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_C 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 0.000 176.859 176.870 -0.018 0.000 1.165 1 L CA 0.000 54.844 54.840 0.006 0.000 0.813 1 L CB 0.000 42.058 42.059 -0.001 0.000 0.961 2 N N -1.092 117.579 118.700 -0.048 0.000 2.710 2 N HA 0.615 5.355 4.740 -0.000 0.000 0.257 2 N C -1.602 173.870 175.510 -0.064 0.000 1.327 2 N CA -0.853 52.165 53.050 -0.054 0.000 0.861 2 N CB 1.526 39.979 38.487 -0.058 0.000 1.532 2 N HN -0.052 nan 8.380 nan 0.000 0.499 3 L N 0.189 121.378 121.223 -0.056 0.000 2.334 3 L HA 0.430 4.770 4.340 -0.000 0.000 0.270 3 L C -0.233 176.609 176.870 -0.046 0.000 1.018 3 L CA -0.659 54.160 54.840 -0.035 0.000 0.811 3 L CB 1.122 43.176 42.059 -0.009 0.000 1.271 3 L HN 0.662 nan 8.230 nan 0.000 0.443 4 D N 2.872 123.276 120.400 0.007 0.000 2.352 4 D HA 0.151 4.791 4.640 -0.000 0.000 0.245 4 D C -1.749 174.574 176.300 0.040 0.000 1.224 4 D CA -1.434 52.577 54.000 0.018 0.000 0.879 4 D CB 1.365 42.193 40.800 0.047 0.000 1.057 4 D HN 0.288 nan 8.370 nan 0.000 0.491 5 P HA -0.011 nan 4.420 nan 0.000 0.249 5 P C 0.873 178.204 177.300 0.051 0.000 1.229 5 P CA 0.143 63.216 63.100 -0.046 0.000 0.788 5 P CB 0.746 32.382 31.700 -0.108 0.000 1.072 6 V N -1.270 118.669 119.914 0.043 0.000 2.806 6 V HA 0.106 4.226 4.120 -0.000 0.000 0.239 6 V C 1.184 177.288 176.094 0.016 0.000 1.113 6 V CA 0.686 63.000 62.300 0.023 0.000 1.137 6 V CB -0.849 30.974 31.823 0.000 0.000 0.865 6 V HN -0.039 nan 8.190 nan 0.000 0.482 7 Q N 3.010 122.829 119.800 0.032 0.000 2.678 7 Q HA 0.415 4.755 4.340 -0.000 0.000 0.222 7 Q C -0.584 175.453 176.000 0.062 0.000 1.281 7 Q CA 0.246 56.062 55.803 0.022 0.000 0.994 7 Q CB 0.524 29.284 28.738 0.036 0.000 1.452 7 Q HN 0.699 nan 8.270 nan 0.000 0.570 8 L N -1.207 120.005 121.223 -0.019 0.000 2.354 8 L HA 0.746 5.086 4.340 -0.000 0.000 0.269 8 L C -0.461 176.262 176.870 -0.244 0.000 1.005 8 L CA -0.845 53.978 54.840 -0.028 0.000 0.819 8 L CB 2.100 44.189 42.059 0.051 0.000 1.311 8 L HN -0.060 nan 8.230 nan 0.000 0.423 9 T N 2.036 116.545 114.554 -0.074 0.000 2.795 9 T HA 0.610 4.960 4.350 -0.000 0.000 0.282 9 T C -0.709 174.021 174.700 0.049 0.000 0.980 9 T CA -0.071 61.981 62.100 -0.079 0.000 1.012 9 T CB 0.892 69.877 68.868 0.195 0.000 0.936 9 T HN 0.287 nan 8.240 nan 0.000 0.457 10 F N 2.459 122.376 119.950 -0.055 0.000 2.427 10 F HA 0.507 5.034 4.527 -0.000 0.000 0.346 10 F C -0.293 175.432 175.800 -0.125 0.000 1.120 10 F CA -1.978 56.034 58.000 0.021 0.000 1.033 10 F CB 0.676 39.706 39.000 0.051 0.000 1.126 10 F HN 0.495 nan 8.300 nan 0.000 0.462 11 Y N 1.318 121.828 120.300 0.351 0.000 2.409 11 Y HA 0.718 5.268 4.550 -0.000 