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 1ecg_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 0.000 174.959 174.990 -0.051 0.000 1.270 1 C CA 0.000 59.030 59.018 0.020 0.000 1.963 1 C CB 0.000 27.736 27.740 -0.007 0.000 2.134 2 G N 0.486 109.143 108.800 -0.238 0.000 2.571 2 G HA2 0.846 4.806 3.960 0.000 0.000 0.304 2 G HA3 0.846 4.806 3.960 0.000 0.000 0.304 2 G C -1.225 173.570 174.900 -0.174 0.000 1.314 2 G CA -0.506 44.497 45.100 -0.161 0.000 0.975 2 G HN 1.174 nan 8.290 nan 0.000 0.485 3 I N -1.073 119.468 120.570 -0.049 0.000 2.892 3 I HA 0.910 5.080 4.170 0.000 0.000 0.306 3 I C -1.220 174.899 176.117 0.003 0.000 1.078 3 I CA -1.328 59.982 61.300 0.017 0.000 1.032 3 I CB 2.453 40.503 38.000 0.083 0.000 1.229 3 I HN 0.311 nan 8.210 nan 0.000 0.435 4 V N 2.280 122.201 119.914 0.012 0.000 3.012 4 V HA 0.888 5.008 4.120 0.000 0.000 0.307 4 V C -0.084 176.013 176.094 0.005 0.000 1.166 4 V CA -0.315 61.978 62.300 -0.011 0.000 0.974 4 V CB 2.100 33.900 31.823 -0.038 0.000 1.040 4 V HN 1.127 nan 8.190 nan 0.000 0.428 5 G N 3.017 111.814 108.800 -0.005 0.000 2.731 5 G HA2 0.782 4.742 3.960 0.000 0.000 0.298 5 G HA3 0.782 4.742 3.960 0.000 0.000 0.298 5 G C -1.644 173.258 174.900 0.003 0.000 1.424 5 G CA -0.408 44.707 45.100 0.025 0.000 1.029 5 G HN 0.575 nan 8.290 nan 0.000 0.518 6 I N 1.448 122.033 120.570 0.025 0.000 2.478 6 I HA 0.509 4.679 4.170 0.000 0.000 0.287 6 I C 0.133 176.313 176.117 0.105 0.000 1.042 6 I CA -1.025 60.294 61.300 0.031 0.000 1.067 6 I CB 2.383 40.380 38.000 -0.005 0.000 1.233 6 I HN 0.595 nan 8.210 nan 0.000 0.431 7 A N 5.283 128.198 122.820 0.158 0.000 2.540 7 A HA 0.771 5.091 4.320 0.000 0.000 0.340 7 A C 0.250 177.934 177.584 0.167 0.000 1.424 7 A CA -0.312 51.825 52.037 0.167 0.000 0.940 7 A CB 0.177 19.299 19.000 0.203 0.000 1.149 7 A HN 0.841 nan 8.150 nan 0.000 0.505 8 G N -0.403 108.474 108.800 0.128 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 0.435 175.370 174.900 0.058 0.000 1.344 8 G CA 0.199 45.362 45.100 0.105 0.000 1.050 8 G HN 1.334 nan 8.290 nan 0.000 0.532 9 V N -2.970 116.962 119.914 0.031 0.000 3.276 9 V HA 0.557 4.678 4.120 0.000 0.000 0.319 9 V C 0.241 176.342 176.094 0.012 0.000 1.427 9 V CA 0.101 62.408 62.300 0.011 0.000 1.102 9 V CB -1.342 30.472 31.823 -0.015 0.000 1.020 9 V HN 0.727 nan 8.190 nan 0.000 0.456 10 M N -2.734 116.881 119.600 0.025 0.000 2.732 10 M HA 0.707 5.187 4.480 0.000 0.000 0.272 10 M C -3.250 173.071 176.300 0.034 0.000 1.203 10 M CA -1.683 53.630 55.300 0.022 0.000 0.841 10 M CB 1.162 33.770 32.600 0.014 0.000 1.685 10 M HN -0.273 nan 8.290 nan 0.000 0.492 11 P HA -0.048 nan 4.420 nan 0.000 0.261 11 P C 0.709 178.032 177.300 0.038 0.000 1.165 11 P CA 0.032 63.150 63.100 0.030 0.000 0.759 11 P CB 0.373 32.085 31.700 0.019 0.000 0.772 12 V N 0.766 120.705 119.914 0.041 0.000 3.661 12 V HA 0.000 4.120 4.120 0.000 0.000 0.271 12 V C 1.728 177.836 176.094 0.022 0.000 1.315 12 V CA 0.730 63.057 62.300 0.045 0.000 1.072 12 V CB -0.856 30.999 31.823 0.053 0.000 0.830 12 V HN 0.411 nan 8.190 nan 0.000 0.443 13 N N 2.389 121.094 118.700 0.009 0.000 2.060 13 N HA -0.345 4.396 4.740 0.000 0.000 0.195 13 N C 1.778 177.272 175.510 -0.028 0.000 1.028 13 N CA 2.570 55.609 53.050 -0.019 0.000 0.861 13 N CB -0.724 37.754 38.487 -0.016 0.000 1.029 13 N HN 0.627 nan 8.380 nan 0.000 0.428 14 Q N 0.394 120.180 119.800 -0.024 0.000 2.079 14 Q HA 0.095 4.435 4.340 0.000 0.000 0.200 14 Q C 1.984 178.018 176.000 0.056 0.000 0.974 14 Q CA 1.654 57.439 55.803 -0.029 0.000 0.840 14 Q CB -0.362 28.352 28.738 -0.040 0.000 0.898 14 Q HN 0.425 nan 8.270 nan 0.000 0.430 15 S N -0.074 115.657 115.700 0.052 0.000 2.368 15 S HA -0.083 4.387 4.470 0.000 0.000 0.225 15 S C 1.793 176.418 174.600 0.040 0.000 1.030 15 S CA 1.288 59.528 58.200 0.067 0.000 0.999 15 S CB -0.290 62.962 63.200 0.087 0.000 0.844 15 S HN 0.417 nan 8.310 nan 0.000 0.459 16 I N 0.020 120.598 120.570 0.013 0.000 2.252 16 I HA -0.193 3.977 4.170 0.000 0.000 0.245 16 I C 2.250 178.349 176.117 -0.029 0.000 1.102 16 I CA 1.360 62.643 61.300 -0.028 0.000 1.385 16 I CB -0.417 37.551 38.000 -0.053 0.000 1.064 16 I HN 0.294 nan 8.210 nan 0.000 0.414 17 Y N 2.176 122.371 120.300 -0.174 0.000 2.128 17 Y HA -0.338 4.212 4.550 0.000 0.000 0.284 17 Y C 2.163 178.025 175.900 -0.064 0.000 1.154 17 Y CA 1.965 59.955 58.100 -0.184 0.000 1.149 17 Y CB -0.307 38.052 38.460 -0.167 0.000 0.976 17 Y HN 0.195 nan 8.280 nan 0.000 0.505 18 D N 0.094 120.633 120.400 0.232 0.000 2.117 18 D HA -0.160 4.480 4.640 0.000 0.000 0.197 18 D C 2.320 178.638 176.300 0.030 0.000 0.987 18 D CA 1.538 55.627 54.000 0.148 0.000 0.829 18 D CB -0.691 40.198 40.800 0.149 0.000 0.961 18 D HN 0.485 nan 8.370 nan 0.000 0.460 19 A N 0.671 123.495 122.820 0.006 0.000 1.902 19 A HA -0.118 4.202 4.320 0.000 0.000 0.217 19 A C 2.364 179.921 177.584 -0.045 0.000 1.181 19 A CA 0.913 52.937 52.037 -0.023 0.000 0.623 19 A CB -0.760 18.209 19.000 -0.052 0.000 0.818 19 A HN 0.218 nan 8.150 nan 0.000 0.443 20 L N 0.038 121.212 121.223 -0.081 0.000 2.141 20 L HA -0.140 4.200 4.340 0.000 0.000 0.209 20 L C 2.929 179.728 176.870 -0.119 0.000 1.094 20 L CA 1.663 56.439 54.840 -0.106 0.000 0.763 20 L CB -0.875 41.113 42.059 -0.118 0.000 0.908 20 L HN 0.673 nan 8.230 nan 0.000 0.437 21 T N -2.553 111.915 114.554 -0.145 0.000 2.915 21 T HA -0.106 4.244 4.350 0.000 0.000 0.269 21 T C 1.569 176.252 174.700 -0.029 0.000 1.071 21 T CA 1.191 63.221 62.100 -0.116 0.000 1.132 21 T CB -0.605 68.192 68.868 -0.118 0.000 0.878 21 T HN 0.291 nan 8.240 nan 0.000 0.479 22 V N -1.428 118.487 119.914 0.001 0.000 3.541 22 V HA 0.442 4.562 4.120 0.000 0.000 0.267 22 V C 1.723 177.896 176.094 0.131 0.000 1.213 22 V CA 0.339 62.673 62.300 0.056 0.000 1.149 22 V CB -0.888 30.964 31.823 0.049 0.000 0.822 22 V HN 0.467 nan 8.190 nan 0.000 0.462 23 L N -0.168 121.070 121.223 0.025 0.000 2.769 23 L HA 0.294 4.634 4.340 0.000 0.000 0.240 23 L C 2.115 178.806 176.870 -0.298 0.000 1.163 23 L CA 0.105 54.877 54.840 -0.112 0.000 0.962 23 L CB 0.201 42.188 42.059 -0.121 0.000 1.258 23 L HN 0.324 nan 8.230 nan 0.000 0.513 24 Q N 0.873 120.608 119.800 -0.109 0.000 2.181 24 Q HA -0.232 4.108 4.340 0.000 0.000 0.205 24 Q C 2.223 178.124 176.000 -0.166 0.000 0.980 24 Q CA 1.812 57.545 55.803 -0.117 0.000 0.862 24 Q CB -0.083 28.626 28.738 -0.049 0.000 0.905 24 Q HN 0.638 nan 8.270 nan 0.000 0.429 25 H N -1.254 117.743 119.070 -0.123 0.000 2.543 25 H HA 0.017 4.573 4.556 0.000 0.000 0.286 25 H C 0.980 176.149 175.328 -0.264 0.000 1.037 25 H CA 1.081 57.029 56.048 -0.167 0.000 1.250 25 H CB -0.111 29.541 29.762 -0.182 0.000 1.373 25 H HN 0.310 nan 8.280 nan 0.000 0.580 26 R N 0.628 120.676 120.500 -0.754 0.000 2.297 26 R HA 0.229 4.569 4.340 0.000 0.000 0.197 26 R C 0.247 176.557 176.300 0.016 0.000 0.943 26 R CA 0.576 56.383 56.100 -0.488 0.000 1.038 26 R CB 0.769 30.853 30.300 -0.359 0.000 0.957 26 R HN 0.408 nan 8.270 nan 0.000 0.484 27 G N 0.425 109.196 108.800 -0.048 0.000 2.299 27 G HA2 0.093 4.053 3.960 0.000 0.000 0.312 27 G HA3 0.093 4.053 3.960 0.000 0.000 0.312 27 G C -0.793 174.050 174.900 -0.096 0.000 1.654 27 G CA -0.675 44.431 45.100 0.009 0.000 0.912 27 G HN 0.010 nan 8.290 nan 0.000 0.667 28 Q N 0.787 120.501 119.800 -0.143 0.000 2.171 28 Q HA 0.202 4.542 4.340 0.000 0.000 0.218 28 Q C 1.259 177.195 176.000 -0.107 0.000 0.822 28 Q CA 0.076 55.809 55.803 -0.116 0.000 0.987 28 Q CB 1.258 29.928 28.738 -0.113 0.000 1.144 28 Q HN 0.644 nan 8.270 nan 0.000 0.494 29 D N 0.435 120.769 120.400 -0.110 0.000 2.213 29 D HA 0.123 4.763 4.640 0.000 0.000 0.205 29 D C 0.087 176.356 176.300 -0.051 0.000 0.961 29 D CA 0.772 54.723 54.000 -0.082 0.000 0.853 29 D CB 0.467 41.221 40.800 -0.077 0.000 0.967 29 D HN 0.226 nan 8.370 nan 0.000 0.496 30 A N -1.004 121.797 122.820 -0.032 0.000 2.601 30 A HA 0.787 5.107 4.320 0.000 0.000 0.291 30 A C -1.623 175.963 177.584 0.004 0.000 1.075 30 A CA -0.260 51.761 52.037 -0.027 0.000 0.671 30 A CB 1.289 20.285 19.000 -0.006 0.000 1.277 30 A HN 0.284 nan 8.150 nan 0.000 0.417 31 A N -0.650 122.169 122.820 -0.002 0.000 2.572 31 A HA 0.967 5.287 4.320 0.000 0.000 0.295 31 A C -0.252 177.430 177.584 0.163 0.000 1.072 31 A CA -0.118 51.982 52.037 0.105 0.000 0.691 31 A CB 1.677 20.770 19.000 0.155 0.000 1.291 31 A HN 2.487 nan 8.150 nan 0.000 0.404 32 G N -0.067 108.925 108.800 0.320 0.000 2.746 32 G HA2 0.612 4.572 3.960 0.000 0.000 0.297 32 G HA3 0.612 4.572 3.960 0.000 0.000 0.297 32 G C -1.528 173.543 174.900 0.284 0.000 1.426 32 G CA -0.374 44.914 45.100 0.314 0.000 0.989 32 G HN 0.709 nan 8.290 nan 0.000 0.520 33 I N 1.687 122.413 120.570 0.260 0.000 2.533 33 I HA 0.542 4.712 4.170 0.000 0.000 0.290 33 I C -0.988 175.166 176.117 0.062 0.000 1.056 33 I CA -0.857 60.468 61.300 0.041 0.000 1.057 33 I CB 2.484 40.352 38.000 -0.220 0.000 1.240 33 I HN 0.430 nan 8.210 nan 0.000 0.423 34 I N 5.522 126.103 120.570 0.018 0.000 2.534 34 I HA 0.525 4.695 4.170 0.000 0.000 0.288 34 I C -0.501 175.643 176.117 0.044 0.000 1.077 34 I CA 0.104 61.404 61.300 0.001 0.000 1.051 34 I CB 1.981 39.905 38.000 -0.127 0.000 1.234 34 I HN 0.727 nan 8.210 nan 0.000 0.425 35 T N 4.671 119.287 114.554 0.103 0.000 2.930 35 T HA 0.632 4.982 4.350 0.000 0.000 0.290 35 T C -0.416 174.422 174.700 0.230 0.000 1.052 35 T CA -0.772 61.412 62.100 0.140 0.000 1.017 35 T CB 1.819 70.741 68.868 0.090 0.000 1.137 35 T HN 0.390 nan 8.240 nan 0.000 0.511 36 I N 2.707 123.391 120.570 0.191 0.000 2.336 36 I HA 0.320 4.490 4.170 0.000 0.000 0.292 36 I C -0.017 176.133 176.117 0.054 0.000 0.991 36 I CA -0.778 60.594 61.300 0.119 0.000 1.227 36 I CB 1.296 39.338 38.000 0.070 0.000 1.366 36 I HN 0.834 nan 8.210 nan 0.000 0.466 37 D N 5.367 125.780 120.400 0.022 0.000 2.451 37 D HA 0.236 4.876 4.640 0.000 0.000 0.259 37 D C 1.078 177.377 176.300 -0.000 0.000 1.201 37 D CA -0.590 53.420 54.000 0.018 0.000 1.028 37 D CB 0.819 41.632 40.800 0.022 0.000 1.095 37 D HN 0.483 nan 8.370 nan 0.000 0.539 38 A N -0.223 122.600 122.820 0.005 0.000 2.131 38 A HA -0.187 4.133 4.320 0.000 0.000 0.220 38 A C 1.401 178.979 177.584 -0.010 0.000 1.158 38 A CA 1.018 53.055 52.037 -0.000 0.000 0.665 38 A CB -0.726 18.277 19.000 0.004 0.000 0.795 38 A HN 0.560 nan 8.150 nan 0.000 0.460 39 N N 0.187 118.879 118.700 -0.015 0.000 2.270 39 N HA -0.009 4.731 4.740 0.000 0.000 0.198 39 N C -0.470 175.013 175.510 -0.045 0.000 1.117 39 N CA 0.123 53.159 53.050 -0.022 0.000 0.845 39 N CB 0.048 38.526 38.487 -0.015 0.000 0.980 39 N HN 0.365 nan 8.380 nan 0.000 0.486 40 N N 0.330 118.993 118.700 -0.062 0.000 2.756 40 N HA -0.154 4.586 4.740 0.000 0.000 0.248 40 N C -1.166 174.235 175.510 -0.182 0.000 1.062 40 N CA 0.533 53.515 53.050 -0.112 0.000 0.696 40 N CB -1.769 36.667 38.487 -0.084 0.000 0.946 40 N HN 0.242 nan 8.380 nan 0.000 0.548 41 C N 0.394 119.591 119.300 -0.171 0.000 2.712 41 C HA 0.611 5.071 4.460 0.000 0.000 0.308 41 C C 0.322 175.222 174.990 -0.150 0.000 1.201 41 C CA -0.861 58.047 59.018 -0.182 0.000 1.554 41 C CB 1.003 28.708 27.740 -0.057 0.000 2.117 41 C HN 0.248 nan 8.230 nan 0.000 0.480 42 F N 2.815 122.711 119.950 -0.089 0.000 2.384 42 F HA 0.543 5.070 4.527 0.000 0.000 0.338 42 F C 0.987 176.730 175.800 -0.094 0.000 1.103 42 F CA -0.131 57.786 58.000 -0.139 0.000 1.157 42 F CB 0.642 39.427 39.000 -0.359 0.000 1.167 42 F HN 0.240 nan 8.300 nan 0.000 0.529 43 R N 3.383 123.985 120.500 0.169 0.000 2.480 43 R HA 0.637 4.978 4.340 0.000 0.000 0.306 43 R C -1.554 174.809 176.300 0.105 0.000 0.958 43 R CA -0.966 55.205 56.100 0.118 0.000 0.861 43 R CB 2.198 32.561 30.300 0.105 0.000 1.171 43 R HN 0.632 nan 8.270 nan 0.000 0.445 44 L N 2.004 123.294 121.223 0.113 0.000 2.388 44 L HA 0.676 5.016 4.340 0.000 0.000 0.264 44 L C -1.236 175.725 176.870 0.153 0.000 0.998 44 L CA -0.617 54.294 54.840 0.119 0.000 0.817 44 L CB 1.906 44.037 42.059 0.121 0.000 1.338 44 L HN 0.512 nan 8.230 nan 0.000 0.414 45 R N 3.271 123.879 120.500 0.180 0.000 2.510 45 R HA 0.649 4.989 4.340 0.000 0.000 0.287 45 R C -2.020 174.375 176.300 0.158 0.000 1.084 45 R CA -0.610 55.582 56.100 0.153 0.000 0.934 45 R CB 1.057 31.504 30.300 0.245 0.000 1.201 45 R HN 0.744 nan 8.270 nan 0.000 0.431 46 K N 2.501 122.894 120.400 -0.012 0.000 2.542 46 K HA 0.933 5.253 4.320 0.000 0.000 0.259 46 K C -1.703 174.813 176.600 -0.140 0.000 0.932 46 K CA -0.891 55.362 56.287 -0.056 0.000 0.820 46 K CB 2.172 34.661 32.500 -0.018 0.000 1.345 46 K HN 0.594 nan 8.250 nan 0.000 0.432 47 A N 1.944 124.656 122.820 -0.178 0.000 2.544 47 A HA 0.420 4.740 4.320 0.000 0.000 0.291 47 A C -1.708 175.794 177.584 -0.136 0.000 1.055 47 A CA -1.089 50.855 52.037 -0.155 0.000 0.651 47 A CB 0.880 19.755 19.000 -0.208 0.000 1.296 47 A HN 0.812 nan 8.150 nan 0.000 0.431 48 N N -0.245 118.398 118.700 -0.096 0.000 2.453 48 N HA 0.522 5.262 4.740 0.000 0.000 0.253 48 N C 0.342 175.795 175.510 -0.095 0.000 1.252 48 N CA 1.791 54.796 53.050 -0.075 0.000 0.917 48 N CB 0.804 39.261 38.487 -0.050 0.000 1.117 48 N HN 1.815 nan 8.380 nan 0.000 0.442 49 G N -0.474 108.277 108.800 -0.081 0.000 2.479 49 G HA2 -0.119 3.841 3.960 0.000 0.000 0.686 49 G HA3 -0.119 3.841 3.960 0.000 0.000 0.686 49 G C -0.910 173.942 174.900 -0.081 0.000 1.295 49 G CA -1.032 44.021 45.100 -0.078 0.000 0.922 49 G HN 0.439 nan 8.290 nan 0.000 0.582 50 L N 0.248 121.434 121.223 -0.062 0.000 2.473 50 L HA 0.192 4.532 4.340 0.000 0.000 0.268 50 L C 2.329 179.166 176.870 -0.055 0.000 1.215 50 L CA -0.516 54.293 54.840 -0.052 0.000 0.823 50 L CB 0.625 42.665 42.059 -0.031 0.000 1.099 50 L HN 0.503 nan 8.230 nan 0.000 0.483 51 V N 0.727 120.619 119.914 -0.037 0.000 2.282 51 V HA -0.301 3.819 4.120 0.000 0.000 0.249 51 V C 2.382 178.511 176.094 0.059 0.000 1.057 51 V CA 2.295 64.612 62.300 0.027 0.000 1.032 51 V CB -0.663 31.092 31.823 -0.114 0.000 0.645 51 V HN 1.071 nan 8.190 nan 0.000 0.447 52 S N -0.565 115.138 115.700 0.005 0.000 2.469 52 S HA -0.203 4.267 4.470 0.000 0.000 0.238 52 S C 1.382 176.077 174.600 0.158 0.000 0.998 52 S CA 1.627 59.916 58.200 0.150 0.000 0.957 52 S CB -0.340 62.931 63.200 0.118 0.000 0.764 52 S HN 0.636 nan 8.310 nan 0.000 0.514 53 D N 0.494 120.930 120.400 0.059 0.000 2.380 53 D HA 0.218 4.858 4.640 0.000 0.000 0.212 53 D C 1.895 178.167 176.300 -0.047 0.000 1.021 53 D CA 0.302 54.318 54.000 0.026 0.000 0.884 53 D CB 0.123 40.921 40.800 -0.003 0.000 1.001 53 D HN 0.328 nan 8.370 nan 0.000 0.506 54 V N 0.407 120.205 119.914 -0.193 0.000 2.488 54 V HA -0.059 4.061 4.120 0.000 0.000 0.246 54 V C 0.400 176.111 176.094 -0.640 0.000 1.046 54 V CA 0.950 62.937 62.300 -0.523 0.000 1.053 54 V CB -0.263 31.037 31.823 -0.871 0.000 0.679 54 V HN 0.013 nan 8.190 nan 0.000 0.458 55 F N 0.929 120.971 119.950 0.153 0.000 2.313 55 F HA 0.470 4.997 4.527 0.000 0.000 0.369 55 F C 0.532 176.532 175.800 0.334 0.000 1.109 55 F CA -0.866 57.297 58.000 0.271 0.000 1.132 55 F CB 0.043 39.259 39.000 0.360 0.000 1.291 55 F HN 0.081 nan 8.300 nan 0.000 0.496 56 E N 0.848 121.406 120.200 0.597 0.000 2.280 56 E HA 0.512 4.862 4.350 0.000 0.000 0.261 56 E C 0.989 177.664 176.600 0.125 0.000 1.088 56 E CA -0.370 56.190 56.400 0.267 0.000 0.915 56 E CB 1.212 30.994 29.700 0.136 0.000 1.141 56 E HN 0.605 nan 8.360 nan 0.000 0.433 57 A N 1.780 124.615 122.820 0.027 0.000 1.917 57 A HA -0.292 4.028 4.320 0.000 0.000 0.219 57 A C 2.021 179.582 177.584 -0.038 0.000 1.182 57 A CA 2.285 54.317 52.037 -0.009 0.000 0.633 57 A CB -0.742 18.246 19.000 -0.020 0.000 0.819 57 A HN 0.740 nan 8.150 nan 0.000 0.448 58 R N -1.450 118.971 120.500 -0.133 0.000 2.096 58 R HA -0.166 4.174 4.340 0.000 0.000 0.235 58 R C 1.873 178.098 176.300 -0.124 0.000 1.127 58 R CA 1.674 57.675 56.100 -0.165 0.000 0.968 58 R CB -0.887 29.273 30.300 -0.233 0.000 0.861 58 R HN 0.640 nan 8.270 nan 0.000 0.440 59 H N 0.575 119.703 119.070 0.097 0.000 2.389 59 H HA 0.042 4.598 4.556 0.000 0.000 0.299 59 H C 2.242 177.650 175.328 0.133 0.000 1.081 59 H CA 1.451 57.583 56.048 0.139 0.000 1.345 59 H CB -0.142 29.748 29.762 0.214 0.000 1.393 59 H HN 0.186 nan 8.280 nan 0.000 0.520 60 M N 0.912 120.638 119.600 0.209 0.000 2.117 60 M HA -0.153 4.327 4.480 0.000 0.000 0.262 60 M C 2.302 178.637 176.300 0.059 0.000 1.065 60 M CA 1.168 56.530 55.300 0.104 0.000 1.114 60 M CB -0.888 31.728 32.600 0.027 0.000 1.361 60 M HN 0.274 nan 8.290 nan 0.000 0.408 61 Q N 1.173 120.998 119.800 0.043 0.000 2.124 61 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 61 Q C 1.882 177.909 176.000 0.045 0.000 0.977 61 Q CA 1.558 57.378 55.803 0.028 0.000 0.850 61 Q CB -0.177 28.568 28.738 0.012 0.000 0.901 61 Q HN 0.529 nan 8.270 nan 0.000 0.429 62 R N -0.176 120.367 120.500 0.071 0.000 2.148 62 R HA 0.078 4.418 4.340 0.000 0.000 0.223 62 R C 1.003 177.355 176.300 0.087 0.000 1.088 62 R CA 0.255 56.405 56.100 0.083 0.000 0.985 62 R CB -0.106 30.263 30.300 0.115 0.000 0.880 62 R HN 0.181 nan 8.270 nan 0.000 0.451 63 L N 2.919 124.198 121.223 0.092 0.000 2.391 63 L HA 0.076 4.416 4.340 0.000 0.000 0.249 63 L C -0.105 176.798 176.870 0.055 0.000 1.308 63 L