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 1q15_1_A DATA FIRST_RESID 2 DATA SEQUENCE SNSFCVVYKG SDTDINNIQR DFDGKGEALS NGYLFIEQNG HYQKCEMERG DATA SEQUENCE TAYLIGSLYN RTFLIGLAGV WEGEAYLAND AELLALLFTR LGANALALAE DATA SEQUENCE GDFCFFIDEP NGELTVITES RGFSPVHVVQ GKKAWMTNSL KLVTAAEGEG DATA SEQUENCE ALWFEEEALV CQSLMRADTY TPVKNAQRLK PGAVHVLTHD SEGYSFVESR DATA SEQUENCE TLTTPASNQL LALPREPLLA LIDRYLNAPL EDLAPRFDTV GIPLSGGLDS DATA SEQUENCE SLVTALASRH FKKLNTYSIG TELSNEFEFS QQVADALGTH HQMKILSETE DATA SEQUENCE VINGIIESIY YNEIFDGLSA EIQSGLFNVY RQAQGQVSCM LTGYGSDLLF DATA SEQUENCE GGILKPGAQY DNPNQLLAEQ VYRTRWTGEF ATHGASCYGI DIRHPFWSHS DATA SEQUENCE LISLCHALHP DYKIFDNEVK NILREYADSL QLLPKDIVWR XXXXXXXXXS DATA SEQUENCE VNQAFANVLG STVDNYQTKS RFTYRVYQAF LRGRLSITDV TPSQLKDLIK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.784 174.600 0.307 0.000 1.055 2 S CA 0.000 58.317 58.200 0.196 0.000 1.107 2 S CB 0.000 63.292 63.200 0.153 0.000 0.593 3 N N 1.779 120.589 118.700 0.183 0.000 2.416 3 N HA 0.317 5.057 4.740 -0.000 0.000 0.246 3 N C 0.044 175.675 175.510 0.201 0.000 1.260 3 N CA 0.315 53.461 53.050 0.160 0.000 0.897 3 N CB 0.506 39.022 38.487 0.048 0.000 1.110 3 N HN 0.595 nan 8.380 nan 0.000 0.439 4 S N 0.863 116.588 115.700 0.042 0.000 2.655 4 S HA 0.549 5.019 4.470 -0.000 0.000 0.265 4 S C -0.481 174.220 174.600 0.168 0.000 1.240 4 S CA -0.505 57.704 58.200 0.014 0.000 0.986 4 S CB 0.570 63.545 63.200 -0.375 0.000 0.985 4 S HN 0.534 nan 8.310 nan 0.000 0.562 5 F N -1.801 118.162 119.950 0.021 0.000 2.711 5 F HA 0.802 5.329 4.527 -0.000 0.000 0.313 5 F C -0.945 174.927 175.800 0.120 0.000 1.141 5 F CA -1.294 56.741 58.000 0.058 0.000 0.941 5 F CB 0.791 39.820 39.000 0.049 0.000 1.349 5 F HN 1.102 nan 8.300 nan 0.000 0.464 6 C N 0.359 119.649 119.300 -0.016 0.000 3.285 6 C HA 0.918 5.378 4.460 -0.000 0.000 0.325 6 C C -1.673 173.415 174.990 0.163 0.000 1.304 6 C CA -1.029 57.936 59.018 -0.088 0.000 1.319 6 C CB 1.124 28.933 27.740 0.115 0.000 1.640 6 C HN 0.987 nan 8.230 nan 0.000 0.477 7 V N 1.207 121.157 119.914 0.060 0.000 2.709 7 V HA 0.796 4.916 4.120 -0.000 0.000 0.308 7 V C -0.622 175.349 176.094 -0.204 0.000 1.062 7 V CA -0.422 61.842 62.300 -0.059 0.000 0.901 7 V CB 1.693 33.385 31.823 -0.219 0.000 1.003 7 V HN 1.106 nan 8.190 nan 0.000 0.425 8 V N 5.760 125.440 119.914 -0.390 0.000 2.444 8 V HA 0.534 4.654 4.120 -0.000 0.000 0.294 8 V C -1.009 174.833 176.094 -0.420 0.000 1.022 8 V CA -0.612 61.210 62.300 -0.798 0.000 0.850 8 V CB 1.428 32.304 31.823 -1.577 0.000 0.992 8 V HN 0.797 nan 8.190 nan 0.000 0.426 9 Y N 7.213 127.253 120.300 -0.433 0.000 2.569 9 Y HA 0.249 4.799 4.550 -0.000 0.000 0.332 9 Y C 1.270 177.002 175.900 -0.281 0.000 1.120 9 Y CA 0.350 58.283 58.100 -0.280 0.000 1.416 9 Y CB 0.190 38.557 38.460 -0.155 0.000 1.210 9 Y HN 0.852 nan 8.280 nan 0.000 0.528 10 K N 3.291 123.269 120.400 -0.702 0.000 3.035 10 K HA -0.216 4.104 4.320 -0.000 0.000 0.262 10 K C 0.561 176.969 176.600 -0.321 0.000 1.024 10 K CA 0.527 56.472 56.287 -0.570 0.000 0.748 10 K CB -1.674 30.442 32.500 -0.640 0.000 1.247 10 K HN 0.959 nan 8.250 nan 0.000 0.482 11 G N 0.939 109.577 108.800 -0.270 0.000 2.699 11 G HA2 0.274 4.234 3.960 -0.000 0.000 0.246 11 G HA3 0.274 4.234 3.960 -0.000 0.000 0.246 11 G C 0.200 175.131 174.900 0.052 0.000 1.219 11 G CA 0.138 45.163 45.100 -0.125 0.000 0.866 11 G HN 0.323 nan 8.290 nan 0.000 0.572 12 S N -1.403 114.377 115.700 0.132 0.000 2.638 12 S HA 0.414 4.884 4.470 -0.000 0.000 0.302 12 S C 0.787 175.505 174.600 0.197 0.000 1.096 12 S CA 0.064 58.371 58.200 0.178 0.000 0.953 12 S CB 2.071 65.314 63.200 0.072 0.000 1.107 12 S HN 0.606 nan 8.310 nan 0.000 0.503 13 D N 1.036 121.545 120.400 0.182 0.000 2.221 13 D HA -0.123 4.517 4.640 -0.000 0.000 0.204 13 D C 1.436 177.709 176.300 -0.045 0.000 0.982 13 D CA 1.839 55.836 54.000 -0.005 0.000 0.857 13 D CB -1.183 39.643 40.800 0.043 0.000 0.934 13 D HN 0.531 nan 8.370 nan 0.000 0.475 14 T N 0.335 114.895 114.554 0.009 0.000 2.746 14 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 14 T C 1.306 176.010 174.700 0.007 0.000 1.039 14 T CA 1.422 63.525 62.100 0.005 0.000 1.142 14 T CB -0.334 68.547 68.868 0.022 0.000 0.866 14 T HN 0.193 nan 8.240 nan 0.000 0.444 15 D N 1.112 121.538 120.400 0.044 0.000 2.104 15 D HA -0.081 4.559 4.640 -0.000 0.000 0.194 15 D C 2.119 178.436 176.300 0.027 0.000 0.994 15 D CA 0.911 54.980 54.000 0.114 0.000 0.830 15 D CB -0.157 40.780 40.800 0.229 0.000 0.959 15 D HN 0.261 nan 8.370 nan 0.000 0.452 16 I N 1.619 122.137 120.570 -0.087 0.000 2.202 16 I HA -0.184 3.986 4.170 -0.000 0.000 0.242 16 I C 1.937 177.963 176.117 -0.151 0.000 1.091 16 I CA 0.903 62.095 61.300 -0.180 0.000 1.368 16 I CB -1.175 36.618 38.000 -0.345 0.000 1.058 16 I HN -0.001 nan 8.210 nan 0.000 0.410 17 N N 1.466 120.104 118.700 -0.103 0.000 2.223 17 N HA -0.154 4.586 4.740 -0.000 0.000 0.185 17 N C 1.489 176.958 175.510 -0.068 0.000 1.016 17 N CA 0.940 53.949 53.050 -0.068 0.000 0.863 17 N CB -0.419 38.042 38.487 -0.043 0.000 0.983 17 N HN 0.393 nan 8.380 nan 0.000 0.429 18 N N 1.119 119.780 118.700 -0.066 0.000 2.188 18 N HA -0.002 4.738 4.740 -0.000 0.000 0.184 18 N C 1.869 177.326 175.510 -0.088 0.000 1.018 18 N CA 0.476 53.489 53.050 -0.062 0.000 0.858 18 N CB -0.201 38.260 38.487 -0.043 0.000 0.989 18 N HN 0.323 nan 8.380 nan 0.000 0.426 19 I N 1.078 121.559 120.570 -0.148 0.000 2.286 19 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 19 I C 1.862 177.900 176.117 -0.133 0.000 1.104 19 I CA 0.938 62.119 61.300 -0.198 0.000 1.397 19 I CB -0.203 37.464 38.000 -0.554 0.000 1.072 19 I HN 0.117 nan 8.210 nan 0.000 0.417 20 Q N 0.678 120.388 119.800 -0.150 0.000 2.437 20 Q HA -0.165 4.175 4.340 -0.000 0.000 0.210 20 Q C 2.099 178.082 176.000 -0.027 0.000 0.972 20 Q CA 0.695 56.486 55.803 -0.021 0.000 0.903 20 Q CB -0.149 28.606 28.738 0.028 0.000 0.967 20 Q HN 0.585 nan 8.270 nan 0.000 0.486 21 R N 0.040 120.500 120.500 -0.066 0.000 2.193 21 R HA -0.060 4.280 4.340 -0.000 0.000 0.213 21 R C 0.396 176.611 176.300 -0.143 0.000 1.055 21 R CA 1.347 57.399 56.100 -0.080 0.000 0.995 21 R CB 0.248 30.505 30.300 -0.072 0.000 0.893 21 R HN 0.111 nan 8.270 nan 0.000 0.459 22 D N -0.656 119.605 120.400 -0.232 0.000 2.479 22 D HA 0.157 4.797 4.640 -0.000 0.000 0.221 22 D C -0.670 175.131 176.300 -0.832 0.000 1.104 22 D CA 0.327 54.011 54.000 -0.528 0.000 0.849 22 D CB 0.531 40.922 40.800 -0.681 0.000 1.072 22 D HN 0.063 nan 8.370 nan 0.000 0.502 23 F N 1.823 121.764 119.950 -0.014 0.000 2.539 23 F HA 0.252 4.779 4.527 -0.000 0.000 0.328 23 F C 0.158 176.055 175.800 0.162 0.000 1.148 23 F CA -1.190 56.850 58.000 0.067 0.000 0.940 23 F CB 1.468 40.506 39.000 0.063 0.000 1.194 23 F HN -0.413 nan 8.300 nan 0.000 0.438 24 D N 2.085 122.654 120.400 0.282 0.000 2.414 24 D HA 0.508 5.148 4.640 -0.000 0.000 0.242 24 D C 0.565 177.053 176.300 0.312 0.000 1.129 24 D CA 0.814 54.956 54.000 0.236 0.000 0.885 24 D CB 1.548 42.429 40.800 0.134 0.000 1.198 24 D HN 0.848 nan 8.370 nan 0.000 0.437 25 G N 0.642 109.604 108.800 0.269 0.000 2.333 25 G HA2 0.366 4.326 3.960 -0.000 0.000 0.288 25 G HA3 0.366 4.326 3.960 -0.000 0.000 0.288 25 G C -1.662 173.304 174.900 0.111 0.000 1.286 25 G CA -0.776 44.374 45.100 0.083 0.000 0.865 25 G HN 0.555 nan 8.290 nan 0.000 0.506 26 K N -0.968 119.368 120.400 -0.107 0.000 2.469 26 K HA 0.761 5.081 4.320 -0.000 0.000 0.254 26 K C -0.098 176.515 176.600 0.021 0.000 0.939 26 K CA -0.531 55.773 56.287 0.028 0.000 0.812 26 K CB 2.306 34.819 32.500 0.021 0.000 1.301 26 K HN 1.167 nan 8.250 nan 0.000 0.433 27 G N 0.853 109.729 108.800 0.126 0.000 2.410 27 G HA2 0.416 4.376 3.960 -0.000 0.000 0.330 27 G HA3 0.416 4.376 3.960 -0.000 0.000 0.330 27 G C -1.387 173.595 174.900 0.137 0.000 1.142 27 G CA -0.474 44.698 45.100 0.121 0.000 0.902 27 G HN 0.672 nan 8.290 nan 0.000 0.491 28 E N 0.193 120.521 120.200 0.212 0.000 2.275 28 E HA 0.540 4.890 4.350 -0.000 0.000 0.270 28 E C -0.254 176.537 176.600 0.318 0.000 0.882 28 E CA -0.880 55.669 56.400 0.247 0.000 0.758 28 E CB 1.888 31.714 29.700 0.211 0.000 1.195 28 E HN 0.682 nan 8.360 nan 0.000 0.419 29 A N 4.578 127.549 122.820 0.251 0.000 2.425 29 A HA 0.487 4.807 4.320 -0.000 0.000 0.249 29 A C -0.487 177.092 177.584 -0.008 0.000 1.084 29 A CA -0.112 51.929 52.037 0.006 0.000 0.781 29 A CB 0.263 19.211 19.000 -0.087 0.000 1.019 29 A HN 0.625 nan 8.150 nan 0.000 0.490 30 L N 1.190 122.343 121.223 -0.118 0.000 2.267 30 L HA 0.363 4.703 4.340 -0.000 0.000 0.264 30 L C 1.676 178.487 176.870 -0.098 0.000 1.021 30 L CA -0.714 54.086 54.840 -0.066 0.000 0.861 30 L CB 1.175 43.165 42.059 -0.114 0.000 1.443 30 L HN 0.780 nan 8.230 nan 0.000 0.475 31 S N 0.009 115.681 115.700 -0.047 0.000 2.365 31 S HA -0.158 4.312 4.470 -0.000 0.000 0.225 31 S C 0.423 174.942 174.600 -0.135 0.000 1.039 31 S CA 1.865 60.030 58.200 -0.059 0.000 1.033 31 S CB -0.279 62.913 63.200 -0.013 0.000 0.887 31 S HN 0.637 nan 8.310 nan 0.000 0.447 32 N N 0.261 118.853 118.700 -0.180 0.000 2.646 32 N HA 0.526 5.266 4.740 -0.000 0.000 0.303 32 N C -0.171 175.091 175.510 -0.413 0.000 1.921 32 N CA 0.160 53.026 53.050 -0.307 0.000 0.872 32 N CB 1.561 39.857 38.487 -0.320 0.000 1.327 32 N HN 0.378 nan 8.380 nan 0.000 0.492 33 G N -0.487 108.084 108.800 -0.382 0.000 2.344 33 G HA2 0.198 4.158 3.960 -0.000 0.000 0.282 33 G HA3 0.198 4.158 3.960 -0.000 0.000 0.282 33 G C -2.274 172.386 174.900 -0.400 0.000 1.281 33 G CA -0.637 44.231 45.100 -0.386 0.000 0.877 33 G HN -0.009 nan 8.290 nan 0.000 0.494 34 Y N -0.634 119.559 120.300 -0.178 0.000 2.536 34 Y HA 0.780 5.330 4.550 -0.000 0.000 0.347 34 Y C -0.155 175.693 175.900 -0.085 0.000 1.000 34 Y CA -1.072 56.966 58.100 -0.103 0.000 1.051 34 Y CB 2.345 40.766 38.460 -0.066 0.000 1.259 34 Y HN 0.533 nan 8.280 nan 0.000 0.468 35 L N 4.556 125.907 121.223 0.214 0.000 2.356 35 L HA 0.543 4.883 4.340 -0.000 0.000 0.277 35 L C -2.048 174.936 176.870 0.189 0.000 0.996 35 L CA -0.607 54.316 54.840 0.138 0.000 0.822 35 L CB 1.272 43.350 42.059 0.031 0.000 1.256 35 L HN 0.671 nan 8.230 nan 0.000 0.413 36 F N 6.559 126.555 119.950 0.077 0.000 2.520 36 F HA 0.662 5.189 4.527 -0.000 0.000 0.322 36 F C -1.119 174.715 175.800 0.056 0.000 1.103 36 F CA -0.798 57.227 58.000 0.043 0.000 0.926 36 F CB 1.546 40.577 39.000 0.051 0.000 1.154 36 F HN 0.453 nan 8.300 nan 0.000 0.453 37 I N 5.563 125.481 120.570 -1.088 0.000 2.534 37 I HA 0.311 4.481 4.170 -0.000 0.000 0.288 37 I C -0.645 174.895 176.117 -0.962 0.000 1.077 37 I CA -0.412 60.434 61.300 -0.757 0.000 1.051 37 I CB 1.517 39.235 38.000 -0.471 0.000 1.234 37 I HN 0.674 nan 8.210 nan 0.000 0.425 38 E N 4.247 124.115 120.200 -0.553 0.000 2.436 38 E HA -0.114 4.236 4.350 -0.000 0.000 0.262 38 E C 0.494 177.011 176.600 -0.138 0.000 1.063 38 E CA 0.179 56.450 56.400 -0.215 0.000 0.944 38 E CB 0.816 30.535 29.700 0.033 0.000 0.950 38 E HN 0.571 nan 8.360 nan 0.000 0.444 39 Q N 2.135 121.918 119.800 -0.028 0.000 2.224 39 Q HA -0.265 4.074 4.340 -0.000 0.000 0.213 39 Q C 0.415 176.391 176.000 -0.040 0.000 0.998 39 Q CA 2.217 58.013 55.803 -0.011 0.000 0.895 39 Q CB -0.111 28.651 28.738 0.040 0.000 0.926 39 Q HN 0.492 nan 8.270 nan 0.000 0.417 40 N N -0.648 118.022 118.700 -0.050 0.000 2.251 40 N HA 0.257 4.997 4.740 -0.000 0.000 0.217 40 N C -0.303 175.064 175.510 -0.237 0.000 1.124 40 N CA 0.063 53.046 53.050 -0.112 0.000 0.843 40 N CB 0.812 39.272 38.487 -0.044 0.000 1.024 40 N HN 0.197 nan 8.380 nan 0.000 0.501 41 G N -0.211 108.483 108.800 -0.177 0.000 2.507 41 G HA2 0.190 4.150 3.960 -0.000 0.000 0.271 41 G HA3 0.190 4.150 3.960 -0.000 0.000 0.271 41 G C -0.714 174.063 174.900 -0.205 0.000 1.189 41 G CA -0.212 44.803 45.100 -0.143 0.000 0.859 41 G HN 0.266 nan 8.290 nan 0.000 0.542 42 H N -0.362 118.801 119.070 0.154 0.000 2.622 42 H HA 0.534 5.090 4.556 -0.000 0.000 0.363 42 H C -1.001 174.489 175.328 0.269 0.000 1.151 42 H CA -0.178 55.980 56.048 0.185 0.000 1.184 42 H CB 2.112 31.948 29.762 0.122 0.000 1.643 42 H HN 0.677 nan 8.280 nan 0.000 0.531 43 Y N -0.380 119.999 120.300 0.132 0.000 2.641 43 Y HA 0.461 5.011 4.550 -0.000 0.000 0.333 43 Y C -1.846 174.059 175.900 0.008 0.000 1.174 43 Y CA -0.949 57.178 58.100 0.045 0.000 1.057 43 Y CB 1.125 39.601 38.460 0.026 0.000 1.322 43 Y HN 0.381 nan 8.280 nan 0.000 0.457 44 Q N 2.066 121.757 119.800 -0.181 0.000 2.544 44 Q HA 0.623 4.963 4.340 -0.000 0.000 0.291 44 Q C -1.537 174.275 176.000 -0.314 0.000 1.068 44 Q CA -1.032 54.583 55.803 -0.314 0.000 0.785 44 Q CB 3.609 32.240 28.738 -0.178 0.000 1.481 44 Q HN 0.914 nan 8.270 nan 0.000 0.430 45 K N -1.109 119.074 120.400 -0.362 0.000 2.522 45 K HA 0.868 5.188 4.320 -0.000 0.000 0.275 45 K C -0.951 175.464 176.600 -0.308 0.000 1.006 45 K CA -0.855 55.156 56.287 -0.461 0.000 0.890 45 K CB 1.683 33.755 32.500 -0.713 0.000 1.475 45 K HN 0.834 nan 8.250 nan 0.000 0.441 46 C N -0.956 118.168 119.300 -0.294 0.000 3.247 46 C HA 0.420 4.880 4.460 -0.000 0.000 0.375 46 C C -1.310 173.596 174.990 -0.141 0.000 1.102 46 C CA -0.892 58.024 59.018 -0.170 0.000 1.227 46 C CB 1.384 29.064 27.740 -0.100 0.000 1.586 46 C HN 0.828 nan 8.230 nan 0.000 0.544 47 E N 2.755 122.900 120.200 -0.091 0.000 2.344 47 E HA 0.433 4.783 4.350 -0.000 0.000 0.270 47 E C -0.054 176.536 176.600 -0.017 0.000 1.021 47 E CA 0.331 56.699 56.400 -0.053 0.000 0.887 47 E CB 0.960 30.640 29.700 -0.033 0.000 0.997 47 E HN 0.783 nan 8.360 nan 0.000 0.429 48 M N 1.615 121.217 119.600 0.003 0.000 2.861 48 M HA 0.127 4.607 4.480 -0.000 0.000 0.294 48 M C 1.631 177.960 176.300 0.049 0.000 1.185 48 M CA -0.796 54.529 55.300 0.042 0.000 0.809 48 M CB 1.069 33.707 32.600 0.063 0.000 1.722 48 M HN 0.338 nan 8.290 nan 0.000 0.496 49 E N 0.485 120.727 120.200 0.070 0.000 2.072 49 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 49 E C 1.438 178.076 176.600 0.065 0.000 0.985 49 E CA 1.446 57.884 56.400 0.063 0.000 0.801 49 E CB -0.309 29.433 29.700 0.070 0.000 0.750 49 E HN 0.449 nan 8.360 nan 0.000 0.452 50 R N 1.184 121.734 120.500 0.084 0.000 2.317 50 R HA 0.233 4.573 4.340 -0.000 0.000 0.208 50 R C 0.149 176.492 176.300 0.072 0.000 0.914 50 R CA 0.705 56.854 56.100 0.083 0.000 1.060 50 R CB 0.385 30.751 30.300 0.110 0.000 1.015 50 R HN 0.351 nan 8.270 nan 0.000 0.498 51 G N -2.159 106.677 108.800 0.060 0.000 2.350 51 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.282 51 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.282 51 G C -1.370 173.552 174.900 0.037 0.000 1.314 51 G CA -0.683 44.452 45.100 0.057 0.000 0.915 51 G HN -0.036 nan 8.290 nan 0.000 0.499 52 T N 1.041 115.631 114.554 0.060 0.000 2.806 52 T HA 0.660 5.010 4.350 -0.000 0.000 0.290 52 T C 0.514 175.190 174.700 -0.040 0.000 0.966 52 T CA 0.677 62.777 62.100 0.001 0.000 1.060 52 T CB 1.319 70.231 68.868 0.073 0.000 0.927 52 T HN 1.462 nan 8.240 nan 0.000 0.485 53 A N 3.579 126.261 122.820 -0.231 0.000 2.301 53 A HA 0.711 5.031 4.320 -0.000 0.000 0.312 53 A C -1.152 176.059 177.584 -0.622 0.000 1.182 53 A CA -0.623 51.163 52.037 -0.418 0.000 0.826 53 A CB 0.359 19.152 19.000 -0.345 0.000 1.134 53 A HN 0.861 nan 8.150 nan 0.000 0.501 54 Y N 1.470 121.231 120.300 -0.898 0.000 2.409 54 Y HA 0.524 5.074 4.550 -0.000 0.000 0.343 54 Y C -0.154 175.274 175.900 -0.786 0.000 0.973 54 Y CA -0.851 56.745 58.100 -0.839 0.000 1.064 54 Y CB 2.196 39.866 38.460 -1.318 0.000 1.207 54 Y HN 0.529 nan 8.280 nan 0.000 0.452 55 L N 6.037 127.132 121.223 -0.213 0.000 2.345 55 L HA 0.501 4.841 4.340 -0.000 0.000 0.274 55 L C -1.547 175.345 176.870 0.036 0.000 0.999 55 L CA -0.601 54.234 54.840 -0.008 0.000 0.849 55 L CB 0.540 42.657 42.059 0.095 0.000 1.220 55 L HN 0.577 nan 8.230 nan 0.000 0.422 56 I N 4.239 124.795 120.570 -0.023 0.000 2.385 56 I HA 0.711 4.880 4.170 -0.000 0.000 0.294 56 I C 0.990 177.143 176.117 0.061 0.000 0.988 56 I CA 0.105 61.363 61.300 -0.071 0.000 1.265 56 I CB 0.720 38.360 38.000 -0.599 0.000 1.388 56 I HN 0.777 nan 8.210 nan 0.000 0.480 57 G N 5.100 113.986 108.800 0.144 0.000 2.508 57 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.220 57 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.220 57 G C -0.461 174.564 174.900 0.208 0.000 1.287 57 G CA -0.126 45.099 45.100 0.207 0.000 0.916 57 G HN 1.102 nan 8.290 nan 0.000 0.574 58 S N -1.272 114.532 115.700 0.172 0.000 2.627 58 S HA 0.828 5.298 4.470 -0.000 0.000 0.283 58 S C -0.608 173.993 174.600 0.001 0.000 1.127 58 S CA -0.781 57.479 58.200 0.100 0.000 0.863 58 S CB 2.103 65.391 63.200 0.147 0.000 1.121 58 S HN 1.130 nan 8.310 nan 0.000 0.479 59 L N 1.826 123.034 121.223 -0.025 0.000 2.322 59 L HA 0.467 4.807 4.340 -0.000 0.000 0.279 59 L C -0.094 176.831 176.870 0.093 0.000 1.036 59 L CA -0.876 53.910 54.840 -0.090 0.000 0.807 59 L CB 0.994 42.980 42.059 -0.122 0.000 1.226 59 L HN 0.779 nan 8.230 nan 0.000 0.433 60 Y N 0.302 120.583 120.300 -0.032 0.000 2.507 60 Y HA 0.051 4.601 4.550 -0.000 0.000 0.263 60 Y C 1.252 177.132 175.900 -0.033 0.000 1.093 60 Y CA -0.504 57.562 58.100 -0.057 0.000 1.285 60 Y CB -0.076 38.305 38.460 -0.132 0.000 1.115 60 Y HN 0.647 nan 8.280 nan 0.000 0.533 61 N N -0.067 118.714 118.700 0.135 0.000 2.541 61 N HA 0.130 4.870 4.740 -0.000 0.000 0.297 61 N C 0.853 176.445 175.510 0.136 0.000 1.503 61 N CA -0.210 52.915 53.050 0.125 0.000 0.919 61 N CB -0.201 38.346 