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 3fcu_1_E DATA FIRST_RESID 1 DATA SEQUENCE LNLDPVQLTF YAGPNGSQFG FSLDFHKDSH GRVAIVVGAP RTLGPSQEET DATA SEQUENCE GGVFLcPWRA EGGQcPSLLF DLRDETRNVG SQTLQTFKAR QGLGASVVSW DATA SEQUENCE SDVIVAcAPW QHWNVLEKTE EAEKTPVGSc FLAQPESGRR AEYSPcRGNT DATA SEQUENCE LSRIYVENDF SWDKRYcEAG FSSVVTQAGE LVLGAPGGYY FLGLLAQAPV DATA SEQUENCE ADIFSSYRPG ILLWHVSSQS LSFDSSNPEY FDGYWGYSVA VGEFDGDLNT DATA SEQUENCE TEYVVGAPTW SWTLGAVEIL DSYYQRLHRL RGEQMASYFG HSVAVTDVNG DATA SEQUENCE DGRHDLLVGA PLYMESRADR KLAEVGRVYL FLQPRGPHAL GAPSLLLTGT DATA SEQUENCE QLYGRFGSAI APLGDLDRDG YNDIAVAAPY GGPSGRGQVL VFLGQSEGLR DATA SEQUENCE SRPSQVLDSP FPTGSAFGFS LRGAVDIDDN GYPDLIVGAY GANQVAVYRA DATA SEQUENCE QP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.869 176.870 -0.001 0.000 1.165 1 L CA 0.000 54.840 54.840 0.001 0.000 0.813 1 L CB 0.000 42.063 42.059 0.007 0.000 0.961 2 N N 2.261 120.962 118.700 0.002 0.000 2.205 2 N HA 0.255 4.995 4.740 0.000 0.000 0.201 2 N C -0.363 175.150 175.510 0.005 0.000 1.128 2 N CA -0.039 53.007 53.050 -0.006 0.000 0.867 2 N CB 0.679 39.174 38.487 0.013 0.000 0.996 2 N HN 0.440 nan 8.380 nan 0.000 0.503 3 L N 0.750 121.990 121.223 0.029 0.000 2.325 3 L HA 0.297 4.637 4.340 0.000 0.000 0.281 3 L C -0.435 176.495 176.870 0.100 0.000 1.004 3 L CA -0.876 54.006 54.840 0.070 0.000 0.823 3 L CB 1.697 43.803 42.059 0.078 0.000 1.236 3 L HN -0.005 nan 8.230 nan 0.000 0.415 4 D N 6.076 126.536 120.400 0.101 0.000 2.346 4 D HA 0.085 4.725 4.640 0.000 0.000 0.260 4 D C -1.693 174.698 176.300 0.151 0.000 1.252 4 D CA -1.281 52.770 54.000 0.085 0.000 0.895 4 D CB 1.528 42.353 40.800 0.042 0.000 1.097 4 D HN 0.261 nan 8.370 nan 0.000 0.489 5 P HA 0.020 nan 4.420 nan 0.000 0.261 5 P C 1.074 178.421 177.300 0.078 0.000 1.268 5 P CA -0.002 63.213 63.100 0.192 0.000 0.833 5 P CB 0.744 32.540 31.700 0.160 0.000 1.231 6 V N 0.682 120.618 119.914 0.036 0.000 2.403 6 V HA -0.042 4.078 4.120 0.000 0.000 0.239 6 V C 1.398 177.487 176.094 -0.008 0.000 1.041 6 V CA 1.130 63.438 62.300 0.014 0.000 1.051 6 V CB -1.213 30.617 31.823 0.012 0.000 0.704 6 V HN 0.176 nan 8.190 nan 0.000 0.472 7 Q N 1.811 121.600 119.800 -0.018 0.000 2.503 7 Q HA 0.570 4.910 4.340 0.000 0.000 0.227 7 Q C -0.988 174.954 176.000 -0.097 0.000 1.109 7 Q CA -0.031 55.753 55.803 -0.032 0.000 0.922 7 Q CB 0.396 29.129 28.738 -0.008 0.000 1.249 7 Q HN 0.467 nan 8.270 nan 0.000 0.530 8 L N 1.446 122.553 121.223 -0.194 0.000 2.352 8 L HA 0.576 4.916 4.340 0.000 0.000 0.269 8 L C 0.109 176.725 176.870 -0.423 0.000 1.034 8 L CA -0.982 53.585 54.840 -0.455 0.000 0.806 8 L CB 1.804 43.356 42.059 -0.845 0.000 1.244 8 L HN 0.450 nan 8.230 nan 0.000 0.447 9 T N 0.906 115.201 114.554 -0.433 0.000 2.824 9 T HA 0.575 4.925 4.350 0.000 0.000 0.280 9 T C -0.753 173.631 174.700 -0.527 0.000 0.995 9 T CA -0.184 61.714 62.100 -0.336 0.000 1.009 9 T CB 0.674 69.493 68.868 -0.083 0.000 0.955 9 T HN 0.133 nan 8.240 nan 0.000 0.452 10 F N 2.307 122.158 119.950 -0.164 0.000 2.449 10 F HA 0.524 5.051 4.527 0.000 0.000 0.342 10 F C -0.412 175.280 175.800 -0.180 0.000 1.127 10 F CA -1.014 56.966 58.000 -0.033 0.000 0.975 10 F CB 1.168 40.194 39.000 0.042 0.000 1.146 10 F HN 0.499 nan 8.300 nan 0.000 0.444 11 Y N 1.674 122.175 120.300 0.335 0.000 2.457 11 Y HA 0.778 5.328 4.550 0.000 0.000 0.333 11 Y C 0.038 176.001 175.900 0.104 0.000 1.119 11 Y CA -1.133 57.099 58.100 0.221 0.000 1.143 11 Y CB 1.921 40.574 38.460 0.320 0.000 1.230 11 Y HN 0.618 nan 8.280 nan 0.000 0.469 12 A N 0.791 123.535 122.820 -0.127 0.000 2.486 12 A HA 0.794 5.114 4.320 0.000 0.000 0.300 12 A C -0.419 176.477 177.584 -1.146 0.000 1.048 12 A CA -0.153 51.578 52.037 -0.509 0.000 0.696 12 A CB 1.033 19.910 19.000 -0.206 0.000 1.278 12 A HN 0.888 nan 8.150 nan 0.000 0.405 13 G N 0.513 108.425 108.800 -1.480 0.000 2.887 13 G HA2 0.751 4.711 3.960 0.000 0.000 0.277 13 G HA3 0.751 4.711 3.960 0.000 0.000 0.277 13 G C -2.992 171.639 174.900 -0.447 0.000 1.346 13 G CA -1.806 42.588 45.100 -1.176 0.000 1.058 13 G HN 0.516 nan 8.290 nan 0.000 0.535 14 P HA 0.095 nan 4.420 nan 0.000 0.272 14 P C -0.139 177.147 177.300 -0.023 0.000 1.223 14 P CA -0.538 62.520 63.100 -0.070 0.000 0.784 14 P CB 0.458 32.178 31.700 0.034 0.000 0.923 15 N N 1.416 120.110 118.700 -0.011 0.000 2.357 15 N HA 0.037 4.777 4.740 0.000 0.000 0.257 15 N C 1.490 177.023 175.510 0.038 0.000 1.250 15 N CA 1.917 54.973 53.050 0.010 0.000 0.862 15 N CB -0.024 38.466 38.487 0.006 0.000 1.066 15 N HN 0.758 nan 8.380 nan 0.000 0.468 16 G N 1.179 110.011 108.800 0.053 0.000 2.168 16 G HA2 -0.343 3.617 3.960 0.000 0.000 0.263 16 G HA3 -0.343 3.617 3.960 0.000 0.000 0.263 16 G C 0.950 175.905 174.900 0.091 0.000 0.977 16 G CA 0.895 46.036 45.100 0.068 0.000 0.659 16 G HN 0.698 nan 8.290 nan 0.000 0.533 17 S N -0.635 115.133 115.700 0.115 0.000 2.496 17 S HA 0.173 4.643 4.470 0.000 0.000 0.224 17 S C 1.252 175.960 174.600 0.181 0.000 0.996 17 S CA 1.201 59.493 58.200 0.154 0.000 0.927 17 S CB -0.175 63.143 63.200 0.196 0.000 0.774 17 S HN 1.100 nan 8.310 nan 0.000 0.524 18 Q N -0.164 119.762 119.800 0.211 0.000 2.481 18 Q HA -0.202 4.138 4.340 0.000 0.000 0.272 18 Q C -0.474 175.715 176.000 0.316 0.000 1.157 18 Q CA 0.500 56.481 55.803 0.296 0.000 0.935 18 Q CB -2.480 26.381 28.738 0.203 0.000 1.338 18 Q HN 0.744 nan 8.270 nan 0.000 0.494 19 F N 0.838 120.862 119.950 0.123 0.000 2.569 19 F HA 0.215 4.742 4.527 0.000 0.000 0.395 19 F C 1.430 177.302 175.800 0.120 0.000 1.028 19 F CA 2.036 60.083 58.000 0.078 0.000 1.158 19 F CB 0.301 39.254 39.000 -0.080 0.000 1.023 19 F HN 0.319 nan 8.300 nan 0.000 0.547 20 G N 4.913 113.552 108.800 -0.268 0.000 2.163 20 G HA2 -0.357 3.603 3.960 0.000 0.000 0.213 20 G HA3 -0.357 3.603 3.960 0.000 0.000 0.213 20 G C 0.629 175.599 174.900 0.116 0.000 0.991 20 G CA 0.084 45.101 45.100 -0.139 0.000 0.653 20 G HN 0.743 nan 8.290 nan 0.000 0.518 21 F N 2.569 122.547 119.950 0.047 0.000 2.171 21 F HA 0.209 4.736 4.527 0.000 0.000 0.300 21 F C 1.592 177.446 175.800 0.090 0.000 1.090 21 F CA 2.232 60.280 58.000 0.079 0.000 1.293 21 F CB 0.161 39.109 39.000 -0.088 0.000 1.013 21 F HN 0.526 nan 8.300 nan 0.000 0.486 22 S N -0.297 115.524 115.700 0.201 0.000 2.627 22 S HA 0.764 5.234 4.470 0.000 0.000 0.283 22 S C -1.177 173.395 174.600 -0.047 0.000 1.127 22 S CA -0.527 57.707 58.200 0.056 0.000 0.863 22 S CB 2.512 65.763 63.200 0.085 0.000 1.121 22 S HN 0.267 nan 8.310 nan 0.000 0.479 23 L N -1.638 119.535 121.223 -0.084 0.000 2.710 23 L HA 0.973 5.313 4.340 0.000 0.000 0.260 23 L C -1.619 175.164 176.870 -0.145 0.000 0.993 23 L CA -0.549 54.207 54.840 -0.139 0.000 0.877 23 L CB 1.122 43.066 42.059 -0.192 0.000 1.461 23 L HN 0.808 nan 8.230 nan 0.000 0.413 24 D N -0.410 119.884 120.400 -0.176 0.000 2.648 24 D HA 0.573 5.213 4.640 0.000 0.000 0.244 24 D C -1.596 174.597 176.300 -0.178 0.000 1.244 24 D CA -0.269 53.645 54.000 -0.143 0.000 0.772 24 D CB 1.623 42.428 40.800 0.008 0.000 1.379 24 D HN 0.391 nan 8.370 nan 0.000 0.428 25 F N 1.349 121.333 119.950 0.057 0.000 2.418 25 F HA 0.386 4.913 4.527 0.000 0.000 0.341 25 F C 0.560 176.432 175.800 0.120 0.000 1.120 25 F CA 0.008 58.047 58.000 0.066 0.000 1.232 25 F CB 0.797 39.812 39.000 0.025 0.000 1.175 25 F HN 0.261 nan 8.300 nan 0.000 0.569 26 H N 1.615 120.805 119.070 0.199 0.000 2.782 26 H HA 0.390 4.946 4.556 0.000 0.000 0.347 26 H C -1.303 174.078 175.328 0.087 0.000 1.038 26 H CA -0.965 55.151 56.048 0.113 0.000 1.255 26 H CB 1.109 30.920 29.762 0.082 0.000 1.623 26 H HN 0.507 nan 8.280 nan 0.000 0.525 27 K N 4.205 124.331 120.400 -0.457 0.000 2.267 27 K HA 0.155 4.475 4.320 0.000 0.000 0.282 27 K C -0.467 175.811 176.600 -0.537 0.000 1.078 27 K CA -0.743 55.330 56.287 -0.357 0.000 0.903 27 K CB 0.465 32.820 32.500 -0.241 0.000 1.111 27 K HN 0.714 nan 8.250 nan 0.000 0.475 28 D N 0.944 121.193 120.400 -0.251 0.000 2.414 28 D HA 0.035 4.675 4.640 0.000 0.000 0.251 28 D C 0.426 176.626 176.300 -0.167 0.000 1.252 28 D CA -0.385 53.541 54.000 -0.123 0.000 0.999 28 D CB 0.659 41.505 40.800 0.077 0.000 1.093 28 D HN 0.182 nan 8.370 nan 0.000 0.515 29 S N -1.360 114.193 115.700 -0.245 0.000 2.423 29 S HA -0.127 4.343 4.470 0.000 0.000 0.231 29 S C 1.120 175.516 174.600 -0.341 0.000 1.014 29 S CA 0.623 58.611 58.200 -0.353 0.000 0.965 29 S CB -0.481 62.427 63.200 -0.487 0.000 0.785 29 S HN 0.494 nan 8.310 nan 0.000 0.495 30 H N 0.334 119.400 119.070 -0.007 0.000 2.567 30 H HA 0.339 4.895 4.556 0.000 0.000 0.294 30 H C 1.753 177.082 175.328 0.002 0.000 1.050 30 H CA 0.530 56.579 56.048 0.002 0.000 1.168 30 H CB -0.263 29.509 29.762 0.017 0.000 1.422 30 H HN 0.520 nan 8.280 nan 0.000 0.562 31 G N 1.436 110.257 108.800 0.035 0.000 2.336 31 G HA2 -0.303 3.658 3.960 0.000 0.000 0.233 31 G HA3 -0.303 3.658 3.960 0.000 0.000 0.233 31 G C 0.612 175.529 174.900 0.028 0.000 1.053 31 G CA -0.203 44.907 45.100 0.018 0.000 0.625 31 G HN 0.383 nan 8.290 nan 0.000 0.511 32 R N 0.479 121.027 120.500 0.080 0.000 2.590 32 R HA 0.452 4.792 4.340 0.000 0.000 0.274 32 R C 0.199 176.551 176.300 0.088 0.000 1.061 32 R CA -0.089 56.076 56.100 0.109 0.000 1.081 32 R CB 1.181 31.577 30.300 0.160 0.000 0.984 32 R HN 0.128 nan 8.270 nan 0.000 0.448 33 V N 2.458 122.432 119.914 0.100 0.000 2.509 33 V HA 0.484 4.604 4.120 0.000 0.000 0.284 33 V C 0.365 176.589 176.094 0.216 0.000 1.047 33 V CA -0.235 62.134 62.300 0.114 0.000 0.952 33 V CB 1.300 33.158 31.823 0.060 0.000 0.988 33 V HN 0.946 nan 8.190 nan 0.000 0.469 34 A N 5.333 128.296 122.820 0.239 0.000 2.387 34 A HA 0.898 5.218 4.320 0.000 0.000 0.303 34 A C -0.818 176.888 177.584 0.203 0.000 1.145 34 A CA -0.760 51.421 52.037 0.240 0.000 0.801 34 A CB 1.264 20.401 19.000 0.229 0.000 1.342 34 A HN 0.709 nan 8.150 nan 0.000 0.440 35 I N 1.280 121.896 120.570 0.076 0.000 2.354 35 I HA 0.281 4.451 4.170 0.000 0.000 0.286 35 I C -0.227 175.858 176.117 -0.054 0.000 1.007 35 I CA -0.697 60.569 61.300 -0.056 0.000 1.167 35 I CB 1.503 39.399 38.000 -0.173 0.000 1.320 35 I HN 0.367 nan 8.210 nan 0.000 0.458 36 V N 8.661 128.555 119.914 -0.032 0.000 2.508 36 V HA 0.324 4.444 4.120 0.000 0.000 0.281 36 V C -0.183 175.863 176.094 -0.079 0.000 1.041 36 V CA 0.157 62.440 62.300 -0.028 0.000 1.016 36 V CB 1.408 33.221 31.823 -0.017 0.000 0.984 36 V HN 0.453 nan 8.190 nan 0.000 0.478 37 V N 6.332 126.209 119.914 -0.062 0.000 2.588 37 V HA 0.657 4.777 4.120 0.000 0.000 0.304 37 V C 0.597 176.651 176.094 -0.067 0.000 1.042 37 V CA -0.184 61.997 62.300 -0.198 0.000 0.877 37 V CB 1.639 33.114 31.823 -0.580 0.000 0.996 37 V HN 1.004 nan 8.190 nan 0.000 0.425 38 G N 2.640 111.399 108.800 -0.069 0.000 2.356 38 G HA2 0.600 4.560 3.960 0.000 0.000 0.298 38 G HA3 0.600 4.560 3.960 0.000 0.000 0.298 38 G C -0.146 174.794 174.900 0.066 0.000 1.145 38 G CA -0.047 45.066 45.100 0.023 0.000 0.850 38 G HN 1.194 nan 8.290 nan 0.000 0.487 39 A N 4.525 127.444 122.820 0.166 0.000 3.030 39 A HA 0.647 4.967 4.320 0.000 0.000 0.335 39 A C -1.603 176.054 177.584 0.121 0.000 1.089 39 A CA -1.214 50.961 52.037 0.229 0.000 0.807 39 A CB 1.474 20.778 19.000 0.506 0.000 1.099 39 A HN 0.451 nan 8.150 nan 0.000 0.474 40 P HA -0.029 nan 4.420 nan 0.000 0.242 40 P C 0.518 177.805 177.300 -0.021 0.000 1.197 40 P CA 0.679 63.731 63.100 -0.080 0.000 0.765 40 P CB 0.160 31.688 31.700 -0.287 0.000 0.936 41 R N -0.987 119.524 120.500 0.018 0.000 2.629 41 R HA 0.201 4.541 4.340 0.000 0.000 0.386 41 R C 0.045 176.387 176.300 0.070 0.000 1.071 41 R CA -0.070 56.049 56.100 0.032 0.000 1.104 41 R CB 0.283 30.592 30.300 0.015 0.000 1.370 41 R HN 0.031 nan 8.270 nan 0.000 0.574 42 T N 2.316 116.933 114.554 0.104 0.000 2.928 42 T HA 0.107 4.457 4.350 0.000 0.000 0.305 42 T C 0.716 175.465 174.700 0.082 0.000 1.035 42 T CA 0.188 62.367 62.100 0.131 0.000 1.145 42 T CB 0.789 69.771 68.868 0.191 0.000 0.963 42 T HN 0.102 nan 8.240 nan 0.000 0.545 43 L N 2.670 123.939 121.223 0.077 0.000 2.456 43 L HA 0.422 4.762 4.340 0.000 0.000 0.272 43 L C 1.260 178.157 176.870 0.045 0.000 1.189 43 L CA -0.134 54.739 54.840 0.054 0.000 0.846 43 L CB 0.117 42.206 42.059 0.050 0.000 1.111 43 L HN 0.837 nan 8.230 nan 0.000 0.475 44 G N 2.650 111.471 108.800 0.036 0.000 3.234 44 G HA2 0.523 4.483 3.960 0.000 0.000 0.159 44 G HA3 0.523 4.483 3.960 0.000 0.000 0.159 44 G C -2.728 172.189 174.900 0.028 0.000 1.175 44 G CA -0.722 44.394 45.100 0.027 0.000 0.900 44 G HN 0.386 nan 8.290 nan 0.000 0.621 45 P HA 0.243 nan 4.420 nan 0.000 0.266 45 P C -0.065 177.254 177.300 0.032 0.000 1.195 45 P CA 0.622 63.740 63.100 0.030 0.000 0.768 45 P CB 1.067 32.788 31.700 0.035 0.000 0.838 46 S N 1.122 116.839 115.700 0.028 0.000 3.635 46 S HA -0.193 4.277 4.470 0.000 0.000 0.328 46 S C 0.392 175.007 174.600 0.025 0.000 1.135 46 S CA 0.715 58.930 58.200 0.026 0.000 0.942 46 S CB -1.950 61.268 63.200 0.030 0.000 0.930 46 S HN 0.679 nan 8.310 nan 0.000 0.512 47 Q N -1.551 118.265 119.800 0.026 0.000 2.435 47 Q HA -0.232 4.108 4.340 0.000 0.000 0.286 47 Q C -0.008 176.008 176.000 0.026 0.000 1.229 47 Q CA 1.912 57.730 55.803 0.026 0.000 0.884 47 Q CB -1.413 27.338 28.738 0.022 0.000 1.245 47 Q HN 1.012 nan 8.270 nan 0.000 0.488 48 E N 0.172 120.390 120.200 0.030 0.000 2.191 48 E HA 0.295 4.645 4.350 0.000 0.000 0.274 48 E C -0.708 175.913 176.600 0.035 0.000 0.948 48 E CA -0.520 55.898 56.400 0.030 0.000 0.802 48 E CB 0.955 30.676 29.700 0.035 0.000 1.137 48 E HN 0.099 nan 8.360 nan 0.000 0.397 49 E N 2.113 122.332 120.200 0.032 0.000 2.406 49 E HA -0.004 4.346 4.350 0.000 0.000 0.258 49 E C 0.260 176.889 176.600 0.047 0.000 1.043 49 E CA 0.537 56.959 56.400 0.035 0.000 0.929 49 E CB 0.661 30.374 29.700 0.022 0.000 0.969 49 E HN 0.651 nan 8.360 nan 0.000 0.462 50 T N 0.080 114.661 114.554 0.045 0.000 2.954 50 T HA 0.376 4.726 4.350 0.000 0.000 0.252 50 T C 0.842 175.554 174.700 0.021 0.000 0.983 50 T CA 0.119 62.246 62.100 0.045 0.000 0.941 50 T CB 0.694 69.581 68.868 0.032 0.000 1.141 50 T HN 0.687 nan 8.240 nan 0.000 0.500 51 G N -0.499 108.312 108.800 0.018 0.000 2.663 51 G HA2 0.436 4.396 3.960 0.000 0.000 0.686 51 G HA3 0.436 4.396 3.960 0.000 0.000 0.686 51 G C -0.237 174.649 174.900 -0.024 0.000 1.288 51 G CA -0.462 44.639 45.100 0.002 0.000 0.836 51 G HN 1.482 nan 8.290 nan 0.000 0.584 52 G N -2.050 106.743 108.800 -0.012 0.000 2.576 52 G HA2 0.797 4.757 3.960 0.000 0.000 0.290 52 G HA3 0.797 4.757 3.960 0.000 0.000 0.290 52 G C -1.425 173.446 174.900 -0.048 0.000 1.442 52 G CA 0.366 45.425 45.100 -0.068 0.000 0.792 52 G HN 1.697 nan 8.290 nan 0.000 0.491 53 V N -0.022 119.799 119.914 -0.154 0.000 2.735 53 V HA 0.764 4.884 4.120 0.000 0.000 0.310 53 V C -1.085 174.835 176.094 -0.289 0.000 1.061 53 V CA -0.635 61.633 62.300 -0.053 0.000 0.913 53 V CB 1.621 33.506 31.823 0.103 0.000 1.005 53 V HN 0.612 nan 8.190 nan 0.000 0.428 54 F N 3.436 123.438 119.950 0.087 0.000 2.546 54 F HA 0.702 5.229 4.527 0.000 0.000 0.320 54 F C -0.416 175.416 175.800 0.052 0.000 1.076 54 F CA -0.822 57.248 58.000 0.117 0.000 0.928 54 F CB 2.039 41.215 39.000 0.293 0.000 1.189 54 F HN 0.260 nan 8.300 nan 0.000 0.465 55 L N 3.571 124.921 121.223 0.212 0.000 2.384 55 L HA 0.498 4.838 4.340 0.000 0.000 0.261 55 L C -1.125 175.809 176.870 0.107 0.000 1.024 55 L CA -0.536 54.365 54.840 0.102 0.000 0.899 55 L CB 0.196 42.278 42.059 0.037 0.000 1.243 55 L HN 0.657 nan 8.230 nan 0.000 0.449 56 c N 6.063 124.689 118.600 0.042 0.000 2.482 56 c HA 0.486 5.056 4.570 0.000 0.000 0.378 56 c C -1.875 172.223 174.090 0.013 0.000 1.284 56 c CA -0.985 55.306 56.329 -0.062 0.000 1.826 56 c CB 0.005 42.207 42.510 -0.513 0.000 2.473 56 c HN 0.576 nan 8.230 