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 1ecf_1_A DATA FIRST_RESID 1 DATA SEQUENCE CGIVGIAGVM PVNQSIYDAL TVLQHRGQDA AGIITIDANN CFRLRKANGL DATA SEQUENCE VSDVFEARHM QRLQGNMGIG HVRYPTAGSS SASEAQPFYV NSPYGITLAH DATA SEQUENCE NGNLTNAHEL RKKLFEEKRR HINTTSDSEI LLNIFASELD NFRHYPLEAD DATA SEQUENCE NIFAAIAATN RLIRGAYACV AMIIGHGMVA FRDPNGIRPL VLGKRDIDEN DATA SEQUENCE RTEYMVASES VALDTLGFDF LRDVAPGEAI YITEEGQLFT RQCADNPVSN DATA SEQUENCE PCLFEYVYFA RPDSFIDKIS VYSARVNMGT KLGEKIAREW EDLDIDVVIP DATA SEQUENCE IPETSCDIAL EIARILGKPY RQGFVKNRYV GRTFIMPGQQ LRRKSVRRKL DATA SEQUENCE NANRAEFRDK NVLLVDDSIV RGTTSEQIIE MAREAGAKKV YLASAAPEIR DATA SEQUENCE FPNVYGIDMP SATELIAHGR EVDEIRQIIG ADGLIFQDLN DLIDAVRAEN DATA SEQUENCE PDIQQFECSV FNGVYVTKDV DQGYLDFLDT LRNDDAKAVQ RQ 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 1 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.957 174.990 -0.056 0.000 1.270 1 C CA 0.000 59.028 59.018 0.017 0.000 1.963 1 C CB 0.000 27.736 27.740 -0.006 0.000 2.134 2 G N 0.500 109.155 108.800 -0.242 0.000 2.591 2 G HA2 0.851 4.811 3.960 0.000 0.000 0.306 2 G HA3 0.851 4.811 3.960 0.000 0.000 0.306 2 G C -1.199 173.593 174.900 -0.180 0.000 1.334 2 G CA -0.533 44.466 45.100 -0.170 0.000 0.981 2 G HN 1.159 nan 8.290 nan 0.000 0.491 3 I N -1.104 119.433 120.570 -0.055 0.000 2.785 3 I HA 0.907 5.077 4.170 0.000 0.000 0.302 3 I C -1.184 174.936 176.117 0.005 0.000 1.069 3 I CA -1.355 59.955 61.300 0.017 0.000 1.045 3 I CB 2.474 40.526 38.000 0.087 0.000 1.236 3 I HN 0.303 nan 8.210 nan 0.000 0.429 4 V N 2.293 122.217 119.914 0.017 0.000 2.932 4 V HA 0.874 4.994 4.120 0.000 0.000 0.307 4 V C -0.102 175.999 176.094 0.011 0.000 1.147 4 V CA -0.298 61.997 62.300 -0.007 0.000 0.951 4 V CB 2.124 33.927 31.823 -0.034 0.000 1.031 4 V HN 1.116 nan 8.190 nan 0.000 0.426 5 G N 3.489 112.289 108.800 0.001 0.000 2.719 5 G HA2 0.779 4.739 3.960 0.000 0.000 0.298 5 G HA3 0.779 4.739 3.960 0.000 0.000 0.298 5 G C -1.585 173.319 174.900 0.008 0.000 1.433 5 G CA -0.401 44.718 45.100 0.032 0.000 1.034 5 G HN 0.566 nan 8.290 nan 0.000 0.517 6 I N 1.466 122.053 120.570 0.029 0.000 2.466 6 I HA 0.528 4.698 4.170 0.000 0.000 0.289 6 I C 0.104 176.286 176.117 0.108 0.000 1.026 6 I CA -1.050 60.270 61.300 0.034 0.000 1.078 6 I CB 2.402 40.404 38.000 0.005 0.000 1.249 6 I HN 0.586 nan 8.210 nan 0.000 0.429 7 A N 5.297 128.213 122.820 0.160 0.000 2.511 7 A HA 0.764 5.084 4.320 0.000 0.000 0.340 7 A C 0.201 177.890 177.584 0.174 0.000 1.396 7 A CA -0.349 51.789 52.037 0.168 0.000 0.887 7 A CB 0.268 19.387 19.000 0.197 0.000 1.145 7 A HN 0.840 nan 8.150 nan 0.000 0.497 8 G N -0.437 108.444 108.800 0.135 0.000 2.753 8 G HA2 0.510 4.470 3.960 0.000 0.000 0.285 8 G HA3 0.510 4.470 3.960 0.000 0.000 0.285 8 G C 0.516 175.454 174.900 0.062 0.000 1.344 8 G CA 0.217 45.384 45.100 0.112 0.000 1.050 8 G HN 1.338 nan 8.290 nan 0.000 0.532 9 V N -3.101 116.834 119.914 0.035 0.000 3.346 9 V HA 0.516 4.636 4.120 0.000 0.000 0.309 9 V C 0.361 176.463 176.094 0.014 0.000 1.457 9 V CA 0.260 62.568 62.300 0.014 0.000 1.069 9 V CB -1.058 30.757 31.823 -0.013 0.000 0.944 9 V HN 0.726 nan 8.190 nan 0.000 0.449 10 M N -2.224 117.391 119.600 0.026 0.000 2.721 10 M HA 0.767 5.247 4.480 0.000 0.000 0.271 10 M C -3.210 173.112 176.300 0.036 0.000 1.259 10 M CA -1.807 53.507 55.300 0.023 0.000 0.835 10 M CB 1.337 33.946 32.600 0.014 0.000 1.689 10 M HN -0.284 nan 8.290 nan 0.000 0.470 11 P HA -0.037 nan 4.420 nan 0.000 0.261 11 P C 0.642 177.967 177.300 0.042 0.000 1.173 11 P CA -0.012 63.107 63.100 0.032 0.000 0.760 11 P CB 0.410 32.123 31.700 0.021 0.000 0.783 12 V N 0.553 120.494 119.914 0.045 0.000 3.643 12 V HA 0.020 4.140 4.120 0.000 0.000 0.280 12 V C 1.638 177.749 176.094 0.027 0.000 1.351 12 V CA 0.629 62.959 62.300 0.050 0.000 1.073 12 V CB -0.812 31.046 31.823 0.059 0.000 0.863 12 V HN 0.398 nan 8.190 nan 0.000 0.436 13 N N 2.366 121.074 118.700 0.013 0.000 2.036 13 N HA -0.334 4.406 4.740 0.000 0.000 0.195 13 N C 1.762 177.257 175.510 -0.024 0.000 1.037 13 N CA 2.525 55.566 53.050 -0.015 0.000 0.855 13 N CB -0.758 37.720 38.487 -0.014 0.000 1.033 13 N HN 0.616 nan 8.380 nan 0.000 0.423 14 Q N 0.355 120.143 119.800 -0.019 0.000 2.119 14 Q HA 0.096 4.436 4.340 0.000 0.000 0.201 14 Q C 1.961 178.000 176.000 0.066 0.000 0.972 14 Q CA 1.603 57.395 55.803 -0.019 0.000 0.847 14 Q CB -0.381 28.339 28.738 -0.031 0.000 0.903 14 Q HN 0.424 nan 8.270 nan 0.000 0.433 15 S N -0.192 115.543 115.700 0.058 0.000 2.382 15 S HA -0.058 4.412 4.470 0.000 0.000 0.228 15 S C 1.776 176.401 174.600 0.042 0.000 1.027 15 S CA 1.222 59.465 58.200 0.072 0.000 0.991 15 S CB -0.257 62.998 63.200 0.092 0.000 0.823 15 S HN 0.418 nan 8.310 nan 0.000 0.469 16 I N -0.020 120.559 120.570 0.016 0.000 2.252 16 I HA -0.185 3.985 4.170 0.000 0.000 0.245 16 I C 2.226 178.321 176.117 -0.036 0.000 1.102 16 I CA 1.308 62.592 61.300 -0.028 0.000 1.385 16 I CB -0.391 37.580 38.000 -0.048 0.000 1.064 16 I HN 0.302 nan 8.210 nan 0.000 0.414 17 Y N 2.142 122.334 120.300 -0.180 0.000 2.128 17 Y HA -0.336 4.214 4.550 0.000 0.000 0.284 17 Y C 2.167 178.021 175.900 -0.077 0.000 1.154 17 Y CA 1.968 59.947 58.100 -0.201 0.000 1.149 17 Y CB -0.266 38.082 38.460 -0.186 0.000 0.976 17 Y HN 0.188 nan 8.280 nan 0.000 0.505 18 D N 0.066 120.582 120.400 0.194 0.000 2.117 18 D HA -0.160 4.481 4.640 0.000 0.000 0.197 18 D C 2.310 178.618 176.300 0.013 0.000 0.987 18 D CA 1.515 55.587 54.000 0.120 0.000 0.829 18 D CB -0.674 40.208 40.800 0.137 0.000 0.961 18 D HN 0.485 nan 8.370 nan 0.000 0.460 19 A N 0.696 123.514 122.820 -0.003 0.000 1.902 19 A HA -0.122 4.198 4.320 0.000 0.000 0.217 19 A C 2.373 179.925 177.584 -0.053 0.000 1.181 19 A CA 0.941 52.961 52.037 -0.028 0.000 0.623 19 A CB -0.809 18.160 19.000 -0.052 0.000 0.818 19 A HN 0.218 nan 8.150 nan 0.000 0.443 20 L N 0.076 121.245 121.223 -0.090 0.000 2.131 20 L HA -0.158 4.182 4.340 0.000 0.000 0.210 20 L C 2.964 179.758 176.870 -0.126 0.000 1.092 20 L CA 1.728 56.500 54.840 -0.113 0.000 0.759 20 L CB -0.907 41.077 42.059 -0.125 0.000 0.903 20 L HN 0.689 nan 8.230 nan 0.000 0.435 21 T N -2.551 111.908 114.554 -0.159 0.000 2.867 21 T HA -0.113 4.237 4.350 0.000 0.000 0.268 21 T C 1.590 176.266 174.700 -0.039 0.000 1.057 21 T CA 1.191 63.212 62.100 -0.131 0.000 1.136 21 T CB -0.637 68.141 68.868 -0.151 0.000 0.874 21 T HN 0.290 nan 8.240 nan 0.000 0.466 22 V N -1.313 118.595 119.914 -0.009 0.000 3.623 22 V HA 0.441 4.561 4.120 0.000 0.000 0.271 22 V C 1.644 177.809 176.094 0.118 0.000 1.248 22 V CA 0.417 62.745 62.300 0.047 0.000 1.156 22 V CB -0.924 30.924 31.823 0.042 0.000 0.870 22 V HN 0.486 nan 8.190 nan 0.000 0.453 23 L N -0.179 121.053 121.223 0.016 0.000 2.857 23 L HA 0.310 4.651 4.340 0.000 0.000 0.249 23 L C 2.074 178.768 176.870 -0.293 0.000 1.172 23 L CA 0.110 54.878 54.840 -0.119 0.000 0.980 23 L CB 0.224 42.205 42.059 -0.129 0.000 1.299 23 L HN 0.328 nan 8.230 nan 0.000 0.535 24 Q N 0.832 120.572 119.800 -0.100 0.000 2.234 24 Q HA -0.224 4.116 4.340 0.000 0.000 0.206 24 Q C 2.208 178.119 176.000 -0.148 0.000 0.980 24 Q CA 1.730 57.467 55.803 -0.110 0.000 0.869 24 Q CB -0.062 28.647 28.738 -0.048 0.000 0.912 24 Q HN 0.638 nan 8.270 nan 0.000 0.436 25 H N -1.339 117.658 119.070 -0.121 0.000 2.545 25 H HA 0.039 4.595 4.556 0.000 0.000 0.282 25 H C 0.984 176.161 175.328 -0.252 0.000 1.020 25 H CA 0.996 56.946 56.048 -0.164 0.000 1.243 25 H CB -0.099 29.552 29.762 -0.185 0.000 1.377 25 H HN 0.301 nan 8.280 nan 0.000 0.581 26 R N 0.672 120.724 120.500 -0.746 0.000 2.299 26 R HA 0.212 4.552 4.340 0.000 0.000 0.197 26 R C 0.214 176.531 176.300 0.027 0.000 0.971 26 R CA 0.582 56.396 56.100 -0.477 0.000 1.030 26 R CB 0.717 30.796 30.300 -0.369 0.000 0.932 26 R HN 0.416 nan 8.270 nan 0.000 0.477 27 G N 0.387 109.168 108.800 -0.031 0.000 2.093 27 G HA2 0.066 4.026 3.960 0.000 0.000 0.298 27 G HA3 0.066 4.026 3.960 0.000 0.000 0.298 27 G C -0.727 174.121 174.900 -0.086 0.000 1.713 27 G CA -0.683 44.433 45.100 0.027 0.000 0.907 27 G HN -0.001 nan 8.290 nan 0.000 0.702 28 Q N 0.815 120.530 119.800 -0.142 0.000 2.217 28 Q HA 0.181 4.521 4.340 0.000 0.000 0.217 28 Q C 1.462 177.399 176.000 -0.106 0.000 0.844 28 Q CA 0.189 55.923 55.803 -0.115 0.000 0.957 28 Q CB 1.027 29.695 28.738 -0.115 0.000 1.127 28 Q HN 0.648 nan 8.270 nan 0.000 0.503 29 D N 0.459 120.792 120.400 -0.112 0.000 2.149 29 D HA 0.052 4.693 4.640 0.000 0.000 0.201 29 D C 0.017 176.288 176.300 -0.049 0.000 0.972 29 D CA 0.911 54.862 54.000 -0.082 0.000 0.835 29 D CB 0.411 41.167 40.800 -0.073 0.000 0.966 29 D HN 0.226 nan 8.370 nan 0.000 0.476 30 A N -1.196 121.609 122.820 -0.026 0.000 2.610 30 A HA 0.785 5.105 4.320 0.000 0.000 0.291 30 A C -1.625 175.968 177.584 0.014 0.000 1.086 30 A CA -0.237 51.788 52.037 -0.021 0.000 0.677 30 A CB 1.347 20.345 19.000 -0.003 0.000 1.278 30 A HN 0.286 nan 8.150 nan 0.000 0.414 31 A N -0.544 122.279 122.820 0.005 0.000 2.572 31 A HA 0.954 5.274 4.320 0.000 0.000 0.295 31 A C -0.246 177.439 177.584 0.168 0.000 1.072 31 A CA -0.100 52.008 52.037 0.117 0.000 0.691 31 A CB 1.709 20.819 19.000 0.182 0.000 1.291 31 A HN 2.449 nan 8.150 nan 0.000 0.404 32 G N 0.107 109.098 108.800 0.318 0.000 2.719 32 G HA2 0.614 4.574 3.960 0.000 0.000 0.298 32 G HA3 0.614 4.574 3.960 0.000 0.000 0.298 32 G C -1.455 173.625 174.900 0.300 0.000 1.411 32 G CA -0.370 44.911 45.100 0.300 0.000 0.991 32 G HN 0.689 nan 8.290 nan 0.000 0.509 33 I N 1.822 122.566 120.570 0.290 0.000 2.533 33 I HA 0.541 4.711 4.170 0.000 0.000 0.290 33 I C -0.981 175.184 176.117 0.080 0.000 1.056 33 I CA -0.867 60.479 61.300 0.076 0.000 1.057 33 I CB 2.447 40.346 38.000 -0.168 0.000 1.240 33 I HN 0.415 nan 8.210 nan 0.000 0.423 34 I N 5.422 126.011 120.570 0.033 0.000 2.569 34 I HA 0.537 4.707 4.170 0.000 0.000 0.290 34 I C -0.488 175.661 176.117 0.054 0.000 1.088 34 I CA 0.087 61.393 61.300 0.011 0.000 1.047 34 I CB 2.129 40.062 38.000 -0.113 0.000 1.237 34 I HN 0.728 nan 8.210 nan 0.000 0.421 35 T N 4.601 119.219 114.554 0.105 0.000 2.926 35 T HA 0.632 4.982 4.350 0.000 0.000 0.289 35 T C -0.469 174.365 174.700 0.225 0.000 1.054 35 T CA -0.780 61.403 62.100 0.139 0.000 1.015 35 T CB 1.816 70.739 68.868 0.092 0.000 1.167 35 T HN 0.392 nan 8.240 nan 0.000 0.526 36 I N 2.596 123.272 120.570 0.178 0.000 2.339 36 I HA 0.317 4.487 4.170 0.000 0.000 0.290 36 I C -0.107 176.040 176.117 0.050 0.000 0.994 36 I CA -0.805 60.560 61.300 0.108 0.000 1.191 36 I CB 1.389 39.431 38.000 0.069 0.000 1.343 36 I HN 0.841 nan 8.210 nan 0.000 0.458 37 D N 5.495 125.907 120.400 0.020 0.000 2.478 37 D HA 0.217 4.857 4.640 0.000 0.000 0.269 37 D C 1.110 177.410 176.300 0.001 0.000 1.232 37 D CA -0.531 53.479 54.000 0.018 0.000 1.059 37 D CB 0.848 41.661 40.800 0.022 0.000 1.104 37 D HN 0.477 nan 8.370 nan 0.000 0.566 38 A N -0.263 122.560 122.820 0.006 0.000 2.070 38 A HA -0.178 4.142 4.320 0.000 0.000 0.220 38 A C 1.437 179.016 177.584 -0.008 0.000 1.159 38 A CA 0.973 53.010 52.037 0.001 0.000 0.656 38 A CB -0.714 18.289 19.000 0.005 0.000 0.800 38 A HN 0.565 nan 8.150 nan 0.000 0.453 39 N N 0.384 119.077 118.700 -0.012 0.000 2.270 39 N HA -0.011 4.729 4.740 0.000 0.000 0.198 39 N C -0.459 175.027 175.510 -0.040 0.000 1.117 39 N CA 0.093 53.132 53.050 -0.019 0.000 0.845 39 N CB 0.001 38.480 38.487 -0.013 0.000 0.980 39 N HN 0.358 nan 8.380 nan 0.000 0.486 40 N N 0.323 118.990 118.700 -0.055 0.000 2.756 40 N HA -0.158 4.582 4.740 0.000 0.000 0.248 40 N C -1.108 174.301 175.510 -0.168 0.000 1.062 40 N CA 0.567 53.558 53.050 -0.100 0.000 0.696 40 N CB -1.739 36.704 38.487 -0.072 0.000 0.946 40 N HN 0.255 nan 8.380 nan 0.000 0.548 41 C N 0.267 119.471 119.300 -0.160 0.000 2.634 41 C HA 0.613 5.073 4.460 0.000 0.000 0.313 41 C C 0.420 175.309 174.990 -0.168 0.000 1.198 41 C CA -0.877 58.031 59.018 -0.185 0.000 1.605 41 C CB 1.033 28.737 27.740 -0.059 0.000 2.196 41 C HN 0.239 nan 8.230 nan 0.000 0.486 42 F N 2.560 122.452 119.950 -0.098 0.000 2.399 42 F HA 0.533 5.061 4.527 0.000 0.000 0.342 42 F C 0.990 176.716 175.800 -0.123 0.000 1.106 42 F CA -0.079 57.822 58.000 -0.166 0.000 1.196 42 F CB 0.613 39.354 39.000 -0.431 0.000 1.163 42 F HN 0.234 nan 8.300 nan 0.000 0.547 43 R N 3.255 123.844 120.500 0.149 0.000 2.513 43 R HA 0.627 4.967 4.340 0.000 0.000 0.301 43 R C -1.628 174.725 176.300 0.087 0.000 0.968 43 R CA -0.967 55.194 56.100 0.102 0.000 0.872 43 R CB 2.183 32.541 30.300 0.097 0.000 1.177 43 R HN 0.637 nan 8.270 nan 0.000 0.444 44 L N 2.056 123.335 121.223 0.094 0.000 2.401 44 L HA 0.663 5.003 4.340 0.000 0.000 0.266 44 L C -1.242 175.712 176.870 0.140 0.000 0.991 44 L CA -0.615 54.286 54.840 0.102 0.000 0.818 44 L CB 1.921 44.036 42.059 0.094 0.000 1.321 44 L HN 0.517 nan 8.230 nan 0.000 0.413 45 R N 3.493 124.095 120.500 0.171 0.000 2.515 45 R HA 0.684 5.024 4.340 0.000 0.000 0.291 45 R C -1.938 174.433 176.300 0.117 0.000 1.046 45 R CA -0.558 55.621 56.100 0.131 0.000 0.914 45 R CB 1.081 31.506 30.300 0.208 0.000 1.191 45 R HN 0.743 nan 8.270 nan 0.000 0.435 46 K N 2.509 122.884 120.400 -0.042 0.000 2.523 46 K HA 0.925 5.245 4.320 0.000 0.000 0.257 46 K C -1.716 174.787 176.600 -0.162 0.000 0.932 46 K CA -0.924 55.313 56.287 -0.083 0.000 0.812 46 K CB 2.191 34.661 32.500 -0.050 0.000 1.326 46 K HN 0.580 nan 8.250 nan 0.000 0.433 47 A N 2.044 124.745 122.820 -0.199 0.000 2.566 47 A HA 0.424 4.744 4.320 0.000 0.000 0.290 47 A C -1.697 175.800 177.584 -0.146 0.000 1.071 47 A CA -1.091 50.842 52.037 -0.173 0.000 0.658 47 A CB 0.981 19.845 19.000 -0.227 0.000 1.285 47 A HN 0.823 nan 8.150 nan 0.000 0.427 48 N N -0.360 118.277 118.700 -0.104 0.000 2.508 48 N HA 0.534 5.274 4.740 0.000 0.000 0.264 48 N C 0.282 175.734 175.510 -0.097 0.000 1.216 48 N CA 1.707 54.709 53.050 -0.080 0.000 0.943 48 N CB 0.910 39.364 38.487 -0.055 0.000 1.113 48 N HN 1.698 nan 8.380 nan 0.000 0.447 49 G N -0.281 108.470 108.800 -0.082 0.000 2.381 49 G HA2 -0.089 3.871 3.960 0.000 0.000 0.672 49 G HA3 -0.089 3.871 3.960 0.000 0.000 0.672 49 G C -1.014 173.841 174.900 -0.075 0.000 1.324 49 G CA -1.043 44.011 45.100 -0.078 0.000 0.975 49 G HN 0.423 nan 8.290 nan 0.000 0.593 50 L N 0.246 121.436 121.223 -0.056 0.000 2.464 50 L HA 0.214 4.554 4.340 0.000 0.000 0.264 50 L C 2.294 179.143 176.870 -0.036 0.000 1.199 50 L CA -0.610 54.205 54.840 -0.043 0.000 0.818 50 L CB 0.708 42.752 42.059 -0.024 0.000 1.102 50 L HN 0.479 nan 8.230 nan 0.000 0.473 51 V N 0.648 120.554 119.914 -0.014 0.000 2.332 51 V HA -0.289 3.831 4.120 0.000 0.000 0.248 51 V C 2.381 178.539 176.094 0.106 0.000 1.055 51 V CA 2.275 64.616 62.300 0.068 0.000 1.038 51 V CB -0.602 31.164 31.823 -0.095 0.000 0.651 51 V HN 1.061 nan 8.190 nan 0.000 0.450 52 S N -0.728 114.993 115.700 0.035 0.000 2.474 52 S HA -0.176 4.295 4.470 0.000 0.000 0.235 52 S C 1.412 176.115 174.600 0.171 0.000 0.997 52 S CA 1.464 59.764 58.200 0.167 0.000 0.949 52 S CB -0.282 62.992 63.200 0.123 0.000 0.766 52 S HN 0.624 nan 8.310 nan 0.000 0.517 53 D N 0.619 121.063 120.400 0.073 0.000 2.380 53 D HA 0.214 4.854 4.640 0.000 0.000 0.212 53 D C 1.919 178.195 176.300 -0.040 0.000 1.021 53 D CA 0.314 54.335 54.000 0.035 0.000 0.884 53 D CB 0.129 40.931 40.800 0.003 0.000 1.001 53 D HN 0.313 nan 8.370 nan 0.000 0.506 54 V N 0.505 120.313 119.914 -0.177 0.000 2.379 54 V HA -0.081 4.039 4.120 0.000 0.000 0.245 54 V C 0.430 176.128 176.094 -0.659 0.000 1.044 54 V CA 1.014 62.999 62.300 -0.525 0.000 1.036 54 V CB -0.261 31.036 31.823 -0.877 0.000 0.664 54 V HN 0.011 nan 8.190 nan 0.000 0.453 55 F N 0.743 120.774 119.950 0.134 0.000 2.334 55 F HA 0.482 5.009 4.527 0.000 0.000 0.367 55 F C 0.494 176.477 175.800 0.305 0.000 1.115 55 F CA -0.773 57.366 58.000 0.233 0.000 1.116 55 F CB 0.253 39.454 39.000 0.333 0.000 1.230 55 F HN 0.071 nan 8.300 nan 0.000 0.484 56 E N 0.920 121.474 120.200 0.590 0.000 2.254 56 E HA 0.547 4.897 4.350 0.000 0.000 0.261 56 E C 0.860 177.550 176.600 0.151 0.000 1.051 56 E CA -0.529 56.043 56.400 0.287 0.000 0.902 56 E CB 1.310 31.114 29.700 0.173 0.000 1.168 56 E HN 0.612 nan 8.360 nan 0.000 0.423 57 A N 1.504 124.348 122.820 0.040 0.000 1.948 57 A HA -0.268 4.052 4.320 0.000 0.000 0.220 57 A C 2.019 179.588 177.584 -0.025 0.000 1.177 57 A CA 2.142 54.178 52.037 -0.000 0.000 0.636 57 A CB -0.704 18.287 19.000 -0.015 0.000 0.815 57 A HN 0.709 nan 8.150 nan 0.000 0.449 58 R N -1.493 118.941 120.500 -0.110 0.000 2.115 58 R HA -0.137 4.203 4.340 0.000 0.000 0.230 58 R C 1.796 178.026 176.300 -0.117 0.000 1.111 58 R CA 1.592 57.602 56.100 -0.149 0.000 0.976 58 R CB -0.779 29.388 30.300 -0.223 0.000 0.870 58 R HN 0.634 nan 8.270 nan 0.000 0.445 59 H N 0.570 119.693 119.070 0.089 0.000 2.363 59 H HA 0.070 4.626 4.556 0.000 0.000 0.301 59 H C 2.229 177.633 175.328 0.127 0.000 1.074 59 H CA 1.364 57.490 56.048 0.130 0.000 1.354 59 H CB -0.086 29.799 29.762 0.204 0.000 1.397 59 H HN 0.170 nan 8.280 nan 0.000 0.516 60 M N 0.923 120.653 119.600 0.217 0.000 2.149 60 M HA -0.155 4.325 4.480 0.000 0.000 0.261 60 M C 2.261 178.597 176.300 0.060 0.000 1.064 60 M CA 1.145 56.507 55.300 0.104 0.000 1.102 60 M CB -0.843 31.768 32.600 0.018 0.000 1.369 60 M HN 0.271 nan 8.290 nan 0.000 0.408 