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 1tye_1_A 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 RAEQMASYFG 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 0.000 176.876 176.870 0.010 0.000 1.165 1 L CA 0.000 54.858 54.840 0.031 0.000 0.813 1 L CB 0.000 42.077 42.059 0.030 0.000 0.961 2 N N 1.430 120.123 118.700 -0.011 0.000 2.440 2 N HA 0.325 5.065 4.740 0.000 0.000 0.265 2 N C -0.845 174.673 175.510 0.013 0.000 1.239 2 N CA 0.141 53.189 53.050 -0.003 0.000 0.909 2 N CB 0.134 38.615 38.487 -0.010 0.000 1.066 2 N HN 0.361 nan 8.380 nan 0.000 0.474 3 L N 2.547 123.794 121.223 0.041 0.000 2.278 3 L HA 0.181 4.521 4.340 0.000 0.000 0.287 3 L C 0.284 177.237 176.870 0.137 0.000 1.072 3 L CA -0.713 54.188 54.840 0.101 0.000 0.819 3 L CB 0.594 42.722 42.059 0.115 0.000 1.176 3 L HN 0.577 nan 8.230 nan 0.000 0.435 4 D N 6.518 126.998 120.400 0.132 0.000 2.389 4 D HA 0.035 4.675 4.640 0.000 0.000 0.263 4 D C -1.569 174.840 176.300 0.182 0.000 1.255 4 D CA -1.361 52.707 54.000 0.114 0.000 0.914 4 D CB 0.939 41.777 40.800 0.064 0.000 1.116 4 D HN 0.272 nan 8.370 nan 0.000 0.502 5 P HA 0.037 nan 4.420 nan 0.000 0.249 5 P C 0.231 177.575 177.300 0.073 0.000 1.544 5 P CA 0.030 63.256 63.100 0.211 0.000 0.932 5 P CB 0.514 32.316 31.700 0.170 0.000 1.524 6 V N -0.815 119.108 119.914 0.015 0.000 3.141 6 V HA 0.119 4.239 4.120 0.000 0.000 0.225 6 V C 1.870 177.905 176.094 -0.098 0.000 1.352 6 V CA 0.399 62.672 62.300 -0.045 0.000 1.316 6 V CB -0.391 31.414 31.823 -0.029 0.000 1.126 6 V HN 0.078 nan 8.190 nan 0.000 0.493 7 Q N 2.028 121.788 119.800 -0.067 0.000 2.244 7 Q HA 0.253 4.593 4.340 0.000 0.000 0.239 7 Q C 0.131 176.073 176.000 -0.097 0.000 0.890 7 Q CA -0.219 55.536 55.803 -0.080 0.000 0.964 7 Q CB -0.121 28.599 28.738 -0.029 0.000 1.076 7 Q HN 0.722 nan 8.270 nan 0.000 0.447 8 L N -1.436 119.675 121.223 -0.186 0.000 2.397 8 L HA 0.461 4.801 4.340 0.000 0.000 0.271 8 L C -0.393 176.275 176.870 -0.336 0.000 1.148 8 L CA -0.527 54.161 54.840 -0.252 0.000 0.825 8 L CB 0.915 42.736 42.059 -0.397 0.000 1.117 8 L HN -0.133 nan 8.230 nan 0.000 0.456 9 T N 3.186 117.687 114.554 -0.087 0.000 2.882 9 T HA 0.564 4.914 4.350 0.000 0.000 0.287 9 T C -0.444 174.388 174.700 0.220 0.000 0.992 9 T CA -0.047 62.050 62.100 -0.006 0.000 1.076 9 T CB 0.829 69.864 68.868 0.279 0.000 0.961 9 T HN 0.301 nan 8.240 nan 0.000 0.490 10 F N 1.905 121.853 119.950 -0.003 0.000 2.495 10 F HA 0.554 5.081 4.527 0.000 0.000 0.327 10 F C -0.381 175.416 175.800 -0.005 0.000 1.103 10 F CA -2.039 56.020 58.000 0.097 0.000 0.949 10 F CB 1.151 40.208 39.000 0.095 0.000 1.142 10 F HN 0.505 nan 8.300 nan 0.000 0.457 11 Y N 0.802 121.317 120.300 0.359 0.000 2.485 11 Y HA 0.748 5.298 4.550 0.000 0.000 0.345 11 Y C -0.070 175.877 175.900 0.078 0.000 0.998 11 Y CA -0.914 57.324 58.100 0.229 0.000 1.059 11 Y CB 2.196 40.857 38.460 0.335 0.000 1.234 11 Y HN 0.691 nan 8.280 nan 0.000 0.461 12 A N 0.981 123.746 122.820 -0.093 0.000 2.556 12 A HA 0.915 5.235 4.320 0.000 0.000 0.294 12 A C -0.710 176.118 177.584 -1.261 0.000 1.091 12 A CA -0.205 51.490 52.037 -0.569 0.000 0.704 12 A CB 1.455 20.297 19.000 -0.263 0.000 1.300 12 A HN 0.892 nan 8.150 nan 0.000 0.406 13 G N -0.233 107.708 108.800 -1.432 0.000 2.818 13 G HA2 0.793 4.753 3.960 0.000 0.000 0.286 13 G HA3 0.793 4.753 3.960 0.000 0.000 0.286 13 G C -2.960 171.655 174.900 -0.476 0.000 1.364 13 G CA -1.587 42.779 45.100 -1.224 0.000 0.938 13 G HN 0.605 nan 8.290 nan 0.000 0.490 14 P HA -0.004 nan 4.420 nan 0.000 0.268 14 P C -0.233 177.045 177.300 -0.036 0.000 1.208 14 P CA -0.230 62.823 63.100 -0.078 0.000 0.777 14 P CB 0.709 32.425 31.700 0.026 0.000 0.875 15 N N 0.468 119.155 118.700 -0.021 0.000 2.454 15 N HA 0.043 4.783 4.740 0.000 0.000 0.254 15 N C 1.388 176.913 175.510 0.025 0.000 1.228 15 N CA 1.030 54.078 53.050 -0.003 0.000 0.900 15 N CB -0.049 38.437 38.487 -0.003 0.000 1.089 15 N HN 0.719 nan 8.380 nan 0.000 0.449 16 G N 1.249 110.071 108.800 0.037 0.000 2.220 16 G HA2 -0.361 3.599 3.960 0.000 0.000 0.269 16 G HA3 -0.361 3.599 3.960 0.000 0.000 0.269 16 G C 0.868 175.807 174.900 0.066 0.000 0.977 16 G CA 0.896 46.025 45.100 0.049 0.000 0.634 16 G HN 0.775 nan 8.290 nan 0.000 0.539 17 S N -0.359 115.396 115.700 0.092 0.000 2.561 17 S HA 0.192 4.662 4.470 0.000 0.000 0.225 17 S C 1.152 175.839 174.600 0.146 0.000 0.977 17 S CA 1.280 59.557 58.200 0.128 0.000 0.926 17 S CB -0.162 63.154 63.200 0.193 0.000 0.769 17 S HN 1.116 nan 8.310 nan 0.000 0.533 18 Q N -0.190 119.711 119.800 0.169 0.000 2.468 18 Q HA -0.185 4.155 4.340 0.000 0.000 0.289 18 Q C -0.521 175.650 176.000 0.285 0.000 1.299 18 Q CA 0.421 56.364 55.803 0.233 0.000 0.838 18 Q CB -2.389 26.395 28.738 0.076 0.000 1.195 18 Q HN 0.744 nan 8.270 nan 0.000 0.456 19 F N 0.470 120.487 119.950 0.111 0.000 2.578 19 F HA 0.285 4.812 4.527 0.000 0.000 0.376 19 F C 1.489 177.353 175.800 0.107 0.000 1.085 19 F CA 2.008 60.060 58.000 0.086 0.000 1.260 19 F CB 0.580 39.557 39.000 -0.039 0.000 1.095 19 F HN 0.329 nan 8.300 nan 0.000 0.573 20 G N 4.980 113.604 108.800 -0.294 0.000 2.159 20 G HA2 -0.376 3.584 3.960 0.000 0.000 0.227 20 G HA3 -0.376 3.584 3.960 0.000 0.000 0.227 20 G C 0.669 175.618 174.900 0.081 0.000 0.986 20 G CA 0.187 45.194 45.100 -0.154 0.000 0.651 20 G HN 0.789 nan 8.290 nan 0.000 0.523 21 F N 2.405 122.370 119.950 0.025 0.000 2.216 21 F HA 0.243 4.770 4.527 0.000 0.000 0.300 21 F C 1.498 177.357 175.800 0.099 0.000 1.085 21 F CA 2.172 60.213 58.000 0.069 0.000 1.326 21 F CB 0.181 39.095 39.000 -0.143 0.000 1.027 21 F HN 0.647 nan 8.300 nan 0.000 0.497 22 S N -0.312 115.456 115.700 0.113 0.000 2.607 22 S HA 0.745 5.215 4.470 0.000 0.000 0.273 22 S C -1.300 173.255 174.600 -0.075 0.000 1.148 22 S CA -0.478 57.723 58.200 0.002 0.000 0.833 22 S CB 2.318 65.553 63.200 0.058 0.000 1.130 22 S HN 0.311 nan 8.310 nan 0.000 0.470 23 L N -1.264 119.893 121.223 -0.111 0.000 2.794 23 L HA 0.974 5.314 4.340 0.000 0.000 0.261 23 L C -1.524 175.233 176.870 -0.188 0.000 0.989 23 L CA -0.545 54.196 54.840 -0.166 0.000 0.900 23 L CB 0.925 42.856 42.059 -0.213 0.000 1.473 23 L HN 0.857 nan 8.230 nan 0.000 0.414 24 D N -0.476 119.790 120.400 -0.223 0.000 2.648 24 D HA 0.629 5.269 4.640 0.000 0.000 0.244 24 D C -1.717 174.447 176.300 -0.226 0.000 1.244 24 D CA -0.243 53.628 54.000 -0.215 0.000 0.772 24 D CB 1.522 42.296 40.800 -0.043 0.000 1.379 24 D HN 0.395 nan 8.370 nan 0.000 0.428 25 F N 1.401 121.382 119.950 0.051 0.000 2.412 25 F HA 0.344 4.871 4.527 0.000 0.000 0.348 25 F C 0.470 176.342 175.800 0.121 0.000 1.102 25 F CA -0.121 57.915 58.000 0.060 0.000 1.196 25 F CB 0.850 39.864 39.000 0.023 0.000 1.144 25 F HN 0.245 nan 8.300 nan 0.000 0.541 26 H N 2.916 122.103 119.070 0.195 0.000 2.638 26 H HA 0.396 4.952 4.556 0.000 0.000 0.317 26 H C -1.145 174.241 175.328 0.096 0.000 1.006 26 H CA -1.043 55.075 56.048 0.116 0.000 1.222 26 H CB 0.796 30.610 29.762 0.087 0.000 1.419 26 H HN 0.488 nan 8.280 nan 0.000 0.489 27 K N 5.776 125.997 120.400 -0.298 0.000 2.296 27 K HA 0.153 4.473 4.320 0.000 0.000 0.257 27 K C -0.355 175.972 176.600 -0.456 0.000 1.088 27 K CA -0.770 55.352 56.287 -0.276 0.000 0.980 27 K CB 0.542 32.952 32.500 -0.149 0.000 1.430 27 K HN 0.710 nan 8.250 nan 0.000 0.441 28 D N 0.803 120.900 120.400 -0.505 0.000 2.349 28 D HA -0.105 4.535 4.640 0.000 0.000 0.239 28 D C 1.107 177.300 176.300 -0.178 0.000 1.315 28 D CA -0.071 53.669 54.000 -0.433 0.000 0.937 28 D CB 0.553 41.259 40.800 -0.156 0.000 1.133 28 D HN 0.363 nan 8.370 nan 0.000 0.489 29 S N -1.619 114.023 115.700 -0.097 0.000 2.500 29 S HA -0.180 4.290 4.470 0.000 0.000 0.239 29 S C 1.290 175.932 174.600 0.070 0.000 0.989 29 S CA 0.799 58.970 58.200 -0.048 0.000 0.951 29 S CB -0.592 62.577 63.200 -0.051 0.000 0.759 29 S HN 0.513 nan 8.310 nan 0.000 0.523 30 H N 0.321 119.348 119.070 -0.071 0.000 2.431 30 H HA 0.450 5.006 4.556 0.000 0.000 0.335 30 H C 1.924 177.216 175.328 -0.060 0.000 1.259 30 H CA 0.366 56.384 56.048 -0.049 0.000 1.907 30 H CB 0.162 29.910 29.762 -0.023 0.000 1.549 30 H HN 0.496 nan 8.280 nan 0.000 0.633 31 G N -0.732 108.117 108.800 0.082 0.000 4.251 31 G HA2 0.045 4.005 3.960 0.000 0.000 0.147 31 G HA3 0.045 4.005 3.960 0.000 0.000 0.147 31 G C 0.144 175.048 174.900 0.007 0.000 1.014 31 G CA -0.422 44.679 45.100 0.002 0.000 0.831 31 G HN 0.095 nan 8.290 nan 0.000 0.539 32 R N -0.210 120.320 120.500 0.049 0.000 2.896 32 R HA 0.547 4.887 4.340 0.000 0.000 0.283 32 R C -0.527 175.807 176.300 0.056 0.000 1.201 32 R CA -0.023 56.120 56.100 0.072 0.000 1.178 32 R CB 0.633 31.006 30.300 0.121 0.000 1.152 32 R HN -0.002 nan 8.270 nan 0.000 0.590 33 V N 0.154 120.130 119.914 0.103 0.000 2.604 33 V HA 0.650 4.770 4.120 0.000 0.000 0.305 33 V C -0.493 175.721 176.094 0.200 0.000 1.043 33 V CA -0.481 61.881 62.300 0.103 0.000 0.888 33 V CB 1.633 33.478 31.823 0.036 0.000 0.995 33 V HN 0.918 nan 8.190 nan 0.000 0.429 34 A N 5.056 128.005 122.820 0.215 0.000 2.485 34 A HA 0.940 5.260 4.320 0.000 0.000 0.292 34 A C -1.141 176.581 177.584 0.229 0.000 1.147 34 A CA -0.681 51.503 52.037 0.244 0.000 0.750 34 A CB 1.557 20.709 19.000 0.253 0.000 1.331 34 A HN 0.700 nan 8.150 nan 0.000 0.419 35 I N 1.416 122.057 120.570 0.119 0.000 2.382 35 I HA 0.318 4.488 4.170 0.000 0.000 0.285 35 I C -0.756 175.347 176.117 -0.023 0.000 1.007 35 I CA -0.865 60.429 61.300 -0.010 0.000 1.142 35 I CB 1.712 39.622 38.000 -0.150 0.000 1.289 35 I HN 0.295 nan 8.210 nan 0.000 0.453 36 V N 7.104 127.003 119.914 -0.024 0.000 2.455 36 V HA 0.254 4.374 4.120 0.000 0.000 0.273 36 V C 0.219 176.264 176.094 -0.082 0.000 1.045 36 V CA -0.459 61.825 62.300 -0.026 0.000 0.976 36 V CB 1.136 32.941 31.823 -0.031 0.000 0.993 36 V HN 0.423 nan 8.190 nan 0.000 0.475 37 V N 3.918 123.794 119.914 -0.062 0.000 2.487 37 V HA 0.719 4.839 4.120 0.000 0.000 0.298 37 V C 0.664 176.700 176.094 -0.096 0.000 1.028 37 V CA -0.378 61.797 62.300 -0.209 0.000 0.860 37 V CB 1.848 33.330 31.823 -0.568 0.000 0.991 37 V HN 0.978 nan 8.190 nan 0.000 0.427 38 G N 2.828 111.567 108.800 -0.101 0.000 2.332 38 G HA2 0.628 4.588 3.960 0.000 0.000 0.310 38 G HA3 0.628 4.588 3.960 0.000 0.000 0.310 38 G C -0.274 174.646 174.900 0.034 0.000 1.123 38 G CA -0.178 44.919 45.100 -0.005 0.000 0.873 38 G HN 1.163 nan 8.290 nan 0.000 0.460 39 A N 4.632 127.526 122.820 0.123 0.000 2.763 39 A HA 0.665 4.985 4.320 0.000 0.000 0.325 39 A C -1.509 176.120 177.584 0.076 0.000 1.209 39 A CA -1.272 50.875 52.037 0.184 0.000 0.764 39 A CB 1.621 20.894 19.000 0.455 0.000 1.120 39 A HN 0.467 nan 8.150 nan 0.000 0.463 40 P HA -0.082 nan 4.420 nan 0.000 0.239 40 P C 0.363 177.632 177.300 -0.051 0.000 1.184 40 P CA 0.750 63.782 63.100 -0.112 0.000 0.760 40 P CB 0.308 31.824 31.700 -0.306 0.000 0.884 41 R N -1.339 119.155 120.500 -0.009 0.000 2.549 41 R HA 0.191 4.531 4.340 0.000 0.000 0.344 41 R C 0.263 176.592 176.300 0.049 0.000 0.979 41 R CA 0.062 56.166 56.100 0.006 0.000 1.140 41 R CB -0.288 30.004 30.300 -0.013 0.000 1.377 41 R HN 0.077 nan 8.270 nan 0.000 0.541 42 T N 2.812 117.417 114.554 0.084 0.000 2.908 42 T HA 0.047 4.397 4.350 0.000 0.000 0.301 42 T C 0.417 175.157 174.700 0.068 0.000 1.019 42 T CA 0.078 62.249 62.100 0.118 0.000 1.152 42 T CB 0.525 69.493 68.868 0.167 0.000 0.966 42 T HN -0.161 nan 8.240 nan 0.000 0.540 43 L N 3.344 124.607 121.223 0.066 0.000 2.426 43 L HA 0.432 4.772 4.340 0.000 0.000 0.271 43 L C 1.153 178.044 176.870 0.035 0.000 1.169 43 L CA 0.366 55.232 54.840 0.044 0.000 0.836 43 L CB 0.157 42.241 42.059 0.041 0.000 1.112 43 L HN 0.812 nan 8.230 nan 0.000 0.465 44 G N 2.829 111.643 108.800 0.023 0.000 2.502 44 G HA2 0.460 4.420 3.960 0.000 0.000 0.305 44 G HA3 0.460 4.420 3.960 0.000 0.000 0.305 44 G C -2.004 172.906 174.900 0.016 0.000 1.190 44 G CA -0.974 44.135 45.100 0.014 0.000 0.933 44 G HN 0.590 nan 8.290 nan 0.000 0.503 45 P HA -0.063 nan 4.420 nan 0.000 0.229 45 P C 1.639 178.948 177.300 0.014 0.000 1.150 45 P CA 1.378 64.486 63.100 0.013 0.000 0.765 45 P CB 0.270 31.975 31.700 0.008 0.000 0.783 46 S N -2.486 113.224 115.700 0.016 0.000 2.575 46 S HA 0.025 4.495 4.470 0.000 0.000 0.215 46 S C 0.587 175.199 174.600 0.019 0.000 0.966 46 S CA -0.100 58.111 58.200 0.018 0.000 0.911 46 S CB -0.547 62.666 63.200 0.021 0.000 0.780 46 S HN 0.002 nan 8.310 nan 0.000 0.514 47 Q N 0.241 120.052 119.800 0.020 0.000 2.493 47 Q HA -0.163 4.177 4.340 0.000 0.000 0.278 47 Q C -0.375 175.637 176.000 0.020 0.000 1.216 47 Q CA 1.166 56.981 55.803 0.020 0.000 0.875 47 Q CB -2.220 26.529 28.738 0.017 0.000 1.262 47 Q HN 0.945 nan 8.270 nan 0.000 0.468 48 E N 0.147 120.361 120.200 0.023 0.000 2.293 48 E HA 0.317 4.667 4.350 0.000 0.000 0.270 48 E C -0.853 175.763 176.600 0.028 0.000 0.879 48 E CA -0.565 55.850 56.400 0.025 0.000 0.756 48 E CB 1.186 30.905 29.700 0.031 0.000 1.208 48 E HN 0.116 nan 8.360 nan 0.000 0.428 49 E N 2.506 122.721 120.200 0.025 0.000 2.341 49 E HA -0.003 4.347 4.350 0.000 0.000 0.256 49 E C 0.333 176.955 176.600 0.037 0.000 1.125 49 E CA 0.497 56.913 56.400 0.026 0.000 0.939 49 E CB 0.485 30.194 29.700 0.014 0.000 0.991 49 E HN 0.576 nan 8.360 nan 0.000 0.458 50 T N 0.005 114.576 114.554 0.029 0.000 2.959 50 T HA 0.365 4.715 4.350 0.000 0.000 0.254 50 T C 0.911 175.608 174.700 -0.005 0.000 1.003 50 T CA 0.063 62.178 62.100 0.024 0.000 0.950 50 T CB 0.691 69.563 68.868 0.007 0.000 1.090 50 T HN 0.646 nan 8.240 nan 0.000 0.503 51 G N -0.365 108.433 108.800 -0.004 0.000 2.710 51 G HA2 0.423 4.383 3.960 0.000 0.000 0.668 51 G HA3 0.423 4.383 3.960 0.000 0.000 0.668 51 G C -0.198 174.676 174.900 -0.043 0.000 1.320 51 G CA -0.493 44.594 45.100 -0.022 0.000 0.860 51 G HN 1.571 nan 8.290 nan 0.000 0.538 52 G N -2.321 106.452 108.800 -0.044 0.000 2.489 52 G HA2 0.721 4.681 3.960 0.000 0.000 0.291 52 G HA3 0.721 4.681 3.960 0.000 0.000 0.291 52 G C -1.357 173.491 174.900 -0.088 0.000 1.487 52 G CA 0.429 45.473 45.100 -0.092 0.000 0.795 52 G HN 1.703 nan 8.290 nan 0.000 0.513 53 V N 0.144 119.967 119.914 -0.151 0.000 2.628 53 V HA 0.780 4.900 4.120 0.000 0.000 0.306 53 V C -1.015 174.903 176.094 -0.294 0.000 1.045 53 V CA -0.674 61.588 62.300 -0.064 0.000 0.905 53 V CB 1.608 33.522 31.823 0.153 0.000 0.997 53 V HN 0.594 nan 8.190 nan 0.000 0.436 54 F N 3.546 123.558 119.950 0.103 0.000 2.540 54 F HA 0.646 5.173 4.527 0.000 0.000 0.317 54 F C -0.436 175.413 175.800 0.082 0.000 1.104 54 F CA -0.720 57.366 58.000 0.143 0.000 0.913 54 F CB 1.966 41.164 39.000 0.331 0.000 1.170 54 F HN 0.256 nan 8.300 nan 0.000 0.450 55 L N 4.336 125.707 121.223 0.247 0.000 2.295 55 L HA 0.521 4.861 4.340 0.000 0.000 0.281 55 L C -1.097 175.887 176.870 0.191 0.000 1.018 55 L CA -0.579 54.354 54.840 0.155 0.000 0.841 55 L CB 0.315 42.425 42.059 0.085 0.000 1.218 55 L HN 0.661 nan 8.230 nan 0.000 0.424 56 c N 7.290 125.978 118.600 0.146 0.000 2.265 56 c HA 0.513 5.083 4.570 0.000 0.000 0.332 56 c C -1.957 172.232 174.090 0.164 0.000 1.248 56 c CA -1.140 55.264 56.329 0.125 0.000 1.727 56 c CB 0.348 42.754 42.510 -0.172 0.000 2.348 56 c HN 0.618 nan 8.230 nan 0.000 0.519 57 P HA 0.024 nan 4.420 nan 0.000 0.276 57 P C -0.346 177.205 177.300 0.419 0.000 1.244 57 P CA -0.413 62.855 63.100 0.279 0.000 0.801 57 P CB 0.846 32.674 31.700 0.215 0.000 1.006 58 W N 4.711 126.139 121.300 0.213 0.000 2.253 58 W HA 0.192 4.852 4.660 0.000 0.000 0.322 58 W C -0.338 176.313 176.519 0.220 0.000 1.342 58 W CA -0.426 57.074 57.345 0.258 0.000 1.218 58 W CB 0.534 30.108 29.460 0.189 0.000 1.205 58 W HN 0.449 nan 8.180 nan 0.000 0.551 59 R N 4.645 124.705 