nan 0.000 0.562 57 P HA 0.033 nan 4.420 nan 0.000 0.276 57 P C -0.409 177.091 177.300 0.333 0.000 1.244 57 P CA -0.515 62.710 63.100 0.208 0.000 0.801 57 P CB 0.689 32.494 31.700 0.174 0.000 1.006 58 W N 4.803 126.214 121.300 0.185 0.000 2.529 58 W HA 0.157 4.817 4.660 0.000 0.000 0.319 58 W C -0.879 175.770 176.519 0.217 0.000 1.362 58 W CA -0.263 57.227 57.345 0.241 0.000 1.348 58 W CB 0.310 29.879 29.460 0.182 0.000 1.403 58 W HN 0.352 nan 8.180 nan 0.000 0.519 59 R N 4.551 124.731 120.500 -0.534 0.000 2.575 59 R HA 0.352 4.692 4.340 0.000 0.000 0.293 59 R C 0.813 176.410 176.300 -1.171 0.000 0.983 59 R CA -0.217 55.432 56.100 -0.752 0.000 0.887 59 R CB 1.912 32.051 30.300 -0.269 0.000 1.184 59 R HN 0.589 nan 8.270 nan 0.000 0.445 60 A N 2.528 124.752 122.820 -0.992 0.000 1.908 60 A HA -0.220 4.100 4.320 0.000 0.000 0.218 60 A C 1.742 179.085 177.584 -0.401 0.000 1.181 60 A CA 1.812 53.465 52.037 -0.639 0.000 0.627 60 A CB -0.264 18.563 19.000 -0.288 0.000 0.818 60 A HN 0.848 nan 8.150 nan 0.000 0.445 61 E N -0.317 119.687 120.200 -0.327 0.000 2.285 61 E HA 0.249 4.599 4.350 0.000 0.000 0.194 61 E C 1.237 177.681 176.600 -0.259 0.000 0.997 61 E CA 0.964 57.235 56.400 -0.216 0.000 0.845 61 E CB -0.922 28.690 29.700 -0.147 0.000 0.782 61 E HN 0.990 nan 8.360 nan 0.000 0.491 62 G N 0.766 109.316 108.800 -0.416 0.000 2.539 62 G HA2 -0.032 3.928 3.960 0.000 0.000 0.256 62 G HA3 -0.032 3.928 3.960 0.000 0.000 0.256 62 G C 0.575 175.304 174.900 -0.284 0.000 1.233 62 G CA 0.720 45.418 45.100 -0.670 0.000 0.936 62 G HN 1.240 nan 8.290 nan 0.000 0.571 63 G N -2.671 106.015 108.800 -0.189 0.000 2.301 63 G HA2 0.418 4.378 3.960 0.000 0.000 0.194 63 G HA3 0.418 4.378 3.960 0.000 0.000 0.194 63 G C -0.467 174.484 174.900 0.084 0.000 1.266 63 G CA 0.556 45.646 45.100 -0.016 0.000 1.210 63 G HN 1.441 nan 8.290 nan 0.000 0.524 64 Q N -0.293 119.537 119.800 0.051 0.000 2.259 64 Q HA 0.576 4.916 4.340 0.000 0.000 0.246 64 Q C -0.159 175.910 176.000 0.117 0.000 0.920 64 Q CA -0.059 55.756 55.803 0.020 0.000 0.895 64 Q CB 1.508 30.242 28.738 -0.007 0.000 1.220 64 Q HN 0.740 nan 8.270 nan 0.000 0.439 65 c N 2.251 120.918 118.600 0.112 0.000 2.493 65 c HA 0.594 5.164 4.570 0.000 0.000 0.326 65 c C -2.039 172.223 174.090 0.287 0.000 1.200 65 c CA -1.406 55.052 56.329 0.215 0.000 1.739 65 c CB 1.041 43.711 42.510 0.267 0.000 2.300 65 c HN 0.664 nan 8.230 nan 0.000 0.500 66 P HA 0.209 nan 4.420 nan 0.000 0.272 66 P C -0.283 177.131 177.300 0.189 0.000 1.223 66 P CA 0.107 63.314 63.100 0.179 0.000 0.784 66 P CB 0.513 32.275 31.700 0.102 0.000 0.923 67 S N 1.095 116.825 115.700 0.050 0.000 2.592 67 S HA 0.355 4.825 4.470 0.000 0.000 0.271 67 S C -0.476 174.016 174.600 -0.180 0.000 1.326 67 S CA -0.502 57.573 58.200 -0.208 0.000 1.024 67 S CB -0.155 62.895 63.200 -0.251 0.000 0.921 67 S HN 0.364 nan 8.310 nan 0.000 0.527 68 L N 5.842 126.911 121.223 -0.257 0.000 2.337 68 L HA 0.510 4.850 4.340 0.000 0.000 0.269 68 L C -0.934 175.680 176.870 -0.426 0.000 1.018 68 L CA -0.156 54.518 54.840 -0.277 0.000 0.876 68 L CB 0.470 42.412 42.059 -0.195 0.000 1.236 68 L HN 0.641 nan 8.230 nan 0.000 0.436 69 L N 4.627 125.597 121.223 -0.422 0.000 2.397 69 L HA 0.369 4.709 4.340 0.000 0.000 0.271 69 L C -0.658 175.845 176.870 -0.611 0.000 1.148 69 L CA 0.168 54.792 54.840 -0.360 0.000 0.825 69 L CB 0.624 42.557 42.059 -0.211 0.000 1.117 69 L HN 0.454 nan 8.230 nan 0.000 0.456 70 F N -0.163 119.686 119.950 -0.169 0.000 2.611 70 F HA 0.257 4.784 4.527 0.000 0.000 0.324 70 F C 0.284 176.009 175.800 -0.125 0.000 1.061 70 F CA -1.009 56.890 58.000 -0.167 0.000 0.954 70 F CB 1.117 39.878 39.000 -0.397 0.000 1.301 70 F HN 0.340 nan 8.300 nan 0.000 0.482 71 D N 1.792 122.299 120.400 0.178 0.000 2.401 71 D HA 0.129 4.769 4.640 0.000 0.000 0.254 71 D C 0.267 176.633 176.300 0.110 0.000 1.192 71 D CA 0.592 54.674 54.000 0.138 0.000 0.885 71 D CB 0.691 41.605 40.800 0.191 0.000 1.147 71 D HN 0.494 nan 8.370 nan 0.000 0.478 72 L N 3.400 124.660 121.223 0.061 0.000 2.769 72 L HA 0.234 4.574 4.340 0.000 0.000 0.240 72 L C 0.869 177.782 176.870 0.071 0.000 1.163 72 L CA -0.289 54.579 54.840 0.048 0.000 0.962 72 L CB 0.120 42.187 42.059 0.013 0.000 1.258 72 L HN 0.059 nan 8.230 nan 0.000 0.513 73 R N 0.372 120.919 120.500 0.078 0.000 2.539 73 R HA 0.184 4.524 4.340 0.000 0.000 0.275 73 R C -0.504 175.834 176.300 0.064 0.000 1.077 73 R CA -0.496 55.642 56.100 0.063 0.000 1.097 73 R CB 0.562 30.893 30.300 0.051 0.000 1.018 73 R HN -0.083 nan 8.270 nan 0.000 0.483 74 D N 2.078 122.497 120.400 0.032 0.000 2.345 74 D HA 0.075 4.715 4.640 0.000 0.000 0.247 74 D C -0.290 175.979 176.300 -0.052 0.000 1.108 74 D CA 0.173 54.157 54.000 -0.028 0.000 0.894 74 D CB 0.885 41.640 40.800 -0.075 0.000 1.203 74 D HN 0.345 nan 8.370 nan 0.000 0.430 75 E N 0.215 120.369 120.200 -0.077 0.000 2.202 75 E HA 0.572 4.922 4.350 0.000 0.000 0.272 75 E C -0.647 175.888 176.600 -0.109 0.000 0.951 75 E CA -0.708 55.666 56.400 -0.043 0.000 0.813 75 E CB 1.715 31.436 29.700 0.034 0.000 1.151 75 E HN 0.163 nan 8.360 nan 0.000 0.398 76 T N 2.067 116.578 114.554 -0.072 0.000 2.921 76 T HA 0.537 4.887 4.350 0.000 0.000 0.297 76 T C -0.978 173.700 174.700 -0.038 0.000 1.013 76 T CA -0.782 61.268 62.100 -0.084 0.000 0.990 76 T CB 1.311 70.130 68.868 -0.082 0.000 1.023 76 T HN 0.339 nan 8.240 nan 0.000 0.447 77 R N 2.330 122.811 120.500 -0.032 0.000 2.604 77 R HA 0.400 4.740 4.340 0.000 0.000 0.281 77 R C -1.316 174.978 176.300 -0.009 0.000 1.020 77 R CA -0.677 55.419 56.100 -0.007 0.000 0.899 77 R CB 1.148 31.462 30.300 0.023 0.000 1.205 77 R HN 0.579 nan 8.270 nan 0.000 0.450 78 N N 3.311 122.008 118.700 -0.005 0.000 2.457 78 N HA 0.230 4.970 4.740 0.000 0.000 0.250 78 N C -1.209 174.306 175.510 0.008 0.000 0.982 78 N CA -0.285 52.764 53.050 -0.003 0.000 0.941 78 N CB 2.141 40.625 38.487 -0.005 0.000 1.120 78 N HN 0.174 nan 8.380 nan 0.000 0.505 79 V N 0.837 120.761 119.914 0.017 0.000 2.289 79 V HA 0.390 4.510 4.120 0.000 0.000 0.272 79 V C 0.772 176.880 176.094 0.022 0.000 1.026 79 V CA -0.923 61.393 62.300 0.026 0.000 0.807 79 V CB 0.809 32.661 31.823 0.048 0.000 1.044 79 V HN 0.902 nan 8.190 nan 0.000 0.443 80 G N 4.882 113.691 108.800 0.015 0.000 2.374 80 G HA2 -0.040 3.920 3.960 0.000 0.000 0.289 80 G HA3 -0.040 3.920 3.960 0.000 0.000 0.289 80 G C 0.649 175.555 174.900 0.011 0.000 1.004 80 G CA 0.733 45.841 45.100 0.012 0.000 1.292 80 G HN 2.418 nan 8.290 nan 0.000 0.502 81 S N -2.135 113.569 115.700 0.007 0.000 2.929 81 S HA -0.238 4.232 4.470 0.000 0.000 0.271 81 S C 0.355 174.958 174.600 0.004 0.000 1.295 81 S CA 2.383 60.586 58.200 0.005 0.000 1.277 81 S CB -1.664 61.539 63.200 0.005 0.000 1.557 81 S HN 1.583 nan 8.310 nan 0.000 0.666 82 Q N 0.306 120.110 119.800 0.006 0.000 2.348 82 Q HA 0.661 5.001 4.340 0.000 0.000 0.271 82 Q C -0.982 175.011 176.000 -0.012 0.000 1.067 82 Q CA -0.571 55.233 55.803 0.001 0.000 0.839 82 Q CB 2.017 30.764 28.738 0.015 0.000 1.354 82 Q HN 0.355 nan 8.270 nan 0.000 0.447 83 T N 2.238 116.771 114.554 -0.035 0.000 2.791 83 T HA 0.438 4.788 4.350 0.000 0.000 0.288 83 T C -0.477 174.145 174.700 -0.130 0.000 0.999 83 T CA -0.502 61.562 62.100 -0.060 0.000 0.952 83 T CB 0.278 69.114 68.868 -0.053 0.000 0.938 83 T HN 0.271 nan 8.240 nan 0.000 0.444 84 L N 4.060 125.200 121.223 -0.138 0.000 2.292 84 L HA 0.510 4.850 4.340 0.000 0.000 0.284 84 L C 0.302 176.962 176.870 -0.350 0.000 1.065 84 L CA -0.630 54.033 54.840 -0.294 0.000 0.806 84 L CB 0.883 42.921 42.059 -0.036 0.000 1.175 84 L HN 0.480 nan 8.230 nan 0.000 0.431 85 Q N 2.028 121.456 119.800 -0.620 0.000 2.356 85 Q HA 0.496 4.836 4.340 0.000 0.000 0.270 85 Q C -0.671 175.055 176.000 -0.457 0.000 1.058 85 Q CA -0.741 54.760 55.803 -0.504 0.000 0.802 85 Q CB 2.998 31.490 28.738 -0.409 0.000 1.303 85 Q HN 0.699 nan 8.270 nan 0.000 0.444 86 T N -1.148 113.183 114.554 -0.372 0.000 2.856 86 T HA 0.761 5.111 4.350 0.000 0.000 0.283 86 T C -0.817 173.627 174.700 -0.427 0.000 1.008 86 T CA -0.552 61.490 62.100 -0.097 0.000 0.997 86 T CB 0.600 69.556 68.868 0.147 0.000 0.992 86 T HN 0.331 nan 8.240 nan 0.000 0.454 87 F N 1.361 121.425 119.950 0.190 0.000 2.507 87 F HA 0.507 5.034 4.527 0.000 0.000 0.328 87 F C 1.097 177.009 175.800 0.186 0.000 1.136 87 F CA -1.000 57.092 58.000 0.154 0.000 0.930 87 F CB 2.379 41.453 39.000 0.125 0.000 1.166 87 F HN 0.565 nan 8.300 nan 0.000 0.436 88 K N 1.773 122.344 120.400 0.285 0.000 2.358 88 K HA 0.378 4.698 4.320 0.000 0.000 0.197 88 K C 0.502 177.220 176.600 0.198 0.000 1.025 88 K CA -0.181 56.247 56.287 0.235 0.000 1.104 88 K CB 0.727 33.336 32.500 0.182 0.000 0.855 88 K HN 0.611 nan 8.250 nan 0.000 0.531 89 A N 2.101 125.039 122.820 0.197 0.000 2.524 89 A HA 0.082 4.402 4.320 0.000 0.000 0.250 89 A C 0.302 177.969 177.584 0.137 0.000 1.078 89 A CA 0.058 52.175 52.037 0.133 0.000 0.761 89 A CB 0.008 19.067 19.000 0.098 0.000 1.012 89 A HN 0.427 nan 8.150 nan 0.000 0.500 90 R N 0.720 121.285 120.500 0.108 0.000 3.875 90 R HA -0.245 4.095 4.340 0.000 0.000 0.321 90 R C 1.053 177.491 176.300 0.230 0.000 1.196 90 R CA 1.471 57.635 56.100 0.107 0.000 0.868 90 R CB -2.401 27.927 30.300 0.045 0.000 1.333 90 R HN 1.102 nan 8.270 nan 0.000 0.522 91 Q N 0.217 120.163 119.800 0.244 0.000 2.297 91 Q HA 0.045 4.385 4.340 0.000 0.000 0.204 91 Q C 1.102 177.280 176.000 0.297 0.000 0.962 91 Q CA 1.252 57.235 55.803 0.299 0.000 0.879 91 Q CB 0.192 29.060 28.738 0.217 0.000 0.947 91 Q HN 0.446 nan 8.270 nan 0.000 0.462 92 G N 1.780 110.730 108.800 0.251 0.000 2.256 92 G HA2 -0.256 3.704 3.960 0.000 0.000 0.272 92 G HA3 -0.256 3.704 3.960 0.000 0.000 0.272 92 G C -0.319 174.536 174.900 -0.075 0.000 1.076 92 G CA 0.091 45.297 45.100 0.176 0.000 0.882 92 G HN 0.428 nan 8.290 nan 0.000 0.497 93 L N 0.135 121.314 121.223 -0.073 0.000 2.584 93 L HA 0.496 4.836 4.340 0.000 0.000 0.272 93 L C 1.468 178.247 176.870 -0.153 0.000 1.195 93 L CA 1.739 56.480 54.840 -0.164 0.000 0.920 93 L CB 0.341 42.239 42.059 -0.269 0.000 1.173 93 L HN 1.713 nan 8.230 nan 0.000 0.489 94 G N 2.990 111.689 108.800 -0.168 0.000 2.141 94 G HA2 -0.222 3.738 3.960 0.000 0.000 0.231 94 G HA3 -0.222 3.738 3.960 0.000 0.000 0.231 94 G C 0.859 175.689 174.900 -0.117 0.000 0.984 94 G CA 0.307 45.342 45.100 -0.109 0.000 0.660 94 G HN 1.312 nan 8.290 nan 0.000 0.525 95 A N -0.446 122.230 122.820 -0.239 0.000 2.070 95 A HA 0.498 4.818 4.320 0.000 0.000 0.220 95 A C 1.603 179.132 177.584 -0.092 0.000 1.159 95 A CA 2.294 54.132 52.037 -0.333 0.000 0.656 95 A CB -0.188 18.423 19.000 -0.649 0.000 0.800 95 A HN 2.181 nan 8.150 nan 0.000 0.453 96 S N -1.505 114.115 115.700 -0.135 0.000 2.536 96 S HA 0.600 5.070 4.470 0.000 0.000 0.271 96 S C -0.863 173.694 174.600 -0.072 0.000 1.134 96 S CA -0.071 58.080 58.200 -0.083 0.000 0.897 96 S CB 1.463 64.581 63.200 -0.136 0.000 1.094 96 S HN 1.400 nan 8.310 nan 0.000 0.473 97 V N -0.333 119.556 119.914 -0.042 0.000 2.925 97 V HA 1.014 5.134 4.120 0.000 0.000 0.311 97 V C -0.874 175.219 176.094 -0.003 0.000 1.104 97 V CA -0.717 61.568 62.300 -0.025 0.000 0.954 97 V CB 1.206 33.017 31.823 -0.019 0.000 1.022 97 V HN 1.511 nan 8.190 nan 0.000 0.427 98 V N 2.444 122.376 119.914 0.030 0.000 2.891 98 V HA 0.763 4.883 4.120 0.000 0.000 0.304 98 V C -0.566 175.609 176.094 0.135 0.000 1.171 98 V CA 0.419 62.762 62.300 0.071 0.000 0.943 98 V CB 2.328 34.187 31.823 0.060 0.000 1.037 98 V HN 1.491 nan 8.190 nan 0.000 0.427 99 S N 5.978 121.789 115.700 0.185 0.000 2.489 99 S HA 0.760 5.230 4.470 0.000 0.000 0.291 99 S C -1.470 173.325 174.600 0.325 0.000 1.151 99 S CA -0.405 57.961 58.200 0.277 0.000 1.082 99 S CB 1.019 64.425 63.200 0.344 0.000 1.019 99 S HN 1.002 nan 8.310 nan 0.000 0.492 100 W N 4.755 126.136 121.300 0.134 0.000 3.042 100 W HA 0.525 5.185 4.660 0.000 0.000 0.337 100 W C 0.278 176.842 176.519 0.074 0.000 1.086 100 W CA 0.327 57.722 57.345 0.084 0.000 1.236 100 W CB 1.041 30.538 29.460 0.062 0.000 1.381 100 W HN 0.916 nan 8.180 nan 0.000 0.472 101 S N 2.707 117.893 115.700 -0.856 0.000 4.112 101 S HA -0.363 4.107 4.470 0.000 0.000 0.602 101 S C 0.711 175.087 174.600 -0.373 0.000 1.939 101 S CA 2.196 59.883 58.200 -0.855 0.000 4.230 101 S CB -1.231 61.058 63.200 -1.519 0.000 0.245 101 S HN 0.965 nan 8.310 nan 0.000 0.530 102 D N 1.850 122.092 120.400 -0.262 0.000 2.491 102 D HA 0.423 5.063 4.640 0.000 0.000 0.228 102 D C 0.022 176.408 176.300 0.142 0.000 1.183 102 D CA 0.056 54.028 54.000 -0.048 0.000 0.827 102 D CB -0.169 40.566 40.800 -0.108 0.000 0.989 102 D HN 0.375 nan 8.370 nan 0.000 0.494 103 V N 0.658 120.701 119.914 0.215 0.000 2.656 103 V HA 0.431 4.551 4.120 0.000 0.000 0.307 103 V C -0.072 176.199 176.094 0.294 0.000 1.051 103 V CA -0.882 61.589 62.300 0.285 0.000 0.893 103 V CB 2.375 34.438 31.823 0.401 0.000 0.999 103 V HN 0.050 nan 8.190 nan 0.000 0.426 104 I N 3.996 124.694 120.570 0.214 0.000 2.406 104 I HA 0.486 4.656 4.170 0.000 0.000 0.290 104 I C -0.742 175.486 176.117 0.184 0.000 0.999 104 I CA -0.769 60.619 61.300 0.147 0.000 1.124 104 I CB 2.048 40.056 38.000 0.013 0.000 1.289 104 I HN 0.280 nan 8.210 nan 0.000 0.441 105 V N 5.745 125.740 119.914 0.134 0.000 2.370 105 V HA 0.716 4.836 4.120 0.000 0.000 0.283 105 V C 0.144 176.244 176.094 0.009 0.000 1.023 105 V CA -0.482 61.860 62.300 0.071 0.000 0.857 105 V CB 1.341 33.193 31.823 0.049 0.000 0.985 105 V HN 0.805 nan 8.190 nan 0.000 0.443 106 A N 4.241 127.024 122.820 -0.061 0.000 2.343 106 A HA 0.743 5.063 4.320 0.000 0.000 0.308 106 A C -0.555 176.952 177.584 -0.128 0.000 1.092 106 A CA -0.366 51.593 52.037 -0.131 0.000 0.751 106 A CB 1.140 20.005 19.000 -0.226 0.000 1.203 106 A HN 0.815 nan 8.150 nan 0.000 0.452 107 c N 1.515 120.041 118.600 -0.123 0.000 2.435 107 c HA 0.843 5.413 4.570 0.000 0.000 0.333 107 c C 0.831 174.829 174.090 -0.154 0.000 1.202 107 c CA -0.214 56.044 56.329 -0.118 0.000 1.830 107 c CB 1.191 43.601 42.510 -0.166 0.000 2.326 107 c HN 1.033 nan 8.230 nan 0.000 0.507 108 A N 3.233 125.993 122.820 -0.100 0.000 2.664 108 A HA 0.583 4.903 4.320 0.000 0.000 0.338 108 A C -2.039 175.388 177.584 -0.262 0.000 1.280 108 A CA -0.953 51.005 52.037 -0.132 0.000 0.809 108 A CB 0.218 19.275 19.000 0.095 0.000 1.114 108 A HN 0.655 nan 8.150 nan 0.000 0.479 109 P HA -0.073 nan 4.420 nan 0.000 0.223 109 P C 0.454 177.422 177.300 -0.554 0.000 1.151 109 P CA 0.998 63.688 63.100 -0.684 0.000 0.787 109 P CB 0.177 31.202 31.700 -1.126 0.000 0.788 110 W N -0.336 120.955 121.300 -0.016 0.000 3.067 110 W HA 0.347 5.007 4.660 0.000 0.000 0.417 110 W C 0.324 176.874 176.519 0.052 0.000 1.029 110 W CA -0.493 56.849 57.345 -0.005 0.000 1.992 110 W CB -1.032 28.459 29.460 0.052 0.000 1.122 110 W HN 0.078 nan 8.180 nan 0.000 0.681 111 Q N 1.274 121.168 119.800 0.158 0.000 2.274 111 Q HA -0.006 4.334 4.340 0.000 0.000 0.280 111 Q C -0.624 175.484 176.000 0.180 0.000 1.047 111 Q CA 0.751 56.684 55.803 0.217 0.000 0.907 111 Q CB 0.564 29.390 28.738 0.148 0.000 1.171 111 Q HN 0.146 nan 8.270 nan 0.000 0.381 112 H N 2.687 121.932 119.070 0.290 0.000 2.496 112 H HA 0.471 5.027 4.556 0.000 0.000 0.342 112 H C -1.097 174.539 175.328 0.514 0.000 1.170 112 H CA -0.199 56.051 56.048 0.336 0.000 1.274 112 H CB 1.003 30.912 29.762 0.246 0.000 1.538 112 H HN 0.637 nan 8.280 nan 0.000 0.542 113 W N 2.507 124.013 121.300 0.343 0.000 3.372 113 W HA 0.379 5.039 4.660 0.000 0.000 0.315 113 W C -1.956 174.720 176.519 0.261 0.000 1.223 113 W CA -0.417 57.083 57.345 0.258 0.000 1.202 113 W CB 2.158 31.662 29.460 0.074 0.000 1.367 113 W HN 0.563 nan 8.180 nan 0.000 0.531 114 N N 2.351 120.739 118.700 -0.520 0.000 2.591 114 N HA 0.621 5.361 