CA 0.057 54.945 54.840 0.079 0.000 1.209 63 L CB -0.250 41.853 42.059 0.074 0.000 1.401 63 L HN 0.075 nan 8.230 nan 0.000 0.416 64 Q N 1.147 120.980 119.800 0.055 0.000 2.230 64 Q HA 0.758 5.098 4.340 0.000 0.000 0.248 64 Q C 0.418 176.445 176.000 0.046 0.000 0.915 64 Q CA -0.291 55.537 55.803 0.042 0.000 0.900 64 Q CB 2.121 30.881 28.738 0.036 0.000 1.229 64 Q HN 0.561 nan 8.270 nan 0.000 0.439 65 G N 1.141 109.964 108.800 0.039 0.000 2.340 65 G HA2 -0.117 3.844 3.960 0.000 0.000 0.527 65 G HA3 -0.117 3.844 3.960 0.000 0.000 0.527 65 G C -0.757 174.170 174.900 0.045 0.000 1.381 65 G CA -0.889 44.236 45.100 0.042 0.000 1.001 65 G HN 0.556 nan 8.290 nan 0.000 0.626 66 N N -0.399 118.329 118.700 0.047 0.000 2.230 66 N HA 0.241 4.981 4.740 0.000 0.000 0.202 66 N C 0.428 175.981 175.510 0.070 0.000 1.119 66 N CA 0.435 53.516 53.050 0.053 0.000 0.851 66 N CB 0.633 39.146 38.487 0.043 0.000 0.990 66 N HN 0.646 nan 8.380 nan 0.000 0.497 67 M N -0.166 119.481 119.600 0.079 0.000 2.378 67 M HA 0.594 5.075 4.480 0.000 0.000 0.289 67 M C -1.423 174.940 176.300 0.105 0.000 1.136 67 M CA -0.518 54.842 55.300 0.099 0.000 0.917 67 M CB 2.223 34.889 32.600 0.111 0.000 1.669 67 M HN 0.083 nan 8.290 nan 0.000 0.461 68 G N 3.995 112.853 108.800 0.096 0.000 2.547 68 G HA2 0.616 4.576 3.960 0.000 0.000 0.291 68 G HA3 0.616 4.576 3.960 0.000 0.000 0.291 68 G C -2.072 172.865 174.900 0.062 0.000 1.471 68 G CA -0.793 44.358 45.100 0.084 0.000 0.798 68 G HN 1.081 nan 8.290 nan 0.000 0.504 69 I N -1.758 118.839 120.570 0.046 0.000 3.042 69 I HA 1.007 5.177 4.170 0.000 0.000 0.310 69 I C 0.052 176.181 176.117 0.020 0.000 1.117 69 I CA -1.267 60.054 61.300 0.036 0.000 1.003 69 I CB 2.464 40.496 38.000 0.054 0.000 1.228 69 I HN 0.964 nan 8.210 nan 0.000 0.443 70 G N 1.618 110.435 108.800 0.028 0.000 2.642 70 G HA2 0.568 4.528 3.960 0.000 0.000 0.293 70 G HA3 0.568 4.528 3.960 0.000 0.000 0.293 70 G C -2.146 172.821 174.900 0.112 0.000 1.341 70 G CA -0.444 44.680 45.100 0.041 0.000 0.916 70 G HN 0.940 nan 8.290 nan 0.000 0.474 71 H N -0.777 118.295 119.070 0.004 0.000 3.038 71 H HA 0.536 5.092 4.556 0.000 0.000 0.362 71 H C -1.500 173.836 175.328 0.013 0.000 1.167 71 H CA -0.488 55.560 56.048 -0.001 0.000 1.197 71 H CB 2.327 32.076 29.762 -0.022 0.000 1.840 71 H HN 0.724 nan 8.280 nan 0.000 0.540 72 V N 2.828 122.480 119.914 -0.437 0.000 2.531 72 V HA 0.582 4.702 4.120 0.000 0.000 0.301 72 V C -0.124 175.734 176.094 -0.394 0.000 1.034 72 V CA -1.050 61.106 62.300 -0.239 0.000 0.865 72 V CB 1.673 33.395 31.823 -0.168 0.000 0.995 72 V HN 0.717 nan 8.190 nan 0.000 0.424 73 R N 3.363 123.818 120.500 -0.075 0.000 2.368 73 R HA 0.495 4.835 4.340 0.000 0.000 0.302 73 R C -1.769 174.588 176.300 0.095 0.000 1.002 73 R CA -0.659 55.492 56.100 0.085 0.000 0.929 73 R CB 1.229 31.656 30.300 0.213 0.000 1.073 73 R HN 0.884 nan 8.270 nan 0.000 0.464 74 Y N 6.478 126.807 120.300 0.048 0.000 2.345 74 Y HA 0.395 4.946 4.550 0.000 0.000 0.331 74 Y C -2.253 173.691 175.900 0.073 0.000 0.959 74 Y CA -2.967 55.178 58.100 0.074 0.000 1.204 74 Y CB 1.314 39.861 38.460 0.145 0.000 1.135 74 Y HN 0.610 nan 8.280 nan 0.000 0.477 75 P HA 0.056 nan 4.420 nan 0.000 0.263 75 P C -0.624 176.827 177.300 0.252 0.000 1.175 75 P CA 0.687 63.887 63.100 0.167 0.000 0.761 75 P CB 0.570 32.303 31.700 0.055 0.000 0.794 76 T N -0.992 113.652 114.554 0.151 0.000 2.778 76 T HA 0.718 5.068 4.350 0.000 0.000 0.293 76 T C -0.632 174.094 174.700 0.044 0.000 1.144 76 T CA -1.105 61.052 62.100 0.096 0.000 1.010 76 T CB 0.987 69.897 68.868 0.070 0.000 1.325 76 T HN 0.269 nan 8.240 nan 0.000 0.515 77 A N -0.269 122.552 122.820 0.002 0.000 2.492 77 A HA 0.583 4.903 4.320 0.000 0.000 0.254 77 A C 1.579 179.155 177.584 -0.013 0.000 1.091 77 A CA 0.604 52.619 52.037 -0.037 0.000 0.768 77 A CB -1.345 17.599 19.000 -0.093 0.000 1.028 77 A HN 2.385 nan 8.150 nan 0.000 0.498 78 G N 1.628 110.418 108.800 -0.018 0.000 2.308 78 G HA2 -0.201 3.759 3.960 0.000 0.000 0.221 78 G HA3 -0.201 3.759 3.960 0.000 0.000 0.221 78 G C 0.453 175.378 174.900 0.043 0.000 1.032 78 G CA 0.327 45.433 45.100 0.009 0.000 0.623 78 G HN 1.446 nan 8.290 nan 0.000 0.506 79 S N 1.675 117.414 115.700 0.065 0.000 2.150 79 S HA 0.632 5.102 4.470 0.000 0.000 0.171 79 S C 0.361 175.006 174.600 0.075 0.000 1.620 79 S CA 0.265 58.522 58.200 0.094 0.000 1.190 79 S CB 1.009 64.292 63.200 0.139 0.000 1.102 79 S HN 1.360 nan 8.310 nan 0.000 0.464 80 S N 1.087 116.817 115.700 0.049 0.000 2.608 80 S HA 0.249 4.719 4.470 0.000 0.000 0.261 80 S C 1.473 176.094 174.600 0.034 0.000 1.314 80 S CA -0.316 57.903 58.200 0.033 0.000 0.992 80 S CB 1.015 64.223 63.200 0.014 0.000 0.935 80 S HN 0.368 nan 8.310 nan 0.000 0.564 81 S N 0.650 116.360 115.700 0.017 0.000 2.442 81 S HA -0.071 4.399 4.470 0.000 0.000 0.236 81 S C 1.744 176.348 174.600 0.007 0.000 1.007 81 S CA 1.035 59.238 58.200 0.005 0.000 0.965 81 S CB -1.029 62.163 63.200 -0.013 0.000 0.773 81 S HN 0.939 nan 8.310 nan 0.000 0.504 82 A N 0.729 123.556 122.820 0.011 0.000 2.132 82 A HA 0.304 4.624 4.320 0.000 0.000 0.213 82 A C 1.267 178.865 177.584 0.023 0.000 1.154 82 A CA 0.546 52.590 52.037 0.011 0.000 0.753 82 A CB -0.387 18.617 19.000 0.007 0.000 0.826 82 A HN 0.630 nan 8.150 nan 0.000 0.469 83 S N -0.113 115.609 115.700 0.037 0.000 2.632 83 S HA 0.320 4.790 4.470 0.000 0.000 0.267 83 S C 0.007 174.655 174.600 0.080 0.000 1.276 83 S CA -0.578 57.658 58.200 0.060 0.000 0.998 83 S CB 0.682 63.925 63.200 0.072 0.000 0.953 83 S HN 0.443 nan 8.310 nan 0.000 0.547 84 E N 0.629 120.901 120.200 0.120 0.000 2.465 84 E HA 0.328 4.678 4.350 0.000 0.000 0.260 84 E C 0.371 177.047 176.600 0.126 0.000 0.980 84 E CA -0.289 56.197 56.400 0.143 0.000 0.927 84 E CB 0.381 30.226 29.700 0.241 0.000 0.934 84 E HN 0.763 nan 8.360 nan 0.000 0.459 85 A N 4.343 127.137 122.820 -0.043 0.000 2.257 85 A HA 0.260 4.580 4.320 0.000 0.000 0.290 85 A C -0.131 177.076 177.584 -0.628 0.000 1.201 85 A CA -0.341 51.586 52.037 -0.183 0.000 0.863 85 A CB 0.641 19.585 19.000 -0.093 0.000 1.256 85 A HN 0.772 nan 8.150 nan 0.000 0.506 86 Q N -0.378 119.021 119.800 -0.669 0.000 2.193 86 Q HA 0.415 4.755 4.340 0.000 0.000 0.246 86 Q C -2.427 173.330 176.000 -0.405 0.000 0.959 86 Q CA -1.793 53.462 55.803 -0.914 0.000 0.904 86 Q CB 0.778 28.823 28.738 -1.155 0.000 1.238 86 Q HN 0.438 nan 8.270 nan 0.000 0.469 87 P HA 0.110 nan 4.420 nan 0.000 0.274 87 P C -1.175 175.902 177.300 -0.372 0.000 1.246 87 P CA -0.013 62.895 63.100 -0.321 0.000 0.795 87 P CB 0.474 32.108 31.700 -0.110 0.000 1.006 88 F N 0.563 120.512 119.950 -0.001 0.000 2.492 88 F HA 0.532 5.059 4.527 0.000 0.000 0.327 88 F C 0.159 176.012 175.800 0.088 0.000 1.079 88 F CA -0.147 57.861 58.000 0.013 0.000 0.967 88 F CB 1.037 40.028 39.000 -0.016 0.000 1.169 88 F HN 0.305 nan 8.300 nan 0.000 0.472 89 Y N 0.326 120.717 120.300 0.151 0.000 2.581 89 Y HA 0.830 5.381 4.550 0.000 0.000 0.345 89 Y C -1.617 174.351 175.900 0.114 0.000 1.036 89 Y CA -1.991 56.145 58.100 0.061 0.000 1.042 89 Y CB 1.377 39.769 38.460 -0.114 0.000 1.289 89 Y HN 0.487 nan 8.280 nan 0.000 0.471 90 V N 0.001 120.115 119.914 0.334 0.000 2.686 90 V HA 0.490 4.610 4.120 0.000 0.000 0.306 90 V C -0.761 175.532 176.094 0.332 0.000 1.065 90 V CA -0.933 61.494 62.300 0.212 0.000 0.894 90 V CB 1.897 33.789 31.823 0.115 0.000 1.004 90 V HN 0.917 nan 8.190 nan 0.000 0.424 91 N N 2.828 121.702 118.700 0.289 0.000 2.471 91 N HA 0.136 4.876 4.740 0.000 0.000 0.205 91 N C 0.254 175.848 175.510 0.140 0.000 1.251 91 N CA 0.873 54.084 53.050 0.268 0.000 0.843 91 N CB 0.134 38.765 38.487 0.240 0.000 1.044 91 N HN 1.115 nan 8.380 nan 0.000 0.461 92 S N -1.210 114.549 115.700 0.098 0.000 2.578 92 S HA 0.353 4.823 4.470 0.000 0.000 0.285 92 S C -3.324 171.251 174.600 -0.042 0.000 1.126 92 S CA -1.165 57.031 58.200 -0.008 0.000 0.878 92 S CB 2.794 65.971 63.200 -0.038 0.000 1.091 92 S HN -0.136 nan 8.310 nan 0.000 0.450 93 P HA 0.263 nan 4.420 nan 0.000 0.275 93 P C -0.175 176.978 177.300 -0.245 0.000 1.228 93 P CA 0.453 63.326 63.100 -0.378 0.000 0.786 93 P CB -0.104 31.230 31.700 -0.611 0.000 0.927 94 Y N 0.324 120.655 120.300 0.052 0.000 3.300 94 Y HA -0.272 4.278 4.550 0.000 0.000 0.453 94 Y C 1.175 177.126 175.900 0.085 0.000 1.180 94 Y CA 1.881 60.032 58.100 0.085 0.000 2.522 94 Y CB -2.625 35.903 38.460 0.113 0.000 0.854 94 Y HN 0.938 nan 8.280 nan 0.000 0.511 95 G N 0.327 109.284 108.800 0.262 0.000 3.373 95 G HA2 0.244 4.204 3.960 0.000 0.000 0.685 95 G HA3 0.244 4.204 3.960 0.000 0.000 0.685 95 G C -0.973 174.208 174.900 0.467 0.000 1.166 95 G CA -0.501 44.795 45.100 0.326 0.000 1.063 95 G HN 0.569 nan 8.290 nan 0.000 0.481 96 I N 1.322 122.188 120.570 0.493 0.000 2.619 96 I HA 0.724 4.895 4.170 0.000 0.000 0.292 96 I C 0.178 176.480 176.117 0.309 0.000 1.100 96 I CA -0.897 60.647 61.300 0.407 0.000 1.043 96 I CB 2.710 40.845 38.000 0.226 0.000 1.239 96 I HN 0.501 nan 8.210 nan 0.000 0.420 97 T N 6.270 120.918 114.554 0.158 0.000 2.907 97 T HA 0.825 5.175 4.350 0.000 0.000 0.292 97 T C -1.488 173.282 174.700 0.116 0.000 1.043 97 T CA -0.492 61.598 62.100 -0.016 0.000 1.003 97 T CB 1.540 70.089 68.868 -0.532 0.000 1.084 97 T HN 0.550 nan 8.240 nan 0.000 0.483 98 L N 3.029 124.329 121.223 0.129 0.000 2.472 98 L HA 0.872 5.212 4.340 0.000 0.000 0.260 98 L C -1.371 175.550 176.870 0.085 0.000 0.963 98 L CA -0.592 54.333 54.840 0.142 0.000 0.829 98 L CB 1.800 43.983 42.059 0.206 0.000 1.348 98 L HN 0.816 nan 8.230 nan 0.000 0.408 99 A N 2.898 125.759 122.820 0.068 0.000 2.365 99 A HA 0.670 4.990 4.320 0.000 0.000 0.318 99 A C -1.655 176.026 177.584 0.161 0.000 1.091 99 A CA -0.419 51.650 52.037 0.053 0.000 0.763 99 A CB 1.036 20.098 19.000 0.103 0.000 1.248 99 A HN 0.901 nan 8.150 nan 0.000 0.442 100 H N 2.278 121.386 119.070 0.064 0.000 2.771 100 H HA 0.426 4.982 4.556 0.000 0.000 0.361 100 H C -1.574 173.872 175.328 0.196 0.000 1.108 100 H CA -0.536 55.569 56.048 0.094 0.000 1.201 100 H CB 1.518 31.322 29.762 0.070 0.000 1.681 100 H HN 0.794 nan 8.280 nan 0.000 0.534 101 N N 3.827 122.474 118.700 -0.088 0.000 2.518 101 N HA 0.464 5.204 4.740 0.000 0.000 0.254 101 N C -0.676 174.632 175.510 -0.337 0.000 0.979 101 N CA 0.140 53.073 53.050 -0.194 0.000 0.930 101 N CB 1.452 39.918 38.487 -0.035 0.000 1.152 101 N HN 0.953 nan 8.380 nan 0.000 0.505 102 G N 2.195 110.688 108.800 -0.511 0.000 2.398 102 G HA2 0.066 4.026 3.960 0.000 0.000 0.251 102 G HA3 0.066 4.026 3.960 0.000 0.000 0.251 102 G C -1.961 172.936 174.900 -0.004 0.000 1.277 102 G CA -0.797 44.218 45.100 -0.142 0.000 0.927 102 G HN 0.667 nan 8.290 nan 0.000 0.477 103 N N -1.103 117.792 118.700 0.324 0.000 2.647 103 N HA 0.470 5.211 4.740 0.000 0.000 0.259 103 N C -1.304 174.447 175.510 0.402 0.000 1.098 103 N CA -0.602 52.659 53.050 0.352 0.000 0.984 103 N CB 1.416 40.042 38.487 0.231 0.000 1.683 103 N HN 0.584 nan 8.380 nan 0.000 0.501 104 L N 2.604 124.026 121.223 0.332 0.000 2.264 104 L HA 0.369 4.709 4.340 0.000 0.000 0.289 104 L C 1.451 178.447 176.870 0.211 0.000 1.044 104 L CA -0.510 54.482 54.840 0.254 0.000 0.807 104 L CB 1.348 43.495 42.059 0.145 0.000 1.192 104 L HN 0.841 nan 8.230 nan 0.000 0.425 105 T N -2.039 112.607 114.554 0.154 0.000 3.035 105 T HA -0.084 4.266 4.350 0.000 0.000 0.268 105 T C 0.970 175.524 174.700 -0.244 0.000 1.109 105 T CA 0.654 62.717 62.100 -0.062 0.000 1.119 105 T CB -0.337 68.469 68.868 -0.103 0.000 0.900 105 T HN 0.676 nan 8.240 nan 0.000 0.503 106 N N 0.625 119.280 118.700 -0.074 0.000 2.467 106 N HA 0.483 5.223 4.740 0.000 0.000 0.278 106 N C 1.178 176.689 175.510 0.002 0.000 1.306 106 N CA 0.076 53.077 53.050 -0.082 0.000 0.905 106 N CB 0.132 38.578 38.487 -0.069 0.000 1.236 106 N HN 0.316 nan 8.380 nan 0.000 0.509 107 A N 0.692 123.554 122.820 0.070 0.000 1.883 107 A HA -0.266 4.054 4.320 0.000 0.000 0.217 107 A C 2.080 179.706 177.584 0.070 0.000 1.186 107 A CA 1.520 53.613 52.037 0.092 0.000 0.624 107 A CB -1.106 17.995 19.000 0.168 0.000 0.822 107 A HN 0.599 nan 8.150 nan 0.000 0.444 108 H N -0.362 118.699 119.070 -0.014 0.000 2.352 108 H HA -0.164 4.392 4.556 0.000 0.000 0.299 108 H C 2.076 177.353 175.328 -0.086 0.000 1.097 108 H CA 2.208 58.206 56.048 -0.083 0.000 1.311 108 H CB -0.072 29.486 29.762 -0.340 0.000 1.377 108 H HN 0.528 nan 8.280 nan 0.000 0.504 109 E N 0.363 120.597 120.200 0.057 0.000 2.106 109 E HA -0.098 4.252 4.350 0.000 0.000 0.192 109 E C 2.345 178.933 176.600 -0.021 0.000 0.984 109 E CA 0.545 56.959 56.400 0.023 0.000 0.806 109 E CB -0.334 29.367 29.700 0.002 0.000 0.750 109 E HN 0.282 nan 8.360 nan 0.000 0.458 110 L N 0.773 121.982 121.223 -0.023 0.000 2.046 110 L HA -0.060 4.280 4.340 0.000 0.000 0.208 110 L C 2.522 179.371 176.870 -0.036 0.000 1.077 110 L CA 1.823 56.648 54.840 -0.024 0.000 0.747 110 L CB -0.948 41.100 42.059 -0.019 0.000 0.896 110 L HN 0.182 nan 8.230 nan 0.000 0.432 111 R N -0.261 120.198 120.500 -0.068 0.000 2.120 111 R HA -0.201 4.139 4.340 0.000 0.000 0.234 111 R C 2.331 178.599 176.300 -0.053 0.000 1.123 111 R CA 1.543 57.593 56.100 -0.085 0.000 0.975 111 R CB -0.057 30.154 30.300 -0.148 0.000 0.866 111 R HN 0.297 nan 8.270 nan 0.000 0.446 112 K N 0.612 120.961 120.400 -0.084 0.000 2.031 112 K HA -0.123 4.197 4.320 0.000 0.000 0.205 112 K C 1.765 178.410 176.600 0.074 0.000 1.049 112 K CA 1.477 57.760 56.287 -0.007 0.000 0.939 112 K CB 0.092 32.571 32.500 -0.035 0.000 0.717 112 K HN 0.084 nan 8.250 nan 0.000 0.438 113 K N 0.587 121.001 120.400 0.024 0.000 2.097 113 K HA -0.106 4.214 4.320 0.000 0.000 0.206 113 K C 2.155 178.761 176.600 0.010 0.000 1.049 113 K CA 1.245 57.540 56.287 0.014 0.000 0.933 113 K CB -0.101 32.397 32.500 -0.004 0.000 0.717 113 K HN 0.146 nan 8.250 nan 0.000 0.442 114 L N -0.095 121.140 121.223 0.020 0.000 2.046 114 L HA -0.181 4.160 4.340 0.000 0.000 0.208 114 L C 2.349 179.241 176.870 0.036 0.000 1.077 114 L CA 1.120 55.969 54.840 0.015 0.000 0.747 114 L CB -0.360 41.707 42.059 0.012 0.000 0.896 114 L HN 0.131 nan 8.230 nan 0.000 0.432 115 F N 0.906 120.829 119.950 -0.045 0.000 2.084 115 F HA -0.192 4.335 4.527 0.000 0.000 0.296 115 F C 2.402 178.188 175.800 -0.024 0.000 1.111 115 F CA 1.710 59.693 58.000 -0.028 0.000 1.224 115 F CB -0.140 38.842 39.000 -0.030 0.000 0.991 115 F HN 0.016 nan 8.300 nan 0.000 0.471 116 E N -0.220 119.902 120.200 -0.129 0.000 2.107 116 E HA -0.163 4.187 4.350 0.000 0.000 0.191 116 E C 1.911 178.400 176.600 -0.185 0.000 0.982 116 E CA 1.503 57.778 56.400 -0.208 0.000 0.809 116 E CB -0.126 29.577 29.700 0.006 0.000 0.756 116 E HN 0.615 nan 8.360 nan 0.000 0.459 117 E N -0.201 119.928 120.200 -0.119 0.000 2.364 117 E HA 0.032 4.382 4.350 0.000 0.000 0.196 117 E C 1.259 177.794 176.600 -0.109 0.000 0.990 117 E CA 0.363 56.704 56.400 -0.099 0.000 0.886 117 E CB 0.478 30.140 29.700 -0.063 0.000 0.866 117 E HN -0.054 nan 8.360 nan 0.000 0.493 118 K N 0.102 120.433 120.400 -0.116 0.000 2.440 118 K HA 0.240 4.560 4.320 0.000 0.000 0.207 118 K C 0.012 176.542 176.600 -0.117 0.000 1.112 118 K CA -0.065 56.162 56.287 -0.100 0.000 1.036 118 K CB 0.988 33.448 32.500 -0.065 0.000 0.935 118 K HN -0.059 nan 8.250 nan 0.000 0.564 119 R N 1.253 121.639 120.500 -0.190 0.000 3.641 119 R HA -0.174 4.166 4.340 0.000 0.000 0.286 119 R C -0.539 175.733 176.300 -0.047 0.000 1.153 119 R CA 0.542 56.517 56.100 -0.209 0.000 0.775 119 R CB -1.781 28.408 30.300 -0.186 0.000 1.215 119 R HN 0.122 nan 8.270 nan 0.000 0.474 120 R N 0.923 121.422 120.500 -0.001 0.000 2.221 120 R HA 0.160 4.500 4.340 0.000 0.000 0.327 120 R C -0.004 176.379 176.300 0.138 0.000 1.033 120 R CA -0.709 55.422 56.100 0.052 0.000 0.887 120 R CB 0.751 31.059 30.300 0.013 0.000 1.057 120 R HN 0.147 nan 8.270 nan 0.000 0.455 121 H N 3.288 122.389 119.070 0.051 0.000 2.548 121 H HA 0.200 4.756 4.556 0.000 0.000 0.331 121 H C -0.430 174.893 175.328 -0.008 0.000 1.093 121 H CA -0.316 55.767 56.048 0.058 0.000 1.367 121 H CB 0.662 30.453 29.762 0.048 0.000 1.455 121 H HN 0.343 nan 8.280 nan 0.000 0.519 122 I N 5.341 125.548 120.570 -0.605 0.000 2.339 122 I HA 0.046 4.216 4.170 0.000 0.000 0.290 122 I C 0.684 176.296 176.117 -0.843 0.000 0.994 122 I CA -0.249 60.726 61.300 -0.541 0.000 1.191 122 I CB 1.051 38.868 38.000 -0.305 0.000 1.343 122 I HN 0.800 nan 8.210 nan 0.000 0.458 123 N N 3.242 121.587 118.700 -0.592 0.000 2.415 123 N HA -0.046 4.694 4.740 0.000 0.000 0.176 123 N C 0.843 176.250 175.510 -0.173 0.000 1.042 123 N CA 0.460 53.324 53.050 -0.311 0.000 0.902 123 N CB 0.544 39.001 38.487 -0.051 0.000 0.986 123 N HN 0.793 nan 8.380 nan 0.000 0.447 124 T N -3.962 110.459 114.554 -0.222 0.000 2.864 124 T HA 0.321 4.671 4.350 0.000 0.000 0.276 124 T C 0.849 175.475 174.700 -0.124 0.000 1.006 124 T CA -0.137 61.880 62.100 -0.137 0.000 0.970 124 T CB 0.978 69.759 68.868 -0.145 0.000 1.420 124 T HN 0.064 nan 8.240 nan 0.000 0.601 125 T N -1.867 112.650 114.554 -0.061 0.000 3.132 125 T HA 0.328 4.678 4.350 0.000 0.000 0.274 125 T C 0.630 175.330 174.700 0.001 0.000 1.011 125 T CA -0.359 61.724 62.100 -0.027 0.000 0.899 125 T CB -0.163 68.702 