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 2wv9_1_A DATA FIRST_RESID -53 DATA SEQUENCE ATDMWLERAA DVSWEAGAAI TXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XTTPGVYRIM ARGILGRYQA GVGVMHEGVF DATA SEQUENCE HTLWHTTRGA AIMSGEGRLT PYWGNVKEDR VTYGGPWKLD QKWNGVDDVQ DATA SEQUENCE MIVVEPGKPA INVQTKPGIF KTAHGEIGAV SLDYPIGTSG SPIVNSNGEI DATA SEQUENCE IGLYGNGVIL GNGAYVSAIV QGXXXXXXXP EAYNPEMLKK RQLTVLDLHP DATA SEQUENCE GAGKTRRILP QIIKDAIQKR LRTAVLAPTR VVAAEMAEAL RGLPVRYLTP DATA SEQUENCE XXXREHSGNE IVDVMCHATL THRLMSPLRV PNYNLFVMDE AHFTDPASIA DATA SEQUENCE ARGYIATRVE AGEAAAIFMT ATPPGTSDPF PDTNSPVHDV SSEIPDRAWS DATA SEQUENCE SGFEWITDYA GKTVWFVASV KMSNEIAQCL QRAGKRVIQL NRKSYDTEYP DATA SEQUENCE KCKNGDWDFV ITTDISEMGA NFGASRVIDC RKSVKPTILD EGEGRVILSV DATA SEQUENCE PSAITSASAA QRRGRVGRNP SQIGDEYHYG GGTSEDDTML AHWTEAKILL DATA SEQUENCE DNIHLPNGLV AQLYGPERDK TYTMDGEYRL RGEERKTFLE LIKTADLPVW DATA SEQUENCE LAYKVASNGI QYNDRKWCFD GPRSNIILED NNEVEXXXXX XXXXXXKPRW DATA SEQUENCE LDARVYSDHQ SLKWFKDFAA GK 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 -53 A HA 0.000 nan 4.320 nan 0.000 0.244 -53 A C 0.000 177.611 177.584 0.045 0.000 1.274 -53 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 -53 A CB 0.000 18.983 19.000 -0.029 0.000 0.831 -52 T N 0.965 115.545 114.554 0.044 0.000 2.852 -52 T HA 0.060 4.417 4.350 0.012 0.000 0.256 -52 T C 0.633 175.376 174.700 0.071 0.000 1.038 -52 T CA 1.532 63.666 62.100 0.057 0.000 1.141 -52 T CB -0.442 68.449 68.868 0.040 0.000 0.869 -52 T HN 0.885 nan 8.240 nan 0.000 0.439 -51 D N 0.979 121.418 120.400 0.065 0.000 2.383 -51 D HA 0.291 4.938 4.640 0.012 0.000 0.248 -51 D C -0.005 176.365 176.300 0.117 0.000 1.170 -51 D CA -0.410 53.627 54.000 0.061 0.000 0.977 -51 D CB 0.611 41.436 40.800 0.042 0.000 1.120 -51 D HN 0.191 nan 8.370 nan 0.000 0.481 -50 M N -0.670 118.959 119.600 0.048 0.000 2.267 -50 M HA 0.509 4.997 4.480 0.012 0.000 0.303 -50 M C -0.525 175.850 176.300 0.124 0.000 1.164 -50 M CA -0.630 54.677 55.300 0.013 0.000 1.060 -50 M CB 1.051 33.525 32.600 -0.210 0.000 1.455 -50 M HN 0.694 nan 8.290 nan 0.000 0.483 -49 W N -0.233 120.957 121.300 -0.182 0.000 3.047 -49 W HA 0.780 5.448 4.660 0.013 0.000 0.341 -49 W C -2.630 173.772 176.519 -0.195 0.000 1.225 -49 W CA -1.066 56.167 57.345 -0.188 0.000 1.150 -49 W CB 0.696 30.076 29.460 -0.132 0.000 1.470 -49 W HN 0.378 nan 8.180 nan 0.000 0.578 -48 L N 1.889 123.067 121.223 -0.075 0.000 2.334 -48 L HA 0.529 4.877 4.340 0.012 0.000 0.276 -48 L C -0.336 176.594 176.870 0.101 0.000 1.014 -48 L CA -0.981 53.774 54.840 -0.143 0.000 0.815 -48 L CB 1.867 43.715 42.059 -0.351 0.000 1.268 -48 L HN 0.534 nan 8.230 nan 0.000 0.428 -47 E N 2.615 122.903 120.200 0.147 0.000 2.265 -47 E HA 0.247 4.605 4.350 0.012 0.000 0.262 -47 E C -1.100 175.609 176.600 0.181 0.000 0.889 -47 E CA -0.806 55.711 56.400 0.195 0.000 0.789 -47 E CB 2.835 32.604 29.700 0.114 0.000 1.221 -47 E HN 0.403 nan 8.360 nan 0.000 0.414 -46 R N 1.807 122.376 120.500 0.115 0.000 2.484 -46 R HA 0.152 4.500 4.340 0.012 0.000 0.293 -46 R C 0.384 176.587 176.300 -0.161 0.000 1.023 -46 R CA 0.504 56.439 56.100 -0.275 0.000 1.037 -46 R CB 0.524 30.641 30.300 -0.304 0.000 0.951 -46 R HN 0.666 nan 8.270 nan 0.000 0.418 -45 A N 3.846 126.550 122.820 -0.193 0.000 1.944 -45 A HA 0.457 4.784 4.320 0.012 0.000 0.207 -45 A C 0.212 177.724 177.584 -0.121 0.000 1.265 -45 A CA 0.872 52.841 52.037 -0.114 0.000 0.712 -45 A CB 0.296 19.245 19.000 -0.084 0.000 0.915 -45 A HN 0.757 nan 8.150 nan 0.000 0.470 -44 A N -0.766 121.962 122.820 -0.154 0.000 2.557 -44 A HA 0.604 4.932 4.320 0.012 0.000 0.292 -44 A C -1.904 175.603 177.584 -0.128 0.000 1.139 -44 A CA -0.593 51.372 52.037 -0.120 0.000 0.665 -44 A CB 0.317 19.260 19.000 -0.095 0.000 1.285 -44 A HN 0.099 nan 8.150 nan 0.000 0.433 -43 D N -0.439 119.912 120.400 -0.082 0.000 2.466 -43 D HA 0.474 5.121 4.640 0.012 0.000 0.262 -43 D C -0.365 175.915 176.300 -0.035 0.000 1.177 -43 D CA -0.157 53.811 54.000 -0.054 0.000 1.035 -43 D CB 1.071 41.854 40.800 -0.028 0.000 1.105 -43 D HN 0.203 nan 8.370 nan 0.000 0.551 -42 V N 0.996 120.906 119.914 -0.005 0.000 2.288 -42 V HA 0.413 4.540 4.120 0.012 0.000 0.266 -42 V C -0.162 175.949 176.094 0.028 0.000 1.048 -42 V CA -0.063 62.240 62.300 0.006 0.000 0.842 -42 V CB 0.024 31.856 31.823 0.014 0.000 1.064 -42 V HN 0.383 nan 8.190 nan 0.000 0.472 -41 S N 3.208 118.928 115.700 0.034 0.000 2.550 -41 S HA 0.471 4.949 4.470 0.012 0.000 0.270 -41 S C -1.361 173.310 174.600 0.119 0.000 1.145 -41 S CA -0.692 57.555 58.200 0.077 0.000 0.852 -41 S CB 2.209 65.442 63.200 0.055 0.000 1.119 -41 S HN 0.763 nan 8.310 nan 0.000 0.465 -40 W N 2.421 123.712 121.300 -0.016 0.000 2.272 -40 W HA 0.580 5.246 4.660 0.011 0.000 0.318 -40 W C -0.673 175.839 176.519 -0.011 0.000 1.255 -40 W CA -0.004 57.333 57.345 -0.013 0.000 1.200 -40 W CB 0.832 30.288 29.460 -0.005 0.000 1.170 -40 W HN 0.692 nan 8.180 nan 0.000 0.549 -39 E N 3.189 123.104 120.200 -0.474 0.000 2.266 -39 E HA 0.539 4.897 4.350 0.012 0.000 0.268 -39 E C -0.780 175.574 176.600 -0.409 0.000 0.879 -39 E CA -0.605 55.617 56.400 -0.297 0.000 0.762 -39 E CB 1.884 31.457 29.700 -0.212 0.000 1.199 -39 E HN 0.446 nan 8.360 nan 0.000 0.422 -38 A N 2.414 125.153 122.820 -0.134 0.000 2.450 -38 A HA 0.652 4.979 4.320 0.012 0.000 0.255 -38 A C 0.633 178.157 177.584 -0.099 0.000 1.096 -38 A CA 0.885 52.888 52.037 -0.057 0.000 0.778 -38 A CB -0.401 18.622 19.000 0.037 0.000 1.031 -38 A HN 0.893 nan 8.150 nan 0.000 0.494 -37 G N -0.070 108.678 108.800 -0.087 0.000 2.434 -37 G HA2 0.392 4.359 3.960 0.012 0.000 0.671 -37 G HA3 0.392 4.359 3.960 0.012 0.000 0.671 -37 G C 0.567 175.399 174.900 -0.114 0.000 1.280 -37 G CA 0.061 45.116 45.100 -0.076 0.000 0.975 -37 G HN 1.822 nan 8.290 nan 0.000 0.510 -36 A N -0.635 122.138 122.820 -0.079 0.000 1.911 -36 A HA 0.804 5.132 4.320 0.012 0.000 0.212 -36 A C 1.448 178.978 177.584 -0.091 0.000 1.189 -36 A CA 2.222 54.212 52.037 -0.077 0.000 0.639 -36 A CB -0.199 18.777 19.000 -0.040 0.000 0.839 -36 A HN 2.624 nan 8.150 nan 0.000 0.449 -35 A N -0.665 122.109 122.820 -0.077 0.000 2.408 -35 A HA 0.680 5.008 4.320 0.012 0.000 0.295 -35 A C -1.010 176.531 177.584 -0.071 0.000 1.040 -35 A CA -0.231 51.762 52.037 -0.073 0.000 0.707 -35 A CB 0.807 19.780 19.000 -0.044 0.000 1.235 -35 A HN 0.540 nan 8.150 nan 0.000 0.418 -34 I N 1.680 122.199 120.570 -0.084 0.000 2.730 -34 I HA 0.607 4.785 4.170 0.012 0.000 0.298 -34 I C 0.570 176.648 176.117 -0.065 0.000 1.089 -34 I CA 0.184 61.440 61.300 -0.073 0.000 1.041 -34 I CB 2.173 40.122 38.000 -0.086 0.000 1.235 -34 I HN 1.079 nan 8.210 nan 0.000 0.423 19 T N 4.844 119.476 114.554 0.129 0.000 2.902 19 T HA 0.373 4.731 4.350 0.012 0.000 0.301 19 T C -2.345 172.497 174.700 0.237 0.000 1.012 19 T CA -0.489 61.707 62.100 0.160 0.000 1.151 19 T CB 0.286 69.249 68.868 0.159 0.000 0.946 19 T HN 0.326 nan 8.240 nan 0.000 0.542 20 P HA 0.504 nan 4.420 nan 0.000 0.271 20 P C 0.361 177.756 177.300 0.158 0.000 1.220 20 P CA 0.203 63.409 63.100 0.176 0.000 0.768 20 P CB 0.779 32.542 31.700 0.105 0.000 0.848 21 G N 0.884 109.801 108.800 0.196 0.000 2.333 21 G HA2 0.269 4.236 3.960 0.012 0.000 0.288 21 G HA3 0.269 4.236 3.960 0.012 0.000 0.288 21 G C -1.632 173.276 174.900 0.013 0.000 1.286 21 G CA -0.662 44.457 45.100 0.031 0.000 0.865 21 G HN 0.335 nan 8.290 nan 0.000 0.506 22 V N 0.334 120.148 119.914 -0.166 0.000 2.481 22 V HA 0.686 4.814 4.120 0.012 0.000 0.286 22 V C -0.885 175.053 176.094 -0.260 0.000 1.042 22 V CA -0.366 61.879 62.300 -0.092 0.000 0.928 22 V CB 0.795 32.568 31.823 -0.082 0.000 0.986 22 V HN 0.592 nan 8.190 nan 0.000 0.462 23 Y N 2.402 122.793 120.300 0.152 0.000 2.442 23 Y HA 0.568 5.125 4.550 0.012 0.000 0.344 23 Y C 0.496 176.462 175.900 0.110 0.000 0.976 23 Y CA -0.962 57.231 58.100 0.154 0.000 1.040 23 Y CB 1.832 40.441 38.460 0.250 0.000 1.228 23 Y HN 0.482 nan 8.280 nan 0.000 0.451 24 R N 3.003 123.594 120.500 0.152 0.000 2.438 24 R HA 0.411 4.759 4.340 0.012 0.000 0.287 24 R C -0.945 175.328 176.300 -0.045 0.000 1.077 24 R CA -0.215 55.905 56.100 0.033 0.000 1.034 24 R CB 0.571 30.848 30.300 -0.039 0.000 0.993 24 R HN 0.586 nan 8.270 nan 0.000 0.459 25 I N 4.538 125.057 120.570 -0.084 0.000 2.307 25 I HA 0.185 4.362 4.170 0.012 0.000 0.287 25 I C -0.112 175.750 176.117 -0.425 0.000 1.054 25 I CA -0.209 60.956 61.300 -0.225 0.000 1.218 25 I CB 0.792 38.741 38.000 -0.085 0.000 1.398 25 I HN 0.307 nan 8.210 nan 0.000 0.475 26 M N 5.245 124.380 119.600 -0.776 0.000 2.300 26 M HA 0.665 5.152 4.480 0.012 0.000 0.348 26 M C -0.043 175.447 176.300 -1.350 0.000 1.151 26 M CA -0.328 54.292 55.300 -1.134 0.000 1.046 26 M CB 1.614 33.287 32.600 -1.545 0.000 1.647 26 M HN 0.584 nan 8.290 nan 0.000 0.451 27 A N 3.698 125.867 122.820 -1.086 0.000 2.437 27 A HA 0.928 5.256 4.320 0.012 0.000 0.292 27 A C -0.713 176.655 177.584 -0.360 0.000 1.173 27 A CA -0.834 50.765 52.037 -0.729 0.000 0.785 27 A CB 1.830 20.349 19.000 -0.802 0.000 1.351 27 A HN 0.808 nan 8.150 nan 0.000 0.431 28 R N -0.153 120.356 120.500 0.015 0.000 2.502 28 R HA 0.515 4.862 4.340 0.012 0.000 0.300 28 R C 0.096 176.528 176.300 0.219 0.000 0.984 28 R CA -0.210 56.002 56.100 0.185 0.000 0.882 28 R CB 2.098 32.533 30.300 0.225 0.000 1.180 28 R HN 0.941 nan 8.270 nan 0.000 0.444 29 G N 1.602 110.576 108.800 0.290 0.000 2.828 29 G HA2 0.259 4.226 3.960 0.012 0.000 0.244 29 G HA3 0.259 4.226 3.960 0.012 0.000 0.244 29 G C 0.780 175.755 174.900 0.126 0.000 1.365 29 G CA -0.536 44.691 45.100 0.211 0.000 1.041 29 G HN 0.347 nan 8.290 nan 0.000 0.560 30 I N -0.510 120.109 120.570 0.082 0.000 2.584 30 I HA 0.068 4.245 4.170 0.012 0.000 0.255 30 I C 2.335 178.484 176.117 0.052 0.000 1.145 30 I CA 0.751 62.084 61.300 0.056 0.000 1.462 30 I CB -0.585 37.436 38.000 0.035 0.000 1.102 30 I HN 0.142 nan 8.210 nan 0.000 0.433 31 L N 0.265 121.517 121.223 0.049 0.000 2.599 31 L HA 0.279 4.627 4.340 0.012 0.000 0.230 31 L C 0.956 177.865 176.870 0.066 0.000 1.141 31 L CA 0.467 55.330 54.840 0.038 0.000 0.877 31 L CB -0.472 41.591 42.059 0.006 0.000 1.009 31 L HN 0.379 nan 8.230 nan 0.000 0.447 32 G N -1.096 107.770 108.800 0.110 0.000 2.343 32 G HA2 -0.063 3.904 3.960 0.012 0.000 0.465 32 G HA3 -0.063 3.904 3.960 0.012 0.000 0.465 32 G C -0.854 174.180 174.900 0.224 0.000 1.282 32 G CA -1.117 44.064 45.100 0.136 0.000 0.996 32 G HN -0.060 nan 8.290 nan 0.000 0.521 33 R N -0.244 120.377 120.500 0.202 0.000 2.543 33 R HA 0.558 4.905 4.340 0.012 0.000 0.277 33 R C 0.022 176.469 176.300 0.246 0.000 1.074 33 R CA 0.374 56.605 56.100 0.218 0.000 1.076 33 R CB 0.413 30.843 30.300 0.217 0.000 0.993 33 R HN 0.774 nan 8.270 nan 0.000 0.459 34 Y N -1.758 118.552 120.300 0.017 0.000 2.705 34 Y HA 0.285 4.842 4.550 0.012 0.000 0.332 34 Y C -1.283 174.561 175.900 -0.092 0.000 1.221 34 Y CA -1.360 56.726 58.100 -0.023 0.000 1.059 34 Y CB 1.196 39.649 38.460 -0.012 0.000 1.298 34 Y HN 0.400 nan 8.280 nan 0.000 0.459 35 Q N 1.089 120.910 119.800 0.034 0.000 2.340 35 Q HA 0.642 4.989 4.340 0.012 0.000 0.259 35 Q C -0.027 175.999 176.000 0.045 0.000 0.964 35 Q CA -0.001 55.748 55.803 -0.090 0.000 0.900 35 Q CB 1.784 30.507 28.738 -0.026 0.000 1.228 35 Q HN 1.000 nan 8.270 nan 0.000 0.449 36 A N 3.337 126.084 122.820 -0.123 0.000 2.021 36 A HA 0.402 4.730 4.320 0.012 0.000 0.216 36 A C 0.752 178.378 177.584 0.070 0.000 1.163 36 A CA 1.168 53.232 52.037 0.046 0.000 0.676 36 A CB 0.176 19.128 19.000 -0.080 0.000 0.818 36 A HN 0.819 nan 8.150 nan 0.000 0.453 37 G N -2.726 106.091 108.800 0.029 0.000 2.340 37 G HA2 0.463 4.430 3.960 0.012 0.000 0.299 37 G HA3 0.463 4.430 3.960 0.012 0.000 0.299 37 G C -1.582 173.365 174.900 0.079 0.000 1.291 37 G CA 0.084 45.232 45.100 0.080 0.000 0.841 37 G HN 0.547 nan 8.290 nan 0.000 0.500 38 V N -0.689 119.295 119.914 0.117 0.000 2.864 38 V HA 1.004 5.132 4.120 0.012 0.000 0.314 38 V C 0.654 176.836 176.094 0.146 0.000 1.073 38 V CA 0.136 62.509 62.300 0.123 0.000 0.956 38 V CB 1.638 33.500 31.823 0.065 0.000 1.023 38 V HN 1.784 nan 8.190 nan 0.000 0.435 39 G N 0.147 109.038 108.800 0.151 0.000 2.660 39 G HA2 0.623 4.591 3.960 0.012 0.000 0.290 39 G HA3 0.623 4.591 3.960 0.012 0.000 0.290 39 G C -2.089 172.675 174.900 -0.226 0.000 1.432 39 G CA -0.604 44.376 45.100 -0.200 0.000 0.807 39 G HN 0.849 nan 8.290 nan 0.000 0.485 40 V N 0.977 120.618 119.914 -0.455 0.000 2.577 40 V HA 0.740 4.868 4.120 0.012 0.000 0.303 40 V C -0.730 175.335 176.094 -0.048 0.000 1.042 40 V CA -0.909 61.321 62.300 -0.116 0.000 0.872 40 V CB 1.656 33.436 31.823 -0.072 0.000 0.998 40 V HN 0.855 nan 8.190 nan 0.000 0.423 41 M N 6.793 126.546 119.600 0.255 0.000 2.105 41 M HA 0.497 4.985 4.480 0.012 0.000 0.350 41 M C -0.965 175.497 176.300 0.271 0.000 1.308 41 M CA 0.360 55.845 55.300 0.308 0.000 1.108 41 M CB 0.080 32.929 32.600 0.416 0.000 1.622 41 M HN 0.849 nan 8.290 nan 0.000 0.468 42 H N 3.759 122.915 119.070 0.142 0.000 2.840 42 H HA 0.332 4.896 4.556 0.013 0.000 0.340 42 H C -0.874 174.502 175.328 0.080 0.000 1.004 42 H CA -0.068 56.028 56.048 0.079 0.000 1.288 42 H CB 0.803 30.552 29.762 -0.022 0.000 1.607 42 H HN 0.763 nan 8.280 nan 0.000 0.522 43 E N 3.988 123.944 120.200 -0.408 0.000 2.297 43 E HA -0.216 4.141 4.350 0.012 0.000 0.228 43 E C 0.895 177.426 176.600 -0.115 0.000 1.213 43 E CA 1.287 57.513 56.400 -0.289 0.000 0.712 43 E CB -1.589 27.901 29.700 -0.350 0.000 1.202 43 E HN 1.229 nan 8.360 nan 0.000 0.376 44 G N -1.849 106.915 108.800 -0.061 0.000 2.184 44 G HA2 -0.359 3.609 3.960 0.012 0.000 0.264 44 G HA3 -0.359 3.609 3.960 0.012 0.000 0.264 44 G C 0.310 175.189 174.900 -0.035 0.000 0.975 44 G CA 0.321 45.398 45.100 -0.038 0.000 0.642 44 G HN 0.397 nan 8.290 nan 0.000 0.536 45 V N 0.800 120.691 119.914 -0.039 0.000 2.448 45 V HA 0.647 4.775 4.120 0.012 0.000 0.295 45 V C -0.199 175.812 176.094 -0.139 0.000 1.025 45 V CA -0.971 61.247 62.300 -0.137 0.000 0.859 45 V CB 1.705 33.345 31.823 -0.305 0.000 0.988 45 V HN 0.327 nan 8.190 nan 0.000 0.431 46 F N 4.721 124.566 119.950 -0.176 0.000 2.424 46 F HA 0.530 5.065 4.527 0.013 0.000 0.356 46 F C 0.250 175.980 175.800 -0.117 0.000 1.110 46 F CA -0.026 57.934 58.000 -0.067 0.000 1.161 46 F CB 0.382 39.378 39.000 -0.006 0.000 1.115 46 F HN 0.570 nan 8.300 nan 0.000 0.507 47 H N 3.195 122.011 119.070 -0.424 0.000 2.459 47 H HA 0.594 5.157 4.556 0.013 0.000 0.332 47 H C 0.089 175.259 175.328 -0.262 0.000 1.094 47 H CA -0.503 55.382 56.048 -0.271 0.000 1.224 47 H CB 1.882 31.243 29.762 -0.668 0.000 1.449 47 H HN 0.657 nan 8.280 nan 0.000 0.484 48 T N 1.542 116.290 114.554 0.325 0.000 2.665 48 T HA 0.446 4.803 4.350 0.012 0.000 0.303 48 T C -1.429 173.552 174.700 0.468 0.000 1.334 48 T CA -0.828 61.465 62.100 0.320 0.000 1.011 48 T CB 0.709 69.751 68.868 0.289 0.000 1.573 48 T HN 0.405 nan 8.240 nan 0.000 0.492 49 L N 2.093 123.532 121.223 0.359 0.000 2.334 49 L HA 0.360 4.708 4.340 0.012 0.000 0.277 49 L C 1.551 178.630 176.870 0.347 0.000 1.075 49 L CA -0.872 54.172 54.840 0.340 0.000 0.804 49 L CB 0.966 43.187 42.059 0.270 0.000 1.174 49 L HN 0.769 nan 8.230 nan 0.000 0.438 50 W N 2.947 124.339 121.300 0.154 0.000 2.325 50 W HA -0.217 4.450 4.660 0.012 0.000 0.299 50 W C 2.028 178.593 176.519 0.077 0.000 1.215 50 W CA 1.624 59.016 57.345 0.079 0.000 1.244 50 W CB -0.089 29.350 29.460 -0.035 0.000 1.140 50 W HN 0.718 nan 8.180 nan 0.000 0.523 51 H N 0.080 119.169 119.070 0.032 0.000 2.353 51 H HA -0.155 4.409 4.556 0.013 0.000 0.298 51 H C 2.129 177.393 175.328 -0.106 0.000 1.103 51 H CA 2.581 58.589 56.048 -0.065 0.000 1.293 51 H CB -0.589 29.204 29.762 0.053 0.000 1.372 51 H HN 0.104 nan 8.280 nan 0.000 0.501 52 T N -0.389 114.227 114.554 0.103 0.000 2.635 52 T HA -0.176 4.181 4.350 0.012 0.000 0.267 52 T C 2.122 176.811 174.700 -0.018 0.000 1.040 52 T CA 2.622 64.767 62.100 0.076 0.000 1.156 52 T CB -0.391 68.556 68.868 0.132 0.000 0.863 52 T HN 0.631 nan 8.240 nan 0.000 0.430 53 T N -1.931 112.565 114.554 -0.097 0.000 2.990 53 T HA 0.259 4.616 4.350 0.012 0.000 0.249 53 T C 1.020 175.536 174.700 -0.307 0.000 1.039 53 T CA -0.072 61.951 62.100 -0.128 0.000 1.036 53 T CB -0.028 68.850 68.868 0.016 0.000 0.994 53 T HN 0.309 nan 8.240 nan 0.000 0.489 54 R N 0.856 120.955 120.500 -0.668 0.000 3.741 54 R HA -0.170 4.178 4.340 0.012 0.000 0.292 54 R C 1.026 176.807 176.300 -0.865 0.000 1.176 54 R CA 0.521 56.033 56.100 -0.979 0.000 0.794 54 R CB -1.976 28.055 30.300 -0.447 0.000 1.213 54 R HN 0.991 nan 8.270 nan 0.000 0.494 55 G N -2.192 106.113 108.800 -0.825 0.000 2.132 55 G HA2 -0.232 3.736 3.960 0.012 0.000 0.228 55 G HA3 -0.232 3.736 3.960 0.012 0.000 0.228 55 G C 0.178 175.085 174.900 0.012 0.000 1.000 55 G CA 0.289 45.275 45.100 -0.190 0.000 0.693 55 G HN 0.768 nan 8.290 nan 0.000 0.515 56 A N -0.382 122.436 122.820 -0.003 0.000 2.272 56 A HA 0.938 5.265 4.320 0.012 0.000 0.275 56 A C 0.906 178.583 177.584 0.156 0.000 1.096 56 A CA 0.740 52.808 52.037 0.051 0.000 0.822 56 A CB 0.674 19.672 19.000 -0.003 0.000 1.088 56 A HN 2.080 nan 8.150 nan 0.000 0.495 57 A N -0.076 122.811 122.820 0.112 0.000 2.304 57 A HA 0.652 4.980 4.320 0.012 0.000 0.301 57 A C -0.363 177.219 177.584 -0.003 0.000 1.132 57 A CA -0.379 51.737 52.037 0.132 0.000 0.819 57 A CB 0.085 19.144 19.000 0.098 0.000 1.094 57 A HN 0.672 nan 8.150 nan 0.000 0.492 58 I N 2.125 122.634 120.570 -0.102 0.000 2.410 58 I HA 0.224 4.402 4.170 0.012 0.000 0.286 58 I C -0.317 175.704 176.117 -0.160 0.000 1.009 58 I CA -0.080 61.069 61.300 -0.253 0.000 1.111 58 I CB 1.695 39.318 38.000 -0.629 0.000 1.262 58 I HN 0.628 nan 8.210 nan 0.000 0.443 59 M N 4.786 124.341 119.600 -0.074 0.000 2.194 59 M HA 0.159 4.647 4.480 0.012 0.000 0.347 59 M C 0.572 176.822 176.300 -0.083 0.000 1.439 59 M CA 0.514 55.786 55.300 -0.046 0.000 1.131 59 M CB 1.050 33.652 32.600 0.004 0.000 1.733 59 M HN 0.660 nan 8.290 nan 0.000 0.467 60 S N 2.269 117.895 115.700 -0.123 0.000 2.646 60 S HA 0.495 4.972 4.470 0.012 0.000 0.273 60 S C 1.473 176.028 174.600 -0.077 0.000 1.168 60 S CA -0.025 58.080 58.200 -0.158 0.000 1.013 60 S CB 0.907 63.983 63.200 -0.206 0.000 1.098 60 S HN 0.876 nan 8.310 nan 0.000 0.544 61 G N 0.223 108.982 108.800 -0.068 0.000 2.529 61 G HA2 -0.089 3.878 3.960 0.012 0.000 0.219 61 G HA3 -0.089 3.878 3.960 0.012 0.000 0.219 61 G C 0.104 174.989 174.900 -0.026 0.000 1.177 61 G CA 1.029 46.115 45.100 -0.023 0.000 0.773 61 G HN 0.644 nan 8.290 nan 0.000 0.573 62 E N -0.214 119.967 120.200 -0.032 0.000 2.241 62 E HA 0.497 4.854 4.350 0.012 0.000 0.263 62 E C 0.183 176.767 176.600 -0.027 0.000 0.882 62 E CA 0.243 56.628 56.400 -0.025 0.000 0.769 62 E CB 1.623 31.313 29.700 -0.017 0.000 1.185 62 E HN 0.662 nan 8.360 nan 0.000 0.415 63 G N 2.655 111.441 108.800 -0.023 0.000 2.716 63 G HA2 -0.237 3.731 3.960 0.012 0.000 0.686 63 G HA3 -0.237 3.731 3.960 0.012 0.000 0.686 63 G C -0.537 174.352 174.900 -0.018 0.000 1.337 63 G CA -0.671 44.420 45.100 -0.016 0.000 0.829 63 G HN 0.479 nan 8.290 nan 0.000 0.599 64 R N -0.279 120.220 120.500 -0.002 0.000 2.474 64 R HA 0.751 5.099 4.340 0.012 0.000 0.295 64 R C -0.133 176.188 176.300 0.035 0.000 0.980 64 R CA -0.778 55.326 56.100 0.006 0.000 0.934 64 R CB 0.681 30.991 30.300 0.016 0.000 1.101 64 R HN 0.512 nan 8.270 nan 0.000 0.469 65 L N 2.574 123.828 121.223 0.053 0.000 2.386 65 L HA 0.470 4.817 4.340 0.012 0.000 0.271 65 L C -0.049 176.983 176.870 0.270 0.000 0.993 65 L CA -0.773 54.155 54.840 0.147 0.000 0.819 65 L CB 2.282 44.436 42.059 0.158 0.000 1.294 65 L HN 0.774 nan 8.230 nan 0.000 0.414 66 T N -0.550 114.164 114.554 0.267 0.000 2.950 66 T HA 0.610 4.968 4.350 0.012 0.000 0.288 66 T C -2.738 172.031 174.700 0.115 0.000 1.035 66 T CA -2.452 59.804 62.100 0.260 0.000 1.028 66 T CB 1.587 70.541 68.868 0.144 0.000 1.109 66 T HN 0.171 nan 8.240 nan 0.000 0.514 67 P HA 0.071 nan 4.420 nan 0.000 0.261 67 P C -0.578 176.692 177.300 -0.049 0.000 1.183 67 P CA 0.022 62.918 63.100 -0.340 0.000 0.761 67 P CB 0.069 31.695 31.700 -0.123 0.000 0.785 68 Y N 3.623 123.860 120.300 -0.105 0.000 2.343 68 Y HA 0.248 4.805 4.550 0.012 0.000 0.294 68 Y C 0.357 176.351 175.900 0.155 0.000 1.122 68 Y CA 0.540 58.668 58.100 0.047 0.000 1.173 68 Y CB 0.259 38.766 38.460 0.079 0.000 1.077 68 Y HN 0.433 nan 8.280 nan 0.000 0.542 69 W N -0.028 121.343 121.300 0.118 0.000 3.107 69 W HA 0.567 5.234 4.660 0.012 0.000 0.331 69 W C -1.050 175.498 176.519 0.048 0.000 1.204 69 W CA -0.331 57.051 57.345 0.063 0.000 1.184 69 W CB 1.560 31.139 29.460 0.198 0.000 1.421 69 W HN 0.172 nan 8.180 nan 0.000 0.544 70 G N 2.842 110.964 108.800 -1.129 0.000 2.576 70 G HA2 0.412 4.380 3.960 