0.000 0.339 11 Y C 0.024 175.945 175.900 0.035 0.000 1.033 11 Y CA -0.939 57.288 58.100 0.211 0.000 1.094 11 Y CB 1.977 40.626 38.460 0.317 0.000 1.210 11 Y HN 0.670 nan 8.280 nan 0.000 0.456 12 A N 1.465 124.194 122.820 -0.152 0.000 2.475 12 A HA 0.865 5.185 4.320 -0.000 0.000 0.301 12 A C -0.499 176.302 177.584 -1.305 0.000 1.059 12 A CA -0.227 51.431 52.037 -0.633 0.000 0.710 12 A CB 1.232 20.057 19.000 -0.291 0.000 1.288 12 A HN 0.864 nan 8.150 nan 0.000 0.408 13 G N 0.450 108.191 108.800 -1.765 0.000 2.644 13 G HA2 0.787 4.747 3.960 -0.000 0.000 0.307 13 G HA3 0.787 4.747 3.960 -0.000 0.000 0.307 13 G C -2.833 171.749 174.900 -0.529 0.000 1.250 13 G CA -1.817 42.431 45.100 -1.420 0.000 0.996 13 G HN 0.572 nan 8.290 nan 0.000 0.489 14 P HA -0.046 nan 4.420 nan 0.000 0.267 14 P C -0.312 176.963 177.300 -0.043 0.000 1.201 14 P CA -0.182 62.870 63.100 -0.080 0.000 0.775 14 P CB 0.645 32.368 31.700 0.039 0.000 0.854 15 N N 0.744 119.429 118.700 -0.025 0.000 2.468 15 N HA 0.105 4.845 4.740 -0.000 0.000 0.265 15 N C 1.307 176.831 175.510 0.023 0.000 1.199 15 N CA 1.184 54.230 53.050 -0.007 0.000 0.928 15 N CB -0.085 38.397 38.487 -0.007 0.000 1.059 15 N HN 0.738 nan 8.380 nan 0.000 0.467 16 G N 1.724 110.546 108.800 0.036 0.000 2.176 16 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.253 16 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.253 16 G C 0.874 175.820 174.900 0.076 0.000 0.979 16 G CA 0.584 45.715 45.100 0.052 0.000 0.641 16 G HN 0.721 nan 8.290 nan 0.000 0.530 17 S N -0.253 115.507 115.700 0.099 0.000 2.522 17 S HA 0.157 4.627 4.470 -0.000 0.000 0.227 17 S C 1.310 176.008 174.600 0.163 0.000 0.986 17 S CA 1.420 59.704 58.200 0.141 0.000 0.929 17 S CB -0.188 63.129 63.200 0.196 0.000 0.769 17 S HN 1.099 nan 8.310 nan 0.000 0.529 18 Q N -0.608 119.302 119.800 0.184 0.000 2.494 18 Q HA -0.199 4.141 4.340 -0.000 0.000 0.266 18 Q C -0.450 175.719 176.000 0.282 0.000 1.053 18 Q CA 0.527 56.482 55.803 0.252 0.000 1.029 18 Q CB -2.360 26.480 28.738 0.170 0.000 1.423 18 Q HN 0.754 nan 8.270 nan 0.000 0.516 19 F N 0.775 120.774 119.950 0.082 0.000 2.593 19 F HA 0.205 4.732 4.527 -0.000 0.000 0.393 19 F C 1.429 177.266 175.800 0.061 0.000 1.037 19 F CA 2.164 60.186 58.000 0.036 0.000 1.195 19 F CB 0.342 39.281 39.000 -0.103 0.000 1.034 19 F HN 0.275 nan 8.300 nan 0.000 0.552 20 G N 4.930 113.572 108.800 -0.262 0.000 2.184 20 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.206 20 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.206 20 G C 0.679 175.616 174.900 0.062 0.000 0.995 20 G CA 0.085 45.104 45.100 -0.136 0.000 0.651 20 G HN 0.755 nan 8.290 nan 0.000 0.511 21 F N 2.671 122.615 119.950 -0.010 0.000 2.202 21 F HA 0.219 4.746 4.527 -0.000 0.000 0.301 21 F C 1.465 177.296 175.800 0.051 0.000 1.082 21 F CA 2.199 60.215 58.000 0.026 0.000 1.313 21 F CB 0.192 39.114 39.000 -0.128 0.000 1.024 21 F HN 0.579 nan 8.300 nan 0.000 0.495 22 S N -0.360 115.420 115.700 0.135 0.000 2.579 22 S HA 0.735 5.205 4.470 -0.000 0.000 0.272 22 S C -1.263 173.285 174.600 -0.087 0.000 1.141 22 S CA -0.540 57.669 58.200 0.015 0.000 0.843 22 S CB 2.443 65.680 63.200 0.061 0.000 1.122 22 S HN 0.295 nan 8.310 nan 0.000 0.468 23 L N -1.692 119.458 121.223 -0.122 0.000 2.869 23 L HA 1.012 5.352 4.340 -0.000 0.000 0.265 23 L C -1.544 175.213 176.870 -0.189 0.000 1.011 23 L CA -0.522 54.213 54.840 -0.176 0.000 0.913 23 L CB 0.792 42.716 42.059 -0.225 0.000 1.490 23 L HN 0.859 nan 8.230 nan 0.000 0.410 24 D N -0.750 119.512 120.400 -0.230 0.000 2.694 24 D HA 0.585 5.225 4.640 -0.000 0.000 0.260 24 D C -1.790 174.367 176.300 -0.239 0.000 1.250 24 D CA -0.250 53.622 54.000 -0.213 0.000 0.763 24 D CB 1.422 42.193 40.800 -0.048 0.000 1.311 24 D HN 0.403 nan 8.370 nan 0.000 0.420 25 F N 1.512 121.486 119.950 0.041 0.000 2.410 25 F HA 0.358 4.885 4.527 -0.000 0.000 0.348 25 F C 0.549 176.422 175.800 0.122 0.000 1.106 25 F CA -0.176 57.858 58.000 0.056 0.000 1.163 25 F CB 0.896 39.912 39.000 0.026 0.000 1.129 25 F HN 0.220 nan 8.300 nan 0.000 0.516 26 H N 3.235 122.419 119.070 0.189 0.000 2.469 26 H HA 0.400 4.956 4.556 -0.000 0.000 0.342 26 H C -1.097 174.287 175.328 0.094 0.000 1.115 26 H CA -1.192 54.922 56.048 0.111 0.000 1.204 26 H CB 1.370 31.180 29.762 0.080 0.000 1.492 26 H HN 0.576 nan 8.280 nan 0.000 0.499 27 K N 4.541 124.780 120.400 -0.269 0.000 2.521 27 K HA 0.198 4.518 4.320 -0.000 0.000 0.248 27 K C -0.762 175.563 176.600 -0.459 0.000 0.978 27 K CA -0.877 55.240 56.287 -0.284 0.000 0.947 27 K CB 0.419 32.840 32.500 -0.131 0.000 1.165 27 K HN 0.820 nan 8.250 nan 0.000 0.445 28 D N 1.840 121.954 120.400 -0.477 0.000 2.312 28 D HA -0.107 4.533 4.640 -0.000 0.000 0.244 28 D C 1.154 177.321 176.300 -0.222 0.000 1.328 28 D CA 0.134 53.927 54.000 -0.345 0.000 0.965 28 D CB 0.483 41.164 40.800 -0.198 0.000 1.140 28 D HN 0.365 nan 8.370 nan 0.000 0.523 29 S N -0.899 114.662 115.700 -0.231 0.000 2.359 29 S HA -0.296 4.174 4.470 -0.000 0.000 0.224 29 S C 1.683 176.178 174.600 -0.175 0.000 1.035 29 S CA 1.421 59.480 58.200 -0.235 0.000 1.018 29 S CB -1.278 61.736 63.200 -0.309 0.000 0.876 29 S HN 0.630 nan 8.310 nan 0.000 0.448 30 H N 1.628 120.660 119.070 -0.063 0.000 2.568 30 H HA 0.252 4.808 4.556 -0.000 0.000 0.281 30 H C 1.836 177.134 175.328 -0.049 0.000 1.028 30 H CA 0.251 56.271 56.048 -0.045 0.000 1.199 30 H CB -0.489 29.256 29.762 -0.028 0.000 1.352 30 H HN 0.677 nan 8.280 nan 0.000 0.605 31 G N 0.852 109.663 108.800 0.017 0.000 2.205 31 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.261 31 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.261 31 G C 0.551 175.445 174.900 -0.009 0.000 0.980 31 G CA 0.180 45.271 45.100 -0.017 0.000 0.632 31 G HN 0.501 nan 8.290 nan 0.000 0.533 32 R N 0.272 120.788 120.500 0.026 0.000 2.543 32 R HA 0.485 4.825 4.340 -0.000 0.000 0.277 32 R C 0.099 176.409 176.300 0.016 0.000 1.074 32 R CA -0.181 55.944 56.100 0.042 0.000 1.076 32 R CB 0.577 30.928 30.300 0.085 0.000 0.993 32 R HN 0.072 nan 8.270 nan 0.000 0.459 33 V N 3.562 123.506 119.914 0.050 0.000 2.532 33 V HA 0.680 4.800 4.120 -0.000 0.000 0.295 33 V C 0.058 176.252 176.094 0.166 0.000 1.041 33 V CA -0.143 62.198 62.300 0.069 0.000 0.926 33 V CB 1.290 33.122 31.823 0.015 0.000 0.992 33 V HN 1.017 nan 8.190 nan 0.000 0.457 34 A N 4.882 127.819 122.820 0.195 0.000 2.524 34 A HA 0.929 5.249 4.320 -0.000 0.000 0.286 34 A C -1.223 176.486 177.584 0.208 0.000 1.203 34 A CA -0.680 51.491 52.037 0.224 0.000 0.736 34 A CB 1.487 20.611 19.000 0.207 0.000 1.322 34 A HN 0.660 nan 8.150 nan 0.000 0.424 35 I N 0.979 121.604 120.570 0.091 0.000 2.410 35 I HA 0.365 4.535 4.170 -0.000 0.000 0.286 35 I C -0.846 175.240 176.117 -0.050 0.000 1.009 35 I CA -0.848 60.428 61.300 -0.041 0.000 1.111 35 I CB 1.883 39.773 38.000 -0.184 0.000 1.262 35 I HN 0.297 nan 8.210 nan 0.000 0.443 36 V N 7.144 127.028 119.914 -0.051 0.000 2.461 36 V HA 0.317 4.437 4.120 -0.000 0.000 0.275 36 V C 0.126 176.152 176.094 -0.114 0.000 1.047 36 V CA -0.494 61.776 62.300 -0.050 0.000 0.955 36 V CB 1.362 33.151 31.823 -0.056 0.000 0.988 36 V HN 0.413 nan 8.190 nan 0.000 0.471 37 V N 3.870 123.720 119.914 -0.106 0.000 2.531 37 V HA 0.688 4.808 4.120 -0.000 0.000 0.301 37 V C 0.660 176.658 176.094 -0.160 0.000 1.034 37 V CA -0.382 61.766 62.300 -0.254 0.000 0.865 37 V CB 1.935 33.384 31.823 -0.625 0.000 0.995 37 V HN 0.983 nan 8.190 nan 0.000 0.424 38 G N 2.919 111.631 108.800 -0.147 0.000 2.395 38 G HA2 0.596 4.556 3.960 -0.000 0.000 0.283 38 G HA3 0.596 4.556 3.960 -0.000 0.000 0.283 38 G C -0.136 174.745 174.900 -0.033 0.000 1.178 38 G CA 0.045 45.110 45.100 -0.058 0.000 0.837 38 G HN 1.198 nan 8.290 nan 0.000 0.518 39 A N 4.218 127.074 122.820 0.060 0.000 3.216 39 A HA 0.625 4.945 4.320 -0.000 0.000 0.321 39 A C -1.251 176.371 177.584 0.063 0.000 1.042 39 A CA -1.004 51.116 52.037 0.139 0.000 0.838 39 A CB 1.327 20.563 19.000 0.394 0.000 1.136 39 A HN 0.456 nan 8.150 nan 0.000 0.483 40 P HA -0.184 nan 4.420 nan 0.000 0.222 40 P C 0.597 177.866 177.300 -0.050 0.000 1.142 40 P CA 1.163 