68.868 -0.006 0.000 1.089 125 T HN 0.595 nan 8.240 nan 0.000 0.543 126 S N 2.860 118.545 115.700 -0.025 0.000 2.505 126 S HA 0.127 4.597 4.470 0.000 0.000 0.276 126 S C 1.335 175.944 174.600 0.015 0.000 1.274 126 S CA -0.545 57.678 58.200 0.038 0.000 1.053 126 S CB 0.369 63.631 63.200 0.104 0.000 0.919 126 S HN 0.492 nan 8.310 nan 0.000 0.490 127 D N 3.930 124.394 120.400 0.106 0.000 2.348 127 D HA -0.067 4.573 4.640 0.000 0.000 0.216 127 D C 1.253 177.607 176.300 0.090 0.000 0.970 127 D CA 0.529 54.591 54.000 0.102 0.000 0.889 127 D CB -0.221 40.682 40.800 0.172 0.000 0.912 127 D HN 0.477 nan 8.370 nan 0.000 0.524 128 S N 0.634 116.447 115.700 0.189 0.000 2.406 128 S HA -0.139 4.331 4.470 0.000 0.000 0.228 128 S C 1.791 176.430 174.600 0.064 0.000 1.020 128 S CA 0.753 59.088 58.200 0.226 0.000 0.965 128 S CB -0.050 63.435 63.200 0.475 0.000 0.798 128 S HN 0.414 nan 8.310 nan 0.000 0.488 129 E N 1.100 121.183 120.200 -0.196 0.000 2.072 129 E HA -0.092 4.258 4.350 0.000 0.000 0.191 129 E C 1.876 178.363 176.600 -0.188 0.000 0.985 129 E CA 0.889 57.032 56.400 -0.427 0.000 0.801 129 E CB -0.134 29.077 29.700 -0.816 0.000 0.750 129 E HN 0.475 nan 8.360 nan 0.000 0.452 130 I N 1.011 121.499 120.570 -0.138 0.000 2.226 130 I HA -0.269 3.901 4.170 0.000 0.000 0.245 130 I C 2.599 178.685 176.117 -0.052 0.000 1.100 130 I CA 0.666 61.916 61.300 -0.083 0.000 1.374 130 I CB -0.204 37.762 38.000 -0.057 0.000 1.057 130 I HN 0.240 nan 8.210 nan 0.000 0.413 131 L N 0.387 121.571 121.223 -0.065 0.000 2.012 131 L HA -0.250 4.090 4.340 0.000 0.000 0.210 131 L C 2.562 179.443 176.870 0.020 0.000 1.073 131 L CA 1.331 56.115 54.840 -0.092 0.000 0.748 131 L CB -0.211 41.700 42.059 -0.247 0.000 0.891 131 L HN 0.248 nan 8.230 nan 0.000 0.431 132 L N -0.007 121.253 121.223 0.062 0.000 2.012 132 L HA -0.275 4.065 4.340 0.000 0.000 0.210 132 L C 2.124 179.083 176.870 0.149 0.000 1.073 132 L CA 1.935 56.875 54.840 0.167 0.000 0.748 132 L CB -0.999 41.155 42.059 0.159 0.000 0.891 132 L HN 0.306 nan 8.230 nan 0.000 0.431 133 N N -0.343 118.392 118.700 0.057 0.000 2.309 133 N HA -0.124 4.616 4.740 0.000 0.000 0.182 133 N C 1.752 177.286 175.510 0.041 0.000 1.018 133 N CA 1.387 54.456 53.050 0.032 0.000 0.876 133 N CB 0.063 38.541 38.487 -0.014 0.000 0.972 133 N HN 0.378 nan 8.380 nan 0.000 0.434 134 I N 0.470 121.071 120.570 0.053 0.000 2.233 134 I HA -0.202 3.968 4.170 0.000 0.000 0.243 134 I C 2.180 178.368 176.117 0.119 0.000 1.093 134 I CA 0.717 62.046 61.300 0.048 0.000 1.380 134 I CB -1.133 36.876 38.000 0.015 0.000 1.067 134 I HN 0.005 nan 8.210 nan 0.000 0.413 135 F N 2.441 122.373 119.950 -0.031 0.000 2.095 135 F HA -0.215 4.312 4.527 0.000 0.000 0.298 135 F C 2.540 178.345 175.800 0.009 0.000 1.104 135 F CA 1.438 59.424 58.000 -0.023 0.000 1.232 135 F CB -0.754 38.255 39.000 0.015 0.000 0.987 135 F HN 0.049 nan 8.300 nan 0.000 0.475 136 A N -0.849 121.973 122.820 0.003 0.000 1.883 136 A HA -0.244 4.076 4.320 0.000 0.000 0.217 136 A C 2.455 179.988 177.584 -0.085 0.000 1.186 136 A CA 2.222 54.194 52.037 -0.108 0.000 0.624 136 A CB -1.562 17.433 19.000 -0.008 0.000 0.822 136 A HN 0.459 nan 8.150 nan 0.000 0.444 137 S N -0.933 114.747 115.700 -0.034 0.000 2.382 137 S HA -0.161 4.309 4.470 0.000 0.000 0.228 137 S C 1.903 176.470 174.600 -0.055 0.000 1.027 137 S CA 1.591 59.764 58.200 -0.044 0.000 0.991 137 S CB -0.342 62.842 63.200 -0.026 0.000 0.823 137 S HN 0.548 nan 8.310 nan 0.000 0.469 138 E N 0.910 121.095 120.200 -0.025 0.000 2.158 138 E HA 0.071 4.421 4.350 0.000 0.000 0.191 138 E C 2.005 178.598 176.600 -0.011 0.000 0.982 138 E CA 0.506 56.897 56.400 -0.015 0.000 0.823 138 E CB -0.374 29.367 29.700 0.068 0.000 0.766 138 E HN 0.514 nan 8.360 nan 0.000 0.468 139 L N 0.781 121.979 121.223 -0.042 0.000 2.291 139 L HA -0.120 4.220 4.340 0.000 0.000 0.214 139 L C 1.650 178.605 176.870 0.142 0.000 1.120 139 L CA 0.685 55.568 54.840 0.071 0.000 0.799 139 L CB -0.058 41.901 42.059 -0.167 0.000 0.925 139 L HN -0.042 nan 8.230 nan 0.000 0.446 140 D N -0.250 120.127 120.400 -0.039 0.000 2.352 140 D HA -0.082 4.558 4.640 0.000 0.000 0.232 140 D C 1.143 177.351 176.300 -0.153 0.000 1.055 140 D CA 0.354 54.298 54.000 -0.093 0.000 0.891 140 D CB 0.052 40.780 40.800 -0.120 0.000 0.897 140 D HN 0.126 nan 8.370 nan 0.000 0.529 141 N N -0.166 118.343 118.700 -0.319 0.000 2.314 141 N HA 0.036 4.776 4.740 0.000 0.000 0.200 141 N C -0.844 174.257 175.510 -0.682 0.000 1.135 141 N CA 0.090 52.843 53.050 -0.494 0.000 0.835 141 N CB 0.117 38.263 38.487 -0.569 0.000 0.989 141 N HN 0.121 nan 8.380 nan 0.000 0.478 142 F N -0.246 119.731 119.950 0.045 0.000 2.436 142 F HA 0.420 4.947 4.527 0.000 0.000 0.340 142 F C 1.467 177.344 175.800 0.128 0.000 1.113 142 F CA -0.903 57.165 58.000 0.114 0.000 1.022 142 F CB 1.680 40.737 39.000 0.095 0.000 1.128 142 F HN -0.302 nan 8.300 nan 0.000 0.466 143 R N 0.177 120.900 120.500 0.373 0.000 2.062 143 R HA 0.029 4.369 4.340 0.000 0.000 0.218 143 R C 0.473 176.959 176.300 0.309 0.000 1.161 143 R CA 0.554 56.814 56.100 0.266 0.000 0.994 143 R CB -0.606 29.811 30.300 0.195 0.000 0.888 143 R HN 0.641 nan 8.270 nan 0.000 0.442 144 H N -0.171 119.009 119.070 0.183 0.000 2.929 144 H HA 0.026 4.582 4.556 0.000 0.000 0.358 144 H C -0.903 174.553 175.328 0.213 0.000 1.111 144 H CA -0.060 56.084 56.048 0.160 0.000 1.409 144 H CB 0.106 29.924 29.762 0.093 0.000 1.373 144 H HN 0.185 nan 8.280 nan 0.000 0.610 145 Y N 2.990 123.273 120.300 -0.028 0.000 2.442 145 Y HA 0.381 4.931 4.550 0.000 0.000 0.344 145 Y C -2.392 173.480 175.900 -0.046 0.000 0.976 145 Y CA -1.937 56.123 58.100 -0.065 0.000 1.040 145 Y CB 1.593 40.078 38.460 0.042 0.000 1.228 145 Y HN 0.745 nan 8.280 nan 0.000 0.451 146 P HA 0.360 nan 4.420 nan 0.000 0.282 146 P C -1.118 175.786 177.300 -0.659 0.000 1.287 146 P CA -0.579 61.737 63.100 -1.306 0.000 0.792 146 P CB 1.430 32.420 31.700 -1.184 0.000 1.163 147 L N 0.491 121.398 121.223 -0.526 0.000 2.397 147 L HA 0.175 4.515 4.340 0.000 0.000 0.271 147 L C 1.155 177.783 176.870 -0.404 0.000 1.148 147 L CA -0.374 54.082 54.840 -0.639 0.000 0.825 147 L CB 0.047 41.580 42.059 -0.877 0.000 1.117 147 L HN 0.330 nan 8.230 nan 0.000 0.456 148 E N 1.144 121.139 120.200 -0.341 0.000 2.312 148 E HA 0.184 4.534 4.350 0.000 0.000 0.259 148 E C 0.729 177.075 176.600 -0.423 0.000 1.122 148 E CA -0.066 56.179 56.400 -0.259 0.000 0.922 148 E CB 1.205 30.819 29.700 -0.143 0.000 1.109 148 E HN 0.664 nan 8.360 nan 0.000 0.442 149 A N 1.561 124.105 122.820 -0.461 0.000 1.978 149 A HA -0.208 4.113 4.320 0.000 0.000 0.220 149 A C 1.451 178.686 177.584 -0.581 0.000 1.170 149 A CA 1.708 53.314 52.037 -0.718 0.000 0.636 149 A CB -0.283 18.108 19.000 -1.015 0.000 0.810 149 A HN 0.453 nan 8.150 nan 0.000 0.448 150 D N 0.036 120.276 120.400 -0.266 0.000 2.144 150 D HA -0.135 4.505 4.640 0.000 0.000 0.199 150 D C 1.677 177.878 176.300 -0.164 0.000 0.984 150 D CA 1.529 55.483 54.000 -0.077 0.000 0.834 150 D CB -0.529 40.248 40.800 -0.037 0.000 0.955 150 D HN 0.721 nan 8.370 nan 0.000 0.465 151 N N -0.042 118.424 118.700 -0.390 0.000 2.216 151 N HA -0.003 4.737 4.740 0.000 0.000 0.183 151 N C 1.952 177.151 175.510 -0.518 0.000 1.017 151 N CA 0.364 53.014 53.050 -0.667 0.000 0.861 151 N CB 0.143 37.758 38.487 -1.454 0.000 0.986 151 N HN 0.137 nan 8.380 nan 0.000 0.428 152 I N 0.215 120.421 120.570 -0.605 0.000 2.252 152 I HA -0.214 3.956 4.170 0.000 0.000 0.245 152 I C 1.363 177.317 176.117 -0.272 0.000 1.102 152 I CA 1.063 62.036 61.300 -0.545 0.000 1.385 152 I CB -0.160 37.256 38.000 -0.972 0.000 1.064 152 I HN 0.047 nan 8.210 nan 0.000 0.414 153 F N 1.029 120.880 119.950 -0.165 0.000 2.186 153 F HA -0.124 4.403 4.527 0.000 0.000 0.299 153 F C 2.613 178.389 175.800 -0.039 0.000 1.090 153 F CA 0.959 58.908 58.000 -0.086 0.000 1.307 153 F CB -1.256 37.704 39.000 -0.067 0.000 1.019 153 F HN -0.003 nan 8.300 nan 0.000 0.489 154 A N -0.012 122.899 122.820 0.152 0.000 1.933 154 A HA -0.040 4.280 4.320 0.000 0.000 0.218 154 A C 2.456 180.136 177.584 0.159 0.000 1.175 154 A CA 1.798 53.928 52.037 0.155 0.000 0.628 154 A CB -1.219 17.903 19.000 0.204 0.000 0.814 154 A HN 0.288 nan 8.150 nan 0.000 0.444 155 A N -0.136 122.797 122.820 0.188 0.000 1.898 155 A HA -0.025 4.295 4.320 0.000 0.000 0.216 155 A C 2.103 179.788 177.584 0.168 0.000 1.181 155 A CA 1.415 53.579 52.037 0.210 0.000 0.620 155 A CB -0.557 18.581 19.000 0.230 0.000 0.819 155 A HN 0.484 nan 8.150 nan 0.000 0.442 156 I N -0.223 120.405 120.570 0.097 0.000 2.226 156 I HA -0.267 3.903 4.170 0.000 0.000 0.245 156 I C 2.950 178.976 176.117 -0.153 0.000 1.100 156 I CA 0.994 62.159 61.300 -0.224 0.000 1.374 156 I CB -0.303 37.455 38.000 -0.404 0.000 1.057 156 I HN 0.358 nan 8.210 nan 0.000 0.413 157 A N 0.764 123.569 122.820 -0.024 0.000 1.902 157 A HA -0.155 4.165 4.320 0.000 0.000 0.217 157 A C 2.544 180.130 177.584 0.003 0.000 1.181 157 A CA 1.822 53.857 52.037 -0.002 0.000 0.623 157 A CB -0.816 18.202 19.000 0.031 0.000 0.818 157 A HN 0.424 nan 8.150 nan 0.000 0.443 158 A N -1.099 121.733 122.820 0.021 0.000 1.933 158 A HA -0.069 4.251 4.320 0.000 0.000 0.218 158 A C 2.282 179.867 177.584 0.002 0.000 1.175 158 A CA 2.241 54.289 52.037 0.018 0.000 0.628 158 A CB -1.173 17.845 19.000 0.030 0.000 0.814 158 A HN 0.429 nan 8.150 nan 0.000 0.444 159 T N 0.341 114.885 114.554 -0.016 0.000 2.777 159 T HA -0.137 4.213 4.350 0.000 0.000 0.266 159 T C 1.694 176.363 174.700 -0.051 0.000 1.040 159 T CA 1.691 63.761 62.100 -0.050 0.000 1.141 159 T CB -0.506 68.283 68.868 -0.131 0.000 0.868 159 T HN 0.694 nan 8.240 nan 0.000 0.444 160 N N 0.350 119.028 118.700 -0.036 0.000 2.364 160 N HA -0.024 4.716 4.740 0.000 0.000 0.183 160 N C 1.945 177.490 175.510 0.059 0.000 1.022 160 N CA 0.535 53.621 53.050 0.060 0.000 0.883 160 N CB 0.032 38.565 38.487 0.077 0.000 0.965 160 N HN 0.293 nan 8.380 nan 0.000 0.438 161 R N -0.038 120.478 120.500 0.025 0.000 2.275 161 R HA 0.126 4.466 4.340 0.000 0.000 0.199 161 R C 1.430 177.739 176.300 0.016 0.000 0.989 161 R CA 0.409 56.522 56.100 0.021 0.000 1.016 161 R CB 0.205 30.512 30.300 0.012 0.000 0.918 161 R HN 0.266 nan 8.270 nan 0.000 0.473 162 L N 0.490 121.719 121.223 0.010 0.000 2.349 162 L HA 0.234 4.574 4.340 0.000 0.000 0.200 162 L C 1.243 178.118 176.870 0.007 0.000 1.064 162 L CA 0.022 54.863 54.840 0.002 0.000 0.821 162 L CB 0.027 42.081 42.059 -0.008 0.000 1.027 162 L HN 0.091 nan 8.230 nan 0.000 0.476 163 I N -0.999 119.574 120.570 0.006 0.000 2.662 163 I HA 0.358 4.528 4.170 0.000 0.000 0.291 163 I C -0.469 175.710 176.117 0.103 0.000 1.046 163 I CA -0.395 60.916 61.300 0.017 0.000 1.361 163 I CB 1.006 38.958 38.000 -0.081 0.000 1.429 163 I HN 0.103 nan 8.210 nan 0.000 0.558 164 R N 3.482 124.058 120.500 0.127 0.000 2.673 164 R HA 0.770 5.110 4.340 0.000 0.000 0.281 164 R C -0.291 176.150 176.300 0.235 0.000 0.991 164 R CA -0.452 55.747 56.100 0.165 0.000 0.896 164 R CB 2.102 32.449 30.300 0.078 0.000 1.201 164 R HN 1.127 nan 8.270 nan 0.000 0.457 165 G N 0.579 109.534 108.800 0.258 0.000 2.288 165 G HA2 0.321 4.281 3.960 0.000 0.000 0.227 165 G HA3 0.321 4.281 3.960 0.000 0.000 0.227 165 G C -1.867 173.102 174.900 0.115 0.000 1.339 165 G CA -0.248 45.043 45.100 0.319 0.000 1.057 165 G HN 0.737 nan 8.290 nan 0.000 0.470 166 A N -0.636 122.307 122.820 0.205 0.000 2.386 166 A HA 1.041 5.362 4.320 0.000 0.000 0.311 166 A C -0.993 176.735 177.584 0.240 0.000 1.068 166 A CA -0.077 51.927 52.037 -0.055 0.000 0.743 166 A CB 1.331 20.284 19.000 -0.077 0.000 1.258 166 A HN 2.264 nan 8.150 nan 0.000 0.429 167 Y N -1.782 118.595 120.300 0.128 0.000 2.393 167 Y HA 0.648 5.198 4.550 0.000 0.000 0.320 167 Y C -0.641 175.295 175.900 0.060 0.000 1.241 167 Y CA -0.848 57.380 58.100 0.215 0.000 1.122 167 Y CB 0.624 39.198 38.460 0.189 0.000 1.322 167 Y HN 1.133 nan 8.280 nan 0.000 0.441 168 A N 2.501 125.445 122.820 0.207 0.000 2.291 168 A HA 0.830 5.150 4.320 0.000 0.000 0.311 168 A C -0.996 176.604 177.584 0.027 0.000 1.224 168 A CA -0.548 51.518 52.037 0.048 0.000 0.821 168 A CB 0.372 19.390 19.000 0.030 0.000 1.172 168 A HN 0.925 nan 8.150 nan 0.000 0.494 169 C N 1.033 120.183 119.300 -0.249 0.000 2.707 169 C HA 0.852 5.312 4.460 0.000 0.000 0.313 169 C C -0.171 174.638 174.990 -0.302 0.000 1.209 169 C CA -0.622 58.171 59.018 -0.375 0.000 1.635 169 C CB 1.547 28.685 27.740 -1.004 0.000 2.206 169 C HN 0.798 nan 8.230 nan 0.000 0.485 170 V N 1.853 121.700 119.914 -0.112 0.000 2.760 170 V HA 0.930 5.050 4.120 0.000 0.000 0.309 170 V C -0.454 175.689 176.094 0.082 0.000 1.077 170 V CA 0.207 62.513 62.300 0.011 0.000 0.910 170 V CB 1.774 33.626 31.823 0.048 0.000 1.008 170 V HN 1.325 nan 8.190 nan 0.000 0.424 171 A N 6.663 129.586 122.820 0.171 0.000 2.583 171 A HA 1.001 5.321 4.320 0.000 0.000 0.289 171 A C -1.295 176.452 177.584 0.273 0.000 1.151 171 A CA -0.803 51.378 52.037 0.240 0.000 0.695 171 A CB 2.274 21.500 19.000 0.376 0.000 1.290 171 A HN 0.812 nan 8.150 nan 0.000 0.419 172 M N 0.668 120.444 119.600 0.293 0.000 2.446 172 M HA 0.518 4.998 4.480 0.000 0.000 0.294 172 M C -1.533 175.003 176.300 0.394 0.000 1.158 172 M CA -0.030 55.471 55.300 0.336 0.000 0.899 172 M CB 2.219 35.037 32.600 0.364 0.000 1.687 172 M HN 0.538 nan 8.290 nan 0.000 0.455 173 I N 3.374 124.137 120.570 0.321 0.000 2.436 173 I HA 0.369 4.539 4.170 0.000 0.000 0.289 173 I C -0.181 176.084 176.117 0.246 0.000 1.010 173 I CA -1.033 60.419 61.300 0.254 0.000 1.098 173 I CB 1.654 39.675 38.000 0.035 0.000 1.266 173 I HN 0.516 nan 8.210 nan 0.000 0.434 174 I N 5.316 125.988 120.570 0.170 0.000 2.826 174 I HA -0.020 4.150 4.170 0.000 0.000 0.295 174 I C 1.530 177.724 176.117 0.128 0.000 1.213 174 I CA 1.152 62.460 61.300 0.014 0.000 1.436 174 I CB -0.260 37.668 38.000 -0.119 0.000 1.348 174 I HN 1.017 nan 8.210 nan 0.000 0.570 175 G N 5.124 113.919 108.800 -0.008 0.000 2.184 175 G HA2 -0.317 3.643 3.960 0.000 0.000 0.264 175 G HA3 -0.317 3.643 3.960 0.000 0.000 0.264 175 G C 0.621 175.251 174.900 -0.449 0.000 0.975 175 G CA 0.864 45.871 45.100 -0.154 0.000 0.642 175 G HN 0.754 nan 8.290 nan 0.000 0.536 176 H N -1.161 117.894 119.070 -0.024 0.000 2.143 176 H HA 0.536 5.092 4.556 0.000 0.000 0.238 176 H C 1.553 176.969 175.328 0.147 0.000 0.914 176 H CA 1.396 57.458 56.048 0.023 0.000 1.154 176 H CB 0.510 30.232 29.762 -0.067 0.000 1.359 176 H HN 1.244 nan 8.280 nan 0.000 0.493 177 G N -0.053 108.941 108.800 0.324 0.000 2.334 177 G HA2 0.080 4.040 3.960 0.000 0.000 0.249 177 G HA3 0.080 4.040 3.960 0.000 0.000 0.249 177 G C -1.439 173.662 174.900 0.335 0.000 1.327 177 G CA -0.381 44.880 45.100 0.268 0.000 0.979 177 G HN 0.241 nan 8.290 nan 0.000 0.471 178 M N 1.034 120.815 119.600 0.301 0.000 2.336 178 M HA 0.701 5.181 4.480 0.000 0.000 0.342 178 M C -0.201 176.329 176.300 0.383 0.000 1.128 178 M CA -0.969 54.511 55.300 0.300 0.000 1.016 178 M CB 1.756 34.484 32.600 0.213 0.000 1.665 178 M HN 1.296 nan 8.290 nan 0.000 0.445 179 V N 1.906 122.030 119.914 0.350 0.000 2.914 179 V HA 1.064 5.184 4.120 0.000 0.000 0.314 179 V C -1.191 175.084 176.094 0.303 0.000 1.084 179 V CA -0.530 61.988 62.300 0.363 0.000 0.963 179 V CB 1.474 33.506 31.823 0.349 0.000 1.025 179 V HN 1.036 nan 8.190 nan 0.000 0.432 180 A N 4.104 127.111 122.820 0.311 0.000 2.455 180 A HA 1.011 5.331 4.320 0.000 0.000 0.300 180 A C -1.078 176.692 177.584 0.309 0.000 1.040 180 A CA -0.505 51.651 52.037 0.198 0.000 0.697 180 A CB 1.525 20.603 19.000 0.131 0.000 1.265 180 A HN 2.101 nan 8.150 nan 0.000 0.407 181 F N -0.389 119.610 119.950 0.082 0.000 2.645 181 F HA 0.867 5.394 4.527 0.000 0.000 0.310 181 F C -0.752 175.122 175.800 0.124 0.000 1.102 181 F CA -0.919 57.134 58.000 0.089 0.000 0.952 181 F CB 1.495 40.530 39.000 0.059 0.000 1.326 181 F HN 0.663 nan 8.300 nan 0.000 0.456 182 R N 1.213 121.872 120.500 0.265 0.000 2.740 182 R HA 0.379 4.719 4.340 0.000 0.000 0.282 182 R C -1.233 175.068 176.300 0.000 0.000 0.969 182 R CA -0.846 55.305 56.100 0.085 0.000 0.918 182 R CB 1.679 31.997 30.300 0.030 0.000 1.175 182 R HN 0.974 nan 8.270 nan 0.000 0.464 183 D N 3.577 123.712 120.400 -0.442 0.000 2.419 183 D HA -0.019 4.621 4.640 0.000 0.000 0.236 183 D C -1.615 174.513 176.300 -0.286 0.000 1.165 183 D CA -1.000 52.527 54.000 -0.787 0.000 0.882 183 D CB 0.552 40.691 40.800 -1.102 0.000 1.201 183 D HN 0.230 nan 8.370 nan 0.000 0.443 184 P HA -0.132 nan 4.420 nan 0.000 0.231 184 P C -0.013 177.225 177.300 -0.104 0.000 1.158 184 P CA 0.724 63.771 63.100 -0.088 0.000 0.763 184 P CB 0.169 31.847 31.700 -0.036 0.000 0.805 185 N N -0.816 117.789 118.700 -0.158 0.000 2.184 185 N HA 0.073 4.813 4.740 0.000 0.000 0.206 185 N C 1.083 176.514 175.510 -0.133 0.000 1.151 185 N CA 0.611 53.575 53.050 -0.143 0.000 0.878 185 N CB 0.265 38.643 38.487 -0.181 0.000 1.014 185 N HN 0.087 nan 8.380 nan 0.000 0.512 186 G N 2.065 110.784 108.800 -0.135 0.000 2.341 186 G HA2 -0.274 3.686 3.960 0.000 0.000 0.292 186 G HA3 -0.274 3.686 3.960 0.000 0.000 0.292 186 G C 0.949 175.801 174.900 -0.080 0.000 1.021 186 G CA 0.455 45.501 45.100 -0.090 0.000 0.905 