0.012 0.000 0.290 70 G HA3 0.412 4.380 3.960 0.012 0.000 0.290 70 G C -2.366 171.677 174.900 -1.428 0.000 1.442 70 G CA -0.844 43.578 45.100 -1.131 0.000 0.792 70 G HN 0.497 nan 8.290 nan 0.000 0.491 71 N N 0.072 118.146 118.700 -1.042 0.000 2.537 71 N HA 0.239 4.987 4.740 0.012 0.000 0.281 71 N C 0.835 175.950 175.510 -0.658 0.000 1.097 71 N CA -0.450 52.132 53.050 -0.781 0.000 0.964 71 N CB 2.314 40.450 38.487 -0.584 0.000 1.588 71 N HN 0.194 nan 8.380 nan 0.000 0.511 72 V N 4.065 123.525 119.914 -0.757 0.000 2.270 72 V HA -0.132 3.996 4.120 0.012 0.000 0.245 72 V C 2.409 178.352 176.094 -0.252 0.000 1.043 72 V CA 1.625 63.523 62.300 -0.669 0.000 1.014 72 V CB -0.327 31.136 31.823 -0.602 0.000 0.645 72 V HN 0.661 nan 8.190 nan 0.000 0.447 73 K N -0.120 120.155 120.400 -0.209 0.000 2.152 73 K HA -0.218 4.109 4.320 0.012 0.000 0.206 73 K C 2.004 178.564 176.600 -0.068 0.000 1.048 73 K CA 1.816 58.041 56.287 -0.102 0.000 0.933 73 K CB -0.058 32.384 32.500 -0.096 0.000 0.721 73 K HN 0.574 nan 8.250 nan 0.000 0.447 74 E N -0.252 119.882 120.200 -0.110 0.000 2.385 74 E HA -0.090 4.267 4.350 0.012 0.000 0.194 74 E C -0.228 176.354 176.600 -0.031 0.000 1.013 74 E CA 0.319 56.674 56.400 -0.075 0.000 0.866 74 E CB 0.275 29.912 29.700 -0.105 0.000 0.832 74 E HN 0.261 nan 8.360 nan 0.000 0.500 75 D N 0.855 121.255 120.400 0.000 0.000 2.746 75 D HA -0.172 4.476 4.640 0.012 0.000 0.236 75 D C -0.908 175.490 176.300 0.163 0.000 1.129 75 D CA 0.730 54.828 54.000 0.165 0.000 0.691 75 D CB -0.772 40.163 40.800 0.225 0.000 1.077 75 D HN 0.098 nan 8.370 nan 0.000 0.432 76 R N -0.904 119.626 120.500 0.049 0.000 2.807 76 R HA 0.844 5.192 4.340 0.012 0.000 0.276 76 R C -1.030 175.356 176.300 0.144 0.000 0.979 76 R CA -1.044 55.098 56.100 0.069 0.000 0.928 76 R CB 2.860 33.048 30.300 -0.186 0.000 1.191 76 R HN -0.006 nan 8.270 nan 0.000 0.471 77 V N 0.931 121.110 119.914 0.442 0.000 3.098 77 V HA 0.526 4.654 4.120 0.012 0.000 0.294 77 V C -1.398 175.070 176.094 0.625 0.000 1.351 77 V CA -0.340 62.229 62.300 0.450 0.000 0.999 77 V CB 2.630 34.732 31.823 0.466 0.000 1.104 77 V HN 0.985 nan 8.190 nan 0.000 0.438 78 T N 2.620 117.464 114.554 0.483 0.000 2.907 78 T HA 0.787 5.144 4.350 0.012 0.000 0.292 78 T C -1.448 173.305 174.700 0.088 0.000 1.043 78 T CA -0.534 61.797 62.100 0.386 0.000 1.003 78 T CB 1.753 70.874 68.868 0.422 0.000 1.084 78 T HN 0.548 nan 8.240 nan 0.000 0.483 79 Y N 0.208 120.647 120.300 0.232 0.000 2.326 79 Y HA 0.593 5.150 4.550 0.012 0.000 0.329 79 Y C 0.994 176.933 175.900 0.066 0.000 0.973 79 Y CA -0.223 57.989 58.100 0.186 0.000 1.162 79 Y CB 1.916 40.483 38.460 0.178 0.000 1.147 79 Y HN 1.292 nan 8.280 nan 0.000 0.456 80 G N 1.548 110.423 108.800 0.125 0.000 2.141 80 G HA2 0.286 4.254 3.960 0.012 0.000 0.195 80 G HA3 0.286 4.254 3.960 0.012 0.000 0.195 80 G C 0.194 174.938 174.900 -0.259 0.000 1.012 80 G CA 0.002 45.089 45.100 -0.022 0.000 0.696 80 G HN 1.631 nan 8.290 nan 0.000 0.508 81 G N -1.250 107.198 108.800 -0.587 0.000 2.334 81 G HA2 0.502 4.469 3.960 0.012 0.000 0.315 81 G HA3 0.502 4.469 3.960 0.012 0.000 0.315 81 G C -3.082 171.500 174.900 -0.530 0.000 1.284 81 G CA 0.106 44.593 45.100 -1.022 0.000 0.985 81 G HN 0.761 nan 8.290 nan 0.000 0.504 82 P HA 0.252 nan 4.420 nan 0.000 0.278 82 P C -0.205 177.127 177.300 0.053 0.000 1.266 82 P CA -0.530 62.579 63.100 0.015 0.000 0.807 82 P CB 0.711 32.413 31.700 0.004 0.000 1.094 83 W N 2.314 123.512 121.300 -0.170 0.000 2.381 83 W HA 0.047 4.714 4.660 0.012 0.000 0.321 83 W C 0.255 176.809 176.519 0.059 0.000 1.407 83 W CA 0.452 57.808 57.345 0.018 0.000 1.274 83 W CB 0.351 29.655 29.460 -0.260 0.000 1.310 83 W HN 0.459 nan 8.180 nan 0.000 0.551 84 K N 5.105 125.518 120.400 0.021 0.000 2.402 84 K HA 0.177 4.505 4.320 0.012 0.000 0.204 84 K C 0.192 176.687 176.600 -0.175 0.000 1.056 84 K CA -0.098 56.184 56.287 -0.008 0.000 1.069 84 K CB 0.526 33.096 32.500 0.118 0.000 0.888 84 K HN 0.302 nan 8.250 nan 0.000 0.546 85 L N 2.473 123.369 121.223 -0.546 0.000 2.276 85 L HA 0.161 4.508 4.340 0.012 0.000 0.286 85 L C 0.180 177.045 176.870 -0.008 0.000 1.061 85 L CA -0.181 54.422 54.840 -0.395 0.000 0.807 85 L CB 0.809 42.472 42.059 -0.660 0.000 1.177 85 L HN 0.165 nan 8.230 nan 0.000 0.429 86 D N -0.101 120.300 120.400 0.002 0.000 2.516 86 D HA -0.001 4.647 4.640 0.012 0.000 0.241 86 D C 0.152 176.477 176.300 0.042 0.000 1.246 86 D CA -0.286 53.753 54.000 0.066 0.000 0.808 86 D CB 0.307 41.139 40.800 0.053 0.000 1.147 86 D HN 0.206 nan 8.370 nan 0.000 0.527 87 Q N 1.131 120.939 119.800 0.013 0.000 2.314 87 Q HA 0.351 4.698 4.340 0.012 0.000 0.258 87 Q C -0.149 175.885 176.000 0.057 0.000 0.954 87 Q CA 0.325 56.137 55.803 0.016 0.000 0.890 87 Q CB 1.920 30.650 28.738 -0.015 0.000 1.210 87 Q HN 0.234 nan 8.270 nan 0.000 0.410 88 K N 1.367 121.803 120.400 0.061 0.000 2.156 88 K HA 0.293 4.621 4.320 0.012 0.000 0.254 88 K C -0.663 176.021 176.600 0.141 0.000 0.950 88 K CA -0.786 55.563 56.287 0.104 0.000 0.849 88 K CB 1.442 33.982 32.500 0.067 0.000 1.100 88 K HN 0.488 nan 8.250 nan 0.000 0.434 89 W N 3.698 125.004 121.300 0.010 0.000 2.216 89 W HA 0.075 4.740 4.660 0.008 0.000 0.326 89 W C -0.305 176.212 176.519 -0.004 0.000 1.319 89 W CA -0.301 57.048 57.345 0.007 0.000 1.213 89 W CB 0.213 29.686 29.460 0.022 0.000 1.171 89 W HN 0.609 nan 8.180 nan 0.000 0.557 90 N N 4.213 122.554 118.700 -0.597 0.000 2.421 90 N HA 0.559 5.307 4.740 0.012 0.000 0.285 90 N C 0.026 174.765 175.510 -1.284 0.000 1.027 90 N CA -0.674 51.929 53.050 -0.744 0.000 0.918 90 N CB 1.512 39.783 38.487 -0.360 0.000 1.152 90 N HN 0.609 nan 8.380 nan 0.000 0.485 91 G N 0.380 108.498 108.800 -1.138 0.000 2.484 91 G HA2 0.307 4.275 3.960 0.012 0.000 0.235 91 G HA3 0.307 4.275 3.960 0.012 0.000 0.235 91 G C 0.532 175.204 174.900 -0.379 0.000 1.282 91 G CA -0.373 44.163 45.100 -0.941 0.000 0.857 91 G HN 1.105 nan 8.290 nan 0.000 0.571 92 V N 0.150 120.010 119.914 -0.090 0.000 3.983 92 V HA -0.178 3.949 4.120 0.012 0.000 0.229 92 V C 0.099 176.243 176.094 0.084 0.000 0.420 92 V CA 1.640 63.957 62.300 0.028 0.000 0.955 92 V CB -2.076 29.731 31.823 -0.026 0.000 1.033 92 V HN 1.066 nan 8.190 nan 0.000 1.286 93 D N 0.248 120.760 120.400 0.187 0.000 2.629 93 D HA 0.529 5.177 4.640 0.012 0.000 0.250 93 D C -0.535 176.003 176.300 0.396 0.000 1.126 93 D CA -0.459 53.678 54.000 0.228 0.000 0.852 93 D CB 1.619 42.489 40.800 0.117 0.000 1.335 93 D HN 0.181 nan 8.370 nan 0.000 0.518 94 D N 1.435 121.994 120.400 0.266 0.000 2.382 94 D HA 0.295 4.942 4.640 0.012 0.000 0.245 94 D C 0.067 176.569 176.300 0.336 0.000 1.120 94 D CA 0.044 54.204 54.000 0.266 0.000 0.890 94 D CB 1.229 42.177 40.800 0.248 0.000 1.201 94 D HN 0.196 nan 8.370 nan 0.000 0.433 95 V N -0.436 119.641 119.914 0.271 0.000 3.126 95 V HA 0.597 4.725 4.120 0.012 0.000 0.314 95 V C -0.666 175.561 176.094 0.222 0.000 1.138 95 V CA -1.002 61.492 62.300 0.324 0.000 1.034 95 V CB 1.900 33.796 31.823 0.122 0.000 1.075 95 V HN 0.335 nan 8.190 nan 0.000 0.442 96 Q N 1.719 121.636 119.800 0.195 0.000 2.325 96 Q HA 0.545 4.893 4.340 0.012 0.000 0.270 96 Q C -0.886 175.086 176.000 -0.046 0.000 1.020 96 Q CA -0.436 55.322 55.803 -0.075 0.000 0.785 96 Q CB 2.201 30.695 28.738 -0.407 0.000 1.259 96 Q HN 0.881 nan 8.270 nan 0.000 0.452 97 M N 4.113 123.663 119.600 -0.084 0.000 2.180 97 M HA 0.359 4.846 4.480 0.012 0.000 0.358 97 M C -1.009 175.203 176.300 -0.146 0.000 1.233 97 M CA -0.319 54.922 55.300 -0.099 0.000 1.114 97 M CB 0.532 33.059 32.600 -0.122 0.000 1.594 97 M HN 0.611 nan 8.290 nan 0.000 0.467 98 I N 6.322 126.815 120.570 -0.128 0.000 2.260 98 I HA 0.139 4.316 4.170 0.012 0.000 0.297 98 I C -0.587 175.417 176.117 -0.189 0.000 1.143 98 I CA -0.617 60.598 61.300 -0.141 0.000 1.271 98 I CB 0.238 38.179 38.000 -0.099 0.000 1.461 98 I HN 0.385 nan 8.210 nan 0.000 0.530 99 V N 7.584 127.345 119.914 -0.254 0.000 2.415 99 V HA 0.065 4.192 4.120 0.012 0.000 0.267 99 V C 0.427 176.365 176.094 -0.260 0.000 1.042 99 V CA -0.276 61.797 62.300 -0.379 0.000 1.000 99 V CB 0.957 32.462 31.823 -0.529 0.000 1.015 99 V HN 0.389 nan 8.190 nan 0.000 0.478 100 V N 5.289 125.069 119.914 -0.223 0.000 2.239 100 V HA 0.290 4.418 4.120 0.012 0.000 0.267 100 V C 0.320 176.343 176.094 -0.119 0.000 1.056 100 V CA -0.414 61.806 62.300 -0.133 0.000 0.830 100 V CB 0.781 32.555 31.823 -0.081 0.000 1.090 100 V HN 0.921 nan 8.190 nan 0.000 0.459 101 E N 6.187 126.321 120.200 -0.111 0.000 2.249 101 E HA 0.343 4.701 4.350 0.012 0.000 0.280 101 E C -2.361 174.235 176.600 -0.007 0.000 1.016 101 E CA -2.399 53.972 56.400 -0.049 0.000 0.830 101 E CB 1.542 31.240 29.700 -0.003 0.000 1.081 101 E HN 0.327 nan 8.360 nan 0.000 0.395 102 P HA -0.061 nan 4.420 nan 0.000 0.256 102 P C 0.520 177.835 177.300 0.026 0.000 1.173 102 P CA 1.224 64.340 63.100 0.027 0.000 0.768 102 P CB 0.352 32.084 31.700 0.052 0.000 0.758 103 G N 2.881 111.692 108.800 0.019 0.000 2.336 103 G HA2 -0.203 3.765 3.960 0.012 0.000 0.233 103 G HA3 -0.203 3.765 3.960 0.012 0.000 0.233 103 G C 0.076 174.983 174.900 0.011 0.000 1.053 103 G CA -0.187 44.924 45.100 0.019 0.000 0.625 103 G HN 0.514 nan 8.290 nan 0.000 0.511 104 K N 2.071 122.474 120.400 0.006 0.000 2.118 104 K HA 0.531 4.858 4.320 0.012 0.000 0.267 104 K C -2.166 174.424 176.600 -0.016 0.000 0.991 104 K CA -1.885 54.401 56.287 -0.001 0.000 0.916 104 K CB 1.497 34.001 32.500 0.007 0.000 1.041 104 K HN 0.277 nan 8.250 nan 0.000 0.455 105 P HA 0.074 nan 4.420 nan 0.000 0.272 105 P C -0.732 176.540 177.300 -0.048 0.000 1.240 105 P CA -0.464 62.618 63.100 -0.030 0.000 0.791 105 P CB 0.443 32.128 31.700 -0.026 0.000 0.978 106 A N 2.261 125.046 122.820 -0.059 0.000 2.491 106 A HA 0.382 4.710 4.320 0.012 0.000 0.261 106 A C 0.234 177.768 177.584 -0.084 0.000 1.101 106 A CA 0.039 52.027 52.037 -0.081 0.000 0.772 106 A CB -0.974 17.976 19.000 -0.084 0.000 1.043 106 A HN 0.443 nan 8.150 nan 0.000 0.501 107 I N 2.735 123.243 120.570 -0.103 0.000 2.533 107 I HA 0.219 4.396 4.170 0.012 0.000 0.290 107 I C -0.067 175.972 176.117 -0.131 0.000 1.056 107 I CA -0.350 60.890 61.300 -0.100 0.000 1.057 107 I CB 2.166 40.123 38.000 -0.073 0.000 1.240 107 I HN 0.680 nan 8.210 nan 0.000 0.423 108 N N 4.516 123.134 118.700 -0.136 0.000 2.472 108 N HA 0.466 5.214 4.740 0.012 0.000 0.277 108 N C -1.213 174.200 175.510 -0.161 0.000 1.081 108 N CA -0.370 52.577 53.050 -0.171 0.000 0.973 108 N CB 1.930 40.288 38.487 -0.214 0.000 1.105 108 N HN 0.172 nan 8.380 nan 0.000 0.470 109 V N 2.564 122.383 119.914 -0.158 0.000 2.482 109 V HA 0.162 4.289 4.120 0.012 0.000 0.295 109 V C -0.206 175.821 176.094 -0.112 0.000 1.026 109 V CA -0.683 61.552 62.300 -0.108 0.000 0.856 109 V CB 1.562 33.361 31.823 -0.039 0.000 1.001 109 V HN 0.656 nan 8.190 nan 0.000 0.424 110 Q N 3.227 122.956 119.800 -0.118 0.000 2.261 110 Q HA 0.702 5.050 4.340 0.012 0.000 0.252 110 Q C -0.229 175.759 176.000 -0.021 0.000 0.915 110 Q CA -0.131 55.617 55.803 -0.092 0.000 0.915 110 Q CB 1.452 30.118 28.738 -0.119 0.000 1.204 110 Q HN 0.949 nan 8.270 nan 0.000 0.421 111 T N 0.360 114.917 114.554 0.005 0.000 2.792 111 T HA 0.424 4.782 4.350 0.012 0.000 0.303 111 T C -1.213 173.500 174.700 0.022 0.000 1.310 111 T CA -1.108 61.001 62.100 0.014 0.000 1.007 111 T CB 1.218 70.089 68.868 0.005 0.000 1.335 111 T HN 0.505 nan 8.240 nan 0.000 0.504 112 K N 1.748 122.160 120.400 0.019 0.000 2.316 112 K HA 0.535 4.863 4.320 0.012 0.000 0.267 112 K C -2.615 173.962 176.600 -0.039 0.000 1.025 112 K CA -1.953 54.354 56.287 0.033 0.000 0.896 112 K CB 0.562 33.104 32.500 0.070 0.000 1.124 112 K HN 0.350 nan 8.250 nan 0.000 0.451 113 P HA 0.149 nan 4.420 nan 0.000 0.272 113 P C -0.255 176.956 177.300 -0.149 0.000 1.230 113 P CA -0.443 62.465 63.100 -0.321 0.000 0.788 113 P CB 1.153 32.302 31.700 -0.919 0.000 0.949 114 G N 0.282 108.964 108.800 -0.196 0.000 2.857 114 G HA2 0.734 4.701 3.960 0.012 0.000 0.217 114 G HA3 0.734 4.701 3.960 0.012 0.000 0.217 114 G C -1.056 173.759 174.900 -0.142 0.000 1.357 114 G CA -0.767 44.254 45.100 -0.131 0.000 1.033 114 G HN 0.428 nan 8.290 nan 0.000 0.571 115 I N -0.488 119.971 120.570 -0.184 0.000 2.533 115 I HA 0.370 4.547 4.170 0.012 0.000 0.290 115 I C -1.445 174.540 176.117 -0.220 0.000 1.056 115 I CA -0.430 60.804 61.300 -0.108 0.000 1.057 115 I CB 2.497 40.523 38.000 0.043 0.000 1.240 115 I HN 0.118 nan 8.210 nan 0.000 0.423 116 F N 3.936 123.913 119.950 0.044 0.000 2.420 116 F HA 0.420 4.956 4.527 0.015 0.000 0.342 116 F C 0.500 176.315 175.800 0.026 0.000 1.113 116 F CA -0.975 57.037 58.000 0.020 0.000 1.059 116 F CB 1.437 40.437 39.000 0.001 0.000 1.128 116 F HN 0.214 nan 8.300 nan 0.000 0.475 117 K N 2.869 123.407 120.400 0.229 0.000 2.180 117 K HA 0.225 4.552 4.320 0.012 0.000 0.250 117 K C 0.203 176.852 176.600 0.081 0.000 1.135 117 K CA -0.312 56.048 56.287 0.122 0.000 1.037 117 K CB 0.124 32.674 32.500 0.083 0.000 1.624 117 K HN 0.744 nan 8.250 nan 0.000 0.382 118 T N -2.262 112.337 114.554 0.075 0.000 2.814 118 T HA 0.316 4.674 4.350 0.012 0.000 0.284 118 T C 1.526 176.206 174.700 -0.033 0.000 0.998 118 T CA -0.511 61.598 62.100 0.015 0.000 0.935 118 T CB 1.326 70.210 68.868 0.027 0.000 1.167 118 T HN 0.270 nan 8.240 nan 0.000 0.545 119 A N -0.234 122.521 122.820 -0.108 0.000 1.930 119 A HA 0.024 4.351 4.320 0.012 0.000 0.217 119 A C 1.101 178.462 177.584 -0.371 0.000 1.175 119 A CA 0.764 52.642 52.037 -0.266 0.000 0.627 119 A CB -0.762 18.008 19.000 -0.384 0.000 0.815 119 A HN 0.867 nan 8.150 nan 0.000 0.443 120 H N -0.550 118.531 119.070 0.018 0.000 2.691 120 H HA 0.451 5.015 4.556 0.013 0.000 0.281 120 H C 1.111 176.459 175.328 0.033 0.000 1.121 120 H CA 0.248 56.309 56.048 0.022 0.000 1.254 120 H CB -0.007 29.764 29.762 0.016 0.000 1.390 120 H HN 0.646 nan 8.280 nan 0.000 0.491 121 G N 3.523 112.396 108.800 0.120 0.000 2.539 121 G HA2 -0.248 3.719 3.960 0.012 0.000 0.256 121 G HA3 -0.248 3.719 3.960 0.012 0.000 0.256 121 G C -0.429 174.520 174.900 0.083 0.000 1.233 121 G CA -0.434 44.721 45.100 0.090 0.000 0.936 121 G HN 0.553 nan 8.290 nan 0.000 0.571 122 E N -0.544 119.711 120.200 0.091 0.000 2.199 122 E HA 0.614 4.972 4.350 0.012 0.000 0.269 122 E C -0.377 176.314 176.600 0.151 0.000 0.899 122 E CA -0.679 55.788 56.400 0.112 0.000 0.772 122 E CB 2.148 31.903 29.700 0.092 0.000 1.155 122 E HN 0.451 nan 8.360 nan 0.000 0.408 123 I N 1.886 122.571 120.570 0.192 0.000 2.392 123 I HA 0.275 4.452 4.170 0.012 0.000 0.295 123 I C 0.740 177.000 176.117 0.238 0.000 0.985 123 I CA -0.484 60.950 61.300 0.224 0.000 1.221 123 I CB 1.563 39.697 38.000 0.224 0.000 1.366 123 I HN 0.560 nan 8.210 nan 0.000 0.467 124 G N 4.383 113.307 108.800 0.208 0.000 2.491 124 G HA2 0.502 4.470 3.960 0.012 0.000 0.242 124 G HA3 0.502 4.470 3.960 0.012 0.000 0.242 124 G C -0.625 174.243 174.900 -0.053 0.000 1.266 124 G CA -0.230 44.918 45.100 0.080 0.000 0.844 124 G HN 0.757 nan 8.290 nan 0.000 0.571 125 A N 1.559 124.213 122.820 -0.278 0.000 2.411 125 A HA 0.571 4.899 4.320 0.012 0.000 0.285 125 A C -0.613 176.798 177.584 -0.289 0.000 1.129 125 A CA -0.449 51.380 52.037 -0.347 0.000 0.736 125 A CB 1.590 20.022 19.000 -0.947 0.000 1.186 125 A HN 0.817 nan 8.150 nan 0.000 0.445 126 V N 2.921 122.740 119.914 -0.158 0.000 2.432 126 V HA 0.346 4.474 4.120 0.012 0.000 0.275 126 V C 0.947 177.037 176.094 -0.006 0.000 1.043 126 V CA 0.200 62.450 62.300 -0.083 0.000 0.925 126 V CB 1.558 33.391 31.823 0.016 0.000 0.985 126 V HN 1.019 nan 8.190 nan 0.000 0.466 127 S N 6.491 122.189 115.700 -0.004 0.000 3.965 127 S HA 0.561 5.038 4.470 0.012 0.000 0.195 127 S C -0.580 174.087 174.600 0.112 0.000 1.449 127 S CA -0.473 57.750 58.200 0.038 0.000 0.965 127 S CB -0.636 62.564 63.200 0.001 0.000 1.459 127 S HN 0.511 nan 8.310 nan 0.000 0.476 128 L N 1.813 123.172 121.223 0.226 0.000 2.409 128 L HA 0.508 4.855 4.340 0.012 0.000 0.272 128 L C -0.816 176.314 176.870 0.433 0.000 0.980 128 L CA -0.652 54.363 54.840 0.292 0.000 0.826 128 L CB 1.941 44.239 42.059 0.398 0.000 1.268 128 L HN 0.338 nan 8.230 nan 0.000 0.407 129 D N 2.693 123.184 120.400 0.152 0.000 2.359 129 D HA 0.362 5.009 4.640 0.012 0.000 0.230 129 D C -1.451 174.695 176.300 -0.257 0.000 1.118 129 D CA 0.178 54.258 54.000 0.133 0.000 0.844 129 D CB 0.690 41.468 40.800 -0.036 0.000 1.059 129 D HN 0.185 nan 8.370 nan 0.000 0.493 130 Y N 2.365 122.775 120.300 0.183 0.000 2.553 130 Y HA 0.349 4.906 4.550 0.012 0.000 0.347 130 Y C -1.767 174.174 175.900 0.068 0.000 1.019 130 Y CA -1.797 56.339 58.100 0.059 0.000 1.032 130 Y CB 1.898 40.313 38.460 -0.075 0.000 1.284 130 Y HN 0.257 nan 8.280 nan 0.000 0.466 131 P HA 0.184 nan 4.420 nan 0.000 0.269 131 P C 0.795 178.193 177.300 0.164 0.000 1.209 131 P CA 0.112 63.275 63.100 0.106 0.000 0.776 131 P CB 1.097 32.841 31.700 0.073 0.000 0.876 132 I N 1.031 121.676 120.570 0.125 0.000 2.502 132 I HA -0.216 3.962 4.170 0.012 0.000 0.258 132 I C 2.388 178.595 176.117 0.149 0.000 1.172 132 I CA 1.721 63.108 61.300 0.146 0.000 1.430 132 I CB -0.980 37.073 38.000 0.089 0.000 1.086 132 I HN 0.513 nan 8.210 nan 0.000 0.440 133 G N 0.645 109.521 108.800 0.127 0.000 2.470 133 G HA2 -0.184 3.783 3.960 0.012 0.000 0.220 133 G HA3 -0.184 3.783 3.960 0.012 0.000 0.220 133 G C 1.551 176.513 174.900 0.103 0.000 1.121 133 G CA 1.135 46.304 45.100 0.115 0.000 0.766 133 G HN 0.367 nan 8.290 nan 0.000 0.553 134 T N 1.077 115.701 114.554 0.116 0.000 3.072 134 T HA 0.089 4.446 4.350 0.012 0.000 0.266 134 T C 1.410 176.215 174.700 0.175 0.000 1.127 134 T CA 0.217 62.349 62.100 0.054 0.000 1.107 134 T CB 0.010 68.835 68.868 -0.072 0.000 0.910 134 T HN 0.134 nan 8.240 nan 0.000 0.513 135 S N 1.003 116.871 115.700 0.281 0.000 2.544 135 S HA 0.399 4.877 4.470 0.012 0.000 0.290 135 S C 1.526 176.260 174.600 0.224 0.000 1.276 135 S CA 0.521 58.910 58.200 0.315 0.000 1.075 135 S CB 0.293 63.611 63.200 0.196 0.000 0.849 135 S HN 0.725 nan 8.310 nan 0.000 0.494 136 G N 2.823 111.765 108.800 0.237 0.000 2.231 136 G HA2 -0.220 3.747 3.960 0.012 0.000 0.206 136 G HA3 -0.220 3.747 3.960 0.012 0.000 0.206 136 G C 0.168 175.145 174.900 0.128 0.000 0.996 136 G CA -0.168 45.038 45.100 0.177 0.000 0.645 136 G HN 0.698 nan 8.290 nan 0.000 0.498 137 S N 3.797 119.566 115.700 0.115 0.000 2.544 137 S HA 0.410 4.888 4.470 0.012 0.000 0.290 137 S C -1.676 172.948 174.600 0.040 0.000 1.276 137 S CA 0.114 58.326 58.200 0.019 0.000 1.075 137 S CB 1.197 64.330 63.200 -0.111 0.000 0.849 137 S HN 0.484 nan 8.310 nan 0.000 0.494 138 P HA 0.341 nan 4.420 nan 0.000 0.278 138 P C -0.818 176.481 177.300 -0.001 0.000 1.238 138 P CA -0.387 62.714 63.100 0.001 0.000 0.794 138 P CB 0.528 32.207 31.700 -0.035 0.000 0.955 139 I N 2.628 123.210 120.570 0.019 0.000 2.362 139 I HA 0.298 4.475 4.170 0.012 0.000 0.289 139 I C 0.482 176.625 176.117 0.044 0.000 0.994 139 I CA -0.975 60.340 61.300 0.024 0.000 1.158 139 I CB 1.786 39.799 38.000 0.022 0.000 1.315 139 I HN 0.141 nan 8.210 nan 0.000 0.451 140 V N 2.545 122.509 119.914 0.082 0.000 2.769 140 V HA 0.614 4.741 4.120 0.012 0.000 0.312 140 V C -0.024 176.211 176.094 0.235 0.000 1.058 140 V CA -0.845 61.531 62.300 0.127 0.000 0.952 140 V CB 1.628 33.525 31.823 0.124 0.000 1.019 140 V HN 0.592 nan 8.190 nan 0.000 0.445 141 N N 1.445 120.240 118.700 0.159 0.000 2.317 141 N HA 0.182 4.929 4.740 0.012 0.000 0.245 141 N C 1.627 177.117 175.510 -0.032 0.000 1.294 141 N CA 0.528 53.628 53.050 0.082 0.000 0.924 141 N CB 1.163 39.647 38.487 -0.004 0.000 1.186 141 N HN 1.004 nan 8.380 nan 0.000 0.495 142 S N 0.076 115.467 115.700 -0.515 0.000 2.399 142 S HA -0.098 4.380 4.470 0.012 0.000 0.231 142 S C 0.959 175.214 174.600 -0.576 0.000 1.022 142 S CA 0.908 58.402 58.200 -1.176 0.000 0.983 142 S CB -0.188 62.442 63.200 -0.949 0.000 0.803 142 S HN 0.505 nan 8.310 nan 0.000 0.480 143 N N 1.567 120.106 118.700 -0.268 0.000 2.461 143 N HA 0.181 4.928 4.740 0.012 0.000 0.188 143 N C 1.366 176.855 175.510 -0.035 0.000 1.134 143 N CA 0.839 53.810 53.050 -0.131 0.000 0.878 143 N CB 0.041 38.469 38.487 -0.099 0.000 0.972 143 N HN 0.719 nan 8.380 nan 0.000 0.456 144 G N 0.647 109.460 108.800 0.023 0.000 2.175 144 G HA2 -0.269 3.699 3.960 0.012 0.000 0.244 144 G HA3 -0.269 3.699 3.960 0.012 0.000 0.244 144 G C -0.153 174.768 174.900 0.035 0.000 0.982 144 G CA -0.173 44.978 45.100 0.086 0.000 0.641 144 G HN 0.418 nan 8.290 nan 0.000 0.527 145 E N -0.014 120.187 120.200 0.001 0.000 2.383 145 E HA 0.472 4.829 4.350 0.012 0.000 0.264 145 E C 0.520 177.095 176.600 -0.040 0.000 1.050 145 E CA -0.315 56.059 56.400 -0.043 0.000 0.896 145 E CB 1.002 30.677 29.700 -0.042 0.000 0.982 145 E HN 0.406 nan 8.360 nan 0.000 0.424 146 I