64.184 63.100 -0.132 0.000 0.788 40 P CB 0.273 31.755 31.700 -0.363 0.000 0.767 41 R N -1.310 119.188 120.500 -0.003 0.000 2.472 41 R HA 0.204 4.544 4.340 -0.000 0.000 0.279 41 R C 0.461 176.795 176.300 0.057 0.000 0.953 41 R CA 0.066 56.179 56.100 0.020 0.000 1.088 41 R CB -0.708 29.602 30.300 0.017 0.000 1.197 41 R HN 0.122 nan 8.270 nan 0.000 0.536 42 T N 2.492 117.101 114.554 0.091 0.000 2.933 42 T HA 0.012 4.362 4.350 -0.000 0.000 0.306 42 T C 0.439 175.185 174.700 0.077 0.000 1.045 42 T CA 0.137 62.312 62.100 0.126 0.000 1.143 42 T CB 0.505 69.487 68.868 0.190 0.000 1.003 42 T HN -0.120 nan 8.240 nan 0.000 0.540 43 L N 3.176 124.445 121.223 0.076 0.000 2.426 43 L HA 0.442 4.782 4.340 -0.000 0.000 0.271 43 L C 1.177 178.072 176.870 0.043 0.000 1.169 43 L CA 0.493 55.365 54.840 0.053 0.000 0.836 43 L CB 0.353 42.441 42.059 0.050 0.000 1.112 43 L HN 0.804 nan 8.230 nan 0.000 0.465 44 G N 3.005 111.824 108.800 0.032 0.000 2.537 44 G HA2 0.389 4.349 3.960 -0.000 0.000 0.273 44 G HA3 0.389 4.349 3.960 -0.000 0.000 0.273 44 G C -1.916 172.999 174.900 0.026 0.000 1.189 44 G CA -0.913 44.202 45.100 0.024 0.000 0.881 44 G HN 0.601 nan 8.290 nan 0.000 0.535 45 P HA -0.051 nan 4.420 nan 0.000 0.218 45 P C 1.453 178.766 177.300 0.022 0.000 1.146 45 P CA 1.067 64.180 63.100 0.021 0.000 0.813 45 P CB 0.367 32.077 31.700 0.017 0.000 0.778 46 S N -1.021 114.693 115.700 0.024 0.000 2.679 46 S HA 0.081 4.551 4.470 -0.000 0.000 0.233 46 S C 0.316 174.931 174.600 0.024 0.000 0.951 46 S CA -0.067 58.147 58.200 0.024 0.000 0.973 46 S CB -0.604 62.612 63.200 0.026 0.000 0.778 46 S HN 0.017 nan 8.310 nan 0.000 0.477 47 Q N 0.737 120.552 119.800 0.025 0.000 2.494 47 Q HA -0.198 4.142 4.340 -0.000 0.000 0.266 47 Q C -0.182 175.833 176.000 0.025 0.000 1.053 47 Q CA 0.918 56.736 55.803 0.024 0.000 1.029 47 Q CB -1.549 27.201 28.738 0.021 0.000 1.423 47 Q HN 0.737 nan 8.270 nan 0.000 0.516 48 E N 0.196 120.413 120.200 0.028 0.000 2.183 48 E HA 0.288 4.638 4.350 -0.000 0.000 0.271 48 E C -0.812 175.807 176.600 0.033 0.000 0.919 48 E CA -0.588 55.830 56.400 0.030 0.000 0.781 48 E CB 0.907 30.629 29.700 0.037 0.000 1.140 48 E HN 0.175 nan 8.360 nan 0.000 0.402 49 E N 2.584 122.802 120.200 0.031 0.000 2.328 49 E HA 0.012 4.362 4.350 -0.000 0.000 0.265 49 E C 0.270 176.893 176.600 0.038 0.000 1.057 49 E CA 0.440 56.859 56.400 0.032 0.000 0.916 49 E CB 0.819 30.533 29.700 0.024 0.000 0.993 49 E HN 0.652 nan 8.360 nan 0.000 0.446 50 T N -0.072 114.499 114.554 0.027 0.000 2.966 50 T HA 0.383 4.733 4.350 -0.000 0.000 0.254 50 T C 0.866 175.552 174.700 -0.024 0.000 0.961 50 T CA 0.108 62.216 62.100 0.014 0.000 0.915 50 T CB 0.757 69.624 68.868 -0.001 