 0.440 nan 8.230 nan 0.000 0.452 98 G N -0.300 108.574 108.800 0.123 0.000 2.198 98 G HA2 -0.358 2.868 3.960 -1.224 0.000 0.260 98 G HA3 -0.358 2.868 3.960 -1.224 0.000 0.260 98 G C -0.065 174.942 174.900 0.179 0.000 1.025 98 G CA 0.012 45.194 45.100 0.135 0.000 0.769 98 G HN 0.355 nan 8.290 nan 0.000 0.507 99 Y N 1.110 121.459 120.300 0.080 0.000 2.327 99 Y HA 0.520 4.336 4.550 -1.224 0.000 0.336 99 Y C 0.819 176.789 175.900 0.117 0.000 1.035 99 Y CA -0.883 57.285 58.100 0.113 0.000 1.165 99 Y CB 1.130 39.702 38.460 0.187 0.000 1.181 99 Y HN 0.071 nan 8.280 nan 0.000 0.494 100 D N 3.254 123.474 120.400 -0.299 0.000 2.349 100 D HA 0.098 4.003 4.640 -1.224 0.000 0.215 100 D C 0.957 177.031 176.300 -0.376 0.000 1.016 100 D CA 0.573 54.426 54.000 -0.245 0.000 0.870 100 D CB 0.195 40.904 40.800 -0.151 0.000 0.917 100 D HN 0.766 nan 8.370 nan 0.000 0.524 101 G N 0.043 108.299 108.800 -0.905 0.000 2.525 101 G HA2 0.218 3.444 3.960 -1.224 0.000 0.287 101 G HA3 0.218 3.444 3.960 -1.224 0.000 0.287 101 G C -0.175 174.696 174.900 -0.048 0.000 1.350 101 G CA -0.570 44.200 45.100 -0.549 0.000 1.039 101 G HN -0.045 nan 8.290 nan 0.000 0.513 102 K N -0.244 120.259 120.400 0.172 0.000 2.298 102 K HA 0.428 4.013 4.320 -1.224 0.000 0.280 102 K C -0.207 176.576 176.600 0.305 0.000 1.032 102 K CA -0.070 56.333 56.287 0.194 0.000 0.958 102 K CB 0.415 33.001 32.500 0.145 0.000 0.978 102 K HN 0.611 nan 8.250 nan 0.000 0.472 103 T N 0.374 115.003 114.554 0.126 0.000 2.906 103 T HA 0.305 3.921 4.350 -1.224 0.000 0.295 103 T C -0.539 174.204 174.700 0.072 0.000 1.061 103 T CA -1.118 60.991 62.100 0.015 0.000 1.000 103 T CB 1.489 70.154 68.868 -0.339 0.000 1.103 103 T HN 0.641 nan 8.240 nan 0.000 0.486 104 D N 1.283 121.778 120.400 0.157 0.000 2.507 104 D HA 0.508 4.414 4.640 -1.224 0.000 0.280 104 D C 1.692 178.005 176.300 0.021 0.000 1.219 104 D CA -0.420 53.643 54.000 0.104 0.000 1.085 104 D CB 0.064 40.981 40.800 0.195 0.000 1.134 104 D HN 0.647 nan 8.370 nan 0.000 0.583 105 A N -0.697 122.130 122.820 0.011 0.000 2.019 105 A HA -0.136 3.450 4.320 -1.224 0.000 0.219 105 A C 2.133 179.715 177.584 -0.002 0.000 1.164 105 A CA 1.071 53.108 52.037 -0.000 0.000 0.644 105 A CB -0.578 18.422 19.000 0.000 0.000 0.805 105 A HN 0.510 nan 8.150 nan 0.000 0.449 106 R N -1.780 118.708 120.500 -0.021 0.000 2.275 106 R HA 0.170 3.776 4.340 -1.224 0.000 0.199 106 R C 1.291 177.603 176.300 0.020 0.000 0.989 106 R CA 0.591 56.681 56.100 -0.016 0.000 1.016 106 R CB -0.014 30.188 30.300 -0.162 0.000 0.918 106 R HN 0.686 nan 8.270 nan 0.000 0.473 107 G N 0.788 109.564 108.800 -0.041 0.000 2.159 107 G HA2 -0.236 2.989 3.960 -1.224 0.000 0.227 107 G HA3 -0.236 2.989 3.960 -1.224 0.000 0.227 107 G C 0.166 174.916 174.900 -0.251 0.000 0.986 107 G CA 0.071 45.097 45.100 -0.123 0.000 0.651 107 G HN 0.272 nan 8.290 nan 0.000 0.523 108 T N 1.162 115.613 114.554 -0.171 0.000 2.919 108 T HA 0.517 4.133 4.350 -1.224 0.000 0.302 108 T C 0.202 174.668 174.700 -0.391 0.000 1.031 108 T CA 0.352 62.307 62.100 -0.241 0.000 1.127 108 T CB 0.740 69.443 68.868 -0.275 0.000 0.952 108 T HN 0.214 nan 8.240 nan 0.000 0.540 109 F N 1.648 121.423 119.950 -0.291 0.000 2.397 109 F HA 0.629 4.421 4.527 -1.225 0.000 0.331 109 F C 0.036 175.669 175.800 -0.279 0.000 1.090 109 F CA -0.983 56.934 58.000 -0.138 0.000 1.065 109 F CB 0.943 39.826 39.000 -0.194 0.000 1.184 109 F HN 0.438 nan 8.300 nan 0.000 0.499 110 F N 0.049 120.283 119.950 0.473 0.000 2.579 110 F HA 0.636 4.428 4.527 -1.226 0.000 0.324 110 F C 0.763 176.801 175.800 0.397 0.000 1.058 110 F CA -1.158 57.096 58.000 0.422 0.000 0.944 110 F CB 1.207 40.348 39.000 0.235 0.000 1.245 110 F HN 0.536 nan 8.300 nan 0.000 0.477 111 G N 0.422 109.402 108.800 0.301 0.000 2.614 111 G HA2 0.250 3.475 3.960 -1.224 0.000 0.239 111 G HA3 0.250 3.475 3.960 -1.224 0.000 0.239 111 G C 0.087 175.000 174.900 0.021 0.000 1.240 111 G CA -0.225 44.766 45.100 -0.183 0.000 0.842 111 G HN 0.851 nan 8.290 nan 0.000 0.584 112 E N -0.288 119.866 120.200 -0.076 0.000 2.413 112 E HA 0.093 3.708 4.350 -1.224 0.000 0.203 112 E C 0.478 177.094 176.600 0.026 0.000 0.957 112 E CA 0.359 56.778 56.400 0.032 0.000 0.950 112 E CB 0.580 30.307 29.700 0.045 0.000 0.957 112 E HN 0.349 nan 8.360 nan 0.000 0.497 113 K N 0.677 121.090 120.400 0.020 0.000 2.328 113 K HA 0.573 4.159 4.320 -1.224 0.000 0.246 113 K C -0.780 175.921 176.600 0.168 0.000 0.955 113 K CA -0.834 55.500 56.287 0.079 0.000 0.817 113 K CB 2.031 34.550 32.500 0.032 0.000 1.208 113 K HN -0.034 nan 8.250 nan 0.000 0.432 114 A N 0.761 123.651 122.820 0.115 0.000 2.584 114 A HA 0.299 3.884 4.320 -1.224 0.000 0.239 114 A C 1.173 178.793 177.584 0.061 0.000 1.043 114 A CA 1.490 53.572 52.037 0.075 0.000 0.756 114 A CB -0.968 18.062 19.000 0.051 0.000 0.963 114 A HN 0.981 nan 8.150 nan 0.000 0.511 115 G N 0.965 109.721 108.800 -0.072 0.000 2.213 115 G HA2 -0.270 2.956 3.960 -1.224 0.000 0.236 115 G HA3 -0.270 2.956 3.960 -1.224 0.000 0.236 115 G C 0.256 174.788 174.900 -0.613 0.000 0.991 115 G CA 0.850 45.748 45.100 -0.337 0.000 0.629 115 G HN 1.079 nan 8.290 nan 0.000 0.517 116 Y N -0.612 119.657 120.300 -0.051 0.000 2.672 116 Y HA 0.392 4.208 4.550 -1.224 0.000 0.252 116 Y C 2.190 178.045 175.900 -0.075 0.000 1.132 116 Y CA 0.532 58.547 58.100 -0.142 0.000 1.228 116 Y CB 0.586 38.835 38.460 -0.351 0.000 1.310 116 Y HN 0.161 nan 8.280 nan 0.000 0.549 117 T N -0.218 114.393 114.554 0.096 0.000 3.055 117 T HA -0.094 3.521 4.350 -1.224 0.000 0.265 117 T C 1.935 176.750 174.700 0.190 0.000 1.111 117 T CA 1.994 64.164 62.100 0.117 0.000 1.118 117 T CB -0.082 68.826 68.868 0.066 0.000 0.909 117 T HN 0.550 nan 8.240 nan 0.000 0.501 118 T N -1.011 113.656 114.554 0.188 0.000 3.086 118 T HA 0.574 4.190 4.350 -1.224 0.000 0.250 118 T C 0.779 175.686 174.700 0.345 0.000 1.074 118 T CA 0.033 62.299 62.100 0.276 0.000 0.988 118 T CB -0.009 68.971 68.868 0.187 0.000 0.988 118 T HN 0.248 nan 8.240 nan 0.000 0.530 119 A N 1.222 124.225 122.820 0.305 0.000 2.425 119 A HA 0.555 4.141 4.320 -1.224 0.000 0.242 119 A C 0.070 177.914 177.584 0.433 0.000 1.077 119 A CA -0.313 51.945 52.037 0.369 0.000 0.781 119 A CB 0.238 19.432 19.000 0.324 0.000 1.020 119 A HN 0.636 nan 8.150 nan 0.000 0.494 120 Q N -0.520 119.501 119.800 0.367 0.000 2.413 120 Q HA 0.671 4.277 4.340 -1.224 0.000 0.276 120 Q C -1.414 174.613 176.000 0.045 0.000 1.099 120 Q CA -0.684 55.158 55.803 0.065 0.000 0.814 120 Q CB 2.662 31.302 28.738 -0.163 0.000 1.379 120 Q HN 0.634 nan 8.270 nan 0.000 0.436 121 V N 1.276 121.060 119.914 -0.217 0.000 2.888 121 V HA 0.378 3.764 4.120 -1.224 0.000 0.309 121 V C -1.604 174.337 176.094 -0.255 0.000 1.114 121 V CA -0.570 61.475 62.300 -0.424 0.000 0.940 121 V CB 2.277 33.512 31.823 -0.980 0.000 1.021 121 V HN 0.703 nan 8.190 nan 0.000 0.426 122 E N 5.888 125.926 120.200 -0.270 0.000 2.175 122 E HA 0.484 4.100 4.350 -1.224 0.000 0.278 122 E C -1.007 175.449 176.600 -0.241 0.000 0.969 122 E CA -0.553 55.786 56.400 -0.101 0.000 0.796 122 E CB 2.098 31.792 29.700 -0.011 0.000 1.104 122 E HN 0.443 nan 8.360 nan 0.000 0.395 123 I N 4.396 124.898 120.570 -0.113 0.000 2.382 123 I HA 0.323 3.759 4.170 -1.224 0.000 0.285 123 I C -0.315 175.762 176.117 -0.066 0.000 1.007 123 I CA -0.581 60.573 61.300 -0.243 0.000 1.142 123 I CB 0.372 38.099 38.000 -0.454 0.000 1.289 123 I HN 0.303 nan 8.210 nan 0.000 0.453 124 L N 5.027 126.204 121.223 -0.078 0.000 2.341 124 L HA 0.903 4.509 4.340 -1.224 0.000 0.267 124 L C 0.513 177.556 176.870 0.288 0.000 1.009 124 L CA -0.438 54.462 54.840 0.099 0.000 0.819 124 L CB 2.163 44.248 42.059 0.043 0.000 1.323 124 L HN 0.607 nan 8.230 nan 0.000 0.425 125 G N 0.331 109.353 108.800 0.370 0.000 2.495 125 G HA2 0.637 3.863 3.960 -1.224 0.000 0.318 125 G HA3 0.637 3.863 3.960 -1.224 0.000 0.318 125 G C -1.668 173.198 174.900 -0.056 0.000 1.257 125 G CA -0.498 44.695 45.100 0.155 0.000 0.962 125 G HN 0.503 nan 8.290 nan 0.000 0.483 126 K N 0.872 120.947 120.400 -0.542 0.000 2.270 126 K HA 0.636 4.222 4.320 -1.224 0.000 0.255 126 K C -1.529 174.668 176.600 -0.673 0.000 0.936 126 K CA -0.766 55.093 56.287 -0.713 0.000 0.809 126 K CB 1.350 33.113 32.500 -1.229 0.000 1.131 126 K HN 0.518 nan 8.250 nan 0.000 0.427 127 Y N 1.445 121.615 120.300 -0.217 0.000 2.499 127 Y HA 0.180 3.995 4.550 -1.224 0.000 0.347 127 Y C 0.027 175.849 175.900 -0.130 0.000 0.987 127 Y CA -1.033 56.993 58.100 -0.124 0.000 1.044 127 Y CB 1.446 39.852 38.460 -0.089 0.000 1.245 127 Y HN 0.764 nan 8.280 nan 0.000 0.461 128 D N 0.562 120.992 120.400 0.050 0.000 2.414 128 D HA 0.261 4.166 4.640 -1.224 0.000 0.251 128 D C 1.054 177.335 176.300 -0.032 0.000 1.252 128 D CA -0.214 53.783 54.000 -0.005 0.000 0.999 128 D CB 0.630 41.439 40.800 0.015 0.000 1.093 128 D HN 0.594 nan 8.370 nan 0.000 0.515 129 A N -0.757 122.032 122.820 -0.051 0.000 2.125 129 A HA -0.173 3.413 4.320 -1.224 0.000 0.219 129 A C 1.700 179.217 177.584 -0.111 0.000 1.156 129 A CA 1.088 53.084 52.037 -0.068 0.000 0.671 129 A CB -0.544 18.424 19.000 -0.052 0.000 0.794 129 A HN 0.461 nan 8.150 nan 0.000 0.459 130 Q N -1.617 118.073 119.800 -0.185 0.000 2.319 130 Q HA 0.208 3.814 4.340 -1.224 0.000 0.202 130 Q C 1.119 176.840 176.000 -0.465 0.000 0.896 130 Q CA 0.711 56.312 55.803 -0.336 0.000 0.942 130 Q CB 0.338 28.808 28.738 -0.446 0.000 1.083 130 Q HN 0.962 nan 8.270 nan 0.000 0.510 131 G N 1.032 109.670 108.800 -0.271 0.000 2.141 131 G HA2 -0.245 2.981 3.960 -1.224 0.000 0.242 131 G HA3 -0.245 2.981 3.960 -1.224 0.000 0.242 131 G C -0.303 174.614 174.900 0.029 0.000 0.982 131 G CA -0.071 44.942 45.100 -0.145 0.000 0.662 131 G HN 0.526 nan 8.290 nan 0.000 0.527 132 H N -0.632 118.518 119.070 0.134 0.000 2.646 132 H HA 0.489 4.311 4.556 -1.224 0.000 0.325 132 H C 0.582 175.975 175.328 0.107 0.000 1.075 132 H CA -0.885 55.228 56.048 0.109 0.000 1.421 132 H CB 1.594 31.372 29.762 0.026 0.000 1.461 132 H HN 0.250 nan 8.280 nan 0.000 0.525 133 L N 3.143 124.454 121.223 0.146 0.000 2.490 133 L HA -0.002 3.604 4.340 -1.224 0.000 0.274 133 L C 1.145 177.915 176.870 -0.166 0.000 1.201 133 L CA 0.787 55.471 54.840 -0.259 0.000 0.869 133 L CB 0.624 42.535 42.059 -0.248 0.000 1.123 133 L HN 0.946 nan 8.230 nan 0.000 0.484 134 T N 0.125 114.539 114.554 -0.233 0.000 2.964 134 T HA 0.316 3.932 4.350 -1.224 0.000 0.250 134 T C 0.442 175.064 174.700 -0.130 0.000 0.982 134 T CA -0.081 61.934 62.100 -0.143 0.000 0.959 134 T CB 0.042 68.837 68.868 -0.122 0.000 1.141 134 T HN 0.586 nan 8.240 nan 0.000 0.494 135 E N -0.223 119.872 120.200 -0.175 0.000 2.366 135 E HA 0.631 4.247 4.350 -1.224 0.000 0.278 135 E C -1.895 174.739 176.600 0.056 0.000 0.923 135 E CA -0.873 55.496 56.400 -0.052 0.000 0.761 135 E CB 2.434 32.094 29.700 -0.067 0.000 1.231 135 E HN 0.302 nan 8.360 nan 0.000 0.443 136 I N 1.889 122.556 120.570 0.161 0.000 2.474 136 I HA 0.502 3.937 4.170 -1.224 0.000 0.294 136 I C 0.172 176.366 176.117 0.128 0.000 1.005 136 I CA -0.621 60.799 61.300 0.200 0.000 1.113 136 I CB 2.094 40.186 38.000 0.153 0.000 1.289 136 I HN 0.521 nan 8.210 nan 0.000 0.436 137 G N 6.814 115.601 108.800 -0.021 0.000 2.416 137 G HA2 0.740 3.966 3.960 -1.224 0.000 0.324 137 G HA3 0.740 3.966 3.960 -1.224 0.000 0.324 137 G C -0.836 173.780 174.900 -0.473 0.000 1.194 137 G CA -0.369 44.435 45.100 -0.492 0.000 0.922 137 G HN 0.478 nan 8.290 nan 0.000 0.467 138 I N 2.145 122.393 120.570 -0.537 0.000 2.420 138 I HA 0.446 3.882 4.170 -1.224 0.000 0.282 138 I C 0.191 175.846 176.117 -0.770 0.000 1.019 138 I CA -0.757 60.132 61.300 -0.684 0.000 1.130 138 I CB 1.975 39.513 38.000 -0.771 0.000 1.262 138 I HN 0.527 nan 8.210 nan 0.000 0.454 139 A N 7.170 129.570 122.820 -0.700 0.000 2.277 139 A HA 0.690 4.275 4.320 -1.224 0.000 0.318 139 A C -0.802 176.462 177.584 -0.533 0.000 1.339 139 A CA -0.331 51.376 52.037 -0.550 0.000 0.875 139 A CB 0.065 18.826 19.000 -0.398 0.000 1.158 139 A HN 0.491 nan 8.150 nan 0.000 0.514 140 F N 1.889 121.677 119.950 -0.271 0.000 2.427 140 F HA 0.434 4.225 4.527 -1.226 0.000 0.352 140 F C 1.196 176.871 175.800 -0.209 0.000 1.100 140 F CA -0.019 57.846 58.000 -0.225 0.000 1.191 140 F CB 0.953 39.873 39.000 -0.134 0.000 1.128 140 F HN 0.469 nan 8.300 nan 0.000 0.533 141 R N 2.713 123.228 120.500 0.025 0.000 2.335 141 R HA 0.376 3.982 4.340 -1.224 0.000 0.302 141 R C -0.230 176.126 176.300 0.093 0.000 1.147 141 R CA -0.323 55.725 56.100 -0.087 0.000 1.111 141 R CB 0.642 30.833 30.300 -0.181 0.000 1.122 141 R HN 0.848 nan 8.270 nan 0.000 0.557 142 G N 1.441 110.297 108.800 0.093 0.000 2.507 142 G HA2 0.360 3.586 3.960 -1.224 0.000 0.271 142 G HA3 0.360 3.586 3.960 -1.224 0.000 0.271 142 G C -0.307 174.714 174.900 0.203 0.000 1.189 142 G CA -0.095 45.104 45.100 0.165 0.000 0.859 142 G HN 0.552 nan 8.290 nan 0.000 0.542 143 T N -2.598 112.145 114.554 0.315 0.000 2.906 143 T HA 0.518 4.134 4.350 -1.224 0.000 0.295 143 T C 1.207 176.103 174.700 0.327 0.000 1.075 143 T CA 0.121 62.389 62.100 0.280 0.000 1.005 143 T CB 1.668 70.686 68.868 0.250 0.000 1.136 143 T HN 0.650 nan 8.240 nan 0.000 0.498 144 S N 0.091 115.952 115.700 0.269 0.000 2.470 144 S HA 0.545 4.281 4.470 -1.224 0.000 0.225 144 S C 1.327 176.048 174.600 0.202 0.000 1.006 144 S CA 0.275 58.646 58.200 0.285 0.000 0.934 144 S CB -0.598 62.730 63.200 0.214 0.000 0.778 144 S HN 1.791 nan 8.310 nan 0.000 0.517 145 G N 1.011 109.894 108.800 0.138 0.000 2.302 145 G HA2 0.260 3.485 3.960 -1.224 0.000 0.264 145 G HA3 0.260 3.485 3.960 -1.224 0.000 0.264 145 G C -3.353 171.570 174.900 0.038 0.000 1.335 145 G CA -0.964 44.160 45.100 0.040 0.000 0.982 145 G HN 0.121 nan 8.290 nan 0.000 0.473 146 P HA 0.238 nan 4.420 nan 0.000 0.260 146 P C 1.035 178.348 177.300 0.022 0.000 1.185 146 P CA 0.087 63.193 63.100 0.010 0.000 0.763 146 P CB 0.505 32.199 31.700 -0.009 0.000 0.776 147 R N 2.533 123.053 120.500 0.033 0.000 2.119 147 R HA -0.246 3.360 4.340 -1.224 0.000 0.246 147 R C 1.471 177.779 176.300 0.013 0.000 1.146 147 R CA 1.810 57.929 56.100 0.032 0.000 0.962 147 R CB -0.252 30.067 30.300 0.032 0.000 0.863 147 R HN 0.535 nan 8.270 nan 0.000 0.442 148 E N 0.084 120.286 120.200 0.004 0.000 2.267 148 E HA -0.138 3.478 4.350 -1.224 0.000 0.197 148 E C 1.317 177.911 176.600 -0.010 0.000 0.998 148 E CA 0.865 57.263 56.400 -0.005 0.000 0.830 148 E CB -0.114 29.582 29.700 -0.008 0.000 0.751 148 E HN 0.314 nan 8.360 nan 0.000 0.491 149 N N -0.057 118.638 118.700 -0.009 0.000 2.494 149 N HA -0.034 3.972 4.740 -1.224 0.000 0.182 149 N C 1.175 176.674 175.510 -0.018 0.000 1.076 149 N CA 0.503 53.543 53.050 -0.017 0.000 0.908 149 N CB 0.081 38.555 38.487 -0.023 0.000 0.967 149 N HN 0.253 nan 8.380 nan 0.000 0.449 150 L N 0.866 122.082 121.223 -0.011 0.000 2.552 150 L HA 0.079 3.684 4.340 -1.224 0.000 0.227 150 L C 1.388 178.241 176.870 -0.028 0.000 1.146 150 L CA 0.514 55.344 54.840 -0.016 0.000 0.858 150 L CB -0.112 41.943 42.059 -0.006 0.000 0.969 150 L HN 0.188 nan 8.230 nan 0.000 0.451 151 I N -3.664 116.892 120.570 -0.024 0.000 4.102 151 I HA 0.096 3.531 4.170 -1.224 0.000 0.325 151 I C 1.181 177.284 176.117 -0.023 0.000 1.471 151 I CA 0.255 61.540 61.300 -0.026 0.000 1.133 151 I CB -0.261 37.725 38.000 -0.022 0.000 1.184 151 I HN 0.107 nan 8.210 nan 0.000 0.451 152 L N 0.792 122.001 121.223 -0.024 0.000 2.492 152 L HA 0.239 3.845 4.340 -1.224 0.000 0.223 152 L C 0.180 177.035 176.870 -0.025 0.000 1.132 152 L CA 0.809 55.635 54.840 -0.023 0.000 0.850 152 L CB -0.235 41.809 42.059 -0.025 0.000 0.966 152 L HN 0.253 nan 8.230 nan 0.000 0.454 153 D N -1.705 118.679 120.400 -0.027 0.000 2.636 153 D HA 0.225 4.131 4.640 -1.224 0.000 0.275 153 D C -0.451 175.833 176.300 -0.027 0.000 1.130 153 D CA -0.312 53.673 54.000 -0.026 0.000 1.031 153 D CB 1.439 42.222 40.800 -0.029 0.000 1.451 153 D HN -0.147 nan 8.370 nan 0.000 0.505 154 S N -0.083 115.603 115.700 -0.023 0.000 2.572 154 S HA 0.023 3.759 4.470 -1.224 0.000 0.279 154 S C 1.269 175.849 174.600 -0.033 0.000 1.341 154 S CA -0.490 57.696 58.200 -0.024 0.000 1.043 154 S CB 0.752 63.943 63.200 -0.015 0.000 0.887 154 S HN 0.474 nan 8.310 nan 0.000 0.516 155 I N 3.285 123.827 120.570 -0.046 0.000 2.264 155 I HA 0.005 3.441 4.170 -1.224 0.000 0.248 155 I C 2.189 178.273 176.117 -0.055 0.000 1.111 155 I CA 1.984 63.240 61.300 -0.073 0.000 1.382 155 I CB -1.193 36.737 38.000 -0.117 0.000 1.060 155 I HN 0.936 nan 8.210 nan 0.000 0.418 156 G N -0.368 108.416 108.800 -0.027 0.000 2.418 156 G HA2 -0.259 2.967 3.960 -1.224 0.000 0.217 156 G HA3 -0.259 2.967 3.960 -1.224 0.000 0.217 156 G C 1.415 176.323 174.900 0.013 0.000 1.158 156 G CA 0.977 46.082 45.100 0.008 0.000 0.771 156 G HN 0.369 nan 8.290 nan 0.000 0.545 157 D N 0.167 120.565 120.400 -0.004 0.000 2.117 157 D HA -0.083 3.822 4.640 -1.224 0.000 0.197 157 D C 2.766 179.050 176.300 -0.027 0.000 0.987 157 D CA 0.611 54.602 54.000 -0.014 0.000 0.829 157 D CB -0.425 40.362 40.800 -0.022 0.000 0.961 157 D HN 0.190 nan 8.370 nan 0.000 0.460 158 V N 1.095 120.991 119.914 -0.029 0.000 2.295 158 V HA -0.226 3.160 4.120 -1.224 0.000 0.246 158 V C 2.515 178.595 176.094 -0.024 0.000 1.049 158 V CA 1.184 63.462 62.300 -0.036 0.000 1.024 158 V CB -0.340 31.460 31.823 -0.038 0.000 0.648 158 V HN 0.179 nan 8.190 nan 0.000 0.447 159 I N 0.354 120.929 120.570 0.008 0.000 2.179 159 I HA -0.263 3.172 4.170 -1.224 0.000 0.242 159 I C 2.411 178.560 176.117 0.054 0.000 1.088 159 I CA 2.114 63.456 61.300 0.070 0.000 1.357 159 I CB -0.531 37.557 38.000 0.148 0.000 1.051 159 I HN 0.396 nan 8.210 nan 0.000 0.409 160 N N 0.961 119.693 118.700 0.052 0.000 2.104 160 N HA -0.226 3.779 4.740 -1.224 0.000 0.190 160 N C 1.443 176.920 175.510 -0.055 0.000 1.024 160 N CA 1.799 54.888 53.050 0.064 0.000 0.853 160 N CB -0.033 38.483 38.487 0.050 0.000 1.008 160 N HN 0.207 nan 8.380 nan 0.000 0.424 161 D N -0.141 120.198 120.400 -0.101 0.000 2.149 161 D HA -0.062 3.844 4.640 -1.224 0.000 0.201 161 D C 2.005 178.160 176.300 -0.240 0.000 0.972 161 D CA 0.469 54.368 54.000 -0.169 0.000 0.835 161 D CB -0.267 40.452 40.800 -0.134 0.000 0.966 161 D HN 0.307 nan 8.370 nan 0.000 0.476 162 L N 0.334 121.413 121.223 -0.240 0.000 1.989 162 L HA -0.172 3.433 4.340 -1.224 0.000 0.211 162 L C 2.559 178.904 176.870 -0.876 0.000 1.071 162 L CA 0.869 55.436 54.840 -0.455 0.000 0.749 162 L CB -0.435 41.471 