N 3.684 124.184 120.570 -0.117 0.000 2.352 146 I HA 0.028 4.205 4.170 0.012 0.000 0.290 146 I C 0.838 176.926 176.117 -0.048 0.000 1.036 146 I CA 0.043 61.283 61.300 -0.099 0.000 1.336 146 I CB 0.435 38.313 38.000 -0.203 0.000 1.407 146 I HN 0.527 nan 8.210 nan 0.000 0.497 147 I N 2.779 123.363 120.570 0.024 0.000 3.928 147 I HA 0.649 4.826 4.170 0.012 0.000 0.335 147 I C 0.686 176.862 176.117 0.098 0.000 1.325 147 I CA -0.102 61.246 61.300 0.080 0.000 1.107 147 I CB -0.010 38.080 38.000 0.150 0.000 1.014 147 I HN 0.612 nan 8.210 nan 0.000 0.400 148 G N 0.524 109.370 108.800 0.076 0.000 2.359 148 G HA2 0.345 4.313 3.960 0.012 0.000 0.293 148 G HA3 0.345 4.313 3.960 0.012 0.000 0.293 148 G C -1.852 173.112 174.900 0.106 0.000 1.300 148 G CA -1.020 44.151 45.100 0.118 0.000 0.888 148 G HN 0.144 nan 8.290 nan 0.000 0.541 149 L N -0.255 121.058 121.223 0.148 0.000 2.354 149 L HA 0.526 4.874 4.340 0.012 0.000 0.269 149 L C -0.469 176.494 176.870 0.155 0.000 1.005 149 L CA -1.149 53.783 54.840 0.154 0.000 0.819 149 L CB 2.248 44.428 42.059 0.201 0.000 1.311 149 L HN 0.678 nan 8.230 nan 0.000 0.423 150 Y N 1.237 121.561 120.300 0.040 0.000 2.605 150 Y HA 0.424 4.981 4.550 0.012 0.000 0.336 150 Y C 0.480 176.417 175.900 0.061 0.000 1.111 150 Y CA 0.221 58.342 58.100 0.036 0.000 1.422 150 Y CB 0.683 39.149 38.460 0.011 0.000 1.193 150 Y HN 0.594 nan 8.280 nan 0.000 0.526 151 G N 4.310 112.897 108.800 -0.355 0.000 3.209 151 G HA2 0.224 4.191 3.960 0.012 0.000 0.236 151 G HA3 0.224 4.191 3.960 0.012 0.000 0.236 151 G C -1.133 173.550 174.900 -0.362 0.000 1.329 151 G CA -1.312 43.645 45.100 -0.238 0.000 1.015 151 G HN 0.549 nan 8.290 nan 0.000 0.571 152 N N -0.088 118.482 118.700 -0.216 0.000 2.518 152 N HA 0.453 5.200 4.740 0.012 0.000 0.266 152 N C 0.722 176.073 175.510 -0.265 0.000 1.196 152 N CA 0.322 53.244 53.050 -0.213 0.000 0.947 152 N CB 1.468 39.835 38.487 -0.200 0.000 1.098 152 N HN 0.653 nan 8.380 nan 0.000 0.450 153 G N 0.046 108.646 108.800 -0.335 0.000 2.630 153 G HA2 0.534 4.501 3.960 0.012 0.000 0.223 153 G HA3 0.534 4.501 3.960 0.012 0.000 0.223 153 G C -0.900 173.826 174.900 -0.290 0.000 1.434 153 G CA -0.335 44.521 45.100 -0.406 0.000 1.057 153 G HN 0.360 nan 8.290 nan 0.000 0.570 154 V N 0.201 119.958 119.914 -0.262 0.000 2.709 154 V HA 0.307 4.435 4.120 0.012 0.000 0.308 154 V C -0.277 175.776 176.094 -0.067 0.000 1.062 154 V CA -0.553 61.635 62.300 -0.187 0.000 0.901 154 V CB 1.891 33.541 31.823 -0.289 0.000 1.003 154 V HN 0.563 nan 8.190 nan 0.000 0.425 155 I N 5.479 126.037 120.570 -0.020 0.000 2.453 155 I HA 0.140 4.317 4.170 0.012 0.000 0.300 155 I C 0.184 176.316 176.117 0.025 0.000 1.159 155 I CA 0.575 61.895 61.300 0.034 0.000 1.379 155 I CB -0.436 37.584 38.000 0.033 0.000 1.460 155 I HN 0.401 nan 8.210 nan 0.000 0.601 156 L N 3.995 125.245 121.223 0.045 0.000 2.569 156 L HA 0.519 4.866 4.340 0.012 0.000 0.247 156 L C 1.309 178.207 176.870 0.045 0.000 1.135 156 L CA -0.841 54.027 54.840 0.046 0.000 0.812 156 L CB 0.395 42.499 42.059 0.075 0.000 1.431 156 L HN 0.567 nan 8.230 nan 0.000 0.499 157 G N 0.476 109.302 108.800 0.044 0.000 2.109 157 G HA2 -0.142 3.826 3.960 0.012 0.000 0.249 157 G HA3 -0.142 3.826 3.960 0.012 0.000 0.249 157 G C 0.644 175.565 174.900 0.035 0.000 1.126 157 G CA 0.090 45.212 45.100 0.036 0.000 0.923 157 G HN 0.857 nan 8.290 nan 0.000 0.439 158 N N 0.602 119.319 118.700 0.028 0.000 1.960 158 N HA -0.255 4.493 4.740 0.012 0.000 0.168 158 N C 1.057 176.584 175.510 0.029 0.000 0.356 158 N CA 2.843 55.907 53.050 0.025 0.000 2.187 158 N CB -0.840 37.659 38.487 0.020 0.000 0.718 158 N HN 1.256 nan 8.380 nan 0.000 1.117 159 G N -1.304 107.517 108.800 0.036 0.000 2.354 159 G HA2 0.770 4.737 3.960 0.012 0.000 0.285 159 G HA3 0.770 4.737 3.960 0.012 0.000 0.285 159 G C -1.398 173.536 174.900 0.057 0.000 1.390 159 G CA 0.378 45.503 45.100 0.042 0.000 1.231 159 G HN 0.564 nan 8.290 nan 0.000 0.603 160 A N 1.540 124.410 122.820 0.085 0.000 2.605 160 A HA 0.777 5.105 4.320 0.012 0.000 0.294 160 A C -2.253 175.447 177.584 0.193 0.000 1.062 160 A CA -0.746 51.358 52.037 0.112 0.000 0.682 160 A CB 1.613 20.666 19.000 0.088 0.000 1.278 160 A HN 1.481 nan 8.150 nan 0.000 0.410 161 Y N 1.481 121.807 120.300 0.044 0.000 2.475 161 Y HA 0.523 5.081 4.550 0.013 0.000 0.343 161 Y C -1.454 174.496 175.900 0.082 0.000 1.068 161 Y CA -0.454 57.679 58.100 0.055 0.000 1.307 161 Y CB 1.447 39.932 38.460 0.041 0.000 1.097 161 Y HN 0.555 nan 8.280 nan 0.000 0.530 162 V N 4.432 124.278 119.914 -0.114 0.000 2.357 162 V HA 0.428 4.555 4.120 0.012 0.000 0.284 162 V C 0.075 176.094 176.094 -0.126 0.000 1.018 162 V CA -0.535 61.732 62.300 -0.054 0.000 0.841 162 V CB 1.468 33.318 31.823 0.046 0.000 0.991 162 V HN 0.722 nan 8.190 nan 0.000 0.437 163 S N 3.343 118.918 115.700 -0.208 0.000 2.586 163 S HA 0.705 5.182 4.470 0.012 0.000 0.274 163 S C 0.376 174.939 174.600 -0.063 0.000 1.281 163 S CA -0.307 57.718 58.200 -0.292 0.000 1.035 163 S CB 1.442 64.297 63.200 -0.575 0.000 0.962 163 S HN 1.003 nan 8.310 nan 0.000 0.512 164 A N 2.769 125.560 122.820 -0.049 0.000 2.327 164 A HA 0.570 4.898 4.320 0.012 0.000 0.283 164 A C -0.136 177.439 177.584 -0.014 0.000 1.127 164 A CA -0.600 51.479 52.037 0.070 0.000 0.810 164 A CB -0.050 18.981 19.000 0.052 0.000 1.066 164 A HN 0.822 nan 8.150 nan 0.000 0.492 165 I N 2.731 123.315 120.570 0.022 0.000 2.406 165 I HA 0.085 4.262 4.170 0.012 0.000 0.293 165 I C -0.322 175.835 176.117 0.065 0.000 1.101 165 I CA -0.089 61.227 61.300 0.027 0.000 1.334 165 I CB 0.694 38.695 38.000 0.001 0.000 1.421 165 I HN 0.264 nan 8.210 nan 0.000 0.513 166 V N 6.886 126.844 119.914 0.074 0.000 2.405 166 V HA 0.263 4.390 4.120 0.012 0.000 0.264 166 V C 0.111 176.293 176.094 0.146 0.000 1.048 166 V CA 0.094 62.449 62.300 0.091 0.000 0.966 166 V CB 0.620 32.500 31.823 0.095 0.000 1.015 166 V HN 0.773 nan 8.190 nan 0.000 0.477 167 Q N 3.597 123.465 119.800 0.112 0.000 2.756 167 Q HA 0.713 5.060 4.340 0.012 0.000 0.295 167 Q C -0.518 175.525 176.000 0.072 0.000 0.903 167 Q CA 0.387 56.282 55.803 0.154 0.000 0.768 167 Q CB 2.052 30.900 28.738 0.183 0.000 1.472 167 Q HN 1.184 nan 8.270 nan 0.000 0.416 177 E N 0.088 120.373 120.200 0.142 0.000 2.450 177 E HA 0.902 5.260 4.350 0.012 0.000 0.272 177 E C -1.436 175.231 176.600 0.110 0.000 0.967 177 E CA -1.255 55.215 56.400 0.116 0.000 0.818 177 E CB 2.575 32.343 29.700 0.114 0.000 1.401 177 E HN 0.602 nan 8.360 nan 0.000 0.450 178 A N 0.890 123.766 122.820 0.093 0.000 2.540 178 A HA 0.348 4.676 4.320 0.012 0.000 0.297 178 A C -1.910 175.738 177.584 0.107 0.000 1.056 178 A CA -0.654 51.442 52.037 0.098 0.000 0.700 178 A CB 0.597 19.633 19.000 0.059 0.000 1.280 178 A HN 0.598 nan 8.150 nan 0.000 0.398 179 Y N 2.477 122.793 120.300 0.028 0.000 2.411 179 Y HA 0.542 5.098 4.550 0.011 0.000 0.333 179 Y C -0.011 175.898 175.900 0.014 0.000 1.186 179 Y CA 0.332 58.442 58.100 0.018 0.000 1.381 179 Y CB 0.621 39.092 38.460 0.018 0.000 1.273 179 Y HN 0.735 nan 8.280 nan 0.000 0.546 180 N N 5.723 123.927 118.700 -0.826 0.000 2.225 180 N HA 0.423 5.170 4.740 0.012 0.000 0.298 180 N C -2.427 172.560 175.510 -0.871 0.000 1.076 180 N CA -2.379 50.251 53.050 -0.700 0.000 0.792 180 N CB 2.406 40.717 38.487 -0.294 0.000 1.498 180 N HN 0.283 nan 8.380 nan 0.000 0.474 181 P HA -0.026 nan 4.420 nan 0.000 0.223 181 P C 0.374 177.579 177.300 -0.157 0.000 1.151 181 P CA 0.868 63.800 63.100 -0.280 0.000 0.787 181 P CB 0.403 32.021 31.700 -0.135 0.000 0.788 182 E N -1.010 119.095 120.200 -0.159 0.000 2.418 182 E HA -0.009 4.348 4.350 0.012 0.000 0.197 182 E C 1.664 178.218 176.600 -0.077 0.000 1.026 182 E CA 0.748 57.091 56.400 -0.094 0.000 0.862 182 E CB -0.449 29.202 29.700 -0.081 0.000 0.799 182 E HN 0.417 nan 8.360 nan 0.000 0.518 183 M N -0.054 119.486 119.600 -0.100 0.000 2.476 183 M HA -0.043 4.445 4.480 0.012 0.000 0.262 183 M C 1.789 178.080 176.300 -0.015 0.000 1.079 183 M CA 0.826 56.096 55.300 -0.051 0.000 1.104 183 M CB -0.045 32.533 32.600 -0.037 0.000 1.409 183 M HN 0.022 nan 8.290 nan 0.000 0.467 184 L N -0.352 120.867 121.223 -0.008 0.000 2.599 184 L HA 0.039 4.387 4.340 0.012 0.000 0.230 184 L C 0.546 177.416 176.870 -0.001 0.000 1.141 184 L CA 0.092 54.940 54.840 0.014 0.000 0.877 184 L CB -0.663 41.416 42.059 0.033 0.000 1.009 184 L HN 0.157 nan 8.230 nan 0.000 0.447 185 K N 0.907 121.300 120.400 -0.012 0.000 2.414 185 K HA -0.001 4.326 4.320 0.012 0.000 0.272 185 K C 0.925 177.520 176.600 -0.007 0.000 0.993 185 K CA -0.093 56.187 56.287 -0.012 0.000 0.964 185 K CB 0.892 33.382 32.500 -0.017 0.000 0.925 185 K HN 0.028 nan 8.250 nan 0.000 0.487 186 K N 1.913 122.311 120.400 -0.004 0.000 2.044 186 K HA -0.204 4.123 4.320 0.012 0.000 0.210 186 K C 1.499 178.099 176.600 0.001 0.000 1.049 186 K CA 1.626 57.914 56.287 0.003 0.000 0.927 186 K CB -0.014 32.489 32.500 0.003 0.000 0.713 186 K HN 0.393 nan 8.250 nan 0.000 0.443 187 R N 0.643 121.140 120.500 -0.005 0.000 2.313 187 R HA 0.045 4.392 4.340 0.012 0.000 0.199 187 R C 0.030 176.321 176.300 -0.016 0.000 0.958 187 R CA 0.172 56.267 56.100 -0.009 0.000 1.047 187 R CB 0.255 30.550 30.300 -0.008 0.000 0.955 187 R HN 0.167 nan 8.270 nan 0.000 0.481 188 Q N 1.022 120.810 119.800 -0.020 0.000 2.243 188 Q HA 0.298 4.646 4.340 0.012 0.000 0.252 188 Q C -0.795 175.171 176.000 -0.056 0.000 0.909 188 Q CA -0.255 55.529 55.803 -0.031 0.000 0.922 188 Q CB 2.138 30.858 28.738 -0.029 0.000 1.215 188 Q HN 0.138 nan 8.270 nan 0.000 0.427 189 L N 1.909 123.090 121.223 -0.069 0.000 2.406 189 L HA 0.471 4.819 4.340 0.012 0.000 0.270 189 L C -1.177 175.631 176.870 -0.103 0.000 0.982 189 L CA -0.072 54.684 54.840 -0.140 0.000 0.843 189 L CB 1.755 43.733 42.059 -0.136 0.000 1.225 189 L HN 0.502 nan 8.230 nan 0.000 0.412 190 T N 3.259 117.738 114.554 -0.126 0.000 2.861 190 T HA 0.341 4.698 4.350 0.012 0.000 0.287 190 T C -0.882 173.800 174.700 -0.030 0.000 1.003 190 T CA -0.454 61.619 62.100 -0.045 0.000 0.977 190 T CB 2.259 71.120 68.868 -0.012 0.000 0.996 190 T HN 0.295 nan 8.240 nan 0.000 0.448 191 V N 4.947 124.887 119.914 0.043 0.000 2.318 191 V HA 0.531 4.659 4.120 0.012 0.000 0.271 191 V C -1.083 175.058 176.094 0.079 0.000 1.030 191 V CA -0.655 61.706 62.300 0.102 0.000 0.844 191 V CB 0.008 31.934 31.823 0.172 0.000 1.015 191 V HN 0.677 nan 8.190 nan 0.000 0.460 192 L N 5.632 126.900 121.223 0.074 0.000 2.325 192 L HA 0.554 4.902 4.340 0.012 0.000 0.279 192 L C 0.228 177.095 176.870 -0.005 0.000 1.054 192 L CA 0.134 55.000 54.840 0.043 0.000 0.804 192 L CB 1.472 43.568 42.059 0.061 0.000 1.200 192 L HN 0.574 nan 8.230 nan 0.000 0.436 193 D N 3.192 123.547 120.400 -0.075 0.000 2.499 193 D HA 0.216 4.863 4.640 0.012 0.000 0.225 193 D C -0.819 175.234 176.300 -0.413 0.000 1.124 193 D CA -0.442 53.432 54.000 -0.211 0.000 0.938 193 D CB 0.287 40.956 40.800 -0.219 0.000 1.014 193 D HN 0.165 nan 8.370 nan 0.000 0.517 194 L N 4.791 125.875 121.223 -0.233 0.000 2.433 194 L HA 0.075 4.423 4.340 0.012 0.000 0.275 194 L C 0.705 177.449 176.870 -0.209 0.000 1.128 194 L CA 0.109 54.840 54.840 -0.181 0.000 0.875 194 L CB 0.426 42.447 42.059 -0.064 0.000 1.171 194 L HN 0.255 nan 8.230 nan 0.000 0.463 195 H N 4.776 123.858 119.070 0.019 0.000 2.934 195 H HA 0.192 4.757 4.556 0.015 0.000 0.273 195 H C -1.983 173.353 175.328 0.013 0.000 1.121 195 H CA -1.981 54.075 56.048 0.014 0.000 1.451 195 H CB 0.191 29.963 29.762 0.016 0.000 1.469 195 H HN 0.392 nan 8.280 nan 0.000 0.476 196 P HA 0.077 nan 4.420 nan 0.000 0.266 196 P C 0.925 178.265 177.300 0.067 0.000 1.193 196 P CA 0.616 63.752 63.100 0.060 0.000 0.770 196 P CB 0.921 32.648 31.700 0.045 0.000 0.836 197 G N 1.073 109.903 108.800 0.051 0.000 2.178 197 G HA2 0.104 4.071 3.960 0.012 0.000 0.147 197 G HA3 0.104 4.071 3.960 0.012 0.000 0.147 197 G C 0.233 175.156 174.900 0.039 0.000 1.245 197 G CA 0.079 45.207 45.100 0.047 0.000 1.275 197 G HN 0.522 nan 8.290 nan 0.000 0.491 198 A N 0.442 123.285 122.820 0.038 0.000 2.308 198 A HA 0.625 4.953 4.320 0.012 0.000 0.217 198 A C 1.987 179.591 177.584 0.033 0.000 1.216 198 A CA 1.692 53.748 52.037 0.031 0.000 0.864 198 A CB -0.242 18.775 19.000 0.028 0.000 0.902 198 A HN 1.893 nan 8.150 nan 0.000 0.499 199 G N -0.094 108.732 108.800 0.044 0.000 2.651 199 G HA2 0.005 3.972 3.960 0.012 0.000 0.207 199 G HA3 0.005 3.972 3.960 0.012 0.000 0.207 199 G C 1.447 176.372 174.900 0.042 0.000 1.131 199 G CA 0.698 45.828 45.100 0.050 0.000 0.816 199 G HN 0.461 nan 8.290 nan 0.000 0.534 200 K N 0.122 120.546 120.400 0.040 0.000 1.965 200 K HA -0.083 4.245 4.320 0.012 0.000 0.218 200 K C 1.940 178.540 176.600 -0.001 0.000 1.048 200 K CA 2.068 58.366 56.287 0.018 0.000 0.960 200 K CB -0.316 32.194 32.500 0.015 0.000 0.732 200 K HN 0.190 nan 8.250 nan 0.000 0.444 201 T N 0.777 115.333 114.554 0.002 0.000 3.069 201 T HA 0.181 4.539 4.350 0.012 0.000 0.252 201 T C 1.328 176.027 174.700 -0.002 0.000 1.053 201 T CA -0.282 61.815 62.100 -0.004 0.000 0.964 201 T CB 0.269 69.138 68.868 0.002 0.000 1.005 201 T HN 0.168 nan 8.240 nan 0.000 0.532 202 R N 1.276 121.779 120.500 0.005 0.000 2.100 202 R HA 0.256 4.604 4.340 0.012 0.000 0.220 202 R C 1.964 178.265 176.300 0.002 0.000 1.091 202 R CA 0.871 56.975 56.100 0.008 0.000 0.986 202 R CB 0.022 30.331 30.300 0.015 0.000 0.888 202 R HN 0.317 nan 8.270 nan 0.000 0.444 203 R N -0.941 119.557 120.500 -0.004 0.000 2.350 203 R HA 0.324 4.671 4.340 0.012 0.000 0.199 203 R C 2.297 178.572 176.300 -0.042 0.000 0.876 203 R CA 0.003 56.097 56.100 -0.009 0.000 1.062 203 R CB 0.247 30.552 30.300 0.009 0.000 1.263 203 R HN 0.018 nan 8.270 nan 0.000 0.641 204 I N 1.107 121.643 120.570 -0.058 0.000 2.163 204 I HA -0.249 3.928 4.170 0.012 0.000 0.240 204 I C 2.292 178.277 176.117 -0.219 0.000 1.081 204 I CA 1.048 62.264 61.300 -0.139 0.000 1.353 204 I CB -0.190 37.750 38.000 -0.101 0.000 1.054 204 I HN 0.071 nan 8.210 nan 0.000 0.407 205 L N 1.836 122.977 121.223 -0.136 0.000 2.012 205 L HA -0.109 4.238 4.340 0.012 0.000 0.210 205 L C -0.561 176.245 176.870 -0.108 0.000 1.073 205 L CA 2.366 57.133 54.840 -0.122 0.000 0.748 205 L CB -1.563 40.462 42.059 -0.058 0.000 0.891 205 L HN 0.056 nan 8.230 nan 0.000 0.431 206 P HA -0.199 nan 4.420 nan 0.000 0.218 206 P C 1.387 178.652 177.300 -0.059 0.000 1.148 206 P CA 1.228 64.301 63.100 -0.045 0.000 0.822 206 P CB 0.027 31.714 31.700 -0.021 0.000 0.784 207 Q N -0.451 119.291 119.800 -0.097 0.000 2.123 207 Q HA -0.071 4.277 4.340 0.012 0.000 0.199 207 Q C 1.936 177.860 176.000 -0.127 0.000 0.966 207 Q CA 1.292 57.043 55.803 -0.086 0.000 0.845 207 Q CB -1.022 27.669 28.738 -0.079 0.000 0.907 207 Q HN 0.191 nan 8.270 nan 0.000 0.439 208 I N -0.160 120.234 120.570 -0.293 0.000 2.179 208 I HA -0.257 3.920 4.170 0.012 0.000 0.242 208 I C 1.627 177.713 176.117 -0.051 0.000 1.088 208 I CA 0.725 61.885 61.300 -0.235 0.000 1.357 208 I CB -0.341 37.483 38.000 -0.293 0.000 1.051 208 I HN 0.229 nan 8.210 nan 0.000 0.409 209 I N 0.854 121.389 120.570 -0.058 0.000 2.315 209 I HA -0.217 3.960 4.170 0.012 0.000 0.248 209 I C 2.385 178.497 176.117 -0.008 0.000 1.117 209 I CA 1.553 62.836 61.300 -0.028 0.000 1.404 209 I CB -1.223 36.757 38.000 -0.033 0.000 1.071 209 I HN 0.246 nan 8.210 nan 0.000 0.419 210 K N 0.767 121.165 120.400 -0.003 0.000 2.103 210 K HA -0.202 4.126 4.320 0.012 0.000 0.207 210 K C 1.687 178.305 176.600 0.030 0.000 1.048 210 K CA 1.684 57.979 56.287 0.013 0.000 0.930 210 K CB -0.082 32.428 32.500 0.017 0.000 0.716 210 K HN 0.263 nan 8.250 nan 0.000 0.444 211 D N 0.365 120.798 120.400 0.053 0.000 2.097 211 D HA -0.100 4.548 4.640 0.012 0.000 0.197 211 D C 1.806 178.136 176.300 0.049 0.000 0.984 211 D CA 1.327 55.372 54.000 0.075 0.000 0.826 211 D CB -0.220 40.672 40.800 0.153 0.000 0.973 211 D HN 0.185 nan 8.370 nan 0.000 0.460 212 A N 0.453 123.298 122.820 0.040 0.000 1.908 212 A HA -0.155 4.173 4.320 0.012 0.000 0.218 212 A C 2.273 179.862 177.584 0.008 0.000 1.181 212 A CA 1.068 53.118 52.037 0.021 0.000 0.627 212 A CB -0.776 18.229 19.000 0.008 0.000 0.818 212 A HN 0.225 nan 8.150 nan 0.000 0.445 213 I N -0.882 119.691 120.570 0.006 0.000 2.315 213 I HA -0.267 3.911 4.170 0.012 0.000 0.248 213 I C 2.751 178.871 176.117 0.005 0.000 1.117 213 I CA 1.272 62.573 61.300 0.001 0.000 1.404 213 I CB -0.356 37.644 38.000 -0.000 0.000 1.071 213 I HN 0.415 nan 8.210 nan 0.000 0.419 214 Q N 0.777 120.583 119.800 0.011 0.000 2.079 214 Q HA -0.167 4.181 4.340 0.012 0.000 0.200 214 Q C 1.883 177.888 176.000 0.009 0.000 0.974 214 Q CA 1.207 57.017 55.803 0.012 0.000 0.840 214 Q CB -0.005 28.744 28.738 0.018 0.000 0.898 214 Q HN 0.414 nan 8.270 nan 0.000 0.430 215 K N 0.247 120.653 120.400 0.011 0.000 2.525 215 K HA 0.024 4.352 4.320 0.012 0.000 0.192 215 K C -0.273 176.327 176.600 -0.000 0.000 1.029 215 K CA 0.058 56.348 56.287 0.006 0.000 1.029 215 K CB 0.356 32.861 32.500 0.010 0.000 0.814 215 K HN 0.058 nan 8.250 nan 0.000 0.503 216 R N 0.135 120.634 120.500 -0.001 0.000 3.422 216 R HA -0.177 4.170 4.340 0.012 0.000 0.267 216 R C -0.844 175.448 176.300 -0.013 0.000 1.074 216 R CA 0.673 56.768 56.100 -0.007 0.000 0.718 216 R CB -2.942 27.353 30.300 -0.008 0.000 1.157 216 R HN 0.227 nan 8.270 nan 0.000 0.440 217 L N 0.337 121.553 121.223 -0.012 0.000 2.307 217 L HA 0.456 4.803 4.340 0.012 0.000 0.282 217 L C 1.147 178.005 176.870 -0.020 0.000 1.051 217 L CA -0.709 54.119 54.840 -0.019 0.000 0.804 217 L CB 1.362 43.411 42.059 -0.016 0.000 1.197 217 L HN -0.010 nan 8.230 nan 0.000 0.431 218 R N 1.550 122.032 120.500 -0.029 0.000 2.296 218 R HA 0.275 4.623 4.340 0.012 0.000 0.323 218 R C -0.866 175.478 176.300 0.073 0.000 1.067 218 R CA -0.058 56.037 56.100 -0.009 0.000 0.946 218 R CB 0.475 30.718 30.300 -0.096 0.000 0.991 218 R HN 0.638 nan 8.270 nan 0.000 0.448 219 T N 2.816 117.418 114.554 0.080 0.000 2.859 219 T HA 0.528 4.885 4.350 0.012 0.000 0.281 219 T C -0.690 173.947 174.700 -0.104 0.000 1.005 219 T CA -0.619 61.471 62.100 -0.017 0.000 1.025 219 T CB 1.797 70.637 68.868 -0.047 0.000 0.977 219 T HN 0.639 nan 8.240 nan 0.000 0.458 220 A N 2.558 125.132 122.820 -0.410 0.000 2.316 220 A HA 0.647 4.974 4.320 0.012 0.000 0.324 220 A C -0.218 177.244 177.584 -0.203 0.000 1.375 220 A CA -0.686 51.006 52.037 -0.575 0.000 0.882 220 A CB 0.488 18.833 19.000 -1.091 0.000 1.152 220 A HN 0.716 nan 8.150 nan 0.000 0.512 221 V N 5.025 124.864 119.914 -0.125 0.000 2.407 221 V HA 0.650 4.778 4.120 0.012 0.000 0.278 221 V C -0.789 175.308 176.094 0.004 0.000 1.037 221 V CA -0.495 61.785 62.300 -0.032 0.000 0.900 221 V CB 0.967 32.773 31.823 -0.028 0.000 0.983 221 V HN 0.679 nan 8.190 nan 0.000 0.459 222 L N 7.442 128.698 121.223 0.055 0.000 2.319 222 L HA 0.799 5.146 4.340 0.012 0.000 0.281 222 L C 0.240 177.234 176.870 0.206 0.000 1.005 222 L CA -0.355 54.554 54.840 0.115 0.000 0.828 222 L CB 1.650 43.734 42.059 0.042 0.000 1.227 222 L HN 0.743 nan 8.230 nan 0.000 0.415 223 A N 5.118 128.037 122.820 0.166 0.000 2.306 223 A HA 0.715 5.043 4.320 0.012 0.000 0.314 223 A C -1.824 175.677 177.584 -0.139 0.000 1.164 223 A CA -1.462 50.598 52.037 0.039 0.000 0.822 223 A CB 0.710 19.709 19.000 -0.002 0.000 1.130 223 A HN 0.558 nan 8.150 nan 0.000 0.496 224 P HA -0.019 nan 4.420 nan 0.000 0.219 224 P C 0.570 177.596 177.300 -0.458 0.000 1.150 224 P CA 1.670 64.256 63.100 -0.857 0.000 0.814 224 P CB 0.021 31.126 31.700 -0.991 0.000 0.787 225 T N -4.905 109.443 114.554 -0.343 0.000 2.838 225 T HA 0.440 4.797 4.350 0.012 0.000 0.292 225 T C 1.010 175.632 174.700 -0.129 0.000 1.113 225 T CA -0.902 61.050 62.100 -0.247 0.000 1.008 225 T CB 1.928 70.574 68.868 -0.371 0.000 1.259 225 T HN -0.222 nan 8.240 nan 0.000 0.520 226 R N -0.227 120.227 120.500 -0.077 0.000 2.096 226 R HA -0.028 4.319 4.340 0.012 0.000 0.235 226 R C 2.238 178.529 176.300 -0.015 0.000 1.127 226 R CA 1.259 57.343 56.100 -0.028 0.000 0.968 226 R CB -0.818 29.477 30.300 -0.009 0.000 0.861 226 R HN 0.494 nan 8.270 nan 0.000 0.440 227 V N 0.483 120.395 119.914 -0.003 0.000 2.295 227 V HA -0.230 3.898 4.120 0.012 0.000 0.246 227 V C 2.324 178.415 176.094 -0.005 0.000 1.049 227 V CA 1.729 64.044 62.300 0.026 0.000 1.024 227 V CB -0.319 31.555 31.823 0.084 0.000 0.648 227 V HN 0.132 nan 8.190 nan 0.000 0.447 228 V N 0.364 120.246 119.914 -0.053 0.000 2.407 228 V HA -0.240 3.888 4.120 0.012 0.000 0.248 228 V C 2.685 178.771 176.094 -0.014 0.000 1.055 228 V CA 1.843 64.112 62.300 -0.052 0.000 1.049 228 V CB -1.234 30.523 31.823 -0.110 0.000 0.662 228 V HN 0.559 nan 8.190 nan 0.000 0.455 229 A N 0.086 122.902 122.820 -0.007 0.000 1.972 229 A HA -0.092 4.235 4.320 0.012 0.000 0.219 229 A C 2.385 179.985 