61 Q N 1.067 120.894 119.800 0.045 0.000 2.124 61 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 61 Q C 1.895 177.922 176.000 0.045 0.000 0.977 61 Q CA 1.485 57.305 55.803 0.029 0.000 0.850 61 Q CB -0.129 28.616 28.738 0.011 0.000 0.901 61 Q HN 0.523 nan 8.270 nan 0.000 0.429 62 R N -0.224 120.319 120.500 0.071 0.000 2.153 62 R HA 0.084 4.424 4.340 0.000 0.000 0.218 62 R C 1.067 177.419 176.300 0.085 0.000 1.072 62 R CA 0.230 56.379 56.100 0.082 0.000 0.990 62 R CB -0.062 30.306 30.300 0.112 0.000 0.889 62 R HN 0.181 nan 8.270 nan 0.000 0.452 63 L N 2.874 124.152 121.223 0.092 0.000 2.416 63 L HA 0.069 4.409 4.340 0.000 0.000 0.243 63 L C -0.085 176.818 176.870 0.055 0.000 1.373 63 L CA 0.045 54.932 54.840 0.080 0.000 1.227 63 L CB -0.324 41.782 42.059 0.078 0.000 1.428 63 L HN 0.090 nan 8.230 nan 0.000 0.425 64 Q N 0.937 120.769 119.800 0.054 0.000 2.260 64 Q HA 0.722 5.062 4.340 0.000 0.000 0.242 64 Q C 0.441 176.469 176.000 0.046 0.000 0.932 64 Q CA -0.163 55.665 55.803 0.042 0.000 0.891 64 Q CB 1.983 30.742 28.738 0.035 0.000 1.222 64 Q HN 0.537 nan 8.270 nan 0.000 0.453 65 G N 1.121 109.945 108.800 0.039 0.000 2.334 65 G HA2 -0.114 3.846 3.960 0.000 0.000 0.566 65 G HA3 -0.114 3.846 3.960 0.000 0.000 0.566 65 G C -0.746 174.181 174.900 0.046 0.000 1.413 65 G CA -0.890 44.236 45.100 0.043 0.000 0.993 65 G HN 0.556 nan 8.290 nan 0.000 0.642 66 N N -0.401 118.328 118.700 0.049 0.000 2.230 66 N HA 0.234 4.974 4.740 0.000 0.000 0.202 66 N C 0.420 175.974 175.510 0.072 0.000 1.119 66 N CA 0.407 53.490 53.050 0.055 0.000 0.851 66 N CB 0.619 39.133 38.487 0.045 0.000 0.990 66 N HN 0.646 nan 8.380 nan 0.000 0.497 67 M N -0.158 119.491 119.600 0.081 0.000 2.386 67 M HA 0.596 5.076 4.480 0.000 0.000 0.293 67 M C -1.363 175.001 176.300 0.106 0.000 1.120 67 M CA -0.533 54.827 55.300 0.100 0.000 0.909 67 M CB 2.227 34.895 32.600 0.112 0.000 1.661 67 M HN 0.077 nan 8.290 nan 0.000 0.452 68 G N 3.918 112.778 108.800 0.099 0.000 2.576 68 G HA2 0.631 4.591 3.960 0.000 0.000 0.290 68 G HA3 0.631 4.591 3.960 0.000 0.000 0.290 68 G C -2.059 172.884 174.900 0.071 0.000 1.442 68 G CA -0.814 44.340 45.100 0.089 0.000 0.792 68 G HN 1.067 nan 8.290 nan 0.000 0.491 69 I N -1.796 118.809 120.570 0.059 0.000 2.934 69 I HA 0.995 5.165 4.170 0.000 0.000 0.306 69 I C 0.058 176.198 176.117 0.038 0.000 1.110 69 I CA -1.260 60.071 61.300 0.052 0.000 1.019 69 I CB 2.487 40.531 38.000 0.072 0.000 1.227 69 I HN 0.925 nan 8.210 nan 0.000 0.434 70 G N 1.886 110.712 108.800 0.043 0.000 2.642 70 G HA2 0.564 4.524 3.960 0.000 0.000 0.293 70 G HA3 0.564 4.524 3.960 0.000 0.000 0.293 70 G C -2.118 172.857 174.900 0.125 0.000 1.341 70 G CA -0.450 44.682 45.100 0.053 0.000 0.916 70 G HN 0.926 nan 8.290 nan 0.000 0.474 71 H N -0.528 118.556 119.070 0.024 0.000 2.974 71 H HA 0.535 5.091 4.556 0.000 0.000 0.366 71 H C -1.394 173.954 175.328 0.033 0.000 1.155 71 H CA -0.485 55.578 56.048 0.025 0.000 1.186 71 H CB 2.305 32.081 29.762 0.023 0.000 1.799 71 H HN 0.657 nan 8.280 nan 0.000 0.541 72 V N 2.894 122.547 119.914 -0.435 0.000 2.540 72 V HA 0.609 4.729 4.120 0.000 0.000 0.302 72 V C -0.081 175.781 176.094 -0.388 0.000 1.035 72 V CA -1.063 61.097 62.300 -0.232 0.000 0.873 72 V CB 1.795 33.526 31.823 -0.155 0.000 0.992 72 V HN 0.720 nan 8.190 nan 0.000 0.428 73 R N 3.045 123.514 120.500 -0.052 0.000 2.407 73 R HA 0.517 4.857 4.340 0.000 0.000 0.303 73 R C -1.840 174.526 176.300 0.110 0.000 0.981 73 R CA -0.690 55.475 56.100 0.109 0.000 0.905 73 R CB 1.394 31.836 30.300 0.237 0.000 1.099 73 R HN 0.884 nan 8.270 nan 0.000 0.459 74 Y N 6.102 126.439 120.300 0.062 0.000 2.328 74 Y HA 0.404 4.954 4.550 0.000 0.000 0.333 74 Y C -2.239 173.709 175.900 0.080 0.000 0.958 74 Y CA -2.864 55.287 58.100 0.084 0.000 1.167 74 Y CB 1.392 39.946 38.460 0.156 0.000 1.151 74 Y HN 0.597 nan 8.280 nan 0.000 0.470 75 P HA 0.083 nan 4.420 nan 0.000 0.264 75 P C -0.679 176.775 177.300 0.257 0.000 1.183 75 P CA 0.531 63.743 63.100 0.186 0.000 0.763 75 P CB 0.585 32.331 31.700 0.076 0.000 0.807 76 T N -1.129 113.516 114.554 0.151 0.000 2.812 76 T HA 0.718 5.068 4.350 0.000 0.000 0.294 76 T C -0.581 174.143 174.700 0.041 0.000 1.159 76 T CA -1.135 61.019 62.100 0.091 0.000 1.008 76 T CB 1.081 69.987 68.868 0.063 0.000 1.289 76 T HN 0.283 nan 8.240 nan 0.000 0.514 77 A N -0.156 122.661 122.820 -0.005 0.000 2.522 77 A HA 0.562 4.882 4.320 0.000 0.000 0.256 77 A C 1.603 179.171 177.584 -0.027 0.000 1.086 77 A CA 0.571 52.580 52.037 -0.047 0.000 0.763 77 A CB -1.442 17.492 19.000 -0.110 0.000 1.024 77 A HN 2.407 nan 8.150 nan 0.000 0.502 78 G N 1.635 110.418 108.800 -0.029 0.000 2.258 78 G HA2 -0.197 3.763 3.960 0.000 0.000 0.233 78 G HA3 -0.197 3.763 3.960 0.000 0.000 0.233 78 G C 0.384 175.306 174.900 0.037 0.000 1.006 78 G CA 0.344 45.441 45.100 -0.004 0.000 0.620 78 G HN 1.541 nan 8.290 nan 0.000 0.511 79 S N 1.392 117.127 115.700 0.059 0.000 2.062 79 S HA 0.621 5.091 4.470 0.000 0.000 0.163 79 S C 0.344 174.991 174.600 0.078 0.000 1.612 79 S CA 0.233 58.489 58.200 0.093 0.000 1.251 79 S CB 0.978 64.259 63.200 0.136 0.000 1.174 79 S HN 1.409 nan 8.310 nan 0.000 0.428 80 S N 0.958 116.688 115.700 0.050 0.000 2.606 80 S HA 0.257 4.727 4.470 0.000 0.000 0.257 80 S C 1.485 176.106 174.600 0.036 0.000 1.327 80 S CA -0.147 58.074 58.200 0.035 0.000 0.984 80 S CB 0.918 64.127 63.200 0.015 0.000 0.941 80 S HN 0.340 nan 8.310 nan 0.000 0.576 81 S N 0.465 116.176 115.700 0.019 0.000 2.419 81 S HA -0.048 4.422 4.470 0.000 0.000 0.233 81 S C 1.785 176.387 174.600 0.005 0.000 1.016 81 S CA 0.997 59.201 58.200 0.006 0.000 0.974 81 S CB -1.059 62.133 63.200 -0.013 0.000 0.786 81 S HN 0.946 nan 8.310 nan 0.000 0.492 82 A N 0.804 123.629 122.820 0.008 0.000 2.132 82 A HA 0.298 4.618 4.320 0.000 0.000 0.213 82 A C 1.281 178.876 177.584 0.019 0.000 1.154 82 A CA 0.570 52.612 52.037 0.008 0.000 0.753 82 A CB -0.415 18.588 19.000 0.005 0.000 0.826 82 A HN 0.632 nan 8.150 nan 0.000 0.469 83 S N -0.232 115.488 115.700 0.033 0.000 2.632 83 S HA 0.321 4.791 4.470 0.000 0.000 0.267 83 S C -0.004 174.633 174.600 0.063 0.000 1.276 83 S CA -0.560 57.673 58.200 0.055 0.000 0.998 83 S CB 0.657 63.901 63.200 0.073 0.000 0.953 83 S HN 0.436 nan 8.310 nan 0.000 0.547 84 E N 0.678 120.936 120.200 0.097 0.000 2.480 84 E HA 0.338 4.688 4.350 0.000 0.000 0.258 84 E C 0.430 177.033 176.600 0.004 0.000 0.984 84 E CA -0.323 56.119 56.400 0.070 0.000 0.930 84 E CB 0.330 30.129 29.700 0.166 0.000 0.936 84 E HN 0.765 nan 8.360 nan 0.000 0.466 85 A N 4.436 127.176 122.820 -0.134 0.000 2.267 85 A HA 0.200 4.520 4.320 0.000 0.000 0.271 85 A C -0.027 177.205 177.584 -0.588 0.000 1.131 85 A CA -0.231 51.686 52.037 -0.200 0.000 0.818 85 A CB 0.576 19.510 19.000 -0.109 0.000 1.118 85 A HN 0.783 nan 8.150 nan 0.000 0.501 86 Q N -0.404 119.085 119.800 -0.517 0.000 2.204 86 Q HA 0.419 4.759 4.340 0.000 0.000 0.254 86 Q C -2.439 173.357 176.000 -0.339 0.000 0.981 86 Q CA -1.834 53.548 55.803 -0.701 0.000 0.897 86 Q CB 0.820 29.035 28.738 -0.871 0.000 1.273 86 Q HN 0.445 nan 8.270 nan 0.000 0.464 87 P HA 0.104 nan 4.420 nan 0.000 0.274 87 P C -1.164 175.958 177.300 -0.297 0.000 1.237 87 P CA 0.071 63.042 63.100 -0.214 0.000 0.793 87 P CB 0.456 32.120 31.700 -0.059 0.000 0.977 88 F N 0.931 120.880 119.950 -0.003 0.000 2.470 88 F HA 0.555 5.082 4.527 0.000 0.000 0.329 88 F C 0.175 176.017 175.800 0.069 0.000 1.072 88 F CA 0.006 58.008 58.000 0.003 0.000 0.989 88 F CB 1.155 40.140 39.000 -0.026 0.000 1.193 88 F HN 0.312 nan 8.300 nan 0.000 0.481 89 Y N 0.193 120.571 120.300 0.129 0.000 2.562 89 Y HA 0.785 5.335 4.550 0.000 0.000 0.345 89 Y C -1.713 174.255 175.900 0.113 0.000 1.045 89 Y CA -1.951 56.169 58.100 0.032 0.000 1.028 89 Y CB 1.122 39.456 38.460 -0.211 0.000 1.297 89 Y HN 0.495 nan 8.280 nan 0.000 0.463 90 V N 0.072 120.157 119.914 0.285 0.000 2.656 90 V HA 0.516 4.636 4.120 0.000 0.000 0.307 90 V C -0.579 175.711 176.094 0.327 0.000 1.051 90 V CA -0.908 61.503 62.300 0.186 0.000 0.893 90 V CB 2.024 33.910 31.823 0.105 0.000 0.999 90 V HN 0.932 nan 8.190 nan 0.000 0.426 91 N N 2.412 121.275 118.700 0.271 0.000 2.434 91 N HA 0.112 4.852 4.740 0.000 0.000 0.196 91 N C 0.293 175.887 175.510 0.141 0.000 1.183 91 N CA 0.848 54.057 53.050 0.266 0.000 0.849 91 N CB 0.274 38.899 38.487 0.231 0.000 0.992 91 N HN 1.065 nan 8.380 nan 0.000 0.460 92 S N -0.858 114.898 115.700 0.094 0.000 2.542 92 S HA 0.414 4.884 4.470 0.000 0.000 0.276 92 S C -3.288 171.286 174.600 -0.043 0.000 1.148 92 S CA -1.167 57.026 58.200 -0.012 0.000 0.886 92 S CB 3.058 66.230 63.200 -0.046 0.000 1.109 92 S HN -0.151 nan 8.310 nan 0.000 0.458 93 P HA 0.262 nan 4.420 nan 0.000 0.274 93 P C -0.210 176.949 177.300 -0.235 0.000 1.231 93 P CA 0.341 63.212 63.100 -0.382 0.000 0.790 93 P CB -0.058 31.267 31.700 -0.626 0.000 0.951 94 Y N 0.006 120.339 120.300 0.056 0.000 3.301 94 Y HA -0.280 4.270 4.550 0.000 0.000 0.459 94 Y C 1.165 177.120 175.900 0.092 0.000 1.135 94 Y CA 1.889 60.043 58.100 0.091 0.000 2.611 94 Y CB -2.619 35.921 38.460 0.133 0.000 0.841 94 Y HN 0.928 nan 8.280 nan 0.000 0.522 95 G N 0.282 109.248 108.800 0.277 0.000 3.353 95 G HA2 0.264 4.224 3.960 0.000 0.000 0.682 95 G HA3 0.264 4.224 3.960 0.000 0.000 0.682 95 G C -1.007 174.188 174.900 0.491 0.000 1.192 95 G CA -0.514 44.793 45.100 0.346 0.000 1.111 95 G HN 0.543 nan 8.290 nan 0.000 0.493 96 I N 1.264 122.154 120.570 0.533 0.000 2.619 96 I HA 0.757 4.927 4.170 0.000 0.000 0.292 96 I C 0.167 176.479 176.117 0.325 0.000 1.100 96 I CA -0.891 60.668 61.300 0.431 0.000 1.043 96 I CB 2.752 40.891 38.000 0.232 0.000 1.239 96 I HN 0.506 nan 8.210 nan 0.000 0.420 97 T N 6.095 120.758 114.554 0.182 0.000 2.893 97 T HA 0.826 5.176 4.350 0.000 0.000 0.291 97 T C -1.583 173.200 174.700 0.138 0.000 1.028 97 T CA -0.482 61.623 62.100 0.008 0.000 0.995 97 T CB 1.506 70.095 68.868 -0.465 0.000 1.051 97 T HN 0.549 nan 8.240 nan 0.000 0.470 98 L N 3.037 124.350 121.223 0.150 0.000 2.472 98 L HA 0.896 5.236 4.340 0.000 0.000 0.260 98 L C -1.380 175.565 176.870 0.125 0.000 0.963 98 L CA -0.553 54.386 54.840 0.165 0.000 0.829 98 L CB 1.857 44.042 42.059 0.210 0.000 1.348 98 L HN 0.837 nan 8.230 nan 0.000 0.408 99 A N 2.779 125.665 122.820 0.109 0.000 2.386 99 A HA 0.703 5.023 4.320 0.000 0.000 0.311 99 A C -1.715 175.988 177.584 0.198 0.000 1.068 99 A CA -0.423 51.678 52.037 0.107 0.000 0.743 99 A CB 1.153 20.241 19.000 0.146 0.000 1.258 99 A HN 0.897 nan 8.150 nan 0.000 0.429 100 H N 2.250 121.379 119.070 0.098 0.000 2.894 100 H HA 0.429 4.985 4.556 0.000 0.000 0.367 100 H C -1.710 173.746 175.328 0.214 0.000 1.144 100 H CA -0.508 55.606 56.048 0.109 0.000 1.180 100 H CB 1.646 31.447 29.762 0.065 0.000 1.758 100 H HN 0.797 nan 8.280 nan 0.000 0.541 101 N N 3.468 122.084 118.700 -0.141 0.000 2.479 101 N HA 0.488 5.228 4.740 0.000 0.000 0.261 101 N C -0.604 174.662 175.510 -0.406 0.000 0.979 101 N CA 0.207 53.124 53.050 -0.222 0.000 0.930 101 N CB 1.498 39.951 38.487 -0.056 0.000 1.172 101 N HN 0.966 nan 8.380 nan 0.000 0.499 102 G N 2.126 110.609 108.800 -0.528 0.000 2.356 102 G HA2 0.048 4.008 3.960 0.000 0.000 0.266 102 G HA3 0.048 4.008 3.960 0.000 0.000 0.266 102 G C -1.996 172.912 174.900 0.012 0.000 1.312 102 G CA -0.842 44.157 45.100 -0.169 0.000 0.922 102 G HN 0.704 nan 8.290 nan 0.000 0.480 103 N N -1.139 117.761 118.700 0.333 0.000 2.516 103 N HA 0.509 5.249 4.740 0.000 0.000 0.268 103 N C -1.265 174.482 175.510 0.395 0.000 1.096 103 N CA -0.644 52.621 53.050 0.358 0.000 0.954 103 N CB 1.539 40.167 38.487 0.236 0.000 1.676 103 N HN 0.589 nan 8.380 nan 0.000 0.490 104 L N 2.633 124.045 121.223 0.315 0.000 2.264 104 L HA 0.354 4.694 4.340 0.000 0.000 0.289 104 L C 1.392 178.389 176.870 0.213 0.000 1.044 104 L CA -0.489 54.495 54.840 0.240 0.000 0.807 104 L CB 1.341 43.474 42.059 0.123 0.000 1.192 104 L HN 0.851 nan 8.230 nan 0.000 0.425 105 T N -2.028 112.626 114.554 0.166 0.000 3.072 105 T HA -0.082 4.268 4.350 0.000 0.000 0.266 105 T C 0.974 175.558 174.700 -0.194 0.000 1.127 105 T CA 0.641 62.723 62.100 -0.029 0.000 1.107 105 T CB -0.333 68.482 68.868 -0.088 0.000 0.910 105 T HN 0.676 nan 8.240 nan 0.000 0.513 106 N N 0.508 119.180 118.700 -0.047 0.000 2.401 106 N HA 0.465 5.205 4.740 0.000 0.000 0.264 106 N C 1.208 176.728 175.510 0.018 0.000 1.238 106 N CA 0.104 53.120 53.050 -0.057 0.000 0.889 106 N CB 0.124 38.578 38.487 -0.056 0.000 1.196 106 N HN 0.317 nan 8.380 nan 0.000 0.511 107 A N 0.749 123.619 122.820 0.083 0.000 1.883 107 A HA -0.264 4.056 4.320 0.000 0.000 0.217 107 A C 2.082 179.711 177.584 0.075 0.000 1.186 107 A CA 1.525 53.616 52.037 0.090 0.000 0.624 107 A CB -1.121 17.970 19.000 0.152 0.000 0.822 107 A HN 0.590 nan 8.150 nan 0.000 0.444 108 H N -0.309 118.774 119.070 0.022 0.000 2.352 108 H HA -0.170 4.386 4.556 0.000 0.000 0.299 108 H C 2.068 177.353 175.328 -0.072 0.000 1.097 108 H CA 2.230 58.248 56.048 -0.050 0.000 1.311 108 H CB -0.079 29.517 29.762 -0.277 0.000 1.377 108 H HN 0.529 nan 8.280 nan 0.000 0.504 109 E N 0.354 120.598 120.200 0.072 0.000 2.072 109 E HA -0.098 4.252 4.350 0.000 0.000 0.191 109 E C 2.367 178.956 176.600 -0.020 0.000 0.985 109 E CA 0.561 56.981 56.400 0.033 0.000 0.801 109 E CB -0.336 29.371 29.700 0.011 0.000 0.750 109 E HN 0.277 nan 8.360 nan 0.000 0.452 110 L N 0.798 122.008 121.223 -0.023 0.000 2.042 110 L HA -0.084 4.256 4.340 0.000 0.000 0.210 110 L C 2.508 179.353 176.870 -0.042 0.000 1.076 110 L CA 1.775 56.598 54.840 -0.028 0.000 0.749 110 L CB -1.051 40.992 42.059 -0.027 0.000 0.893 110 L HN 0.190 nan 8.230 nan 0.000 0.432 111 R N -0.193 120.261 120.500 -0.077 0.000 2.096 111 R HA -0.210 4.130 4.340 0.000 0.000 0.235 111 R C 2.354 178.618 176.300 -0.060 0.000 1.127 111 R CA 1.645 57.687 56.100 -0.097 0.000 0.968 111 R CB -0.053 30.145 30.300 -0.170 0.000 0.861 111 R HN 0.290 nan 8.270 nan 0.000 0.440 112 K N 0.580 120.926 120.400 -0.090 0.000 2.025 112 K HA -0.146 4.174 4.320 0.000 0.000 0.207 112 K C 1.795 178.438 176.600 0.071 0.000 1.049 112 K CA 1.631 57.914 56.287 -0.007 0.000 0.933 112 K CB 0.077 32.560 32.500 -0.029 0.000 0.714 112 K HN 0.079 nan 8.250 nan 0.000 0.438 113 K N 0.543 120.957 120.400 0.023 0.000 2.097 113 K HA -0.097 4.223 4.320 0.000 0.000 0.206 113 K C 2.151 178.756 176.600 0.008 0.000 1.049 113 K CA 1.222 57.517 56.287 0.013 0.000 0.933 113 K CB -0.098 32.399 32.500 -0.006 0.000 0.717 113 K HN 0.158 nan 8.250 nan 0.000 0.442 114 L N -0.073 121.160 121.223 0.017 0.000 2.046 114 L HA -0.193 4.147 4.340 0.000 0.000 0.208 114 L C 2.351 179.244 176.870 0.039 0.000 1.077 114 L CA 1.149 55.997 54.840 0.014 0.000 0.747 114 L CB -0.350 41.714 42.059 0.008 0.000 0.896 114 L HN 0.139 nan 8.230 nan 0.000 0.432 115 F N 0.897 120.820 119.950 -0.045 0.000 2.084 115 F HA -0.178 4.349 4.527 0.000 0.000 0.296 115 F C 2.427 178.212 175.800 -0.024 0.000 1.111 115 F CA 1.649 59.633 58.000 -0.028 0.000 1.224 115 F CB -0.145 38.837 39.000 -0.030 0.000 0.991 115 F HN 0.015 nan 8.300 nan 0.000 0.471 116 E N -0.179 119.941 120.200 -0.133 0.000 2.107 116 E HA -0.172 4.178 4.350 0.000 0.000 0.191 116 E C 1.947 178.434 176.600 -0.188 0.000 0.982 116 E CA 1.551 57.825 56.400 -0.210 0.000 0.809 116 E CB -0.166 29.531 29.700 -0.005 0.000 0.756 116 E HN 0.615 nan 8.360 nan 0.000 0.459 117 E N -0.050 120.078 120.200 -0.121 0.000 2.216 117 E HA 0.018 4.368 4.350 0.000 0.000 0.192 117 E C 1.426 177.960 176.600 -0.111 0.000 0.973 117 E CA 0.419 56.758 56.400 -0.101 0.000 0.851 117 E CB 0.420 30.081 29.700 -0.064 0.000 0.804 117 E HN -0.051 nan 8.360 nan 0.000 0.477 118 K N 0.104 120.436 120.400 -0.114 0.000 2.402 118 K HA 0.237 4.557 4.320 0.000 0.000 0.203 118 K C 0.057 176.589 176.600 -0.114 0.000 1.077 118 K CA -0.043 56.185 56.287 -0.098 0.000 1.051 118 K CB 0.927 33.388 32.500 -0.064 0.000 0.907 118 K HN -0.046 nan 8.250 nan 0.000 0.554 119 R N 1.132 121.521 120.500 -0.185 0.000 3.641 119 R HA -0.173 4.167 4.340 0.000 0.000 0.286 119 R C -0.533 175.745 176.300 -0.036 0.000 1.153 119 R CA 0.541 56.522 56.100 -0.198 0.000 0.775 119 R CB -1.785 28.409 30.300 -0.178 0.000 1.215 119 R HN 0.121 nan 8.270 nan 0.000 0.474 120 R N 0.891 121.397 120.500 0.010 0.000 2.202 120 R HA 0.169 4.509 4.340 0.000 0.000 0.334 120 R C 0.002 176.392 176.300 0.150 0.000 1.036 120 R CA -0.689 55.447 56.100 0.061 0.000 0.878 120 R CB 0.766 31.076 30.300 0.017 0.000 1.067 120 R HN 0.159 nan 8.270 nan 0.000 0.457 121 H N 3.134 122.241 119.070 0.061 0.000 2.548 121 H HA 0.210 4.766 4.556 0.000 0.000 0.331 121 H C -0.441 174.886 175.328 -0.002 0.000 1.093 121 H CA -0.315 55.772 56.048 0.065 0.000 1.367 121 H CB 0.697 30.493 29.762 0.058 0.000 1.455 121 H HN 0.337 nan 8.280 nan 0.000 0.519 122 I N 5.311 125.541 120.570 -0.566 0.000 2.330 122 I HA 0.041 4.211 4.170 0.000 0.000 0.289 122 I C 0.647 176.272 176.117 -0.821 0.000 1.001 122 I CA -0.264 60.729 61.300 -0.511 0.000 1.193 122 I CB 1.045 38.864 38.000 -0.303 0.000 1.345 122 I HN 0.810 nan 8.210 nan 0.000 0.461 123 N N 3.378 121.745 118.700 -0.554 0.000 2.415 123 N HA -0.044 4.696 4.740 0.000 0.000 0.176 123 N C 0.792 176.222 175.510 -0.133 0.000 1.042 123 N CA 0.474 53.355 53.050 -0.280 0.000 