42.059 -0.254 0.000 0.890 162 L HN 0.076 nan 8.230 nan 0.000 0.431 163 L N -0.412 120.523 121.223 -0.481 0.000 2.043 163 L HA -0.254 3.352 4.340 -1.224 0.000 0.212 163 L C 2.757 179.548 176.870 -0.132 0.000 1.075 163 L CA 1.430 56.106 54.840 -0.272 0.000 0.752 163 L CB -0.678 41.481 42.059 0.167 0.000 0.891 163 L HN 0.293 nan 8.230 nan 0.000 0.432 164 A N -0.611 122.106 122.820 -0.173 0.000 2.066 164 A HA 0.017 3.602 4.320 -1.224 0.000 0.218 164 A C 2.300 179.774 177.584 -0.184 0.000 1.157 164 A CA 1.361 53.245 52.037 -0.255 0.000 0.670 164 A CB -0.411 18.276 19.000 -0.522 0.000 0.804 164 A HN 0.414 nan 8.150 nan 0.000 0.453 165 A N -1.632 121.026 122.820 -0.271 0.000 2.195 165 A HA 0.350 3.936 4.320 -1.224 0.000 0.210 165 A C 1.486 179.043 177.584 -0.045 0.000 1.165 165 A CA 0.275 52.185 52.037 -0.213 0.000 0.806 165 A CB -0.481 18.333 19.000 -0.310 0.000 0.847 165 A HN 0.359 nan 8.150 nan 0.000 0.482 166 F N 0.343 120.337 119.950 0.074 0.000 2.234 166 F HA 0.032 3.822 4.527 -1.228 0.000 0.299 166 F C 2.401 178.335 175.800 0.222 0.000 1.087 166 F CA 0.643 58.782 58.000 0.231 0.000 1.340 166 F CB -1.071 38.046 39.000 0.194 0.000 1.031 166 F HN 0.272 nan 8.300 nan 0.000 0.500 167 G N -0.294 108.690 108.800 0.307 0.000 2.447 167 G HA2 -0.017 3.209 3.960 -1.224 0.000 0.211 167 G HA3 -0.017 3.209 3.960 -1.224 0.000 0.211 167 G C -1.714 173.286 174.900 0.167 0.000 1.184 167 G CA 0.102 45.329 45.100 0.212 0.000 0.813 167 G HN 0.165 nan 8.290 nan 0.000 0.540 168 P HA 0.152 nan 4.420 nan 0.000 0.265 168 P C -0.043 177.334 177.300 0.129 0.000 1.187 168 P CA 0.300 63.457 63.100 0.096 0.000 0.766 168 P CB 0.368 32.097 31.700 0.049 0.000 0.820 169 K N 1.441 121.900 120.400 0.099 0.000 3.020 169 K HA -0.276 3.310 4.320 -1.224 0.000 0.266 169 K C -0.227 176.453 176.600 0.134 0.000 1.067 169 K CA 0.859 57.209 56.287 0.104 0.000 0.780 169 K CB -1.698 30.865 32.500 0.104 0.000 1.220 169 K HN 0.570 nan 8.250 nan 0.000 0.483 170 D N -2.188 118.292 120.400 0.132 0.000 2.772 170 D HA -0.247 3.659 4.640 -1.224 0.000 0.233 170 D C 0.592 176.985 176.300 0.155 0.000 1.143 170 D CA 1.414 55.483 54.000 0.115 0.000 0.700 170 D CB -1.388 39.450 40.800 0.062 0.000 1.076 170 D HN 0.606 nan 8.370 nan 0.000 0.430 171 Y N 0.421 120.801 120.300 0.133 0.000 2.097 171 Y HA -0.169 3.646 4.550 -1.225 0.000 0.282 171 Y C 2.235 178.265 175.900 0.216 0.000 1.152 171 Y CA 2.813 61.031 58.100 0.196 0.000 1.136 171 Y CB -0.407 38.194 38.460 0.235 0.000 0.975 171 Y HN 0.148 nan 8.280 nan 0.000 0.498 172 A N 0.540 123.450 122.820 0.150 0.000 1.877 172 A HA -0.215 3.371 4.320 -1.224 0.000 0.216 172 A C 2.329 179.864 177.584 -0.083 0.000 1.186 172 A CA 1.930 53.940 52.037 -0.045 0.000 0.620 172 A CB -0.881 18.124 19.000 0.008 0.000 0.822 172 A HN 0.547 nan 8.150 nan 0.000 0.443 173 K N -0.520 119.867 120.400 -0.022 0.000 2.074 173 K HA -0.204 3.382 4.320 -1.224 0.000 0.209 173 K C 1.013 177.587 176.600 -0.043 0.000 1.048 173 K CA 1.832 58.101 56.287 -0.030 0.000 0.926 173 K CB -0.183 32.314 32.500 -0.004 0.000 0.713 173 K HN 0.416 nan 8.250 nan 0.000 0.444 174 N N -0.268 118.399 118.700 -0.056 0.000 2.398 174 N HA -0.064 3.941 4.740 -1.224 0.000 0.188 174 N C 0.980 176.402 175.510 -0.146 0.000 1.122 174 N CA 0.198 53.197 53.050 -0.085 0.000 0.866 174 N CB -0.123 38.317 38.487 -0.078 0.000 0.970 174 N HN 0.287 nan 8.380 nan 0.000 0.462 175 Y N 1.416 121.528 120.300 -0.313 0.000 2.069 175 Y HA -0.293 3.523 4.550 -1.223 0.000 0.278 175 Y C 2.033 177.720 175.900 -0.355 0.000 1.175 175 Y CA 1.628 59.497 58.100 -0.384 0.000 1.134 175 Y CB -0.164 38.072 38.460 -0.373 0.000 0.965 175 Y HN -0.143 nan 8.280 nan 0.000 0.498 176 V N 0.019 119.928 119.914 -0.008 0.000 2.427 176 V HA -0.251 3.135 4.120 -1.224 0.000 0.248 176 V C 2.586 178.725 176.094 0.074 0.000 1.051 176 V CA 1.750 64.053 62.300 0.005 0.000 1.048 176 V CB -1.485 30.305 31.823 -0.055 0.000 0.666 176 V HN 0.676 nan 8.190 nan 0.000 0.456 177 G N -0.211 108.634 108.800 0.076 0.000 2.440 177 G HA2 -0.231 2.995 3.960 -1.224 0.000 0.218 177 G HA3 -0.231 2.995 3.960 -1.224 0.000 0.218 177 G C 1.491 176.309 174.900 -0.138 0.000 1.154 177 G CA 0.804 45.934 45.100 0.049 0.000 0.767 177 G HN 0.499 nan 8.290 nan 0.000 0.552 178 E N 0.674 120.630 120.200 -0.408 0.000 2.076 178 E HA 0.062 3.678 4.350 -1.224 0.000 0.190 178 E C 2.865 179.017 176.600 -0.746 0.000 0.979 178 E CA 0.962 56.981 56.400 -0.636 0.000 0.807 178 E CB -0.456 28.614 29.700 -1.049 0.000 0.761 178 E HN 0.376 nan 8.360 nan 0.000 0.454 179 A N 0.060 122.324 122.820 -0.925 0.000 1.898 179 A HA -0.005 3.581 4.320 -1.224 0.000 0.214 179 A C 1.064 178.143 177.584 -0.841 0.000 1.183 179 A CA 0.851 52.304 52.037 -0.973 0.000 0.622 179 A CB -0.109 18.155 19.000 -1.227 0.000 0.824 179 A HN 0.168 nan 8.150 nan 0.000 0.444 180 F N -1.104 118.820 119.950 -0.043 0.000 2.815 180 F HA 0.324 4.116 4.527 -1.226 0.000 0.335 180 F C 1.817 177.696 175.800 0.133 0.000 1.179 180 F CA -0.487 57.542 58.000 0.048 0.000 1.204 180 F CB -0.115 38.913 39.000 0.047 0.000 1.050 180 F HN 0.170 nan 8.300 nan 0.000 0.510 181 G N 0.641 109.622 108.800 0.301 0.000 2.440 181 G HA2 -0.267 2.958 3.960 -1.224 0.000 0.218 181 G HA3 -0.267 2.958 3.960 -1.224 0.000 0.218 181 G C 1.690 176.877 174.900 0.477 0.000 1.154 181 G CA 1.061 46.448 45.100 0.478 0.000 0.767 181 G HN 0.262 nan 8.290 nan 0.000 0.552 182 N N 0.104 118.986 118.700 0.303 0.000 2.207 182 N HA -0.038 3.968 4.740 -1.224 0.000 0.182 182 N C 2.142 177.813 175.510 0.268 0.000 1.020 182 N CA 0.863 54.077 53.050 0.274 0.000 0.858 182 N CB -0.261 38.364 38.487 0.229 0.000 0.991 182 N HN 0.259 nan 8.380 nan 0.000 0.427 183 L N 1.872 123.246 121.223 0.251 0.000 2.042 183 L HA -0.065 3.541 4.340 -1.224 0.000 0.210 183 L C 2.017 178.831 176.870 -0.093 0.000 1.076 183 L CA 1.371 56.218 54.840 0.012 0.000 0.749 183 L CB -0.679 41.270 42.059 -0.183 0.000 0.893 183 L HN 0.091 nan 8.230 nan 0.000 0.432 184 L N -0.383 120.790 121.223 -0.083 0.000 2.201 184 L HA -0.168 3.437 4.340 -1.224 0.000 0.212 184 L C 2.204 179.042 176.870 -0.055 0.000 1.105 184 L CA 0.703 55.361 54.840 -0.304 0.000 0.775 184 L CB -0.769 40.702 42.059 -0.981 0.000 0.913 184 L HN 0.387 nan 8.230 nan 0.000 0.440 185 N N 0.029 118.832 118.700 0.171 0.000 2.188 185 N HA -0.162 3.843 4.740 -1.224 0.000 0.184 185 N C 1.415 176.977 175.510 0.087 0.000 1.018 185 N CA 1.190 54.373 53.050 0.222 0.000 0.858 185 N CB -0.182 38.459 38.487 0.257 0.000 0.989 185 N HN 0.304 nan 8.380 nan 0.000 0.426 186 D N 0.293 120.738 120.400 0.076 0.000 2.117 186 D HA -0.064 3.842 4.640 -1.224 0.000 0.198 186 D C 2.062 178.371 176.300 0.016 0.000 0.982 186 D CA 0.522 54.555 54.000 0.056 0.000 0.828 186 D CB -0.176 40.677 40.800 0.089 0.000 0.967 186 D HN 0.015 nan 8.370 nan 0.000 0.464 187 V N 0.936 120.828 119.914 -0.038 0.000 2.343 187 V HA -0.212 3.173 4.120 -1.224 0.000 0.247 187 V C 2.728 178.817 176.094 -0.008 0.000 1.051 187 V CA 0.998 63.302 62.300 0.007 0.000 1.036 187 V CB -0.556 31.251 31.823 -0.027 0.000 0.654 187 V HN 0.044 nan 8.190 nan 0.000 0.451 188 V N 0.489 120.305 119.914 -0.163 0.000 2.282 188 V HA -0.321 3.065 4.120 -1.224 0.000 0.249 188 V C 2.727 178.537 176.094 -0.474 0.000 1.057 188 V CA 2.331 64.221 62.300 -0.683 0.000 1.032 188 V CB -1.211 30.221 31.823 -0.652 0.000 0.645 188 V HN 0.577 nan 8.190 nan 0.000 0.447 189 A N -0.830 121.882 122.820 -0.180 0.000 1.930 189 A HA -0.211 3.375 4.320 -1.224 0.000 0.217 189 A C 2.103 179.679 177.584 -0.014 0.000 1.175 189 A CA 1.901 53.886 52.037 -0.088 0.000 0.627 189 A CB -0.672 18.327 19.000 -0.001 0.000 0.815 189 A HN 0.542 nan 8.150 nan 0.000 0.443 190 F N 1.041 120.930 119.950 -0.102 0.000 2.134 190 F HA -0.030 3.763 4.527 -1.223 0.000 0.299 190 F C 2.478 178.246 175.800 -0.053 0.000 1.097 190 F CA 1.112 59.080 58.000 -0.053 0.000 1.264 190 F CB -0.450 38.531 39.000 -0.032 0.000 1.001 190 F HN 0.247 nan 8.300 nan 0.000 0.479 191 A N 0.488 123.259 122.820 -0.081 0.000 1.883 191 A HA -0.226 3.360 4.320 -1.224 0.000 0.217 191 A C 2.263 179.769 177.584 -0.130 0.000 1.186 191 A CA 2.037 54.008 52.037 -0.110 0.000 0.624 191 A CB -0.771 18.279 19.000 0.082 0.000 0.822 191 A HN 0.462 nan 8.150 nan 0.000 0.444 192 K N -0.376 119.930 120.400 -0.157 0.000 2.097 192 K HA -0.044 3.542 4.320 -1.224 0.000 0.206 192 K C 2.180 178.720 176.600 -0.099 0.000 1.049 192 K CA 1.053 57.287 56.287 -0.088 0.000 0.933 192 K CB -0.326 32.108 32.500 -0.111 0.000 0.717 192 K HN 0.445 nan 8.250 nan 0.000 0.442 193 A N 1.560 124.298 122.820 -0.136 0.000 2.070 193 A HA -0.131 3.454 4.320 -1.224 0.000 0.220 193 A C 1.404 178.885 177.584 -0.172 0.000 1.159 193 A CA 1.319 53.279 52.037 -0.130 0.000 0.656 193 A CB -0.196 18.738 19.000 -0.109 0.000 0.800 193 A HN 0.270 nan 8.150 nan 0.000 0.453 194 N N -0.996 117.555 118.700 -0.250 0.000 2.214 194 N HA 0.181 4.187 4.740 -1.224 0.000 0.214 194 N C 0.891 176.314 175.510 -0.144 0.000 1.132 194 N CA 0.736 53.649 53.050 -0.230 0.000 0.856 194 N CB 0.601 38.859 38.487 -0.381 0.000 1.020 194 N HN 0.553 nan 8.380 nan 0.000 0.509 195 G N 1.151 109.890 108.800 -0.102 0.000 2.179 195 G HA2 -0.261 2.964 3.960 -1.224 0.000 0.257 195 G HA3 -0.261 2.964 3.960 -1.224 0.000 0.257 195 G C -0.222 174.657 174.900 -0.034 0.000 1.010 195 G CA 0.159 45.222 45.100 -0.061 0.000 0.736 195 G HN 0.157 nan 8.290 nan 0.000 0.513 196 L N 0.829 122.043 121.223 -0.015 0.000 2.352 196 L HA 0.830 4.435 4.340 -1.224 0.000 0.269 196 L C 0.942 177.885 176.870 0.122 0.000 1.034 196 L CA 0.112 54.969 54.840 0.028 0.000 0.806 196 L CB 1.809 43.887 42.059 0.032 0.000 1.244 196 L HN 0.518 nan 8.230 nan 0.000 0.447 197 S N -0.586 115.130 115.700 0.027 0.000 2.806 197 S HA 0.609 4.345 4.470 -1.224 0.000 0.315 197 S C 0.931 175.258 174.600 -0.456 0.000 1.127 197 S CA -0.120 57.979 58.200 -0.169 0.000 0.918 197 S CB 0.952 64.048 63.200 -0.174 0.000 1.240 197 S HN 0.684 nan 8.310 nan 0.000 0.552 198 G N 0.793 109.005 108.800 -0.980 0.000 2.448 198 G HA2 -0.194 3.032 3.960 -1.224 0.000 0.219 198 G HA3 -0.194 3.032 3.960 -1.224 0.000 0.219 198 G C 1.256 176.015 174.900 -0.235 0.000 1.127 198 G CA 0.975 45.614 45.100 -0.769 0.000 0.766 198 G HN 0.922 nan 8.290 nan 0.000 0.552 199 K N 0.226 120.531 120.400 -0.159 0.000 2.360 199 K HA -0.024 3.562 4.320 -1.224 0.000 0.201 199 K C 0.876 177.498 176.600 0.036 0.000 1.046 199 K CA 1.456 57.737 56.287 -0.010 0.000 0.945 199 K CB 0.048 32.550 32.500 0.004 0.000 0.750 199 K HN 0.103 nan 8.250 nan 0.000 0.464 200 D N 1.240 121.638 120.400 -0.004 0.000 2.328 200 D HA 0.051 3.956 4.640 -1.224 0.000 0.221 200 D C -0.294 176.035 176.300 0.048 0.000 1.072 200 D CA 0.169 54.185 54.000 0.026 0.000 0.850 200 D CB 0.589 41.397 40.800 0.014 0.000 0.922 200 D HN 0.007 nan 8.370 nan 0.000 0.516 201 V N 1.876 121.813 119.914 0.039 0.000 2.435 201 V HA 0.287 3.673 4.120 -1.224 0.000 0.290 201 V C -0.217 175.828 176.094 -0.082 0.000 1.030 201 V CA -0.930 61.392 62.300 0.035 0.000 0.881 201 V CB 2.186 34.102 31.823 0.156 0.000 0.983 201 V HN -0.065 nan 8.190 nan 0.000 0.445 202 L N 6.588 127.734 121.223 -0.129 0.000 2.313 202 L HA 0.757 4.363 4.340 -1.224 0.000 0.283 202 L C -0.605 176.046 176.870 -0.364 0.000 1.013 202 L CA -0.002 54.696 54.840 -0.238 0.000 0.816 202 L CB 1.811 43.768 42.059 -0.169 0.000 1.236 202 L HN 0.439 nan 8.230 nan 0.000 0.419 203 V N 4.428 124.086 119.914 -0.427 0.000 2.487 203 V HA 0.824 4.210 4.120 -1.224 0.000 0.298 203 V C -0.101 175.827 176.094 -0.276 0.000 1.028 203 V CA -0.246 61.815 62.300 -0.398 0.000 0.860 203 V CB 1.234 32.824 31.823 -0.389 0.000 0.991 203 V HN 0.910 nan 8.190 nan 0.000 0.427 204 S N 2.300 117.832 115.700 -0.280 0.000 2.776 204 S HA 0.997 4.733 4.470 -1.224 0.000 0.292 204 S C -0.438 174.090 174.600 -0.120 0.000 1.187 204 S CA 0.171 58.258 58.200 -0.187 0.000 0.834 204 S CB 2.067 65.136 63.200 -0.218 0.000 1.199 204 S HN 1.740 nan 8.310 nan 0.000 0.514 205 G N 0.615 109.397 108.800 -0.030 0.000 2.350 205 G HA2 0.328 3.554 3.960 -1.224 0.000 0.304 205 G HA3 0.328 3.554 3.960 -1.224 0.000 0.304 205 G C -2.099 172.866 174.900 0.108 0.000 1.421 205 G CA -0.687 44.413 45.100 0.001 0.000 0.934 205 G HN 0.877 nan 8.290 nan 0.000 0.632 206 H N 0.264 119.297 119.070 -0.061 0.000 2.637 206 H HA 0.755 4.574 4.556 -1.230 0.000 0.363 206 H C 0.639 175.973 175.328 0.010 0.000 1.131 206 H CA 0.876 56.900 56.048 -0.039 0.000 1.183 206 H CB 1.992 31.721 29.762 -0.054 0.000 1.637 206 H HN 1.692 nan 8.280 nan 0.000 0.531 207 S N 2.321 117.781 115.700 -0.400 0.000 4.120 207 S HA -0.273 3.463 4.470 -1.224 0.000 0.625 207 S C 1.576 176.161 174.600 -0.025 0.000 1.925 207 S CA 1.043 59.176 58.200 -0.111 0.000 4.213 207 S CB -1.320 61.987 63.200 0.180 0.000 0.206 207 S HN 0.656 nan 8.310 nan 0.000 0.523 208 L N 1.864 123.111 121.223 0.040 0.000 2.201 208 L HA 0.074 3.680 4.340 -1.224 0.000 0.212 208 L C 2.729 179.494 176.870 -0.174 0.000 1.105 208 L CA 1.460 56.238 54.840 -0.104 0.000 0.775 208 L CB -1.071 40.978 42.059 -0.016 0.000 0.913 208 L HN 0.751 nan 8.230 nan 0.000 0.440 209 G N 0.047 108.813 108.800 -0.056 0.000 2.432 209 G HA2 -0.168 3.058 3.960 -1.224 0.000 0.219 209 G HA3 -0.168 3.058 3.960 -1.224 0.000 0.219 209 G C 1.567 176.452 174.900 -0.024 0.000 1.135 209 G CA 0.730 45.820 45.100 -0.017 0.000 0.767 209 G HN 0.479 nan 8.290 nan 0.000 0.550 210 G N 0.674 109.437 108.800 -0.061 0.000 2.403 210 G HA2 -0.085 3.141 3.960 -1.224 0.000 0.216 210 G HA3 -0.085 3.141 3.960 -1.224 0.000 0.216 210 G C 1.716 176.544 174.900 -0.120 0.000 1.154 210 G CA 0.662 45.723 45.100 -0.065 0.000 0.784 210 G HN 0.436 nan 8.290 nan 0.000 0.538 211 L N 0.686 121.784 121.223 -0.208 0.000 2.042 211 L HA -0.005 3.601 4.340 -1.224 0.000 0.210 211 L C 3.054 179.712 176.870 -0.353 0.000 1.076 211 L CA 1.825 56.475 54.840 -0.316 0.000 0.749 211 L CB -0.221 41.536 42.059 -0.504 0.000 0.893 211 L HN 0.252 nan 8.230 nan 0.000 0.432 212 A N -0.761 121.810 122.820 -0.415 0.000 1.930 212 A HA -0.125 3.461 4.320 -1.224 0.000 0.217 212 A C 2.186 179.562 177.584 -0.347 0.000 1.175 212 A CA 1.642 53.369 52.037 -0.516 0.000 0.627 212 A CB -0.888 17.666 19.000 -0.744 0.000 0.815 212 A HN 0.347 nan 8.150 nan 0.000 0.443 213 V N 1.138 121.019 119.914 -0.055 0.000 2.287 213 V HA -0.303 3.083 4.120 -1.224 0.000 0.248 213 V C 2.310 178.416 176.094 0.019 0.000 1.053 213 V CA 2.199 64.578 62.300 0.132 0.000 1.027 213 V CB -0.899 31.000 31.823 0.127 0.000 0.646 213 V HN 0.599 nan 8.190 nan 0.000 0.447 214 N N -0.218 118.439 118.700 -0.072 0.000 2.188 214 N HA -0.153 3.852 4.740 -1.224 0.000 0.184 214 N C 2.184 177.622 175.510 -0.121 0.000 1.018 214 N CA 1.655 54.642 53.050 -0.104 0.000 0.858 214 N CB -0.182 38.249 38.487 -0.093 0.000 0.989 214 N HN 0.493 nan 8.380 nan 0.000 0.426 215 S N 1.508 117.130 115.700 -0.129 0.000 2.353 215 S HA -0.156 3.579 4.470 -1.224 0.000 0.222 215 S C 2.029 176.611 174.600 -0.031 0.000 1.035 215 S CA 1.127 59.271 58.200 -0.093 0.000 1.025 215 S CB -0.211 62.922 63.200 -0.111 0.000 0.902 215 S HN 0.269 nan 8.310 nan 0.000 0.440 216 M N 0.901 120.492 119.600 -0.015 0.000 2.108 216 M HA -0.117 3.629 4.480 -1.224 0.000 0.261 216 M C 2.171 178.504 176.300 0.055 0.000 1.066 216 M CA 1.852 57.232 55.300 0.133 0.000 1.107 216 M CB -0.589 32.142 32.600 0.220 0.000 1.356 216 M HN 0.497 nan 8.290 nan 0.000 0.406 217 A N 0.362 123.010 122.820 -0.287 0.000 1.883 217 A HA -0.238 3.347 4.320 -1.224 0.000 0.217 217 A C 1.724 179.186 177.584 -0.204 0.000 1.186 217 A CA 2.253 53.911 52.037 -0.633 0.000 0.624 217 A CB -1.120 17.362 19.000 -0.865 0.000 0.822 217 A HN 0.582 nan 8.150 nan 0.000 0.444 218 D N -0.166 120.163 120.400 -0.119 0.000 2.182 218 D HA -0.111 3.795 4.640 -1.224 0.000 0.201 218 D C 1.761 178.062 176.300 0.001 0.000 0.986 218 D CA 1.123 55.093 54.000 -0.050 0.000 0.847 218 D CB -0.200 40.575 40.800 -0.043 0.000 0.942 218 D HN 0.497 nan 8.370 nan 0.000 0.467 219 L N 0.552 121.810 121.223 0.059 0.000 2.446 219 L HA -0.000 3.606 4.340 -1.224 0.000 0.219 219 L C 2.305 179.269 176.870 0.157 0.000 1.116 219 L CA 0.336 55.219 54.840 0.072 0.000 0.844 219 L CB -0.163 41.945 42.059 0.082 0.000 0.970 219 L HN -0.022 nan 8.230 nan 0.000 0.457 220 S N -0.122 115.749 115.700 0.284 0.000 2.447 220 S HA -0.090 3.645 4.470 -1.224 0.000 0.233 220 S C 1.982 176.752 174.600 0.283 0.000 1.006 220 S CA 0.900 59.365 58.200 0.441 0.000 0.957 220 S CB -0.625 62.845 63.200 0.450 0.000 0.773 220 S HN 0.414 nan 8.310 nan 0.000 0.507 221 G N 0.644 109.532 108.800 0.146 0.000 2.484 221 G HA2 0.322 3.548 3.960 -1.224 0.000 0.218 221 G HA3 0.322 3.548 3.960 -1.224 0.000 0.218 221 G C 1.107 176.046 174.900 0.064 0.000 1.130 221 G CA 0.502 45.658 45.100 0.094 0.000 0.784 221 G HN 0.673 nan 8.290 nan 0.000 0.543 222 G N -0.767 108.052 108.800 0.032 0.000 2.649 222 G HA2 0.249 3.475 3.960 -1.224 0.000 0.199 222 G HA3 0.249 3.475 3.960 -1.224 0.000 0.199 222 G C 0.666 175.504 174.900 -0.103 0.000 1.085 222 G CA -0.234 44.848 45.100 -0.031 0.000 0.804 222 G HN 0.294 nan 8.290 nan 0.000 0.671 223 K N -0.472 119.808 120.400 -0.200 0.000 2.168 223 K HA 0.317 3.903 4.320 -1.224 0.000 0.239 223 K C -0.121 176.352 176.600 -0.212 0.000 0.999 223 K CA -0.967 54.999 56.287 -0.535 0.000 0.900 223 K CB 1.090 32.790 32.500 -1.334 0.000 1.111 223 K HN 0.171 nan 8.250 nan 0.000 0.452 224 W N 0.075 121.476 121.300 0.168 0.000 5.538 224 W HA -0.216 3.710 4.660 -1.224 0.000 0.377 224 W C 0.746 177.346 176.519 0.136 0.000 1.406 224 W CA 1.191 58.650 57.345 0.190 0.000 0.940 224 W CB -2.562 27.137 29.460 0.398 0.000 2.536 224 W HN 1.136 nan 8.180 nan 0.000 1.504 225 G N -1.355 107.550 108.800 0.175 0.000 2.166 225 G HA2 0.022 3.248 3.960 -1.224 0.000 0.260 225 G HA3 0.022 3.248 3.960 -1.224 0.000 0.260 225 G C 1.298 176.295 174.900 0.162 0.000 0.986 225 G CA 1.431 46.614 45.100 0.139 0.000 0.683 225 G HN 1.802 nan 8.290 nan 0.000 0.527 226 G N -1.395 107.531 108.800 0.210 0.000 2.162 226 G HA2 -0.248 2.978 3.960 -1.224 0.000 0.260 226 G HA3 -0.248 2.978 3.960 -1.224 0.000 0.260 226 G C 0.988 176.009 174.900 0.202 0.000 0.976 226 G CA 1.096 46.316 45.100 0.202 0.000 0.655 226 G HN 1.542 nan 8.290 nan 0.000 0.533 227 F N 0.539 120.512 119.950 0.039 0.000 2.161 227 F HA 0.129 3.921 4.527 -1.224 0.000 0.300 227 F C 1.958 177.631 175.800 -0.211 0.000 