0.000 1.186 50 T HN 0.709 nan 8.240 nan 0.000 0.505 51 G N -0.337 108.455 108.800 -0.015 0.000 2.566 51 G HA2 0.436 4.396 3.960 -0.000 0.000 0.599 51 G HA3 0.436 4.396 3.960 -0.000 0.000 0.599 51 G C -0.213 174.662 174.900 -0.041 0.000 1.292 51 G CA -0.490 44.590 45.100 -0.035 0.000 0.922 51 G HN 1.600 nan 8.290 nan 0.000 0.514 52 G N -2.441 106.336 108.800 -0.039 0.000 2.466 52 G HA2 0.745 4.705 3.960 -0.000 0.000 0.291 52 G HA3 0.745 4.705 3.960 -0.000 0.000 0.291 52 G C -1.407 173.474 174.900 -0.032 0.000 1.460 52 G CA 0.519 45.586 45.100 -0.055 0.000 0.791 52 G HN 1.756 nan 8.290 nan 0.000 0.505 53 V N -0.197 119.657 119.914 -0.100 0.000 2.823 53 V HA 0.821 4.941 4.120 -0.000 0.000 0.312 53 V C -1.120 174.836 176.094 -0.230 0.000 1.072 53 V CA -0.744 61.543 62.300 -0.022 0.000 0.937 53 V CB 1.840 33.723 31.823 0.099 0.000 1.013 53 V HN 0.638 nan 8.190 nan 0.000 0.430 54 F N 2.778 122.753 119.950 0.042 0.000 2.551 54 F HA 0.701 5.228 4.527 -0.000 0.000 0.316 54 F C -0.521 175.304 175.800 0.043 0.000 1.089 54 F CA -0.747 57.308 58.000 0.091 0.000 0.915 54 F CB 2.024 41.168 39.000 0.240 0.000 1.186 54 F HN 0.267 nan 8.300 nan 0.000 0.456 55 L N 3.864 125.215 121.223 0.215 0.000 2.318 55 L HA 0.552 4.892 4.340 -0.000 0.000 0.277 55 L C -1.178 175.793 176.870 0.169 0.000 1.008 55 L CA -0.533 54.393 54.840 0.143 0.000 0.846 55 L CB 0.390 42.509 42.059 0.099 0.000 1.220 55 L HN 0.666 nan 8.230 nan 0.000 0.423 56 c N 6.921 125.586 118.600 0.108 0.000 2.285 56 c HA 0.562 5.132 4.570 -0.000 0.000 0.335 56 c C -2.064 172.083 174.090 0.095 0.000 1.267 56 c CA -1.131 55.233 56.329 0.058 0.000 1.762 56 c CB 0.509 42.839 42.510 -0.300 0.000 2.365 56 c HN 0.608 nan 8.230 nan 0.000 0.527 57 P HA 0.041 nan 4.420 nan 0.000 0.282 57 P C -0.296 177.217 177.300 0.355 0.000 1.249 57 P CA -0.421 62.820 63.100 0.236 0.000 0.806 57 P CB 0.825 32.636 31.700 0.185 0.000 0.984 58 W N 5.698 127.104 121.300 0.177 0.000 2.264 58 W HA 0.105 4.765 4.660 -0.000 0.000 0.331 58 W C -0.238 176.404 176.519 0.206 0.000 1.364 58 W CA -0.198 57.281 57.345 0.223 0.000 1.253 58 W CB 0.466 30.024 29.460 0.164 0.000 1.215 58 W HN 0.477 nan 8.180 nan 0.000 0.561 59 R N 4.600 124.556 120.500 -0.908 0.000 2.678 59 R HA 0.416 4.756 4.340 -0.000 0.000 0.267 59 R C -0.154 175.441 176.300 -1.174 0.000 1.173 59 R CA -0.180 55.336 56.100 -0.973 0.000 1.061 59 R CB 0.379 30.473 30.300 -0.344 0.000 1.262 59 R HN 0.400 nan 8.270 nan 0.000 0.427 60 A N 2.809 124.974 122.820 -1.091 0.000 2.032 60 A HA -0.233 4.087 4.320 -0.000 0.000 0.221 60 A C 1.764 179.136 177.584 -0.355 0.000 1.165 60 A CA 1.736 53.423 52.037 -0.584 0.000 0.645 60 A CB -0.447 18.404 19.000 -0.247 