186 G HN 0.356 nan 8.290 nan 0.000 0.508 187 I N -0.735 119.751 120.570 -0.141 0.000 2.162 187 I HA 0.054 4.224 4.170 0.000 0.000 0.238 187 I C 1.852 177.932 176.117 -0.062 0.000 1.076 187 I CA 0.779 62.009 61.300 -0.116 0.000 1.353 187 I CB -0.216 37.633 38.000 -0.251 0.000 1.063 187 I HN 0.124 nan 8.210 nan 0.000 0.408 188 R N 2.516 122.968 120.500 -0.080 0.000 2.441 188 R HA 0.256 4.596 4.340 0.000 0.000 0.284 188 R C -2.272 174.018 176.300 -0.017 0.000 1.070 188 R CA -1.757 54.318 56.100 -0.042 0.000 1.047 188 R CB -0.120 30.163 30.300 -0.029 0.000 1.016 188 R HN 0.063 nan 8.270 nan 0.000 0.477 189 P HA 0.183 nan 4.420 nan 0.000 0.275 189 P C -0.836 176.489 177.300 0.040 0.000 1.227 189 P CA -0.363 62.752 63.100 0.025 0.000 0.781 189 P CB 0.945 32.656 31.700 0.019 0.000 0.906 190 L N 3.790 125.050 121.223 0.062 0.000 2.795 190 L HA 0.288 4.628 4.340 0.000 0.000 0.260 190 L C -1.003 175.920 176.870 0.089 0.000 0.935 190 L CA -0.704 54.174 54.840 0.063 0.000 0.985 190 L CB 1.486 43.569 42.059 0.039 0.000 1.433 190 L HN 0.286 nan 8.230 nan 0.000 0.447 191 V N 2.032 122.010 119.914 0.106 0.000 2.994 191 V HA 0.828 4.948 4.120 0.000 0.000 0.318 191 V C -0.910 175.205 176.094 0.035 0.000 1.085 191 V CA -0.897 61.471 62.300 0.112 0.000 0.998 191 V CB 1.941 33.932 31.823 0.280 0.000 1.063 191 V HN 0.777 nan 8.190 nan 0.000 0.447 192 L N 2.096 123.282 121.223 -0.062 0.000 2.346 192 L HA 1.038 5.379 4.340 0.000 0.000 0.276 192 L C 0.107 176.928 176.870 -0.082 0.000 1.006 192 L CA 0.379 55.194 54.840 -0.041 0.000 0.817 192 L CB 1.414 43.449 42.059 -0.040 0.000 1.272 192 L HN 1.183 nan 8.230 nan 0.000 0.421 193 G N 2.876 111.722 108.800 0.076 0.000 2.680 193 G HA2 0.723 4.683 3.960 0.000 0.000 0.290 193 G HA3 0.723 4.683 3.960 0.000 0.000 0.290 193 G C -1.835 173.284 174.900 0.365 0.000 1.355 193 G CA -0.736 44.468 45.100 0.173 0.000 0.903 193 G HN 0.754 nan 8.290 nan 0.000 0.474 194 K N -0.941 119.645 120.400 0.310 0.000 2.512 194 K HA 0.811 5.131 4.320 0.000 0.000 0.263 194 K C -0.899 175.550 176.600 -0.250 0.000 0.966 194 K CA -1.051 55.284 56.287 0.080 0.000 0.851 194 K CB 2.406 34.843 32.500 -0.104 0.000 1.395 194 K HN 0.533 nan 8.250 nan 0.000 0.440 195 R N 1.289 121.422 120.500 -0.612 0.000 2.500 195 R HA 0.260 4.600 4.340 0.000 0.000 0.299 195 R C -1.323 174.698 176.300 -0.465 0.000 1.038 195 R CA -0.524 55.129 56.100 -0.745 0.000 0.903 195 R CB 1.028 30.462 30.300 -1.442 0.000 1.177 195 R HN 0.791 nan 8.270 nan 0.000 0.455 196 D N 6.094 126.308 120.400 -0.311 0.000 2.339 196 D HA 0.058 4.698 4.640 0.000 0.000 0.256 196 D C 1.228 177.417 176.300 -0.186 0.000 1.214 196 D CA -0.065 53.804 54.000 -0.218 0.000 0.877 196 D CB 1.131 41.841 40.800 -0.150 0.000 1.111 196 D HN 0.427 nan 8.370 nan 0.000 0.478 197 I N 1.627 122.098 120.570 -0.165 0.000 2.585 197 I HA -0.049 4.121 4.170 0.000 0.000 0.254 197 I C 0.908 176.972 176.117 -0.088 0.000 1.129 197 I CA 1.058 62.284 61.300 -0.123 0.000 1.455 197 I CB -0.612 37.324 38.000 -0.107 0.000 1.111 197 I HN 0.427 nan 8.210 nan 0.000 0.433 198 D N -1.602 118.749 120.400 -0.082 0.000 2.970 198 D HA 0.084 4.724 4.640 0.000 0.000 0.344 198 D C 0.462 176.728 176.300 -0.057 0.000 1.365 198 D CA -0.402 53.562 54.000 -0.061 0.000 0.910 198 D CB 0.569 41.341 40.800 -0.047 0.000 1.445 198 D HN -0.282 nan 8.370 nan 0.000 0.532 199 E N -0.437 119.737 120.200 -0.043 0.000 2.130 199 E HA -0.074 4.276 4.350 0.000 0.000 0.196 199 E C 0.913 177.492 176.600 -0.036 0.000 0.998 199 E CA 1.499 57.877 56.400 -0.037 0.000 0.806 199 E CB -0.242 29.441 29.700 -0.028 0.000 0.738 199 E HN 0.406 nan 8.360 nan 0.000 0.459 200 N N -0.213 118.465 118.700 -0.036 0.000 2.184 200 N HA 0.108 4.848 4.740 0.000 0.000 0.206 200 N C -0.337 175.150 175.510 -0.039 0.000 1.151 200 N CA 0.018 53.049 53.050 -0.032 0.000 0.878 200 N CB 0.858 39.331 38.487 -0.024 0.000 1.014 200 N HN -0.024 nan 8.380 nan 0.000 0.512 201 R N 0.773 121.241 120.500 -0.054 0.000 2.439 201 R HA 0.406 4.746 4.340 0.000 0.000 0.310 201 R C -0.938 175.292 176.300 -0.116 0.000 0.955 201 R CA -0.201 55.858 56.100 -0.068 0.000 0.853 201 R CB 1.891 32.156 30.300 -0.058 0.000 1.171 201 R HN -0.185 nan 8.270 nan 0.000 0.449 202 T N 2.513 116.978 114.554 -0.148 0.000 2.879 202 T HA 0.240 4.590 4.350 0.000 0.000 0.290 202 T C -0.577 173.884 174.700 -0.399 0.000 0.993 202 T CA -0.786 61.138 62.100 -0.293 0.000 0.975 202 T CB 1.835 70.504 68.868 -0.330 0.000 0.981 202 T HN 0.423 nan 8.240 nan 0.000 0.439 203 E N 1.871 121.825 120.200 -0.409 0.000 2.248 203 E HA 0.503 4.853 4.350 0.000 0.000 0.272 203 E C -1.156 175.233 176.600 -0.353 0.000 1.008 203 E CA -0.734 55.523 56.400 -0.239 0.000 0.856 203 E CB 1.389 31.056 29.700 -0.056 0.000 1.120 203 E HN 0.502 nan 8.360 nan 0.000 0.397 204 Y N 0.755 121.213 120.300 0.264 0.000 2.570 204 Y HA 0.497 5.047 4.550 0.000 0.000 0.345 204 Y C 0.134 176.160 175.900 0.211 0.000 1.014 204 Y CA -0.994 57.263 58.100 0.262 0.000 1.063 204 Y CB 1.874 40.406 38.460 0.119 0.000 1.272 204 Y HN 0.476 nan 8.280 nan 0.000 0.477 205 M N 1.759 121.510 119.600 0.252 0.000 2.534 205 M HA 0.829 5.309 4.480 0.000 0.000 0.280 205 M C -2.148 174.152 176.300 -0.001 0.000 1.217 205 M CA -0.999 54.279 55.300 -0.037 0.000 0.893 205 M CB 2.388 34.660 32.600 -0.546 0.000 1.730 205 M HN 0.393 nan 8.290 nan 0.000 0.483 206 V N -0.166 119.742 119.914 -0.010 0.000 2.823 206 V HA 1.099 5.219 4.120 0.000 0.000 0.312 206 V C -0.761 175.328 176.094 -0.007 0.000 1.072 206 V CA -0.033 62.276 62.300 0.015 0.000 0.937 206 V CB 1.059 32.909 31.823 0.046 0.000 1.013 206 V HN 1.425 nan 8.190 nan 0.000 0.430 207 A N 2.244 125.073 122.820 0.015 0.000 2.606 207 A HA 0.749 5.069 4.320 0.000 0.000 0.293 207 A C 0.581 178.190 177.584 0.042 0.000 1.082 207 A CA 0.089 52.135 52.037 0.015 0.000 0.685 207 A CB 1.418 20.420 19.000 0.003 0.000 1.284 207 A HN 1.009 nan 8.150 nan 0.000 0.408 208 S N -0.043 115.676 115.700 0.032 0.000 2.382 208 S HA -0.030 4.440 4.470 0.000 0.000 0.228 208 S C 0.534 175.178 174.600 0.073 0.000 1.027 208 S CA 1.610 59.836 58.200 0.044 0.000 0.991 208 S CB -0.138 63.078 63.200 0.027 0.000 0.823 208 S HN 0.681 nan 8.310 nan 0.000 0.469 209 E N -0.231 120.019 120.200 0.083 0.000 2.317 209 E HA 0.296 4.646 4.350 0.000 0.000 0.270 209 E C 0.388 177.070 176.600 0.136 0.000 0.885 209 E CA -0.160 56.309 56.400 0.115 0.000 0.760 209 E CB 1.709 31.483 29.700 0.123 0.000 1.227 209 E HN 0.186 nan 8.360 nan 0.000 0.434 210 S N 0.230 116.039 115.700 0.180 0.000 2.442 210 S HA -0.168 4.302 4.470 0.000 0.000 0.236 210 S C 1.957 176.655 174.600 0.163 0.000 1.007 210 S CA 1.249 59.580 58.200 0.219 0.000 0.965 210 S CB -0.704 62.634 63.200 0.231 0.000 0.773 210 S HN 0.452 nan 8.310 nan 0.000 0.504 211 V N -0.044 119.947 119.914 0.127 0.000 2.594 211 V HA 0.016 4.136 4.120 0.000 0.000 0.253 211 V C 2.674 178.818 176.094 0.084 0.000 1.069 211 V CA 1.306 63.665 62.300 0.098 0.000 1.082 211 V CB -1.805 30.060 31.823 0.071 0.000 0.680 211 V HN 0.537 nan 8.190 nan 0.000 0.469 212 A N 0.923 123.787 122.820 0.073 0.000 1.969 212 A HA 0.055 4.375 4.320 0.000 0.000 0.218 212 A C 2.218 179.814 177.584 0.020 0.000 1.169 212 A CA 1.903 53.959 52.037 0.032 0.000 0.635 212 A CB -0.510 18.491 19.000 0.001 0.000 0.810 212 A HN 0.595 nan 8.150 nan 0.000 0.445 213 L N -0.572 120.686 121.223 0.060 0.000 2.044 213 L HA -0.134 4.206 4.340 0.000 0.000 0.205 213 L C 2.026 179.002 176.870 0.176 0.000 1.075 213 L CA 1.322 56.225 54.840 0.105 0.000 0.747 213 L CB -1.032 41.142 42.059 0.193 0.000 0.903 213 L HN 0.244 nan 8.230 nan 0.000 0.435 214 D N -0.199 120.289 120.400 0.146 0.000 2.104 214 D HA -0.204 4.436 4.640 0.000 0.000 0.194 214 D C 2.132 178.499 176.300 0.112 0.000 0.994 214 D CA 1.849 55.924 54.000 0.125 0.000 0.830 214 D CB -0.458 40.402 40.800 0.099 0.000 0.959 214 D HN 0.134 nan 8.370 nan 0.000 0.452 215 T N -0.083 114.528 114.554 0.096 0.000 2.929 215 T HA -0.039 4.311 4.350 0.000 0.000 0.271 215 T C 1.698 176.463 174.700 0.108 0.000 1.085 215 T CA 0.530 62.680 62.100 0.084 0.000 1.125 215 T CB -0.067 68.841 68.868 0.066 0.000 0.874 215 T HN 0.082 nan 8.240 nan 0.000 0.494 216 L N -0.562 120.754 121.223 0.155 0.000 2.640 216 L HA 0.334 4.674 4.340 0.000 0.000 0.230 216 L C 1.732 178.767 176.870 0.276 0.000 1.123 216 L CA 0.363 55.342 54.840 0.232 0.000 0.900 216 L CB 0.129 42.361 42.059 0.288 0.000 1.146 216 L HN 0.410 nan 8.230 nan 0.000 0.484 217 G N 0.151 109.077 108.800 0.209 0.000 2.136 217 G HA2 -0.298 3.662 3.960 0.000 0.000 0.242 217 G HA3 -0.298 3.662 3.960 0.000 0.000 0.242 217 G C 0.006 174.965 174.900 0.099 0.000 0.989 217 G CA -0.348 44.823 45.100 0.119 0.000 0.682 217 G HN 0.132 nan 8.290 nan 0.000 0.522 218 F N 1.560 121.528 119.950 0.028 0.000 2.389 218 F HA 0.430 4.957 4.527 0.000 0.000 0.337 218 F C 0.758 176.586 175.800 0.047 0.000 1.112 218 F CA -0.679 57.336 58.000 0.025 0.000 1.192 218 F CB 0.842 39.863 39.000 0.036 0.000 1.185 218 F HN -0.011 nan 8.300 nan 0.000 0.552 219 D N 2.897 123.391 120.400 0.157 0.000 2.256 219 D HA 0.065 4.705 4.640 0.000 0.000 0.250 219 D C -0.456 175.962 176.300 0.196 0.000 1.093 219 D CA -0.198 53.884 54.000 0.136 0.000 0.882 219 D CB 1.008 41.840 40.800 0.052 0.000 1.185 219 D HN 0.254 nan 8.370 nan 0.000 0.437 220 F N 2.232 122.224 119.950 0.070 0.000 2.495 220 F HA 0.078 4.605 4.527 0.000 0.000 0.365 220 F C 0.463 176.299 175.800 0.060 0.000 1.090 220 F CA 0.027 58.066 58.000 0.065 0.000 1.235 220 F CB 0.502 39.511 39.000 0.014 0.000 1.119 220 F HN 0.286 nan 8.300 nan 0.000 0.562 221 L N 4.814 125.636 121.223 -0.668 0.000 2.488 221 L HA 0.340 4.680 4.340 0.000 0.000 0.186 221 L C 0.229 176.657 176.870 -0.738 0.000 1.124 221 L CA -0.003 54.567 54.840 -0.451 0.000 0.838 221 L CB -0.001 41.940 42.059 -0.197 0.000 1.107 221 L HN 0.703 nan 8.230 nan 0.000 0.494 222 R N -1.030 118.876 120.500 -0.990 0.000 2.780 222 R HA 0.259 4.599 4.340 0.000 0.000 0.280 222 R C -1.911 174.221 176.300 -0.280 0.000 1.016 222 R CA -0.872 54.894 56.100 -0.556 0.000 0.854 222 R CB 0.621 30.828 30.300 -0.155 0.000 1.293 222 R HN -0.196 nan 8.270 nan 0.000 0.483 223 D N 0.394 120.832 120.400 0.064 0.000 2.339 223 D HA 0.271 4.911 4.640 0.000 0.000 0.245 223 D C -0.366 175.958 176.300 0.040 0.000 1.115 223 D CA -0.148 53.920 54.000 0.115 0.000 0.917 223 D CB 1.274 42.174 40.800 0.167 0.000 1.192 223 D HN 0.257 nan 8.370 nan 0.000 0.428 224 V N 2.116 122.055 119.914 0.043 0.000 2.470 224 V HA 0.334 4.455 4.120 0.000 0.000 0.276 224 V C 0.670 176.786 176.094 0.038 0.000 1.040 224 V CA -0.565 61.757 62.300 0.036 0.000 1.008 224 V CB 0.580 32.434 31.823 0.052 0.000 0.990 224 V HN 0.712 nan 8.190 nan 0.000 0.477 225 A N 8.495 131.331 122.820 0.026 0.000 2.492 225 A HA 0.398 4.718 4.320 0.000 0.000 0.236 225 A C -2.256 175.336 177.584 0.013 0.000 1.078 225 A CA -0.873 51.174 52.037 0.017 0.000 0.773 225 A CB -0.379 18.624 19.000 0.004 0.000 1.023 225 A HN 0.695 nan 8.150 nan 0.000 0.504 226 P HA 0.258 nan 4.420 nan 0.000 0.268 226 P C 1.044 178.339 177.300 -0.008 0.000 1.204 226 P CA 1.800 64.887 63.100 -0.023 0.000 0.768 226 P CB 0.680 32.355 31.700 -0.041 0.000 0.842 227 G N 1.623 110.427 108.800 0.006 0.000 2.220 227 G HA2 -0.316 3.644 3.960 0.000 0.000 0.269 227 G HA3 -0.316 3.644 3.960 0.000 0.000 0.269 227 G C 0.327 175.262 174.900 0.058 0.000 0.977 227 G CA 0.264 45.387 45.100 0.039 0.000 0.634 227 G HN 0.632 nan 8.290 nan 0.000 0.539 228 E N 0.675 120.906 120.200 0.052 0.000 2.373 228 E HA 0.604 4.954 4.350 0.000 0.000 0.263 228 E C 0.291 176.965 176.600 0.122 0.000 1.073 228 E CA 0.031 56.455 56.400 0.041 0.000 0.894 228 E CB 0.732 30.444 29.700 0.019 0.000 1.008 228 E HN 0.877 nan 8.360 nan 0.000 0.420 229 A N 4.310 127.188 122.820 0.096 0.000 2.401 229 A HA 0.574 4.894 4.320 0.000 0.000 0.310 229 A C -1.174 176.589 177.584 0.299 0.000 1.075 229 A CA -0.782 51.412 52.037 0.262 0.000 0.746 229 A CB 1.058 20.258 19.000 0.333 0.000 1.277 229 A HN 0.504 nan 8.150 nan 0.000 0.425 230 I N 1.736 122.535 120.570 0.381 0.000 2.465 230 I HA 0.360 4.530 4.170 0.000 0.000 0.291 230 I C -1.288 175.118 176.117 0.481 0.000 1.014 230 I CA -0.426 61.089 61.300 0.358 0.000 1.093 230 I CB 1.365 39.480 38.000 0.192 0.000 1.267 230 I HN 0.716 nan 8.210 nan 0.000 0.431 231 Y N 7.286 127.797 120.300 0.352 0.000 2.346 231 Y HA 0.659 5.209 4.550 0.000 0.000 0.332 231 Y C -1.297 174.737 175.900 0.223 0.000 0.985 231 Y CA -1.540 56.689 58.100 0.215 0.000 1.112 231 Y CB 1.518 39.964 38.460 -0.023 0.000 1.170 231 Y HN 0.436 nan 8.280 nan 0.000 0.447 232 I N 6.243 126.740 120.570 -0.123 0.000 2.410 232 I HA 0.307 4.477 4.170 0.000 0.000 0.286 232 I C 0.238 176.139 176.117 -0.361 0.000 1.009 232 I CA -0.682 60.478 61.300 -0.233 0.000 1.111 232 I CB 2.009 39.991 38.000 -0.030 0.000 1.262 232 I HN 0.721 nan 8.210 nan 0.000 0.443 233 T N 0.671 114.960 114.554 -0.442 0.000 2.766 233 T HA 0.166 4.516 4.350 0.000 0.000 0.295 233 T C 1.062 175.720 174.700 -0.070 0.000 1.024 233 T CA -0.402 61.527 62.100 -0.284 0.000 1.018 233 T CB 0.827 69.593 68.868 -0.169 0.000 1.002 233 T HN 0.634 nan 8.240 nan 0.000 0.532 234 E N 0.546 120.726 120.200 -0.034 0.000 2.147 234 E HA -0.191 4.159 4.350 0.000 0.000 0.199 234 E C 1.799 178.404 176.600 0.008 0.000 1.005 234 E CA 1.410 57.810 56.400 0.002 0.000 0.810 234 E CB -0.026 29.670 29.700 -0.007 0.000 0.736 234 E HN 0.638 nan 8.360 nan 0.000 0.460 235 E N -0.712 119.482 120.200 -0.009 0.000 2.489 235 E HA 0.030 4.380 4.350 0.000 0.000 0.193 235 E C 1.172 177.778 176.600 0.009 0.000 1.057 235 E CA 0.649 57.048 56.400 -0.002 0.000 0.866 235 E CB 0.623 30.318 29.700 -0.008 0.000 0.916 235 E HN 0.396 nan 8.360 nan 0.000 0.500 236 G N 2.114 110.927 108.800 0.021 0.000 2.132 236 G HA2 -0.312 3.648 3.960 0.000 0.000 0.228 236 G HA3 -0.312 3.648 3.960 0.000 0.000 0.228 236 G C 0.089 175.028 174.900 0.065 0.000 1.000 236 G CA 0.352 45.498 45.100 0.076 0.000 0.693 236 G HN 0.340 nan 8.290 nan 0.000 0.515 237 Q N -0.203 119.570 119.800 -0.044 0.000 2.278 237 Q HA 0.657 4.997 4.340 0.000 0.000 0.257 237 Q C -0.115 175.686 176.000 -0.333 0.000 0.928 237 Q CA -0.962 54.740 55.803 -0.168 0.000 0.932 237 Q CB 0.931 29.571 28.738 -0.164 0.000 1.221 237 Q HN 0.426 nan 8.270 nan 0.000 0.434 238 L N 4.751 125.707 121.223 -0.445 0.000 2.292 238 L HA 0.521 4.861 4.340 0.000 0.000 0.284 238 L C -1.672 174.846 176.870 -0.587 0.000 1.065 238 L CA 0.289 54.817 54.840 -0.519 0.000 0.806 238 L CB 0.505 42.158 42.059 -0.676 0.000 1.175 238 L HN 0.599 nan 8.230 nan 0.000 0.431 239 F N 1.932 121.881 119.950 -0.002 0.000 2.563 239 F HA 0.734 5.261 4.527 0.000 0.000 0.316 239 F C 0.131 176.088 175.800 0.261 0.000 1.076 239 F CA -0.461 57.661 58.000 0.204 0.000 0.921 239 F CB 2.451 41.739 39.000 0.480 0.000 1.209 239 F HN 0.535 nan 8.300 nan 0.000 0.462 240 T N -0.001 114.715 114.554 0.270 0.000 2.909 240 T HA 0.864 5.214 4.350 0.000 0.000 0.299 240 T C -1.216 173.281 174.700 -0.337 0.000 1.073 240 T CA -0.923 61.189 62.100 0.020 0.000 0.999 240 T CB 2.428 71.289 68.868 -0.012 0.000 1.098 240 T HN 0.697 nan 8.240 nan 0.000 0.477 241 R N 1.042 121.202 120.500 -0.566 0.000 2.563 241 R HA 0.465 4.805 4.340 0.000 0.000 0.262 241 R C -1.606 174.474 176.300 -0.366 0.000 1.128 241 R CA -0.460 55.241 56.100 -0.665 0.000 0.969 241 R CB 1.806 31.201 30.300 -1.509 0.000 1.251 241 R HN 0.763 nan 8.270 nan 0.000 0.442 242 Q N 2.922 122.597 119.800 -0.209 0.000 2.286 242 Q HA 0.193 4.533 4.340 0.000 0.000 0.267 242 Q C -0.726 175.214 176.000 -0.099 0.000 1.028 242 Q CA 0.381 56.119 55.803 -0.109 0.000 0.901 242 Q CB 0.683 29.378 28.738 -0.071 0.000 1.183 242 Q HN 0.716 nan 8.270 nan 0.000 0.392 243 C N 3.886 123.154 119.300 -0.053 0.000 2.863 243 C HA 0.843 5.303 4.460 0.000 0.000 0.284 243 C C 0.089 175.079 174.990 0.000 0.000 1.426 243 C CA 0.128 59.131 59.018 -0.025 0.000 1.782 243 C CB -1.215 26.518 27.740 -0.011 0.000 2.554 243 C HN 0.793 nan 8.230 nan 0.000 0.566 244 A N 0.022 122.843 122.820 0.000 0.000 2.556 244 A HA 0.683 5.003 4.320 0.000 0.000 0.294 244 A C -1.546 176.038 177.584 -0.000 0.000 1.091 244 A CA -0.335 51.708 52.037 0.011 0.000 0.704 244 A CB 1.007 20.020 19.000 0.023 0.000 1.300 244 A HN 0.260 nan 8.150 nan 0.000 0.406 245 D N 0.603 121.004 120.400 0.002 0.000 2.225 245 D HA 0.290 4.930 4.640 0.000 0.000 0.249 245 D C -0.351 175.946 176.300 -0.006 0.000 1.052 245 D CA 0.155 54.153 54.000 -0.003 0.000 0.909 245 D CB 0.656 41.456 40.800 0.000 0.000 1.186 245 D HN 0.640 nan 8.370 nan 0.000 0.431 246 N N 0.419 119.113 118.700 -0.010 0.000 2.705 246 N HA -0.132 4.608 4.740 0.000 0.000 0.255 246 N C -2.399 173.099 175.510 -0.019 0.000 1.008 246 N CA -0.126 52.916 53.050 -0.014 0.000 0.742 246 N CB -0.791 37.689 38.487 -0.011 0.000 0.906 246 N HN 0.318 nan 8.380 nan 0.000 0.541 247 P HA 0.250 nan 4.420 nan 0.000 0.275 247 P C -0.369 176.910 177.300 -0.034 0.000 1.227 247 P CA 0.025 63.108 63.100 -0.028 0.000 0.781 247 P CB 1.856 33.542 31.700 -0.023 0.000 0.906 248 V N 1.788 121.674 119.914 -0.046 0.000 3.114 248 V HA 0.384 4.504 4.120 0.000 