1.089 227 F CA 2.053 59.947 58.000 -0.176 0.000 1.282 227 F CB -0.154 38.592 39.000 -0.423 0.000 1.010 227 F HN 0.164 nan 8.300 nan 0.000 0.485 228 F N -0.175 119.943 119.950 0.281 0.000 2.773 228 F HA 0.302 4.095 4.527 -1.222 0.000 0.304 228 F C 2.102 178.039 175.800 0.230 0.000 1.129 228 F CA 0.362 58.479 58.000 0.194 0.000 1.378 228 F CB -1.236 37.938 39.000 0.289 0.000 1.095 228 F HN 0.038 nan 8.300 nan 0.000 0.565 229 A N -0.227 122.764 122.820 0.284 0.000 1.972 229 A HA -0.171 3.415 4.320 -1.224 0.000 0.219 229 A C 1.548 179.267 177.584 0.225 0.000 1.169 229 A CA 1.851 54.035 52.037 0.245 0.000 0.635 229 A CB -0.413 18.671 19.000 0.140 0.000 0.810 229 A HN 0.179 nan 8.150 nan 0.000 0.446 230 D N -0.224 120.253 120.400 0.128 0.000 2.388 230 D HA 0.213 4.119 4.640 -1.224 0.000 0.221 230 D C 0.129 176.503 176.300 0.123 0.000 1.133 230 D CA 0.075 54.133 54.000 0.098 0.000 0.831 230 D CB 0.267 41.063 40.800 -0.006 0.000 0.962 230 D HN 0.242 nan 8.370 nan 0.000 0.502 231 S N 0.579 116.379 115.700 0.166 0.000 2.624 231 S HA 0.248 3.984 4.470 -1.224 0.000 0.263 231 S C 0.428 175.009 174.600 -0.031 0.000 1.287 231 S CA -0.528 57.669 58.200 -0.006 0.000 0.990 231 S CB 0.758 63.892 63.200 -0.111 0.000 0.950 231 S HN 0.138 nan 8.310 nan 0.000 0.561 232 N N 1.150 119.744 118.700 -0.177 0.000 2.424 232 N HA 0.308 4.314 4.740 -1.224 0.000 0.271 232 N C -1.718 173.570 175.510 -0.370 0.000 0.985 232 N CA -0.078 52.966 53.050 -0.010 0.000 0.921 232 N CB 0.961 39.443 38.487 -0.008 0.000 1.149 232 N HN 0.484 nan 8.380 nan 0.000 0.492 233 Y N 1.846 122.118 120.300 -0.046 0.000 2.345 233 Y HA 0.508 4.323 4.550 -1.225 0.000 0.331 233 Y C 0.209 175.937 175.900 -0.287 0.000 0.959 233 Y CA -0.611 57.418 58.100 -0.118 0.000 1.204 233 Y CB 1.401 39.882 38.460 0.034 0.000 1.135 233 Y HN 0.286 nan 8.280 nan 0.000 0.477 234 I N 3.523 123.949 120.570 -0.240 0.000 2.439 234 I HA 0.608 4.044 4.170 -1.224 0.000 0.283 234 I C -0.579 175.277 176.117 -0.435 0.000 1.023 234 I CA -0.779 60.282 61.300 -0.398 0.000 1.100 234 I CB 1.425 39.098 38.000 -0.545 0.000 1.238 234 I HN 0.669 nan 8.210 nan 0.000 0.445 235 A N 6.420 129.016 122.820 -0.373 0.000 2.304 235 A HA 0.749 4.335 4.320 -1.224 0.000 0.323 235 A C -1.421 175.900 177.584 -0.437 0.000 1.195 235 A CA -0.295 51.568 52.037 -0.291 0.000 0.826 235 A CB 0.515 19.458 19.000 -0.095 0.000 1.184 235 A HN 0.571 nan 8.150 nan 0.000 0.496 236 Y N 1.222 121.430 120.300 -0.152 0.000 2.330 236 Y HA 0.462 4.279 4.550 -1.222 0.000 0.336 236 Y C 1.068 176.756 175.900 -0.353 0.000 1.036 236 Y CA 0.280 58.228 58.100 -0.254 0.000 1.125 236 Y CB 1.709 39.984 38.460 -0.309 0.000 1.194 236 Y HN 1.277 nan 8.280 nan 0.000 0.469 237 A N 1.934 124.628 122.820 -0.209 0.000 2.745 237 A HA -0.225 3.361 4.320 -1.224 0.000 0.296 237 A C 0.627 178.261 177.584 0.083 0.000 1.500 237 A CA 0.852 52.829 52.037 -0.099 0.000 0.766 237 A CB -1.818 16.915 19.000 -0.445 0.000 1.030 237 A HN 0.611 nan 8.150 nan 0.000 0.489 238 S N 0.034 115.842 115.700 0.180 0.000 2.565 238 S HA 0.528 4.263 4.470 -1.224 0.000 0.276 238 S C -0.336 174.308 174.600 0.073 0.000 1.326 238 S CA -0.826 57.415 58.200 0.068 0.000 1.045 238 S CB 0.794 64.003 63.200 0.016 0.000 0.918 238 S HN 0.378 nan 8.310 nan 0.000 0.505 239 P HA 0.065 nan 4.420 nan 0.000 0.225 239 P C 0.466 177.730 177.300 -0.060 0.000 1.156 239 P CA 0.633 63.711 63.100 -0.037 0.000 0.787 239 P CB -0.280 31.446 31.700 0.044 0.000 0.802 240 T N -2.849 111.664 114.554 -0.067 0.000 2.942 240 T HA 0.643 4.259 4.350 -1.224 0.000 0.289 240 T C -0.616 174.050 174.700 -0.056 0.000 1.044 240 T CA -0.691 61.372 62.100 -0.062 0.000 1.023 240 T CB 1.775 70.592 68.868 -0.086 0.000 1.123 240 T HN -0.193 nan 8.240 nan 0.000 0.512 241 Q N 1.125 120.897 119.800 -0.047 0.000 2.356 241 Q HA 0.587 4.192 4.340 -1.224 0.000 0.270 241 Q C -0.086 175.893 176.000 -0.034 0.000 1.058 241 Q CA -0.777 55.006 55.803 -0.033 0.000 0.802 241 Q CB 2.006 30.728 28.738 -0.028 0.000 1.303 241 Q HN 0.931 nan 8.270 nan 0.000 0.444 242 S N 0.556 116.232 115.700 -0.040 0.000 2.589 242 S HA 0.111 3.847 4.470 -1.224 0.000 0.265 242 S C 0.408 174.990 174.600 -0.030 0.000 1.342 242 S CA -0.220 57.951 58.200 -0.049 0.000 1.005 242 S CB 0.748 63.899 63.200 -0.082 0.000 0.909 242 S HN 0.532 nan 8.310 nan 0.000 0.555 243 S N 0.938 116.621 115.700 -0.028 0.000 2.607 243 S HA 0.096 3.832 4.470 -1.224 0.000 0.224 243 S C 1.045 175.634 174.600 -0.018 0.000 0.969 243 S CA 0.524 58.714 58.200 -0.017 0.000 0.927 243 S CB -0.647 62.545 63.200 -0.013 0.000 0.772 243 S HN 0.984 nan 8.310 nan 0.000 0.533 244 T N 0.544 115.081 114.554 -0.029 0.000 2.849 244 T HA 0.299 3.914 4.350 -1.224 0.000 0.276 244 T C 0.110 174.804 174.700 -0.009 0.000 0.971 244 T CA -0.527 61.558 62.100 -0.026 0.000 0.949 244 T CB 0.892 69.728 68.868 -0.053 0.000 1.093 244 T HN 0.122 nan 8.240 nan 0.000 0.545 245 D N -1.565 118.835 120.400 0.000 0.000 2.525 245 D HA 0.189 4.095 4.640 -1.224 0.000 0.229 245 D C 0.798 177.120 176.300 0.038 0.000 1.202 245 D CA -0.395 53.614 54.000 0.015 0.000 0.828 245 D CB 0.043 40.845 40.800 0.003 0.000 1.008 245 D HN 0.636 nan 8.370 nan 0.000 0.493 246 K N -0.389 120.041 120.400 0.050 0.000 2.354 246 K HA 0.177 3.763 4.320 -1.224 0.000 0.194 246 K C -0.023 176.756 176.600 0.300 0.000 1.045 246 K CA 0.107 56.475 56.287 0.135 0.000 1.026 246 K CB 1.426 33.947 32.500 0.034 0.000 0.866 246 K HN 0.009 nan 8.250 nan 0.000 0.530 247 V N 2.553 122.578 119.914 0.186 0.000 2.398 247 V HA 0.198 3.584 4.120 -1.224 0.000 0.286 247 V C -0.719 175.505 176.094 0.217 0.000 1.026 247 V CA -0.968 61.450 62.300 0.197 0.000 0.868 247 V CB 1.498 33.350 31.823 0.049 0.000 0.982 247 V HN 0.062 nan 8.190 nan 0.000 0.443 248 L N 5.330 126.679 121.223 0.210 0.000 2.270 248 L HA 0.472 4.077 4.340 -1.224 0.000 0.286 248 L C 0.001 176.901 176.870 0.051 0.000 1.059 248 L CA 0.179 55.121 54.840 0.169 0.000 0.839 248 L CB 0.171 42.330 42.059 0.166 0.000 1.221 248 L HN 0.629 nan 8.230 nan 0.000 0.431 249 N N 3.816 122.589 118.700 0.122 0.000 2.469 249 N HA 0.366 4.371 4.740 -1.224 0.000 0.239 249 N C -1.035 174.632 175.510 0.262 0.000 1.053 249 N CA -0.295 52.857 53.050 0.170 0.000 0.937 249 N CB 1.082 39.710 38.487 0.236 0.000 1.163 249 N HN 0.387 nan 8.380 nan 0.000 0.509 250 V N 1.277 121.213 119.914 0.035 0.000 2.472 250 V HA 0.889 4.275 4.120 -1.224 0.000 0.290 250 V C 0.756 176.625 176.094 -0.375 0.000 1.037 250 V CA -0.550 61.749 62.300 -0.001 0.000 0.908 250 V CB 1.411 33.256 31.823 0.036 0.000 0.985 250 V HN 0.727 nan 8.190 nan 0.000 0.454 251 G N 2.336 110.695 108.800 -0.736 0.000 2.547 251 G HA2 0.491 3.716 3.960 -1.224 0.000 0.291 251 G HA3 0.491 3.716 3.960 -1.224 0.000 0.291 251 G C -2.073 172.474 174.900 -0.589 0.000 1.471 251 G CA -0.659 43.691 45.100 -1.250 0.000 0.798 251 G HN 0.298 nan 8.290 nan 0.000 0.504 252 Y N 0.831 121.008 120.300 -0.204 0.000 2.335 252 Y HA 0.285 4.100 4.550 -1.226 0.000 0.331 252 Y C 1.816 177.832 175.900 0.194 0.000 1.094 252 Y CA -0.207 57.853 58.100 -0.066 0.000 1.253 252 Y CB 1.774 40.115 38.460 -0.199 0.000 1.203 252 Y HN 0.860 nan 8.280 nan 0.000 0.508 253 E N 2.326 122.749 120.200 0.372 0.000 2.130 253 E HA -0.267 3.349 4.350 -1.224 0.000 0.196 253 E C 0.905 177.642 176.600 0.228 0.000 0.998 253 E CA 1.658 58.253 56.400 0.325 0.000 0.806 253 E CB 0.083 29.923 29.700 0.232 0.000 0.738 253 E HN 0.815 nan 8.360 nan 0.000 0.459 254 N N 0.618 119.423 118.700 0.175 0.000 2.268 254 N HA -0.071 3.935 4.740 -1.224 0.000 0.204 254 N C -0.434 175.272 175.510 0.326 0.000 1.124 254 N CA 0.120 53.265 53.050 0.159 0.000 0.838 254 N CB 0.125 38.672 38.487 0.100 0.000 0.994 254 N HN 0.005 nan 8.380 nan 0.000 0.489 255 D N 2.446 123.053 120.400 0.344 0.000 2.339 255 D HA 0.149 4.054 4.640 -1.224 0.000 0.241 255 D C -1.423 175.049 176.300 0.286 0.000 1.183 255 D CA -2.150 52.036 54.000 0.311 0.000 0.859 255 D CB 1.729 42.803 40.800 0.457 0.000 1.067 255 D HN 0.042 nan 8.370 nan 0.000 0.484 256 P HA -0.113 nan 4.420 nan 0.000 0.226 256 P C 1.335 178.632 177.300 -0.005 0.000 1.153 256 P CA 0.331 63.434 63.100 0.005 0.000 0.777 256 P CB 0.502 31.930 31.700 -0.452 0.000 0.794 257 V N -0.659 119.051 119.914 -0.340 0.000 2.548 257 V HA -0.092 3.294 4.120 -1.224 0.000 0.249 257 V C 1.443 177.528 176.094 -0.015 0.000 1.055 257 V CA 0.602 62.675 62.300 -0.377 0.000 1.065 257 V CB -1.300 29.946 31.823 -0.961 0.000 0.681 257 V HN -0.008 nan 8.190 nan 0.000 0.462 258 F N 2.290 122.257 119.950 0.028 0.000 2.506 258 F HA 0.386 4.178 4.527 -1.225 0.000 0.371 258 F C 1.236 177.119 175.800 0.139 0.000 1.078 258 F CA -0.850 57.212 58.000 0.103 0.000 1.195 258 F CB -0.554 38.571 39.000 0.208 0.000 1.099 258 F HN 0.144 nan 8.300 nan 0.000 0.548 259 R N 2.449 122.728 120.500 -0.369 0.000 3.872 259 R HA -0.222 3.384 4.340 -1.224 0.000 0.341 259 R C 1.126 177.141 176.300 -0.476 0.000 1.172 259 R CA 0.573 56.419 56.100 -0.423 0.000 0.901 259 R CB -2.137 27.845 30.300 -0.530 0.000 1.422 259 R HN 0.688 nan 8.270 nan 0.000 0.523 260 A N 0.481 122.953 122.820 -0.580 0.000 2.019 260 A HA 0.033 3.619 4.320 -1.224 0.000 0.219 260 A C 1.010 178.278 177.584 -0.526 0.000 1.164 260 A CA 0.953 52.418 52.037 -0.952 0.000 0.644 260 A CB 0.075 18.780 19.000 -0.493 0.000 0.805 260 A HN 0.264 nan 8.150 nan 0.000 0.449 261 L N -0.938 120.119 121.223 -0.277 0.000 2.330 261 L HA 0.408 4.013 4.340 -1.224 0.000 0.271 261 L C -0.834 175.965 176.870 -0.117 0.000 1.013 261 L CA -0.957 53.798 54.840 -0.141 0.000 0.816 261 L CB 1.537 43.600 42.059 0.008 0.000 1.287 261 L HN 0.007 nan 8.230 nan 0.000 0.435 262 D N 1.002 121.359 120.400 -0.071 0.000 2.428 262 D HA 0.445 4.351 4.640 -1.224 0.000 0.221 262 D C 0.748 177.038 176.300 -0.017 0.000 1.123 262 D CA 0.937 54.908 54.000 -0.048 0.000 0.869 262 D CB 0.924 41.703 40.800 -0.035 0.000 1.032 262 D HN 0.706 nan 8.370 nan 0.000 0.506 263 G N 3.664 112.450 108.800 -0.023 0.000 3.274 263 G HA2 -0.338 2.888 3.960 -1.224 0.000 0.313 263 G HA3 -0.338 2.888 3.960 -1.224 0.000 0.313 263 G C 0.751 175.656 174.900 0.007 0.000 1.295 263 G CA 0.826 45.921 45.100 -0.008 0.000 1.004 263 G HN 1.115 nan 8.290 nan 0.000 0.614 264 S N -0.708 115.016 115.700 0.042 0.000 2.819 264 S HA 0.500 4.236 4.470 -1.224 0.000 0.249 264 S C 0.338 175.015 174.600 0.128 0.000 1.030 264 S CA 1.037 59.294 58.200 0.095 0.000 1.052 264 S CB 0.768 64.039 63.200 0.119 0.000 1.017 264 S HN 0.932 nan 8.310 nan 0.000 0.576 265 T N 3.078 117.684 114.554 0.087 0.000 2.780 265 T HA 0.397 4.012 4.350 -1.224 0.000 0.294 265 T C -0.633 174.136 174.700 0.115 0.000 0.949 265 T CA -0.275 61.889 62.100 0.106 0.000 1.074 265 T CB 0.286 69.196 68.868 0.070 0.000 0.910 265 T HN 0.379 nan 8.240 nan 0.000 0.501 266 F N 4.224 124.183 119.950 0.014 0.000 2.495 266 F HA 0.399 4.191 4.527 -1.226 0.000 0.365 266 F C 0.994 176.797 175.800 0.005 0.000 1.090 266 F CA -0.003 57.997 58.000 0.001 0.000 1.235 266 F CB 0.508 39.503 39.000 -0.009 0.000 1.119 266 F HN 0.638 nan 8.300 nan 0.000 0.562 267 T N 1.223 115.605 114.554 -0.287 0.000 2.864 267 T HA 0.445 4.061 4.350 -1.224 0.000 0.289 267 T C 0.962 175.530 174.700 -0.221 0.000 1.082 267 T CA -0.356 61.673 62.100 -0.117 0.000 1.009 267 T CB 1.198 70.017 68.868 -0.082 0.000 1.234 267 T HN 0.604 nan 8.240 nan 0.000 0.526 268 G N -0.413 108.364 108.800 -0.039 0.000 2.527 268 G HA2 0.167 3.392 3.960 -1.224 0.000 0.219 268 G HA3 0.167 3.392 3.960 -1.224 0.000 0.219 268 G C 1.233 176.110 174.900 -0.038 0.000 1.117 268 G CA 0.657 45.754 45.100 -0.004 0.000 0.759 268 G HN 1.171 nan 8.290 nan 0.000 0.556 269 A N -0.106 122.669 122.820 -0.076 0.000 2.220 269 A HA 0.401 3.987 4.320 -1.224 0.000 0.211 269 A C 2.446 180.031 177.584 0.002 0.000 1.176 269 A CA 1.182 53.219 52.037 -0.001 0.000 0.834 269 A CB 0.006 19.031 19.000 0.040 0.000 0.868 269 A HN 0.198 nan 8.150 nan 0.000 0.488 270 S N 0.180 115.716 115.700 -0.272 0.000 2.370 270 S HA -0.161 3.574 4.470 -1.224 0.000 0.226 270 S C 1.673 176.188 174.600 -0.141 0.000 1.033 270 S CA 1.839 59.790 58.200 -0.415 0.000 1.011 270 S CB -0.468 62.106 63.200 -1.043 0.000 0.852 270 S HN 0.982 nan 8.310 nan 0.000 0.457 271 V N -1.174 118.685 119.914 -0.092 0.000 3.514 271 V HA 0.558 3.943 4.120 -1.224 0.000 0.301 271 V C 0.744 176.901 176.094 0.106 0.000 1.346 271 V CA 0.306 62.643 62.300 0.062 0.000 1.156 271 V CB -0.401 31.492 31.823 0.116 0.000 1.029 271 V HN 0.303 nan 8.190 nan 0.000 0.428 272 G N -0.159 108.733 108.800 0.153 0.000 3.252 272 G HA2 0.547 3.772 3.960 -1.224 0.000 0.181 272 G HA3 0.547 3.772 3.960 -1.224 0.000 0.181 272 G C -0.771 174.277 174.900 0.247 0.000 1.187 272 G CA -0.511 44.697 45.100 0.181 0.000 0.886 272 G HN 0.106 nan 8.290 nan 0.000 0.615 273 V N 1.499 121.521 119.914 0.180 0.000 2.488 273 V HA 0.345 3.731 4.120 -1.224 0.000 0.277 273 V C -0.491 175.581 176.094 -0.036 0.000 1.046 273 V CA -0.136 62.161 62.300 -0.006 0.000 0.986 273 V CB 0.489 32.260 31.823 -0.086 0.000 0.989 273 V HN 0.810 nan 8.190 nan 0.000 0.475 274 H N 0.354 119.467 119.070 0.071 0.000 2.380 274 H HA 0.494 4.314 4.556 -1.226 0.000 0.231 274 H C -0.446 174.872 175.328 -0.018 0.000 1.415 274 H CA -0.772 55.279 56.048 0.005 0.000 1.433 274 H CB 0.200 29.947 29.762 -0.025 0.000 1.544 274 H HN 0.485 nan 8.280 nan 0.000 0.503 275 D N 1.506 121.920 120.400 0.022 0.000 2.501 275 D HA 0.293 4.199 4.640 -1.224 0.000 0.226 275 D C 0.435 176.753 176.300 0.030 0.000 1.198 275 D CA -0.261 53.749 54.000 0.017 0.000 0.830 275 D CB 0.043 40.830 40.800 -0.023 0.000 1.014 275 D HN 0.709 nan 8.370 nan 0.000 0.496 276 A N 1.107 123.945 122.820 0.030 0.000 2.462 276 A HA 0.445 4.031 4.320 -1.224 0.000 0.243 276 A C -2.163 175.434 177.584 0.021 0.000 1.076 276 A CA -0.908 51.143 52.037 0.023 0.000 0.773 276 A CB 0.006 19.016 19.000 0.017 0.000 1.010 276 A HN 0.153 nan 8.150 nan 0.000 0.493 277 P HA 0.180 nan 4.420 nan 0.000 0.266 277 P C -0.679 176.632 177.300 0.018 0.000 1.195 277 P CA 0.415 63.536 63.100 0.034 0.000 0.768 277 P CB 0.365 32.089 31.700 0.040 0.000 0.838 278 K N 1.923 122.335 120.400 0.019 0.000 2.443 278 K HA 0.122 3.708 4.320 -1.224 0.000 0.252 278 K C 0.854 177.473 176.600 0.032 0.000 0.933 278 K CA -0.644 55.648 56.287 0.010 0.000 0.792 278 K CB 1.952 34.437 32.500 -0.024 0.000 1.185 278 K HN 0.354 nan 8.250 nan 0.000 0.425 279 E N 1.508 121.725 120.200 0.028 0.000 2.085 279 E HA -0.189 3.427 4.350 -1.224 0.000 0.194 279 E C 1.287 177.922 176.600 0.058 0.000 0.994 279 E CA 2.216 58.639 56.400 0.038 0.000 0.801 279 E CB 0.192 29.907 29.700 0.026 0.000 0.743 279 E HN 0.642 nan 8.360 nan 0.000 0.453 280 S N -0.437 115.298 115.700 0.059 0.000 2.515 280 S HA 0.195 3.931 4.470 -1.224 0.000 0.231 280 S C 0.754 175.433 174.600 0.132 0.000 0.987 280 S CA 0.309 58.561 58.200 0.088 0.000 0.936 280 S CB 0.081 63.323 63.200 0.070 0.000 0.766 280 S HN 0.352 nan 8.310 nan 0.000 0.528 281 A N 1.935 124.835 122.820 0.133 0.000 2.320 281 A HA 0.640 4.226 4.320 -1.224 0.000 0.334 281 A C 0.287 178.017 177.584 0.243 0.000 1.147 281 A CA -0.455 51.718 52.037 0.226 0.000 0.820 281 A CB 0.785 19.881 19.000 0.161 0.000 1.218 281 A HN 0.478 nan 8.150 nan 0.000 0.482 282 T N -0.201 114.552 114.554 0.332 0.000 2.738 282 T HA 0.260 3.875 4.350 -1.224 0.000 0.293 282 T C -0.334 174.565 174.700 0.331 0.000 0.913 282 T CA -0.322 61.938 62.100 0.268 0.000 1.103 282 T CB 0.464 69.481 68.868 0.249 0.000 0.880 282 T HN 0.481 nan 8.240 nan 0.000 0.526 283 D N 3.184 123.720 120.400 0.227 0.000 2.350 283 D HA 0.040 3.946 4.640 -1.224 0.000 0.213 283 D C 0.395 176.830 176.300 0.226 0.000 1.031 283 D CA 0.409 54.546 54.000 0.229 0.000 0.861 283 D CB 0.271 41.159 40.800 0.147 0.000 0.926 283 D HN 0.725 nan 8.370 nan 0.000 0.520 284 N N -0.033 118.774 118.700 0.178 0.000 2.536 284 N HA 0.225 4.231 4.740 -1.224 0.000 0.286 284 N C -0.591 174.957 175.510 0.064 0.000 1.577 284 N CA -0.113 53.008 53.050 0.117 0.000 0.883 284 N CB 1.440 39.946 38.487 0.033 0.000 1.390 284 N HN -0.050 nan 8.380 nan 0.000 0.491 285 I N 1.377 122.031 120.570 0.139 0.000 2.312 285 I HA 0.292 3.728 4.170 -1.224 0.000 0.290 285 I C -0.259 175.983 176.117 0.207 0.000 1.008 285 I CA -0.923 60.467 61.300 0.151 0.000 1.226 285 I CB 1.158 39.252 38.000 0.156 0.000 1.371 285 I HN -0.174 nan 8.210 nan 0.000 0.468 286 V N 5.082 125.055 119.914 0.099 0.000 2.439 286 V HA 0.173 3.559 4.120 -1.224 0.000 0.282 286 V C 0.482 176.442 176.094 -0.223 0.000 1.039 286 V CA -0.396 61.856 62.300 -0.080 0.000 0.913 286 V CB 1.711 33.440 31.823 -0.156 0.000 0.983 286 V HN 0.770 nan 8.190 nan 0.000 0.460 287 S N 5.050 120.407 115.700 -0.572 0.000 2.409 287 S HA 0.348 4.084 4.470 -1.224 0.000 0.308 287 S C -0.468 173.836 174.600 -0.495 0.000 1.080 287 S CA -0.488 57.219 58.200 -0.822 0.000 1.081 287 S CB -0.440 61.935 63.200 -1.375 0.000 1.009 287 S HN 0.533 nan 8.310 nan 0.000 0.502 288 F N 7.155 126.894 119.950 -0.350 0.000 2.619 288 F HA 0.302 4.099 4.527 -1.218 0.000 0.350 288 F C 0.428 176.221 175.800 -0.011 0.000 1.259 288 F CA -0.625 57.289 58.000 -0.144 0.000 1.204 288 F CB -0.249 38.747 39.000 -0.006 0.000 1.556 288 F HN 0.688 nan 8.300 nan 0.000 0.650 289 N N 0.759 119.379 118.700 -0.134 0.000 2.563 289 N HA 0.240 4.246 4.740 -1.224 0.000 0.288 289 N C 0.408 175.927 175.510 0.016 0.000 1.246 289 N CA -0.718 52.328 53.050 -0.005 0.000 0.946 289 N CB 0.403 38.805 38.487 -0.142 0.000 1.213 289 N HN 0.082 nan 8.380 nan 0.000 0.578 290 D N -1.629 118.877 120.400 0.176 0.000 2.182 290 D HA -0.198 3.707 4.640 -1.224 0.000 0.201 290 D C 1.307 177.717 176.300 0.184 0.000 0.986 290 D CA 1.267 55.392 54.000 0.208 0.000 0.847 290 D CB -0.350 40.661 40.800 0.350 0.000 0.942 290 D HN 0.620 nan 8.370 nan 0.000 0.467 291 H N -0.541 118.496 119.070 -0.056 0.000 2.299 291 H HA -0.173 3.650 4.556 -1.222 0.000 0.302 291 H C 2.004 177.372 175.328 0.067 0.000 1.078 291 H CA 1.358 57.368 56.048 -0.063 0.000 1.323 291 H CB -0.521 29.034 29.762 -0.345 0.000 1.381 291 H HN 0.198 nan 8.280 nan 0.000 0.498 292 Y N 1.185 121.485 120.300 0.001 0.000 2.165 292 Y HA -0.211 3.601 4.550 -1.229 0.000 0.286 292 Y C 2.682 178.431 175.900 -0.251 0.000 1.155 292 Y CA 2.080 60.113 58.100 -0.112 0.000 1.164 292 Y CB -0.630 37.668 38.460 -0.270 0.000 0.978 292 Y HN 0.296 nan 8.280 nan 0.000 0.513 293 A N -1.046 121.600 122.820 -0.289 0.000 2.119 293 A HA 0.009 3.595 4.320 -1.224 0.000 0.217 293 A C 1.408 178.963 177.584 -0.049 0.000 1.153 293 A CA 0.884 52.766 52.037 -0.258 0.000 0.692 293 A CB -0.694 18.216 19.000 -0.150 0.000 0.799 293 A HN 0.310 nan 8.150 nan 0.000 0.458 294 S N -0.749 114.953 115.700 0.004 0.000 2.475 294 S HA 0.338 4.074 4.470 -1.224 0.000 0.281 294 S C 1.211 175.828 174.600 0.029 0.000 1.198 294 S CA 0.036 58.292 58.200 0.093 0.000 1.063 294 S CB 0.751 64.135 63.200 0.307 0.000 0.972 294 S HN 0.392 nan 8.310 nan 0.000 0.486 295 T N 5.068 119.631 114.554 0.015 0.000 2.708 295 T HA -0.093 3.523 4.350 -1.224 0.000 0.266 295 T C 2.136 176.825 174.700 -0.018 0.000 1.037 295 T CA 1.647 63.744 62.100 -0.006 0.000 1.146 295 T CB -0.589 68.277 68.868 -0.003 0.000 0.865 295 T HN 0.790 nan 8.240 nan 0.000 0.435 296 A N 0.576 123.362 122.820 -0.055 0.000 1.865 296 A HA -0.126 3.459 4.320 -1.224 0.000 0.217 296 A C 2.110 179.615 177.584 -0.132 0.000 1.191 296 A CA 1.518 53.469 52.037 -0.144 0.000 0.623 296 A CB -1.313 17.528 19.000 -0.265 0.000 0.826 296 A HN 0.704 nan 8.150 nan 0.000 0.444 297 W N -0.109 121.153 121.300 -0.063 0.000 2.392 297 W HA -0.110 3.840 4.660 -1.184 0.000 0.279 297 W C 1.346 177.771 176.519 -0.156 0.000 1.225 297 W CA 1.151 58.424 57.345 -0.121 0.000 1.233 297 W CB -0.172 29.107 29.460 -0.301 0.000 1.122 297 W HN 0.401 nan 8.180 nan 0.000 0.561 298 N N -0.199 118.551 118.700 0.083 0.000 2.268 298 N HA 0.079 4.085 4.740 -1.224 0.000 0.204 298 N C 1.354 176.918 175.510 0.090 0.000 1.124 298 N CA 0.056 53.157 53.050 0.084 0.000 0.838 298 N CB -0.142 38.357 38.487 0.020 0.000 0.994 298 N HN 0.075 nan 8.380 nan 0.000 0.489 299 L N 0.065 121.331 121.223 0.071 0.000 2.012 299 L HA -0.104 3.501 4.340 -1.224 0.000 0.210 299 L C 0.714 177.634 176.870 0.083 0.000 1.073 299 L CA 0.992 55.864 54.840 0.054 0.000 0.748 299 L CB -0.308 41.763 42.059 0.019 0.000 0.891 299 L HN 0.247 nan 8.230 nan 0.000 0.431 300 L N 0.023 121.319 121.223 0.121 0.000 2.417 300 L HA 0.187 3.793 4.340 -1.224 0.000 0.268 300 L C -1.899 175.066 176.870 0.158 0.000 1.158 300 L CA -1.976 52.944 54.840 0.132 0.000 0.819 300 L CB 0.066 42.218 42.059 0.155 0.000 1.112 300 L HN -0.133 nan 8.230 nan 0.000 0.458 301 P HA -0.052 nan 4.420 nan 0.000 0.265 301 P C -0.577 176.854 177.300 0.218 0.000 1.193 301 P CA -0.157 63.043 63.100 0.167 0.000 0.765 301 P CB 0.208 31.986 31.700 0.128 0.000 0.823 302 F N 3.077 123.089 119.950 0.102 0.000 2.602 302 F HA 0.239 4.034 4.527 -1.220 0.000 0.385 302 F C 0.486 176.337 175.800 0.085 0.000 1.063 302 F CA 1.222 59.287 58.000 0.109 0.000 1.233 302 F CB 0.212 39.257 39.000 0.076 0.000 1.067 302 F HN 0.212 nan 8.300 nan 0.000 0.564 303 S N 6.590 122.033 115.700 -0.429 0.000 2.548 303 S HA 0.237 3.973 4.470 -1.224 0.000 0.278 303 S C 0.469 174.903 174.600 -0.277 0.000 1.150 303 S CA -0.880 57.168 58.200 -0.254 0.000 0.907 303 S CB 0.893 64.087 63.200 -0.009 0.000 1.108 303 S HN 0.853 nan 8.310 nan 0.000 0.459 304 I N 4.389 124.865 120.570 -0.157 0.000 2.399 304 I HA -0.146 3.290 4.170 -1.224 0.000 0.254 304 I C 1.268 177.565 176.117 0.301 0.000 1.146 304 I CA 1.421 62.745 61.300 0.040 0.000 1.412 304 I CB 0.012 38.045 38.000 0.055 0.000 1.076 304 I HN 0.737 nan 8.210 nan 0.000 0.432 305 L N 0.129 121.446 121.223 0.157 0.000 2.395 305 L HA -0.035 3.571 4.340 -1.224 0.000 0.218 305 L C 0.217 177.149 176.870 0.103 0.000 1.130 305 L CA 0.263 55.184 54.840 0.136 0.000 0.826 305 L CB -0.655 41.464 42.059 0.099 0.000 0.941 305 L HN 0.221 nan 8.230 nan 0.000 0.451 306 N N 0.779 119.545 118.700 0.109 0.000 2.485 306 N HA 0.152 4.158 4.740 -1.224 0.000 0.243 306 N C 1.082 176.677 175.510 0.141 0.000 0.987 306 N CA -0.296 52.817 53.050 0.106 0.000 0.940 306 N CB 1.560 40.115 38.487 0.113 0.000 1.122 306 N HN -0.062 nan 8.380 nan 0.000 0.509 307 I N 2.994 123.600 120.570 0.059 0.000 2.264 307 I HA -0.137 3.299 4.170 -1.224 0.000 0.248 307 I C -0.620 175.559 176.117 0.104 0.000 1.111 307 I CA 0.665 61.939 61.300 -0.043 0.000 1.382 307 I CB -2.018 35.892 38.000 -0.149 0.000 1.060 307 I HN 0.309 nan 8.210 nan 0.000 0.418 308 P HA -0.149 nan 4.420 nan 0.000 0.217 308 P C 1.753 179.039 177.300 -0.024 0.000 1.148 308 P CA 1.988 65.179 63.100 0.152 0.000 0.828 308 P CB -0.415 31.394 31.700 0.181 0.000 0.783 309 T N -5.642 108.876 114.554 -0.060 0.000 2.977 309 T HA -0.171 3.444 4.350 -1.224 0.000 0.271 309 T C 1.317 175.934 174.700 -0.137 0.000 1.105 309 T CA 0.601 62.514 62.100 -0.311 0.000 1.116 309 T CB -1.242 67.441 68.868 -0.308 0.000 0.878 309 T HN 0.056 nan 8.240 nan 0.000 0.509 310 W N 0.984 122.175 121.300 -0.183 0.000 2.825 310 W HA 0.391 4.306 4.660 -1.241 0.000 0.243 310 W C 1.936 178.400 176.519 -0.092 0.000 1.293 310 W CA -1.341 55.954 57.345 -0.082 0.000 1.403 310 W CB -0.695 28.739 29.460 -0.043 0.000 1.134 310 W HN 0.268 nan 8.180 nan 0.000 0.666 311 I N 0.166 120.701 120.570 -0.058 0.000 2.236 311 I HA -0.386 3.050 4.170 -1.224 0.000 0.249 311 I C 1.699 177.695 176.117 -0.202 0.000 1.102 311 I CA 1.634 62.774 61.300 -0.267 0.000 1.365 311 I CB -0.104 37.400 38.000 -0.828 0.000 1.051 311 I HN -0.225 nan 8.210 nan 0.000 0.420 312 S N -1.041 114.572 115.700 -0.144 0.000 2.562 312 S HA -0.127 3.609 4.470 -1.224 0.000 0.221 312 S C 1.480 176.204 174.600 0.207 0.000 0.975 312 S CA 0.330 58.487 58.200 -0.072 0.000 0.918 312 S CB -0.313 62.840 63.200 -0.079 0.000 0.772 312 S HN 0.592 nan 8.310 nan 0.000 0.531 313 H N 1.064 120.208 119.070 0.124 0.000 2.562 313 H HA 0.352 4.167 4.556 -1.236 0.000 0.267 313 H C 0.319 175.884 175.328 0.395 0.000 0.959 313 H CA -0.112 56.104 56.048 0.280 0.000 1.204 313 H CB -0.085 29.685 29.762 0.013 0.000 1.430 313 H HN 0.226 nan 8.280 nan 0.000 0.545 314 L N 2.678 124.021 121.223 0.201 0.000 2.485 314 L HA 0.077 3.683 4.340 -1.224 0.000 0.275 314 L C -1.003 175.849 176.870 -0.030 0.000 1.207 314 L CA -1.222 53.615 54.840 -0.004 0.000 0.855 314 L CB 0.720 42.752 42.059 -0.045 0.000 1.114 314 L HN 0.216 nan 8.230 nan 0.000 0.485 315 P HA -0.092 nan 4.420 nan 0.000 0.219 315 P C 1.401 178.600 177.300 -0.168 0.000 1.150 315 P CA 1.040 63.850 63.100 -0.483 0.000 0.814 315 P CB 0.144 31.344 31.700 -0.834 0.000 0.787 316 T N 0.476 114.962 114.554 -0.113 0.000 2.720 316 T HA -0.131 3.484 4.350 -1.224 0.000 0.268 316 T C 2.018 176.732 174.700 0.023 0.000 1.037 316 T CA 1.953 64.032 62.100 -0.035 0.000 1.144 316 T CB -0.785 68.084 68.868 0.000 0.000 0.864 316 T HN 0.109 nan 8.240 nan 0.000 0.444 317 A N -0.228 122.621 122.820 0.047 0.000 2.014 317 A HA 0.018 3.604 4.320 -1.224 0.000 0.218 317 A C 1.952 179.628 177.584 0.153 0.000 1.163 317 A CA 0.957 53.037 52.037 0.072 0.000 0.652 317 A CB -0.827 18.169 19.000 -0.007 0.000 0.808 317 A HN 0.547 nan 8.150 nan 0.000 0.449 318 Y N 0.145 120.491 120.300 0.076 0.000 2.097 318 Y HA -0.169 3.641 4.550 -1.234 0.000 0.282 318 Y C 2.785 178.626 175.900 -0.098 0.000 1.152 318 Y CA 1.672 59.737 58.100 -0.058 0.000 1.136 318 Y CB -0.707 37.615 38.460 -0.229 0.000 0.975 318 Y HN 0.341 nan 8.280 nan 0.000 0.498 319 G N -1.098 107.712 108.800 0.016 0.000 2.404 319 G HA2 -0.290 2.935 3.960 -1.224 0.000 0.215 319 G HA3 -0.290 2.935 3.960 -1.224 0.000 0.215 319 G C 1.193 176.115 174.900 0.036 0.000 1.174 319 G CA 1.214 46.291 45.100 -0.037 0.000 0.780 319 G HN 0.438 nan 8.290 nan 0.000 0.537 320 D N -0.027 120.405 120.400 0.054 0.000 2.084 320 D HA 0.009 3.915 4.640 -1.224 0.000 0.196 320 D C 2.622 178.985 176.300 0.105 0.000 0.985 320 D CA 1.595 55.638 54.000 0.072 0.000 0.826 320 D CB -0.489 40.353 40.800 0.070 0.000 0.978 320 D HN 0.195 nan 8.370 nan 0.000 0.456 321 G N -0.084 108.798 108.800 0.137 0.000 2.418 321 G HA2 -0.213 3.013 3.960 -1.224 0.000 0.217 321 G HA3 -0.213 3.013 3.960 -1.224 0.000 0.217 321 G C 1.578 176.593 174.900 0.192 0.000 1.158 321 G CA 0.592 45.801 45.100 0.182 0.000 0.771 321 G HN 0.259 nan 8.290 nan 0.000 0.545 322 M N 0.267 119.978 119.600 0.186 0.000 2.506 322 M HA 0.084 3.830 4.480 -1.224 0.000 0.260 322 M C 2.218 178.676 176.300 0.264 0.000 1.104 322 M CA 0.634 56.084 55.300 0.250 0.000 1.112 322 M CB -0.104 32.687 32.600 0.318 0.000 1.401 322 M HN 0.248 nan 8.290 nan 0.000 0.473 323 N N 1.104 119.924 118.700 0.200 0.000 2.188 323 N HA -0.106 3.899 4.740 -1.224 0.000 0.184 323 N C 1.647 177.228 175.510 0.118 0.000 1.018 323 N CA 1.348 54.492 53.050 0.157 0.000 0.858 323 N CB 0.086 38.635 38.487 0.103 0.000 0.989 323 N HN 0.193 nan 8.380 nan 0.000 0.426 324 R N -0.161 120.410 120.500 0.120 0.000 2.120 324 R HA -0.001 3.605 4.340 -1.224 0.000 0.234 324 R C 2.063 178.437 176.300 0.123 0.000 1.123 324 R CA 1.132 57.297 56.100 0.107 0.000 0.975 324 R CB -0.291 30.075 30.300 0.109 0.000 0.866 324 R HN 0.368 nan 8.270 nan 0.000 0.446 325 I N 0.610 121.272 120.570 0.153 0.000 2.179 325 I HA -0.304 3.132 4.170 -1.224 0.000 0.242 325 I C 2.222 178.441 176.117 0.171 0.000 1.088 325 I CA 1.103 62.502 61.300 0.164 0.000 1.357 325 I CB -0.261 37.836 38.000 0.160 0.000 1.051 325 I HN 0.132 nan 8.210 nan 0.000 0.409 326 I N 0.824 121.448 120.570 0.091 0.000 2.208 326 I HA -0.284 3.152 4.170 -1.224 0.000 0.245 326 I C 2.233 178.270 176.117 -0.134 0.000 1.097 326 I CA 1.879 63.101 61.300 -0.130 0.000 1.363 326 I CB -0.920 37.052 38.000 -0.047 0.000 1.051 326 I HN 0.385 nan 8.210 nan 0.000 0.413 327 E N -0.041 120.151 120.200 -0.013 0.000 2.481 327 E HA -0.029 3.587 4.350 -1.224 0.000 0.195 327 E C 0.987 177.592 176.600 0.008 0.000 1.047 327 E CA -0.127 56.267 56.400 -0.010 0.000 0.867 327 E CB 0.139 29.847 29.700 0.013 0.000 0.858 327 E HN 0.191 nan 8.360 nan 0.000 0.513 328 S N 1.029 116.762 115.700 0.056 0.000 2.560 328 S HA -0.018 3.718 4.470 -1.224 0.000 0.284 328 S C 1.165 175.767 174.600 0.003 0.000 1.327 328 S CA -0.362 57.869 58.200 0.052 0.000 1.055 328 S CB 0.577 63.867 63.200 0.149 0.000 0.868 328 S HN -0.025 nan 8.310 nan 0.000 0.506 329 K N 3.600 123.904 120.400 -0.160 0.000 2.442 329 K HA -0.012 3.573 4.320 -1.224 0.000 0.198 329 K C 0.643 177.151 176.600 -0.153 0.000 1.042 329 K CA 0.991 57.153 56.287 -0.209 0.000 0.958 329 K CB -0.298 31.983 32.500 -0.365 0.000 0.766 329 K HN 0.677 nan 8.250 nan 0.000 0.474 330 F N -1.144 118.867 119.950 0.102 0.000 2.727 330 F HA 0.077 3.869 4.527 -1.225 0.000 0.302 330 F C 1.909 177.659 175.800 -0.083 0.000 1.097 330 F CA -1.062 56.971 58.000 0.055 0.000 1.330 330 F CB -0.791 38.312 39.000 0.172 0.000 1.084 330 F HN 0.007 nan 8.300 nan 0.000 0.578 331 Y N 2.415 122.721 120.300 0.009 0.000 2.102 331 Y HA -0.330 3.485 4.550 -1.225 0.000 0.280 331 Y C 2.181 178.002 175.900 -0.131 0.000 1.178 331 Y CA 2.266 60.300 58.100 -0.110 0.000 1.146 331 Y CB -0.323 38.085 38.460 -0.086 0.000 0.968 331 Y HN 0.194 nan 8.280 nan 0.000 0.504 332 D N -0.573 119.840 120.400 0.023 0.000 2.363 332 D HA -0.112 3.794 4.640 -1.224 0.000 0.226 332 D C 1.500 177.736 176.300 -0.107 0.000 1.020 332 D CA 0.818 54.802 54.000 -0.026 0.000 0.892 332 D CB -0.781 40.085 40.800 0.110 0.000 0.900 332 D HN 0.512 nan 8.370 nan 0.000 0.531 333 L N 0.341 121.478 121.223 -0.144 0.000 2.446 333 L HA 0.108 3.714 4.340 -1.224 0.000 0.219 333 L C 1.131 177.834 176.870 -0.278 0.000 1.116 333 L CA 0.508 55.268 54.840 -0.133 0.000 0.844 333 L CB -0.503 41.508 42.059 -0.079 0.000 0.970 333 L HN 0.100 nan 8.230 nan 0.000 0.457 334 T N -1.917 112.293 114.554 -0.573 0.000 2.874 334 T HA 0.497 4.112 4.350 -1.224 0.000 0.281 334 T C 0.199 174.632 174.700 -0.445 0.000 0.994 334 T CA -0.494 61.182 62.100 -0.707 0.000 1.015 334 T CB 1.964 70.230 68.868 -1.004 0.000 1.028 334 T HN 0.196 nan 8.240 nan 0.000 0.523 335 S N -0.083 115.421 115.700 -0.327 0.000 2.732 335 S HA 0.456 4.191 4.470 -1.224 0.000 0.293 335 S C 0.883 175.378 174.600 -0.176 0.000 1.159 335 S CA -1.098 56.979 58.200 -0.205 0.000 0.847 335 S CB 1.746 64.893 63.200 -0.088 0.000 1.169 335 S HN 0.836 nan 8.310 nan 0.000 0.501 336 K N -0.057 120.292 120.400 -0.085 0.000 2.103 336 K HA -0.102 3.483 4.320 -1.224 0.000 0.207 336 K C 0.040 176.635 176.600 -0.009 0.000 1.048 336 K CA 1.899 58.166 56.287 -0.032 0.000 0.930 336 K CB -0.223 32.300 32.500 0.039 0.000 0.716 336 K HN 0.591 nan 8.250 nan 0.000 0.444 337 D N 0.406 120.808 120.400 0.003 0.000 2.463 337 D HA 0.085 3.991 4.640 -1.224 0.000 0.224 337 D C -0.603 175.715 176.300 0.029 0.000 1.174 337 D CA 0.055 54.078 54.000 0.037 0.000 0.829 337 D CB 0.736 41.572 40.800 0.061 0.000 0.993 337 D HN 0.005 nan 8.370 nan 0.000 0.497 338 S N 0.553 116.244 115.700 -0.015 0.000 2.558 338 S HA 0.058 3.794 4.470 -1.224 0.000 0.288 338 S C 0.622 175.243 174.600 0.035 0.000 1.318 338 S CA 0.172 58.389 58.200 0.029 0.000 1.056 338 S CB 0.738 63.882 63.200 -0.093 0.000 0.853 338 S HN 0.102 nan 8.310 nan 0.000 0.505 339 T N 4.256 118.856 114.554 0.076 0.000 2.738 339 T HA 0.346 3.962 4.350 -1.224 0.000 0.293 339 T C 0.043 174.814 174.700 0.118 0.000 0.913 339 T CA 0.134 62.208 62.100 -0.043 0.000 1.103 339 T CB -0.541 68.228 68.868 -0.165 0.000 0.880 339 T HN 0.378 nan 8.240 nan 0.000 0.526 340 I N 4.714 125.317 120.570 0.054 0.000 2.478 340 I HA 0.378 3.814 4.170 -1.224 0.000 0.287 340 I C -0.618 175.559 176.117 0.100 0.000 1.042 340 I CA -0.962 60.413 61.300 0.124 0.000 1.067 340 I CB 1.792 39.822 38.000 0.050 0.000 1.233 340 I HN 0.360 nan 8.210 nan 0.000 0.431 341 I N 7.134 127.779 120.570 0.125 0.000 2.330 341 I HA 0.358 3.794 4.170 -1.224 0.000 0.289 341 I C -0.089 176.099 176.117 0.118 0.000 1.001 341 I CA -0.753 60.610 61.300 0.106 0.000 1.193 341 I CB 1.468 39.530 38.000 0.103 0.000 1.345 341 I HN 0.133 nan 8.210 nan 0.000 0.461 342 V N 5.621 125.600 119.914 0.109 0.000 2.370 342 V HA 0.474 3.860 4.120 -1.224 0.000 0.283 342 V C 0.766 176.924 176.094 0.107 0.000 1.023 342 V CA -0.865 61.507 62.300 0.119 0.000 0.857 342 V CB 1.554 33.470 31.823 0.156 0.000 0.985 342 V HN 0.854 nan 8.190 nan 0.000 0.443 343 A N 4.330 127.211 122.820 0.103 0.000 2.444 343 A HA 0.363 3.948 4.320 -1.224 0.000 0.287 343 A C 0.575 178.232 177.584 0.121 0.000 1.195 343 A CA -0.012 52.091 52.037 0.109 0.000 0.858 343 A CB -0.409 18.623 19.000 0.053 0.000 1.117 343 A HN 0.786 nan 8.150 nan 0.000 0.521 344 N N 2.405 121.202 118.700 0.160 0.000 2.497 344 N HA 0.224 4.230 4.740 -1.224 0.000 0.284 344 N C -0.591 175.054 175.510 0.225 0.000 1.459 344 N CA -0.001 53.125 53.050 0.127 0.000 0.899 344 N CB 0.368 38.849 38.487 -0.010 0.000 1.316 344 N HN 0.633 nan 8.380 nan 0.000 0.500 345 L N 0.777 122.131 121.223 0.218 0.000 2.418 345 L HA 0.288 3.893 4.340 -1.224 0.000 0.265 345 L C 1.261 178.155 176.870 0.039 0.000 1.143 345 L CA -0.410 54.543 54.840 0.188 0.000 0.809 345 L CB 0.619 42.778 42.059 0.167 0.000 1.124 345 L HN 0.129 nan 8.230 nan 0.000 0.456 346 S N -0.378 115.207 115.700 -0.192 0.000 2.596 346 S HA 0.047 3.783 4.470 -1.224 0.000 0.260 346 S C 0.521 175.003 174.600 -0.197 0.000 1.336 346 S CA -0.707 57.234 58.200 -0.431 0.000 0.993 346 S CB 0.875 63.706 63.200 -0.615 0.000 0.923 346 S HN 0.585 nan 8.310 nan 0.000 0.567 347 D N 1.958 122.243 120.400 -0.192 0.000 2.104 347 D HA -0.012 3.894 4.640 -1.224 0.000 0.194 347 D C -0.642 175.578 176.300 -0.133 0.000 0.994 347 D CA 1.363 55.281 54.000 -0.137 0.000 0.830 347 D CB -1.999 38.717 40.800 -0.140 0.000 0.959 347 D HN 0.471 nan 8.370 nan 0.000 0.452 348 P HA -0.055 nan 4.420 nan 0.000 0.216 348 P C 1.233 178.492 177.300 -0.069 0.000 1.153 348 P CA 1.799 64.832 63.100 -0.111 0.000 0.848 348 P CB -0.070 31.564 31.700 -0.110 0.000 0.787 349 A N -0.302 122.485 122.820 -0.055 0.000 1.969 349 A HA -0.174 3.412 4.320 -1.224 0.000 0.218 349 A C 2.380 179.957 177.584 -0.012 0.000 1.169 349 A CA 1.263 53.300 52.037 0.000 0.000 0.635 349 A CB -1.114 17.918 19.000 0.053 0.000 0.810 349 A HN 0.019 nan 8.150 nan 0.000 0.445 350 R N -0.307 120.168 120.500 -0.043 0.000 2.120 350 R HA -0.085 3.521 4.340 -1.224 0.000 0.234 350 R C 2.169 178.396 176.300 -0.122 0.000 1.123 350 R CA 1.210 57.271 56.100 -0.065 0.000 0.975 350 R CB -0.339 29.921 30.300 -0.067 0.000 0.866 350 R HN 0.448 nan 8.270 nan 0.000 0.446 351 A N 1.411 124.167 122.820 -0.107 0.000 2.019 351 A HA -0.162 3.423 4.320 -1.224 0.000 0.219 351 A C 1.131 178.628 177.584 -0.145 0.000 1.164 351 A CA 1.688 53.651 52.037 -0.123 0.000 0.644 351 A CB -0.216 18.731 19.000 -0.089 0.000 0.805 351 A HN 0.674 nan 8.150 nan 0.000 0.449 352 N N -2.127 116.504 118.700 -0.116 0.000 2.307 352 N HA 0.095 4.100 4.740 -1.224 0.000 0.248 352 N C -0.882 174.580 175.510 -0.080 0.000 1.322 352 N CA 0.126 53.112 53.050 -0.107 0.000 0.861 352 N CB -0.213 38.257 38.487 -0.028 0.000 1.303 352 N HN -0.027 nan 8.380 nan 0.000 0.498 353 T N 0.868 115.356 114.554 -0.109 0.000 2.812 353 T HA 0.319 3.934 4.350 -1.224 0.000 0.282 353 T C -0.978 173.661 174.700 -0.102 0.000 0.990 353 T CA -0.346 61.776 62.100 0.037 0.000 0.960 353 T CB 0.816 69.791 68.868 0.177 0.000 0.948 353 T HN 0.127 nan 8.240 nan 0.000 0.438 354 W N 2.757 124.090 121.300 0.056 0.000 2.356 354 W HA 0.430 4.356 4.660 -1.223 0.000 0.311 354 W C -0.013 176.392 176.519 -0.190 0.000 1.328 354 W CA -0.676 56.644 57.345 -0.041 0.000 1.251 354 W CB 0.308 29.756 29.460 -0.020 0.000 1.280 354 W HN 0.310 nan 8.180 nan 0.000 0.524 355 V N 5.449 125.226 119.914 -0.227 0.000 2.470 355 V HA 0.165 3.551 4.120 -1.224 0.000 0.276 355 V C 0.291 176.097 176.094 -0.481 0.000 1.040 355 V CA -0.173 61.612 62.300 -0.859 0.000 1.008 355 V CB -0.014 31.481 31.823 -0.547 0.000 0.990 355 V HN 0.629 nan 8.190 nan 0.000 0.477 356 Q N 2.696 122.148 119.800 -0.581 0.000 2.630 356 Q HA 0.432 4.038 4.340 -1.224 0.000 0.295 356 Q C -1.434 174.670 176.000 0.173 0.000 0.944 356 Q CA -1.005 54.766 55.803 -0.054 0.000 0.766 356 Q CB 1.868 30.651 28.738 0.075 0.000 1.471 356 Q HN 0.443 nan 8.270 nan 0.000 0.416 357 D N 1.316 121.841 120.400 0.208 0.000 2.422 357 D HA 0.215 4.121 4.640 -1.224 0.000 0.227 357 D C 0.337 176.832 176.300 0.326 0.000 1.190 357 D CA -0.128 54.064 54.000 0.320 0.000 0.905 357 D CB 0.366 41.325 40.800 0.265 0.000 1.034 357 D HN 0.621 nan 8.370 nan 0.000 0.507 358 L N 3.039 124.519 121.223 0.429 0.000 2.395 358 L HA 0.048 3.654 4.340 -1.224 0.000 0.218 358 L C 1.106 178.074 176.870 0.162 0.000 1.130 358 L CA 0.056 55.040 54.840 0.240 0.000 0.826 358 L CB -0.580 41.538 42.059 0.098 0.000 0.941 358 L HN 0.555 nan 8.230 nan 0.000 0.451 359 