38.487 0.099 0.000 1.305 61 N HN 0.077 nan 8.380 nan 0.000 0.501 62 R N -0.056 120.487 120.500 0.071 0.000 2.103 62 R HA -0.098 4.242 4.340 -0.000 0.000 0.242 62 R C 1.074 177.391 176.300 0.029 0.000 1.142 62 R CA 2.186 58.300 56.100 0.022 0.000 0.960 62 R CB -0.328 29.970 30.300 -0.003 0.000 0.858 62 R HN 0.268 nan 8.270 nan 0.000 0.439 63 T N 0.723 115.314 114.554 0.062 0.000 2.684 63 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 63 T C 1.371 176.116 174.700 0.074 0.000 1.036 63 T CA 1.639 63.776 62.100 0.062 0.000 1.148 63 T CB -0.349 68.564 68.868 0.074 0.000 0.863 63 T HN 0.271 nan 8.240 nan 0.000 0.436 64 F N 1.631 121.578 119.950 -0.004 0.000 2.113 64 F HA -0.003 4.524 4.527 -0.000 0.000 0.297 64 F C 1.911 177.691 175.800 -0.033 0.000 1.103 64 F CA 1.117 59.116 58.000 -0.002 0.000 1.248 64 F CB -0.424 38.584 39.000 0.015 0.000 0.999 64 F HN 0.039 nan 8.300 nan 0.000 0.475 65 L N 0.184 121.374 121.223 -0.055 0.000 2.046 65 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 65 L C 2.499 179.186 176.870 -0.306 0.000 1.077 65 L CA 1.459 56.185 54.840 -0.190 0.000 0.747 65 L CB -0.771 41.255 42.059 -0.056 0.000 0.896 65 L HN 0.220 nan 8.230 nan 0.000 0.432 66 I N -0.138 120.291 120.570 -0.235 0.000 2.315 66 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 66 I C 2.606 178.518 176.117 -0.341 0.000 1.117 66 I CA 1.256 62.380 61.300 -0.294 0.000 1.404 66 I CB -0.752 37.149 38.000 -0.166 0.000 1.071 66 I HN 0.271 nan 8.210 nan 0.000 0.419 67 G N 1.066 109.712 108.800 -0.257 0.000 2.432 67 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 67 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 67 G C 1.610 176.304 174.900 -0.343 0.000 1.135 67 G CA 0.517 45.485 45.100 -0.220 0.000 0.767 67 G HN 0.243 nan 8.290 nan 0.000 0.550 68 L N 1.320 122.248 121.223 -0.491 0.000 2.007 68 L HA 0.286 4.626 4.340 -0.000 0.000 0.205 68 L C 3.011 179.511 176.870 -0.617 0.000 1.073 68 L CA 2.307 56.870 54.840 -0.461 0.000 0.744 68 L CB -0.966 40.796 42.059 -0.496 0.000 0.898 68 L HN 0.182 nan 8.230 nan 0.000 0.435 69 A N -0.395 121.932 122.820 -0.822 0.000 1.972 69 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 69 A C 2.250 179.026 177.584 -1.347 0.000 1.169 69 A CA 1.398 52.541 52.037 -1.489 0.000 0.635 69 A CB -1.643 16.808 19.000 -0.914 0.000 0.810 69 A HN 0.592 nan 8.150 nan 0.000 0.446 70 G N -0.723 107.569 108.800 -0.847 0.000 2.498 70 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.219 70 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.219 70 G C 1.335 175.996 174.900 -0.398 0.000 1.119 70 G CA 0.990 45.682 45.100 -0.680 0.000 0.766 70 G HN 0.321 nan 8.290 nan 0.000 0.552 71 V N -0.346 119.333 119.914 -0.392 0.000 2.490 71 V HA -0.125 3.995 4.120 -0.000 0.000 0.250 71 V C 2.153 178.269 176.094 0.037 0.000 1.061 71 V CA 2.121 64.359 62.300 -0.103 0.000 1.064 71 V CB -0.465 31.377 31.823 0.032 0.000 0.670 71 V HN 0.911 nan 8.190 nan 0.000 0.461 72 W N -1.557 119.698 121.300 -0.074 0.000 2.773 72 W HA 0.492 5.152 4.660 -0.000 0.000 0.297 72 W C 0.387 176.869 176.519 -0.062 0.000 1.050 72 W CA -0.254 57.056 57.345 -0.058 0.000 1.467 72 W CB 0.525 29.950 29.460 -0.057 0.000 0.977 72 W HN -0.124 nan 8.180 nan 0.000 0.573 73 E N 1.163 121.107 120.200 -0.426 0.000 2.220 73 E HA 0.260 4.610 4.350 -0.000 0.000 0.256 73 E C 1.032 177.451 176.600 -0.302 0.000 0.881 73 E CA -0.196 56.052 56.400 -0.254 0.000 0.766 73 E CB 1.562 31.103 29.700 -0.265 0.000 1.187 73 E HN 0.196 nan 8.360 nan 0.000 0.419 74 G N 2.862 111.587 108.800 -0.125 0.000 2.470 74 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.220 74 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.220 74 G C 0.926 175.769 174.900 -0.094 0.000 1.121 74 G CA 0.431 45.502 45.100 -0.048 0.000 0.766 74 G HN 0.456 nan 8.290 nan 0.000 0.553 75 E N 0.382 120.505 120.200 -0.128 0.000 2.511 75 E HA 0.171 4.521 4.350 -0.000 0.000 0.196 75 E C 2.591 179.071 176.600 -0.201 0.000 1.066 75 E CA 0.200 56.535 56.400 -0.109 0.000 0.871 75 E CB 0.071 29.731 29.700 -0.066 0.000 0.863 75 E HN 0.442 nan 8.360 nan 0.000 0.520 76 A N 0.559 123.139 122.820 -0.400 0.000 1.969 76 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 76 A C 1.467 178.800 177.584 -0.419 0.000 1.169 76 A CA 0.929 52.681 52.037 -0.474 0.000 0.635 76 A CB -0.558 18.023 19.000 -0.698 0.000 0.810 76 A HN 0.243 nan 8.150 nan 0.000 0.445 77 Y N -0.349 119.872 120.300 -0.131 0.000 2.384 77 Y HA -0.038 4.512 4.550 -0.000 0.000 0.289 77 Y C 1.595 177.442 175.900 -0.087 0.000 1.152 77 Y CA 1.000 59.037 58.100 -0.106 0.000 1.258 77 Y CB -0.309 38.095 38.460 -0.093 0.000 0.979 77 Y HN 0.205 nan 8.280 nan 0.000 0.549 78 L N -1.333 119.898 121.223 0.013 0.000 3.016 78 L HA 0.437 4.777 4.340 -0.000 0.000 0.267 78 L C 0.767 177.608 176.870 -0.049 0.000 1.182 78 L CA -0.424 54.410 54.840 -0.009 0.000 0.997 78 L CB 0.003 42.063 42.059 0.001 0.000 1.354 78 L HN -0.045 nan 8.230 nan 0.000 0.569 79 A N 1.301 124.073 122.820 -0.081 0.000 2.425 79 A HA 0.344 4.664 4.320 -0.000 0.000 0.249 79 A C 0.298 177.831 177.584 -0.086 0.000 1.084 79 A CA -0.349 51.635 52.037 -0.089 0.000 0.781 79 A CB 0.093 19.025 19.000 -0.114 0.000 1.019 79 A HN 0.479 nan 8.150 nan 0.000 0.490 80 N N 1.409 120.059 118.700 -0.083 0.000 2.327 80 N HA 0.082 4.822 4.740 -0.000 0.000 0.257 80 N C 0.074 175.530 175.510 -0.089 0.000 1.281 80 N CA -0.048 52.948 53.050 -0.089 0.000 0.942 80 N CB 0.249 38.675 38.487 -0.102 0.000 1.199 80 N HN 0.491 nan 8.380 nan 0.000 0.532 81 D N -0.661 119.686 120.400 -0.089 0.000 2.133 81 D HA -0.180 4.460 4.640 -0.000 0.000 0.195 81 D C 1.710 177.972 176.300 -0.063 0.000 0.997 81 D CA 2.081 56.028 54.000 -0.088 0.000 0.840 81 D CB -0.711 40.042 40.800 -0.077 0.000 0.947 81 D HN 0.693 nan 8.370 nan 0.000 0.452 82 A N 0.741 123.538 122.820 -0.038 0.000 1.897 82 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 82 A C 2.114 179.734 177.584 0.059 0.000 1.181 82 A CA 1.390 53.454 52.037 0.045 0.000 0.620 82 A CB -0.486 18.468 19.000 -0.077 0.000 0.821 82 A HN 0.171 nan 8.150 nan 0.000 0.443 83 E N -0.646 119.540 120.200 -0.022 0.000 2.077 83 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 83 E C 1.928 178.507 176.600 -0.035 0.000 0.989 83 E CA 1.181 57.568 56.400 -0.022 0.000 0.800 83 E CB -0.253 29.416 29.700 -0.052 0.000 0.746 83 E HN 0.480 nan 8.360 nan 0.000 0.452 84 L N 0.941 122.117 121.223 -0.078 0.000 1.989 84 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 84 L C 2.005 178.803 176.870 -0.121 0.000 1.071 84 L CA 1.730 56.498 54.840 -0.120 0.000 0.749 84 L CB -0.410 41.562 42.059 -0.145 0.000 0.890 84 L HN 0.146 nan 8.230 nan 0.000 0.431 85 L N -0.827 120.294 121.223 -0.170 0.000 2.201 85 L HA -0.132 4.207 4.340 -0.000 0.000 0.212 85 L C 2.620 179.337 176.870 -0.254 0.000 1.105 85 L CA 0.898 55.546 54.840 -0.320 0.000 0.775 85 L CB -0.981 40.687 42.059 -0.652 0.000 0.913 85 L HN 0.400 nan 8.230 nan 0.000 0.440 86 A N 0.481 123.267 122.820 -0.056 0.000 1.902 86 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 86 A C 2.269 179.951 177.584 0.163 0.000 1.181 86 A CA 1.274 53.388 52.037 0.129 0.000 0.623 86 A CB -0.571 18.532 19.000 0.172 0.000 0.818 86 A HN 0.336 nan 8.150 nan 0.000 0.443 87 L N -0.603 120.687 121.223 0.112 0.000 2.017 87 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 87 L C 2.585 179.641 176.870 0.311 0.000 1.073 87 L CA 1.216 56.177 54.840 0.202 0.000 0.745 87 L CB -0.574 41.558 42.059 0.121 0.000 0.894 87 L HN 0.382 nan 8.230 nan 0.000 0.432 88 L N -1.519 119.836 121.223 0.221 0.000 2.046 88 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 88 L C 2.569 179.522 176.870 0.138 0.000 1.077 88 L CA 1.203 56.184 54.840 0.236 0.000 0.747 88 L CB -0.582 41.539 42.059 0.104 0.000 0.896 88 L HN 0.169 nan 8.230 nan 0.000 0.432 89 F N 1.500 121.426 119.950 -0.040 0.000 2.046 89 F HA -0.292 4.235 4.527 -0.000 0.000 0.297 89 F C 2.886 178.681 175.800 -0.008 0.000 1.123 89 F CA 2.249 60.225 58.000 -0.040 0.000 1.199 89 F CB -0.501 38.474 39.000 -0.041 0.000 0.972 89 F HN 0.156 nan 8.300 nan 0.000 0.474 90 T N -1.728 112.901 114.554 0.125 0.000 2.915 90 T HA -0.155 4.195 4.350 -0.000 0.000 0.269 90 T C 2.019 176.634 174.700 -0.141 0.000 1.071 90 T CA 1.331 63.424 62.100 -0.011 0.000 1.132 90 T CB -0.288 68.645 68.868 0.108 0.000 0.878 90 T HN 0.244 nan 8.240 nan 0.000 0.479 91 R N 0.795 121.199 120.500 -0.160 0.000 2.087 91 R HA 0.400 4.740 4.340 -0.000 0.000 0.216 91 R C 1.959 178.026 176.300 -0.389 0.000 1.114 91 R CA 0.979 56.844 56.100 -0.393 0.000 1.002 91 R CB -0.672 29.137 30.300 -0.820 0.000 0.903 91 R HN 0.479 nan 8.270 nan 0.000 0.445 92 L N 0.105 121.162 121.223 -0.275 0.000 2.693 92 L HA 0.411 4.751 4.340 -0.000 0.000 0.235 92 L C 0.404 177.164 176.870 -0.183 0.000 1.127 92 L CA -0.019 54.697 54.840 -0.206 0.000 0.914 92 L CB 0.385 42.384 42.059 -0.101 0.000 1.193 92 L HN 0.505 nan 8.230 nan 0.000 0.502 93 G N -0.124 108.512 108.800 -0.274 0.000 2.795 93 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.664 93 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.664 93 G C 0.679 175.420 174.900 -0.264 0.000 1.381 93 G CA -0.251 44.626 45.100 -0.371 0.000 0.853 93 G HN 0.130 nan 8.290 nan 0.000 0.545 94 A N -0.199 122.481 122.820 -0.233 0.000 1.940 94 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 94 A C 2.253 179.888 177.584 0.085 0.000 1.176 94 A CA 2.521 54.629 52.037 0.119 0.000 0.631 94 A CB -0.517 18.611 19.000 0.213 0.000 0.814 94 A HN 0.889 nan 8.150 nan 0.000 0.446 95 N N 0.488 119.194 118.700 0.010 0.000 2.205 95 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 95 N C 1.683 177.208 175.510 0.026 0.000 1.015 95 N CA 1.433 54.489 53.050 0.010 0.000 0.862 95 N CB -0.523 37.953 38.487 -0.018 0.000 0.986 95 N HN 0.505 nan 8.380 nan 0.000 0.429 96 A N -0.038 122.797 122.820 0.026 0.000 2.070 96 A HA -0.035 4.285 4.320 -0.000 0.000 0.220 96 A C 1.954 179.580 177.584 0.070 0.000 1.159 96 A CA 0.779 52.846 52.037 0.050 0.000 0.656 96 A CB -0.379 18.649 19.000 0.047 0.000 0.800 96 A HN 0.155 nan 8.150 nan 0.000 0.453 97 L N -0.801 120.468 121.223 0.076 0.000 2.376 97 L HA 0.016 4.356 4.340 -0.000 0.000 0.219 97 L C 2.709 179.677 176.870 0.163 0.000 1.133 97 L CA 1.267 56.154 54.840 0.079 0.000 0.816 97 L CB -0.519 41.584 42.059 0.073 0.000 0.933 97 L HN 0.375 nan 8.230 nan 0.000 0.449 98 A N -0.805 122.084 122.820 0.114 0.000 2.121 98 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 98 A C 2.129 179.729 177.584 0.026 0.000 1.154 98 A CA 1.036 53.114 52.037 0.069 0.000 0.679 98 A CB -0.612 18.376 19.000 -0.019 0.000 0.795 98 A HN 0.419 nan 8.150 nan 0.000 0.458 99 L N -0.837 120.443 121.223 0.096 0.000 2.395 99 L HA 0.079 4.419 4.340 -0.000 0.000 0.218 99 L C 1.476 178.524 176.870 0.297 0.000 1.130 99 L CA 0.138 55.081 54.840 0.171 0.000 0.826 99 L CB -0.539 41.681 42.059 0.270 0.000 0.941 99 L HN 0.383 nan 8.230 nan 0.000 0.451 100 A N 0.769 123.742 122.820 0.255 0.000 2.354 100 A HA 0.383 4.703 4.320 -0.000 0.000 0.269 100 A C -0.094 177.723 177.584 0.387 0.000 1.109 100 A CA -0.238 51.904 52.037 0.176 0.000 0.800 100 A CB 0.246 19.134 19.000 -0.187 0.000 1.045 100 A HN 0.263 nan 8.150 nan 0.000 0.489 101 E N 0.262 120.573 120.200 0.185 0.000 2.212 101 E HA 0.662 5.012 4.350 -0.000 0.000 0.268 101 E C -0.017 176.538 176.600 -0.075 0.000 0.902 101 E CA -0.432 56.036 56.400 0.113 0.000 0.779 101 E CB 2.134 31.771 29.700 -0.105 0.000 1.172 101 E HN 1.172 nan 8.360 nan 0.000 0.409 102 G N 1.773 110.398 108.800 -0.292 0.000 2.353 102 G HA2 0.002 3.962 3.960 -0.000 0.000 0.308 102 G HA3 0.002 3.962 3.960 -0.000 0.000 0.308 102 G C -1.606 173.068 174.900 -0.377 0.000 1.418 102 G CA -0.917 43.563 45.100 -1.034 0.000 0.966 102 G HN 0.631 nan 8.290 nan 0.000 0.638 103 D N -0.092 120.066 120.400 -0.403 0.000 2.713 103 D HA 0.426 5.066 4.640 -0.000 0.000 0.229 103 D C 0.192 176.548 176.300 0.093 0.000 1.136 103 D CA -0.325 53.683 54.000 0.014 0.000 1.010 103 D CB -0.570 40.299 40.800 0.116 0.000 1.084 103 D HN 0.504 nan 8.370 nan 0.000 0.495 104 F N -0.903 119.068 119.950 0.035 0.000 2.618 104 F HA 0.722 5.249 4.527 -0.000 0.000 0.332 104 F C -1.074 174.804 175.800 0.130 0.000 1.061 104 F CA -1.714 56.322 58.000 0.060 0.000 0.974 104 F CB 1.582 40.595 39.000 0.021 0.000 1.310 104 F HN 0.094 nan 8.300 nan 0.000 0.491 105 C N 3.112 122.571 119.300 0.265 0.000 2.551 105 C HA 0.694 5.154 4.460 -0.000 0.000 0.332 105 C C -1.674 173.555 174.990 0.397 0.000 1.139 105 C CA -0.825 58.345 59.018 0.255 0.000 1.328 105 C CB 0.152 28.011 27.740 0.198 0.000 1.903 105 C HN 0.836 nan 8.230 nan 0.000 0.459 106 F N 7.384 127.531 119.950 0.329 0.000 2.458 106 F HA 0.863 5.390 4.527 -0.000 0.000 0.336 106 F C -0.725 175.207 175.800 0.221 0.000 1.114 106 F CA -0.689 57.417 58.000 0.177 0.000 0.987 106 F CB 1.104 40.212 39.000 0.179 0.000 1.130 106 F HN 0.650 nan 8.300 nan 0.000 0.458 107 F N 5.317 124.987 119.950 -0.467 0.000 2.619 107 F HA 0.706 5.233 4.527 -0.000 0.000 0.308 107 F C -2.029 173.530 175.800 -0.402 0.000 1.097 107 F CA -1.788 56.037 58.000 -0.292 0.000 0.953 107 F CB 0.851 39.810 39.000 -0.068 0.000 1.287 107 F HN 0.237 nan 8.300 nan 0.000 0.446 108 I N 2.439 123.028 120.570 0.032 0.000 2.339 108 I HA 0.236 4.406 4.170 -0.000 0.000 0.290 108 I C -0.950 175.288 176.117 0.202 0.000 0.994 108 I CA -0.528 60.782 61.300 0.017 0.000 1.191 108 I CB 1.484 39.450 38.000 -0.055 0.000 1.343 108 I HN 0.602 nan 8.210 nan 0.000 0.458 109 D N 7.634 128.193 120.400 0.265 0.000 2.393 109 D HA 0.135 4.775 4.640 -0.000 0.000 0.232 109 D C -0.185 176.198 176.300 0.140 0.000 1.192 109 D CA -0.105 54.027 54.000 0.219 0.000 0.882 109 D CB 0.705 41.672 40.800 0.278 0.000 1.038 109 D HN 0.355 nan 8.370 nan 0.000 0.499 110 E N 3.847 124.111 120.200 0.107 0.000 2.318 110 E HA 0.169 4.519 4.350 -0.000 0.000 0.265 110 E C -1.684 174.958 176.600 0.069 0.000 1.069 110 E CA -1.732 54.720 56.400 0.086 0.000 0.893 110 E CB 0.891 30.642 29.700 0.085 0.000 1.076 110 E HN 0.278 nan 8.360 nan 0.000 0.414 111 P HA -0.197 nan 4.420 nan 0.000 0.215 111 P C 0.716 178.035 177.300 0.032 0.000 1.157 111 P CA 1.498 64.620 63.100 0.037 0.000 0.874 111 P CB 0.005 31.724 31.700 0.033 0.000 0.790 112 N N -1.048 117.680 118.700 0.046 0.000 2.666 112 N HA -0.026 4.714 4.740 -0.000 0.000 0.194 112 N C 1.284 176.840 175.510 0.076 0.000 1.220 112 N CA 1.305 54.386 53.050 0.051 0.000 0.928 112 N CB -1.397 37.127 38.487 0.061 0.000 0.997 112 N HN 0.255 nan 8.380 nan 0.000 0.447 113 G N -0.423 108.424 108.800 0.078 0.000 2.267 113 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.257 113 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.257 113 G C -0.149 174.868 174.900 0.195 0.000 0.998 113 G CA 0.389 45.571 45.100 0.136 0.000 0.620 113 G HN 0.731 nan 8.290 nan 0.000 0.529 114 E N 1.208 121.493 120.200 0.141 0.000 2.217 114 E HA 0.473 4.823 4.350 -0.000 0.000 0.279 114 E C 0.713 177.366 176.600 0.087 0.000 1.068 114 E CA -0.654 55.815 56.400 0.115 0.000 0.882 114 E CB 0.100 29.863 29.700 0.105 0.000 1.039 114 E HN 0.785 nan 8.360 nan 0.000 0.418 115 L N 2.109 123.368 121.223 0.060 0.000 2.334 115 L HA 0.657 4.997 4.340 -0.000 0.000 0.272 115 L C -0.595 176.320 176.870 0.075 0.000 1.020 115 L CA -0.855 54.022 54.840 0.061 0.000 0.812 115 L CB 2.097 44.157 42.059 0.002 0.000 1.264 115 L HN 0.223 nan 8.230 nan 0.000 0.439 116 T N 2.677 117.299 114.554 0.114 0.000 2.758 116 T HA 0.512 4.862 4.350 -0.000 0.000 0.285 116 T C -0.515 174.299 174.700 0.190 0.000 0.981 116 T CA -0.383 61.803 62.100 0.142 0.000 0.965 116 T CB 1.546 70.502 68.868 0.146 0.000 0.927 116 T HN 0.591 nan 8.240 nan 0.000 0.448 117 V N 5.060 125.115 119.914 0.235 0.000 2.680 117 V HA 0.746 4.866 4.120 -0.000 0.000 0.309 117 V C -1.259 175.074 176.094 0.398 0.000 1.052 117 V CA -0.994 61.497 62.300 0.318 0.000 0.908 117 V CB 1.560 33.533 31.823 0.251 0.000 1.001 117 V HN 0.872 nan 8.190 nan 0.000 0.431 118 I N 5.271 126.107 120.570 0.442 0.000 2.418 118 I HA 0.454 4.624 4.170 -0.000 0.000 0.287 118 I C 0.067 176.412 176.117 0.379 0.000 1.008 118 I CA -0.294 61.258 61.300 0.419 0.000 1.104 118 I CB 2.439 40.690 38.000 0.418 0.000 1.264 118 I HN 0.825 nan 8.210 nan 0.000 0.438 119 T N 1.833 116.571 114.554 0.307 0.000 2.837 119 T HA 0.471 4.821 4.350 -0.000 0.000 0.285 119 T C -0.124 174.567 174.700 -0.014 0.000 0.984 119 T CA -0.993 61.191 62.100 0.140 0.000 1.049 119 T CB 1.101 70.073 68.868 0.173 0.000 0.947 119 T HN 0.549 nan 8.240 nan 0.000 0.472 120 E N 1.940 121.915 120.200 -0.376 0.000 2.459 120 E HA 0.130 4.480 4.350 -0.000 0.000 0.264 120 E C 0.730 177.279 176.600 -0.086 0.000 1.055 120 E CA -0.132 55.963 56.400 -0.508 0.000 0.957 120 E CB 0.205 29.355 29.700 -0.916 0.000 0.952 120 E HN 0.646 nan 8.360 nan 0.000 0.448 121 S N 1.621 117.349 115.700 0.047 0.000 2.634 121 S HA 0.184 4.654 4.470 -0.000 0.000 0.221 121 S C 0.780 175.395 174.600 0.025 0.000 0.952 121 S CA -0.573 57.649 58.200 0.037 0.000 0.930 121 S CB 0.059 63.254 63.200 -0.008 0.000 0.780 121 S HN 0.452 nan 8.310 nan 0.000 0.498 122 R N 0.045 120.544 120.500 -0.001 0.000 2.453 122 R HA 0.350 4.690 4.340 -0.000 0.000 0.233 122 R C 1.331 177.487 176.300 -0.240 0.000 0.895 122 R CA 0.721 56.737 56.100 -0.140 0.000 1.028 122 R CB 0.167 30.269 30.300 -0.330 0.000 1.255 122 R HN 0.577 nan 8.270 