177.584 0.026 0.000 1.169 229 A CA 2.025 54.084 52.037 0.037 0.000 0.635 229 A CB -0.610 18.416 19.000 0.044 0.000 0.810 229 A HN 0.576 nan 8.150 nan 0.000 0.446 230 A N -0.506 122.307 122.820 -0.011 0.000 1.968 230 A HA -0.064 4.263 4.320 0.012 0.000 0.217 230 A C 1.904 179.471 177.584 -0.028 0.000 1.169 230 A CA 1.262 53.272 52.037 -0.046 0.000 0.638 230 A CB -0.354 18.625 19.000 -0.034 0.000 0.812 230 A HN 0.586 nan 8.150 nan 0.000 0.446 231 E N -0.525 119.676 120.200 0.002 0.000 2.150 231 E HA -0.141 4.216 4.350 0.012 0.000 0.193 231 E C 1.930 178.545 176.600 0.025 0.000 0.985 231 E CA 1.149 57.556 56.400 0.012 0.000 0.814 231 E CB -0.245 29.465 29.700 0.017 0.000 0.752 231 E HN 0.666 nan 8.360 nan 0.000 0.466 232 M N 0.275 119.902 119.600 0.045 0.000 2.229 232 M HA -0.108 4.380 4.480 0.012 0.000 0.264 232 M C 2.392 178.783 176.300 0.151 0.000 1.063 232 M CA 1.146 56.502 55.300 0.094 0.000 1.114 232 M CB -0.103 32.570 32.600 0.121 0.000 1.387 232 M HN 0.079 nan 8.290 nan 0.000 0.420 233 A N -0.132 122.731 122.820 0.072 0.000 1.930 233 A HA -0.193 4.135 4.320 0.012 0.000 0.217 233 A C 1.987 179.561 177.584 -0.016 0.000 1.175 233 A CA 1.786 53.775 52.037 -0.081 0.000 0.627 233 A CB -0.614 18.111 19.000 -0.459 0.000 0.815 233 A HN 0.547 nan 8.150 nan 0.000 0.443 234 E N -0.301 119.892 120.200 -0.011 0.000 2.072 234 E HA -0.033 4.324 4.350 0.012 0.000 0.190 234 E C 2.056 178.672 176.600 0.027 0.000 0.982 234 E CA 0.806 57.207 56.400 0.002 0.000 0.803 234 E CB -0.182 29.516 29.700 -0.003 0.000 0.755 234 E HN 0.522 nan 8.360 nan 0.000 0.453 235 A N 0.546 123.388 122.820 0.038 0.000 2.066 235 A HA 0.011 4.338 4.320 0.012 0.000 0.218 235 A C 1.619 179.231 177.584 0.047 0.000 1.157 235 A CA 0.558 52.617 52.037 0.036 0.000 0.670 235 A CB -0.059 18.958 19.000 0.029 0.000 0.804 235 A HN 0.256 nan 8.150 nan 0.000 0.453 236 L N 0.255 121.526 121.223 0.081 0.000 2.984 236 L HA 0.228 4.575 4.340 0.012 0.000 0.246 236 L C 0.249 177.185 176.870 0.110 0.000 1.268 236 L CA -0.443 54.450 54.840 0.089 0.000 1.054 236 L CB 0.002 42.121 42.059 0.101 0.000 1.393 236 L HN 0.193 nan 8.230 nan 0.000 0.532 237 R N 0.497 121.047 120.500 0.084 0.000 2.543 237 R HA 0.352 4.699 4.340 0.012 0.000 0.277 237 R C 1.040 177.375 176.300 0.058 0.000 1.074 237 R CA 0.563 56.709 56.100 0.076 0.000 1.076 237 R CB 0.635 30.964 30.300 0.049 0.000 0.993 237 R HN 0.358 nan 8.270 nan 0.000 0.459 238 G N 2.095 110.930 108.800 0.058 0.000 2.198 238 G HA2 -0.254 3.714 3.960 0.012 0.000 0.257 238 G HA3 -0.254 3.714 3.960 0.012 0.000 0.257 238 G C -0.318 174.603 174.900 0.037 0.000 1.042 238 G CA -0.217 44.908 45.100 0.042 0.000 0.791 238 G HN 0.414 nan 8.290 nan 0.000 0.502 239 L N -0.121 121.127 121.223 0.042 0.000 2.445 239 L HA 0.504 4.852 4.340 0.012 0.000 0.262 239 L C -2.080 174.800 176.870 0.017 0.000 0.974 239 L CA -2.367 52.487 54.840 0.024 0.000 0.822 239 L CB 2.693 44.761 42.059 0.016 0.000 1.339 239 L HN -0.074 nan 8.230 nan 0.000 0.409 240 P HA 0.095 nan 4.420 nan 0.000 0.264 240 P C -0.932 176.341 177.300 -0.045 0.000 1.236 240 P CA 0.186 63.283 63.100 -0.005 0.000 0.811 240 P CB 1.138 32.837 31.700 -0.002 0.000 0.840 241 V N 4.374 124.242 119.914 -0.077 0.000 2.891 241 V HA 0.498 4.626 4.120 0.012 0.000 0.304 241 V C -1.004 174.907 176.094 -0.305 0.000 1.171 241 V CA -0.958 61.210 62.300 -0.220 0.000 0.943 241 V CB 2.744 34.378 31.823 -0.316 0.000 1.037 241 V HN 0.448 nan 8.190 nan 0.000 0.427 242 R N 5.196 125.510 120.500 -0.311 0.000 2.295 242 R HA 0.538 4.886 4.340 0.012 0.000 0.324 242 R C -1.880 174.232 176.300 -0.313 0.000 0.968 242 R CA -0.222 55.747 56.100 -0.217 0.000 0.837 242 R CB 0.887 31.100 30.300 -0.145 0.000 1.133 242 R HN 0.664 nan 8.270 nan 0.000 0.450 243 Y N 5.788 126.105 120.300 0.029 0.000 2.594 243 Y HA 0.157 4.714 4.550 0.011 0.000 0.342 243 Y C 0.895 176.809 175.900 0.023 0.000 1.010 243 Y CA -0.561 57.553 58.100 0.024 0.000 1.270 243 Y CB 1.098 39.574 38.460 0.027 0.000 1.125 243 Y HN 0.603 nan 8.280 nan 0.000 0.513 244 L N 1.978 123.265 121.223 0.106 0.000 2.005 244 L HA -0.015 4.332 4.340 0.012 0.000 0.207 244 L C 0.942 177.859 176.870 0.077 0.000 1.072 244 L CA 1.686 56.567 54.840 0.068 0.000 0.744 244 L CB -0.340 41.742 42.059 0.039 0.000 0.895 244 L HN 0.434 nan 8.230 nan 0.000 0.433 245 T N 2.894 117.496 114.554 0.081 0.000 2.738 245 T HA 0.358 4.715 4.350 0.012 0.000 0.293 245 T C -1.975 172.759 174.700 0.057 0.000 0.913 245 T CA -0.989 61.145 62.100 0.056 0.000 1.103 245 T CB 0.331 69.226 68.868 0.044 0.000 0.880 245 T HN 0.285 nan 8.240 nan 0.000 0.526 251 E N 1.893 122.115 120.200 0.037 0.000 2.396 251 E HA 0.363 4.721 4.350 0.012 0.000 0.251 251 E C -0.486 176.134 176.600 0.034 0.000 0.949 251 E CA -1.164 55.268 56.400 0.053 0.000 0.834 251 E CB 0.986 30.672 29.700 -0.022 0.000 1.309 251 E HN 0.644 nan 8.360 nan 0.000 0.405 252 H N -0.524 118.574 119.070 0.046 0.000 2.615 252 H HA 0.137 4.700 4.556 0.012 0.000 0.363 252 H C 0.492 175.834 175.328 0.023 0.000 1.148 252 H CA -0.024 56.044 56.048 0.034 0.000 1.401 252 H CB 1.531 31.308 29.762 0.025 0.000 1.461 252 H HN 0.400 nan 8.280 nan 0.000 0.588 253 S N 0.969 116.730 115.700 0.101 0.000 2.406 253 S HA 0.116 4.594 4.470 0.012 0.000 0.224 253 S C 1.545 176.196 174.600 0.085 0.000 1.030 253 S CA 0.996 59.222 58.200 0.044 0.000 0.958 253 S CB -0.632 62.594 63.200 0.044 0.000 0.811 253 S HN 1.118 nan 8.310 nan 0.000 0.489 254 G N 0.425 109.330 108.800 0.176 0.000 2.183 254 G HA2 -0.147 3.820 3.960 0.012 0.000 0.168 254 G HA3 -0.147 3.820 3.960 0.012 0.000 0.168 254 G C 0.531 175.475 174.900 0.073 0.000 1.008 254 G CA 0.290 45.487 45.100 0.161 0.000 0.677 254 G HN 0.502 nan 8.290 nan 0.000 0.498 255 N N 0.232 118.966 118.700 0.057 0.000 2.510 255 N HA 0.021 4.768 4.740 0.012 0.000 0.186 255 N C 0.586 176.102 175.510 0.010 0.000 1.051 255 N CA 0.275 53.340 53.050 0.025 0.000 0.877 255 N CB 0.345 38.846 38.487 0.022 0.000 1.183 255 N HN 0.642 nan 8.380 nan 0.000 0.443 256 E N 2.638 122.846 120.200 0.014 0.000 2.502 256 E HA -0.091 4.266 4.350 0.012 0.000 0.261 256 E C 0.726 177.309 176.600 -0.027 0.000 0.974 256 E CA 0.446 56.840 56.400 -0.010 0.000 0.936 256 E CB 0.518 30.208 29.700 -0.017 0.000 0.926 256 E HN 0.438 nan 8.360 nan 0.000 0.459 257 I N -0.952 119.602 120.570 -0.027 0.000 4.082 257 I HA 0.199 4.377 4.170 0.012 0.000 0.337 257 I C -0.281 175.832 176.117 -0.007 0.000 1.352 257 I CA -0.620 60.665 61.300 -0.024 0.000 1.097 257 I CB 0.653 38.637 38.000 -0.026 0.000 1.048 257 I HN 0.036 nan 8.210 nan 0.000 0.393 258 V N 2.891 122.786 119.914 -0.032 0.000 2.370 258 V HA 0.421 4.548 4.120 0.012 0.000 0.283 258 V C -1.019 175.022 176.094 -0.089 0.000 1.023 258 V CA -0.303 61.968 62.300 -0.049 0.000 0.857 258 V CB 1.349 33.127 31.823 -0.075 0.000 0.985 258 V HN 0.168 nan 8.190 nan 0.000 0.443 259 D N 3.703 124.067 120.400 -0.060 0.000 2.502 259 D HA 0.485 5.132 4.640 0.012 0.000 0.249 259 D C -0.596 175.633 176.300 -0.119 0.000 1.092 259 D CA -0.231 53.719 54.000 -0.085 0.000 0.839 259 D CB 2.446 43.265 40.800 0.030 0.000 1.264 259 D HN 0.247 nan 8.370 nan 0.000 0.511 260 V N 3.797 123.625 119.914 -0.142 0.000 2.394 260 V HA 0.602 4.730 4.120 0.012 0.000 0.282 260 V C 0.450 176.560 176.094 0.026 0.000 1.031 260 V CA -0.422 61.845 62.300 -0.054 0.000 0.881 260 V CB 0.930 32.741 31.823 -0.020 0.000 0.982 260 V HN 0.548 nan 8.190 nan 0.000 0.451 261 M N 3.398 123.018 119.600 0.034 0.000 2.813 261 M HA 0.638 5.125 4.480 0.012 0.000 0.270 261 M C -1.099 175.244 176.300 0.072 0.000 1.267 261 M CA -0.520 54.811 55.300 0.052 0.000 0.822 261 M CB 1.770 34.390 32.600 0.034 0.000 1.671 261 M HN 0.424 nan 8.290 nan 0.000 0.468 262 C N 1.081 120.426 119.300 0.074 0.000 2.580 262 C HA 0.253 4.720 4.460 0.012 0.000 0.371 262 C C 1.958 177.054 174.990 0.176 0.000 1.308 262 C CA -0.031 59.045 59.018 0.096 0.000 2.428 262 C CB -0.303 27.471 27.740 0.056 0.000 2.529 262 C HN 0.932 nan 8.230 nan 0.000 0.657 263 H N 0.483 119.565 119.070 0.021 0.000 2.319 263 H HA -0.181 4.382 4.556 0.012 0.000 0.299 263 H C 2.111 177.437 175.328 -0.003 0.000 1.092 263 H CA 1.552 57.603 56.048 0.006 0.000 1.302 263 H CB 0.049 29.829 29.762 0.030 0.000 1.373 263 H HN 0.785 nan 8.280 nan 0.000 0.497 264 A N 0.489 123.409 122.820 0.167 0.000 1.929 264 A HA -0.126 4.201 4.320 0.012 0.000 0.216 264 A C 2.455 180.190 177.584 0.252 0.000 1.176 264 A CA 1.593 53.726 52.037 0.160 0.000 0.628 264 A CB -0.694 18.422 19.000 0.193 0.000 0.816 264 A HN 0.324 nan 8.150 nan 0.000 0.444 265 T N 0.334 114.985 114.554 0.162 0.000 2.665 265 T HA -0.192 4.166 4.350 0.012 0.000 0.268 265 T C 1.828 176.593 174.700 0.108 0.000 1.035 265 T CA 1.729 63.903 62.100 0.123 0.000 1.151 265 T CB -0.390 68.519 68.868 0.068 0.000 0.862 265 T HN 0.331 nan 8.240 nan 0.000 0.438 266 L N 0.968 122.231 121.223 0.068 0.000 2.056 266 L HA -0.055 4.293 4.340 0.012 0.000 0.207 266 L C 2.503 179.362 176.870 -0.017 0.000 1.078 266 L CA 1.749 56.608 54.840 0.031 0.000 0.749 266 L CB -1.084 40.985 42.059 0.016 0.000 0.901 266 L HN 0.211 nan 8.230 nan 0.000 0.433 267 T N -1.693 112.835 114.554 -0.044 0.000 2.746 267 T HA -0.220 4.137 4.350 0.012 0.000 0.267 267 T C 1.697 176.306 174.700 -0.152 0.000 1.039 267 T CA 1.977 63.994 62.100 -0.139 0.000 1.142 267 T CB -0.572 68.176 68.868 -0.200 0.000 0.866 267 T HN 0.503 nan 8.240 nan 0.000 0.444 268 H N 0.284 119.329 119.070 -0.041 0.000 2.389 268 H HA 0.133 4.697 4.556 0.012 0.000 0.299 268 H C 2.542 177.856 175.328 -0.024 0.000 1.081 268 H CA 1.243 57.270 56.048 -0.036 0.000 1.345 268 H CB 0.016 29.754 29.762 -0.040 0.000 1.393 268 H HN 0.162 nan 8.280 nan 0.000 0.520 269 R N 0.499 121.055 120.500 0.094 0.000 2.090 269 R HA -0.042 4.305 4.340 0.012 0.000 0.228 269 R C 1.831 178.141 176.300 0.017 0.000 1.110 269 R CA 0.727 56.860 56.100 0.055 0.000 0.973 269 R CB -0.178 30.159 30.300 0.060 0.000 0.869 269 R HN 0.269 nan 8.270 nan 0.000 0.440 270 L N 0.113 121.314 121.223 -0.037 0.000 2.191 270 L HA -0.165 4.182 4.340 0.012 0.000 0.212 270 L C 2.361 179.211 176.870 -0.034 0.000 1.103 270 L CA 1.282 56.060 54.840 -0.103 0.000 0.769 270 L CB -0.099 41.795 42.059 -0.275 0.000 0.908 270 L HN 0.332 nan 8.230 nan 0.000 0.438 271 M N -1.202 118.395 119.600 -0.004 0.000 2.287 271 M HA -0.022 4.466 4.480 0.012 0.000 0.266 271 M C 1.269 177.620 176.300 0.084 0.000 1.079 271 M CA 0.340 55.672 55.300 0.053 0.000 1.146 271 M CB 0.041 32.666 32.600 0.042 0.000 1.374 271 M HN 0.243 nan 8.290 nan 0.000 0.435 272 S N 0.830 116.565 115.700 0.059 0.000 2.566 272 S HA 0.062 4.539 4.470 0.012 0.000 0.280 272 S C -1.652 172.972 174.600 0.040 0.000 1.343 272 S CA -1.222 57.008 58.200 0.050 0.000 1.036 272 S CB -0.204 63.019 63.200 0.039 0.000 0.866 272 S HN 0.088 nan 8.310 nan 0.000 0.526 273 P HA -0.136 nan 4.420 nan 0.000 0.218 273 P C 0.668 177.966 177.300 -0.004 0.000 1.154 273 P CA 1.057 64.158 63.100 0.001 0.000 0.872 273 P CB -0.163 31.536 31.700 -0.001 0.000 0.790 274 L N -0.846 120.381 121.223 0.006 0.000 2.476 274 L HA 0.086 4.434 4.340 0.012 0.000 0.264 274 L C 1.543 178.419 176.870 0.010 0.000 1.224 274 L CA -0.520 54.324 54.840 0.006 0.000 0.821 274 L CB -0.038 42.027 42.059 0.009 0.000 1.101 274 L HN -0.096 nan 8.230 nan 0.000 0.488 275 R N 0.234 120.738 120.500 0.007 0.000 2.694 275 R HA 0.296 4.644 4.340 0.012 0.000 0.268 275 R C -1.199 175.112 176.300 0.018 0.000 1.061 275 R CA -0.465 55.642 56.100 0.012 0.000 1.133 275 R CB 0.750 31.051 30.300 0.002 0.000 1.020 275 R HN 0.378 nan 8.270 nan 0.000 0.475 276 V N 5.525 125.458 119.914 0.032 0.000 2.427 276 V HA 0.305 4.433 4.120 0.012 0.000 0.286 276 V C -1.990 174.112 176.094 0.013 0.000 1.034 276 V CA -1.949 60.381 62.300 0.051 0.000 0.893 276 V CB 1.271 33.139 31.823 0.076 0.000 0.982 276 V HN 0.840 nan 8.190 nan 0.000 0.452 277 P HA 0.084 nan 4.420 nan 0.000 0.268 277 P C -0.196 176.905 177.300 -0.332 0.000 1.205 277 P CA -0.214 62.702 63.100 -0.306 0.000 0.771 277 P CB 0.305 31.628 31.700 -0.628 0.000 0.858 278 N N 2.779 121.332 118.700 -0.245 0.000 2.549 278 N HA 0.009 4.756 4.740 0.012 0.000 0.267 278 N C -0.961 174.419 175.510 -0.216 0.000 1.182 278 N CA -0.014 52.967 53.050 -0.117 0.000 1.019 278 N CB -0.457 37.998 38.487 -0.054 0.000 1.380 278 N HN 0.262 nan 8.380 nan 0.000 0.505 279 Y N 2.162 122.422 120.300 -0.068 0.000 2.436 279 Y HA 0.132 4.690 4.550 0.013 0.000 0.336 279 Y C 1.669 177.383 175.900 -0.310 0.000 1.049 279 Y CA -0.385 57.537 58.100 -0.297 0.000 1.294 279 Y CB 0.566 38.630 38.460 -0.660 0.000 1.179 279 Y HN 0.392 nan 8.280 nan 0.000 0.520 280 N N 1.895 120.540 118.700 -0.090 0.000 2.416 280 N HA -0.018 4.729 4.740 0.012 0.000 0.177 280 N C -0.516 174.938 175.510 -0.093 0.000 1.036 280 N CA 0.598 53.610 53.050 -0.062 0.000 0.901 280 N CB 0.261 38.725 38.487 -0.038 0.000 0.976 280 N HN 0.415 nan 8.380 nan 0.000 0.444 281 L N 0.223 121.330 121.223 -0.194 0.000 2.410 281 L HA 0.487 4.834 4.340 0.012 0.000 0.270 281 L C -1.665 174.985 176.870 -0.367 0.000 0.983 281 L CA -0.664 54.078 54.840 -0.164 0.000 0.822 281 L CB 1.243 43.260 42.059 -0.070 0.000 1.285 281 L HN -0.225 nan 8.230 nan 0.000 0.409 282 F N 4.546 124.491 119.950 -0.009 0.000 2.467 282 F HA 0.699 5.233 4.527 0.012 0.000 0.336 282 F C -0.237 175.553 175.800 -0.016 0.000 1.123 282 F CA -0.721 57.264 58.000 -0.025 0.000 0.964 282 F CB 2.104 41.101 39.000 -0.006 0.000 1.136 282 F HN 0.126 nan 8.300 nan 0.000 0.447 283 V N 4.935 124.945 119.914 0.160 0.000 2.487 283 V HA 0.508 4.636 4.120 0.012 0.000 0.298 283 V C -0.455 175.727 176.094 0.146 0.000 1.028 283 V CA -0.800 61.576 62.300 0.126 0.000 0.860 283 V CB 1.888 33.741 31.823 0.050 0.000 0.991 283 V HN 0.819 nan 8.190 nan 0.000 0.427 284 M N 3.923 123.635 119.600 0.187 0.000 2.151 284 M HA 0.528 5.015 4.480 0.012 0.000 0.290 284 M C -1.538 174.835 176.300 0.122 0.000 0.965 284 M CA -0.423 54.945 55.300 0.112 0.000 0.930 284 M CB 1.562 34.142 32.600 -0.032 0.000 1.560 284 M HN 0.694 nan 8.290 nan 0.000 0.438 285 D N 3.890 124.371 120.400 0.135 0.000 2.255 285 D HA 0.174 4.822 4.640 0.012 0.000 0.249 285 D C -0.384 175.984 176.300 0.115 0.000 1.078 285 D CA 1.034 55.093 54.000 0.099 0.000 0.896 285 D CB 0.903 41.733 40.800 0.050 0.000 1.194 285 D HN 0.702 nan 8.370 nan 0.000 0.429 286 E N 1.390 121.633 120.200 0.072 0.000 2.257 286 E HA -0.198 4.159 4.350 0.012 0.000 0.217 286 E C 0.099 176.743 176.600 0.072 0.000 1.248 286 E CA 0.700 57.135 56.400 0.059 0.000 0.691 286 E CB -1.903 27.698 29.700 -0.165 0.000 1.185 286 E HN 0.504 nan 8.360 nan 0.000 0.377 287 A N 0.916 123.787 122.820 0.084 0.000 2.239 287 A HA -0.134 4.194 4.320 0.012 0.000 0.209 287 A C 1.610 179.152 177.584 -0.071 0.000 1.171 287 A CA 1.261 53.237 52.037 -0.103 0.000 0.768 287 A CB -0.593 18.262 19.000 -0.241 0.000 0.790 287 A HN 0.583 nan 8.150 nan 0.000 0.478 288 H N -3.209 115.847 119.070 -0.023 0.000 2.551 288 H HA 0.130 4.693 4.556 0.013 0.000 0.271 288 H C 0.083 175.436 175.328 0.040 0.000 0.984 288 H CA -0.650 55.394 56.048 -0.007 0.000 1.164 288 H CB -0.544 29.213 29.762 -0.008 0.000 1.437 288 H HN 0.245 nan 8.280 nan 0.000 0.550 289 F N 4.745 124.347 119.950 -0.581 0.000 2.590 289 F HA 0.018 4.554 4.527 0.014 0.000 0.389 289 F C 0.870 176.451 175.800 -0.365 0.000 1.049 289 F CA 0.321 58.018 58.000 -0.505 0.000 1.199 289 F CB 0.736 39.503 39.000 -0.387 0.000 1.058 289 F HN 0.136 nan 8.300 nan 0.000 0.556 290 T N 1.066 115.356 114.554 -0.440 0.000 3.244 290 T HA 0.091 4.449 4.350 0.012 0.000 0.254 290 T C 0.141 174.234 174.700 -1.011 0.000 1.024 290 T CA -0.512 61.130 62.100 -0.764 0.000 0.920 290 T CB -0.698 67.634 68.868 -0.894 0.000 1.042 290 T HN 0.468 nan 8.240 nan 0.000 0.572 291 D N 2.471 122.126 120.400 -1.241 0.000 2.424 291 D HA 0.180 4.828 4.640 0.012 0.000 0.244 291 D C -1.354 174.569 176.300 -0.629 0.000 1.134 291 D CA -1.844 51.528 54.000 -1.047 0.000 0.881 291 D CB 1.300 41.203 40.800 -1.496 0.000 1.191 291 D HN -0.042 nan 8.370 nan 0.000 0.445 292 P HA -0.190 nan 4.420 nan 0.000 0.216 292 P C 0.606 177.764 177.300 -0.235 0.000 1.150 292 P CA 1.451 64.392 63.100 -0.264 0.000 0.843 292 P CB 0.114 31.704 31.700 -0.183 0.000 0.787 293 A N -1.333 121.339 122.820 -0.246 0.000 2.119 293 A HA -0.056 4.272 4.320 0.012 0.000 0.217 293 A C 2.197 179.678 177.584 -0.172 0.000 1.153 293 A CA 1.499 53.418 52.037 -0.197 0.000 0.692 293 A CB -1.052 17.851 19.000 -0.161 0.000 0.799 293 A HN 0.124 nan 8.150 nan 0.000 0.458 294 S N -0.065 115.498 115.700 -0.228 0.000 2.371 294 S HA 0.004 4.482 4.470 0.012 0.000 0.221 294 S C 1.769 176.228 174.600 -0.235 0.000 1.036 294 S CA 1.098 59.190 58.200 -0.181 0.000 0.965 294 S CB -0.406 62.720 63.200 -0.124 0.000 0.845 294 S HN 0.564 nan 8.310 nan 0.000 0.475 295 I N 2.273 122.705 120.570 -0.231 0.000 2.163 295 I HA -0.218 3.960 4.170 0.012 0.000 0.243 295 I C 2.736 178.803 176.117 -0.085 0.000 1.085 295 I CA 1.263 62.482 61.300 -0.135 0.000 1.347 295 I CB -0.550 37.397 38.000 -0.087 0.000 1.044 295 I HN 0.253 nan 8.210 nan 0.000 0.408 296 A N 0.785 123.547 122.820 -0.096 0.000 1.933 296 A HA -0.131 4.197 4.320 0.012 0.000 0.218 296 A C 2.556 180.104 177.584 -0.059 0.000 1.175 296 A CA 1.833 53.832 52.037 -0.063 0.000 0.628 296 A CB -0.839 18.110 19.000 -0.085 0.000 0.814 296 A HN 0.442 nan 8.150 nan 0.000 0.444 297 A N -0.162 122.589 122.820 -0.116 0.000 1.902 297 A HA -0.159 4.168 4.320 0.012 0.000 0.217 297 A C 2.230 179.737 177.584 -0.130 0.000 1.181 297 A CA 1.460 53.424 52.037 -0.122 0.000 0.623 297 A CB -0.448 18.433 19.000 -0.197 0.000 0.818 297 A HN 0.546 nan 8.150 nan 0.000 0.443 298 R N -0.850 119.532 120.500 -0.197 0.000 2.148 298 R HA -0.068 4.279 4.340 0.012 0.000 0.227 298 R C 2.318 178.611 176.300 -0.011 0.000 1.103 298 R CA 0.869 56.847 56.100 -0.203 0.000 0.983 298 R CB -0.457 29.596 30.300 -0.410 0.000 0.874 298 R HN 0.540 nan 8.270 nan 0.000 0.451 299 G N 0.401 109.214 108.800 0.023 0.000 2.414 299 G HA2 -0.328 3.640 3.960 0.012 0.000 0.215 299 G HA3 -0.328 3.640 3.960 0.012 0.000 0.215 299 G C 1.240 176.175 174.900 0.058 0.000 1.188 299 G CA 0.547 45.693 45.100 0.075 0.000 0.783 299 G HN 0.338 nan 8.290 nan 0.000 0.537 300 Y N 1.391 121.644 120.300 -0.079 0.000 2.145 300 Y HA -0.106 4.452 4.550 0.012 0.000 0.286 300 Y C 2.581 178.381 175.900 -0.167 0.000 1.145 300 Y CA 1.536 59.575 58.100 -0.101 0.000 1.148 300 Y CB -0.294 38.098 38.460 -0.113 0.000 0.981 300 Y HN 0.184 nan 8.280 nan 0.000 0.507 301 I N 0.526 120.862 120.570 -0.390 0.000 2.127 301 I HA -0.370 3.807 4.170 0.012 0.000 0.241 301 I C 2.697 178.613 176.117 -0.335 0.000 1.075 301 I CA 1.503 62.419 61.300 -0.641 0.000 1.334 301 I CB -0.887 36.774 38.000 -0.564 0.000 1.040 301 I HN 0.362 nan 8.210 nan 0.000 0.405 302 A N 0.115 122.867 122.820 -0.113 0.000 2.076 302 A HA -0.201 4.126 4.320 0.012 0.000 0.220 302 A C 2.313 179.875 177.584 -0.037 0.000 1.160 302 A CA 2.418 54.462 52.037 0.012 0.000 0.653 302 A CB -0.953 18.194 19.000 0.245 0.000 0.801 302 A HN 0.473 nan 8.150 nan 0.000 0.455 303 T N -0.824 113.663 114.554 -0.111 0.000 2.894 303 T HA -0.024 4.333 4.350 0.012 0.000 0.258 303 T C 2.033 176.654 174.700 -0.132 0.000 1.043 303 T CA 0.827 62.867 62.100 -0.100 0.000 1.141 303 T CB -0.138 68.678 68.868 -0.088 0.000 0.873 303 T HN 0.359 nan 8.240 nan 0.000 0.449 304 R N 1.064 121.414 120.500 -0.251 0.000 2.115 304 R HA 0.075 4.422 4.340 0.012 0.000 0.230 304 R C 2.418 178.681 176.300 -0.061 0.000 1.111 304 R CA 0.598 56.595 56.100 -0.172 0.000 0.976 304 R CB -1.163 28.986 30.300 -0.252 0.000 0.870 304 R HN 0.322 nan 8.270 nan 0.000 0.445 305 V N 0.879 120.753 119.914 -0.067 0.000 2.453 305 V HA -0.165 3.962 4.120 0.012 0.000 0.247 305 V C 2.328 178.408 176.094 -0.022 0.000 1.048 305 V CA 1.601 63.886 62.300 -0.026 0.000 1.049 305 V CB -0.417 31.378 31.823 -0.047 0.000 0.672 305 V HN 0.330 nan 8.190 nan 0.000 0.457 306 E N 0.283 120.467 120.200 -0.027 0.000 2.150 306 E HA -0.141 4.217 4.350 0.012 0.000 0.193 306 E C 2.139 178.732 176.600 -0.012 0.000 0.985 306 E CA 1.044 57.435 56.400 -0.014 0.000 0.814 306 E CB -0.136 29.559 29.700 -0.009 0.000 0.752 306 E HN 0.582 nan 8.360 nan 0.000 0.466 307 A N -0.123 122.687 122.820 -0.017 0.000 2.167 307 A HA 0.147 4.475 4.320 0.012 0.000 0.214 307 A C 1.780 179.363 177.584 -0.002 0.000 1.151 307 A CA 1.081 53.113 52.037 -0.008 0.000 0.735 307 A CB -0.353 18.641 19.000 -0.009 0.000 0.802 307 A HN 0.447 nan 8.150 nan 0.000 0.467 308 G N -1.136 107.663 108.800 -0.002 0.000 2.141 308 G HA2 -0.212 3.755 3.960 0.012 0.000 0.242 308 G HA3 -0.212 3.755 3.960 0.012 0.000 0.242 308 G C 0.552 175.458 174.900 0.010 0.000 0.982 308 G