120.500 -0.732 0.000 2.725 59 R HA 0.407 4.747 4.340 0.000 0.000 0.276 59 R C 0.021 175.660 176.300 -1.103 0.000 1.189 59 R CA -0.199 55.361 56.100 -0.900 0.000 1.083 59 R CB 0.387 30.481 30.300 -0.344 0.000 1.262 59 R HN 0.422 nan 8.270 nan 0.000 0.415 60 A N 2.768 124.893 122.820 -1.159 0.000 2.104 60 A HA -0.288 4.032 4.320 0.000 0.000 0.223 60 A C 1.840 179.190 177.584 -0.390 0.000 1.164 60 A CA 1.971 53.621 52.037 -0.645 0.000 0.659 60 A CB -0.463 18.353 19.000 -0.306 0.000 0.808 60 A HN 0.911 nan 8.150 nan 0.000 0.465 61 E N -0.921 119.049 120.200 -0.383 0.000 2.051 61 E HA 0.269 4.619 4.350 0.000 0.000 0.189 61 E C 1.451 177.845 176.600 -0.343 0.000 0.979 61 E CA 1.065 57.294 56.400 -0.285 0.000 0.803 61 E CB -1.086 28.484 29.700 -0.216 0.000 0.761 61 E HN 1.135 nan 8.360 nan 0.000 0.451 62 G N 1.083 109.576 108.800 -0.511 0.000 2.496 62 G HA2 0.021 3.981 3.960 0.000 0.000 0.243 62 G HA3 0.021 3.981 3.960 0.000 0.000 0.243 62 G C 0.650 175.266 174.900 -0.474 0.000 1.176 62 G CA 0.832 45.412 45.100 -0.867 0.000 0.940 62 G HN 1.212 nan 8.290 nan 0.000 0.573 63 G N -1.426 107.190 108.800 -0.307 0.000 2.568 63 G HA2 0.258 4.218 3.960 0.000 0.000 0.222 63 G HA3 0.258 4.218 3.960 0.000 0.000 0.222 63 G C 0.043 174.932 174.900 -0.018 0.000 1.321 63 G CA 1.069 46.104 45.100 -0.109 0.000 0.893 63 G HN 1.796 nan 8.290 nan 0.000 0.569 64 Q N -0.792 118.984 119.800 -0.040 0.000 2.479 64 Q HA 0.488 4.828 4.340 0.000 0.000 0.267 64 Q C 0.354 176.406 176.000 0.088 0.000 1.071 64 Q CA 0.917 56.694 55.803 -0.043 0.000 0.935 64 Q CB 0.483 29.195 28.738 -0.043 0.000 1.295 64 Q HN 0.894 nan 8.270 nan 0.000 0.476 65 c N 2.105 120.764 118.600 0.099 0.000 2.994 65 c HA 0.636 5.206 4.570 0.000 0.000 0.304 65 c C -2.262 172.027 174.090 0.332 0.000 1.273 65 c CA -1.535 54.943 56.329 0.248 0.000 1.537 65 c CB 1.425 44.141 42.510 0.343 0.000 2.001 65 c HN 0.728 nan 8.230 nan 0.000 0.471 66 P HA 0.238 nan 4.420 nan 0.000 0.272 66 P C -0.534 176.934 177.300 0.279 0.000 1.223 66 P CA 0.119 63.356 63.100 0.228 0.000 0.784 66 P CB 0.538 32.317 31.700 0.132 0.000 0.923 67 S N 1.177 116.936 115.700 0.100 0.000 2.554 67 S HA 0.365 4.835 4.470 0.000 0.000 0.278 67 S C -0.508 173.970 174.600 -0.203 0.000 1.242 67 S CA -0.573 57.483 58.200 -0.240 0.000 1.051 67 S CB -0.122 62.878 63.200 -0.333 0.000 0.986 67 S HN 0.297 nan 8.310 nan 0.000 0.502 68 L N 6.527 127.591 121.223 -0.266 0.000 2.268 68 L HA 0.442 4.782 4.340 0.000 0.000 0.289 68 L C -0.614 175.995 176.870 -0.434 0.000 1.064 68 L CA -0.019 54.651 54.840 -0.282 0.000 0.824 68 L CB 0.077 42.031 42.059 -0.176 0.000 1.202 68 L HN 0.632 nan 8.230 nan 0.000 0.433 69 L N 5.319 126.276 121.223 -0.443 0.000 2.490 69 L HA 0.173 4.513 4.340 0.000 0.000 0.274 69 L C -0.600 175.864 176.870 -0.676 0.000 1.201 69 L CA 0.632 55.232 54.840 -0.400 0.000 0.869 69 L CB -0.070 41.834 42.059 -0.258 0.000 1.123 69 L HN 0.440 nan 8.230 nan 0.000 0.484 70 F N 0.088 119.934 119.950 -0.174 0.000 2.645 70 F HA 0.222 4.749 4.527 0.000 0.000 0.310 70 F C 0.113 175.791 175.800 -0.203 0.000 1.102 70 F CA -1.122 56.741 58.000 -0.227 0.000 0.952 70 F CB 1.235 39.976 39.000 -0.432 0.000 1.326 70 F HN 0.351 nan 8.300 nan 0.000 0.456 71 D N 2.093 122.533 120.400 0.068 0.000 2.363 71 D HA 0.125 4.765 4.640 0.000 0.000 0.263 71 D C 0.293 176.577 176.300 -0.026 0.000 1.258 71 D CA 0.344 54.373 54.000 0.048 0.000 0.907 71 D CB 0.872 41.760 40.800 0.147 0.000 1.107 71 D HN 0.252 nan 8.370 nan 0.000 0.495 72 L N 4.228 125.440 121.223 -0.018 0.000 2.640 72 L HA 0.105 4.445 4.340 0.000 0.000 0.230 72 L C 1.115 177.994 176.870 0.015 0.000 1.123 72 L CA 0.413 55.237 54.840 -0.026 0.000 0.900 72 L CB -0.727 41.315 42.059 -0.028 0.000 1.146 72 L HN 0.403 nan 8.230 nan 0.000 0.484 73 R N -0.806 119.714 120.500 0.032 0.000 2.604 73 R HA 0.404 4.744 4.340 0.000 0.000 0.287 73 R C -0.931 175.393 176.300 0.040 0.000 0.970 73 R CA -0.851 55.270 56.100 0.034 0.000 0.946 73 R CB 1.095 31.409 30.300 0.024 0.000 1.127 73 R HN -0.141 nan 8.270 nan 0.000 0.473 74 D N 1.783 122.192 120.400 0.015 0.000 2.423 74 D HA 0.058 4.698 4.640 0.000 0.000 0.238 74 D C -0.314 175.962 176.300 -0.039 0.000 1.142 74 D CA 0.486 54.465 54.000 -0.035 0.000 0.884 74 D CB 0.701 41.434 40.800 -0.112 0.000 1.199 74 D HN 0.395 nan 8.370 nan 0.000 0.438 75 E N -0.005 120.163 120.200 -0.053 0.000 2.244 75 E HA 0.640 4.990 4.350 0.000 0.000 0.266 75 E C -0.722 175.830 176.600 -0.081 0.000 0.914 75 E CA -0.836 55.552 56.400 -0.020 0.000 0.794 75 E CB 1.889 31.626 29.700 0.061 0.000 1.210 75 E HN 0.175 nan 8.360 nan 0.000 0.414 76 T N 2.089 116.613 114.554 -0.050 0.000 3.071 76 T HA 0.471 4.821 4.350 0.000 0.000 0.311 76 T C -0.940 173.746 174.700 -0.023 0.000 1.042 76 T CA -0.938 61.122 62.100 -0.067 0.000 1.028 76 T CB 0.988 69.809 68.868 -0.078 0.000 1.068 76 T HN 0.194 nan 8.240 nan 0.000 0.451 77 R N 2.444 122.936 120.500 -0.013 0.000 2.626 77 R HA 0.474 4.814 4.340 0.000 0.000 0.274 77 R C -1.225 175.077 176.300 0.004 0.000 1.031 77 R CA -0.856 55.248 56.100 0.007 0.000 0.898 77 R CB 1.855 32.177 30.300 0.038 0.000 1.222 77 R HN 0.541 nan 8.270 nan 0.000 0.455 78 N N 1.262 119.965 118.700 0.004 0.000 2.424 78 N HA 0.318 5.059 4.740 0.000 0.000 0.271 78 N C -0.887 174.632 175.510 0.015 0.000 0.985 78 N CA -0.319 52.734 53.050 0.004 0.000 0.921 78 N CB 2.425 40.911 38.487 -0.002 0.000 1.149 78 N HN 0.152 nan 8.380 nan 0.000 0.492 79 V N 1.729 121.657 119.914 0.023 0.000 2.325 79 V HA 0.514 4.634 4.120 0.000 0.000 0.280 79 V C 1.092 177.201 176.094 0.024 0.000 1.016 79 V CA -0.269 62.049 62.300 0.030 0.000 0.818 79 V CB 0.451 32.306 31.823 0.052 0.000 1.019 79 V HN 0.978 nan 8.190 nan 0.000 0.434 80 G N 5.404 114.213 108.800 0.016 0.000 2.601 80 G HA2 -0.313 3.647 3.960 0.000 0.000 0.306 80 G HA3 -0.313 3.647 3.960 0.000 0.000 0.306 80 G C 0.961 175.866 174.900 0.008 0.000 1.172 80 G CA 0.625 45.732 45.100 0.011 0.000 0.966 80 G HN 0.770 nan 8.290 nan 0.000 0.542 81 S N 1.493 117.197 115.700 0.008 0.000 2.540 81 S HA 0.322 4.792 4.470 0.000 0.000 0.218 81 S C 0.704 175.305 174.600 0.003 0.000 0.977 81 S CA 0.632 58.834 58.200 0.004 0.000 0.918 81 S CB 0.468 63.670 63.200 0.004 0.000 0.806 81 S HN 0.601 nan 8.310 nan 0.000 0.496 82 Q N 1.129 120.932 119.800 0.006 0.000 2.306 82 Q HA 0.438 4.778 4.340 0.000 0.000 0.265 82 Q C -1.024 174.969 176.000 -0.013 0.000 1.022 82 Q CA -0.326 55.476 55.803 -0.002 0.000 0.853 82 Q CB 1.626 30.371 28.738 0.011 0.000 1.327 82 Q HN 0.003 nan 8.270 nan 0.000 0.449 83 T N 2.641 117.173 114.554 -0.037 0.000 2.770 83 T HA 0.351 4.701 4.350 0.000 0.000 0.297 83 T C -0.725 173.903 174.700 -0.120 0.000 0.997 83 T CA -0.612 61.455 62.100 -0.055 0.000 0.949 83 T CB 0.250 69.088 68.868 -0.049 0.000 0.941 83 T HN 0.143 nan 8.240 nan 0.000 0.457 84 L N 4.833 125.985 121.223 -0.119 0.000 2.276 84 L HA 0.453 4.793 4.340 0.000 0.000 0.286 84 L C 0.343 177.045 176.870 -0.281 0.000 1.061 84 L CA -0.148 54.536 54.840 -0.260 0.000 0.807 84 L CB 0.910 42.980 42.059 0.018 0.000 1.177 84 L HN 0.676 nan 8.230 nan 0.000 0.429 85 Q N 0.946 120.437 119.800 -0.515 0.000 2.331 85 Q HA 0.723 5.063 4.340 0.000 0.000 0.272 85 Q C -0.835 174.975 176.000 -0.318 0.000 1.062 85 Q CA -0.892 54.690 55.803 -0.369 0.000 0.806 85 Q CB 2.100 30.626 28.738 -0.355 0.000 1.312 85 Q HN 0.570 nan 8.270 nan 0.000 0.431 86 T N -0.596 113.823 114.554 -0.224 0.000 2.823 86 T HA 0.711 5.061 4.350 0.000 0.000 0.279 86 T C -0.905 173.596 174.700 -0.331 0.000 0.998 86 T CA -0.522 61.587 62.100 0.014 0.000 0.994 86 T CB 0.419 69.421 68.868 0.222 0.000 0.960 86 T HN 0.411 nan 8.240 nan 0.000 0.448 87 F N 1.892 121.962 119.950 0.201 0.000 2.402 87 F HA 0.486 5.013 4.527 0.000 0.000 0.355 87 F C 1.271 177.182 175.800 0.185 0.000 1.123 87 F CA -1.079 57.016 58.000 0.159 0.000 1.021 87 F CB 2.097 41.176 39.000 0.132 0.000 1.160 87 F HN 0.589 nan 8.300 nan 0.000 0.451 88 K N 1.917 122.472 120.400 0.258 0.000 2.387 88 K HA 0.346 4.666 4.320 0.000 0.000 0.198 88 K C 0.476 177.189 176.600 0.187 0.000 1.022 88 K CA -0.140 56.273 56.287 0.211 0.000 1.128 88 K CB 0.519 33.104 32.500 0.142 0.000 0.853 88 K HN 0.592 nan 8.250 nan 0.000 0.523 89 A N 2.068 125.010 122.820 0.203 0.000 2.484 89 A HA 0.102 4.422 4.320 0.000 0.000 0.268 89 A C 0.111 177.783 177.584 0.147 0.000 1.114 89 A CA 0.047 52.168 52.037 0.140 0.000 0.780 89 A CB -0.246 18.819 19.000 0.110 0.000 1.061 89 A HN 0.508 nan 8.150 nan 0.000 0.505 90 R N 0.739 121.308 120.500 0.115 0.000 3.770 90 R HA -0.257 4.083 4.340 0.000 0.000 0.305 90 R C 1.123 177.562 176.300 0.232 0.000 1.184 90 R CA 1.208 57.377 56.100 0.115 0.000 0.823 90 R CB -2.042 28.290 30.300 0.053 0.000 1.285 90 R HN 1.059 nan 8.270 nan 0.000 0.499 91 Q N 0.267 120.206 119.800 0.232 0.000 2.364 91 Q HA -0.005 4.335 4.340 0.000 0.000 0.207 91 Q C 1.122 177.262 176.000 0.235 0.000 0.970 91 Q CA 1.089 57.050 55.803 0.262 0.000 0.888 91 Q CB 0.200 29.050 28.738 0.188 0.000 0.951 91 Q HN 0.457 nan 8.270 nan 0.000 0.469 92 G N 1.700 110.634 108.800 0.223 0.000 2.298 92 G HA2 -0.264 3.696 3.960 0.000 0.000 0.287 92 G HA3 -0.264 3.696 3.960 0.000 0.000 0.287 92 G C -0.342 174.486 174.900 -0.120 0.000 1.075 92 G CA 0.126 45.301 45.100 0.124 0.000 0.960 92 G HN 0.427 nan 8.290 nan 0.000 0.502 93 L N 0.071 121.236 121.223 -0.096 0.000 2.513 93 L HA 0.509 4.849 4.340 0.000 0.000 0.272 93 L C 1.445 178.213 176.870 -0.170 0.000 1.187 93 L CA 1.813 56.551 54.840 -0.169 0.000 0.895 93 L CB 0.524 42.432 42.059 -0.252 0.000 1.147 93 L HN 1.697 nan 8.230 nan 0.000 0.483 94 G N 3.074 111.764 108.800 -0.184 0.000 2.131 94 G HA2 -0.192 3.768 3.960 0.000 0.000 0.223 94 G HA3 -0.192 3.768 3.960 0.000 0.000 0.223 94 G C 0.691 175.527 174.900 -0.106 0.000 0.990 94 G CA 0.255 45.281 45.100 -0.124 0.000 0.671 94 G HN 1.289 nan 8.290 nan 0.000 0.521 95 A N -0.542 122.147 122.820 -0.219 0.000 2.238 95 A HA 0.667 4.987 4.320 0.000 0.000 0.208 95 A C 1.277 178.842 177.584 -0.032 0.000 1.177 95 A CA 1.786 53.675 52.037 -0.247 0.000 0.804 95 A CB 0.072 18.685 19.000 -0.646 0.000 0.823 95 A HN 2.015 nan 8.150 nan 0.000 0.482 96 S N -0.444 115.195 115.700 -0.102 0.000 2.616 96 S HA 0.474 4.944 4.470 0.000 0.000 0.276 96 S C -0.961 173.586 174.600 -0.087 0.000 1.159 96 S CA -0.012 58.130 58.200 -0.096 0.000 1.000 96 S CB 0.652 63.750 63.200 -0.171 0.000 1.117 96 S HN 1.228 nan 8.310 nan 0.000 0.464 97 V N 1.818 121.697 119.914 -0.058 0.000 2.864 97 V HA 1.047 5.167 4.120 0.000 0.000 0.314 97 V C -0.636 175.441 176.094 -0.029 0.000 1.073 97 V CA -0.732 61.540 62.300 -0.046 0.000 0.956 97 V CB 1.521 33.320 31.823 -0.040 0.000 1.023 97 V HN 1.205 nan 8.190 nan 0.000 0.435 98 V N 2.360 122.275 119.914 0.001 0.000 2.775 98 V HA 0.607 4.727 4.120 0.000 0.000 0.295 98 V C -0.501 175.652 176.094 0.099 0.000 1.226 98 V CA 0.479 62.801 62.300 0.037 0.000 0.934 98 V CB 2.134 33.970 31.823 0.023 0.000 1.056 98 V HN 1.508 nan 8.190 nan 0.000 0.436 99 S N 6.273 122.060 115.700 0.145 0.000 2.541 99 S HA 0.771 5.241 4.470 0.000 0.000 0.283 99 S C -1.318 173.473 174.600 0.318 0.000 1.196 99 S CA -0.351 57.992 58.200 0.239 0.000 1.062 99 S CB 1.108 64.507 63.200 0.331 0.000 1.009 99 S HN 1.031 nan 8.310 nan 0.000 0.502 100 W N 4.871 126.257 121.300 0.142 0.000 2.957 100 W HA 0.441 5.101 4.660 0.000 0.000 0.336 100 W C 0.884 177.467 176.519 0.106 0.000 1.087 100 W CA 0.136 57.542 57.345 0.101 0.000 1.235 100 W CB 1.110 30.611 29.460 0.070 0.000 1.399 100 W HN 0.985 nan 8.180 nan 0.000 0.480 101 S N 2.433 117.629 115.700 -0.839 0.000 1.803 101 S HA -0.485 3.985 4.470 0.000 0.000 0.531 101 S C 1.427 175.825 174.600 -0.338 0.000 0.919 101 S CA 2.414 60.224 58.200 -0.650 0.000 3.338 101 S CB -1.283 61.340 63.200 -0.962 0.000 2.326 101 S HN 0.721 nan 8.310 nan 0.000 0.574 102 D N 1.814 121.979 120.400 -0.391 0.000 2.218 102 D HA 0.048 4.688 4.640 0.000 0.000 0.204 102 D C 0.890 177.259 176.300 0.116 0.000 0.976 102 D CA 1.097 55.034 54.000 -0.104 0.000 0.853 102 D CB -0.237 40.471 40.800 -0.153 0.000 0.939 102 D HN 0.740 nan 8.370 nan 0.000 0.481 103 V N -0.786 119.245 119.914 0.195 0.000 2.769 103 V HA 0.504 4.624 4.120 0.000 0.000 0.312 103 V C -0.213 176.037 176.094 0.260 0.000 1.058 103 V CA -0.953 61.507 62.300 0.268 0.000 0.952 103 V CB 2.094 34.132 31.823 0.359 0.000 1.019 103 V HN -0.086 nan 8.190 nan 0.000 0.445 104 I N 3.674 124.335 120.570 0.152 0.000 2.525 104 I HA 0.611 4.781 4.170 0.000 0.000 0.301 104 I C -0.917 175.298 176.117 0.162 0.000 0.992 104 I CA -0.980 60.367 61.300 0.078 0.000 1.162 104 I CB 2.195 40.153 38.000 -0.071 0.000 1.332 104 I HN 0.481 nan 8.210 nan 0.000 0.458 105 V N 4.819 124.799 119.914 0.109 0.000 2.447 105 V HA 0.623 4.743 4.120 0.000 0.000 0.292 105 V C -0.147 175.943 176.094 -0.006 0.000 1.021 105 V CA -0.518 61.820 62.300 0.064 0.000 0.850 105 V CB 1.369 33.218 31.823 0.043 0.000 1.005 105 V HN 0.813 nan 8.190 nan 0.000 0.426 106 A N 3.788 126.568 122.820 -0.068 0.000 2.337 106 A HA 0.875 5.195 4.320 0.000 0.000 0.329 106 A C -0.474 177.031 177.584 -0.131 0.000 1.146 106 A CA -0.389 51.560 52.037 -0.147 0.000 0.800 106 A CB 1.332 20.163 19.000 -0.283 0.000 1.220 106 A HN 0.846 nan 8.150 nan 0.000 0.472 107 c N 0.793 119.308 118.600 -0.141 0.000 2.634 107 c HA 0.833 5.403 4.570 0.000 0.000 0.313 107 c C 0.551 174.528 174.090 -0.188 0.000 1.198 107 c CA -0.421 55.822 56.329 -0.144 0.000 1.605 107 c CB 1.287 43.682 42.510 -0.193 0.000 2.196 107 c HN 1.071 nan 8.230 nan 0.000 0.486 108 A N 2.878 125.612 122.820 -0.144 0.000 2.508 108 A HA 0.612 4.932 4.320 0.000 0.000 0.336 108 A C -1.995 175.397 177.584 -0.320 0.000 1.360 108 A CA -1.035 50.894 52.037 -0.181 0.000 0.841 108 A CB 0.158 19.190 19.000 0.053 0.000 1.136 108 A HN 0.660 nan 8.150 nan 0.000 0.489 109 P HA -0.116 nan 4.420 nan 0.000 0.218 109 P C 0.591 177.534 177.300 -0.596 0.000 1.148 109 P CA 1.124 63.785 63.100 -0.731 0.000 0.822 109 P CB 0.149 31.095 31.700 -1.258 0.000 0.784 110 W N -0.222 121.036 121.300 -0.070 0.000 3.239 110 W HA 0.303 4.963 4.660 0.000 0.000 0.368 110 W C 0.514 176.993 176.519 -0.067 0.000 1.154 110 W CA -0.416 56.876 57.345 -0.088 0.000 1.860 110 W CB -1.304 28.137 29.460 -0.031 0.000 1.094 110 W HN 0.107 nan 8.180 nan 0.000 0.643 111 Q N 1.601 121.457 119.800 0.094 0.000 2.289 111 Q HA 0.008 4.348 4.340 0.000 0.000 0.273 111 Q C -0.612 175.478 176.000 0.149 0.000 1.029 111 Q CA 0.614 56.524 55.803 0.178 0.000 0.896 111 Q CB 0.591 29.410 28.738 0.135 0.000 1.182 111 Q HN 0.157 nan 8.270 nan 0.000 0.385 112 H N 2.754 121.994 119.070 0.284 0.000 2.509 112 H HA 0.480 5.036 4.556 0.000 0.000 0.359 112 H C -1.040 174.602 175.328 0.523 0.000 1.253 112 H CA -0.102 56.139 56.048 0.322 0.000 1.373 112 H CB 0.875 30.759 29.762 0.204 0.000 1.555 112 H HN 0.718 nan 8.280 nan 0.000 0.586 113 W N 1.346 122.867 121.300 0.368 0.000 3.118 113 W HA 0.437 5.097 4.660 0.000 0.000 0.328 113 W C -2.018 174.672 176.519 0.284 0.000 1.239 113 W CA -0.459 57.067 57.345 0.301 0.000 1.176 113 W CB 2.109 31.631 29.460 0.104 0.000 1.433 113 W HN 0.696 nan 8.180 nan 0.000 0.562 114 N N 1.829 120.165 118.700 -0.606 0.000 3.043 114 N HA 0.518 5.258 4.740 0.000 0.000 0.243 114 N C -2.349 172.677 175.510 -0.806 0.000 1.347 114 N CA -0.512 52.245 53.050 -0.488 0.000 0.896 114 N CB 2.306 40.771 38.487 -0.037 0.000 1.501 114 N HN 0.122 nan 8.380 nan 0.000 0.504 115 V N 2.142 121.804 119.914 -0.421 0.000 2.760 115 V HA 0.527 4.647 4.120 0.000 0.000 0.309 115 V C -0.720 175.302 176.094 -0.120 0.000 1.077 115 V CA -0.632 61.491 62.300 -0.294 0.000 0.910 115 V CB 