N N 0.514 119.371 118.700 0.262 0.000 2.708 359 N HA -0.237 3.769 4.740 -1.224 0.000 0.249 359 N C 0.397 175.912 175.510 0.008 0.000 1.097 359 N CA 0.228 53.317 53.050 0.065 0.000 0.710 359 N CB -0.456 37.986 38.487 -0.076 0.000 1.032 359 N HN 0.251 nan 8.380 nan 0.000 0.551 360 R N 1.053 121.586 120.500 0.054 0.000 2.491 360 R HA 0.086 3.691 4.340 -1.224 0.000 0.283 360 R C 0.055 176.325 176.300 -0.049 0.000 1.072 360 R CA -0.080 55.970 56.100 -0.083 0.000 1.048 360 R CB 0.345 30.435 30.300 -0.349 0.000 0.983 360 R HN 0.310 nan 8.270 nan 0.000 0.450 361 N N 0.427 119.050 118.700 -0.129 0.000 2.714 361 N HA -0.229 3.777 4.740 -1.224 0.000 0.253 361 N C -1.604 173.746 175.510 -0.267 0.000 1.024 361 N CA 1.412 54.304 53.050 -0.265 0.000 0.726 361 N CB -0.780 37.392 38.487 -0.524 0.000 0.908 361 N HN 0.703 nan 8.380 nan 0.000 0.542 362 A N -0.543 122.181 122.820 -0.160 0.000 2.599 362 A HA 0.498 4.084 4.320 -1.224 0.000 0.294 362 A C -0.302 177.205 177.584 -0.129 0.000 1.055 362 A CA -0.824 51.137 52.037 -0.127 0.000 0.683 362 A CB 1.203 20.151 19.000 -0.087 0.000 1.278 362 A HN 0.132 nan 8.150 nan 0.000 0.412 363 E N 0.708 120.860 120.200 -0.081 0.000 2.422 363 E HA 0.241 3.857 4.350 -1.224 0.000 0.260 363 E C -0.197 176.328 176.600 -0.124 0.000 1.108 363 E CA 0.155 56.518 56.400 -0.061 0.000 0.943 363 E CB 0.372 30.070 29.700 -0.003 0.000 0.961 363 E HN 0.578 nan 8.360 nan 0.000 0.443 364 T N 2.226 116.733 114.554 -0.078 0.000 2.871 364 T HA -0.006 3.610 4.350 -1.224 0.000 0.296 364 T C -0.086 174.616 174.700 0.005 0.000 0.998 364 T CA 0.308 62.362 62.100 -0.077 0.000 1.162 364 T CB -0.133 68.727 68.868 -0.014 0.000 0.947 364 T HN 0.282 nan 8.240 nan 0.000 0.536 365 H N 2.245 121.353 119.070 0.063 0.000 2.707 365 H HA 0.325 4.145 4.556 -1.225 0.000 0.359 365 H C 0.296 175.664 175.328 0.067 0.000 1.113 365 H CA -0.649 55.443 56.048 0.073 0.000 1.422 365 H CB 0.623 30.438 29.762 0.087 0.000 1.443 365 H HN 0.191 nan 8.280 nan 0.000 0.591 366 K N 1.519 122.049 120.400 0.216 0.000 2.375 366 K HA 0.479 4.065 4.320 -1.224 0.000 0.249 366 K C 0.396 177.069 176.600 0.123 0.000 0.942 366 K CA -0.253 56.117 56.287 0.139 0.000 0.806 366 K CB 2.043 34.610 32.500 0.112 0.000 1.227 366 K HN 0.992 nan 8.250 nan 0.000 0.430 367 G N 0.987 109.851 108.800 0.107 0.000 2.681 367 G HA2 -0.232 2.993 3.960 -1.224 0.000 0.220 367 G HA3 -0.232 2.993 3.960 -1.224 0.000 0.220 367 G C -0.501 174.450 174.900 0.083 0.000 1.353 367 G CA -0.494 44.669 45.100 0.104 0.000 0.872 367 G HN 0.491 nan 8.290 nan 0.000 0.557 368 S N -0.414 115.333 115.700 0.078 0.000 2.600 368 S HA 0.620 4.355 4.470 -1.224 0.000 0.265 368 S C 0.426 174.972 174.600 -0.090 0.000 1.325 368 S CA 0.625 58.817 58.200 -0.014 0.000 1.002 368 S CB 1.204 64.422 63.200 0.031 0.000 0.921 368 S HN 0.970 nan 8.310 nan 0.000 0.554 369 T N 2.333 116.757 114.554 -0.217 0.000 2.824 369 T HA 0.524 4.140 4.350 -1.224 0.000 0.282 369 T C -0.951 173.546 174.700 -0.339 0.000 0.993 369 T CA -0.293 61.719 62.100 -0.148 0.000 0.967 369 T CB 0.278 69.119 68.868 -0.044 0.000 0.960 369 T HN 0.332 nan 8.240 nan 0.000 0.441 370 F N 2.771 122.749 119.950 0.046 0.000 2.427 370 F HA 0.591 4.383 4.527 -1.225 0.000 0.346 370 F C 0.310 176.156 175.800 0.077 0.000 1.120 370 F CA -1.083 56.946 58.000 0.048 0.000 1.033 370 F CB 0.967 39.971 39.000 0.008 0.000 1.126 370 F HN 0.302 nan 8.300 nan 0.000 0.462 371 I N 5.446 126.162 120.570 0.244 0.000 2.411 371 I HA 0.328 3.763 4.170 -1.224 0.000 0.284 371 I C -0.974 175.300 176.117 0.262 0.000 1.012 371 I CA -0.638 60.782 61.300 0.202 0.000 1.119 371 I CB 1.360 39.443 38.000 0.139 0.000 1.261 371 I HN 0.333 nan 8.210 nan 0.000 0.448 372 I N 5.311 126.016 120.570 0.226 0.000 2.321 372 I HA 0.388 3.824 4.170 -1.224 0.000 0.291 372 I C 0.980 177.190 176.117 0.156 0.000 0.998 372 I CA -0.144 61.291 61.300 0.224 0.000 1.227 372 I CB 0.964 39.087 38.000 0.205 0.000 1.368 372 I HN 0.567 nan 8.210 nan 0.000 0.466 373 G N 4.642 113.532 108.800 0.150 0.000 2.588 373 G HA2 0.453 3.678 3.960 -1.224 0.000 0.278 373 G HA3 0.453 3.678 3.960 -1.224 0.000 0.278 373 G C 0.098 175.040 174.900 0.071 0.000 1.307 373 G CA -0.243 44.908 45.100 0.085 0.000 1.016 373 G HN 0.681 nan 8.290 nan 0.000 0.503 374 S N -1.687 114.036 115.700 0.038 0.000 2.745 374 S HA 0.328 4.064 4.470 -1.224 0.000 0.292 374 S C 0.220 174.836 174.600 0.026 0.000 1.133 374 S CA -0.558 57.664 58.200 0.037 0.000 0.998 374 S CB 1.862 65.078 63.200 0.026 0.000 1.087 374 S HN 0.363 nan 8.310 nan 0.000 0.551 375 D N 0.778 121.193 120.400 0.025 0.000 2.363 375 D HA 0.217 4.123 4.640 -1.224 0.000 0.226 375 D C 0.280 176.582 176.300 0.002 0.000 1.020 375 D CA 0.426 54.436 54.000 0.017 0.000 0.892 375 D CB -0.010 40.802 40.800 0.020 0.000 0.900 375 D HN 0.386 nan 8.370 nan 0.000 0.531 376 S N 0.095 115.790 115.700 -0.009 0.000 2.748 376 S HA 0.303 4.039 4.470 -1.224 0.000 0.299 376 S C 0.112 174.681 174.600 -0.052 0.000 1.119 376 S CA -0.845 57.339 58.200 -0.026 0.000 0.997 376 S CB 0.818 64.001 63.200 -0.028 0.000 1.223 376 S HN 0.005 nan 8.310 nan 0.000 0.541 377 N N 2.980 121.638 118.700 -0.070 0.000 2.431 377 N HA 0.234 4.239 4.740 -1.224 0.000 0.265 377 N C -1.030 174.388 175.510 -0.153 0.000 1.184 377 N CA 0.289 53.274 53.050 -0.108 0.000 0.943 377 N CB -0.089 38.335 38.487 -0.104 0.000 1.080 377 N HN 0.420 nan 8.380 nan 0.000 0.477 378 D N 1.481 121.760 120.400 -0.202 0.000 2.269 378 D HA 0.382 4.288 4.640 -1.224 0.000 0.244 378 D C 0.055 176.111 176.300 -0.406 0.000 0.992 378 D CA -0.404 53.440 54.000 -0.259 0.000 0.894 378 D CB 1.970 42.642 40.800 -0.214 0.000 1.248 378 D HN 0.204 nan 8.370 nan 0.000 0.468 379 L N 2.010 122.927 121.223 -0.510 0.000 2.294 379 L HA 0.486 4.092 4.340 -1.224 0.000 0.283 379 L C -0.241 176.398 176.870 -0.385 0.000 1.015 379 L CA -0.493 53.839 54.840 -0.848 0.000 0.831 379 L CB 0.921 41.967 42.059 -1.688 0.000 1.217 379 L HN 0.138 nan 8.230 nan 0.000 0.420 380 I N 3.373 123.891 120.570 -0.087 0.000 2.389 380 I HA 0.295 3.731 4.170 -1.224 0.000 0.288 380 I C -0.381 175.981 176.117 0.408 0.000 0.999 380 I CA -0.517 60.858 61.300 0.125 0.000 1.129 380 I CB 2.076 40.081 38.000 0.009 0.000 1.288 380 I HN 0.537 nan 8.210 nan 0.000 0.444 381 Q N 5.360 125.349 119.800 0.314 0.000 2.341 381 Q HA 0.593 4.199 4.340 -1.224 0.000 0.268 381 Q C -0.483 175.569 176.000 0.087 0.000 1.013 381 Q CA -0.439 55.462 55.803 0.163 0.000 0.798 381 Q CB 1.877 30.646 28.738 0.052 0.000 1.253 381 Q HN 0.757 nan 8.270 nan 0.000 0.457 382 G N 1.701 110.543 108.800 0.070 0.000 2.504 382 G HA2 0.581 3.806 3.960 -1.224 0.000 0.288 382 G HA3 0.581 3.806 3.960 -1.224 0.000 0.288 382 G C -0.059 174.841 174.900 0.001 0.000 1.182 382 G CA -0.279 44.838 45.100 0.028 0.000 0.894 382 G HN 0.734 nan 8.290 nan 0.000 0.521 383 G N -1.077 107.722 108.800 -0.002 0.000 2.510 383 G HA2 0.385 3.611 3.960 -1.224 0.000 0.280 383 G HA3 0.385 3.611 3.960 -1.224 0.000 0.280 383 G C 1.262 176.152 174.900 -0.017 0.000 1.386 383 G CA 0.603 45.704 45.100 0.002 0.000 1.047 383 G HN 1.106 nan 8.290 nan 0.000 0.527 384 S N -1.429 114.265 115.700 -0.009 0.000 2.558 384 S HA 0.257 3.993 4.470 -1.224 0.000 0.217 384 S C 1.293 175.885 174.600 -0.014 0.000 0.975 384 S CA 0.423 58.612 58.200 -0.018 0.000 0.912 384 S CB -0.048 63.145 63.200 -0.012 0.000 0.776 384 S HN 0.835 nan 8.310 nan 0.000 0.526 385 G N 1.645 110.443 108.800 -0.004 0.000 2.531 385 G HA2 0.401 3.627 3.960 -1.224 0.000 0.253 385 G HA3 0.401 3.627 3.960 -1.224 0.000 0.253 385 G C -0.555 174.326 174.900 -0.032 0.000 1.439 385 G CA -0.891 44.212 45.100 0.005 0.000 1.056 385 G HN 0.362 nan 8.290 nan 0.000 0.555 386 N N 0.961 119.639 118.700 -0.038 0.000 2.434 386 N HA 0.406 4.412 4.740 -1.224 0.000 0.272 386 N C -1.398 173.954 175.510 -0.264 0.000 1.040 386 N CA -0.072 52.904 53.050 -0.123 0.000 0.956 386 N CB 1.660 40.115 38.487 -0.054 0.000 1.108 386 N HN 0.361 nan 8.380 nan 0.000 0.481 387 D N 0.496 120.639 120.400 -0.429 0.000 2.671 387 D HA 0.331 4.237 4.640 -1.224 0.000 0.232 387 D C -1.070 174.755 176.300 -0.792 0.000 1.114 387 D CA -0.338 53.393 54.000 -0.448 0.000 0.858 387 D CB 1.301 41.969 40.800 -0.220 0.000 1.544 387 D HN 0.342 nan 8.370 nan 0.000 0.471 388 Y N 1.112 121.075 120.300 -0.562 0.000 2.388 388 Y HA 0.440 4.255 4.550 -1.225 0.000 0.328 388 Y C -0.560 175.116 175.900 -0.373 0.000 0.963 388 Y CA -0.834 56.785 58.100 -0.802 0.000 1.240 388 Y CB 0.942 38.497 38.460 -1.507 0.000 1.118 388 Y HN 0.081 nan 8.280 nan 0.000 0.484 389 L N 3.667 124.927 121.223 0.063 0.000 2.313 389 L HA 0.549 4.155 4.340 -1.224 0.000 0.283 389 L C -0.397 176.778 176.870 0.509 0.000 1.013 389 L CA -0.633 54.381 54.840 0.291 0.000 0.816 389 L CB 2.088 44.269 42.059 0.203 0.000 1.236 389 L HN 0.584 nan 8.230 nan 0.000 0.419 390 E N 1.537 122.080 120.200 0.572 0.000 2.216 390 E HA 0.338 3.954 4.350 -1.224 0.000 0.260 390 E C 0.495 177.330 176.600 0.392 0.000 0.880 390 E CA -0.352 56.313 56.400 0.443 0.000 0.765 390 E CB 1.877 31.785 29.700 0.347 0.000 1.174 390 E HN 0.733 nan 8.360 nan 0.000 0.417 391 G N 3.842 112.913 108.800 0.451 0.000 2.430 391 G HA2 -0.076 3.150 3.960 -1.224 0.000 0.216 391 G HA3 -0.076 3.150 3.960 -1.224 0.000 0.216 391 G C 0.525 175.512 174.900 0.145 0.000 1.146 391 G CA 0.418 45.710 45.100 0.319 0.000 0.793 391 G HN 0.714 nan 8.290 nan 0.000 0.537 392 R N -0.723 119.852 120.500 0.125 0.000 3.724 392 R HA -0.184 3.422 4.340 -1.224 0.000 0.526 392 R C 0.878 177.210 176.300 0.054 0.000 0.241 392 R CA 0.445 56.586 56.100 0.069 0.000 1.638 392 R CB -1.538 28.797 30.300 0.058 0.000 0.980 392 R HN 0.627 nan 8.270 nan 0.000 0.575 393 A N 0.346 123.186 122.820 0.032 0.000 2.346 393 A HA 0.517 4.103 4.320 -1.224 0.000 0.255 393 A C 0.839 178.429 177.584 0.010 0.000 1.113 393 A CA 0.647 52.697 52.037 0.020 0.000 0.798 393 A CB -0.336 18.672 19.000 0.013 0.000 1.073 393 A HN 1.690 nan 8.150 nan 0.000 0.502 394 G N -0.375 108.425 108.800 0.000 0.000 2.730 394 G HA2 -0.069 3.156 3.960 -1.224 0.000 0.686 394 G HA3 -0.069 3.156 3.960 -1.224 0.000 0.686 394 G C -0.789 174.099 174.900 -0.019 0.000 1.343 394 G CA -0.339 44.751 45.100 -0.017 0.000 0.826 394 G HN 0.994 nan 8.290 nan 0.000 0.582 395 N N 1.971 120.649 118.700 -0.037 0.000 2.415 395 N HA 0.386 4.391 4.740 -1.224 0.000 0.246 395 N C -0.649 174.809 175.510 -0.087 0.000 1.078 395 N CA -0.165 52.863 53.050 -0.037 0.000 0.942 395 N CB 0.948 39.413 38.487 -0.037 0.000 1.140 395 N HN 0.502 nan 8.380 nan 0.000 0.501 396 D N 0.757 121.097 120.400 -0.099 0.000 2.198 396 D HA 0.354 4.260 4.640 -1.224 0.000 0.247 396 D C -0.127 175.981 176.300 -0.319 0.000 1.010 396 D CA -0.044 53.786 54.000 -0.284 0.000 0.880 396 D CB 1.704 42.270 40.800 -0.390 0.000 1.209 396 D HN 0.179 nan 8.370 nan 0.000 0.451 397 T N 1.572 115.872 114.554 -0.424 0.000 2.792 397 T HA 0.479 4.095 4.350 -1.224 0.000 0.280 397 T C -0.441 174.118 174.700 -0.236 0.000 0.990 397 T CA -0.499 61.476 62.100 -0.208 0.000 0.960 397 T CB 0.395 69.220 68.868 -0.072 0.000 0.939 397 T HN 0.091 nan 8.240 nan 0.000 0.439 398 F N 1.834 121.899 119.950 0.192 0.000 2.480 398 F HA 0.673 4.466 4.527 -1.223 0.000 0.329 398 F C 0.842 176.746 175.800 0.174 0.000 1.091 398 F CA -1.144 56.982 58.000 0.210 0.000 0.972 398 F CB 1.676 40.739 39.000 0.105 0.000 1.150 398 F HN 0.182 nan 8.300 nan 0.000 0.467 399 R N 0.792 121.472 120.500 0.300 0.000 2.854 399 R HA 0.606 4.212 4.340 -1.224 0.000 0.271 399 R C -1.835 174.496 176.300 0.051 0.000 0.994 399 R CA -1.100 55.023 56.100 0.038 0.000 0.945 399 R CB 2.486 32.601 30.300 -0.308 0.000 1.194 399 R HN 0.761 nan 8.270 nan 0.000 0.476 400 D N -0.894 119.503 120.400 -0.006 0.000 2.803 400 D HA 0.245 4.150 4.640 -1.224 0.000 0.218 400 D C 0.084 176.370 176.300 -0.023 0.000 1.245 400 D CA -0.427 53.567 54.000 -0.010 0.000 0.821 400 D CB 1.600 42.395 40.800 -0.009 0.000 1.626 400 D HN 0.532 nan 8.370 nan 0.000 0.487 401 G N 1.151 109.932 108.800 -0.032 0.000 2.985 401 G HA2 0.535 3.760 3.960 -1.224 0.000 0.209 401 G HA3 0.535 3.760 3.960 -1.224 0.000 0.209 401 G C 0.779 175.660 174.900 -0.033 0.000 1.165 401 G CA 0.453 45.535 45.100 -0.031 0.000 0.776 401 G HN 0.896 nan 8.290 nan 0.000 0.541 402 G N -2.170 106.603 108.800 -0.045 0.000 2.315 402 G HA2 0.513 3.738 3.960 -1.224 0.000 0.296 402 G HA3 0.513 3.738 3.960 -1.224 0.000 0.296 402 G C 0.350 175.177 174.900 -0.122 0.000 1.289 402 G CA 0.294 45.347 45.100 -0.078 0.000 0.996 402 G HN 1.901 nan 8.290 nan 0.000 0.487 403 G N -1.602 107.083 108.800 -0.191 0.000 2.584 403 G HA2 0.226 3.451 3.960 -1.224 0.000 0.229 403 G HA3 0.226 3.451 3.960 -1.224 0.000 0.229 403 G C -0.479 174.149 174.900 -0.453 0.000 1.320 403 G CA 0.333 45.299 45.100 -0.224 0.000 0.891 403 G HN 1.757 nan 8.290 nan 0.000 0.573 404 Y N 1.856 122.106 120.300 -0.083 0.000 2.352 404 Y HA 0.659 4.475 4.550 -1.224 0.000 0.339 404 Y C 0.801 176.568 175.900 -0.221 0.000 0.992 404 Y CA -0.684 57.355 58.100 -0.102 0.000 1.100 404 Y CB 1.885 40.303 38.460 -0.070 0.000 1.192 404 Y HN 0.628 nan 8.280 nan 0.000 0.458 405 N N 1.250 119.872 118.700 -0.131 0.000 2.494 405 N HA 0.572 4.578 4.740 -1.224 0.000 0.270 405 N C -1.898 173.454 175.510 -0.262 0.000 1.285 405 N CA -0.696 52.164 53.050 -0.317 0.000 0.812 405 N CB 2.796 41.142 38.487 -0.236 0.000 1.557 405 N HN 0.223 nan 8.380 nan 0.000 0.487 406 V N 1.671 121.369 119.914 -0.359 0.000 2.540 406 V HA 0.568 3.954 4.120 -1.224 0.000 0.302 406 V C -0.265 175.811 176.094 -0.030 0.000 1.035 406 V CA -0.602 61.648 62.300 -0.083 0.000 0.873 406 V CB 1.719 33.649 31.823 0.178 0.000 0.992 406 V HN 0.525 nan 8.190 nan 0.000 0.428 407 I N 5.749 126.280 120.570 -0.066 0.000 2.439 407 I HA 0.441 3.877 4.170 -1.224 0.000 0.285 407 I C -0.841 175.157 176.117 -0.199 0.000 1.021 407 I CA -0.370 60.786 61.300 -0.239 0.000 1.091 407 I CB 1.729 39.430 38.000 -0.498 0.000 1.242 407 I HN 0.346 nan 8.210 nan 0.000 0.439 408 L N 5.774 126.942 121.223 -0.092 0.000 2.277 408 L HA 0.405 4.010 4.340 -1.224 0.000 0.284 408 L C 1.459 178.314 176.870 -0.024 0.000 1.028 408 L CA -0.305 54.502 54.840 -0.056 0.000 0.835 408 L CB 1.512 43.537 42.059 -0.057 0.000 1.215 408 L HN 0.796 nan 8.230 nan 0.000 0.425 409 G N 2.077 110.865 108.800 -0.020 0.000 2.432 409 G HA2 0.154 3.379 3.960 -1.224 0.000 0.219 409 G HA3 0.154 3.379 3.960 -1.224 0.000 0.219 409 G C 0.919 175.924 174.900 0.174 0.000 1.135 409 G CA 0.654 45.864 45.100 0.184 0.000 0.767 409 G HN 0.910 nan 8.290 nan 0.000 0.550 410 G N -0.333 108.514 108.800 0.078 0.000 2.601 410 G HA2 0.211 3.437 3.960 -1.224 0.000 0.261 410 G HA3 0.211 3.437 3.960 -1.224 0.000 0.261 410 G C 0.567 175.493 174.900 0.043 0.000 1.289 410 G CA 0.336 45.466 45.100 0.049 0.000 0.920 410 G HN 1.502 nan 8.290 nan 0.000 0.571 411 A N -0.521 122.317 122.820 0.031 0.000 2.475 411 A HA 0.743 4.329 4.320 -1.224 0.000 0.239 411 A C 1.868 179.470 177.584 0.029 0.000 1.087 411 A CA 2.306 54.357 52.037 0.023 0.000 0.779 411 A CB -0.352 18.657 19.000 0.015 0.000 1.036 411 A HN 3.033 nan 8.150 nan 0.000 0.506 412 G N 0.346 109.158 108.800 0.019 0.000 2.631 412 G HA2 -0.089 3.137 3.960 -1.224 0.000 0.504 412 G HA3 -0.089 3.137 3.960 -1.224 0.000 0.504 412 G C -0.741 174.172 174.900 0.022 0.000 1.306 412 G CA -0.290 44.820 45.100 0.017 0.000 0.897 412 G HN 1.058 nan 8.290 nan 0.000 0.520 413 N N 2.131 120.841 118.700 0.017 0.000 2.485 413 N HA 0.333 4.339 4.740 -1.224 0.000 0.243 413 N C -0.353 175.176 175.510 0.033 0.000 0.987 413 N CA -0.414 52.649 53.050 0.020 0.000 0.940 413 N CB 0.645 39.137 38.487 0.008 0.000 1.122 413 N HN 0.534 nan 8.380 nan 0.000 0.509 414 N N 0.731 119.470 118.700 0.065 0.000 2.443 414 N HA 0.468 4.474 4.740 -1.224 0.000 0.293 414 N C -0.430 175.154 175.510 0.124 0.000 1.159 414 N CA -0.143 52.977 53.050 0.116 0.000 0.904 414 N CB 1.806 40.427 38.487 0.224 0.000 1.214 414 N HN 0.207 nan 8.380 nan 0.000 0.513 415 T N 0.917 115.569 114.554 0.164 0.000 2.886 415 T HA 0.355 3.971 4.350 -1.224 0.000 0.292 415 T C -0.810 174.039 174.700 0.249 0.000 1.012 415 T CA -0.497 61.693 62.100 0.150 0.000 0.982 415 T CB 1.677 70.600 68.868 0.091 0.000 1.018 415 T HN 0.213 nan 8.240 nan 0.000 0.451 416 L N 3.365 124.689 121.223 0.168 0.000 2.280 416 L HA 0.578 4.184 4.340 -1.224 0.000 0.287 416 L C -0.774 176.145 176.870 0.081 0.000 1.023 416 L CA -0.535 54.396 54.840 0.151 0.000 0.819 416 L CB 1.027 43.118 42.059 0.053 0.000 1.212 416 L HN 0.544 nan 8.230 nan 0.000 0.420 417 D N 4.501 124.963 120.400 0.103 0.000 2.396 417 D HA 0.207 4.112 4.640 -1.224 0.000 0.225 417 D C 0.734 177.023 176.300 -0.018 0.000 1.121 417 D CA -0.117 53.915 54.000 0.053 0.000 0.853 417 D CB 0.799 41.661 40.800 0.104 0.000 1.043 417 D HN 0.629 nan 8.370 nan 0.000 0.500 418 L N 2.778 123.953 121.223 -0.080 0.000 2.492 418 L HA 0.017 3.623 4.340 -1.224 0.000 0.223 418 L C 1.170 178.041 176.870 0.002 0.000 1.132 418 L CA 0.129 54.874 54.840 -0.157 0.000 0.850 418 L CB -0.406 41.366 42.059 -0.478 0.000 0.966 418 L HN 0.544 nan 8.230 nan 0.000 0.454 419 Q N -0.591 119.213 119.800 0.007 0.000 2.406 419 Q HA -0.232 3.373 4.340 -1.224 0.000 0.236 419 Q C -0.344 175.690 176.000 0.057 0.000 0.799 419 Q CA 1.237 57.050 55.803 0.016 0.000 1.286 419 Q CB -1.176 27.547 28.738 -0.025 0.000 1.615 419 Q HN 0.541 nan 8.270 nan 0.000 0.621 420 K N -0.746 119.725 120.400 0.118 0.000 2.507 420 K HA 0.511 4.097 4.320 -1.224 0.000 0.284 420 K C -0.754 175.949 176.600 0.173 0.000 1.038 420 K CA -0.627 55.750 56.287 0.150 0.000 0.903 420 K CB 1.677 34.322 32.500 0.242 0.000 1.531 420 K HN -0.029 nan 8.250 nan 0.000 0.430 421 S N 0.256 116.038 115.700 0.137 0.000 2.564 421 S HA 0.021 3.757 4.470 -1.224 0.000 0.278 421 S C 1.096 175.831 174.600 0.226 0.000 1.333 421 S CA -0.400 57.868 58.200 0.115 0.000 1.048 421 S CB 1.119 64.346 63.200 0.044 0.000 0.900 421 S HN 0.463 nan 8.310 nan 0.000 0.505 422 V N 5.022 125.033 119.914 0.162 0.000 2.828 422 V HA -0.172 3.214 4.120 -1.224 0.000 0.260 422 V C 1.673 177.927 176.094 0.267 0.000 1.101 422 V CA 2.484 64.912 62.300 0.214 0.000 1.123 422 V CB -1.083 30.748 31.823 0.014 0.000 0.704 422 V HN 0.920 nan 8.190 nan 0.000 0.493 423 N N -0.219 118.570 118.700 0.147 0.000 2.396 423 N HA -0.105 3.900 4.740 -1.224 0.000 0.180 423 N C 1.545 177.086 175.510 0.051 0.000 1.028 423 N CA 1.354 54.461 