nan 0.000 0.571 123 G N 0.779 109.477 108.800 -0.169 0.000 2.138 123 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.193 123 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.193 123 G C 0.571 175.446 174.900 -0.042 0.000 0.998 123 G CA -0.089 44.964 45.100 -0.078 0.000 0.668 123 G HN 0.283 nan 8.290 nan 0.000 0.516 124 F N 0.871 120.864 119.950 0.071 0.000 2.407 124 F HA 0.336 4.863 4.527 -0.000 0.000 0.299 124 F C 1.809 177.639 175.800 0.050 0.000 1.097 124 F CA 1.385 59.440 58.000 0.091 0.000 1.422 124 F CB 0.608 39.645 39.000 0.062 0.000 1.067 124 F HN 0.282 nan 8.300 nan 0.000 0.539 125 S N 0.232 116.045 115.700 0.187 0.000 2.312 125 S HA 0.352 4.822 4.470 -0.000 0.000 0.173 125 S C -2.735 171.964 174.600 0.165 0.000 1.488 125 S CA -1.511 56.796 58.200 0.177 0.000 1.239 125 S CB 0.188 63.485 63.200 0.163 0.000 1.215 125 S HN -0.262 nan 8.310 nan 0.000 0.438 126 P HA 0.195 nan 4.420 nan 0.000 0.267 126 P C -1.049 176.364 177.300 0.188 0.000 1.209 126 P CA -0.173 63.029 63.100 0.171 0.000 0.763 126 P CB 0.875 32.719 31.700 0.240 0.000 0.816 127 V N 4.955 124.918 119.914 0.082 0.000 2.495 127 V HA 0.342 4.462 4.120 -0.000 0.000 0.298 127 V C -0.222 175.826 176.094 -0.077 0.000 1.031 127 V CA -0.459 61.878 62.300 0.061 0.000 0.871 127 V CB 1.441 33.303 31.823 0.064 0.000 0.988 127 V HN 0.571 nan 8.190 nan 0.000 0.432 128 H N 1.720 120.762 119.070 -0.047 0.000 2.621 128 H HA 0.722 5.278 4.556 -0.000 0.000 0.360 128 H C -0.730 174.548 175.328 -0.083 0.000 1.163 128 H CA -0.531 55.481 56.048 -0.061 0.000 1.194 128 H CB 2.145 31.876 29.762 -0.051 0.000 1.649 128 H HN 0.402 nan 8.280 nan 0.000 0.532 129 V N 3.245 123.171 119.914 0.020 0.000 2.378 129 V HA 0.293 4.413 4.120 -0.000 0.000 0.288 129 V C -0.714 175.380 176.094 0.000 0.000 1.016 129 V CA -0.608 61.682 62.300 -0.016 0.000 0.840 129 V CB 1.570 33.344 31.823 -0.081 0.000 0.994 129 V HN 0.518 nan 8.190 nan 0.000 0.431 130 V N 5.619 125.547 119.914 0.024 0.000 2.555 130 V HA 0.655 4.775 4.120 -0.000 0.000 0.302 130 V C -0.483 175.609 176.094 -0.004 0.000 1.038 130 V CA -0.559 61.722 62.300 -0.032 0.000 0.887 130 V CB 2.054 33.816 31.823 -0.101 0.000 0.991 130 V HN 0.929 nan 8.190 nan 0.000 0.434 131 Q N 4.769 124.507 119.800 -0.103 0.000 2.430 131 Q HA 0.681 5.021 4.340 -0.000 0.000 0.245 131 Q C 0.039 175.939 176.000 -0.168 0.000 1.021 131 Q CA 0.583 56.332 55.803 -0.091 0.000 0.867 131 Q CB 0.920 29.585 28.738 -0.123 0.000 1.210 131 Q HN 1.036 nan 8.270 nan 0.000 0.487 132 G N 2.402 111.190 108.800 -0.019 0.000 3.099 132 G HA2 0.171 4.131 3.960 -0.000 0.000 0.151 132 G HA3 0.171 4.131 3.960 -0.000 0.000 0.151 132 G C 0.030 174.953 174.900 0.038 0.000 1.265 132 G CA -0.470 44.596 45.100 -0.056 0.000 0.981 132 G HN 0.567 nan 8.290 nan 0.000 0.601 133 K N -0.098 120.361 120.400 0.097 0.000 2.147 133 K HA 0.023 4.343 4.320 -0.000 0.000 0.205 133 K C 0.581 177.248 176.600 0.111 0.000 1.049 133 K CA 1.045 57.392 56.287 0.101 0.000 0.936 133 K CB -0.057 32.509 32.500 0.109 0.000 0.722 133 K HN 0.131 nan 8.250 nan 0.000 0.446 134 K N -0.504 120.001 120.400 0.175 0.000 2.395 134 K HA 0.502 4.822 4.320 -0.000 0.000 0.245 134 K C -1.310 175.356 176.600 0.110 0.000 1.017 134 K CA -0.886 55.456 56.287 0.090 0.000 0.852 134 K CB 2.057 34.533 32.500 -0.039 0.000 1.311 134 K HN -0.066 nan 8.250 nan 0.000 0.452 135 A N 1.062 123.891 122.820 0.015 0.000 2.328 135 A HA 0.465 4.785 4.320 -0.000 0.000 0.284 135 A C -1.522 175.984 177.584 -0.132 0.000 1.160 135 A CA -0.198 51.851 52.037 0.020 0.000 0.818 135 A CB -0.155 18.849 19.000 0.007 0.000 1.087 135 A HN 0.546 nan 8.150 nan 0.000 0.504 136 W N 1.164 122.430 121.300 -0.056 0.000 2.761 136 W HA 0.670 5.330 4.660 -0.000 0.000 0.340 136 W C -0.065 176.390 176.519 -0.106 0.000 1.072 136 W CA -0.474 56.824 57.345 -0.078 0.000 1.215 136 W CB 1.868 31.264 29.460 -0.106 0.000 1.420 136 W HN 0.519 nan 8.180 nan 0.000 0.519 137 M N 3.251 122.906 119.600 0.091 0.000 2.197 137 M HA 0.549 5.029 4.480 -0.000 0.000 0.301 137 M C -0.975 175.271 176.300 -0.090 0.000 0.987 137 M CA 0.014 55.305 55.300 -0.014 0.000 0.921 137 M CB 1.885 34.445 32.600 -0.068 0.000 1.569 137 M HN 0.495 nan 8.290 nan 0.000 0.431 138 T N 1.825 116.281 114.554 -0.162 0.000 2.840 138 T HA 0.386 4.736 4.350 -0.000 0.000 0.317 138 T C -0.561 173.948 174.700 -0.317 0.000 1.401 138 T CA -0.608 61.252 62.100 -0.399 0.000 1.028 138 T CB 1.024 69.753 68.868 -0.231 0.000 1.317 138 T HN 0.817 nan 8.240 nan 0.000 0.495 139 N N 1.085 119.520 118.700 -0.442 0.000 2.275 139 N HA 0.272 5.012 4.740 -0.000 0.000 0.236 139 N C -0.519 174.973 175.510 -0.031 0.000 1.154 139 N CA -0.419 52.606 53.050 -0.042 0.000 0.866 139 N CB 0.844 39.448 38.487 0.196 0.000 1.093 139 N HN 0.267 nan 8.380 nan 0.000 0.515 140 S N 0.417 115.996 115.700 -0.202 0.000 2.511 140 S HA 0.335 4.805 4.470 -0.000 0.000 0.233 140 S C 0.606 175.015 174.600 -0.320 0.000 1.104 140 S CA -0.642 57.390 58.200 -0.281 0.000 1.129 140 S CB -0.251 62.689 63.200 -0.434 0.000 1.159 140 S HN 0.202 nan 8.310 nan 0.000 0.451 141 L N 4.057 125.107 121.223 -0.287 0.000 2.187 141 L HA -0.142 4.198 4.340 -0.000 0.000 0.213 141 L C 2.575 179.246 176.870 -0.332 0.000 1.100 141 L CA 1.539 56.187 54.840 -0.320 0.000 0.765 141 L CB -0.406 41.467 42.059 -0.309 0.000 0.904 141 L HN 0.679 nan 8.230 nan 0.000 0.437 142 K N 0.453 120.655 120.400 -0.330 0.000 2.362 142 K HA -0.126 4.194 4.320 -0.000 0.000 0.200 142 K C 1.839 178.229 176.600 -0.350 0.000 1.046 142 K CA 1.078 57.199 56.287 -0.277 0.000 0.952 142 K CB -0.229 32.137 32.500 -0.224 0.000 0.753 142 K HN 0.333 nan 8.250 nan 0.000 0.466 143 L N 1.115 122.032 121.223 -0.510 0.000 2.156 143 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 143 L C 2.318 178.843 176.870 -0.575 0.000 1.095 143 L CA 0.498 55.010 54.840 -0.547 0.000 0.770 143 L CB -0.292 41.474 42.059 -0.488 0.000 0.914 143 L HN 0.019 nan 8.230 nan 0.000 0.439 144 V N -0.839 118.674 119.914 -0.667 0.000 2.453 144 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 144 V C 2.514 178.236 176.094 -0.620 0.000 1.048 144 V CA 2.109 63.824 62.300 -0.976 0.000 1.049 144 V CB -0.600 30.706 31.823 -0.862 0.000 0.672 144 V HN 0.427 nan 8.190 nan 0.000 0.457 145 T N 0.468 114.796 114.554 -0.377 0.000 2.777 145 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 145 T C 2.072 176.677 174.700 -0.159 0.000 1.040 145 T CA 1.555 63.527 62.100 -0.213 0.000 1.141 145 T CB -0.367 68.434 68.868 -0.112 0.000 0.868 145 T HN 0.552 nan 8.240 nan 0.000 0.444 146 A N 1.070 123.816 122.820 -0.124 0.000 1.972 146 A HA 0.152 4.472 4.320 -0.000 0.000 0.219 146 A C 2.486 180.000 177.584 -0.117 0.000 1.169 146 A CA 1.839 53.851 52.037 -0.043 0.000 0.635 146 A CB -0.771 18.317 19.000 0.146 0.000 0.810 146 A HN 0.514 nan 8.150 nan 0.000 0.446 147 A N -0.706 121.974 122.820 -0.234 0.000 1.903 147 A HA 0.039 4.359 4.320 -0.000 0.000 0.213 147 A C 1.830 179.356 177.584 -0.097 0.000 1.185 147 A CA 1.216 53.148 52.037 -0.176 0.000 0.628 147 A CB -0.149 18.687 19.000 -0.273 0.000 0.830 147 A HN 0.533 nan 8.150 nan 0.000 0.446 148 E N -1.298 118.804 120.200 -0.164 0.000 2.473 148 E HA 0.389 4.739 4.350 -0.000 0.000 0.204 148 E C 0.628 177.197 176.600 -0.052 0.000 0.994 148 E CA 0.257 56.614 56.400 -0.072 0.000 0.945 148 E CB 0.560 30.212 29.700 -0.079 0.000 0.990 148 E HN 0.644 nan 8.360 nan 0.000 0.493 149 G N 1.797 110.554 108.800 -0.072 0.000 2.423 149 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.684 149 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.684 149 G C 0.134 175.017 174.900 -0.029 0.000 1.309 149 G CA -0.162 44.917 45.100 -0.036 0.000 0.950 149 G HN 0.113 nan 8.290 nan 0.000 0.587 150 E N -0.520 119.677 120.200 -0.004 0.000 2.160 150 E HA -0.072 4.278 4.350 -0.000 0.000 0.195 150 E C 2.221 178.849 176.600 0.047 0.000 0.991 150 E CA 1.871 58.281 56.400 0.016 0.000 0.810 150 E CB -0.521 29.187 29.700 0.014 0.000 0.742 150 E HN 0.934 nan 8.360 nan 0.000 0.466 151 G N -0.373 108.461 108.800 0.057 0.000 2.985 151 G HA2 0.124 4.084 3.960 -0.000 0.000 0.209 151 G HA3 0.124 4.084 3.960 -0.000 0.000 0.209 151 G C 1.342 176.346 174.900 0.173 0.000 1.165 151 G CA 0.393 45.563 45.100 0.117 0.000 0.776 151 G HN 0.342 nan 8.290 nan 0.000 0.541 152 A N 0.379 123.224 122.820 0.042 0.000 1.908 152 A HA 0.156 4.476 4.320 -0.000 0.000 0.218 152 A C 1.185 178.657 177.584 -0.186 0.000 1.181 152 A CA 0.562 52.558 52.037 -0.068 0.000 0.627 152 A CB -0.206 18.689 19.000 -0.175 0.000 0.818 152 A HN 0.341 nan 8.150 nan 0.000 0.445 153 L N -0.152 120.968 121.223 -0.171 0.000 2.275 153 L HA 0.282 4.622 4.340 -0.000 0.000 0.288 153 L C -1.000 175.730 176.870 -0.234 0.000 1.046 153 L CA -0.796 53.804 54.840 -0.400 0.000 0.805 153 L CB 0.930 42.623 42.059 -0.610 0.000 1.193 153 L HN 0.379 nan 8.230 nan 0.000 0.426 154 W N 3.502 124.515 121.300 -0.479 0.000 2.291 154 W HA 0.403 5.063 4.660 -0.000 0.000 0.312 154 W C -0.515 175.773 176.519 -0.386 0.000 1.061 154 W CA -1.326 55.834 57.345 -0.309 0.000 1.296 154 W CB 0.215 29.581 29.460 -0.157 0.000 1.223 154 W HN 0.162 nan 8.180 nan 0.000 0.421 155 F N 2.203 122.271 119.950 0.196 0.000 2.394 155 F HA 0.216 4.743 4.527 -0.000 0.000 0.340 155 F C 1.284 177.184 175.800 0.166 0.000 1.105 155 F CA -0.591 57.511 58.000 0.170 0.000 1.124 155 F CB 0.759 39.828 39.000 0.116 0.000 1.145 155 F HN 0.113 nan 8.300 nan 0.000 0.505 156 E N 1.668 122.092 120.200 0.373 0.000 2.392 156 E HA 0.028 4.378 4.350 -0.000 0.000 0.259 156 E C -0.120 176.659 176.600 0.298 0.000 1.108 156 E CA -0.231 56.320 56.400 0.252 0.000 0.916 156 E CB 0.585 30.385 29.700 0.166 0.000 0.989 156 E HN 0.468 nan 8.360 nan 0.000 0.432 157 E N 1.721 122.037 120.200 0.194 0.000 2.465 157 E HA -0.107 4.243 4.350 -0.000 0.000 0.260 157 E C 1.189 177.928 176.600 0.231 0.000 0.980 157 E CA 0.355 56.860 56.400 0.175 0.000 0.927 157 E CB 0.472 30.235 29.700 0.106 0.000 0.934 157 E HN 0.517 nan 8.360 nan 0.000 0.459 158 E N 3.109 123.479 120.200 0.283 0.000 2.160 158 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 158 E C 1.546 178.248 176.600 0.170 0.000 0.991 158 E CA 1.367 57.971 56.400 0.339 0.000 0.810 158 E CB -0.089 29.795 29.700 0.306 0.000 0.742 158 E HN 0.451 nan 8.360 nan 0.000 0.466 159 A N 1.466 124.358 122.820 0.120 0.000 1.972 159 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 159 A C 2.206 179.824 177.584 0.057 0.000 1.169 159 A CA 0.971 53.053 52.037 0.076 0.000 0.635 159 A CB -0.220 18.816 19.000 0.059 0.000 0.810 159 A HN 0.246 nan 8.150 nan 0.000 0.446 160 L N -0.690 120.573 121.223 0.066 0.000 2.446 160 L HA 0.026 4.366 4.340 -0.000 0.000 0.219 160 L C 2.245 179.131 176.870 0.026 0.000 1.116 160 L CA 0.921 55.789 54.840 0.048 0.000 0.844 160 L CB -0.771 41.326 42.059 0.063 0.000 0.970 160 L HN 0.243 nan 8.230 nan 0.000 0.457 161 V N -1.109 118.812 119.914 0.012 0.000 2.403 161 V HA -0.142 3.978 4.120 -0.000 0.000 0.239 161 V C 2.045 178.074 176.094 -0.108 0.000 1.041 161 V CA 0.989 63.237 62.300 -0.087 0.000 1.051 161 V CB -0.177 31.440 31.823 -0.343 0.000 0.704 161 V HN 0.411 nan 8.190 nan 0.000 0.472 162 C N 2.019 121.296 119.300 -0.038 0.000 2.507 162 C HA 0.028 4.488 4.460 -0.000 0.000 0.301 162 C C 2.386 177.389 174.990 0.021 0.000 1.351 162 C CA 0.290 59.320 59.018 0.021 0.000 1.650 162 C CB -2.178 25.618 27.740 0.094 0.000 1.676 162 C HN 0.759 nan 8.230 nan 0.000 0.594 163 Q N 0.142 119.935 119.800 -0.011 0.000 2.398 163 Q HA 0.087 4.427 4.340 -0.000 0.000 0.204 163 Q C 0.731 176.718 176.000 -0.022 0.000 0.932 163 Q CA 0.808 56.607 55.803 -0.006 0.000 0.916 163 Q CB 0.215 28.948 28.738 -0.008 0.000 1.024 163 Q HN 0.431 nan 8.270 nan 0.000 0.504 164 S N 0.047 115.710 115.700 -0.061 0.000 2.538 164 S HA 0.422 4.892 4.470 -0.000 0.000 0.288 164 S C 0.252 174.823 174.600 -0.049 0.000 1.108 164 S CA -0.939 57.221 58.200 -0.067 0.000 0.971 164 S CB 1.389 64.515 63.200 -0.124 0.000 1.041 164 S HN 0.431 nan 8.310 nan 0.000 0.483 165 L N 1.560 122.793 121.223 0.017 0.000 2.477 165 L HA 0.551 4.891 4.340 -0.000 0.000 0.220 165 L C 0.115 177.092 176.870 0.179 0.000 1.106 165 L CA 0.120 55.018 54.840 0.098 0.000 0.851 165 L CB -0.132 41.975 42.059 0.080 0.000 0.994 165 L HN 0.393 nan 8.230 nan 0.000 0.462 166 M N 1.578 121.231 119.600 0.088 0.000 2.227 166 M HA 0.532 5.011 4.480 -0.000 0.000 0.335 166 M C -0.719 175.563 176.300 -0.030 0.000 1.053 166 M CA -0.028 55.361 55.300 0.147 0.000 0.973 166 M CB 1.670 34.331 32.600 0.102 0.000 1.623 166 M HN 0.172 nan 8.290 nan 0.000 0.434 167 R N 0.597 121.055 120.500 -0.070 0.000 2.836 167 R HA 0.870 5.210 4.340 -0.000 0.000 0.269 167 R C -0.465 175.788 176.300 -0.078 0.000 1.010 167 R CA -0.886 54.983 56.100 -0.386 0.000 0.930 167 R CB 1.834 31.445 30.300 -1.149 0.000 1.218 167 R HN 0.813 nan 8.270 nan 0.000 0.473 168 A N 0.753 123.568 122.820 -0.007 0.000 2.406 168 A HA 0.030 4.350 4.320 -0.000 0.000 0.243 168 A C 0.383 178.107 177.584 0.234 0.000 1.082 168 A CA 0.052 52.234 52.037 0.242 0.000 0.786 168 A CB 0.070 19.168 19.000 0.164 0.000 1.029 168 A HN 0.908 nan 8.150 nan 0.000 0.495 169 D N -0.263 120.324 120.400 0.313 0.000 2.378 169 D HA -0.090 4.550 4.640 -0.000 0.000 0.227 169 D C 1.015 177.401 176.300 0.144 0.000 1.012 169 D CA 1.259 55.344 54.000 0.142 0.000 0.905 169 D CB -0.603 40.067 40.800 -0.217 0.000 0.895 169 D HN 0.468 nan 8.370 nan 0.000 0.532 170 T N -4.475 110.157 114.554 0.131 0.000 3.085 170 T HA 0.108 4.458 4.350 -0.000 0.000 0.264 170 T C 0.208 174.940 174.700 0.053 0.000 1.019 170 T CA -0.840 61.302 62.100 0.071 0.000 0.910 170 T CB -0.876 68.024 68.868 0.054 0.000 1.059 170 T HN 0.134 nan 8.240 nan 0.000 0.542 171 Y N 2.582 122.857 120.300 -0.041 0.000 2.425 171 Y HA 0.466 5.016 4.550 -0.000 0.000 0.331 171 Y C 0.190 176.106 175.900 0.026 0.000 1.157 171 Y CA 0.326 58.374 58.100 -0.085 0.000 1.372 171 Y CB 0.835 39.126 38.460 -0.281 0.000 1.253 171 Y HN 0.196 nan 8.280 nan 0.000 0.536 172 T N 7.457 121.457 114.554 -0.923 0.000 2.933 172 T HA 0.366 4.716 4.350 -0.000 0.000 0.305 172 T C -2.421 171.721 174.700 -0.930 0.000 1.092 172 T CA -1.802 59.943 62.100 -0.592 0.000 1.008 172 T CB 1.768 70.603 68.868 -0.056 0.000 1.102 172 T HN 0.560 nan 8.240 nan 0.000 0.469 173 P HA 0.199 nan 4.420 nan 0.000 0.249 173 P C 0.009 177.278 177.300 -0.052 0.000 1.229 173 P CA 0.001 62.896 63.100 -0.342 0.000 0.788 173 P CB 0.176 31.640 31.700 -0.394 0.000 1.072 174 V N 2.065 121.905 119.914 -0.123 0.000 2.353 174 V HA 0.117 4.237 4.120 -0.000 0.000 0.264 174 V C 1.741 177.744 176.094 -0.151 0.000 1.049 174 V CA -0.117 62.068 62.300 -0.192 0.000 0.896 174 V CB 0.715 32.377 31.823 -0.269 0.000 1.025 174 V HN -0.001 nan 8.190 nan 0.000 0.475 175 K N 3.349 123.707 120.400 -0.071 0.000 2.074 175 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 175 K C 1.360 177.922 176.600 -0.064 0.000 1.048 175 K CA 1.760 58.044 56.287 -0.005 0.000 0.926 175 K CB -0.084 32.502 32.500 0.144 0.000 0.713 175 K HN 0.823 nan 8.250 nan 0.000 0.444 176 N N 0.337 118.926 118.700 -0.185 0.000 2.346 176 N HA 0.094 4.834 4.740 -0.000 0.000 0.225 176 N C -0.569 174.783 175.510 -0.264 0.000 1.144 176 N CA 0.029 52.875 53.050 -0.340 0.000 0.837 176 N CB 0.492 38.485 38.487 -0.823 0.000 1.069 176 N HN 0.028 nan 8.380 nan 0.000 0.487 177 A N -0.293 122.425 122.820 -0.170 0.000 2.532 177 A HA 0.634 4.954 4.320 -0.000 0.000 0.290 177 A C -1.257 176.292 177.584 -0.058 0.000 1.143 177 A CA -0.729 51.247 52.037 -0.101 0.000 0.728 177 A CB 1.948 20.907 19.000 -0.070 0.000 1.317 177 A HN 0.245 nan 8.150 nan 0.000 0.414 178 Q N 0.378 120.160 119.800 -0.030 0.000 2.323 178 Q HA 0.494 4.834 4.340 -0.000 0.000 0.271 178 Q C -0.948 174.982 176.000 -0.118 0.000 1.048 178 Q CA -0.631 55.132 55.803 -0.066 0.000 0.792 178 Q CB 1.765 30.456 28.738 -0.079 0.000 1.280 178 Q HN 0.744 nan 8.270 nan 0.000 0.441 179 R N 4.752 125.138 120.500 -0.190 0.000 2.221 179 R HA 0.353 4.693 4.340 -0.000 0.000 0.327 179 R C -0.766 175.398 176.300 -0.227 0.000 1.033 179 R CA -0.316 55.541 56.100 -0.405 0.000 0.887 179 R CB 0.464 30.571 30.300 -0.322 0.000 1.057 179 R HN 0.612 nan 8.270 nan 0.000 0.455 180 L N 4.838 125.908 121.223 -0.256 0.000 2.410 180 L HA 0.158 4.498 4.340 -0.000 0.000 0.273 180 L C 0.707 177.560 176.870 -0.028 0.000 1.144 180 L CA -0.038 54.677 54.840 -0.209 0.000 0.863 180 L CB 0.641 42.399 42.059 -0.501 0.000 1.140 180 L HN 0.581 nan 8.230 nan 0.000 0.463 181 K N 5.202 125.684 120.400 0.137 0.000 2.472 181 K HA 0.083 4.403 4.320 -0.000 0.000 0.280 181 K C -2.273 174.416 176.600 0.147 0.000 1.028 181 K CA -1.201 55.165 56.287 0.132 0.000 1.045 181 K CB 0.572 33.154 32.500 0.137 0.000 0.902 181 K HN 0.212 nan 8.250 nan 0.000 0.478 182 P HA 0.046 nan 4.420 nan 0.000 0.271 182 P C -0.511 176.822 177.300 0.055 0.000 1.218 182 P CA 0.319 63.451 63.100 0.054 0.000 0.780 182 P CB 0.855 32.557 31.700 0.003 0.000 0.901 183 G N 1.009 109.845 108.800 0.061 0.000 2.324 183 G HA2 0.092 4.052 3.960 -0.000 0.000 0.292 183 G HA3 0.092 4.052 3.960 -0.000 0.000 0.292 183 G C -0.055 174.862 174.900 0.028 0.000 1.079 183 G CA 0.021 45.146 45.100 0.042 0.000 1.026 183 G HN 0.794 nan 8.290 nan 0.000 0.506 184 A N -1.310 121.531 122.820 0.035 0.000 2.606 184 A HA 0.926 5.246 4.320 -0.000 0.000 0.293 184 A C -0.385 177.049 177.584 -0.251 0.000 1.082 184 A CA 0.057 