1.759 33.489 31.823 -0.155 0.000 1.008 115 V HN 0.468 nan 8.190 nan 0.000 0.424 116 L N 3.461 124.631 121.223 -0.088 0.000 2.346 116 L HA 0.738 5.078 4.340 0.000 0.000 0.276 116 L C -0.353 176.504 176.870 -0.022 0.000 1.006 116 L CA -0.362 54.454 54.840 -0.039 0.000 0.817 116 L CB 2.062 44.102 42.059 -0.030 0.000 1.272 116 L HN 0.763 nan 8.230 nan 0.000 0.421 117 E N 4.440 124.635 120.200 -0.008 0.000 2.528 117 E HA 0.314 4.664 4.350 0.000 0.000 0.277 117 E C -0.728 175.873 176.600 0.001 0.000 0.980 117 E CA -0.324 56.075 56.400 -0.002 0.000 0.796 117 E CB 0.826 30.527 29.700 0.002 0.000 1.427 117 E HN 0.604 nan 8.360 nan 0.000 0.394 118 K N 0.626 121.026 120.400 -0.000 0.000 1.957 118 K HA -0.212 4.108 4.320 0.000 0.000 0.155 118 K C 0.366 176.967 176.600 0.003 0.000 1.342 118 K CA 1.730 58.018 56.287 0.001 0.000 0.382 118 K CB -1.312 31.189 32.500 0.002 0.000 0.664 118 K HN 0.442 nan 8.250 nan 0.000 0.799 119 T N 2.315 116.872 114.554 0.005 0.000 3.145 119 T HA 0.131 4.481 4.350 0.000 0.000 0.255 119 T C -0.632 174.075 174.700 0.012 0.000 1.039 119 T CA 0.310 62.414 62.100 0.008 0.000 0.928 119 T CB -0.103 68.769 68.868 0.007 0.000 1.029 119 T HN 0.189 nan 8.240 nan 0.000 0.554 120 E N 1.438 121.645 120.200 0.013 0.000 2.277 120 E HA 0.500 4.850 4.350 0.000 0.000 0.266 120 E C -0.313 176.300 176.600 0.021 0.000 0.901 120 E CA -0.760 55.652 56.400 0.020 0.000 0.782 120 E CB 2.073 31.785 29.700 0.020 0.000 1.228 120 E HN 0.483 nan 8.360 nan 0.000 0.424 121 E N 0.305 120.524 120.200 0.033 0.000 2.458 121 E HA 0.765 5.115 4.350 0.000 0.000 0.250 121 E C -0.341 176.298 176.600 0.065 0.000 0.883 121 E CA -0.847 55.572 56.400 0.030 0.000 0.868 121 E CB 1.280 30.992 29.700 0.019 0.000 1.593 121 E HN 0.373 nan 8.360 nan 0.000 0.410 122 A N -0.082 122.780 122.820 0.069 0.000 2.007 122 A HA 0.384 4.704 4.320 0.000 0.000 0.200 122 A C -0.213 177.450 177.584 0.132 0.000 2.019 122 A CA 0.253 52.379 52.037 0.149 0.000 1.002 122 A CB 0.161 19.255 19.000 0.158 0.000 1.213 122 A HN 0.577 nan 8.150 nan 0.000 0.635 123 E N -1.329 118.932 120.200 0.103 0.000 2.416 123 E HA 0.339 4.689 4.350 0.000 0.000 0.280 123 E C -1.526 175.115 176.600 0.069 0.000 1.055 123 E CA -0.801 55.650 56.400 0.085 0.000 0.825 123 E CB 1.483 31.262 29.700 0.132 0.000 1.312 123 E HN 0.262 nan 8.360 nan 0.000 0.452 124 K N 1.690 122.107 120.400 0.029 0.000 2.312 124 K HA 0.322 4.642 4.320 0.000 0.000 0.287 124 K C -1.033 175.678 176.600 0.185 0.000 1.062 124 K CA 0.246 56.550 56.287 0.028 0.000 0.934 124 K CB 0.364 32.753 32.500 -0.186 0.000 1.027 124 K HN 0.624 nan 8.250 nan 0.000 0.478 125 T N 1.386 116.111 114.554 0.285 0.000 2.883 125 T HA 0.399 4.749 4.350 0.000 0.000 0.301 125 T C -2.891 171.864 174.700 0.093 0.000 1.158 125 T CA -2.193 60.080 62.100 0.289 0.000 1.007 125 T CB 1.792 70.751 68.868 0.152 0.000 1.186 125 T HN 0.273 nan 8.240 nan 0.000 0.499 126 P HA 0.228 nan 4.420 nan 0.000 0.244 126 P C 1.353 178.545 177.300 -0.180 0.000 1.769 126 P CA -0.525 62.341 63.100 -0.390 0.000 1.102 126 P CB -0.184 31.353 31.700 -0.271 0.000 1.937 127 V N 0.125 119.953 119.914 -0.143 0.000 2.871 127 V HA 0.197 4.317 4.120 0.000 0.000 0.256 127 V C 1.044 176.983 176.094 -0.257 0.000 1.082 127 V CA 0.900 63.065 62.300 -0.226 0.000 1.105 127 V CB -1.772 29.876 31.823 -0.293 0.000 0.713 127 V HN 0.603 nan 8.190 nan 0.000 0.473 128 G N -0.369 108.306 108.800 -0.208 0.000 2.829 128 G HA2 0.088 4.048 3.960 0.000 0.000 0.628 128 G HA3 0.088 4.048 3.960 0.000 0.000 0.628 128 G C -0.334 174.397 174.900 -0.281 0.000 1.412 128 G CA 0.079 45.040 45.100 -0.232 0.000 0.864 128 G HN 1.642 nan 8.290 nan 0.000 0.544 129 S N -1.871 113.652 115.700 -0.294 0.000 2.558 129 S HA 0.583 5.053 4.470 0.000 0.000 0.277 129 S C -0.633 173.708 174.600 -0.432 0.000 1.143 129 S CA 0.147 58.101 58.200 -0.410 0.000 0.865 129 S CB 1.020 63.953 63.200 -0.444 0.000 1.102 129 S HN 1.567 nan 8.310 nan 0.000 0.454 130 c N 3.335 121.646 118.600 -0.480 0.000 2.417 130 c HA 0.732 5.302 4.570 0.000 0.000 0.324 130 c C -0.985 172.794 174.090 -0.518 0.000 1.240 130 c CA -0.613 55.504 56.329 -0.355 0.000 1.632 130 c CB 0.007 42.416 42.510 -0.169 0.000 2.241 130 c HN 0.742 nan 8.230 nan 0.000 0.499 131 F N 3.650 123.437 119.950 -0.272 0.000 2.411 131 F HA 0.527 5.054 4.527 0.000 0.000 0.352 131 F C 0.132 175.835 175.800 -0.162 0.000 1.123 131 F CA -0.662 57.168 58.000 -0.284 0.000 1.044 131 F CB 0.716 39.352 39.000 -0.606 0.000 1.135 131 F HN 0.134 nan 8.300 nan 0.000 0.461 132 L N 3.464 124.700 121.223 0.020 0.000 2.307 132 L HA 0.795 5.135 4.340 0.000 0.000 0.282 132 L C -0.024 177.023 176.870 0.294 0.000 1.051 132 L CA -0.602 54.272 54.840 0.056 0.000 0.804 132 L CB 1.094 42.944 42.059 -0.347 0.000 1.197 132 L HN 0.737 nan 8.230 nan 0.000 0.431 133 A N 3.325 126.398 122.820 0.422 0.000 2.486 133 A HA 0.579 4.899 4.320 0.000 0.000 0.300 133 A C -0.700 177.046 177.584 0.271 0.000 1.048 133 A CA -0.513 51.733 52.037 0.348 0.000 0.696 133 A CB 1.876 21.001 19.000 0.208 0.000 1.278 133 A HN 0.713 nan 8.150 nan 0.000 0.405 134 Q N 2.787 122.689 119.800 0.169 0.000 2.700 134 Q HA 0.336 4.676 4.340 0.000 0.000 0.249 134 Q C -2.105 173.902 176.000 0.011 0.000 1.033 134 Q CA -2.006 53.826 55.803 0.048 0.000 0.804 134 Q CB 1.001 29.689 28.738 -0.084 0.000 1.164 134 Q HN 0.465 nan 8.270 nan 0.000 0.500 135 P HA -0.251 nan 4.420 nan 0.000 0.218 135 P C 0.535 177.817 177.300 -0.030 0.000 1.147 135 P CA 1.245 64.331 63.100 -0.023 0.000 0.827 135 P CB 0.475 32.176 31.700 0.003 0.000 0.778 136 E N -0.366 119.815 120.200 -0.032 0.000 2.008 136 E HA -0.119 4.231 4.350 0.000 0.000 0.191 136 E C 1.958 178.522 176.600 -0.059 0.000 0.986 136 E CA 1.797 58.154 56.400 -0.073 0.000 0.807 136 E CB -0.692 28.948 29.700 -0.100 0.000 0.766 136 E HN 0.202 nan 8.360 nan 0.000 0.450 137 S N -1.194 114.477 115.700 -0.049 0.000 2.607 137 S HA 0.132 4.602 4.470 0.000 0.000 0.224 137 S C 1.690 176.276 174.600 -0.023 0.000 0.969 137 S CA 0.562 58.741 58.200 -0.036 0.000 0.927 137 S CB -0.008 63.168 63.200 -0.039 0.000 0.772 137 S HN 0.514 nan 8.310 nan 0.000 0.533 138 G N 1.647 110.430 108.800 -0.029 0.000 2.196 138 G HA2 -0.319 3.641 3.960 0.000 0.000 0.268 138 G HA3 -0.319 3.641 3.960 0.000 0.000 0.268 138 G C 0.280 175.177 174.900 -0.005 0.000 0.975 138 G CA 0.271 45.351 45.100 -0.033 0.000 0.648 138 G HN 0.568 nan 8.290 nan 0.000 0.538 139 R N -0.158 120.361 120.500 0.032 0.000 2.784 139 R HA 0.485 4.825 4.340 0.000 0.000 0.266 139 R C 0.537 176.945 176.300 0.181 0.000 1.044 139 R CA 0.198 56.363 56.100 0.107 0.000 1.151 139 R CB 0.272 30.644 30.300 0.119 0.000 1.037 139 R HN 0.218 nan 8.270 nan 0.000 0.478 140 R N -0.468 120.159 120.500 0.212 0.000 2.836 140 R HA 0.752 5.092 4.340 0.000 0.000 0.269 140 R C -1.129 175.146 176.300 -0.043 0.000 1.010 140 R CA -0.962 55.231 56.100 0.155 0.000 0.930 140 R CB 2.225 32.585 30.300 0.100 0.000 1.218 140 R HN 0.762 nan 8.270 nan 0.000 0.473 141 A N 0.314 122.899 122.820 -0.392 0.000 2.586 141 A HA 0.626 4.946 4.320 0.000 0.000 0.290 141 A C -1.590 175.510 177.584 -0.806 0.000 1.086 141 A CA -0.586 50.847 52.037 -1.007 0.000 0.665 141 A CB 2.161 20.393 19.000 -1.280 0.000 1.279 141 A HN 0.648 nan 8.150 nan 0.000 0.423 142 E N -0.873 118.804 120.200 -0.871 0.000 2.393 142 E HA 0.645 4.995 4.350 0.000 0.000 0.273 142 E C -2.318 174.363 176.600 0.134 0.000 0.918 142 E CA -0.523 55.681 56.400 -0.327 0.000 0.773 142 E CB 2.189 31.785 29.700 -0.172 0.000 1.275 142 E HN 0.766 nan 8.360 nan 0.000 0.451 143 Y N 1.357 121.550 120.300 -0.178 0.000 2.330 143 Y HA 0.441 4.991 4.550 0.000 0.000 0.324 143 Y C -1.501 174.161 175.900 -0.398 0.000 1.093 143 Y CA -0.671 57.296 58.100 -0.221 0.000 1.103 143 Y CB 1.972 40.291 38.460 -0.235 0.000 1.183 143 Y HN 0.335 nan 8.280 nan 0.000 0.433 144 S N 8.529 123.630 115.700 -0.998 0.000 2.293 144 S HA 0.285 4.755 4.470 0.000 0.000 0.154 144 S C -2.047 171.909 174.600 -1.073 0.000 1.602 144 S CA -1.048 56.589 58.200 -0.938 0.000 1.260 144 S CB 0.632 63.417 63.200 -0.692 0.000 1.270 144 S HN 0.631 nan 8.310 nan 0.000 0.416 145 P HA 0.009 nan 4.420 nan 0.000 0.226 145 P C 0.797 177.746 177.300 -0.584 0.000 1.146 145 P CA 0.731 63.302 63.100 -0.882 0.000 0.773 145 P CB -0.163 31.055 31.700 -0.804 0.000 0.772 146 c N -0.712 117.540 118.600 -0.579 0.000 2.799 146 c HA 0.232 4.802 4.570 0.000 0.000 0.267 146 c C 1.311 175.115 174.090 -0.477 0.000 1.257 146 c CA -0.559 55.497 56.329 -0.455 0.000 1.702 146 c CB -0.947 41.311 42.510 -0.420 0.000 1.934 146 c HN 0.186 nan 8.230 nan 0.000 0.594 147 R N 1.635 121.726 120.500 -0.682 0.000 2.537 147 R HA 0.434 4.774 4.340 0.000 0.000 0.280 147 R C 0.395 176.430 176.300 -0.441 0.000 1.058 147 R CA 0.520 56.042 56.100 -0.963 0.000 1.057 147 R CB 0.307 29.663 30.300 -1.574 0.000 0.973 147 R HN 0.495 nan 8.270 nan 0.000 0.438 148 G N 0.755 109.524 108.800 -0.052 0.000 2.730 148 G HA2 0.230 4.190 3.960 0.000 0.000 0.289 148 G HA3 0.230 4.190 3.960 0.000 0.000 0.289 148 G C -0.386 174.757 174.900 0.404 0.000 1.341 148 G CA -0.693 44.508 45.100 0.168 0.000 0.932 148 G HN 0.661 nan 8.290 nan 0.000 0.481 149 N N -1.007 117.846 118.700 0.255 0.000 2.451 149 N HA 0.158 4.898 4.740 0.000 0.000 0.271 149 N C -0.423 175.161 175.510 0.123 0.000 1.410 149 N CA -0.362 52.819 53.050 0.217 0.000 0.884 149 N CB 0.852 39.448 38.487 0.181 0.000 1.332 149 N HN 0.214 nan 8.380 nan 0.000 0.498 150 T N 1.665 116.297 114.554 0.129 0.000 2.799 150 T HA 0.416 4.766 4.350 0.000 0.000 0.286 150 T C 0.453 175.198 174.700 0.075 0.000 0.973 150 T CA -0.511 61.592 62.100 0.004 0.000 1.035 150 T CB 0.991 69.738 68.868 -0.201 0.000 0.932 150 T HN 0.140 nan 8.240 nan 0.000 0.469 151 L N 2.429 123.663 121.223 0.017 0.000 2.439 151 L HA 0.208 4.548 4.340 0.000 0.000 0.269 151 L C 2.164 179.107 176.870 0.122 0.000 1.179 151 L CA -0.395 54.486 54.840 0.069 0.000 0.828 151 L CB 0.365 42.441 42.059 0.027 0.000 1.106 151 L HN 0.741 nan 8.230 nan 0.000 0.467 152 S N 2.529 118.345 115.700 0.194 0.000 2.390 152 S HA -0.321 4.149 4.470 0.000 0.000 0.234 152 S C 2.065 176.768 174.600 0.172 0.000 1.063 152 S CA 2.236 60.589 58.200 0.256 0.000 1.108 152 S CB -0.302 63.007 63.200 0.182 0.000 0.975 152 S HN 0.776 nan 8.310 nan 0.000 0.442 153 R N 0.190 120.734 120.500 0.074 0.000 2.117 153 R HA -0.101 4.239 4.340 0.000 0.000 0.243 153 R C 2.171 178.444 176.300 -0.045 0.000 1.143 153 R CA 1.908 58.016 56.100 0.014 0.000 0.968 153 R CB -0.391 29.912 30.300 0.005 0.000 0.863 153 R HN 0.501 nan 8.270 nan 0.000 0.444 154 I N 0.292 120.810 120.570 -0.087 0.000 2.226 154 I HA -0.256 3.914 4.170 0.000 0.000 0.245 154 I C 1.886 177.866 176.117 -0.228 0.000 1.100 154 I CA 1.406 62.599 61.300 -0.179 0.000 1.374 154 I CB -1.333 36.507 38.000 -0.267 0.000 1.057 154 I HN 0.173 nan 8.210 nan 0.000 0.413 155 Y N 0.964 121.188 120.300 -0.127 0.000 2.224 155 Y HA -0.154 4.396 4.550 0.000 0.000 0.289 155 Y C 2.694 178.216 175.900 -0.630 0.000 1.146 155 Y CA 1.084 59.030 58.100 -0.258 0.000 1.182 155 Y CB -1.081 37.300 38.460 -0.131 0.000 0.983 155 Y HN -0.084 nan 8.280 nan 0.000 0.524 156 V N -0.117 119.557 119.914 -0.399 0.000 2.490 156 V HA -0.257 3.863 4.120 0.000 0.000 0.250 156 V C 1.831 177.759 176.094 -0.278 0.000 1.061 156 V CA 2.045 64.060 62.300 -0.475 0.000 1.064 156 V CB -0.535 31.188 31.823 -0.167 0.000 0.670 156 V HN 0.416 nan 8.190 nan 0.000 0.461 157 E N 0.171 120.264 120.200 -0.178 0.000 2.170 157 E HA -0.073 4.277 4.350 0.000 0.000 0.191 157 E C 1.803 178.343 176.600 -0.099 0.000 0.981 157 E CA 0.830 57.164 56.400 -0.110 0.000 0.830 157 E CB -0.169 29.483 29.700 -0.080 0.000 0.775 157 E HN 0.691 nan 8.360 nan 0.000 0.470 158 N N 0.919 119.548 118.700 -0.119 0.000 2.515 158 N HA -0.092 4.648 4.740 0.000 0.000 0.185 158 N C -0.263 175.222 175.510 -0.042 0.000 1.109 158 N CA 0.076 53.092 53.050 -0.055 0.000 0.903 158 N CB 0.304 38.777 38.487 -0.025 0.000 0.969 158 N HN 0.033 nan 8.380 nan 0.000 0.450 159 D N -0.085 120.236 120.400 -0.131 0.000 2.835 159 D HA -0.195 4.445 4.640 0.000 0.000 0.230 159 D C -0.891 175.458 176.300 0.082 0.000 1.130 159 D CA 0.481 54.443 54.000 -0.064 0.000 0.738 159 D CB -1.227 39.583 40.800 0.017 0.000 1.090 159 D HN 0.281 nan 8.370 nan 0.000 0.433 160 F N -1.728 118.281 119.950 0.098 0.000 3.030 160 F HA -0.248 4.279 4.527 0.000 0.000 0.309 160 F C 0.715 176.595 175.800 0.132 0.000 0.941 160 F CA 0.712 58.803 58.000 0.152 0.000 1.082 160 F CB -2.197 36.772 39.000 -0.052 0.000 1.113 160 F HN -0.089 nan 8.300 nan 0.000 0.716 161 S N -0.681 115.179 115.700 0.267 0.000 2.513 161 S HA 0.346 4.816 4.470 0.000 0.000 0.276 161 S C -0.148 174.681 174.600 0.382 0.000 1.254 161 S CA -0.237 58.071 58.200 0.180 0.000 1.053 161 S CB 0.312 63.672 63.200 0.267 0.000 0.958 161 S HN 0.470 nan 8.310 nan 0.000 0.491 162 W N 1.000 122.377 121.300 0.129 0.000 5.963 162 W HA -0.187 4.473 4.660 0.000 0.000 0.400 162 W C -0.205 176.548 176.519 0.390 0.000 1.530 162 W CA -0.063 57.406 57.345 0.206 0.000 1.004 162 W CB -1.647 27.884 29.460 0.118 0.000 2.706 162 W HN 0.578 nan 8.180 nan 0.000 1.495 163 D N 1.269 121.957 120.400 0.481 0.000 2.422 163 D HA 0.163 4.803 4.640 0.000 0.000 0.227 163 D C 0.873 177.162 176.300 -0.019 0.000 1.190 163 D CA -0.006 54.117 54.000 0.206 0.000 0.905 163 D CB 0.484 41.423 40.800 0.232 0.000 1.034 163 D HN 0.287 nan 8.370 nan 0.000 0.507 164 K N 2.632 122.971 120.400 -0.101 0.000 2.500 164 K HA 0.159 4.479 4.320 0.000 0.000 0.206 164 K C 1.384 177.701 176.600 -0.472 0.000 1.034 164 K CA -0.251 55.858 56.287 -0.295 0.000 1.179 164 K CB 0.761 33.129 32.500 -0.221 0.000 0.884 164 K HN 0.135 nan 8.250 nan 0.000 0.493 165 R N 0.068 120.106 120.500 -0.769 0.000 2.148 165 R HA -0.107 4.233 4.340 0.000 0.000 0.227 165 R C 0.552 176.322 176.300 -0.883 0.000 1.103 165 R CA 1.371 56.938 56.100 -0.890 0.000 0.983 165 R CB -0.025 29.623 30.300 -1.088 0.000 0.874 165 R HN 0.325 nan 8.270 nan 0.000 0.451 166 Y N -3.140 116.954 120.300 -0.343 0.000 2.660 166 Y HA 0.231 4.781 4.550 0.000 0.000 0.254 166 Y C 1.538 177.218 175.900 -0.366 0.000 1.176 166 Y CA -1.315 56.559 58.100 -0.378 0.000 1.195 166 Y CB -0.815 37.270 38.460 -0.625 0.000 1.190 166 Y HN -0.082 nan 8.280 nan 0.000 0.535 167 c N 1.012 119.425 118.600 -0.312 0.000 2.326 167 c HA -0.336 4.234 4.570 0.000 0.000 0.269 167 c C 1.504 175.462 174.090 -0.220 0.000 1.140 167 c CA 2.380 58.535 56.329 -0.291 0.000 1.798 167 c CB -0.737 41.577 42.510 -0.327 0.000 2.053 167 c HN 0.765 nan 8.230 nan 0.000 0.438 168 E N -1.139 118.945 120.200 -0.194 0.000 2.468 168 E HA -0.202 4.148 4.350 0.000 0.000 0.264 168 E C 0.122 176.610 176.600 -0.186 0.000 1.069 168 E CA 0.087 56.393 56.400 -0.157 0.000 0.768 168 E CB -1.523 28.149 29.700 -0.046 0.000 1.332 168 E HN 0.806 nan 8.360 nan 0.000 0.398 169 A N 0.021 122.697 122.820 -0.239 0.000 2.587 169 A HA 0.335 4.655 4.320 0.000 0.000 0.235 169 A C 1.657 179.105 177.584 -0.227 0.000 1.044 169 A CA 1.336 53.224 52.037 -0.248 0.000 0.754 169 A CB 0.030 18.832 19.000 -0.330 0.000 0.968 169 A HN 1.152 nan 8.150 nan 0.000 0.509 170 G N 0.937 109.631 108.800 -0.176 0.000 2.143 170 G HA2 -0.312 3.648 3.960 0.000 0.000 0.249 170 G HA3 -0.312 3.648 3.960 0.000 0.000 0.249 170 G C 0.632 175.431 174.900 -0.168 0.000 0.981 170 G CA 0.847 45.844 45.100 -0.171 0.000 0.665 170 G HN 1.445 nan 8.290 nan 0.000 0.528 171 F N 2.267 122.030 119.950 -0.312 0.000 2.161 171 F HA 0.154 4.681 4.527 0.000 0.000 0.300 171 F C 1.570 177.215 175.800 -0.260 0.000 1.089 171 F CA 2.247 60.040 58.000 -0.345 0.000 1.282 171 F