53.050 0.096 0.000 0.893 423 N CB -0.083 38.428 38.487 0.040 0.000 0.967 423 N HN 0.694 nan 8.380 nan 0.000 0.440 424 T N -2.176 112.392 114.554 0.023 0.000 3.129 424 T HA 0.144 3.759 4.350 -1.224 0.000 0.251 424 T C 0.078 174.518 174.700 -0.434 0.000 1.117 424 T CA 0.142 62.117 62.100 -0.208 0.000 1.034 424 T CB -0.275 68.395 68.868 -0.330 0.000 0.968 424 T HN -0.085 nan 8.240 nan 0.000 0.526 425 F N 1.003 120.894 119.950 -0.100 0.000 2.577 425 F HA 0.615 4.407 4.527 -1.224 0.000 0.318 425 F C -0.438 175.137 175.800 -0.374 0.000 1.065 425 F CA -1.395 56.426 58.000 -0.298 0.000 0.929 425 F CB 1.786 40.513 39.000 -0.455 0.000 1.237 425 F HN -0.060 nan 8.300 nan 0.000 0.468 426 D N 1.265 121.488 120.400 -0.293 0.000 2.342 426 D HA 0.474 4.380 4.640 -1.224 0.000 0.243 426 D C -1.241 174.763 176.300 -0.493 0.000 1.019 426 D CA -0.152 53.724 54.000 -0.206 0.000 0.864 426 D CB 2.134 42.943 40.800 0.015 0.000 1.315 426 D HN 0.136 nan 8.370 nan 0.000 0.468 427 F N 0.617 120.615 119.950 0.080 0.000 2.529 427 F HA 0.651 4.444 4.527 -1.224 0.000 0.320 427 F C 0.301 176.057 175.800 -0.074 0.000 1.118 427 F CA -0.768 57.272 58.000 0.067 0.000 0.915 427 F CB 1.996 41.119 39.000 0.205 0.000 1.161 427 F HN 0.329 nan 8.300 nan 0.000 0.445 428 A N 2.449 125.125 122.820 -0.239 0.000 2.485 428 A HA 0.824 4.409 4.320 -1.224 0.000 0.292 428 A C -1.511 175.763 177.584 -0.516 0.000 1.147 428 A CA -0.696 51.002 52.037 -0.566 0.000 0.750 428 A CB 2.103 20.270 19.000 -1.388 0.000 1.331 428 A HN 0.656 nan 8.150 nan 0.000 0.419 429 N N 0.003 118.322 118.700 -0.635 0.000 2.503 429 N HA 0.197 4.203 4.740 -1.224 0.000 0.287 429 N C -1.227 173.878 175.510 -0.675 0.000 1.096 429 N CA -0.138 52.521 53.050 -0.651 0.000 0.936 429 N CB 1.962 39.801 38.487 -1.080 0.000 1.570 429 N HN 0.657 nan 8.380 nan 0.000 0.504 430 D N 1.923 121.842 120.400 -0.802 0.000 2.340 430 D HA 0.164 4.069 4.640 -1.224 0.000 0.220 430 D C 1.218 177.263 176.300 -0.425 0.000 1.039 430 D CA 0.783 54.143 54.000 -1.067 0.000 0.866 430 D CB -0.235 39.892 40.800 -1.123 0.000 0.913 430 D HN 0.820 nan 8.370 nan 0.000 0.523 431 G N -0.120 108.507 108.800 -0.288 0.000 2.184 431 G HA2 -0.263 2.963 3.960 -1.224 0.000 0.264 431 G HA3 -0.263 2.963 3.960 -1.224 0.000 0.264 431 G C 0.839 175.672 174.900 -0.112 0.000 0.975 431 G CA 0.350 45.361 45.100 -0.148 0.000 0.642 431 G HN 0.968 nan 8.290 nan 0.000 0.536 432 A N -0.390 122.349 122.820 -0.135 0.000 2.637 432 A HA 0.698 4.284 4.320 -1.224 0.000 0.293 432 A C 2.023 179.555 177.584 -0.086 0.000 1.216 432 A CA 1.350 53.337 52.037 -0.083 0.000 0.956 432 A CB -0.362 18.604 19.000 -0.057 0.000 1.174 432 A HN 2.310 nan 8.150 nan 0.000 0.525 433 G N -0.122 108.612 108.800 -0.110 0.000 2.175 433 G HA2 -0.249 2.977 3.960 -1.224 0.000 0.244 433 G HA3 -0.249 2.977 3.960 -1.224 0.000 0.244 433 G C -0.139 174.669 174.900 -0.153 0.000 0.982 433 G CA 0.116 45.153 45.100 -0.105 0.000 0.641 433 G HN 0.633 nan 8.290 nan 0.000 0.527 434 N N 0.187 118.760 118.700 -0.213 0.000 2.422 434 N HA 0.579 4.584 4.740 -1.224 0.000 0.266 434 N C -0.586 174.666 175.510 -0.431 0.000 1.007 434 N CA -0.559 52.275 53.050 -0.359 0.000 0.941 434 N CB 1.906 40.129 38.487 -0.440 0.000 1.115 434 N HN 0.254 nan 8.380 nan 0.000 0.492 435 L N 3.908 124.892 121.223 -0.399 0.000 2.280 435 L HA 0.432 4.037 4.340 -1.224 0.000 0.287 435 L C -1.552 175.135 176.870 -0.304 0.000 1.023 435 L CA -0.625 54.046 54.840 -0.282 0.000 0.819 435 L CB -0.036 41.947 42.059 -0.126 0.000 1.212 435 L HN 0.452 nan 8.230 nan 0.000 0.420 436 Y N 4.111 124.327 120.300 -0.139 0.000 2.323 436 Y HA 0.615 4.431 4.550 -1.223 0.000 0.331 436 Y C -0.040 175.823 175.900 -0.061 0.000 1.092 436 Y CA -0.747 57.312 58.100 -0.068 0.000 1.150 436 Y CB 1.663 40.077 38.460 -0.077 0.000 1.200 436 Y HN 0.292 nan 8.280 nan 0.000 0.472 437 V N 4.582 124.556 119.914 0.099 0.000 2.407 437 V HA 0.462 3.848 4.120 -1.224 0.000 0.291 437 V C -0.476 175.634 176.094 0.027 0.000 1.018 437 V CA -1.073 61.202 62.300 -0.042 0.000 0.842 437 V CB 1.464 33.251 31.823 -0.060 0.000 0.996 437 V HN 0.708 nan 8.190 nan 0.000 0.426 438 R N 3.148 123.647 120.500 -0.001 0.000 2.343 438 R HA 0.483 4.089 4.340 -1.224 0.000 0.320 438 R C -0.458 175.843 176.300 0.001 0.000 0.956 438 R CA -0.551 55.582 56.100 0.054 0.000 0.836 438 R CB 1.249 31.635 30.300 0.144 0.000 1.151 438 R HN 0.939 nan 8.270 nan 0.000 0.450 439 D N 3.315 123.676 120.400 -0.066 0.000 2.433 439 D HA 0.107 4.013 4.640 -1.224 0.000 0.255 439 D C 0.834 176.933 176.300 -0.335 0.000 1.226 439 D CA -0.251 53.538 54.000 -0.352 0.000 1.015 439 D CB 0.723 41.352 40.800 -0.286 0.000 1.091 439 D HN 0.418 nan 8.370 nan 0.000 0.527 440 A N 0.054 122.616 122.820 -0.430 0.000 2.015 440 A HA -0.156 3.430 4.320 -1.224 0.000 0.219 440 A C 1.554 179.029 177.584 -0.181 0.000 1.163 440 A CA 0.892 52.761 52.037 -0.279 0.000 0.646 440 A CB -0.671 18.162 19.000 -0.278 0.000 0.806 440 A HN 0.545 nan 8.150 nan 0.000 0.448 441 N N -0.891 117.703 118.700 -0.177 0.000 2.398 441 N HA 0.168 4.174 4.740 -1.224 0.000 0.188 441 N C 1.145 176.591 175.510 -0.106 0.000 1.122 441 N CA 1.050 54.026 53.050 -0.123 0.000 0.866 441 N CB 0.487 38.906 38.487 -0.113 0.000 0.970 441 N HN 0.630 nan 8.380 nan 0.000 0.462 442 G N -0.709 108.017 108.800 -0.123 0.000 2.176 442 G HA2 -0.205 3.021 3.960 -1.224 0.000 0.232 442 G HA3 -0.205 3.021 3.960 -1.224 0.000 0.232 442 G C 0.500 175.300 174.900 -0.166 0.000 0.986 442 G CA -0.105 44.944 45.100 -0.084 0.000 0.643 442 G HN 0.587 nan 8.290 nan 0.000 0.522 443 G N -0.050 108.542 108.800 -0.346 0.000 2.441 443 G HA2 0.503 3.729 3.960 -1.224 0.000 0.243 443 G HA3 0.503 3.729 3.960 -1.224 0.000 0.243 443 G C -0.031 174.623 174.900 -0.411 0.000 1.281 443 G CA -0.004 44.635 45.100 -0.768 0.000 0.854 443 G HN 0.711 nan 8.290 nan 0.000 0.560 444 I N 0.814 121.157 120.570 -0.379 0.000 2.465 444 I HA 0.240 3.675 4.170 -1.224 0.000 0.291 444 I C -0.324 175.812 176.117 0.032 0.000 1.014 444 I CA -0.674 60.638 61.300 0.021 0.000 1.093 444 I CB 2.141 40.288 38.000 0.245 0.000 1.267 444 I HN 0.293 nan 8.210 nan 0.000 0.431 445 C N 6.821 126.146 119.300 0.041 0.000 2.303 445 C HA 0.541 4.267 4.460 -1.224 0.000 0.326 445 C C 0.301 175.301 174.990 0.017 0.000 1.285 445 C CA -0.627 58.386 59.018 -0.009 0.000 1.675 445 C CB 0.159 27.867 27.740 -0.053 0.000 2.289 445 C HN 0.509 nan 8.230 nan 0.000 0.512 446 I N 4.022 124.576 120.570 -0.026 0.000 2.315 446 I HA 0.392 3.828 4.170 -1.224 0.000 0.291 446 I C 0.591 176.603 176.117 -0.175 0.000 1.006 446 I CA 0.427 61.634 61.300 -0.155 0.000 1.265 446 I CB 1.141 39.099 38.000 -0.071 0.000 1.387 446 I HN 0.771 nan 8.210 nan 0.000 0.475 447 T N 3.895 118.299 114.554 -0.250 0.000 2.893 447 T HA 0.680 4.296 4.350 -1.224 0.000 0.291 447 T C -0.399 174.191 174.700 -0.184 0.000 1.028 447 T CA -0.980 61.007 62.100 -0.188 0.000 0.995 447 T CB 2.133 70.903 68.868 -0.163 0.000 1.051 447 T HN 0.534 nan 8.240 nan 0.000 0.470 448 R N 1.122 121.542 120.500 -0.134 0.000 2.795 448 R HA 0.463 4.069 4.340 -1.224 0.000 0.275 448 R C -0.890 175.370 176.300 -0.068 0.000 0.981 448 R CA -0.873 55.166 56.100 -0.101 0.000 0.917 448 R CB 1.258 31.511 30.300 -0.078 0.000 1.202 448 R HN 0.849 nan 8.270 nan 0.000 0.469 449 D N 1.164 121.537 120.400 -0.045 0.000 2.772 449 D HA -0.195 3.710 4.640 -1.224 0.000 0.233 449 D C -0.604 175.704 176.300 0.013 0.000 1.143 449 D CA 1.187 55.181 54.000 -0.011 0.000 0.700 449 D CB -0.764 40.038 40.800 0.003 0.000 1.076 449 D HN 0.398 nan 8.370 nan 0.000 0.430 450 I N 0.242 120.810 120.570 -0.004 0.000 2.354 450 I HA 0.299 3.735 4.170 -1.224 0.000 0.286 450 I C 1.645 177.770 176.117 0.015 0.000 1.007 450 I CA -0.198 61.117 61.300 0.024 0.000 1.167 450 I CB 1.808 39.812 38.000 0.006 0.000 1.320 450 I HN 0.028 nan 8.210 nan 0.000 0.458 451 G N 3.679 112.494 108.800 0.026 0.000 2.662 451 G HA2 0.102 3.327 3.960 -1.224 0.000 0.212 451 G HA3 0.102 3.327 3.960 -1.224 0.000 0.212 451 G C 0.319 175.226 174.900 0.011 0.000 1.141 451 G CA 0.177 45.286 45.100 0.014 0.000 0.797 451 G HN 0.516 nan 8.290 nan 0.000 0.531 452 S N 0.029 115.742 115.700 0.022 0.000 2.541 452 S HA 0.644 4.379 4.470 -1.224 0.000 0.280 452 S C -1.194 173.421 174.600 0.026 0.000 1.112 452 S CA -0.563 57.650 58.200 0.021 0.000 0.925 452 S CB 2.268 65.483 63.200 0.024 0.000 1.067 452 S HN 0.011 nan 8.310 nan 0.000 0.479 453 I N 2.533 123.113 120.570 0.017 0.000 2.433 453 I HA 0.460 3.896 4.170 -1.224 0.000 0.292 453 I C -0.662 175.504 176.117 0.082 0.000 1.001 453 I CA -0.732 60.560 61.300 -0.012 0.000 1.119 453 I CB 1.637 39.531 38.000 -0.177 0.000 1.289 453 I HN 0.323 nan 8.210 nan 0.000 0.438 454 V N 5.523 125.472 119.914 0.057 0.000 2.417 454 V HA 0.521 3.906 4.120 -1.224 0.000 0.291 454 V C 0.346 176.476 176.094 0.060 0.000 1.024 454 V CA -0.339 62.011 62.300 0.083 0.000 0.861 454 V CB 2.027 33.885 31.823 0.059 0.000 0.985 454 V HN 0.942 nan 8.190 nan 0.000 0.436 455 T N 1.779 116.402 114.554 0.115 0.000 2.924 455 T HA 0.625 4.241 4.350 -1.224 0.000 0.291 455 T C -0.736 173.999 174.700 0.058 0.000 1.045 455 T CA -0.935 61.216 62.100 0.085 0.000 1.015 455 T CB 2.108 71.052 68.868 0.127 0.000 1.103 455 T HN 0.531 nan 8.240 nan 0.000 0.496 456 K N 1.371 121.796 120.400 0.041 0.000 2.367 456 K HA 0.311 3.897 4.320 -1.224 0.000 0.263 456 K C -0.862 175.734 176.600 -0.006 0.000 1.000 456 K CA -0.527 55.765 56.287 0.009 0.000 0.891 456 K CB 0.731 33.235 32.500 0.007 0.000 1.117 456 K HN 0.535 nan 8.250 nan 0.000 0.443 457 E N 5.625 125.798 120.200 -0.044 0.000 2.109 457 E HA 0.154 3.770 4.350 -1.224 0.000 0.278 457 E C -1.982 174.549 176.600 -0.114 0.000 0.954 457 E CA -2.352 54.002 56.400 -0.077 0.000 0.779 457 E CB 1.615 31.248 29.700 -0.111 0.000 1.093 457 E HN 0.471 nan 8.360 nan 0.000 0.401 458 P HA -0.030 nan 4.420 nan 0.000 0.221 458 P C 0.530 177.746 177.300 -0.140 0.000 1.150 458 P CA 0.637 63.680 63.100 -0.096 0.000 0.800 458 P CB 0.573 32.241 31.700 -0.055 0.000 0.787 459 G N -1.440 107.277 108.800 -0.138 0.000 2.932 459 G HA2 0.498 3.724 3.960 -1.224 0.000 0.283 459 G HA3 0.498 3.724 3.960 -1.224 0.000 0.283 459 G C -1.298 173.464 174.900 -0.229 0.000 1.336 459 G CA -0.708 44.312 45.100 -0.133 0.000 1.056 459 G HN -0.136 nan 8.290 nan 0.000 0.522 460 F N 0.716 120.637 119.950 -0.048 0.000 2.464 460 F HA 0.235 4.028 4.527 -1.223 0.000 0.353 460 F C 0.764 176.487 175.800 -0.129 0.000 1.191 460 F CA -0.547 57.411 58.000 -0.068 0.000 1.147 460 F CB 0.764 39.730 39.000 -0.056 0.000 1.294 460 F HN 0.093 nan 8.300 nan 0.000 0.583 461 L N 5.837 126.976 121.223 -0.139 0.000 2.615 461 L HA -0.126 3.480 4.340 -1.224 0.000 0.284 461 L C 0.033 176.545 176.870 -0.597 0.000 1.237 461 L CA -0.363 54.201 54.840 -0.460 0.000 0.905 461 L CB -0.505 41.112 42.059 -0.736 0.000 1.149 461 L HN 0.677 nan 8.230 nan 0.000 0.499 462 W N 3.492 124.869 121.300 0.128 0.000 7.245 462 W HA -0.176 3.750 4.660 -1.224 0.000 0.405 462 W C 1.066 177.604 176.519 0.032 0.000 1.514 462 W CA 0.413 57.805 57.345 0.079 0.000 1.171 462 W CB -2.496 27.013 29.460 0.081 0.000 2.684 462 W HN 1.317 nan 8.180 nan 0.000 1.666 463 G N -1.482 107.438 108.800 0.199 0.000 2.180 463 G HA2 -0.329 2.897 3.960 -1.224 0.000 0.263 463 G HA3 -0.329 2.897 3.960 -1.224 0.000 0.263 463 G C 0.762 175.685 174.900 0.039 0.000 0.989 463 G CA 0.680 45.845 45.100 0.108 0.000 0.692 463 G HN 0.724 nan 8.290 nan 0.000 0.526 464 L N -2.609 118.659 121.223 0.075 0.000 2.638 464 L HA 0.488 4.094 4.340 -1.224 0.000 0.195 464 L C 0.459 177.172 176.870 -0.263 0.000 1.065 464 L CA 0.041 54.719 54.840 -0.269 0.000 0.859 464 L CB 0.242 41.917 42.059 -0.640 0.000 1.269 464 L HN 0.077 nan 8.230 nan 0.000 0.484 465 F N 0.996 121.090 119.950 0.240 0.000 2.449 465 F HA 0.499 4.292 4.527 -1.224 0.000 0.342 465 F C 0.134 175.880 175.800 -0.090 0.000 1.127 465 F CA -0.671 57.390 58.000 0.102 0.000 0.975 465 F CB 1.334 40.355 39.000 0.036 0.000 1.146 465 F HN -0.206 nan 8.300 nan 0.000 0.444 466 K N 2.037 122.398 120.400 -0.065 0.000 2.185 466 K HA 0.423 4.008 4.320 -1.224 0.000 0.240 466 K C -0.286 176.217 176.600 -0.162 0.000 0.983 466 K CA -0.342 55.720 56.287 -0.375 0.000 0.873 466 K CB 1.105 33.014 32.500 -0.984 0.000 1.118 466 K HN 0.772 nan 8.250 nan 0.000 0.441 467 D N 0.031 120.329 120.400 -0.169 0.000 4.089 467 D HA -0.224 3.681 4.640 -1.224 0.000 0.141 467 D C -0.786 175.485 176.300 -0.048 0.000 0.858 467 D CA 1.208 55.154 54.000 -0.090 0.000 1.094 467 D CB -0.731 40.029 40.800 -0.068 0.000 0.550 467 D HN 0.599 nan 8.370 nan 0.000 0.562 468 D N 0.928 121.313 120.400 -0.026 0.000 2.249 468 D HA 0.533 4.439 4.640 -1.224 0.000 0.246 468 D C -0.540 175.739 176.300 -0.035 0.000 1.114 468 D CA -0.098 53.893 54.000 -0.015 0.000 0.854 468 D CB 1.519 42.319 40.800 -0.000 0.000 1.132 468 D HN 0.054 nan 8.370 nan 0.000 0.461 469 V N 2.531 122.414 119.914 -0.050 0.000 2.531 469 V HA 0.363 3.749 4.120 -1.224 0.000 0.301 469 V C 0.152 176.147 176.094 -0.165 0.000 1.034 469 V CA -0.702 61.496 62.300 -0.168 0.000 0.865 469 V CB 2.205 33.897 31.823 -0.218 0.000 0.995 469 V HN 0.462 nan 8.190 nan 0.000 0.424 470 T N 4.220 118.630 114.554 -0.240 0.000 2.749 470 T HA 0.559 4.175 4.350 -1.224 0.000 0.287 470 T C -0.661 173.893 174.700 -0.244 0.000 0.970 470 T CA -0.272 61.747 62.100 -0.134 0.000 0.980 470 T CB 0.267 69.080 68.868 -0.091 0.000 0.924 470 T HN 0.708 nan 8.240 nan 0.000 0.456 471 H N 0.462 119.473 119.070 -0.098 0.000 2.492 471 H HA 0.619 4.441 4.556 -1.224 0.000 0.345 471 H C 0.023 175.293 175.328 -0.097 0.000 1.136 471 H CA -0.606 55.382 56.048 -0.099 0.000 1.202 471 H CB 1.314 30.999 29.762 -0.128 0.000 1.524 471 H HN 0.486 nan 8.280 nan 0.000 0.506 472 S N 1.388 117.106 115.700 0.029 0.000 2.508 472 S HA 0.360 4.095 4.470 -1.224 0.000 0.284 472 S C -0.429 174.156 174.600 -0.024 0.000 1.192 472 S CA -0.798 57.397 58.200 -0.008 0.000 1.070 472 S CB 0.334 63.518 63.200 -0.026 0.000 1.004 472 S HN 0.397 nan 8.310 nan 0.000 0.493 473 V N 5.453 125.356 119.914 -0.018 0.000 2.408 473 V HA 0.485 3.871 4.120 -1.224 0.000 0.267 473 V C 0.708 176.813 176.094 0.018 0.000 1.047 473 V CA -0.251 62.048 62.300 -0.001 0.000 0.937 473 V CB 0.433 32.264 31.823 0.013 0.000 0.999 473 V HN 1.017 nan 8.190 nan 0.000 0.472 474 T N 1.808 116.381 114.554 0.033 0.000 2.883 474 T HA 0.661 4.277 4.350 -1.224 0.000 0.296 474 T C 1.025 175.790 174.700 0.108 0.000 1.117 474 T CA -0.036 62.083 62.100 0.031 0.000 1.006 474 T CB 2.058 70.914 68.868 -0.019 0.000 1.191 474 T HN 0.596 nan 8.240 nan 0.000 0.508 475 A N 1.169 124.039 122.820 0.084 0.000 2.032 475 A HA -0.002 3.583 4.320 -1.224 0.000 0.221 475 A C 2.284 179.979 177.584 0.185 0.000 1.165 475 A CA 2.273 54.384 52.037 0.124 0.000 0.645 475 A CB -1.178 17.856 19.000 0.056 0.000 0.807 475 A HN 1.448 nan 8.150 nan 0.000 0.453 476 S N -2.576 113.160 115.700 0.060 0.000 2.540 476 S HA 0.505 4.241 4.470 -1.224 0.000 0.218 476 S C 0.768 175.227 174.600 -0.234 0.000 0.977 476 S CA 0.758 58.947 58.200 -0.018 0.000 0.918 476 S CB -0.095 63.080 63.200 -0.042 0.000 0.806 476 S HN 1.866 nan 8.310 nan 0.000 0.496 477 G N 0.646 109.154 108.800 -0.487 0.000 2.357 477 G HA2 0.193 3.418 3.960 -1.224 0.000 0.289 477 G HA3 0.193 3.418 3.960 -1.224 0.000 0.289 477 G C -1.785 172.789 174.900 -0.543 0.000 1.302 477 G CA -1.015 43.526 45.100 -0.930 0.000 0.936 477 G HN 0.334 nan 8.290 nan 0.000 0.513 478 L N 0.831 121.778 121.223 -0.460 0.000 2.257 478 L HA 0.486 4.092 4.340 -1.224 0.000 0.290 478 L C 0.360 177.187 176.870 -0.072 0.000 1.044 478 L CA -0.510 54.179 54.840 -0.252 0.000 0.810 478 L CB 1.195 43.020 42.059 -0.389 0.000 1.193 478 L HN 0.348 nan 8.230 nan 0.000 0.425 479 K N 3.212 123.588 120.400 -0.040 0.000 2.206 479 K HA 0.588 4.174 4.320 -1.224 0.000 0.264 479 K C -1.013 175.571 176.600 -0.027 0.000 0.967 479 K CA -0.674 55.588 56.287 -0.042 0.000 0.844 479 K CB 2.657 35.113 32.500 -0.074 0.000 1.099 479 K HN 0.269 nan 8.250 nan 0.000 0.441 480 V N 3.034 122.919 119.914 -0.048 0.000 2.325 480 V HA 0.307 3.692 4.120 -1.224 0.000 0.280 480 V C 0.841 176.872 176.094 -0.105 0.000 1.016 480 V CA -0.222 62.007 62.300 -0.118 0.000 0.818 480 V CB 0.350 32.130 31.823 -0.072 0.000 1.019 480 V HN 1.160 nan 8.190 nan 0.000 0.434 481 G N 5.191 113.937 108.800 -0.090 0.000 2.634 481 G HA2 -0.365 2.861 3.960 -1.224 0.000 0.318 481 G HA3 -0.365 2.861 3.960 -1.224 0.000 0.318 481 G C 1.180 176.026 174.900 -0.089 0.000 1.207 481 G CA 1.118 46.185 45.100 -0.056 0.000 0.987 481 G HN 1.490 nan 8.290 nan 0.000 0.547 482 S N 0.895 116.530 115.700 -0.107 0.000 2.556 482 S HA 0.209 3.944 4.470 -1.224 0.000 0.216 482 S C 0.675 175.131 174.600 -0.241 0.000 0.970 482 S CA 0.585 58.700 58.200 -0.141 0.000 0.912 482 S CB -0.052 63.081 63.200 -0.112 0.000 0.790 482 S HN 0.650 nan 8.310 nan 0.000 0.504 483 N N 1.803 120.279 118.700 -0.373 0.000 2.520 483 N HA 0.357 4.362 4.740 -1.224 0.000 0.273 483 N C -1.079 174.171 175.510 -0.434 0.000 1.155 483 N CA -0.046 52.587 53.050 -0.694 0.000 0.967 483 N CB 1.743 39.256 38.487 -1.623 0.000 1.092 483 N HN 0.082 nan 8.380 nan 0.000 0.457 484 V N 1.478 121.193 119.914 -0.333 0.000 2.588 484 V HA 0.264 3.650 4.120 -1.224 0.000 0.304 484 V C 0.123 176.204 176.094 -0.022 0.000 1.042 484 V CA -0.749 61.462 62.300 -0.149 0.000 0.877 484 V CB 1.948 33.684 31.823 -0.145 0.000 0.996 484 V HN 0.563 nan 8.190 nan 0.000 0.425 485 T N 4.890 119.470 114.554 0.043 0.000 2.762 485 T HA 0.294 3.910 4.350 -1.224 0.000 0.303 485 T C 0.035 174.664 174.700 -0.119 0.000 0.977 485 T CA -0.155 61.983 62.100 0.064 0.000 0.961 485 T CB 0.340 69.248 68.868 0.068 0.000 0.944 485 T HN 0.664 nan 8.240 nan 0.000 0.481 486 Q N 2.112 121.871 119.800 -0.067 0.000 2.392 486 Q HA 0.178 3.784 4.340 -1.224 0.000 0.262 486 Q C -0.412 175.545 176.000 -0.072 0.000 1.003 486 Q CA -0.275 55.451 55.803 -0.129 0.000 0.888 486 Q CB 0.535 29.256 28.738 -0.028 0.000 1.260 486 Q HN 0.549 nan 8.270 nan 0.000 0.435 487 Y N 0.788 121.108 120.300 0.032 0.000 2.426 487 Y HA -0.046 3.769 4.550 -1.224 0.000 0.344 487 Y C 0.324 176.227 175.900 0.005 0.000 1.256 487 Y CA -0.281 57.832 58.100 0.021 0.000 1.451 487 Y CB 0.203 38.651 38.460 -0.020 0.000 1.342 487 Y HN 0.561 nan 8.280 nan 0.000 0.600 488 D N 0.713 121.197 120.400 0.141 0.000 2.472 488 D HA 0.290 4.196 4.640 -1.224 0.000 0.237 488 D C -0.287 176.060 176.300 0.077 0.000 1.141 488 D CA 0.360 54.401 54.000 0.069 0.000 0.875 488 D CB 0.493 41.315 40.800 0.037 0.000 1.192 488 D HN 0.723 nan 8.370 nan 0.000 0.450 489 A N 2.286 125.170 122.820 0.106 0.000 2.591 489 A HA 0.349 3.934 4.320 -1.224 0.000 0.244 489 A C 0.369 178.029 177.584 0.127 0.000 1.031 489 A CA 0.493 52.591 52.037 0.102 0.000 0.767 489 A CB -0.283 18.766 19.000 0.083 0.000 0.942 489 A HN 0.526 nan 8.150 nan 0.000 0.514 490 S N 0.839 116.612 115.700 0.121 0.000 2.618 490 S HA 0.737 4.473 4.470 -1.224 0.000 0.277 490 S C -0.992 173.673 174.600 0.108 0.000 1.138 490 S CA -0.601 57.666 58.200 0.112 0.000 0.844 490 S CB 1.715 65.047 63.200 0.220 0.000 1.127 490 S HN 1.157 nan 8.310 nan 0.000 0.474 491 V N 1.678 121.621 119.914 0.049 0.000 2.483 491 V HA 0.514 3.900 4.120 -1.224 0.000 0.297 491 V C -0.586 175.574 176.094 0.109 0.000 1.027 491 V CA -0.677 61.657 62.300 0.057 0.000 0.855 491 V CB 1.445 33.251 31.823 -0.027 0.000 0.995 491 V HN 0.882 nan 8.190 nan 0.000 0.424 492 K N 3.111 123.602 120.400 0.151 0.000 2.185 492 K HA 0.652 4.237 4.320 -1.224 0.000 0.269 492 K C 0.623 177.292 176.600 0.114 0.000 0.987 492 K CA -0.360 56.037 56.287 0.184 0.000 0.865 492 K CB 2.422 35.014 32.500 0.153 0.000 1.090 492 K HN 0.819 nan 8.250 nan 0.000 0.450 493 G N 1.126 109.998 108.800 0.120 0.000 2.666 493 G HA2 0.309 3.535 3.960 -1.224 0.000 0.207 493 G HA3 0.309 3.535 3.960 -1.224 0.000 0.207 493 G C -0.099 174.847 174.900 0.076 0.000 1.481 493 G CA -0.084 45.069 45.100 0.088 0.000 1.071 493 G HN 0.611 nan 8.290 nan 0.000 0.572 494 T N -4.011 110.585 114.554 0.071 0.000 2.804 494 T HA 0.321 3.937 4.350 -1.224 0.000 0.290 494 T C 0.400 175.138 174.700 0.064 0.000 1.099 494 T CA -0.631 61.504 62.100 0.059 0.000 1.011 494 T CB 1.469 70.367 68.868 0.050 0.000 1.291 494 T HN 0.291 nan 8.240 nan 0.000 0.523 495 N N -0.428 118.305 118.700 0.054 0.000 2.521 495 N HA 0.258 4.263 4.740 -1.224 0.000 0.188 495 N C 0.907 176.451 175.510 0.056 0.000 1.146 495 N CA -0.036 53.048 53.050 0.057 0.000 0.893 495 N CB 0.094 38.610 38.487 0.047 0.000 0.975 495 N HN 0.745 nan 8.380 nan 0.000 0.451 496 G N -0.226 108.607 108.800 0.055 0.000 2.642 496 G HA2 0.627 3.852 3.960 -1.224 0.000 0.291 496 G HA3 0.627 3.852 3.960 -1.224 0.000 0.291 496 G C -0.779 174.160 174.900 0.065 0.000 1.345 496 G CA -0.638 44.495 45.100 0.054 0.000 1.043 496 G HN 0.144 nan 8.290 nan 0.000 0.528 497 A N 0.411 123.269 122.820 0.063 0.000 2.444 497 A HA 0.514 4.099 4.320 -1.224 0.000 0.273 497 A C -0.396 177.235 177.584 0.077 0.000 1.136 497 A CA -0.187 51.894 52.037 0.073 0.000 0.799 497 A CB -0.047 18.992 19.000 0.065 0.000 1.081 497 A HN 0.507 nan 8.150 nan 0.000 0.509 498 D N 1.577 122.031 120.400 0.090 0.000 2.433 498 D HA 0.453 4.359 4.640 -1.224 0.000 0.236 498 D C -0.771 175.593 176.300 0.106 0.000 1.026 498 D CA -0.135 53.915 54.000 0.084 0.000 0.884 498 D CB 1.893 42.737 40.800 0.073 0.000 1.384 498 D HN 0.355 nan 8.370 nan 0.000 0.477 499 T N 1.450 116.055 114.554 0.086 0.000 2.758 499 T HA 0.476 4.092 4.350 -1.224 0.000 0.285 499 T C 0.053 174.739 174.700 -0.023 0.000 0.981 499 T CA -0.505 61.622 62.100 0.045 0.000 0.965 499 T CB 0.478 69.392 68.868 0.075 0.000 0.927 499 T HN 0.076 nan 8.240 nan 0.000 0.448 500 L N 3.640 124.826 121.223 -0.061 0.000 2.346 500 L HA 0.588 4.193 4.340 -1.224 0.000 0.276 500 L C 0.044 176.827 176.870 -0.144 0.000 1.006 500 L CA -1.015 53.777 54.840 -0.080 0.000 0.817 500 L CB 1.822 43.847 42.059 -0.056 0.000 1.272 500 L HN 0.358 nan 8.230 nan 0.000 0.421 501 K N 2.345 122.642 120.400 -0.171 0.000 2.307 501 K HA 0.669 4.255 4.320 -1.224 0.000 0.263 501 K C -0.403 176.011 176.600 -0.310 0.000 0.973 501 K CA -0.560 55.599 56.287 -0.214 0.000 0.846 501 K CB 2.335 34.718 32.500 -0.195 0.000 1.100 501 K HN 0.683 nan 8.250 nan 0.000 0.438 502 A N 2.840 125.489 122.820 -0.284 0.000 2.386 502 A HA 0.184 3.769 4.320 -1.224 0.000 0.248 502 A C -0.550 176.835 177.584 -0.331 0.000 1.082 502 A CA -0.103 51.748 52.037 -0.310 0.000 0.789 502 A CB -0.066 18.774 19.000 -0.266 0.000 1.025 502 A HN 0.744 nan 8.150 nan 0.000 0.490 503 H N 0.155 119.177 119.070 -0.081 0.000 2.505 503 H HA 0.451 4.273 4.556 -1.224 0.000 0.355 503 H C 1.396 176.690 175.328 -0.056 0.000 1.179 503 H CA 0.262 56.279 56.048 -0.053 0.000 1.343 503 H CB 1.256 30.995 29.762 -0.038 0.000 1.501 503 H HN 0.725 nan 8.280 nan 0.000 0.569 504 A N 1.671 124.541 122.820 0.084 0.000 2.024 504 A HA -0.129 3.456 4.320 -1.224 0.000 0.220 504 A C 2.410 180.003 177.584 0.015 0.000 1.164 504 A CA 1.661 53.714 52.037 0.027 0.000 0.643 504 A CB -1.135 17.879 19.000 0.024 0.000 0.806 504 A HN 0.872 nan 8.150 nan 0.000 0.451 505 G N -1.198 107.621 108.800 0.032 0.000 2.598 505 G HA2 0.396 3.622 3.960 -1.224 0.000 0.215 505 G HA3 0.396 3.622 3.960 -1.224 0.000 0.215 505 G C 0.923 175.818 174.900 -0.008 0.000 1.131 505 G CA 0.690 45.796 45.100 0.010 0.000 0.785 505 G HN 1.735 nan 8.290 nan 0.000 0.539 506 G N -0.930 107.858 108.800 -0.019 0.000 2.788 506 G HA2 0.118 3.344 3.960 -1.224 0.000 0.686 506 G HA3 0.118 3.344 3.960 -1.224 0.000 0.686 506 G C -1.530 173.333 174.900 -0.060 0.000 1.147 506 G CA -0.326 44.725 45.100 -0.081 0.000 0.755 506 G HN 0.241 nan 8.290 nan 0.000 0.634 507 D N -0.225 120.081 120.400 -0.158 0.000 2.661 507 D HA 0.457 4.363 4.640 -1.224 0.000 0.228 507 D C -0.645 175.492 176.300 -0.272 0.000 1.183 507 D CA -0.343 53.595 54.000 -0.103 0.000 0.844 507 D CB 1.238 41.974 40.800 -0.105 0.000 1.555 507 D HN 0.371 nan 8.370 nan 0.000 0.453 508 W N 1.680 122.721 121.300 -0.432 0.000 2.304 508 W HA 0.358 4.284 4.660 -1.224 0.000 0.313 508 W C 0.158 176.160 176.519 -0.862 0.000 1.323 508 W CA -0.294 56.606 57.345 -0.742 0.000 1.223 508 W CB 0.275 29.249 29.460 -0.810 0.000 1.237 508 W HN 0.030 nan 8.180 nan 0.000 0.535 509 L N 5.168 125.936 121.223 -0.758 0.000 2.276 509 L HA 0.388 3.993 4.340 -1.224 0.000 0.286 509 L C -0.863 175.709 176.870 -0.496 0.000 1.024 509 L CA -0.797 53.713 54.840 -0.550 0.000 0.826 509 L CB 0.247 42.007 42.059 -0.498 0.000 1.211 509 L HN 0.187 nan 8.230 nan 0.000 0.422 510 F N 1.619 121.547 119.950 -0.036 0.000 2.293 510 F HA 0.325 4.118 4.527 -1.224 0.000 0.370 510 F C 1.350 177.164 175.800 0.024 0.000 1.090 510 F CA -0.798 57.203 58.000 0.001 0.000 1.133 510 F CB 1.262 40.271 39.000 0.015 0.000 1.360 510 F HN 0.519 nan 8.300 nan 0.000 0.489 511 G N 2.860 111.770 108.800 0.184 0.000 2.443 511 G HA2 0.008 3.233 3.960 -1.224 0.000 0.219 511 G HA3 0.008 3.233 3.960 -1.224 0.000 0.219 511 G C 0.909 175.898 174.900 0.149 0.000 1.131 511 G CA 0.267 45.456 45.100 0.148 0.000 0.775 511 G HN 0.615 nan 8.290 nan 0.000 0.547 512 L N -0.983 120.343 121.223 0.172 0.000 7.463 512 L HA -0.222 3.384 4.340 -1.224 0.000 0.090 512 L C -0.128 176.816 176.870 0.123 0.000 1.277 512 L CA 0.889 55.811 54.840 0.136 0.000 1.534 512 L CB -1.089 41.032 42.059 0.104 0.000 2.792 512 L HN 0.128 nan 8.230 nan 0.000 1.138 513 D N 0.649 121.110 120.400 0.100 0.000 2.361 513 D HA 0.458 4.364 4.640 -1.224 0.000 0.239 513 D C 0.622 176.978 176.300 0.092 0.000 1.200 513 D CA 1.199 55.256 54.000 0.095 0.000 0.915 513 D CB 0.548 41.393 40.800 0.076 0.000 1.170 513 D HN 1.015 nan 8.370 nan 0.000 0.444 514 G N 0.578 109.431 108.800 0.089 0.000 2.712 514 G HA2 -0.190 3.035 3.960 -1.224 0.000 0.683 514 G HA3 -0.190 3.035 3.960 -1.224 0.000 0.683 514 G C -0.762 174.195 174.900 0.096 0.000 1.320 514 G CA -0.917 44.232 45.100 0.082 0.000 0.847 514 G HN 0.472 nan 8.290 nan 0.000 0.553 515 N N 2.118 120.870 118.700 0.087 0.000 2.439 515 N HA 0.351 4.357 4.740 -1.224 0.000 0.243 515 N C -0.553 175.021 175.510 0.106 0.000 1.088 515 N CA -0.092 53.015 53.050 0.094 0.000 0.940 515 N CB 0.801 39.332 38.487 0.073 0.000 1.180 515 N HN 0.512 nan 8.380 nan 0.000 0.505 516 D N -0.145 120.333 120.400 0.131 0.000 2.268 516 D HA 0.095 4.001 4.640 -1.224 0.000 0.249 516 D C -0.216 176.208 176.300 0.207 0.000 1.008 516 D CA -0.166 53.926 54.000 0.153 0.000 0.939 516 D CB 1.718 42.603 40.800 0.142 0.000 1.170 516 D HN 0.467 nan 8.370 nan 0.000 0.468 517 H N 1.593 120.712 119.070 0.082 0.000 2.725 517 H HA 0.284 4.105 4.556 -1.224 0.000 0.283 517 H C -1.134 174.250 175.328 0.093 0.000 1.110 517 H CA -0.856 55.240 56.048 0.080 0.000 1.289 517 H CB 0.345 30.143 29.762 0.059 0.000 1.400 517 H HN -0.034 nan 8.280 nan 0.000 0.493 518 L N 7.250 128.574 121.223 0.169 0.000 2.264 518 L HA 0.292 3.898 4.340 -1.224 0.000 0.287 518 L C -0.162 176.810 176.870 0.168 0.000 1.039 518 L CA -0.255 54.669 54.840 0.140 0.000 0.829 518 L CB 0.927 43.169 42.059 0.306 0.000 1.211 518 L HN 0.620 nan 8.230 nan 0.000 0.427 519 I N 3.429 123.987 120.570 -0.020 0.000 2.310 519 I HA 0.327 3.763 4.170 -1.224 0.000 0.287 519 I C 1.154 177.289 176.117 0.030 0.000 1.073 519 I CA -0.348 60.941 61.300 -0.018 0.000 1.216 519 I CB 0.794 38.692 38.000 -0.171 0.000 1.415 519 I HN 0.645 nan 8.210 nan 0.000 0.480 520 G N 3.881 112.813 108.800 0.219 0.000 2.634 520 G HA2 0.507 3.733 3.960 -1.224 0.000 0.255 520 G HA3 0.507 3.733 3.960 -1.224 0.000 0.255 520 G C 0.210 175.128 174.900 0.029 0.000 1.205 520 G CA -0.109 45.066 45.100 0.125 0.000 0.884 520 G HN 0.658 nan 8.290 nan 0.000 0.549 521 G N -2.153 106.628 108.800 -0.032 0.000 3.075 521 G HA2 0.493 3.719 3.960 -1.224 0.000 0.253 521 G HA3 0.493 3.719 3.960 -1.224 0.000 0.253 521 G C 1.070 175.965 174.900 -0.010 0.000 1.353 521 G CA 0.319 45.404 45.100 -0.024 0.000 1.051 521 G HN 1.246 nan 8.290 nan 0.000 0.553 522 V N -1.683 118.224 119.914 -0.011 0.000 3.141 522 V HA 0.287 3.673 4.120 -1.224 0.000 0.265 522 V C 1.297 177.378 176.094 -0.023 0.000 1.126 522 V CA 0.998 63.292 62.300 -0.010 0.000 1.141 522 V CB -1.140 30.679 31.823 -0.007 0.000 0.743 522 V HN 0.734 nan 8.190 nan 0.000 0.492 523 G N 0.566 109.345 108.800 -0.036 0.000 2.588 523 G HA2 0.291 3.517 3.960 -1.224 0.000 0.281 523 G HA3 0.291 3.517 3.960 -1.224 0.000 0.281 523 G C -0.463 174.387 174.900 -0.084 0.000 1.236 523 G CA -0.789 44.279 45.100 -0.053 0.000 0.969 523 G HN 0.396 nan 8.290 nan 0.000 0.504 524 N N 1.558 120.197 118.700 -0.103 0.000 2.439 524 N HA 0.217 4.223 4.740 -1.224 0.000 0.243 524 N C -0.782 174.582 175.510 -0.244 0.000 1.088 524 N CA -0.024 52.938 53.050 -0.147 0.000 0.940 524 N CB 1.006 39.419 38.487 -0.122 0.000 1.180 524 N HN 0.335 nan 8.380 nan 0.000 0.505 525 D N 0.451 120.651 120.400 -0.333 0.000 2.268 525 D HA 0.373 4.279 4.640 -1.224 0.000 0.249 525 D C -0.112 175.733 176.300 -0.759 0.000 1.008 525 D CA -0.380 53.268 54.000 -0.588 0.000 0.939 525 D CB 2.298 42.627 40.800 -0.785 0.000 1.170 525 D HN -0.008 nan 8.370 nan 0.000 0.468 526 V N 1.963 121.254 119.914 -1.038 0.000 2.376 526 V HA 0.290 3.676 4.120 -1.224 0.000 0.287 526 V C -0.660 174.813 176.094 -1.035 0.000 1.015 526 V CA -0.747 60.871 62.300 -1.137 0.000 0.834 526 V CB 0.621 31.309 31.823 -1.892 0.000 1.001 526 V HN 0.341 nan 8.190 nan 0.000 0.428 527 F N 3.837 123.305 119.950 -0.804 0.000 2.391 527 F HA 0.517 4.309 4.527 -1.224 0.000 0.359 527 F C 0.278 175.782 175.800 -0.495 0.000 1.122 527 F CA -0.654 56.991 58.000 -0.591 0.000 1.120 527 F CB 1.632 40.310 39.000 -0.537 0.000 1.142 527 F HN 0.214 nan 8.300 nan 0.000 0.483 528 V N 3.938 123.714 119.914 -0.230 0.000 2.250 528 V HA 0.233 3.619 4.120 -1.224 0.000 0.268 528 V C 1.001 177.118 176.094 0.040 0.000 1.043 528 V CA -0.437 61.804 62.300 -0.099 0.000 0.814 528 V CB 0.654 32.517 31.823 0.067 0.000 1.072 528 V HN 1.032 nan 8.190 nan 0.000 0.451 529 G N 2.621 111.441 108.800 0.034 0.000 2.450 529 G HA2 0.241 3.467 3.960 -1.224 0.000 0.220 529 G HA3 0.241 3.467 3.960 -1.224 0.000 0.220 529 G C 0.997 175.998 174.900 0.168 0.000 1.130 529 G CA 0.981 46.161 45.100 0.134 0.000 0.760 529 G HN 1.373 nan 8.290 nan 0.000 0.557 530 G N -0.508 108.398 108.800 0.177 0.000 2.645 530 G HA2 0.241 3.467 3.960 -1.224 0.000 0.246 530 G HA3 0.241 3.467 3.960 -1.224 0.000 0.246 530 G C 0.486 175.527 174.900 0.234 0.000 1.322 530 G CA 0.253 45.477 45.100 0.206 0.000 0.898 530 G HN 1.505 nan 8.290 nan 0.000 0.573 531 A N -0.422 122.516 122.820 0.196 0.000 2.492 531 A HA 0.761 4.347 4.320 -1.224 0.000 0.236 531 A C 1.862 179.542 177.584 0.159 0.000 1.078 531 A CA 2.232 54.374 52.037 0.174 0.000 0.773 531 A CB -0.301 18.777 19.000 0.130 0.000 1.023 531 A HN 3.014 nan 8.150 nan 0.000 0.504 532 G N 0.575 109.458 108.800 0.138 0.000 2.757 532 G HA2 -0.086 3.140 3.960 -1.224 0.000 0.638 532 G HA3 -0.086 3.140 3.960 -1.224 0.000 0.638 532 G C -0.739 174.251 174.900 0.150 0.000 1.344 532 G CA -0.255 44.919 45.100 0.123 0.000 0.855 532 G HN 1.118 nan 8.290 nan 0.000 0.537 533 N N 1.980 120.755 118.700 0.125 0.000 2.546 533 N HA 0.396 4.402 4.740 -1.224 0.000 0.238 533 N C -1.052 174.539 175.510 0.135 0.000 0.984 533 N CA -0.363 52.764 53.050 0.129 0.000 0.935 533 N CB 1.166 39.705 38.487 0.087 0.000 1.122 533 N HN 0.513 nan 8.380 nan 0.000 0.510 534 D N 1.265 121.769 120.400 0.175 0.000 2.168 534 D HA 0.203 4.109 4.640 -1.224 0.000 0.246 534 D C -0.121 176.276 176.300 0.162 0.000 1.050 534 D CA -0.467 53.637 54.000 0.175 0.000 0.857 534 D CB 2.439 43.361 40.800 0.202 0.000 1.169 534 D HN 0.202 nan 8.370 nan 0.000 0.453 535 L N 2.397 123.713 121.223 0.156 0.000 2.272 535 L HA 0.426 4.032 4.340 -1.224 0.000 0.289 535 L C -1.028 175.952 176.870 0.183 0.000 1.032 535 L CA -0.137 54.787 54.840 0.140 0.000 0.810 535 L CB 0.772 42.898 42.059 0.111 0.000 1.205 535 L HN 0.296 nan 8.230 nan 0.000 0.422 536 M N 4.930 124.598 119.600 0.113 0.000 2.142 536 M HA 0.437 4.182 4.480 -1.224 0.000 0.299 536 M C -0.912 175.362 176.300 -0.043 0.000 0.960 536 M CA -0.345 54.997 55.300 0.069 0.000 0.920 536 M CB 1.824 34.456 32.600 0.053 0.000 1.541 536 M HN 0.525 nan 8.290 nan 0.000 0.429 537 E N 1.078 121.299 120.200 0.035 0.000 2.113 537 E HA 0.244 3.860 4.350 -1.224 0.000 0.273 537 E C 0.421 177.083 176.600 0.104 0.000 0.924 537 E CA -0.336 56.100 56.400 0.059 0.000 0.764 537 E CB 2.077 31.847 29.700 0.116 0.000 1.104 537 E HN 0.681 nan 8.360 nan 0.000 0.406 538 S N 3.425 119.185 115.700 0.099 0.000 2.359 538 S HA -0.167 3.569 4.470 -1.224 0.000 0.223 538 S C 1.734 176.468 174.600 0.223 0.000 1.039 538 S CA 1.979 60.308 58.200 0.215 0.000 1.042 538 S CB -0.519 62.796 63.200 0.192 0.000 0.915 538 S HN 1.001 nan 8.310 nan 0.000 0.439 539 G N -0.070 108.807 108.800 0.128 0.000 2.189 539 G HA2 0.088 3.313 3.960 -1.224 0.000 0.267 539 G HA3 0.088 3.313 3.960 -1.224 0.000 0.267 539 G C 1.296 176.224 174.900 0.047 0.000 0.975 539 G CA 0.608 45.756 45.100 0.079 0.000 0.644 539 G HN 1.876 nan 8.290 nan 0.000 0.537 540 G N -2.302 106.526 108.800 0.047 0.000 2.462 540 G HA2 0.572 3.798 3.960 -1.224 0.000 0.685 540 G HA3 0.572 3.798 3.960 -1.224 0.000 0.685 540 G C 0.919 175.820 174.900 0.002 0.000 1.295 540 G CA 0.915 46.024 45.100 0.015 0.000 0.941 540 G HN 2.621 nan 8.290 nan 0.000 0.554 541 G N -1.258 107.529 108.800 -0.021 0.000 2.725 541 G HA2 0.457 3.683 3.960 -1.224 0.000 0.220 541 G HA3 0.457 3.683 3.960 -1.224 0.000 0.220 541 G C 0.324 175.192 174.900 -0.054 0.000 1.357 541 G CA 0.903 45.980 45.100 -0.039 0.000 0.866 541 G HN 2.632 nan 8.290 nan 0.000 0.548 542 A N 0.648 123.425 122.820 -0.070 0.000 2.412 542 A HA 0.645 4.230 4.320 -1.224 0.000 0.334 542 A C -0.293 177.228 177.584 -0.105 0.000 1.419 542 A CA -0.169 51.816 52.037 -0.087 0.000 0.930 542 A CB 0.421 19.372 19.000 -0.082 0.000 1.149 542 A HN 0.580 nan 8.150 nan 0.000 0.515 543 D N 1.123 121.470 120.400 -0.088 0.000 2.228 543 D HA 0.600 4.506 4.640 -1.224 0.000 0.247 543 D C -0.323 175.883 176.300 -0.157 0.000 0.995 543 D CA 0.212 54.126 54.000 -0.143 0.000 0.903 543 D CB 1.867 42.627 40.800 -0.066 0.000 1.205 543 D HN 0.342 nan 8.370 nan 0.000 0.459 544 T N 1.052 115.411 114.554 -0.326 0.000 2.824 544 T HA 0.502 4.118 4.350 -1.224 0.000 0.282 544 T C -0.608 173.819 174.700 -0.454 0.000 0.993 544 T CA -0.494 61.450 62.100 -0.260 0.000 0.967 544 T CB 0.447 69.121 68.868 -0.324 0.000 0.960 544 T HN 0.087 nan 8.240 nan 0.000 0.441 545 F N 2.883 122.735 119.950 -0.163 0.000 2.427 545 F HA 0.587 4.380 4.527 -1.224 0.000 0.348 545 F C -0.298 175.067 175.800 -0.725 0.000 1.125 545 F CA -1.092 56.684 58.000 -0.373 0.000 0.989 545 F CB 1.322 40.171 39.000 -0.251 0.000 1.165 545 F HN 0.267 nan 8.300 nan 0.000 0.442 546 L N 4.918 125.694 121.223 -0.745 0.000 2.307 546 L HA 0.685 4.290 4.340 -1.224 0.000 0.284 546 L C -1.629 174.655 176.870 -0.977 0.000 1.023 546 L CA -0.590 53.851 54.840 -0.665 0.000 0.810 546 L CB 0.653 42.527 42.059 -0.309 0.000 1.231 546 L HN 0.374 nan 8.230 nan 0.000 0.423 547 F N 4.960 124.642 119.950 -0.447 0.000 2.539 547 F HA 0.508 4.301 4.527 -1.224 0.000 0.328 547 F C 0.038 175.688 175.800 -0.249 0.000 1.148 547 F CA -0.591 57.063 58.000 -0.577 0.000 0.940 547 F CB 1.476 39.663 39.000 -1.355 0.000 1.194 547 F HN 0.553 nan 8.300 nan 0.000 0.438 548 N N 1.854 120.651 118.700 0.162 0.000 2.242 548 N HA 0.603 4.609 4.740 -1.224 0.000 0.292 548 N C 0.174 175.905 175.510 0.369 0.000 1.125 548 N CA 0.397 53.607 53.050 0.267 0.000 0.783 548 N CB 2.424 41.043 38.487 0.221 0.000 1.558 548 N HN 0.823 nan 8.380 nan 0.000 0.472 549 G N 1.633 110.637 108.800 0.341 0.000 2.552 549 G HA2 -0.208 3.018 3.960 -1.224 0.000 0.265 549 G HA3 -0.208 3.018 3.960 -1.224 0.000 0.265 549 G C -0.198 174.882 174.900 0.300 0.000 1.234 549 G CA 0.072 45.342 45.100 0.284 0.000 0.944 549 G HN 1.011 nan 8.290 nan 0.000 0.568 550 A N 0.094 123.029 122.820 0.190 0.000 2.922 550 A HA 0.614 4.200 4.320 -1.224 0.000 0.298 550 A C 0.797 178.440 177.584 0.098 0.000 1.588 550 A CA 0.745 52.826 52.037 0.074 0.000 1.288 550 A CB -0.928 18.102 19.000 0.051 0.000 1.130 550 A HN 1.752 nan 8.150 nan 0.000 0.557 551 F N 0.717 120.770 119.950 0.172 0.000 2.811 551 F HA 0.470 4.262 4.527 -1.224 0.000 0.301 551 F C 0.916 176.832 175.800 0.193 0.000 1.151 551 F CA -0.184 57.941 58.000 0.209 0.000 1.412 551 F CB -0.722 38.460 39.000 0.302 0.000 1.113 551 F HN 0.778 nan 8.300 nan 0.000 0.579 552 G N 1.034 109.766 108.800 -0.112 0.000 2.615 552 G HA2 -0.125 3.101 3.960 -1.224 0.000 0.218 552 G HA3 -0.125 3.101 3.960 -1.224 0.000 0.218 552 G C -1.122 173.775 174.900 -0.005 0.000 1.339 552 G CA -0.369 44.722 45.100 -0.014 0.000 0.884 552 G HN 0.399 nan 