0.000 0.308 248 V C -0.811 175.243 176.094 -0.065 0.000 1.168 248 V CA -0.667 61.602 62.300 -0.053 0.000 1.015 248 V CB 2.610 34.401 31.823 -0.053 0.000 1.050 248 V HN 0.564 nan 8.190 nan 0.000 0.433 249 S N 4.184 119.839 115.700 -0.075 0.000 2.410 249 S HA 0.493 4.963 4.470 0.000 0.000 0.304 249 S C -0.218 174.304 174.600 -0.129 0.000 1.095 249 S CA -0.401 57.746 58.200 -0.088 0.000 1.089 249 S CB -0.001 63.148 63.200 -0.085 0.000 0.968 249 S HN 0.748 nan 8.310 nan 0.000 0.480 250 N N 3.194 121.834 118.700 -0.100 0.000 2.723 250 N HA 0.197 4.937 4.740 0.000 0.000 0.290 250 N C -2.919 172.595 175.510 0.006 0.000 1.882 250 N CA -1.325 51.675 53.050 -0.083 0.000 0.851 250 N CB 1.341 39.789 38.487 -0.064 0.000 1.234 250 N HN 0.385 nan 8.380 nan 0.000 0.491 251 P HA -0.074 nan 4.420 nan 0.000 0.266 251 P C 0.360 177.870 177.300 0.349 0.000 1.195 251 P CA -0.117 63.114 63.100 0.219 0.000 0.768 251 P CB 0.877 32.796 31.700 0.364 0.000 0.838 252 C N 5.094 124.527 119.300 0.220 0.000 2.601 252 C HA -0.002 4.458 4.460 0.000 0.000 0.405 252 C C 2.067 177.257 174.990 0.334 0.000 1.441 252 C CA -0.235 58.911 59.018 0.213 0.000 1.555 252 C CB -2.096 25.697 27.740 0.087 0.000 2.450 252 C HN 0.569 nan 8.230 nan 0.000 0.614 253 L N 5.866 127.317 121.223 0.379 0.000 2.217 253 L HA 0.103 4.443 4.340 0.000 0.000 0.211 253 L C 1.726 178.814 176.870 0.363 0.000 1.107 253 L CA 1.596 56.651 54.840 0.358 0.000 0.783 253 L CB -1.058 41.147 42.059 0.244 0.000 0.919 253 L HN 0.842 nan 8.230 nan 0.000 0.442 254 F N 0.295 120.334 119.950 0.149 0.000 2.171 254 F HA -0.190 4.337 4.527 0.000 0.000 0.300 254 F C 2.413 178.170 175.800 -0.072 0.000 1.090 254 F CA 1.439 59.452 58.000 0.020 0.000 1.293 254 F CB -0.084 38.820 39.000 -0.161 0.000 1.013 254 F HN 0.155 nan 8.300 nan 0.000 0.486 255 E N -0.505 119.668 120.200 -0.045 0.000 2.097 255 E HA -0.276 4.074 4.350 0.000 0.000 0.196 255 E C 2.190 178.668 176.600 -0.203 0.000 1.000 255 E CA 1.865 58.180 56.400 -0.141 0.000 0.804 255 E CB -0.811 28.734 29.700 -0.259 0.000 0.740 255 E HN 0.517 nan 8.360 nan 0.000 0.454 256 Y N 0.370 120.638 120.300 -0.052 0.000 2.242 256 Y HA -0.156 4.394 4.550 0.000 0.000 0.291 256 Y C 2.518 178.352 175.900 -0.109 0.000 1.137 256 Y CA 0.593 58.651 58.100 -0.070 0.000 1.181 256 Y CB -0.643 37.769 38.460 -0.079 0.000 0.989 256 Y HN -0.145 nan 8.280 nan 0.000 0.527 257 V N -0.682 119.209 119.914 -0.039 0.000 2.261 257 V HA -0.280 3.840 4.120 0.000 0.000 0.246 257 V C 1.463 177.554 176.094 -0.004 0.000 1.047 257 V CA 2.694 64.951 62.300 -0.072 0.000 1.015 257 V CB -0.671 31.054 31.823 -0.163 0.000 0.642 257 V HN 0.707 nan 8.190 nan 0.000 0.446 258 Y N -5.138 115.049 120.300 -0.188 0.000 2.673 258 Y HA 0.330 4.880 4.550 0.000 0.000 0.289 258 Y C 1.314 177.208 175.900 -0.010 0.000 0.975 258 Y CA -0.727 57.320 58.100 -0.089 0.000 1.163 258 Y CB -0.517 37.897 38.460 -0.075 0.000 1.425 258 Y HN 0.044 nan 8.280 nan 0.000 0.588 259 F N 2.817 122.474 119.950 -0.489 0.000 2.084 259 F HA 0.378 4.905 4.527 0.000 0.000 0.296 259 F C 1.741 177.560 175.800 0.032 0.000 1.111 259 F CA 1.010 58.882 58.000 -0.214 0.000 1.224 259 F CB -0.522 38.299 39.000 -0.299 0.000 0.991 259 F HN 0.145 nan 8.300 nan 0.000 0.471 260 A N 0.576 123.442 122.820 0.076 0.000 2.296 260 A HA 0.372 4.692 4.320 0.000 0.000 0.264 260 A C 0.285 177.820 177.584 -0.082 0.000 1.097 260 A CA -0.507 51.560 52.037 0.050 0.000 0.811 260 A CB 0.147 19.139 19.000 -0.013 0.000 1.072 260 A HN 0.345 nan 8.150 nan 0.000 0.495 261 R N 0.670 121.068 120.500 -0.170 0.000 2.490 261 R HA 0.231 4.571 4.340 0.000 0.000 0.278 261 R C -1.549 174.668 176.300 -0.139 0.000 1.069 261 R CA -1.474 54.451 56.100 -0.292 0.000 1.080 261 R CB 0.651 30.715 30.300 -0.394 0.000 1.030 261 R HN 0.555 nan 8.270 nan 0.000 0.491 262 P HA -0.150 nan 4.420 nan 0.000 0.222 262 P C -0.056 177.184 177.300 -0.101 0.000 1.147 262 P CA 1.218 64.286 63.100 -0.054 0.000 0.790 262 P CB 0.207 31.894 31.700 -0.021 0.000 0.780 263 D N -1.300 119.029 120.400 -0.117 0.000 2.340 263 D HA 0.027 4.667 4.640 0.000 0.000 0.220 263 D C 0.367 176.641 176.300 -0.044 0.000 1.039 263 D CA 0.073 54.020 54.000 -0.090 0.000 0.866 263 D CB -0.498 40.276 40.800 -0.044 0.000 0.913 263 D HN 0.002 nan 8.370 nan 0.000 0.523 264 S N -0.161 115.494 115.700 -0.076 0.000 2.610 264 S HA 0.441 4.911 4.470 0.000 0.000 0.273 264 S C -0.470 174.052 174.600 -0.131 0.000 1.274 264 S CA -0.494 57.715 58.200 0.016 0.000 1.023 264 S CB 0.521 63.738 63.200 0.028 0.000 0.962 264 S HN 0.062 nan 8.310 nan 0.000 0.523 265 F N 1.720 121.653 119.950 -0.029 0.000 2.382 265 F HA 0.492 5.019 4.527 0.000 0.000 0.361 265 F C -0.133 175.685 175.800 0.029 0.000 1.109 265 F CA -0.642 57.339 58.000 -0.031 0.000 1.031 265 F CB 0.530 39.416 39.000 -0.190 0.000 1.234 265 F HN 0.295 nan 8.300 nan 0.000 0.445 266 I N 3.699 124.395 120.570 0.210 0.000 2.330 266 I HA 0.226 4.396 4.170 0.000 0.000 0.289 266 I C -0.221 176.082 176.117 0.309 0.000 1.001 266 I CA -0.617 60.806 61.300 0.204 0.000 1.193 266 I CB 1.085 39.090 38.000 0.009 0.000 1.345 266 I HN 0.516 nan 8.210 nan 0.000 0.461 267 D N 6.498 127.057 120.400 0.266 0.000 2.697 267 D HA -0.197 4.443 4.640 0.000 0.000 0.238 267 D C 0.547 176.984 176.300 0.228 0.000 1.152 267 D CA 0.845 54.988 54.000 0.239 0.000 0.666 267 D CB -0.416 40.515 40.800 0.219 0.000 1.037 267 D HN 0.801 nan 8.370 nan 0.000 0.423 268 K N -2.063 118.478 120.400 0.236 0.000 3.426 268 K HA -0.233 4.087 4.320 0.000 0.000 0.315 268 K C 0.395 177.131 176.600 0.227 0.000 1.293 268 K CA 1.067 57.479 56.287 0.209 0.000 0.955 268 K CB -1.022 31.570 32.500 0.153 0.000 1.238 268 K HN 0.476 nan 8.250 nan 0.000 0.441 269 I N 1.142 121.858 120.570 0.243 0.000 2.378 269 I HA 0.078 4.249 4.170 0.000 0.000 0.291 269 I C 0.535 176.699 176.117 0.077 0.000 0.992 269 I CA -0.570 60.829 61.300 0.166 0.000 1.154 269 I CB 1.824 39.896 38.000 0.120 0.000 1.315 269 I HN -0.002 nan 8.210 nan 0.000 0.448 270 S N 4.752 120.391 115.700 -0.101 0.000 2.488 270 S HA 0.124 4.594 4.470 0.000 0.000 0.278 270 S C 1.218 175.704 174.600 -0.190 0.000 1.259 270 S CA -0.593 57.311 58.200 -0.494 0.000 1.061 270 S CB 0.832 63.767 63.200 -0.442 0.000 0.910 270 S HN 0.443 nan 8.310 nan 0.000 0.491 271 V N 6.320 126.147 119.914 -0.145 0.000 2.343 271 V HA -0.149 3.971 4.120 0.000 0.000 0.247 271 V C 1.841 177.945 176.094 0.017 0.000 1.051 271 V CA 2.171 64.495 62.300 0.040 0.000 1.036 271 V CB -1.241 30.587 31.823 0.008 0.000 0.654 271 V HN 1.005 nan 8.190 nan 0.000 0.451 272 Y N 1.544 121.748 120.300 -0.160 0.000 2.128 272 Y HA -0.248 4.302 4.550 0.000 0.000 0.284 272 Y C 2.723 178.564 175.900 -0.099 0.000 1.154 272 Y CA 1.879 59.906 58.100 -0.122 0.000 1.149 272 Y CB -0.587 37.790 38.460 -0.137 0.000 0.976 272 Y HN 0.216 nan 8.280 nan 0.000 0.505 273 S N 0.402 115.935 115.700 -0.280 0.000 2.383 273 S HA -0.136 4.334 4.470 0.000 0.000 0.227 273 S C 2.265 176.712 174.600 -0.256 0.000 1.026 273 S CA 0.951 58.941 58.200 -0.349 0.000 0.981 273 S CB -0.779 62.317 63.200 -0.174 0.000 0.818 273 S HN 0.641 nan 8.310 nan 0.000 0.472 274 A N 1.932 124.649 122.820 -0.171 0.000 1.933 274 A HA -0.089 4.231 4.320 0.000 0.000 0.218 274 A C 2.146 179.640 177.584 -0.151 0.000 1.175 274 A CA 1.140 53.082 52.037 -0.159 0.000 0.628 274 A CB -0.387 18.523 19.000 -0.151 0.000 0.814 274 A HN 0.408 nan 8.150 nan 0.000 0.444 275 R N -0.770 119.651 120.500 -0.133 0.000 2.092 275 R HA -0.043 4.297 4.340 0.000 0.000 0.231 275 R C 1.999 178.205 176.300 -0.157 0.000 1.119 275 R CA 1.283 57.319 56.100 -0.106 0.000 0.970 275 R CB -0.502 29.775 30.300 -0.038 0.000 0.864 275 R HN 0.383 nan 8.270 nan 0.000 0.440 276 V N 2.068 121.816 119.914 -0.277 0.000 2.343 276 V HA -0.258 3.862 4.120 0.000 0.000 0.247 276 V C 1.632 177.617 176.094 -0.181 0.000 1.051 276 V CA 1.779 63.917 62.300 -0.269 0.000 1.036 276 V CB -0.539 31.033 31.823 -0.418 0.000 0.654 276 V HN 0.338 nan 8.190 nan 0.000 0.451 277 N N -0.031 118.562 118.700 -0.178 0.000 2.205 277 N HA -0.154 4.586 4.740 0.000 0.000 0.186 277 N C 1.740 177.178 175.510 -0.120 0.000 1.015 277 N CA 1.560 54.527 53.050 -0.138 0.000 0.862 277 N CB -0.393 38.010 38.487 -0.139 0.000 0.986 277 N HN 0.466 nan 8.380 nan 0.000 0.429 278 M N -0.290 119.238 119.600 -0.120 0.000 2.132 278 M HA -0.021 4.460 4.480 0.000 0.000 0.263 278 M C 2.232 178.481 176.300 -0.084 0.000 1.065 278 M CA 1.561 56.800 55.300 -0.102 0.000 1.122 278 M CB -0.512 32.036 32.600 -0.087 0.000 1.365 278 M HN 0.161 nan 8.290 nan 0.000 0.411 279 G N -0.227 108.526 108.800 -0.079 0.000 2.408 279 G HA2 -0.161 3.799 3.960 0.000 0.000 0.217 279 G HA3 -0.161 3.799 3.960 0.000 0.000 0.217 279 G C 1.460 176.319 174.900 -0.067 0.000 1.150 279 G CA 1.359 46.422 45.100 -0.062 0.000 0.776 279 G HN 0.382 nan 8.290 nan 0.000 0.542 280 T N 1.164 115.670 114.554 -0.080 0.000 2.708 280 T HA -0.060 4.290 4.350 0.000 0.000 0.266 280 T C 2.401 177.058 174.700 -0.072 0.000 1.037 280 T CA 1.210 63.266 62.100 -0.073 0.000 1.146 280 T CB -0.073 68.747 68.868 -0.079 0.000 0.865 280 T HN 0.103 nan 8.240 nan 0.000 0.435 281 K N 0.922 121.274 120.400 -0.081 0.000 2.026 281 K HA 0.070 4.390 4.320 0.000 0.000 0.208 281 K C 2.248 178.795 176.600 -0.088 0.000 1.048 281 K CA 0.762 56.999 56.287 -0.083 0.000 0.929 281 K CB -0.958 31.487 32.500 -0.092 0.000 0.713 281 K HN 0.203 nan 8.250 nan 0.000 0.439 282 L N 0.996 122.165 121.223 -0.090 0.000 2.083 282 L HA -0.052 4.288 4.340 0.000 0.000 0.209 282 L C 2.115 178.919 176.870 -0.110 0.000 1.083 282 L CA 1.969 56.745 54.840 -0.105 0.000 0.752 282 L CB -1.069 40.935 42.059 -0.092 0.000 0.899 282 L HN 0.252 nan 8.230 nan 0.000 0.433 283 G N -1.304 107.448 108.800 -0.079 0.000 2.418 283 G HA2 -0.245 3.715 3.960 0.000 0.000 0.217 283 G HA3 -0.245 3.715 3.960 0.000 0.000 0.217 283 G C 1.465 176.325 174.900 -0.066 0.000 1.158 283 G CA 0.733 45.796 45.100 -0.062 0.000 0.771 283 G HN 0.496 nan 8.290 nan 0.000 0.545 284 E N 0.026 120.186 120.200 -0.067 0.000 2.110 284 E HA -0.093 4.257 4.350 0.000 0.000 0.193 284 E C 2.332 178.885 176.600 -0.078 0.000 0.988 284 E CA 1.035 57.398 56.400 -0.061 0.000 0.804 284 E CB -0.068 29.599 29.700 -0.056 0.000 0.745 284 E HN 0.474 nan 8.360 nan 0.000 0.458 285 K N 1.061 121.397 120.400 -0.107 0.000 2.057 285 K HA -0.146 4.174 4.320 0.000 0.000 0.207 285 K C 2.040 178.521 176.600 -0.198 0.000 1.049 285 K CA 1.118 57.321 56.287 -0.141 0.000 0.931 285 K CB -0.044 32.360 32.500 -0.161 0.000 0.714 285 K HN 0.054 nan 8.250 nan 0.000 0.440 286 I N 1.079 121.512 120.570 -0.228 0.000 2.179 286 I HA -0.232 3.938 4.170 0.000 0.000 0.242 286 I C 2.466 178.543 176.117 -0.067 0.000 1.088 286 I CA 1.170 62.314 61.300 -0.260 0.000 1.357 286 I CB -0.401 37.480 38.000 -0.198 0.000 1.051 286 I HN 0.255 nan 8.210 nan 0.000 0.409 287 A N 0.498 123.295 122.820 -0.038 0.000 2.024 287 A HA -0.233 4.088 4.320 0.000 0.000 0.220 287 A C 2.435 180.023 177.584 0.006 0.000 1.164 287 A CA 1.705 53.742 52.037 0.001 0.000 0.643 287 A CB -0.584 18.410 19.000 -0.009 0.000 0.806 287 A HN 0.399 nan 8.150 nan 0.000 0.451 288 R N -0.466 120.022 120.500 -0.020 0.000 2.075 288 R HA 0.002 4.342 4.340 0.000 0.000 0.220 288 R C 1.732 178.041 176.300 0.014 0.000 1.118 288 R CA 1.163 57.257 56.100 -0.010 0.000 0.986 288 R CB -0.124 30.158 30.300 -0.030 0.000 0.884 288 R HN 0.597 nan 8.270 nan 0.000 0.439 289 E N -1.091 119.101 120.200 -0.013 0.000 2.371 289 E HA -0.101 4.249 4.350 0.000 0.000 0.194 289 E C 0.120 176.902 176.600 0.303 0.000 1.012 289 E CA 0.345 56.777 56.400 0.053 0.000 0.860 289 E CB 0.305 29.958 29.700 -0.077 0.000 0.811 289 E HN 0.394 nan 8.360 nan 0.000 0.502 290 W N 1.706 122.971 121.300 -0.059 0.000 2.145 290 W HA 0.281 4.941 4.660 0.000 0.000 0.370 290 W C 0.708 177.175 176.519 -0.088 0.000 0.850 290 W CA -1.231 56.057 57.345 -0.094 0.000 2.615 290 W CB -0.116 29.259 29.460 -0.142 0.000 1.376 290 W HN 0.066 nan 8.180 nan 0.000 0.654 291 E N 0.172 120.453 120.200 0.134 0.000 2.070 291 E HA -0.214 4.136 4.350 0.000 0.000 0.197 291 E C 0.841 177.456 176.600 0.025 0.000 1.004 291 E CA 1.722 58.159 56.400 0.061 0.000 0.805 291 E CB 0.105 29.831 29.700 0.043 0.000 0.744 291 E HN 0.159 nan 8.360 nan 0.000 0.451 292 D N 0.209 120.613 120.400 0.007 0.000 2.340 292 D HA 0.049 4.689 4.640 0.000 0.000 0.220 292 D C 0.535 176.794 176.300 -0.068 0.000 1.039 292 D CA 0.247 54.232 54.000 -0.024 0.000 0.866 292 D CB 0.238 41.025 40.800 -0.021 0.000 0.913 292 D HN 0.126 nan 8.370 nan 0.000 0.523 293 L N 1.510 122.660 121.223 -0.121 0.000 2.417 293 L HA 0.094 4.434 4.340 0.000 0.000 0.268 293 L C 0.400 177.186 176.870 -0.139 0.000 1.158 293 L CA -0.098 54.607 54.840 -0.225 0.000 0.819 293 L CB 0.709 42.452 42.059 -0.528 0.000 1.112 293 L HN -0.282 nan 8.230 nan 0.000 0.458 294 D N 4.019 124.358 120.400 -0.101 0.000 2.380 294 D HA 0.332 4.972 4.640 0.000 0.000 0.230 294 D C -0.253 176.043 176.300 -0.007 0.000 1.154 294 D CA -0.023 53.958 54.000 -0.032 0.000 0.859 294 D CB 1.404 42.206 40.800 0.002 0.000 1.045 294 D HN 0.104 nan 8.370 nan 0.000 0.495 295 I N 2.326 122.891 120.570 -0.008 0.000 2.406 295 I HA 0.128 4.298 4.170 0.000 0.000 0.290 295 I C 0.896 177.034 176.117 0.034 0.000 0.999 295 I CA -0.459 60.861 61.300 0.033 0.000 1.124 295 I CB 2.028 40.041 38.000 0.023 0.000 1.289 295 I HN 0.182 nan 8.210 nan 0.000 0.441 296 D N 3.783 124.207 120.400 0.041 0.000 2.338 296 D HA 0.111 4.751 4.640 0.000 0.000 0.208 296 D C 0.395 176.695 176.300 0.000 0.000 0.997 296 D CA 0.974 54.983 54.000 0.015 0.000 0.880 296 D CB 1.724 42.528 40.800 0.005 0.000 0.980 296 D HN 0.263 nan 8.370 nan 0.000 0.509 297 V N 0.336 120.250 119.914 0.001 0.000 3.167 297 V HA 0.287 4.407 4.120 0.000 0.000 0.293 297 V C -1.761 174.329 176.094 -0.008 0.000 1.379 297 V CA -0.746 61.538 62.300 -0.026 0.000 1.019 297 V CB 2.490 34.254 31.823 -0.098 0.000 1.115 297 V HN -0.245 nan 8.190 nan 0.000 0.442 298 V N 6.257 126.166 119.914 -0.008 0.000 2.398 298 V HA 0.606 4.726 4.120 0.000 0.000 0.286 298 V C -0.274 175.766 176.094 -0.090 0.000 1.026 298 V CA -0.334 61.980 62.300 0.022 0.000 0.868 298 V CB 1.466 33.346 31.823 0.096 0.000 0.982 298 V HN 0.647 nan 8.190 nan 0.000 0.443 299 I N 7.501 128.032 120.570 -0.065 0.000 2.439 299 I HA 0.404 4.574 4.170 0.000 0.000 0.285 299 I C -2.404 173.730 176.117 0.028 0.000 1.021 299 I CA -1.894 59.323 61.300 -0.137 0.000 1.091 299 I CB 2.856 40.756 38.000 -0.168 0.000 1.242 299 I HN 0.444 nan 8.210 nan 0.000 0.439 300 P HA 0.295 nan 4.420 nan 0.000 0.276 300 P C -0.660 176.742 177.300 0.169 0.000 1.244 300 P CA -0.248 62.922 63.100 0.117 0.000 0.801 300 P CB 1.493 33.289 31.700 0.160 0.000 1.006 301 I N 3.268 123.910 120.570 0.120 0.000 2.307 301 I HA 0.230 4.400 4.170 0.000 0.000 0.289 301 I C -2.080 174.052 176.117 0.024 0.000 1.021 301 I CA -2.668 58.658 61.300 0.043 0.000 1.224 301 I CB 1.112 39.081 38.000 -0.051 0.000 1.376 301 I HN 0.111 nan 8.210 nan 0.000 0.470 302 P HA 0.022 nan 4.420 nan 0.000 0.268 302 P C -0.219 177.072 177.300 -0.015 0.000 1.208 302 P CA 0.239 63.356 63.100 0.028 0.000 0.777 302 P CB 0.660 32.386 31.700 0.043 0.000 0.875 303 E N -0.460 119.733 120.200 -0.012 0.000 2.399 303 E HA -0.010 4.340 4.350 0.000 0.000 0.205 303 E C 1.408 178.024 176.600 0.027 0.000 0.906 303 E CA 0.270 56.678 56.400 0.013 0.000 0.998 303 E CB -0.522 29.176 29.700 -0.003 0.000 1.002 303 E HN 0.330 nan 8.360 nan 0.000 0.501 304 T N 1.157 115.721 114.554 0.017 0.000 2.665 304 T HA -0.168 4.182 4.350 0.000 0.000 0.268 304 T C 1.977 176.710 174.700 0.056 0.000 1.035 304 T CA 1.748 63.872 62.100 0.039 0.000 1.151 304 T CB -0.276 68.625 68.868 0.055 0.000 0.862 304 T HN 0.048 nan 8.240 nan 0.000 0.438 305 S N 0.478 116.210 115.700 0.053 0.000 2.507 305 S HA -0.070 4.400 4.470 0.000 0.000 0.235 305 S C 2.344 177.012 174.600 0.114 0.000 0.988 305 S CA 0.360 58.602 58.200 0.071 0.000 0.944 305 S CB -0.708 62.529 63.200 0.062 0.000 0.762 305 S HN 0.602 nan 8.310 nan 0.000 0.526 306 C N 2.227 121.607 119.300 0.133 0.000 2.398 306 C HA -0.135 4.325 4.460 0.000 0.000 0.276 306 C C 2.449 177.525 174.990 0.144 0.000 1.222 306 C CA 0.497 59.645 59.018 0.215 0.000 1.746 306 C CB -1.120 26.736 27.740 0.193 0.000 2.039 306 C HN 0.607 nan 8.230 nan 0.000 0.470 307 D N 0.590 121.040 120.400 0.084 0.000 2.123 307 D HA -0.044 4.596 4.640 0.000 0.000 0.200 307 D C 1.992 178.295 176.300 0.004 0.000 0.976 307 D CA 1.122 55.146 54.000 0.041 0.000 0.831 307 D CB -0.254 40.627 40.800 0.136 0.000 0.974 307 D HN 0.508 nan 8.370 nan 0.000 0.469 308 I N 1.640 122.226 120.570 0.027 0.000 2.179 308 I HA -0.248 3.922 4.170 0.000 0.000 0.242 308 I C 2.653 178.788 176.117 0.031 0.000 1.088 308 I CA 1.035 62.339 61.300 0.007 0.000 1.357 308 I CB -0.283 37.727 38.000 0.017 0.000 1.051 308 I HN -0.092 nan 8.210 nan 0.000 0.409 309 A N 0.567 123.446 122.820 0.097 0.000 1.969 309 A HA -0.174 4.146 4.320 0.000 0.000 0.218 309 A C 2.233 179.924 177.584 0.179 0.000 1.169 309 A CA 1.225 53.362 52.037 0.167 0.000 0.635 309 A CB -0.635 18.519 19.000 0.257 0.000 0.810 309 A HN 0.384 