52.011 52.037 -0.139 0.000 0.685 184 A CB 2.057 20.907 19.000 -0.250 0.000 1.284 184 A HN 1.826 nan 8.150 nan 0.000 0.408 185 V N 2.778 122.516 119.914 -0.292 0.000 2.472 185 V HA 0.682 4.802 4.120 -0.000 0.000 0.290 185 V C -0.942 174.932 176.094 -0.366 0.000 1.037 185 V CA -0.278 61.940 62.300 -0.136 0.000 0.908 185 V CB 1.167 33.021 31.823 0.053 0.000 0.985 185 V HN 0.877 nan 8.190 nan 0.000 0.454 186 H N 4.671 123.791 119.070 0.083 0.000 2.771 186 H HA 0.498 5.054 4.556 -0.000 0.000 0.361 186 H C -1.041 174.302 175.328 0.025 0.000 1.108 186 H CA -0.552 55.511 56.048 0.025 0.000 1.201 186 H CB 2.082 31.847 29.762 0.005 0.000 1.681 186 H HN 0.572 nan 8.280 nan 0.000 0.534 187 V N 4.563 124.530 119.914 0.089 0.000 2.417 187 V HA 0.235 4.355 4.120 -0.000 0.000 0.291 187 V C -0.970 175.111 176.094 -0.023 0.000 1.024 187 V CA -0.723 61.608 62.300 0.050 0.000 0.861 187 V CB 1.060 32.911 31.823 0.047 0.000 0.985 187 V HN 0.460 nan 8.190 nan 0.000 0.436 188 L N 7.737 128.941 121.223 -0.030 0.000 2.328 188 L HA 0.448 4.788 4.340 -0.000 0.000 0.280 188 L C 0.884 177.682 176.870 -0.120 0.000 1.111 188 L CA 0.592 55.364 54.840 -0.113 0.000 0.909 188 L CB 0.826 42.817 42.059 -0.113 0.000 1.277 188 L HN 0.940 nan 8.230 nan 0.000 0.433 189 T N -0.942 113.529 114.554 -0.137 0.000 2.897 189 T HA 0.656 5.006 4.350 -0.000 0.000 0.278 189 T C -0.285 174.252 174.700 -0.271 0.000 0.981 189 T CA -0.613 61.453 62.100 -0.056 0.000 0.973 189 T CB 1.212 70.123 68.868 0.072 0.000 1.092 189 T HN 0.439 nan 8.240 nan 0.000 0.543 190 H N 0.190 119.245 119.070 -0.025 0.000 2.759 190 H HA 0.476 5.032 4.556 -0.000 0.000 0.354 190 H C -0.574 174.775 175.328 0.033 0.000 1.074 190 H CA -0.641 55.387 56.048 -0.033 0.000 1.226 190 H CB 1.358 31.040 29.762 -0.133 0.000 1.648 190 H HN 0.877 nan 8.280 nan 0.000 0.529 191 D N 0.075 120.554 120.400 0.132 0.000 2.440 191 D HA 0.033 4.673 4.640 -0.000 0.000 0.269 191 D C 1.333 177.685 176.300 0.087 0.000 1.249 191 D CA -0.170 53.883 54.000 0.088 0.000 1.055 191 D CB 0.118 40.941 40.800 0.039 0.000 1.104 191 D HN 0.431 nan 8.370 nan 0.000 0.561 192 S N -1.478 114.258 115.700 0.061 0.000 2.440 192 S HA -0.186 4.284 4.470 -0.000 0.000 0.238 192 S C 1.119 175.750 174.600 0.052 0.000 1.010 192 S CA 0.837 59.067 58.200 0.050 0.000 0.972 192 S CB -0.400 62.821 63.200 0.035 0.000 0.774 192 S HN 0.470 nan 8.310 nan 0.000 0.501 193 E N 0.554 120.804 120.200 0.083 0.000 2.476 193 E HA 0.276 4.626 4.350 -0.000 0.000 0.196 193 E C 1.243 177.779 176.600 -0.105 0.000 1.029 193 E CA 0.451 56.878 56.400 0.045 0.000 0.896 193 E CB 0.231 30.046 29.700 0.191 0.000 1.012 193 E HN 0.681 nan 8.360 nan 0.000 0.475 194 G N 1.103 109.890 108.800 -0.022 0.000 2.143 194 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.249 194 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.249 194 G C -0.157 174.729 174.900 -0.025 0.000 0.981 194 G CA -0.027 45.059 45.100 -0.024 0.000 0.665 194 G HN 0.201 nan 8.290 nan 0.000 0.528 195 Y N 1.246 121.602 120.300 0.094 0.000 2.319 195 Y HA 0.543 5.093 4.550 -0.000 0.000 0.328 195 Y C 1.225 177.087 175.900 -0.063 0.000 1.133 195 Y CA 0.161 58.285 58.100 0.040 0.000 1.265 195 Y CB 1.363 39.826 38.460 0.006 0.000 1.218 195 Y HN 0.170 nan 8.280 nan 0.000 0.508 196 S N 3.920 119.618 115.700 -0.004 0.000 2.537 196 S HA 0.226 4.696 4.470 -0.000 0.000 0.286 196 S C -1.073 173.509 174.600 -0.029 0.000 1.299 196 S CA -0.177 57.843 58.200 -0.300 0.000 1.067 196 S CB -0.337 62.726 63.200 -0.228 0.000 0.864 196 S HN 0.449 nan 8.310 nan 0.000 0.494 197 F N 5.902 125.687 119.950 -0.276 0.000 2.671 197 F HA 0.479 5.006 4.527 -0.000 0.000 0.332 197 F C -1.057 174.666 175.800 -0.129 0.000 1.189 197 F CA -0.972 56.942 58.000 -0.143 0.000 0.988 197 F CB 1.159 40.105 39.000 -0.090 0.000 1.258 197 F HN 0.329 nan 8.300 nan 0.000 0.471 198 V N 5.815 125.385 119.914 -0.573 0.000 2.406 198 V HA 0.300 4.420 4.120 -0.000 0.000 0.272 198 V C -0.341 175.360 176.094 -0.655 0.000 1.043 198 V CA -0.509 61.510 62.300 -0.469 0.000 0.915 198 V CB 1.203 32.877 31.823 -0.248 0.000 0.988 198 V HN 0.637 nan 8.190 nan 0.000 0.466 199 E N 3.338 123.276 120.200 -0.437 0.000 2.092 199 E HA 0.476 4.826 4.350 -0.000 0.000 0.271 199 E C -0.678 175.848 176.600 -0.123 0.000 0.919 199 E CA -0.242 55.967 56.400 -0.318 0.000 0.760 199 E CB 1.478 31.061 29.700 -0.194 0.000 1.106 199 E HN 0.620 nan 8.360 nan 0.000 0.408 200 S N 2.689 118.330 115.700 -0.097 0.000 2.578 200 S HA 0.612 5.082 4.470 -0.000 0.000 0.301 200 S C -0.411 174.125 174.600 -0.106 0.000 1.091 200 S CA -0.782 57.367 58.200 -0.084 0.000 1.032 200 S CB 1.664 64.883 63.200 0.033 0.000 1.064 200 S HN 0.430 nan 8.310 nan 0.000 0.508 201 R N 0.902 121.300 120.500 -0.170 0.000 2.522 201 R HA 0.282 4.622 4.340 -0.000 0.000 0.273 201 R C -0.983 175.245 176.300 -0.120 0.000 1.133 201 R CA -0.284 55.755 56.100 -0.102 0.000 0.969 201 R CB 1.590 31.852 30.300 -0.064 0.000 1.235 201 R HN 0.672 nan 8.270 nan 0.000 0.433 202 T N 3.335 117.849 114.554 -0.067 0.000 2.930 202 T HA 0.182 4.532 4.350 -0.000 0.000 0.306 202 T C 1.235 175.912 174.700 -0.039 0.000 1.045 202 T CA -0.086 61.986 62.100 -0.047 0.000 1.134 202 T CB 0.414 69.275 68.868 -0.013 0.000 0.961 202 T HN 0.543 nan 8.240 nan 0.000 0.545 203 L N 3.936 125.141 121.223 -0.030 0.000 2.592 203 L HA 0.234 4.574 4.340 -0.000 0.000 0.227 203 L C 1.251 178.106 176.870 -0.025 0.000 1.127 203 L CA -0.092 54.737 54.840 -0.017 0.000 0.884 203 L CB -0.323 41.740 42.059 0.006 0.000 1.065 203 L HN 0.745 nan 8.230 nan 0.000 0.457 204 T N -3.474 111.062 114.554 -0.029 0.000 2.887 204 T HA 0.619 4.969 4.350 -0.000 0.000 0.292 204 T C -0.172 174.510 174.700 -0.030 0.000 1.087 204 T CA -0.546 61.531 62.100 -0.039 0.000 1.009 204 T CB 2.424 71.257 68.868 -0.058 0.000 1.203 204 T HN 0.011 nan 8.240 nan 0.000 0.518 205 T N -1.215 113.316 114.554 -0.038 0.000 2.906 205 T HA 0.729 5.079 4.350 -0.000 0.000 0.295 205 T C -2.955 171.719 174.700 -0.044 0.000 1.061 205 T CA -1.539 60.543 62.100 -0.030 0.000 1.000 205 T CB 0.431 69.283 68.868 -0.026 0.000 1.103 205 T HN 0.581 nan 8.240 nan 0.000 0.486 206 P HA 0.452 nan 4.420 nan 0.000 0.264 206 P C -0.407 176.850 177.300 -0.072 0.000 1.193 206 P CA -0.249 62.818 63.100 -0.054 0.000 0.763 206 P CB 0.134 31.820 31.700 -0.024 0.000 0.810 207 A N 2.776 125.511 122.820 -0.142 0.000 2.287 207 A HA 0.410 4.730 4.320 -0.000 0.000 0.273 207 A C 0.661 178.229 177.584 -0.026 0.000 1.091 207 A CA -0.343 51.621 52.037 -0.123 0.000 0.817 207 A CB 0.134 18.993 19.000 -0.235 0.000 1.069 207 A HN 0.534 nan 8.150 nan 0.000 0.492 208 S N -0.022 115.694 115.700 0.026 0.000 2.563 208 S HA 0.016 4.486 4.470 -0.000 0.000 0.284 208 S C 0.631 175.321 174.600 0.150 0.000 1.331 208 S CA -0.186 58.054 58.200 0.068 0.000 1.047 208 S CB -0.083 63.148 63.200 0.052 0.000 0.859 208 S HN 0.626 nan 8.310 nan 0.000 0.514 209 N N 1.883 120.648 118.700 0.110 0.000 2.205 209 N HA 0.088 4.828 4.740 -0.000 0.000 0.201 209 N C -0.449 175.068 175.510 0.012 0.000 1.128 209 N CA -0.050 53.049 53.050 0.082 0.000 0.867 209 N CB 0.210 38.733 38.487 0.061 0.000 0.996 209 N HN 0.600 nan 8.380 nan 0.000 0.503 210 Q N 0.963 120.779 119.800 0.027 0.000 2.330 210 Q HA 0.051 4.391 4.340 -0.000 0.000 0.279 210 Q C 0.124 176.127 176.000 0.005 0.000 1.024 210 Q CA -0.178 55.633 55.803 0.013 0.000 0.900 210 Q CB 0.804 29.558 28.738 0.026 0.000 1.221 210 Q HN 0.082 nan 8.270 nan 0.000 0.396 211 L N 2.346 123.560 121.223 -0.014 0.000 2.559 211 L HA -0.058 4.281 4.340 -0.000 0.000 0.282 211 L C 0.418 177.319 176.870 0.051 0.000 1.232 211 L CA 0.772 55.600 54.840 -0.021 0.000 0.885 211 L CB -0.193 41.821 42.059 -0.074 0.000 1.131 211 L HN 0.473 nan 8.230 nan 0.000 0.498 212 L N 4.252 125.523 121.223 0.080 0.000 2.270 212 L HA 0.381 4.721 4.340 -0.000 0.000 0.286 212 L C 0.374 177.358 176.870 0.190 0.000 1.059 212 L CA -0.481 54.428 54.840 0.115 0.000 0.839 212 L CB 0.688 42.806 42.059 0.099 0.000 1.221 212 L HN 0.814 nan 8.230 nan 0.000 0.431 213 A N 5.810 128.732 122.820 0.169 0.000 3.118 213 A HA 0.244 4.564 4.320 -0.000 0.000 0.256 213 A C -0.305 177.366 177.584 0.146 0.000 1.667 213 A CA -0.425 51.716 52.037 0.172 0.000 1.338 213 A CB -0.394 18.677 19.000 0.118 0.000 1.127 213 A HN 0.591 nan 8.150 nan 0.000 0.634 214 L N 1.777 123.113 121.223 0.188 0.000 2.319 214 L HA 0.470 4.810 4.340 -0.000 0.000 0.280 214 L C -2.262 174.706 176.870 0.163 0.000 1.099 214 L CA -1.705 53.215 54.840 0.133 0.000 0.828 214 L CB 0.483 42.593 42.059 0.086 0.000 1.150 214 L HN 0.202 nan 8.230 nan 0.000 0.442 215 P HA 0.053 nan 4.420 nan 0.000 0.269 215 P C 0.241 177.604 177.300 0.105 0.000 1.211 215 P CA -0.044 63.120 63.100 0.106 0.000 0.781 215 P CB 0.463 32.197 31.700 0.056 0.000 0.877 216 R N 1.629 122.208 120.500 0.132 0.000 2.082 216 R HA -0.191 4.149 4.340 -0.000 0.000 0.234 216 R C 1.755 178.068 176.300 0.022 0.000 1.136 216 R CA 1.819 57.976 56.100 0.094 0.000 0.935 216 R CB -0.343 30.034 30.300 0.130 0.000 0.842 216 R HN 0.512 nan 8.270 nan 0.000 0.430 217 E N -0.330 119.887 120.200 0.028 0.000 2.049 217 E HA -0.183 4.167 4.350 -0.000 0.000 0.198 217 E C -0.706 175.890 176.600 -0.006 0.000 1.007 217 E CA 1.718 58.127 56.400 0.014 0.000 0.809 217 E CB -0.831 28.878 29.700 0.016 0.000 0.749 217 E HN 0.438 nan 8.360 nan 0.000 0.450 218 P HA -0.153 nan 4.420 nan 0.000 0.218 218 P C 1.515 178.786 177.300 -0.049 0.000 1.148 218 P CA 0.794 63.881 63.100 -0.022 0.000 0.822 218 P CB 0.012 31.710 31.700 -0.004 0.000 0.784 219 L N -0.944 120.242 121.223 -0.061 0.000 2.027 219 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 219 L C 2.136 178.940 176.870 -0.111 0.000 1.074 219 L CA 1.772 56.547 54.840 -0.109 0.000 0.745 219 L CB -1.330 40.592 42.059 -0.228 0.000 0.898 219 L HN -0.129 nan 8.230 nan 0.000 0.433 220 L N -0.562 120.615 121.223 -0.076 0.000 2.083 220 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 220 L C 2.662 179.489 176.870 -0.073 0.000 1.083 220 L CA 1.126 55.942 54.840 -0.039 0.000 0.752 220 L CB -0.913 41.178 42.059 0.054 0.000 0.899 220 L HN 0.392 nan 8.230 nan 0.000 0.433 221 A N -0.015 122.764 122.820 -0.069 0.000 1.933 221 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 221 A C 2.245 179.706 177.584 -0.205 0.000 1.175 221 A CA 1.311 53.292 52.037 -0.093 0.000 0.628 221 A CB -0.550 18.407 19.000 -0.071 0.000 0.814 221 A HN 0.358 nan 8.150 nan 0.000 0.444 222 L N -0.723 120.356 121.223 -0.240 0.000 2.072 222 L HA -0.114 4.226 4.340 -0.000 0.000 0.205 222 L C 2.449 179.053 176.870 -0.445 0.000 1.079 222 L CA 1.010 55.595 54.840 -0.425 0.000 0.752 222 L CB -0.443 41.476 42.059 -0.233 0.000 0.906 222 L HN 0.366 nan 8.230 nan 0.000 0.436 223 I N 0.051 120.456 120.570 -0.275 0.000 2.226 223 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 223 I C 2.186 178.013 176.117 -0.483 0.000 1.100 223 I CA 1.647 62.766 61.300 -0.302 0.000 1.374 223 I CB -0.311 37.441 38.000 -0.413 0.000 1.057 223 I HN 0.311 nan 8.210 nan 0.000 0.413 224 D N 0.831 120.919 120.400 -0.520 0.000 2.104 224 D HA -0.252 4.388 4.640 -0.000 0.000 0.194 224 D C 2.369 178.577 176.300 -0.152 0.000 0.994 224 D CA 1.425 55.252 54.000 -0.288 0.000 0.830 224 D CB -0.027 40.788 40.800 0.025 0.000 0.959 224 D HN 0.055 nan 8.370 nan 0.000 0.452 225 R N -1.312 119.054 120.500 -0.223 0.000 2.081 225 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 225 R C 1.935 178.182 176.300 -0.089 0.000 1.131 225 R CA 1.246 57.229 56.100 -0.194 0.000 0.960 225 R CB -0.295 29.800 30.300 -0.342 0.000 0.856 225 R HN 0.313 nan 8.270 nan 0.000 0.436 226 Y N 0.379 120.628 120.300 -0.085 0.000 2.373 226 Y HA -0.055 4.495 4.550 -0.000 0.000 0.293 226 Y C 1.992 177.823 175.900 -0.114 0.000 1.129 226 Y CA 0.515 58.561 58.100 -0.090 0.000 1.226 226 Y CB -0.266 38.144 38.460 -0.083 0.000 1.000 226 Y HN 0.069 nan 8.280 nan 0.000 0.549 227 L N -0.574 120.638 121.223 -0.018 0.000 2.209 227 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 227 L C 1.921 178.751 176.870 -0.066 0.000 1.094 227 L CA 0.715 55.483 54.840 -0.119 0.000 0.790 227 L CB -0.235 41.681 42.059 -0.238 0.000 0.932 227 L HN 0.212 nan 8.230 nan 0.000 0.447 228 N N 0.061 118.748 118.700 -0.021 0.000 2.333 228 N HA -0.040 4.700 4.740 -0.000 0.000 0.178 228 N C 1.911 177.375 175.510 -0.078 0.000 1.018 228 N CA 1.056 54.088 53.050 -0.029 0.000 0.882 228 N CB 0.138 38.681 38.487 0.093 0.000 0.984 228 N HN 0.218 nan 8.380 nan 0.000 0.434 229 A N 2.479 125.296 122.820 -0.006 0.000 1.884 229 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 229 A C -0.287 177.281 177.584 -0.027 0.000 1.197 229 A CA 1.689 53.734 52.037 0.012 0.000 0.637 229 A CB -1.674 17.372 19.000 0.076 0.000 0.827 229 A HN 0.202 nan 8.150 nan 0.000 0.450 230 P HA -0.110 nan 4.420 nan 0.000 0.218 230 P C 1.172 178.433 177.300 -0.065 0.000 1.148 230 P CA 0.831 63.902 63.100 -0.048 0.000 0.822 230 P CB -0.054 31.614 31.700 -0.053 0.000 0.784 231 L N -0.560 120.583 121.223 -0.133 0.000 2.131 231 L HA -0.078 4.262 4.340 -0.000 0.000 0.206 231 L C 2.115 178.810 176.870 -0.293 0.000 1.087 231 L CA 1.659 56.384 54.840 -0.192 0.000 0.767 231 L CB -1.345 40.458 42.059 -0.427 0.000 0.917 231 L HN -0.022 nan 8.230 nan 0.000 0.441 232 E N -0.708 119.317 120.200 -0.291 0.000 2.338 232 E HA -0.231 4.119 4.350 -0.000 0.000 0.197 232 E C 1.257 177.825 176.600 -0.054 0.000 1.007 232 E CA 1.071 57.389 56.400 -0.136 0.000 0.849 232 E CB -0.059 29.622 29.700 -0.033 0.000 0.774 232 E HN 0.500 nan 8.360 nan 0.000 0.506 233 D N 0.044 120.427 120.400 -0.028 0.000 2.240 233 D HA -0.004 4.635 4.640 -0.000 0.000 0.206 233 D C 1.675 178.008 176.300 0.055 0.000 0.963 233 D CA 0.499 54.510 54.000 0.018 0.000 0.863 233 D CB 0.294 41.114 40.800 0.033 0.000 0.973 233 D HN 0.049 nan 8.370 nan 0.000 0.501 234 L N -0.164 121.115 121.223 0.095 0.000 2.202 234 L HA 0.205 4.545 4.340 -0.000 0.000 0.205 234 L C 2.500 179.551 176.870 0.302 0.000 1.083 234 L CA 0.622 55.622 54.840 0.267 0.000 0.790 234 L CB -0.347 41.918 42.059 0.344 0.000 0.942 234 L HN 0.008 nan 8.230 nan 0.000 0.452 235 A N 1.218 124.029 122.820 -0.015 0.000 1.896 235 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 235 A C -0.068 177.484 177.584 -0.053 0.000 1.206 235 A CA 2.165 54.008 52.037 -0.324 0.000 0.647 235 A CB -1.996 16.721 19.000 -0.471 0.000 0.828 235 A HN 0.275 nan 8.150 nan 0.000 0.455 236 P HA -0.151 nan 4.420 nan 0.000 0.221 236 P C 0.906 178.180 177.300 -0.043 0.000 1.145 236 P CA 1.605 64.687 63.100 -0.030 0.000 0.795 236 P CB -0.080 31.603 31.700 -0.030 0.000 0.775 237 R N -2.837 117.637 120.500 -0.044 0.000 2.629 237 R HA 0.388 4.728 4.340 -0.000 0.000 0.386 237 R C -0.739 175.236 176.300 -0.541 0.000 1.071 237 R CA -0.225 55.718 56.100 -0.262 0.000 1.104 237 R CB -0.082 30.009 30.300 -0.348 0.000 1.370 237 R HN -0.029 nan 8.270 nan 0.000 0.574 238 F N 0.219 120.255 119.950 0.143 0.000 2.604 238 F HA 0.315 4.842 4.527 -0.000 0.000 0.316 238 F C 0.022 175.993 175.800 0.285 0.000 1.136 238 F CA -1.164 56.957 58.000 0.202 0.000 0.989 238 F CB 2.286 41.432 39.000 0.244 0.000 1.258 238 F HN -0.163 nan 8.300 nan 0.000 0.451 239 D N 0.591 121.225 120.400 0.390 0.000 2.338 239 D HA 0.084 4.724 4.640 -0.000 0.000 0.208 239 D C 0.390 176.873 176.300 0.305 0.000 0.997 239 D CA 0.967 55.147 54.000 0.301 0.000 0.880 239 D CB 0.621 41.525 40.800 0.173 0.000 0.980 239 D HN 0.377 nan 8.370 nan 0.000 0.509 240 T N 0.377 115.081 114.554 0.251 0.000 2.912 240 T HA 0.542 4.892 4.350 -0.000 0.000 0.288 240 T C -0.717 173.953 174.700 -0.051 0.000 1.030 240 T CA -0.655 61.516 62.100 0.119 0.000 1.020 240 T CB 3.015 71.949 68.868 0.111 0.000 1.056 240 T HN -0.212 nan 8.240 nan 0.000 0.480 241 V N 1.254 121.063 119.914 -0.175 0.000 2.817 241 V HA 0.756 4.876 4.120 -0.000 0.000 0.303 241 V C -0.220 175.768 176.094 -0.176 0.000 1.151 241 V CA -0.368 61.714 62.300 -0.363 0.000 0.929 241 V CB 1.777 33.074 31.823 -0.876 0.000 1.030 241 V HN 1.067 nan 8.190 nan 0.000 0.427 242 G N 6.422 115.156 108.800 -0.110 0.000 2.420 242 G HA2 0.675 4.635 3.960 -0.000 0.000 0.284 242 G HA3 0.675 4.635 3.960 -0.000 0.000 0.284 242 G C -0.957 173.970 174.900 0.044 0.000 1.177 242 G CA -0.449 44.704 45.100 0.087 0.000 0.841 242 G HN 0.633 nan 8.290 nan 0.000 0.527 243 I N 1.985 122.648 120.570 0.155 0.000 2.548 243 I HA 0.268 4.438 4.170 -0.000 0.000 0.287 243 I C -2.680 173.551 176.117 0.189 0.000 1.103 243 I CA -2.556 58.812 61.300 0.114 0.000 1.049 243 I CB 2.382 40.427 38.000 0.074 0.000 1.232 243 I HN 0.190 nan 8.210 nan 0.000 0.429 244 P HA 0.309 nan 4.420 nan 0.000 0.279 244 P C -0.422 176.968 177.300 0.151 0.000 1.318 244 P CA -0.085 63.105 63.100 0.150 0.000 0.819 244 P CB 0.518 32.268 31.700 0.083 0.000 0.927 245 L N 3.371 124.701 121.223 0.179 0.000 2.262 245 L HA 0.190 4.530 4.340 -0.000 0.000 0.288 245 L C 1.185 178.168 176.870 0.189 0.000 1.035 245 L CA 0.034 54.977 54.840 0.170 0.000 0.820 245 L CB 1.063 43.228 42.059 0.176 0.000 1.204 245 L HN 0.365 nan 8.230 nan 0.000 0.424 246 S N 0.814 116.603 115.700 0.148 0.000 2.524 246 S HA 0.169 4.639 4.470 -0.000 0.000 0.215 246 S C 1.296 175.994 174.600 0.164 0.000 0.986 246 S CA 0.291 58.579 58.200 0.147 0.000 0.911 246 S CB 0.737 63.985 63.200 0.081 0.000 0.805 246 S HN 0.965 nan 8.310 nan 0.000 0.501 247 G N 0.752 109.642 108.800 0.150 0.000 2.225 