CB 0.101 38.909 39.000 -0.321 0.000 1.010 171 F HN 0.668 nan 8.300 nan 0.000 0.485 172 S N -0.790 114.929 115.700 0.032 0.000 2.564 172 S HA 0.727 5.197 4.470 0.000 0.000 0.274 172 S C -0.686 173.871 174.600 -0.072 0.000 1.124 172 S CA -0.086 58.094 58.200 -0.033 0.000 0.869 172 S CB 1.885 65.117 63.200 0.054 0.000 1.105 172 S HN 0.456 nan 8.310 nan 0.000 0.472 173 S N -0.276 115.372 115.700 -0.086 0.000 2.588 173 S HA 0.881 5.351 4.470 0.000 0.000 0.269 173 S C -0.905 173.642 174.600 -0.089 0.000 1.157 173 S CA -0.356 57.786 58.200 -0.097 0.000 0.824 173 S CB 0.889 64.034 63.200 -0.092 0.000 1.126 173 S HN 2.227 nan 8.310 nan 0.000 0.464 174 V N -1.957 117.894 119.914 -0.105 0.000 3.147 174 V HA 0.897 5.017 4.120 0.000 0.000 0.299 174 V C -1.355 174.674 176.094 -0.108 0.000 1.302 174 V CA -0.914 61.335 62.300 -0.085 0.000 1.015 174 V CB 1.213 32.979 31.823 -0.094 0.000 1.086 174 V HN 1.097 nan 8.190 nan 0.000 0.437 175 V N 1.398 121.272 119.914 -0.067 0.000 2.444 175 V HA 0.666 4.786 4.120 0.000 0.000 0.294 175 V C 0.783 176.820 176.094 -0.096 0.000 1.022 175 V CA 0.157 62.371 62.300 -0.143 0.000 0.850 175 V CB 1.486 33.219 31.823 -0.151 0.000 0.992 175 V HN 1.295 nan 8.190 nan 0.000 0.426 176 T N 0.855 115.330 114.554 -0.132 0.000 2.748 176 T HA 0.068 4.418 4.350 0.000 0.000 0.304 176 T C 1.061 175.768 174.700 0.010 0.000 1.041 176 T CA 0.550 62.634 62.100 -0.027 0.000 1.033 176 T CB 0.889 69.756 68.868 -0.002 0.000 0.995 176 T HN 0.739 nan 8.240 nan 0.000 0.536 177 Q N 0.656 120.526 119.800 0.116 0.000 2.170 177 Q HA -0.048 4.292 4.340 0.000 0.000 0.203 177 Q C 2.234 178.408 176.000 0.292 0.000 0.976 177 Q CA 1.447 57.396 55.803 0.243 0.000 0.858 177 Q CB -0.777 28.064 28.738 0.171 0.000 0.907 177 Q HN 0.919 nan 8.270 nan 0.000 0.433 178 A N -0.397 122.493 122.820 0.117 0.000 2.239 178 A HA 0.230 4.550 4.320 0.000 0.000 0.209 178 A C 1.390 178.946 177.584 -0.047 0.000 1.171 178 A CA 0.854 52.944 52.037 0.088 0.000 0.768 178 A CB -0.578 18.439 19.000 0.029 0.000 0.790 178 A HN 0.673 nan 8.150 nan 0.000 0.478 179 G N -0.407 108.153 108.800 -0.400 0.000 2.130 179 G HA2 -0.160 3.800 3.960 0.000 0.000 0.216 179 G HA3 -0.160 3.800 3.960 0.000 0.000 0.216 179 G C -0.433 174.006 174.900 -0.769 0.000 0.999 179 G CA 0.049 44.416 45.100 -1.222 0.000 0.686 179 G HN 0.584 nan 8.290 nan 0.000 0.515 180 E N 0.079 120.002 120.200 -0.461 0.000 2.174 180 E HA 0.510 4.860 4.350 0.000 0.000 0.282 180 E C -0.132 176.272 176.600 -0.326 0.000 0.992 180 E CA -0.958 55.255 56.400 -0.310 0.000 0.803 180 E CB 2.426 32.031 29.700 -0.159 0.000 1.090 180 E HN 0.313 nan 8.360 nan 0.000 0.396 181 L N 3.250 124.282 121.223 -0.317 0.000 2.305 181 L HA 0.222 4.562 4.340 0.000 0.000 0.281 181 L C -0.957 175.773 176.870 -0.232 0.000 1.085 181 L CA -0.520 54.159 54.840 -0.269 0.000 0.813 181 L CB 1.281 43.180 42.059 -0.267 0.000 1.157 181 L HN 0.275 nan 8.230 nan 0.000 0.436 182 V N 6.696 126.471 119.914 -0.231 0.000 2.378 182 V HA 0.401 4.521 4.120 0.000 0.000 0.288 182 V C -0.399 175.582 176.094 -0.188 0.000 1.016 182 V CA -0.611 61.531 62.300 -0.264 0.000 0.840 182 V CB 1.379 32.907 31.823 -0.493 0.000 0.994 182 V HN 0.521 nan 8.190 nan 0.000 0.431 183 L N 4.139 125.286 121.223 -0.128 0.000 2.309 183 L HA 0.760 5.100 4.340 0.000 0.000 0.282 183 L C 0.749 177.546 176.870 -0.122 0.000 1.036 183 L CA 0.072 54.846 54.840 -0.109 0.000 0.806 183 L CB 1.570 43.584 42.059 -0.076 0.000 1.220 183 L HN 0.691 nan 8.230 nan 0.000 0.429 184 G N 2.179 110.912 108.800 -0.110 0.000 2.335 184 G HA2 0.599 4.559 3.960 0.000 0.000 0.314 184 G HA3 0.599 4.559 3.960 0.000 0.000 0.314 184 G C -0.776 174.065 174.900 -0.098 0.000 1.129 184 G CA -0.294 44.744 45.100 -0.103 0.000 0.912 184 G HN 0.780 nan 8.290 nan 0.000 0.443 185 A N 5.415 128.164 122.820 -0.119 0.000 2.644 185 A HA 0.653 4.973 4.320 0.000 0.000 0.343 185 A C -1.087 176.408 177.584 -0.147 0.000 1.324 185 A CA -1.419 50.518 52.037 -0.167 0.000 0.846 185 A CB 1.250 20.119 19.000 -0.218 0.000 1.128 185 A HN 0.476 nan 8.150 nan 0.000 0.484 186 P HA -0.125 nan 4.420 nan 0.000 0.223 186 P C 1.237 178.548 177.300 0.018 0.000 1.144 186 P CA 1.787 64.805 63.100 -0.138 0.000 0.783 186 P CB 0.236 31.615 31.700 -0.536 0.000 0.771 187 G N -0.385 108.350 108.800 -0.109 0.000 2.939 187 G HA2 0.166 4.126 3.960 0.000 0.000 0.210 187 G HA3 0.166 4.126 3.960 0.000 0.000 0.210 187 G C 0.898 175.633 174.900 -0.275 0.000 1.160 187 G CA 0.185 45.197 45.100 -0.146 0.000 0.770 187 G HN 0.419 nan 8.290 nan 0.000 0.543 188 G N -0.569 108.091 108.800 -0.233 0.000 2.474 188 G HA2 0.221 4.181 3.960 0.000 0.000 0.233 188 G HA3 0.221 4.181 3.960 0.000 0.000 0.233 188 G C 0.085 174.849 174.900 -0.226 0.000 1.278 188 G CA -0.141 44.738 45.100 -0.368 0.000 0.861 188 G HN 0.418 nan 8.290 nan 0.000 0.567 189 Y N -0.648 119.597 120.300 -0.092 0.000 3.078 189 Y HA -0.227 4.323 4.550 0.000 0.000 0.202 189 Y C 0.788 176.711 175.900 0.039 0.000 1.322 189 Y CA 0.777 58.845 58.100 -0.053 0.000 1.118 189 Y CB -2.844 35.537 38.460 -0.132 0.000 1.343 189 Y HN 0.951 nan 8.280 nan 0.000 0.499 190 Y N -1.244 119.068 120.300 0.019 0.000 3.234 190 Y HA -0.222 4.328 4.550 0.000 0.000 0.207 190 Y C 0.681 176.569 175.900 -0.020 0.000 1.316 190 Y CA 0.993 59.062 58.100 -0.052 0.000 1.309 190 Y CB -1.794 36.658 38.460 -0.014 0.000 1.408 190 Y HN 0.445 nan 8.280 nan 0.000 0.544 191 F N -3.798 116.208 119.950 0.093 0.000 2.746 191 F HA -0.378 4.149 4.527 0.000 0.000 0.315 191 F C 1.144 177.039 175.800 0.158 0.000 0.666 191 F CA 0.644 58.719 58.000 0.125 0.000 1.381 191 F CB -2.009 37.035 39.000 0.073 0.000 1.739 191 F HN 0.232 nan 8.300 nan 0.000 0.322 192 L N -0.002 121.371 121.223 0.251 0.000 2.068 192 L HA 0.475 4.815 4.340 0.000 0.000 0.204 192 L C 1.550 178.603 176.870 0.306 0.000 1.076 192 L CA 2.125 57.117 54.840 0.253 0.000 0.753 192 L CB -0.670 41.509 42.059 0.201 0.000 0.910 192 L HN 0.538 nan 8.230 nan 0.000 0.439 193 G N -0.908 108.034 108.800 0.236 0.000 2.592 193 G HA2 0.294 4.254 3.960 0.000 0.000 0.685 193 G HA3 0.294 4.254 3.960 0.000 0.000 0.685 193 G C -1.495 173.548 174.900 0.239 0.000 1.278 193 G CA -0.423 44.843 45.100 0.277 0.000 0.822 193 G HN 0.459 nan 8.290 nan 0.000 0.652 194 L N -0.970 120.357 121.223 0.174 0.000 2.600 194 L HA 1.033 5.373 4.340 0.000 0.000 0.257 194 L C -1.225 175.735 176.870 0.151 0.000 1.048 194 L CA -1.411 53.499 54.840 0.116 0.000 0.869 194 L CB 1.821 43.638 42.059 -0.403 0.000 1.482 194 L HN 0.946 nan 8.230 nan 0.000 0.408 195 L N 1.107 122.400 121.223 0.118 0.000 2.408 195 L HA 0.988 5.328 4.340 0.000 0.000 0.268 195 L C -0.697 176.118 176.870 -0.091 0.000 0.986 195 L CA -0.104 54.743 54.840 0.011 0.000 0.820 195 L CB 2.025 44.152 42.059 0.113 0.000 1.303 195 L HN 1.097 nan 8.230 nan 0.000 0.411 196 A N 3.237 126.019 122.820 -0.063 0.000 2.414 196 A HA 0.889 5.209 4.320 0.000 0.000 0.306 196 A C -1.451 176.162 177.584 0.049 0.000 1.054 196 A CA -0.464 51.563 52.037 -0.018 0.000 0.724 196 A CB 1.844 20.796 19.000 -0.081 0.000 1.267 196 A HN 0.666 nan 8.150 nan 0.000 0.418 197 Q N 0.191 120.045 119.800 0.090 0.000 2.418 197 Q HA 0.866 5.206 4.340 0.000 0.000 0.282 197 Q C -0.951 175.010 176.000 -0.065 0.000 1.044 197 Q CA -0.367 55.431 55.803 -0.008 0.000 0.813 197 Q CB 1.980 30.700 28.738 -0.029 0.000 1.428 197 Q HN 2.020 nan 8.270 nan 0.000 0.402 198 A N 0.945 123.629 122.820 -0.226 0.000 2.608 198 A HA 0.800 5.120 4.320 0.000 0.000 0.292 198 A C -2.979 174.431 177.584 -0.290 0.000 1.066 198 A CA -1.524 50.349 52.037 -0.274 0.000 0.676 198 A CB 1.443 20.163 19.000 -0.466 0.000 1.277 198 A HN 0.568 nan 8.150 nan 0.000 0.413 199 P HA 0.296 nan 4.420 nan 0.000 0.282 199 P C 1.038 178.221 177.300 -0.194 0.000 1.262 199 P CA -0.172 62.808 63.100 -0.200 0.000 0.773 199 P CB 1.081 32.715 31.700 -0.111 0.000 0.879 200 V N 3.743 123.515 119.914 -0.236 0.000 2.317 200 V HA -0.353 3.767 4.120 0.000 0.000 0.251 200 V C 2.306 178.493 176.094 0.155 0.000 1.065 200 V CA 2.824 65.082 62.300 -0.071 0.000 1.049 200 V CB -1.446 30.329 31.823 -0.080 0.000 0.651 200 V HN 0.659 nan 8.190 nan 0.000 0.450 201 A N -0.432 122.446 122.820 0.096 0.000 1.902 201 A HA -0.258 4.062 4.320 0.000 0.000 0.217 201 A C 2.041 179.716 177.584 0.152 0.000 1.181 201 A CA 2.009 54.141 52.037 0.158 0.000 0.623 201 A CB -0.568 18.494 19.000 0.103 0.000 0.818 201 A HN 0.573 nan 8.150 nan 0.000 0.443 202 D N -0.222 120.218 120.400 0.066 0.000 2.178 202 D HA -0.063 4.577 4.640 0.000 0.000 0.202 202 D C 1.881 178.223 176.300 0.070 0.000 0.974 202 D CA 0.897 54.931 54.000 0.058 0.000 0.841 202 D CB -0.205 40.600 40.800 0.008 0.000 0.953 202 D HN 0.529 nan 8.370 nan 0.000 0.478 203 I N 0.138 120.710 120.570 0.005 0.000 2.202 203 I HA -0.260 3.910 4.170 0.000 0.000 0.242 203 I C 2.157 178.294 176.117 0.033 0.000 1.091 203 I CA 0.852 62.131 61.300 -0.035 0.000 1.368 203 I CB -0.195 37.652 38.000 -0.254 0.000 1.058 203 I HN -0.124 nan 8.210 nan 0.000 0.410 204 F N 1.078 121.060 119.950 0.054 0.000 2.102 204 F HA -0.264 4.263 4.527 0.000 0.000 0.298 204 F C 3.026 178.889 175.800 0.105 0.000 1.105 204 F CA 1.967 60.012 58.000 0.074 0.000 1.239 204 F CB -0.687 38.347 39.000 0.058 0.000 0.991 204 F HN 0.129 nan 8.300 nan 0.000 0.474 205 S N -0.792 115.070 115.700 0.270 0.000 2.402 205 S HA -0.154 4.316 4.470 0.000 0.000 0.229 205 S C 2.031 176.711 174.600 0.133 0.000 1.021 205 S CA 1.190 59.496 58.200 0.176 0.000 0.974 205 S CB -0.922 62.358 63.200 0.133 0.000 0.800 205 S HN 0.370 nan 8.310 nan 0.000 0.484 206 S N -0.537 115.251 115.700 0.147 0.000 2.496 206 S HA 0.140 4.610 4.470 0.000 0.000 0.224 206 S C 0.520 175.135 174.600 0.024 0.000 0.996 206 S CA -0.515 57.762 58.200 0.128 0.000 0.927 206 S CB -0.886 62.440 63.200 0.210 0.000 0.774 206 S HN 0.606 nan 8.310 nan 0.000 0.524 207 Y N 3.517 123.745 120.300 -0.119 0.000 2.497 207 Y HA 0.430 4.980 4.550 0.000 0.000 0.334 207 Y C 0.266 175.957 175.900 -0.348 0.000 1.199 207 Y CA -0.279 57.577 58.100 -0.407 0.000 1.425 207 Y CB 0.440 38.733 38.460 -0.279 0.000 1.291 207 Y HN 0.044 nan 8.280 nan 0.000 0.562 208 R N 6.624 126.366 120.500 -1.263 0.000 2.514 208 R HA 0.312 4.652 4.340 0.000 0.000 0.296 208 R C -2.996 172.582 176.300 -1.204 0.000 1.012 208 R CA -2.214 53.361 56.100 -0.875 0.000 0.897 208 R CB 1.564 31.549 30.300 -0.526 0.000 1.184 208 R HN 0.509 nan 8.270 nan 0.000 0.440 209 P HA 0.205 nan 4.420 nan 0.000 0.276 209 P C 0.730 177.852 177.300 -0.298 0.000 1.243 209 P CA 0.466 63.291 63.100 -0.459 0.000 0.768 209 P CB 0.864 32.497 31.700 -0.113 0.000 0.856 210 G N 3.232 111.893 108.800 -0.231 0.000 2.391 210 G HA2 -0.168 3.792 3.960 0.000 0.000 0.204 210 G HA3 -0.168 3.792 3.960 0.000 0.000 0.204 210 G C -0.044 174.784 174.900 -0.120 0.000 1.012 210 G CA -0.541 44.481 45.100 -0.129 0.000 0.651 210 G HN 0.448 nan 8.290 nan 0.000 0.494 211 I N 1.951 122.380 120.570 -0.235 0.000 2.416 211 I HA 0.388 4.558 4.170 0.000 0.000 0.288 211 I C 1.218 177.317 176.117 -0.030 0.000 1.051 211 I CA -0.330 60.888 61.300 -0.137 0.000 1.375 211 I CB 1.245 39.113 38.000 -0.220 0.000 1.407 211 I HN 0.013 nan 8.210 nan 0.000 0.516 212 L N 6.854 128.192 121.223 0.192 0.000 2.556 212 L HA 0.233 4.573 4.340 0.000 0.000 0.226 212 L C 0.246 177.376 176.870 0.432 0.000 1.089 212 L CA 0.569 55.625 54.840 0.361 0.000 0.864 212 L CB -0.220 42.075 42.059 0.393 0.000 1.067 212 L HN 0.438 nan 8.230 nan 0.000 0.477 213 L N 0.364 121.830 121.223 0.405 0.000 2.415 213 L HA 0.509 4.849 4.340 0.000 0.000 0.268 213 L C -1.297 175.778 176.870 0.342 0.000 0.984 213 L CA -0.369 54.606 54.840 0.224 0.000 0.853 213 L CB 1.060 43.237 42.059 0.197 0.000 1.215 213 L HN 0.196 nan 8.230 nan 0.000 0.419 214 W N 2.796 124.073 121.300 -0.038 0.000 3.062 214 W HA 0.622 5.282 4.660 0.000 0.000 0.336 214 W C -1.626 174.919 176.519 0.044 0.000 1.224 214 W CA -1.119 56.233 57.345 0.013 0.000 1.159 214 W CB 0.688 30.150 29.460 0.004 0.000 1.454 214 W HN 0.655 nan 8.180 nan 0.000 0.569 215 H N 1.181 120.293 119.070 0.071 0.000 2.551 215 H HA 0.514 5.070 4.556 0.000 0.000 0.321 215 H C -1.062 174.320 175.328 0.090 0.000 1.028 215 H CA -0.709 55.321 56.048 -0.030 0.000 1.215 215 H CB 1.455 31.217 29.762 0.000 0.000 1.414 215 H HN 0.441 nan 8.280 nan 0.000 0.480 216 V N 6.154 125.908 119.914 -0.267 0.000 2.397 216 V HA -0.034 4.086 4.120 0.000 0.000 0.262 216 V C 1.456 177.438 176.094 -0.188 0.000 1.047 216 V CA 0.735 62.999 62.300 -0.059 0.000 1.003 216 V CB 0.154 31.962 31.823 -0.024 0.000 1.037 216 V HN 1.086 nan 8.190 nan 0.000 0.480 217 S N 3.913 119.656 115.700 0.071 0.000 2.389 217 S HA -0.227 4.243 4.470 0.000 0.000 0.231 217 S C 1.493 176.156 174.600 0.104 0.000 1.052 217 S CA 1.734 60.039 58.200 0.175 0.000 1.053 217 S CB -0.536 62.762 63.200 0.162 0.000 0.886 217 S HN 0.918 nan 8.310 nan 0.000 0.456 218 S N 1.469 117.193 115.700 0.039 0.000 2.677 218 S HA 0.275 4.745 4.470 0.000 0.000 0.246 218 S C 0.153 174.754 174.600 0.002 0.000 1.005 218 S CA -0.734 57.486 58.200 0.034 0.000 1.062 218 S CB -0.368 62.844 63.200 0.020 0.000 0.778 218 S HN 0.748 nan 8.310 nan 0.000 0.461 219 Q N 1.638 121.424 119.800 -0.024 0.000 2.204 219 Q HA 0.634 4.974 4.340 0.000 0.000 0.254 219 Q C -1.034 175.000 176.000 0.057 0.000 0.981 219 Q CA -0.599 55.187 55.803 -0.028 0.000 0.897 219 Q CB 1.735 30.407 28.738 -0.111 0.000 1.273 219 Q HN 0.394 nan 8.270 nan 0.000 0.464 220 S N 1.943 117.704 115.700 0.103 0.000 2.543 220 S HA 0.591 5.061 4.470 0.000 0.000 0.273 220 S C -1.487 173.216 174.600 0.171 0.000 1.152 220 S CA -0.823 57.485 58.200 0.181 0.000 0.910 220 S CB 1.138 64.516 63.200 0.296 0.000 1.105 220 S HN 0.469 nan 8.310 nan 0.000 0.465 221 L N 2.781 124.003 121.223 -0.002 0.000 2.319 221 L HA 0.734 5.074 4.340 0.000 0.000 0.267 221 L C 1.058 177.501 176.870 -0.711 0.000 1.011 221 L CA -0.342 54.354 54.840 -0.239 0.000 0.818 221 L CB 1.923 43.901 42.059 -0.136 0.000 1.316 221 L HN 1.029 nan 8.230 nan 0.000 0.432 222 S N -0.113 115.016 115.700 -0.952 0.000 2.618 222 S HA 0.502 4.972 4.470 0.000 0.000 0.254 222 S C -0.285 173.858 174.600 -0.761 0.000 1.284 222 S CA -0.215 57.318 58.200 -1.112 0.000 0.975 222 S CB 0.079 62.913 63.200 -0.611 0.000 1.022 222 S HN 0.206 nan 8.310 nan 0.000 0.571 223 F N -0.536 119.378 119.950 -0.060 0.000 2.598 223 F HA 0.529 5.056 4.527 0.000 0.000 0.327 223 F C 0.398 175.849 175.800 -0.581 0.000 1.057 223 F CA -1.176 56.753 58.000 -0.117 0.000 0.957 223 F CB 0.826 39.784 39.000 -0.069 0.000 1.278 223 F HN 0.486 nan 8.300 nan 0.000 0.484 224 D N 0.266 119.991 120.400 -1.125 0.000 2.313 224 D HA 0.409 5.049 4.640 0.000 0.000 0.247 224 D C -0.864 175.044 176.300 -0.654 0.000 1.094 224 D CA 0.264 53.492 54.000 -1.286 0.000 0.925 224 D CB 1.603 41.175 40.800 -2.047 0.000 1.188 224 D HN 0.429 nan 8.370 nan 0.000 0.430 225 S N -0.288 115.165 115.700 -0.412 0.000 2.569 225 S HA 0.438 4.908 4.470 0.000 0.000 0.280 225 S C 0.207 174.789 174.600 -0.029 0.000 1.111 225 S CA -0.481 57.585 58.200 -0.224 0.000 0.887 225 S CB 1.142 64.191 63.200 -0.253 0.000 1.095 225 S HN 0.382 nan 8.310 nan 0.000 0.476 226 S N 1.936 117.646 115.700 0.017 0.000 2.539 226 S HA 0.184 4.654 4.470 0.000 0.000 0.221 226 S C 0.349 175.013 174.600 0.107 0.000 0.987 226 S CA -0.413 57.867 58.200 0.133 0.000 0.929 226 S CB -0.653 62.578 63.200 0.051 0.000 0.832 226 S HN 0.742 nan 8.310 nan 0.000 0.492 227 N N 2.701 121.418 118.700 0.029 0.000 2.420 227 N HA 0.179 4.919 4.740 0.000 0.000 0.262 227 N C -2.082 173.136 175.510 -0.487 0.000 1.144 227 N CA -1.707 51.287 53.050 -0.093 0.000 0.952 227 