0.902 123 N CB 0.546 39.042 38.487 0.015 0.000 0.986 123 N HN 0.784 nan 8.380 nan 0.000 0.447 124 T N -4.154 110.300 114.554 -0.166 0.000 2.819 124 T HA 0.339 4.689 4.350 0.000 0.000 0.271 124 T C 0.776 175.414 174.700 -0.104 0.000 0.986 124 T CA -0.176 61.874 62.100 -0.084 0.000 0.989 124 T CB 0.992 69.838 68.868 -0.037 0.000 1.396 124 T HN 0.056 nan 8.240 nan 0.000 0.597 125 T N -1.873 112.652 114.554 -0.048 0.000 3.182 125 T HA 0.336 4.686 4.350 0.000 0.000 0.277 125 T C 0.616 175.309 174.700 -0.012 0.000 1.013 125 T CA -0.380 61.702 62.100 -0.030 0.000 0.900 125 T CB -0.178 68.688 68.868 -0.004 0.000 1.098 125 T HN 0.593 nan 8.240 nan 0.000 0.543 126 S N 2.792 118.467 115.700 -0.040 0.000 2.505 126 S HA 0.121 4.592 4.470 0.000 0.000 0.276 126 S C 1.383 175.956 174.600 -0.044 0.000 1.274 126 S CA -0.495 57.706 58.200 0.001 0.000 1.053 126 S CB 0.392 63.623 63.200 0.051 0.000 0.919 126 S HN 0.514 nan 8.310 nan 0.000 0.490 127 D N 3.958 124.391 120.400 0.055 0.000 2.312 127 D HA -0.076 4.564 4.640 0.000 0.000 0.211 127 D C 1.303 177.593 176.300 -0.016 0.000 0.964 127 D CA 0.690 54.717 54.000 0.045 0.000 0.877 127 D CB -0.286 40.598 40.800 0.140 0.000 0.924 127 D HN 0.487 nan 8.370 nan 0.000 0.515 128 S N 0.684 116.418 115.700 0.058 0.000 2.387 128 S HA -0.146 4.324 4.470 0.000 0.000 0.226 128 S C 1.818 176.342 174.600 -0.127 0.000 1.026 128 S CA 0.827 59.050 58.200 0.039 0.000 0.972 128 S CB -0.137 63.260 63.200 0.328 0.000 0.814 128 S HN 0.403 nan 8.310 nan 0.000 0.477 129 E N 1.080 121.028 120.200 -0.420 0.000 2.077 129 E HA -0.119 4.231 4.350 0.000 0.000 0.193 129 E C 1.882 178.315 176.600 -0.279 0.000 0.989 129 E CA 0.962 56.998 56.400 -0.608 0.000 0.800 129 E CB -0.154 28.984 29.700 -0.937 0.000 0.746 129 E HN 0.486 nan 8.360 nan 0.000 0.452 130 I N 0.865 121.307 120.570 -0.213 0.000 2.226 130 I HA -0.274 3.896 4.170 0.000 0.000 0.245 130 I C 2.593 178.650 176.117 -0.099 0.000 1.100 130 I CA 0.677 61.898 61.300 -0.132 0.000 1.374 130 I CB -0.207 37.734 38.000 -0.098 0.000 1.057 130 I HN 0.236 nan 8.210 nan 0.000 0.413 131 L N 0.382 121.528 121.223 -0.127 0.000 2.012 131 L HA -0.258 4.082 4.340 0.000 0.000 0.210 131 L C 2.566 179.431 176.870 -0.008 0.000 1.073 131 L CA 1.381 56.141 54.840 -0.135 0.000 0.748 131 L CB -0.249 41.632 42.059 -0.296 0.000 0.891 131 L HN 0.246 nan 8.230 nan 0.000 0.431 132 L N -0.014 121.221 121.223 0.021 0.000 2.042 132 L HA -0.276 4.064 4.340 0.000 0.000 0.210 132 L C 2.141 179.082 176.870 0.119 0.000 1.076 132 L CA 1.909 56.831 54.840 0.137 0.000 0.749 132 L CB -1.002 41.127 42.059 0.117 0.000 0.893 132 L HN 0.319 nan 8.230 nan 0.000 0.432 133 N N -0.330 118.387 118.700 0.028 0.000 2.244 133 N HA -0.129 4.611 4.740 0.000 0.000 0.183 133 N C 1.790 177.317 175.510 0.029 0.000 1.016 133 N CA 1.502 54.560 53.050 0.014 0.000 0.866 133 N CB 0.029 38.498 38.487 -0.030 0.000 0.980 133 N HN 0.362 nan 8.380 nan 0.000 0.430 134 I N 0.677 121.269 120.570 0.037 0.000 2.202 134 I HA -0.222 3.948 4.170 0.000 0.000 0.242 134 I C 2.211 178.398 176.117 0.116 0.000 1.091 134 I CA 0.803 62.127 61.300 0.041 0.000 1.368 134 I CB -1.151 36.853 38.000 0.007 0.000 1.058 134 I HN 0.010 nan 8.210 nan 0.000 0.410 135 F N 2.340 122.269 119.950 -0.034 0.000 2.095 135 F HA -0.217 4.310 4.527 0.000 0.000 0.298 135 F C 2.544 178.348 175.800 0.007 0.000 1.104 135 F CA 1.455 59.441 58.000 -0.024 0.000 1.232 135 F CB -0.770 38.238 39.000 0.013 0.000 0.987 135 F HN 0.055 nan 8.300 nan 0.000 0.475 136 A N -0.900 121.916 122.820 -0.005 0.000 1.908 136 A HA -0.236 4.084 4.320 0.000 0.000 0.218 136 A C 2.448 179.980 177.584 -0.086 0.000 1.181 136 A CA 2.165 54.135 52.037 -0.112 0.000 0.627 136 A CB -1.515 17.475 19.000 -0.017 0.000 0.818 136 A HN 0.465 nan 8.150 nan 0.000 0.445 137 S N -0.861 114.817 115.700 -0.037 0.000 2.382 137 S HA -0.163 4.307 4.470 0.000 0.000 0.228 137 S C 1.895 176.461 174.600 -0.057 0.000 1.027 137 S CA 1.587 59.760 58.200 -0.046 0.000 0.991 137 S CB -0.339 62.843 63.200 -0.030 0.000 0.823 137 S HN 0.555 nan 8.310 nan 0.000 0.469 138 E N 0.960 121.144 120.200 -0.028 0.000 2.112 138 E HA 0.057 4.407 4.350 0.000 0.000 0.190 138 E C 2.051 178.647 176.600 -0.008 0.000 0.979 138 E CA 0.575 56.966 56.400 -0.015 0.000 0.814 138 E CB -0.416 29.325 29.700 0.068 0.000 0.762 138 E HN 0.522 nan 8.360 nan 0.000 0.460 139 L N 0.863 122.057 121.223 -0.049 0.000 2.275 139 L HA -0.132 4.208 4.340 0.000 0.000 0.215 139 L C 1.644 178.593 176.870 0.131 0.000 1.119 139 L CA 0.709 55.581 54.840 0.053 0.000 0.790 139 L CB -0.096 41.851 42.059 -0.186 0.000 0.919 139 L HN -0.041 nan 8.230 nan 0.000 0.443 140 D N -0.313 120.065 120.400 -0.037 0.000 2.338 140 D HA -0.079 4.562 4.640 0.000 0.000 0.239 140 D C 1.197 177.407 176.300 -0.150 0.000 1.095 140 D CA 0.337 54.284 54.000 -0.089 0.000 0.888 140 D CB 0.042 40.773 40.800 -0.116 0.000 0.899 140 D HN 0.125 nan 8.370 nan 0.000 0.525 141 N N -0.347 118.164 118.700 -0.314 0.000 2.270 141 N HA 0.042 4.782 4.740 0.000 0.000 0.198 141 N C -0.783 174.326 175.510 -0.668 0.000 1.117 141 N CA 0.086 52.835 53.050 -0.501 0.000 0.845 141 N CB 0.196 38.329 38.487 -0.590 0.000 0.980 141 N HN 0.126 nan 8.380 nan 0.000 0.486 142 F N -0.353 119.626 119.950 0.049 0.000 2.450 142 F HA 0.424 4.951 4.527 0.000 0.000 0.332 142 F C 1.473 177.345 175.800 0.120 0.000 1.093 142 F CA -0.871 57.197 58.000 0.112 0.000 1.003 142 F CB 1.629 40.679 39.000 0.083 0.000 1.151 142 F HN -0.309 nan 8.300 nan 0.000 0.474 143 R N -0.337 120.383 120.500 0.367 0.000 2.142 143 R HA 0.049 4.389 4.340 0.000 0.000 0.204 143 R C 0.354 176.827 176.300 0.290 0.000 1.059 143 R CA 0.289 56.542 56.100 0.254 0.000 1.055 143 R CB -0.386 30.026 30.300 0.187 0.000 0.976 143 R HN 0.623 nan 8.270 nan 0.000 0.483 144 H N -0.656 118.531 119.070 0.194 0.000 2.679 144 H HA 0.153 4.709 4.556 0.000 0.000 0.369 144 H C -0.961 174.504 175.328 0.229 0.000 1.178 144 H CA -0.252 55.897 56.048 0.169 0.000 1.419 144 H CB 0.346 30.168 29.762 0.100 0.000 1.458 144 H HN 0.084 nan 8.280 nan 0.000 0.605 145 Y N 2.370 122.660 120.300 -0.016 0.000 2.457 145 Y HA 0.373 4.923 4.550 0.000 0.000 0.343 145 Y C -2.435 173.448 175.900 -0.027 0.000 0.994 145 Y CA -1.854 56.216 58.100 -0.050 0.000 1.031 145 Y CB 1.667 40.155 38.460 0.048 0.000 1.246 145 Y HN 0.744 nan 8.280 nan 0.000 0.449 146 P HA 0.379 nan 4.420 nan 0.000 0.284 146 P C -1.081 175.855 177.300 -0.607 0.000 1.292 146 P CA -0.592 61.739 63.100 -1.281 0.000 0.800 146 P CB 1.496 32.450 31.700 -1.244 0.000 1.188 147 L N 0.446 121.386 121.223 -0.472 0.000 2.439 147 L HA 0.175 4.515 4.340 0.000 0.000 0.269 147 L C 1.125 177.784 176.870 -0.352 0.000 1.179 147 L CA -0.268 54.228 54.840 -0.573 0.000 0.828 147 L CB 0.069 41.632 42.059 -0.825 0.000 1.106 147 L HN 0.353 nan 8.230 nan 0.000 0.467 148 E N 0.970 120.981 120.200 -0.315 0.000 2.280 148 E HA 0.225 4.575 4.350 0.000 0.000 0.261 148 E C 0.675 177.021 176.600 -0.423 0.000 1.088 148 E CA -0.198 56.051 56.400 -0.252 0.000 0.915 148 E CB 1.372 30.981 29.700 -0.151 0.000 1.141 148 E HN 0.654 nan 8.360 nan 0.000 0.433 149 A N 1.566 124.098 122.820 -0.480 0.000 1.940 149 A HA -0.214 4.106 4.320 0.000 0.000 0.219 149 A C 1.449 178.690 177.584 -0.572 0.000 1.176 149 A CA 1.759 53.349 52.037 -0.744 0.000 0.631 149 A CB -0.305 18.048 19.000 -1.078 0.000 0.814 149 A HN 0.466 nan 8.150 nan 0.000 0.446 150 D N 0.011 120.245 120.400 -0.277 0.000 2.149 150 D HA -0.141 4.499 4.640 0.000 0.000 0.198 150 D C 1.720 177.920 176.300 -0.168 0.000 0.990 150 D CA 1.577 55.523 54.000 -0.089 0.000 0.839 150 D CB -0.540 40.224 40.800 -0.060 0.000 0.948 150 D HN 0.717 nan 8.370 nan 0.000 0.460 151 N N 0.011 118.483 118.700 -0.380 0.000 2.171 151 N HA -0.024 4.716 4.740 0.000 0.000 0.184 151 N C 2.004 177.206 175.510 -0.513 0.000 1.021 151 N CA 0.438 53.098 53.050 -0.651 0.000 0.854 151 N CB 0.072 37.764 38.487 -1.324 0.000 0.994 151 N HN 0.125 nan 8.380 nan 0.000 0.426 152 I N 0.283 120.493 120.570 -0.600 0.000 2.226 152 I HA -0.238 3.932 4.170 0.000 0.000 0.245 152 I C 1.392 177.350 176.117 -0.265 0.000 1.100 152 I CA 1.133 62.112 61.300 -0.534 0.000 1.374 152 I CB -0.189 37.242 38.000 -0.947 0.000 1.057 152 I HN 0.059 nan 8.210 nan 0.000 0.413 153 F N 0.908 120.751 119.950 -0.178 0.000 2.186 153 F HA -0.126 4.401 4.527 0.000 0.000 0.299 153 F C 2.585 178.354 175.800 -0.052 0.000 1.090 153 F CA 0.959 58.899 58.000 -0.100 0.000 1.307 153 F CB -1.232 37.717 39.000 -0.084 0.000 1.019 153 F HN -0.001 nan 8.300 nan 0.000 0.489 154 A N -0.015 122.889 122.820 0.141 0.000 1.933 154 A HA -0.025 4.295 4.320 0.000 0.000 0.218 154 A C 2.453 180.129 177.584 0.154 0.000 1.175 154 A CA 1.721 53.845 52.037 0.144 0.000 0.628 154 A CB -1.202 17.911 19.000 0.188 0.000 0.814 154 A HN 0.284 nan 8.150 nan 0.000 0.444 155 A N -0.156 122.774 122.820 0.183 0.000 1.898 155 A HA -0.024 4.296 4.320 0.000 0.000 0.216 155 A C 2.099 179.788 177.584 0.174 0.000 1.181 155 A CA 1.429 53.594 52.037 0.214 0.000 0.620 155 A CB -0.542 18.596 19.000 0.229 0.000 0.819 155 A HN 0.485 nan 8.150 nan 0.000 0.442 156 I N -0.256 120.370 120.570 0.092 0.000 2.252 156 I HA -0.245 3.925 4.170 0.000 0.000 0.245 156 I C 2.954 178.987 176.117 -0.139 0.000 1.102 156 I CA 0.956 62.120 61.300 -0.226 0.000 1.385 156 I CB -0.300 37.458 38.000 -0.403 0.000 1.064 156 I HN 0.344 nan 8.210 nan 0.000 0.414 157 A N 0.773 123.581 122.820 -0.019 0.000 1.908 157 A HA -0.190 4.130 4.320 0.000 0.000 0.218 157 A C 2.521 180.108 177.584 0.005 0.000 1.181 157 A CA 1.966 54.002 52.037 -0.000 0.000 0.627 157 A CB -0.807 18.209 19.000 0.028 0.000 0.818 157 A HN 0.438 nan 8.150 nan 0.000 0.445 158 A N -1.271 121.562 122.820 0.022 0.000 1.930 158 A HA -0.034 4.286 4.320 0.000 0.000 0.217 158 A C 2.284 179.871 177.584 0.005 0.000 1.175 158 A CA 2.140 54.189 52.037 0.020 0.000 0.627 158 A CB -1.152 17.868 19.000 0.033 0.000 0.815 158 A HN 0.418 nan 8.150 nan 0.000 0.443 159 T N 0.484 115.033 114.554 -0.010 0.000 2.746 159 T HA -0.156 4.194 4.350 0.000 0.000 0.267 159 T C 1.715 176.388 174.700 -0.045 0.000 1.039 159 T CA 1.770 63.844 62.100 -0.042 0.000 1.142 159 T CB -0.534 68.264 68.868 -0.116 0.000 0.866 159 T HN 0.687 nan 8.240 nan 0.000 0.444 160 N N 0.302 118.984 118.700 -0.029 0.000 2.289 160 N HA -0.044 4.696 4.740 0.000 0.000 0.184 160 N C 1.985 177.532 175.510 0.062 0.000 1.016 160 N CA 0.610 53.699 53.050 0.064 0.000 0.872 160 N CB 0.009 38.544 38.487 0.080 0.000 0.973 160 N HN 0.311 nan 8.380 nan 0.000 0.433 161 R N 0.069 120.585 120.500 0.028 0.000 2.240 161 R HA 0.110 4.450 4.340 0.000 0.000 0.203 161 R C 1.532 177.843 176.300 0.017 0.000 1.011 161 R CA 0.440 56.554 56.100 0.023 0.000 1.007 161 R CB 0.159 30.467 30.300 0.013 0.000 0.911 161 R HN 0.272 nan 8.270 nan 0.000 0.468 162 L N 0.598 121.827 121.223 0.011 0.000 2.286 162 L HA 0.226 4.566 4.340 0.000 0.000 0.203 162 L C 1.257 178.130 176.870 0.005 0.000 1.068 162 L CA 0.102 54.943 54.840 0.002 0.000 0.811 162 L CB 0.059 42.113 42.059 -0.008 0.000 0.989 162 L HN 0.107 nan 8.230 nan 0.000 0.467 163 I N -1.509 119.065 120.570 0.006 0.000 2.677 163 I HA 0.433 4.603 4.170 0.000 0.000 0.305 163 I C -0.485 175.692 176.117 0.100 0.000 0.988 163 I CA -0.575 60.733 61.300 0.014 0.000 1.260 163 I CB 1.329 39.279 38.000 -0.084 0.000 1.410 163 I HN 0.037 nan 8.210 nan 0.000 0.523 164 R N 2.907 123.482 120.500 0.124 0.000 2.725 164 R HA 0.758 5.098 4.340 0.000 0.000 0.277 164 R C -0.313 176.128 176.300 0.234 0.000 0.987 164 R CA -0.409 55.790 56.100 0.165 0.000 0.901 164 R CB 2.116 32.463 30.300 0.078 0.000 1.207 164 R HN 1.135 nan 8.270 nan 0.000 0.463 165 G N 0.545 109.496 108.800 0.251 0.000 2.233 165 G HA2 0.309 4.269 3.960 0.000 0.000 0.162 165 G HA3 0.309 4.269 3.960 0.000 0.000 0.162 165 G C -1.827 173.134 174.900 0.101 0.000 1.327 165 G CA -0.225 45.063 45.100 0.313 0.000 1.187 165 G HN 0.771 nan 8.290 nan 0.000 0.479 166 A N -0.678 122.264 122.820 0.202 0.000 2.435 166 A HA 1.037 5.357 4.320 0.000 0.000 0.304 166 A C -1.063 176.648 177.584 0.211 0.000 1.064 166 A CA -0.000 51.996 52.037 -0.068 0.000 0.727 166 A CB 1.415 20.358 19.000 -0.095 0.000 1.284 166 A HN 2.282 nan 8.150 nan 0.000 0.415 167 Y N -1.702 118.660 120.300 0.103 0.000 2.393 167 Y HA 0.659 5.209 4.550 0.000 0.000 0.320 167 Y C -0.589 175.335 175.900 0.039 0.000 1.241 167 Y CA -0.810 57.398 58.100 0.181 0.000 1.122 167 Y CB 0.593 39.183 38.460 0.216 0.000 1.322 167 Y HN 1.170 nan 8.280 nan 0.000 0.441 168 A N 2.412 125.323 122.820 0.152 0.000 2.287 168 A HA 0.845 5.165 4.320 0.000 0.000 0.317 168 A C -0.959 176.632 177.584 0.011 0.000 1.220 168 A CA -0.556 51.494 52.037 0.022 0.000 0.835 168 A CB 0.558 19.564 19.000 0.009 0.000 1.180 168 A HN 0.934 nan 8.150 nan 0.000 0.500 169 C N 1.007 120.168 119.300 -0.232 0.000 2.802 169 C HA 0.839 5.300 4.460 0.000 0.000 0.307 169 C C -0.266 174.567 174.990 -0.263 0.000 1.222 169 C CA -0.575 58.239 59.018 -0.340 0.000 1.580 169 C CB 1.583 28.727 27.740 -0.994 0.000 2.119 169 C HN 0.820 nan 8.230 nan 0.000 0.479 170 V N 2.001 121.867 119.914 -0.080 0.000 2.760 170 V HA 0.934 5.054 4.120 0.000 0.000 0.309 170 V C -0.489 175.667 176.094 0.103 0.000 1.077 170 V CA 0.202 62.522 62.300 0.033 0.000 0.910 170 V CB 1.767 33.628 31.823 0.062 0.000 1.008 170 V HN 1.318 nan 8.190 nan 0.000 0.424 171 A N 6.721 129.653 122.820 0.186 0.000 2.593 171 A HA 0.992 5.312 4.320 0.000 0.000 0.290 171 A C -1.277 176.477 177.584 0.283 0.000 1.126 171 A CA -0.798 51.390 52.037 0.251 0.000 0.695 171 A CB 2.256 21.484 19.000 0.380 0.000 1.290 171 A HN 0.818 nan 8.150 nan 0.000 0.414 172 M N 0.658 120.439 119.600 0.303 0.000 2.457 172 M HA 0.545 5.025 4.480 0.000 0.000 0.300 172 M C -1.486 175.050 176.300 0.392 0.000 1.141 172 M CA -0.097 55.408 55.300 0.341 0.000 0.901 172 M CB 2.249 35.068 32.600 0.365 0.000 1.687 172 M HN 0.538 nan 8.290 nan 0.000 0.449 173 I N 3.280 124.044 120.570 0.322 0.000 2.418 173 I HA 0.356 4.526 4.170 0.000 0.000 0.287 173 I C -0.239 176.030 176.117 0.254 0.000 1.008 173 I CA -0.960 60.492 61.300 0.253 0.000 1.104 173 I CB 1.636 39.652 38.000 0.027 0.000 1.264 173 I HN 0.517 nan 8.210 nan 0.000 0.438 174 I N 5.508 126.190 120.570 0.186 0.000 2.826 174 I HA -0.014 4.156 4.170 0.000 0.000 0.295 174 I C 1.510 177.722 176.117 0.158 0.000 1.213 174 I CA 1.181 62.506 61.300 0.041 0.000 1.436 174 I CB -0.280 37.663 38.000 -0.095 0.000 1.348 174 I HN 1.022 nan 8.210 nan 0.000 0.570 175 G N 5.132 113.944 108.800 0.020 0.000 2.184 175 G HA2 -0.306 3.654 3.960 0.000 0.000 0.264 175 G HA3 -0.306 3.654 3.960 0.000 0.000 0.264 175 G C 0.573 175.211 174.900 -0.435 0.000 0.975 175 G CA 0.763 45.779 45.100 -0.139 0.000 0.642 175 G HN 0.750 nan 8.290 nan 0.000 0.536 176 H N -1.192 117.872 119.070 -0.009 0.000 2.027 176 H HA 0.541 5.097 4.556 0.000 0.000 0.209 176 H C 1.508 176.940 175.328 0.173 0.000 0.903 176 H CA 1.347 57.420 56.048 0.041 0.000 1.078 176 H CB 0.543 30.270 29.762 -0.058 0.000 1.248 176 H HN 1.204 nan 8.280 nan 0.000 0.432 177 G N -0.080 108.936 108.800 0.359 0.000 2.373 177 G HA2 0.151 4.111 3.960 0.000 0.000 0.250 177 G HA3 0.151 4.111 3.960 0.000 0.000 0.250 177 G C -1.512 173.594 174.900 0.343 0.000 1.304 177 G CA -0.384 44.889 45.100 0.288 0.000 0.948 177 G HN 0.239 nan 8.290 nan 0.000 0.474 178 M N 0.974 120.758 119.600 0.306 0.000 2.436 178 M HA 0.714 5.194 4.480 0.000 0.000 0.331 178 M C -0.411 176.117 176.300 0.380 0.000 1.135 178 M CA -0.968 54.511 55.300 0.298 0.000 0.987 178 M CB 1.884 34.610 32.600 0.209 0.000 1.687 178 M HN 1.246 nan 8.290 nan 0.000 0.445 179 V N 1.797 121.919 119.914 0.348 0.000 2.823 179 V HA 1.056 5.176 4.120 0.000 0.000 0.312 179 V C -1.111 175.169 176.094 0.310 0.000 1.072 179 V CA -0.562 61.953 62.300 0.360 0.000 0.937 179 V CB 1.310 33.335 31.823 0.337 0.000 1.013 179 V HN 1.030 nan 8.190 nan 0.000 0.430 180 A N 4.376 127.384 122.820 0.314 0.000 2.422 180 A HA 1.034 5.354 4.320 0.000 0.000 0.302 180 A C -1.037 176.740 177.584 0.322 0.000 1.041 180 A CA -0.552 51.611 52.037 0.211 0.000 0.708 180 A CB 1.557 20.641 19.000 0.139 0.000 1.257 180 A HN 2.059 nan 8.150 nan 0.000 0.414 181 F N -0.395 119.607 119.950 0.087 0.000 2.668 181 F HA 0.858 5.385 4.527 0.000 0.000 0.309 181 F C -0.774 175.101 175.800 0.125 0.000 1.117 181 F CA -0.935 57.121 58.000 0.092 0.000 0.951 181 F CB 1.489 40.528 39.000 0.064 0.000 1.323 181 F HN 0.667 nan 8.300 nan 0.000 0.451 182 R N 1.301 121.943 120.500 0.237 0.000 2.740 182 R HA 0.385 4.725 4.340 0.000 0.000 0.282 182 R C -1.191 175.099 176.300 -0.016 0.000 0.969 182 R CA -0.810 55.327 56.100 0.061 0.000 0.918 182 R CB 1.642 31.953 30.300 0.019 0.000 1.175 182 R HN 0.976 nan 8.270 nan 0.000 0.464 183 D N 3.740 123.865 120.400 -0.459 0.000 2.390 183 D HA -0.024 4.616 4.640 0.000 0.000 0.236 183 D C -1.622 174.503 176.300 -0.291 0.000 1.189 183 D CA -0.966 52.544 54.000 -0.817 0.000 0.887 183 D CB 0.527 40.628 40.800 -1.165 0.000 1.198 183 D HN 0.238 nan 8.370 nan 0.000 0.444 184 P HA -0.113 nan 4.420 nan 0.000 0.234 184 P C -0.021 177.216 177.300 -0.105 0.000 1.167 184 P CA 0.683 63.731 63.100 -0.088 0.000 0.763 184 P CB 0.155 31.837 31.700 -0.030 0.000 0.835 185 N N -0.634 117.969 