247 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.254 247 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.254 247 G C 0.518 175.461 174.900 0.071 0.000 0.988 247 G CA -0.099 45.106 45.100 0.174 0.000 0.625 247 G HN 1.096 nan 8.290 nan 0.000 0.527 248 G N -0.447 108.360 108.800 0.012 0.000 2.606 248 G HA2 0.503 4.463 3.960 -0.000 0.000 0.252 248 G HA3 0.503 4.463 3.960 -0.000 0.000 0.252 248 G C 1.196 176.063 174.900 -0.055 0.000 1.206 248 G CA 0.080 45.125 45.100 -0.092 0.000 0.861 248 G HN 0.625 nan 8.290 nan 0.000 0.561 249 L N -0.005 121.155 121.223 -0.105 0.000 2.043 249 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 249 L C 2.035 178.926 176.870 0.036 0.000 1.075 249 L CA 2.368 57.187 54.840 -0.035 0.000 0.752 249 L CB -0.696 41.321 42.059 -0.069 0.000 0.891 249 L HN 0.530 nan 8.230 nan 0.000 0.432 250 D N -0.190 120.214 120.400 0.006 0.000 2.084 250 D HA -0.165 4.475 4.640 -0.000 0.000 0.194 250 D C 2.325 178.735 176.300 0.183 0.000 0.990 250 D CA 1.837 55.877 54.000 0.067 0.000 0.826 250 D CB -0.210 40.533 40.800 -0.096 0.000 0.971 250 D HN 0.498 nan 8.370 nan 0.000 0.453 251 S N 0.277 116.048 115.700 0.118 0.000 2.406 251 S HA -0.066 4.404 4.470 -0.000 0.000 0.228 251 S C 2.144 176.825 174.600 0.135 0.000 1.020 251 S CA 1.072 59.358 58.200 0.143 0.000 0.965 251 S CB -0.252 63.015 63.200 0.113 0.000 0.798 251 S HN 0.038 nan 8.310 nan 0.000 0.488 252 S N 2.072 117.836 115.700 0.107 0.000 2.383 252 S HA 0.057 4.527 4.470 -0.000 0.000 0.227 252 S C 1.720 176.384 174.600 0.107 0.000 1.026 252 S CA 1.090 59.346 58.200 0.093 0.000 0.981 252 S CB -0.618 62.625 63.200 0.072 0.000 0.818 252 S HN 0.434 nan 8.310 nan 0.000 0.472 253 L N 2.055 123.361 121.223 0.139 0.000 2.046 253 L HA -0.007 4.332 4.340 -0.000 0.000 0.208 253 L C 2.145 179.112 176.870 0.163 0.000 1.077 253 L CA 1.506 56.438 54.840 0.154 0.000 0.747 253 L CB -0.693 41.502 42.059 0.227 0.000 0.896 253 L HN 0.123 nan 8.230 nan 0.000 0.432 254 V N -0.750 119.284 119.914 0.200 0.000 2.407 254 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 254 V C 2.436 178.612 176.094 0.138 0.000 1.055 254 V CA 2.145 64.548 62.300 0.172 0.000 1.049 254 V CB -1.072 30.877 31.823 0.210 0.000 0.662 254 V HN 0.543 nan 8.190 nan 0.000 0.455 255 T N 0.415 115.043 114.554 0.123 0.000 2.777 255 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 255 T C 2.109 176.871 174.700 0.104 0.000 1.040 255 T CA 1.509 63.670 62.100 0.102 0.000 1.141 255 T CB -0.423 68.494 68.868 0.082 0.000 0.868 255 T HN 0.562 nan 8.240 nan 0.000 0.444 256 A N 1.267 124.142 122.820 0.092 0.000 1.908 256 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 256 A C 2.298 179.942 177.584 0.099 0.000 1.181 256 A CA 1.295 53.376 52.037 0.073 0.000 0.627 256 A CB -0.849 18.177 19.000 0.043 0.000 0.818 256 A HN 0.474 nan 8.150 nan 0.000 0.445 257 L N -1.081 120.223 121.223 0.136 0.000 2.109 257 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 257 L C 3.063 180.121 176.870 0.312 0.000 1.086 257 L CA 0.848 55.809 54.840 0.200 0.000 0.760 257 L CB -0.494 41.684 42.059 0.198 0.000 0.910 257 L HN 0.425 nan 8.230 nan 0.000 0.437 258 A N 0.210 123.199 122.820 0.282 0.000 1.972 258 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 258 A C 2.452 180.272 177.584 0.394 0.000 1.169 258 A CA 1.819 54.097 52.037 0.402 0.000 0.635 258 A CB -0.673 18.462 19.000 0.225 0.000 0.810 258 A HN 0.515 nan 8.150 nan 0.000 0.446 259 S N -0.947 114.887 115.700 0.222 0.000 2.547 259 S HA -0.052 4.418 4.470 -0.000 0.000 0.235 259 S C 1.551 176.211 174.600 0.101 0.000 0.980 259 S CA 1.093 59.386 58.200 0.155 0.000 0.941 259 S CB -0.278 62.977 63.200 0.092 0.000 0.763 259 S HN 0.594 nan 8.310 nan 0.000 0.532 260 R N -0.831 119.713 120.500 0.074 0.000 2.397 260 R HA 0.314 4.654 4.340 -0.000 0.000 0.241 260 R C 1.151 177.251 176.300 -0.333 0.000 0.914 260 R CA 0.143 56.172 56.100 -0.120 0.000 1.071 260 R CB 0.174 30.365 30.300 -0.182 0.000 1.116 260 R HN 0.560 nan 8.270 nan 0.000 0.524 261 H N -1.855 117.198 119.070 -0.028 0.000 3.091 261 H HA 0.182 4.738 4.556 -0.000 0.000 0.249 261 H C -0.334 174.694 175.328 -0.499 0.000 0.985 261 H CA 0.331 56.203 56.048 -0.295 0.000 1.177 261 H CB 0.823 30.312 29.762 -0.454 0.000 1.456 261 H HN -0.081 nan 8.280 nan 0.000 0.467 262 F N 0.560 120.598 119.950 0.148 0.000 2.538 262 F HA 0.300 4.827 4.527 -0.000 0.000 0.325 262 F C 1.366 177.208 175.800 0.071 0.000 1.066 262 F CA -0.910 57.155 58.000 0.108 0.000 0.946 262 F CB 1.898 40.963 39.000 0.109 0.000 1.199 262 F HN -0.288 nan 8.300 nan 0.000 0.473 263 K N 0.953 121.498 120.400 0.242 0.000 2.067 263 K HA 0.116 4.436 4.320 -0.000 0.000 0.203 263 K C -0.162 176.521 176.600 0.138 0.000 1.048 263 K CA 1.405 57.778 56.287 0.144 0.000 0.954 263 K CB 0.145 32.707 32.500 0.102 0.000 0.737 263 K HN 0.479 nan 8.250 nan 0.000 0.444 264 K N 1.008 121.503 120.400 0.158 0.000 2.206 264 K HA 0.298 4.618 4.320 -0.000 0.000 0.264 264 K C -1.070 175.593 176.600 0.105 0.000 0.967 264 K CA -0.664 55.692 56.287 0.115 0.000 0.844 264 K CB 1.455 34.017 32.500 0.102 0.000 1.099 264 K HN -0.029 nan 8.250 nan 0.000 0.441 265 L N 3.141 124.415 121.223 0.085 0.000 2.356 265 L HA 0.373 4.713 4.340 -0.000 0.000 0.277 265 L C -0.915 175.982 176.870 0.044 0.000 0.996 265 L CA -0.716 54.155 54.840 0.051 0.000 0.822 265 L CB 1.554 43.649 42.059 0.061 0.000 1.256 265 L HN 0.619 nan 8.230 nan 0.000 0.413 266 N N 1.284 119.985 118.700 0.001 0.000 2.476 266 N HA 0.458 5.198 4.740 -0.000 0.000 0.257 266 N C -0.350 175.022 175.510 -0.229 0.000 0.970 266 N CA -0.276 52.696 53.050 -0.130 0.000 0.938 266 N CB 1.771 40.227 38.487 -0.052 0.000 1.144 266 N HN 0.540 nan 8.380 nan 0.000 0.500 267 T N -0.512 113.844 114.554 -0.331 0.000 2.859 267 T HA 0.604 4.954 4.350 -0.000 0.000 0.281 267 T C -0.834 173.595 174.700 -0.453 0.000 1.005 267 T CA -0.529 61.475 62.100 -0.159 0.000 1.025 267 T CB 0.672 69.608 68.868 0.113 0.000 0.977 267 T HN 0.209 nan 8.240 nan 0.000 0.458 268 Y N 0.427 120.726 120.300 -0.001 0.000 2.425 268 Y HA 0.684 5.234 4.550 -0.000 0.000 0.344 268 Y C 0.366 176.266 175.900 -0.000 0.000 0.969 268 Y CA -1.006 57.040 58.100 -0.089 0.000 1.052 268 Y CB 2.542 40.941 38.460 -0.103 0.000 1.215 268 Y HN 0.822 nan 8.280 nan 0.000 0.451 269 S N 4.494 120.248 115.700 0.090 0.000 2.542 269 S HA 0.862 5.332 4.470 -0.000 0.000 0.293 269 S C -1.344 173.391 174.600 0.225 0.000 1.089 269 S CA -0.626 57.696 58.200 0.203 0.000 0.961 269 S CB 0.664 64.044 63.200 0.300 0.000 1.062 269 S HN 0.585 nan 8.310 nan 0.000 0.483 270 I N 1.119 121.896 120.570 0.344 0.000 2.769 270 I HA 0.920 5.090 4.170 -0.000 0.000 0.298 270 I C 0.025 176.335 176.117 0.320 0.000 1.128 270 I CA -0.664 60.832 61.300 0.327 0.000 1.031 270 I CB 1.116 39.199 38.000 0.139 0.000 1.235 270 I HN 0.766 nan 8.210 nan 0.000 0.423 271 G N 2.129 111.103 108.800 0.289 0.000 3.086 271 G HA2 0.732 4.692 3.960 -0.000 0.000 0.282 271 G HA3 0.732 4.692 3.960 -0.000 0.000 0.282 271 G C -1.381 173.528 174.900 0.016 0.000 1.343 271 G CA -0.746 44.330 45.100 -0.040 0.000 0.895 271 G HN 0.936 nan 8.290 nan 0.000 0.557 272 T N -0.421 114.106 114.554 -0.045 0.000 3.393 272 T HA 0.393 4.743 4.350 -0.000 0.000 0.359 272 T C -1.191 173.498 174.700 -0.019 0.000 1.380 272 T CA -0.177 61.920 62.100 -0.005 0.000 1.132 272 T CB 1.042 69.911 68.868 0.001 0.000 1.284 272 T HN 0.727 nan 8.240 nan 0.000 0.477 273 E N 3.996 124.198 120.200 0.003 0.000 2.228 273 E HA -0.191 4.159 4.350 -0.000 0.000 0.213 273 E C 0.990 177.582 176.600 -0.012 0.000 1.282 273 E CA 0.977 57.377 56.400 0.001 0.000 0.707 273 E CB -1.908 27.792 29.700 -0.001 0.000 1.150 273 E HN 0.975 nan 8.360 nan 0.000 0.362 274 L N -2.162 119.055 121.223 -0.011 0.000 4.491 274 L HA -0.288 4.052 4.340 -0.000 0.000 0.433 274 L C 0.557 177.383 176.870 -0.074 0.000 1.135 274 L CA 1.400 56.225 54.840 -0.026 0.000 0.971 274 L CB -1.318 40.739 42.059 -0.003 0.000 1.949 274 L HN 0.342 nan 8.230 nan 0.000 0.953 275 S N 0.591 116.234 115.700 -0.094 0.000 2.488 275 S HA 0.575 5.045 4.470 -0.000 0.000 0.310 275 S C -0.022 174.460 174.600 -0.196 0.000 1.093 275 S CA -0.001 58.136 58.200 -0.105 0.000 1.129 275 S CB 0.317 63.483 63.200 -0.057 0.000 0.989 275 S HN 0.557 nan 8.310 nan 0.000 0.479 276 N N 2.546 121.066 118.700 -0.299 0.000 3.418 276 N HA 0.544 5.284 4.740 -0.000 0.000 0.316 276 N C -0.618 174.703 175.510 -0.316 0.000 1.601 276 N CA -0.812 51.937 53.050 -0.502 0.000 0.805 276 N CB 0.516 38.193 38.487 -1.351 0.000 1.873 276 N HN 0.200 nan 8.380 nan 0.000 0.615 277 E N -1.517 118.505 120.200 -0.298 0.000 2.810 277 E HA 0.427 4.777 4.350 -0.000 0.000 0.214 277 E C -0.286 176.381 176.600 0.112 0.000 0.980 277 E CA -0.444 55.975 56.400 0.031 0.000 1.159 277 E CB -0.329 29.496 29.700 0.208 0.000 1.047 277 E HN 0.559 nan 8.360 nan 0.000 0.484 278 F N 0.517 120.483 119.950 0.028 0.000 2.184 278 F HA -0.302 4.225 4.527 -0.000 0.000 0.301 278 F C 2.239 178.010 175.800 -0.048 0.000 1.076 278 F CA 0.991 59.009 58.000 0.029 0.000 1.295 278 F CB 0.047 39.062 39.000 0.026 0.000 1.026 278 F HN 0.210 nan 8.300 nan 0.000 0.494 279 E N 1.234 121.415 120.200 -0.032 0.000 2.023 279 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 279 E C 1.744 178.211 176.600 -0.222 0.000 1.003 279 E CA 2.021 58.268 56.400 -0.254 0.000 0.809 279 E CB -0.730 28.605 29.700 -0.608 0.000 0.755 279 E HN 0.332 nan 8.360 nan 0.000 0.449 280 F N 0.540 120.549 119.950 0.099 0.000 2.146 280 F HA -0.004 4.523 4.527 -0.000 0.000 0.298 280 F C 2.912 178.745 175.800 0.055 0.000 1.096 280 F CA 1.124 59.172 58.000 0.081 0.000 1.275 280 F CB -1.346 37.710 39.000 0.093 0.000 1.008 280 F HN 0.102 nan 8.300 nan 0.000 0.480 281 S N -0.165 115.685 115.700 0.250 0.000 2.365 281 S HA -0.324 4.146 4.470 -0.000 0.000 0.225 281 S C 2.187 176.734 174.600 -0.088 0.000 1.039 281 S CA 1.844 60.129 58.200 0.142 0.000 1.033 281 S CB -0.402 62.961 63.200 0.271 0.000 0.887 281 S HN 0.422 nan 8.310 nan 0.000 0.447 282 Q N 1.075 120.832 119.800 -0.072 0.000 2.124 282 Q HA -0.089 4.251 4.340 -0.000 0.000 0.202 282 Q C 2.177 178.099 176.000 -0.131 0.000 0.977 282 Q CA 2.095 57.778 55.803 -0.200 0.000 0.850 282 Q CB -0.559 28.160 28.738 -0.033 0.000 0.901 282 Q HN 0.791 nan 8.270 nan 0.000 0.429 283 Q N -0.933 118.851 119.800 -0.027 0.000 2.124 283 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 283 Q C 1.741 177.741 176.000 0.001 0.000 0.977 283 Q CA 1.625 57.435 55.803 0.013 0.000 0.850 283 Q CB 0.129 28.918 28.738 0.085 0.000 0.901 283 Q HN 0.366 nan 8.270 nan 0.000 0.429 284 V N 0.817 120.728 119.914 -0.005 0.000 2.323 284 V HA -0.200 3.920 4.120 -0.000 0.000 0.244 284 V C 2.400 178.462 176.094 -0.054 0.000 1.041 284 V CA 1.600 63.896 62.300 -0.006 0.000 1.025 284 V CB -1.017 30.816 31.823 0.018 0.000 0.656 284 V HN 0.506 nan 8.190 nan 0.000 0.451 285 A N 0.160 122.885 122.820 -0.159 0.000 1.908 285 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 285 A C 1.972 179.508 177.584 -0.080 0.000 1.181 285 A CA 2.234 54.165 52.037 -0.176 0.000 0.627 285 A CB -0.633 18.088 19.000 -0.464 0.000 0.818 285 A HN 0.549 nan 8.150 nan 0.000 0.445 286 D N -0.087 120.268 120.400 -0.076 0.000 2.123 286 D HA 0.012 4.652 4.640 -0.000 0.000 0.200 286 D C 2.227 178.520 176.300 -0.012 0.000 0.976 286 D CA 1.459 55.441 54.000 -0.030 0.000 0.831 286 D CB -0.547 40.239 40.800 -0.024 0.000 0.974 286 D HN 0.412 nan 8.370 nan 0.000 0.469 287 A N 0.238 123.053 122.820 -0.009 0.000 1.978 287 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 287 A C 2.100 179.687 177.584 0.006 0.000 1.170 287 A CA 1.047 53.086 52.037 0.004 0.000 0.636 287 A CB -0.435 18.573 19.000 0.013 0.000 0.810 287 A HN 0.259 nan 8.150 nan 0.000 0.448 288 L N -1.768 119.458 121.223 0.005 0.000 2.766 288 L HA 0.297 4.637 4.340 -0.000 0.000 0.242 288 L C 1.217 178.097 176.870 0.017 0.000 1.136 288 L CA 0.283 55.132 54.840 0.015 0.000 0.933 288 L CB 0.155 42.228 42.059 0.024 0.000 1.241 288 L HN 0.486 nan 8.230 nan 0.000 0.522 289 G N 2.202 111.008 108.800 0.011 0.000 2.370 289 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.295 289 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.295 289 G C 0.210 175.128 174.900 0.030 0.000 1.045 289 G CA 0.536 45.646 45.100 0.016 0.000 1.199 289 G HN 0.377 nan 8.290 nan 0.000 0.513 290 T N -2.267 112.309 114.554 0.036 0.000 2.952 290 T HA 0.568 4.918 4.350 -0.000 0.000 0.286 290 T C 0.287 175.053 174.700 0.110 0.000 1.024 290 T CA -0.522 61.615 62.100 0.061 0.000 1.029 290 T CB 1.685 70.580 68.868 0.045 0.000 1.094 290 T HN 0.515 nan 8.240 nan 0.000 0.515 291 H N 1.427 120.482 119.070 -0.024 0.000 3.224 291 H HA 0.143 4.699 4.556 -0.000 0.000 0.265 291 H C -0.112 175.159 175.328 -0.094 0.000 1.461 291 H CA -0.455 55.562 56.048 -0.052 0.000 1.509 291 H CB -0.342 29.377 29.762 -0.071 0.000 1.686 291 H HN 0.637 nan 8.280 nan 0.000 0.514 292 H N 3.405 122.437 119.070 -0.063 0.000 2.508 292 H HA 0.214 4.770 4.556 -0.000 0.000 0.358 292 H C -0.700 174.474 175.328 -0.255 0.000 1.212 292 H CA -0.143 55.785 56.048 -0.199 0.000 1.356 292 H CB 0.833 30.534 29.762 -0.102 0.000 1.525 292 H HN 0.786 nan 8.280 nan 0.000 0.578 293 Q N 3.640 122.873 119.800 -0.946 0.000 2.518 293 Q HA 0.277 4.617 4.340 -0.000 0.000 0.254 293 Q C -1.495 174.092 176.000 -0.689 0.000 0.962 293 Q CA -0.880 54.535 55.803 -0.647 0.000 0.982 293 Q CB 1.259 29.733 28.738 -0.440 0.000 1.516 293 Q HN 0.677 nan 8.270 nan 0.000 0.426 294 M N 0.684 119.961 119.600 -0.538 0.000 2.823 294 M HA 0.773 5.253 4.480 -0.000 0.000 0.282 294 M C -0.954 175.164 176.300 -0.303 0.000 1.177 294 M CA -0.857 54.136 55.300 -0.513 0.000 0.871 294 M CB 2.086 34.167 32.600 -0.865 0.000 1.595 294 M HN 0.700 nan 8.290 nan 0.000 0.524 295 K N 1.028 121.280 120.400 -0.247 0.000 2.577 295 K HA 0.349 4.669 4.320 -0.000 0.000 0.267 295 K C -2.396 174.267 176.600 0.105 0.000 0.979 295 K CA -0.412 55.840 56.287 -0.059 0.000 0.942 295 K CB 2.032 34.522 32.500 -0.017 0.000 1.343 295 K HN 0.923 nan 8.250 nan 0.000 0.436 296 I N 6.858 127.510 120.570 0.137 0.000 2.301 296 I HA 0.243 4.413 4.170 -0.000 0.000 0.292 296 I C -0.659 175.529 176.117 0.117 0.000 1.046 296 I CA -0.716 60.713 61.300 0.215 0.000 1.282 296 I CB 0.303 38.429 38.000 0.210 0.000 1.409 296 I HN 0.586 nan 8.210 nan 0.000 0.484 297 L N 7.096 128.382 121.223 0.106 0.000 2.439 297 L HA 0.248 4.588 4.340 -0.000 0.000 0.269 297 L C 0.804 177.706 176.870 0.053 0.000 1.179 297 L CA -0.236 54.643 54.840 0.066 0.000 0.828 297 L CB 0.985 43.077 42.059 0.055 0.000 1.106 297 L HN 0.682 nan 8.230 nan 0.000 0.467 298 S N 0.130 115.856 115.700 0.043 0.000 2.693 298 S HA 0.148 4.618 4.470 -0.000 0.000 0.276 298 S C 0.751 175.370 174.600 0.032 0.000 1.192 298 S CA -0.720 57.501 58.200 0.036 0.000 0.994 298 S CB 1.569 64.789 63.200 0.034 0.000 1.012 298 S HN 0.733 nan 8.310 nan 0.000 0.550 299 E N 0.544 120.760 120.200 0.027 0.000 2.209 299 E HA -0.148 4.202 4.350 -0.000 0.000 0.196 299 E C 1.323 177.940 176.600 0.028 0.000 0.993 299 E CA 1.602 58.017 56.400 0.025 0.000 0.819 299 E CB -0.410 29.303 29.700 0.021 0.000 0.745 299 E HN 0.796 nan 8.360 nan 0.000 0.477 300 T N 0.432 115.004 114.554 0.031 0.000 2.812 300 T HA -0.089 4.261 4.350 -0.000 0.000 0.264 300 T C 1.392 176.117 174.700 0.042 0.000 1.042 300 T CA 1.263 63.386 62.100 0.037 0.000 1.140 300 T CB -0.113 68.777 68.868 0.037 0.000 0.870 300 T HN 0.279 nan 8.240 nan 0.000 0.445 301 E N 0.556 120.781 120.200 0.041 0.000 2.150 301 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 301 E C 2.297 178.918 176.600 0.035 0.000 0.985 301 E CA 0.608 57.035 56.400 0.044 0.000 0.814 301 E CB -0.147 29.578 29.700 0.043 0.000 0.752 301 E HN 0.231 nan 8.360 nan 0.000 0.466 302 V N 1.152 121.079 119.914 0.022 0.000 2.295 302 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 302 V C 2.126 178.204 176.094 -0.028 0.000 1.049 302 V CA 1.410 63.709 62.300 -0.001 0.000 1.024 302 V CB -0.279 31.545 31.823 0.001 0.000 0.648 302 V HN 0.204 nan 8.190 nan 0.000 0.447 303 I N 0.702 121.268 120.570 -0.008 0.000 2.361 303 I HA -0.158 4.012 4.170 -0.000 0.000 0.251 303 I C 2.171 178.310 176.117 0.036 0.000 1.133 303 I CA 1.215 62.512 61.300 -0.005 0.000 1.413 303 I CB -0.803 37.226 38.000 0.048 0.000 1.073 303 I HN 0.306 nan 8.210 nan 0.000 0.424 304 N N 0.599 119.332 118.700 0.056 0.000 2.188 304 N HA -0.097 4.643 4.740 -0.000 0.000 0.184 304 N C 2.025 177.584 175.510 0.081 0.000 1.018 304 N CA 1.487 54.589 53.050 0.088 0.000 0.858 304 N CB -0.725 37.820 38.487 0.097 0.000 0.989 304 N HN 0.440 nan 8.380 nan 0.000 0.426 305 G N 1.026 109.857 108.800 0.051 0.000 2.432 305 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.219 305 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.219 305 G C 1.684 176.538 174.900 -0.077 0.000 1.135 305 G CA 0.268 45.396 45.100 0.047 0.000 0.767 305 G HN 0.249 nan 8.290 nan 0.000 0.550 306 I N 1.387 121.902 120.570 -0.093 0.000 2.163 306 I HA -0.131 4.039 4.170 -0.000 0.000 0.240 306 I C 2.755 178.839 176.117 -0.055 0.000 1.081 306 I CA 1.300 62.511 61.300 -0.149 0.000 1.353 306 I CB -0.244 37.586 38.000 -0.283 0.000 1.054 306 I HN 0.317 nan 8.210 nan 0.000 0.407 307 I N -1.267 119.340 120.570 0.062 0.000 2.493 307 I HA -0.181 3.989 4.170 -0.000 0.000 0.254 307 I C 2.088 178.296 176.117 0.152 0.000 1.160 307 I CA 1.506 