nan 8.150 nan 0.000 0.445 310 L N 0.033 121.270 121.223 0.024 0.000 2.017 310 L HA -0.129 4.211 4.340 0.000 0.000 0.208 310 L C 2.246 179.058 176.870 -0.097 0.000 1.073 310 L CA 2.758 57.453 54.840 -0.241 0.000 0.745 310 L CB -0.636 41.130 42.059 -0.488 0.000 0.894 310 L HN 0.468 nan 8.230 nan 0.000 0.432 311 E N -0.058 120.100 120.200 -0.070 0.000 2.077 311 E HA -0.217 4.133 4.350 0.000 0.000 0.193 311 E C 2.089 178.672 176.600 -0.029 0.000 0.989 311 E CA 1.892 58.256 56.400 -0.060 0.000 0.800 311 E CB -0.422 29.233 29.700 -0.076 0.000 0.746 311 E HN 0.623 nan 8.360 nan 0.000 0.452 312 I N 0.349 120.917 120.570 -0.003 0.000 2.179 312 I HA -0.291 3.879 4.170 0.000 0.000 0.242 312 I C 2.382 178.517 176.117 0.029 0.000 1.088 312 I CA 1.168 62.473 61.300 0.010 0.000 1.357 312 I CB -0.431 37.585 38.000 0.025 0.000 1.051 312 I HN 0.219 nan 8.210 nan 0.000 0.409 313 A N 0.520 123.377 122.820 0.062 0.000 1.933 313 A HA -0.245 4.075 4.320 0.000 0.000 0.218 313 A C 2.443 180.049 177.584 0.037 0.000 1.175 313 A CA 1.684 53.767 52.037 0.076 0.000 0.628 313 A CB -0.634 18.456 19.000 0.150 0.000 0.814 313 A HN 0.341 nan 8.150 nan 0.000 0.444 314 R N -0.478 120.027 120.500 0.009 0.000 2.070 314 R HA -0.115 4.225 4.340 0.000 0.000 0.233 314 R C 1.934 178.230 176.300 -0.007 0.000 1.137 314 R CA 1.712 57.807 56.100 -0.008 0.000 0.945 314 R CB -0.322 29.960 30.300 -0.030 0.000 0.845 314 R HN 0.431 nan 8.270 nan 0.000 0.430 315 I N 1.455 122.018 120.570 -0.012 0.000 2.163 315 I HA -0.281 3.889 4.170 0.000 0.000 0.243 315 I C 2.235 178.349 176.117 -0.004 0.000 1.085 315 I CA 1.446 62.737 61.300 -0.014 0.000 1.347 315 I CB -0.996 36.989 38.000 -0.024 0.000 1.044 315 I HN 0.313 nan 8.210 nan 0.000 0.408 316 L N 0.382 121.609 121.223 0.007 0.000 2.551 316 L HA 0.034 4.375 4.340 0.000 0.000 0.228 316 L C 1.446 178.326 176.870 0.016 0.000 1.153 316 L CA 0.668 55.517 54.840 0.015 0.000 0.851 316 L CB -0.914 41.163 42.059 0.030 0.000 0.959 316 L HN 0.520 nan 8.230 nan 0.000 0.451 317 G N 0.877 109.685 108.800 0.014 0.000 2.249 317 G HA2 -0.246 3.714 3.960 0.000 0.000 0.273 317 G HA3 -0.246 3.714 3.960 0.000 0.000 0.273 317 G C 0.089 175.001 174.900 0.019 0.000 1.036 317 G CA 0.231 45.339 45.100 0.013 0.000 0.824 317 G HN 0.227 nan 8.290 nan 0.000 0.504 318 K N 0.036 120.454 120.400 0.030 0.000 2.281 318 K HA 0.597 4.917 4.320 0.000 0.000 0.242 318 K C -2.351 174.277 176.600 0.047 0.000 0.971 318 K CA -2.112 54.195 56.287 0.034 0.000 0.834 318 K CB 2.239 34.763 32.500 0.040 0.000 1.181 318 K HN 0.099 nan 8.250 nan 0.000 0.435 319 P HA 0.107 nan 4.420 nan 0.000 0.275 319 P C -1.039 176.312 177.300 0.085 0.000 1.228 319 P CA -0.231 62.901 63.100 0.053 0.000 0.786 319 P CB 0.410 32.120 31.700 0.017 0.000 0.927 320 Y N 3.571 123.858 120.300 -0.021 0.000 2.328 320 Y HA 0.485 5.035 4.550 0.000 0.000 0.337 320 Y C -0.312 175.565 175.900 -0.039 0.000 1.008 320 Y CA -0.557 57.530 58.100 -0.022 0.000 1.129 320 Y CB 1.065 39.519 38.460 -0.009 0.000 1.185 320 Y HN 0.219 nan 8.280 nan 0.000 0.476 321 R N 4.778 124.964 120.500 -0.524 0.000 2.673 321 R HA 0.160 4.500 4.340 0.000 0.000 0.281 321 R C -1.257 174.696 176.300 -0.579 0.000 0.991 321 R CA -0.990 54.846 56.100 -0.440 0.000 0.896 321 R CB 1.898 32.024 30.300 -0.291 0.000 1.201 321 R HN 0.859 nan 8.270 nan 0.000 0.457 322 Q N 1.563 121.139 119.800 -0.374 0.000 2.641 322 Q HA 0.143 4.483 4.340 0.000 0.000 0.225 322 Q C 0.425 176.274 176.000 -0.251 0.000 1.309 322 Q CA 0.098 55.748 55.803 -0.256 0.000 0.935 322 Q CB 0.171 28.853 28.738 -0.094 0.000 1.557 322 Q HN 0.872 nan 8.270 nan 0.000 0.563 323 G N 2.891 111.472 108.800 -0.365 0.000 2.551 323 G HA2 -0.022 3.938 3.960 0.000 0.000 0.216 323 G HA3 -0.022 3.938 3.960 0.000 0.000 0.216 323 G C -0.127 174.556 174.900 -0.363 0.000 1.137 323 G CA 0.038 44.785 45.100 -0.587 0.000 0.798 323 G HN 0.472 nan 8.290 nan 0.000 0.536 324 F N 0.007 119.983 119.950 0.043 0.000 2.507 324 F HA 0.592 5.119 4.527 0.000 0.000 0.325 324 F C -0.418 175.406 175.800 0.038 0.000 1.116 324 F CA -1.317 56.740 58.000 0.095 0.000 0.930 324 F CB 2.542 41.605 39.000 0.105 0.000 1.146 324 F HN -0.272 nan 8.300 nan 0.000 0.447 325 V N 3.671 123.742 119.914 0.263 0.000 2.409 325 V HA 0.309 4.429 4.120 0.000 0.000 0.291 325 V C -0.105 176.059 176.094 0.117 0.000 1.020 325 V CA -1.264 61.122 62.300 0.144 0.000 0.848 325 V CB 1.606 33.490 31.823 0.102 0.000 0.990 325 V HN 0.616 nan 8.190 nan 0.000 0.430 326 K N 4.108 124.552 120.400 0.072 0.000 2.339 326 K HA 0.204 4.524 4.320 0.000 0.000 0.286 326 K C -0.005 176.608 176.600 0.020 0.000 1.050 326 K CA -0.442 55.863 56.287 0.029 0.000 0.956 326 K CB 0.385 32.886 32.500 0.001 0.000 0.990 326 K HN 0.621 nan 8.250 nan 0.000 0.475 327 N N 4.155 122.867 118.700 0.020 0.000 2.399 327 N HA -0.010 4.730 4.740 0.000 0.000 0.259 327 N C 0.670 176.166 175.510 -0.023 0.000 1.160 327 N CA 0.170 53.240 53.050 0.033 0.000 0.946 327 N CB 1.130 39.648 38.487 0.052 0.000 1.156 327 N HN 0.602 nan 8.380 nan 0.000 0.489 328 R N 2.436 122.883 120.500 -0.088 0.000 2.152 328 R HA -0.079 4.261 4.340 0.000 0.000 0.232 328 R C -0.345 175.690 176.300 -0.443 0.000 1.117 328 R CA 1.249 57.155 56.100 -0.323 0.000 0.981 328 R CB 0.151 30.137 30.300 -0.525 0.000 0.870 328 R HN 0.484 nan 8.270 nan 0.000 0.451 329 Y N -0.205 120.100 120.300 0.008 0.000 2.334 329 Y HA 0.393 4.943 4.550 0.000 0.000 0.336 329 Y C -0.532 175.369 175.900 0.002 0.000 0.960 329 Y CA -0.984 57.120 58.100 0.006 0.000 1.164 329 Y CB 1.836 40.304 38.460 0.013 0.000 1.155 329 Y HN -0.310 nan 8.280 nan 0.000 0.478 330 V N 2.886 122.866 119.914 0.110 0.000 2.628 330 V HA 0.842 4.962 4.120 0.000 0.000 0.306 330 V C 0.358 176.480 176.094 0.047 0.000 1.045 330 V CA -0.715 61.619 62.300 0.057 0.000 0.905 330 V CB 1.746 33.573 31.823 0.007 0.000 0.997 330 V HN 0.933 nan 8.190 nan 0.000 0.436 331 G N 3.083 111.899 108.800 0.026 0.000 2.820 331 G HA2 0.698 4.658 3.960 0.000 0.000 0.291 331 G HA3 0.698 4.658 3.960 0.000 0.000 0.291 331 G C -0.573 174.280 174.900 -0.078 0.000 1.323 331 G CA -0.980 44.121 45.100 0.001 0.000 1.055 331 G HN 0.810 nan 8.290 nan 0.000 0.520 332 R N -1.569 118.821 120.500 -0.184 0.000 2.607 332 R HA 0.686 5.026 4.340 0.000 0.000 0.261 332 R C -0.981 175.037 176.300 -0.470 0.000 1.051 332 R CA -0.550 55.346 56.100 -0.340 0.000 1.110 332 R CB 0.756 30.779 30.300 -0.462 0.000 1.158 332 R HN 0.318 nan 8.270 nan 0.000 0.543 333 T N 1.482 115.782 114.554 -0.423 0.000 2.794 333 T HA 0.425 4.775 4.350 0.000 0.000 0.280 333 T C -0.805 173.673 174.700 -0.370 0.000 0.987 333 T CA -0.399 61.532 62.100 -0.282 0.000 0.993 333 T CB 0.466 69.264 68.868 -0.117 0.000 0.939 333 T HN 0.288 nan 8.240 nan 0.000 0.449 334 F N 1.804 121.754 119.950 -0.001 0.000 2.404 334 F HA 0.499 5.026 4.527 0.000 0.000 0.339 334 F C 0.641 176.440 175.800 -0.001 0.000 1.105 334 F CA -1.296 56.703 58.000 -0.001 0.000 1.087 334 F CB 0.724 39.723 39.000 -0.000 0.000 1.143 334 F HN 0.395 nan 8.300 nan 0.000 0.491 335 I N 5.121 125.799 120.570 0.179 0.000 2.260 335 I HA 0.131 4.301 4.170 0.000 0.000 0.297 335 I C -0.296 175.881 176.117 0.099 0.000 1.143 335 I CA 0.080 61.439 61.300 0.099 0.000 1.271 335 I CB -0.234 37.804 38.000 0.064 0.000 1.461 335 I HN 0.373 nan 8.210 nan 0.000 0.530 336 M N 6.590 126.241 119.600 0.084 0.000 2.478 336 M HA 0.466 4.946 4.480 0.000 0.000 0.327 336 M C -2.339 173.979 176.300 0.030 0.000 1.187 336 M CA -2.375 52.955 55.300 0.050 0.000 1.022 336 M CB 0.680 33.303 32.600 0.039 0.000 1.629 336 M HN 0.069 nan 8.290 nan 0.000 0.461 337 P HA 0.308 nan 4.420 nan 0.000 0.271 337 P C 0.809 178.115 177.300 0.009 0.000 1.226 337 P CA 0.636 63.743 63.100 0.012 0.000 0.765 337 P CB 0.582 32.285 31.700 0.006 0.000 0.835 338 G N 2.468 111.273 108.800 0.009 0.000 2.458 338 G HA2 -0.278 3.682 3.960 0.000 0.000 0.237 338 G HA3 -0.278 3.682 3.960 0.000 0.000 0.237 338 G C 0.120 175.026 174.900 0.009 0.000 1.113 338 G CA -0.247 44.857 45.100 0.007 0.000 0.655 338 G HN 0.602 nan 8.290 nan 0.000 0.513 339 Q N 1.346 121.154 119.800 0.013 0.000 2.332 339 Q HA 0.438 4.778 4.340 0.000 0.000 0.263 339 Q C 0.178 176.189 176.000 0.018 0.000 0.979 339 Q CA 0.027 55.840 55.803 0.016 0.000 0.885 339 Q CB 0.555 29.306 28.738 0.021 0.000 1.218 339 Q HN 0.599 nan 8.270 nan 0.000 0.405 340 Q N 1.673 121.482 119.800 0.015 0.000 2.296 340 Q HA 0.137 4.477 4.340 0.000 0.000 0.262 340 Q C -0.723 175.287 176.000 0.018 0.000 0.981 340 Q CA -0.366 55.445 55.803 0.014 0.000 0.905 340 Q CB 0.611 29.355 28.738 0.010 0.000 1.186 340 Q HN 0.370 nan 8.270 nan 0.000 0.399 341 L N 3.065 124.299 121.223 0.017 0.000 2.342 341 L HA 0.344 4.684 4.340 0.000 0.000 0.285 341 L C -0.126 176.750 176.870 0.010 0.000 1.095 341 L CA 0.651 55.503 54.840 0.019 0.000 0.843 341 L CB -0.074 41.995 42.059 0.017 0.000 1.201 341 L HN 0.620 nan 8.230 nan 0.000 0.445 342 R N 3.231 123.738 120.500 0.011 0.000 2.758 342 R HA 0.919 5.259 4.340 0.000 0.000 0.265 342 R C 0.531 176.831 176.300 0.001 0.000 1.016 342 R CA -0.127 55.976 56.100 0.005 0.000 1.040 342 R CB -0.066 30.238 30.300 0.006 0.000 1.152 342 R HN 1.297 nan 8.270 nan 0.000 0.503 343 R N 0.968 121.466 120.500 -0.003 0.000 3.649 343 R HA -0.165 4.175 4.340 0.000 0.000 0.099 343 R C 0.238 176.530 176.300 -0.012 0.000 0.796 343 R CA 1.672 57.767 56.100 -0.008 0.000 0.692 343 R CB -1.360 28.936 30.300 -0.007 0.000 1.266 343 R HN 1.111 nan 8.270 nan 0.000 0.196 344 K N 2.506 122.897 120.400 -0.016 0.000 2.264 344 K HA 0.446 4.766 4.320 0.000 0.000 0.277 344 K C -0.815 175.771 176.600 -0.022 0.000 1.067 344 K CA -0.037 56.237 56.287 -0.022 0.000 0.900 344 K CB 0.847 33.334 32.500 -0.022 0.000 1.124 344 K HN 0.736 nan 8.250 nan 0.000 0.469 345 S N 2.213 117.899 115.700 -0.023 0.000 2.621 345 S HA 0.262 4.732 4.470 0.000 0.000 0.302 345 S C 0.736 175.317 174.600 -0.032 0.000 1.093 345 S CA -0.921 57.264 58.200 -0.025 0.000 1.017 345 S CB 1.939 65.129 63.200 -0.017 0.000 1.077 345 S HN 0.430 nan 8.310 nan 0.000 0.517 346 V N 1.654 121.544 119.914 -0.040 0.000 3.354 346 V HA 0.109 4.229 4.120 0.000 0.000 0.258 346 V C 2.245 178.310 176.094 -0.049 0.000 1.159 346 V CA 0.848 63.114 62.300 -0.058 0.000 1.125 346 V CB -0.470 31.303 31.823 -0.084 0.000 0.774 346 V HN 0.732 nan 8.190 nan 0.000 0.464 347 R N 0.147 120.630 120.500 -0.028 0.000 2.189 347 R HA -0.064 4.276 4.340 0.000 0.000 0.223 347 R C 2.347 178.649 176.300 0.003 0.000 1.092 347 R CA 0.836 56.933 56.100 -0.006 0.000 0.989 347 R CB 0.012 30.313 30.300 0.002 0.000 0.876 347 R HN 0.276 nan 8.270 nan 0.000 0.457 348 R N 0.290 120.787 120.500 -0.006 0.000 2.148 348 R HA -0.046 4.294 4.340 0.000 0.000 0.223 348 R C 1.376 177.676 176.300 -0.000 0.000 1.088 348 R CA 1.232 57.332 56.100 0.001 0.000 0.985 348 R CB 0.065 30.360 30.300 -0.009 0.000 0.880 348 R HN 0.262 nan 8.270 nan 0.000 0.451 349 K N -0.750 119.640 120.400 -0.017 0.000 2.354 349 K HA 0.158 4.478 4.320 0.000 0.000 0.194 349 K C 0.030 176.617 176.600 -0.022 0.000 1.045 349 K CA 0.070 56.343 56.287 -0.025 0.000 1.026 349 K CB 0.588 33.060 32.500 -0.046 0.000 0.866 349 K HN -0.133 nan 8.250 nan 0.000 0.530 350 L N 0.626 121.839 121.223 -0.017 0.000 2.445 350 L HA 0.372 4.712 4.340 0.000 0.000 0.262 350 L C -1.871 175.046 176.870 0.078 0.000 0.974 350 L CA -0.629 54.214 54.840 0.004 0.000 0.822 350 L CB 2.183 44.173 42.059 -0.115 0.000 1.339 350 L HN -0.122 nan 8.230 nan 0.000 0.409 351 N N 2.001 120.796 118.700 0.159 0.000 2.269 351 N HA 0.820 5.560 4.740 0.000 0.000 0.304 351 N C -1.304 174.397 175.510 0.319 0.000 1.072 351 N CA -0.277 52.883 53.050 0.184 0.000 0.802 351 N CB 2.199 40.758 38.487 0.120 0.000 1.348 351 N HN 0.736 nan 8.380 nan 0.000 0.484 352 A N 2.547 125.521 122.820 0.257 0.000 2.274 352 A HA 0.318 4.639 4.320 0.000 0.000 0.309 352 A C -0.262 177.399 177.584 0.129 0.000 1.226 352 A CA -0.656 51.491 52.037 0.184 0.000 0.853 352 A CB 0.083 19.080 19.000 -0.005 0.000 1.146 352 A HN 0.736 nan 8.150 nan 0.000 0.518 353 N N 2.626 121.394 118.700 0.114 0.000 2.399 353 N HA 0.034 4.774 4.740 0.000 0.000 0.259 353 N C 1.173 176.747 175.510 0.106 0.000 1.160 353 N CA -0.031 53.050 53.050 0.052 0.000 0.946 353 N CB 0.260 38.725 38.487 -0.035 0.000 1.156 353 N HN 0.697 nan 8.380 nan 0.000 0.489 354 R N 2.964 123.519 120.500 0.092 0.000 2.112 354 R HA -0.209 4.131 4.340 0.000 0.000 0.242 354 R C 1.737 178.092 176.300 0.091 0.000 1.137 354 R CA 2.126 58.288 56.100 0.102 0.000 0.944 354 R CB -0.545 29.782 30.300 0.044 0.000 0.857 354 R HN 0.623 nan 8.270 nan 0.000 0.435 355 A N 1.291 124.125 122.820 0.023 0.000 2.131 355 A HA -0.156 4.164 4.320 0.000 0.000 0.220 355 A C 1.619 179.162 177.584 -0.068 0.000 1.158 355 A CA 1.317 53.345 52.037 -0.015 0.000 0.665 355 A CB -0.179 18.805 19.000 -0.027 0.000 0.795 355 A HN 0.219 nan 8.150 nan 0.000 0.460 356 E N -1.500 118.613 120.200 -0.146 0.000 2.478 356 E HA 0.056 4.406 4.350 0.000 0.000 0.194 356 E C 0.611 176.892 176.600 -0.531 0.000 1.045 356 E CA 0.467 56.651 56.400 -0.361 0.000 0.868 356 E CB -0.111 29.278 29.700 -0.518 0.000 0.885 356 E HN 0.788 nan 8.360 nan 0.000 0.505 357 F N 0.042 119.910 119.950 -0.135 0.000 2.680 357 F HA 0.219 4.746 4.527 0.000 0.000 0.290 357 F C 1.201 176.953 175.800 -0.079 0.000 1.114 357 F CA -0.548 57.380 58.000 -0.121 0.000 1.333 357 F CB 0.263 39.176 39.000 -0.145 0.000 1.091 357 F HN -0.269 nan 8.300 nan 0.000 0.606 358 R N 2.383 122.942 120.500 0.098 0.000 2.549 358 R HA -0.121 4.219 4.340 0.000 0.000 0.336 358 R C -0.339 175.974 176.300 0.022 0.000 0.891 358 R CA 0.704 56.832 56.100 0.048 0.000 1.102 358 R CB -0.496 29.819 30.300 0.024 0.000 0.899 358 R HN 0.231 nan 8.270 nan 0.000 0.407 359 D N 2.296 122.709 120.400 0.022 0.000 2.751 359 D HA -0.197 4.443 4.640 0.000 0.000 0.233 359 D C -0.847 175.459 176.300 0.009 0.000 1.149 359 D CA 1.383 55.389 54.000 0.010 0.000 0.682 359 D CB -0.443 40.359 40.800 0.003 0.000 1.068 359 D HN 0.572 nan 8.370 nan 0.000 0.429 360 K N -0.016 120.396 120.400 0.019 0.000 2.340 360 K HA 0.406 4.726 4.320 0.000 0.000 0.244 360 K C -0.056 176.564 176.600 0.034 0.000 0.973 360 K CA -0.860 55.437 56.287 0.016 0.000 0.828 360 K CB 1.377 33.871 32.500 -0.010 0.000 1.226 360 K HN -0.152 nan 8.250 nan 0.000 0.437 361 N N 1.948 120.678 118.700 0.050 0.000 2.439 361 N HA 0.173 4.914 4.740 0.000 0.000 0.249 361 N C -0.695 174.890 175.510 0.125 0.000 1.003 361 N CA -0.350 52.757 53.050 0.095 0.000 0.942 361 N CB 1.465 40.050 38.487 0.163 0.000 1.115 361 N HN 0.348 nan 8.380 nan 0.000 0.505 362 V N 0.411 120.399 119.914 0.124 0.000 2.483 362 V HA 0.559 4.680 4.120 0.000 0.000 0.295 362 V C -0.137 176.092 176.094 0.224 0.000 1.035 362 V CA -1.070 61.310 62.300 0.133 0.000 0.896 362 V CB 1.620 33.520 31.823 0.129 0.000 0.986 362 V HN 0.389 nan 8.190 nan 0.000 0.447 363 L N 6.174 127.521 121.223 0.207 0.000 2.264 363 L HA 0.574 4.914 4.340 0.000 0.000 0.287 363 L C -0.501 176.485 176.870 0.193 0.000 1.039 363 L CA -0.153 54.845 54.840 0.263 0.000 0.829 363 L CB 0.547 42.751 42.059 0.241 0.000 1.211 363 L HN 0.732 nan 8.230 nan 0.000 0.427 364 L N 5.677 127.029 121.223 0.214 0.000 2.350 364 L HA 0.550 4.890 4.340 0.000 0.000 0.275 364 L C -0.505 176.454 176.870 0.148 0.000 1.099 364 L CA -0.819 54.141 54.840 0.198 0.000 0.808 364 L CB 1.577 43.776 42.059 0.234 0.000 1.149 364 L HN 0.327 nan 8.230 nan 0.000 0.442 365 V N 1.581 121.568 119.914 0.122 0.000 2.495 365 V HA 0.453 4.573 4.120 0.000 0.000 0.298 365 V C -0.639 175.491 176.094 0.061 0.000 1.031 365 V CA -0.589 61.759 62.300 0.081 0.000 0.871 365 V CB 2.001 33.874 31.823 0.083 0.000 0.988 365 V HN 0.645 nan 8.190 nan 0.000 0.432 366 D N 1.437 121.855 120.400 0.030 0.000 2.490 366 D HA 0.322 4.962 4.640 0.000 0.000 0.232 366 D C 0.495 176.808 176.300 0.022 0.000 1.053 366 D CA -0.413 53.594 54.000 0.012 0.000 0.914 366 D CB 2.509 43.303 40.800 -0.009 0.000 1.431 366 D HN 0.712 nan 8.370 nan 0.000 0.483 367 D N -0.121 120.287 120.400 0.014 0.000 2.178 367 D HA -0.020 4.620 4.640 0.000 0.000 0.202 367 D C 0.325 176.700 176.300 0.124 0.000 0.974 367 D CA 0.748 54.781 54.000 0.056 0.000 0.841 367 D CB 0.141 40.965 40.800 0.040 0.000 0.953 367 D HN 0.252 nan 8.370 nan 0.000 0.478 368 S N -1.450 114.321 115.700 0.117 0.000 2.643 368 S HA 0.500 4.970 4.470 0.000 0.000 0.266 368 S C -1.559 173.158 174.600 0.195 0.000 1.130 368 S CA -1.227 57.116 58.200 0.238 0.000 0.817 368 S CB 0.734 64.175 63.200 0.401 0.000 1.107 368 S HN 0.138 nan 8.310 nan 0.000 0.471 369 I N 1.652 122.394 120.570 0.288 0.000 2.499 369 I HA 0.487 4.657 4.170 0.000 0.000 0.288 369 I C -0.115 176.145 176.117 0.239 0.000 1.048 369 I CA -0.791 60.652 61.300 0.240 0.000 1.062 369 I CB 1.923 40.103 38.000 0.300 0.000 1.238 369 I HN 0.585 nan 8.210 nan 0.000 0.426 370 V N 5.162 125.175 119.914 0.165 0.000 3.405 370 V HA 0.169 4.289 4.120 0.000 0.000 0.211 370 V C 1.852 177.997 176.094 0.084 0.000 1.151 370 V CA 0.246 62.622 62.300 0.127 0.000 1.323 370 V CB -0.223 31.675 31.823 0.125 0.000 1.357 370 V HN 0.680 nan 8.190 nan 0.000 0.506 371 R N 0.416 120.954 