118.700 -0.161 0.000 2.205 185 N HA 0.074 4.815 4.740 0.000 0.000 0.201 185 N C 1.065 176.495 175.510 -0.134 0.000 1.128 185 N CA 0.570 53.533 53.050 -0.144 0.000 0.867 185 N CB 0.223 38.602 38.487 -0.180 0.000 0.996 185 N HN 0.088 nan 8.380 nan 0.000 0.503 186 G N 1.985 110.704 108.800 -0.135 0.000 2.341 186 G HA2 -0.276 3.684 3.960 0.000 0.000 0.292 186 G HA3 -0.276 3.684 3.960 0.000 0.000 0.292 186 G C 0.955 175.807 174.900 -0.081 0.000 1.021 186 G CA 0.415 45.460 45.100 -0.091 0.000 0.905 186 G HN 0.365 nan 8.290 nan 0.000 0.508 187 I N -0.779 119.707 120.570 -0.140 0.000 2.193 187 I HA 0.051 4.221 4.170 0.000 0.000 0.240 187 I C 1.837 177.917 176.117 -0.061 0.000 1.084 187 I CA 0.819 62.050 61.300 -0.114 0.000 1.365 187 I CB -0.183 37.671 38.000 -0.243 0.000 1.064 187 I HN 0.121 nan 8.210 nan 0.000 0.410 188 R N 2.375 122.825 120.500 -0.083 0.000 2.410 188 R HA 0.283 4.623 4.340 0.000 0.000 0.288 188 R C -2.302 173.984 176.300 -0.024 0.000 1.051 188 R CA -1.854 54.217 56.100 -0.049 0.000 1.021 188 R CB 0.058 30.331 30.300 -0.044 0.000 1.032 188 R HN 0.032 nan 8.270 nan 0.000 0.481 189 P HA 0.187 nan 4.420 nan 0.000 0.275 189 P C -0.847 176.474 177.300 0.035 0.000 1.227 189 P CA -0.374 62.739 63.100 0.022 0.000 0.781 189 P CB 0.943 32.652 31.700 0.015 0.000 0.906 190 L N 3.930 125.187 121.223 0.057 0.000 2.795 190 L HA 0.292 4.632 4.340 0.000 0.000 0.260 190 L C -0.957 175.963 176.870 0.084 0.000 0.935 190 L CA -0.706 54.170 54.840 0.059 0.000 0.985 190 L CB 1.511 43.592 42.059 0.035 0.000 1.433 190 L HN 0.292 nan 8.230 nan 0.000 0.447 191 V N 2.026 122.001 119.914 0.102 0.000 2.994 191 V HA 0.827 4.947 4.120 0.000 0.000 0.318 191 V C -0.932 175.178 176.094 0.028 0.000 1.085 191 V CA -0.891 61.473 62.300 0.107 0.000 0.998 191 V CB 1.956 33.948 31.823 0.281 0.000 1.063 191 V HN 0.768 nan 8.190 nan 0.000 0.447 192 L N 2.115 123.295 121.223 -0.071 0.000 2.346 192 L HA 1.042 5.382 4.340 0.000 0.000 0.276 192 L C 0.116 176.933 176.870 -0.088 0.000 1.006 192 L CA 0.400 55.213 54.840 -0.046 0.000 0.817 192 L CB 1.419 43.453 42.059 -0.042 0.000 1.272 192 L HN 1.189 nan 8.230 nan 0.000 0.421 193 G N 2.820 111.661 108.800 0.069 0.000 2.733 193 G HA2 0.730 4.690 3.960 0.000 0.000 0.288 193 G HA3 0.730 4.690 3.960 0.000 0.000 0.288 193 G C -1.827 173.290 174.900 0.362 0.000 1.373 193 G CA -0.714 44.486 45.100 0.166 0.000 0.895 193 G HN 0.769 nan 8.290 nan 0.000 0.479 194 K N -1.000 119.602 120.400 0.336 0.000 2.512 194 K HA 0.808 5.128 4.320 0.000 0.000 0.263 194 K C -0.952 175.522 176.600 -0.209 0.000 0.966 194 K CA -1.042 55.313 56.287 0.113 0.000 0.851 194 K CB 2.339 34.778 32.500 -0.103 0.000 1.395 194 K HN 0.564 nan 8.250 nan 0.000 0.440 195 R N 1.238 121.382 120.500 -0.595 0.000 2.518 195 R HA 0.277 4.617 4.340 0.000 0.000 0.296 195 R C -1.349 174.668 176.300 -0.472 0.000 1.080 195 R CA -0.525 55.128 56.100 -0.744 0.000 0.922 195 R CB 1.116 30.536 30.300 -1.468 0.000 1.184 195 R HN 0.799 nan 8.270 nan 0.000 0.445 196 D N 5.962 126.174 120.400 -0.315 0.000 2.339 196 D HA 0.078 4.719 4.640 0.000 0.000 0.256 196 D C 1.162 177.346 176.300 -0.192 0.000 1.214 196 D CA -0.098 53.768 54.000 -0.223 0.000 0.877 196 D CB 1.198 41.905 40.800 -0.155 0.000 1.111 196 D HN 0.422 nan 8.370 nan 0.000 0.478 197 I N 1.586 122.055 120.570 -0.168 0.000 2.628 197 I HA -0.032 4.138 4.170 0.000 0.000 0.255 197 I C 0.875 176.937 176.117 -0.091 0.000 1.119 197 I CA 1.012 62.236 61.300 -0.127 0.000 1.448 197 I CB -0.571 37.362 38.000 -0.112 0.000 1.133 197 I HN 0.433 nan 8.210 nan 0.000 0.438 198 D N -1.650 118.700 120.400 -0.083 0.000 2.838 198 D HA 0.105 4.745 4.640 0.000 0.000 0.334 198 D C 0.451 176.715 176.300 -0.059 0.000 1.315 198 D CA -0.409 53.553 54.000 -0.062 0.000 0.917 198 D CB 0.626 41.397 40.800 -0.048 0.000 1.435 198 D HN -0.284 nan 8.370 nan 0.000 0.517 199 E N -0.486 119.686 120.200 -0.045 0.000 2.171 199 E HA -0.079 4.271 4.350 0.000 0.000 0.197 199 E C 0.879 177.456 176.600 -0.038 0.000 0.997 199 E CA 1.465 57.842 56.400 -0.039 0.000 0.810 199 E CB -0.244 29.438 29.700 -0.029 0.000 0.738 199 E HN 0.397 nan 8.360 nan 0.000 0.467 200 N N -0.188 118.489 118.700 -0.039 0.000 2.184 200 N HA 0.108 4.848 4.740 0.000 0.000 0.206 200 N C -0.338 175.147 175.510 -0.042 0.000 1.151 200 N CA 0.027 53.056 53.050 -0.035 0.000 0.878 200 N CB 0.875 39.346 38.487 -0.026 0.000 1.014 200 N HN -0.015 nan 8.380 nan 0.000 0.512 201 R N 0.614 121.079 120.500 -0.057 0.000 2.480 201 R HA 0.431 4.771 4.340 0.000 0.000 0.306 201 R C -0.917 175.313 176.300 -0.118 0.000 0.958 201 R CA -0.231 55.827 56.100 -0.070 0.000 0.861 201 R CB 1.970 32.234 30.300 -0.060 0.000 1.171 201 R HN -0.194 nan 8.270 nan 0.000 0.445 202 T N 2.442 116.906 114.554 -0.150 0.000 2.879 202 T HA 0.225 4.575 4.350 0.000 0.000 0.290 202 T C -0.655 173.815 174.700 -0.384 0.000 0.993 202 T CA -0.767 61.155 62.100 -0.296 0.000 0.975 202 T CB 1.781 70.439 68.868 -0.350 0.000 0.981 202 T HN 0.431 nan 8.240 nan 0.000 0.439 203 E N 1.885 121.857 120.200 -0.380 0.000 2.283 203 E HA 0.488 4.838 4.350 0.000 0.000 0.271 203 E C -1.137 175.299 176.600 -0.274 0.000 1.031 203 E CA -0.696 55.585 56.400 -0.198 0.000 0.868 203 E CB 1.316 30.992 29.700 -0.039 0.000 1.094 203 E HN 0.506 nan 8.360 nan 0.000 0.401 204 Y N 0.860 121.324 120.300 0.274 0.000 2.536 204 Y HA 0.468 5.018 4.550 0.000 0.000 0.347 204 Y C 0.146 176.171 175.900 0.208 0.000 1.000 204 Y CA -0.976 57.286 58.100 0.269 0.000 1.051 204 Y CB 1.799 40.331 38.460 0.120 0.000 1.259 204 Y HN 0.457 nan 8.280 nan 0.000 0.468 205 M N 2.086 121.827 119.600 0.236 0.000 2.520 205 M HA 0.870 5.350 4.480 0.000 0.000 0.283 205 M C -2.088 174.203 176.300 -0.015 0.000 1.237 205 M CA -1.038 54.223 55.300 -0.065 0.000 0.885 205 M CB 2.512 34.749 32.600 -0.605 0.000 1.727 205 M HN 0.391 nan 8.290 nan 0.000 0.468 206 V N -0.215 119.687 119.914 -0.019 0.000 2.735 206 V HA 1.092 5.212 4.120 0.000 0.000 0.310 206 V C -0.811 175.277 176.094 -0.010 0.000 1.061 206 V CA -0.084 62.222 62.300 0.010 0.000 0.913 206 V CB 1.000 32.849 31.823 0.044 0.000 1.005 206 V HN 1.398 nan 8.190 nan 0.000 0.428 207 A N 2.336 125.163 122.820 0.012 0.000 2.606 207 A HA 0.756 5.077 4.320 0.000 0.000 0.293 207 A C 0.607 178.214 177.584 0.039 0.000 1.082 207 A CA 0.095 52.139 52.037 0.012 0.000 0.685 207 A CB 1.420 20.419 19.000 -0.002 0.000 1.284 207 A HN 0.997 nan 8.150 nan 0.000 0.408 208 S N -0.048 115.668 115.700 0.028 0.000 2.382 208 S HA -0.044 4.426 4.470 0.000 0.000 0.228 208 S C 0.531 175.171 174.600 0.066 0.000 1.027 208 S CA 1.675 59.898 58.200 0.038 0.000 0.991 208 S CB -0.148 63.063 63.200 0.018 0.000 0.823 208 S HN 0.676 nan 8.310 nan 0.000 0.469 209 E N -0.289 119.957 120.200 0.076 0.000 2.317 209 E HA 0.288 4.638 4.350 0.000 0.000 0.270 209 E C 0.402 177.081 176.600 0.132 0.000 0.885 209 E CA -0.143 56.322 56.400 0.109 0.000 0.760 209 E CB 1.741 31.509 29.700 0.113 0.000 1.227 209 E HN 0.196 nan 8.360 nan 0.000 0.434 210 S N 0.362 116.170 115.700 0.180 0.000 2.440 210 S HA -0.171 4.299 4.470 0.000 0.000 0.238 210 S C 1.958 176.655 174.600 0.162 0.000 1.010 210 S CA 1.296 59.629 58.200 0.222 0.000 0.972 210 S CB -0.706 62.638 63.200 0.239 0.000 0.774 210 S HN 0.453 nan 8.310 nan 0.000 0.501 211 V N -0.056 119.932 119.914 0.124 0.000 2.594 211 V HA 0.023 4.143 4.120 0.000 0.000 0.253 211 V C 2.678 178.821 176.094 0.081 0.000 1.069 211 V CA 1.317 63.673 62.300 0.094 0.000 1.082 211 V CB -1.806 30.055 31.823 0.064 0.000 0.680 211 V HN 0.543 nan 8.190 nan 0.000 0.469 212 A N 0.838 123.701 122.820 0.071 0.000 1.969 212 A HA 0.067 4.387 4.320 0.000 0.000 0.218 212 A C 2.219 179.815 177.584 0.021 0.000 1.169 212 A CA 1.866 53.922 52.037 0.031 0.000 0.635 212 A CB -0.512 18.488 19.000 0.001 0.000 0.810 212 A HN 0.591 nan 8.150 nan 0.000 0.445 213 L N -0.613 120.646 121.223 0.060 0.000 2.072 213 L HA -0.128 4.212 4.340 0.000 0.000 0.205 213 L C 1.971 178.946 176.870 0.175 0.000 1.079 213 L CA 1.246 56.146 54.840 0.100 0.000 0.752 213 L CB -0.914 41.260 42.059 0.190 0.000 0.906 213 L HN 0.254 nan 8.230 nan 0.000 0.436 214 D N -0.275 120.212 120.400 0.145 0.000 2.092 214 D HA -0.194 4.446 4.640 0.000 0.000 0.193 214 D C 2.142 178.510 176.300 0.112 0.000 0.994 214 D CA 1.779 55.855 54.000 0.126 0.000 0.828 214 D CB -0.384 40.475 40.800 0.099 0.000 0.963 214 D HN 0.113 nan 8.370 nan 0.000 0.450 215 T N -0.031 114.579 114.554 0.094 0.000 2.929 215 T HA -0.039 4.311 4.350 0.000 0.000 0.271 215 T C 1.703 176.467 174.700 0.107 0.000 1.085 215 T CA 0.536 62.686 62.100 0.083 0.000 1.125 215 T CB -0.071 68.835 68.868 0.063 0.000 0.874 215 T HN 0.071 nan 8.240 nan 0.000 0.494 216 L N -0.432 120.884 121.223 0.154 0.000 2.640 216 L HA 0.328 4.668 4.340 0.000 0.000 0.230 216 L C 1.686 178.721 176.870 0.276 0.000 1.123 216 L CA 0.354 55.332 54.840 0.229 0.000 0.900 216 L CB 0.087 42.317 42.059 0.285 0.000 1.146 216 L HN 0.420 nan 8.230 nan 0.000 0.484 217 G N 0.221 109.148 108.800 0.212 0.000 2.147 217 G HA2 -0.299 3.661 3.960 0.000 0.000 0.244 217 G HA3 -0.299 3.661 3.960 0.000 0.000 0.244 217 G C -0.043 174.931 174.900 0.123 0.000 1.005 217 G CA -0.320 44.857 45.100 0.128 0.000 0.713 217 G HN 0.133 nan 8.290 nan 0.000 0.515 218 F N 1.386 121.356 119.950 0.033 0.000 2.384 218 F HA 0.431 4.958 4.527 0.000 0.000 0.338 218 F C 0.745 176.576 175.800 0.052 0.000 1.103 218 F CA -0.827 57.190 58.000 0.029 0.000 1.157 218 F CB 0.912 39.935 39.000 0.040 0.000 1.167 218 F HN -0.005 nan 8.300 nan 0.000 0.529 219 D N 2.874 123.378 120.400 0.173 0.000 2.304 219 D HA 0.053 4.693 4.640 0.000 0.000 0.250 219 D C -0.421 176.005 176.300 0.211 0.000 1.107 219 D CA -0.159 53.931 54.000 0.150 0.000 0.885 219 D CB 0.926 41.765 40.800 0.064 0.000 1.192 219 D HN 0.257 nan 8.370 nan 0.000 0.436 220 F N 2.171 122.168 119.950 0.079 0.000 2.495 220 F HA 0.073 4.600 4.527 0.000 0.000 0.365 220 F C 0.498 176.337 175.800 0.065 0.000 1.090 220 F CA 0.030 58.074 58.000 0.073 0.000 1.235 220 F CB 0.489 39.504 39.000 0.024 0.000 1.119 220 F HN 0.288 nan 8.300 nan 0.000 0.562 221 L N 4.834 125.691 121.223 -0.610 0.000 2.453 221 L HA 0.336 4.676 4.340 0.000 0.000 0.190 221 L C 0.180 176.645 176.870 -0.676 0.000 1.093 221 L CA 0.023 54.621 54.840 -0.404 0.000 0.834 221 L CB 0.004 41.958 42.059 -0.175 0.000 1.090 221 L HN 0.716 nan 8.230 nan 0.000 0.489 222 R N -1.201 118.715 120.500 -0.973 0.000 2.829 222 R HA 0.235 4.575 4.340 0.000 0.000 0.283 222 R C -1.911 174.200 176.300 -0.316 0.000 1.013 222 R CA -0.884 54.874 56.100 -0.570 0.000 0.848 222 R CB 0.490 30.693 30.300 -0.162 0.000 1.291 222 R HN -0.214 nan 8.270 nan 0.000 0.496 223 D N 0.414 120.839 120.400 0.042 0.000 2.362 223 D HA 0.281 4.921 4.640 0.000 0.000 0.242 223 D C -0.305 176.014 176.300 0.032 0.000 1.132 223 D CA -0.117 53.946 54.000 0.104 0.000 0.907 223 D CB 1.163 42.062 40.800 0.164 0.000 1.195 223 D HN 0.271 nan 8.370 nan 0.000 0.429 224 V N 1.800 121.737 119.914 0.039 0.000 2.555 224 V HA 0.364 4.484 4.120 0.000 0.000 0.286 224 V C 0.610 176.725 176.094 0.036 0.000 1.044 224 V CA -0.559 61.761 62.300 0.034 0.000 1.026 224 V CB 0.849 32.702 31.823 0.051 0.000 0.981 224 V HN 0.697 nan 8.190 nan 0.000 0.480 225 A N 8.012 130.847 122.820 0.025 0.000 2.406 225 A HA 0.516 4.836 4.320 0.000 0.000 0.243 225 A C -2.323 175.267 177.584 0.011 0.000 1.082 225 A CA -1.235 50.811 52.037 0.016 0.000 0.786 225 A CB -0.259 18.744 19.000 0.003 0.000 1.029 225 A HN 0.697 nan 8.150 nan 0.000 0.495 226 P HA 0.223 nan 4.420 nan 0.000 0.264 226 P C 1.041 178.335 177.300 -0.011 0.000 1.193 226 P CA 1.963 65.048 63.100 -0.025 0.000 0.763 226 P CB 0.596 32.271 31.700 -0.042 0.000 0.810 227 G N 1.725 110.528 108.800 0.005 0.000 2.245 227 G HA2 -0.303 3.657 3.960 0.000 0.000 0.264 227 G HA3 -0.303 3.657 3.960 0.000 0.000 0.264 227 G C 0.292 175.224 174.900 0.053 0.000 0.985 227 G CA 0.166 45.287 45.100 0.035 0.000 0.625 227 G HN 0.623 nan 8.290 nan 0.000 0.536 228 E N 0.708 120.937 120.200 0.049 0.000 2.373 228 E HA 0.623 4.973 4.350 0.000 0.000 0.263 228 E C 0.309 176.982 176.600 0.121 0.000 1.073 228 E CA 0.028 56.452 56.400 0.038 0.000 0.894 228 E CB 0.800 30.511 29.700 0.018 0.000 1.008 228 E HN 0.838 nan 8.360 nan 0.000 0.420 229 A N 4.329 127.206 122.820 0.095 0.000 2.401 229 A HA 0.603 4.923 4.320 0.000 0.000 0.310 229 A C -1.131 176.638 177.584 0.308 0.000 1.075 229 A CA -0.772 51.427 52.037 0.269 0.000 0.746 229 A CB 1.036 20.245 19.000 0.350 0.000 1.277 229 A HN 0.515 nan 8.150 nan 0.000 0.425 230 I N 1.379 122.184 120.570 0.391 0.000 2.509 230 I HA 0.377 4.548 4.170 0.000 0.000 0.293 230 I C -1.334 175.070 176.117 0.478 0.000 1.020 230 I CA -0.408 61.110 61.300 0.364 0.000 1.088 230 I CB 1.507 39.619 38.000 0.188 0.000 1.267 230 I HN 0.736 nan 8.210 nan 0.000 0.430 231 Y N 6.915 127.416 120.300 0.335 0.000 2.346 231 Y HA 0.655 5.205 4.550 0.000 0.000 0.332 231 Y C -1.397 174.618 175.900 0.191 0.000 0.985 231 Y CA -1.389 56.826 58.100 0.192 0.000 1.112 231 Y CB 1.487 39.921 38.460 -0.044 0.000 1.170 231 Y HN 0.436 nan 8.280 nan 0.000 0.447 232 I N 6.117 126.608 120.570 -0.132 0.000 2.389 232 I HA 0.351 4.521 4.170 0.000 0.000 0.288 232 I C 0.272 176.150 176.117 -0.399 0.000 0.999 232 I CA -0.679 60.468 61.300 -0.256 0.000 1.129 232 I CB 2.066 40.030 38.000 -0.060 0.000 1.288 232 I HN 0.733 nan 8.210 nan 0.000 0.444 233 T N 0.632 114.914 114.554 -0.453 0.000 2.788 233 T HA 0.202 4.552 4.350 0.000 0.000 0.287 233 T C 0.989 175.638 174.700 -0.084 0.000 1.007 233 T CA -0.515 61.399 62.100 -0.309 0.000 1.005 233 T CB 0.890 69.644 68.868 -0.190 0.000 1.012 233 T HN 0.632 nan 8.240 nan 0.000 0.530 234 E N 0.410 120.591 120.200 -0.032 0.000 2.219 234 E HA -0.168 4.182 4.350 0.000 0.000 0.198 234 E C 1.668 178.271 176.600 0.005 0.000 0.998 234 E CA 1.137 57.540 56.400 0.004 0.000 0.818 234 E CB 0.020 29.720 29.700 0.000 0.000 0.741 234 E HN 0.617 nan 8.360 nan 0.000 0.477 235 E N -0.660 119.531 120.200 -0.014 0.000 2.489 235 E HA 0.036 4.386 4.350 0.000 0.000 0.193 235 E C 1.204 177.805 176.600 0.001 0.000 1.057 235 E CA 0.617 57.012 56.400 -0.008 0.000 0.866 235 E CB 0.683 30.375 29.700 -0.014 0.000 0.916 235 E HN 0.373 nan 8.360 nan 0.000 0.500 236 G N 2.052 110.857 108.800 0.009 0.000 2.132 236 G HA2 -0.308 3.652 3.960 0.000 0.000 0.228 236 G HA3 -0.308 3.652 3.960 0.000 0.000 0.228 236 G C 0.109 175.034 174.900 0.042 0.000 1.000 236 G CA 0.320 45.459 45.100 0.065 0.000 0.693 236 G HN 0.331 nan 8.290 nan 0.000 0.515 237 Q N -0.173 119.579 119.800 -0.080 0.000 2.274 237 Q HA 0.657 4.997 4.340 0.000 0.000 0.256 237 Q C -0.109 175.661 176.000 -0.383 0.000 0.927 237 Q CA -0.944 54.727 55.803 -0.219 0.000 0.939 237 Q CB 0.952 29.542 28.738 -0.246 0.000 1.201 237 Q HN 0.489 nan 8.270 nan 0.000 0.426 238 L N 4.735 125.678 121.223 -0.466 0.000 2.276 238 L HA 0.538 4.878 4.340 0.000 0.000 0.286 238 L C -1.739 174.825 176.870 -0.509 0.000 1.061 238 L CA 0.190 54.725 54.840 -0.508 0.000 0.807 238 L CB 0.486 42.146 42.059 -0.664 0.000 1.177 238 L HN 0.587 nan 8.230 nan 0.000 0.429 239 F N 2.052 122.009 119.950 0.012 0.000 2.577 239 F HA 0.766 5.293 4.527 0.000 0.000 0.318 239 F C 0.226 176.194 175.800 0.281 0.000 1.065 239 F CA -0.406 57.718 58.000 0.208 0.000 0.929 239 F CB 2.463 41.744 39.000 0.468 0.000 1.237 239 F HN 0.555 nan 8.300 nan 0.000 0.468 240 T N -0.078 114.665 114.554 0.315 0.000 2.903 240 T HA 0.868 5.218 4.350 0.000 0.000 0.299 240 T C -1.217 173.281 174.700 -0.337 0.000 1.093 240 T CA -0.904 61.222 62.100 0.044 0.000 1.002 240 T CB 2.452 71.323 68.868 0.005 0.000 1.127 240 T HN 0.702 nan 8.240 nan 0.000 0.488 241 R N 0.834 120.973 120.500 -0.601 0.000 2.604 241 R HA 0.491 4.831 4.340 0.000 0.000 0.261 241 R C -1.708 174.363 176.300 -0.382 0.000 1.080 241 R CA -0.477 55.213 56.100 -0.683 0.000 0.917 241 R CB 1.847 31.253 30.300 -1.489 0.000 1.252 241 R HN 0.748 nan 8.270 nan 0.000 0.456 242 Q N 2.650 122.318 119.800 -0.220 0.000 2.293 242 Q HA 0.231 4.571 4.340 0.000 0.000 0.263 242 Q C -0.770 175.166 176.000 -0.106 0.000 1.002 242 Q CA 0.274 56.008 55.803 -0.116 0.000 0.910 242 Q CB 0.742 29.434 28.738 -0.075 0.000 1.185 242 Q HN 0.708 nan 8.270 nan 0.000 0.401 243 C N 3.767 123.030 119.300 -0.061 0.000 2.863 243 C HA 0.850 5.310 4.460 0.000 0.000 0.284 243 C C 0.096 175.085 174.990 -0.002 0.000 1.426 243 C CA 0.065 59.064 59.018 -0.032 0.000 1.782 243 C CB -1.162 26.566 27.740 -0.021 0.000 2.554 243 C HN 0.787 nan 8.230 nan 0.000 0.566 244 A N 0.055 122.874 122.820 -0.001 0.000 2.556 244 A HA 0.691 5.011 4.320 0.000 0.000 0.294 244 A C -1.521 176.062 177.584 -0.001 0.000 1.091 244 A CA -0.323 51.721 52.037 0.011 0.000 0.704 244 A CB 1.010 20.023 19.000 0.023 0.000 1.300 244 A HN 0.273 nan 8.150 nan 0.000 0.406 245 D N 0.712 121.113 120.400 0.002 0.000 2.210 245 D HA 0.288 4.928 4.640 0.000 0.000 0.249 245 D C -0.368 175.928 176.300 -0.007 0.000 1.062 245 D CA 0.181 54.179 54.000 -0.003 0.000 0.891 245 D CB 0.668 41.468 40.800 -0.000 0.000 1.186 245 D HN 0.641 nan 8.370 nan 0.000 0.432 246 N N 0.523 119.216 118.700 -0.011 0.000 2.705 246 N HA -0.129 4.611 4.740 0.000 0.000 0.255 246 N C -2.386 173.112 175.510 -0.020 0.000 1.008 246 N CA -0.156 