62.923 61.300 0.195 0.000 1.445 307 I CB -0.520 37.649 38.000 0.282 0.000 1.086 307 I HN 0.251 nan 8.210 nan 0.000 0.433 308 E N 1.835 122.050 120.200 0.025 0.000 2.072 308 E HA -0.159 4.191 4.350 -0.000 0.000 0.190 308 E C 2.465 178.903 176.600 -0.270 0.000 0.982 308 E CA 1.672 58.094 56.400 0.036 0.000 0.803 308 E CB -0.035 29.826 29.700 0.268 0.000 0.755 308 E HN 0.746 nan 8.360 nan 0.000 0.453 309 S N 0.770 115.986 115.700 -0.807 0.000 2.399 309 S HA -0.121 4.349 4.470 -0.000 0.000 0.231 309 S C 2.023 176.506 174.600 -0.195 0.000 1.022 309 S CA 0.657 58.279 58.200 -0.963 0.000 0.983 309 S CB -0.409 62.364 63.200 -0.712 0.000 0.803 309 S HN 0.165 nan 8.310 nan 0.000 0.480 310 I N -0.044 120.501 120.570 -0.041 0.000 2.233 310 I HA -0.084 4.086 4.170 -0.000 0.000 0.243 310 I C 2.540 178.744 176.117 0.145 0.000 1.093 310 I CA 1.616 63.011 61.300 0.158 0.000 1.380 310 I CB -0.479 37.689 38.000 0.279 0.000 1.067 310 I HN 0.281 nan 8.210 nan 0.000 0.413 311 Y N 1.170 121.348 120.300 -0.203 0.000 2.070 311 Y HA -0.332 4.218 4.550 -0.000 0.000 0.279 311 Y C 2.499 178.218 175.900 -0.301 0.000 1.134 311 Y CA 1.703 59.433 58.100 -0.616 0.000 1.113 311 Y CB -0.695 36.962 38.460 -1.339 0.000 0.981 311 Y HN 0.023 nan 8.280 nan 0.000 0.487 312 Y N 0.180 120.496 120.300 0.026 0.000 2.163 312 Y HA -0.183 4.367 4.550 -0.000 0.000 0.288 312 Y C 2.008 178.026 175.900 0.197 0.000 1.136 312 Y CA 1.870 60.049 58.100 0.131 0.000 1.147 312 Y CB -0.662 38.079 38.460 0.469 0.000 0.987 312 Y HN 0.179 nan 8.280 nan 0.000 0.509 313 N N 0.020 118.951 118.700 0.384 0.000 2.280 313 N HA -0.001 4.739 4.740 -0.000 0.000 0.192 313 N C -0.596 175.077 175.510 0.272 0.000 1.109 313 N CA 0.325 53.583 53.050 0.346 0.000 0.855 313 N CB -0.248 38.421 38.487 0.302 0.000 0.974 313 N HN 0.258 nan 8.380 nan 0.000 0.482 314 E N 0.318 120.652 120.200 0.224 0.000 2.210 314 E HA -0.224 4.126 4.350 -0.000 0.000 0.201 314 E C -0.658 176.225 176.600 0.472 0.000 1.339 314 E CA 0.403 57.009 56.400 0.343 0.000 0.699 314 E CB -1.663 28.204 29.700 0.280 0.000 1.126 314 E HN 0.455 nan 8.360 nan 0.000 0.355 315 I N 1.160 121.918 120.570 0.314 0.000 2.353 315 I HA 0.154 4.324 4.170 -0.000 0.000 0.293 315 I C 1.134 177.309 176.117 0.097 0.000 0.992 315 I CA -0.499 60.858 61.300 0.095 0.000 1.268 315 I CB 0.399 38.399 38.000 -0.001 0.000 1.387 315 I HN 0.189 nan 8.210 nan 0.000 0.478 316 F N 1.692 121.578 119.950 -0.106 0.000 2.706 316 F HA 0.399 4.926 4.527 -0.000 0.000 0.313 316 F C 0.281 176.089 175.800 0.014 0.000 1.096 316 F CA -0.889 56.966 58.000 -0.240 0.000 1.219 316 F CB -0.264 38.228 39.000 -0.846 0.000 1.051 316 F HN 0.254 nan 8.300 nan 0.000 0.568 317 D N 1.173 121.430 120.400 -0.239 0.000 2.277 317 D HA 0.380 5.020 4.640 -0.000 0.000 0.249 317 D C 1.537 177.900 176.300 0.104 0.000 1.134 317 D CA 0.172 54.150 54.000 -0.037 0.000 0.863 317 D CB 1.874 42.565 40.800 -0.183 0.000 1.143 317 D HN 0.173 nan 8.370 nan 0.000 0.458 318 G N 3.121 112.067 108.800 0.243 0.000 2.421 318 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 318 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 318 G C 1.307 176.457 174.900 0.416 0.000 1.171 318 G CA 0.724 46.068 45.100 0.406 0.000 0.775 318 G HN 0.521 nan 8.290 nan 0.000 0.543 319 L N 1.241 122.634 121.223 0.283 0.000 1.989 319 L HA -0.036 4.304 4.340 -0.000 0.000 0.211 319 L C 2.897 179.774 176.870 0.011 0.000 1.071 319 L CA 2.649 57.539 54.840 0.084 0.000 0.749 319 L CB -0.836 41.060 42.059 -0.270 0.000 0.890 319 L HN 0.180 nan 8.230 nan 0.000 0.431 320 S N -0.089 115.566 115.700 -0.075 0.000 2.368 320 S HA -0.143 4.327 4.470 -0.000 0.000 0.225 320 S C 2.077 176.636 174.600 -0.069 0.000 1.030 320 S CA 1.116 59.237 58.200 -0.133 0.000 0.999 320 S CB -0.678 62.371 63.200 -0.252 0.000 0.844 320 S HN 0.692 nan 8.310 nan 0.000 0.459 321 A N 1.412 124.218 122.820 -0.023 0.000 1.898 321 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 321 A C 2.045 179.580 177.584 -0.082 0.000 1.181 321 A CA 1.643 53.656 52.037 -0.040 0.000 0.620 321 A CB -0.591 18.418 19.000 0.015 0.000 0.819 321 A HN 0.609 nan 8.150 nan 0.000 0.442 322 E N -0.130 120.048 120.200 -0.036 0.000 2.077 322 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 322 E C 1.835 178.422 176.600 -0.021 0.000 0.989 322 E CA 1.340 57.701 56.400 -0.065 0.000 0.800 322 E CB -0.218 29.603 29.700 0.201 0.000 0.746 322 E HN 0.661 nan 8.360 nan 0.000 0.452 323 I N 0.870 121.438 120.570 -0.003 0.000 2.353 323 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 323 I C 2.419 178.552 176.117 0.027 0.000 1.119 323 I CA 0.711 62.004 61.300 -0.011 0.000 1.417 323 I CB -0.181 37.785 38.000 -0.057 0.000 1.078 323 I HN 0.164 nan 8.210 nan 0.000 0.421 324 Q N -0.042 119.778 119.800 0.032 0.000 2.364 324 Q HA -0.147 4.193 4.340 -0.000 0.000 0.207 324 Q C 2.282 178.360 176.000 0.130 0.000 0.970 324 Q CA 1.031 56.898 55.803 0.107 0.000 0.888 324 Q CB -0.318 28.482 28.738 0.104 0.000 0.951 324 Q HN 0.405 nan 8.270 nan 0.000 0.469 325 S N 0.388 116.098 115.700 0.017 0.000 2.365 325 S HA -0.167 4.303 4.470 -0.000 0.000 0.225 325 S C 1.959 176.571 174.600 0.020 0.000 1.039 325 S CA 1.628 59.830 58.200 0.002 0.000 1.033 325 S CB -0.363 62.799 63.200 -0.063 0.000 0.887 325 S HN 0.570 nan 8.310 nan 0.000 0.447 326 G N 1.062 109.859 108.800 -0.004 0.000 2.422 326 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.218 326 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.218 326 G C 1.468 176.295 174.900 -0.121 0.000 1.146 326 G CA 0.783 45.863 45.100 -0.033 0.000 0.769 326 G HN 0.515 nan 8.290 nan 0.000 0.547 327 L N -1.007 120.115 121.223 -0.169 0.000 2.109 327 L HA 0.104 4.444 4.340 -0.000 0.000 0.207 327 L C 2.632 178.870 176.870 -1.054 0.000 1.086 327 L CA 0.664 55.184 54.840 -0.532 0.000 0.760 327 L CB -0.240 41.533 42.059 -0.478 0.000 0.910 327 L HN 0.195 nan 8.230 nan 0.000 0.437 328 F N -0.141 119.419 119.950 -0.649 0.000 2.234 328 F HA -0.155 4.372 4.527 -0.000 0.000 0.299 328 F C 2.424 177.985 175.800 -0.397 0.000 1.087 328 F CA 0.943 58.640 58.000 -0.506 0.000 1.340 328 F CB -0.236 38.699 39.000 -0.109 0.000 1.031 328 F HN 0.156 nan 8.300 nan 0.000 0.500 329 N N -0.009 118.604 118.700 -0.146 0.000 2.270 329 N HA -0.103 4.637 4.740 -0.000 0.000 0.181 329 N C 2.032 177.407 175.510 -0.226 0.000 1.016 329 N CA 0.936 53.915 53.050 -0.119 0.000 0.870 329 N CB -0.177 38.283 38.487 -0.045 0.000 0.979 329 N HN 0.130 nan 8.380 nan 0.000 0.431 330 V N 1.019 120.731 119.914 -0.337 0.000 2.379 330 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 330 V C 1.835 177.653 176.094 -0.461 0.000 1.044 330 V CA 1.198 63.270 62.300 -0.381 0.000 1.036 330 V CB -0.678 30.935 31.823 -0.350 0.000 0.664 330 V HN 0.170 nan 8.190 nan 0.000 0.453 331 Y N 0.708 120.646 120.300 -0.604 0.000 2.151 331 Y HA -0.257 4.293 4.550 -0.000 0.000 0.284 331 Y C 2.652 178.046 175.900 -0.843 0.000 1.166 331 Y CA 1.729 59.335 58.100 -0.823 0.000 1.163 331 Y CB -0.957 36.758 38.460 -1.242 0.000 0.974 331 Y HN 0.181 nan 8.280 nan 0.000 0.511 332 R N 0.417 120.550 120.500 -0.612 0.000 2.081 332 R HA -0.191 4.149 4.340 -0.000 0.000 0.235 332 R C 2.050 178.274 176.300 -0.126 0.000 1.131 332 R CA 1.762 57.712 56.100 -0.252 0.000 0.960 332 R CB -0.124 30.130 30.300 -0.076 0.000 0.856 332 R HN 0.471 nan 8.270 nan 0.000 0.436 333 Q N -0.790 118.890 119.800 -0.200 0.000 2.123 333 Q HA -0.038 4.302 4.340 -0.000 0.000 0.199 333 Q C 1.851 177.734 176.000 -0.195 0.000 0.966 333 Q CA 1.367 57.082 55.803 -0.146 0.000 0.845 333 Q CB 0.100 28.764 28.738 -0.123 0.000 0.907 333 Q HN 0.388 nan 8.270 nan 0.000 0.439 334 A N 0.770 123.316 122.820 -0.457 0.000 2.218 334 A HA -0.051 4.269 4.320 -0.000 0.000 0.209 334 A C 0.983 178.488 177.584 -0.132 0.000 1.168 334 A CA -0.236 51.550 52.037 -0.418 0.000 0.804 334 A CB -0.123 18.404 19.000 -0.788 0.000 0.834 334 A HN 0.313 nan 8.150 nan 0.000 0.482 335 Q N -0.089 119.668 119.800 -0.072 0.000 2.262 335 Q HA 0.275 4.615 4.340 -0.000 0.000 0.298 335 Q C 1.119 177.149 176.000 0.050 0.000 1.083 335 Q CA 0.989 56.822 55.803 0.049 0.000 0.962 335 Q CB -0.125 28.733 28.738 0.200 0.000 1.104 335 Q HN 0.911 nan 8.270 nan 0.000 0.376 336 G N 3.279 112.107 108.800 0.047 0.000 2.225 336 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.254 336 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.254 336 G C 0.659 175.597 174.900 0.062 0.000 0.988 336 G CA 0.543 45.675 45.100 0.053 0.000 0.625 336 G HN 0.689 nan 8.290 nan 0.000 0.527 337 Q N -0.624 119.214 119.800 0.063 0.000 2.373 337 Q HA 0.464 4.804 4.340 -0.000 0.000 0.210 337 Q C 1.067 177.123 176.000 0.093 0.000 0.913 337 Q CA 1.238 57.100 55.803 0.098 0.000 0.911 337 Q CB 1.104 29.930 28.738 0.147 0.000 1.040 337 Q HN 1.091 nan 8.270 nan 0.000 0.521 338 V N -4.640 115.303 119.914 0.048 0.000 3.188 338 V HA 0.510 4.630 4.120 -0.000 0.000 0.305 338 V C -0.180 175.899 176.094 -0.025 0.000 1.232 338 V CA -0.789 61.519 62.300 0.013 0.000 1.043 338 V CB 2.099 33.907 31.823 -0.025 0.000 1.068 338 V HN -0.152 nan 8.190 nan 0.000 0.439 339 S N -0.297 115.370 115.700 -0.055 0.000 2.666 339 S HA 0.362 4.832 4.470 -0.000 0.000 0.239 339 S C -0.025 174.371 174.600 -0.340 0.000 1.031 339 S CA 0.453 58.626 58.200 -0.046 0.000 1.015 339 S CB 0.442 63.790 63.200 0.246 0.000 0.981 339 S HN 1.067 nan 8.310 nan 0.000 0.547 340 C N 1.768 120.739 119.300 -0.549 0.000 2.783 340 C HA 0.820 5.280 4.460 -0.000 0.000 0.312 340 C C -0.988 173.722 174.990 -0.467 0.000 1.182 340 C CA -0.632 57.939 59.018 -0.746 0.000 1.432 340 C CB 0.963 27.841 27.740 -1.438 0.000 1.933 340 C HN 0.545 nan 8.230 nan 0.000 0.473 341 M N 5.682 125.052 119.600 -0.383 0.000 2.501 341 M HA 0.731 5.211 4.480 -0.000 0.000 0.293 341 M C -1.972 174.180 176.300 -0.248 0.000 1.192 341 M CA -0.528 54.617 55.300 -0.259 0.000 0.886 341 M CB 1.740 34.239 32.600 -0.168 0.000 1.710 341 M HN 0.671 nan 8.290 nan 0.000 0.457 342 L N 2.515 123.640 121.223 -0.164 0.000 2.381 342 L HA 0.800 5.140 4.340 -0.000 0.000 0.268 342 L C -0.267 176.617 176.870 0.024 0.000 0.997 342 L CA -0.686 54.094 54.840 -0.099 0.000 0.818 342 L CB 2.317 44.328 42.059 -0.081 0.000 1.310 342 L HN 0.847 nan 8.230 nan 0.000 0.416 343 T N -2.311 112.319 114.554 0.127 0.000 2.864 343 T HA 0.532 4.882 4.350 -0.000 0.000 0.289 343 T C 0.459 175.388 174.700 0.382 0.000 1.082 343 T CA -0.150 62.104 62.100 0.256 0.000 1.009 343 T CB 1.886 70.970 68.868 0.360 0.000 1.234 343 T HN 0.627 nan 8.240 nan 0.000 0.526 344 G N -0.517 108.490 108.800 0.345 0.000 3.434 344 G HA2 0.211 4.171 3.960 -0.000 0.000 0.258 344 G HA3 0.211 4.171 3.960 -0.000 0.000 0.258 344 G C -0.198 174.818 174.900 0.193 0.000 1.128 344 G CA -0.428 44.881 45.100 0.348 0.000 0.792 344 G HN 0.692 nan 8.290 nan 0.000 0.539 345 Y N 0.974 121.382 120.300 0.181 0.000 2.712 345 Y HA 0.300 4.850 4.550 -0.000 0.000 0.333 345 Y C 1.594 177.515 175.900 0.034 0.000 1.225 345 Y CA 1.613 59.726 58.100 0.021 0.000 1.499 345 Y CB 0.930 39.348 38.460 -0.070 0.000 1.288 345 Y HN 0.302 nan 8.280 nan 0.000 0.575 346 G N 2.271 110.996 108.800 -0.124 0.000 2.253 346 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.251 346 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.251 346 G C 1.449 176.422 174.900 0.121 0.000 0.998 346 G CA 0.884 46.033 45.100 0.082 0.000 0.621 346 G HN 0.871 nan 8.290 nan 0.000 0.524 347 S N 0.471 116.025 115.700 -0.243 0.000 2.374 347 S HA -0.161 4.309 4.470 -0.000 0.000 0.227 347 S C 1.941 176.491 174.600 -0.085 0.000 1.037 347 S CA 2.243 60.150 58.200 -0.487 0.000 1.024 347 S CB -0.348 62.111 63.200 -1.236 0.000 0.861 347 S HN 0.486 nan 8.310 nan 0.000 0.456 348 D N 1.088 121.412 120.400 -0.128 0.000 2.178 348 D HA -0.034 4.606 4.640 -0.000 0.000 0.201 348 D C 1.803 178.090 176.300 -0.020 0.000 0.980 348 D CA 0.861 54.819 54.000 -0.070 0.000 0.842 348 D CB -0.299 40.420 40.800 -0.134 0.000 0.948 348 D HN 0.448 nan 8.370 nan 0.000 0.472 349 L N -0.189 121.044 121.223 0.017 0.000 2.313 349 L HA 0.008 4.348 4.340 -0.000 0.000 0.214 349 L C 2.200 179.099 176.870 0.048 0.000 1.119 349 L CA 0.374 55.255 54.840 0.068 0.000 0.809 349 L CB -0.090 42.087 42.059 0.197 0.000 0.933 349 L HN 0.032 nan 8.230 nan 0.000 0.449 350 L N -1.857 119.373 121.223 0.011 0.000 2.221 350 L HA 0.028 4.368 4.340 -0.000 0.000 0.202 350 L C 1.639 178.262 176.870 -0.412 0.000 1.074 350 L CA 0.719 55.419 54.840 -0.232 0.000 0.795 350 L CB -0.168 41.683 42.059 -0.347 0.000 0.960 350 L HN 0.091 nan 8.230 nan 0.000 0.458 351 F N 0.094 120.068 119.950 0.039 0.000 2.693 351 F HA 0.341 4.868 4.527 -0.000 0.000 0.303 351 F C 1.483 177.296 175.800 0.021 0.000 1.097 351 F CA 0.353 58.380 58.000 0.045 0.000 1.330 351 F CB 0.200 39.239 39.000 0.065 0.000 1.067 351 F HN 0.143 nan 8.300 nan 0.000 0.565 352 G N 0.222 109.074 108.800 0.087 0.000 2.132 352 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.228 352 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.228 352 G C 1.373 176.279 174.900 0.010 0.000 1.000 352 G CA 0.076 45.189 45.100 0.022 0.000 0.693 352 G HN 0.615 nan 8.290 nan 0.000 0.515 353 G N 0.727 109.532 108.800 0.008 0.000 2.471 353 G HA2 0.114 4.074 3.960 -0.000 0.000 0.219 353 G HA3 0.114 4.074 3.960 -0.000 0.000 0.219 353 G C 1.669 176.534 174.900 -0.059 0.000 1.125 353 G CA 1.308 46.388 45.100 -0.034 0.000 0.775 353 G HN 1.372 nan 8.290 nan 0.000 0.548 354 I N -1.506 119.023 120.570 -0.067 0.000 3.684 354 I HA 0.371 4.541 4.170 -0.000 0.000 0.304 354 I C 0.457 176.542 176.117 -0.054 0.000 1.278 354 I CA -0.360 60.899 61.300 -0.069 0.000 1.272 354 I CB -0.096 37.855 38.000 -0.082 0.000 1.029 354 I HN -0.117 nan 8.210 nan 0.000 0.458 355 L N 1.829 123.013 121.223 -0.066 0.000 2.439 355 L HA 0.326 4.666 4.340 -0.000 0.000 0.261 355 L C 0.443 177.368 176.870 0.092 0.000 1.153 355 L CA -0.355 54.451 54.840 -0.056 0.000 0.808 355 L CB 0.742 42.700 42.059 -0.168 0.000 1.126 355 L HN 0.133 nan 8.230 nan 0.000 0.460 356 K N 2.621 123.171 120.400 0.249 0.000 2.248 356 K HA 0.337 4.657 4.320 -0.000 0.000 0.281 356 K C -2.402 174.300 176.600 0.171 0.000 1.054 356 K CA -1.708 54.685 56.287 0.176 0.000 0.903 356 K CB 1.195 33.789 32.500 0.158 0.000 1.077 356 K HN 0.164 nan 8.250 nan 0.000 0.474 357 P HA -0.025 nan 4.420 nan 0.000 0.264 357 P C 0.407 177.754 177.300 0.079 0.000 1.183 357 P CA 0.861 64.023 63.100 0.104 0.000 0.763 357 P CB 0.673 32.432 31.700 0.097 0.000 0.807 358 G N 1.513 110.351 108.800 0.064 0.000 2.257 358 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.267 358 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.267 358 G C 0.523 175.424 174.900 0.002 0.000 0.984 358 G CA 0.209 45.320 45.100 0.018 0.000 0.626 358 G HN 0.877 nan 8.290 nan 0.000 0.540 359 A N -0.461 122.372 122.820 0.022 0.000 2.332 359 A HA 0.722 5.042 4.320 -0.000 0.000 0.258 359 A C 0.352 177.858 177.584 -0.130 0.000 1.087 359 A CA 0.734 52.716 52.037 -0.091 0.000 0.802 359 A CB 0.736 19.639 19.000 -0.161 0.000 1.042 359 A HN 0.772 nan 8.150 nan 0.000 0.489 360 Q N -0.211 119.432 119.800 -0.262 0.000 2.245 360 Q HA 0.599 4.939 4.340 -0.000 0.000 0.256 360 Q C -2.110 173.639 176.000 -0.419 0.000 0.942 360 Q CA 0.132 55.822 55.803 -0.188 0.000 0.896 360 Q CB 0.843 29.512 28.738 -0.115 0.000 1.272 360 Q HN 0.560 nan 8.270 nan 0.000 0.442 361 Y N 1.864 122.170 120.300 0.008 0.000 2.386 361 Y HA 0.244 4.794 4.550 -0.000 0.000 0.334 361 Y C 0.298 176.197 175.900 -0.001 0.000 1.002 361 Y CA -0.854 57.249 58.100 0.004 0.000 1.068 361 Y CB 2.103 40.566 38.460 0.005 0.000 1.203 361 Y HN 0.699 nan 8.280 nan 0.000 0.443 362 D N 0.946 121.421 120.400 0.126 0.000 2.178 362 D HA -0.130 4.510 4.640 -0.000 0.000 0.201 362 D C 0.263 176.602 176.300 0.065 0.000 0.980 362 D CA 1.616 55.658 54.000 0.070 0.000 0.842 362 D CB 0.326 41.151 40.800 0.042 0.000 0.948 362 D HN 0.342 nan 8.370 nan 0.000 0.472 363 N N -0.734 118.016 118.700 0.084 0.000 2.751 363 N HA 0.067 4.807 4.740 -0.000 0.000 0.234 363 N C -2.218 173.294 175.510 0.002 0.000 1.403 363 N CA -1.096 51.968 53.050 0.025 0.000 0.747 363 N CB 1.454 39.943 38.487 0.003 0.000 1.326 363 N HN -0.168 nan 8.380 nan 0.000 0.532 364 P HA -0.091 nan 4.420 nan 0.000 0.216 364 P C 0.810 178.020 177.300 -0.151 0.000 1.150 364 P CA 0.992 63.994 63.100 -0.162 0.000 0.837 364 P CB 0.625 32.219 31.700 -0.176 0.000 0.786 365 N N 0.108 118.734 118.700 -0.123 0.000 2.244 365 N HA -0.153 4.587 4.740 -0.000 0.000 0.183 365 N C 2.040 177.464 175.510 -0.144 0.000 1.016 365 N CA 0.931 53.888 53.050 -0.155 0.000 0.866 365 N CB -0.675 37.694 38.487 -0.197 0.000 0.980 365 N HN 0.382 nan 8.380 nan 0.000 0.430 366 Q N 0.153 119.892 119.800 -0.103 0.000 2.079 366 Q HA -0.072 4.268 4.340 -0.000 0.000 0.200 366 Q C 1.875 177.849 176.000 -0.042 0.000 0.974 366 Q CA 0.850 56.616 55.803 -0.062 0.000 0.840 366 Q CB -0.059 28.658 28.738 -0.036 0.000 0.898 366 Q HN 0.125 nan 8.270 nan 0.000 0.430 367 L N 0.575 121.766 121.223 -0.054 0.000 2.083 367 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 367 L C 2.127 178.968 176.870 -0.049 0.000 1.083 367 L CA 1.504 56.314 54.840 -0.049 0.000 0.752 367 L CB -0.403 41.602 42.059 -0.089 0.000 0.899 367 L HN 0.307 nan 8.230 nan 0.000 0.433 368 L N -1.707 119.472 121.223 -0.073 0.000 2.044 368 L HA -0.141 4.199 4.340 -0.000 0.000 0.205 368 L C 2.654 179.534 176.870 0.017 0.000 