CA 0.549 45.651 45.100 0.003 0.000 0.662 308 G HN 0.412 nan 8.290 nan 0.000 0.527 309 E N -0.351 119.859 120.200 0.017 0.000 2.340 309 E HA 0.486 4.844 4.350 0.012 0.000 0.194 309 E C 1.247 177.876 176.600 0.050 0.000 0.996 309 E CA 1.157 57.575 56.400 0.030 0.000 0.869 309 E CB 0.652 30.375 29.700 0.037 0.000 0.835 309 E HN 1.224 nan 8.360 nan 0.000 0.493 310 A N 0.193 123.053 122.820 0.066 0.000 2.594 310 A HA 0.764 5.091 4.320 0.012 0.000 0.291 310 A C -1.255 176.385 177.584 0.093 0.000 1.105 310 A CA -0.154 51.949 52.037 0.111 0.000 0.694 310 A CB 1.536 20.714 19.000 0.295 0.000 1.291 310 A HN 0.045 nan 8.150 nan 0.000 0.410 311 A N -0.275 122.600 122.820 0.092 0.000 2.330 311 A HA 0.970 5.297 4.320 0.012 0.000 0.329 311 A C -0.063 177.574 177.584 0.089 0.000 1.135 311 A CA -0.076 51.993 52.037 0.052 0.000 0.817 311 A CB 1.327 20.337 19.000 0.018 0.000 1.269 311 A HN 2.535 nan 8.150 nan 0.000 0.469 312 A N 0.669 123.468 122.820 -0.035 0.000 2.422 312 A HA 0.747 5.075 4.320 0.012 0.000 0.302 312 A C -1.114 176.326 177.584 -0.240 0.000 1.041 312 A CA -0.294 51.647 52.037 -0.160 0.000 0.708 312 A CB 0.880 19.616 19.000 -0.440 0.000 1.257 312 A HN 0.739 nan 8.150 nan 0.000 0.414 313 I N 2.388 122.850 120.570 -0.179 0.000 2.468 313 I HA 0.363 4.541 4.170 0.012 0.000 0.285 313 I C -1.475 174.661 176.117 0.031 0.000 1.039 313 I CA -0.259 60.982 61.300 -0.100 0.000 1.074 313 I CB 1.606 39.627 38.000 0.035 0.000 1.228 313 I HN 0.473 nan 8.210 nan 0.000 0.436 314 F N 6.323 126.262 119.950 -0.020 0.000 2.404 314 F HA 0.501 5.035 4.527 0.011 0.000 0.354 314 F C 0.243 176.037 175.800 -0.010 0.000 1.122 314 F CA -1.198 56.776 58.000 -0.044 0.000 1.080 314 F CB 1.301 40.238 39.000 -0.106 0.000 1.131 314 F HN 0.228 nan 8.300 nan 0.000 0.471 315 M N 3.751 123.467 119.600 0.194 0.000 2.047 315 M HA 0.425 4.913 4.480 0.012 0.000 0.342 315 M C -0.109 176.241 176.300 0.084 0.000 1.058 315 M CA -0.111 55.249 55.300 0.100 0.000 0.991 315 M CB 1.541 34.179 32.600 0.063 0.000 1.474 315 M HN 0.608 nan 8.290 nan 0.000 0.419 316 T N 0.770 115.361 114.554 0.060 0.000 2.957 316 T HA 0.560 4.918 4.350 0.012 0.000 0.336 316 T C 0.292 174.974 174.700 -0.030 0.000 1.462 316 T CA -0.119 62.007 62.100 0.044 0.000 1.073 316 T CB 1.530 70.468 68.868 0.117 0.000 1.319 316 T HN 0.649 nan 8.240 nan 0.000 0.485 317 A N 2.200 124.965 122.820 -0.092 0.000 1.970 317 A HA 0.253 4.581 4.320 0.012 0.000 0.216 317 A C 1.227 178.748 177.584 -0.105 0.000 1.170 317 A CA 1.522 53.495 52.037 -0.107 0.000 0.645 317 A CB -0.434 18.495 19.000 -0.117 0.000 0.816 317 A HN 1.161 nan 8.150 nan 0.000 0.447 318 T N -0.942 113.519 114.554 -0.156 0.000 3.060 318 T HA 0.568 4.926 4.350 0.012 0.000 0.367 318 T C -3.124 171.563 174.700 -0.022 0.000 1.229 318 T CA -2.246 59.785 62.100 -0.115 0.000 1.104 318 T CB 1.304 70.057 68.868 -0.192 0.000 1.083 318 T HN -0.043 nan 8.240 nan 0.000 0.524 319 P HA 0.277 nan 4.420 nan 0.000 0.272 319 P C -2.585 174.791 177.300 0.127 0.000 1.223 319 P CA -1.443 61.721 63.100 0.106 0.000 0.784 319 P CB -0.414 31.360 31.700 0.123 0.000 0.923 320 P HA 0.068 nan 4.420 nan 0.000 0.257 320 P C 0.850 178.236 177.300 0.144 0.000 1.189 320 P CA 1.430 64.647 63.100 0.196 0.000 0.780 320 P CB -0.352 31.532 31.700 0.307 0.000 0.772 321 G N 1.556 110.413 108.800 0.096 0.000 2.227 321 G HA2 -0.150 3.818 3.960 0.012 0.000 0.168 321 G HA3 -0.150 3.818 3.960 0.012 0.000 0.168 321 G C 0.206 175.127 174.900 0.034 0.000 1.006 321 G CA -0.407 44.724 45.100 0.050 0.000 0.684 321 G HN 0.499 nan 8.290 nan 0.000 0.489 322 T N 1.580 116.155 114.554 0.035 0.000 2.930 322 T HA 0.464 4.821 4.350 0.012 0.000 0.306 322 T C 1.255 175.951 174.700 -0.005 0.000 1.045 322 T CA 0.876 62.981 62.100 0.008 0.000 1.134 322 T CB 1.410 70.272 68.868 -0.010 0.000 0.961 322 T HN 1.029 nan 8.240 nan 0.000 0.545 323 S N -0.163 115.527 115.700 -0.017 0.000 2.937 323 S HA 0.220 4.698 4.470 0.012 0.000 0.252 323 S C -0.476 174.096 174.600 -0.047 0.000 1.022 323 S CA -0.706 57.479 58.200 -0.026 0.000 1.079 323 S CB 0.132 63.325 63.200 -0.011 0.000 1.035 323 S HN 0.629 nan 8.310 nan 0.000 0.594 324 D N 2.454 122.817 120.400 -0.062 0.000 2.427 324 D HA 0.493 5.140 4.640 0.012 0.000 0.226 324 D C -1.994 174.197 176.300 -0.183 0.000 1.076 324 D CA -2.213 51.741 54.000 -0.076 0.000 0.849 324 D CB 1.938 42.721 40.800 -0.027 0.000 1.052 324 D HN -0.009 nan 8.370 nan 0.000 0.515 325 P HA 0.087 nan 4.420 nan 0.000 0.225 325 P C -0.353 176.431 177.300 -0.859 0.000 1.156 325 P CA 0.515 63.204 63.100 -0.686 0.000 0.787 325 P CB 0.074 31.156 31.700 -1.030 0.000 0.802 326 F N 1.191 121.063 119.950 -0.130 0.000 2.449 326 F HA 0.379 4.913 4.527 0.011 0.000 0.344 326 F C -2.223 173.517 175.800 -0.101 0.000 1.180 326 F CA -2.899 55.018 58.000 -0.139 0.000 1.209 326 F CB 0.322 39.249 39.000 -0.122 0.000 1.440 326 F HN -0.175 nan 8.300 nan 0.000 0.526 327 P HA 0.088 nan 4.420 nan 0.000 0.274 327 P C -0.431 176.881 177.300 0.021 0.000 1.231 327 P CA -0.375 62.730 63.100 0.008 0.000 0.790 327 P CB 0.984 32.667 31.700 -0.028 0.000 0.951 328 D N 1.098 121.512 120.400 0.023 0.000 2.581 328 D HA 0.043 4.691 4.640 0.012 0.000 0.238 328 D C 0.875 177.183 176.300 0.013 0.000 1.145 328 D CA 0.824 54.831 54.000 0.011 0.000 0.866 328 D CB -0.024 40.781 40.800 0.009 0.000 1.151 328 D HN 0.353 nan 8.370 nan 0.000 0.500 329 T N 0.156 114.708 114.554 -0.004 0.000 2.862 329 T HA 0.218 4.576 4.350 0.012 0.000 0.276 329 T C 1.203 175.895 174.700 -0.014 0.000 0.974 329 T CA -0.783 61.318 62.100 0.001 0.000 0.966 329 T CB 0.955 69.819 68.868 -0.006 0.000 1.072 329 T HN 0.033 nan 8.240 nan 0.000 0.538 330 N N 0.301 118.998 118.700 -0.004 0.000 2.106 330 N HA 0.063 4.810 4.740 0.012 0.000 0.188 330 N C 0.290 175.779 175.510 -0.034 0.000 1.029 330 N CA 0.911 53.943 53.050 -0.030 0.000 0.848 330 N CB -0.049 38.436 38.487 -0.004 0.000 1.007 330 N HN 0.564 nan 8.380 nan 0.000 0.423 331 S N 0.122 115.813 115.700 -0.016 0.000 2.568 331 S HA 0.530 5.007 4.470 0.012 0.000 0.302 331 S C -2.643 171.940 174.600 -0.028 0.000 1.082 331 S CA -1.269 56.919 58.200 -0.019 0.000 1.009 331 S CB 2.038 65.242 63.200 0.006 0.000 1.069 331 S HN -0.045 nan 8.310 nan 0.000 0.500 332 P HA 0.211 nan 4.420 nan 0.000 0.266 332 P C -1.217 176.053 177.300 -0.050 0.000 1.195 332 P CA -0.051 63.000 63.100 -0.080 0.000 0.768 332 P CB 0.402 32.038 31.700 -0.106 0.000 0.838 333 V N 3.219 123.081 119.914 -0.087 0.000 2.841 333 V HA 0.242 4.370 4.120 0.012 0.000 0.310 333 V C -0.626 175.401 176.094 -0.110 0.000 1.090 333 V CA -0.641 61.652 62.300 -0.012 0.000 0.930 333 V CB 1.948 33.793 31.823 0.037 0.000 1.014 333 V HN 0.525 nan 8.190 nan 0.000 0.425 334 H N 2.351 121.435 119.070 0.023 0.000 2.604 334 H HA 0.413 4.975 4.556 0.011 0.000 0.306 334 H C -0.769 174.573 175.328 0.023 0.000 1.075 334 H CA -0.367 55.676 56.048 -0.008 0.000 1.357 334 H CB 0.542 30.286 29.762 -0.030 0.000 1.426 334 H HN 0.491 nan 8.280 nan 0.000 0.470 335 D N 4.140 124.602 120.400 0.104 0.000 2.412 335 D HA 0.170 4.817 4.640 0.012 0.000 0.224 335 D C -0.436 175.926 176.300 0.103 0.000 1.093 335 D CA -0.303 53.829 54.000 0.219 0.000 0.850 335 D CB 1.632 42.531 40.800 0.166 0.000 1.046 335 D HN 0.191 nan 8.370 nan 0.000 0.507 336 V N 1.687 121.524 119.914 -0.128 0.000 2.384 336 V HA 0.180 4.308 4.120 0.012 0.000 0.287 336 V C 0.579 176.266 176.094 -0.677 0.000 1.020 336 V CA -0.776 61.279 62.300 -0.409 0.000 0.850 336 V CB 1.726 33.129 31.823 -0.700 0.000 0.987 336 V HN 0.431 nan 8.190 nan 0.000 0.436 337 S N 4.116 119.390 115.700 -0.710 0.000 2.422 337 S HA 0.533 5.011 4.470 0.012 0.000 0.283 337 S C 0.031 174.321 174.600 -0.516 0.000 1.163 337 S CA -0.108 57.534 58.200 -0.931 0.000 1.054 337 S CB 0.084 62.934 63.200 -0.584 0.000 0.967 337 S HN 0.823 nan 8.310 nan 0.000 0.499 338 S N 3.255 118.691 115.700 -0.440 0.000 2.588 338 S HA 0.341 4.819 4.470 0.012 0.000 0.275 338 S C -1.099 173.445 174.600 -0.092 0.000 1.130 338 S CA -0.871 57.172 58.200 -0.263 0.000 0.855 338 S CB 1.615 64.605 63.200 -0.350 0.000 1.116 338 S HN 0.838 nan 8.310 nan 0.000 0.472 339 E N 1.955 122.169 120.200 0.024 0.000 2.223 339 E HA 0.226 4.583 4.350 0.012 0.000 0.282 339 E C -0.943 175.827 176.600 0.283 0.000 1.046 339 E CA -0.274 56.213 56.400 0.146 0.000 0.857 339 E CB 0.292 30.089 29.700 0.161 0.000 1.055 339 E HN 0.306 nan 8.360 nan 0.000 0.409 340 I N 6.523 127.182 120.570 0.149 0.000 2.377 340 I HA 0.296 4.473 4.170 0.012 0.000 0.293 340 I C -2.095 174.031 176.117 0.015 0.000 0.987 340 I CA -3.025 58.303 61.300 0.046 0.000 1.185 340 I CB 0.681 38.695 38.000 0.024 0.000 1.341 340 I HN 0.424 nan 8.210 nan 0.000 0.455 341 P HA 0.120 nan 4.420 nan 0.000 0.267 341 P C 0.088 177.432 177.300 0.072 0.000 1.205 341 P CA 0.009 62.967 63.100 -0.236 0.000 0.765 341 P CB 0.599 31.895 31.700 -0.674 0.000 0.828 342 D N 2.195 122.627 120.400 0.053 0.000 2.360 342 D HA 0.065 4.713 4.640 0.012 0.000 0.210 342 D C 0.515 176.833 176.300 0.031 0.000 1.047 342 D CA 0.440 54.481 54.000 0.069 0.000 0.854 342 D CB 0.427 41.269 40.800 0.070 0.000 0.936 342 D HN 0.238 nan 8.370 nan 0.000 0.514 343 R N -0.923 119.599 120.500 0.038 0.000 2.781 343 R HA 0.686 5.034 4.340 0.012 0.000 0.268 343 R C -1.052 175.313 176.300 0.107 0.000 1.047 343 R CA -0.767 55.352 56.100 0.031 0.000 0.925 343 R CB 1.365 31.683 30.300 0.030 0.000 1.246 343 R HN 0.023 nan 8.270 nan 0.000 0.456 344 A N 0.556 123.401 122.820 0.041 0.000 2.492 344 A HA 0.269 4.597 4.320 0.012 0.000 0.236 344 A C -1.008 176.680 177.584 0.173 0.000 1.078 344 A CA 0.640 52.680 52.037 0.004 0.000 0.773 344 A CB -0.173 18.744 19.000 -0.138 0.000 1.023 344 A HN 0.639 nan 8.150 nan 0.000 0.504 345 W N -0.279 120.966 121.300 -0.091 0.000 3.138 345 W HA 0.571 5.238 4.660 0.012 0.000 0.331 345 W C 0.326 176.851 176.519 0.010 0.000 1.166 345 W CA -0.055 57.282 57.345 -0.014 0.000 1.212 345 W CB 0.845 30.311 29.460 0.009 0.000 1.399 345 W HN 0.657 nan 8.180 nan 0.000 0.514 346 S N 0.505 116.294 115.700 0.149 0.000 2.503 346 S HA 0.339 4.816 4.470 0.012 0.000 0.215 346 S C 0.523 175.199 174.600 0.127 0.000 1.003 346 S CA 0.585 58.809 58.200 0.041 0.000 0.910 346 S CB -0.407 62.816 63.200 0.040 0.000 0.790 346 S HN 0.919 nan 8.310 nan 0.000 0.514 347 S N -0.790 115.093 115.700 0.304 0.000 2.752 347 S HA 0.765 5.243 4.470 0.012 0.000 0.284 347 S C 0.390 175.238 174.600 0.414 0.000 1.189 347 S CA -0.277 58.095 58.200 0.288 0.000 0.835 347 S CB 0.766 64.060 63.200 0.157 0.000 1.192 347 S HN 1.672 nan 8.310 nan 0.000 0.506 348 G N 0.455 109.389 108.800 0.223 0.000 2.645 348 G HA2 0.057 4.024 3.960 0.012 0.000 0.246 348 G HA3 0.057 4.024 3.960 0.012 0.000 0.246 348 G C -0.111 174.888 174.900 0.165 0.000 1.322 348 G CA 0.025 45.164 45.100 0.064 0.000 0.898 348 G HN 1.965 nan 8.290 nan 0.000 0.573 349 F N -0.851 119.080 119.950 -0.032 0.000 2.866 349 F HA -0.169 4.365 4.527 0.012 0.000 0.254 349 F C 1.491 177.207 175.800 -0.139 0.000 1.009 349 F CA 1.484 59.341 58.000 -0.238 0.000 0.907 349 F CB -1.482 37.056 39.000 -0.770 0.000 0.859 349 F HN 0.612 nan 8.300 nan 0.000 0.842 350 E N 0.505 120.778 120.200 0.122 0.000 2.107 350 E HA -0.152 4.205 4.350 0.012 0.000 0.191 350 E C 2.012 178.691 176.600 0.131 0.000 0.982 350 E CA 1.593 58.078 56.400 0.143 0.000 0.809 350 E CB -0.324 29.464 29.700 0.147 0.000 0.756 350 E HN 0.770 nan 8.360 nan 0.000 0.459 351 W N 0.728 122.073 121.300 0.076 0.000 2.392 351 W HA -0.085 4.582 4.660 0.011 0.000 0.279 351 W C 1.326 177.892 176.519 0.079 0.000 1.225 351 W CA 0.608 57.986 57.345 0.055 0.000 1.233 351 W CB -0.889 28.555 29.460 -0.026 0.000 1.122 351 W HN 0.034 nan 8.180 nan 0.000 0.561 352 I N 2.102 122.246 120.570 -0.709 0.000 2.193 352 I HA -0.245 3.933 4.170 0.012 0.000 0.240 352 I C 2.791 178.967 176.117 0.098 0.000 1.084 352 I CA 2.519 63.479 61.300 -0.566 0.000 1.365 352 I CB -0.818 36.739 38.000 -0.738 0.000 1.064 352 I HN -0.045 nan 8.210 nan 0.000 0.410 353 T N -3.332 111.304 114.554 0.137 0.000 3.054 353 T HA -0.004 4.354 4.350 0.012 0.000 0.259 353 T C 1.293 176.127 174.700 0.223 0.000 1.092 353 T CA 0.538 62.776 62.100 0.229 0.000 1.121 353 T CB -0.202 68.769 68.868 0.172 0.000 0.912 353 T HN 0.097 nan 8.240 nan 0.000 0.489 354 D N 0.184 120.702 120.400 0.196 0.000 2.347 354 D HA 0.111 4.759 4.640 0.012 0.000 0.213 354 D C -0.029 176.382 176.300 0.184 0.000 0.985 354 D CA 0.028 54.130 54.000 0.169 0.000 0.879 354 D CB -0.343 40.547 40.800 0.149 0.000 0.919 354 D HN 0.499 nan 8.370 nan 0.000 0.526 355 Y N 0.904 121.270 120.300 0.110 0.000 2.544 355 Y HA 0.182 4.738 4.550 0.011 0.000 0.330 355 Y C 1.325 177.246 175.900 0.036 0.000 1.136 355 Y CA -0.403 57.741 58.100 0.073 0.000 1.417 355 Y CB 0.980 39.476 38.460 0.059 0.000 1.229 355 Y HN -0.092 nan 8.280 nan 0.000 0.532 356 A N 4.817 127.403 122.820 -0.391 0.000 1.898 356 A HA 0.142 4.470 4.320 0.012 0.000 0.214 356 A C 1.493 178.931 177.584 -0.244 0.000 1.183 356 A CA 1.024 52.905 52.037 -0.259 0.000 0.622 356 A CB -1.109 17.737 19.000 -0.257 0.000 0.824 356 A HN 0.882 nan 8.150 nan 0.000 0.444 357 G N -0.445 108.096 108.800 -0.432 0.000 2.588 357 G HA2 0.428 4.395 3.960 0.012 0.000 0.278 357 G HA3 0.428 4.395 3.960 0.012 0.000 0.278 357 G C -0.201 174.725 174.900 0.044 0.000 1.307 357 G CA -0.655 44.364 45.100 -0.135 0.000 1.016 357 G HN 0.416 nan 8.290 nan 0.000 0.503 358 K N -0.650 119.714 120.400 -0.060 0.000 2.154 358 K HA 0.489 4.817 4.320 0.012 0.000 0.264 358 K C -0.529 176.020 176.600 -0.084 0.000 1.008 358 K CA 0.156 56.318 56.287 -0.208 0.000 0.937 358 K CB 1.097 33.261 32.500 -0.560 0.000 1.002 358 K HN 0.371 nan 8.250 nan 0.000 0.469 359 T N 0.637 115.083 114.554 -0.180 0.000 2.916 359 T HA 0.269 4.627 4.350 0.012 0.000 0.298 359 T C -1.005 173.658 174.700 -0.063 0.000 1.031 359 T CA -0.747 61.204 62.100 -0.249 0.000 0.993 359 T CB 1.612 70.070 68.868 -0.682 0.000 1.045 359 T HN 0.158 nan 8.240 nan 0.000 0.454 360 V N 3.406 123.281 119.914 -0.065 0.000 2.313 360 V HA 0.377 4.505 4.120 0.012 0.000 0.278 360 V C -0.813 175.270 176.094 -0.019 0.000 1.017 360 V CA -0.915 61.265 62.300 -0.200 0.000 0.823 360 V CB 0.923 32.463 31.823 -0.471 0.000 1.010 360 V HN 0.786 nan 8.190 nan 0.000 0.443 361 W N 6.570 127.781 121.300 -0.148 0.000 2.349 361 W HA 0.584 5.251 4.660 0.012 0.000 0.309 361 W C -1.164 175.266 176.519 -0.148 0.000 1.083 361 W CA -1.857 55.478 57.345 -0.017 0.000 1.224 361 W CB 1.297 30.808 29.460 0.086 0.000 1.256 361 W HN 0.395 nan 8.180 nan 0.000 0.461 362 F N 5.371 125.616 119.950 0.493 0.000 2.408 362 F HA 0.354 4.888 4.527 0.011 0.000 0.344 362 F C 0.733 176.776 175.800 0.405 0.000 1.112 362 F CA -0.345 57.861 58.000 0.345 0.000 1.096 362 F CB 0.977 40.121 39.000 0.240 0.000 1.129 362 F HN 0.102 nan 8.300 nan 0.000 0.486 363 V N 0.389 120.523 119.914 0.367 0.000 3.113 363 V HA 0.814 4.942 4.120 0.012 0.000 0.316 363 V C 0.389 176.589 176.094 0.178 0.000 1.125 363 V CA -0.568 61.862 62.300 0.216 0.000 1.026 363 V CB 1.195 33.021 31.823 0.005 0.000 1.080 363 V HN 0.781 nan 8.190 nan 0.000 0.444 364 A N 1.077 123.970 122.820 0.121 0.000 1.970 364 A HA 0.421 4.748 4.320 0.012 0.000 0.216 364 A C 1.198 178.819 177.584 0.061 0.000 1.170 364 A CA 1.284 53.377 52.037 0.093 0.000 0.645 364 A CB -0.552 18.493 19.000 0.075 0.000 0.816 364 A HN 1.795 nan 8.150 nan 0.000 0.447 365 S N -3.490 112.233 115.700 0.038 0.000 2.615 365 S HA 0.356 4.834 4.470 0.012 0.000 0.269 365 S C 0.412 175.011 174.600 -0.002 0.000 1.161 365 S CA 0.151 58.361 58.200 0.017 0.000 0.817 365 S CB 0.971 64.176 63.200 0.007 0.000 1.131 365 S HN 0.678 nan 8.310 nan 0.000 0.467 366 V N 1.583 121.493 119.914 -0.006 0.000 2.720 366 V HA -0.093 4.035 4.120 0.012 0.000 0.256 366 V C 2.053 178.129 176.094 -0.030 0.000 1.082 366 V CA 2.078 64.368 62.300 -0.018 0.000 1.101 366 V CB -0.980 30.837 31.823 -0.010 0.000 0.693 366 V HN 0.875 nan 8.190 nan 0.000 0.479 367 K N -0.794 119.592 120.400 -0.023 0.000 2.167 367 K HA -0.060 4.267 4.320 0.012 0.000 0.203 367 K C 2.076 178.648 176.600 -0.046 0.000 1.052 367 K CA 1.636 57.906 56.287 -0.028 0.000 0.956 367 K CB -0.153 32.339 32.500 -0.013 0.000 0.735 367 K HN 0.463 nan 8.250 nan 0.000 0.451 368 M N 0.530 120.102 119.600 -0.046 0.000 2.200 368 M HA -0.139 4.348 4.480 0.012 0.000 0.265 368 M C 2.325 178.541 176.300 -0.140 0.000 1.066 368 M CA 1.259 56.515 55.300 -0.073 0.000 1.127 368 M CB 0.037 32.613 32.600 -0.040 0.000 1.379 368 M HN 0.026 nan 8.290 nan 0.000 0.420 369 S N 0.641 116.266 115.700 -0.125 0.000 2.370 369 S HA -0.167 4.311 4.470 0.012 0.000 0.226 369 S C 1.571 176.069 174.600 -0.170 0.000 1.033 369 S CA 1.839 59.940 58.200 -0.165 0.000 1.011 369 S CB -0.415 62.722 63.200 -0.105 0.000 0.852 369 S HN 0.584 nan 8.310 nan 0.000 0.457 370 N N 1.177 119.803 118.700 -0.123 0.000 2.142 370 N HA -0.044 4.704 4.740 0.012 0.000 0.186 370 N C 1.746 177.171 175.510 -0.142 0.000 1.023 370 N CA 1.343 54.324 53.050 -0.115 0.000 0.852 370 N CB -0.518 37.922 38.487 -0.078 0.000 0.998 370 N HN 0.605 nan 8.380 nan 0.000 0.424 371 E N 0.215 120.331 120.200 -0.140 0.000 2.106 371 E HA -0.022 4.336 4.350 0.012 0.000 0.192 371 E C 1.773 178.244 176.600 -0.216 0.000 0.984 371 E CA 0.475 56.786 56.400 -0.149 0.000 0.806 371 E CB 0.118 29.755 29.700 -0.104 0.000 0.750 371 E HN 0.227 nan 8.360 nan 0.000 0.458 372 I N 0.857 121.262 120.570 -0.276 0.000 2.233 372 I HA -0.159 4.019 4.170 0.012 0.000 0.243 372 I C 2.441 178.300 176.117 -0.430 0.000 1.093 372 I CA 0.987 62.043 61.300 -0.406 0.000 1.380 372 I CB -1.196 36.379 38.000 -0.708 0.000 1.067 372 I HN 0.037 nan 8.210 nan 0.000 0.413 373 A N 0.184 122.794 122.820 -0.350 0.000 1.930 373 A HA -0.215 4.112 4.320 0.012 0.000 0.217 373 A C 2.241 179.676 177.584 -0.247 0.000 1.175 373 A CA 1.246 53.115 52.037 -0.280 0.000 0.627 373 A CB -0.618 18.264 19.000 -0.198 0.000 0.815 373 A HN 0.463 nan 8.150 nan 0.000 0.443 374 Q N -1.384 118.281 119.800 -0.224 0.000 2.170 374 Q HA -0.175 4.172 4.340 0.012 0.000 0.203 374 Q C 2.233 178.078 176.000 -0.258 0.000 0.976 374 Q CA 1.409 57.093 55.803 -0.199 0.000 0.858 374 Q CB -0.447 28.194 28.738 -0.162 0.000 0.907 374 Q HN 0.796 nan 8.270 nan 0.000 0.433 375 C N -0.103 118.984 119.300 -0.355 0.000 2.457 375 C HA -0.019 4.449 4.460 0.012 0.000 0.278 375 C C 2.327 176.991 174.990 -0.544 0.000 1.309 375 C CA 0.404 59.114 59.018 -0.514 0.000 1.735 375 C CB -0.785 26.506 27.740 -0.750 0.000 1.992 375 C HN 0.473 nan 8.230 nan 0.000 0.493 376 L N 1.090 122.021 121.223 -0.486 0.000 2.131 376 L HA -0.119 4.228 4.340 0.012 0.000 0.206 376 L C 2.947 179.657 176.870 -0.268 0.000 1.087 376 L CA 1.782 56.364 54.840 -0.429 0.000 0.767 376 L CB -0.682 41.067 42.059 -0.516 0.000 0.917 376 L HN 0.529 nan 8.230 nan 0.000 0.441 377 Q N -0.163 119.511 119.800 -0.211 0.000 2.291 377 Q HA -0.179 4.169 4.340 0.012 0.000 0.205 377 Q C 1.990 177.916 176.000 -0.124 0.000 0.970 377 Q CA 0.980 56.706 55.803 -0.128 0.000 0.876 377 Q CB -0.253 28.425 28.738 -0.100 0.000 0.935 377 Q HN 0.400 nan 8.270 nan 0.000 0.455 378 R N 0.193 120.592 120.500 -0.169 0.000 2.280 378 R HA 0.074 4.422 4.340 0.012 0.000 0.207 378 R C 1.425 177.643 176.300 -0.137 0.000 1.043 378 R CA 0.832 56.841 56.100 -0.151 0.000 1.006 378 R CB 0.061 30.250 30.300 -0.184 0.000 0.885 378 R HN 0.376 nan 8.270 nan 0.000 0.467 379 A N -0.066 122.665 122.820 -0.149 0.000 2.345 379 A HA 0.275 4.602 4.320 0.012 0.000 0.225 379 A C 1.008 178.563 177.584 -0.049 0.000 1.243 379 A CA 0.469 52.445 52.037 -0.102 0.000 0.875 379 A CB 0.247 19.176 19.000 -0.119 0.000 0.929 379 A HN 0.329 nan 8.150 nan 0.000 0.502 380 G N 0.093 108.864 108.800 -0.048 0.000 2.248 380 G HA2 -0.189 3.778 3.960 0.012 0.000 0.263 380 G HA3 -0.189 3.778 3.960 0.012 0.000 0.263 380 G C -0.274 174.635 174.900 0.015 0.000 1.082 380 G CA 0.155 45.246 45.100 -0.015 0.000 0.863 380 G HN 0.322 nan 8.290 nan 0.000 0.495 381 K N 0.139 120.547 120.400 0.013 0.000 2.323 381 K HA 0.394 4.721 4.320 0.012 0.000 0.259 381 K C 0.605 177.263 176.600 0.096 0.000 0.947 381 K CA -0.856 55.482 56.287 0.085 0.000 0.819 381 K CB 1.534 34.089 32.500 0.092 0.000 1.109 381 K HN 0.349 nan 8.250 nan 0.000 0.429 382 R N 1.387 121.974 120.500 0.146 0.000 2.316 382 R HA 0.272 4.619 4.340 0.012 0.000 0.314 382 R C -0.221 176.217 176.300 0.230 0.000 1.069 382 R CA -0.223 55.968 56.100 0.151 0.000 0.959 382 R CB 0.545 30.932 30.300 0.146 0.000 0.987 382 R HN 0.196 nan 8.270 nan 0.000 0.446 383 V N 5.568 125.573 119.914 0.151 0.000 2.709 383 V HA 0.466 4.594 4.120 0.012 0.000 0.308 383 V C -0.175 175.946 176.094 0.045 0.000 1.062 383 V CA -0.793 61.588 62.300 0.134 0.000 0.901 383 