52.885 53.050 -0.015 0.000 0.742 246 N CB -0.789 37.690 38.487 -0.012 0.000 0.906 246 N HN 0.336 nan 8.380 nan 0.000 0.541 247 P HA 0.260 nan 4.420 nan 0.000 0.272 247 P C -0.338 176.941 177.300 -0.036 0.000 1.223 247 P CA 0.014 63.097 63.100 -0.029 0.000 0.784 247 P CB 1.782 33.467 31.700 -0.024 0.000 0.923 248 V N 1.065 120.951 119.914 -0.047 0.000 3.120 248 V HA 0.299 4.419 4.120 0.000 0.000 0.303 248 V C -0.811 175.242 176.094 -0.067 0.000 1.238 248 V CA -0.614 61.654 62.300 -0.054 0.000 1.008 248 V CB 2.530 34.321 31.823 -0.054 0.000 1.064 248 V HN 0.547 nan 8.190 nan 0.000 0.434 249 S N 4.457 120.110 115.700 -0.077 0.000 2.416 249 S HA 0.456 4.926 4.470 0.000 0.000 0.287 249 S C -0.070 174.450 174.600 -0.134 0.000 1.139 249 S CA -0.249 57.896 58.200 -0.091 0.000 1.058 249 S CB -0.194 62.950 63.200 -0.092 0.000 0.967 249 S HN 0.738 nan 8.310 nan 0.000 0.495 250 N N 3.594 122.232 118.700 -0.104 0.000 2.723 250 N HA 0.198 4.938 4.740 0.000 0.000 0.290 250 N C -2.891 172.621 175.510 0.004 0.000 1.882 250 N CA -1.345 51.652 53.050 -0.089 0.000 0.851 250 N CB 1.240 39.688 38.487 -0.065 0.000 1.234 250 N HN 0.370 nan 8.380 nan 0.000 0.491 251 P HA -0.086 nan 4.420 nan 0.000 0.266 251 P C 0.357 177.872 177.300 0.360 0.000 1.195 251 P CA -0.119 63.118 63.100 0.228 0.000 0.768 251 P CB 0.801 32.731 31.700 0.383 0.000 0.838 252 C N 4.991 124.428 119.300 0.229 0.000 2.648 252 C HA 0.007 4.467 4.460 0.000 0.000 0.406 252 C C 2.068 177.260 174.990 0.337 0.000 1.406 252 C CA -0.238 58.911 59.018 0.218 0.000 1.610 252 C CB -2.124 25.672 27.740 0.093 0.000 2.451 252 C HN 0.581 nan 8.230 nan 0.000 0.608 253 L N 5.896 127.353 121.223 0.389 0.000 2.217 253 L HA 0.107 4.447 4.340 0.000 0.000 0.211 253 L C 1.726 178.826 176.870 0.383 0.000 1.107 253 L CA 1.639 56.702 54.840 0.372 0.000 0.783 253 L CB -0.992 41.216 42.059 0.248 0.000 0.919 253 L HN 0.827 nan 8.230 nan 0.000 0.442 254 F N 0.209 120.258 119.950 0.165 0.000 2.269 254 F HA -0.163 4.364 4.527 0.000 0.000 0.301 254 F C 2.355 178.116 175.800 -0.065 0.000 1.082 254 F CA 1.266 59.293 58.000 0.044 0.000 1.360 254 F CB -0.047 38.881 39.000 -0.119 0.000 1.041 254 F HN 0.174 nan 8.300 nan 0.000 0.512 255 E N -0.540 119.607 120.200 -0.088 0.000 2.085 255 E HA -0.256 4.094 4.350 0.000 0.000 0.194 255 E C 2.174 178.616 176.600 -0.264 0.000 0.994 255 E CA 1.686 57.964 56.400 -0.203 0.000 0.801 255 E CB -0.768 28.736 29.700 -0.326 0.000 0.743 255 E HN 0.507 nan 8.360 nan 0.000 0.453 256 Y N 0.476 120.738 120.300 -0.063 0.000 2.242 256 Y HA -0.160 4.390 4.550 0.000 0.000 0.291 256 Y C 2.515 178.347 175.900 -0.113 0.000 1.137 256 Y CA 0.586 58.639 58.100 -0.078 0.000 1.181 256 Y CB -0.709 37.700 38.460 -0.085 0.000 0.989 256 Y HN -0.150 nan 8.280 nan 0.000 0.527 257 V N -0.700 119.189 119.914 -0.042 0.000 2.237 257 V HA -0.275 3.845 4.120 0.000 0.000 0.245 257 V C 1.475 177.560 176.094 -0.016 0.000 1.046 257 V CA 2.673 64.936 62.300 -0.062 0.000 1.007 257 V CB -0.661 31.101 31.823 -0.102 0.000 0.638 257 V HN 0.704 nan 8.190 nan 0.000 0.445 258 Y N -5.075 115.082 120.300 -0.237 0.000 2.673 258 Y HA 0.334 4.884 4.550 0.000 0.000 0.289 258 Y C 1.325 177.189 175.900 -0.060 0.000 0.975 258 Y CA -0.690 57.334 58.100 -0.128 0.000 1.163 258 Y CB -0.491 37.911 38.460 -0.097 0.000 1.425 258 Y HN 0.045 nan 8.280 nan 0.000 0.588 259 F N 2.801 122.386 119.950 -0.608 0.000 2.113 259 F HA 0.383 4.910 4.527 0.000 0.000 0.297 259 F C 1.668 177.455 175.800 -0.023 0.000 1.103 259 F CA 0.894 58.705 58.000 -0.316 0.000 1.248 259 F CB -0.466 38.302 39.000 -0.387 0.000 0.999 259 F HN 0.149 nan 8.300 nan 0.000 0.475 260 A N 0.490 123.319 122.820 0.015 0.000 2.287 260 A HA 0.418 4.738 4.320 0.000 0.000 0.273 260 A C 0.262 177.781 177.584 -0.107 0.000 1.091 260 A CA -0.560 51.485 52.037 0.012 0.000 0.817 260 A CB 0.215 19.191 19.000 -0.039 0.000 1.069 260 A HN 0.312 nan 8.150 nan 0.000 0.492 261 R N 0.746 121.135 120.500 -0.185 0.000 2.539 261 R HA 0.215 4.555 4.340 0.000 0.000 0.275 261 R C -1.531 174.680 176.300 -0.149 0.000 1.077 261 R CA -1.388 54.532 56.100 -0.300 0.000 1.097 261 R CB 0.607 30.673 30.300 -0.391 0.000 1.018 261 R HN 0.553 nan 8.270 nan 0.000 0.483 262 P HA -0.140 nan 4.420 nan 0.000 0.223 262 P C -0.056 177.180 177.300 -0.106 0.000 1.151 262 P CA 1.196 64.262 63.100 -0.058 0.000 0.787 262 P CB 0.196 31.886 31.700 -0.016 0.000 0.788 263 D N -1.234 119.090 120.400 -0.127 0.000 2.340 263 D HA 0.032 4.672 4.640 0.000 0.000 0.220 263 D C 0.345 176.598 176.300 -0.077 0.000 1.039 263 D CA 0.067 54.003 54.000 -0.107 0.000 0.866 263 D CB -0.440 40.324 40.800 -0.059 0.000 0.913 263 D HN 0.005 nan 8.370 nan 0.000 0.523 264 S N -0.235 115.400 115.700 -0.108 0.000 2.632 264 S HA 0.469 4.939 4.470 0.000 0.000 0.271 264 S C -0.473 174.003 174.600 -0.208 0.000 1.260 264 S CA -0.510 57.675 58.200 -0.024 0.000 1.010 264 S CB 0.592 63.798 63.200 0.009 0.000 0.965 264 S HN 0.072 nan 8.310 nan 0.000 0.534 265 F N 1.572 121.504 119.950 -0.030 0.000 2.434 265 F HA 0.503 5.030 4.527 0.000 0.000 0.355 265 F C -0.198 175.622 175.800 0.033 0.000 1.115 265 F CA -0.514 57.466 58.000 -0.034 0.000 1.010 265 F CB 0.645 39.519 39.000 -0.211 0.000 1.234 265 F HN 0.284 nan 8.300 nan 0.000 0.439 266 I N 3.725 124.425 120.570 0.216 0.000 2.362 266 I HA 0.237 4.407 4.170 0.000 0.000 0.289 266 I C -0.350 175.957 176.117 0.317 0.000 0.994 266 I CA -0.673 60.757 61.300 0.218 0.000 1.158 266 I CB 1.285 39.310 38.000 0.041 0.000 1.315 266 I HN 0.510 nan 8.210 nan 0.000 0.451 267 D N 6.375 126.940 120.400 0.274 0.000 2.697 267 D HA -0.200 4.440 4.640 0.000 0.000 0.235 267 D C 0.475 176.914 176.300 0.232 0.000 1.167 267 D CA 0.882 55.027 54.000 0.243 0.000 0.656 267 D CB -0.485 40.445 40.800 0.217 0.000 1.025 267 D HN 0.792 nan 8.370 nan 0.000 0.419 268 K N -2.087 118.460 120.400 0.246 0.000 3.349 268 K HA -0.230 4.090 4.320 0.000 0.000 0.310 268 K C 0.340 177.080 176.600 0.234 0.000 1.267 268 K CA 0.991 57.410 56.287 0.220 0.000 0.920 268 K CB -1.122 31.474 32.500 0.160 0.000 1.240 268 K HN 0.473 nan 8.250 nan 0.000 0.453 269 I N 1.029 121.748 120.570 0.248 0.000 2.378 269 I HA 0.082 4.252 4.170 0.000 0.000 0.291 269 I C 0.498 176.663 176.117 0.080 0.000 0.992 269 I CA -0.643 60.756 61.300 0.164 0.000 1.154 269 I CB 1.858 39.919 38.000 0.101 0.000 1.315 269 I HN 0.023 nan 8.210 nan 0.000 0.448 270 S N 4.827 120.470 115.700 -0.095 0.000 2.488 270 S HA 0.128 4.598 4.470 0.000 0.000 0.278 270 S C 1.197 175.678 174.600 -0.198 0.000 1.259 270 S CA -0.573 57.325 58.200 -0.505 0.000 1.061 270 S CB 0.846 63.788 63.200 -0.431 0.000 0.910 270 S HN 0.447 nan 8.310 nan 0.000 0.491 271 V N 6.224 126.043 119.914 -0.159 0.000 2.343 271 V HA -0.143 3.977 4.120 0.000 0.000 0.247 271 V C 1.842 177.944 176.094 0.012 0.000 1.051 271 V CA 2.169 64.485 62.300 0.028 0.000 1.036 271 V CB -1.231 30.586 31.823 -0.010 0.000 0.654 271 V HN 1.006 nan 8.190 nan 0.000 0.451 272 Y N 1.529 121.729 120.300 -0.166 0.000 2.145 272 Y HA -0.248 4.302 4.550 0.000 0.000 0.286 272 Y C 2.727 178.568 175.900 -0.097 0.000 1.145 272 Y CA 1.877 59.904 58.100 -0.123 0.000 1.148 272 Y CB -0.571 37.808 38.460 -0.135 0.000 0.981 272 Y HN 0.223 nan 8.280 nan 0.000 0.507 273 S N 0.370 115.917 115.700 -0.255 0.000 2.399 273 S HA -0.143 4.327 4.470 0.000 0.000 0.231 273 S C 2.251 176.704 174.600 -0.246 0.000 1.022 273 S CA 0.924 58.930 58.200 -0.323 0.000 0.983 273 S CB -0.745 62.363 63.200 -0.155 0.000 0.803 273 S HN 0.637 nan 8.310 nan 0.000 0.480 274 A N 1.948 124.668 122.820 -0.166 0.000 1.930 274 A HA -0.066 4.254 4.320 0.000 0.000 0.217 274 A C 2.146 179.643 177.584 -0.145 0.000 1.175 274 A CA 1.061 53.007 52.037 -0.152 0.000 0.627 274 A CB -0.381 18.536 19.000 -0.137 0.000 0.815 274 A HN 0.398 nan 8.150 nan 0.000 0.443 275 R N -0.693 119.729 120.500 -0.129 0.000 2.092 275 R HA -0.056 4.284 4.340 0.000 0.000 0.231 275 R C 1.985 178.190 176.300 -0.158 0.000 1.119 275 R CA 1.328 57.366 56.100 -0.104 0.000 0.970 275 R CB -0.491 29.786 30.300 -0.038 0.000 0.864 275 R HN 0.390 nan 8.270 nan 0.000 0.440 276 V N 1.941 121.686 119.914 -0.281 0.000 2.343 276 V HA -0.245 3.875 4.120 0.000 0.000 0.247 276 V C 1.621 177.608 176.094 -0.179 0.000 1.051 276 V CA 1.742 63.880 62.300 -0.271 0.000 1.036 276 V CB -0.526 31.046 31.823 -0.419 0.000 0.654 276 V HN 0.332 nan 8.190 nan 0.000 0.451 277 N N -0.009 118.586 118.700 -0.175 0.000 2.149 277 N HA -0.148 4.592 4.740 0.000 0.000 0.188 277 N C 1.754 177.194 175.510 -0.117 0.000 1.019 277 N CA 1.560 54.529 53.050 -0.135 0.000 0.857 277 N CB -0.395 38.010 38.487 -0.135 0.000 0.997 277 N HN 0.452 nan 8.380 nan 0.000 0.426 278 M N -0.187 119.344 119.600 -0.116 0.000 2.117 278 M HA -0.032 4.448 4.480 0.000 0.000 0.262 278 M C 2.242 178.495 176.300 -0.079 0.000 1.065 278 M CA 1.625 56.867 55.300 -0.096 0.000 1.114 278 M CB -0.551 32.002 32.600 -0.079 0.000 1.361 278 M HN 0.178 nan 8.290 nan 0.000 0.408 279 G N -0.300 108.455 108.800 -0.075 0.000 2.422 279 G HA2 -0.180 3.780 3.960 0.000 0.000 0.218 279 G HA3 -0.180 3.780 3.960 0.000 0.000 0.218 279 G C 1.453 176.315 174.900 -0.064 0.000 1.146 279 G CA 1.462 46.528 45.100 -0.058 0.000 0.769 279 G HN 0.385 nan 8.290 nan 0.000 0.547 280 T N 1.188 115.697 114.554 -0.076 0.000 2.674 280 T HA -0.074 4.276 4.350 0.000 0.000 0.265 280 T C 2.405 177.064 174.700 -0.068 0.000 1.039 280 T CA 1.292 63.350 62.100 -0.070 0.000 1.150 280 T CB -0.100 68.722 68.868 -0.076 0.000 0.864 280 T HN 0.112 nan 8.240 nan 0.000 0.427 281 K N 0.867 121.221 120.400 -0.076 0.000 2.026 281 K HA 0.041 4.361 4.320 0.000 0.000 0.208 281 K C 2.249 178.800 176.600 -0.083 0.000 1.048 281 K CA 0.788 57.028 56.287 -0.078 0.000 0.929 281 K CB -0.902 31.546 32.500 -0.087 0.000 0.713 281 K HN 0.214 nan 8.250 nan 0.000 0.439 282 L N 0.883 122.056 121.223 -0.084 0.000 2.093 282 L HA -0.036 4.304 4.340 0.000 0.000 0.208 282 L C 2.141 178.949 176.870 -0.103 0.000 1.085 282 L CA 1.985 56.766 54.840 -0.098 0.000 0.755 282 L CB -1.076 40.933 42.059 -0.084 0.000 0.904 282 L HN 0.234 nan 8.230 nan 0.000 0.435 283 G N -1.205 107.551 108.800 -0.073 0.000 2.421 283 G HA2 -0.256 3.704 3.960 0.000 0.000 0.216 283 G HA3 -0.256 3.704 3.960 0.000 0.000 0.216 283 G C 1.448 176.310 174.900 -0.063 0.000 1.171 283 G CA 0.772 45.837 45.100 -0.058 0.000 0.775 283 G HN 0.502 nan 8.290 nan 0.000 0.543 284 E N 0.090 120.252 120.200 -0.063 0.000 2.085 284 E HA -0.139 4.211 4.350 0.000 0.000 0.194 284 E C 2.344 178.900 176.600 -0.074 0.000 0.994 284 E CA 1.196 57.562 56.400 -0.058 0.000 0.801 284 E CB -0.094 29.573 29.700 -0.054 0.000 0.743 284 E HN 0.491 nan 8.360 nan 0.000 0.453 285 K N 1.029 121.368 120.400 -0.101 0.000 2.057 285 K HA -0.150 4.170 4.320 0.000 0.000 0.207 285 K C 2.050 178.535 176.600 -0.191 0.000 1.049 285 K CA 1.170 57.377 56.287 -0.134 0.000 0.931 285 K CB -0.061 32.348 32.500 -0.152 0.000 0.714 285 K HN 0.053 nan 8.250 nan 0.000 0.440 286 I N 1.023 121.460 120.570 -0.222 0.000 2.252 286 I HA -0.223 3.947 4.170 0.000 0.000 0.245 286 I C 2.441 178.515 176.117 -0.071 0.000 1.102 286 I CA 1.126 62.270 61.300 -0.261 0.000 1.385 286 I CB -0.372 37.505 38.000 -0.205 0.000 1.064 286 I HN 0.265 nan 8.210 nan 0.000 0.414 287 A N 0.422 123.218 122.820 -0.040 0.000 2.019 287 A HA -0.223 4.097 4.320 0.000 0.000 0.219 287 A C 2.425 180.012 177.584 0.006 0.000 1.164 287 A CA 1.611 53.648 52.037 -0.000 0.000 0.644 287 A CB -0.553 18.442 19.000 -0.009 0.000 0.805 287 A HN 0.372 nan 8.150 nan 0.000 0.449 288 R N -0.580 119.909 120.500 -0.019 0.000 2.075 288 R HA 0.006 4.346 4.340 0.000 0.000 0.220 288 R C 1.828 178.138 176.300 0.017 0.000 1.118 288 R CA 1.119 57.215 56.100 -0.007 0.000 0.986 288 R CB -0.090 30.193 30.300 -0.028 0.000 0.884 288 R HN 0.611 nan 8.270 nan 0.000 0.439 289 E N -1.064 119.131 120.200 -0.010 0.000 2.230 289 E HA -0.114 4.236 4.350 0.000 0.000 0.192 289 E C 0.253 177.035 176.600 0.303 0.000 0.987 289 E CA 0.437 56.872 56.400 0.057 0.000 0.841 289 E CB 0.269 29.923 29.700 -0.077 0.000 0.783 289 E HN 0.391 nan 8.360 nan 0.000 0.481 290 W N 1.797 123.068 121.300 -0.049 0.000 2.570 290 W HA 0.280 4.940 4.660 0.000 0.000 0.410 290 W C 0.802 177.273 176.519 -0.081 0.000 0.889 290 W CA -1.218 56.077 57.345 -0.083 0.000 2.386 290 W CB -0.179 29.205 29.460 -0.127 0.000 1.228 290 W HN 0.081 nan 8.180 nan 0.000 0.692 291 E N 0.338 120.623 120.200 0.140 0.000 2.108 291 E HA -0.235 4.115 4.350 0.000 0.000 0.203 291 E C 0.881 177.498 176.600 0.029 0.000 1.022 291 E CA 1.892 58.331 56.400 0.065 0.000 0.823 291 E CB 0.072 29.800 29.700 0.046 0.000 0.744 291 E HN 0.160 nan 8.360 nan 0.000 0.456 292 D N 0.113 120.520 120.400 0.012 0.000 2.340 292 D HA 0.041 4.681 4.640 0.000 0.000 0.220 292 D C 0.558 176.819 176.300 -0.065 0.000 1.039 292 D CA 0.264 54.251 54.000 -0.021 0.000 0.866 292 D CB 0.170 40.959 40.800 -0.019 0.000 0.913 292 D HN 0.131 nan 8.370 nan 0.000 0.523 293 L N 1.434 122.588 121.223 -0.115 0.000 2.439 293 L HA 0.086 4.426 4.340 0.000 0.000 0.269 293 L C 0.433 177.212 176.870 -0.152 0.000 1.179 293 L CA -0.056 54.649 54.840 -0.225 0.000 0.828 293 L CB 0.679 42.440 42.059 -0.497 0.000 1.106 293 L HN -0.273 nan 8.230 nan 0.000 0.467 294 D N 3.696 124.017 120.400 -0.130 0.000 2.347 294 D HA 0.358 4.998 4.640 0.000 0.000 0.235 294 D C -0.322 175.946 176.300 -0.054 0.000 1.149 294 D CA -0.051 53.914 54.000 -0.059 0.000 0.850 294 D CB 1.635 42.425 40.800 -0.017 0.000 1.061 294 D HN 0.085 nan 8.370 nan 0.000 0.487 295 I N 2.420 122.968 120.570 -0.037 0.000 2.436 295 I HA 0.122 4.293 4.170 0.000 0.000 0.289 295 I C 0.843 176.971 176.117 0.017 0.000 1.010 295 I CA -0.479 60.821 61.300 -0.000 0.000 1.098 295 I CB 2.022 40.019 38.000 -0.004 0.000 1.266 295 I HN 0.203 nan 8.210 nan 0.000 0.434 296 D N 3.778 124.196 120.400 0.029 0.000 2.338 296 D HA 0.113 4.753 4.640 0.000 0.000 0.208 296 D C 0.378 176.675 176.300 -0.005 0.000 0.997 296 D CA 0.970 54.975 54.000 0.008 0.000 0.880 296 D CB 1.764 42.565 40.800 0.002 0.000 0.980 296 D HN 0.254 nan 8.370 nan 0.000 0.509 297 V N 0.367 120.280 119.914 -0.002 0.000 3.167 297 V HA 0.273 4.394 4.120 0.000 0.000 0.293 297 V C -1.757 174.331 176.094 -0.010 0.000 1.379 297 V CA -0.741 61.541 62.300 -0.030 0.000 1.019 297 V CB 2.505 34.267 31.823 -0.101 0.000 1.115 297 V HN -0.253 nan 8.190 nan 0.000 0.442 298 V N 6.571 126.478 119.914 -0.011 0.000 2.370 298 V HA 0.587 4.707 4.120 0.000 0.000 0.283 298 V C -0.234 175.805 176.094 -0.092 0.000 1.023 298 V CA -0.301 62.012 62.300 0.021 0.000 0.857 298 V CB 1.400 33.279 31.823 0.094 0.000 0.985 298 V HN 0.640 nan 8.190 nan 0.000 0.443 299 I N 7.870 128.400 120.570 -0.068 0.000 2.410 299 I HA 0.401 4.571 4.170 0.000 0.000 0.286 299 I C -2.336 173.796 176.117 0.025 0.000 1.009 299 I CA -1.945 59.270 61.300 -0.141 0.000 1.111 299 I CB 2.720 40.622 38.000 -0.164 0.000 1.262 299 I HN 0.433 nan 8.210 nan 0.000 0.443 300 P HA 0.270 nan 4.420 nan 0.000 0.277 300 P C -0.624 176.781 177.300 0.175 0.000 1.240 300 P CA -0.202 62.969 63.100 0.118 0.000 0.798 300 P CB 1.458 33.257 31.700 0.164 0.000 0.979 301 I N 3.866 124.516 120.570 0.132 0.000 2.297 301 I HA 0.221 4.391 4.170 0.000 0.000 0.291 301 I C -2.035 174.101 176.117 0.031 0.000 1.033 301 I CA -2.655 58.682 61.300 0.061 0.000 1.253 301 I CB 1.041 39.019 38.000 -0.037 0.000 1.396 301 I HN 0.120 nan 8.210 nan 0.000 0.476 302 P HA 0.007 nan 4.420 nan 0.000 0.267 302 P C -0.186 177.104 177.300 -0.016 0.000 1.201 302 P CA 0.189 63.306 63.100 0.030 0.000 0.775 302 P CB 0.560 32.286 31.700 0.043 0.000 0.854 303 E N -0.505 119.687 120.200 -0.013 0.000 2.453 303 E HA 0.006 4.356 4.350 0.000 0.000 0.211 303 E C 1.222 177.837 176.600 0.025 0.000 0.897 303 E CA 0.183 56.590 56.400 0.012 0.000 1.063 303 E CB -0.617 29.080 29.700 -0.005 0.000 1.080 303 E HN 0.280 nan 8.360 nan 0.000 0.512 304 T N 1.290 115.853 114.554 0.016 0.000 2.720 304 T HA -0.141 4.209 4.350 0.000 0.000 0.268 304 T C 1.997 176.731 174.700 0.057 0.000 1.037 304 T CA 1.702 63.825 62.100 0.038 0.000 1.144 304 T CB -0.222 68.678 68.868 0.054 0.000 0.864 304 T HN 0.060 nan 8.240 nan 0.000 0.444 305 S N 0.430 116.163 115.700 0.056 0.000 2.515 305 S HA -0.054 4.416 4.470 0.000 0.000 0.231 305 S C 2.334 177.005 174.600 0.120 0.000 0.987 305 S CA 0.266 58.512 58.200 0.076 0.000 0.936 305 S CB -0.629 62.612 63.200 0.068 0.000 0.766 305 S HN 0.608 nan 8.310 nan 0.000 0.528 306 C N 2.224 121.607 119.300 0.138 0.000 2.401 306 C HA -0.133 4.328 4.460 0.000 0.000 0.276 306 C C 2.395 177.479 174.990 0.157 0.000 1.233 306 C CA 0.505 59.656 59.018 0.221 0.000 1.753 306 C CB -1.089 26.771 27.740 0.200 0.000 2.029 306 C HN 0.603 nan 8.230 nan 0.000 0.478 307 D N 0.503 120.958 120.400 0.093 0.000 2.162 307 D HA -0.006 4.634 4.640 0.000 0.000 0.203 307 D C 2.016 178.321 176.300 0.008 0.000 0.967 307 D CA 0.984 55.012 54.000 0.046 0.000 0.840 307 D CB -0.222 40.665 40.800 0.146 0.000 0.972 307 D HN 0.502 nan 8.370 nan 0.000 0.482 308 I N 1.632 122.221 120.570 0.032 0.000 2.179 308 I HA -0.238 3.932 4.170 0.000 0.000 0.242 308 I C 2.632 178.771 176.117 0.037 0.000 1.088 308 I CA 0.933 62.240 61.300 0.011 0.000 1.357 308 I CB -0.266 37.747 38.000 0.022 0.000 1.051 