4.740 0.000 0.000 0.263 114 N C -2.273 172.794 175.510 -0.738 0.000 1.308 114 N CA -0.395 52.399 53.050 -0.427 0.000 0.837 114 N CB 2.596 41.079 38.487 -0.007 0.000 1.548 114 N HN 0.138 nan 8.380 nan 0.000 0.493 115 V N 2.386 122.079 119.914 -0.368 0.000 2.525 115 V HA 0.514 4.634 4.120 0.000 0.000 0.299 115 V C -0.475 175.563 176.094 -0.093 0.000 1.034 115 V CA -0.663 61.487 62.300 -0.250 0.000 0.863 115 V CB 1.521 33.286 31.823 -0.096 0.000 0.999 115 V HN 0.487 nan 8.190 nan 0.000 0.423 116 L N 4.138 125.315 121.223 -0.078 0.000 2.317 116 L HA 0.706 5.046 4.340 0.000 0.000 0.281 116 L C -0.108 176.753 176.870 -0.015 0.000 1.024 116 L CA -0.298 54.524 54.840 -0.029 0.000 0.810 116 L CB 1.747 43.793 42.059 -0.022 0.000 1.240 116 L HN 0.683 nan 8.230 nan 0.000 0.427 117 E N 4.604 124.804 120.200 -0.000 0.000 2.343 117 E HA 0.280 4.630 4.350 0.000 0.000 0.260 117 E C -0.696 175.908 176.600 0.006 0.000 0.908 117 E CA -0.392 56.011 56.400 0.004 0.000 0.814 117 E CB 0.995 30.700 29.700 0.009 0.000 1.302 117 E HN 0.595 nan 8.360 nan 0.000 0.408 118 K N 0.107 120.510 120.400 0.005 0.000 1.779 118 K HA -0.302 4.018 4.320 0.000 0.000 0.128 118 K C 1.177 177.782 176.600 0.008 0.000 1.288 118 K CA 2.190 58.481 56.287 0.006 0.000 0.398 118 K CB -1.596 30.908 32.500 0.006 0.000 0.609 118 K HN 0.672 nan 8.250 nan 0.000 0.874 119 T N -0.029 114.532 114.554 0.010 0.000 3.088 119 T HA 0.071 4.421 4.350 0.000 0.000 0.259 119 T C 0.611 175.322 174.700 0.018 0.000 1.122 119 T CA 0.654 62.762 62.100 0.013 0.000 1.095 119 T CB -0.035 68.840 68.868 0.013 0.000 0.930 119 T HN 0.345 nan 8.240 nan 0.000 0.508 120 E N 1.253 121.464 120.200 0.019 0.000 2.292 120 E HA 0.543 4.893 4.350 0.000 0.000 0.258 120 E C -0.151 176.467 176.600 0.030 0.000 1.115 120 E CA -0.789 55.627 56.400 0.028 0.000 0.929 120 E CB 0.935 30.651 29.700 0.028 0.000 1.161 120 E HN 0.719 nan 8.360 nan 0.000 0.453 121 E N -1.134 119.093 120.200 0.045 0.000 2.445 121 E HA 0.530 4.880 4.350 0.000 0.000 0.279 121 E C -0.621 176.030 176.600 0.083 0.000 1.018 121 E CA -0.826 55.601 56.400 0.045 0.000 0.816 121 E CB 1.029 30.750 29.700 0.035 0.000 1.356 121 E HN 0.377 nan 8.360 nan 0.000 0.462 122 A N 0.837 123.708 122.820 0.086 0.000 2.123 122 A HA 0.080 4.400 4.320 0.000 0.000 0.214 122 A C 0.027 177.703 177.584 0.152 0.000 1.152 122 A CA 1.148 53.280 52.037 0.158 0.000 0.728 122 A CB -0.644 18.458 19.000 0.170 0.000 0.814 122 A HN 0.634 nan 8.150 nan 0.000 0.464 123 E N -1.374 118.890 120.200 0.107 0.000 7.544 123 E HA -0.101 4.249 4.350 0.000 0.000 0.387 123 E C -0.691 175.974 176.600 0.108 0.000 0.583 123 E CA 0.131 56.597 56.400 0.111 0.000 1.114 123 E CB -0.400 29.392 29.700 0.153 0.000 0.941 123 E HN 0.514 nan 8.360 nan 0.000 0.262 124 K N 2.813 123.265 120.400 0.088 0.000 2.363 124 K HA 0.224 4.544 4.320 0.000 0.000 0.289 124 K C -0.394 176.349 176.600 0.238 0.000 1.063 124 K CA 0.702 57.055 56.287 0.111 0.000 0.967 124 K CB 0.372 32.844 32.500 -0.046 0.000 0.987 124 K HN 0.468 nan 8.250 nan 0.000 0.473 125 T N 1.230 115.952 114.554 0.280 0.000 2.883 125 T HA 0.462 4.812 4.350 0.000 0.000 0.296 125 T C -2.875 171.797 174.700 -0.047 0.000 1.117 125 T CA -2.062 60.166 62.100 0.212 0.000 1.006 125 T CB 1.896 70.839 68.868 0.124 0.000 1.191 125 T HN 0.337 nan 8.240 nan 0.000 0.508 126 P HA 0.242 nan 4.420 nan 0.000 0.241 126 P C 1.276 178.465 177.300 -0.185 0.000 1.780 126 P CA -0.551 62.286 63.100 -0.438 0.000 1.111 126 P CB 0.317 31.822 31.700 -0.325 0.000 1.852 127 V N 0.343 120.162 119.914 -0.157 0.000 2.871 127 V HA 0.241 4.361 4.120 0.000 0.000 0.256 127 V C 0.977 176.919 176.094 -0.253 0.000 1.082 127 V CA 0.914 63.076 62.300 -0.230 0.000 1.105 127 V CB -1.799 29.843 31.823 -0.302 0.000 0.713 127 V HN 0.655 nan 8.190 nan 0.000 0.473 128 G N -0.387 108.294 108.800 -0.199 0.000 2.814 128 G HA2 0.094 4.054 3.960 0.000 0.000 0.677 128 G HA3 0.094 4.054 3.960 0.000 0.000 0.677 128 G C -0.375 174.371 174.900 -0.257 0.000 1.429 128 G CA 0.047 45.017 45.100 -0.217 0.000 0.868 128 G HN 1.596 nan 8.290 nan 0.000 0.553 129 S N -1.476 114.075 115.700 -0.248 0.000 2.543 129 S HA 0.631 5.101 4.470 0.000 0.000 0.274 129 S C -0.474 173.945 174.600 -0.301 0.000 1.149 129 S CA 0.117 58.117 58.200 -0.332 0.000 0.866 129 S CB 1.145 64.122 63.200 -0.371 0.000 1.111 129 S HN 1.533 nan 8.310 nan 0.000 0.457 130 c N 3.364 121.759 118.600 -0.342 0.000 2.411 130 c HA 0.755 5.325 4.570 0.000 0.000 0.330 130 c C -0.980 172.874 174.090 -0.393 0.000 1.224 130 c CA -0.662 55.528 56.329 -0.232 0.000 1.770 130 c CB 0.038 42.478 42.510 -0.116 0.000 2.297 130 c HN 0.741 nan 8.230 nan 0.000 0.507 131 F N 2.651 122.407 119.950 -0.324 0.000 2.436 131 F HA 0.670 5.197 4.527 0.000 0.000 0.340 131 F C -0.051 175.593 175.800 -0.259 0.000 1.113 131 F CA -0.733 57.037 58.000 -0.384 0.000 1.022 131 F CB 0.742 39.252 39.000 -0.817 0.000 1.128 131 F HN 0.176 nan 8.300 nan 0.000 0.466 132 L N 3.317 124.533 121.223 -0.012 0.000 2.329 132 L HA 0.839 5.179 4.340 0.000 0.000 0.279 132 L C -0.226 176.826 176.870 0.304 0.000 1.014 132 L CA -0.515 54.359 54.840 0.057 0.000 0.814 132 L CB 1.665 43.550 42.059 -0.289 0.000 1.257 132 L HN 0.743 nan 8.230 nan 0.000 0.424 133 A N 2.531 125.614 122.820 0.437 0.000 2.414 133 A HA 0.683 5.003 4.320 0.000 0.000 0.306 133 A C -0.921 176.845 177.584 0.303 0.000 1.054 133 A CA -0.524 51.733 52.037 0.365 0.000 0.724 133 A CB 1.517 20.631 19.000 0.191 0.000 1.267 133 A HN 0.654 nan 8.150 nan 0.000 0.418 134 Q N 2.938 122.865 119.800 0.212 0.000 2.560 134 Q HA 0.344 4.684 4.340 0.000 0.000 0.238 134 Q C -2.027 173.991 176.000 0.032 0.000 1.079 134 Q CA -2.060 53.786 55.803 0.072 0.000 0.866 134 Q CB 0.941 29.631 28.738 -0.079 0.000 1.153 134 Q HN 0.462 nan 8.270 nan 0.000 0.530 135 P HA -0.206 nan 4.420 nan 0.000 0.217 135 P C 0.417 177.722 177.300 0.008 0.000 1.151 135 P CA 1.221 64.317 63.100 -0.006 0.000 0.849 135 P CB 0.480 32.173 31.700 -0.010 0.000 0.787 136 E N -0.681 119.528 120.200 0.016 0.000 2.051 136 E HA -0.102 4.248 4.350 0.000 0.000 0.189 136 E C 2.079 178.679 176.600 -0.001 0.000 0.979 136 E CA 1.542 57.947 56.400 0.008 0.000 0.803 136 E CB -0.528 29.157 29.700 -0.026 0.000 0.761 136 E HN 0.221 nan 8.360 nan 0.000 0.451 137 S N -1.537 114.155 115.700 -0.015 0.000 2.527 137 S HA 0.124 4.594 4.470 0.000 0.000 0.222 137 S C 1.741 176.341 174.600 -0.001 0.000 0.985 137 S CA 0.628 58.819 58.200 -0.015 0.000 0.921 137 S CB 0.293 63.470 63.200 -0.037 0.000 0.772 137 S HN 0.402 nan 8.310 nan 0.000 0.529 138 G N 1.372 110.173 108.800 0.002 0.000 2.179 138 G HA2 -0.285 3.675 3.960 0.000 0.000 0.260 138 G HA3 -0.285 3.675 3.960 0.000 0.000 0.260 138 G C 0.187 175.108 174.900 0.035 0.000 0.977 138 G CA 0.090 45.193 45.100 0.004 0.000 0.641 138 G HN 0.600 nan 8.290 nan 0.000 0.533 139 R N 0.240 120.777 120.500 0.062 0.000 2.643 139 R HA 0.491 4.831 4.340 0.000 0.000 0.270 139 R C 0.297 176.747 176.300 0.250 0.000 1.061 139 R CA 0.114 56.303 56.100 0.148 0.000 1.107 139 R CB 0.342 30.715 30.300 0.123 0.000 0.999 139 R HN 0.129 nan 8.270 nan 0.000 0.460 140 R N 0.623 121.279 120.500 0.261 0.000 2.686 140 R HA 0.642 4.982 4.340 0.000 0.000 0.283 140 R C -1.022 175.268 176.300 -0.017 0.000 0.978 140 R CA -0.791 55.424 56.100 0.192 0.000 0.897 140 R CB 2.301 32.685 30.300 0.140 0.000 1.192 140 R HN 0.749 nan 8.270 nan 0.000 0.457 141 A N 1.563 124.154 122.820 -0.383 0.000 2.564 141 A HA 0.775 5.095 4.320 0.000 0.000 0.288 141 A C -1.199 175.837 177.584 -0.913 0.000 1.164 141 A CA -0.653 50.764 52.037 -1.033 0.000 0.712 141 A CB 2.071 20.356 19.000 -1.192 0.000 1.303 141 A HN 0.635 nan 8.150 nan 0.000 0.418 142 E N -1.070 118.493 120.200 -1.062 0.000 2.393 142 E HA 0.525 4.875 4.350 0.000 0.000 0.273 142 E C -2.255 174.365 176.600 0.033 0.000 0.918 142 E CA -0.511 55.611 56.400 -0.463 0.000 0.773 142 E CB 2.666 32.155 29.700 -0.352 0.000 1.275 142 E HN 0.527 nan 8.360 nan 0.000 0.451 143 Y N 0.715 120.888 120.300 -0.210 0.000 2.307 143 Y HA 0.360 4.910 4.550 0.000 0.000 0.323 143 Y C -1.335 174.360 175.900 -0.342 0.000 1.100 143 Y CA -0.660 57.318 58.100 -0.204 0.000 1.140 143 Y CB 1.853 40.185 38.460 -0.214 0.000 1.159 143 Y HN 0.384 nan 8.280 nan 0.000 0.436 144 S N 8.574 123.779 115.700 -0.825 0.000 2.279 144 S HA 0.339 4.809 4.470 0.000 0.000 0.176 144 S C -2.229 171.793 174.600 -0.964 0.000 1.554 144 S CA -1.154 56.556 58.200 -0.816 0.000 1.242 144 S CB 0.638 63.480 63.200 -0.596 0.000 1.163 144 S HN 0.607 nan 8.310 nan 0.000 0.449 145 P HA 0.145 nan 4.420 nan 0.000 0.233 145 P C 0.749 177.705 177.300 -0.572 0.000 1.167 145 P CA 0.414 63.009 63.100 -0.841 0.000 0.770 145 P CB -0.122 31.087 31.700 -0.818 0.000 0.837 146 c N -0.510 117.750 118.600 -0.566 0.000 2.906 146 c HA 0.268 4.838 4.570 0.000 0.000 0.274 146 c C 1.302 175.090 174.090 -0.502 0.000 1.257 146 c CA -0.462 55.589 56.329 -0.462 0.000 1.695 146 c CB -1.259 40.996 42.510 -0.424 0.000 1.958 146 c HN 0.170 nan 8.230 nan 0.000 0.619 147 R N 1.217 121.303 120.500 -0.689 0.000 2.537 147 R HA 0.442 4.782 4.340 0.000 0.000 0.280 147 R C 0.502 176.501 176.300 -0.501 0.000 1.058 147 R CA 0.505 56.019 56.100 -0.976 0.000 1.057 147 R CB 0.377 29.805 30.300 -1.454 0.000 0.973 147 R HN 0.513 nan 8.270 nan 0.000 0.438 148 G N 0.557 109.255 108.800 -0.172 0.000 2.733 148 G HA2 0.209 4.169 3.960 0.000 0.000 0.288 148 G HA3 0.209 4.169 3.960 0.000 0.000 0.288 148 G C -0.572 174.535 174.900 0.344 0.000 1.373 148 G CA -0.703 44.454 45.100 0.095 0.000 0.895 148 G HN 0.690 nan 8.290 nan 0.000 0.479 149 N N -1.046 117.788 118.700 0.223 0.000 2.305 149 N HA 0.132 4.872 4.740 0.000 0.000 0.248 149 N C -0.155 175.429 175.510 0.124 0.000 1.290 149 N CA -0.307 52.866 53.050 0.205 0.000 0.873 149 N CB 0.709 39.292 38.487 0.160 0.000 1.261 149 N HN 0.238 nan 8.380 nan 0.000 0.504 150 T N 1.756 116.386 114.554 0.127 0.000 2.832 150 T HA 0.334 4.684 4.350 0.000 0.000 0.296 150 T C 0.558 175.315 174.700 0.095 0.000 0.968 150 T CA -0.341 61.766 62.100 0.012 0.000 1.107 150 T CB 0.979 69.722 68.868 -0.208 0.000 0.916 150 T HN 0.119 nan 8.240 nan 0.000 0.517 151 L N 2.104 123.341 121.223 0.022 0.000 2.436 151 L HA 0.219 4.559 4.340 0.000 0.000 0.265 151 L C 2.050 178.999 176.870 0.132 0.000 1.168 151 L CA -0.368 54.519 54.840 0.079 0.000 0.815 151 L CB 0.587 42.667 42.059 0.034 0.000 1.109 151 L HN 0.680 nan 8.230 nan 0.000 0.462 152 S N 1.197 117.017 115.700 0.200 0.000 2.368 152 S HA -0.256 4.214 4.470 0.000 0.000 0.226 152 S C 2.053 176.756 174.600 0.170 0.000 1.044 152 S CA 2.020 60.379 58.200 0.266 0.000 1.062 152 S CB -0.217 63.097 63.200 0.189 0.000 0.931 152 S HN 0.698 nan 8.310 nan 0.000 0.440 153 R N 0.263 120.807 120.500 0.074 0.000 2.133 153 R HA -0.121 4.219 4.340 0.000 0.000 0.247 153 R C 2.066 178.338 176.300 -0.047 0.000 1.151 153 R CA 1.958 58.066 56.100 0.013 0.000 0.971 153 R CB -0.395 29.907 30.300 0.003 0.000 0.866 153 R HN 0.424 nan 8.270 nan 0.000 0.447 154 I N 0.279 120.794 120.570 -0.092 0.000 2.226 154 I HA -0.253 3.917 4.170 0.000 0.000 0.245 154 I C 1.870 177.846 176.117 -0.236 0.000 1.100 154 I CA 1.411 62.599 61.300 -0.186 0.000 1.374 154 I CB -1.224 36.613 38.000 -0.272 0.000 1.057 154 I HN 0.193 nan 8.210 nan 0.000 0.413 155 Y N 0.676 120.900 120.300 -0.127 0.000 2.274 155 Y HA -0.137 4.413 4.550 0.000 0.000 0.290 155 Y C 2.650 178.152 175.900 -0.664 0.000 1.145 155 Y CA 0.901 58.842 58.100 -0.265 0.000 1.203 155 Y CB -1.019 37.372 38.460 -0.115 0.000 0.984 155 Y HN -0.088 nan 8.280 nan 0.000 0.533 156 V N -0.093 119.586 119.914 -0.391 0.000 2.358 156 V HA -0.246 3.874 4.120 0.000 0.000 0.246 156 V C 1.866 177.778 176.094 -0.303 0.000 1.047 156 V CA 2.006 64.020 62.300 -0.475 0.000 1.035 156 V CB -0.509 31.216 31.823 -0.164 0.000 0.658 156 V HN 0.388 nan 8.190 nan 0.000 0.452 157 E N 0.230 120.314 120.200 -0.194 0.000 2.208 157 E HA -0.147 4.203 4.350 0.000 0.000 0.193 157 E C 1.899 178.414 176.600 -0.142 0.000 0.988 157 E CA 0.814 57.134 56.400 -0.133 0.000 0.828 157 E CB -0.185 29.459 29.700 -0.094 0.000 0.763 157 E HN 0.509 nan 8.360 nan 0.000 0.478 158 N N 1.019 119.612 118.700 -0.178 0.000 2.453 158 N HA -0.099 4.641 4.740 0.000 0.000 0.183 158 N C -0.601 174.814 175.510 -0.158 0.000 1.041 158 N CA 0.870 53.827 53.050 -0.156 0.000 0.900 158 N CB 0.005 38.417 38.487 -0.125 0.000 0.961 158 N HN 0.062 nan 8.380 nan 0.000 0.443 159 D N -1.110 119.171 120.400 -0.197 0.000 2.699 159 D HA -0.223 4.417 4.640 0.000 0.000 0.239 159 D C -0.792 175.530 176.300 0.037 0.000 1.136 159 D CA 0.276 54.223 54.000 -0.090 0.000 0.668 159 D CB -1.909 38.870 40.800 -0.034 0.000 1.060 159 D HN 0.270 nan 8.370 nan 0.000 0.429 160 F N -2.001 117.958 119.950 0.015 0.000 2.983 160 F HA -0.286 4.241 4.527 0.000 0.000 0.288 160 F C 0.898 176.721 175.800 0.039 0.000 0.980 160 F CA 0.727 58.778 58.000 0.084 0.000 0.965 160 F CB -2.218 36.743 39.000 -0.064 0.000 0.967 160 F HN 0.158 nan 8.300 nan 0.000 0.800 161 S N -1.160 114.585 115.700 0.075 0.000 2.541 161 S HA 0.543 5.013 4.470 0.000 0.000 0.283 161 S C 0.137 174.779 174.600 0.070 0.000 1.196 161 S CA -0.373 57.719 58.200 -0.180 0.000 1.062 161 S CB 1.243 64.088 63.200 -0.591 0.000 1.009 161 S HN 0.543 nan 8.310 nan 0.000 0.502 162 W N 0.574 121.997 121.300 0.205 0.000 5.770 162 W HA -0.147 4.513 4.660 0.000 0.000 0.389 162 W C -0.408 176.332 176.519 0.367 0.000 1.469 162 W CA 0.567 58.100 57.345 0.313 0.000 0.975 162 W CB -2.139 27.434 29.460 0.189 0.000 2.622 162 W HN 0.920 nan 8.180 nan 0.000 1.500 163 D N 1.091 121.783 120.400 0.487 0.000 2.441 163 D HA 0.205 4.845 4.640 0.000 0.000 0.221 163 D C 0.904 177.144 176.300 -0.100 0.000 1.156 163 D CA 0.088 54.180 54.000 0.154 0.000 0.896 163 D CB 0.421 41.324 40.800 0.171 0.000 1.028 163 D HN 0.171 nan 8.370 nan 0.000 0.509 164 K N 2.639 122.918 120.400 -0.202 0.000 2.437 164 K HA 0.189 4.509 4.320 0.000 0.000 0.205 164 K C 1.517 177.821 176.600 -0.494 0.000 1.026 164 K CA -0.260 55.809 56.287 -0.364 0.000 1.153 164 K CB 0.899 33.223 32.500 -0.294 0.000 0.863 164 K HN 0.188 nan 8.250 nan 0.000 0.502 165 R N 0.030 120.071 120.500 -0.766 0.000 2.189 165 R HA -0.092 4.248 4.340 0.000 0.000 0.223 165 R C 0.502 176.326 176.300 -0.793 0.000 1.092 165 R CA 1.241 56.843 56.100 -0.830 0.000 0.989 165 R CB 0.048 29.718 30.300 -1.051 0.000 0.876 165 R HN 0.293 nan 8.270 nan 0.000 0.457 166 Y N -2.838 117.262 120.300 -0.334 0.000 2.696 166 Y HA 0.210 4.760 4.550 0.000 0.000 0.260 166 Y C 1.627 177.334 175.900 -0.322 0.000 1.165 166 Y CA -1.235 56.653 58.100 -0.354 0.000 1.189 166 Y CB -0.785 37.303 38.460 -0.619 0.000 1.180 166 Y HN -0.075 nan 8.280 nan 0.000 0.538 167 c N 0.903 119.341 118.600 -0.269 0.000 2.363 167 c HA -0.295 4.275 4.570 0.000 0.000 0.274 167 c C 1.356 175.340 174.090 -0.175 0.000 1.183 167 c CA 2.088 58.266 56.329 -0.251 0.000 1.771 167 c CB -0.813 41.513 42.510 -0.307 0.000 2.059 167 c HN 0.733 nan 8.230 nan 0.000 0.455 168 E N -0.776 119.329 120.200 -0.159 0.000 2.271 168 E HA -0.215 4.135 4.350 0.000 0.000 0.223 168 E C 0.038 176.535 176.600 -0.170 0.000 1.223 168 E CA 0.042 56.356 56.400 -0.143 0.000 0.704 168 E CB -1.412 28.267 29.700 -0.035 0.000 1.194 168 E HN 0.774 nan 8.360 nan 0.000 0.375 169 A N 0.284 122.969 122.820 -0.224 0.000 2.520 169 A HA 0.445 4.765 4.320 0.000 0.000 0.245 169 A C 1.626 179.081 177.584 -0.214 0.000 1.072 169 A CA 0.964 52.863 52.037 -0.229 0.000 0.761 169 A CB 0.321 19.134 19.000 -0.312 0.000 1.004 169 A HN 1.081 nan 8.150 nan 0.000 0.499 170 G N 1.226 109.928 108.800 -0.163 0.000 2.176 170 G HA2 -0.293 3.667 3.960 0.000 0.000 0.232 170 G HA3 -0.293 3.667 3.960 0.000 0.000 0.232 