V CB 2.245 34.095 31.823 0.046 0.000 1.003 383 V HN 0.606 nan 8.190 nan 0.000 0.425 384 I N 3.356 123.914 120.570 -0.021 0.000 2.433 384 I HA 0.462 4.639 4.170 0.012 0.000 0.292 384 I C -0.270 175.774 176.117 -0.123 0.000 1.001 384 I CA -0.489 60.744 61.300 -0.112 0.000 1.119 384 I CB 1.878 39.731 38.000 -0.246 0.000 1.289 384 I HN 0.560 nan 8.210 nan 0.000 0.438 385 Q N 6.541 126.285 119.800 -0.094 0.000 2.290 385 Q HA 0.587 4.934 4.340 0.012 0.000 0.259 385 Q C -1.135 174.830 176.000 -0.059 0.000 0.941 385 Q CA -0.507 55.246 55.803 -0.083 0.000 0.912 385 Q CB 2.452 31.147 28.738 -0.072 0.000 1.244 385 Q HN 0.536 nan 8.270 nan 0.000 0.441 386 L N 4.332 125.530 121.223 -0.041 0.000 2.388 386 L HA 0.365 4.712 4.340 0.012 0.000 0.267 386 L C -0.621 176.293 176.870 0.073 0.000 0.995 386 L CA -0.725 54.132 54.840 0.029 0.000 0.864 386 L CB 0.647 42.744 42.059 0.063 0.000 1.216 386 L HN 0.677 nan 8.230 nan 0.000 0.430 387 N N 1.810 120.555 118.700 0.075 0.000 2.813 387 N HA 0.401 5.148 4.740 0.012 0.000 0.320 387 N C 0.550 176.113 175.510 0.087 0.000 1.315 387 N CA -0.940 52.151 53.050 0.068 0.000 0.871 387 N CB 0.679 39.183 38.487 0.029 0.000 1.241 387 N HN 0.159 nan 8.380 nan 0.000 0.602 388 R N -0.789 119.732 120.500 0.035 0.000 2.237 388 R HA -0.018 4.329 4.340 0.012 0.000 0.219 388 R C 1.671 177.979 176.300 0.013 0.000 1.080 388 R CA 0.949 57.050 56.100 0.001 0.000 0.995 388 R CB -0.037 30.247 30.300 -0.028 0.000 0.875 388 R HN 0.621 nan 8.270 nan 0.000 0.462 389 K N 0.518 120.930 120.400 0.019 0.000 2.044 389 K HA -0.046 4.282 4.320 0.012 0.000 0.204 389 K C 1.303 177.923 176.600 0.034 0.000 1.045 389 K CA 1.605 57.898 56.287 0.010 0.000 0.951 389 K CB 0.160 32.660 32.500 0.000 0.000 0.738 389 K HN 0.128 nan 8.250 nan 0.000 0.443 390 S N -0.214 115.516 115.700 0.050 0.000 2.583 390 S HA 0.038 4.516 4.470 0.012 0.000 0.239 390 S C 1.114 175.756 174.600 0.070 0.000 0.966 390 S CA -0.778 57.448 58.200 0.044 0.000 0.973 390 S CB -0.219 62.992 63.200 0.017 0.000 0.794 390 S HN 0.397 nan 8.310 nan 0.000 0.463 391 Y N 2.525 122.816 120.300 -0.015 0.000 2.092 391 Y HA -0.096 4.461 4.550 0.012 0.000 0.282 391 Y C 2.218 178.129 175.900 0.019 0.000 1.126 391 Y CA 2.032 60.127 58.100 -0.009 0.000 1.111 391 Y CB -0.468 37.946 38.460 -0.075 0.000 0.987 391 Y HN 0.310 nan 8.280 nan 0.000 0.489 392 D N -0.848 119.659 120.400 0.179 0.000 2.190 392 D HA -0.173 4.474 4.640 0.012 0.000 0.200 392 D C 1.818 178.128 176.300 0.016 0.000 0.992 392 D CA 1.958 56.013 54.000 0.092 0.000 0.854 392 D CB -0.018 40.832 40.800 0.083 0.000 0.936 392 D HN 0.477 nan 8.370 nan 0.000 0.462 393 T N 0.197 114.754 114.554 0.006 0.000 2.781 393 T HA -0.023 4.334 4.350 0.012 0.000 0.252 393 T C 1.657 176.333 174.700 -0.040 0.000 1.039 393 T CA 0.636 62.729 62.100 -0.011 0.000 1.147 393 T CB 0.020 68.887 68.868 -0.003 0.000 0.865 393 T HN 0.148 nan 8.240 nan 0.000 0.423 394 E N 0.191 120.357 120.200 -0.057 0.000 2.318 394 E HA 0.046 4.404 4.350 0.012 0.000 0.193 394 E C 1.766 178.279 176.600 -0.144 0.000 0.998 394 E CA 0.218 56.566 56.400 -0.087 0.000 0.859 394 E CB -0.153 29.503 29.700 -0.073 0.000 0.812 394 E HN 0.561 nan 8.360 nan 0.000 0.492 395 Y N 2.518 122.606 120.300 -0.353 0.000 2.181 395 Y HA -0.095 4.461 4.550 0.011 0.000 0.288 395 Y C -0.783 174.945 175.900 -0.287 0.000 1.146 395 Y CA 1.491 59.310 58.100 -0.469 0.000 1.164 395 Y CB -0.977 36.874 38.460 -1.014 0.000 0.982 395 Y HN 0.026 nan 8.280 nan 0.000 0.515 396 P HA -0.153 nan 4.420 nan 0.000 0.221 396 P C 0.995 178.178 177.300 -0.195 0.000 1.145 396 P CA 1.961 64.937 63.100 -0.206 0.000 0.795 396 P CB -0.051 31.604 31.700 -0.074 0.000 0.775 397 K N -1.260 119.036 120.400 -0.173 0.000 2.283 397 K HA -0.084 4.243 4.320 0.012 0.000 0.202 397 K C 1.736 178.280 176.600 -0.093 0.000 1.048 397 K CA 0.925 57.149 56.287 -0.105 0.000 0.948 397 K CB -0.517 31.933 32.500 -0.084 0.000 0.742 397 K HN 0.177 nan 8.250 nan 0.000 0.458 398 C N 0.877 120.023 119.300 -0.256 0.000 2.419 398 C HA -0.060 4.408 4.460 0.012 0.000 0.281 398 C C 2.356 177.438 174.990 0.153 0.000 1.336 398 C CA 0.443 59.329 59.018 -0.220 0.000 1.770 398 C CB -0.502 26.949 27.740 -0.482 0.000 1.929 398 C HN 0.465 nan 8.230 nan 0.000 0.509 399 K N 1.237 121.616 120.400 -0.036 0.000 2.148 399 K HA -0.128 4.199 4.320 0.012 0.000 0.204 399 K C 1.738 178.387 176.600 0.081 0.000 1.050 399 K CA 1.098 57.393 56.287 0.014 0.000 0.942 399 K CB -0.187 32.276 32.500 -0.061 0.000 0.724 399 K HN 0.472 nan 8.250 nan 0.000 0.446 400 N N 0.038 118.794 118.700 0.092 0.000 2.104 400 N HA -0.132 4.616 4.740 0.012 0.000 0.190 400 N C 1.339 176.897 175.510 0.081 0.000 1.024 400 N CA 1.777 54.876 53.050 0.080 0.000 0.853 400 N CB -0.088 38.445 38.487 0.076 0.000 1.008 400 N HN 0.512 nan 8.380 nan 0.000 0.424 401 G N 0.448 109.343 108.800 0.158 0.000 2.176 401 G HA2 -0.226 3.741 3.960 0.012 0.000 0.232 401 G HA3 -0.226 3.741 3.960 0.012 0.000 0.232 401 G C -0.118 174.684 174.900 -0.163 0.000 0.986 401 G CA 0.200 45.243 45.100 -0.095 0.000 0.643 401 G HN 0.398 nan 8.290 nan 0.000 0.522 402 D N 1.621 122.084 120.400 0.105 0.000 2.600 402 D HA 0.404 5.051 4.640 0.012 0.000 0.226 402 D C 0.579 177.054 176.300 0.293 0.000 1.119 402 D CA 0.157 54.228 54.000 0.119 0.000 1.051 402 D CB -0.799 40.072 40.800 0.118 0.000 1.106 402 D HN 0.630 nan 8.370 nan 0.000 0.491 403 W N 1.358 122.663 121.300 0.007 0.000 3.338 403 W HA 0.193 4.860 4.660 0.011 0.000 0.299 403 W C -1.043 175.492 176.519 0.028 0.000 1.226 403 W CA -0.586 56.772 57.345 0.022 0.000 1.183 403 W CB 0.006 29.474 29.460 0.013 0.000 1.360 403 W HN -0.221 nan 8.180 nan 0.000 0.569 404 D N 0.691 121.268 120.400 0.295 0.000 2.470 404 D HA 0.235 4.882 4.640 0.012 0.000 0.238 404 D C -0.373 176.049 176.300 0.204 0.000 1.054 404 D CA 0.969 55.061 54.000 0.154 0.000 0.896 404 D CB 0.953 41.905 40.800 0.254 0.000 1.118 404 D HN 0.060 nan 8.370 nan 0.000 0.497 405 F N 0.398 120.594 119.950 0.411 0.000 2.556 405 F HA 0.406 4.942 4.527 0.015 0.000 0.314 405 F C -0.412 175.488 175.800 0.167 0.000 1.106 405 F CA -0.974 57.213 58.000 0.312 0.000 0.911 405 F CB 2.564 41.674 39.000 0.184 0.000 1.190 405 F HN -0.443 nan 8.300 nan 0.000 0.448 406 V N 5.402 125.376 119.914 0.100 0.000 2.357 406 V HA 0.425 4.553 4.120 0.012 0.000 0.284 406 V C -0.485 175.524 176.094 -0.141 0.000 1.018 406 V CA -0.636 61.508 62.300 -0.260 0.000 0.841 406 V CB 1.408 32.764 31.823 -0.778 0.000 0.991 406 V HN 0.386 nan 8.190 nan 0.000 0.437 407 I N 4.459 124.959 120.570 -0.117 0.000 2.339 407 I HA 0.551 4.728 4.170 0.012 0.000 0.290 407 I C 0.182 176.211 176.117 -0.146 0.000 0.994 407 I CA 0.079 61.308 61.300 -0.117 0.000 1.191 407 I CB 1.213 39.114 38.000 -0.165 0.000 1.343 407 I HN 0.601 nan 8.210 nan 0.000 0.458 408 T N 4.124 118.580 114.554 -0.164 0.000 2.883 408 T HA 0.620 4.977 4.350 0.012 0.000 0.301 408 T C 0.157 174.871 174.700 0.024 0.000 1.158 408 T CA -0.262 61.774 62.100 -0.106 0.000 1.007 408 T CB 1.561 70.328 68.868 -0.168 0.000 1.186 408 T HN 0.780 nan 8.240 nan 0.000 0.499 409 T N 1.075 115.689 114.554 0.100 0.000 2.865 409 T HA 0.330 4.688 4.350 0.012 0.000 0.302 409 T C 0.710 175.581 174.700 0.285 0.000 1.078 409 T CA -0.214 61.988 62.100 0.171 0.000 0.942 409 T CB -0.115 68.811 68.868 0.097 0.000 1.387 409 T HN 0.499 nan 8.240 nan 0.000 0.557 410 D N -0.294 120.236 120.400 0.216 0.000 2.309 410 D HA -0.028 4.620 4.640 0.012 0.000 0.212 410 D C 1.700 178.092 176.300 0.155 0.000 0.968 410 D CA 0.283 54.400 54.000 0.194 0.000 0.882 410 D CB -0.567 40.292 40.800 0.099 0.000 0.918 410 D HN 0.447 nan 8.370 nan 0.000 0.503 411 I N 0.414 121.042 120.570 0.096 0.000 2.315 411 I HA -0.266 3.911 4.170 0.012 0.000 0.251 411 I C 1.724 177.805 176.117 -0.060 0.000 1.125 411 I CA 1.306 62.579 61.300 -0.045 0.000 1.392 411 I CB -0.137 37.800 38.000 -0.104 0.000 1.065 411 I HN -0.187 nan 8.210 nan 0.000 0.424 412 S N 0.096 115.908 115.700 0.185 0.000 2.555 412 S HA -0.107 4.370 4.470 0.012 0.000 0.230 412 S C 1.630 176.404 174.600 0.290 0.000 0.978 412 S CA 0.690 59.072 58.200 0.303 0.000 0.934 412 S CB -0.460 63.032 63.200 0.486 0.000 0.766 412 S HN 0.580 nan 8.310 nan 0.000 0.533 413 E N 0.289 120.620 120.200 0.219 0.000 2.268 413 E HA -0.030 4.328 4.350 0.012 0.000 0.195 413 E C -0.241 176.419 176.600 0.100 0.000 0.995 413 E CA 0.644 57.143 56.400 0.165 0.000 0.836 413 E CB -0.052 29.739 29.700 0.151 0.000 0.763 413 E HN 0.352 nan 8.360 nan 0.000 0.491 414 M N 0.068 119.594 119.600 -0.123 0.000 2.103 414 M HA 0.264 4.752 4.480 0.012 0.000 0.350 414 M C 0.095 176.228 176.300 -0.277 0.000 1.100 414 M CA -0.143 54.976 55.300 -0.301 0.000 1.042 414 M CB 1.259 33.389 32.600 -0.783 0.000 1.368 414 M HN 0.076 nan 8.290 nan 0.000 0.404 415 G N 2.524 111.240 108.800 -0.140 0.000 2.333 415 G HA2 0.002 3.969 3.960 0.012 0.000 0.296 415 G HA3 0.002 3.969 3.960 0.012 0.000 0.296 415 G C -0.161 174.654 174.900 -0.142 0.000 1.059 415 G CA 0.193 45.215 45.100 -0.131 0.000 1.050 415 G HN 1.032 nan 8.290 nan 0.000 0.508 416 A N 0.177 122.924 122.820 -0.121 0.000 2.287 416 A HA 0.754 5.082 4.320 0.012 0.000 0.317 416 A C 0.001 177.365 177.584 -0.366 0.000 1.220 416 A CA -0.703 51.198 52.037 -0.226 0.000 0.835 416 A CB 0.776 19.643 19.000 -0.222 0.000 1.180 416 A HN 0.475 nan 8.150 nan 0.000 0.500 417 N N 1.594 120.122 118.700 -0.286 0.000 2.457 417 N HA 0.615 5.363 4.740 0.012 0.000 0.250 417 N C -1.408 173.885 175.510 -0.360 0.000 0.982 417 N CA -0.004 52.906 53.050 -0.233 0.000 0.941 417 N CB 0.873 39.332 38.487 -0.045 0.000 1.120 417 N HN 0.455 nan 8.380 nan 0.000 0.505 418 F N -0.516 119.536 119.950 0.170 0.000 2.508 418 F HA 0.482 5.016 4.527 0.012 0.000 0.325 418 F C 1.541 177.466 175.800 0.209 0.000 1.090 418 F CA -1.325 56.801 58.000 0.210 0.000 0.945 418 F CB 1.731 40.871 39.000 0.234 0.000 1.156 418 F HN 0.538 nan 8.300 nan 0.000 0.463 419 G N 0.987 110.049 108.800 0.436 0.000 3.124 419 G HA2 0.346 4.314 3.960 0.012 0.000 0.212 419 G HA3 0.346 4.314 3.960 0.012 0.000 0.212 419 G C 0.448 175.458 174.900 0.182 0.000 1.181 419 G CA 0.258 45.496 45.100 0.230 0.000 0.803 419 G HN 0.784 nan 8.290 nan 0.000 0.529 420 A N 0.216 123.214 122.820 0.297 0.000 2.346 420 A HA 0.551 4.879 4.320 0.012 0.000 0.252 420 A C 1.533 179.224 177.584 0.177 0.000 1.089 420 A CA 0.489 52.649 52.037 0.205 0.000 0.797 420 A CB 0.664 19.828 19.000 0.272 0.000 1.047 420 A HN 0.609 nan 8.150 nan 0.000 0.494 421 S N -0.273 115.525 115.700 0.163 0.000 2.526 421 S HA 0.260 4.738 4.470 0.012 0.000 0.220 421 S C 0.624 175.334 174.600 0.184 0.000 1.017 421 S CA -0.070 58.243 58.200 0.188 0.000 0.930 421 S CB 0.067 63.400 63.200 0.222 0.000 0.856 421 S HN 0.750 nan 8.310 nan 0.000 0.497 422 R N 0.528 121.090 120.500 0.103 0.000 2.628 422 R HA 0.680 5.028 4.340 0.012 0.000 0.288 422 R C -2.166 174.171 176.300 0.060 0.000 0.980 422 R CA -0.474 55.630 56.100 0.007 0.000 0.891 422 R CB 2.162 32.212 30.300 -0.417 0.000 1.188 422 R HN 0.132 nan 8.270 nan 0.000 0.450 423 V N 6.006 126.030 119.914 0.183 0.000 2.444 423 V HA 0.427 4.554 4.120 0.012 0.000 0.294 423 V C -0.127 176.087 176.094 0.199 0.000 1.022 423 V CA -0.648 61.806 62.300 0.258 0.000 0.850 423 V CB 1.742 33.849 31.823 0.474 0.000 0.992 423 V HN 0.669 nan 8.190 nan 0.000 0.426 424 I N 4.300 124.903 120.570 0.055 0.000 2.315 424 I HA 0.420 4.597 4.170 0.012 0.000 0.291 424 I C -0.635 175.463 176.117 -0.032 0.000 1.006 424 I CA -0.026 61.176 61.300 -0.163 0.000 1.265 424 I CB 1.427 39.011 38.000 -0.693 0.000 1.387 424 I HN 0.544 nan 8.210 nan 0.000 0.475 425 D N 5.175 125.574 120.400 -0.002 0.000 2.593 425 D HA 0.221 4.868 4.640 0.012 0.000 0.251 425 D C 0.498 176.868 176.300 0.117 0.000 1.140 425 D CA -0.691 53.407 54.000 0.164 0.000 0.855 425 D CB 1.689 42.600 40.800 0.184 0.000 1.267 425 D HN 0.654 nan 8.370 nan 0.000 0.532 426 C N 3.545 122.976 119.300 0.217 0.000 2.562 426 C HA 0.341 4.808 4.460 0.012 0.000 0.266 426 C C 1.111 176.192 174.990 0.153 0.000 1.382 426 C CA -0.334 58.802 59.018 0.196 0.000 1.742 426 C CB -0.920 26.983 27.740 0.272 0.000 1.812 426 C HN 0.799 nan 8.230 nan 0.000 0.559 427 R N 0.393 120.978 120.500 0.142 0.000 3.516 427 R HA -0.179 4.168 4.340 0.012 0.000 0.271 427 R C -0.563 175.789 176.300 0.087 0.000 1.098 427 R CA 1.046 57.206 56.100 0.100 0.000 0.732 427 R CB -1.784 28.581 30.300 0.108 0.000 1.152 427 R HN 0.730 nan 8.270 nan 0.000 0.455 428 K N -0.419 120.043 120.400 0.102 0.000 2.495 428 K HA 0.617 4.945 4.320 0.012 0.000 0.268 428 K C -0.791 175.863 176.600 0.090 0.000 1.008 428 K CA -0.340 55.999 56.287 0.087 0.000 0.882 428 K CB 2.346 34.900 32.500 0.091 0.000 1.443 428 K HN 0.169 nan 8.250 nan 0.000 0.447 429 S N -1.144 114.597 115.700 0.069 0.000 2.565 429 S HA 0.328 4.806 4.470 0.012 0.000 0.274 429 S C -1.408 173.216 174.600 0.039 0.000 1.144 429 S CA -0.958 57.280 58.200 0.063 0.000 0.849 429 S CB 1.080 64.318 63.200 0.063 0.000 1.103 429 S HN 0.171 nan 8.310 nan 0.000 0.455 430 V N 2.724 122.656 119.914 0.030 0.000 2.385 430 V HA 0.468 4.595 4.120 0.012 0.000 0.269 430 V C -0.082 176.008 176.094 -0.007 0.000 1.043 430 V CA -0.100 62.205 62.300 0.007 0.000 0.906 430 V CB 0.534 32.358 31.823 0.001 0.000 0.995 430 V HN 0.860 nan 8.190 nan 0.000 0.467 431 K N 6.167 126.555 120.400 -0.020 0.000 2.318 431 K HA 0.577 4.905 4.320 0.012 0.000 0.249 431 K C -2.916 173.640 176.600 -0.074 0.000 0.942 431 K CA -1.991 54.273 56.287 -0.037 0.000 0.808 431 K CB 1.988 34.472 32.500 -0.026 0.000 1.189 431 K HN 0.291 nan 8.250 nan 0.000 0.428 432 P HA 0.059 nan 4.420 nan 0.000 0.276 432 P C -0.968 176.227 177.300 -0.176 0.000 1.243 432 P CA -0.335 62.678 63.100 -0.145 0.000 0.768 432 P CB 0.765 32.373 31.700 -0.153 0.000 0.856 433 T N 0.978 115.424 114.554 -0.181 0.000 2.887 433 T HA 0.680 5.038 4.350 0.012 0.000 0.288 433 T C -0.159 174.402 174.700 -0.233 0.000 1.021 433 T CA -0.837 61.157 62.100 -0.177 0.000 1.000 433 T CB 0.952 69.752 68.868 -0.114 0.000 1.034 433 T HN 0.100 nan 8.240 nan 0.000 0.467 434 I N 2.107 122.544 120.570 -0.222 0.000 2.359 434 I HA 0.396 4.573 4.170 0.012 0.000 0.294 434 I C -0.620 175.407 176.117 -0.149 0.000 0.987 434 I CA -1.067 60.069 61.300 -0.273 0.000 1.225 434 I CB 1.430 39.276 38.000 -0.257 0.000 1.366 434 I HN 0.451 nan 8.210 nan 0.000 0.466 435 L N 5.756 126.896 121.223 -0.139 0.000 2.298 435 L HA 0.271 4.618 4.340 0.012 0.000 0.284 435 L C 0.286 177.174 176.870 0.030 0.000 1.013 435 L CA -0.406 54.411 54.840 -0.038 0.000 0.824 435 L CB 1.443 43.490 42.059 -0.021 0.000 1.221 435 L HN 0.636 nan 8.230 nan 0.000 0.418 436 D N 0.142 120.579 120.400 0.062 0.000 2.348 436 D HA -0.100 4.548 4.640 0.012 0.000 0.211 436 D C 0.325 176.702 176.300 0.128 0.000 0.998 436 D CA -0.204 53.868 54.000 0.120 0.000 0.873 436 D CB 0.156 41.018 40.800 0.102 0.000 0.925 436 D HN 0.566 nan 8.370 nan 0.000 0.524 437 E N 0.712 120.971 120.200 0.099 0.000 2.465 437 E HA 0.257 4.615 4.350 0.012 0.000 0.260 437 E C 1.168 177.841 176.600 0.121 0.000 0.980 437 E CA 0.072 56.528 56.400 0.093 0.000 0.927 437 E CB 0.477 30.218 29.700 0.069 0.000 0.934 437 E HN 0.214 nan 8.360 nan 0.000 0.459 438 G N 4.269 113.137 108.800 0.113 0.000 2.601 438 G HA2 -0.400 3.567 3.960 0.012 0.000 0.306 438 G HA3 -0.400 3.567 3.960 0.012 0.000 0.306 438 G C 0.721 175.726 174.900 0.175 0.000 1.172 438 G CA 0.418 45.594 45.100 0.127 0.000 0.966 438 G HN 0.649 nan 8.290 nan 0.000 0.542 439 E N 1.581 121.920 120.200 0.232 0.000 2.099 439 E HA 0.400 4.757 4.350 0.012 0.000 0.191 439 E C 1.290 178.151 176.600 0.435 0.000 0.962 439 E CA 1.280 57.886 56.400 0.343 0.000 0.826 439 E CB 0.453 30.411 29.700 0.430 0.000 0.788 439 E HN 1.906 nan 8.360 nan 0.000 0.461 440 G N 0.305 109.376 108.800 0.452 0.000 2.317 440 G HA2 0.166 4.133 3.960 0.012 0.000 0.445 440 G HA3 0.166 4.133 3.960 0.012 0.000 0.445 440 G C -1.245 173.921 174.900 0.442 0.000 1.486 440 G CA -0.926 44.488 45.100 0.523 0.000 0.991 440 G HN -0.002 nan 8.290 nan 0.000 0.660 441 R N -0.375 120.161 120.500 0.060 0.000 2.515 441 R HA 0.521 4.869 4.340 0.012 0.000 0.278 441 R C -1.071 174.966 176.300 -0.438 0.000 1.107 441 R CA -0.750 55.287 56.100 -0.105 0.000 0.945 441 R CB 2.447 32.763 30.300 0.026 0.000 1.219 441 R HN 0.497 nan 8.270 nan 0.000 0.434 442 V N 5.818 125.377 119.914 -0.592 0.000 2.370 442 V HA 0.476 4.604 4.120 0.012 0.000 0.279 442 V C 0.166 176.100 176.094 -0.267 0.000 1.029 442 V CA -0.517 61.463 62.300 -0.534 0.000 0.870 442 V CB 1.246 32.676 31.823 -0.656 0.000 0.984 442 V HN 0.569 nan 8.190 nan 0.000 0.451 443 I N 2.954 123.400 120.570 -0.207 0.000 2.646 443 I HA 0.610 4.788 4.170 0.012 0.000 0.299 443 I C -0.635 175.405 176.117 -0.128 0.000 1.036 443 I CA -0.948 60.276 61.300 -0.127 0.000 1.074 443 I CB 1.949 39.911 38.000 -0.064 0.000 1.258 443 I HN 0.291 nan 8.210 nan 0.000 0.430 444 L N 4.769 125.927 121.223 -0.108 0.000 2.295 444 L HA 0.278 4.625 4.340 0.012 0.000 0.288 444 L C 0.863 177.704 176.870 -0.049 0.000 1.079 444 L CA -0.315 54.474 54.840 -0.086 0.000 0.830 444 L CB 0.818 42.826 42.059 -0.085 0.000 1.200 444 L HN 0.932 nan 8.230 nan 0.000 0.438 445 S N 2.812 118.484 115.700 -0.045 0.000 2.569 445 S HA 0.226 4.703 4.470 0.012 0.000 0.274 445 S C 0.282 174.877 174.600 -0.008 0.000 1.353 445 S CA -1.030 57.155 58.200 -0.025 0.000 1.023 445 S CB 1.144 64.330 63.200 -0.024 0.000 0.876 445 S HN 0.386 nan 8.310 nan 0.000 0.540 446 V N -1.365 118.550 119.914 0.003 0.000 2.811 446 V HA 0.377 4.504 4.120 0.012 0.000 0.302 446 V C -2.468 173.638 176.094 0.019 0.000 1.063 446 V CA -2.127 60.181 62.300 0.013 0.000 1.088 446 V CB -0.928 30.906 31.823 0.018 0.000 0.982 446 V HN 0.771 nan 8.190 nan 0.000 0.485 447 P HA 0.065 nan 4.420 nan 0.000 0.255 447 P C -0.126 177.198 177.300 0.040 0.000 1.161 447 P CA 0.877 64.000 63.100 0.039 0.000 0.768 447 P CB -0.071 31.658 31.700 0.049 0.000 0.746 448 S N 2.171 117.895 115.700 0.039 0.000 2.568 448 S HA 0.758 5.236 4.470 0.012 0.000 0.293 448 S C -0.334 174.292 174.600 0.044 0.000 1.089 448 S CA -1.113 57.110 58.200 0.038 0.000 0.945 448 S CB 1.835 65.052 63.200 0.028 0.000 1.077 448 S HN 0.424 nan 8.310 nan 0.000 0.485 449 A N 2.599 125.445 122.820 0.043 0.000 2.545 449 A HA 0.405 4.733 4.320 0.012 0.000 0.253 449 A C 0.717 178.323 177.584 0.037 0.000 1.074 449 A CA -0.545 51.518 52.037 0.043 0.000 0.760 449 A CB -1.159 17.865 19.000 0.041 0.000 1.005 449 A HN 0.990 nan 8.150 nan 0.000 0.506 450 I N 0.984 121.573 120.570 0.032 0.000 3.138 450 I HA 0.418 4.596 4.170 0.012 0.000 0.288 450 I C 0.959 177.084 176.117 0.012 0.000 1.148 450 I CA -0.322 60.992 61.300 0.023 0.000 1.315 450 I CB 0.223 38.228 38.000 0.008 0.000 1.426 450 I HN 0.648 nan 8.210 nan 0.000 0.615 451 T N 0.163 114.728 114.554 0.018 0.000 2.918 451 T HA 0.123 4.481 4.350 0.012 0.000 0.302 451 T C 1.218 175.895 174.700 -0.038 0.000 1.045 451 T CA -0.188 61.919 62.100 0.012 0.000 1.114 451 T CB 1.187 70.085 68.868 0.050 0.000 0.965 451 T HN 0.856 nan 8.240 nan 0.000 0.540 452 S N 2.168 117.832 115.700 -0.060 0.000 2.419 452 S HA -0.114 4.364 4.470 0.012 0.000 0.235 452 S C 2.323 176.836 174.600 -0.145 0.000 1.019 452 S CA 0.577 58.699 58.200 -0.130 0.000 0.982 452 S CB -0.991 62.130 63.200 -0.132 0.000 0.789 452 S HN 1.029 nan 8.310 nan 0.000 0.490 453 A N 1.629 124.398 122.820 -0.085 0.000 1.898 453 A HA 0.004 4.332 4.320 0.012 0.000 0.216 453 A C 2.448 179.968 177.584 -0.107 0.000 1.181 453 A CA 1.780 53.765 52.037 -0.086 0.000 0.620 453 A CB -1.296 17.691 19.000 -0.021 0.000 0.819 453 A HN 0.611 nan 8.150 nan 0.000 0.442 454 S N -0.339 115.322 115.700 -0.065 0.000 2.383 454 S HA 0.023 4.500 4.470 0.012 0.000 0.227 454 S C 2.110 176.622 174.600 -0.147 0.000 1.026 454 S CA 1.426 59.587 58.200 -0.066 0.000 0.981 454 S CB -0.421 62.764 63.200 -0.024 0.000 0.818 454 S HN 0.782 nan 8.310 nan 0.000 0.472 455 A N 1.068 123.793 122.820 -0.159 0.000 1.969 455 A HA 0.330 4.658 4.320 0.012 0.000 0.218 455 A C 2.385 179.811 177.584 -0.263 0.000 1.169 455 A CA 1.540 53.464 52.037 -0.189 0.000 0.635 455 A CB -1.157 17.739 19.000 -0.173 0.000 0.810 455 A HN 0.770 nan 8.150 nan 0.000 0.445 456 A N -1.356 121.295 122.820 -0.282 0.000 2.066 456 A HA -0.079 4.249 4.320 0.012 0.000 0.218 456 A C 2.071 179.505 177.584 -0.249 0.000 1.157 456 A CA 1.303 53.160 52.037 -0.300 0.000 0.670 456 A CB -0.266 18.581 19.000 -0.256 0.000 0.804 456 A HN 0.476 nan 8.150 nan 0.000 0.453 457 Q N -0.155 119.507 119.800 -0.230 0.000 2.096 457 Q HA -0.027 4.321 4.340 0.012 0.000 0.197 457 Q C 2.173 178.091 176.000 -0.136 0.000 0.964 457 Q CA 1.041 56.734 55.803 -0.184 0.000 0.838 457 Q CB -0.295 28.341 