N CB 1.029 39.576 38.487 0.099 0.000 1.081 227 N HN -0.095 nan 8.380 nan 0.000 0.480 228 P HA -0.189 nan 4.420 nan 0.000 0.218 228 P C 0.268 176.762 177.300 -1.342 0.000 1.146 228 P CA 1.250 63.372 63.100 -1.629 0.000 0.813 228 P CB 0.188 31.467 31.700 -0.701 0.000 0.778 229 E N -1.940 117.720 120.200 -0.900 0.000 2.209 229 E HA -0.202 4.148 4.350 0.000 0.000 0.196 229 E C 1.293 177.082 176.600 -1.352 0.000 0.993 229 E CA 1.049 56.723 56.400 -1.209 0.000 0.819 229 E CB -0.473 28.569 29.700 -1.097 0.000 0.745 229 E HN 0.457 nan 8.360 nan 0.000 0.477 230 Y N -0.640 119.319 120.300 -0.567 0.000 2.517 230 Y HA 0.022 4.572 4.550 0.000 0.000 0.281 230 Y C 0.474 176.354 175.900 -0.033 0.000 1.125 230 Y CA -0.261 57.739 58.100 -0.166 0.000 1.283 230 Y CB 0.228 38.715 38.460 0.045 0.000 1.042 230 Y HN -0.117 nan 8.280 nan 0.000 0.547 231 F N 2.387 122.169 119.950 -0.279 0.000 2.602 231 F HA -0.052 4.475 4.527 0.000 0.000 0.385 231 F C 1.011 176.621 175.800 -0.318 0.000 1.063 231 F CA -0.190 57.657 58.000 -0.254 0.000 1.233 231 F CB -0.433 38.367 39.000 -0.335 0.000 1.067 231 F HN 0.284 nan 8.300 nan 0.000 0.564 232 D N 1.424 121.821 120.400 -0.006 0.000 2.837 232 D HA -0.187 4.453 4.640 0.000 0.000 0.230 232 D C 1.454 177.463 176.300 -0.484 0.000 1.152 232 D CA 0.879 54.737 54.000 -0.237 0.000 0.736 232 D CB -1.046 39.588 40.800 -0.276 0.000 1.084 232 D HN 0.818 nan 8.370 nan 0.000 0.429 233 G N -0.568 108.124 108.800 -0.180 0.000 2.494 233 G HA2 -0.113 3.847 3.960 0.000 0.000 0.216 233 G HA3 -0.113 3.847 3.960 0.000 0.000 0.216 233 G C 0.550 175.492 174.900 0.069 0.000 1.140 233 G CA 0.344 45.419 45.100 -0.043 0.000 0.801 233 G HN 0.355 nan 8.290 nan 0.000 0.536 234 Y N -2.818 117.629 120.300 0.245 0.000 4.032 234 Y HA -0.143 4.407 4.550 0.000 0.000 0.230 234 Y C 0.476 176.533 175.900 0.261 0.000 1.202 234 Y CA -0.622 57.609 58.100 0.218 0.000 1.878 234 Y CB -2.501 36.086 38.460 0.211 0.000 1.586 234 Y HN 0.441 nan 8.280 nan 0.000 0.673 235 W N 1.975 123.424 121.300 0.248 0.000 2.613 235 W HA 0.375 5.035 4.660 0.000 0.000 0.342 235 W C 1.160 177.742 176.519 0.105 0.000 1.416 235 W CA 2.178 59.633 57.345 0.184 0.000 1.335 235 W CB 0.072 29.663 29.460 0.219 0.000 1.396 235 W HN 0.646 nan 8.180 nan 0.000 0.572 236 G N 4.072 112.834 108.800 -0.063 0.000 2.183 236 G HA2 -0.379 3.581 3.960 0.000 0.000 0.168 236 G HA3 -0.379 3.581 3.960 0.000 0.000 0.168 236 G C 0.355 175.231 174.900 -0.040 0.000 1.008 236 G CA -0.005 45.013 45.100 -0.136 0.000 0.677 236 G HN 0.631 nan 8.290 nan 0.000 0.498 237 Y N 2.396 122.630 120.300 -0.110 0.000 2.483 237 Y HA 0.297 4.847 4.550 0.000 0.000 0.291 237 Y C 1.351 177.314 175.900 0.105 0.000 1.143 237 Y CA 1.958 60.016 58.100 -0.071 0.000 1.289 237 Y CB 0.271 38.734 38.460 0.004 0.000 0.983 237 Y HN 0.797 nan 8.280 nan 0.000 0.556 238 S N -0.980 114.818 115.700 0.165 0.000 2.543 238 S HA 0.642 5.112 4.470 0.000 0.000 0.274 238 S C -1.191 173.370 174.600 -0.065 0.000 1.149 238 S CA -0.373 57.871 58.200 0.073 0.000 0.866 238 S CB 1.355 64.621 63.200 0.110 0.000 1.111 238 S HN 0.448 nan 8.310 nan 0.000 0.457 239 V N -1.609 118.254 119.914 -0.085 0.000 3.181 239 V HA 1.105 5.225 4.120 0.000 0.000 0.308 239 V C -0.218 175.817 176.094 -0.099 0.000 1.214 239 V CA -0.464 61.755 62.300 -0.136 0.000 1.053 239 V CB 0.881 32.593 31.823 -0.185 0.000 1.069 239 V HN 2.283 nan 8.190 nan 0.000 0.441 240 A N 0.754 123.519 122.820 -0.091 0.000 2.601 240 A HA 0.965 5.285 4.320 0.000 0.000 0.291 240 A C -0.859 176.729 177.584 0.006 0.000 1.075 240 A CA -0.074 51.937 52.037 -0.044 0.000 0.671 240 A CB 1.527 20.508 19.000 -0.031 0.000 1.277 240 A HN 2.479 nan 8.150 nan 0.000 0.417 241 V N -2.063 117.874 119.914 0.039 0.000 3.126 241 V HA 1.083 5.203 4.120 0.000 0.000 0.314 241 V C 0.207 176.351 176.094 0.083 0.000 1.138 241 V CA -0.070 62.301 62.300 0.120 0.000 1.034 241 V CB 1.243 33.138 31.823 0.120 0.000 1.075 241 V HN 2.624 nan 8.190 nan 0.000 0.442 242 G N 0.658 109.541 108.800 0.138 0.000 2.322 242 G HA2 0.483 4.443 3.960 0.000 0.000 0.295 242 G HA3 0.483 4.443 3.960 0.000 0.000 0.295 242 G C -1.983 173.029 174.900 0.186 0.000 1.369 242 G CA -0.438 44.681 45.100 0.031 0.000 0.821 242 G HN 1.108 nan 8.290 nan 0.000 0.536 243 E N -0.432 119.879 120.200 0.184 0.000 2.109 243 E HA 0.728 5.078 4.350 0.000 0.000 0.278 243 E C -0.713 175.770 176.600 -0.194 0.000 0.954 243 E CA -0.638 55.810 56.400 0.079 0.000 0.779 243 E CB 0.752 30.479 29.700 0.046 0.000 1.093 243 E HN 0.278 nan 8.360 nan 0.000 0.401 244 F N 1.753 121.743 119.950 0.066 0.000 2.871 244 F HA 0.151 4.678 4.527 0.000 0.000 0.344 244 F C 0.893 176.704 175.800 0.017 0.000 1.078 244 F CA -0.208 57.819 58.000 0.045 0.000 1.149 244 F CB 0.854 39.871 39.000 0.030 0.000 1.087 244 F HN 0.483 nan 8.300 nan 0.000 0.557 245 D N -1.081 119.408 120.400 0.147 0.000 2.395 245 D HA 0.270 4.910 4.640 0.000 0.000 0.213 245 D C 1.838 178.158 176.300 0.034 0.000 1.110 245 D CA 0.736 54.784 54.000 0.081 0.000 0.835 245 D CB 0.232 41.068 40.800 0.061 0.000 0.965 245 D HN 0.290 nan 8.370 nan 0.000 0.505 246 G N 0.897 109.708 108.800 0.019 0.000 2.320 246 G HA2 -0.306 3.654 3.960 0.000 0.000 0.242 246 G HA3 -0.306 3.654 3.960 0.000 0.000 0.242 246 G C 0.060 174.956 174.900 -0.007 0.000 1.033 246 G CA 0.248 45.345 45.100 -0.004 0.000 0.620 246 G HN 0.565 nan 8.290 nan 0.000 0.517 247 D N 1.222 121.623 120.400 0.002 0.000 2.374 247 D HA 0.449 5.089 4.640 0.000 0.000 0.240 247 D C 1.733 178.033 176.300 -0.001 0.000 1.229 247 D CA -0.387 53.614 54.000 0.001 0.000 0.895 247 D CB 0.189 40.993 40.800 0.006 0.000 1.046 247 D HN 0.251 nan 8.370 nan 0.000 0.498 248 L N 3.455 124.675 121.223 -0.006 0.000 2.622 248 L HA -0.020 4.320 4.340 0.000 0.000 0.233 248 L C 1.742 178.613 176.870 0.002 0.000 1.156 248 L CA 0.235 55.073 54.840 -0.004 0.000 0.866 248 L CB -0.315 41.737 42.059 -0.012 0.000 0.980 248 L HN 0.329 nan 8.230 nan 0.000 0.448 249 N N -0.639 118.062 118.700 0.002 0.000 2.416 249 N HA -0.055 4.685 4.740 0.000 0.000 0.177 249 N C 0.521 176.027 175.510 -0.006 0.000 1.036 249 N CA 0.629 53.681 53.050 0.004 0.000 0.901 249 N CB 0.403 38.896 38.487 0.009 0.000 0.976 249 N HN 0.263 nan 8.380 nan 0.000 0.444 250 T N -2.552 111.993 114.554 -0.015 0.000 2.829 250 T HA 0.532 4.882 4.350 0.000 0.000 0.280 250 T C -0.279 174.387 174.700 -0.056 0.000 0.999 250 T CA -0.814 61.257 62.100 -0.050 0.000 0.983 250 T CB 1.786 70.623 68.868 -0.051 0.000 0.968 250 T HN -0.170 nan 8.240 nan 0.000 0.446 251 T N 3.451 117.943 114.554 -0.103 0.000 2.902 251 T HA 0.572 4.922 4.350 0.000 0.000 0.283 251 T C -0.378 174.190 174.700 -0.220 0.000 1.009 251 T CA -0.911 61.141 62.100 -0.080 0.000 1.051 251 T CB 1.204 70.060 68.868 -0.020 0.000 0.999 251 T HN 0.782 nan 8.240 nan 0.000 0.474 252 E N 1.451 121.586 120.200 -0.108 0.000 2.263 252 E HA 0.434 4.784 4.350 0.000 0.000 0.264 252 E C -1.331 175.244 176.600 -0.041 0.000 0.923 252 E CA -0.935 55.344 56.400 -0.202 0.000 0.802 252 E CB 1.060 30.757 29.700 -0.005 0.000 1.228 252 E HN 0.457 nan 8.360 nan 0.000 0.417 253 Y N -0.500 119.779 120.300 -0.034 0.000 2.420 253 Y HA 0.455 5.005 4.550 0.000 0.000 0.334 253 Y C 0.150 175.981 175.900 -0.115 0.000 1.094 253 Y CA -1.543 56.519 58.100 -0.063 0.000 1.126 253 Y CB 1.724 40.149 38.460 -0.059 0.000 1.217 253 Y HN 0.160 nan 8.280 nan 0.000 0.462 254 V N 3.709 123.636 119.914 0.021 0.000 2.407 254 V HA 0.507 4.627 4.120 0.000 0.000 0.291 254 V C -0.601 175.384 176.094 -0.182 0.000 1.018 254 V CA -0.815 61.406 62.300 -0.131 0.000 0.842 254 V CB 1.439 33.169 31.823 -0.154 0.000 0.996 254 V HN 0.537 nan 8.190 nan 0.000 0.426 255 V N 3.365 123.112 119.914 -0.278 0.000 2.628 255 V HA 0.808 4.928 4.120 0.000 0.000 0.306 255 V C 0.666 176.533 176.094 -0.379 0.000 1.045 255 V CA -0.444 61.577 62.300 -0.464 0.000 0.905 255 V CB 2.076 33.283 31.823 -1.027 0.000 0.997 255 V HN 0.903 nan 8.190 nan 0.000 0.436 256 G N 2.088 110.713 108.800 -0.292 0.000 2.356 256 G HA2 0.635 4.595 3.960 0.000 0.000 0.322 256 G HA3 0.635 4.595 3.960 0.000 0.000 0.322 256 G C -0.356 174.487 174.900 -0.094 0.000 1.125 256 G CA -0.228 44.770 45.100 -0.171 0.000 0.885 256 G HN 1.170 nan 8.290 nan 0.000 0.467 257 A N 4.494 127.306 122.820 -0.014 0.000 3.030 257 A HA 0.639 4.959 4.320 0.000 0.000 0.335 257 A C -1.261 176.357 177.584 0.055 0.000 1.089 257 A CA -1.152 50.968 52.037 0.137 0.000 0.807 257 A CB 1.306 20.511 19.000 0.342 0.000 1.099 257 A HN 0.461 nan 8.150 nan 0.000 0.474 258 P HA -0.151 nan 4.420 nan 0.000 0.224 258 P C 0.869 177.890 177.300 -0.465 0.000 1.142 258 P CA 1.953 64.797 63.100 -0.427 0.000 0.778 258 P CB -0.033 31.084 31.700 -0.972 0.000 0.764 259 T N -7.754 106.655 114.554 -0.241 0.000 3.145 259 T HA 0.126 4.476 4.350 0.000 0.000 0.281 259 T C 0.075 174.717 174.700 -0.098 0.000 1.003 259 T CA -0.763 61.210 62.100 -0.212 0.000 0.901 259 T CB -0.848 67.825 68.868 -0.325 0.000 1.112 259 T HN -0.043 nan 8.240 nan 0.000 0.535 260 W N 2.779 123.977 121.300 -0.171 0.000 2.253 260 W HA 0.319 4.979 4.660 0.000 0.000 0.348 260 W C 0.951 177.357 176.519 -0.188 0.000 1.267 260 W CA 1.457 58.694 57.345 -0.181 0.000 1.298 260 W CB 0.272 29.662 29.460 -0.117 0.000 1.181 260 W HN 0.341 nan 8.180 nan 0.000 0.585 261 S N 6.116 121.163 115.700 -1.088 0.000 3.292 261 S HA -0.257 4.213 4.470 0.000 0.000 0.360 261 S C -0.040 174.524 174.600 -0.061 0.000 0.930 261 S CA 0.984 58.705 58.200 -0.800 0.000 1.317 261 S CB -1.515 61.180 63.200 -0.841 0.000 0.920 261 S HN 0.911 nan 8.310 nan 0.000 0.540 262 W N 0.074 121.184 121.300 -0.318 0.000 5.820 262 W HA -0.317 4.343 4.660 0.000 0.000 0.415 262 W C 1.191 177.635 176.519 -0.125 0.000 1.627 262 W CA 1.271 58.502 57.345 -0.190 0.000 0.991 262 W CB -3.134 26.222 29.460 -0.173 0.000 2.842 262 W HN 1.721 nan 8.180 nan 0.000 1.416 263 T N -3.909 110.640 114.554 -0.008 0.000 5.221 263 T HA -0.341 4.009 4.350 0.000 0.000 0.299 263 T C 0.808 175.536 174.700 0.047 0.000 1.489 263 T CA 1.144 63.248 62.100 0.007 0.000 2.593 263 T CB -1.562 67.335 68.868 0.049 0.000 1.859 263 T HN 0.476 nan 8.240 nan 0.000 0.982 264 L N 1.176 122.442 121.223 0.071 0.000 2.240 264 L HA 0.377 4.717 4.340 0.000 0.000 0.211 264 L C 1.512 178.436 176.870 0.091 0.000 1.106 264 L CA 2.247 57.138 54.840 0.085 0.000 0.793 264 L CB -1.366 40.760 42.059 0.112 0.000 0.927 264 L HN 1.297 nan 8.230 nan 0.000 0.446 265 G N -0.019 108.869 108.800 0.148 0.000 2.755 265 G HA2 0.121 4.081 3.960 0.000 0.000 0.686 265 G HA3 0.121 4.081 3.960 0.000 0.000 0.686 265 G C -0.584 174.454 174.900 0.230 0.000 1.427 265 G CA -0.155 45.055 45.100 0.183 0.000 0.873 265 G HN 1.042 nan 8.290 nan 0.000 0.580 266 A N -0.775 122.203 122.820 0.265 0.000 2.544 266 A HA 0.950 5.270 4.320 0.000 0.000 0.291 266 A C -0.830 176.800 177.584 0.076 0.000 1.055 266 A CA 0.234 52.331 52.037 0.099 0.000 0.651 266 A CB 1.431 20.159 19.000 -0.453 0.000 1.296 266 A HN 2.236 nan 8.150 nan 0.000 0.431 267 V N 0.426 120.339 119.914 -0.002 0.000 2.925 267 V HA 0.678 4.798 4.120 0.000 0.000 0.311 267 V C -0.596 175.400 176.094 -0.164 0.000 1.104 267 V CA -0.489 61.731 62.300 -0.133 0.000 0.954 267 V CB 2.046 33.738 31.823 -0.218 0.000 1.022 267 V HN 0.943 nan 8.190 nan 0.000 0.427 268 E N 3.157 123.267 120.200 -0.149 0.000 2.340 268 E HA 0.590 4.940 4.350 0.000 0.000 0.273 268 E C -1.646 174.897 176.600 -0.094 0.000 0.891 268 E CA -0.850 55.505 56.400 -0.076 0.000 0.757 268 E CB 2.759 32.528 29.700 0.114 0.000 1.231 268 E HN 0.372 nan 8.360 nan 0.000 0.439 269 I N 3.288 123.811 120.570 -0.078 0.000 2.378 269 I HA 0.389 4.559 4.170 0.000 0.000 0.291 269 I C -0.667 175.453 176.117 0.005 0.000 0.992 269 I CA -0.659 60.566 61.300 -0.125 0.000 1.154 269 I CB 0.604 38.456 38.000 -0.248 0.000 1.315 269 I HN 0.336 nan 8.210 nan 0.000 0.448 270 L N 4.784 126.023 121.223 0.028 0.000 2.350 270 L HA 0.479 4.819 4.340 0.000 0.000 0.260 270 L C -0.158 176.650 176.870 -0.104 0.000 1.015 270 L CA -0.702 54.177 54.840 0.065 0.000 0.821 270 L CB 1.903 44.106 42.059 0.240 0.000 1.370 270 L HN 0.527 nan 8.230 nan 0.000 0.416 271 D N -0.719 119.607 120.400 -0.124 0.000 2.440 271 D HA 0.103 4.743 4.640 0.000 0.000 0.269 271 D C 1.059 176.986 176.300 -0.622 0.000 1.249 271 D CA -0.106 53.720 54.000 -0.290 0.000 1.055 271 D CB 0.317 41.042 40.800 -0.124 0.000 1.104 271 D HN 0.482 nan 8.370 nan 0.000 0.561 272 S N -1.874 113.337 115.700 -0.816 0.000 2.555 272 S HA -0.139 4.331 4.470 0.000 0.000 0.230 272 S C 0.737 174.767 174.600 -0.950 0.000 0.978 272 S CA 0.274 57.853 58.200 -1.034 0.000 0.934 272 S CB -0.705 61.963 63.200 -0.886 0.000 0.766 272 S HN 0.492 nan 8.310 nan 0.000 0.533 273 Y N 0.135 120.240 120.300 -0.325 0.000 2.571 273 Y HA 0.399 4.949 4.550 0.000 0.000 0.275 273 Y C -0.082 175.880 175.900 0.102 0.000 1.179 273 Y CA -1.768 56.269 58.100 -0.105 0.000 1.242 273 Y CB -1.032 37.448 38.460 0.033 0.000 1.126 273 Y HN 0.180 nan 8.280 nan 0.000 0.524 274 Y N -1.744 118.724 120.300 0.281 0.000 4.753 274 Y HA -0.346 4.204 4.550 0.000 0.000 0.232 274 Y C 0.354 176.441 175.900 0.312 0.000 1.029 274 Y CA 0.000 58.306 58.100 0.343 0.000 1.996 274 Y CB -2.516 36.183 38.460 0.398 0.000 1.602 274 Y HN 0.279 nan 8.280 nan 0.000 0.621 275 Q N 1.408 121.395 119.800 0.311 0.000 2.313 275 Q HA 0.258 4.598 4.340 0.000 0.000 0.266 275 Q C 0.451 176.555 176.000 0.174 0.000 0.989 275 Q CA -0.453 55.480 55.803 0.217 0.000 0.890 275 Q CB 0.644 29.482 28.738 0.165 0.000 1.200 275 Q HN 0.218 nan 8.270 nan 0.000 0.396 276 R N 1.767 122.361 120.500 0.157 0.000 2.537 276 R HA 0.002 4.342 4.340 0.000 0.000 0.280 276 R C 0.279 176.638 176.300 0.097 0.000 1.058 276 R CA -0.047 56.133 56.100 0.134 0.000 1.057 276 R CB 0.511 30.881 30.300 0.118 0.000 0.973 276 R HN 0.520 nan 8.270 nan 0.000 0.438 277 L N 1.054 122.331 121.223 0.090 0.000 2.547 277 L HA 0.242 4.582 4.340 0.000 0.000 0.218 277 L C 0.420 177.383 176.870 0.155 0.000 1.048 277 L CA 1.102 56.000 54.840 0.095 0.000 0.859 277 L CB -0.059 42.042 42.059 0.070 0.000 1.128 277 L HN 0.591 nan 8.230 nan 0.000 0.483 278 H N -0.951 118.105 119.070 -0.023 0.000 2.987 278 H HA 0.374 4.930 4.556 0.000 0.000 0.316 278 H C -1.244 174.030 175.328 -0.090 0.000 1.380 278 H CA -0.686 55.332 56.048 -0.050 0.000 1.160 278 H CB 2.058 31.779 29.762 -0.068 0.000 1.865 278 H HN -0.107 nan 8.280 nan 0.000 0.521 279 R N 3.505 123.714 120.500 -0.486 0.000 2.510 279 R HA 0.256 4.596 4.340 0.000 0.000 0.294 279 R C -1.498 174.614 176.300 -0.313 0.000 1.056 279 R CA -0.756 55.143 56.100 -0.335 0.000 0.918 279 R CB 0.820 30.903 30.300 -0.362 0.000 1.187 279 R HN 0.234 nan 8.270 nan 0.000 0.437 280 L N 5.665 126.768 121.223 -0.199 0.000 2.261 280 L HA 0.443 4.783 4.340 0.000 0.000 0.289 280 L C 0.658 177.429 176.870 -0.164 0.000 1.059 280 L CA -0.076 54.673 54.840 -0.151 0.000 0.816 280 L CB 0.693 42.602 42.059 -0.249 0.000 1.191 280 L HN 0.596 nan 8.230 nan 0.000 0.431 281 R N 1.518 121.867 120.500 -0.252 0.000 2.583 281 R HA 0.731 5.072 4.340 0.000 0.000 0.268 281 R C 0.172 176.032 176.300 -0.734 0.000 1.101 281 R CA -0.572 55.333 56.100 -0.325 0.000 1.180 281 R CB 0.754 30.971 30.300 -0.139 0.000 1.128 281 R HN 0.699 nan 8.270 nan 0.000 0.568 282 A N 0.542 122.892 122.820 -0.784 0.000 2.247 282 A HA 0.192 4.512 4.320 0.000 0.000 0.313 282 A C 0.455 177.803 177.584 -0.393 0.000 1.109 282 A CA -0.566 50.819 52.037 -1.087 0.000 0.890 282 A CB 0.512 19.043 19.000 -0.781 0.000 1.239 282 A HN 0.944 nan 8.150 nan 0.000 0.506 283 E N -1.258 118.830 120.200 -0.187 0.000 2.490 283 E HA 0.191 4.541 4.350 0.000 0.000 0.209 