120.500 0.064 0.000 2.153 371 R HA 0.194 4.534 4.340 0.000 0.000 0.218 371 R C 1.701 178.029 176.300 0.047 0.000 1.072 371 R CA 0.961 57.087 56.100 0.042 0.000 0.990 371 R CB -0.138 30.179 30.300 0.028 0.000 0.889 371 R HN 0.783 nan 8.270 nan 0.000 0.452 372 G N -0.037 108.797 108.800 0.056 0.000 2.199 372 G HA2 -0.324 3.637 3.960 0.000 0.000 0.254 372 G HA3 -0.324 3.637 3.960 0.000 0.000 0.254 372 G C 0.960 175.875 174.900 0.026 0.000 0.982 372 G CA 0.793 45.925 45.100 0.054 0.000 0.632 372 G HN 0.344 nan 8.290 nan 0.000 0.529 373 T N 1.224 115.787 114.554 0.015 0.000 2.674 373 T HA -0.131 4.219 4.350 0.000 0.000 0.265 373 T C 2.796 177.487 174.700 -0.015 0.000 1.039 373 T CA 3.365 65.465 62.100 -0.000 0.000 1.150 373 T CB -0.877 67.990 68.868 -0.002 0.000 0.864 373 T HN 1.070 nan 8.240 nan 0.000 0.427 374 T N 1.322 115.863 114.554 -0.022 0.000 2.708 374 T HA -0.114 4.236 4.350 0.000 0.000 0.266 374 T C 2.259 176.923 174.700 -0.061 0.000 1.037 374 T CA 1.599 63.669 62.100 -0.049 0.000 1.146 374 T CB -0.844 67.987 68.868 -0.061 0.000 0.865 374 T HN 0.327 nan 8.240 nan 0.000 0.435 375 S N 1.464 117.140 115.700 -0.040 0.000 2.387 375 S HA -0.153 4.317 4.470 0.000 0.000 0.230 375 S C 2.011 176.593 174.600 -0.030 0.000 1.035 375 S CA 1.273 59.452 58.200 -0.036 0.000 1.014 375 S CB -0.497 62.700 63.200 -0.006 0.000 0.836 375 S HN 0.556 nan 8.310 nan 0.000 0.466 376 E N 1.257 121.445 120.200 -0.019 0.000 2.051 376 E HA -0.188 4.162 4.350 0.000 0.000 0.192 376 E C 2.209 178.791 176.600 -0.031 0.000 0.991 376 E CA 1.201 57.591 56.400 -0.017 0.000 0.799 376 E CB -0.148 29.546 29.700 -0.009 0.000 0.748 376 E HN 0.614 nan 8.360 nan 0.000 0.449 377 Q N -0.079 119.697 119.800 -0.041 0.000 2.123 377 Q HA -0.069 4.271 4.340 0.000 0.000 0.199 377 Q C 2.339 178.300 176.000 -0.066 0.000 0.966 377 Q CA 0.930 56.703 55.803 -0.050 0.000 0.845 377 Q CB 0.032 28.739 28.738 -0.051 0.000 0.907 377 Q HN 0.334 nan 8.270 nan 0.000 0.439 378 I N 0.288 120.801 120.570 -0.095 0.000 2.179 378 I HA -0.283 3.887 4.170 0.000 0.000 0.242 378 I C 2.058 178.163 176.117 -0.020 0.000 1.088 378 I CA 1.131 62.347 61.300 -0.139 0.000 1.357 378 I CB -0.185 37.663 38.000 -0.253 0.000 1.051 378 I HN 0.196 nan 8.210 nan 0.000 0.409 379 I N 0.573 121.134 120.570 -0.015 0.000 2.286 379 I HA -0.308 3.862 4.170 0.000 0.000 0.248 379 I C 2.637 178.732 176.117 -0.036 0.000 1.115 379 I CA 1.438 62.737 61.300 -0.002 0.000 1.392 379 I CB -0.344 37.648 38.000 -0.014 0.000 1.065 379 I HN 0.303 nan 8.210 nan 0.000 0.418 380 E N 1.014 121.189 120.200 -0.042 0.000 2.077 380 E HA -0.255 4.095 4.350 0.000 0.000 0.193 380 E C 2.365 178.921 176.600 -0.074 0.000 0.989 380 E CA 1.356 57.724 56.400 -0.053 0.000 0.800 380 E CB -0.041 29.633 29.700 -0.043 0.000 0.746 380 E HN 0.421 nan 8.360 nan 0.000 0.452 381 M N 0.218 119.780 119.600 -0.063 0.000 2.159 381 M HA -0.148 4.332 4.480 0.000 0.000 0.263 381 M C 2.418 178.564 176.300 -0.257 0.000 1.063 381 M CA 1.405 56.653 55.300 -0.086 0.000 1.110 381 M CB -0.154 32.461 32.600 0.025 0.000 1.374 381 M HN 0.213 nan 8.290 nan 0.000 0.411 382 A N 0.663 123.313 122.820 -0.284 0.000 1.902 382 A HA -0.166 4.154 4.320 0.000 0.000 0.217 382 A C 2.147 179.516 177.584 -0.359 0.000 1.181 382 A CA 1.534 53.195 52.037 -0.627 0.000 0.623 382 A CB -0.574 18.286 19.000 -0.233 0.000 0.818 382 A HN 0.439 nan 8.150 nan 0.000 0.443 383 R N -0.414 119.978 120.500 -0.180 0.000 2.073 383 R HA -0.134 4.206 4.340 0.000 0.000 0.234 383 R C 2.115 178.348 176.300 -0.110 0.000 1.134 383 R CA 1.563 57.595 56.100 -0.114 0.000 0.952 383 R CB -0.424 29.826 30.300 -0.082 0.000 0.850 383 R HN 0.666 nan 8.270 nan 0.000 0.433 384 E N 0.669 120.797 120.200 -0.120 0.000 2.130 384 E HA -0.178 4.172 4.350 0.000 0.000 0.196 384 E C 1.699 178.240 176.600 -0.099 0.000 0.998 384 E CA 1.271 57.615 56.400 -0.093 0.000 0.806 384 E CB -0.085 29.565 29.700 -0.082 0.000 0.738 384 E HN 0.363 nan 8.360 nan 0.000 0.459 385 A N -0.052 122.665 122.820 -0.172 0.000 2.235 385 A HA 0.209 4.529 4.320 0.000 0.000 0.208 385 A C 1.599 179.171 177.584 -0.020 0.000 1.172 385 A CA 0.872 52.836 52.037 -0.121 0.000 0.786 385 A CB -0.328 18.511 19.000 -0.268 0.000 0.804 385 A HN 0.353 nan 8.150 nan 0.000 0.479 386 G N -2.310 106.469 108.800 -0.035 0.000 2.144 386 G HA2 0.140 4.100 3.960 0.000 0.000 0.218 386 G HA3 0.140 4.100 3.960 0.000 0.000 0.218 386 G C 0.345 175.259 174.900 0.024 0.000 0.988 386 G CA 0.130 45.230 45.100 0.001 0.000 0.659 386 G HN 1.544 nan 8.290 nan 0.000 0.522 387 A N -0.071 122.765 122.820 0.028 0.000 2.425 387 A HA 0.685 5.005 4.320 0.000 0.000 0.249 387 A C 1.266 178.847 177.584 -0.005 0.000 1.084 387 A CA 1.060 53.129 52.037 0.055 0.000 0.781 387 A CB 0.473 19.530 19.000 0.094 0.000 1.019 387 A HN 0.364 nan 8.150 nan 0.000 0.490 388 K N 1.053 121.448 120.400 -0.008 0.000 2.035 388 K HA 0.071 4.391 4.320 0.000 0.000 0.213 388 K C 0.009 176.558 176.600 -0.084 0.000 1.027 388 K CA 0.602 56.868 56.287 -0.035 0.000 0.950 388 K CB -0.182 32.308 32.500 -0.017 0.000 0.790 388 K HN 0.514 nan 8.250 nan 0.000 0.448 389 K N 1.915 122.248 120.400 -0.112 0.000 2.156 389 K HA 0.330 4.650 4.320 0.000 0.000 0.271 389 K C -0.722 175.646 176.600 -0.388 0.000 0.995 389 K CA -0.400 55.706 56.287 -0.301 0.000 0.890 389 K CB 2.010 34.330 32.500 -0.300 0.000 1.073 389 K HN -0.055 nan 8.250 nan 0.000 0.454 390 V N 4.412 124.008 119.914 -0.531 0.000 2.407 390 V HA 0.350 4.470 4.120 0.000 0.000 0.291 390 V C -1.106 174.688 176.094 -0.500 0.000 1.018 390 V CA -0.951 61.146 62.300 -0.338 0.000 0.842 390 V CB 0.583 32.327 31.823 -0.131 0.000 0.996 390 V HN 0.545 nan 8.190 nan 0.000 0.426 391 Y N 4.610 124.928 120.300 0.030 0.000 2.487 391 Y HA 0.811 5.361 4.550 0.000 0.000 0.337 391 Y C -0.272 175.717 175.900 0.148 0.000 1.076 391 Y CA -1.184 56.949 58.100 0.055 0.000 1.115 391 Y CB 1.962 40.410 38.460 -0.019 0.000 1.235 391 Y HN 0.531 nan 8.280 nan 0.000 0.468 392 L N 2.127 123.550 121.223 0.334 0.000 2.410 392 L HA 0.937 5.277 4.340 0.000 0.000 0.270 392 L C -1.192 175.753 176.870 0.126 0.000 0.983 392 L CA -0.797 54.154 54.840 0.184 0.000 0.822 392 L CB 1.635 43.737 42.059 0.071 0.000 1.285 392 L HN 0.695 nan 8.230 nan 0.000 0.409 393 A N 2.796 125.639 122.820 0.039 0.000 2.355 393 A HA 0.773 5.093 4.320 0.000 0.000 0.317 393 A C -0.918 176.600 177.584 -0.110 0.000 1.094 393 A CA -0.419 51.563 52.037 -0.093 0.000 0.764 393 A CB 1.509 20.462 19.000 -0.080 0.000 1.230 393 A HN 0.728 nan 8.150 nan 0.000 0.448 394 S N 1.720 117.308 115.700 -0.186 0.000 2.433 394 S HA 0.510 4.980 4.470 0.000 0.000 0.310 394 S C 1.128 175.735 174.600 0.011 0.000 1.097 394 S CA 0.049 58.204 58.200 -0.074 0.000 1.103 394 S CB 1.107 64.252 63.200 -0.092 0.000 0.992 394 S HN 1.572 nan 8.310 nan 0.000 0.469 395 A N 4.365 127.206 122.820 0.034 0.000 2.019 395 A HA 0.372 4.692 4.320 0.000 0.000 0.219 395 A C 1.195 178.800 177.584 0.035 0.000 1.164 395 A CA 1.305 53.355 52.037 0.023 0.000 0.644 395 A CB -0.653 18.366 19.000 0.031 0.000 0.805 395 A HN 1.158 nan 8.150 nan 0.000 0.449 396 A N -0.732 122.161 122.820 0.121 0.000 2.311 396 A HA 0.699 5.019 4.320 0.000 0.000 0.334 396 A C -2.690 175.003 177.584 0.181 0.000 1.139 396 A CA -1.937 50.174 52.037 0.123 0.000 0.830 396 A CB 0.606 19.828 19.000 0.369 0.000 1.234 396 A HN 0.144 nan 8.150 nan 0.000 0.483 397 P HA 0.262 nan 4.420 nan 0.000 0.286 397 P C -0.634 176.730 177.300 0.107 0.000 1.293 397 P CA -0.333 62.758 63.100 -0.015 0.000 0.770 397 P CB 0.293 31.820 31.700 -0.287 0.000 1.206 398 E N -0.208 119.835 120.200 -0.263 0.000 2.414 398 E HA 0.095 4.445 4.350 0.000 0.000 0.263 398 E C -0.307 176.345 176.600 0.087 0.000 1.000 398 E CA 0.621 56.772 56.400 -0.414 0.000 0.914 398 E CB -0.369 28.992 29.700 -0.564 0.000 0.948 398 E HN 0.242 nan 8.360 nan 0.000 0.444 399 I N 4.014 124.645 120.570 0.101 0.000 2.307 399 I HA 0.193 4.363 4.170 0.000 0.000 0.287 399 I C 0.974 177.069 176.117 -0.036 0.000 1.054 399 I CA -0.099 61.256 61.300 0.092 0.000 1.218 399 I CB 0.553 38.619 38.000 0.110 0.000 1.398 399 I HN 0.439 nan 8.210 nan 0.000 0.475 400 R N 3.816 124.253 120.500 -0.105 0.000 2.279 400 R HA 0.288 4.628 4.340 0.000 0.000 0.195 400 R C -0.482 175.465 176.300 -0.588 0.000 0.905 400 R CA 0.392 56.267 56.100 -0.376 0.000 1.044 400 R CB 0.481 30.396 30.300 -0.642 0.000 1.056 400 R HN 0.306 nan 8.270 nan 0.000 0.535 401 F N 1.498 121.440 119.950 -0.013 0.000 2.561 401 F HA 0.447 4.974 4.527 0.000 0.000 0.321 401 F C -2.108 173.632 175.800 -0.099 0.000 1.065 401 F CA -3.290 54.694 58.000 -0.026 0.000 0.934 401 F CB 1.055 40.064 39.000 0.015 0.000 1.215 401 F HN -0.258 nan 8.300 nan 0.000 0.471 402 P HA 0.007 nan 4.420 nan 0.000 0.275 402 P C -1.011 176.286 177.300 -0.005 0.000 1.228 402 P CA -0.266 62.821 63.100 -0.023 0.000 0.786 402 P CB 0.883 32.544 31.700 -0.065 0.000 0.927 403 N N 2.118 120.733 118.700 -0.142 0.000 2.434 403 N HA 0.149 4.889 4.740 0.000 0.000 0.272 403 N C 0.443 175.854 175.510 -0.165 0.000 1.040 403 N CA -0.325 52.619 53.050 -0.177 0.000 0.956 403 N CB 1.014 39.313 38.487 -0.313 0.000 1.108 403 N HN 0.161 nan 8.380 nan 0.000 0.481 404 V N 2.041 121.818 119.914 -0.228 0.000 3.214 404 V HA 0.327 4.447 4.120 0.000 0.000 0.330 404 V C -0.306 175.684 176.094 -0.172 0.000 1.403 404 V CA -0.091 62.082 62.300 -0.210 0.000 1.143 404 V CB -0.989 30.726 31.823 -0.179 0.000 1.098 404 V HN 0.482 nan 8.190 nan 0.000 0.463 405 Y N 1.504 121.831 120.300 0.045 0.000 2.584 405 Y HA 0.729 5.279 4.550 0.000 0.000 0.254 405 Y C 1.754 177.631 175.900 -0.039 0.000 1.177 405 Y CA -0.669 57.450 58.100 0.031 0.000 1.216 405 Y CB 0.860 39.333 38.460 0.020 0.000 1.172 405 Y HN 0.409 nan 8.280 nan 0.000 0.529 406 G N -0.648 108.171 108.800 0.031 0.000 2.480 406 G HA2 -0.169 3.791 3.960 0.000 0.000 0.193 406 G HA3 -0.169 3.791 3.960 0.000 0.000 0.193 406 G C -0.093 174.670 174.900 -0.228 0.000 1.004 406 G CA -0.544 44.506 45.100 -0.082 0.000 0.696 406 G HN 0.015 nan 8.290 nan 0.000 0.478 407 I N 2.420 122.813 120.570 -0.295 0.000 2.371 407 I HA 0.312 4.482 4.170 0.000 0.000 0.290 407 I C -0.074 175.823 176.117 -0.368 0.000 1.028 407 I CA -0.594 60.419 61.300 -0.479 0.000 1.345 407 I CB 1.153 38.819 38.000 -0.557 0.000 1.407 407 I HN 0.200 nan 8.210 nan 0.000 0.501 408 D N 7.505 127.675 120.400 -0.383 0.000 2.371 408 D HA 0.303 4.943 4.640 0.000 0.000 0.256 408 D C -0.528 175.686 176.300 -0.144 0.000 1.193 408 D CA 0.152 54.040 54.000 -0.186 0.000 0.881 408 D CB 0.625 41.407 40.800 -0.029 0.000 1.143 408 D HN 0.160 nan 8.370 nan 0.000 0.473 409 M N 4.068 123.594 119.600 -0.124 0.000 2.550 409 M HA 0.403 4.883 4.480 0.000 0.000 0.292 409 M C -2.424 173.829 176.300 -0.079 0.000 1.221 409 M CA -2.049 53.182 55.300 -0.114 0.000 0.873 409 M CB 1.891 34.377 32.600 -0.189 0.000 1.727 409 M HN 0.294 nan 8.290 nan 0.000 0.459 410 P HA 0.292 nan 4.420 nan 0.000 0.277 410 P C -0.511 176.731 177.300 -0.097 0.000 1.271 410 P CA -0.303 62.761 63.100 -0.060 0.000 0.795 410 P CB 0.230 31.909 31.700 -0.037 0.000 1.101 411 S N -0.924 114.713 115.700 -0.105 0.000 2.579 411 S HA 0.216 4.686 4.470 0.000 0.000 0.275 411 S C 1.605 176.099 174.600 -0.176 0.000 1.345 411 S CA -0.043 58.074 58.200 -0.138 0.000 1.031 411 S CB 0.040 63.164 63.200 -0.128 0.000 0.892 411 S HN 0.602 nan 8.310 nan 0.000 0.529 412 A N 2.310 124.973 122.820 -0.262 0.000 1.971 412 A HA -0.157 4.164 4.320 0.000 0.000 0.222 412 A C 2.223 179.553 177.584 -0.424 0.000 1.182 412 A CA 2.419 54.158 52.037 -0.497 0.000 0.649 412 A CB -2.018 16.499 19.000 -0.806 0.000 0.818 412 A HN 0.952 nan 8.150 nan 0.000 0.458 413 T N 0.008 114.424 114.554 -0.231 0.000 2.833 413 T HA -0.115 4.235 4.350 0.000 0.000 0.269 413 T C 1.403 176.076 174.700 -0.044 0.000 1.054 413 T CA 1.496 63.546 62.100 -0.084 0.000 1.135 413 T CB -0.255 68.579 68.868 -0.055 0.000 0.869 413 T HN 0.728 nan 8.240 nan 0.000 0.466 414 E N 0.592 120.754 120.200 -0.064 0.000 2.489 414 E HA 0.155 4.505 4.350 0.000 0.000 0.193 414 E C -0.130 176.457 176.600 -0.021 0.000 1.057 414 E CA -0.031 56.348 56.400 -0.034 0.000 0.866 414 E CB -0.034 29.644 29.700 -0.036 0.000 0.916 414 E HN 0.474 nan 8.360 nan 0.000 0.500 415 L N 1.869 123.072 121.223 -0.034 0.000 2.261 415 L HA 0.214 4.554 4.340 0.000 0.000 0.289 415 L C 1.404 178.292 176.870 0.029 0.000 1.059 415 L CA -0.236 54.598 54.840 -0.010 0.000 0.816 415 L CB 0.896 42.925 42.059 -0.051 0.000 1.191 415 L HN 0.097 nan 8.230 nan 0.000 0.431 416 I N 2.763 123.359 120.570 0.043 0.000 2.185 416 I HA -0.359 3.811 4.170 0.000 0.000 0.246 416 I C 2.353 178.497 176.117 0.045 0.000 1.088 416 I CA 1.879 63.212 61.300 0.054 0.000 1.347 416 I CB 0.355 38.400 38.000 0.076 0.000 1.041 416 I HN 0.835 nan 8.210 nan 0.000 0.415 417 A N -0.976 121.862 122.820 0.030 0.000 2.168 417 A HA -0.180 4.140 4.320 0.000 0.000 0.215 417 A C 1.331 178.867 177.584 -0.079 0.000 1.152 417 A CA 0.283 52.297 52.037 -0.038 0.000 0.716 417 A CB -0.815 18.113 19.000 -0.119 0.000 0.794 417 A HN 0.606 nan 8.150 nan 0.000 0.465 418 H N 0.105 119.083 119.070 -0.154 0.000 3.082 418 H HA 0.276 4.832 4.556 0.000 0.000 0.275 418 H C 1.309 176.554 175.328 -0.139 0.000 1.032 418 H CA 0.985 56.905 56.048 -0.213 0.000 1.477 418 H CB -0.032 29.603 29.762 -0.212 0.000 1.520 418 H HN 0.502 nan 8.280 nan 0.000 0.521 419 G N 4.981 113.440 108.800 -0.568 0.000 2.148 419 G HA2 -0.248 3.712 3.960 0.000 0.000 0.254 419 G HA3 -0.248 3.712 3.960 0.000 0.000 0.254 419 G C 0.091 174.884 174.900 -0.179 0.000 0.981 419 G CA 0.188 45.050 45.100 -0.397 0.000 0.670 419 G HN 0.668 nan 8.290 nan 0.000 0.528 420 R N -0.207 120.213 120.500 -0.133 0.000 2.744 420 R HA 0.535 4.875 4.340 0.000 0.000 0.279 420 R C -0.438 175.835 176.300 -0.045 0.000 0.977 420 R CA -0.996 55.068 56.100 -0.060 0.000 0.906 420 R CB 1.506 31.794 30.300 -0.020 0.000 1.197 420 R HN 0.205 nan 8.270 nan 0.000 0.463 421 E N 0.940 121.135 120.200 -0.009 0.000 2.280 421 E HA 0.097 4.447 4.350 0.000 0.000 0.261 421 E C 1.175 177.815 176.600 0.066 0.000 1.088 421 E CA -0.366 56.041 56.400 0.013 0.000 0.915 421 E CB 1.362 31.076 29.700 0.023 0.000 1.141 421 E HN 0.231 nan 8.360 nan 0.000 0.433 422 V N 1.004 120.983 119.914 0.109 0.000 2.252 422 V HA -0.324 3.796 4.120 0.000 0.000 0.249 422 V C 1.960 178.170 176.094 0.193 0.000 1.056 422 V CA 2.515 64.954 62.300 0.231 0.000 1.022 422 V CB -0.599 31.390 31.823 0.276 0.000 0.641 422 V HN 0.748 nan 8.190 nan 0.000 0.445 423 D N -0.536 119.947 120.400 0.138 0.000 2.123 423 D HA -0.234 4.406 4.640 0.000 0.000 0.196 423 D C 2.259 178.614 176.300 0.091 0.000 0.992 423 D CA 1.573 55.641 54.000 0.113 0.000 0.833 423 D CB -0.079 40.774 40.800 0.088 0.000 0.954 423 D HN 0.582 nan 8.370 nan 0.000 0.455 424 E N -0.335 119.910 120.200 0.076 0.000 2.072 424 E HA -0.157 4.193 4.350 0.000 0.000 0.191 424 E C 2.197 178.840 176.600 0.072 0.000 0.985 424 E CA 0.726 57.161 56.400 0.059 0.000 0.801 424 E CB -0.054 29.669 29.700 0.039 0.000 0.750 424 E HN 0.398 nan 8.360 nan 0.000 0.452 425 I N 0.733 121.365 120.570 0.103 0.000 2.226 425 I HA -0.285 3.885 4.170 0.000 0.000 0.245 425 I C 2.879 179.067 176.117 0.118 0.000 1.100 425 I CA 1.090 62.468 61.300 0.129 0.000 1.374 425 I CB -0.344 37.791 38.000 0.225 0.000 1.057 425 I HN 0.109 nan 8.210 nan 0.000 0.413 426 R N 0.877 121.453 120.500 0.127 0.000 2.091 426 R HA -0.225 4.115 4.340 0.000 0.000 0.238 426 R C 2.262 178.599 176.300 0.061 0.000 1.136 426 R CA 1.770 57.928 56.100 0.098 0.000 0.959 426 R CB -0.157 30.212 30.300 0.115 0.000 0.856 426 R HN 0.474 nan 8.270 nan 0.000 0.437 427 Q N -0.040 119.794 119.800 0.055 0.000 2.119 427 Q HA -0.115 4.225 4.340 0.000 0.000 0.201 427 Q C 2.236 178.252 176.000 0.027 0.000 0.972 427 Q CA 1.427 57.250 55.803 0.034 0.000 0.847 427 Q CB -0.011 28.745 28.738 0.031 0.000 0.903 427 Q HN 0.441 nan 8.270 nan 0.000 0.433 428 I N 1.192 121.783 120.570 0.035 0.000 2.179 428 I HA -0.257 3.913 4.170 0.000 0.000 0.242 428 I C 2.393 178.525 176.117 0.024 0.000 1.088 428 I CA 1.173 62.490 61.300 0.029 0.000 1.357 428 I CB -0.398 37.624 38.000 0.037 0.000 1.051 428 I HN 0.287 nan 8.210 nan 0.000 0.409 429 I N -0.864 119.725 120.570 0.032 0.000 3.291 429 I HA 0.196 4.366 4.170 0.000 0.000 0.279 429 I C 1.354 177.474 176.117 0.006 0.000 1.294 429 I CA 0.786 62.098 61.300 0.021 0.000 1.428 429 I CB -0.653 37.365 38.000 0.031 0.000 1.070 429 I HN 0.349 nan 8.210 nan 0.000 0.478 430 G N 1.717 110.521 108.800 0.005 0.000 2.198 430 G HA2 -0.185 3.775 3.960 0.000 0.000 0.257 430 G HA3 -0.185 3.775 3.960 0.000 0.000 0.257 430 G C 0.238 175.122 174.900 -0.027 0.000 1.042 430 G CA 0.166 45.259 45.100 -0.011 0.000 0.791 430 G HN 0.977 nan 8.290 nan 0.000 0.502 431 A N -0.730 122.080 122.820 -0.016 0.000 2.279 431 A HA 0.688 5.008 4.320 0.000 0.000 0.303 431 A C 1.072 178.615 177.584 -0.070 0.000 1.108 431 A CA 0.224 52.236 52.037 -0.041 0.000 0.830 431 A CB 0.632 19.637 19.000 0.009 0.000 1.106 431 A HN 0.167 nan 8.150 nan 0.000 0.493 432 D N 0.301 120.589 120.400 -0.188 0.000 2.323 432 D HA 0.175 4.815 4.640 0.000 0.000 0.209 432 D C 