308 I HN -0.093 nan 8.210 nan 0.000 0.409 309 A N 0.623 123.507 122.820 0.105 0.000 1.969 309 A HA -0.186 4.134 4.320 0.000 0.000 0.218 309 A C 2.234 179.931 177.584 0.188 0.000 1.169 309 A CA 1.238 53.381 52.037 0.177 0.000 0.635 309 A CB -0.646 18.518 19.000 0.272 0.000 0.810 309 A HN 0.380 nan 8.150 nan 0.000 0.445 310 L N -0.011 121.234 121.223 0.037 0.000 2.046 310 L HA -0.129 4.211 4.340 0.000 0.000 0.208 310 L C 2.230 179.047 176.870 -0.090 0.000 1.077 310 L CA 2.747 57.451 54.840 -0.226 0.000 0.747 310 L CB -0.614 41.168 42.059 -0.462 0.000 0.896 310 L HN 0.467 nan 8.230 nan 0.000 0.432 311 E N -0.160 120.002 120.200 -0.063 0.000 2.106 311 E HA -0.195 4.155 4.350 0.000 0.000 0.192 311 E C 2.087 178.672 176.600 -0.024 0.000 0.984 311 E CA 1.712 58.079 56.400 -0.055 0.000 0.806 311 E CB -0.381 29.276 29.700 -0.072 0.000 0.750 311 E HN 0.615 nan 8.360 nan 0.000 0.458 312 I N 0.407 120.978 120.570 0.002 0.000 2.142 312 I HA -0.298 3.872 4.170 0.000 0.000 0.240 312 I C 2.392 178.527 176.117 0.031 0.000 1.078 312 I CA 1.231 62.539 61.300 0.013 0.000 1.343 312 I CB -0.454 37.564 38.000 0.030 0.000 1.046 312 I HN 0.213 nan 8.210 nan 0.000 0.405 313 A N 0.492 123.352 122.820 0.066 0.000 1.940 313 A HA -0.268 4.052 4.320 0.000 0.000 0.219 313 A C 2.436 180.042 177.584 0.038 0.000 1.176 313 A CA 1.890 53.974 52.037 0.078 0.000 0.631 313 A CB -0.688 18.404 19.000 0.153 0.000 0.814 313 A HN 0.361 nan 8.150 nan 0.000 0.446 314 R N -0.499 120.007 120.500 0.011 0.000 2.070 314 R HA -0.101 4.239 4.340 0.000 0.000 0.233 314 R C 1.940 178.236 176.300 -0.006 0.000 1.137 314 R CA 1.680 57.776 56.100 -0.007 0.000 0.945 314 R CB -0.304 29.979 30.300 -0.029 0.000 0.845 314 R HN 0.449 nan 8.270 nan 0.000 0.430 315 I N 1.370 121.933 120.570 -0.011 0.000 2.208 315 I HA -0.268 3.902 4.170 0.000 0.000 0.245 315 I C 2.147 178.262 176.117 -0.004 0.000 1.097 315 I CA 1.417 62.709 61.300 -0.014 0.000 1.363 315 I CB -0.820 37.167 38.000 -0.023 0.000 1.051 315 I HN 0.315 nan 8.210 nan 0.000 0.413 316 L N 0.326 121.553 121.223 0.006 0.000 2.552 316 L HA 0.103 4.443 4.340 0.000 0.000 0.227 316 L C 1.419 178.298 176.870 0.015 0.000 1.146 316 L CA 0.561 55.410 54.840 0.014 0.000 0.858 316 L CB -0.778 41.298 42.059 0.028 0.000 0.969 316 L HN 0.472 nan 8.230 nan 0.000 0.451 317 G N 1.050 109.858 108.800 0.013 0.000 2.273 317 G HA2 -0.243 3.717 3.960 0.000 0.000 0.280 317 G HA3 -0.243 3.717 3.960 0.000 0.000 0.280 317 G C 0.064 174.974 174.900 0.018 0.000 1.047 317 G CA 0.232 45.339 45.100 0.012 0.000 0.869 317 G HN 0.230 nan 8.290 nan 0.000 0.502 318 K N -0.002 120.415 120.400 0.028 0.000 2.340 318 K HA 0.586 4.906 4.320 0.000 0.000 0.244 318 K C -2.361 174.266 176.600 0.045 0.000 0.973 318 K CA -2.061 54.244 56.287 0.031 0.000 0.828 318 K CB 2.330 34.852 32.500 0.036 0.000 1.226 318 K HN 0.098 nan 8.250 nan 0.000 0.437 319 P HA 0.096 nan 4.420 nan 0.000 0.275 319 P C -1.033 176.318 177.300 0.085 0.000 1.228 319 P CA -0.202 62.930 63.100 0.052 0.000 0.786 319 P CB 0.409 32.118 31.700 0.015 0.000 0.927 320 Y N 3.539 123.825 120.300 -0.022 0.000 2.330 320 Y HA 0.492 5.042 4.550 0.000 0.000 0.336 320 Y C -0.313 175.563 175.900 -0.040 0.000 1.036 320 Y CA -0.575 57.511 58.100 -0.023 0.000 1.125 320 Y CB 1.105 39.560 38.460 -0.010 0.000 1.194 320 Y HN 0.228 nan 8.280 nan 0.000 0.469 321 R N 4.565 124.755 120.500 -0.516 0.000 2.725 321 R HA 0.170 4.510 4.340 0.000 0.000 0.277 321 R C -1.341 174.613 176.300 -0.578 0.000 0.987 321 R CA -1.026 54.818 56.100 -0.426 0.000 0.901 321 R CB 1.920 32.047 30.300 -0.288 0.000 1.207 321 R HN 0.854 nan 8.270 nan 0.000 0.463 322 Q N 1.308 120.890 119.800 -0.363 0.000 2.513 322 Q HA 0.173 4.513 4.340 0.000 0.000 0.227 322 Q C 0.419 176.268 176.000 -0.252 0.000 1.257 322 Q CA 0.075 55.729 55.803 -0.249 0.000 0.915 322 Q CB 0.244 28.930 28.738 -0.087 0.000 1.507 322 Q HN 0.874 nan 8.270 nan 0.000 0.543 323 G N 3.080 111.665 108.800 -0.358 0.000 2.603 323 G HA2 0.012 3.972 3.960 0.000 0.000 0.214 323 G HA3 0.012 3.972 3.960 0.000 0.000 0.214 323 G C -0.152 174.563 174.900 -0.307 0.000 1.140 323 G CA 0.031 44.782 45.100 -0.582 0.000 0.800 323 G HN 0.471 nan 8.290 nan 0.000 0.533 324 F N -0.064 119.923 119.950 0.061 0.000 2.520 324 F HA 0.615 5.142 4.527 0.000 0.000 0.322 324 F C -0.455 175.370 175.800 0.043 0.000 1.103 324 F CA -1.346 56.716 58.000 0.105 0.000 0.926 324 F CB 2.587 41.653 39.000 0.110 0.000 1.154 324 F HN -0.267 nan 8.300 nan 0.000 0.453 325 V N 3.320 123.392 119.914 0.264 0.000 2.444 325 V HA 0.316 4.436 4.120 0.000 0.000 0.294 325 V C -0.169 175.991 176.094 0.110 0.000 1.022 325 V CA -1.295 61.090 62.300 0.143 0.000 0.850 325 V CB 1.637 33.522 31.823 0.102 0.000 0.992 325 V HN 0.629 nan 8.190 nan 0.000 0.426 326 K N 4.003 124.443 120.400 0.067 0.000 2.339 326 K HA 0.201 4.521 4.320 0.000 0.000 0.286 326 K C 0.006 176.616 176.600 0.017 0.000 1.050 326 K CA -0.431 55.871 56.287 0.025 0.000 0.956 326 K CB 0.386 32.884 32.500 -0.003 0.000 0.990 326 K HN 0.626 nan 8.250 nan 0.000 0.475 327 N N 4.197 122.907 118.700 0.017 0.000 2.406 327 N HA -0.017 4.723 4.740 0.000 0.000 0.265 327 N C 0.676 176.170 175.510 -0.027 0.000 1.203 327 N CA 0.184 53.254 53.050 0.032 0.000 0.945 327 N CB 1.064 39.581 38.487 0.051 0.000 1.165 327 N HN 0.597 nan 8.380 nan 0.000 0.485 328 R N 2.381 122.822 120.500 -0.097 0.000 2.152 328 R HA -0.085 4.255 4.340 0.000 0.000 0.232 328 R C -0.378 175.638 176.300 -0.473 0.000 1.117 328 R CA 1.234 57.130 56.100 -0.340 0.000 0.981 328 R CB 0.154 30.127 30.300 -0.544 0.000 0.870 328 R HN 0.483 nan 8.270 nan 0.000 0.451 329 Y N -0.431 119.873 120.300 0.008 0.000 2.328 329 Y HA 0.409 4.959 4.550 0.000 0.000 0.337 329 Y C -0.438 175.464 175.900 0.003 0.000 0.966 329 Y CA -1.006 57.097 58.100 0.006 0.000 1.136 329 Y CB 1.921 40.389 38.460 0.013 0.000 1.170 329 Y HN -0.325 nan 8.280 nan 0.000 0.470 330 V N 2.638 122.618 119.914 0.111 0.000 2.628 330 V HA 0.863 4.983 4.120 0.000 0.000 0.306 330 V C 0.306 176.431 176.094 0.051 0.000 1.045 330 V CA -0.723 61.612 62.300 0.058 0.000 0.905 330 V CB 1.847 33.675 31.823 0.008 0.000 0.997 330 V HN 0.945 nan 8.190 nan 0.000 0.436 331 G N 2.680 111.499 108.800 0.030 0.000 2.932 331 G HA2 0.698 4.659 3.960 0.000 0.000 0.283 331 G HA3 0.698 4.659 3.960 0.000 0.000 0.283 331 G C -0.605 174.254 174.900 -0.069 0.000 1.336 331 G CA -0.976 44.128 45.100 0.007 0.000 1.056 331 G HN 0.813 nan 8.290 nan 0.000 0.522 332 R N -1.585 118.811 120.500 -0.175 0.000 2.608 332 R HA 0.694 5.034 4.340 0.000 0.000 0.255 332 R C -0.970 175.082 176.300 -0.413 0.000 1.086 332 R CA -0.540 55.366 56.100 -0.325 0.000 1.125 332 R CB 0.698 30.717 30.300 -0.469 0.000 1.193 332 R HN 0.313 nan 8.270 nan 0.000 0.553 333 T N 1.390 115.717 114.554 -0.379 0.000 2.794 333 T HA 0.433 4.783 4.350 0.000 0.000 0.280 333 T C -0.866 173.647 174.700 -0.310 0.000 0.987 333 T CA -0.391 61.574 62.100 -0.225 0.000 0.993 333 T CB 0.476 69.289 68.868 -0.092 0.000 0.939 333 T HN 0.290 nan 8.240 nan 0.000 0.449 334 F N 1.856 121.806 119.950 -0.000 0.000 2.421 334 F HA 0.511 5.038 4.527 0.000 0.000 0.337 334 F C 0.621 176.420 175.800 -0.001 0.000 1.105 334 F CA -1.254 56.746 58.000 -0.001 0.000 1.049 334 F CB 0.781 39.781 39.000 -0.000 0.000 1.139 334 F HN 0.388 nan 8.300 nan 0.000 0.479 335 I N 5.083 125.759 120.570 0.177 0.000 2.260 335 I HA 0.140 4.310 4.170 0.000 0.000 0.297 335 I C -0.272 175.904 176.117 0.098 0.000 1.143 335 I CA 0.042 61.401 61.300 0.098 0.000 1.271 335 I CB -0.204 37.833 38.000 0.061 0.000 1.461 335 I HN 0.384 nan 8.210 nan 0.000 0.530 336 M N 6.428 126.077 119.600 0.082 0.000 2.444 336 M HA 0.476 4.957 4.480 0.000 0.000 0.319 336 M C -2.332 173.985 176.300 0.029 0.000 1.183 336 M CA -2.248 53.081 55.300 0.048 0.000 1.032 336 M CB 0.544 33.164 32.600 0.033 0.000 1.569 336 M HN 0.077 nan 8.290 nan 0.000 0.468 337 P HA 0.331 nan 4.420 nan 0.000 0.276 337 P C 0.788 178.093 177.300 0.008 0.000 1.235 337 P CA 0.540 63.647 63.100 0.011 0.000 0.772 337 P CB 0.628 32.331 31.700 0.005 0.000 0.871 338 G N 2.475 111.280 108.800 0.008 0.000 2.550 338 G HA2 -0.282 3.678 3.960 0.000 0.000 0.233 338 G HA3 -0.282 3.678 3.960 0.000 0.000 0.233 338 G C 0.102 175.007 174.900 0.008 0.000 1.170 338 G CA -0.245 44.859 45.100 0.007 0.000 0.693 338 G HN 0.610 nan 8.290 nan 0.000 0.512 339 Q N 1.530 121.337 119.800 0.011 0.000 2.337 339 Q HA 0.419 4.759 4.340 0.000 0.000 0.270 339 Q C 0.191 176.201 176.000 0.017 0.000 1.002 339 Q CA 0.129 55.940 55.803 0.014 0.000 0.888 339 Q CB 0.462 29.211 28.738 0.019 0.000 1.222 339 Q HN 0.627 nan 8.270 nan 0.000 0.400 340 Q N 1.638 121.447 119.800 0.014 0.000 2.297 340 Q HA 0.132 4.472 4.340 0.000 0.000 0.267 340 Q C -0.687 175.324 176.000 0.018 0.000 1.006 340 Q CA -0.384 55.427 55.803 0.013 0.000 0.896 340 Q CB 0.583 29.327 28.738 0.009 0.000 1.186 340 Q HN 0.382 nan 8.270 nan 0.000 0.392 341 L N 3.172 124.406 121.223 0.018 0.000 2.363 341 L HA 0.269 4.609 4.340 0.000 0.000 0.286 341 L C 0.128 177.006 176.870 0.013 0.000 1.106 341 L CA 0.723 55.576 54.840 0.021 0.000 0.859 341 L CB -0.277 41.794 42.059 0.019 0.000 1.223 341 L HN 0.623 nan 8.230 nan 0.000 0.446 342 R N 3.259 123.767 120.500 0.014 0.000 2.546 342 R HA 0.848 5.188 4.340 0.000 0.000 0.266 342 R C 0.688 176.991 176.300 0.004 0.000 1.086 342 R CA 0.064 56.169 56.100 0.008 0.000 1.160 342 R CB -0.429 29.877 30.300 0.009 0.000 1.138 342 R HN 1.095 nan 8.270 nan 0.000 0.567 343 R N 1.128 121.628 120.500 -0.000 0.000 2.499 343 R HA -0.122 4.218 4.340 0.000 0.000 0.266 343 R C 0.438 176.732 176.300 -0.009 0.000 0.925 343 R CA 1.626 57.723 56.100 -0.005 0.000 1.060 343 R CB -0.978 29.319 30.300 -0.006 0.000 0.847 343 R HN 0.975 nan 8.270 nan 0.000 0.428 344 K N 2.039 122.431 120.400 -0.013 0.000 2.262 344 K HA 0.401 4.721 4.320 0.000 0.000 0.282 344 K C -0.888 175.700 176.600 -0.020 0.000 1.066 344 K CA -0.103 56.173 56.287 -0.019 0.000 0.901 344 K CB 0.811 33.299 32.500 -0.020 0.000 1.089 344 K HN 0.703 nan 8.250 nan 0.000 0.476 345 S N 2.298 117.985 115.700 -0.022 0.000 2.600 345 S HA 0.284 4.754 4.470 0.000 0.000 0.300 345 S C 0.540 175.121 174.600 -0.032 0.000 1.087 345 S CA -0.903 57.282 58.200 -0.024 0.000 0.965 345 S CB 1.957 65.147 63.200 -0.017 0.000 1.089 345 S HN 0.440 nan 8.310 nan 0.000 0.496 346 V N 1.631 121.519 119.914 -0.042 0.000 3.471 346 V HA 0.125 4.245 4.120 0.000 0.000 0.258 346 V C 2.216 178.279 176.094 -0.052 0.000 1.192 346 V CA 0.826 63.090 62.300 -0.061 0.000 1.116 346 V CB -0.415 31.353 31.823 -0.091 0.000 0.792 346 V HN 0.724 nan 8.190 nan 0.000 0.459 347 R N 0.140 120.622 120.500 -0.030 0.000 2.189 347 R HA -0.059 4.281 4.340 0.000 0.000 0.223 347 R C 2.346 178.647 176.300 0.002 0.000 1.092 347 R CA 0.827 56.923 56.100 -0.008 0.000 0.989 347 R CB 0.023 30.323 30.300 0.000 0.000 0.876 347 R HN 0.281 nan 8.270 nan 0.000 0.457 348 R N 0.254 120.750 120.500 -0.006 0.000 2.148 348 R HA -0.045 4.295 4.340 0.000 0.000 0.223 348 R C 1.310 177.610 176.300 0.000 0.000 1.088 348 R CA 1.235 57.336 56.100 0.002 0.000 0.985 348 R CB 0.071 30.367 30.300 -0.006 0.000 0.880 348 R HN 0.231 nan 8.270 nan 0.000 0.451 349 K N -0.731 119.658 120.400 -0.018 0.000 2.354 349 K HA 0.177 4.497 4.320 0.000 0.000 0.194 349 K C -0.090 176.495 176.600 -0.025 0.000 1.038 349 K CA 0.027 56.299 56.287 -0.025 0.000 1.052 349 K CB 0.644 33.116 32.500 -0.046 0.000 0.861 349 K HN -0.142 nan 8.250 nan 0.000 0.535 350 L N 0.465 121.675 121.223 -0.020 0.000 2.472 350 L HA 0.384 4.724 4.340 0.000 0.000 0.260 350 L C -1.960 174.951 176.870 0.068 0.000 0.963 350 L CA -0.634 54.204 54.840 -0.004 0.000 0.829 350 L CB 2.219 44.204 42.059 -0.123 0.000 1.348 350 L HN -0.113 nan 8.230 nan 0.000 0.408 351 N N 1.948 120.739 118.700 0.151 0.000 2.238 351 N HA 0.816 5.556 4.740 0.000 0.000 0.302 351 N C -1.316 174.384 175.510 0.317 0.000 1.072 351 N CA -0.257 52.901 53.050 0.181 0.000 0.792 351 N CB 2.231 40.790 38.487 0.120 0.000 1.425 351 N HN 0.749 nan 8.380 nan 0.000 0.478 352 A N 2.638 125.619 122.820 0.269 0.000 2.274 352 A HA 0.314 4.634 4.320 0.000 0.000 0.309 352 A C -0.200 177.482 177.584 0.163 0.000 1.226 352 A CA -0.637 51.534 52.037 0.224 0.000 0.853 352 A CB 0.070 19.075 19.000 0.009 0.000 1.146 352 A HN 0.735 nan 8.150 nan 0.000 0.518 353 N N 2.595 121.387 118.700 0.154 0.000 2.402 353 N HA 0.035 4.775 4.740 0.000 0.000 0.259 353 N C 1.194 176.777 175.510 0.123 0.000 1.167 353 N CA -0.038 53.054 53.050 0.069 0.000 0.949 353 N CB 0.198 38.666 38.487 -0.031 0.000 1.212 353 N HN 0.700 nan 8.380 nan 0.000 0.493 354 R N 2.801 123.368 120.500 0.111 0.000 2.133 354 R HA -0.221 4.119 4.340 0.000 0.000 0.245 354 R C 1.746 178.104 176.300 0.097 0.000 1.137 354 R CA 2.170 58.341 56.100 0.119 0.000 0.947 354 R CB -0.556 29.777 30.300 0.055 0.000 0.865 354 R HN 0.611 nan 8.270 nan 0.000 0.437 355 A N 1.312 124.146 122.820 0.023 0.000 2.076 355 A HA -0.162 4.158 4.320 0.000 0.000 0.220 355 A C 1.646 179.184 177.584 -0.077 0.000 1.160 355 A CA 1.362 53.389 52.037 -0.018 0.000 0.653 355 A CB -0.195 18.788 19.000 -0.029 0.000 0.801 355 A HN 0.237 nan 8.150 nan 0.000 0.455 356 E N -1.516 118.584 120.200 -0.166 0.000 2.478 356 E HA 0.047 4.397 4.350 0.000 0.000 0.194 356 E C 0.647 176.919 176.600 -0.548 0.000 1.045 356 E CA 0.461 56.633 56.400 -0.381 0.000 0.868 356 E CB -0.121 29.254 29.700 -0.542 0.000 0.885 356 E HN 0.779 nan 8.360 nan 0.000 0.505 357 F N 0.162 120.033 119.950 -0.132 0.000 2.680 357 F HA 0.210 4.737 4.527 0.000 0.000 0.290 357 F C 1.226 176.980 175.800 -0.077 0.000 1.114 357 F CA -0.514 57.413 58.000 -0.121 0.000 1.333 357 F CB 0.242 39.154 39.000 -0.147 0.000 1.091 357 F HN -0.259 nan 8.300 nan 0.000 0.606 358 R N 2.316 122.875 120.500 0.098 0.000 2.501 358 R HA -0.114 4.226 4.340 0.000 0.000 0.319 358 R C -0.327 175.987 176.300 0.024 0.000 0.913 358 R CA 0.688 56.818 56.100 0.050 0.000 1.104 358 R CB -0.457 29.859 30.300 0.026 0.000 0.901 358 R HN 0.235 nan 8.270 nan 0.000 0.407 359 D N 2.386 122.801 120.400 0.025 0.000 2.751 359 D HA -0.200 4.440 4.640 0.000 0.000 0.233 359 D C -0.869 175.439 176.300 0.014 0.000 1.149 359 D CA 1.384 55.392 54.000 0.014 0.000 0.682 359 D CB -0.464 40.340 40.800 0.005 0.000 1.068 359 D HN 0.570 nan 8.370 nan 0.000 0.429 360 K N -0.049 120.366 120.400 0.025 0.000 2.385 360 K HA 0.399 4.719 4.320 0.000 0.000 0.248 360 K C -0.157 176.471 176.600 0.047 0.000 0.955 360 K CA -0.871 55.429 56.287 0.022 0.000 0.816 360 K CB 1.374 33.870 32.500 -0.006 0.000 1.250 360 K HN -0.167 nan 8.250 nan 0.000 0.434 361 N N 1.915 120.653 118.700 0.063 0.000 2.439 361 N HA 0.183 4.923 4.740 0.000 0.000 0.249 361 N C -0.695 174.900 175.510 0.143 0.000 1.003 361 N CA -0.350 52.773 53.050 0.122 0.000 0.942 361 N CB 1.373 39.961 38.487 0.168 0.000 1.115 361 N HN 0.363 nan 8.380 nan 0.000 0.505 362 V N 0.312 120.320 119.914 0.157 0.000 2.547 362 V HA 0.613 4.733 4.120 0.000 0.000 0.299 362 V C -0.250 175.990 176.094 0.244 0.000 1.040 362 V CA -1.076 61.315 62.300 0.152 0.000 0.913 362 V CB 1.765 33.674 31.823 0.144 0.000 0.992 362 V HN 0.377 nan 8.190 nan 0.000 0.449 363 L N 5.559 126.907 121.223 0.207 0.000 2.295 363 L HA 0.599 4.939 4.340 0.000 0.000 0.281 363 L C -0.562 176.425 176.870 0.196 0.000 1.018 363 L CA -0.214 54.782 54.840 0.261 0.000 0.841 363 L CB 0.677 42.876 42.059 0.233 0.000 1.218 363 L HN 0.744 nan 8.230 nan 0.000 0.424 364 L N 5.534 126.888 121.223 0.218 0.000 2.350 364 L HA 0.572 4.912 4.340 0.000 0.000 0.275 364 L C -0.506 176.456 176.870 0.152 0.000 1.099 364 L CA -0.838 54.125 54.840 0.204 0.000 0.808 364 L CB 1.540 43.744 42.059 0.241 0.000 1.149 364 L HN 0.316 nan 8.230 nan 0.000 0.442 365 V N 1.504 121.494 119.914 0.127 0.000 2.444 365 V HA 0.410 4.531 4.120 0.000 0.000 0.294 365 V C -0.621 175.513 176.094 0.068 0.000 1.022 365 V CA -0.575 61.777 62.300 0.087 0.000 0.850 365 V CB 1.884 33.760 31.823 0.089 0.000 0.992 365 V HN 0.649 nan 8.190 nan 0.000 0.426 366 D N 1.849 122.271 120.400 0.037 0.000 2.419 366 D HA 0.307 4.947 4.640 0.000 0.000 0.234 366 D C 0.684 177.001 176.300 0.030 0.000 1.014 366 D CA -0.446 53.565 54.000 0.019 0.000 0.919 366 D CB 2.455 43.253 40.800 -0.003 0.000 1.366 366 D HN 0.686 nan 8.370 nan 0.000 0.490 367 D N -0.269 120.144 120.400 0.022 0.000 2.183 367 D HA -0.072 4.568 4.640 0.000 0.000 0.203 367 D C 0.296 176.679 176.300 0.139 0.000 0.969 367 D CA 0.403 54.443 54.000 0.067 0.000 0.842 367 D CB 0.274 41.106 40.800 0.054 0.000 0.957 367 D HN 0.267 nan 8.370 nan 0.000 0.484 368 S N -0.837 114.941 115.700 0.130 0.000 2.636 368 S HA 0.576 5.046 4.470 0.000 0.000 0.266 368 S C -1.331 173.386 174.600 0.195 0.000 1.147 368 S CA -1.098 57.253 58.200 0.251 0.000 0.815 368 S CB 1.321 64.775 63.200 0.422 0.000 1.119 368 S HN 0.136 nan 8.310 nan 0.000 0.470 369 I N 1.569 122.307 120.570 0.281 0.000 2.478 369 I HA 0.465 4.635 4.170 0.000 0.000 0.287 369 I C -0.123 176.129 176.117 0.225 0.000 1.042 369 I CA -0.751 60.685 61.300 0.226 0.000 1.067 369 I CB 1.991 40.161 38.000 0.284 0.000 1.233 369 I HN 0.583 nan 8.210 nan 0.000 0.431 370 V N 5.218 125.224 119.914 0.153 0.000 3.405 370 V HA 0.165 4.285 4.120 0.000 0.000 0.211 370 V C 1.851 