283 E C 0.232 176.894 176.600 0.103 0.000 0.971 283 E CA -0.045 56.377 56.400 0.037 0.000 0.988 283 E CB 0.418 30.226 29.700 0.180 0.000 1.029 283 E HN 0.548 nan 8.360 nan 0.000 0.496 284 Q N 1.198 121.064 119.800 0.110 0.000 2.289 284 Q HA 0.333 4.673 4.340 0.000 0.000 0.270 284 Q C -1.132 174.908 176.000 0.068 0.000 1.038 284 Q CA -0.638 55.208 55.803 0.072 0.000 0.812 284 Q CB 1.959 30.699 28.738 0.002 0.000 1.300 284 Q HN 0.103 nan 8.270 nan 0.000 0.427 285 M N 2.378 122.005 119.600 0.045 0.000 2.245 285 M HA 0.243 4.723 4.480 0.000 0.000 0.344 285 M C 0.877 177.227 176.300 0.083 0.000 1.170 285 M CA 1.061 56.398 55.300 0.061 0.000 1.135 285 M CB 0.581 33.209 32.600 0.047 0.000 1.574 285 M HN 0.996 nan 8.290 nan 0.000 0.452 286 A N 0.979 123.868 122.820 0.116 0.000 3.172 286 A HA -0.199 4.121 4.320 0.000 0.000 0.263 286 A C 1.544 179.275 177.584 0.245 0.000 1.215 286 A CA 1.288 53.433 52.037 0.179 0.000 1.065 286 A CB -2.482 16.603 19.000 0.141 0.000 1.148 286 A HN 1.033 nan 8.150 nan 0.000 0.904 287 S N -2.465 113.373 115.700 0.230 0.000 2.489 287 S HA 0.124 4.594 4.470 0.000 0.000 0.228 287 S C 0.745 175.596 174.600 0.418 0.000 0.995 287 S CA 1.307 59.688 58.200 0.301 0.000 0.934 287 S CB -0.352 63.053 63.200 0.342 0.000 0.771 287 S HN 1.728 nan 8.310 nan 0.000 0.522 288 Y N -0.189 120.236 120.300 0.210 0.000 3.661 288 Y HA -0.195 4.355 4.550 0.000 0.000 0.224 288 Y C -0.128 175.900 175.900 0.214 0.000 1.342 288 Y CA 0.016 58.225 58.100 0.182 0.000 1.723 288 Y CB -2.371 36.195 38.460 0.176 0.000 1.546 288 Y HN 0.552 nan 8.280 nan 0.000 0.631 289 F N 1.310 121.298 119.950 0.064 0.000 2.506 289 F HA 0.425 4.952 4.527 0.000 0.000 0.369 289 F C 1.125 176.900 175.800 -0.042 0.000 1.114 289 F CA 1.525 59.538 58.000 0.022 0.000 1.121 289 F CB 0.232 39.204 39.000 -0.047 0.000 1.104 289 F HN 0.358 nan 8.300 nan 0.000 0.564 290 G N 4.254 112.891 108.800 -0.272 0.000 2.318 290 G HA2 -0.271 3.689 3.960 0.000 0.000 0.172 290 G HA3 -0.271 3.689 3.960 0.000 0.000 0.172 290 G C 1.279 176.146 174.900 -0.054 0.000 1.002 290 G CA 0.091 45.050 45.100 -0.235 0.000 0.697 290 G HN 0.691 nan 8.290 nan 0.000 0.483 291 H N 1.214 120.257 119.070 -0.046 0.000 2.319 291 H HA 0.057 4.613 4.556 0.000 0.000 0.297 291 H C 0.726 176.103 175.328 0.082 0.000 1.097 291 H CA 2.268 58.368 56.048 0.086 0.000 1.285 291 H CB 0.071 29.941 29.762 0.179 0.000 1.368 291 H HN 0.379 nan 8.280 nan 0.000 0.495 292 S N -0.409 115.421 115.700 0.217 0.000 2.566 292 S HA 0.538 5.008 4.470 0.000 0.000 0.298 292 S C -0.836 173.743 174.600 -0.035 0.000 1.083 292 S CA -0.353 57.899 58.200 0.088 0.000 0.978 292 S CB 2.887 66.099 63.200 0.019 0.000 1.073 292 S HN 0.287 nan 8.310 nan 0.000 0.491 293 V N -0.768 119.119 119.914 -0.045 0.000 2.624 293 V HA 0.924 5.044 4.120 0.000 0.000 0.294 293 V C -0.450 175.620 176.094 -0.040 0.000 1.077 293 V CA -0.903 61.354 62.300 -0.071 0.000 0.905 293 V CB 0.686 32.444 31.823 -0.108 0.000 1.025 293 V HN 1.019 nan 8.190 nan 0.000 0.440 294 A N 3.856 126.667 122.820 -0.015 0.000 2.337 294 A HA 1.012 5.332 4.320 0.000 0.000 0.331 294 A C -0.703 176.909 177.584 0.047 0.000 1.137 294 A CA -0.914 51.128 52.037 0.008 0.000 0.807 294 A CB 2.159 21.164 19.000 0.009 0.000 1.250 294 A HN 1.422 nan 8.150 nan 0.000 0.468 295 V N 0.685 120.621 119.914 0.037 0.000 2.638 295 V HA 0.846 4.966 4.120 0.000 0.000 0.306 295 V C -0.105 175.991 176.094 0.003 0.000 1.052 295 V CA 0.017 62.343 62.300 0.043 0.000 0.885 295 V CB 1.731 33.552 31.823 -0.003 0.000 0.999 295 V HN 1.252 nan 8.190 nan 0.000 0.424 296 T N 2.163 116.767 114.554 0.083 0.000 2.800 296 T HA 0.195 4.545 4.350 0.000 0.000 0.327 296 T C -2.270 172.549 174.700 0.198 0.000 1.838 296 T CA -0.564 61.636 62.100 0.167 0.000 1.024 296 T CB 1.693 70.629 68.868 0.113 0.000 1.755 296 T HN 0.729 nan 8.240 nan 0.000 0.507 297 D N 2.343 122.855 120.400 0.186 0.000 2.441 297 D HA 0.315 4.955 4.640 0.000 0.000 0.221 297 D C 1.666 178.031 176.300 0.107 0.000 1.156 297 D CA -0.226 53.837 54.000 0.106 0.000 0.896 297 D CB 0.782 41.602 40.800 0.034 0.000 1.028 297 D HN 0.439 nan 8.370 nan 0.000 0.509 298 V N 1.805 121.778 119.914 0.098 0.000 3.129 298 V HA 0.022 4.142 4.120 0.000 0.000 0.259 298 V C 0.893 177.027 176.094 0.066 0.000 1.116 298 V CA 0.903 63.256 62.300 0.087 0.000 1.127 298 V CB -0.671 31.189 31.823 0.061 0.000 0.742 298 V HN 0.486 nan 8.190 nan 0.000 0.474 299 N N 0.175 118.915 118.700 0.067 0.000 2.351 299 N HA 0.300 5.040 4.740 0.000 0.000 0.254 299 N C 1.282 176.939 175.510 0.245 0.000 1.241 299 N CA -0.021 53.035 53.050 0.011 0.000 0.883 299 N CB 0.250 38.705 38.487 -0.053 0.000 1.202 299 N HN 0.593 nan 8.380 nan 0.000 0.512 300 G N 1.485 110.485 108.800 0.334 0.000 2.200 300 G HA2 -0.406 3.554 3.960 0.000 0.000 0.268 300 G HA3 -0.406 3.554 3.960 0.000 0.000 0.268 300 G C 0.419 175.394 174.900 0.125 0.000 0.986 300 G CA 0.965 46.216 45.100 0.252 0.000 0.677 300 G HN 0.674 nan 8.290 nan 0.000 0.532 301 D N -0.784 119.672 120.400 0.092 0.000 2.363 301 D HA 0.352 4.992 4.640 0.000 0.000 0.226 301 D C 1.884 178.182 176.300 -0.004 0.000 1.020 301 D CA 0.770 54.796 54.000 0.043 0.000 0.892 301 D CB -0.599 40.224 40.800 0.038 0.000 0.900 301 D HN 1.496 nan 8.370 nan 0.000 0.531 302 G N -0.204 108.579 108.800 -0.028 0.000 2.179 302 G HA2 -0.310 3.650 3.960 0.000 0.000 0.260 302 G HA3 -0.310 3.650 3.960 0.000 0.000 0.260 302 G C 0.221 175.032 174.900 -0.147 0.000 0.977 302 G CA -0.072 44.980 45.100 -0.080 0.000 0.641 302 G HN 0.463 nan 8.290 nan 0.000 0.533 303 R N -0.110 120.311 120.500 -0.132 0.000 2.599 303 R HA 0.459 4.799 4.340 0.000 0.000 0.295 303 R C -0.366 175.823 176.300 -0.186 0.000 0.963 303 R CA -0.859 55.127 56.100 -0.189 0.000 0.883 303 R CB 0.983 31.222 30.300 -0.101 0.000 1.171 303 R HN 0.489 nan 8.270 nan 0.000 0.450 304 H N 1.165 120.082 119.070 -0.255 0.000 2.928 304 H HA -0.001 4.555 4.556 0.000 0.000 0.338 304 H C -0.232 174.956 175.328 -0.234 0.000 1.047 304 H CA 0.394 56.256 56.048 -0.310 0.000 1.435 304 H CB 0.660 30.073 29.762 -0.582 0.000 1.428 304 H HN 0.325 nan 8.280 nan 0.000 0.590 305 D N 1.792 122.274 120.400 0.138 0.000 2.384 305 D HA 0.274 4.914 4.640 0.000 0.000 0.250 305 D C -0.652 175.850 176.300 0.338 0.000 1.029 305 D CA -0.666 53.469 54.000 0.226 0.000 0.990 305 D CB 2.368 43.265 40.800 0.161 0.000 1.175 305 D HN 0.123 nan 8.370 nan 0.000 0.532 306 L N 0.808 122.260 121.223 0.381 0.000 2.362 306 L HA 0.478 4.818 4.340 0.000 0.000 0.275 306 L C -1.599 175.458 176.870 0.312 0.000 0.998 306 L CA -0.455 54.585 54.840 0.333 0.000 0.820 306 L CB 1.395 43.601 42.059 0.245 0.000 1.270 306 L HN 0.254 nan 8.230 nan 0.000 0.415 307 L N 5.391 126.727 121.223 0.189 0.000 2.341 307 L HA 0.756 5.096 4.340 0.000 0.000 0.278 307 L C -1.057 175.860 176.870 0.078 0.000 1.005 307 L CA -0.681 54.246 54.840 0.145 0.000 0.818 307 L CB 2.128 44.225 42.059 0.063 0.000 1.259 307 L HN 0.324 nan 8.230 nan 0.000 0.418 308 V N 1.791 121.765 119.914 0.101 0.000 2.577 308 V HA 0.649 4.769 4.120 0.000 0.000 0.303 308 V C 0.281 176.354 176.094 -0.034 0.000 1.042 308 V CA -0.614 61.630 62.300 -0.093 0.000 0.872 308 V CB 1.828 33.434 31.823 -0.362 0.000 0.998 308 V HN 0.819 nan 8.190 nan 0.000 0.423 309 G N 2.675 111.420 108.800 -0.092 0.000 2.367 309 G HA2 0.649 4.609 3.960 0.000 0.000 0.314 309 G HA3 0.649 4.609 3.960 0.000 0.000 0.314 309 G C -0.227 174.702 174.900 0.049 0.000 1.130 309 G CA -0.122 44.967 45.100 -0.019 0.000 0.864 309 G HN 1.213 nan 8.290 nan 0.000 0.486 310 A N 3.845 126.789 122.820 0.207 0.000 3.266 310 A HA 0.623 4.943 4.320 0.000 0.000 0.310 310 A C -1.235 176.543 177.584 0.323 0.000 1.066 310 A CA -0.989 51.252 52.037 0.340 0.000 0.839 310 A CB 1.261 20.603 19.000 0.570 0.000 1.192 310 A HN 0.446 nan 8.150 nan 0.000 0.496 311 P HA -0.169 nan 4.420 nan 0.000 0.219 311 P C 0.753 178.187 177.300 0.222 0.000 1.144 311 P CA 1.023 64.201 63.100 0.130 0.000 0.806 311 P CB 0.301 31.953 31.700 -0.079 0.000 0.771 312 L N -2.772 118.615 121.223 0.273 0.000 2.607 312 L HA 0.214 4.554 4.340 0.000 0.000 0.228 312 L C 0.863 177.892 176.870 0.265 0.000 1.123 312 L CA -1.113 53.879 54.840 0.254 0.000 0.890 312 L CB -1.803 40.399 42.059 0.238 0.000 1.103 312 L HN -0.089 nan 8.230 nan 0.000 0.468 313 Y N 1.364 121.804 120.300 0.233 0.000 2.881 313 Y HA -0.068 4.482 4.550 0.000 0.000 0.335 313 Y C 0.483 176.485 175.900 0.170 0.000 1.263 313 Y CA 0.556 58.788 58.100 0.220 0.000 1.572 313 Y CB 0.137 38.750 38.460 0.256 0.000 1.237 313 Y HN 0.047 nan 8.280 nan 0.000 0.568 314 M N 6.925 126.251 119.600 -0.456 0.000 2.080 314 M HA 0.178 4.658 4.480 0.000 0.000 0.350 314 M C -0.189 175.908 176.300 -0.338 0.000 1.173 314 M CA -0.251 54.911 55.300 -0.229 0.000 1.052 314 M CB 1.075 33.584 32.600 -0.152 0.000 1.577 314 M HN 0.681 nan 8.290 nan 0.000 0.455 315 E N 1.740 121.997 120.200 0.095 0.000 2.343 315 E HA 0.202 4.552 4.350 0.000 0.000 0.269 315 E C -0.748 175.922 176.600 0.116 0.000 1.047 315 E CA -0.276 56.292 56.400 0.279 0.000 0.874 315 E CB 1.095 30.951 29.700 0.260 0.000 1.033 315 E HN 0.511 nan 8.360 nan 0.000 0.409 316 S N 3.102 118.880 115.700 0.130 0.000 2.701 316 S HA 0.184 4.654 4.470 0.000 0.000 0.317 316 S C -0.175 174.454 174.600 0.049 0.000 1.149 316 S CA -0.408 57.834 58.200 0.069 0.000 1.052 316 S CB 0.002 63.245 63.200 0.071 0.000 1.257 316 S HN 0.343 nan 8.310 nan 0.000 0.532 317 R N 1.925 122.445 120.500 0.033 0.000 2.583 317 R HA 0.595 4.935 4.340 0.000 0.000 0.268 317 R C 0.485 176.794 176.300 0.015 0.000 1.101 317 R CA -0.302 55.810 56.100 0.020 0.000 1.180 317 R CB 0.233 30.540 30.300 0.011 0.000 1.128 317 R HN 0.601 nan 8.270 nan 0.000 0.568 318 A N 0.987 123.813 122.820 0.010 0.000 2.445 318 A HA 0.232 4.552 4.320 0.000 0.000 0.242 318 A C -0.070 177.518 177.584 0.007 0.000 1.075 318 A CA 0.735 52.777 52.037 0.008 0.000 0.777 318 A CB -0.203 18.800 19.000 0.005 0.000 1.013 318 A HN 0.849 nan 8.150 nan 0.000 0.493 319 D N -0.585 119.819 120.400 0.007 0.000 2.956 319 D HA -0.136 4.504 4.640 0.000 0.000 0.223 319 D C 0.415 176.720 176.300 0.007 0.000 1.102 319 D CA 0.935 54.939 54.000 0.006 0.000 0.797 319 D CB -0.748 40.055 40.800 0.005 0.000 1.094 319 D HN 0.726 nan 8.370 nan 0.000 0.438 320 R N -2.217 118.288 120.500 0.008 0.000 3.875 320 R HA -0.231 4.109 4.340 0.000 0.000 0.321 320 R C 0.177 176.482 176.300 0.008 0.000 1.196 320 R CA 1.859 57.964 56.100 0.008 0.000 0.868 320 R CB -2.316 27.988 30.300 0.007 0.000 1.333 320 R HN 0.756 nan 8.270 nan 0.000 0.522 321 K N -0.257 120.148 120.400 0.009 0.000 2.238 321 K HA 0.748 5.068 4.320 0.000 0.000 0.239 321 K C -0.134 176.471 176.600 0.009 0.000 0.987 321 K CA -0.956 55.337 56.287 0.009 0.000 0.857 321 K CB 1.628 34.132 32.500 0.008 0.000 1.154 321 K HN -0.010 nan 8.250 nan 0.000 0.439 322 L N 0.434 121.661 121.223 0.007 0.000 2.323 322 L HA 0.757 5.097 4.340 0.000 0.000 0.265 322 L C -0.996 175.879 176.870 0.008 0.000 1.012 322 L CA -1.206 53.636 54.840 0.003 0.000 0.820 322 L CB 2.302 44.353 42.059 -0.013 0.000 1.334 322 L HN 0.961 nan 8.230 nan 0.000 0.427 323 A N 1.196 124.024 122.820 0.012 0.000 2.402 323 A HA 0.372 4.692 4.320 0.000 0.000 0.291 323 A C -0.830 176.780 177.584 0.042 0.000 1.051 323 A CA -0.499 51.542 52.037 0.006 0.000 0.716 323 A CB 1.333 20.323 19.000 -0.017 0.000 1.223 323 A HN 0.729 nan 8.150 nan 0.000 0.425 324 E N 1.955 122.195 120.200 0.066 0.000 2.265 324 E HA 0.298 4.648 4.350 0.000 0.000 0.272 324 E C 0.482 177.172 176.600 0.149 0.000 1.067 324 E CA 0.446 56.935 56.400 0.149 0.000 0.900 324 E CB 0.498 30.359 29.700 0.269 0.000 1.017 324 E HN 0.869 nan 8.360 nan 0.000 0.431 325 V N 1.181 121.219 119.914 0.206 0.000 3.294 325 V HA 0.467 4.587 4.120 0.000 0.000 0.255 325 V C 0.624 176.894 176.094 0.293 0.000 1.528 325 V CA 0.410 62.831 62.300 0.201 0.000 1.086 325 V CB -0.078 31.822 31.823 0.128 0.000 0.906 325 V HN 0.868 nan 8.190 nan 0.000 0.433 326 G N 0.814 109.830 108.800 0.360 0.000 2.662 326 G HA2 0.172 4.132 3.960 0.000 0.000 0.686 326 G HA3 0.172 4.132 3.960 0.000 0.000 0.686 326 G C -0.695 174.456 174.900 0.419 0.000 1.271 326 G CA -0.128 45.216 45.100 0.407 0.000 0.816 326 G HN 1.092 nan 8.290 nan 0.000 0.608 327 R N -0.981 119.749 120.500 0.383 0.000 2.634 327 R HA 0.638 4.978 4.340 0.000 0.000 0.263 327 R C -1.432 174.978 176.300 0.184 0.000 1.060 327 R CA -0.755 55.468 56.100 0.205 0.000 0.898 327 R CB 1.696 31.838 30.300 -0.263 0.000 1.253 327 R HN 0.975 nan 8.270 nan 0.000 0.461 328 V N 3.002 122.958 119.914 0.071 0.000 2.815 328 V HA 0.598 4.718 4.120 0.000 0.000 0.314 328 V C -1.319 174.714 176.094 -0.101 0.000 1.064 328 V CA -0.626 61.703 62.300 0.050 0.000 0.952 328 V CB 1.864 33.652 31.823 -0.059 0.000 1.020 328 V HN 0.631 nan 8.190 nan 0.000 0.439 329 Y N 3.011 123.311 120.300 -0.001 0.000 2.391 329 Y HA 0.683 5.233 4.550 0.000 0.000 0.341 329 Y C -0.383 175.445 175.900 -0.119 0.000 0.965 329 Y CA -0.883 57.184 58.100 -0.055 0.000 1.067 329 Y CB 1.857 40.425 38.460 0.180 0.000 1.199 329 Y HN 0.504 nan 8.280 nan 0.000 0.450 330 L N 4.238 125.342 121.223 -0.199 0.000 2.307 330 L HA 0.710 5.050 4.340 0.000 0.000 0.284 330 L C -1.881 174.757 176.870 -0.386 0.000 1.023 330 L CA -0.590 54.164 54.840 -0.143 0.000 0.810 330 L CB 0.372 42.362 42.059 -0.113 0.000 1.231 330 L HN 0.417 nan 8.230 nan 0.000 0.423 331 F N 5.641 125.657 119.950 0.109 0.000 2.499 331 F HA 0.512 5.039 4.527 0.000 0.000 0.333 331 F C -0.472 175.396 175.800 0.114 0.000 1.138 331 F CA -0.553 57.514 58.000 0.113 0.000 0.945 331 F CB 1.339 40.412 39.000 0.122 0.000 1.181 331 F HN 0.242 nan 8.300 nan 0.000 0.435 332 L N 2.697 124.037 121.223 0.196 0.000 2.357 332 L HA 0.420 4.760 4.340 0.000 0.000 0.273 332 L C 0.190 177.162 176.870 0.171 0.000 1.080 332 L CA -0.759 54.171 54.840 0.151 0.000 0.803 332 L CB 1.196 43.301 42.059 0.076 0.000 1.174 332 L HN 0.579 nan 8.230 nan 0.000 0.443 333 Q N 3.889 123.779 119.800 0.150 0.000 2.323 333 Q HA 0.270 4.610 4.340 0.000 0.000 0.257 333 Q C -2.327 173.729 176.000 0.094 0.000 1.022 333 Q CA -1.689 54.198 55.803 0.140 0.000 0.919 333 Q CB 1.025 29.821 28.738 0.097 0.000 1.220 333 Q HN 0.263 nan 8.270 nan 0.000 0.427 334 P HA 0.169 nan 4.420 nan 0.000 0.284 334 P C -0.953 176.424 177.300 0.127 0.000 1.253 334 P CA -0.280 62.870 63.100 0.084 0.000 0.800 334 P CB 0.741 32.475 31.700 0.057 0.000 0.961 335 R N 1.748 122.324 120.500 0.125 0.000 2.543 335 R HA 0.505 4.845 4.340 0.000 0.000 0.277 335 R C 1.014 177.439 176.300 0.209 0.000 1.074 335 R CA 0.381 56.555 56.100 0.124 0.000 1.076 335 R CB -0.296 30.054 30.300 0.083 0.000 0.993 335 R HN 0.877 nan 8.270 nan 0.000 0.459 336 G N 3.164 112.018 108.800 0.090 0.000 2.725 336 G HA2 -0.206 3.754 3.960 0.000 0.000 0.220 336 G HA3 -0.206 3.754 3.960 0.000 0.000 0.220 336 G C -2.329 172.497 174.900 -0.123 0.000 1.357 336 G CA -1.054 44.043 45.100 -0.004 0.000 0.866 336 G HN 0.416 nan 8.290 nan 0.000 0.548 337 P HA 0.194 nan 4.420 nan 0.000 0.238 337 P C -0.250 176.797 177.300 -0.422 0.000 1.649 337 P CA 0.892 63.813 63.100 -0.297 0.000 0.960 337 P CB -0.847 30.705 31.700 -0.246 0.000 1.911 338 H N -0.391 118.698 119.070 0.031 0.000 2.637 338 H HA 0.599 5.155 4.556 0.000 0.000 0.363 338 H C 0.057 175.386 175.328 0.001 0.000 1.131 338 H CA -1.212 54.851 56.048 0.025 0.000 1.183 338 H CB 1.532 31.309 29.762 0.025 0.000 1.637 338 H HN 0.053 nan 8.280 nan 0.000 0.531 339 A N 2.331 125.229 122.820 0.130 0.000 2.425 339 A HA 0.249 4.569 4.320 0.000 0.000 0.249 339 A C -0.474 177.029 177.584 -0.135 0.000 1.084 339 A CA -0.412 51.599 52.037 -0.043 0.000 0.781 339 A CB -0.049 19.022 19.000 0.118 0.000 1.019 339 A HN 0.482 nan 8.150 nan 0.000 0.490 340 L N 3.339 124.290 121.223 -0.455 0.000 2.456 340 L HA 0.342 4.682 4.340 0.000 0.000 0.277 340 L C 1.306 178.168 176.870 -0.012 0.000 1.124 340 L CA 1.068 55.796 54.840 -0.186 0.000 0.880 340 L CB 0.223 42.158 42.059 -0.207 0.000 1.192 340 L HN 0.891 nan 8.230 nan 0.000 0.463 341 G N 2.379 111.249 108.800 0.117 0.000 2.485 341 G HA2 0.496 4.456 3.960 0.000 0.000 0.260 341 G HA3 0.496 4.456 3.960 0.000 0.000 0.260 341 G C 0.120 175.187 174.900 0.278 0.000 1.459 341 G CA -0.089 45.116 45.100 0.175 0.000 1.060 341 G HN 0.861 nan 8.290 nan 0.000 0.546 342 A N -0.198 122.747 122.820 0.207 0.000 2.433 342 A HA 0.460 4.780 4.320 0.000 0.000 0.250 342 A C -2.024 175.630 177.584 0.117 0.000 1.113 342 A CA -0.353 51.808 52.037 0.207 0.000 0.794 342 A CB -0.653 18.417 19.000 0.117 0.000 1.067 342 A HN 0.423 nan 8.150 nan 0.000 0.510 343 P HA 0.175 nan 4.420 nan 0.000 0.267 343 P C 0.261 177.424 177.300 -0.229 0.000 1.209 343 P CA 0.188 63.044 63.100 -0.406 0.000 0.763 343 P CB 0.901 32.460 31.700 -0.235 0.000 0.816 344 S N 2.076 117.626 115.700 -0.251 0.000 2.489 344 S HA 0.070 4.540 4.470 0.000 0.000 0.228 344 S C 0.484 175.001 174.600 -0.138 0.000 0.995 344 S CA 0.516 58.637 58.200 -0.132 0.000 0.934 344 S CB -0.362 62.787 63.200 -0.085 0.000 0.771 344 S HN 0.398 nan 8.310 nan 0.000 0.522 345 L N 0.334 121.440 121.223 -0.196 0.000 2.643 345 L HA 0.458 4.798 4.340 0.000 0.000 0.257 345 L C -2.299 174.420 176.870 -0.251 0.000 0.922 345 L CA -0.474 54.257 54.840 -0.182 0.000 0.909 345 L CB 1.370 43.342 42.059 -0.145 0.000 1.424 345 L HN -0.127 nan 8.230 nan 0.000 0.422 346 L N 5.586 126.654 121.223 -0.258 0.000 2.371 346 L HA 0.503 4.843 4.340 0.000 0.000 0.262 346 L C -0.646 176.038 176.870 -0.310 0.000 1.054 346 L CA 0.074 54.693 54.840 -0.368 0.000 0.924 346 L CB 0.918 42.755 42.059 -0.371 0.000 1.295 346 L HN 0.474 nan 8.230 nan 0.000 0.441 347 L N 2.056 123.104 121.223 -0.291 0.000 2.319 347 L HA 0.519 4.859 4.340 0.000 0.000 0.280 347 L C 0.664 177.420 176.870 -0.190 0.000 1.099 347 L CA -0.086 54.607 54.840 -0.245 0.000 0.828 347 L CB 1.039 42.900 42.059 -0.330 0.000 1.150 347 L HN 0.561 nan 8.230 nan 0.000 0.442 348 T N 0.931 115.312 114.554 -0.289 0.000 2.886 348 T HA 0.582 4.932 4.350 0.000 0.000 0.292 348 T C 0.296 174.696 174.700 -0.500 0.000 1.012 348 T CA -0.369 61.560 62.100 -0.285 0.000 0.982 348 T CB 1.713 70.440 68.868 -0.235 0.000 1.018 348 T HN 0.683 nan 8.240 nan 0.000 0.451 349 G N 1.329 109.837 108.800 -0.486 0.000 2.750 349 G HA2 0.377 4.337 3.960 0.000 0.000 0.250 349 G HA3 0.377 4.337 3.960 0.000 0.000 0.250 349 G C 0.997 175.780 174.900 -0.196 0.000 1.230 349 G CA 0.387 45.216 45.100 -0.452 0.000 0.883 349 G HN 1.326 nan 8.290 nan 0.000 0.573 350 T N -3.572 110.912 114.554 -0.117 0.000 3.057 350 T HA 0.174 4.524 4.350 0.000 0.000 0.254 350 T C 0.884 175.575 174.700 -0.014 0.000 0.965 350 T CA 0.236 62.301 62.100 -0.059 0.000 0.978 350 T CB 0.035 68.865 68.868 -0.063 0.000 1.169 350 T HN 0.481 nan 8.240 nan 0.000 0.489 351 Q N 1.733 121.545 119.800 0.019 0.000 2.288 351 Q HA 0.527 4.867 4.340 0.000 0.000 0.254 351 Q C -0.640 175.377 176.000 0.029 0.000 0.932 351 Q CA -0.809 55.015 55.803 0.035 0.000 0.902 351 Q CB 0.927 29.714 28.738 0.081 0.000 1.203 351 Q HN 0.473 nan 8.270 nan 0.000 0.415 352 L N 5.705 126.895 121.223 -0.056 0.000 2.410 352 L HA 0.102 4.442 4.340 0.000 0.000 0.273 352 L C -0.695 176.100 176.870 -0.125 0.000 1.152 352 L CA 0.850 55.557 54.840 -0.222 0.000 0.855 352 L CB -0.306 41.473 42.059 -0.465 0.000 1.129 352 L HN 0.802 nan 8.230 nan 0.000 0.463 353 Y N 1.622 121.985 120.300 0.105 0.000 4.907 353 Y HA -0.231 4.319 4.550 0.000 0.000 0.246 353 Y C 1.725 177.723 175.900 0.164 0.000 0.968 353 Y CA 0.852 59.010 58.100 0.098 0.000 1.961 353 Y CB -2.337 36.154 38.460 0.052 0.000 1.487 353 Y HN 0.671 nan 8.280 nan 0.000 0.575 354 G N -0.109 108.887 108.800 0.326 0.000 2.598 354 G HA2 -0.020 3.940 3.960 0.000 0.000 0.215 354 G HA3 -0.020 3.940 3.960 0.000 0.000 0.215 354 G C 0.838 175.959 174.900 0.370 0.000 1.131 354 G CA 0.498 45.812 45.100 0.356 0.000 0.785 354 G HN 0.411 nan 8.290 nan 0.000 0.539 355 R N -1.685 119.008 120.500 0.322 0.000 3.209 355 R HA -0.191 4.149 4.340 0.000 0.000 0.252 355 R C -0.241 176.186 176.300 0.213 0.000 0.958 355 R CA 0.098 56.353 56.100 0.258 0.000 0.651 355 R CB -2.365 28.085 30.300 0.251 0.000 1.142 355 R HN 0.343 nan 8.270 nan 0.000 0.441 356 F N 0.469 120.492 119.950 0.121 0.000 2.529 356 F HA 0.355 4.882 4.527 0.000 0.000 0.365 356 F C 1.645 177.476 175.800 0.051 0.000 1.102 356 F CA 1.514 59.565 58.000 0.085 0.000 1.271 356 F CB 0.815 39.867 39.000 0.087 0.000 1.120 356 F HN 0.408 nan 8.300 nan 0.000 0.579 357 G N 2.836 111.197 108.800 -0.732 0.000 2.195 357 G HA2 -0.344 3.616 3.960 0.000 0.000 0.224 357 G HA3 -0.344 3.616 3.960 0.000 0.000 0.224 357 G C 1.239 175.945 174.900 -0.323 0.000 0.990 357 G CA 0.517 45.324 45.100 -0.488 0.000 0.639 357 G HN 0.954 nan 8.290 nan 0.000 0.514 358 S N -0.147 115.364 115.700 -0.315 0.000 2.420 358 S HA 0.345 4.815 4.470 0.000 0.000 0.237 358 S C 1.140 175.514 174.600 -0.376 0.000 1.023 358 S CA 2.253 60.203 58.200 -0.417 0.000 0.991 358 S CB -0.203 62.858 63.200 -0.232 0.000 0.792 358 S HN 2.096 nan 8.310 nan 0.000 0.488 359 A N -0.148 122.498 122.820 -0.290 0.000 2.517 359 A HA 0.702 5.022 4.320 0.000 0.000 0.297 359 A C -1.321 176.146 177.584 -0.195 0.000 1.050 359 A CA -0.686 51.213 52.037 -0.231 0.000 0.694 359 A CB 1.097 19.943 19.000 -0.257 0.000 1.277 359 A HN 0.329 nan 8.150 nan 0.000 0.400 360 I N 1.613 122.101 120.570 -0.137 0.000 2.500 360 I HA 0.591 4.761 4.170 0.000 0.000 0.286 360 I C 0.145 176.230 176.117 -0.054 0.000 1.063 360 I CA -0.456 60.783 61.300 -0.101 0.000 1.062 360 I CB 2.073 40.018 38.000 -0.091 0.000 1.223 360 I HN 0.790 nan 8.210 nan 0.000 0.435 361 A N 8.360 131.164 122.820 -0.027 0.000 2.318 361 A HA 0.804 5.124 4.320 0.000 0.000 0.317 361 A C -2.694 174.914 177.584 0.040 0.000 1.159 361 A CA -1.627 50.413 52.037 0.006 0.000 0.799 361 A CB 0.937 19.942 19.000 0.009 0.000 1.194 361 A HN 0.377 nan 8.150 nan 0.000 0.479 362 P HA 0.283 nan 4.420 nan 0.000 0.280 362 P C -0.346 177.001 177.300 0.078 0.000 1.300 362 P CA 0.161 63.301 63.100 0.066 0.000 0.785 362 P CB 0.590 32.327 31.700 0.062 0.000 0.874 363 L N 2.527 123.799 121.223 0.082 0.000 2.482 363 L HA 0.406 4.746 4.340 0.000 0.000 0.242 363 L C 1.975 178.885 176.870 0.067 0.000 1.210 363 L CA -0.302 54.586 54.840 0.080 0.000 0.819 363 L CB -0.161 41.947 42.059 0.082 0.000 1.203 363 L HN 0.376 nan 8.230 nan 0.000 0.495 364 G N -0.890 107.940 108.800 0.050 0.000 3.224 364 G HA2 -0.023 3.937 3.960 0.000 0.000 0.161 364 G HA3 -0.023 3.937 3.960 0.000 0.000 0.161 364 G C -0.734 174.196 174.900 0.050 0.000 1.872 364 G CA 0.072 45.193 45.100 0.035 0.000 1.012 364 G HN 0.586 nan 8.290 nan 0.000 0.504 365 D N 0.291 120.711 120.400 0.033 0.000 2.479 365 D HA 0.314 4.954 4.640 0.000 0.000 0.247 365 D C 1.752 178.093 176.300 0.068 0.000 1.119 365 D CA -0.325 53.704 54.000 0.048 0.000 0.922 365 D CB 0.513 41.321 40.800 0.013 0.000 1.014 365 D HN 0.119 nan 8.370 nan 0.000 0.510 366 L N 1.628 122.909 121.223 0.097 0.000 1.963 366 L HA -0.235 4.105 4.340 0.000 0.000 0.220 366 L C 1.672 178.652 176.870 0.183 0.000 1.076 366 L CA 1.756 56.677 54.840 0.135 0.000 0.772 366 L CB -0.166 41.955 42.059 0.103 0.000 0.892 366 L HN 0.439 nan 8.230 nan 0.000 0.435 367 D N -1.087 119.395 120.400 0.136 0.000 2.363 367 D HA -0.143 4.497 4.640 0.000 0.000 0.226 367 D C 0.800 177.181 176.300 0.136 0.000 1.020 367 D CA 0.089 54.171 54.000 0.137 0.000 0.892 367 D CB -0.083 40.775 40.800 0.097 0.000 0.900 367 D HN 0.188 nan 8.370 nan 0.000 0.531 368 R N 0.224 120.781 120.500 0.096 0.000 4.000 368 R HA -0.160 4.180 4.340 0.000 0.000 0.362 368 R C 0.285 176.584 176.300 -0.001 0.000 1.183 368 R CA 1.258 57.371 56.100 0.021 0.000 1.011 368 R CB -2.822 27.485 30.300 0.011 0.000 1.501 368 R HN 0.563 nan 8.270 nan 0.000 0.553 369 D N 0.510 120.925 120.400 0.026 0.000 2.371 369 D HA 0.042 4.682 4.640 0.000 0.000 0.234 369 D C 1.249 177.463 176.300 -0.144 0.000 1.049 369 D CA 1.072 55.069 54.000 -0.004 0.000 0.907 369 D CB -0.279 40.570 40.800 0.081 0.000 0.891 369 D HN 0.548 nan 8.370 nan 0.000 0.531 370 G N -0.620 108.085 108.800 -0.159 0.000 2.141 370 G HA2 -0.263 3.697 3.960 0.000 0.000 0.242 370 G HA3 -0.263 3.697 3.960 0.000 0.000 0.242 370 G C -0.491 174.178 174.900 -0.385 0.000 0.982 370 G CA 0.157 45.076 45.100 -0.302 0.000 0.662 370 G HN 0.352 nan 8.290 nan 0.000 0.527 371 Y N 0.618 120.926 120.300 0.014 0.000 2.346 371 Y HA 0.465 5.015 4.550 0.000 0.000 0.332 371 Y C 0.440 176.359 175.900 0.030 0.000 0.985 371 Y CA -1.649 56.463 58.100 0.021 0.000 1.112 371 Y CB 0.982 39.458 38.460 0.026 0.000 1.170 371 Y HN 0.197 nan 8.280 nan 0.000 0.447 372 N N 2.491 121.309 118.700 0.196 0.000 2.441 372 N HA 0.168 4.908 4.740 0.000 0.000 0.251 372 N C -1.175 174.414 175.510 0.131 0.000 1.242 372 N CA 0.341 53.469 53.050 0.131 0.000 0.898 372 N CB 0.671 39.222 38.487 0.108 0.000 1.100 372 N HN 0.579 nan 8.380 nan 0.000 0.443 373 D N 0.339 120.807 120.400 0.114 0.000 2.467 373 D HA 0.650 5.290 4.640 0.000 0.000 0.245 373 D C -0.310 176.057 176.300 0.113 0.000 1.038 373 D CA -0.690 53.381 54.000 0.117 0.000 1.038 373 D CB 1.542 42.409 40.800 0.112 0.000 1.278 373 D HN 0.432 nan 8.370 nan 0.000 0.564 374 I N -3.659 116.992 120.570 0.136 0.000 3.095 374 I HA 0.869 5.039 4.170 0.000 0.000 0.310 374 I C -1.647 174.566 176.117 0.160 0.000 1.196 374 I CA -1.429 59.948 61.300 0.127 0.000 0.985 374 I CB 2.308 40.373 38.000 0.108 0.000 1.250 374 I HN 0.437 nan 8.210 nan 0.000 0.446 375 A N 3.143 126.034 122.820 0.117 0.000 2.356 375 A HA 0.803 5.123 4.320 0.000 0.000 0.310 375 A C -1.162 176.465 177.584 0.073 0.000 1.075 375 A CA -0.614 51.492 52.037 0.114 0.000 0.746 375 A CB 1.724 20.755 19.000 0.051 0.000 1.221 375 A HN 0.540 nan 8.150 nan 0.000 0.443 376 V N 1.799 121.786 119.914 0.122 0.000 2.495 376 V HA 0.698 4.818 4.120 0.000 0.000 0.298 376 V C 0.565 176.619 176.094 -0.065 0.000 1.031 376 V CA -0.330 61.943 62.300 -0.046 0.000 0.871 376 V CB 1.539 33.273 31.823 -0.148 0.000 0.988 376 V HN 1.231 nan 8.190 nan 0.000 0.432 377 A N 3.653 126.366 122.820 -0.179 0.000 2.304 377 A HA 0.888 5.208 4.320 0.000 0.000 0.301 377 A C 0.231 177.751 177.584 -0.107 0.000 1.132 377 A CA -0.065 51.892 52.037 -0.133 0.000 0.819 377 A CB 1.186 20.077 19.000 -0.182 0.000 1.094 377 A HN 1.557 nan 8.150 nan 0.000 0.492 378 A N 3.422 126.270 122.820 0.048 0.000 3.127 378 A HA 0.634 4.954 4.320 0.000 0.000 0.319 378 A C -2.144 175.523 177.584 0.138 0.000 1.104 378 A CA -1.023 51.112 52.037 0.164 0.000 0.802 378 A CB 0.434 19.644 19.000 0.350 0.000 1.193 378 A HN 0.445 nan 8.150 nan 0.000 0.479 379 P HA -0.181 nan 4.420 nan 0.000 0.219 379 P C 0.057 177.105 177.300 -0.421 0.000 1.145 379 P CA 1.834 64.837 63.100 -0.162 0.000 0.813 379 P CB -0.087 31.526 31.700 -0.145 0.000 0.771 380 Y N -2.519 117.888 120.300 0.179 0.000 2.715 380 Y HA 0.431 4.981 4.550 0.000 0.000 0.255 380 Y C 1.438 177.442 175.900 0.174 0.000 1.139 380 Y CA -0.716 57.487 58.100 0.172 0.000 1.151 380 Y CB 0.163 38.724 38.460 0.167 0.000 1.201 380 Y HN -0.189 nan 8.280 nan 0.000 0.556 381 G N -0.230 108.715 108.800 0.243 0.000 2.522 381 G HA2 0.565 4.525 3.960 0.000 0.000 0.304 381 G HA3 0.565 4.525 3.960 0.000 0.000 0.304 381 G C 0.190 175.186 174.900 0.159 0.000 1.210 381 G CA -0.000 45.226 45.100 0.210 0.000 0.960 381 G HN 0.543 nan 8.290 nan 0.000 0.497 382 G N -0.648 108.226 108.800 0.124 0.000 2.662 382 G HA2 -0.007 3.953 3.960 0.000 0.000 0.686 382 G HA3 -0.007 3.953 3.960 0.000 0.000 0.686 382 G C -1.779 173.164 174.900 0.072 0.000 1.271 382 G CA -0.077 45.075 45.100 0.086 0.000 0.816 382 G HN 0.541 nan 8.290 nan 0.000 0.608 383 P HA -0.091 nan 4.420 nan 0.000 0.216 383 P C 2.181 179.511 177.300 0.050 0.000 1.150 383 P CA 2.574 65.698 63.100 0.040 0.000 0.837 383 P CB 0.000 31.716 31.700 0.026 0.000 0.786 384 S N -2.029 113.702 115.700 0.052 0.000 2.414 384 S HA 0.135 4.605 4.470 0.000 0.000 0.227 384 S C 1.775 176.428 174.600 0.088 0.000 1.022 384 S CA 0.781 59.015 58.200 0.057 0.000 0.958 384 S CB -1.375 61.849 63.200 0.041 0.000 0.797 384 S HN 0.292 nan 8.310 nan 0.000 0.493 385 G N 1.653 110.518 108.800 0.107 0.000 2.132 385 G HA2 -0.249 3.711 3.960 0.000 0.000 0.234 385 G HA3 -0.249 3.711 3.960 0.000 0.000 0.234 385 G C 0.662 175.658 174.900 0.159 0.000 0.989 385 G CA 0.200 45.398 45.100 0.162 0.000 0.676 385 G HN 0.523 nan 8.290 nan 0.000 0.522 386 R N 0.355 120.916 120.500 0.102 0.000 2.310 386 R HA 0.418 4.758 4.340 0.000 0.000 0.202 386 R C 1.396 177.745 176.300 0.082 0.000 0.933 386 R CA 0.684 56.827 56.100 0.071 0.000 1.054 386 R CB 0.149 30.467 30.300 0.029 0.000 0.985 386 R HN 1.544 nan 8.270 nan 0.000 0.489 387 G N 1.751 110.627 108.800 0.126 0.000 2.663 387 G HA2 -0.182 3.778 3.960 0.000 0.000 0.686 387 G HA3 -0.182 3.778 3.960 0.000 0.000 0.686 387 G C -1.198 173.912 174.900 0.350 0.000 1.246 387 G CA -0.648 44.590 45.100 0.230 0.000 0.795 387 G HN 0.276 nan 8.290 nan 0.000 0.627 388 Q N -1.614 118.428 119.800 0.404 0.000 2.468 388 Q HA 0.604 4.944 4.340 0.000 0.000 0.263 388 Q C -1.359 174.816 176.000 0.293 0.000 0.979 388 Q CA -1.237 54.808 55.803 0.402 0.000 0.932 388 Q CB 1.717 30.585 28.738 0.216 0.000 1.462 388 Q HN 1.128 nan 8.270 nan 0.000 0.403 389 V N 2.744 122.819 119.914 0.268 0.000 2.427 389 V HA 0.483 4.603 4.120 0.000 0.000 0.286 389 V C -0.563 175.589 176.094 0.098 0.000 1.034 389 V CA -0.654 61.705 62.300 0.098 0.000 0.893 389 V CB 1.199 33.002 31.823 -0.034 0.000 0.982 389 V HN 0.650 nan 8.190 nan 0.000 0.452 390 L N 5.164 126.477 121.223 0.150 0.000 2.329 390 L HA 0.592 4.932 4.340 0.000 0.000 0.279 390 L C -0.193 176.703 176.870 0.042 0.000 1.014 390 L CA -0.169 54.721 54.840 0.083 0.000 0.814 390 L CB 1.969 44.171 42.059 0.238 0.000 1.257 390 L HN 0.400 nan 8.230 nan 0.000 0.424 391 V N 3.186 123.006 119.914 -0.157 0.000 2.427 391 V HA 0.473 4.593 4.120 0.000 0.000 0.286 391 V C -0.599 175.323 176.094 -0.286 0.000 1.034 391 V CA -0.475 61.773 62.300 -0.087 0.000 0.893 391 V CB 1.104 32.889 31.823 -0.063 0.000 0.982 391 V HN 0.387 nan 8.190 nan 0.000 0.452 392 F N 4.259 124.236 119.950 0.046 0.000 2.507 392 F HA 0.624 5.151 4.527 0.000 0.000 0.325 392 F C 0.031 175.852 175.800 0.035 0.000 1.116 392 F CA -0.617 57.408 58.000 0.040 0.000 0.930 392 F CB 1.633 40.663 39.000 0.050 0.000 1.146 392 F HN 0.223 nan 8.300 nan 0.000 0.447 393 L N 2.326 123.644 121.223 0.158 0.000 2.357 393 L HA 0.575 4.915 4.340 0.000 0.000 0.273 393 L C 0.805 177.732 176.870 0.094 0.000 1.080 393 L CA -0.896 54.011 54.840 0.112 0.000 0.803 393 L CB 0.929 43.032 42.059 0.074 0.000 1.174 393 L HN 0.774 nan 8.230 nan 0.000 0.443 394 G N 1.416 110.272 108.800 0.093 0.000 2.354 394 G HA2 0.199 4.159 3.960 0.000 0.000 0.266 394 G HA3 0.199 4.159 3.960 0.000 0.000 0.266 394 G C -0.405 174.411 174.900 -0.141 0.000 1.242 394 G CA -0.186 44.934 45.100 0.033 0.000 0.923 394 G HN 0.607 nan 8.290 nan 0.000 0.476 395 Q N 1.253 120.885 119.800 -0.280 0.000 2.915 395 Q HA 0.364 4.704 4.340 0.000 0.000 0.186 395 Q C 1.186 176.680 176.000 -0.845 0.000 1.106 395 Q CA -0.265 55.279 55.803 -0.433 0.000 0.700 395 Q CB 1.012 29.632 28.738 -0.197 0.000 4.029 395 Q HN 0.482 nan 8.270 nan 0.000 0.362 396 S N -1.399 113.994 115.700 -0.512 