0.707 176.975 176.300 -0.055 0.000 0.973 432 D CA 1.527 55.387 54.000 -0.233 0.000 0.874 432 D CB 0.456 40.913 40.800 -0.573 0.000 0.930 432 D HN 0.705 nan 8.370 nan 0.000 0.521 433 G N 0.505 109.344 108.800 0.065 0.000 2.702 433 G HA2 0.452 4.412 3.960 0.000 0.000 0.296 433 G HA3 0.452 4.412 3.960 0.000 0.000 0.296 433 G C -2.217 172.916 174.900 0.389 0.000 1.463 433 G CA -0.543 44.711 45.100 0.256 0.000 0.890 433 G HN 0.029 nan 8.290 nan 0.000 0.534 434 L N 1.652 123.154 121.223 0.464 0.000 2.464 434 L HA 0.892 5.232 4.340 0.000 0.000 0.266 434 L C -1.328 175.674 176.870 0.220 0.000 0.965 434 L CA -0.912 54.094 54.840 0.276 0.000 0.833 434 L CB 1.835 43.951 42.059 0.094 0.000 1.296 434 L HN 0.655 nan 8.230 nan 0.000 0.405 435 I N 3.880 124.392 120.570 -0.097 0.000 2.607 435 I HA 0.538 4.708 4.170 0.000 0.000 0.290 435 I C -1.536 174.380 176.117 -0.334 0.000 1.129 435 I CA -0.320 60.821 61.300 -0.265 0.000 1.042 435 I CB 1.503 39.037 38.000 -0.777 0.000 1.242 435 I HN 0.548 nan 8.210 nan 0.000 0.421 436 F N 4.426 124.325 119.950 -0.085 0.000 2.507 436 F HA 0.477 5.004 4.527 0.000 0.000 0.327 436 F C 0.274 176.013 175.800 -0.103 0.000 1.068 436 F CA -0.503 57.462 58.000 -0.058 0.000 0.965 436 F CB 1.455 40.447 39.000 -0.013 0.000 1.192 436 F HN 0.403 nan 8.300 nan 0.000 0.476 437 Q N 1.571 121.431 119.800 0.100 0.000 2.364 437 Q HA 0.090 4.430 4.340 0.000 0.000 0.267 437 Q C -1.087 174.892 176.000 -0.036 0.000 0.999 437 Q CA 0.002 55.793 55.803 -0.020 0.000 0.886 437 Q CB 0.445 29.147 28.738 -0.059 0.000 1.243 437 Q HN 0.378 nan 8.270 nan 0.000 0.415 438 D N 3.010 123.369 120.400 -0.069 0.000 2.345 438 D HA -0.014 4.626 4.640 0.000 0.000 0.247 438 D C 0.802 177.024 176.300 -0.131 0.000 1.108 438 D CA -0.229 53.725 54.000 -0.077 0.000 0.894 438 D CB 1.099 41.860 40.800 -0.065 0.000 1.203 438 D HN 0.597 nan 8.370 nan 0.000 0.430 439 L N 3.988 125.123 121.223 -0.147 0.000 2.013 439 L HA -0.226 4.114 4.340 0.000 0.000 0.212 439 L C 1.839 178.620 176.870 -0.149 0.000 1.073 439 L CA 1.776 56.493 54.840 -0.204 0.000 0.753 439 L CB -0.746 41.233 42.059 -0.134 0.000 0.890 439 L HN 0.524 nan 8.230 nan 0.000 0.432 440 N N -1.627 117.019 118.700 -0.089 0.000 2.364 440 N HA -0.207 4.533 4.740 0.000 0.000 0.183 440 N C 1.176 176.637 175.510 -0.082 0.000 1.022 440 N CA 1.557 54.569 53.050 -0.064 0.000 0.883 440 N CB -0.608 37.856 38.487 -0.038 0.000 0.965 440 N HN 0.399 nan 8.380 nan 0.000 0.438 441 D N 0.553 120.892 120.400 -0.102 0.000 2.162 441 D HA -0.030 4.610 4.640 0.000 0.000 0.203 441 D C 2.003 178.218 176.300 -0.141 0.000 0.967 441 D CA 0.185 54.122 54.000 -0.106 0.000 0.840 441 D CB -0.182 40.559 40.800 -0.098 0.000 0.972 441 D HN 0.189 nan 8.370 nan 0.000 0.482 442 L N 0.920 122.032 121.223 -0.184 0.000 2.017 442 L HA -0.074 4.266 4.340 0.000 0.000 0.208 442 L C 2.019 178.720 176.870 -0.281 0.000 1.073 442 L CA 1.407 56.104 54.840 -0.239 0.000 0.745 442 L CB -0.660 41.208 42.059 -0.318 0.000 0.894 442 L HN -0.023 nan 8.230 nan 0.000 0.432 443 I N -0.008 120.411 120.570 -0.252 0.000 2.163 443 I HA -0.325 3.845 4.170 0.000 0.000 0.243 443 I C 1.970 177.995 176.117 -0.154 0.000 1.085 443 I CA 1.635 62.788 61.300 -0.245 0.000 1.347 443 I CB -0.584 37.385 38.000 -0.051 0.000 1.044 443 I HN 0.307 nan 8.210 nan 0.000 0.408 444 D N 0.869 121.209 120.400 -0.101 0.000 2.178 444 D HA -0.093 4.547 4.640 0.000 0.000 0.202 444 D C 2.235 178.475 176.300 -0.100 0.000 0.974 444 D CA 1.329 55.289 54.000 -0.067 0.000 0.841 444 D CB -0.197 40.570 40.800 -0.055 0.000 0.953 444 D HN 0.360 nan 8.370 nan 0.000 0.478 445 A N 0.548 123.280 122.820 -0.146 0.000 1.902 445 A HA -0.125 4.195 4.320 0.000 0.000 0.217 445 A C 2.459 179.930 177.584 -0.189 0.000 1.181 445 A CA 1.221 53.165 52.037 -0.156 0.000 0.623 445 A CB -0.577 18.323 19.000 -0.167 0.000 0.818 445 A HN 0.157 nan 8.150 nan 0.000 0.443 446 V N -0.476 119.270 119.914 -0.280 0.000 2.346 446 V HA -0.134 3.986 4.120 0.000 0.000 0.244 446 V C 2.571 178.568 176.094 -0.162 0.000 1.037 446 V CA 1.933 64.004 62.300 -0.382 0.000 1.029 446 V CB -0.749 30.607 31.823 -0.778 0.000 0.663 446 V HN 0.638 nan 8.190 nan 0.000 0.454 447 R N 0.569 121.060 120.500 -0.016 0.000 2.120 447 R HA -0.146 4.194 4.340 0.000 0.000 0.234 447 R C 2.234 178.556 176.300 0.037 0.000 1.123 447 R CA 1.498 57.684 56.100 0.144 0.000 0.975 447 R CB -0.473 29.947 30.300 0.200 0.000 0.866 447 R HN 0.484 nan 8.270 nan 0.000 0.446 448 A N 0.958 123.768 122.820 -0.016 0.000 1.986 448 A HA -0.181 4.139 4.320 0.000 0.000 0.220 448 A C 1.760 179.335 177.584 -0.016 0.000 1.171 448 A CA 1.648 53.671 52.037 -0.022 0.000 0.640 448 A CB -0.345 18.627 19.000 -0.046 0.000 0.811 448 A HN 0.357 nan 8.150 nan 0.000 0.451 449 E N -0.676 119.509 120.200 -0.025 0.000 2.208 449 E HA -0.071 4.279 4.350 0.000 0.000 0.193 449 E C 0.122 176.740 176.600 0.030 0.000 0.988 449 E CA 0.761 57.159 56.400 -0.005 0.000 0.828 449 E CB -0.138 29.546 29.700 -0.027 0.000 0.763 449 E HN 0.609 nan 8.360 nan 0.000 0.478 450 N N -0.183 118.537 118.700 0.035 0.000 2.732 450 N HA 0.080 4.820 4.740 0.000 0.000 0.247 450 N C -2.412 173.116 175.510 0.030 0.000 1.305 450 N CA -1.391 51.685 53.050 0.044 0.000 0.762 450 N CB 1.219 39.746 38.487 0.065 0.000 1.361 450 N HN -0.260 nan 8.380 nan 0.000 0.545 451 P HA -0.030 nan 4.420 nan 0.000 0.231 451 P C 0.049 177.342 177.300 -0.012 0.000 1.158 451 P CA 0.706 63.812 63.100 0.009 0.000 0.763 451 P CB 0.542 32.246 31.700 0.007 0.000 0.805 452 D N -0.156 120.234 120.400 -0.016 0.000 2.269 452 D HA -0.019 4.621 4.640 0.000 0.000 0.208 452 D C 0.996 177.250 176.300 -0.076 0.000 0.963 452 D CA 0.613 54.593 54.000 -0.032 0.000 0.864 452 D CB -0.059 40.732 40.800 -0.015 0.000 0.936 452 D HN 0.184 nan 8.370 nan 0.000 0.505 453 I N 2.069 122.567 120.570 -0.121 0.000 2.452 453 I HA -0.005 4.165 4.170 0.000 0.000 0.287 453 I C 1.449 177.409 176.117 -0.262 0.000 1.079 453 I CA 0.117 61.251 61.300 -0.277 0.000 1.387 453 I CB 1.221 38.901 38.000 -0.534 0.000 1.404 453 I HN -0.127 nan 8.210 nan 0.000 0.522 454 Q N 4.669 124.334 119.800 -0.227 0.000 2.226 454 Q HA 0.141 4.481 4.340 0.000 0.000 0.199 454 Q C 0.095 176.009 176.000 -0.144 0.000 0.945 454 Q CA 0.968 56.690 55.803 -0.136 0.000 0.861 454 Q CB 0.477 29.162 28.738 -0.087 0.000 0.953 454 Q HN 0.648 nan 8.270 nan 0.000 0.490 455 Q N -0.561 119.101 119.800 -0.230 0.000 2.345 455 Q HA 0.477 4.817 4.340 0.000 0.000 0.275 455 Q C -1.242 174.607 176.000 -0.253 0.000 1.063 455 Q CA -0.399 55.325 55.803 -0.132 0.000 0.819 455 Q CB 2.053 30.770 28.738 -0.035 0.000 1.356 455 Q HN -0.029 nan 8.270 nan 0.000 0.418 456 F N 0.255 120.222 119.950 0.028 0.000 2.518 456 F HA 0.284 4.811 4.527 0.000 0.000 0.338 456 F C 0.779 176.614 175.800 0.058 0.000 1.065 456 F CA -0.864 57.170 58.000 0.057 0.000 1.012 456 F CB 0.878 39.930 39.000 0.087 0.000 1.297 456 F HN 0.341 nan 8.300 nan 0.000 0.489 457 E N 0.639 121.008 120.200 0.281 0.000 2.129 457 E HA 0.195 4.545 4.350 0.000 0.000 0.283 457 E C -0.709 176.022 176.600 0.218 0.000 1.080 457 E CA 0.058 56.564 56.400 0.176 0.000 0.867 457 E CB 0.631 30.402 29.700 0.119 0.000 1.056 457 E HN 0.709 nan 8.360 nan 0.000 0.404 458 C N 3.019 122.420 119.300 0.168 0.000 3.115 458 C HA 0.073 4.533 4.460 0.000 0.000 0.277 458 C C 2.125 177.133 174.990 0.029 0.000 1.460 458 C CA 0.120 59.272 59.018 0.223 0.000 1.789 458 C CB -1.402 26.495 27.740 0.262 0.000 2.674 458 C HN 0.747 nan 8.230 nan 0.000 0.582 459 S N 2.072 117.675 115.700 -0.161 0.000 2.380 459 S HA -0.216 4.254 4.470 0.000 0.000 0.229 459 S C 1.822 176.195 174.600 -0.380 0.000 1.043 459 S CA 2.114 60.023 58.200 -0.485 0.000 1.038 459 S CB -1.049 61.623 63.200 -0.880 0.000 0.872 459 S HN 0.807 nan 8.310 nan 0.000 0.456 460 V N -1.933 117.751 119.914 -0.384 0.000 2.867 460 V HA 0.029 4.149 4.120 0.000 0.000 0.260 460 V C 1.880 177.864 176.094 -0.183 0.000 1.099 460 V CA 1.274 63.354 62.300 -0.367 0.000 1.122 460 V CB -1.368 30.033 31.823 -0.704 0.000 0.708 460 V HN 0.407 nan 8.190 nan 0.000 0.490 461 F N 2.471 122.487 119.950 0.110 0.000 2.343 461 F HA 0.232 4.759 4.527 0.000 0.000 0.286 461 F C 2.199 178.116 175.800 0.195 0.000 1.057 461 F CA 0.964 59.047 58.000 0.139 0.000 1.365 461 F CB -0.748 38.298 39.000 0.076 0.000 1.114 461 F HN 0.443 nan 8.300 nan 0.000 0.545 462 N N -0.667 118.150 118.700 0.197 0.000 2.197 462 N HA 0.198 4.938 4.740 0.000 0.000 0.201 462 N C 1.437 176.610 175.510 -0.561 0.000 1.148 462 N CA 0.764 53.807 53.050 -0.011 0.000 0.883 462 N CB 0.192 38.678 38.487 -0.001 0.000 1.012 462 N HN 0.275 nan 8.380 nan 0.000 0.507 463 G N -0.257 107.902 108.800 -1.067 0.000 2.143 463 G HA2 -0.236 3.724 3.960 0.000 0.000 0.248 463 G HA3 -0.236 3.724 3.960 0.000 0.000 0.248 463 G C -0.556 173.898 174.900 -0.743 0.000 0.991 463 G CA 0.445 44.595 45.100 -1.583 0.000 0.689 463 G HN 0.313 nan 8.290 nan 0.000 0.522 464 V N 1.088 120.668 119.914 -0.557 0.000 2.318 464 V HA 0.484 4.604 4.120 0.000 0.000 0.271 464 V C -0.207 175.711 176.094 -0.294 0.000 1.030 464 V CA -0.919 61.225 62.300 -0.260 0.000 0.844 464 V CB 0.521 32.266 31.823 -0.130 0.000 1.015 464 V HN 0.250 nan 8.190 nan 0.000 0.460 465 Y N 3.256 123.553 120.300 -0.005 0.000 2.404 465 Y HA 0.255 4.805 4.550 0.000 0.000 0.344 465 Y C 1.069 177.053 175.900 0.140 0.000 0.970 465 Y CA -0.215 57.952 58.100 0.111 0.000 1.180 465 Y CB 1.612 40.104 38.460 0.054 0.000 1.138 465 Y HN 0.389 nan 8.280 nan 0.000 0.510 466 V N 2.921 122.991 119.914 0.261 0.000 2.546 466 V HA -0.272 3.848 4.120 0.000 0.000 0.254 466 V C 1.850 178.020 176.094 0.127 0.000 1.076 466 V CA 2.827 65.206 62.300 0.131 0.000 1.087 466 V CB -0.458 31.386 31.823 0.036 0.000 0.674 466 V HN 1.019 nan 8.190 nan 0.000 0.470 467 T N -2.961 111.722 114.554 0.214 0.000 3.160 467 T HA -0.008 4.342 4.350 0.000 0.000 0.257 467 T C 0.999 175.763 174.700 0.107 0.000 1.147 467 T CA 0.467 62.654 62.100 0.146 0.000 1.064 467 T CB -0.505 68.480 68.868 0.195 0.000 0.949 467 T HN 0.676 nan 8.240 nan 0.000 0.526 468 K N 1.500 121.975 120.400 0.124 0.000 3.012 468 K HA -0.164 4.156 4.320 0.000 0.000 0.259 468 K C -0.518 176.098 176.600 0.027 0.000 0.989 468 K CA 0.979 57.311 56.287 0.075 0.000 0.728 468 K CB -1.449 31.079 32.500 0.048 0.000 1.260 468 K HN 0.776 nan 8.250 nan 0.000 0.480 469 D N -1.295 119.106 120.400 0.001 0.000 2.620 469 D HA 0.128 4.768 4.640 0.000 0.000 0.260 469 D C -0.215 175.992 176.300 -0.154 0.000 1.367 469 D CA -0.296 53.656 54.000 -0.080 0.000 0.805 469 D CB 0.326 41.061 40.800 -0.108 0.000 1.096 469 D HN -0.023 nan 8.370 nan 0.000 0.488 470 V N 1.796 121.631 119.914 -0.132 0.000 2.384 470 V HA 0.582 4.702 4.120 0.000 0.000 0.287 470 V C -0.572 175.453 176.094 -0.115 0.000 1.020 470 V CA -0.574 61.608 62.300 -0.196 0.000 0.850 470 V CB 1.473 32.888 31.823 -0.679 0.000 0.987 470 V HN 0.284 nan 8.190 nan 0.000 0.436 471 D N 2.932 123.318 120.400 -0.024 0.000 2.652 471 D HA 0.271 4.911 4.640 0.000 0.000 0.285 471 D C 0.615 176.930 176.300 0.024 0.000 1.173 471 D CA -0.847 53.155 54.000 0.004 0.000 0.981 471 D CB 1.289 42.097 40.800 0.013 0.000 1.440 471 D HN 0.098 nan 8.370 nan 0.000 0.485 472 Q N 0.271 120.089 119.800 0.029 0.000 2.135 472 Q HA 0.014 4.354 4.340 0.000 0.000 0.204 472 Q C 2.009 178.022 176.000 0.022 0.000 0.981 472 Q CA 2.552 58.368 55.803 0.023 0.000 0.856 472 Q CB -0.997 27.760 28.738 0.033 0.000 0.902 472 Q HN 0.733 nan 8.270 nan 0.000 0.425 473 G N -0.715 108.109 108.800 0.039 0.000 2.476 473 G HA2 -0.333 3.627 3.960 0.000 0.000 0.218 473 G HA3 -0.333 3.627 3.960 0.000 0.000 0.218 473 G C 1.307 176.268 174.900 0.102 0.000 1.164 473 G CA 1.086 46.217 45.100 0.051 0.000 0.768 473 G HN 0.500 nan 8.290 nan 0.000 0.560 474 Y N 1.309 121.596 120.300 -0.022 0.000 2.145 474 Y HA 0.009 4.559 4.550 0.000 0.000 0.286 474 Y C 2.609 178.536 175.900 0.045 0.000 1.145 474 Y CA 1.159 59.264 58.100 0.009 0.000 1.148 474 Y CB -0.467 37.955 38.460 -0.063 0.000 0.981 474 Y HN 0.122 nan 8.280 nan 0.000 0.507 475 L N -0.169 120.934 121.223 -0.200 0.000 2.131 475 L HA -0.224 4.116 4.340 0.000 0.000 0.210 475 L C 1.947 178.698 176.870 -0.197 0.000 1.092 475 L CA 1.513 56.182 54.840 -0.285 0.000 0.759 475 L CB -0.585 41.371 42.059 -0.170 0.000 0.903 475 L HN 0.168 nan 8.230 nan 0.000 0.435 476 D N -0.316 120.030 120.400 -0.090 0.000 2.149 476 D HA -0.190 4.450 4.640 0.000 0.000 0.201 476 D C 1.860 178.124 176.300 -0.061 0.000 0.972 476 D CA 0.956 54.919 54.000 -0.062 0.000 0.835 476 D CB -0.218 40.576 40.800 -0.011 0.000 0.966 476 D HN 0.194 nan 8.370 nan 0.000 0.476 477 F N 1.620 121.481 119.950 -0.148 0.000 2.095 477 F HA -0.140 4.387 4.527 0.000 0.000 0.298 477 F C 2.010 177.713 175.800 -0.162 0.000 1.104 477 F CA 1.177 59.100 58.000 -0.129 0.000 1.232 477 F CB -0.400 38.553 39.000 -0.078 0.000 0.987 477 F HN -0.115 nan 8.300 nan 0.000 0.475 478 L N -0.062 120.909 121.223 -0.420 0.000 2.079 478 L HA -0.238 4.102 4.340 0.000 0.000 0.210 478 L C 2.158 178.809 176.870 -0.365 0.000 1.081 478 L CA 1.493 56.051 54.840 -0.469 0.000 0.752 478 L CB -0.901 40.899 42.059 -0.433 0.000 0.896 478 L HN 0.125 nan 8.230 nan 0.000 0.433 479 D N -0.462 119.772 120.400 -0.277 0.000 2.144 479 D HA -0.154 4.486 4.640 0.000 0.000 0.199 479 D C 2.259 178.440 176.300 -0.199 0.000 0.984 479 D CA 1.971 55.851 54.000 -0.200 0.000 0.834 479 D CB -0.144 40.568 40.800 -0.147 0.000 0.955 479 D HN 0.418 nan 8.370 nan 0.000 0.465 480 T N -0.924 113.485 114.554 -0.241 0.000 2.867 480 T HA -0.075 4.275 4.350 0.000 0.000 0.268 480 T C 2.337 176.894 174.700 -0.239 0.000 1.057 480 T CA 0.536 62.511 62.100 -0.208 0.000 1.136 480 T CB -0.513 68.245 68.868 -0.182 0.000 0.874 480 T HN 0.108 nan 8.240 nan 0.000 0.466 481 L N 0.167 121.176 121.223 -0.357 0.000 2.027 481 L HA 0.003 4.343 4.340 0.000 0.000 0.206 481 L C 3.345 180.113 176.870 -0.170 0.000 1.074 481 L CA 1.440 56.107 54.840 -0.289 0.000 0.745 481 L CB -0.427 41.417 42.059 -0.359 0.000 0.898 481 L HN 0.205 nan 8.230 nan 0.000 0.433 482 R N -0.134 120.269 120.500 -0.162 0.000 2.105 482 R HA -0.154 4.187 4.340 0.000 0.000 0.239 482 R C 2.061 178.311 176.300 -0.084 0.000 1.135 482 R CA 1.491 57.528 56.100 -0.105 0.000 0.967 482 R CB -0.409 29.829 30.300 -0.102 0.000 0.861 482 R HN 0.419 nan 8.270 nan 0.000 0.442 483 N N 0.719 119.363 118.700 -0.094 0.000 2.166 483 N HA -0.137 4.603 4.740 0.000 0.000 0.186 483 N C 1.078 176.553 175.510 -0.058 0.000 1.019 483 N CA 1.334 54.342 53.050 -0.070 0.000 0.856 483 N CB -0.275 38.169 38.487 -0.072 0.000 0.993 483 N HN 0.217 nan 8.380 nan 0.000 0.426 484 D N 0.606 120.966 120.400 -0.067 0.000 2.162 484 D HA -0.069 4.571 4.640 0.000 0.000 0.203 484 D C 1.128 177.405 176.300 -0.038 0.000 0.967 484 D CA 0.731 54.701 54.000 -0.050 0.000 0.840 484 D CB -0.278 40.489 40.800 -0.055 0.000 0.972 484 D HN 0.180 nan 8.370 nan 0.000 0.482 485 D N 0.777 121.151 120.400 -0.043 0.000 2.144 485 D HA -0.068 4.572 4.640 0.000 0.000 0.199 485 D C 2.029 178.316 176.300 -0.022 0.000 0.984 485 D CA 1.114 55.098 54.000 -0.027 0.000 0.834 485 D CB -0.219 40.565 40.800 -0.027 0.000 0.955 485 D HN 0.124 nan 8.370 nan 0.000 0.465 486 A N 1.204 124.007 122.820 -0.029 0.000 1.858 486 A HA -0.208 4.112 4.320 0.000 0.000 0.216 486 A C 2.060 179.632 177.584 -0.020 0.000 1.190 486 A CA 1.489 53.512 52.037 -0.024 0.000 0.617 486 A CB -0.455 18.528 19.000 -0.029 0.000 0.827 486 A HN 0.109 nan 8.150 nan 0.000 0.443 487 K N -0.425 119.962 120.400 -0.021 0.000 2.113 487 K HA -0.159 4.161 4.320 0.000 0.000 0.208 487 K C 2.242 178.835 176.600 -0.012 0.000 1.047 487 K CA 1.203 57.480 56.287 -0.016 0.000 0.928 487 K CB -0.313 32.177 32.500 -0.017 0.000 0.716 487 K HN 0.485 nan 8.250 nan 0.000 0.446 488 A N 0.680 123.493 122.820 -0.011 0.000 1.872 488 A HA -0.091 4.229 4.320 0.000 0.000 0.214 488 A C 2.310 179.891 177.584 -0.005 0.000 1.187 488 A CA 1.234 53.267 52.037 -0.006 0.000 0.614 488 A CB -0.452 18.546 19.000 -0.004 0.000 0.826 488 A HN 0.071 nan 8.150 nan 0.000 0.442 489 V N 0.226 120.135 119.914 -0.007 0.000 2.453 489 V HA -0.219 3.901 4.120 0.000 0.000 0.247 489 V C 2.652 178.740 176.094 -0.010 0.000 1.048 489 V CA 1.757 64.052 62.300 -0.008 0.000 1.049 489 V CB -0.782 31.034 31.823 -0.011 0.000 0.672 489 V HN 0.518 nan 8.190 nan 0.000 0.457 490 Q N 0.205 119.998 119.800 -0.011 0.000 2.096 490 Q HA -0.252 4.088 4.340 0.000 0.000 0.204 490 Q C 2.391 178.387 176.000 -0.006 0.000 0.982 490 Q CA 1.851 57.648 55.803 -0.010 0.000 0.850 490 Q CB -0.448 28.284 28.738 -0.011 0.000 0.901 490 Q HN 0.541 nan 8.270 nan 0.000 0.422 491 R N 0.796 121.293 120.500 -0.005 0.000 2.117 491 R HA -0.115 4.225 4.340 0.000 0.000 0.243 491 R C 0.991 177.291 176.300 -0.000 0.000 1.143 491 R CA 1.156 57.255 56.100 -0.002 0.000 0.968 491 R CB 0.061 30.360 30.300 -0.001 0.000 0.863 491 R HN 0.293 nan 8.270 nan 0.000 0.444 492 Q N 0.000 119.799 119.800 -0.001 0.000 2.315 492 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 492 Q CA 0.000 55.803 55.803 -0.000 0.000 1.022 492 Q CB 0.000 28.737 28.738 -0.001 0.000 1.108 492 Q HN 0.000 nan 8.270 nan 0.000 0.481