170 G C 0.797 175.590 174.900 -0.180 0.000 0.986 170 G CA 0.683 45.683 45.100 -0.166 0.000 0.643 170 G HN 1.124 nan 8.290 nan 0.000 0.522 171 F N 2.777 122.536 119.950 -0.319 0.000 2.063 171 F HA -0.007 4.520 4.527 0.000 0.000 0.298 171 F C 1.826 177.473 175.800 -0.256 0.000 1.105 171 F CA 2.652 60.448 58.000 -0.340 0.000 1.215 171 F CB -0.064 38.750 39.000 -0.310 0.000 0.972 171 F HN 0.547 nan 8.300 nan 0.000 0.483 172 S N -0.993 114.727 115.700 0.032 0.000 2.600 172 S HA 0.702 5.172 4.470 0.000 0.000 0.300 172 S C -0.576 173.980 174.600 -0.074 0.000 1.087 172 S CA -0.143 58.026 58.200 -0.051 0.000 0.965 172 S CB 1.921 65.118 63.200 -0.005 0.000 1.089 172 S HN 0.447 nan 8.310 nan 0.000 0.496 173 S N -0.214 115.440 115.700 -0.078 0.000 2.541 173 S HA 0.837 5.307 4.470 0.000 0.000 0.271 173 S C -1.186 173.383 174.600 -0.052 0.000 1.133 173 S CA -0.773 57.385 58.200 -0.070 0.000 0.876 173 S CB 1.322 64.482 63.200 -0.066 0.000 1.105 173 S HN 1.846 nan 8.310 nan 0.000 0.470 174 V N 1.440 121.325 119.914 -0.049 0.000 3.077 174 V HA 0.712 4.832 4.120 0.000 0.000 0.299 174 V C -1.763 174.308 176.094 -0.038 0.000 1.276 174 V CA -0.486 61.799 62.300 -0.026 0.000 0.993 174 V CB 2.029 33.841 31.823 -0.019 0.000 1.076 174 V HN 1.086 nan 8.190 nan 0.000 0.434 175 V N 4.594 124.496 119.914 -0.021 0.000 2.513 175 V HA 0.615 4.735 4.120 0.000 0.000 0.299 175 V C 0.597 176.643 176.094 -0.079 0.000 1.035 175 V CA 0.065 62.304 62.300 -0.102 0.000 0.889 175 V CB 1.970 33.715 31.823 -0.129 0.000 0.988 175 V HN 1.109 nan 8.190 nan 0.000 0.440 176 T N 0.786 115.256 114.554 -0.140 0.000 2.788 176 T HA 0.117 4.467 4.350 0.000 0.000 0.287 176 T C 0.952 175.619 174.700 -0.054 0.000 1.007 176 T CA 0.077 62.136 62.100 -0.067 0.000 1.005 176 T CB 0.939 69.771 68.868 -0.060 0.000 1.012 176 T HN 0.695 nan 8.240 nan 0.000 0.530 177 Q N 0.183 120.019 119.800 0.060 0.000 2.226 177 Q HA -0.049 4.291 4.340 0.000 0.000 0.204 177 Q C 2.138 178.283 176.000 0.242 0.000 0.975 177 Q CA 1.269 57.187 55.803 0.192 0.000 0.866 177 Q CB -0.597 28.218 28.738 0.129 0.000 0.915 177 Q HN 0.906 nan 8.270 nan 0.000 0.440 178 A N -0.437 122.418 122.820 0.059 0.000 2.238 178 A HA 0.281 4.601 4.320 0.000 0.000 0.208 178 A C 1.187 178.690 177.584 -0.134 0.000 1.177 178 A CA 0.750 52.813 52.037 0.043 0.000 0.804 178 A CB -0.243 18.748 19.000 -0.015 0.000 0.823 178 A HN 0.536 nan 8.150 nan 0.000 0.482 179 G N -0.235 108.205 108.800 -0.600 0.000 2.203 179 G HA2 -0.172 3.788 3.960 0.000 0.000 0.231 179 G HA3 -0.172 3.788 3.960 0.000 0.000 0.231 179 G C -0.459 173.929 174.900 -0.854 0.000 1.058 179 G CA 0.101 44.226 45.100 -1.626 0.000 0.781 179 G HN 0.590 nan 8.290 nan 0.000 0.496 180 E N -0.466 119.419 120.200 -0.526 0.000 2.134 180 E HA 0.538 4.888 4.350 0.000 0.000 0.278 180 E C 0.079 176.509 176.600 -0.284 0.000 0.959 180 E CA -0.940 55.269 56.400 -0.318 0.000 0.783 180 E CB 1.920 31.520 29.700 -0.166 0.000 1.095 180 E HN 0.237 nan 8.360 nan 0.000 0.399 181 L N 4.395 125.455 121.223 -0.272 0.000 2.319 181 L HA 0.242 4.582 4.340 0.000 0.000 0.280 181 L C -1.141 175.639 176.870 -0.150 0.000 1.099 181 L CA -0.237 54.480 54.840 -0.205 0.000 0.828 181 L CB 0.934 42.862 42.059 -0.219 0.000 1.150 181 L HN 0.303 nan 8.230 nan 0.000 0.442 182 V N 7.001 126.843 119.914 -0.120 0.000 2.409 182 V HA 0.432 4.553 4.120 0.000 0.000 0.291 182 V C -0.138 175.888 176.094 -0.114 0.000 1.020 182 V CA -0.569 61.647 62.300 -0.139 0.000 0.848 182 V CB 1.502 33.206 31.823 -0.198 0.000 0.990 182 V HN 0.585 nan 8.190 nan 0.000 0.430 183 L N 4.200 125.364 121.223 -0.099 0.000 2.313 183 L HA 0.685 5.025 4.340 0.000 0.000 0.283 183 L C 0.856 177.653 176.870 -0.121 0.000 1.013 183 L CA -0.521 54.262 54.840 -0.095 0.000 0.816 183 L CB 1.789 43.804 42.059 -0.074 0.000 1.236 183 L HN 0.744 nan 8.230 nan 0.000 0.419 184 G N 2.058 110.792 108.800 -0.110 0.000 2.364 184 G HA2 0.492 4.452 3.960 0.000 0.000 0.267 184 G HA3 0.492 4.452 3.960 0.000 0.000 0.267 184 G C -0.180 174.668 174.900 -0.087 0.000 1.233 184 G CA -0.192 44.844 45.100 -0.107 0.000 0.885 184 G HN 0.727 nan 8.290 nan 0.000 0.490 185 A N 4.905 127.666 122.820 -0.098 0.000 2.842 185 A HA 0.655 4.975 4.320 0.000 0.000 0.339 185 A C -1.513 176.018 177.584 -0.089 0.000 1.177 185 A CA -1.272 50.689 52.037 -0.126 0.000 0.797 185 A CB 1.474 20.365 19.000 -0.181 0.000 1.094 185 A HN 0.420 nan 8.150 nan 0.000 0.474 186 P HA -0.088 nan 4.420 nan 0.000 0.222 186 P C 1.380 178.749 177.300 0.116 0.000 1.147 186 P CA 1.783 64.854 63.100 -0.048 0.000 0.790 186 P CB 0.288 31.732 31.700 -0.426 0.000 0.780 187 G N -0.749 108.048 108.800 -0.006 0.000 3.141 187 G HA2 0.203 4.163 3.960 0.000 0.000 0.218 187 G HA3 0.203 4.163 3.960 0.000 0.000 0.218 187 G C 0.760 175.555 174.900 -0.175 0.000 1.170 187 G CA -0.008 45.091 45.100 -0.001 0.000 0.769 187 G HN 0.377 nan 8.290 nan 0.000 0.546 188 G N -0.738 107.981 108.800 -0.137 0.000 2.491 188 G HA2 0.327 4.287 3.960 0.000 0.000 0.242 188 G HA3 0.327 4.287 3.960 0.000 0.000 0.242 188 G C 0.015 174.819 174.900 -0.161 0.000 1.266 188 G CA -0.450 44.466 45.100 -0.305 0.000 0.844 188 G HN 0.388 nan 8.290 nan 0.000 0.571 189 Y N -0.903 119.384 120.300 -0.021 0.000 3.078 189 Y HA -0.233 4.317 4.550 0.000 0.000 0.202 189 Y C 0.693 176.652 175.900 0.099 0.000 1.322 189 Y CA 0.775 58.900 58.100 0.042 0.000 1.118 189 Y CB -2.848 35.631 38.460 0.032 0.000 1.343 189 Y HN 0.861 nan 8.280 nan 0.000 0.499 190 Y N -1.184 119.123 120.300 0.013 0.000 3.125 190 Y HA -0.227 4.323 4.550 0.000 0.000 0.200 190 Y C 0.725 176.598 175.900 -0.045 0.000 1.373 190 Y CA 0.988 59.017 58.100 -0.119 0.000 1.180 190 Y CB -1.756 36.677 38.460 -0.046 0.000 1.381 190 Y HN 0.461 nan 8.280 nan 0.000 0.501 191 F N -3.770 116.268 119.950 0.146 0.000 2.746 191 F HA -0.401 4.126 4.527 0.000 0.000 0.315 191 F C 1.198 177.107 175.800 0.182 0.000 0.666 191 F CA 0.657 58.759 58.000 0.169 0.000 1.381 191 F CB -2.010 37.060 39.000 0.116 0.000 1.739 191 F HN 0.224 nan 8.300 nan 0.000 0.322 192 L N 0.080 121.482 121.223 0.299 0.000 2.027 192 L HA 0.370 4.710 4.340 0.000 0.000 0.206 192 L C 1.618 178.715 176.870 0.378 0.000 1.074 192 L CA 2.069 57.096 54.840 0.311 0.000 0.745 192 L CB -0.834 41.393 42.059 0.280 0.000 0.898 192 L HN 0.568 nan 8.230 nan 0.000 0.433 193 G N -0.805 108.192 108.800 0.327 0.000 2.770 193 G HA2 0.250 4.210 3.960 0.000 0.000 0.686 193 G HA3 0.250 4.210 3.960 0.000 0.000 0.686 193 G C -1.388 173.752 174.900 0.400 0.000 1.180 193 G CA -0.456 44.862 45.100 0.363 0.000 0.767 193 G HN 0.407 nan 8.290 nan 0.000 0.646 194 L N -0.669 120.718 121.223 0.273 0.000 2.403 194 L HA 1.019 5.359 4.340 0.000 0.000 0.253 194 L C -0.922 176.053 176.870 0.175 0.000 1.045 194 L CA -1.570 53.423 54.840 0.256 0.000 0.845 194 L CB 1.603 43.564 42.059 -0.162 0.000 1.447 194 L HN 0.691 nan 8.230 nan 0.000 0.411 195 L N 1.563 122.861 121.223 0.125 0.000 2.329 195 L HA 0.924 5.264 4.340 0.000 0.000 0.279 195 L C -0.193 176.584 176.870 -0.155 0.000 1.014 195 L CA -0.259 54.534 54.840 -0.077 0.000 0.814 195 L CB 1.720 43.726 42.059 -0.088 0.000 1.257 195 L HN 0.990 nan 8.230 nan 0.000 0.424 196 A N 3.693 126.442 122.820 -0.119 0.000 2.318 196 A HA 0.716 5.036 4.320 0.000 0.000 0.317 196 A C -0.957 176.628 177.584 0.002 0.000 1.159 196 A CA -0.487 51.514 52.037 -0.061 0.000 0.799 196 A CB 1.233 20.176 19.000 -0.096 0.000 1.194 196 A HN 0.560 nan 8.150 nan 0.000 0.479 197 Q N 1.471 121.294 119.800 0.038 0.000 2.365 197 Q HA 0.759 5.099 4.340 0.000 0.000 0.269 197 Q C -1.329 174.640 176.000 -0.052 0.000 1.061 197 Q CA -0.466 55.325 55.803 -0.020 0.000 0.816 197 Q CB 2.087 30.817 28.738 -0.014 0.000 1.325 197 Q HN 1.337 nan 8.270 nan 0.000 0.446 198 A N 4.328 127.037 122.820 -0.185 0.000 2.577 198 A HA 0.610 4.930 4.320 0.000 0.000 0.297 198 A C -2.823 174.578 177.584 -0.304 0.000 1.060 198 A CA -1.150 50.718 52.037 -0.281 0.000 0.697 198 A CB 1.561 20.250 19.000 -0.519 0.000 1.281 198 A HN 0.544 nan 8.150 nan 0.000 0.402 199 P HA 0.200 nan 4.420 nan 0.000 0.267 199 P C 1.146 178.325 177.300 -0.202 0.000 1.205 199 P CA -0.013 62.962 63.100 -0.208 0.000 0.765 199 P CB 0.809 32.432 31.700 -0.128 0.000 0.828 200 V N 3.698 123.483 119.914 -0.216 0.000 2.380 200 V HA -0.326 3.794 4.120 0.000 0.000 0.251 200 V C 2.343 178.528 176.094 0.153 0.000 1.063 200 V CA 2.753 65.021 62.300 -0.054 0.000 1.055 200 V CB -1.467 30.343 31.823 -0.022 0.000 0.657 200 V HN 0.655 nan 8.190 nan 0.000 0.455 201 A N 0.010 122.890 122.820 0.100 0.000 1.902 201 A HA -0.260 4.060 4.320 0.000 0.000 0.217 201 A C 1.945 179.610 177.584 0.135 0.000 1.181 201 A CA 2.211 54.337 52.037 0.148 0.000 0.623 201 A CB -0.624 18.430 19.000 0.090 0.000 0.818 201 A HN 0.556 nan 8.150 nan 0.000 0.443 202 D N -0.288 120.140 120.400 0.046 0.000 2.183 202 D HA -0.022 4.618 4.640 0.000 0.000 0.203 202 D C 1.765 178.092 176.300 0.045 0.000 0.969 202 D CA 0.637 54.657 54.000 0.032 0.000 0.842 202 D CB -0.279 40.507 40.800 -0.023 0.000 0.957 202 D HN 0.516 nan 8.370 nan 0.000 0.484 203 I N -0.087 120.470 120.570 -0.021 0.000 2.163 203 I HA -0.281 3.889 4.170 0.000 0.000 0.243 203 I C 1.918 178.062 176.117 0.045 0.000 1.085 203 I CA 0.954 62.228 61.300 -0.043 0.000 1.347 203 I CB -0.194 37.651 38.000 -0.259 0.000 1.044 203 I HN -0.076 nan 8.210 nan 0.000 0.408 204 F N 1.059 121.037 119.950 0.047 0.000 2.134 204 F HA -0.253 4.274 4.527 0.000 0.000 0.299 204 F C 2.988 178.844 175.800 0.094 0.000 1.097 204 F CA 1.910 59.953 58.000 0.073 0.000 1.264 204 F CB -0.579 38.455 39.000 0.057 0.000 1.001 204 F HN 0.141 nan 8.300 nan 0.000 0.479 205 S N -1.147 114.703 115.700 0.251 0.000 2.428 205 S HA -0.124 4.346 4.470 0.000 0.000 0.230 205 S C 1.977 176.643 174.600 0.109 0.000 1.014 205 S CA 1.001 59.295 58.200 0.156 0.000 0.957 205 S CB -0.781 62.486 63.200 0.111 0.000 0.784 205 S HN 0.350 nan 8.310 nan 0.000 0.499 206 S N -0.598 115.178 115.700 0.127 0.000 2.503 206 S HA 0.174 4.644 4.470 0.000 0.000 0.217 206 S C 0.421 174.993 174.600 -0.046 0.000 0.999 206 S CA -0.675 57.586 58.200 0.101 0.000 0.914 206 S CB -0.860 62.468 63.200 0.213 0.000 0.782 206 S HN 0.615 nan 8.310 nan 0.000 0.520 207 Y N 3.824 124.024 120.300 -0.167 0.000 2.544 207 Y HA 0.387 4.937 4.550 0.000 0.000 0.330 207 Y C 0.114 175.773 175.900 -0.402 0.000 1.136 207 Y CA -0.478 57.346 58.100 -0.462 0.000 1.417 207 Y CB 0.407 38.700 38.460 -0.279 0.000 1.229 207 Y HN 0.052 nan 8.280 nan 0.000 0.532 208 R N 7.663 127.438 120.500 -1.208 0.000 2.439 208 R HA 0.315 4.655 4.340 0.000 0.000 0.310 208 R C -2.857 172.746 176.300 -1.162 0.000 0.955 208 R CA -2.203 53.360 56.100 -0.895 0.000 0.853 208 R CB 1.263 31.250 30.300 -0.523 0.000 1.171 208 R HN 0.574 nan 8.270 nan 0.000 0.449 209 P HA -0.001 nan 4.420 nan 0.000 0.262 209 P C 0.701 177.807 177.300 -0.324 0.000 1.182 209 P CA 0.847 63.638 63.100 -0.516 0.000 0.761 209 P CB 0.490 32.088 31.700 -0.170 0.000 0.795 210 G N 2.776 111.452 108.800 -0.208 0.000 2.147 210 G HA2 -0.237 3.723 3.960 0.000 0.000 0.244 210 G HA3 -0.237 3.723 3.960 0.000 0.000 0.244 210 G C 0.638 175.477 174.900 -0.102 0.000 1.005 210 G CA -0.211 44.828 45.100 -0.101 0.000 0.713 210 G HN 0.451 nan 8.290 nan 0.000 0.515 211 I N -0.718 119.750 120.570 -0.171 0.000 3.039 211 I HA 0.228 4.398 4.170 0.000 0.000 0.270 211 I C 2.528 178.707 176.117 0.104 0.000 1.150 211 I CA 1.635 62.884 61.300 -0.085 0.000 1.448 211 I CB -0.645 37.226 38.000 -0.216 0.000 1.197 211 I HN 0.420 nan 8.210 nan 0.000 0.450 212 L N -1.268 120.065 121.223 0.183 0.000 2.824 212 L HA -0.275 4.065 4.340 0.000 0.000 0.395 212 L C 0.294 177.451 176.870 0.477 0.000 1.064 212 L CA 0.897 55.974 54.840 0.396 0.000 3.242 212 L CB -1.251 41.047 42.059 0.400 0.000 0.821 212 L HN 0.211 nan 8.230 nan 0.000 0.792 213 L N 0.866 122.341 121.223 0.420 0.000 2.316 213 L HA 0.575 4.915 4.340 0.000 0.000 0.280 213 L C -0.671 176.426 176.870 0.378 0.000 1.006 213 L CA 0.056 55.053 54.840 0.262 0.000 0.836 213 L CB 1.141 43.338 42.059 0.231 0.000 1.221 213 L HN 0.248 nan 8.230 nan 0.000 0.418 214 W N 3.927 125.212 121.300 -0.026 0.000 3.146 214 W HA 0.465 5.125 4.660 0.000 0.000 0.319 214 W C -1.767 174.787 176.519 0.058 0.000 1.258 214 W CA -0.820 56.536 57.345 0.018 0.000 1.189 214 W CB 0.580 30.044 29.460 0.006 0.000 1.412 214 W HN 0.600 nan 8.180 nan 0.000 0.567 215 H N 2.135 121.198 119.070 -0.012 0.000 2.551 215 H HA 0.468 5.024 4.556 0.000 0.000 0.321 215 H C -1.005 174.338 175.328 0.026 0.000 1.028 215 H CA -0.660 55.323 56.048 -0.108 0.000 1.215 215 H CB 1.833 31.567 29.762 -0.047 0.000 1.414 215 H HN 0.430 nan 8.280 nan 0.000 0.480 216 V N 6.047 125.743 119.914 -0.364 0.000 2.415 216 V HA -0.104 4.016 4.120 0.000 0.000 0.267 216 V C 1.713 177.520 176.094 -0.478 0.000 1.042 216 V CA 0.610 62.776 62.300 -0.222 0.000 1.000 216 V CB 0.670 32.438 31.823 -0.092 0.000 1.015 216 V HN 0.923 nan 8.190 nan 0.000 0.478 217 S N 3.809 119.358 115.700 -0.252 0.000 2.387 217 S HA -0.179 4.291 4.470 0.000 0.000 0.230 217 S C 1.653 176.179 174.600 -0.122 0.000 1.035 217 S CA 1.486 59.588 58.200 -0.163 0.000 1.014 217 S CB -0.375 62.824 63.200 -0.002 0.000 0.836 217 S HN 0.967 nan 8.310 nan 0.000 0.466 218 S N 1.374 117.012 115.700 -0.103 0.000 2.614 218 S HA 0.193 4.663 4.470 0.000 0.000 0.230 218 S C 0.518 175.078 174.600 -0.067 0.000 0.952 218 S CA -0.649 57.517 58.200 -0.056 0.000 0.949 218 S CB -0.577 62.597 63.200 -0.043 0.000 0.786 218 S HN 0.836 nan 8.310 nan 0.000 0.478 219 Q N 0.675 120.410 119.800 -0.109 0.000 2.396 219 Q HA 0.602 4.942 4.340 0.000 0.000 0.221 219 Q C -0.611 175.403 176.000 0.022 0.000 1.025 219 Q CA -0.638 55.132 55.803 -0.056 0.000 0.946 219 Q CB 0.695 29.406 28.738 -0.045 0.000 1.224 219 Q HN 0.146 nan 8.270 nan 0.000 0.539 220 S N 0.965 116.705 115.700 0.067 0.000 2.689 220 S HA 0.463 4.933 4.470 0.000 0.000 0.274 220 S C -1.752 172.939 174.600 0.152 0.000 1.176 220 S CA -0.691 57.600 58.200 0.151 0.000 1.014 220 S CB 0.715 64.033 63.200 0.197 0.000 1.071 220 S HN 0.493 nan 8.310 nan 0.000 0.478 221 L N 3.902 125.126 121.223 0.002 0.000 2.331 221 L HA 0.643 4.983 4.340 0.000 0.000 0.275 221 L C 0.953 177.422 176.870 -0.669 0.000 1.022 221 L CA -0.102 54.597 54.840 -0.234 0.000 0.812 221 L CB 1.812 43.773 42.059 -0.163 0.000 1.257 221 L HN 0.800 nan 8.230 nan 0.000 0.435 222 S N 0.891 116.011 115.700 -0.966 0.000 2.640 222 S HA 0.585 5.055 4.470 0.000 0.000 0.262 222 S C -0.202 173.999 174.600 -0.665 0.000 1.232 222 S CA -0.374 57.124 58.200 -1.170 0.000 0.988 222 S CB 0.304 63.067 63.200 -0.729 0.000 1.034 222 S HN 0.202 nan 8.310 nan 0.000 0.569 223 F N -0.186 119.667 119.950 -0.161 0.000 2.523 223 F HA 0.468 4.995 4.527 0.000 0.000 0.329 223 F C 0.843 176.361 175.800 -0.471 0.000 1.061 223 F CA -0.989 56.888 58.000 -0.206 0.000 0.967 223 F CB 0.985 39.883 39.000 -0.170 0.000 1.218 223 F HN 0.517 nan 8.300 nan 0.000 0.480 224 D N 0.308 120.350 120.400 -0.597 0.000 2.377 224 D HA 0.358 4.998 4.640 0.000 0.000 0.245 224 D C -0.816 175.282 176.300 -0.337 0.000 1.196 224 D CA 0.326 53.889 54.000 -0.728 0.000 0.962 224 D CB 1.550 41.865 40.800 -0.808 0.000 1.127 224 D HN 0.433 nan 8.370 nan 0.000 0.471 225 S N -1.049 114.499 115.700 -0.253 0.000 2.537 225 S HA 0.315 4.785 4.470 0.000 0.000 0.270 225 S C 0.060 174.665 174.600 0.009 0.000 1.142 225 S CA -0.337 57.759 58.200 -0.173 0.000 0.870 225 S CB 0.989 63.992 63.200 -0.329 0.000 1.112 225 S HN 0.339 nan 8.310 nan 0.000 0.466 226 S N 2.491 118.211 115.700 0.033 0.000 2.577 226 S HA 0.190 4.660 4.470 0.000 0.000 0.219 226 S C 0.330 175.025 174.600 0.158 0.000 0.962 226 S CA -0.296 58.004 58.200 0.167 0.000 0.921 226 S CB -0.446 62.788 63.200 0.057 0.000 0.789 226 S HN 0.621 nan 8.310 nan 0.000 0.497 227 N N 3.435 122.170 118.700 0.058 0.000 2.431 227 N HA 0.256 4.996 4.740 0.000 0.000 0.265 227 N C -1.991 173.223 175.510 -0.493 0.000 1.184 227 N CA -2.048 50.954 53.050 -0.080 0.000 0.943 227 N CB 1.163 39.711 38.487 0.101 0.000 1.080 227 N HN -0.016 nan 8.380 nan 0.000 0.477 228 P HA -0.128 nan 4.420 nan 0.000 0.219 228 P C 0.626 177.111 177.300 -1.358 0.000 1.146 228 P CA 1.183 63.231 63.100 -1.753 0.000 0.808 228 P CB 0.288 31.517 31.700 -0.785 0.000 0.779 229 E N -1.496 118.172 120.200 -0.886 0.000 2.147 229 E HA -0.227 4.123 4.350 0.000 0.000 0.199 229 E C 1.419 177.302 176.600 -1.195 0.000 1.005 229 E CA 1.256 56.981 56.400 -1.126 0.000 0.810 229 E CB -0.554 28.629 29.700 -0.861 0.000 0.736 229 E HN 0.432 nan 8.360 nan 0.000 0.460 230 Y N -0.586 119.403 120.300 -0.520 0.000 2.544 230 Y HA 0.061 4.611 4.550 0.000 0.000 0.286 230 Y C 0.544 176.458 175.900 0.024 0.000 1.141 230 Y CA -0.057 57.987 58.100 -0.095 0.000 1.299 230 Y CB 0.115 38.645 38.460 0.117 0.000 1.030 230 Y HN -0.096 nan 8.280 nan 0.000 0.543 231 F N 2.239 122.036 119.950 -0.255 0.000 2.578 231 F HA -0.053 4.474 4.527 0.000 0.000 0.381 231 F C 0.504 176.135 175.800 -0.282 0.000 1.069 231 F CA -0.257 57.617 58.000 -0.211 0.000 1.231 231 F CB 0.357 39.194 39.000 -0.272 0.000 1.086 231 F HN 0.263 nan 8.300 nan 0.000 0.564 232 D N 2.129 122.531 120.400 0.004 0.000 2.837 232 D HA -0.171 4.469 4.640 0.000 0.000 0.230 232 D C 1.163 177.137 176.300 -0.544 0.000 1.152 232 D CA 0.888 54.729 54.000 -0.265 0.000 0.736 232 D CB -1.421 39.219 40.800 -0.266 0.000 1.084 232 D HN 0.856 nan 8.370 nan 0.000 0.429 233 G N -0.643 108.027 108.800 -0.217 0.000 2.777 233 G HA2 -0.032 3.928 3.960 0.000 0.000 0.211 233 G HA3 -0.032 3.928 3.960 0.000 0.000 0.211 233 G C 0.471 175.413 174.900 0.070 0.000 1.149 233 G CA -0.067 44.989 45.100 -0.074 0.000 0.785 233 G HN 0.313 nan 8.290 nan 0.000 0.536 234 Y N -2.459 117.993 120.300 0.253 0.000 3.305 234 Y HA -0.169 4.381 4.550 0.000 0.000 0.212 234 Y C 0.574 176.632 175.900 0.264 0.000 1.248 234 Y CA -0.611 57.627 58.100 0.230 0.000 1.359 234 Y CB -2.580 36.010 38.460 0.218 0.000 1.407 234 Y HN 0.447 nan 8.280 nan 0.000 0.572 235 W N 1.772 123.224 121.300 0.254 0.000 2.607 235 W HA 0.371 5.031 4.660 0.000 0.000 0.336 235 W C 1.197 177.790 176.519 0.123 0.000 1.439 235 W CA 2.069 59.529 57.345 0.192 0.000 1.346 235 W CB 0.129 29.736 29.460 0.245 0.000 1.425 235 W HN 0.661 nan 8.180 nan 0.000 0.565 236 G N 3.902 112.601 108.800 -0.169 0.000 2.192 236 G HA2 -0.408 3.552 3.960 0.000 0.000 0.193 236 G HA3 -0.408 3.552 3.960 0.000 0.000 0.193 236 G C 0.545 175.423 174.900 -0.037 0.000 0.999 236 G CA 0.055 45.038 45.100 -0.195 0.000 0.659 236 G HN 0.637 nan 8.290 nan 0.000 0.503 237 Y N 2.251 122.499 120.300 -0.087 0.000 2.193 237 Y HA 0.103 4.653 4.550 0.000 0.000 0.285 237 Y C 1.749 177.716 175.900 0.113 0.000 1.166 237 Y CA 2.518 60.620 58.100 0.003 0.000 1.181 237 Y CB 0.168 38.667 38.460 0.064 0.000 0.976 237 Y HN 0.727 nan 8.280 nan 0.000 0.520 238 S N -1.283 114.514 115.700 0.161 0.000 2.569 238 S HA 0.659 5.129 4.470 0.000 0.000 0.280 238 S C -1.356 173.193 174.600 -0.085 0.000 1.111 238 S CA -0.657 57.560 58.200 0.029 0.000 0.887 238 S CB 1.998 65.206 63.200 0.013 0.000 1.095 238 S HN 0.038 nan 8.310 nan 0.000 0.476 239 V N 0.277 120.136 119.914 -0.092 0.000 3.012 239 V HA 0.936 5.056 4.120 0.000 0.000 0.307 239 V C -0.922 175.127 176.094 -0.074 0.000 1.166 239 V CA 0.145 62.372 62.300 -0.122 0.000 0.974 239 V CB 1.747 33.484 31.823 -0.143 0.000 1.040 239 V HN 1.795 nan 8.190 nan 0.000 0.428 240 A N 4.094 126.883 122.820 -0.051 0.000 2.609 240 A HA 0.959 5.279 4.320 0.000 0.000 0.291 240 A C -1.073 176.542 177.584 0.053 0.000 1.096 240 A CA 0.000 52.033 52.037 -0.007 0.000 0.684 240 A CB 1.920 20.913 19.000 -0.012 0.000 1.282 240 A HN 2.004 nan 8.150 nan 0.000 0.412 241 V N -1.976 117.974 119.914 0.061 0.000 3.046 241 V HA 1.076 5.196 4.120 0.000 0.000 0.316 241 V C 0.191 176.313 176.094 0.046 0.000 1.104 241 V CA 0.023 62.381 62.300 0.097 0.000 1.006 241 V CB 1.279 33.158 31.823 0.093 0.000 1.058 241 V HN 2.410 nan 8.190 nan 0.000 0.440 242 G N 0.781 109.628 108.800 0.079 0.000 2.380 242 G HA2 0.521 4.481 3.960 0.000 0.000 0.299 242 G HA3 0.521 4.481 3.960 0.000 0.000 0.299 242 G C -1.982 172.945 174.900 0.046 0.000 1.321 242 G CA -0.440 44.623 45.100 -0.062 0.000 0.823 242 G HN 1.057 nan 8.290 nan 0.000 0.496 243 E N -0.411 119.770 120.200 -0.032 0.000 2.114 243 E HA 0.711 5.061 4.350 0.000 0.000 0.266 243 E C -1.004 175.401 176.600 -0.325 0.000 0.896 243 E CA -0.743 55.622 56.400 -0.057 0.000 0.750 243 E CB 0.750 30.441 29.700 -0.015 0.000 1.121 243 E HN 0.276 nan 8.360 nan 0.000 0.413 244 F N 2.226 122.202 119.950 0.044 0.000 2.838 244 F HA 0.189 4.716 4.527 0.000 0.000 0.329 244 F C 0.542 176.350 175.800 0.013 0.000 1.116 244 F CA -0.293 57.728 58.000 0.035 0.000 1.155 244 F CB 1.035 40.051 39.000 0.028 0.000 1.106 244 F HN 0.442 nan 8.300 nan 0.000 0.538 245 D N -1.072 119.402 120.400 0.124 0.000 2.563 245 D HA 0.187 4.827 4.640 0.000 0.000 0.237 245 D C 1.406 177.725 176.300 0.032 0.000 1.282 245 D CA 0.298 54.343 54.000 0.074 0.000 0.816 245 D CB 0.049 40.883 40.800 0.057 0.000 1.066 245 D HN 0.170 nan 8.370 nan 0.000 0.501 246 G N 1.154 109.963 108.800 0.014 0.000 2.258 246 G HA2 -0.272 3.688 3.960 0.000 0.000 0.274 246 G HA3 -0.272 3.688 3.960 0.000 0.000 0.274 246 G C -0.409 174.485 174.900 -0.010 0.000 1.021 246 G CA 0.526 45.623 45.100 -0.005 0.000 0.798 246 G HN 0.581 nan 8.290 nan 0.000 0.507 247 D N -0.544 119.849 120.400 -0.013 0.000 2.421 247 D HA 0.402 5.042 4.640 0.000 0.000 0.254 247 D C 1.504 177.788 176.300 -0.027 0.000 1.238 247 D CA -0.739 53.251 54.000 -0.017 0.000 0.919 247 D CB 0.490 41.283 40.800 -0.011 0.000 1.152 247 D HN 0.039 nan 8.370 nan 0.000 0.552 248 L N 2.824 124.029 121.223 -0.029 0.000 2.376 248 L HA 0.028 4.368 4.340 0.000 0.000 0.219 248 L C 1.775 178.626 176.870 -0.031 0.000 1.133 248 L CA 0.343 55.164 54.840 -0.032 0.000 0.816 248 L CB -0.226 41.813 42.059 -0.032 0.000 0.933 248 L HN 0.273 nan 8.230 nan 0.000 0.449 249 N N -0.157 118.525 118.700 -0.030 0.000 2.457 249 N HA -0.071 4.669 4.740 0.000 0.000 0.180 249 N C 0.610 176.088 175.510 -0.054 0.000 1.050 249 N CA 0.731 53.761 53.050 -0.033 0.000 0.906 249 N CB 0.288 38.761 38.487 -0.023 0.000 0.968 249 N HN 0.334 nan 8.380 nan 0.000 0.445 250 T N -3.160 111.354 114.554 -0.067 0.000 2.885 250 T HA 0.544 4.894 4.350 0.000 0.000 0.285 250 T C -0.221 174.402 174.700 -0.127 0.000 1.019 250 T CA -0.813 61.219 62.100 -0.113 0.000 1.010 250 T CB 1.823 70.623 68.868 -0.114 0.000 1.022 250 T HN -0.162 nan 8.240 nan 0.000 0.466 251 T N 2.572 117.004 114.554 -0.205 0.000 2.895 251 T HA 0.608 4.958 4.350 0.000 0.000 0.283 251 T C -0.608 173.866 174.700 -0.376 0.000 1.014 251 T CA -0.634 61.327 62.100 -0.232 0.000 1.037 251 T CB 1.411 70.137 68.868 -0.236 0.000 1.006 251 T HN 0.691 nan 8.240 nan 0.000 0.468 252 E N 0.814 120.867 120.200 -0.245 0.000 2.227 252 E HA 0.519 4.869 4.350 0.000 0.000 0.268 252 E C -1.315 175.172 176.600 -0.188 0.000 0.907 252 E CA -0.597 55.669 56.400 -0.223 0.000 0.786 252 E CB 0.985 30.741 29.700 0.093 0.000 1.191 252 E HN 0.461 nan 8.360 nan 0.000 0.411 253 Y N 0.301 120.614 120.300 0.021 0.000 2.360 253 Y HA 0.493 5.043 4.550 0.000 0.000 0.337 253 Y C -0.202 175.664 175.900 -0.057 0.000 1.039 253 Y CA -1.146 56.950 58.100 -0.006 0.000 1.109 253 Y CB 1.207 39.682 38.460 0.025 0.000 1.201 253 Y HN 0.164 nan 8.280 nan 0.000 0.458 254 V N 4.629 124.585 119.914 0.070 0.000 2.357 254 V HA 0.512 4.632 4.120 0.000 0.000 0.284 254 V C -0.576 175.432 176.094 -0.143 0.000 1.018 254 V CA -0.798 61.451 62.300 -0.084 0.000 0.841 254 V CB 1.315 33.076 31.823 -0.104 0.000 0.991 254 V HN 0.536 nan 8.190 nan 0.000 0.437 255 V N 3.561 123.335 119.914 -0.233 0.000 2.604 255 V HA 0.760 4.880 4.120 0.000 0.000 0.305 255 V C 0.622 176.491 176.094 -0.374 0.000 1.043 255 V CA -0.480 61.560 62.300 -0.434 0.000 0.888 255 V CB 2.090 33.367 31.823 -0.911 0.000 0.995 255 V HN 0.900 nan 8.190 nan 0.000 0.429 256 G N 2.484 111.100 108.800 -0.306 0.000 2.332 256 G HA2 0.611 4.571 3.960 0.000 0.000 0.310 256 G HA3 0.611 4.571 3.960 0.000 0.000 0.310 256 G C -0.201 174.626 174.900 -0.122 0.000 1.123 256 G CA -0.137 44.852 45.100 -0.185 0.000 0.873 256 G HN 1.152 nan 8.290 nan 0.000 0.460 257 A N 4.761 127.559 122.820 -0.037 0.000 3.105 257 A HA 0.637 4.957 4.320 0.000 0.000 0.336 257 A C -1.343 176.282 177.584 0.068 0.000 1.042 257 A CA -1.185 50.924 52.037 0.120 0.000 0.851 257 A CB 1.279 20.457 19.000 0.298 0.000 1.068 257 A HN 0.447 nan 8.150 nan 0.000 0.477 258 P HA -0.117 nan 4.420 nan 0.000 0.225 258 P C 1.022 178.090 177.300 -0.386 0.000 1.148 258 P CA 1.794 64.674 63.100 -0.367 0.000 0.779 258 P CB -0.030 31.100 31.700 -0.951 0.000 0.780 259 T N -7.109 107.312 114.554 -0.223 0.000 3.174 259 T HA 0.134 4.484 4.350 0.000 0.000 0.269 259 T C 0.013 174.667 174.700 -0.077 0.000 1.017 259 T CA -0.817 61.183 62.100 -0.168 0.000 0.899 259 T CB -0.888 67.845 68.868 -0.226 0.000 1.077 259 T HN -0.046 nan 8.240 nan 0.000 0.552 260 W N 2.448 123.652 121.300 -0.160 0.000 2.209 260 W HA 0.383 5.043 4.660 0.000 0.000 0.344 260 W C 0.741 177.148 176.519 -0.187 0.000 1.285 260 W CA 1.078 58.310 57.345 -0.187 0.000 1.267 260 W CB 0.280 29.650 29.460 -0.151 0.000 1.167 260 W HN 0.317 nan 8.180 nan 0.000 0.574 261 S N 6.403 121.387 115.700 -1.193 0.000 3.310 261 S HA -0.245 4.225 4.470 0.000 0.000 0.381 261 S C 0.003 174.490 174.600 -0.188 0.000 0.908 261 S CA 0.802 58.421 58.200 -0.968 0.000 1.333 261 S CB -1.443 61.091 63.200 -1.111 0.000 0.931 261 S HN 0.914 nan 8.310 nan 0.000 0.570 262 W N 0.582 121.693 121.300 -0.315 0.000 6.486 262 W HA -0.337 4.323 4.660 0.000 0.000 0.411 262 W C 1.294 177.747 176.519 -0.110 0.000 1.595 262 W CA 1.433 58.671 57.345 -0.177 0.000 1.075 262 W CB -3.071 26.291 29.460 -0.163 0.000 2.798 262 W HN 1.764 nan 8.180 nan 0.000 1.534 263 T N -4.932 109.634 114.554 0.020 0.000 5.888 263 T HA -0.380 3.970 4.350 0.000 0.000 0.275 263 T C 0.800 175.553 174.700 0.088 0.000 2.123 263 T CA 1.322 63.451 62.100 0.050 0.000 3.523 263 T CB -1.647 67.278 68.868 0.096 0.000 1.240 263 T HN 0.310 nan 8.240 nan 0.000 1.133 264 L N 1.714 122.995 121.223 0.097 0.000 2.056 264 L HA 0.484 4.824 4.340 0.000 0.000 0.207 264 L C 1.580 178.539 176.870 0.149 0.000 1.078 264 L CA 2.821 57.734 54.840 0.121 0.000 0.749 264 L CB -0.824 41.314 42.059 0.132 0.000 0.901 264 L HN 1.636 nan 8.230 nan 0.000 0.433 265 G N -1.477 107.451 108.800 0.212 0.000 2.719 265 G HA2 0.366 4.326 3.960 0.000 0.000 0.686 265 G HA3 0.366 4.326 3.960 0.000 0.000 0.686 265 G C -0.700 174.383 174.900 0.304 0.000 1.201 265 G CA -0.345 44.907 45.100 0.253 0.000 0.768 265 G HN 1.045 nan 8.290 nan 0.000 0.629 266 A N 0.113 123.088 122.820 0.258 0.000 2.604 266 A HA 0.950 5.270 4.320 0.000 0.000 0.295 266 A C -0.753 176.842 177.584 0.018 0.000 1.067 266 A CA 0.005 52.057 52.037 0.025 0.000 0.683 266 A CB 2.046 20.661 19.000 -0.642 0.000 1.281 266 A HN 2.120 nan 8.150 nan 0.000 0.407 267 V N 1.390 121.299 119.914 -0.007 0.000 2.588 267 V HA 0.532 4.652 4.120 0.000 0.000 0.304 267 V C -0.368 175.614 176.094 -0.187 0.000 1.042 267 V CA -0.425 61.792 62.300 -0.139 0.000 0.877 267 V CB 1.748 33.452 31.823 -0.199 0.000 0.996 267 V HN 0.938 nan 8.190 nan 0.000 0.425 268 E N 4.079 124.194 120.200 -0.141 0.000 2.212 268 E HA 0.624 4.974 4.350 0.000 0.000 0.268 268 E C -1.288 175.270 176.600 -0.070 0.000 0.902 268 E CA -0.736 55.624 56.400 -0.068 0.000 0.779 268 E CB 2.976 32.763 29.700 0.144 0.000 1.172 268 E HN 0.511 nan 8.360 nan 0.000 0.409 269 I N 3.689 124.214 120.570 -0.074 0.000 2.378 269 I HA 0.333 4.503 4.170 0.000 0.000 0.291 269 I C -0.727 175.414 176.117 0.040 0.000 0.992 269 I CA -0.535 60.704 61.300 -0.102 0.000 1.154 269 I CB 0.715 38.544 38.000 -0.286 0.000 1.315 269 I HN 0.232 nan 8.210 nan 0.000 0.448 270 L N 4.997 126.286 121.223 0.111 0.000 2.333 270 L HA 0.527 4.867 4.340 0.000 0.000 0.263 270 L C -0.451 176.459 176.870 0.067 0.000 1.014 270 L CA -0.841 54.111 54.840 0.187 0.000 0.820 270 L CB 1.645 43.943 42.059 0.399 0.000 1.352 270 L HN 0.549 nan 8.230 nan 0.000 0.421 271 D N -1.189 119.237 120.400 0.042 0.000 2.506 271 D HA 0.176 4.816 4.640 0.000 0.000 0.272 271 D C 1.051 177.188 176.300 -0.273 0.000 1.214 271 D CA -0.122 53.806 54.000 -0.118 0.000 1.067 271 D CB 0.579 41.359 40.800 -0.034 0.000 1.117 271 D HN 0.510 nan 8.370 nan 0.000 0.578 272 S N -1.359 114.056 115.700 -0.475 0.000 2.419 272 S HA -0.222 4.248 4.470 0.000 0.000 0.235 272 S C 1.403 175.668 174.600 -0.559 0.000 1.019 272 S CA 0.690 58.526 58.200 -0.606 0.000 0.982 272 S CB -1.012 61.777 63.200 -0.684 0.000 0.789 272 S HN 0.577 nan 8.310 nan 0.000 0.490 273 Y N 0.099 120.333 120.300 -0.111 0.000 2.470 273 Y HA 0.287 4.837 4.550 0.000 0.000 0.284 273 Y C -0.027 176.018 175.900 0.242 0.000 1.188 273 Y CA -0.674 57.448 58.100 0.038 0.000 1.269 273 Y CB -0.583 37.934 38.460 0.095 0.000 1.094 273 Y HN 0.118 nan 8.280 nan 0.000 0.518 274 Y N -1.469 119.057 120.300 0.377 0.000 4.604 274 Y HA -0.305 4.245 4.550 0.000 0.000 0.230 274 Y C 0.241 176.352 175.900 0.352 0.000 1.066 274 Y CA -0.178 58.159 58.100 0.396 0.000 1.990 274 Y CB -2.205 36.477 38.460 0.370 0.000 1.619 274 Y HN 0.234 nan 8.280 nan 0.000 0.649 275 Q N 1.538 121.566 119.800 0.381 0.000 2.286 275 Q HA 0.317 4.657 4.340 0.000 0.000 0.257 275 Q C 0.609 176.738 176.000 0.214 0.000 0.941 275 Q CA -0.354 55.602 55.803 0.257 0.000 0.912 275 Q CB 0.904 29.760 28.738 0.197 0.000 1.192 275 Q HN 0.575 nan 8.270 nan 0.000 0.410 276 R N 1.864 122.474 120.500 0.183 0.000 2.340 276 R HA 0.281 4.621 4.340 0.000 0.000 0.300 276 R C 0.391 176.761 176.300 0.117 0.000 1.069 276 R CA -0.311 55.885 56.100 0.162 0.000 0.984 276 R CB 0.570 30.961 30.300 0.151 0.000 1.003 276 R HN 0.533 nan 8.270 nan 0.000 0.459 277 L N 0.499 121.785 121.223 0.105 0.000 2.221 277 L HA 0.220 4.560 4.340 0.000 0.000 0.202 277 L C 0.472 177.434 176.870 0.153 0.000 1.074 277 L CA 0.499 55.401 54.840 0.103 0.000 0.795 277 L CB -0.105 42.003 42.059 0.083 0.000 0.960 277 L HN 0.709 nan 8.230 nan 0.000 0.458 278 H N -0.791 118.259 119.070 -0.032 0.000 3.016 278 H HA 0.536 5.092 4.556 0.000 0.000 0.362 278 H C -1.237 174.031 175.328 -0.100 0.000 1.233 278 H CA -0.992 55.017 56.048 -0.065 0.000 1.124 278 H CB 1.883 31.589 29.762 -0.094 0.000 1.850 278 H HN -0.172 nan 8.280 nan 0.000 0.549 279 R N 3.823 123.965 120.500 -0.596 0.000 2.502 279 R HA 0.420 4.760 4.340 0.000 0.000 0.300 279 R C -1.607 174.357 176.300 -0.561 0.000 0.984 279 R CA -0.698 55.119 56.100 -0.473 0.000 0.882 279 R CB 0.761 30.821 30.300 -0.400 0.000 1.180 279 R HN 0.545 nan 8.270 nan 0.000 0.444 280 L N 5.115 126.101 121.223 -0.395 0.000 2.272 280 L HA 0.555 4.895 4.340 0.000 0.000 0.289 280 L C 0.255 176.971 176.870 -0.257 0.000 1.032 280 L CA -0.736 53.912 54.840 -0.319 0.000 0.810 280 L CB 1.543 43.359 42.059 -0.404 0.000 1.205 280 L HN 0.478 nan 8.230 nan 0.000 0.422 281 R N 1.414 121.726 120.500 -0.313 0.000 2.500 281 R HA 0.521 4.861 4.340 0.000 0.000 0.277 281 R C 0.430 176.278 176.300 -0.755 0.000 1.026 281 R CA -0.618 55.277 56.100 -0.341 0.000 1.058 281 R CB 1.041 31.252 30.300 -0.149 0.000 1.078 281 R HN 0.762 nan 8.270 nan 0.000 0.509 282 G N 0.188 108.552 108.800 -0.727 0.000 2.569 282 G HA2 -0.041 3.919 3.960 0.000 0.000 0.249 282 G HA3 -0.041 3.919 3.960 0.000 0.000 0.249 282 G C 0.133 174.772 174.900 -0.434 