8.290 nan 0.000 0.559 553 Q N 1.495 121.343 119.800 0.079 0.000 2.462 553 Q HA 0.465 4.071 4.340 -1.224 0.000 0.247 553 Q C -0.974 175.115 176.000 0.148 0.000 1.044 553 Q CA -0.443 55.413 55.803 0.089 0.000 0.803 553 Q CB 1.349 30.112 28.738 0.042 0.000 1.190 553 Q HN 0.577 nan 8.270 nan 0.000 0.507 554 D N 1.537 122.070 120.400 0.220 0.000 2.217 554 D HA 0.439 4.345 4.640 -1.224 0.000 0.248 554 D C -0.094 176.277 176.300 0.119 0.000 1.008 554 D CA -0.488 53.646 54.000 0.222 0.000 0.914 554 D CB 1.613 42.640 40.800 0.378 0.000 1.182 554 D HN 0.156 nan 8.370 nan 0.000 0.451 555 R N 0.472 121.024 120.500 0.086 0.000 2.480 555 R HA 0.545 4.151 4.340 -1.224 0.000 0.306 555 R C -1.030 175.256 176.300 -0.024 0.000 0.958 555 R CA -0.811 55.299 56.100 0.017 0.000 0.861 555 R CB 1.978 32.288 30.300 0.016 0.000 1.171 555 R HN 0.111 nan 8.270 nan 0.000 0.445 556 V N 4.275 124.115 119.914 -0.124 0.000 2.384 556 V HA 0.399 3.784 4.120 -1.224 0.000 0.287 556 V C -0.291 175.685 176.094 -0.196 0.000 1.020 556 V CA -0.713 61.424 62.300 -0.271 0.000 0.850 556 V CB 1.874 33.345 31.823 -0.586 0.000 0.987 556 V HN 0.445 nan 8.190 nan 0.000 0.436 557 V N 3.418 123.253 119.914 -0.132 0.000 2.555 557 V HA 0.804 4.190 4.120 -1.224 0.000 0.302 557 V C 0.894 176.981 176.094 -0.011 0.000 1.038 557 V CA 0.407 62.680 62.300 -0.045 0.000 0.887 557 V CB 1.398 33.221 31.823 0.000 0.000 0.991 557 V HN 1.137 nan 8.190 nan 0.000 0.434 558 G N 3.798 112.610 108.800 0.020 0.000 2.137 558 G HA2 -0.271 2.954 3.960 -1.224 0.000 0.237 558 G HA3 -0.271 2.954 3.960 -1.224 0.000 0.237 558 G C -0.118 174.821 174.900 0.066 0.000 1.002 558 G CA 0.145 45.271 45.100 0.043 0.000 0.702 558 G HN 0.767 nan 8.290 nan 0.000 0.515 559 F N 2.917 122.805 119.950 -0.103 0.000 2.504 559 F HA 0.532 4.324 4.527 -1.224 0.000 0.369 559 F C 1.092 176.860 175.800 -0.054 0.000 1.082 559 F CA 0.927 58.863 58.000 -0.107 0.000 1.216 559 F CB 0.842 39.712 39.000 -0.217 0.000 1.108 559 F HN 0.371 nan 8.300 nan 0.000 0.554 560 T N 0.902 115.156 114.554 -0.500 0.000 2.888 560 T HA 0.294 3.910 4.350 -1.224 0.000 0.288 560 T C 0.881 175.252 174.700 -0.549 0.000 1.063 560 T CA -0.375 61.513 62.100 -0.354 0.000 1.010 560 T CB 1.383 70.138 68.868 -0.189 0.000 1.214 560 T HN 0.430 nan 8.240 nan 0.000 0.533 561 S N 1.530 117.071 115.700 -0.266 0.000 2.402 561 S HA -0.140 3.595 4.470 -1.224 0.000 0.233 561 S C 1.876 176.344 174.600 -0.220 0.000 1.030 561 S CA 1.700 59.782 58.200 -0.196 0.000 1.003 561 S CB -0.639 62.505 63.200 -0.093 0.000 0.813 561 S HN 0.912 nan 8.310 nan 0.000 0.477 562 N N 1.254 119.821 118.700 -0.221 0.000 2.398 562 N HA -0.003 4.003 4.740 -1.224 0.000 0.188 562 N C -0.638 174.755 175.510 -0.196 0.000 1.122 562 N CA 0.227 53.177 53.050 -0.167 0.000 0.866 562 N CB -0.203 38.215 38.487 -0.114 0.000 0.970 562 N HN 0.203 nan 8.380 nan 0.000 0.462 563 D N 0.567 120.749 120.400 -0.364 0.000 2.340 563 D HA 0.274 4.179 4.640 -1.224 0.000 0.251 563 D C -0.554 175.654 176.300 -0.152 0.000 1.080 563 D CA -0.087 53.722 54.000 -0.318 0.000 0.971 563 D CB 1.709 42.188 40.800 -0.534 0.000 1.137 563 D HN 0.105 nan 8.370 nan 0.000 0.475 564 K N 0.659 121.155 120.400 0.161 0.000 2.468 564 K HA 0.441 4.027 4.320 -1.224 0.000 0.252 564 K C -1.294 175.523 176.600 0.363 0.000 0.932 564 K CA -0.614 55.819 56.287 0.243 0.000 0.794 564 K CB 1.269 33.818 32.500 0.081 0.000 1.241 564 K HN 0.285 nan 8.250 nan 0.000 0.428 565 L N 3.756 125.137 121.223 0.262 0.000 2.289 565 L HA 0.535 4.141 4.340 -1.224 0.000 0.285 565 L C -0.676 176.116 176.870 -0.130 0.000 1.049 565 L CA -1.228 53.650 54.840 0.063 0.000 0.804 565 L CB 1.633 43.666 42.059 -0.043 0.000 1.195 565 L HN 0.267 nan 8.230 nan 0.000 0.428 566 V N 3.477 123.215 119.914 -0.293 0.000 2.409 566 V HA 0.367 3.753 4.120 -1.224 0.000 0.290 566 V C -0.638 175.174 176.094 -0.470 0.000 1.017 566 V CA -0.351 61.736 62.300 -0.356 0.000 0.841 566 V CB 1.362 33.001 31.823 -0.306 0.000 1.003 566 V HN 0.386 nan 8.190 nan 0.000 0.426 567 F N 6.050 125.894 119.950 -0.177 0.000 2.361 567 F HA 0.704 4.497 4.527 -1.224 0.000 0.364 567 F C -0.219 175.489 175.800 -0.153 0.000 1.120 567 F CA -0.613 57.219 58.000 -0.280 0.000 1.102 567 F CB 1.503 40.105 39.000 -0.663 0.000 1.183 567 F HN 0.323 nan 8.300 nan 0.000 0.476 568 L N 3.069 124.348 121.223 0.093 0.000 2.482 568 L HA 0.704 4.310 4.340 -1.224 0.000 0.269 568 L C 0.156 177.196 176.870 0.283 0.000 0.967 568 L CA -0.337 54.604 54.840 0.167 0.000 0.851 568 L CB 1.732 43.852 42.059 0.102 0.000 1.242 568 L HN 0.702 nan 8.230 nan 0.000 0.404 569 G N 3.670 112.731 108.800 0.436 0.000 2.298 569 G HA2 -0.056 3.169 3.960 -1.224 0.000 0.287 569 G HA3 -0.056 3.169 3.960 -1.224 0.000 0.287 569 G C -0.197 174.858 174.900 0.260 0.000 1.075 569 G CA 0.479 45.793 45.100 0.357 0.000 0.960 569 G HN 1.397 nan 8.290 nan 0.000 0.502 570 V N -4.186 115.862 119.914 0.224 0.000 3.103 570 V HA 0.895 4.281 4.120 -1.224 0.000 0.318 570 V C 0.272 176.490 176.094 0.207 0.000 1.114 570 V CA -1.448 61.003 62.300 0.252 0.000 1.020 570 V CB 1.943 33.932 31.823 0.276 0.000 1.085 570 V HN 0.268 nan 8.190 nan 0.000 0.446 571 Q N 0.638 120.574 119.800 0.228 0.000 2.306 571 Q HA 0.491 4.097 4.340 -1.224 0.000 0.241 571 Q C 1.079 177.224 176.000 0.242 0.000 0.948 571 Q CA 0.672 56.583 55.803 0.179 0.000 0.886 571 Q CB 0.983 29.798 28.738 0.128 0.000 1.227 571 Q HN 1.835 nan 8.270 nan 0.000 0.457 572 G N 0.445 109.350 108.800 0.175 0.000 2.136 572 G HA2 -0.223 3.003 3.960 -1.224 0.000 0.242 572 G HA3 -0.223 3.003 3.960 -1.224 0.000 0.242 572 G C -0.182 174.898 174.900 0.300 0.000 0.989 572 G CA 0.136 45.354 45.100 0.197 0.000 0.682 572 G HN 0.365 nan 8.290 nan 0.000 0.522 573 V N 1.794 121.860 119.914 0.254 0.000 2.348 573 V HA 0.547 3.933 4.120 -1.224 0.000 0.270 573 V C 0.937 177.142 176.094 0.185 0.000 1.037 573 V CA -0.569 61.895 62.300 0.273 0.000 0.872 573 V CB 1.332 33.294 31.823 0.232 0.000 1.002 573 V HN 0.332 nan 8.190 nan 0.000 0.464 574 L N 6.662 127.986 121.223 0.170 0.000 2.421 574 L HA 0.444 4.050 4.340 -1.224 0.000 0.263 574 L C -2.175 174.764 176.870 0.115 0.000 1.122 574 L CA -1.942 52.960 54.840 0.103 0.000 0.804 574 L CB 1.134 43.226 42.059 0.054 0.000 1.150 574 L HN 0.376 nan 8.230 nan 0.000 0.457 575 P HA -0.073 nan 4.420 nan 0.000 0.261 575 P C 0.007 177.364 177.300 0.095 0.000 1.183 575 P CA 0.624 63.788 63.100 0.106 0.000 0.761 575 P CB 0.178 31.936 31.700 0.096 0.000 0.785 576 N N 0.231 118.993 118.700 0.104 0.000 2.782 576 N HA -0.189 3.816 4.740 -1.224 0.000 0.251 576 N C -0.622 174.943 175.510 0.092 0.000 1.101 576 N CA 0.237 53.343 53.050 0.093 0.000 0.764 576 N CB -0.638 37.894 38.487 0.075 0.000 1.122 576 N HN 0.518 nan 8.380 nan 0.000 0.561 577 D N 1.414 121.886 120.400 0.120 0.000 2.455 577 D HA 0.035 3.941 4.640 -1.224 0.000 0.241 577 D C 0.503 176.892 176.300 0.148 0.000 1.138 577 D CA 0.567 54.649 54.000 0.136 0.000 0.877 577 D CB 0.663 41.622 40.800 0.265 0.000 1.187 577 D HN 0.318 nan 8.370 nan 0.000 0.451 578 D N 0.042 120.502 120.400 0.100 0.000 2.569 578 D HA 0.103 4.009 4.640 -1.224 0.000 0.266 578 D C 1.071 177.457 176.300 0.144 0.000 1.164 578 D CA -0.754 53.325 54.000 0.131 0.000 1.071 578 D CB -0.099 40.748 40.800 0.078 0.000 1.183 578 D HN 0.328 nan 8.370 nan 0.000 0.613 579 F N -0.507 119.509 119.950 0.111 0.000 2.293 579 F HA 0.133 3.925 4.527 -1.224 0.000 0.300 579 F C 1.984 177.808 175.800 0.039 0.000 1.086 579 F CA 0.442 58.499 58.000 0.095 0.000 1.375 579 F CB -0.311 38.736 39.000 0.078 0.000 1.045 579 F HN 0.054 nan 8.300 nan 0.000 0.516 580 R N 0.981 120.931 120.500 -0.917 0.000 2.152 580 R HA -0.009 3.597 4.340 -1.224 0.000 0.232 580 R C 2.403 178.497 176.300 -0.343 0.000 1.117 580 R CA 0.949 56.628 56.100 -0.702 0.000 0.981 580 R CB -0.618 29.287 30.300 -0.657 0.000 0.870 580 R HN 0.474 nan 8.270 nan 0.000 0.451 581 A N -0.020 122.634 122.820 -0.278 0.000 2.168 581 A HA -0.118 3.468 4.320 -1.224 0.000 0.215 581 A C 0.834 178.088 177.584 -0.551 0.000 1.152 581 A CA 1.170 52.999 52.037 -0.346 0.000 0.716 581 A CB -0.228 18.581 19.000 -0.320 0.000 0.794 581 A HN 0.356 nan 8.150 nan 0.000 0.465 582 H N -1.828 117.061 119.070 -0.303 0.000 2.893 582 H HA 0.563 4.384 4.556 -1.224 0.000 0.270 582 H C 0.464 175.597 175.328 -0.325 0.000 1.095 582 H CA 0.340 56.118 56.048 -0.450 0.000 1.186 582 H CB 0.600 29.845 29.762 -0.862 0.000 1.562 582 H HN 0.448 nan 8.280 nan 0.000 0.536 583 A N 0.907 123.654 122.820 -0.121 0.000 2.324 583 A HA 0.722 4.308 4.320 -1.224 0.000 0.330 583 A C -0.175 177.367 177.584 -0.071 0.000 1.165 583 A CA -0.274 51.736 52.037 -0.046 0.000 0.813 583 A CB 0.826 19.870 19.000 0.073 0.000 1.197 583 A HN 0.279 nan 8.150 nan 0.000 0.484 584 S N 1.512 117.184 115.700 -0.048 0.000 2.607 584 S HA 0.764 4.500 4.470 -1.224 0.000 0.273 584 S C -0.828 173.756 174.600 -0.027 0.000 1.148 584 S CA -0.853 57.319 58.200 -0.046 0.000 0.833 584 S CB 1.247 64.411 63.200 -0.061 0.000 1.130 584 S HN 0.553 nan 8.310 nan 0.000 0.470 585 M N 2.130 121.716 119.600 -0.024 0.000 2.238 585 M HA 0.483 4.229 4.480 -1.224 0.000 0.350 585 M C -1.265 175.022 176.300 -0.022 0.000 1.138 585 M CA -0.602 54.688 55.300 -0.017 0.000 1.040 585 M CB 1.396 33.990 32.600 -0.011 0.000 1.639 585 M HN 0.640 nan 8.290 nan 0.000 0.451 586 V N 3.177 123.079 119.914 -0.020 0.000 2.357 586 V HA 0.560 3.946 4.120 -1.224 0.000 0.281 586 V C 0.878 176.962 176.094 -0.016 0.000 1.015 586 V CA 0.027 62.315 62.300 -0.020 0.000 0.827 586 V CB 0.597 32.407 31.823 -0.022 0.000 1.018 586 V HN 1.164 nan 8.190 nan 0.000 0.432 587 G N 4.649 113.441 108.800 -0.013 0.000 2.634 587 G HA2 -0.312 2.914 3.960 -1.224 0.000 0.318 587 G HA3 -0.312 2.914 3.960 -1.224 0.000 0.318 587 G C 0.669 175.564 174.900 -0.009 0.000 1.207 587 G CA 0.742 45.836 45.100 -0.010 0.000 0.987 587 G HN 0.555 nan 8.290 nan 0.000 0.547 588 Q N 2.072 121.867 119.800 -0.008 0.000 2.360 588 Q HA 0.208 3.814 4.340 -1.224 0.000 0.202 588 Q C -0.068 175.927 176.000 -0.009 0.000 0.915 588 Q CA 0.732 56.532 55.803 -0.006 0.000 0.943 588 Q CB 0.389 29.125 28.738 -0.004 0.000 1.064 588 Q HN 0.649 nan 8.270 nan 0.000 0.511 589 D N 0.045 120.437 120.400 -0.014 0.000 2.340 589 D HA 0.283 4.189 4.640 -1.224 0.000 0.240 589 D C -0.391 175.895 176.300 -0.024 0.000 1.001 589 D CA -0.292 53.694 54.000 -0.023 0.000 0.888 589 D CB 1.682 42.465 40.800 -0.027 0.000 1.310 589 D HN -0.272 nan 8.370 nan 0.000 0.474 590 T N 0.541 115.074 114.554 -0.035 0.000 2.837 590 T HA 0.443 4.059 4.350 -1.224 0.000 0.285 590 T C -0.022 174.650 174.700 -0.047 0.000 0.984 590 T CA -0.486 61.594 62.100 -0.033 0.000 1.049 590 T CB 1.139 69.989 68.868 -0.030 0.000 0.947 590 T HN 0.004 nan 8.240 nan 0.000 0.472 591 V N 4.887 124.780 119.914 -0.036 0.000 2.495 591 V HA 0.477 3.863 4.120 -1.224 0.000 0.298 591 V C -0.410 175.658 176.094 -0.044 0.000 1.031 591 V CA -0.846 61.430 62.300 -0.039 0.000 0.871 591 V CB 1.551 33.353 31.823 -0.035 0.000 0.988 591 V HN 0.703 nan 8.190 nan 0.000 0.432 592 L N 5.215 126.416 121.223 -0.037 0.000 2.305 592 L HA 0.616 4.222 4.340 -1.224 0.000 0.284 592 L C -0.198 176.609 176.870 -0.106 0.000 1.013 592 L CA -0.548 54.243 54.840 -0.082 0.000 0.819 592 L CB 1.558 43.612 42.059 -0.009 0.000 1.227 592 L HN 0.531 nan 8.230 nan 0.000 0.417 593 K N 3.587 123.807 120.400 -0.300 0.000 2.270 593 K HA 0.651 4.237 4.320 -1.224 0.000 0.255 593 K C -1.455 174.837 176.600 -0.514 0.000 0.936 593 K CA -0.456 55.695 56.287 -0.227 0.000 0.809 593 K CB 2.200 34.611 32.500 -0.149 0.000 1.131 593 K HN 0.257 nan 8.250 nan 0.000 0.427 594 F N 1.428 121.370 119.950 -0.014 0.000 2.771 594 F HA 0.252 4.044 4.527 -1.224 0.000 0.365 594 F C 0.943 176.730 175.800 -0.022 0.000 1.169 594 F CA -0.353 57.643 58.000 -0.005 0.000 1.093 594 F CB 1.520 40.512 39.000 -0.012 0.000 1.363 594 F HN 0.888 nan 8.300 nan 0.000 0.496 595 G N 2.227 111.087 108.800 0.100 0.000 2.651 595 G HA2 -0.321 2.905 3.960 -1.224 0.000 0.315 595 G HA3 -0.321 2.905 3.960 -1.224 0.000 0.315 595 G C 1.339 176.232 174.900 -0.013 0.000 1.258 595 G CA 0.333 45.456 45.100 0.038 0.000 1.002 595 G HN 1.140 nan 8.290 nan 0.000 0.551 596 G N 0.191 108.970 108.800 -0.035 0.000 2.985 596 G HA2 0.376 3.601 3.960 -1.224 0.000 0.209 596 G HA3 0.376 3.601 3.960 -1.224 0.000 0.209 596 G C 0.282 175.111 174.900 -0.119 0.000 1.165 596 G CA 1.089 46.153 45.100 -0.061 0.000 0.776 596 G HN 0.661 nan 8.290 nan 0.000 0.541 597 D N 0.193 120.472 120.400 -0.203 0.000 2.268 597 D HA 0.535 4.441 4.640 -1.224 0.000 0.249 597 D C -0.077 176.098 176.300 -0.208 0.000 1.008 597 D CA 0.061 53.792 54.000 -0.448 0.000 0.939 597 D CB 1.907 42.007 40.800 -1.166 0.000 1.170 597 D HN 0.220 nan 8.370 nan 0.000 0.468 598 S N -0.931 114.726 115.700 -0.073 0.000 2.547 598 S HA 0.539 4.275 4.470 -1.224 0.000 0.270 598 S C -1.311 173.468 174.600 0.299 0.000 1.150 598 S CA -0.838 57.458 58.200 0.160 0.000 0.850 598 S CB 1.363 64.588 63.200 0.043 0.000 1.118 598 S HN 0.145 nan 8.310 nan 0.000 0.461 599 V N 2.054 122.088 119.914 0.201 0.000 2.487 599 V HA 0.587 3.973 4.120 -1.224 0.000 0.298 599 V C -0.254 175.832 176.094 -0.014 0.000 1.028 599 V CA -0.453 61.872 62.300 0.041 0.000 0.860 599 V CB 1.826 33.541 31.823 -0.180 0.000 0.991 599 V HN 1.026 nan 8.190 nan 0.000 0.427 600 T N 6.450 120.987 114.554 -0.027 0.000 2.743 600 T HA 0.508 4.123 4.350 -1.224 0.000 0.292 600 T C -0.071 174.563 174.700 -0.110 0.000 0.972 600 T CA -0.238 61.829 62.100 -0.054 0.000 0.967 600 T CB 0.545 69.397 68.868 -0.026 0.000 0.926 600 T HN 0.375 nan 8.240 nan 0.000 0.459 601 L N 4.312 125.447 121.223 -0.147 0.000 2.334 601 L HA 0.302 3.907 4.340 -1.224 0.000 0.286 601 L C 0.116 176.923 176.870 -0.104 0.000 1.108 601 L CA -0.780 53.941 54.840 -0.198 0.000 0.875 601 L CB 0.374 42.261 42.059 -0.286 0.000 1.246 601 L HN 0.376 nan 8.230 nan 0.000 0.439 602 V N 3.085 122.951 119.914 -0.081 0.000 2.529 602 V HA 0.150 3.536 4.120 -1.224 0.000 0.292 602 V C 1.333 177.413 176.094 -0.022 0.000 1.028 602 V CA 0.651 62.926 62.300 -0.042 0.000 1.074 602 V CB 0.708 32.513 31.823 -0.030 0.000 0.958 602 V HN 1.064 nan 8.190 nan 0.000 0.481 603 G N 3.880 112.672 108.800 -0.014 0.000 2.249 603 G HA2 -0.186 3.040 3.960 -1.224 0.000 0.273 603 G HA3 -0.186 3.040 3.960 -1.224 0.000 0.273 603 G C -0.146 174.759 174.900 0.008 0.000 1.036 603 G CA 0.245 45.344 45.100 -0.001 0.000 0.824 603 G HN 0.808 nan 8.290 nan 0.000 0.504 604 V N 0.162 120.077 119.914 0.002 0.000 2.444 604 V HA 0.781 4.167 4.120 -1.224 0.000 0.294 604 V C 0.629 176.729 176.094 0.010 0.000 1.022 604 V CA -0.528 61.783 62.300 0.018 0.000 0.850 604 V CB 1.668 33.504 31.823 0.021 0.000 0.992 604 V HN 1.078 nan 8.190 nan 0.000 0.426 605 A N 3.854 126.688 122.820 0.022 0.000 2.366 605 A HA 0.498 4.083 4.320 -1.224 0.000 0.272 605 A C 0.907 178.515 177.584 0.038 0.000 1.135 605 A CA -0.302 51.750 52.037 0.024 0.000 0.804 605 A CB 0.478 19.492 19.000 0.024 0.000 1.064 605 A HN 0.977 nan 8.150 nan 0.000 0.499 606 L N 2.549 123.799 121.223 0.045 0.000 2.127 606 L HA -0.150 3.456 4.340 -1.224 0.000 0.211 606 L C 1.427 178.368 176.870 0.119 0.000 1.089 606 L CA 2.062 56.954 54.840 0.087 0.000 0.757 606 L CB -0.597 41.511 42.059 0.082 0.000 0.899 606 L HN 0.734 nan 8.230 nan 0.000 0.434 607 N N -0.552 118.196 118.700 0.080 0.000 2.512 607 N HA -0.091 3.915 4.740 -1.224 0.000 0.183 607 N C 1.869 177.426 175.510 0.079 0.000 1.073 607 N CA 1.072 54.171 53.050 0.082 0.000 0.911 607 N CB -0.223 38.295 38.487 0.051 0.000 0.964 607 N HN 0.653 nan 8.380 nan 0.000 0.447 608 S N -0.667 115.073 115.700 0.067 0.000 2.562 608 S HA 0.121 3.857 4.470 -1.224 0.000 0.221 608 S C 0.747 175.379 174.600 0.054 0.000 0.975 608 S CA -0.183 58.050 58.200 0.056 0.000 0.918 608 S CB -0.077 63.152 63.200 0.048 0.000 0.772 608 S HN 0.089 nan 8.310 nan 0.000 0.531 609 L N 2.094 123.349 121.223 0.052 0.000 2.375 609 L HA 0.556 4.162 4.340 -1.224 0.000 0.271 609 L C 0.382 177.225 176.870 -0.044 0.000 1.107 609 L CA -0.535 54.274 54.840 -0.052 0.000 0.806 609 L CB 1.528 43.444 42.059 -0.239 0.000 1.146 609 L HN 0.249 nan 8.230 nan 0.000 0.447 610 S N 0.776 116.403 115.700 -0.122 0.000 2.536 610 S HA 0.567 4.303 4.470 -1.224 0.000 0.298 610 S C 0.643 175.180 174.600 -0.106 0.000 1.083 610 S CA -0.098 58.095 58.200 -0.012 0.000 0.995 610 S CB 1.930 65.144 63.200 0.023 0.000 1.058 610 S HN 0.690 nan 8.310 nan 0.000 0.488 611 A N 2.608 125.519 122.820 0.152 0.000 2.019 611 A HA -0.047 3.539 4.320 -1.224 0.000 0.219 611 A C 1.544 179.183 177.584 0.092 0.000 1.164 611 A CA 1.784 53.945 52.037 0.206 0.000 0.644 611 A CB -0.783 18.416 19.000 0.332 0.000 0.805 611 A HN 0.903 nan 8.150 nan 0.000 0.449 612 D N -0.244 120.196 120.400 0.067 0.000 2.263 612 D HA -0.088 3.818 4.640 -1.224 0.000 0.208 612 D C 1.746 178.070 176.300 0.040 0.000 0.971 612 D CA 1.392 55.425 54.000 0.055 0.000 0.867 612 D CB -0.368 40.459 40.800 0.046 0.000 0.929 612 D HN 0.496 nan 8.370 nan 0.000 0.492 613 G N -0.225 108.590 108.800 0.025 0.000 3.042 613 G HA2 0.224 3.450 3.960 -1.224 0.000 0.212 613 G HA3 0.224 3.450 3.960 -1.224 0.000 0.212 613 G C 0.641 175.598 174.900 0.094 0.000 1.166 613 G CA -0.161 44.983 45.100 0.074 0.000 0.767 613 G HN 0.185 nan 8.290 nan 0.000 0.546 614 I N 1.431 122.014 120.570 0.021 0.000 2.542 614 I HA 0.200 3.636 4.170 -1.224 0.000 0.278 614 I C -0.859 175.321 176.117 0.106 0.000 1.069 614 I CA -0.665 60.671 61.300 0.059 0.000 1.100 614 I CB 2.310 40.280 38.000 -0.050 0.000 1.204 614 I HN -0.329 nan 8.210 nan 0.000 0.470 615 V N 6.474 126.404 119.914 0.026 0.000 2.432 615 V HA 0.318 3.704 4.120 -1.224 0.000 0.271 615 V C 0.243 176.368 176.094 0.052 0.000 1.046 615 V CA -0.174 62.083 62.300 -0.072 0.000 0.945 615 V CB 1.373 32.917 31.823 -0.465 0.000 0.992 615 V HN 0.377 nan 8.190 nan 0.000 0.471 616 I N 5.178 125.808 120.570 0.101 0.000 2.390 616 I HA 0.639 4.075 4.170 -1.224 0.000 0.283 616 I C 0.434 176.613 176.117 0.104 0.000 1.016 616 I CA -0.193 61.188 61.300 0.135 0.000 1.151 616 I CB 0.910 39.021 38.000 0.185 0.000 1.293 616 I HN 0.663 nan 8.210 nan 0.000 0.458 617 A N 0.000 122.877 122.820 0.095 0.000 2.254 617 A HA 0.000 3.586 4.320 -1.224 0.000 0.244 617 A CA 0.000 52.114 52.037 0.129 0.000 0.836 617 A CB 0.000 19.047 19.000 0.078 0.000 0.831 617 A HN 0.000 nan 8.150 nan 0.000 0.486