177.992 176.094 0.078 0.000 1.151 370 V CA 0.345 62.715 62.300 0.117 0.000 1.323 370 V CB -0.192 31.701 31.823 0.116 0.000 1.357 370 V HN 0.680 nan 8.190 nan 0.000 0.506 371 R N 0.346 120.882 120.500 0.059 0.000 2.161 371 R HA 0.212 4.553 4.340 0.000 0.000 0.213 371 R C 1.666 177.994 176.300 0.046 0.000 1.055 371 R CA 0.910 57.034 56.100 0.040 0.000 0.996 371 R CB -0.042 30.274 30.300 0.026 0.000 0.901 371 R HN 0.758 nan 8.270 nan 0.000 0.456 372 G N 0.112 108.944 108.800 0.054 0.000 2.176 372 G HA2 -0.310 3.651 3.960 0.000 0.000 0.253 372 G HA3 -0.310 3.651 3.960 0.000 0.000 0.253 372 G C 0.923 175.836 174.900 0.023 0.000 0.979 372 G CA 0.771 45.901 45.100 0.051 0.000 0.641 372 G HN 0.353 nan 8.290 nan 0.000 0.530 373 T N 1.030 115.592 114.554 0.013 0.000 2.737 373 T HA -0.096 4.254 4.350 0.000 0.000 0.265 373 T C 2.773 177.462 174.700 -0.018 0.000 1.038 373 T CA 3.016 65.114 62.100 -0.002 0.000 1.144 373 T CB -0.815 68.051 68.868 -0.004 0.000 0.866 373 T HN 1.037 nan 8.240 nan 0.000 0.434 374 T N 1.446 115.985 114.554 -0.025 0.000 2.746 374 T HA -0.113 4.237 4.350 0.000 0.000 0.267 374 T C 2.261 176.922 174.700 -0.064 0.000 1.039 374 T CA 1.544 63.612 62.100 -0.053 0.000 1.142 374 T CB -0.860 67.970 68.868 -0.064 0.000 0.866 374 T HN 0.330 nan 8.240 nan 0.000 0.444 375 S N 1.464 117.139 115.700 -0.042 0.000 2.374 375 S HA -0.152 4.318 4.470 0.000 0.000 0.227 375 S C 2.016 176.596 174.600 -0.032 0.000 1.037 375 S CA 1.271 59.449 58.200 -0.037 0.000 1.024 375 S CB -0.487 62.709 63.200 -0.007 0.000 0.861 375 S HN 0.550 nan 8.310 nan 0.000 0.456 376 E N 1.249 121.435 120.200 -0.023 0.000 2.031 376 E HA -0.185 4.165 4.350 0.000 0.000 0.193 376 E C 2.256 178.836 176.600 -0.034 0.000 0.994 376 E CA 1.207 57.595 56.400 -0.021 0.000 0.800 376 E CB -0.161 29.530 29.700 -0.014 0.000 0.752 376 E HN 0.616 nan 8.360 nan 0.000 0.447 377 Q N -0.054 119.719 119.800 -0.044 0.000 2.119 377 Q HA -0.081 4.259 4.340 0.000 0.000 0.201 377 Q C 2.333 178.291 176.000 -0.070 0.000 0.972 377 Q CA 0.936 56.708 55.803 -0.053 0.000 0.847 377 Q CB 0.004 28.709 28.738 -0.055 0.000 0.903 377 Q HN 0.331 nan 8.270 nan 0.000 0.433 378 I N 0.313 120.823 120.570 -0.100 0.000 2.252 378 I HA -0.279 3.891 4.170 0.000 0.000 0.245 378 I C 2.061 178.169 176.117 -0.016 0.000 1.102 378 I CA 1.086 62.300 61.300 -0.145 0.000 1.385 378 I CB -0.147 37.697 38.000 -0.259 0.000 1.064 378 I HN 0.198 nan 8.210 nan 0.000 0.414 379 I N 0.519 121.080 120.570 -0.016 0.000 2.226 379 I HA -0.310 3.860 4.170 0.000 0.000 0.245 379 I C 2.649 178.743 176.117 -0.039 0.000 1.100 379 I CA 1.464 62.761 61.300 -0.005 0.000 1.374 379 I CB -0.362 37.626 38.000 -0.020 0.000 1.057 379 I HN 0.294 nan 8.210 nan 0.000 0.413 380 E N 0.985 121.158 120.200 -0.045 0.000 2.077 380 E HA -0.257 4.093 4.350 0.000 0.000 0.193 380 E C 2.349 178.904 176.600 -0.075 0.000 0.989 380 E CA 1.379 57.746 56.400 -0.055 0.000 0.800 380 E CB -0.032 29.641 29.700 -0.044 0.000 0.746 380 E HN 0.435 nan 8.360 nan 0.000 0.452 381 M N 0.185 119.747 119.600 -0.064 0.000 2.117 381 M HA -0.134 4.346 4.480 0.000 0.000 0.262 381 M C 2.452 178.598 176.300 -0.258 0.000 1.065 381 M CA 1.443 56.693 55.300 -0.085 0.000 1.114 381 M CB -0.161 32.457 32.600 0.029 0.000 1.361 381 M HN 0.195 nan 8.290 nan 0.000 0.408 382 A N 0.538 123.182 122.820 -0.293 0.000 1.933 382 A HA -0.165 4.155 4.320 0.000 0.000 0.218 382 A C 2.151 179.514 177.584 -0.368 0.000 1.175 382 A CA 1.536 53.172 52.037 -0.668 0.000 0.628 382 A CB -0.573 18.271 19.000 -0.260 0.000 0.814 382 A HN 0.440 nan 8.150 nan 0.000 0.444 383 R N -0.528 119.860 120.500 -0.186 0.000 2.075 383 R HA -0.101 4.239 4.340 0.000 0.000 0.232 383 R C 2.102 178.337 176.300 -0.107 0.000 1.126 383 R CA 1.488 57.520 56.100 -0.114 0.000 0.963 383 R CB -0.346 29.904 30.300 -0.083 0.000 0.858 383 R HN 0.662 nan 8.270 nan 0.000 0.435 384 E N 0.663 120.793 120.200 -0.117 0.000 2.118 384 E HA -0.157 4.193 4.350 0.000 0.000 0.195 384 E C 1.661 178.207 176.600 -0.090 0.000 0.992 384 E CA 1.208 57.556 56.400 -0.087 0.000 0.804 384 E CB -0.053 29.602 29.700 -0.076 0.000 0.741 384 E HN 0.337 nan 8.360 nan 0.000 0.458 385 A N -0.008 122.717 122.820 -0.159 0.000 2.235 385 A HA 0.211 4.531 4.320 0.000 0.000 0.208 385 A C 1.596 179.179 177.584 -0.003 0.000 1.172 385 A CA 0.872 52.849 52.037 -0.099 0.000 0.786 385 A CB -0.340 18.535 19.000 -0.208 0.000 0.804 385 A HN 0.350 nan 8.150 nan 0.000 0.479 386 G N -2.362 106.424 108.800 -0.024 0.000 2.144 386 G HA2 0.147 4.107 3.960 0.000 0.000 0.218 386 G HA3 0.147 4.107 3.960 0.000 0.000 0.218 386 G C 0.354 175.274 174.900 0.034 0.000 0.988 386 G CA 0.115 45.222 45.100 0.011 0.000 0.659 386 G HN 1.532 nan 8.290 nan 0.000 0.522 387 A N -0.092 122.751 122.820 0.038 0.000 2.462 387 A HA 0.691 5.011 4.320 0.000 0.000 0.243 387 A C 1.247 178.835 177.584 0.006 0.000 1.076 387 A CA 1.096 53.172 52.037 0.065 0.000 0.773 387 A CB 0.477 19.537 19.000 0.099 0.000 1.010 387 A HN 0.362 nan 8.150 nan 0.000 0.493 388 K N 0.939 121.342 120.400 0.006 0.000 2.079 388 K HA 0.085 4.405 4.320 0.000 0.000 0.214 388 K C 0.015 176.579 176.600 -0.061 0.000 1.024 388 K CA 0.531 56.806 56.287 -0.019 0.000 0.948 388 K CB -0.178 32.321 32.500 -0.002 0.000 0.830 388 K HN 0.524 nan 8.250 nan 0.000 0.452 389 K N 1.883 122.243 120.400 -0.067 0.000 2.130 389 K HA 0.336 4.656 4.320 0.000 0.000 0.268 389 K C -0.685 175.732 176.600 -0.306 0.000 0.983 389 K CA -0.398 55.751 56.287 -0.231 0.000 0.893 389 K CB 2.035 34.435 32.500 -0.167 0.000 1.066 389 K HN -0.061 nan 8.250 nan 0.000 0.450 390 V N 4.247 123.863 119.914 -0.497 0.000 2.443 390 V HA 0.334 4.454 4.120 0.000 0.000 0.293 390 V C -1.144 174.638 176.094 -0.519 0.000 1.021 390 V CA -0.931 61.180 62.300 -0.315 0.000 0.848 390 V CB 0.613 32.358 31.823 -0.129 0.000 0.998 390 V HN 0.554 nan 8.190 nan 0.000 0.424 391 Y N 4.584 124.902 120.300 0.030 0.000 2.487 391 Y HA 0.800 5.350 4.550 0.000 0.000 0.337 391 Y C -0.262 175.727 175.900 0.148 0.000 1.076 391 Y CA -1.128 57.004 58.100 0.053 0.000 1.115 391 Y CB 1.971 40.426 38.460 -0.008 0.000 1.235 391 Y HN 0.523 nan 8.280 nan 0.000 0.468 392 L N 2.235 123.652 121.223 0.324 0.000 2.409 392 L HA 0.910 5.251 4.340 0.000 0.000 0.272 392 L C -1.112 175.835 176.870 0.129 0.000 0.980 392 L CA -0.735 54.214 54.840 0.182 0.000 0.826 392 L CB 1.489 43.586 42.059 0.065 0.000 1.268 392 L HN 0.693 nan 8.230 nan 0.000 0.407 393 A N 2.950 125.801 122.820 0.052 0.000 2.342 393 A HA 0.779 5.099 4.320 0.000 0.000 0.323 393 A C -0.769 176.758 177.584 -0.096 0.000 1.125 393 A CA -0.428 51.562 52.037 -0.079 0.000 0.785 393 A CB 1.416 20.375 19.000 -0.068 0.000 1.221 393 A HN 0.712 nan 8.150 nan 0.000 0.463 394 S N 1.627 117.229 115.700 -0.163 0.000 2.433 394 S HA 0.508 4.978 4.470 0.000 0.000 0.310 394 S C 1.061 175.676 174.600 0.026 0.000 1.097 394 S CA 0.035 58.202 58.200 -0.055 0.000 1.103 394 S CB 1.131 64.288 63.200 -0.072 0.000 0.992 394 S HN 1.510 nan 8.310 nan 0.000 0.469 395 A N 4.152 127.001 122.820 0.048 0.000 2.067 395 A HA 0.435 4.755 4.320 0.000 0.000 0.219 395 A C 1.136 178.753 177.584 0.054 0.000 1.158 395 A CA 1.134 53.193 52.037 0.036 0.000 0.661 395 A CB -0.539 18.484 19.000 0.039 0.000 0.801 395 A HN 1.135 nan 8.150 nan 0.000 0.452 396 A N -0.623 122.284 122.820 0.145 0.000 2.311 396 A HA 0.708 5.028 4.320 0.000 0.000 0.334 396 A C -2.770 174.937 177.584 0.205 0.000 1.139 396 A CA -1.984 50.146 52.037 0.155 0.000 0.830 396 A CB 0.664 19.913 19.000 0.415 0.000 1.234 396 A HN 0.116 nan 8.150 nan 0.000 0.483 397 P HA 0.234 nan 4.420 nan 0.000 0.275 397 P C -0.621 176.767 177.300 0.146 0.000 1.270 397 P CA -0.231 62.868 63.100 -0.002 0.000 0.791 397 P CB 0.306 31.838 31.700 -0.281 0.000 1.089 398 E N -0.093 119.970 120.200 -0.227 0.000 2.414 398 E HA 0.085 4.435 4.350 0.000 0.000 0.263 398 E C -0.290 176.360 176.600 0.085 0.000 1.000 398 E CA 0.623 56.782 56.400 -0.402 0.000 0.914 398 E CB -0.369 28.973 29.700 -0.596 0.000 0.948 398 E HN 0.248 nan 8.360 nan 0.000 0.444 399 I N 4.056 124.679 120.570 0.088 0.000 2.307 399 I HA 0.184 4.354 4.170 0.000 0.000 0.287 399 I C 0.958 177.042 176.117 -0.054 0.000 1.054 399 I CA -0.076 61.256 61.300 0.055 0.000 1.218 399 I CB 0.487 38.522 38.000 0.059 0.000 1.398 399 I HN 0.435 nan 8.210 nan 0.000 0.475 400 R N 3.957 124.389 120.500 -0.113 0.000 2.344 400 R HA 0.301 4.641 4.340 0.000 0.000 0.209 400 R C -0.523 175.423 176.300 -0.589 0.000 0.886 400 R CA 0.285 56.165 56.100 -0.367 0.000 1.040 400 R CB 0.477 30.407 30.300 -0.616 0.000 1.114 400 R HN 0.302 nan 8.270 nan 0.000 0.547 401 F N 1.519 121.444 119.950 -0.043 0.000 2.561 401 F HA 0.452 4.979 4.527 0.000 0.000 0.321 401 F C -2.150 173.582 175.800 -0.113 0.000 1.065 401 F CA -3.230 54.741 58.000 -0.049 0.000 0.934 401 F CB 1.220 40.218 39.000 -0.003 0.000 1.215 401 F HN -0.267 nan 8.300 nan 0.000 0.471 402 P HA 0.011 nan 4.420 nan 0.000 0.275 402 P C -1.042 176.255 177.300 -0.004 0.000 1.228 402 P CA -0.264 62.820 63.100 -0.027 0.000 0.786 402 P CB 0.888 32.541 31.700 -0.077 0.000 0.927 403 N N 2.044 120.661 118.700 -0.138 0.000 2.426 403 N HA 0.163 4.903 4.740 0.000 0.000 0.275 403 N C 0.366 175.775 175.510 -0.168 0.000 1.019 403 N CA -0.335 52.611 53.050 -0.173 0.000 0.941 403 N CB 1.031 39.344 38.487 -0.290 0.000 1.123 403 N HN 0.174 nan 8.380 nan 0.000 0.486 404 V N 2.046 121.814 119.914 -0.243 0.000 3.085 404 V HA 0.346 4.466 4.120 0.000 0.000 0.345 404 V C -0.429 175.572 176.094 -0.154 0.000 1.397 404 V CA -0.143 62.031 62.300 -0.209 0.000 1.165 404 V CB -0.931 30.791 31.823 -0.168 0.000 1.153 404 V HN 0.481 nan 8.190 nan 0.000 0.495 405 Y N 1.474 121.804 120.300 0.050 0.000 2.584 405 Y HA 0.727 5.277 4.550 0.000 0.000 0.254 405 Y C 1.767 177.647 175.900 -0.034 0.000 1.177 405 Y CA -0.771 57.350 58.100 0.035 0.000 1.216 405 Y CB 0.845 39.320 38.460 0.025 0.000 1.172 405 Y HN 0.430 nan 8.280 nan 0.000 0.529 406 G N -0.470 108.354 108.800 0.040 0.000 2.260 406 G HA2 -0.163 3.797 3.960 0.000 0.000 0.179 406 G HA3 -0.163 3.797 3.960 0.000 0.000 0.179 406 G C -0.195 174.572 174.900 -0.220 0.000 1.002 406 G CA -0.535 44.521 45.100 -0.073 0.000 0.677 406 G HN 0.032 nan 8.290 nan 0.000 0.486 407 I N 2.278 122.686 120.570 -0.269 0.000 2.315 407 I HA 0.308 4.478 4.170 0.000 0.000 0.291 407 I C -0.125 175.787 176.117 -0.340 0.000 1.006 407 I CA -0.792 60.241 61.300 -0.444 0.000 1.265 407 I CB 1.189 38.905 38.000 -0.473 0.000 1.387 407 I HN 0.157 nan 8.210 nan 0.000 0.475 408 D N 7.567 127.749 120.400 -0.363 0.000 2.401 408 D HA 0.232 4.873 4.640 0.000 0.000 0.254 408 D C -0.507 175.717 176.300 -0.128 0.000 1.192 408 D CA 0.310 54.209 54.000 -0.168 0.000 0.885 408 D CB 0.600 41.401 40.800 0.002 0.000 1.147 408 D HN 0.147 nan 8.370 nan 0.000 0.478 409 M N 4.379 123.910 119.600 -0.116 0.000 2.501 409 M HA 0.409 4.889 4.480 0.000 0.000 0.293 409 M C -2.378 173.876 176.300 -0.077 0.000 1.192 409 M CA -2.258 52.976 55.300 -0.110 0.000 0.886 409 M CB 1.869 34.358 32.600 -0.185 0.000 1.710 409 M HN 0.292 nan 8.290 nan 0.000 0.457 410 P HA 0.255 nan 4.420 nan 0.000 0.277 410 P C -0.458 176.784 177.300 -0.097 0.000 1.271 410 P CA -0.289 62.775 63.100 -0.059 0.000 0.795 410 P CB 0.185 31.864 31.700 -0.036 0.000 1.101 411 S N -0.843 114.793 115.700 -0.106 0.000 2.584 411 S HA 0.224 4.694 4.470 0.000 0.000 0.270 411 S C 1.616 176.113 174.600 -0.173 0.000 1.346 411 S CA -0.039 58.077 58.200 -0.140 0.000 1.018 411 S CB 0.040 63.162 63.200 -0.131 0.000 0.899 411 S HN 0.601 nan 8.310 nan 0.000 0.542 412 A N 2.309 124.974 122.820 -0.258 0.000 1.940 412 A HA -0.179 4.141 4.320 0.000 0.000 0.221 412 A C 2.287 179.651 177.584 -0.367 0.000 1.190 412 A CA 2.599 54.349 52.037 -0.478 0.000 0.647 412 A CB -2.213 16.306 19.000 -0.800 0.000 0.821 412 A HN 0.967 nan 8.150 nan 0.000 0.457 413 T N 0.230 114.663 114.554 -0.202 0.000 2.759 413 T HA -0.166 4.184 4.350 0.000 0.000 0.269 413 T C 1.436 176.118 174.700 -0.029 0.000 1.042 413 T CA 1.668 63.734 62.100 -0.057 0.000 1.140 413 T CB -0.354 68.487 68.868 -0.043 0.000 0.864 413 T HN 0.756 nan 8.240 nan 0.000 0.455 414 E N 0.618 120.786 120.200 -0.054 0.000 2.502 414 E HA 0.142 4.492 4.350 0.000 0.000 0.194 414 E C -0.023 176.567 176.600 -0.017 0.000 1.062 414 E CA -0.001 56.382 56.400 -0.028 0.000 0.867 414 E CB -0.069 29.611 29.700 -0.033 0.000 0.888 414 E HN 0.478 nan 8.360 nan 0.000 0.510 415 L N 1.924 123.130 121.223 -0.028 0.000 2.283 415 L HA 0.195 4.535 4.340 0.000 0.000 0.287 415 L C 1.432 178.319 176.870 0.029 0.000 1.073 415 L CA -0.232 54.603 54.840 -0.009 0.000 0.822 415 L CB 0.884 42.913 42.059 -0.049 0.000 1.186 415 L HN 0.087 nan 8.230 nan 0.000 0.436 416 I N 2.858 123.453 120.570 0.041 0.000 2.248 416 I HA -0.344 3.826 4.170 0.000 0.000 0.248 416 I C 2.357 178.499 176.117 0.041 0.000 1.107 416 I CA 1.815 63.146 61.300 0.051 0.000 1.373 416 I CB 0.344 38.388 38.000 0.073 0.000 1.055 416 I HN 0.838 nan 8.210 nan 0.000 0.418 417 A N -0.976 121.860 122.820 0.026 0.000 2.119 417 A HA -0.178 4.142 4.320 0.000 0.000 0.217 417 A C 1.339 178.872 177.584 -0.085 0.000 1.153 417 A CA 0.263 52.275 52.037 -0.042 0.000 0.692 417 A CB -0.834 18.096 19.000 -0.116 0.000 0.799 417 A HN 0.605 nan 8.150 nan 0.000 0.458 418 H N 0.209 119.185 119.070 -0.157 0.000 3.138 418 H HA 0.251 4.807 4.556 0.000 0.000 0.275 418 H C 1.321 176.563 175.328 -0.143 0.000 0.997 418 H CA 0.905 56.825 56.048 -0.213 0.000 1.460 418 H CB -0.039 29.602 29.762 -0.201 0.000 1.524 418 H HN 0.516 nan 8.280 nan 0.000 0.532 419 G N 4.988 113.425 108.800 -0.606 0.000 2.160 419 G HA2 -0.260 3.701 3.960 0.000 0.000 0.251 419 G HA3 -0.260 3.701 3.960 0.000 0.000 0.251 419 G C 0.041 174.821 174.900 -0.200 0.000 1.008 419 G CA 0.245 45.087 45.100 -0.430 0.000 0.724 419 G HN 0.682 nan 8.290 nan 0.000 0.514 420 R N -0.394 120.018 120.500 -0.147 0.000 2.725 420 R HA 0.503 4.843 4.340 0.000 0.000 0.277 420 R C -0.401 175.868 176.300 -0.052 0.000 0.987 420 R CA -0.994 55.065 56.100 -0.069 0.000 0.901 420 R CB 1.547 31.830 30.300 -0.029 0.000 1.207 420 R HN 0.242 nan 8.270 nan 0.000 0.463 421 E N 0.916 121.109 120.200 -0.013 0.000 2.280 421 E HA 0.115 4.465 4.350 0.000 0.000 0.261 421 E C 1.117 177.757 176.600 0.066 0.000 1.088 421 E CA -0.428 55.978 56.400 0.009 0.000 0.915 421 E CB 1.360 31.072 29.700 0.021 0.000 1.141 421 E HN 0.209 nan 8.360 nan 0.000 0.433 422 V N 0.899 120.880 119.914 0.112 0.000 2.252 422 V HA -0.316 3.804 4.120 0.000 0.000 0.249 422 V C 1.957 178.170 176.094 0.199 0.000 1.056 422 V CA 2.517 64.963 62.300 0.242 0.000 1.022 422 V CB -0.598 31.402 31.823 0.295 0.000 0.641 422 V HN 0.753 nan 8.190 nan 0.000 0.445 423 D N -0.592 119.892 120.400 0.140 0.000 2.149 423 D HA -0.228 4.412 4.640 0.000 0.000 0.198 423 D C 2.251 178.605 176.300 0.089 0.000 0.990 423 D CA 1.452 55.520 54.000 0.113 0.000 0.839 423 D CB -0.051 40.802 40.800 0.088 0.000 0.948 423 D HN 0.584 nan 8.370 nan 0.000 0.460 424 E N -0.302 119.943 120.200 0.075 0.000 2.106 424 E HA -0.144 4.206 4.350 0.000 0.000 0.192 424 E C 2.137 178.779 176.600 0.070 0.000 0.984 424 E CA 0.659 57.092 56.400 0.056 0.000 0.806 424 E CB -0.021 29.700 29.700 0.036 0.000 0.750 424 E HN 0.400 nan 8.360 nan 0.000 0.458 425 I N 0.799 121.431 120.570 0.103 0.000 2.226 425 I HA -0.272 3.898 4.170 0.000 0.000 0.245 425 I C 2.882 179.067 176.117 0.114 0.000 1.100 425 I CA 1.071 62.448 61.300 0.129 0.000 1.374 425 I CB -0.368 37.769 38.000 0.228 0.000 1.057 425 I HN 0.107 nan 8.210 nan 0.000 0.413 426 R N 0.993 121.567 120.500 0.123 0.000 2.091 426 R HA -0.227 4.113 4.340 0.000 0.000 0.238 426 R C 2.231 178.562 176.300 0.052 0.000 1.136 426 R CA 1.764 57.917 56.100 0.089 0.000 0.959 426 R CB -0.166 30.199 30.300 0.107 0.000 0.856 426 R HN 0.470 nan 8.270 nan 0.000 0.437 427 Q N -0.038 119.791 119.800 0.049 0.000 2.119 427 Q HA -0.098 4.242 4.340 0.000 0.000 0.201 427 Q C 2.221 178.234 176.000 0.021 0.000 0.972 427 Q CA 1.366 57.185 55.803 0.027 0.000 0.847 427 Q CB 0.024 28.778 28.738 0.026 0.000 0.903 427 Q HN 0.446 nan 8.270 nan 0.000 0.433 428 I N 1.125 121.714 120.570 0.031 0.000 2.202 428 I HA -0.247 3.923 4.170 0.000 0.000 0.242 428 I C 2.327 178.456 176.117 0.019 0.000 1.091 428 I CA 1.089 62.403 61.300 0.025 0.000 1.368 428 I CB -0.322 37.698 38.000 0.033 0.000 1.058 428 I HN 0.284 nan 8.210 nan 0.000 0.410 429 I N -1.092 119.493 120.570 0.026 0.000 3.291 429 I HA 0.216 4.386 4.170 0.000 0.000 0.279 429 I C 1.369 177.485 176.117 -0.002 0.000 1.294 429 I CA 0.763 62.072 61.300 0.015 0.000 1.428 429 I CB -0.644 37.370 38.000 0.024 0.000 1.070 429 I HN 0.336 nan 8.210 nan 0.000 0.478 430 G N 1.701 110.498 108.800 -0.004 0.000 2.198 430 G HA2 -0.196 3.764 3.960 0.000 0.000 0.257 430 G HA3 -0.196 3.764 3.960 0.000 0.000 0.257 430 G C 0.265 175.140 174.900 -0.042 0.000 1.042 430 G CA 0.177 45.264 45.100 -0.021 0.000 0.791 430 G HN 0.966 nan 8.290 nan 0.000 0.502 431 A N -0.775 122.024 122.820 -0.035 0.000 2.264 431 A HA 0.692 5.012 4.320 0.000 0.000 0.304 431 A C 1.063 178.580 177.584 -0.112 0.000 1.100 431 A CA 0.259 52.253 52.037 -0.071 0.000 0.839 431 A CB 0.626 19.612 19.000 -0.023 0.000 1.121 431 A HN 0.136 nan 8.150 nan 0.000 0.496 432 D N -0.016 