0.000 1.216 282 G CA -0.307 44.216 45.100 -0.962 0.000 0.845 282 G HN 0.789 nan 8.290 nan 0.000 0.568 283 E N -0.917 119.124 120.200 -0.266 0.000 2.127 283 E HA 0.036 4.386 4.350 0.000 0.000 0.191 283 E C 0.903 177.584 176.600 0.134 0.000 0.964 283 E CA 0.337 56.745 56.400 0.013 0.000 0.832 283 E CB 0.175 29.994 29.700 0.200 0.000 0.790 283 E HN 0.542 nan 8.360 nan 0.000 0.465 284 Q N 0.420 120.344 119.800 0.207 0.000 2.331 284 Q HA 0.288 4.628 4.340 0.000 0.000 0.272 284 Q C -1.164 174.935 176.000 0.164 0.000 1.062 284 Q CA -0.606 55.311 55.803 0.191 0.000 0.806 284 Q CB 1.598 30.471 28.738 0.225 0.000 1.312 284 Q HN 0.030 nan 8.270 nan 0.000 0.431 285 M N 2.432 122.101 119.600 0.115 0.000 2.252 285 M HA 0.211 4.691 4.480 0.000 0.000 0.333 285 M C 0.885 177.271 176.300 0.143 0.000 1.111 285 M CA 1.423 56.793 55.300 0.118 0.000 1.140 285 M CB 0.623 33.276 32.600 0.088 0.000 1.538 285 M HN 1.034 nan 8.290 nan 0.000 0.448 286 A N 0.656 123.579 122.820 0.171 0.000 3.396 286 A HA -0.201 4.119 4.320 0.000 0.000 0.267 286 A C 1.474 179.230 177.584 0.286 0.000 1.139 286 A CA 1.369 53.539 52.037 0.222 0.000 1.115 286 A CB -2.553 16.547 19.000 0.167 0.000 1.133 286 A HN 1.017 nan 8.150 nan 0.000 0.920 287 S N -2.456 113.420 115.700 0.293 0.000 2.562 287 S HA 0.190 4.660 4.470 0.000 0.000 0.221 287 S C 0.698 175.563 174.600 0.441 0.000 0.975 287 S CA 1.074 59.490 58.200 0.360 0.000 0.918 287 S CB -0.429 63.037 63.200 0.444 0.000 0.772 287 S HN 1.641 nan 8.310 nan 0.000 0.531 288 Y N 0.083 120.515 120.300 0.220 0.000 3.389 288 Y HA -0.227 4.323 4.550 0.000 0.000 0.213 288 Y C 0.010 176.044 175.900 0.224 0.000 1.272 288 Y CA 0.001 58.210 58.100 0.181 0.000 1.444 288 Y CB -2.496 36.036 38.460 0.121 0.000 1.445 288 Y HN 0.572 nan 8.280 nan 0.000 0.583 289 F N 1.306 121.341 119.950 0.142 0.000 2.538 289 F HA 0.364 4.891 4.527 0.000 0.000 0.382 289 F C 1.246 177.056 175.800 0.016 0.000 1.069 289 F CA 1.636 59.690 58.000 0.090 0.000 1.138 289 F CB 0.250 39.260 39.000 0.016 0.000 1.068 289 F HN 0.390 nan 8.300 nan 0.000 0.556 290 G N 4.301 112.883 108.800 -0.365 0.000 2.168 290 G HA2 -0.301 3.659 3.960 0.000 0.000 0.197 290 G HA3 -0.301 3.659 3.960 0.000 0.000 0.197 290 G C 1.238 176.102 174.900 -0.060 0.000 0.997 290 G CA 0.168 45.108 45.100 -0.266 0.000 0.658 290 G HN 0.797 nan 8.290 nan 0.000 0.513 291 H N 0.883 119.935 119.070 -0.030 0.000 2.353 291 H HA 0.103 4.659 4.556 0.000 0.000 0.300 291 H C 0.623 176.018 175.328 0.111 0.000 1.090 291 H CA 2.083 58.198 56.048 0.113 0.000 1.327 291 H CB 0.236 30.127 29.762 0.216 0.000 1.383 291 H HN 0.417 nan 8.280 nan 0.000 0.508 292 S N 0.469 116.237 115.700 0.113 0.000 2.542 292 S HA 0.509 4.979 4.470 0.000 0.000 0.293 292 S C -0.707 173.860 174.600 -0.055 0.000 1.089 292 S CA -0.470 57.737 58.200 0.012 0.000 0.961 292 S CB 2.817 66.048 63.200 0.052 0.000 1.062 292 S HN 0.294 nan 8.310 nan 0.000 0.483 293 V N -1.175 118.700 119.914 -0.065 0.000 2.760 293 V HA 1.037 5.157 4.120 0.000 0.000 0.309 293 V C -0.550 175.522 176.094 -0.036 0.000 1.077 293 V CA -0.939 61.320 62.300 -0.068 0.000 0.910 293 V CB 1.024 32.787 31.823 -0.100 0.000 1.008 293 V HN 1.173 nan 8.190 nan 0.000 0.424 294 A N 3.325 126.142 122.820 -0.005 0.000 2.435 294 A HA 0.960 5.280 4.320 0.000 0.000 0.304 294 A C -1.081 176.536 177.584 0.055 0.000 1.064 294 A CA -0.798 51.248 52.037 0.015 0.000 0.727 294 A CB 2.312 21.321 19.000 0.014 0.000 1.284 294 A HN 1.512 nan 8.150 nan 0.000 0.415 295 V N 1.264 121.204 119.914 0.042 0.000 2.443 295 V HA 0.802 4.922 4.120 0.000 0.000 0.293 295 V C -0.159 175.945 176.094 0.016 0.000 1.021 295 V CA -0.079 62.251 62.300 0.049 0.000 0.848 295 V CB 1.405 33.213 31.823 -0.024 0.000 0.998 295 V HN 1.129 nan 8.190 nan 0.000 0.424 296 T N 2.302 116.924 114.554 0.114 0.000 2.957 296 T HA 0.276 4.626 4.350 0.000 0.000 0.336 296 T C -1.852 172.965 174.700 0.195 0.000 1.462 296 T CA -0.541 61.661 62.100 0.170 0.000 1.073 296 T CB 1.744 70.678 68.868 0.111 0.000 1.319 296 T HN 0.736 nan 8.240 nan 0.000 0.485 297 D N 2.837 123.346 120.400 0.182 0.000 2.374 297 D HA 0.278 4.918 4.640 0.000 0.000 0.240 297 D C 1.503 177.867 176.300 0.106 0.000 1.229 297 D CA -0.184 53.873 54.000 0.096 0.000 0.895 297 D CB 0.655 41.452 40.800 -0.004 0.000 1.046 297 D HN 0.395 nan 8.370 nan 0.000 0.498 298 V N 1.721 121.705 119.914 0.117 0.000 3.471 298 V HA 0.114 4.234 4.120 0.000 0.000 0.258 298 V C 1.099 177.292 176.094 0.165 0.000 1.192 298 V CA 0.601 62.978 62.300 0.128 0.000 1.116 298 V CB -0.463 31.417 31.823 0.095 0.000 0.792 298 V HN 0.522 nan 8.190 nan 0.000 0.459 299 N N 0.594 119.393 118.700 0.165 0.000 2.204 299 N HA 0.279 5.019 4.740 0.000 0.000 0.219 299 N C 1.369 177.090 175.510 0.352 0.000 1.151 299 N CA 0.379 53.545 53.050 0.194 0.000 0.867 299 N CB 0.563 39.097 38.487 0.078 0.000 1.043 299 N HN 0.755 nan 8.380 nan 0.000 0.516 300 G N 1.603 110.565 108.800 0.271 0.000 2.162 300 G HA2 -0.335 3.625 3.960 0.000 0.000 0.260 300 G HA3 -0.335 3.625 3.960 0.000 0.000 0.260 300 G C 0.325 175.243 174.900 0.030 0.000 0.976 300 G CA 0.564 45.721 45.100 0.095 0.000 0.655 300 G HN 0.629 nan 8.290 nan 0.000 0.533 301 D N 0.060 120.487 120.400 0.045 0.000 2.328 301 D HA 0.359 4.999 4.640 0.000 0.000 0.221 301 D C 1.703 177.982 176.300 -0.036 0.000 1.072 301 D CA 0.485 54.490 54.000 0.008 0.000 0.850 301 D CB -0.668 40.146 40.800 0.023 0.000 0.922 301 D HN 1.565 nan 8.370 nan 0.000 0.516 302 G N 0.651 109.413 108.800 -0.063 0.000 2.176 302 G HA2 -0.315 3.645 3.960 0.000 0.000 0.252 302 G HA3 -0.315 3.645 3.960 0.000 0.000 0.252 302 G C -0.022 174.776 174.900 -0.171 0.000 1.024 302 G CA -0.049 44.980 45.100 -0.118 0.000 0.755 302 G HN 0.469 nan 8.290 nan 0.000 0.507 303 R N -0.479 119.932 120.500 -0.149 0.000 2.476 303 R HA 0.387 4.727 4.340 0.000 0.000 0.305 303 R C -0.251 175.950 176.300 -0.165 0.000 0.965 303 R CA -0.902 55.091 56.100 -0.179 0.000 0.867 303 R CB 1.118 31.369 30.300 -0.081 0.000 1.176 303 R HN 0.509 nan 8.270 nan 0.000 0.447 304 H N 1.440 120.364 119.070 -0.243 0.000 3.001 304 H HA -0.004 4.552 4.556 0.000 0.000 0.334 304 H C -0.258 174.993 175.328 -0.128 0.000 1.034 304 H CA 0.546 56.431 56.048 -0.272 0.000 1.420 304 H CB 0.655 30.073 29.762 -0.574 0.000 1.405 304 H HN 0.348 nan 8.280 nan 0.000 0.593 305 D N 2.189 122.708 120.400 0.197 0.000 2.299 305 D HA 0.222 4.862 4.640 0.000 0.000 0.243 305 D C -0.626 175.872 176.300 0.330 0.000 0.982 305 D CA -0.709 53.450 54.000 0.266 0.000 0.924 305 D CB 2.579 43.490 40.800 0.185 0.000 1.238 305 D HN 0.115 nan 8.370 nan 0.000 0.484 306 L N 1.141 122.586 121.223 0.369 0.000 2.329 306 L HA 0.493 4.833 4.340 0.000 0.000 0.279 306 L C -1.483 175.564 176.870 0.295 0.000 1.014 306 L CA -0.448 54.583 54.840 0.319 0.000 0.814 306 L CB 1.226 43.430 42.059 0.241 0.000 1.257 306 L HN 0.282 nan 8.230 nan 0.000 0.424 307 L N 5.353 126.691 121.223 0.191 0.000 2.362 307 L HA 0.743 5.083 4.340 0.000 0.000 0.275 307 L C -1.023 175.905 176.870 0.096 0.000 0.998 307 L CA -0.727 54.204 54.840 0.150 0.000 0.820 307 L CB 2.161 44.261 42.059 0.068 0.000 1.270 307 L HN 0.340 nan 8.230 nan 0.000 0.415 308 V N 1.245 121.233 119.914 0.122 0.000 2.735 308 V HA 0.726 4.846 4.120 0.000 0.000 0.310 308 V C 0.194 176.290 176.094 0.002 0.000 1.061 308 V CA -0.626 61.641 62.300 -0.055 0.000 0.913 308 V CB 1.972 33.618 31.823 -0.295 0.000 1.005 308 V HN 0.821 nan 8.190 nan 0.000 0.428 309 G N 1.984 110.744 108.800 -0.067 0.000 2.416 309 G HA2 0.644 4.604 3.960 0.000 0.000 0.324 309 G HA3 0.644 4.604 3.960 0.000 0.000 0.324 309 G C -0.378 174.587 174.900 0.109 0.000 1.194 309 G CA -0.252 44.870 45.100 0.036 0.000 0.922 309 G HN 1.153 nan 8.290 nan 0.000 0.467 310 A N 4.335 127.309 122.820 0.256 0.000 2.978 310 A HA 0.660 4.980 4.320 0.000 0.000 0.341 310 A C -1.617 176.158 177.584 0.318 0.000 1.105 310 A CA -1.295 50.963 52.037 0.369 0.000 0.819 310 A CB 1.297 20.667 19.000 0.617 0.000 1.080 310 A HN 0.393 nan 8.150 nan 0.000 0.476 311 P HA -0.123 nan 4.420 nan 0.000 0.219 311 P C 0.743 178.163 177.300 0.201 0.000 1.146 311 P CA 1.062 64.239 63.100 0.129 0.000 0.808 311 P CB 0.176 31.825 31.700 -0.085 0.000 0.779 312 L N -3.119 118.245 121.223 0.234 0.000 2.741 312 L HA 0.199 4.539 4.340 0.000 0.000 0.237 312 L C 0.584 177.604 176.870 0.250 0.000 1.178 312 L CA -0.820 54.153 54.840 0.221 0.000 0.973 312 L CB -0.581 41.591 42.059 0.187 0.000 1.255 312 L HN -0.048 nan 8.230 nan 0.000 0.498 313 Y N 2.085 122.505 120.300 0.200 0.000 2.620 313 Y HA 0.093 4.643 4.550 0.000 0.000 0.330 313 Y C 0.340 176.319 175.900 0.132 0.000 1.186 313 Y CA 0.226 58.439 58.100 0.189 0.000 1.467 313 Y CB 0.421 39.012 38.460 0.219 0.000 1.262 313 Y HN 0.047 nan 8.280 nan 0.000 0.550 314 M N 6.684 125.913 119.600 -0.618 0.000 2.088 314 M HA 0.203 4.683 4.480 0.000 0.000 0.346 314 M C -0.387 175.521 176.300 -0.655 0.000 1.111 314 M CA -0.246 54.789 55.300 -0.441 0.000 1.017 314 M CB 1.171 33.623 32.600 -0.247 0.000 1.568 314 M HN 0.683 nan 8.290 nan 0.000 0.445 315 E N 1.727 121.791 120.200 -0.228 0.000 2.313 315 E HA 0.268 4.618 4.350 0.000 0.000 0.272 315 E C -0.781 175.794 176.600 -0.041 0.000 1.038 315 E CA -0.269 56.122 56.400 -0.014 0.000 0.863 315 E CB 1.196 30.961 29.700 0.109 0.000 1.060 315 E HN 0.561 nan 8.360 nan 0.000 0.402 316 S N 2.505 118.209 115.700 0.006 0.000 2.565 316 S HA 0.344 4.814 4.470 0.000 0.000 0.276 316 S C -0.095 174.507 174.600 0.003 0.000 1.326 316 S CA -0.326 57.873 58.200 -0.002 0.000 1.045 316 S CB 0.792 64.001 63.200 0.016 0.000 0.918 316 S HN 0.425 nan 8.310 nan 0.000 0.505 317 R N 0.436 120.931 120.500 -0.008 0.000 3.080 317 R HA 0.679 5.019 4.340 0.000 0.000 0.248 317 R C -0.591 175.705 176.300 -0.006 0.000 1.324 317 R CA -1.071 55.025 56.100 -0.007 0.000 1.036 317 R CB 0.570 30.860 30.300 -0.016 0.000 1.360 317 R HN 0.627 nan 8.270 nan 0.000 0.479 318 A N 1.135 123.951 122.820 -0.007 0.000 2.483 318 A HA 0.169 4.489 4.320 0.000 0.000 0.238 318 A C -0.401 177.180 177.584 -0.005 0.000 1.070 318 A CA 0.365 52.400 52.037 -0.005 0.000 0.770 318 A CB -0.147 18.850 19.000 -0.005 0.000 1.008 318 A HN 0.785 nan 8.150 nan 0.000 0.497 319 D N 0.386 120.784 120.400 -0.003 0.000 2.800 319 D HA -0.186 4.454 4.640 0.000 0.000 0.232 319 D C 0.307 176.605 176.300 -0.004 0.000 1.137 319 D CA 1.360 55.358 54.000 -0.003 0.000 0.718 319 D CB -1.266 39.533 40.800 -0.003 0.000 1.084 319 D HN 0.868 nan 8.370 nan 0.000 0.432 320 R N -2.043 118.455 120.500 -0.004 0.000 3.758 320 R HA -0.234 4.106 4.340 0.000 0.000 0.299 320 R C -0.047 176.247 176.300 -0.009 0.000 1.182 320 R CA 1.148 57.245 56.100 -0.005 0.000 0.809 320 R CB -1.478 28.820 30.300 -0.003 0.000 1.249 320 R HN 0.344 nan 8.270 nan 0.000 0.497 321 K N 1.184 121.577 120.400 -0.012 0.000 2.183 321 K HA 0.408 4.728 4.320 0.000 0.000 0.274 321 K C 0.146 176.729 176.600 -0.028 0.000 1.009 321 K CA -0.548 55.728 56.287 -0.017 0.000 0.888 321 K CB 1.236 33.727 32.500 -0.016 0.000 1.078 321 K HN -0.007 nan 8.250 nan 0.000 0.459 322 L N 1.867 123.068 121.223 -0.036 0.000 2.325 322 L HA 0.510 4.850 4.340 0.000 0.000 0.279 322 L C -0.118 176.711 176.870 -0.067 0.000 1.054 322 L CA -0.633 54.172 54.840 -0.059 0.000 0.804 322 L CB 1.582 43.601 42.059 -0.067 0.000 1.200 322 L HN 0.661 nan 8.230 nan 0.000 0.436 323 A N 2.309 125.077 122.820 -0.085 0.000 2.375 323 A HA 0.312 4.632 4.320 0.000 0.000 0.291 323 A C -0.479 177.044 177.584 -0.101 0.000 1.160 323 A CA -0.540 51.435 52.037 -0.104 0.000 0.747 323 A CB 0.902 19.847 19.000 -0.092 0.000 1.170 323 A HN 0.734 nan 8.150 nan 0.000 0.458 324 E N 2.172 122.305 120.200 -0.111 0.000 2.292 324 E HA 0.240 4.590 4.350 0.000 0.000 0.265 324 E C 0.561 177.153 176.600 -0.013 0.000 1.093 324 E CA 0.484 56.867 56.400 -0.027 0.000 0.922 324 E CB 0.440 30.182 29.700 0.070 0.000 1.001 324 E HN 0.779 nan 8.360 nan 0.000 0.444 325 V N 1.263 121.228 119.914 0.085 0.000 3.368 325 V HA 0.457 4.577 4.120 0.000 0.000 0.255 325 V C 0.617 176.854 176.094 0.237 0.000 1.466 325 V CA 0.445 62.819 62.300 0.122 0.000 1.095 325 V CB -0.005 31.862 31.823 0.073 0.000 0.899 325 V HN 0.827 nan 8.190 nan 0.000 0.440 326 G N 0.785 109.769 108.800 0.308 0.000 2.663 326 G HA2 0.099 4.059 3.960 0.000 0.000 0.686 326 G HA3 0.099 4.059 3.960 0.000 0.000 0.686 326 G C -0.718 174.429 174.900 0.412 0.000 1.246 326 G CA -0.128 45.201 45.100 0.381 0.000 0.795 326 G HN 0.959 nan 8.290 nan 0.000 0.627 327 R N -0.730 119.979 120.500 0.349 0.000 2.643 327 R HA 0.717 5.057 4.340 0.000 0.000 0.269 327 R C -1.314 175.036 176.300 0.083 0.000 1.037 327 R CA -0.801 55.376 56.100 0.128 0.000 0.894 327 R CB 2.127 32.208 30.300 -0.366 0.000 1.238 327 R HN 0.902 nan 8.270 nan 0.000 0.459 328 V N 3.436 123.336 119.914 -0.024 0.000 2.680 328 V HA 0.536 4.656 4.120 0.000 0.000 0.309 328 V C -1.363 174.586 176.094 -0.241 0.000 1.052 328 V CA -0.668 61.598 62.300 -0.057 0.000 0.908 328 V CB 1.811 33.575 31.823 -0.098 0.000 1.001 328 V HN 0.634 nan 8.190 nan 0.000 0.431 329 Y N 3.877 124.166 120.300 -0.018 0.000 2.393 329 Y HA 0.695 5.245 4.550 0.000 0.000 0.341 329 Y C -0.286 175.517 175.900 -0.162 0.000 0.988 329 Y CA -0.926 57.112 58.100 -0.103 0.000 1.078 329 Y CB 1.807 40.299 38.460 0.054 0.000 1.203 329 Y HN 0.487 nan 8.280 nan 0.000 0.453 330 L N 4.309 125.424 121.223 -0.180 0.000 2.296 330 L HA 0.630 4.970 4.340 0.000 0.000 0.286 330 L C -1.806 174.878 176.870 -0.311 0.000 1.023 330 L CA -0.791 53.975 54.840 -0.123 0.000 0.812 330 L CB 0.185 42.192 42.059 -0.087 0.000 1.223 330 L HN 0.417 nan 8.230 nan 0.000 0.421 331 F N 5.854 125.878 119.950 0.123 0.000 2.403 331 F HA 0.471 4.998 4.527 0.000 0.000 0.355 331 F C -0.277 175.598 175.800 0.125 0.000 1.119 331 F CA -0.599 57.475 58.000 0.124 0.000 1.007 331 F CB 1.117 40.196 39.000 0.133 0.000 1.194 331 F HN 0.215 nan 8.300 nan 0.000 0.443 332 L N 3.297 124.652 121.223 0.220 0.000 2.349 332 L HA 0.320 4.660 4.340 0.000 0.000 0.275 332 L C 0.258 177.238 176.870 0.183 0.000 1.115 332 L CA -0.495 54.447 54.840 0.169 0.000 0.820 332 L CB 1.111 43.227 42.059 0.094 0.000 1.135 332 L HN 0.610 nan 8.230 nan 0.000 0.445 333 Q N 5.527 125.434 119.800 0.178 0.000 2.295 333 Q HA 0.288 4.628 4.340 0.000 0.000 0.259 333 Q C -2.204 173.852 176.000 0.094 0.000 0.976 333 Q CA -1.621 54.279 55.803 0.161 0.000 0.923 333 Q CB 1.323 30.161 28.738 0.167 0.000 1.185 333 Q HN 0.322 nan 8.270 nan 0.000 0.410 334 P HA 0.186 nan 4.420 nan 0.000 0.289 334 P C -0.905 176.429 177.300 0.057 0.000 1.299 334 P CA -0.269 62.858 63.100 0.043 0.000 0.766 334 P CB 1.010 32.718 31.700 0.013 0.000 1.226 335 R N -1.390 119.134 120.500 0.039 0.000 2.596 335 R HA 0.585 4.925 4.340 0.000 0.000 0.267 335 R C 0.697 177.109 176.300 0.186 0.000 1.026 335 R CA 0.159 56.300 56.100 0.070 0.000 1.087 335 R CB 0.134 30.455 30.300 0.035 0.000 1.132 335 R HN 0.874 nan 8.270 nan 0.000 0.531 336 G N 1.312 110.204 108.800 0.154 0.000 2.642 336 G HA2 -0.212 3.748 3.960 0.000 0.000 0.231 336 G HA3 -0.212 3.748 3.960 0.000 0.000 0.231 336 G C -1.928 173.033 174.900 0.102 0.000 1.338 336 G CA -0.434 44.766 45.100 0.167 0.000 0.883 336 G HN 0.564 nan 8.290 nan 0.000 0.570 337 P HA 0.219 nan 4.420 nan 0.000 0.253 337 P C 0.180 177.414 177.300 -0.111 0.000 1.459 337 P CA 0.079 63.132 63.100 -0.078 0.000 0.908 337 P CB -0.265 31.365 31.700 -0.117 0.000 1.470 338 H N 0.732 119.808 119.070 0.010 0.000 2.690 338 H HA 0.447 5.003 4.556 0.000 0.000 0.365 338 H C 0.866 176.180 175.328 -0.023 0.000 1.142 338 H CA -0.016 56.032 56.048 -0.000 0.000 1.417 338 H CB 0.595 30.360 29.762 0.005 0.000 1.446 338 H HN 0.110 nan 8.280 nan 0.000 0.599 339 A N 2.428 125.279 