0.000 2.575 396 S HA 0.134 4.604 4.470 0.000 0.000 0.230 396 S C 0.638 175.136 174.600 -0.169 0.000 1.062 396 S CA 0.019 57.988 58.200 -0.385 0.000 0.913 396 S CB 0.283 63.376 63.200 -0.179 0.000 0.837 396 S HN 0.495 nan 8.310 nan 0.000 0.487 397 E N 0.251 120.369 120.200 -0.137 0.000 2.481 397 E HA 0.336 4.686 4.350 0.000 0.000 0.198 397 E C 0.985 177.542 176.600 -0.072 0.000 1.027 397 E CA 0.330 56.684 56.400 -0.077 0.000 0.900 397 E CB 0.958 30.623 29.700 -0.059 0.000 0.993 397 E HN 0.555 nan 8.360 nan 0.000 0.482 398 G N 0.517 109.258 108.800 -0.097 0.000 1.775 398 G HA2 -0.006 3.954 3.960 0.000 0.000 0.059 398 G HA3 -0.006 3.954 3.960 0.000 0.000 0.059 398 G C -1.142 173.718 174.900 -0.067 0.000 1.152 398 G CA -0.793 44.267 45.100 -0.067 0.000 1.107 398 G HN 0.025 nan 8.290 nan 0.000 0.323 399 L N 0.342 121.538 121.223 -0.045 0.000 2.469 399 L HA 0.684 5.024 4.340 0.000 0.000 0.256 399 L C 0.069 176.955 176.870 0.027 0.000 1.006 399 L CA -0.726 54.114 54.840 -0.000 0.000 0.832 399 L CB 2.237 44.312 42.059 0.025 0.000 1.421 399 L HN 0.460 nan 8.230 nan 0.000 0.410 400 R N 0.140 120.692 120.500 0.088 0.000 2.401 400 R HA 0.191 4.531 4.340 0.000 0.000 0.299 400 R C 0.710 177.122 176.300 0.186 0.000 1.064 400 R CA -0.087 56.071 56.100 0.098 0.000 1.000 400 R CB 0.734 31.081 30.300 0.079 0.000 0.973 400 R HN 0.643 nan 8.270 nan 0.000 0.438 401 S N 2.522 118.285 115.700 0.105 0.000 2.500 401 S HA -0.052 4.418 4.470 0.000 0.000 0.239 401 S C 0.617 175.335 174.600 0.196 0.000 0.989 401 S CA 1.071 59.338 58.200 0.111 0.000 0.951 401 S CB -0.005 63.213 63.200 0.029 0.000 0.759 401 S HN 0.389 nan 8.310 nan 0.000 0.523 402 R N 1.787 122.378 120.500 0.152 0.000 2.514 402 R HA 0.353 4.693 4.340 0.000 0.000 0.301 402 R C -3.046 173.186 176.300 -0.114 0.000 0.962 402 R CA -2.418 53.713 56.100 0.053 0.000 0.882 402 R CB 0.670 30.969 30.300 -0.002 0.000 1.143 402 R HN 0.041 nan 8.270 nan 0.000 0.452 403 P HA 0.010 nan 4.420 nan 0.000 0.276 403 P C 0.693 177.788 177.300 -0.341 0.000 1.264 403 P CA 0.045 62.706 63.100 -0.732 0.000 0.769 403 P CB 0.978 32.249 31.700 -0.715 0.000 0.840 404 S N 2.546 118.080 115.700 -0.276 0.000 2.423 404 S HA -0.127 4.343 4.470 0.000 0.000 0.231 404 S C 0.722 175.251 174.600 -0.118 0.000 1.014 404 S CA 0.628 58.745 58.200 -0.139 0.000 0.965 404 S CB -0.239 62.911 63.200 -0.082 0.000 0.785 404 S HN 0.655 nan 8.310 nan 0.000 0.495 405 Q N -0.477 119.233 119.800 -0.152 0.000 2.353 405 Q HA 0.567 4.907 4.340 0.000 0.000 0.275 405 Q C -2.330 173.602 176.000 -0.112 0.000 1.029 405 Q CA -0.679 55.062 55.803 -0.103 0.000 0.848 405 Q CB 2.432 31.128 28.738 -0.070 0.000 1.390 405 Q HN 0.160 nan 8.270 nan 0.000 0.401 406 V N 5.111 124.983 119.914 -0.070 0.000 2.340 406 V HA 0.326 4.446 4.120 0.000 0.000 0.277 406 V C -0.490 175.598 176.094 -0.010 0.000 1.017 406 V CA -0.507 61.769 62.300 -0.039 0.000 0.820 406 V CB 1.174 32.979 31.823 -0.031 0.000 1.028 406 V HN 0.723 nan 8.190 nan 0.000 0.436 407 L N 4.436 125.655 121.223 -0.007 0.000 2.369 407 L HA 0.375 4.715 4.340 0.000 0.000 0.279 407 L C 0.103 177.028 176.870 0.092 0.000 1.108 407 L CA 0.028 54.869 54.840 0.001 0.000 0.852 407 L CB 0.329 42.306 42.059 -0.137 0.000 1.169 407 L HN 0.547 nan 8.230 nan 0.000 0.452 408 D N 1.011 121.418 120.400 0.012 0.000 2.340 408 D HA 0.184 4.824 4.640 0.000 0.000 0.251 408 D C -0.099 175.960 176.300 -0.400 0.000 1.080 408 D CA -0.260 53.693 54.000 -0.077 0.000 0.971 408 D CB 1.303 42.068 40.800 -0.059 0.000 1.137 408 D HN 0.343 nan 8.370 nan 0.000 0.475 409 S N 0.796 116.129 115.700 -0.612 0.000 2.481 409 S HA 0.179 4.649 4.470 0.000 0.000 0.276 409 S C -1.644 172.618 174.600 -0.564 0.000 1.247 409 S CA -1.240 56.331 58.200 -1.049 0.000 1.053 409 S CB 0.567 63.359 63.200 -0.680 0.000 0.925 409 S HN 0.295 nan 8.310 nan 0.000 0.491 410 P HA 0.177 nan 4.420 nan 0.000 0.249 410 P C -0.448 176.491 177.300 -0.602 0.000 1.229 410 P CA 0.068 62.852 63.100 -0.527 0.000 0.788 410 P CB -0.014 31.411 31.700 -0.457 0.000 1.072 411 F N 0.850 120.696 119.950 -0.174 0.000 2.457 411 F HA 0.512 5.039 4.527 0.000 0.000 0.330 411 F C -1.610 174.143 175.800 -0.078 0.000 1.069 411 F CA -2.766 55.163 58.000 -0.119 0.000 1.009 411 F CB -0.771 38.160 39.000 -0.115 0.000 1.276 411 F HN -0.275 nan 8.300 nan 0.000 0.492 412 P HA 0.184 nan 4.420 nan 0.000 0.302 412 P C -0.601 176.746 177.300 0.078 0.000 1.301 412 P CA -0.334 62.818 63.100 0.087 0.000 0.745 412 P CB 0.177 31.921 31.700 0.073 0.000 1.331 413 T N -0.653 113.941 114.554 0.066 0.000 2.860 413 T HA 0.365 4.715 4.350 0.000 0.000 0.299 413 T C 1.211 175.953 174.700 0.071 0.000 1.045 413 T CA 0.862 63.009 62.100 0.077 0.000 1.071 413 T CB -0.294 68.624 68.868 0.083 0.000 0.985 413 T HN 0.814 nan 8.240 nan 0.000 0.537 414 G N 1.185 110.045 108.800 0.101 0.000 2.175 414 G HA2 -0.347 3.613 3.960 0.000 0.000 0.265 414 G HA3 -0.347 3.613 3.960 0.000 0.000 0.265 414 G C 1.182 176.056 174.900 -0.044 0.000 0.979 414 G CA 0.930 46.090 45.100 0.100 0.000 0.663 414 G HN 1.013 nan 8.290 nan 0.000 0.533 415 S N -0.583 115.074 115.700 -0.072 0.000 2.442 415 S HA 0.309 4.779 4.470 0.000 0.000 0.236 415 S C 2.088 176.488 174.600 -0.333 0.000 1.007 415 S CA 1.583 59.688 58.200 -0.159 0.000 0.965 415 S CB -0.294 62.904 63.200 -0.004 0.000 0.773 415 S HN 2.386 nan 8.310 nan 0.000 0.504 416 A N 0.015 122.610 122.820 -0.376 0.000 2.860 416 A HA -0.212 4.108 4.320 0.000 0.000 0.267 416 A C 0.197 177.618 177.584 -0.272 0.000 1.421 416 A CA 0.632 52.346 52.037 -0.538 0.000 0.831 416 A CB -2.950 15.532 19.000 -0.862 0.000 1.041 416 A HN 1.064 nan 8.150 nan 0.000 0.623 417 F N 0.462 120.274 119.950 -0.229 0.000 2.549 417 F HA 0.342 4.869 4.527 0.000 0.000 0.400 417 F C 1.429 177.219 175.800 -0.016 0.000 1.011 417 F CA 1.653 59.632 58.000 -0.035 0.000 1.148 417 F CB -0.202 38.862 39.000 0.106 0.000 0.993 417 F HN 1.518 nan 8.300 nan 0.000 0.540 418 G N 5.196 113.647 108.800 -0.580 0.000 2.238 418 G HA2 -0.371 3.589 3.960 0.000 0.000 0.217 418 G HA3 -0.371 3.589 3.960 0.000 0.000 0.217 418 G C 0.883 175.667 174.900 -0.193 0.000 0.996 418 G CA 0.100 44.911 45.100 -0.483 0.000 0.632 418 G HN 0.736 nan 8.290 nan 0.000 0.503 419 F N 3.038 122.855 119.950 -0.222 0.000 2.176 419 F HA 0.029 4.556 4.527 0.000 0.000 0.301 419 F C 1.605 177.312 175.800 -0.156 0.000 1.071 419 F CA 2.435 60.359 58.000 -0.127 0.000 1.289 419 F CB 0.063 39.049 39.000 -0.022 0.000 1.028 419 F HN 0.561 nan 8.300 nan 0.000 0.494 420 S N -0.306 115.357 115.700 -0.061 0.000 2.548 420 S HA 0.752 5.222 4.470 0.000 0.000 0.286 420 S C -1.066 173.455 174.600 -0.132 0.000 1.098 420 S CA -0.881 57.237 58.200 -0.136 0.000 0.930 420 S CB 2.516 65.669 63.200 -0.079 0.000 1.070 420 S HN 0.115 nan 8.310 nan 0.000 0.480 421 L N 1.100 122.246 121.223 -0.129 0.000 2.506 421 L HA 0.771 5.111 4.340 0.000 0.000 0.257 421 L C -0.868 175.960 176.870 -0.071 0.000 0.964 421 L CA -0.782 54.001 54.840 -0.094 0.000 0.836 421 L CB 2.554 44.559 42.059 -0.091 0.000 1.384 421 L HN 0.738 nan 8.230 nan 0.000 0.410 422 R N 0.541 121.016 120.500 -0.041 0.000 2.535 422 R HA 0.798 5.138 4.340 0.000 0.000 0.274 422 R C -0.939 175.508 176.300 0.245 0.000 1.090 422 R CA -0.158 55.945 56.100 0.006 0.000 0.930 422 R CB 2.144 32.319 30.300 -0.209 0.000 1.223 422 R HN 0.795 nan 8.270 nan 0.000 0.441 423 G N 0.605 109.612 108.800 0.345 0.000 3.021 423 G HA2 0.584 4.544 3.960 0.000 0.000 0.290 423 G HA3 0.584 4.544 3.960 0.000 0.000 0.290 423 G C -0.587 174.446 174.900 0.221 0.000 1.291 423 G CA -0.119 45.196 45.100 0.358 0.000 0.834 423 G HN 1.297 nan 8.290 nan 0.000 0.564 424 A N -2.361 120.494 122.820 0.058 0.000 2.945 424 A HA 0.040 4.360 4.320 0.000 0.000 0.251 424 A C 0.040 177.534 177.584 -0.150 0.000 1.355 424 A CA 0.953 52.980 52.037 -0.016 0.000 0.905 424 A CB -2.049 16.974 19.000 0.038 0.000 1.104 424 A HN 1.764 nan 8.150 nan 0.000 0.733 425 V N 0.210 119.900 119.914 -0.373 0.000 2.686 425 V HA 0.510 4.630 4.120 0.000 0.000 0.306 425 V C -0.381 175.404 176.094 -0.514 0.000 1.065 425 V CA -0.340 61.614 62.300 -0.577 0.000 0.894 425 V CB 1.997 33.142 31.823 -1.130 0.000 1.004 425 V HN 0.448 nan 8.190 nan 0.000 0.424 426 D N 3.264 123.467 120.400 -0.330 0.000 2.435 426 D HA 0.229 4.869 4.640 0.000 0.000 0.230 426 D C 0.765 176.901 176.300 -0.274 0.000 1.215 426 D CA 0.156 54.016 54.000 -0.234 0.000 0.947 426 D CB 0.844 41.559 40.800 -0.141 0.000 1.048 426 D HN 0.565 nan 8.370 nan 0.000 0.512 427 I N 2.390 122.742 120.570 -0.363 0.000 2.277 427 I HA -0.167 4.003 4.170 0.000 0.000 0.243 427 I C 1.221 177.057 176.117 -0.469 0.000 1.094 427 I CA 0.877 61.913 61.300 -0.440 0.000 1.393 427 I CB 0.282 37.935 38.000 -0.578 0.000 1.078 427 I HN 0.263 nan 8.210 nan 0.000 0.417 428 D N -0.589 119.562 120.400 -0.415 0.000 2.363 428 D HA -0.176 4.464 4.640 0.000 0.000 0.220 428 D C 0.676 177.002 176.300 0.043 0.000 0.994 428 D CA 0.578 54.521 54.000 -0.095 0.000 0.890 428 D CB -0.529 40.294 40.800 0.039 0.000 0.906 428 D HN 0.358 nan 8.370 nan 0.000 0.530 429 D N 0.404 120.790 120.400 -0.024 0.000 2.716 429 D HA -0.184 4.456 4.640 0.000 0.000 0.239 429 D C -0.530 175.795 176.300 0.042 0.000 1.125 429 D CA 0.855 54.859 54.000 0.007 0.000 0.681 429 D CB -1.774 39.045 40.800 0.031 0.000 1.070 429 D HN 0.516 nan 8.370 nan 0.000 0.432 430 N N -0.099 118.639 118.700 0.063 0.000 2.328 430 N HA 0.347 5.087 4.740 0.000 0.000 0.247 430 N C 1.392 177.021 175.510 0.199 0.000 1.165 430 N CA 0.525 53.650 53.050 0.126 0.000 0.873 430 N CB 0.173 38.741 38.487 0.134 0.000 1.125 430 N HN 0.447 nan 8.380 nan 0.000 0.513 431 G N -0.439 108.394 108.800 0.056 0.000 2.166 431 G HA2 -0.310 3.650 3.960 0.000 0.000 0.260 431 G HA3 -0.310 3.650 3.960 0.000 0.000 0.260 431 G C -0.814 173.915 174.900 -0.285 0.000 0.986 431 G CA 0.673 45.716 45.100 -0.094 0.000 0.683 431 G HN 0.482 nan 8.290 nan 0.000 0.527 432 Y N -0.501 119.773 120.300 -0.044 0.000 2.406 432 Y HA 0.522 5.072 4.550 0.000 0.000 0.340 432 Y C -2.312 173.547 175.900 -0.068 0.000 0.975 432 Y CA -2.532 55.543 58.100 -0.041 0.000 1.056 432 Y CB 2.223 40.670 38.460 -0.020 0.000 1.210 432 Y HN -0.082 nan 8.280 nan 0.000 0.448 433 P HA 0.073 nan 4.420 nan 0.000 0.268 433 P C -0.816 176.493 177.300 0.016 0.000 1.205 433 P CA 0.263 63.352 63.100 -0.018 0.000 0.771 433 P CB 0.902 32.599 31.700 -0.005 0.000 0.858 434 D N 1.466 121.839 120.400 -0.046 0.000 2.621 434 D HA 0.552 5.192 4.640 0.000 0.000 0.255 434 D C -0.868 175.521 176.300 0.147 0.000 1.122 434 D CA -0.228 53.795 54.000 0.038 0.000 1.096 434 D CB 1.566 42.352 40.800 -0.024 0.000 1.282 434 D HN 0.121 nan 8.370 nan 0.000 0.619 435 L N 0.989 122.360 121.223 0.247 0.000 2.438 435 L HA 0.424 4.764 4.340 0.000 0.000 0.270 435 L C -1.112 175.978 176.870 0.367 0.000 0.972 435 L CA -0.611 54.410 54.840 0.302 0.000 0.831 435 L CB 1.475 43.653 42.059 0.198 0.000 1.273 435 L HN 0.365 nan 8.230 nan 0.000 0.405 436 I N 3.057 123.800 120.570 0.288 0.000 2.392 436 I HA 0.793 4.963 4.170 0.000 0.000 0.295 436 I C -1.106 175.092 176.117 0.136 0.000 0.985 436 I CA -0.897 60.519 61.300 0.192 0.000 1.221 436 I CB 1.861 39.837 38.000 -0.040 0.000 1.366 436 I HN 0.317 nan 8.210 nan 0.000 0.467 437 V N 4.931 124.972 119.914 0.212 0.000 2.483 437 V HA 0.615 4.735 4.120 0.000 0.000 0.297 437 V C 0.621 176.773 176.094 0.097 0.000 1.027 437 V CA -0.416 61.943 62.300 0.099 0.000 0.855 437 V CB 1.484 33.381 31.823 0.124 0.000 0.995 437 V HN 0.997 nan 8.190 nan 0.000 0.424 438 G N 2.964 111.757 108.800 -0.011 0.000 2.377 438 G HA2 0.615 4.575 3.960 0.000 0.000 0.299 438 G HA3 0.615 4.575 3.960 0.000 0.000 0.299 438 G C -0.127 174.760 174.900 -0.023 0.000 1.150 438 G CA -0.042 45.060 45.100 0.003 0.000 0.847 438 G HN 1.184 nan 8.290 nan 0.000 0.501 439 A N 2.201 124.981 122.820 -0.066 0.000 3.216 439 A HA 0.451 4.771 4.320 0.000 0.000 0.321 439 A C 0.516 177.956 177.584 -0.240 0.000 1.042 439 A CA -0.591 51.323 52.037 -0.203 0.000 0.838 439 A CB -0.115 18.665 19.000 -0.367 0.000 1.136 439 A HN 1.067 nan 8.150 nan 0.000 0.483 440 Y N -0.288 119.971 120.300 -0.068 0.000 2.241 440 Y HA -0.080 4.470 4.550 0.000 0.000 0.286 440 Y C 1.659 177.543 175.900 -0.027 0.000 1.166 440 Y CA 1.745 59.842 58.100 -0.006 0.000 1.203 440 Y CB -0.838 37.670 38.460 0.080 0.000 0.977 440 Y HN 0.348 nan 8.280 nan 0.000 0.529 441 G N 0.040 108.523 108.800 -0.530 0.000 2.471 441 G HA2 -0.023 3.937 3.960 0.000 0.000 0.219 441 G HA3 -0.023 3.937 3.960 0.000 0.000 0.219 441 G C 1.510 176.325 174.900 -0.143 0.000 1.125 441 G CA 0.684 45.621 45.100 -0.271 0.000 0.775 441 G HN 0.712 nan 8.290 nan 0.000 0.548 442 A N -0.366 122.315 122.820 -0.231 0.000 2.343 442 A HA 0.386 4.706 4.320 0.000 0.000 0.223 442 A C 1.022 178.490 177.584 -0.194 0.000 1.214 442 A CA 0.656 52.542 52.037 -0.250 0.000 0.900 442 A CB -0.085 18.603 19.000 -0.520 0.000 0.942 442 A HN 0.324 nan 8.150 nan 0.000 0.507 443 N N -1.199 117.450 118.700 -0.085 0.000 2.782 443 N HA -0.175 4.565 4.740 0.000 0.000 0.251 443 N C -0.201 175.359 175.510 0.083 0.000 1.101 443 N CA 1.222 54.305 53.050 0.055 0.000 0.764 443 N CB -1.107 37.375 38.487 -0.007 0.000 1.122 443 N HN 0.743 nan 8.380 nan 0.000 0.561 444 Q N -0.405 119.358 119.800 -0.061 0.000 2.416 444 Q HA 0.778 5.118 4.340 0.000 0.000 0.279 444 Q C -0.988 175.072 176.000 0.100 0.000 1.101 444 Q CA -0.952 54.851 55.803 0.001 0.000 0.830 444 Q CB 2.916 31.473 28.738 -0.301 0.000 1.402 444 Q HN -0.015 nan 8.270 nan 0.000 0.445 445 V N 0.922 121.022 119.914 0.310 0.000 2.525 445 V HA 0.638 4.758 4.120 0.000 0.000 0.299 445 V C -0.909 175.450 176.094 0.441 0.000 1.034 445 V CA -0.707 61.775 62.300 0.303 0.000 0.863 445 V CB 1.521 33.495 31.823 0.251 0.000 0.999 445 V HN 0.839 nan 8.190 nan 0.000 0.423 446 A N 4.767 127.869 122.820 0.469 0.000 2.306 446 A HA 0.847 5.167 4.320 0.000 0.000 0.314 446 A C -0.576 177.235 177.584 0.380 0.000 1.164 446 A CA -0.466 51.888 52.037 0.528 0.000 0.822 446 A CB 1.206 20.550 19.000 0.573 0.000 1.130 446 A HN 0.729 nan 8.150 nan 0.000 0.496 447 V N 2.710 122.795 119.914 0.285 0.000 2.409 447 V HA 0.341 4.461 4.120 0.000 0.000 0.291 447 V C -1.271 174.828 176.094 0.008 0.000 1.020 447 V CA -0.332 62.115 62.300 0.246 0.000 0.848 447 V CB 0.703 32.775 31.823 0.414 0.000 0.990 447 V HN 0.753 nan 8.190 nan 0.000 0.430 448 Y N 3.670 124.104 120.300 0.224 0.000 2.331 448 Y HA 0.607 5.157 4.550 0.000 0.000 0.338 448 Y C 0.617 176.579 175.900 0.104 0.000 0.976 448 Y CA -0.547 57.652 58.100 0.165 0.000 1.137 448 Y CB 1.467 40.025 38.460 0.164 0.000 1.172 448 Y HN 0.480 nan 8.280 nan 0.000 0.478 449 R N 1.697 122.317 120.500 0.201 0.000 2.486 449 R HA 0.752 5.092 4.340 0.000 0.000 0.286 449 R C -0.536 175.820 176.300 0.094 0.000 0.999 449 R CA -0.831 55.336 56.100 0.112 0.000 0.993 449 R CB 1.187 31.540 30.300 0.088 0.000 1.084 449 R HN 0.775 nan 8.270 nan 0.000 0.487 450 A N 2.668 125.522 122.820 0.057 0.000 2.328 450 A HA 0.253 4.573 4.320 0.000 0.000 0.284 450 A C -0.575 176.964 177.584 -0.075 0.000 1.160 450 A CA -0.288 51.758 52.037 0.016 0.000 0.818 450 A CB 0.683 19.737 19.000 0.088 0.000 1.087 450 A HN 0.653 nan 8.150 nan 0.000 0.504 451 Q N 1.846 121.550 119.800 -0.160 0.000 2.337 451 Q HA 0.473 4.813 4.340 0.000 0.000 0.270 451 Q C -2.212 173.569 176.000 -0.365 0.000 1.043 451 Q CA -1.594 54.092 55.803 -0.196 0.000 0.794 451 Q CB 1.649 30.335 28.738 -0.087 0.000 1.281 451 Q HN 0.699 nan 8.270 nan 0.000 0.446 452 P HA 0.000 nan 4.420 nan 0.000 0.216 452 P CA 0.000 62.808 63.100 -0.487 0.000 0.800 452 P CB 0.000 31.586 31.700 -0.189 0.000 0.726