1.075 368 L CA 1.084 55.897 54.840 -0.045 0.000 0.747 368 L CB -0.987 41.026 42.059 -0.077 0.000 0.903 368 L HN 0.257 nan 8.230 nan 0.000 0.435 369 A N 0.132 122.960 122.820 0.012 0.000 1.917 369 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 369 A C 2.150 179.813 177.584 0.131 0.000 1.182 369 A CA 2.012 54.106 52.037 0.096 0.000 0.633 369 A CB -0.570 18.496 19.000 0.110 0.000 0.819 369 A HN 0.475 nan 8.150 nan 0.000 0.448 370 E N -0.790 119.457 120.200 0.078 0.000 2.085 370 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 370 E C 2.284 178.976 176.600 0.154 0.000 0.994 370 E CA 1.351 57.804 56.400 0.089 0.000 0.801 370 E CB -0.103 29.621 29.700 0.040 0.000 0.743 370 E HN 0.580 nan 8.360 nan 0.000 0.453 371 Q N -0.003 119.863 119.800 0.110 0.000 2.172 371 Q HA -0.074 4.266 4.340 -0.000 0.000 0.200 371 Q C 2.387 178.489 176.000 0.169 0.000 0.964 371 Q CA 0.715 56.574 55.803 0.094 0.000 0.855 371 Q CB -0.196 28.560 28.738 0.030 0.000 0.918 371 Q HN 0.217 nan 8.270 nan 0.000 0.444 372 V N 0.468 120.535 119.914 0.255 0.000 2.407 372 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 372 V C 2.049 178.374 176.094 0.384 0.000 1.055 372 V CA 1.720 64.273 62.300 0.423 0.000 1.049 372 V CB -0.666 31.326 31.823 0.282 0.000 0.662 372 V HN 0.303 nan 8.190 nan 0.000 0.455 373 Y N 1.009 121.413 120.300 0.173 0.000 2.263 373 Y HA -0.130 4.420 4.550 -0.000 0.000 0.292 373 Y C 2.692 178.678 175.900 0.142 0.000 1.130 373 Y CA 1.782 59.977 58.100 0.158 0.000 1.179 373 Y CB -0.248 38.296 38.460 0.141 0.000 0.998 373 Y HN 0.066 nan 8.280 nan 0.000 0.532 374 R N 0.002 120.684 120.500 0.304 0.000 2.103 374 R HA -0.188 4.152 4.340 -0.000 0.000 0.242 374 R C 2.150 178.168 176.300 -0.469 0.000 1.142 374 R CA 2.221 58.347 56.100 0.042 0.000 0.960 374 R CB -0.664 29.642 30.300 0.009 0.000 0.858 374 R HN 0.558 nan 8.270 nan 0.000 0.439 375 T N -1.878 112.538 114.554 -0.230 0.000 2.977 375 T HA -0.109 4.240 4.350 -0.000 0.000 0.271 375 T C 1.664 176.254 174.700 -0.182 0.000 1.105 375 T CA 1.082 63.030 62.100 -0.252 0.000 1.116 375 T CB -0.274 68.603 68.868 0.015 0.000 0.878 375 T HN 0.369 nan 8.240 nan 0.000 0.509 376 R N 0.212 120.616 120.500 -0.161 0.000 2.115 376 R HA 0.046 4.386 4.340 -0.000 0.000 0.230 376 R C 2.295 178.586 176.300 -0.015 0.000 1.111 376 R CA 1.697 57.738 56.100 -0.098 0.000 0.976 376 R CB -0.222 29.954 30.300 -0.206 0.000 0.870 376 R HN 0.814 nan 8.270 nan 0.000 0.445 377 W N -0.206 121.070 121.300 -0.039 0.000 3.058 377 W HA 0.173 4.832 4.660 -0.000 0.000 0.306 377 W C 1.020 177.536 176.519 -0.003 0.000 1.188 377 W CA 0.652 58.014 57.345 0.027 0.000 1.651 377 W CB -0.535 28.985 29.460 0.100 0.000 1.051 377 W HN -0.054 nan 8.180 nan 0.000 0.592 378 T N -1.147 113.060 114.554 -0.577 0.000 2.821 378 T HA 0.137 4.487 4.350 -0.000 0.000 0.267 378 T C 1.923 176.462 174.700 -0.269 0.000 1.046 378 T CA 2.235 63.961 62.100 -0.624 0.000 1.139 378 T CB -0.833 67.528 68.868 -0.844 0.000 0.871 378 T HN 0.524 nan 8.240 nan 0.000 0.454 379 G N 0.889 109.598 108.800 -0.152 0.000 2.184 379 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.206 379 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.206 379 G C 0.615 175.463 174.900 -0.086 0.000 0.995 379 G CA 0.351 45.438 45.100 -0.021 0.000 0.651 379 G HN 0.561 nan 8.290 nan 0.000 0.511 380 E N -0.549 119.489 120.200 -0.270 0.000 2.160 380 E HA -0.006 4.344 4.350 -0.000 0.000 0.195 380 E C 1.387 177.669 176.600 -0.529 0.000 0.991 380 E CA 1.092 57.229 56.400 -0.439 0.000 0.810 380 E CB -0.139 29.141 29.700 -0.699 0.000 0.742 380 E HN 0.548 nan 8.360 nan 0.000 0.466 381 F N 0.501 120.309 119.950 -0.236 0.000 2.732 381 F HA 0.270 4.797 4.527 -0.000 0.000 0.303 381 F C 0.896 176.749 175.800 0.089 0.000 1.110 381 F CA -0.469 57.446 58.000 -0.143 0.000 1.355 381 F CB -0.073 38.727 39.000 -0.334 0.000 1.081 381 F HN -0.154 nan 8.300 nan 0.000 0.565 382 A N 0.183 123.103 122.820 0.167 0.000 2.445 382 A HA 0.347 4.667 4.320 -0.000 0.000 0.242 382 A C 1.346 178.964 177.584 0.058 0.000 1.075 382 A CA 0.508 52.584 52.037 0.065 0.000 0.777 382 A CB -0.003 19.016 19.000 0.031 0.000 1.013 382 A HN 0.348 nan 8.150 nan 0.000 0.493 383 T N -1.654 112.844 114.554 -0.094 0.000 3.054 383 T HA 0.104 4.454 4.350 -0.000 0.000 0.255 383 T C 1.076 175.761 174.700 -0.025 0.000 1.035 383 T CA 0.461 62.552 62.100 -0.015 0.000 0.941 383 T CB -0.366 68.537 68.868 0.058 0.000 1.026 383 T HN 0.706 nan 8.240 nan 0.000 0.533 384 H N 1.999 121.174 119.070 0.174 0.000 2.319 384 H HA 0.034 4.590 4.556 -0.000 0.000 0.299 384 H C 2.615 178.011 175.328 0.113 0.000 1.092 384 H CA 1.587 57.734 56.048 0.166 0.000 1.302 384 H CB -1.089 28.804 29.762 0.219 0.000 1.373 384 H HN 0.535 nan 8.280 nan 0.000 0.497 385 G N 0.863 109.850 108.800 0.311 0.000 2.514 385 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 385 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 385 G C 2.052 176.779 174.900 -0.288 0.000 1.198 385 G CA 1.920 47.084 45.100 0.107 0.000 0.780 385 G HN 0.567 nan 8.290 nan 0.000 0.565 386 A N 0.263 122.749 122.820 -0.556 0.000 1.933 386 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 386 A C 2.651 180.001 177.584 -0.390 0.000 1.175 386 A CA 2.397 53.874 52.037 -0.934 0.000 0.628 386 A CB -0.806 17.605 19.000 -0.981 0.000 0.814 386 A HN 0.502 nan 8.150 nan 0.000 0.444 387 S N -1.159 114.429 115.700 -0.186 0.000 2.368 387 S HA -0.196 4.274 4.470 -0.000 0.000 0.225 387 S C 1.823 176.376 174.600 -0.078 0.000 1.030 387 S CA 1.596 59.755 58.200 -0.068 0.000 0.999 387 S CB -0.772 62.456 63.200 0.046 0.000 0.844 387 S HN 0.637 nan 8.310 nan 0.000 0.459 388 C N 0.572 119.797 119.300 -0.125 0.000 2.466 388 C HA 0.145 4.604 4.460 -0.000 0.000 0.283 388 C C 1.409 176.180 174.990 -0.365 0.000 1.472 388 C CA 0.118 59.017 59.018 -0.198 0.000 1.765 388 C CB -1.824 25.774 27.740 -0.236 0.000 1.724 388 C HN 0.700 nan 8.230 nan 0.000 0.560 389 Y N -0.070 120.091 120.300 -0.232 0.000 2.524 389 Y HA 0.306 4.856 4.550 -0.000 0.000 0.266 389 Y C 1.793 177.597 175.900 -0.159 0.000 1.180 389 Y CA 0.559 58.539 58.100 -0.198 0.000 1.244 389 Y CB -0.297 37.994 38.460 -0.282 0.000 1.125 389 Y HN 0.288 nan 8.280 nan 0.000 0.524 390 G N 1.172 109.949 108.800 -0.038 0.000 2.160 390 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.251 390 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.251 390 G C -0.096 174.780 174.900 -0.040 0.000 1.008 390 G CA 0.250 45.340 45.100 -0.015 0.000 0.724 390 G HN 0.347 nan 8.290 nan 0.000 0.514 391 I N 0.309 120.806 120.570 -0.121 0.000 2.433 391 I HA 0.301 4.471 4.170 -0.000 0.000 0.292 391 I C -0.692 175.300 176.117 -0.208 0.000 1.001 391 I CA -0.918 60.261 61.300 -0.201 0.000 1.119 391 I CB 1.858 39.655 38.000 -0.338 0.000 1.289 391 I HN 0.002 nan 8.210 nan 0.000 0.438 392 D N 7.157 127.443 120.400 -0.190 0.000 2.411 392 D HA 0.197 4.837 4.640 -0.000 0.000 0.225 392 D C -0.591 175.549 176.300 -0.266 0.000 1.156 392 D CA -0.417 53.492 54.000 -0.152 0.000 0.874 392 D CB 0.831 41.584 40.800 -0.079 0.000 1.034 392 D HN 0.239 nan 8.370 nan 0.000 0.502 393 I N 3.617 124.029 120.570 -0.264 0.000 2.441 393 I HA 0.286 4.456 4.170 -0.000 0.000 0.287 393 I C -0.343 175.522 176.117 -0.421 0.000 1.049 393 I CA -0.056 61.050 61.300 -0.324 0.000 1.381 393 I CB 0.411 38.254 38.000 -0.261 0.000 1.409 393 I HN 0.235 nan 8.210 nan 0.000 0.523 394 R N 5.297 125.484 120.500 -0.522 0.000 2.686 394 R HA 0.523 4.863 4.340 -0.000 0.000 0.283 394 R C -1.383 174.603 176.300 -0.522 0.000 0.978 394 R CA -0.620 55.141 56.100 -0.565 0.000 0.897 394 R CB 1.210 31.230 30.300 -0.466 0.000 1.192 394 R HN 0.553 nan 8.270 nan 0.000 0.457 395 H N 4.147 123.239 119.070 0.037 0.000 2.645 395 H HA 0.210 4.766 4.556 -0.000 0.000 0.257 395 H C -1.963 173.528 175.328 0.273 0.000 1.269 395 H CA -2.032 54.166 56.048 0.250 0.000 1.409 395 H CB 1.378 31.399 29.762 0.432 0.000 1.434 395 H HN 0.368 nan 8.280 nan 0.000 0.505 396 P HA -0.209 nan 4.420 nan 0.000 0.218 396 P C 1.260 178.675 177.300 0.191 0.000 1.152 396 P CA 1.369 64.548 63.100 0.132 0.000 0.857 396 P CB 0.021 31.741 31.700 0.033 0.000 0.787 397 F N -3.090 117.053 119.950 0.323 0.000 2.325 397 F HA -0.049 4.478 4.527 -0.000 0.000 0.299 397 F C 1.663 177.681 175.800 0.363 0.000 1.090 397 F CA 0.579 58.791 58.000 0.353 0.000 1.392 397 F CB -0.494 38.768 39.000 0.436 0.000 1.053 397 F HN 0.006 nan 8.300 nan 0.000 0.521 398 W N 2.982 124.493 121.300 0.351 0.000 1.395 398 W HA 0.202 4.862 4.660 -0.000 0.000 0.451 398 W C 0.281 176.870 176.519 0.118 0.000 0.619 398 W CA -0.235 57.227 57.345 0.195 0.000 2.212 398 W CB -0.252 29.276 29.460 0.113 0.000 1.537 398 W HN -0.105 nan 8.180 nan 0.000 0.275 399 S N -0.534 115.144 115.700 -0.036 0.000 2.578 399 S HA 0.255 4.725 4.470 -0.000 0.000 0.301 399 S C 0.969 175.394 174.600 -0.290 0.000 1.091 399 S CA -0.629 57.464 58.200 -0.178 0.000 1.032 399 S CB 1.466 64.572 63.200 -0.157 0.000 1.064 399 S HN 0.302 nan 8.310 nan 0.000 0.508 400 H N 2.050 120.974 119.070 -0.244 0.000 2.319 400 H HA -0.037 4.519 4.556 -0.000 0.000 0.299 400 H C 2.246 177.353 175.328 -0.368 0.000 1.092 400 H CA 1.968 57.840 56.048 -0.294 0.000 1.302 400 H CB -0.854 28.762 29.762 -0.243 0.000 1.373 400 H HN 0.656 nan 8.280 nan 0.000 0.497 401 S N 0.592 116.065 115.700 -0.379 0.000 2.359 401 S HA -0.119 4.351 4.470 -0.000 0.000 0.224 401 S C 2.296 176.558 174.600 -0.563 0.000 1.035 401 S CA 1.053 58.848 58.200 -0.675 0.000 1.018 401 S CB -0.375 61.978 63.200 -1.412 0.000 0.876 401 S HN 0.149 nan 8.310 nan 0.000 0.448 402 L N 1.597 122.573 121.223 -0.412 0.000 2.072 402 L HA 0.098 4.438 4.340 -0.000 0.000 0.205 402 L C 1.895 178.654 176.870 -0.185 0.000 1.079 402 L CA 1.411 56.161 54.840 -0.149 0.000 0.752 402 L CB -0.502 41.559 42.059 0.003 0.000 0.906 402 L HN 0.285 nan 8.230 nan 0.000 0.436 403 I N -1.336 119.069 120.570 -0.275 0.000 2.179 403 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 403 I C 2.353 178.346 176.117 -0.206 0.000 1.088 403 I CA 1.400 62.497 61.300 -0.338 0.000 1.357 403 I CB -0.452 37.231 38.000 -0.528 0.000 1.051 403 I HN 0.172 nan 8.210 nan 0.000 0.409 404 S N 0.731 116.324 115.700 -0.178 0.000 2.382 404 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 404 S C 2.010 176.584 174.600 -0.043 0.000 1.027 404 S CA 1.027 59.164 58.200 -0.106 0.000 0.991 404 S CB -0.328 62.796 63.200 -0.126 0.000 0.823 404 S HN 0.374 nan 8.310 nan 0.000 0.469 405 L N 0.703 121.887 121.223 -0.065 0.000 2.017 405 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 405 L C 2.026 178.876 176.870 -0.032 0.000 1.073 405 L CA 1.400 56.235 54.840 -0.008 0.000 0.745 405 L CB -0.366 41.722 42.059 0.048 0.000 0.894 405 L HN 0.412 nan 8.230 nan 0.000 0.432 406 C N -1.524 117.708 119.300 -0.113 0.000 2.468 406 C HA -0.105 4.355 4.460 -0.000 0.000 0.277 406 C C 2.463 177.386 174.990 -0.111 0.000 1.400 406 C CA 0.408 59.317 59.018 -0.181 0.000 1.770 406 C CB -1.270 26.229 27.740 -0.401 0.000 1.905 406 C HN 0.649 nan 8.230 nan 0.000 0.519 407 H N 1.819 120.813 119.070 -0.126 0.000 2.325 407 H HA -0.207 4.349 4.556 -0.000 0.000 0.293 407 H C 1.678 176.972 175.328 -0.056 0.000 1.106 407 H CA 2.391 58.385 56.048 -0.089 0.000 1.247 407 H CB 0.014 29.729 29.762 -0.078 0.000 1.359 407 H HN 0.408 nan 8.280 nan 0.000 0.488 408 A N -0.344 122.375 122.820 -0.168 0.000 2.610 408 A HA 0.286 4.606 4.320 -0.000 0.000 0.291 408 A C -0.068 177.488 177.584 -0.047 0.000 1.116 408 A CA -0.412 51.521 52.037 -0.173 0.000 0.963 408 A CB -0.188 18.780 19.000 -0.054 0.000 1.220 408 A HN 0.303 nan 8.150 nan 0.000 0.530 409 L N 1.465 122.681 121.223 -0.013 0.000 2.499 409 L HA 0.081 4.421 4.340 -0.000 0.000 0.273 409 L C 0.767 177.727 176.870 0.149 0.000 1.195 409 L CA 0.156 55.051 54.840 0.091 0.000 0.882 409 L CB -0.096 42.010 42.059 0.077 0.000 1.133 409 L HN 0.494 nan 8.230 nan 0.000 0.483 410 H N 7.030 126.200 119.070 0.166 0.000 3.195 410 H HA -0.055 4.501 4.556 -0.000 0.000 0.302 410 H C -1.777 173.618 175.328 0.112 0.000 0.950 410 H CA -0.597 55.514 56.048 0.105 0.000 1.398 410 H CB 0.839 30.624 29.762 0.039 0.000 1.377 410 H HN 0.547 nan 8.280 nan 0.000 0.572 411 P HA -0.146 nan 4.420 nan 0.000 0.216 411 P C 0.976 178.418 177.300 0.237 0.000 1.150 411 P CA 1.278 64.437 63.100 0.099 0.000 0.843 411 P CB 0.315 32.012 31.700 -0.005 0.000 0.787 412 D N -2.176 118.431 120.400 0.346 0.000 2.315 412 D HA -0.174 4.466 4.640 -0.000 0.000 0.211 412 D C 1.335 177.625 176.300 -0.016 0.000 0.977 412 D CA 1.106 55.164 54.000 0.096 0.000 0.894 412 D CB -0.615 39.992 40.800 -0.322 0.000 0.910 412 D HN 0.301 nan 8.370 nan 0.000 0.490 413 Y N 0.394 120.773 120.300 0.132 0.000 2.517 413 Y HA 0.107 4.657 4.550 -0.000 0.000 0.281 413 Y C 2.049 178.056 175.900 0.177 0.000 1.125 413 Y CA 0.508 58.679 58.100 0.119 0.000 1.283 413 Y CB 0.288 38.829 38.460 0.135 0.000 1.042 413 Y HN -0.070 nan 8.280 nan 0.000 0.547 414 K N -0.417 120.179 120.400 0.327 0.000 2.313 414 K HA 0.266 4.586 4.320 -0.000 0.000 0.197 414 K C 0.039 176.764 176.600 0.209 0.000 1.061 414 K CA 0.449 56.889 56.287 0.255 0.000 0.980 414 K CB 1.156 33.758 32.500 0.169 0.000 0.888 414 K HN 0.051 nan 8.250 nan 0.000 0.502 415 I N 0.442 121.150 120.570 0.229 0.000 2.563 415 I HA 0.350 4.520 4.170 -0.000 0.000 0.285 415 I C -2.029 174.288 176.117 0.333 0.000 1.123 415 I CA -0.833 60.604 61.300 0.229 0.000 1.059 415 I CB 1.066 39.172 38.000 0.176 0.000 1.229 415 I HN -0.089 nan 8.210 nan 0.000 0.442 416 F N 7.371 127.382 119.950 0.103 0.000 2.665 416 F HA 0.277 4.804 4.527 -0.000 0.000 0.308 416 F C -0.712 175.133 175.800 0.074 0.000 1.112 416 F CA -0.322 57.726 58.000 0.081 0.000 0.972 416 F CB 1.334 40.372 39.000 0.064 0.000 1.295 416 F HN 0.711 nan 8.300 nan 0.000 0.440 417 D N 4.260 124.349 120.400 -0.518 0.000 2.740 417 D HA -0.311 4.329 4.640 -0.000 0.000 0.231 417 D C -0.371 175.888 176.300 -0.068 0.000 1.194 417 D CA 1.103 54.925 54.000 -0.298 0.000 0.673 417 D CB -1.257 39.463 40.800 -0.133 0.000 0.995 417 D HN 0.829 nan 8.370 nan 0.000 0.411 418 N N -0.524 118.144 118.700 -0.053 0.000 2.725 418 N HA -0.177 4.563 4.740 -0.000 0.000 0.249 418 N C -0.406 175.151 175.510 0.079 0.000 1.103 418 N CA 1.585 54.645 53.050 0.017 0.000 0.707 418 N CB -0.392 38.100 38.487 0.007 0.000 1.043 418 N HN 0.698 nan 8.380 nan 0.000 0.553 419 E N -0.556 119.707 120.200 0.106 0.000 2.433 419 E HA 0.642 4.992 4.350 -0.000 0.000 0.273 419 E C -0.651 176.039 176.600 0.151 0.000 0.950 419 E CA -0.690 55.799 56.400 0.147 0.000 0.796 419 E CB 2.928 32.730 29.700 0.170 0.000 1.330 419 E HN -0.082 nan 8.360 nan 0.000 0.455 420 V N 1.284 121.279 119.914 0.135 0.000 2.876 420 V HA 0.292 4.412 4.120 -0.000 0.000 0.312 420 V C -0.355 175.811 176.094 0.119 0.000 1.085 420 V CA -0.658 61.714 62.300 0.120 0.000 0.945 420 V CB 1.847 33.712 31.823 0.070 0.000 1.017 420 V HN 0.753 nan 8.190 nan 0.000 0.428 421 K N 2.138 122.629 120.400 0.151 0.000 3.129 421 K HA -0.236 4.084 4.320 -0.000 0.000 0.273 421 K C 0.922 177.605 176.600 0.138 0.000 1.123 421 K CA 0.820 57.203 56.287 0.160 0.000 0.800 421 K CB -1.100 31.451 32.500 0.085 0.000 1.238 421 K HN 0.814 nan 8.250 nan 0.000 0.492 422 N N 0.817 119.629 118.700 0.187 0.000 2.021 422 N HA -0.201 4.539 4.740 -0.000 0.000 0.198 422 N C 1.554 177.163 175.510 0.164 0.000 1.041 422 N CA 1.680 54.842 53.050 0.187 0.000 0.862 422 N CB -0.145 38.481 38.487 0.233 0.000 1.048 422 N HN 0.322 nan 8.380 nan 0.000 0.427 423 I N 0.550 121.241 120.570 0.202 0.000 2.286 423 I HA -0.122 4.048 4.170 -0.000 0.000 0.248 423 I C 1.811 177.943 176.117 0.024 0.000 1.115 423 I CA 0.980 62.361 61.300 0.135 0.000 1.392 423 I CB -0.278 37.783 38.000 0.102 0.000 1.065 423 I HN 0.225 nan 8.210 nan 0.000 0.418 424 L N -0.078 121.081 121.223 -0.107 0.000 2.056 424 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 424 L C 2.694 179.563 176.870 -0.001 0.000 1.078 424 L CA 1.414 56.109 54.840 -0.241 0.000 0.749 424 L CB -0.402 41.359 42.059 -0.498 0.000 0.901 424 L HN 0.243 nan 8.230 nan 0.000 0.433 425 R N -0.293 120.223 120.500 0.026 0.000 2.075 425 R HA -0.169 4.171 4.340 -0.000 0.000 0.232 425 R C 2.016 178.352 176.300 0.061 0.000 1.126 425 R CA 1.377 57.512 56.100 0.058 0.000 0.963 425 R CB -0.252 30.101 30.300 0.088 0.000 0.858 425 R HN 0.497 nan 8.270 nan 0.000 0.435 426 E N 0.084 120.332 120.200 0.079 0.000 2.051 426 E HA -0.248 4.102 4.350 -0.000 0.000 0.192 426 E C 1.784 178.422 176.600 0.062 0.000 0.991 426 E CA 1.368 57.812 56.400 0.074 0.000 0.799 426 E CB -0.254 29.503 29.700 0.096 0.000 0.748 426 E HN 0.344 nan 8.360 nan 0.000 0.449 427 Y N 1.541 121.826 120.300 -0.024 0.000 2.181 427 Y HA -0.212 4.338 4.550 -0.000 0.000 0.288 427 Y C 2.184 178.073 175.900 -0.019 0.000 1.146 427 Y CA 1.226 59.306 58.100 -0.034 0.000 1.164 427 Y CB -0.468 37.951 38.460 -0.068 0.000 0.982 427 Y HN -0.008 nan 8.280 nan 0.000 0.515 428 A N 1.063 123.791 122.820 -0.153 0.000 1.841 428 A HA -0.282 4.038 4.320 -0.000 0.000 0.216 428 A C 1.880 179.350 177.584 -0.191 0.000 1.199 428 A CA 2.332 54.253 52.037 -0.193 0.000 0.621 428 A CB -1.306 17.684 19.000 -0.017 0.000 0.835 428 A HN 0.676 nan 8.150 nan 0.000 0.445 429 D N 0.067 120.411 120.400 -0.093 0.000 2.310 429 D HA -0.121 4.519 4.640 -0.000 0.000 0.212 429 D C 1.767 178.007 176.300 -0.099 0.000 0.965 429 D CA 1.481 55.439 