122.820 0.052 0.000 2.304 339 A HA 0.360 4.680 4.320 0.000 0.000 0.271 339 A C -0.471 177.010 177.584 -0.171 0.000 1.091 339 A CA -0.664 51.294 52.037 -0.131 0.000 0.812 339 A CB 0.222 19.102 19.000 -0.200 0.000 1.056 339 A HN 0.504 nan 8.150 nan 0.000 0.489 340 L N 1.572 122.576 121.223 -0.365 0.000 2.453 340 L HA 0.385 4.725 4.340 0.000 0.000 0.272 340 L C 1.260 178.054 176.870 -0.126 0.000 1.182 340 L CA 1.448 56.178 54.840 -0.182 0.000 0.858 340 L CB 0.463 42.451 42.059 -0.119 0.000 1.120 340 L HN 0.907 nan 8.230 nan 0.000 0.474 341 G N 1.293 110.164 108.800 0.118 0.000 3.271 341 G HA2 0.680 4.640 3.960 0.000 0.000 0.174 341 G HA3 0.680 4.640 3.960 0.000 0.000 0.174 341 G C -0.427 174.662 174.900 0.316 0.000 1.385 341 G CA 0.066 45.276 45.100 0.183 0.000 0.979 341 G HN 0.843 nan 8.290 nan 0.000 0.610 342 A N -0.006 122.956 122.820 0.236 0.000 2.280 342 A HA 0.674 4.994 4.320 0.000 0.000 0.268 342 A C -2.287 175.390 177.584 0.155 0.000 1.111 342 A CA -0.822 51.356 52.037 0.235 0.000 0.814 342 A CB -0.266 18.810 19.000 0.126 0.000 1.093 342 A HN 0.365 nan 8.150 nan 0.000 0.498 343 P HA 0.168 nan 4.420 nan 0.000 0.268 343 P C 0.268 177.461 177.300 -0.178 0.000 1.204 343 P CA 0.201 63.063 63.100 -0.398 0.000 0.768 343 P CB 0.863 32.405 31.700 -0.262 0.000 0.842 344 S N 1.508 117.098 115.700 -0.183 0.000 2.470 344 S HA 0.099 4.569 4.470 0.000 0.000 0.225 344 S C 0.465 175.005 174.600 -0.101 0.000 1.006 344 S CA 0.472 58.618 58.200 -0.089 0.000 0.934 344 S CB -0.289 62.883 63.200 -0.047 0.000 0.778 344 S HN 0.383 nan 8.310 nan 0.000 0.517 345 L N 0.419 121.552 121.223 -0.150 0.000 2.556 345 L HA 0.496 4.836 4.340 0.000 0.000 0.257 345 L C -2.194 174.556 176.870 -0.201 0.000 0.955 345 L CA -0.460 54.293 54.840 -0.144 0.000 0.850 345 L CB 1.446 43.432 42.059 -0.122 0.000 1.398 345 L HN -0.011 nan 8.230 nan 0.000 0.412 346 L N 5.548 126.645 121.223 -0.209 0.000 2.388 346 L HA 0.515 4.855 4.340 0.000 0.000 0.267 346 L C -0.972 175.742 176.870 -0.259 0.000 0.995 346 L CA -0.481 54.172 54.840 -0.313 0.000 0.864 346 L CB 1.440 43.305 42.059 -0.323 0.000 1.216 346 L HN 0.468 nan 8.230 nan 0.000 0.430 347 L N 3.135 124.208 121.223 -0.249 0.000 2.276 347 L HA 0.539 4.879 4.340 0.000 0.000 0.286 347 L C 0.055 176.844 176.870 -0.135 0.000 1.061 347 L CA -0.061 54.670 54.840 -0.182 0.000 0.807 347 L CB 1.422 43.359 42.059 -0.202 0.000 1.177 347 L HN 0.519 nan 8.230 nan 0.000 0.429 348 T N 1.337 115.725 114.554 -0.277 0.000 2.863 348 T HA 0.476 4.826 4.350 0.000 0.000 0.285 348 T C 0.359 174.730 174.700 -0.548 0.000 1.009 348 T CA -0.592 61.346 62.100 -0.269 0.000 0.989 348 T CB 1.878 70.664 68.868 -0.138 0.000 1.004 348 T HN 0.718 nan 8.240 nan 0.000 0.455 349 G N 0.638 109.178 108.800 -0.433 0.000 2.569 349 G HA2 0.402 4.362 3.960 0.000 0.000 0.249 349 G HA3 0.402 4.362 3.960 0.000 0.000 0.249 349 G C 0.939 175.733 174.900 -0.177 0.000 1.216 349 G CA -0.034 44.822 45.100 -0.407 0.000 0.845 349 G HN 0.816 nan 8.290 nan 0.000 0.568 350 T N -2.397 112.085 114.554 -0.121 0.000 2.978 350 T HA 0.174 4.524 4.350 0.000 0.000 0.248 350 T C 0.874 175.563 174.700 -0.018 0.000 1.018 350 T CA 0.059 62.122 62.100 -0.062 0.000 1.026 350 T CB 0.179 69.011 68.868 -0.060 0.000 1.032 350 T HN 0.430 nan 8.240 nan 0.000 0.485 351 Q N 1.501 121.312 119.800 0.018 0.000 2.256 351 Q HA 0.556 4.896 4.340 0.000 0.000 0.254 351 Q C -0.720 175.294 176.000 0.024 0.000 0.916 351 Q CA -0.910 54.916 55.803 0.038 0.000 0.932 351 Q CB 1.053 29.845 28.738 0.088 0.000 1.207 351 Q HN 0.390 nan 8.270 nan 0.000 0.426 352 L N 5.219 126.414 121.223 -0.047 0.000 2.490 352 L HA 0.059 4.399 4.340 0.000 0.000 0.274 352 L C -0.669 176.140 176.870 -0.101 0.000 1.201 352 L CA 0.896 55.606 54.840 -0.216 0.000 0.869 352 L CB -0.250 41.580 42.059 -0.382 0.000 1.123 352 L HN 0.814 nan 8.230 nan 0.000 0.484 353 Y N 1.654 122.005 120.300 0.085 0.000 4.409 353 Y HA -0.239 4.311 4.550 0.000 0.000 0.228 353 Y C 1.652 177.647 175.900 0.160 0.000 1.108 353 Y CA 0.901 59.053 58.100 0.086 0.000 1.955 353 Y CB -2.252 36.228 38.460 0.035 0.000 1.615 353 Y HN 0.694 nan 8.280 nan 0.000 0.665 354 G N -0.050 108.920 108.800 0.284 0.000 2.511 354 G HA2 -0.050 3.910 3.960 0.000 0.000 0.217 354 G HA3 -0.050 3.910 3.960 0.000 0.000 0.217 354 G C 0.907 176.013 174.900 0.345 0.000 1.133 354 G CA 0.359 45.649 45.100 0.316 0.000 0.792 354 G HN 0.461 nan 8.290 nan 0.000 0.539 355 R N -1.403 119.282 120.500 0.308 0.000 3.422 355 R HA -0.192 4.148 4.340 0.000 0.000 0.267 355 R C -0.220 176.223 176.300 0.237 0.000 1.074 355 R CA 0.296 56.551 56.100 0.258 0.000 0.718 355 R CB -2.580 27.882 30.300 0.270 0.000 1.157 355 R HN 0.379 nan 8.270 nan 0.000 0.440 356 F N 1.265 121.294 119.950 0.133 0.000 2.602 356 F HA 0.198 4.725 4.527 0.000 0.000 0.385 356 F C 1.554 177.405 175.800 0.085 0.000 1.063 356 F CA 1.916 59.981 58.000 0.108 0.000 1.233 356 F CB 0.544 39.606 39.000 0.104 0.000 1.067 356 F HN 0.426 nan 8.300 nan 0.000 0.564 357 G N 3.201 111.678 108.800 -0.538 0.000 2.159 357 G HA2 -0.321 3.639 3.960 0.000 0.000 0.227 357 G HA3 -0.321 3.639 3.960 0.000 0.000 0.227 357 G C 1.059 175.881 174.900 -0.129 0.000 0.986 357 G CA 0.454 45.342 45.100 -0.355 0.000 0.651 357 G HN 0.964 nan 8.290 nan 0.000 0.523 358 S N -0.570 115.063 115.700 -0.111 0.000 2.453 358 S HA 0.561 5.031 4.470 0.000 0.000 0.231 358 S C 1.107 175.690 174.600 -0.027 0.000 1.005 358 S CA 1.840 59.988 58.200 -0.086 0.000 0.949 358 S CB -0.122 63.047 63.200 -0.052 0.000 0.774 358 S HN 2.018 nan 8.310 nan 0.000 0.510 359 A N 0.317 123.074 122.820 -0.105 0.000 2.540 359 A HA 0.697 5.017 4.320 0.000 0.000 0.297 359 A C -1.367 176.142 177.584 -0.125 0.000 1.056 359 A CA -0.690 51.271 52.037 -0.127 0.000 0.700 359 A CB 1.046 19.937 19.000 -0.182 0.000 1.280 359 A HN 0.343 nan 8.150 nan 0.000 0.398 360 I N 1.673 122.186 120.570 -0.094 0.000 2.497 360 I HA 0.575 4.745 4.170 0.000 0.000 0.284 360 I C 0.174 176.269 176.117 -0.037 0.000 1.060 360 I CA -0.479 60.778 61.300 -0.072 0.000 1.071 360 I CB 2.011 39.972 38.000 -0.066 0.000 1.216 360 I HN 0.766 nan 8.210 nan 0.000 0.442 361 A N 7.691 130.501 122.820 -0.016 0.000 2.287 361 A HA 0.818 5.138 4.320 0.000 0.000 0.317 361 A C -2.714 174.893 177.584 0.038 0.000 1.220 361 A CA -1.709 50.335 52.037 0.011 0.000 0.835 361 A CB 0.645 19.653 19.000 0.013 0.000 1.180 361 A HN 0.332 nan 8.150 nan 0.000 0.500 362 P HA 0.168 nan 4.420 nan 0.000 0.267 362 P C 0.294 177.631 177.300 0.062 0.000 1.209 362 P CA 0.153 63.288 63.100 0.058 0.000 0.763 362 P CB 0.572 32.306 31.700 0.056 0.000 0.816 363 L N 2.131 123.391 121.223 0.062 0.000 2.585 363 L HA 0.255 4.595 4.340 0.000 0.000 0.226 363 L C 1.414 178.306 176.870 0.036 0.000 1.113 363 L CA 0.344 55.217 54.840 0.055 0.000 0.876 363 L CB -0.667 41.429 42.059 0.061 0.000 1.072 363 L HN 0.666 nan 8.230 nan 0.000 0.468 364 G N 0.855 109.678 108.800 0.037 0.000 2.598 364 G HA2 -0.307 3.653 3.960 0.000 0.000 0.244 364 G HA3 -0.307 3.653 3.960 0.000 0.000 0.244 364 G C -0.497 174.421 174.900 0.031 0.000 1.302 364 G CA -0.177 44.936 45.100 0.021 0.000 0.903 364 G HN 0.223 nan 8.290 nan 0.000 0.575 365 D N 0.523 120.929 120.400 0.010 0.000 2.441 365 D HA 0.428 5.068 4.640 0.000 0.000 0.221 365 D C 1.435 177.751 176.300 0.026 0.000 1.156 365 D CA -0.454 53.557 54.000 0.018 0.000 0.896 365 D CB 0.959 41.749 40.800 -0.017 0.000 1.028 365 D HN 0.390 nan 8.370 nan 0.000 0.509 366 L N 3.663 124.925 121.223 0.065 0.000 2.072 366 L HA -0.037 4.303 4.340 0.000 0.000 0.205 366 L C 1.394 178.357 176.870 0.156 0.000 1.079 366 L CA 1.676 56.578 54.840 0.102 0.000 0.752 366 L CB -0.051 42.062 42.059 0.090 0.000 0.906 366 L HN 0.378 nan 8.230 nan 0.000 0.436 367 D N -1.863 118.610 120.400 0.121 0.000 2.363 367 D HA -0.007 4.633 4.640 0.000 0.000 0.214 367 D C 0.628 176.988 176.300 0.100 0.000 1.093 367 D CA -0.218 53.866 54.000 0.140 0.000 0.837 367 D CB -0.175 40.688 40.800 0.105 0.000 0.948 367 D HN 0.301 nan 8.370 nan 0.000 0.507 368 R N 0.304 120.827 120.500 0.038 0.000 3.651 368 R HA -0.150 4.190 4.340 0.000 0.000 0.292 368 R C -0.022 176.271 176.300 -0.012 0.000 1.161 368 R CA 1.070 57.152 56.100 -0.030 0.000 0.787 368 R CB -1.954 28.289 30.300 -0.095 0.000 1.249 368 R HN 0.412 nan 8.270 nan 0.000 0.476 369 D N -0.919 119.496 120.400 0.024 0.000 2.350 369 D HA 0.088 4.728 4.640 0.000 0.000 0.213 369 D C 1.333 177.601 176.300 -0.054 0.000 1.031 369 D CA 0.943 54.964 54.000 0.035 0.000 0.861 369 D CB 0.301 41.172 40.800 0.119 0.000 0.926 369 D HN 0.434 nan 8.370 nan 0.000 0.520 370 G N -0.720 108.008 108.800 -0.120 0.000 2.201 370 G HA2 -0.209 3.751 3.960 0.000 0.000 0.212 370 G HA3 -0.209 3.751 3.960 0.000 0.000 0.212 370 G C -0.342 174.289 174.900 -0.447 0.000 0.994 370 G CA -0.179 44.737 45.100 -0.307 0.000 0.644 370 G HN 0.352 nan 8.290 nan 0.000 0.508 371 Y N 1.427 121.729 120.300 0.004 0.000 2.364 371 Y HA 0.587 5.137 4.550 0.000 0.000 0.340 371 Y C 0.434 176.345 175.900 0.019 0.000 0.975 371 Y CA -1.258 56.849 58.100 0.012 0.000 1.089 371 Y CB 1.176 39.648 38.460 0.020 0.000 1.192 371 Y HN -0.003 nan 8.280 nan 0.000 0.454 372 N N 3.068 121.865 118.700 0.161 0.000 2.482 372 N HA 0.120 4.860 4.740 0.000 0.000 0.260 372 N C -0.916 174.670 175.510 0.125 0.000 1.236 372 N CA 0.065 53.181 53.050 0.110 0.000 0.938 372 N CB 0.695 39.234 38.487 0.085 0.000 1.128 372 N HN 0.624 nan 8.380 nan 0.000 0.448 373 D N 0.321 120.784 120.400 0.104 0.000 2.423 373 D HA 0.547 5.187 4.640 0.000 0.000 0.235 373 D C 0.363 176.726 176.300 0.105 0.000 1.011 373 D CA -0.380 53.686 54.000 0.111 0.000 0.963 373 D CB 2.015 42.877 40.800 0.104 0.000 1.349 373 D HN 0.469 nan 8.370 nan 0.000 0.508 374 I N -3.184 117.464 120.570 0.129 0.000 3.145 374 I HA 0.860 5.030 4.170 0.000 0.000 0.313 374 I C -1.509 174.698 176.117 0.150 0.000 1.122 374 I CA -1.152 60.220 61.300 0.120 0.000 0.987 374 I CB 2.367 40.429 38.000 0.102 0.000 1.236 374 I HN 0.377 nan 8.210 nan 0.000 0.453 375 A N 3.168 126.053 122.820 0.108 0.000 2.374 375 A HA 0.784 5.104 4.320 0.000 0.000 0.305 375 A C -1.178 176.446 177.584 0.066 0.000 1.053 375 A CA -0.579 51.520 52.037 0.103 0.000 0.726 375 A CB 1.699 20.718 19.000 0.032 0.000 1.229 375 A HN 0.539 nan 8.150 nan 0.000 0.431 376 V N 1.526 121.504 119.914 0.107 0.000 2.555 376 V HA 0.716 4.836 4.120 0.000 0.000 0.302 376 V C 0.530 176.582 176.094 -0.070 0.000 1.038 376 V CA -0.373 61.889 62.300 -0.064 0.000 0.887 376 V CB 1.612 33.314 31.823 -0.201 0.000 0.991 376 V HN 1.235 nan 8.190 nan 0.000 0.434 377 A N 3.489 126.219 122.820 -0.150 0.000 2.301 377 A HA 0.846 5.166 4.320 0.000 0.000 0.312 377 A C 0.227 177.797 177.584 -0.024 0.000 1.182 377 A CA -0.157 51.834 52.037 -0.077 0.000 0.826 377 A CB 1.057 19.992 19.000 -0.109 0.000 1.134 377 A HN 1.429 nan 8.150 nan 0.000 0.501 378 A N 4.248 127.138 122.820 0.117 0.000 2.978 378 A HA 0.651 4.971 4.320 0.000 0.000 0.341 378 A C -2.203 175.486 177.584 0.175 0.000 1.105 378 A CA -1.253 50.910 52.037 0.211 0.000 0.819 378 A CB 0.427 19.638 19.000 0.353 0.000 1.080 378 A HN 0.465 nan 8.150 nan 0.000 0.476 379 P HA -0.103 nan 4.420 nan 0.000 0.223 379 P C -0.098 176.968 177.300 -0.389 0.000 1.144 379 P CA 1.561 64.592 63.100 -0.115 0.000 0.783 379 P CB -0.061 31.546 31.700 -0.156 0.000 0.771 380 Y N -2.053 118.366 120.300 0.199 0.000 2.715 380 Y HA 0.450 5.000 4.550 0.000 0.000 0.255 380 Y C 1.486 177.491 175.900 0.175 0.000 1.139 380 Y CA -0.675 57.530 58.100 0.175 0.000 1.151 380 Y CB 0.109 38.665 38.460 0.161 0.000 1.201 380 Y HN -0.169 nan 8.280 nan 0.000 0.556 381 G N -0.335 108.621 108.800 0.260 0.000 2.531 381 G HA2 0.554 4.514 3.960 0.000 0.000 0.281 381 G HA3 0.554 4.514 3.960 0.000 0.000 0.281 381 G C 0.263 175.263 174.900 0.167 0.000 1.382 381 G CA -0.126 45.105 45.100 0.219 0.000 1.045 381 G HN 0.546 nan 8.290 nan 0.000 0.533 382 G N -1.482 107.398 108.800 0.132 0.000 2.733 382 G HA2 -0.041 3.919 3.960 0.000 0.000 0.686 382 G HA3 -0.041 3.919 3.960 0.000 0.000 0.686 382 G C -1.516 173.431 174.900 0.078 0.000 1.373 382 G CA -0.012 45.143 45.100 0.092 0.000 0.838 382 G HN 0.532 nan 8.290 nan 0.000 0.588 383 P HA -0.120 nan 4.420 nan 0.000 0.216 383 P C 2.131 179.463 177.300 0.053 0.000 1.150 383 P CA 2.514 65.641 63.100 0.045 0.000 0.843 383 P CB -0.041 31.677 31.700 0.029 0.000 0.787 384 S N -2.181 113.550 115.700 0.053 0.000 2.436 384 S HA 0.173 4.643 4.470 0.000 0.000 0.228 384 S C 1.737 176.389 174.600 0.086 0.000 1.014 384 S CA 0.682 58.915 58.200 0.056 0.000 0.950 384 S CB -1.296 61.926 63.200 0.038 0.000 0.784 384 S HN 0.296 nan 8.310 nan 0.000 0.504 385 G N 1.678 110.544 108.800 0.110 0.000 2.137 385 G HA2 -0.249 3.711 3.960 0.000 0.000 0.237 385 G HA3 -0.249 3.711 3.960 0.000 0.000 0.237 385 G C 0.719 175.728 174.900 0.182 0.000 1.002 385 G CA 0.255 45.455 45.100 0.167 0.000 0.702 385 G HN 0.519 nan 8.290 nan 0.000 0.515 386 R N 0.151 120.723 120.500 0.120 0.000 2.300 386 R HA 0.430 4.770 4.340 0.000 0.000 0.199 386 R C 1.286 177.640 176.300 0.091 0.000 0.920 386 R CA 0.774 56.932 56.100 0.096 0.000 1.046 386 R CB 0.418 30.744 30.300 0.043 0.000 0.984 386 R HN 1.466 nan 8.270 nan 0.000 0.493 387 G N 0.873 109.746 108.800 0.123 0.000 2.465 387 G HA2 -0.115 3.845 3.960 0.000 0.000 0.681 387 G HA3 -0.115 3.845 3.960 0.000 0.000 0.681 387 G C -1.515 173.551 174.900 0.277 0.000 1.340 387 G CA -0.889 44.343 45.100 0.220 0.000 0.884 387 G HN 0.094 nan 8.290 nan 0.000 0.650 388 Q N -0.845 119.194 119.800 0.398 0.000 2.403 388 Q HA 0.576 4.916 4.340 0.000 0.000 0.267 388 Q C -1.426 174.773 176.000 0.330 0.000 0.991 388 Q CA -0.842 55.168 55.803 0.345 0.000 0.906 388 Q CB 2.671 31.539 28.738 0.217 0.000 1.422 388 Q HN 0.949 nan 8.270 nan 0.000 0.400 389 V N 3.877 123.975 119.914 0.306 0.000 2.495 389 V HA 0.560 4.680 4.120 0.000 0.000 0.298 389 V C -1.020 175.129 176.094 0.092 0.000 1.031 389 V CA -0.718 61.661 62.300 0.131 0.000 0.871 389 V CB 1.587 33.402 31.823 -0.012 0.000 0.988 389 V HN 0.607 nan 8.190 nan 0.000 0.432 390 L N 5.187 126.481 121.223 0.119 0.000 2.325 390 L HA 0.573 4.913 4.340 0.000 0.000 0.281 390 L C -0.160 176.688 176.870 -0.037 0.000 1.004 390 L CA -0.279 54.578 54.840 0.029 0.000 0.823 390 L CB 1.839 43.998 42.059 0.165 0.000 1.236 390 L HN 0.375 nan 8.230 nan 0.000 0.415 391 V N 3.675 123.483 119.914 -0.176 0.000 2.461 391 V HA 0.376 4.496 4.120 0.000 0.000 0.275 391 V C -0.419 175.489 176.094 -0.310 0.000 1.047 391 V CA -0.152 62.080 62.300 -0.113 0.000 0.955 391 V CB 0.721 32.500 31.823 -0.073 0.000 0.988 391 V HN 0.392 nan 8.190 nan 0.000 0.471 392 F N 4.677 124.656 119.950 0.047 0.000 2.493 392 F HA 0.581 5.109 4.527 0.000 0.000 0.329 392 F C 0.083 175.905 175.800 0.037 0.000 1.126 392 F CA -0.586 57.441 58.000 0.045 0.000 0.937 392 F CB 1.460 40.494 39.000 0.056 0.000 1.146 392 F HN 0.214 nan 8.300 nan 0.000 0.442 393 L N 2.687 124.011 121.223 0.168 0.000 2.375 393 L HA 0.611 4.951 4.340 0.000 0.000 0.271 393 L C 0.857 177.788 176.870 0.103 0.000 1.107 393 L CA -0.643 54.267 54.840 0.116 0.000 0.806 393 L CB 0.954 43.057 42.059 0.075 0.000 1.146 393 L HN 0.762 nan 8.230 nan 0.000 0.447 394 G N 1.305 110.161 108.800 0.095 0.000 2.537 394 G HA2 0.569 4.529 3.960 0.000 0.000 0.273 394 G HA3 0.569 4.529 3.960 0.000 0.000 0.273 394 G C -0.917 173.911 174.900 -0.120 0.000 1.189 394 G CA -0.216 44.911 45.100 0.046 0.000 0.881 394 G HN 0.721 nan 8.290 nan 0.000 0.535 395 Q N -1.997 117.579 119.800 -0.373 0.000 2.738 395 Q HA 0.409 4.749 4.340 0.000 0.000 0.301 395 Q C 0.809 176.283 176.000 -0.877 0.000 0.901 395 Q CA -0.201 55.098 55.803 -0.839 0.000 0.756 395 Q CB 0.725 29.236 28.738 -0.378 0.000 1.463 