28.738 -0.169 0.000 0.906 457 Q HN 0.701 nan 8.270 nan 0.000 0.444 458 R N 0.348 120.677 120.500 -0.285 0.000 2.096 458 R HA -0.076 4.271 4.340 0.012 0.000 0.235 458 R C 2.321 178.574 176.300 -0.079 0.000 1.127 458 R CA 1.124 56.937 56.100 -0.479 0.000 0.968 458 R CB -0.219 29.500 30.300 -0.969 0.000 0.861 458 R HN 0.112 nan 8.270 nan 0.000 0.440 459 R N 0.498 120.843 120.500 -0.257 0.000 2.115 459 R HA -0.064 4.284 4.340 0.012 0.000 0.226 459 R C 1.884 178.072 176.300 -0.186 0.000 1.100 459 R CA 1.319 57.111 56.100 -0.514 0.000 0.980 459 R CB -0.219 29.501 30.300 -0.967 0.000 0.875 459 R HN 0.268 nan 8.270 nan 0.000 0.445 460 G N 0.108 108.846 108.800 -0.102 0.000 2.882 460 G HA2 -0.116 3.851 3.960 0.012 0.000 0.206 460 G HA3 -0.116 3.851 3.960 0.012 0.000 0.206 460 G C 0.971 175.926 174.900 0.092 0.000 1.155 460 G CA -0.256 44.833 45.100 -0.018 0.000 0.800 460 G HN 0.152 nan 8.290 nan 0.000 0.524 461 R N -0.047 120.571 120.500 0.196 0.000 2.193 461 R HA 0.064 4.411 4.340 0.012 0.000 0.213 461 R C 1.187 177.651 176.300 0.273 0.000 1.055 461 R CA 0.496 56.794 56.100 0.331 0.000 0.995 461 R CB -0.791 29.848 30.300 0.565 0.000 0.893 461 R HN 0.444 nan 8.270 nan 0.000 0.459 462 V N -4.709 115.325 119.914 0.200 0.000 3.019 462 V HA 0.852 4.980 4.120 0.012 0.000 0.317 462 V C 1.012 177.171 176.094 0.107 0.000 1.094 462 V CA -0.358 62.043 62.300 0.169 0.000 1.000 462 V CB 1.528 33.464 31.823 0.189 0.000 1.060 462 V HN 0.358 nan 8.190 nan 0.000 0.443 463 G N 1.436 110.296 108.800 0.099 0.000 2.176 463 G HA2 -0.239 3.728 3.960 0.012 0.000 0.253 463 G HA3 -0.239 3.728 3.960 0.012 0.000 0.253 463 G C 0.874 175.808 174.900 0.056 0.000 0.979 463 G CA 0.679 45.818 45.100 0.065 0.000 0.641 463 G HN 0.819 nan 8.290 nan 0.000 0.530 464 R N -0.192 120.351 120.500 0.072 0.000 2.062 464 R HA 0.019 4.366 4.340 0.012 0.000 0.229 464 R C 1.030 177.363 176.300 0.054 0.000 1.128 464 R CA 0.699 56.838 56.100 0.066 0.000 0.960 464 R CB -0.213 30.134 30.300 0.077 0.000 0.855 464 R HN 0.317 nan 8.270 nan 0.000 0.432 465 N N 1.521 120.256 118.700 0.058 0.000 2.438 465 N HA 0.001 4.748 4.740 0.012 0.000 0.267 465 N C -2.014 173.516 175.510 0.033 0.000 1.222 465 N CA -1.341 51.737 53.050 0.047 0.000 0.930 465 N CB 1.402 39.921 38.487 0.053 0.000 1.083 465 N HN -0.106 nan 8.380 nan 0.000 0.476 466 P HA -0.082 nan 4.420 nan 0.000 0.222 466 P C 1.020 178.326 177.300 0.011 0.000 1.147 466 P CA 1.038 64.144 63.100 0.010 0.000 0.790 466 P CB 0.286 31.990 31.700 0.006 0.000 0.780 467 S N -2.240 113.471 115.700 0.018 0.000 2.470 467 S HA 0.001 4.478 4.470 0.012 0.000 0.222 467 S C 1.087 175.701 174.600 0.023 0.000 1.024 467 S CA -0.158 58.052 58.200 0.018 0.000 0.931 467 S CB -0.686 62.525 63.200 0.018 0.000 0.791 467 S HN 0.104 nan 8.310 nan 0.000 0.513 468 Q N 1.677 121.496 119.800 0.031 0.000 2.360 468 Q HA 0.597 4.944 4.340 0.012 0.000 0.254 468 Q C -0.549 175.479 176.000 0.047 0.000 0.975 468 Q CA -0.766 55.062 55.803 0.041 0.000 0.912 468 Q CB 0.618 29.386 28.738 0.051 0.000 1.212 468 Q HN 0.703 nan 8.270 nan 0.000 0.452 469 I N -0.152 120.447 120.570 0.047 0.000 2.863 469 I HA 0.845 5.023 4.170 0.012 0.000 0.311 469 I C 0.645 176.815 176.117 0.089 0.000 1.026 469 I CA -0.579 60.752 61.300 0.051 0.000 1.077 469 I CB 1.843 39.859 38.000 0.027 0.000 1.262 469 I HN 0.705 nan 8.210 nan 0.000 0.461 470 G N 1.827 110.697 108.800 0.117 0.000 2.198 470 G HA2 -0.195 3.773 3.960 0.012 0.000 0.257 470 G HA3 -0.195 3.773 3.960 0.012 0.000 0.257 470 G C -0.377 174.676 174.900 0.255 0.000 1.042 470 G CA -0.013 45.235 45.100 0.246 0.000 0.791 470 G HN 0.827 nan 8.290 nan 0.000 0.502 471 D N 0.550 121.067 120.400 0.194 0.000 2.399 471 D HA 0.326 4.974 4.640 0.012 0.000 0.241 471 D C 0.847 177.284 176.300 0.228 0.000 1.133 471 D CA 0.459 54.574 54.000 0.193 0.000 0.890 471 D CB 0.761 41.658 40.800 0.162 0.000 1.201 471 D HN 0.549 nan 8.370 nan 0.000 0.432 472 E N 0.413 120.740 120.200 0.213 0.000 2.231 472 E HA 0.288 4.646 4.350 0.012 0.000 0.277 472 E C -0.977 175.779 176.600 0.260 0.000 0.999 472 E CA -0.724 55.794 56.400 0.196 0.000 0.827 472 E CB 1.628 31.434 29.700 0.177 0.000 1.101 472 E HN 0.334 nan 8.360 nan 0.000 0.393 473 Y N 2.207 122.540 120.300 0.056 0.000 2.333 473 Y HA 0.271 4.829 4.550 0.013 0.000 0.324 473 Y C -1.610 174.322 175.900 0.053 0.000 1.033 473 Y CA -0.710 57.462 58.100 0.120 0.000 1.224 473 Y CB 0.577 39.133 38.460 0.160 0.000 1.120 473 Y HN 0.556 nan 8.280 nan 0.000 0.457 474 H N 5.951 124.848 119.070 -0.290 0.000 2.552 474 H HA 0.393 4.956 4.556 0.012 0.000 0.311 474 H C -1.201 173.856 175.328 -0.452 0.000 1.071 474 H CA -0.155 55.686 56.048 -0.346 0.000 1.307 474 H CB 0.509 30.167 29.762 -0.174 0.000 1.416 474 H HN 0.626 nan 8.280 nan 0.000 0.464 475 Y N 0.210 120.272 120.300 -0.396 0.000 2.446 475 Y HA 0.773 5.330 4.550 0.012 0.000 0.345 475 Y C -0.110 175.738 175.900 -0.088 0.000 0.984 475 Y CA -1.613 56.318 58.100 -0.282 0.000 1.058 475 Y CB 1.421 39.721 38.460 -0.267 0.000 1.220 475 Y HN 0.672 nan 8.280 nan 0.000 0.455 476 G N 1.186 110.027 108.800 0.068 0.000 2.626 476 G HA2 0.605 4.573 3.960 0.012 0.000 0.304 476 G HA3 0.605 4.573 3.960 0.012 0.000 0.304 476 G C -0.236 174.736 174.900 0.120 0.000 1.385 476 G CA -0.542 44.586 45.100 0.046 0.000 0.957 476 G HN 1.592 nan 8.290 nan 0.000 0.504 477 G N 0.222 109.096 108.800 0.124 0.000 2.730 477 G HA2 0.411 4.379 3.960 0.012 0.000 0.686 477 G HA3 0.411 4.379 3.960 0.012 0.000 0.686 477 G C 0.513 175.507 174.900 0.157 0.000 1.343 477 G CA -0.132 45.042 45.100 0.123 0.000 0.826 477 G HN 1.538 nan 8.290 nan 0.000 0.582 478 G N -0.681 108.186 108.800 0.112 0.000 2.510 478 G HA2 0.936 4.904 3.960 0.012 0.000 0.280 478 G HA3 0.936 4.904 3.960 0.012 0.000 0.280 478 G C 0.646 175.576 174.900 0.050 0.000 1.386 478 G CA 0.999 46.152 45.100 0.089 0.000 1.047 478 G HN 2.014 nan 8.290 nan 0.000 0.527 479 T N -3.550 111.015 114.554 0.019 0.000 2.927 479 T HA 0.691 5.049 4.350 0.012 0.000 0.286 479 T C -0.397 174.309 174.700 0.010 0.000 1.040 479 T CA -0.647 61.452 62.100 -0.002 0.000 1.010 479 T CB 1.832 70.671 68.868 -0.048 0.000 1.177 479 T HN 0.856 nan 8.240 nan 0.000 0.546 480 S N -0.757 114.950 115.700 0.012 0.000 2.535 480 S HA 0.411 4.889 4.470 0.012 0.000 0.272 480 S C -0.512 174.106 174.600 0.030 0.000 1.149 480 S CA -0.636 57.577 58.200 0.022 0.000 0.888 480 S CB 1.654 64.871 63.200 0.028 0.000 1.110 480 S HN 0.726 nan 8.310 nan 0.000 0.463 481 E N 1.471 121.689 120.200 0.028 0.000 2.498 481 E HA 0.083 4.441 4.350 0.012 0.000 0.203 481 E C -0.316 176.310 176.600 0.042 0.000 1.013 481 E CA 0.091 56.514 56.400 0.038 0.000 0.927 481 E CB 0.057 29.769 29.700 0.020 0.000 1.012 481 E HN 0.763 nan 8.360 nan 0.000 0.482 482 D N 2.025 122.446 120.400 0.035 0.000 2.688 482 D HA -0.034 4.614 4.640 0.012 0.000 0.228 482 D C 0.090 176.424 176.300 0.058 0.000 1.116 482 D CA -0.205 53.812 54.000 0.028 0.000 1.023 482 D CB -0.115 40.694 40.800 0.015 0.000 1.100 482 D HN -0.093 nan 8.370 nan 0.000 0.487 483 D N -0.361 120.108 120.400 0.114 0.000 2.388 483 D HA -0.092 4.555 4.640 0.012 0.000 0.221 483 D C 1.215 177.703 176.300 0.313 0.000 1.133 483 D CA -0.158 53.964 54.000 0.203 0.000 0.831 483 D CB -0.273 40.699 40.800 0.286 0.000 0.962 483 D HN 0.244 nan 8.370 nan 0.000 0.502 484 T N -1.107 113.501 114.554 0.090 0.000 2.881 484 T HA -0.209 4.148 4.350 0.012 0.000 0.270 484 T C 2.010 176.740 174.700 0.051 0.000 1.068 484 T CA 1.128 63.189 62.100 -0.065 0.000 1.131 484 T CB -0.643 68.136 68.868 -0.149 0.000 0.871 484 T HN 0.365 nan 8.240 nan 0.000 0.479 485 M N -0.145 119.483 119.600 0.046 0.000 2.374 485 M HA 0.227 4.714 4.480 0.012 0.000 0.264 485 M C 0.077 176.366 176.300 -0.020 0.000 1.067 485 M CA 0.579 55.884 55.300 0.009 0.000 1.103 485 M CB -0.929 31.667 32.600 -0.007 0.000 1.402 485 M HN 0.054 nan 8.290 nan 0.000 0.444 486 L N 1.601 122.814 121.223 -0.017 0.000 2.482 486 L HA 0.127 4.474 4.340 0.012 0.000 0.273 486 L C 1.709 178.411 176.870 -0.281 0.000 1.228 486 L CA 0.627 55.336 54.840 -0.218 0.000 0.827 486 L CB 0.339 42.117 42.059 -0.468 0.000 1.099 486 L HN 0.275 nan 8.230 nan 0.000 0.494 487 A N 0.999 123.615 122.820 -0.339 0.000 1.970 487 A HA -0.141 4.186 4.320 0.012 0.000 0.216 487 A C 1.894 179.322 177.584 -0.259 0.000 1.170 487 A CA 1.282 53.159 52.037 -0.267 0.000 0.645 487 A CB -1.032 17.818 19.000 -0.249 0.000 0.816 487 A HN 1.019 nan 8.150 nan 0.000 0.447 488 H N -3.284 115.612 119.070 -0.290 0.000 2.518 488 H HA -0.116 4.447 4.556 0.013 0.000 0.289 488 H C 1.606 176.726 175.328 -0.346 0.000 1.051 488 H CA 1.143 56.968 56.048 -0.372 0.000 1.280 488 H CB -0.721 28.738 29.762 -0.504 0.000 1.380 488 H HN 0.701 nan 8.280 nan 0.000 0.566 489 W N 1.326 122.536 121.300 -0.150 0.000 2.413 489 W HA -0.079 4.588 4.660 0.012 0.000 0.315 489 W C 2.490 178.934 176.519 -0.126 0.000 1.186 489 W CA 1.295 58.586 57.345 -0.091 0.000 1.326 489 W CB -0.417 28.951 29.460 -0.153 0.000 1.153 489 W HN 0.122 nan 8.180 nan 0.000 0.489 490 T N 0.361 114.965 114.554 0.083 0.000 2.746 490 T HA -0.207 4.151 4.350 0.012 0.000 0.267 490 T C 1.299 175.870 174.700 -0.215 0.000 1.039 490 T CA 1.666 63.718 62.100 -0.079 0.000 1.142 490 T CB -0.460 68.368 68.868 -0.067 0.000 0.866 490 T HN 0.231 nan 8.240 nan 0.000 0.444 491 E N 1.054 121.175 120.200 -0.131 0.000 2.204 491 E HA -0.071 4.287 4.350 0.012 0.000 0.195 491 E C 2.495 179.014 176.600 -0.135 0.000 0.990 491 E CA 0.875 57.195 56.400 -0.132 0.000 0.821 491 E CB -0.195 29.467 29.700 -0.063 0.000 0.750 491 E HN 0.527 nan 8.360 nan 0.000 0.477 492 A N 2.384 125.146 122.820 -0.097 0.000 1.872 492 A HA -0.206 4.122 4.320 0.012 0.000 0.214 492 A C 2.086 179.623 177.584 -0.079 0.000 1.187 492 A CA 1.639 53.630 52.037 -0.076 0.000 0.614 492 A CB -0.366 18.622 19.000 -0.020 0.000 0.826 492 A HN 0.215 nan 8.150 nan 0.000 0.442 493 K N -0.282 120.068 120.400 -0.083 0.000 2.288 493 K HA 0.050 4.378 4.320 0.012 0.000 0.201 493 K C 1.638 178.153 176.600 -0.142 0.000 1.048 493 K CA 1.371 57.621 56.287 -0.062 0.000 0.956 493 K CB -0.442 32.066 32.500 0.013 0.000 0.746 493 K HN 0.438 nan 8.250 nan 0.000 0.461 494 I N 0.995 121.321 120.570 -0.406 0.000 2.179 494 I HA -0.240 3.937 4.170 0.012 0.000 0.242 494 I C 2.148 178.160 176.117 -0.175 0.000 1.088 494 I CA 0.790 61.787 61.300 -0.504 0.000 1.357 494 I CB -0.145 37.431 38.000 -0.707 0.000 1.051 494 I HN 0.094 nan 8.210 nan 0.000 0.409 495 L N -0.204 120.962 121.223 -0.096 0.000 2.291 495 L HA -0.125 4.222 4.340 0.012 0.000 0.214 495 L C 2.037 178.888 176.870 -0.031 0.000 1.120 495 L CA 1.409 56.240 54.840 -0.015 0.000 0.799 495 L CB -0.339 41.684 42.059 -0.060 0.000 0.925 495 L HN 0.184 nan 8.230 nan 0.000 0.446 496 L N -1.333 119.866 121.223 -0.040 0.000 2.202 496 L HA -0.025 4.323 4.340 0.012 0.000 0.205 496 L C 1.817 178.676 176.870 -0.019 0.000 1.083 496 L CA 1.338 56.166 54.840 -0.019 0.000 0.790 496 L CB -0.469 41.590 42.059 -0.000 0.000 0.942 496 L HN 0.161 nan 8.230 nan 0.000 0.452 497 D N -0.274 120.119 120.400 -0.012 0.000 2.219 497 D HA -0.126 4.521 4.640 0.012 0.000 0.205 497 D C 1.406 177.653 176.300 -0.089 0.000 0.970 497 D CA 0.841 54.828 54.000 -0.022 0.000 0.851 497 D CB -0.215 40.612 40.800 0.045 0.000 0.943 497 D HN 0.341 nan 8.370 nan 0.000 0.488 498 N N 0.141 118.806 118.700 -0.059 0.000 2.398 498 N HA 0.062 4.809 4.740 0.012 0.000 0.188 498 N C 0.194 175.665 175.510 -0.066 0.000 1.122 498 N CA 0.073 53.093 53.050 -0.049 0.000 0.866 498 N CB 0.804 39.333 38.487 0.070 0.000 0.970 498 N HN 0.278 nan 8.380 nan 0.000 0.462 499 I N 0.898 121.411 120.570 -0.096 0.000 2.365 499 I HA 0.089 4.267 4.170 0.012 0.000 0.291 499 I C -0.106 175.931 176.117 -0.132 0.000 1.004 499 I CA -0.478 60.787 61.300 -0.059 0.000 1.311 499 I CB 0.653 38.618 38.000 -0.059 0.000 1.401 499 I HN -0.071 nan 8.210 nan 0.000 0.491 500 H N 5.648 124.738 119.070 0.034 0.000 2.458 500 H HA 0.581 5.144 4.556 0.012 0.000 0.330 500 H C -0.994 174.386 175.328 0.087 0.000 1.111 500 H CA -0.422 55.659 56.048 0.055 0.000 1.245 500 H CB 1.358 31.145 29.762 0.042 0.000 1.456 500 H HN 0.293 nan 8.280 nan 0.000 0.488 501 L N 5.370 126.712 121.223 0.197 0.000 2.362 501 L HA 0.400 4.748 4.340 0.012 0.000 0.275 501 L C -2.108 174.848 176.870 0.142 0.000 0.998 501 L CA -1.824 53.125 54.840 0.182 0.000 0.820 501 L CB 1.506 43.660 42.059 0.159 0.000 1.270 501 L HN 0.596 nan 8.230 nan 0.000 0.415 502 P HA 0.234 nan 4.420 nan 0.000 0.272 502 P C -0.600 176.742 177.300 0.070 0.000 1.240 502 P CA -0.141 63.011 63.100 0.087 0.000 0.791 502 P CB 0.505 32.250 31.700 0.074 0.000 0.978 503 N N -0.942 117.790 118.700 0.053 0.000 2.869 503 N HA -0.128 4.620 4.740 0.012 0.000 0.249 503 N C 0.707 176.242 175.510 0.041 0.000 1.104 503 N CA 1.483 54.557 53.050 0.041 0.000 0.760 503 N CB -2.230 36.279 38.487 0.036 0.000 1.108 503 N HN 0.955 nan 8.380 nan 0.000 0.555 504 G N -0.324 108.506 108.800 0.050 0.000 2.338 504 G HA2 -0.279 3.688 3.960 0.012 0.000 0.296 504 G HA3 -0.279 3.688 3.960 0.012 0.000 0.296 504 G C -0.136 174.790 174.900 0.044 0.000 1.040 504 G CA 0.728 45.856 45.100 0.048 0.000 1.004 504 G HN 0.480 nan 8.290 nan 0.000 0.509 505 L N -0.804 120.452 121.223 0.055 0.000 2.334 505 L HA 0.796 5.144 4.340 0.012 0.000 0.273 505 L C 0.554 177.452 176.870 0.047 0.000 1.013 505 L CA -1.521 53.347 54.840 0.047 0.000 0.816 505 L CB 2.118 44.207 42.059 0.049 0.000 1.278 505 L HN 0.188 nan 8.230 nan 0.000 0.431 506 V N -0.511 119.422 119.914 0.032 0.000 2.604 506 V HA 0.846 4.974 4.120 0.012 0.000 0.305 506 V C 0.188 176.301 176.094 0.032 0.000 1.043 506 V CA -0.818 61.495 62.300 0.021 0.000 0.888 506 V CB 1.338 33.164 31.823 0.004 0.000 0.995 506 V HN 0.837 nan 8.190 nan 0.000 0.429 507 A N 3.523 126.370 122.820 0.044 0.000 2.386 507 A HA 0.650 4.977 4.320 0.012 0.000 0.248 507 A C -0.065 177.545 177.584 0.044 0.000 1.082 507 A CA -0.195 51.878 52.037 0.061 0.000 0.789 507 A CB 0.810 19.878 19.000 0.113 0.000 1.025 507 A HN 1.066 nan 8.150 nan 0.000 0.490 508 Q N 0.940 120.766 119.800 0.043 0.000 2.359 508 Q HA 0.575 4.922 4.340 0.012 0.000 0.274 508 Q C -1.165 174.866 176.000 0.052 0.000 1.074 508 Q CA -0.716 55.111 55.803 0.040 0.000 0.810 508 Q CB 1.438 30.196 28.738 0.035 0.000 1.342 508 Q HN 0.760 nan 8.270 nan 0.000 0.427 509 L N 2.517 123.766 121.223 0.045 0.000 2.492 509 L HA 0.004 4.351 4.340 0.012 0.000 0.280 509 L C 0.111 177.049 176.870 0.112 0.000 1.240 509 L CA -0.029 54.853 54.840 0.070 0.000 0.831 509 L CB -0.040 42.039 42.059 0.033 0.000 1.100 509 L HN 0.683 nan 8.230 nan 0.000 0.505 510 Y N 1.377 121.689 120.300 0.021 0.000 2.721 510 Y HA 0.020 4.578 4.550 0.012 0.000 0.329 510 Y C 1.288 177.207 175.900 0.031 0.000 1.211 510 Y CA 0.176 58.304 58.100 0.047 0.000 1.512 510 Y CB 0.976 39.487 38.460 0.084 0.000 1.249 510 Y HN 0.708 nan 8.280 nan 0.000 0.549 511 G N 6.348 114.911 108.800 -0.395 0.000 2.703 511 G HA2 -0.319 3.648 3.960 0.012 0.000 0.222 511 G HA3 -0.319 3.648 3.960 0.012 0.000 0.222 511 G C -0.628 174.079 174.900 -0.322 0.000 1.183 511 G CA 1.105 45.998 45.100 -0.345 0.000 0.775 511 G HN 0.672 nan 8.290 nan 0.000 0.615 512 P HA 0.042 nan 4.420 nan 0.000 0.223 512 P C 1.214 178.434 177.300 -0.133 0.000 1.144 512 P CA 1.145 64.103 63.100 -0.237 0.000 0.783 512 P CB 0.095 31.672 31.700 -0.205 0.000 0.771 513 E N -1.764 118.368 120.200 -0.113 0.000 2.498 513 E HA 0.134 4.492 4.350 0.012 0.000 0.203 513 E C 1.745 178.202 176.600 -0.237 0.000 1.013 513 E CA -0.177 56.165 56.400 -0.097 0.000 0.927 513 E CB 0.077 29.848 29.700 0.119 0.000 1.012 513 E HN 0.163 nan 8.360 nan 0.000 0.482 514 R N 1.043 121.414 120.500 -0.215 0.000 2.120 514 R HA -0.100 4.247 4.340 0.012 0.000 0.234 514 R C 1.353 177.264 176.300 -0.649 0.000 1.123 514 R CA 1.141 57.054 56.100 -0.311 0.000 0.975 514 R CB 0.023 30.248 30.300 -0.125 0.000 0.866 514 R HN 0.130 nan 8.270 nan 0.000 0.446 515 D N 0.476 120.644 120.400 -0.386 0.000 2.263 515 D HA -0.131 4.517 4.640 0.012 0.000 0.208 515 D C 1.506 177.518 176.300 -0.481 0.000 0.971 515 D CA 0.908 54.738 54.000 -0.284 0.000 0.867 515 D CB 0.136 40.902 40.800 -0.057 0.000 0.929 515 D HN 0.096 nan 8.370 nan 0.000 0.492 516 K N 0.238 120.245 120.400 -0.654 0.000 2.148 516 K HA -0.043 4.284 4.320 0.012 0.000 0.204 516 K C 1.198 177.375 176.600 -0.706 0.000 1.050 516 K CA 0.706 56.479 56.287 -0.857 0.000 0.942 516 K CB -0.044 31.465 32.500 -1.652 0.000 0.724 516 K HN 0.278 nan 8.250 nan 0.000 0.446 517 T N -2.038 112.124 114.554 -0.653 0.000 2.991 517 T HA 0.477 4.835 4.350 0.012 0.000 0.303 517 T C -1.224 173.188 174.700 -0.480 0.000 1.015 517 T CA -0.817 61.043 62.100 -0.399 0.000 1.007 517 T CB 0.892 69.641 68.868 -0.197 0.000 1.034 517 T HN -0.053 nan 8.240 nan 0.000 0.446 518 Y N 2.573 122.838 120.300 -0.058 0.000 2.426 518 Y HA 0.591 5.148 4.550 0.013 0.000 0.325 518 Y C 0.710 176.598 175.900 -0.020 0.000 0.989 518 Y CA -0.544 57.531 58.100 -0.040 0.000 1.284 518 Y CB 1.770 40.197 38.460 -0.054 0.000 1.104 518 Y HN 1.082 nan 8.280 nan 0.000 0.481 519 T N -1.178 113.457 114.554 0.135 0.000 2.864 519 T HA 0.562 4.919 4.350 0.012 0.000 0.289 519 T C -0.086 174.629 174.700 0.026 0.000 1.082 519 T CA -1.319 60.816 62.100 0.059 0.000 1.009 519 T CB 1.202 70.081 68.868 0.019 0.000 1.234 519 T HN 0.367 nan 8.240 nan 0.000 0.526 520 M N 2.182 121.760 119.600 -0.037 0.000 2.286 520 M HA 0.029 4.517 4.480 0.012 0.000 0.365 520 M C 0.124 176.396 176.300 -0.046 0.000 1.443 520 M CA 0.264 55.535 55.300 -0.049 0.000 0.951 520 M CB -0.196 32.353 32.600 -0.085 0.000 1.961 520 M HN 0.603 nan 8.290 nan 0.000 0.468 521 D N 2.949 123.342 120.400 -0.012 0.000 2.346 521 D HA 0.207 4.855 4.640 0.012 0.000 0.260 521 D C 0.962 177.252 176.300 -0.017 0.000 1.252 521 D CA 1.067 55.068 54.000 0.002 0.000 0.895 521 D CB 0.541 41.352 40.800 0.019 0.000 1.097 521 D HN 0.927 nan 8.370 nan 0.000 0.489 522 G N 3.921 112.711 108.800 -0.017 0.000 2.140 522 G HA2 -0.256 3.711 3.960 0.012 0.000 0.211 522 G HA3 -0.256 3.711 3.960 0.012 0.000 0.211 522 G C 0.818 175.676 174.900 -0.070 0.000 1.013 522 G CA 0.350 45.433 45.100 -0.029 0.000 0.705 522 G HN 0.594 nan 8.290 nan 0.000 0.508 523 E N -0.886 119.221 120.200 -0.155 0.000 2.152 523 E HA -0.020 4.338 4.350 0.012 0.000 0.192 523 E C 1.415 177.832 176.600 -0.304 0.000 0.983 523 E CA 0.651 56.873 56.400 -0.297 0.000 0.818 523 E CB 0.006 29.399 29.700 -0.511 0.000 0.758 523 E HN 0.739 nan 8.360 nan 0.000 0.467 524 Y N 0.251 120.510 120.300 -0.069 0.000 2.470 524 Y HA 0.174 4.732 4.550 0.013 0.000 0.284 524 Y C 0.729 176.617 175.900 -0.020 0.000 1.188 524 Y CA -0.300 57.758 58.100 -0.070 0.000 1.269 524 Y CB 0.205 38.478 38.460 -0.312 0.000 1.094 524 Y HN -0.170 nan 8.280 nan 0.000 0.518 525 R N 1.187 121.721 120.500 0.057 0.000 2.442 525 R HA 0.298 4.645 4.340 0.012 0.000 0.291 525 R C -1.262 175.048 176.300 0.018 0.000 1.069 525 R CA -0.256 55.851 56.100 0.012 0.000 1.022 525 R CB 0.267 30.552 30.300 -0.026 0.000 0.976 525 R HN 0.080 nan 8.270 nan 0.000 0.443 526 L N 3.290 124.520 121.223 0.012 0.000 2.330 526 L HA 0.479 4.826 4.340 0.012 0.000 0.271 526 L C 0.333 177.220 176.870 0.028 0.000 1.013 526 L CA -0.572 54.262 54.840 -0.011 0.000 0.816 526 L CB 1.478 43.491 42.059 -0.076 0.000 1.287 526 L HN 0.598 nan 8.230 nan 0.000 0.435 527 R N 0.289 120.795 120.500 0.009 0.000 2.694 527 R HA 0.177 4.525 4.340 0.012 0.000 0.268 527 R C 1.204 177.525 176.300 0.036 0.000 1.061 527 R CA 0.697 56.811 56.100 0.024 0.000 1.133 527 R CB 0.699 31.003 30.300 0.007 0.000 1.020 527 R HN 0.845 nan 8.270 nan 0.000 0.475 528 G N 2.019 110.842 108.800 0.037 0.000 2.550 528 G HA2 -0.281 3.687 3.960 0.012 0.000 0.222 528 G HA3 -0.281 3.687 3.960 0.012 0.000 0.222 528 G C 0.857 175.781 174.900 0.039 0.000 1.113 528 G CA 0.776 45.898 45.100 0.036 0.000 0.748 528 G HN 0.700 nan 8.290 nan 0.000 0.585 529 E N 0.074 120.295 120.200 0.036 0.000 2.166 529 E HA 0.016 4.374 4.350 0.012 0.000 0.192 529 E C 2.409 179.041 176.600 0.053 0.000 0.967 529 E CA 0.365 56.790 56.400 0.042 0.000 0.840 529 E CB -0.035 29.687 29.700 0.037 0.000 0.795 529 E HN 0.593 nan 8.360 nan 0.000 0.470 530 E N 1.035 121.257 120.200 0.037 0.000 2.072 530 E HA -0.139 4.219 4.350 0.012 0.000 0.191 530 E C 2.202 178.848 176.600 0.077 0.000 0.985 530 E CA 0.663 57.079 56.400 0.027 0.000 0.801 530 E CB -0.049 29.628 29.700 -0.039 0.000 0.750 530 E HN 0.004 nan 8.360 nan 0.000 0.452 531 R N 1.513 122.064 120.500 0.085 0.000 2.081 531 R HA -0.127 4.220 4.340 0.012 0.000 0.235 531 R C 2.211 178.630 176.300 0.199 0.000 1.131 531 R CA 1.444 57.640 56.100 0.161 0.000 0.960 531 R CB 0.056 30.437 30.300 0.135 0.000 