120.229 120.400 -0.257 0.000 2.333 432 D HA 0.213 4.853 4.640 0.000 0.000 0.208 432 D C 0.670 176.882 176.300 -0.148 0.000 0.984 432 D CA 1.476 55.289 54.000 -0.311 0.000 0.873 432 D CB 0.514 40.925 40.800 -0.647 0.000 0.935 432 D HN 0.704 nan 8.370 nan 0.000 0.521 433 G N 0.505 109.284 108.800 -0.034 0.000 2.702 433 G HA2 0.458 4.418 3.960 0.000 0.000 0.296 433 G HA3 0.458 4.418 3.960 0.000 0.000 0.296 433 G C -2.231 172.885 174.900 0.360 0.000 1.463 433 G CA -0.538 44.678 45.100 0.193 0.000 0.890 433 G HN 0.027 nan 8.290 nan 0.000 0.534 434 L N 1.563 123.070 121.223 0.474 0.000 2.464 434 L HA 0.900 5.241 4.340 0.000 0.000 0.266 434 L C -1.380 175.641 176.870 0.252 0.000 0.965 434 L CA -0.917 54.098 54.840 0.292 0.000 0.833 434 L CB 1.884 43.998 42.059 0.091 0.000 1.296 434 L HN 0.677 nan 8.230 nan 0.000 0.405 435 I N 3.822 124.344 120.570 -0.081 0.000 2.607 435 I HA 0.529 4.700 4.170 0.000 0.000 0.290 435 I C -1.565 174.373 176.117 -0.300 0.000 1.129 435 I CA -0.321 60.836 61.300 -0.239 0.000 1.042 435 I CB 1.507 39.055 38.000 -0.753 0.000 1.242 435 I HN 0.557 nan 8.210 nan 0.000 0.421 436 F N 4.501 124.407 119.950 -0.073 0.000 2.470 436 F HA 0.476 5.003 4.527 0.000 0.000 0.329 436 F C 0.341 176.086 175.800 -0.091 0.000 1.072 436 F CA -0.500 57.471 58.000 -0.047 0.000 0.989 436 F CB 1.414 40.414 39.000 -0.000 0.000 1.193 436 F HN 0.420 nan 8.300 nan 0.000 0.481 437 Q N 1.535 121.400 119.800 0.110 0.000 2.361 437 Q HA 0.075 4.416 4.340 0.000 0.000 0.276 437 Q C -1.066 174.919 176.000 -0.024 0.000 1.022 437 Q CA 0.046 55.844 55.803 -0.008 0.000 0.898 437 Q CB 0.447 29.160 28.738 -0.043 0.000 1.246 437 Q HN 0.391 nan 8.270 nan 0.000 0.410 438 D N 2.866 123.230 120.400 -0.060 0.000 2.302 438 D HA 0.001 4.641 4.640 0.000 0.000 0.248 438 D C 0.761 176.987 176.300 -0.123 0.000 1.094 438 D CA -0.236 53.722 54.000 -0.070 0.000 0.897 438 D CB 1.158 41.922 40.800 -0.059 0.000 1.200 438 D HN 0.600 nan 8.370 nan 0.000 0.429 439 L N 3.764 124.904 121.223 -0.138 0.000 2.042 439 L HA -0.216 4.124 4.340 0.000 0.000 0.210 439 L C 1.848 178.632 176.870 -0.143 0.000 1.076 439 L CA 1.725 56.448 54.840 -0.195 0.000 0.749 439 L CB -0.646 41.332 42.059 -0.135 0.000 0.893 439 L HN 0.499 nan 8.230 nan 0.000 0.432 440 N N -1.571 117.077 118.700 -0.086 0.000 2.309 440 N HA -0.211 4.529 4.740 0.000 0.000 0.182 440 N C 1.228 176.689 175.510 -0.081 0.000 1.018 440 N CA 1.598 54.610 53.050 -0.063 0.000 0.876 440 N CB -0.645 37.820 38.487 -0.037 0.000 0.972 440 N HN 0.380 nan 8.380 nan 0.000 0.434 441 D N 0.676 121.018 120.400 -0.097 0.000 2.149 441 D HA -0.048 4.592 4.640 0.000 0.000 0.201 441 D C 2.023 178.242 176.300 -0.135 0.000 0.972 441 D CA 0.274 54.214 54.000 -0.101 0.000 0.835 441 D CB -0.245 40.499 40.800 -0.093 0.000 0.966 441 D HN 0.195 nan 8.370 nan 0.000 0.476 442 L N 0.875 121.992 121.223 -0.176 0.000 2.017 442 L HA -0.090 4.250 4.340 0.000 0.000 0.208 442 L C 2.035 178.742 176.870 -0.270 0.000 1.073 442 L CA 1.394 56.098 54.840 -0.227 0.000 0.745 442 L CB -0.618 41.259 42.059 -0.304 0.000 0.894 442 L HN -0.012 nan 8.230 nan 0.000 0.432 443 I N -0.102 120.322 120.570 -0.245 0.000 2.127 443 I HA -0.324 3.846 4.170 0.000 0.000 0.241 443 I C 2.036 178.056 176.117 -0.161 0.000 1.075 443 I CA 1.637 62.789 61.300 -0.247 0.000 1.334 443 I CB -0.616 37.348 38.000 -0.060 0.000 1.040 443 I HN 0.291 nan 8.210 nan 0.000 0.405 444 D N 0.976 121.316 120.400 -0.100 0.000 2.178 444 D HA -0.138 4.502 4.640 0.000 0.000 0.201 444 D C 2.230 178.470 176.300 -0.099 0.000 0.980 444 D CA 1.440 55.400 54.000 -0.067 0.000 0.842 444 D CB -0.246 40.520 40.800 -0.056 0.000 0.948 444 D HN 0.380 nan 8.370 nan 0.000 0.472 445 A N 0.515 123.250 122.820 -0.143 0.000 1.902 445 A HA -0.134 4.186 4.320 0.000 0.000 0.217 445 A C 2.483 179.953 177.584 -0.191 0.000 1.181 445 A CA 1.300 53.245 52.037 -0.154 0.000 0.623 445 A CB -0.588 18.315 19.000 -0.162 0.000 0.818 445 A HN 0.167 nan 8.150 nan 0.000 0.443 446 V N -0.502 119.241 119.914 -0.285 0.000 2.346 446 V HA -0.130 3.990 4.120 0.000 0.000 0.244 446 V C 2.554 178.541 176.094 -0.178 0.000 1.037 446 V CA 1.915 63.979 62.300 -0.394 0.000 1.029 446 V CB -0.752 30.587 31.823 -0.806 0.000 0.663 446 V HN 0.631 nan 8.190 nan 0.000 0.454 447 R N 0.543 121.021 120.500 -0.037 0.000 2.152 447 R HA -0.127 4.213 4.340 0.000 0.000 0.232 447 R C 2.192 178.509 176.300 0.028 0.000 1.117 447 R CA 1.377 57.550 56.100 0.123 0.000 0.981 447 R CB -0.416 29.995 30.300 0.184 0.000 0.870 447 R HN 0.496 nan 8.270 nan 0.000 0.451 448 A N 0.814 123.620 122.820 -0.023 0.000 1.978 448 A HA -0.153 4.167 4.320 0.000 0.000 0.220 448 A C 1.684 179.258 177.584 -0.017 0.000 1.170 448 A CA 1.471 53.492 52.037 -0.026 0.000 0.636 448 A CB -0.251 18.720 19.000 -0.048 0.000 0.810 448 A HN 0.332 nan 8.150 nan 0.000 0.448 449 E N -0.670 119.515 120.200 -0.026 0.000 2.216 449 E HA -0.045 4.305 4.350 0.000 0.000 0.192 449 E C 0.052 176.671 176.600 0.031 0.000 0.988 449 E CA 0.581 56.979 56.400 -0.003 0.000 0.834 449 E CB -0.086 29.599 29.700 -0.025 0.000 0.772 449 E HN 0.574 nan 8.360 nan 0.000 0.479 450 N N 0.070 118.791 118.700 0.035 0.000 2.732 450 N HA 0.085 4.826 4.740 0.000 0.000 0.247 450 N C -2.400 173.130 175.510 0.033 0.000 1.305 450 N CA -1.491 51.586 53.050 0.045 0.000 0.762 450 N CB 1.229 39.755 38.487 0.066 0.000 1.361 450 N HN -0.257 nan 8.380 nan 0.000 0.545 451 P HA -0.025 nan 4.420 nan 0.000 0.231 451 P C 0.077 177.372 177.300 -0.008 0.000 1.158 451 P CA 0.697 63.804 63.100 0.012 0.000 0.763 451 P CB 0.567 32.272 31.700 0.009 0.000 0.805 452 D N -0.132 120.260 120.400 -0.013 0.000 2.224 452 D HA -0.021 4.619 4.640 0.000 0.000 0.205 452 D C 1.004 177.257 176.300 -0.077 0.000 0.965 452 D CA 0.595 54.576 54.000 -0.031 0.000 0.852 452 D CB -0.089 40.702 40.800 -0.015 0.000 0.947 452 D HN 0.171 nan 8.370 nan 0.000 0.494 453 I N 2.177 122.674 120.570 -0.123 0.000 2.517 453 I HA -0.022 4.148 4.170 0.000 0.000 0.285 453 I C 1.480 177.438 176.117 -0.264 0.000 1.106 453 I CA 0.155 61.283 61.300 -0.287 0.000 1.402 453 I CB 1.084 38.739 38.000 -0.576 0.000 1.399 453 I HN -0.119 nan 8.210 nan 0.000 0.535 454 Q N 4.688 124.352 119.800 -0.225 0.000 2.134 454 Q HA 0.127 4.467 4.340 0.000 0.000 0.195 454 Q C 0.158 176.078 176.000 -0.134 0.000 0.958 454 Q CA 1.047 56.770 55.803 -0.133 0.000 0.840 454 Q CB 0.392 29.078 28.738 -0.087 0.000 0.918 454 Q HN 0.645 nan 8.270 nan 0.000 0.467 455 Q N -0.612 119.061 119.800 -0.212 0.000 2.359 455 Q HA 0.482 4.822 4.340 0.000 0.000 0.274 455 Q C -1.223 174.639 176.000 -0.229 0.000 1.074 455 Q CA -0.422 55.315 55.803 -0.111 0.000 0.810 455 Q CB 2.065 30.785 28.738 -0.031 0.000 1.342 455 Q HN -0.019 nan 8.270 nan 0.000 0.427 456 F N 0.243 120.210 119.950 0.028 0.000 2.509 456 F HA 0.272 4.799 4.527 0.000 0.000 0.334 456 F C 0.751 176.587 175.800 0.061 0.000 1.060 456 F CA -0.858 57.177 58.000 0.058 0.000 0.997 456 F CB 0.905 39.957 39.000 0.087 0.000 1.271 456 F HN 0.336 nan 8.300 nan 0.000 0.488 457 E N 0.668 121.041 120.200 0.289 0.000 2.070 457 E HA 0.184 4.534 4.350 0.000 0.000 0.282 457 E C -0.672 176.062 176.600 0.223 0.000 1.104 457 E CA 0.083 56.594 56.400 0.185 0.000 0.876 457 E CB 0.581 30.362 29.700 0.135 0.000 1.055 457 E HN 0.703 nan 8.360 nan 0.000 0.401 458 C N 3.003 122.404 119.300 0.168 0.000 2.994 458 C HA 0.070 4.530 4.460 0.000 0.000 0.284 458 C C 2.133 177.138 174.990 0.025 0.000 1.404 458 C CA 0.151 59.302 59.018 0.222 0.000 1.775 458 C CB -1.366 26.523 27.740 0.248 0.000 2.458 458 C HN 0.747 nan 8.230 nan 0.000 0.593 459 S N 1.998 117.595 115.700 -0.172 0.000 2.387 459 S HA -0.207 4.263 4.470 0.000 0.000 0.230 459 S C 1.828 176.177 174.600 -0.418 0.000 1.035 459 S CA 2.078 59.974 58.200 -0.506 0.000 1.014 459 S CB -1.022 61.616 63.200 -0.937 0.000 0.836 459 S HN 0.768 nan 8.310 nan 0.000 0.466 460 V N -1.872 117.797 119.914 -0.408 0.000 2.720 460 V HA 0.016 4.136 4.120 0.000 0.000 0.256 460 V C 1.940 177.895 176.094 -0.232 0.000 1.082 460 V CA 1.304 63.363 62.300 -0.401 0.000 1.101 460 V CB -1.391 29.987 31.823 -0.741 0.000 0.693 460 V HN 0.406 nan 8.190 nan 0.000 0.479 461 F N 2.551 122.550 119.950 0.081 0.000 2.317 461 F HA 0.217 4.744 4.527 0.000 0.000 0.290 461 F C 2.188 178.094 175.800 0.176 0.000 1.075 461 F CA 1.011 59.083 58.000 0.121 0.000 1.380 461 F CB -0.677 38.360 39.000 0.063 0.000 1.093 461 F HN 0.467 nan 8.300 nan 0.000 0.524 462 N N -0.827 117.967 118.700 0.158 0.000 2.197 462 N HA 0.195 4.935 4.740 0.000 0.000 0.201 462 N C 1.429 176.565 175.510 -0.623 0.000 1.148 462 N CA 0.739 53.762 53.050 -0.045 0.000 0.883 462 N CB 0.231 38.708 38.487 -0.015 0.000 1.012 462 N HN 0.252 nan 8.380 nan 0.000 0.507 463 G N -0.168 107.913 108.800 -1.199 0.000 2.155 463 G HA2 -0.243 3.717 3.960 0.000 0.000 0.257 463 G HA3 -0.243 3.717 3.960 0.000 0.000 0.257 463 G C -0.516 173.911 174.900 -0.788 0.000 0.983 463 G CA 0.478 44.581 45.100 -1.661 0.000 0.676 463 G HN 0.313 nan 8.290 nan 0.000 0.528 464 V N 1.114 120.673 119.914 -0.592 0.000 2.318 464 V HA 0.471 4.591 4.120 0.000 0.000 0.271 464 V C -0.140 175.758 176.094 -0.326 0.000 1.030 464 V CA -0.813 61.315 62.300 -0.287 0.000 0.844 464 V CB 0.463 32.198 31.823 -0.146 0.000 1.015 464 V HN 0.252 nan 8.190 nan 0.000 0.460 465 Y N 3.257 123.548 120.300 -0.015 0.000 2.404 465 Y HA 0.248 4.798 4.550 0.000 0.000 0.344 465 Y C 1.034 177.015 175.900 0.136 0.000 0.970 465 Y CA -0.150 58.009 58.100 0.099 0.000 1.180 465 Y CB 1.670 40.155 38.460 0.042 0.000 1.138 465 Y HN 0.387 nan 8.280 nan 0.000 0.510 466 V N 2.922 122.998 119.914 0.270 0.000 2.568 466 V HA -0.252 3.868 4.120 0.000 0.000 0.253 466 V C 1.813 177.981 176.094 0.124 0.000 1.072 466 V CA 2.763 65.143 62.300 0.134 0.000 1.084 466 V CB -0.432 31.414 31.823 0.038 0.000 0.676 466 V HN 1.019 nan 8.190 nan 0.000 0.469 467 T N -3.025 111.657 114.554 0.215 0.000 3.148 467 T HA 0.022 4.372 4.350 0.000 0.000 0.253 467 T C 0.967 175.731 174.700 0.106 0.000 1.134 467 T CA 0.398 62.584 62.100 0.142 0.000 1.051 467 T CB -0.395 68.587 68.868 0.189 0.000 0.959 467 T HN 0.669 nan 8.240 nan 0.000 0.525 468 K N 1.537 122.012 120.400 0.126 0.000 3.035 468 K HA -0.157 4.163 4.320 0.000 0.000 0.262 468 K C -0.576 176.040 176.600 0.026 0.000 1.024 468 K CA 0.981 57.313 56.287 0.075 0.000 0.748 468 K CB -1.667 30.862 32.500 0.048 0.000 1.247 468 K HN 0.756 nan 8.250 nan 0.000 0.482 469 D N -1.094 119.305 120.400 -0.001 0.000 2.636 469 D HA 0.134 4.774 4.640 0.000 0.000 0.270 469 D C -0.270 175.929 176.300 -0.168 0.000 1.430 469 D CA -0.300 53.648 54.000 -0.086 0.000 0.796 469 D CB 0.350 41.083 40.800 -0.112 0.000 1.117 469 D HN -0.014 nan 8.370 nan 0.000 0.480 470 V N 2.034 121.869 119.914 -0.132 0.000 2.357 470 V HA 0.501 4.621 4.120 0.000 0.000 0.284 470 V C -0.621 175.409 176.094 -0.107 0.000 1.018 470 V CA -0.575 61.611 62.300 -0.190 0.000 0.841 470 V CB 1.307 32.742 31.823 -0.646 0.000 0.991 470 V HN 0.260 nan 8.190 nan 0.000 0.437 471 D N 3.062 123.454 120.400 -0.013 0.000 2.614 471 D HA 0.299 4.939 4.640 0.000 0.000 0.264 471 D C 0.721 177.040 176.300 0.032 0.000 1.092 471 D CA -0.885 53.122 54.000 0.011 0.000 1.071 471 D CB 1.228 42.037 40.800 0.016 0.000 1.443 471 D HN 0.103 nan 8.370 nan 0.000 0.528 472 Q N 0.191 120.011 119.800 0.034 0.000 2.135 472 Q HA 0.014 4.354 4.340 0.000 0.000 0.204 472 Q C 1.998 178.014 176.000 0.027 0.000 0.981 472 Q CA 2.495 58.314 55.803 0.027 0.000 0.856 472 Q CB -0.977 27.782 28.738 0.035 0.000 0.902 472 Q HN 0.729 nan 8.270 nan 0.000 0.425 473 G N -0.660 108.166 108.800 0.044 0.000 2.476 473 G HA2 -0.330 3.630 3.960 0.000 0.000 0.218 473 G HA3 -0.330 3.630 3.960 0.000 0.000 0.218 473 G C 1.291 176.257 174.900 0.110 0.000 1.164 473 G CA 1.061 46.194 45.100 0.054 0.000 0.768 473 G HN 0.498 nan 8.290 nan 0.000 0.560 474 Y N 1.305 121.595 120.300 -0.018 0.000 2.145 474 Y HA -0.000 4.550 4.550 0.000 0.000 0.286 474 Y C 2.621 178.549 175.900 0.047 0.000 1.145 474 Y CA 1.159 59.271 58.100 0.020 0.000 1.148 474 Y CB -0.508 37.922 38.460 -0.051 0.000 0.981 474 Y HN 0.121 nan 8.280 nan 0.000 0.507 475 L N -0.159 120.956 121.223 -0.181 0.000 2.079 475 L HA -0.240 4.100 4.340 0.000 0.000 0.210 475 L C 2.020 178.770 176.870 -0.200 0.000 1.081 475 L CA 1.573 56.245 54.840 -0.280 0.000 0.752 475 L CB -0.619 41.339 42.059 -0.169 0.000 0.896 475 L HN 0.176 nan 8.230 nan 0.000 0.433 476 D N -0.305 120.042 120.400 -0.088 0.000 2.117 476 D HA -0.197 4.443 4.640 0.000 0.000 0.198 476 D C 1.870 178.136 176.300 -0.057 0.000 0.982 476 D CA 1.009 54.974 54.000 -0.060 0.000 0.828 476 D CB -0.229 40.566 40.800 -0.008 0.000 0.967 476 D HN 0.202 nan 8.370 nan 0.000 0.464 477 F N 1.632 121.494 119.950 -0.147 0.000 2.095 477 F HA -0.139 4.388 4.527 0.000 0.000 0.298 477 F C 2.036 177.734 175.800 -0.171 0.000 1.104 477 F CA 1.151 59.073 58.000 -0.130 0.000 1.232 477 F CB -0.462 38.492 39.000 -0.078 0.000 0.987 477 F HN -0.114 nan 8.300 nan 0.000 0.475 478 L N -0.030 120.904 121.223 -0.483 0.000 2.079 478 L HA -0.243 4.097 4.340 0.000 0.000 0.210 478 L C 2.188 178.820 176.870 -0.396 0.000 1.081 478 L CA 1.505 56.021 54.840 -0.540 0.000 0.752 478 L CB -0.892 40.866 42.059 -0.502 0.000 0.896 478 L HN 0.126 nan 8.230 nan 0.000 0.433 479 D N -0.503 119.722 120.400 -0.291 0.000 2.144 479 D HA -0.162 4.478 4.640 0.000 0.000 0.199 479 D C 2.267 178.448 176.300 -0.197 0.000 0.984 479 D CA 1.995 55.872 54.000 -0.205 0.000 0.834 479 D CB -0.195 40.516 40.800 -0.148 0.000 0.955 479 D HN 0.414 nan 8.370 nan 0.000 0.465 480 T N -0.676 113.743 114.554 -0.226 0.000 2.788 480 T HA -0.114 4.236 4.350 0.000 0.000 0.268 480 T C 2.343 176.912 174.700 -0.218 0.000 1.044 480 T CA 0.690 62.679 62.100 -0.186 0.000 1.139 480 T CB -0.589 68.191 68.868 -0.146 0.000 0.867 480 T HN 0.116 nan 8.240 nan 0.000 0.454 481 L N 0.172 121.188 121.223 -0.346 0.000 2.017 481 L HA -0.019 4.321 4.340 0.000 0.000 0.208 481 L C 3.377 180.143 176.870 -0.172 0.000 1.073 481 L CA 1.532 56.200 54.840 -0.286 0.000 0.745 481 L CB -0.474 41.354 42.059 -0.385 0.000 0.894 481 L HN 0.225 nan 8.230 nan 0.000 0.432 482 R N -0.089 120.309 120.500 -0.169 0.000 2.091 482 R HA -0.166 4.174 4.340 0.000 0.000 0.238 482 R C 2.102 178.352 176.300 -0.085 0.000 1.136 482 R CA 1.589 57.623 56.100 -0.110 0.000 0.959 482 R CB -0.442 29.792 30.300 -0.109 0.000 0.856 482 R HN 0.427 nan 8.270 nan 0.000 0.437 483 N N 0.769 119.414 118.700 -0.092 0.000 2.120 483 N HA -0.148 4.592 4.740 0.000 0.000 0.188 483 N C 1.216 176.694 175.510 -0.054 0.000 1.024 483 N CA 1.427 54.437 53.050 -0.067 0.000 0.852 483 N CB -0.411 38.036 38.487 -0.067 0.000 1.003 483 N HN 0.198 nan 8.380 nan 0.000 0.424 484 D N 0.829 121.192 120.400 -0.063 0.000 2.117 484 D HA -0.100 4.540 4.640 0.000 0.000 0.198 484 D C 1.222 177.501 176.300 -0.035 0.000 0.982 484 D CA 0.894 54.867 54.000 -0.045 0.000 0.828 484 D CB -0.405 40.366 40.800 -0.049 0.000 0.967 484 D HN 0.204 nan 8.370 nan 0.000 0.464 485 D N 0.598 120.973 120.400 -0.041 0.000 2.123 485 D HA -0.099 4.541 4.640 0.000 0.000 0.196 485 D C 2.020 178.307 176.300 -0.021 0.000 0.992 485 D CA 1.311 55.295 54.000 -0.027 0.000 0.833 485 D CB -0.327 40.456 40.800 -0.028 0.000 0.954 485 D HN 0.147 nan 8.370 nan 0.000 0.455 486 A N 0.998 123.801 122.820 -0.028 0.000 1.858 486 A HA -0.221 4.099 4.320 0.000 0.000 0.216 486 A C 2.067 179.640 177.584 -0.019 0.000 1.190 486 A CA 1.570 53.593 52.037 -0.023 0.000 0.617 486 A CB -0.447 18.536 19.000 -0.028 0.000 0.827 486 A HN 0.122 nan 8.150 nan 0.000 0.443 487 K N -0.472 119.916 120.400 -0.020 0.000 2.103 487 K HA -0.139 4.181 4.320 0.000 0.000 0.207 487 K C 2.299 178.893 176.600 -0.010 0.000 1.048 487 K CA 1.189 57.467 56.287 -0.015 0.000 0.930 487 K CB -0.321 32.170 32.500 -0.015 0.000 0.716 487 K HN 0.476 nan 8.250 nan 0.000 0.444 488 A N 0.755 123.569 122.820 -0.010 0.000 1.855 488 A HA -0.116 4.204 4.320 0.000 0.000 0.215 488 A C 2.323 179.904 177.584 -0.005 0.000 1.191 488 A CA 1.426 53.460 52.037 -0.005 0.000 0.613 488 A CB -0.607 18.391 19.000 -0.002 0.000 0.829 488 A HN 0.080 nan 8.150 nan 0.000 0.442 489 V N 0.305 120.215 119.914 -0.007 0.000 2.427 489 V HA -0.242 3.878 4.120 0.000 0.000 0.248 489 V C 2.686 178.774 176.094 -0.010 0.000 1.051 489 V CA 1.868 64.163 62.300 -0.009 0.000 1.048 489 V CB -0.806 31.010 31.823 -0.011 0.000 0.666 489 V HN 0.536 nan 8.190 nan 0.000 0.456 490 Q N 0.140 119.933 119.800 -0.010 0.000 2.050 490 Q HA -0.249 4.091 4.340 0.000 0.000 0.202 490 Q C 2.400 178.396 176.000 -0.006 0.000 0.980 490 Q CA 1.812 57.609 55.803 -0.010 0.000 0.840 490 Q CB -0.462 28.270 28.738 -0.010 0.000 0.898 490 Q HN 0.536 nan 8.270 nan 0.000 0.424 491 R N 0.785 121.282 120.500 -0.005 0.000 2.127 491 R HA -0.107 4.233 4.340 0.000 0.000 0.238 491 R C 0.907 177.206 176.300 -0.001 0.000 1.134 491 R CA 1.116 57.215 56.100 -0.002 0.000 0.975 491 R CB 0.101 30.400 30.300 -0.001 0.000 0.865 491 R HN 0.290 nan 8.270 nan 0.000 0.447 492 Q N 0.000 119.799 119.800 -0.002 0.000 2.315 492 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 492 Q CA 0.000 55.802 55.803 -0.002 0.000 1.022 492 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 492 Q HN 0.000 nan 8.270 nan 0.000 0.481