395 Q HN 0.623 nan 8.270 nan 0.000 0.432 396 S N -0.260 114.940 115.700 -0.832 0.000 2.383 396 S HA -0.212 4.258 4.470 0.000 0.000 0.229 396 S C 1.087 175.605 174.600 -0.138 0.000 1.030 396 S CA 1.775 59.799 58.200 -0.293 0.000 1.002 396 S CB -0.387 62.764 63.200 -0.082 0.000 0.829 396 S HN 0.634 nan 8.310 nan 0.000 0.467 397 E N 1.032 121.144 120.200 -0.147 0.000 2.358 397 E HA 0.328 4.678 4.350 0.000 0.000 0.195 397 E C 1.405 177.967 176.600 -0.062 0.000 1.010 397 E CA 0.402 56.755 56.400 -0.078 0.000 0.856 397 E CB -0.023 29.635 29.700 -0.069 0.000 0.795 397 E HN 0.721 nan 8.360 nan 0.000 0.504 398 G N 0.049 108.799 108.800 -0.084 0.000 1.812 398 G HA2 -0.048 3.912 3.960 0.000 0.000 0.053 398 G HA3 -0.048 3.912 3.960 0.000 0.000 0.053 398 G C -1.038 173.835 174.900 -0.044 0.000 0.844 398 G CA -0.752 44.322 45.100 -0.043 0.000 1.151 398 G HN 0.035 nan 8.290 nan 0.000 0.362 399 L N 0.663 121.868 121.223 -0.030 0.000 2.333 399 L HA 0.677 5.017 4.340 0.000 0.000 0.263 399 L C 0.463 177.343 176.870 0.017 0.000 1.014 399 L CA -0.989 53.852 54.840 0.002 0.000 0.820 399 L CB 2.236 44.296 42.059 0.001 0.000 1.352 399 L HN 0.406 nan 8.230 nan 0.000 0.421 400 R N 0.132 120.681 120.500 0.081 0.000 2.438 400 R HA 0.066 4.406 4.340 0.000 0.000 0.287 400 R C 1.086 177.487 176.300 0.169 0.000 1.077 400 R CA 0.043 56.204 56.100 0.102 0.000 1.034 400 R CB 1.217 31.583 30.300 0.109 0.000 0.993 400 R HN 0.673 nan 8.270 nan 0.000 0.459 401 S N 2.994 118.754 115.700 0.100 0.000 2.399 401 S HA -0.075 4.395 4.470 0.000 0.000 0.231 401 S C 0.459 175.186 174.600 0.212 0.000 1.022 401 S CA 1.202 59.458 58.200 0.094 0.000 0.983 401 S CB 0.275 63.495 63.200 0.035 0.000 0.803 401 S HN 0.466 nan 8.310 nan 0.000 0.480 402 R N 1.222 121.842 120.500 0.200 0.000 2.711 402 R HA 0.490 4.830 4.340 0.000 0.000 0.284 402 R C -2.813 173.499 176.300 0.019 0.000 0.968 402 R CA -2.409 53.783 56.100 0.153 0.000 0.924 402 R CB 1.393 31.720 30.300 0.045 0.000 1.162 402 R HN 0.219 nan 8.270 nan 0.000 0.465 403 P HA -0.005 nan 4.420 nan 0.000 0.276 403 P C 0.248 177.371 177.300 -0.294 0.000 1.230 403 P CA -0.114 62.576 63.100 -0.683 0.000 0.776 403 P CB 1.437 32.656 31.700 -0.802 0.000 0.888 404 S N 1.724 117.284 115.700 -0.232 0.000 2.453 404 S HA -0.089 4.381 4.470 0.000 0.000 0.231 404 S C 0.714 175.250 174.600 -0.105 0.000 1.005 404 S CA 0.512 58.645 58.200 -0.113 0.000 0.949 404 S CB -0.245 62.920 63.200 -0.059 0.000 0.774 404 S HN 0.684 nan 8.310 nan 0.000 0.510 405 Q N -0.728 118.983 119.800 -0.149 0.000 2.435 405 Q HA 0.609 4.949 4.340 0.000 0.000 0.282 405 Q C -2.420 173.509 176.000 -0.118 0.000 1.020 405 Q CA -0.760 54.982 55.803 -0.101 0.000 0.820 405 Q CB 2.367 31.067 28.738 -0.063 0.000 1.436 405 Q HN 0.148 nan 8.270 nan 0.000 0.395 406 V N 3.729 123.604 119.914 -0.065 0.000 2.482 406 V HA 0.397 4.517 4.120 0.000 0.000 0.295 406 V C -0.819 175.276 176.094 0.001 0.000 1.026 406 V CA -0.571 61.709 62.300 -0.033 0.000 0.856 406 V CB 1.574 33.384 31.823 -0.021 0.000 1.001 406 V HN 0.680 nan 8.190 nan 0.000 0.424 407 L N 4.570 125.804 121.223 0.018 0.000 2.257 407 L HA 0.526 4.866 4.340 0.000 0.000 0.290 407 L C -0.102 176.828 176.870 0.099 0.000 1.044 407 L CA -0.366 54.500 54.840 0.045 0.000 0.810 407 L CB 0.817 42.832 42.059 -0.073 0.000 1.193 407 L HN 0.510 nan 8.230 nan 0.000 0.425 408 D N 1.582 121.991 120.400 0.016 0.000 2.264 408 D HA 0.065 4.705 4.640 0.000 0.000 0.249 408 D C 0.110 176.190 176.300 -0.367 0.000 1.070 408 D CA -0.054 53.895 54.000 -0.086 0.000 0.912 408 D CB 1.938 42.704 40.800 -0.058 0.000 1.193 408 D HN 0.363 nan 8.370 nan 0.000 0.427 409 S N 1.715 117.035 115.700 -0.634 0.000 2.516 409 S HA 0.103 4.573 4.470 0.000 0.000 0.282 409 S C -1.550 172.706 174.600 -0.573 0.000 1.286 409 S CA -1.029 56.487 58.200 -1.140 0.000 1.066 409 S CB 0.589 63.384 63.200 -0.676 0.000 0.884 409 S HN 0.260 nan 8.310 nan 0.000 0.491 410 P HA 0.219 nan 4.420 nan 0.000 0.257 410 P C -0.514 176.436 177.300 -0.583 0.000 1.281 410 P CA 0.047 62.839 63.100 -0.513 0.000 0.826 410 P CB -0.059 31.386 31.700 -0.425 0.000 1.237 411 F N 1.015 120.912 119.950 -0.088 0.000 2.509 411 F HA 0.534 5.061 4.527 0.000 0.000 0.334 411 F C -1.695 174.077 175.800 -0.047 0.000 1.060 411 F CA -2.744 55.230 58.000 -0.043 0.000 0.997 411 F CB -0.694 38.330 39.000 0.040 0.000 1.271 411 F HN -0.286 nan 8.300 nan 0.000 0.488 412 P HA 0.188 nan 4.420 nan 0.000 0.286 412 P C -0.721 176.634 177.300 0.091 0.000 1.293 412 P CA -0.448 62.706 63.100 0.090 0.000 0.770 412 P CB 0.151 31.891 31.700 0.066 0.000 1.206 413 T N -0.320 114.277 114.554 0.072 0.000 2.930 413 T HA 0.383 4.733 4.350 0.000 0.000 0.306 413 T C 1.173 175.928 174.700 0.092 0.000 1.045 413 T CA 1.021 63.175 62.100 0.090 0.000 1.134 413 T CB -0.320 68.598 68.868 0.083 0.000 0.961 413 T HN 0.837 nan 8.240 nan 0.000 0.545 414 G N 1.675 110.558 108.800 0.139 0.000 2.143 414 G HA2 -0.326 3.634 3.960 0.000 0.000 0.248 414 G HA3 -0.326 3.634 3.960 0.000 0.000 0.248 414 G C 1.088 175.984 174.900 -0.006 0.000 0.991 414 G CA 0.707 45.892 45.100 0.143 0.000 0.689 414 G HN 1.017 nan 8.290 nan 0.000 0.522 415 S N -0.713 114.965 115.700 -0.037 0.000 2.489 415 S HA 0.438 4.908 4.470 0.000 0.000 0.228 415 S C 2.038 176.453 174.600 -0.308 0.000 0.995 415 S CA 1.569 59.688 58.200 -0.134 0.000 0.934 415 S CB -0.080 63.129 63.200 0.014 0.000 0.771 415 S HN 2.353 nan 8.310 nan 0.000 0.522 416 A N 0.095 122.712 122.820 -0.338 0.000 2.860 416 A HA -0.217 4.103 4.320 0.000 0.000 0.267 416 A C 0.220 177.715 177.584 -0.148 0.000 1.421 416 A CA 0.631 52.386 52.037 -0.470 0.000 0.831 416 A CB -3.042 15.533 19.000 -0.707 0.000 1.041 416 A HN 1.135 nan 8.150 nan 0.000 0.623 417 F N 0.362 120.236 119.950 -0.127 0.000 2.473 417 F HA 0.300 4.827 4.527 0.000 0.000 0.405 417 F C 1.451 177.284 175.800 0.055 0.000 0.988 417 F CA 1.830 59.869 58.000 0.065 0.000 1.096 417 F CB -0.274 38.852 39.000 0.209 0.000 0.944 417 F HN 1.534 nan 8.300 nan 0.000 0.530 418 G N 5.046 113.603 108.800 -0.404 0.000 2.253 418 G HA2 -0.368 3.592 3.960 0.000 0.000 0.209 418 G HA3 -0.368 3.592 3.960 0.000 0.000 0.209 418 G C 0.821 175.656 174.900 -0.108 0.000 0.997 418 G CA 0.093 44.987 45.100 -0.344 0.000 0.640 418 G HN 0.731 nan 8.290 nan 0.000 0.496 419 F N 3.015 122.880 119.950 -0.142 0.000 2.184 419 F HA 0.084 4.611 4.527 0.000 0.000 0.301 419 F C 1.623 177.350 175.800 -0.121 0.000 1.076 419 F CA 2.265 60.220 58.000 -0.075 0.000 1.295 419 F CB 0.117 39.130 39.000 0.023 0.000 1.026 419 F HN 0.457 nan 8.300 nan 0.000 0.494 420 S N 0.170 115.845 115.700 -0.041 0.000 2.500 420 S HA 0.715 5.185 4.470 0.000 0.000 0.301 420 S C -1.016 173.511 174.600 -0.122 0.000 1.092 420 S CA -0.864 57.258 58.200 -0.130 0.000 1.030 420 S CB 2.318 65.478 63.200 -0.067 0.000 1.031 420 S HN 0.127 nan 8.310 nan 0.000 0.483 421 L N 1.629 122.779 121.223 -0.121 0.000 2.422 421 L HA 0.789 5.129 4.340 0.000 0.000 0.264 421 L C -0.583 176.255 176.870 -0.053 0.000 0.984 421 L CA -0.762 54.024 54.840 -0.089 0.000 0.819 421 L CB 2.502 44.507 42.059 -0.090 0.000 1.330 421 L HN 0.728 nan 8.230 nan 0.000 0.410 422 R N 0.626 121.119 120.500 -0.012 0.000 2.668 422 R HA 0.839 5.179 4.340 0.000 0.000 0.272 422 R C -0.888 175.576 176.300 0.274 0.000 1.019 422 R CA -0.137 56.008 56.100 0.076 0.000 0.894 422 R CB 2.224 32.497 30.300 -0.045 0.000 1.228 422 R HN 0.751 nan 8.270 nan 0.000 0.460 423 G N 0.249 109.252 108.800 0.338 0.000 2.871 423 G HA2 0.536 4.496 3.960 0.000 0.000 0.282 423 G HA3 0.536 4.496 3.960 0.000 0.000 0.282 423 G C -0.608 174.360 174.900 0.114 0.000 1.212 423 G CA 0.017 45.291 45.100 0.290 0.000 0.812 423 G HN 1.322 nan 8.290 nan 0.000 0.547 424 A N -2.372 120.443 122.820 -0.008 0.000 2.899 424 A HA 0.037 4.357 4.320 0.000 0.000 0.257 424 A C 0.152 177.620 177.584 -0.194 0.000 1.335 424 A CA 1.254 53.254 52.037 -0.062 0.000 0.924 424 A CB -2.033 16.966 19.000 -0.002 0.000 1.105 424 A HN 1.784 nan 8.150 nan 0.000 0.765 425 V N 0.102 119.767 119.914 -0.416 0.000 2.760 425 V HA 0.539 4.659 4.120 0.000 0.000 0.309 425 V C -0.561 175.193 176.094 -0.568 0.000 1.077 425 V CA -0.248 61.685 62.300 -0.610 0.000 0.910 425 V CB 2.031 33.186 31.823 -1.113 0.000 1.008 425 V HN 0.441 nan 8.190 nan 0.000 0.424 426 D N 3.211 123.390 120.400 -0.368 0.000 2.468 426 D HA 0.261 4.901 4.640 0.000 0.000 0.218 426 D C 0.735 176.860 176.300 -0.291 0.000 1.155 426 D CA -0.001 53.843 54.000 -0.259 0.000 0.924 426 D CB 0.958 41.664 40.800 -0.157 0.000 1.029 426 D HN 0.553 nan 8.370 nan 0.000 0.515 427 I N 2.230 122.573 120.570 -0.379 0.000 2.406 427 I HA -0.147 4.023 4.170 0.000 0.000 0.249 427 I C 1.237 176.976 176.117 -0.630 0.000 1.122 427 I CA 0.932 61.963 61.300 -0.448 0.000 1.431 427 I CB 0.388 38.111 38.000 -0.462 0.000 1.087 427 I HN 0.278 nan 8.210 nan 0.000 0.424 428 D N -1.029 119.015 120.400 -0.594 0.000 2.349 428 D HA -0.103 4.537 4.640 0.000 0.000 0.214 428 D C 0.377 176.648 176.300 -0.049 0.000 1.063 428 D CA 0.181 53.990 54.000 -0.319 0.000 0.847 428 D CB -0.342 40.394 40.800 -0.107 0.000 0.933 428 D HN 0.233 nan 8.370 nan 0.000 0.513 429 D N 1.190 121.539 120.400 -0.085 0.000 2.760 429 D HA -0.181 4.459 4.640 0.000 0.000 0.244 429 D C -0.158 176.154 176.300 0.020 0.000 1.123 429 D CA 0.743 54.728 54.000 -0.026 0.000 0.719 429 D CB -1.644 39.159 40.800 0.004 0.000 1.045 429 D HN 0.521 nan 8.370 nan 0.000 0.426 430 N N 0.319 119.043 118.700 0.040 0.000 2.200 430 N HA 0.278 5.018 4.740 0.000 0.000 0.224 430 N C 1.421 177.030 175.510 0.165 0.000 1.179 430 N CA 0.763 53.875 53.050 0.103 0.000 0.877 430 N CB 0.405 38.961 38.487 0.114 0.000 1.072 430 N HN 0.534 nan 8.380 nan 0.000 0.519 431 G N -0.335 108.501 108.800 0.060 0.000 2.141 431 G HA2 -0.265 3.695 3.960 0.000 0.000 0.242 431 G HA3 -0.265 3.695 3.960 0.000 0.000 0.242 431 G C -0.874 173.901 174.900 -0.208 0.000 0.982 431 G CA 0.263 45.325 45.100 -0.063 0.000 0.662 431 G HN 0.409 nan 8.290 nan 0.000 0.527 432 Y N -0.014 120.252 120.300 -0.056 0.000 2.425 432 Y HA 0.549 5.099 4.550 0.000 0.000 0.344 432 Y C -2.241 173.610 175.900 -0.081 0.000 0.969 432 Y CA -2.504 55.565 58.100 -0.052 0.000 1.052 432 Y CB 2.236 40.677 38.460 -0.032 0.000 1.215 432 Y HN -0.064 nan 8.280 nan 0.000 0.451 433 P HA 0.088 nan 4.420 nan 0.000 0.269 433 P C -0.896 176.400 177.300 -0.006 0.000 1.209 433 P CA 0.117 63.195 63.100 -0.035 0.000 0.776 433 P CB 0.892 32.574 31.700 -0.031 0.000 0.876 434 D N 1.063 121.420 120.400 -0.071 0.000 2.414 434 D HA 0.521 5.161 4.640 0.000 0.000 0.241 434 D C -0.780 175.589 176.300 0.115 0.000 1.008 434 D CA -0.202 53.803 54.000 0.009 0.000 1.001 434 D CB 1.614 42.385 40.800 -0.049 0.000 1.277 434 D HN 0.121 nan 8.370 nan 0.000 0.538 435 L N 1.103 122.447 121.223 0.202 0.000 2.385 435 L HA 0.498 4.838 4.340 0.000 0.000 0.273 435 L C -0.982 176.073 176.870 0.308 0.000 0.990 435 L CA -0.643 54.342 54.840 0.243 0.000 0.821 435 L CB 1.394 43.529 42.059 0.126 0.000 1.279 435 L HN 0.385 nan 8.230 nan 0.000 0.412 436 I N 2.978 123.701 120.570 0.256 0.000 2.493 436 I HA 0.819 4.989 4.170 0.000 0.000 0.298 436 I C -1.246 174.926 176.117 0.092 0.000 0.998 436 I CA -0.911 60.488 61.300 0.166 0.000 1.137 436 I CB 2.017 39.998 38.000 -0.031 0.000 1.310 436 I HN 0.309 nan 8.210 nan 0.000 0.445 437 V N 4.574 124.577 119.914 0.148 0.000 2.525 437 V HA 0.640 4.760 4.120 0.000 0.000 0.299 437 V C 0.544 176.681 176.094 0.072 0.000 1.034 437 V CA -0.422 61.891 62.300 0.022 0.000 0.863 437 V CB 1.475 33.258 31.823 -0.066 0.000 0.999 437 V HN 1.003 nan 8.190 nan 0.000 0.423 438 G N 2.873 111.667 108.800 -0.010 0.000 2.377 438 G HA2 0.636 4.596 3.960 0.000 0.000 0.299 438 G HA3 0.636 4.596 3.960 0.000 0.000 0.299 438 G C -0.208 174.712 174.900 0.033 0.000 1.150 438 G CA -0.145 44.978 45.100 0.038 0.000 0.847 438 G HN 1.182 nan 8.290 nan 0.000 0.501 439 A N 2.283 125.107 122.820 0.006 0.000 2.893 439 A HA 0.470 4.790 4.320 0.000 0.000 0.333 439 A C 0.379 177.882 177.584 -0.136 0.000 1.152 439 A CA -0.696 51.274 52.037 -0.111 0.000 0.782 439 A CB 0.031 18.848 19.000 -0.306 0.000 1.108 439 A HN 1.058 nan 8.150 nan 0.000 0.469 440 Y N 0.258 120.543 120.300 -0.025 0.000 2.352 440 Y HA 0.075 4.625 4.550 0.000 0.000 0.292 440 Y C 1.627 177.539 175.900 0.021 0.000 1.136 440 Y CA 1.408 59.529 58.100 0.035 0.000 1.227 440 Y CB -0.593 37.927 38.460 0.099 0.000 0.991 440 Y HN 0.379 nan 8.280 nan 0.000 0.545 441 G N 0.487 108.925 108.800 -0.604 0.000 2.422 441 G HA2 -0.116 3.844 3.960 0.000 0.000 0.218 441 G HA3 -0.116 3.844 3.960 0.000 0.000 0.218 441 G C 1.577 176.395 174.900 -0.136 0.000 1.140 441 G CA 0.717 45.608 45.100 -0.347 0.000 0.775 441 G HN 0.652 nan 8.290 nan 0.000 0.545 442 A N 0.133 122.846 122.820 -0.178 0.000 2.308 442 A HA 0.271 4.591 4.320 0.000 0.000 0.217 442 A C 1.093 178.617 177.584 -0.101 0.000 1.216 442 A CA 0.421 52.366 52.037 -0.152 0.000 0.864 442 A CB -0.121 18.704 19.000 -0.291 0.000 0.902 442 A HN 0.286 nan 8.150 nan 0.000 0.499 443 N N -0.139 118.555 118.700 -0.010 0.000 2.735 443 N HA -0.162 4.578 4.740 0.000 0.000 0.248 443 N C -0.423 175.176 175.510 0.149 0.000 1.083 443 N CA 1.361 54.480 53.050 0.114 0.000 0.703 443 N CB -1.402 37.109 38.487 0.039 0.000 1.005 443 N HN 0.806 nan 8.380 nan 0.000 0.550 444 Q N -0.848 119.033 119.800 0.135 0.000 2.456 444 Q HA 0.715 5.055 4.340 0.000 0.000 0.284 444 Q C -0.930 175.238 176.000 0.280 0.000 1.061 444 Q CA -0.807 55.115 55.803 0.198 0.000 0.799 444 Q CB 2.835 31.550 28.738 -0.038 0.000 1.445 444 Q HN 0.030 nan 8.270 nan 0.000 0.411 445 V N 0.532 120.756 119.914 0.517 0.000 2.735 445 V HA 0.838 4.958 4.120 0.000 0.000 0.310 445 V C -1.076 175.349 176.094 0.551 0.000 1.061 445 V CA -0.730 61.837 62.300 0.446 0.000 0.913 445 V CB 1.799 33.840 31.823 0.363 0.000 1.005 445 V HN 0.821 nan 8.190 nan 0.000 0.428 446 A N 3.825 126.938 122.820 0.489 0.000 2.319 446 A HA 0.819 5.139 4.320 0.000 0.000 0.310 446 A C -0.816 176.872 177.584 0.173 0.000 1.152 446 A CA -0.505 51.689 52.037 0.262 0.000 0.783 446 A CB 1.298 20.572 19.000 0.458 0.000 1.184 446 A HN 0.665 nan 8.150 nan 0.000 0.474 447 V N 2.818 122.733 119.914 0.001 0.000 2.439 447 V HA 0.354 4.474 4.120 0.000 0.000 0.282 447 V C -0.980 175.058 176.094 -0.094 0.000 1.039 447 V CA -0.207 62.168 62.300 0.125 0.000 0.913 447 V CB 0.586 32.592 31.823 0.304 0.000 0.983 447 V HN 0.734 nan 8.190 nan 0.000 0.460 448 Y N 3.614 123.962 120.300 0.080 0.000 2.328 448 Y HA 0.588 5.138 4.550 0.000 0.000 0.336 448 Y C 0.478 176.400 175.900 0.038 0.000 0.960 448 Y CA -0.670 57.462 58.100 0.054 0.000 1.134 448 Y CB 1.569 40.069 38.460 0.066 0.000 1.166 448 Y HN 0.474 nan 8.280 nan 0.000 0.464 449 R N 1.828 122.407 120.500 0.131 0.000 2.368 449 R HA 0.746 5.086 4.340 0.000 0.000 0.302 449 R C -0.488 175.842 176.300 0.051 0.000 1.002 449 R CA -0.858 55.279 56.100 0.060 0.000 0.929 449 R CB 1.268 31.594 30.300 0.042 0.000 1.073 449 R HN 0.782 nan 8.270 nan 0.000 0.464 450 A N 3.288 126.123 122.820 0.026 0.000 2.366 450 A HA 0.221 4.541 4.320 0.000 0.000 0.272 450 A C -0.370 177.117 177.584 -0.161 0.000 1.135 450 A CA -0.316 51.712 52.037 -0.016 0.000 0.804 450 A CB 0.607 19.648 19.000 0.068 0.000 1.064 450 A HN 0.533 nan 8.150 nan 0.000 0.499 451 Q N 1.164 120.827 119.800 -0.229 0.000 2.445 451 Q HA 0.521 4.861 4.340 0.000 0.000 0.281 451 Q C -2.321 173.415 176.000 -0.440 0.000 1.101 451 Q CA -1.711 53.912 55.803 -0.300 0.000 0.833 451 Q CB 0.173 28.830 28.738 -0.134 0.000 1.416 451 Q HN 0.568 nan 8.270 nan 0.000 0.451 452 P HA 0.000 nan 4.420 nan 0.000 0.216 452 P CA 0.000 62.949 63.100 -0.252 0.000 0.800 452 P CB 0.000 31.623 31.700 -0.128 0.000 0.726