0.856 531 R HN -0.082 nan 8.270 nan 0.000 0.436 532 K N -0.918 119.553 120.400 0.119 0.000 2.155 532 K HA -0.057 4.270 4.320 0.012 0.000 0.203 532 K C 1.502 178.141 176.600 0.066 0.000 1.052 532 K CA 1.672 58.006 56.287 0.078 0.000 0.948 532 K CB 0.194 32.722 32.500 0.045 0.000 0.728 532 K HN 0.194 nan 8.250 nan 0.000 0.448 533 T N 0.483 115.102 114.554 0.108 0.000 2.857 533 T HA -0.108 4.250 4.350 0.012 0.000 0.266 533 T C 1.297 176.108 174.700 0.185 0.000 1.048 533 T CA 0.950 63.136 62.100 0.144 0.000 1.139 533 T CB -0.279 68.695 68.868 0.177 0.000 0.874 533 T HN 0.274 nan 8.240 nan 0.000 0.455 534 F N 1.723 121.696 119.950 0.039 0.000 2.171 534 F HA 0.014 4.548 4.527 0.012 0.000 0.300 534 F C 1.831 177.658 175.800 0.045 0.000 1.090 534 F CA 0.647 58.663 58.000 0.028 0.000 1.293 534 F CB -0.478 38.521 39.000 -0.001 0.000 1.013 534 F HN 0.025 nan 8.300 nan 0.000 0.486 535 L N 0.392 121.537 121.223 -0.131 0.000 2.141 535 L HA -0.107 4.241 4.340 0.012 0.000 0.209 535 L C 2.118 178.884 176.870 -0.173 0.000 1.094 535 L CA 1.541 56.255 54.840 -0.210 0.000 0.763 535 L CB -0.629 41.411 42.059 -0.031 0.000 0.908 535 L HN 0.017 nan 8.230 nan 0.000 0.437 536 E N -0.683 119.436 120.200 -0.135 0.000 2.299 536 E HA -0.037 4.321 4.350 0.012 0.000 0.193 536 E C 2.219 178.815 176.600 -0.006 0.000 0.998 536 E CA 0.664 56.947 56.400 -0.194 0.000 0.851 536 E CB -0.084 29.302 29.700 -0.523 0.000 0.795 536 E HN 0.489 nan 8.360 nan 0.000 0.492 537 L N 0.644 121.915 121.223 0.081 0.000 2.240 537 L HA 0.001 4.349 4.340 0.012 0.000 0.211 537 L C 2.310 179.166 176.870 -0.022 0.000 1.106 537 L CA 0.618 55.552 54.840 0.157 0.000 0.793 537 L CB -0.281 41.867 42.059 0.148 0.000 0.927 537 L HN 0.147 nan 8.230 nan 0.000 0.446 538 I N -3.991 116.487 120.570 -0.154 0.000 3.035 538 I HA -0.034 4.144 4.170 0.012 0.000 0.271 538 I C 2.364 178.433 176.117 -0.081 0.000 1.190 538 I CA 0.746 61.958 61.300 -0.146 0.000 1.472 538 I CB -0.120 37.731 38.000 -0.248 0.000 1.116 538 I HN 0.028 nan 8.210 nan 0.000 0.443 539 K N 1.401 121.755 120.400 -0.077 0.000 2.102 539 K HA 0.032 4.359 4.320 0.012 0.000 0.206 539 K C 1.960 178.548 176.600 -0.020 0.000 1.031 539 K CA 1.593 57.835 56.287 -0.076 0.000 0.962 539 K CB 0.028 32.478 32.500 -0.084 0.000 0.811 539 K HN 0.207 nan 8.250 nan 0.000 0.453 540 T N 0.353 114.924 114.554 0.028 0.000 2.851 540 T HA 0.049 4.406 4.350 0.012 0.000 0.262 540 T C 1.701 176.548 174.700 0.245 0.000 1.043 540 T CA 1.083 63.257 62.100 0.123 0.000 1.140 540 T CB 0.034 68.967 68.868 0.108 0.000 0.872 540 T HN 0.327 nan 8.240 nan 0.000 0.446 541 A N 0.707 123.677 122.820 0.250 0.000 2.195 541 A HA 0.306 4.634 4.320 0.012 0.000 0.210 541 A C 0.792 178.440 177.584 0.106 0.000 1.165 541 A CA 0.494 52.666 52.037 0.225 0.000 0.806 541 A CB -0.216 18.804 19.000 0.034 0.000 0.847 541 A HN 0.408 nan 8.150 nan 0.000 0.482 542 D N -1.554 118.852 120.400 0.010 0.000 2.705 542 D HA -0.127 4.520 4.640 0.012 0.000 0.240 542 D C -0.835 175.410 176.300 -0.091 0.000 1.137 542 D CA 0.388 54.328 54.000 -0.100 0.000 0.677 542 D CB -1.541 39.101 40.800 -0.264 0.000 1.049 542 D HN 0.191 nan 8.370 nan 0.000 0.427 543 L N 0.753 121.937 121.223 -0.065 0.000 2.343 543 L HA 0.606 4.954 4.340 0.012 0.000 0.275 543 L C -1.564 175.299 176.870 -0.011 0.000 1.056 543 L CA -1.681 53.144 54.840 -0.025 0.000 0.804 543 L CB 0.851 42.900 42.059 -0.018 0.000 1.203 543 L HN -0.014 nan 8.230 nan 0.000 0.440 544 P HA 0.028 nan 4.420 nan 0.000 0.268 544 P C 0.876 178.225 177.300 0.082 0.000 1.208 544 P CA -0.256 62.868 63.100 0.040 0.000 0.777 544 P CB 0.552 32.294 31.700 0.069 0.000 0.875 545 V N 1.191 121.152 119.914 0.079 0.000 2.332 545 V HA -0.220 3.908 4.120 0.012 0.000 0.248 545 V C 1.845 178.061 176.094 0.203 0.000 1.055 545 V CA 1.737 64.120 62.300 0.137 0.000 1.038 545 V CB -1.270 30.603 31.823 0.083 0.000 0.651 545 V HN 0.720 nan 8.190 nan 0.000 0.450 546 W N 0.322 121.608 121.300 -0.024 0.000 2.355 546 W HA -0.207 4.460 4.660 0.012 0.000 0.309 546 W C 2.201 178.699 176.519 -0.035 0.000 1.206 546 W CA 1.844 59.155 57.345 -0.057 0.000 1.284 546 W CB -0.332 29.075 29.460 -0.088 0.000 1.145 546 W HN 0.202 nan 8.180 nan 0.000 0.502 547 L N 1.389 122.716 121.223 0.174 0.000 2.046 547 L HA -0.032 4.315 4.340 0.012 0.000 0.208 547 L C 2.470 179.215 176.870 -0.209 0.000 1.077 547 L CA 2.615 57.424 54.840 -0.053 0.000 0.747 547 L CB -1.338 40.849 42.059 0.213 0.000 0.896 547 L HN 0.077 nan 8.230 nan 0.000 0.432 548 A N -1.629 121.181 122.820 -0.017 0.000 1.969 548 A HA -0.271 4.057 4.320 0.012 0.000 0.218 548 A C 2.260 179.922 177.584 0.129 0.000 1.169 548 A CA 1.675 53.746 52.037 0.057 0.000 0.635 548 A CB -1.067 17.982 19.000 0.083 0.000 0.810 548 A HN 0.626 nan 8.150 nan 0.000 0.445 549 Y N 0.605 120.871 120.300 -0.057 0.000 2.163 549 Y HA -0.157 4.400 4.550 0.013 0.000 0.288 549 Y C 2.225 177.805 175.900 -0.534 0.000 1.136 549 Y CA 2.067 59.979 58.100 -0.313 0.000 1.147 549 Y CB -0.028 38.174 38.460 -0.430 0.000 0.987 549 Y HN 0.097 nan 8.280 nan 0.000 0.509 550 K N -0.123 119.803 120.400 -0.790 0.000 2.103 550 K HA -0.150 4.177 4.320 0.012 0.000 0.207 550 K C 2.091 177.891 176.600 -1.334 0.000 1.048 550 K CA 1.524 57.002 56.287 -1.349 0.000 0.930 550 K CB -0.808 30.400 32.500 -2.154 0.000 0.716 550 K HN 0.317 nan 8.250 nan 0.000 0.444 551 V N 1.207 120.539 119.914 -0.970 0.000 2.270 551 V HA -0.215 3.912 4.120 0.012 0.000 0.245 551 V C 2.496 178.388 176.094 -0.337 0.000 1.043 551 V CA 2.024 63.951 62.300 -0.622 0.000 1.014 551 V CB -0.800 30.723 31.823 -0.500 0.000 0.645 551 V HN 0.295 nan 8.190 nan 0.000 0.447 552 A N -0.550 122.102 122.820 -0.279 0.000 1.898 552 A HA -0.216 4.112 4.320 0.012 0.000 0.216 552 A C 2.558 179.958 177.584 -0.306 0.000 1.181 552 A CA 2.078 54.005 52.037 -0.182 0.000 0.620 552 A CB -0.854 18.112 19.000 -0.058 0.000 0.819 552 A HN 0.488 nan 8.150 nan 0.000 0.442 553 S N 0.483 115.836 115.700 -0.579 0.000 2.368 553 S HA -0.254 4.223 4.470 0.012 0.000 0.226 553 S C 1.868 176.288 174.600 -0.299 0.000 1.044 553 S CA 1.900 59.735 58.200 -0.609 0.000 1.062 553 S CB -0.748 61.878 63.200 -0.958 0.000 0.931 553 S HN 0.712 nan 8.310 nan 0.000 0.440 554 N N 0.324 118.891 118.700 -0.222 0.000 2.453 554 N HA 0.007 4.755 4.740 0.012 0.000 0.183 554 N C 1.153 176.651 175.510 -0.020 0.000 1.041 554 N CA 0.854 53.874 53.050 -0.049 0.000 0.900 554 N CB -0.065 38.485 38.487 0.105 0.000 0.961 554 N HN 0.670 nan 8.380 nan 0.000 0.443 555 G N 1.017 109.790 108.800 -0.045 0.000 2.141 555 G HA2 -0.186 3.781 3.960 0.012 0.000 0.164 555 G HA3 -0.186 3.781 3.960 0.012 0.000 0.164 555 G C -0.069 174.852 174.900 0.036 0.000 1.009 555 G CA -0.483 44.613 45.100 -0.007 0.000 0.677 555 G HN 0.166 nan 8.290 nan 0.000 0.508 556 I N 1.459 122.057 120.570 0.047 0.000 2.529 556 I HA 0.277 4.454 4.170 0.012 0.000 0.284 556 I C 0.872 177.060 176.117 0.119 0.000 1.082 556 I CA -0.663 60.699 61.300 0.103 0.000 1.406 556 I CB 0.766 38.849 38.000 0.138 0.000 1.405 556 I HN 0.061 nan 8.210 nan 0.000 0.548 557 Q N 3.909 123.793 119.800 0.141 0.000 2.318 557 Q HA 0.048 4.396 4.340 0.012 0.000 0.222 557 Q C 0.553 176.687 176.000 0.224 0.000 1.003 557 Q CA -0.299 55.602 55.803 0.164 0.000 0.936 557 Q CB 0.654 29.472 28.738 0.134 0.000 1.204 557 Q HN 0.662 nan 8.270 nan 0.000 0.524 558 Y N 1.246 121.625 120.300 0.132 0.000 2.352 558 Y HA -0.202 4.355 4.550 0.012 0.000 0.292 558 Y C 1.325 177.318 175.900 0.156 0.000 1.136 558 Y CA 1.626 59.827 58.100 0.169 0.000 1.227 558 Y CB 0.374 38.919 38.460 0.141 0.000 0.991 558 Y HN 0.562 nan 8.280 nan 0.000 0.545 559 N N 0.123 118.898 118.700 0.125 0.000 2.333 559 N HA -0.086 4.661 4.740 0.012 0.000 0.178 559 N C -0.143 175.349 175.510 -0.030 0.000 1.018 559 N CA 0.919 53.980 53.050 0.018 0.000 0.882 559 N CB -0.472 38.055 38.487 0.068 0.000 0.984 559 N HN 0.265 nan 8.380 nan 0.000 0.434 560 D N 1.130 121.556 120.400 0.044 0.000 2.363 560 D HA 0.029 4.676 4.640 0.012 0.000 0.263 560 D C 0.560 176.904 176.300 0.072 0.000 1.258 560 D CA 0.149 54.186 54.000 0.062 0.000 0.907 560 D CB 0.438 41.311 40.800 0.122 0.000 1.107 560 D HN -0.080 nan 8.370 nan 0.000 0.495 561 R N 3.659 124.118 120.500 -0.069 0.000 2.362 561 R HA 0.048 4.395 4.340 0.012 0.000 0.227 561 R C 1.579 177.726 176.300 -0.255 0.000 0.905 561 R CA -0.153 55.792 56.100 -0.258 0.000 1.067 561 R CB 0.040 30.120 30.300 -0.366 0.000 1.078 561 R HN 0.475 nan 8.270 nan 0.000 0.516 562 K N 1.239 121.619 120.400 -0.032 0.000 2.113 562 K HA -0.151 4.177 4.320 0.012 0.000 0.208 562 K C 1.789 178.412 176.600 0.037 0.000 1.047 562 K CA 1.627 57.937 56.287 0.038 0.000 0.928 562 K CB -0.103 32.443 32.500 0.075 0.000 0.716 562 K HN 0.335 nan 8.250 nan 0.000 0.446 563 W N -0.148 121.185 121.300 0.055 0.000 2.387 563 W HA -0.191 4.477 4.660 0.012 0.000 0.272 563 W C 1.113 177.614 176.519 -0.029 0.000 1.224 563 W CA 0.364 57.713 57.345 0.007 0.000 1.210 563 W CB -1.323 28.184 29.460 0.079 0.000 1.125 563 W HN 0.045 nan 8.180 nan 0.000 0.572 564 C N 0.046 118.843 119.300 -0.837 0.000 2.472 564 C HA 0.003 4.470 4.460 0.012 0.000 0.278 564 C C 1.853 176.299 174.990 -0.907 0.000 1.447 564 C CA 0.567 58.952 59.018 -1.056 0.000 1.773 564 C CB -1.918 24.938 27.740 -1.474 0.000 1.793 564 C HN 0.298 nan 8.230 nan 0.000 0.544 565 F N 0.050 119.889 119.950 -0.185 0.000 2.880 565 F HA 0.147 4.682 4.527 0.013 0.000 0.346 565 F C 1.367 177.127 175.800 -0.066 0.000 1.054 565 F CA 0.095 58.028 58.000 -0.113 0.000 1.151 565 F CB 0.029 38.949 39.000 -0.134 0.000 1.066 565 F HN 0.146 nan 8.300 nan 0.000 0.566 566 D N -0.120 120.330 120.400 0.084 0.000 2.402 566 D HA 0.184 4.831 4.640 0.012 0.000 0.216 566 D C 1.052 177.352 176.300 0.001 0.000 1.128 566 D CA 0.115 54.143 54.000 0.048 0.000 0.833 566 D CB -0.391 40.438 40.800 0.048 0.000 0.971 566 D HN 0.106 nan 8.370 nan 0.000 0.503 567 G N 0.962 109.752 108.800 -0.017 0.000 2.683 567 G HA2 0.364 4.331 3.960 0.012 0.000 0.260 567 G HA3 0.364 4.331 3.960 0.012 0.000 0.260 567 G C -2.320 172.559 174.900 -0.036 0.000 1.238 567 G CA -0.891 44.175 45.100 -0.058 0.000 0.934 567 G HN 0.065 nan 8.290 nan 0.000 0.534 568 P HA 0.131 nan 4.420 nan 0.000 0.269 568 P C 0.856 178.153 177.300 -0.005 0.000 1.215 568 P CA -0.272 62.817 63.100 -0.018 0.000 0.780 568 P CB 0.601 32.293 31.700 -0.013 0.000 0.898 569 R N 0.553 121.053 120.500 0.000 0.000 2.193 569 R HA -0.085 4.262 4.340 0.012 0.000 0.229 569 R C 1.330 177.631 176.300 0.002 0.000 1.110 569 R CA 1.805 57.907 56.100 0.003 0.000 0.988 569 R CB -1.002 29.301 30.300 0.005 0.000 0.871 569 R HN 0.460 nan 8.270 nan 0.000 0.458 570 S N 0.256 115.958 115.700 0.004 0.000 2.496 570 S HA 0.060 4.537 4.470 0.012 0.000 0.224 570 S C 0.902 175.501 174.600 -0.002 0.000 0.996 570 S CA 0.175 58.378 58.200 0.004 0.000 0.927 570 S CB -0.010 63.198 63.200 0.013 0.000 0.774 570 S HN 0.279 nan 8.310 nan 0.000 0.524 571 N N 1.392 120.092 118.700 0.001 0.000 2.362 571 N HA 0.335 5.083 4.740 0.012 0.000 0.204 571 N C -0.101 175.393 175.510 -0.027 0.000 1.166 571 N CA -0.115 52.937 53.050 0.002 0.000 0.831 571 N CB -0.210 38.295 38.487 0.029 0.000 1.008 571 N HN 0.576 nan 8.380 nan 0.000 0.472 572 I N 1.052 121.601 120.570 -0.035 0.000 2.648 572 I HA 0.048 4.225 4.170 0.012 0.000 0.284 572 I C -0.025 176.035 176.117 -0.095 0.000 1.153 572 I CA -0.263 61.011 61.300 -0.043 0.000 1.426 572 I CB 0.629 38.617 38.000 -0.020 0.000 1.381 572 I HN -0.064 nan 8.210 nan 0.000 0.571 573 I N 7.546 128.060 120.570 -0.095 0.000 2.581 573 I HA 0.196 4.373 4.170 0.012 0.000 0.288 573 I C -0.387 175.673 176.117 -0.095 0.000 1.047 573 I CA -0.286 60.919 61.300 -0.158 0.000 1.374 573 I CB 1.280 39.229 38.000 -0.085 0.000 1.423 573 I HN 0.462 nan 8.210 nan 0.000 0.549 574 L N 5.728 126.878 121.223 -0.121 0.000 2.362 574 L HA 0.545 4.893 4.340 0.012 0.000 0.271 574 L C -0.769 176.103 176.870 0.005 0.000 1.002 574 L CA -0.076 54.737 54.840 -0.046 0.000 0.818 574 L CB 1.783 43.810 42.059 -0.054 0.000 1.298 574 L HN 0.629 nan 8.230 nan 0.000 0.420 575 E N 3.251 123.471 120.200 0.034 0.000 2.291 575 E HA 0.245 4.603 4.350 0.012 0.000 0.276 575 E C -1.270 175.362 176.600 0.053 0.000 0.896 575 E CA -0.384 56.055 56.400 0.065 0.000 0.774 575 E CB 1.075 30.834 29.700 0.098 0.000 1.227 575 E HN 0.761 nan 8.360 nan 0.000 0.413 576 D N 3.723 124.152 120.400 0.049 0.000 2.945 576 D HA -0.212 4.436 4.640 0.012 0.000 0.225 576 D C -0.213 176.101 176.300 0.024 0.000 1.158 576 D CA 1.091 55.111 54.000 0.034 0.000 0.805 576 D CB -1.042 39.777 40.800 0.031 0.000 1.098 576 D HN 0.764 nan 8.370 nan 0.000 0.426 577 N N -1.099 117.614 118.700 0.022 0.000 2.800 577 N HA -0.187 4.560 4.740 0.012 0.000 0.250 577 N C -0.437 175.081 175.510 0.013 0.000 1.078 577 N CA 1.267 54.325 53.050 0.015 0.000 0.804 577 N CB -0.922 37.572 38.487 0.013 0.000 1.135 577 N HN 0.472 nan 8.380 nan 0.000 0.565 578 N N 0.565 119.276 118.700 0.018 0.000 2.453 578 N HA 0.345 5.093 4.740 0.012 0.000 0.290 578 N C 0.211 175.733 175.510 0.020 0.000 1.250 578 N CA -0.485 52.576 53.050 0.018 0.000 0.815 578 N CB 1.023 39.523 38.487 0.022 0.000 1.381 578 N HN 0.091 nan 8.380 nan 0.000 0.510 579 E N -0.296 119.915 120.200 0.020 0.000 2.421 579 E HA 0.374 4.731 4.350 0.012 0.000 0.253 579 E C -0.792 175.831 176.600 0.037 0.000 1.277 579 E CA -0.392 56.022 56.400 0.023 0.000 0.968 579 E CB 0.963 30.677 29.700 0.023 0.000 1.040 579 E HN 0.167 nan 8.360 nan 0.000 0.512 580 V N 0.999 120.941 119.914 0.048 0.000 2.697 580 V HA 0.311 4.439 4.120 0.012 0.000 0.300 580 V C -1.411 174.737 176.094 0.089 0.000 1.115 580 V CA -0.270 62.069 62.300 0.066 0.000 0.912 580 V CB 1.851 33.720 31.823 0.076 0.000 1.024 580 V HN 0.711 nan 8.190 nan 0.000 0.431 594 P HA 0.308 nan 4.420 nan 0.000 0.278 594 P C 0.132 177.499 177.300 0.111 0.000 1.258 594 P CA -0.019 63.159 63.100 0.131 0.000 0.811 594 P CB 0.788 32.735 31.700 0.411 0.000 1.063 595 R N -0.067 120.470 120.500 0.062 0.000 2.090 595 R HA 0.031 4.379 4.340 0.012 0.000 0.228 595 R C 0.376 176.365 176.300 -0.517 0.000 1.110 595 R CA 1.376 57.189 56.100 -0.479 0.000 0.973 595 R CB 0.034 29.598 30.300 -1.226 0.000 0.869 595 R HN 0.597 nan 8.270 nan 0.000 0.440 596 W N 0.518 121.991 121.300 0.289 0.000 2.844 596 W HA 0.447 5.114 4.660 0.013 0.000 0.340 596 W C -0.825 175.925 176.519 0.385 0.000 1.093 596 W CA -0.925 56.598 57.345 0.297 0.000 1.212 596 W CB 0.834 30.398 29.460 0.174 0.000 1.422 596 W HN -0.133 nan 8.180 nan 0.000 0.515 597 L N 2.332 123.925 121.223 0.617 0.000 2.317 597 L HA 0.423 4.771 4.340 0.012 0.000 0.281 597 L C -0.220 176.903 176.870 0.422 0.000 1.024 597 L CA -0.213 54.917 54.840 0.484 0.000 0.810 597 L CB 1.534 43.805 42.059 0.354 0.000 1.240 597 L HN 0.274 nan 8.230 nan 0.000 0.427 598 D N 1.852 122.442 120.400 0.317 0.000 2.479 598 D HA 0.278 4.925 4.640 0.012 0.000 0.246 598 D C 0.475 176.553 176.300 -0.370 0.000 1.336 598 D CA -0.302 53.714 54.000 0.027 0.000 0.967 598 D CB 2.285 43.186 40.800 0.168 0.000 1.275 598 D HN 0.592 nan 8.370 nan 0.000 0.577 599 A N 4.094 126.565 122.820 -0.581 0.000 2.024 599 A HA -0.190 4.138 4.320 0.012 0.000 0.220 599 A C 1.934 179.049 177.584 -0.780 0.000 1.164 599 A CA 1.151 52.516 52.037 -1.120 0.000 0.643 599 A CB -0.168 18.517 19.000 -0.525 0.000 0.806 599 A HN 0.628 nan 8.150 nan 0.000 0.451 600 R N -0.625 119.620 120.500 -0.425 0.000 2.193 600 R HA -0.098 4.249 4.340 0.012 0.000 0.229 600 R C 1.713 177.874 176.300 -0.231 0.000 1.110 600 R CA 1.483 57.427 56.100 -0.261 0.000 0.988 600 R CB -0.378 29.822 30.300 -0.166 0.000 0.871 600 R HN 0.632 nan 8.270 nan 0.000 0.458 601 V N -2.161 117.570 119.914 -0.304 0.000 3.621 601 V HA 0.093 4.220 4.120 0.012 0.000 0.285 601 V C 0.808 176.804 176.094 -0.163 0.000 1.346 601 V CA 0.251 62.415 62.300 -0.226 0.000 1.104 601 V CB -0.221 31.392 31.823 -0.351 0.000 0.913 601 V HN 0.364 nan 8.190 nan 0.000 0.432 602 Y N -2.494 117.725 120.300 -0.134 0.000 2.540 602 Y HA 0.567 5.125 4.550 0.013 0.000 0.257 602 Y C 1.886 177.778 175.900 -0.014 0.000 1.090 602 Y CA 0.166 58.224 58.100 -0.071 0.000 1.242 602 Y CB -0.334 38.069 38.460 -0.095 0.000 1.325 602 Y HN -0.027 nan 8.280 nan 0.000 0.544 603 S N 0.707 116.370 115.700 -0.061 0.000 2.355 603 S HA -0.086 4.392 4.470 0.012 0.000 0.222 603 S C 0.354 174.996 174.600 0.070 0.000 1.031 603 S CA 1.556 59.768 58.200 0.020 0.000 0.993 603 S CB -0.539 62.598 63.200 -0.104 0.000 0.859 603 S HN 0.809 nan 8.310 nan 0.000 0.453 604 D N -1.883 118.547 120.400 0.050 0.000 2.340 604 D HA 0.349 4.997 4.640 0.012 0.000 0.243 604 D C 0.554 176.929 176.300 0.126 0.000 0.988 604 D CA -0.729 53.322 54.000 0.084 0.000 0.959 604 D CB 0.501 41.333 40.800 0.054 0.000 1.226 604 D HN 0.065 nan 8.370 nan 0.000 0.509 605 H N -0.347 118.760 119.070 0.063 0.000 2.353 605 H HA -0.169 4.395 4.556 0.012 0.000 0.300 605 H C 1.806 177.193 175.328 0.098 0.000 1.090 605 H CA 2.366 58.461 56.048 0.078 0.000 1.327 605 H CB 0.259 30.056 29.762 0.060 0.000 1.383 605 H HN 0.573 nan 8.280 nan 0.000 0.508 606 Q N 0.089 119.904 119.800 0.025 0.000 1.993 606 Q HA -0.173 4.174 4.340 0.012 0.000 0.202 606 Q C 2.469 178.497 176.000 0.047 0.000 0.984 606 Q CA 2.402 58.209 55.803 0.006 0.000 0.837 606 Q CB -0.128 28.649 28.738 0.064 0.000 0.902 606 Q HN 0.652 nan 8.270 nan 0.000 0.423 607 S N 0.619 116.355 115.700 0.059 0.000 2.383 607 S HA -0.160 4.317 4.470 0.012 0.000 0.227 607 S C 1.937 176.645 174.600 0.179 0.000 1.026 607 S CA 1.053 59.311 58.200 0.097 0.000 0.981 607 S CB -0.538 62.675 63.200 0.022 0.000 0.818 607 S HN 0.422 nan 8.310 nan 0.000 0.472 608 L N 1.529 122.830 121.223 0.130 0.000 2.131 608 L HA 0.146 4.494 4.340 0.012 0.000 0.210 608 L C 2.325 179.312 176.870 0.194 0.000 1.092 608 L CA 1.668 56.620 54.840 0.186 0.000 0.759 608 L CB -0.684 41.465 42.059 0.150 0.000 0.903 608 L HN 0.234 nan 8.230 nan 0.000 0.435 609 K N -1.584 118.863 120.400 0.078 0.000 2.103 609 K HA -0.205 4.122 4.320 0.012 0.000 0.204 609 K C 2.011 178.702 176.600 0.152 0.000 1.052 609 K CA 1.237 57.549 56.287 0.043 0.000 0.945 609 K CB -0.359 32.084 32.500 -0.096 0.000 0.722 609 K HN 0.512 nan 8.250 nan 0.000 0.443 610 W N 0.278 121.623 121.300 0.074 0.000 2.436 610 W HA -0.177 4.491 4.660 0.013 0.000 0.284 610 W C 1.478 178.117 176.519 0.200 0.000 1.225 610 W CA 0.880 58.293 57.345 0.112 0.000 1.271 610 W CB -0.265 29.251 29.460 0.092 0.000 1.114 610 W HN 0.037 nan 8.180 nan 0.000 0.559 611 F N 2.434 122.572 119.950 0.313 0.000 2.186 611 F HA -0.210 4.324 4.527 0.012 0.000 0.299 611 F C 2.502 178.424 175.800 0.203 0.000 1.090 611 F CA 2.436 60.610 58.000 0.289 0.000 1.307 611 F CB -0.229 38.914 39.000 0.238 0.000 1.019 611 F HN -0.192 nan 8.300 nan 0.000 0.489 612 K N -1.029 119.446 120.400 0.125 0.000 2.365 612 K HA -0.050 4.278 4.320 0.012 0.000 0.197 612 K C 1.129 177.684 176.600 -0.074 0.000 1.042 612 K CA 1.161 57.438 56.287 -0.017 0.000 0.987 612 K CB -0.252 32.288 32.500 0.065 0.000 0.779 612 K HN 0.183 nan 8.250 nan 0.000 0.484 613 D N 1.140 121.487 120.400 -0.088 0.000 2.120 613 D HA -0.096 4.551 4.640 0.012 0.000 0.202 613 D C 1.579 177.776 176.300 -0.172 0.000 0.972 613 D CA 0.743 54.639 54.000 -0.174 0.000 0.837 613 D CB -0.214 40.396 40.800 -0.317 0.000 0.989 613 D HN 0.206 nan 8.370 nan 0.000 0.469 614 F N 1.954 121.733 119.950 -0.284 0.000 2.161 614 F HA -0.152 4.383 4.527 0.013 0.000 0.300 614 F C 2.063 177.693 175.800 -0.283 0.000 1.089 614 F CA 1.482 59.341 58.000 -0.234 0.000 1.282 614 F CB -0.176 38.756 39.000 -0.114 0.000 1.010 614 F HN -0.085 nan 8.300 nan 0.000 0.485 615 A N 0.462 122.986 122.820 -0.493 0.000 1.873 615 A HA 0.030 4.358 4.320 0.012 0.000 0.215 615 A C 2.436 179.848 177.584 -0.287 0.000 1.186 615 A CA 1.715 53.425 52.037 -0.544 0.000 0.616 615 A CB -1.553 17.157 19.000 -0.484 0.000 0.823 615 A HN 0.496 nan 8.150 nan 0.000 0.442 616 A N -1.277 121.429 122.820 -0.189 0.000 1.872 616 A HA 0.426 4.754 4.320 0.012 0.000 0.214 616 A C 1.282 178.759 177.584 -0.179 0.000 1.187 616 A CA 1.606 53.558 52.037 -0.142 0.000 0.614 616 A CB -0.612 18.325 19.000 -0.105 0.000 0.826 616 A HN 1.721 nan 8.150 nan 0.000 0.442 617 G N -1.548 107.132 108.800 -0.199 0.000 2.387 617 G HA2 0.486 4.454 3.960 0.012 0.000 0.309 617 G HA3 0.486 4.454 3.960 0.012 0.000 0.309 617 G C -1.054 173.756 174.900 -0.149 0.000 1.641 617 G CA 0.034 45.030 45.100 -0.174 0.000 0.904 617 G HN 0.412 nan 8.290 nan 0.000 0.661 618 K N 0.000 120.327 120.400 -0.122 0.000 2.780 618 K HA 0.000 4.327 4.320 0.012 0.000 0.191 618 K CA 0.000 56.261 56.287 -0.043 0.000 0.838 618 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 618 K HN 0.000 nan 8.250 nan 0.000 0.543