54.000 -0.070 0.000 0.879 429 D CB -0.763 40.026 40.800 -0.018 0.000 0.921 429 D HN 0.486 nan 8.370 nan 0.000 0.510 430 S N -0.311 115.304 115.700 -0.142 0.000 2.469 430 S HA -0.087 4.383 4.470 -0.000 0.000 0.238 430 S C 1.636 176.140 174.600 -0.160 0.000 0.998 430 S CA 0.180 58.305 58.200 -0.126 0.000 0.957 430 S CB -0.469 62.665 63.200 -0.109 0.000 0.764 430 S HN 0.162 nan 8.310 nan 0.000 0.514 431 L N 1.003 122.087 121.223 -0.232 0.000 2.478 431 L HA 0.222 4.562 4.340 -0.000 0.000 0.223 431 L C 1.061 177.870 176.870 -0.102 0.000 1.140 431 L CA 0.775 55.501 54.840 -0.191 0.000 0.842 431 L CB -1.011 40.903 42.059 -0.241 0.000 0.953 431 L HN 0.280 nan 8.230 nan 0.000 0.452 432 Q N -1.455 118.296 119.800 -0.082 0.000 2.461 432 Q HA -0.254 4.086 4.340 -0.000 0.000 0.273 432 Q C 0.905 176.883 176.000 -0.036 0.000 1.163 432 Q CA 0.690 56.465 55.803 -0.047 0.000 0.929 432 Q CB -1.941 26.774 28.738 -0.038 0.000 1.334 432 Q HN 0.345 nan 8.270 nan 0.000 0.499 433 L N -1.696 119.503 121.223 -0.040 0.000 2.685 433 L HA 0.239 4.579 4.340 -0.000 0.000 0.235 433 L C 0.186 177.052 176.870 -0.006 0.000 1.070 433 L CA 0.665 55.492 54.840 -0.021 0.000 0.888 433 L CB 0.450 42.497 42.059 -0.021 0.000 1.203 433 L HN 0.130 nan 8.230 nan 0.000 0.499 434 L N 1.114 122.332 121.223 -0.008 0.000 2.325 434 L HA 0.502 4.842 4.340 -0.000 0.000 0.278 434 L C -2.108 174.773 176.870 0.019 0.000 1.023 434 L CA -1.917 52.931 54.840 0.013 0.000 0.811 434 L CB 0.851 42.921 42.059 0.019 0.000 1.249 434 L HN -0.074 nan 8.230 nan 0.000 0.431 435 P HA 0.119 nan 4.420 nan 0.000 0.271 435 P C 0.163 177.492 177.300 0.047 0.000 1.216 435 P CA -0.450 62.672 63.100 0.037 0.000 0.771 435 P CB 0.980 32.709 31.700 0.048 0.000 0.864 436 K N 1.953 122.373 120.400 0.032 0.000 2.107 436 K HA -0.195 4.125 4.320 -0.000 0.000 0.211 436 K C 1.322 177.948 176.600 0.044 0.000 1.049 436 K CA 1.790 58.095 56.287 0.031 0.000 0.927 436 K CB -0.557 31.947 32.500 0.007 0.000 0.714 436 K HN 0.535 nan 8.250 nan 0.000 0.452 437 D N 0.638 121.061 120.400 0.038 0.000 2.126 437 D HA -0.205 4.435 4.640 -0.000 0.000 0.190 437 D C 2.119 178.507 176.300 0.148 0.000 1.001 437 D CA 1.413 55.438 54.000 0.042 0.000 0.841 437 D CB -0.374 40.476 40.800 0.084 0.000 0.949 437 D HN 0.288 nan 8.370 nan 0.000 0.446 438 I N 0.805 121.473 120.570 0.165 0.000 2.286 438 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 438 I C 2.538 178.778 176.117 0.205 0.000 1.104 438 I CA 0.488 61.895 61.300 0.178 0.000 1.397 438 I CB -0.158 37.914 38.000 0.120 0.000 1.072 438 I HN -0.147 nan 8.210 nan 0.000 0.417 439 V N -0.705 119.305 119.914 0.160 0.000 2.594 439 V HA -0.235 3.884 4.120 -0.000 0.000 0.253 439 V C 0.849 177.102 176.094 0.265 0.000 1.069 439 V CA 1.189 63.575 62.300 0.142 0.000 1.082 439 V CB -0.826 31.048 31.823 0.085 0.000 0.680 439 V HN 0.714 nan 8.190 nan 0.000 0.469 440 W N -0.475 120.803 121.300 -0.036 0.000 3.207 440 W HA -0.244 4.416 4.660 -0.000 0.000 0.291 440 W C 1.028 177.542 176.519 -0.008 0.000 1.105 440 W CA 1.342 58.667 57.345 -0.034 0.000 0.612 440 W CB -0.972 28.457 29.460 -0.051 0.000 2.140 440 W HN 0.458 nan 8.180 nan 0.000 1.420 452 V N 2.968 122.902 119.914 0.033 0.000 2.358 452 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 452 V C 2.660 178.817 176.094 0.106 0.000 1.047 452 V CA 2.180 64.509 62.300 0.050 0.000 1.035 452 V CB -0.628 31.213 31.823 0.030 0.000 0.658 452 V HN 0.806 nan 8.190 nan 0.000 0.452 453 N N 1.116 119.887 118.700 0.118 0.000 2.205 453 N HA -0.279 4.461 4.740 -0.000 0.000 0.186 453 N C 1.820 177.377 175.510 0.079 0.000 1.015 453 N CA 2.002 55.144 53.050 0.153 0.000 0.862 453 N CB -0.335 38.249 38.487 0.162 0.000 0.986 453 N HN 0.569 nan 8.380 nan 0.000 0.429 454 Q N 0.882 120.713 119.800 0.052 0.000 2.062 454 Q HA 0.215 4.554 4.340 -0.000 0.000 0.196 454 Q C 2.136 178.151 176.000 0.024 0.000 0.967 454 Q CA 1.868 57.681 55.803 0.016 0.000 0.832 454 Q CB -0.582 28.163 28.738 0.011 0.000 0.899 454 Q HN 0.410 nan 8.270 nan 0.000 0.442 455 A N 0.017 122.867 122.820 0.051 0.000 1.933 455 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 455 A C 2.138 179.789 177.584 0.112 0.000 1.175 455 A CA 1.264 53.334 52.037 0.056 0.000 0.628 455 A CB -1.084 17.945 19.000 0.048 0.000 0.814 455 A HN 0.615 nan 8.150 nan 0.000 0.444 456 F N 0.633 120.545 119.950 -0.064 0.000 2.075 456 F HA -0.164 4.363 4.527 -0.000 0.000 0.297 456 F C 2.654 178.367 175.800 -0.146 0.000 1.113 456 F CA 0.990 58.933 58.000 -0.095 0.000 1.218 456 F CB -0.110 38.852 39.000 -0.063 0.000 0.984 456 F HN 0.318 nan 8.300 nan 0.000 0.472 457 A N 0.471 123.210 122.820 -0.135 0.000 1.940 457 A HA -0.282 4.038 4.320 -0.000 0.000 0.219 457 A C 1.704 179.179 177.584 -0.182 0.000 1.176 457 A CA 2.160 54.031 52.037 -0.276 0.000 0.631 457 A CB -1.087 17.782 19.000 -0.219 0.000 0.814 457 A HN 0.531 nan 8.150 nan 0.000 0.446 458 N N 0.020 118.665 118.700 -0.091 0.000 2.043 458 N HA -0.168 4.572 4.740 -0.000 0.000 0.193 458 N C 1.796 177.257 175.510 -0.082 0.000 1.037 458 N CA 2.235 55.245 53.050 -0.068 0.000 0.851 458 N CB -0.579 37.890 38.487 -0.029 0.000 1.027 458 N HN 0.503 nan 8.380 nan 0.000 0.422 459 V N -1.150 118.718 119.914 -0.076 0.000 2.515 459 V HA -0.061 4.059 4.120 -0.000 0.000 0.250 459 V C 1.737 177.728 176.094 -0.171 0.000 1.058 459 V CA 1.415 63.657 62.300 -0.097 0.000 1.064 459 V CB -0.750 31.027 31.823 -0.077 0.000 0.675 459 V HN 0.231 nan 8.190 nan 0.000 0.461 460 L N 1.050 122.124 121.223 -0.250 0.000 2.418 460 L HA 0.372 4.712 4.340 -0.000 0.000 0.218 460 L C 1.911 178.669 176.870 -0.187 0.000 1.125 460 L CA 0.832 55.498 54.840 -0.289 0.000 0.835 460 L CB -0.846 40.951 42.059 -0.438 0.000 0.953 460 L HN 0.647 nan 8.230 nan 0.000 0.454 461 G N 1.059 109.766 108.800 -0.154 0.000 2.182 461 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.248 461 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.248 461 G C 0.243 175.074 174.900 -0.115 0.000 1.042 461 G CA 0.414 45.447 45.100 -0.111 0.000 0.775 461 G HN 0.500 nan 8.290 nan 0.000 0.501 462 S N -1.531 114.077 115.700 -0.152 0.000 2.811 462 S HA 0.878 5.348 4.470 -0.000 0.000 0.311 462 S C 0.180 174.690 174.600 -0.150 0.000 1.152 462 S CA 0.249 58.361 58.200 -0.147 0.000 0.864 462 S CB 1.615 64.705 63.200 -0.182 0.000 1.226 462 S HN 1.420 nan 8.310 nan 0.000 0.541 463 T N -0.627 113.844 114.554 -0.139 0.000 2.868 463 T HA 0.372 4.722 4.350 -0.000 0.000 0.292 463 T C 1.711 176.302 174.700 -0.182 0.000 1.028 463 T CA -0.229 61.797 62.100 -0.124 0.000 1.059 463 T CB 0.712 69.528 68.868 -0.088 0.000 0.991 463 T HN 1.413 nan 8.240 nan 0.000 0.531 464 V N -0.614 119.213 119.914 -0.145 0.000 2.490 464 V HA -0.115 4.005 4.120 -0.000 0.000 0.250 464 V C 1.832 177.779 176.094 -0.245 0.000 1.061 464 V CA 1.809 64.005 62.300 -0.173 0.000 1.064 464 V CB -1.098 30.684 31.823 -0.068 0.000 0.670 464 V HN 0.946 nan 8.190 nan 0.000 0.461 465 D N -0.159 120.162 120.400 -0.131 0.000 2.349 465 D HA -0.052 4.588 4.640 -0.000 0.000 0.215 465 D C 1.101 177.357 176.300 -0.074 0.000 1.016 465 D CA 0.187 54.175 54.000 -0.020 0.000 0.870 465 D CB -0.959 39.878 40.800 0.063 0.000 0.917 465 D HN 0.521 nan 8.370 nan 0.000 0.524 466 N N 0.707 119.284 118.700 -0.206 0.000 2.671 466 N HA -0.060 4.680 4.740 -0.000 0.000 0.274 466 N C -0.495 174.870 175.510 -0.243 0.000 1.188 466 N CA -0.164 52.795 53.050 -0.151 0.000 1.065 466 N CB -0.445 37.957 38.487 -0.141 0.000 1.415 466 N HN 0.151 nan 8.380 nan 0.000 0.511 467 Y N 0.505 120.794 120.300 -0.018 0.000 2.578 467 Y HA -0.009 4.541 4.550 -0.000 0.000 0.297 467 Y C 2.249 178.164 175.900 0.024 0.000 1.176 467 Y CA 0.398 58.500 58.100 0.005 0.000 1.315 467 Y CB 0.245 38.726 38.460 0.036 0.000 1.031 467 Y HN 0.527 nan 8.280 nan 0.000 0.524 468 Q N -0.605 119.256 119.800 0.101 0.000 2.137 468 Q HA -0.148 4.192 4.340 -0.000 0.000 0.198 468 Q C 2.330 178.365 176.000 0.058 0.000 0.960 468 Q CA 1.611 57.466 55.803 0.086 0.000 0.847 468 Q CB -0.003 28.770 28.738 0.059 0.000 0.915 468 Q HN 0.307 nan 8.270 nan 0.000 0.448 469 T N -0.281 114.269 114.554 -0.008 0.000 2.985 469 T HA -0.009 4.341 4.350 -0.000 0.000 0.266 469 T C 1.452 176.130 174.700 -0.038 0.000 1.076 469 T CA 0.994 63.077 62.100 -0.027 0.000 1.135 469 T CB 0.097 68.911 68.868 -0.090 0.000 0.890 469 T HN 0.206 nan 8.240 nan 0.000 0.480 470 K N 0.433 120.765 120.400 -0.115 0.000 2.155 470 K HA 0.075 4.394 4.320 -0.000 0.000 0.203 470 K C 2.593 179.326 176.600 0.222 0.000 1.052 470 K CA 1.207 57.404 56.287 -0.150 0.000 0.948 470 K CB -0.017 32.281 32.500 -0.337 0.000 0.728 470 K HN 0.174 nan 8.250 nan 0.000 0.448 471 S N 0.719 116.552 115.700 0.222 0.000 2.406 471 S HA -0.079 4.391 4.470 -0.000 0.000 0.228 471 S C 1.829 176.600 174.600 0.285 0.000 1.020 471 S CA 0.787 59.151 58.200 0.273 0.000 0.965 471 S CB -0.037 63.298 63.200 0.225 0.000 0.798 471 S HN 0.279 nan 8.310 nan 0.000 0.488 472 R N 0.108 120.749 120.500 0.235 0.000 2.092 472 R HA -0.083 4.257 4.340 -0.000 0.000 0.231 472 R C 2.063 178.515 176.300 0.254 0.000 1.119 472 R CA 1.287 57.531 56.100 0.241 0.000 0.970 472 R CB -0.325 30.073 30.300 0.163 0.000 0.864 472 R HN 0.449 nan 8.270 nan 0.000 0.440 473 F N 1.344 121.367 119.950 0.121 0.000 2.098 473 F HA -0.148 4.379 4.527 -0.000 0.000 0.294 473 F C 2.402 178.311 175.800 0.182 0.000 1.107 473 F CA 2.081 60.152 58.000 0.117 0.000 1.234 473 F CB -0.864 38.198 39.000 0.103 0.000 1.002 473 F HN 0.101 nan 8.300 nan 0.000 0.472 474 T N -1.673 113.018 114.554 0.228 0.000 2.720 474 T HA -0.346 4.004 4.350 -0.000 0.000 0.268 474 T C 2.075 176.857 174.700 0.138 0.000 1.037 474 T CA 1.860 64.036 62.100 0.125 0.000 1.144 474 T CB -1.680 67.387 68.868 0.331 0.000 0.864 474 T HN 0.620 nan 8.240 nan 0.000 0.444 475 Y N 1.514 121.859 120.300 0.074 0.000 2.274 475 Y HA -0.067 4.483 4.550 -0.000 0.000 0.290 475 Y C 2.830 178.734 175.900 0.006 0.000 1.145 475 Y CA 0.705 58.851 58.100 0.076 0.000 1.203 475 Y CB -0.032 38.478 38.460 0.084 0.000 0.984 475 Y HN 0.075 nan 8.280 nan 0.000 0.533 476 R N 0.299 120.704 120.500 -0.158 0.000 2.070 476 R HA -0.165 4.175 4.340 -0.000 0.000 0.233 476 R C 2.457 178.537 176.300 -0.366 0.000 1.137 476 R CA 1.985 57.895 56.100 -0.316 0.000 0.945 476 R CB -1.066 29.088 30.300 -0.243 0.000 0.845 476 R HN 0.450 nan 8.270 nan 0.000 0.430 477 V N -1.023 118.639 119.914 -0.420 0.000 2.515 477 V HA -0.189 3.931 4.120 -0.000 0.000 0.250 477 V C 1.951 177.911 176.094 -0.223 0.000 1.058 477 V CA 1.655 63.676 62.300 -0.465 0.000 1.064 477 V CB -0.910 30.596 31.823 -0.528 0.000 0.675 477 V HN 0.375 nan 8.190 nan 0.000 0.461 478 Y N 1.776 121.985 120.300 -0.153 0.000 2.070 478 Y HA -0.256 4.294 4.550 -0.000 0.000 0.280 478 Y C 2.721 178.507 175.900 -0.190 0.000 1.148 478 Y CA 2.608 60.714 58.100 0.011 0.000 1.125 478 Y CB -0.537 38.020 38.460 0.162 0.000 0.975 478 Y HN 0.309 nan 8.280 nan 0.000 0.492 479 Q N -0.084 119.447 119.800 -0.449 0.000 2.061 479 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 479 Q C 2.529 178.229 176.000 -0.501 0.000 0.984 479 Q CA 1.736 56.980 55.803 -0.933 0.000 0.846 479 Q CB -0.501 27.608 28.738 -1.049 0.000 0.902 479 Q HN 0.642 nan 8.270 nan 0.000 0.421 480 A N 0.260 122.851 122.820 -0.381 0.000 1.902 480 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 480 A C 1.854 179.340 177.584 -0.162 0.000 1.181 480 A CA 1.197 53.061 52.037 -0.288 0.000 0.623 480 A CB -0.863 17.916 19.000 -0.367 0.000 0.818 480 A HN 0.369 nan 8.150 nan 0.000 0.443 481 F N -0.932 118.941 119.950 -0.128 0.000 2.113 481 F HA -0.132 4.395 4.527 -0.000 0.000 0.297 481 F C 2.009 177.766 175.800 -0.072 0.000 1.103 481 F CA 0.640 58.620 58.000 -0.032 0.000 1.248 481 F CB -0.126 38.901 39.000 0.044 0.000 0.999 481 F HN 0.132 nan 8.300 nan 0.000 0.475 482 L N -0.094 121.134 121.223 0.008 0.000 2.275 482 L HA -0.113 4.227 4.340 -0.000 0.000 0.215 482 L C 1.950 178.836 176.870 0.026 0.000 1.119 482 L CA 1.518 56.324 54.840 -0.057 0.000 0.790 482 L CB -0.633 41.333 42.059 -0.155 0.000 0.919 482 L HN -0.021 nan 8.230 nan 0.000 0.443 483 R N -0.953 119.564 120.500 0.028 0.000 2.317 483 R HA 0.198 4.538 4.340 -0.000 0.000 0.208 483 R C 1.231 177.549 176.300 0.030 0.000 0.914 483 R CA 0.622 56.753 56.100 0.052 0.000 1.060 483 R CB 0.075 30.405 30.300 0.050 0.000 1.015 483 R HN 0.388 nan 8.270 nan 0.000 0.498 484 G N 1.623 110.455 108.800 0.053 0.000 2.148 484 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.254 484 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.254 484 G C 0.777 175.695 174.900 0.030 0.000 0.981 484 G CA 0.217 45.353 45.100 0.060 0.000 0.670 484 G HN 0.332 nan 8.290 nan 0.000 0.528 485 R N -0.956 119.545 120.500 0.002 0.000 2.317 485 R HA 0.398 4.738 4.340 -0.000 0.000 0.208 485 R C 0.721 176.994 176.300 -0.046 0.000 0.914 485 R CA 0.209 56.291 56.100 -0.031 0.000 1.060 485 R CB 0.496 30.762 30.300 -0.057 0.000 1.015 485 R HN 0.439 nan 8.270 nan 0.000 0.498 486 L N 0.479 121.693 121.223 -0.016 0.000 2.410 486 L HA 0.307 4.647 4.340 -0.000 0.000 0.270 486 L C -0.884 176.094 176.870 0.180 0.000 0.983 486 L CA -0.537 54.281 54.840 -0.037 0.000 0.822 486 L CB 2.470 44.313 42.059 -0.360 0.000 1.285 486 L HN -0.115 nan 8.230 nan 0.000 0.409 487 S N 3.574 119.346 115.700 0.120 0.000 2.451 487 S HA 0.287 4.757 4.470 -0.000 0.000 0.301 487 S C 0.983 175.611 174.600 0.047 0.000 1.116 487 S CA -0.682 57.557 58.200 0.066 0.000 1.093 487 S CB 1.095 64.284 63.200 -0.019 0.000 1.017 487 S HN 0.655 nan 8.310 nan 0.000 0.482 488 I N 4.723 125.112 120.570 -0.301 0.000 2.567 488 I HA -0.078 4.092 4.170 -0.000 0.000 0.257 488 I C 1.555 177.524 176.117 -0.246 0.000 1.184 488 I CA 1.600 62.569 61.300 -0.551 0.000 1.451 488 I CB -0.930 36.090 38.000 -1.634 0.000 1.089 488 I HN 0.667 nan 8.210 nan 0.000 0.441 489 T N -0.395 114.050 114.554 -0.182 0.000 3.035 489 T HA -0.066 4.284 4.350 -0.000 0.000 0.259 489 T C 0.403 175.080 174.700 -0.037 0.000 1.078 489 T CA 0.509 62.555 62.100 -0.090 0.000 1.132 489 T CB -0.010 68.806 68.868 -0.086 0.000 0.900 489 T HN 0.255 nan 8.240 nan 0.000 0.480 490 D N 1.441 121.826 120.400 -0.026 0.000 2.404 490 D HA 0.340 4.979 4.640 -0.000 0.000 0.267 490 D C -1.250 175.055 176.300 0.009 0.000 1.194 490 D CA -0.302 53.694 54.000 -0.006 0.000 0.910 490 D CB 0.649 41.440 40.800 -0.015 0.000 1.090 490 D HN -0.107 nan 8.370 nan 0.000 0.511 491 V N 3.904 123.832 119.914 0.024 0.000 2.250 491 V HA 0.303 4.423 4.120 -0.000 0.000 0.268 491 V C 0.789 176.897 176.094 0.023 0.000 1.043 491 V CA -0.752 61.564 62.300 0.027 0.000 0.814 491 V CB 0.620 32.482 31.823 0.065 0.000 1.072 491 V HN 0.648 nan 8.190 nan 0.000 0.451 492 T N 2.427 116.987 114.554 0.009 0.000 2.900 492 T HA 0.203 4.552 4.350 -0.000 0.000 0.307 492 T C -0.841 173.870 174.700 0.018 0.000 1.065 492 T CA -1.107 61.001 62.100 0.012 0.000 1.105 492 T CB 1.204 70.074 68.868 0.003 0.000 0.979 492 T HN 0.437 nan 8.240 nan 0.000 0.544 493 P HA -0.123 nan 4.420 nan 0.000 0.220 493 P C 1.690 179.004 177.300 0.023 0.000 1.148 493 P CA 1.169 64.286 63.100 0.028 0.000 0.803 493 P CB -0.083 31.632 31.700 0.024 0.000 0.782 494 S N -0.038 115.670 115.700 0.013 0.000 2.368 494 S HA -0.175 4.295 4.470 -0.000 0.000 0.224 494 S C 2.214 176.817 174.600 0.006 0.000 1.029 494 S CA 0.738 58.943 58.200 0.008 0.000 0.988 494 S CB -1.235 61.966 63.200 0.001 0.000 0.838 494 S HN 0.174 nan 8.310 nan 0.000 0.462 495 Q N 0.289 120.089 119.800 -0.002 0.000 2.124 495 Q HA 0.041 4.381 4.340 -0.000 0.000 0.202 495 Q C 2.239 178.239 176.000 -0.001 0.000 0.977 495 Q CA 1.062 56.854 55.803 -0.018 0.000 0.850 495 Q CB -0.291 28.423 28.738 -0.040 0.000 0.901 495 Q HN 0.382 nan 8.270 nan 0.000 0.429 496 L N 1.401 122.644 121.223 0.034 0.000 1.994 496 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 496 L C 2.335 179.283 176.870 0.130 0.000 1.071 496 L CA 1.760 56.664 54.840 0.107 0.000 0.745 496 L CB -0.821 41.314 42.059 0.126 0.000 0.892 496 L HN 0.229 nan 8.230 nan 0.000 0.431 497 K N 0.185 120.627 120.400 0.071 0.000 2.113 497 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 497 K C 1.568 178.198 176.600 0.050 0.000 1.047 497 K CA 1.705 58.023 56.287 0.050 0.000 0.928 497 K CB -0.251 32.263 32.500 0.023 0.000 0.716 497 K HN 0.404 nan 8.250 nan 0.000 0.446 498 D N 0.889 121.310 120.400 0.035 0.000 2.117 498 D HA -0.144 4.495 4.640 -0.000 0.000 0.197 498 D C 2.099 178.418 176.300 0.032 0.000 0.987 498 D CA 1.016 55.027 54.000 0.018 0.000 0.829 498 D CB -0.093 40.703 40.800 -0.007 0.000 0.961 498 D HN 0.258 nan 8.370 nan 0.000 0.460 499 L N 0.535 121.792 121.223 0.056 0.000 2.201 499 L HA -0.085 4.255 4.340 -0.000 0.000 0.212 499 L C 2.489 179.484 176.870 0.208 0.000 1.105 499 L CA 0.443 55.327 54.840 0.073 0.000 0.775 499 L CB -0.237 41.830 42.059 0.013 0.000 0.913 499 L HN 0.002 nan 8.230 nan 0.000 0.440 500 I N -0.800 119.910 120.570 0.232 0.000 2.163 500 I HA -0.173 3.997 4.170 -0.000 0.000 0.240 500 I C 1.288 177.454 176.117 0.081 0.000 1.081 500 I CA 1.322 62.725 61.300 0.172 0.000 1.353 500 I CB -0.083 37.940 38.000 0.038 0.000 1.054 500 I HN 0.181 nan 8.210 nan 0.000 0.407 501 K N 0.000 120.428 120.400 0.047 0.000 2.780 501 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 501 K CA 0.000 56.301 56.287 0.023 0.000 0.838 501 K CB 0.000 32.504 32.500 0.006 0.000 1.064 501 K HN 0.000 nan 8.250 nan 0.000 0.543