0.000 0.807 60 A HN 0.898 nan 8.150 nan 0.000 0.453 61 E N -0.385 119.611 120.200 -0.339 0.000 2.216 61 E HA 0.228 4.578 4.350 -0.000 0.000 0.192 61 E C 1.310 177.732 176.600 -0.298 0.000 0.988 61 E CA 0.800 57.050 56.400 -0.249 0.000 0.834 61 E CB -1.109 28.482 29.700 -0.182 0.000 0.772 61 E HN 0.938 nan 8.360 nan 0.000 0.479 62 G N 0.969 109.507 108.800 -0.438 0.000 2.601 62 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.261 62 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.261 62 G C 0.571 175.261 174.900 -0.350 0.000 1.289 62 G CA 0.811 45.482 45.100 -0.715 0.000 0.920 62 G HN 1.206 nan 8.290 nan 0.000 0.571 63 G N -2.327 106.305 108.800 -0.280 0.000 2.341 63 G HA2 0.388 4.348 3.960 -0.000 0.000 0.196 63 G HA3 0.388 4.348 3.960 -0.000 0.000 0.196 63 G C -0.144 174.760 174.900 0.007 0.000 1.231 63 G CA 0.833 45.883 45.100 -0.084 0.000 1.155 63 G HN 1.636 nan 8.290 nan 0.000 0.529 64 Q N -0.538 119.265 119.800 0.005 0.000 2.432 64 Q HA 0.559 4.899 4.340 -0.000 0.000 0.264 64 Q C 0.028 176.113 176.000 0.141 0.000 1.035 64 Q CA 0.482 56.296 55.803 0.018 0.000 0.908 64 Q CB 0.722 29.471 28.738 0.019 0.000 1.280 64 Q HN 0.804 nan 8.270 nan 0.000 0.455 65 c N 3.170 121.874 118.600 0.174 0.000 2.707 65 c HA 0.646 5.216 4.570 -0.000 0.000 0.313 65 c C -2.246 172.090 174.090 0.409 0.000 1.209 65 c CA -1.448 55.073 56.329 0.320 0.000 1.635 65 c CB 1.504 44.262 42.510 0.414 0.000 2.206 65 c HN 0.747 nan 8.230 nan 0.000 0.485 66 P HA 0.214 nan 4.420 nan 0.000 0.275 66 P C -0.613 176.792 177.300 0.175 0.000 1.227 66 P CA 0.075 63.304 63.100 0.214 0.000 0.781 66 P CB 0.619 32.396 31.700 0.129 0.000 0.906 67 S N 2.218 117.917 115.700 -0.001 0.000 2.523 67 S HA 0.236 4.706 4.470 -0.000 0.000 0.275 67 S C -0.225 174.232 174.600 -0.239 0.000 1.281 67 S CA -0.573 57.429 58.200 -0.330 0.000 1.050 67 S CB -0.388 62.641 63.200 -0.285 0.000 0.937 67 S HN 0.349 nan 8.310 nan 0.000 0.492 68 L N 7.847 128.896 121.223 -0.289 0.000 2.302 68 L HA 0.433 4.773 4.340 -0.000 0.000 0.285 68 L C -0.462 176.158 176.870 -0.418 0.000 1.090 68 L CA -0.145 54.535 54.840 -0.268 0.000 0.866 68 L CB -0.028 41.929 42.059 -0.170 0.000 1.244 68 L HN 0.651 nan 8.230 nan 0.000 0.435 69 L N 4.985 125.962 121.223 -0.410 0.000 2.525 69 L HA 0.123 4.463 4.340 -0.000 0.000 0.278 69 L C -0.511 175.954 176.870 -0.674 0.000 1.218 69 L CA 0.732 55.335 54.840 -0.396 0.000 0.878 69 L CB -0.178 41.739 42.059 -0.237 0.000 1.127 69 L HN 0.459 nan 8.230 nan 0.000 0.492 70 F N 0.077 119.938 119.950 -0.149 0.000 2.643 70 F HA 0.250 4.777 4.527 -0.000 0.000 0.314 70 F C 0.099 175.816 175.800 -0.138 0.000 1.096 70 F CA -1.128 56.767 58.000 -0.174 0.000 0.953 70 F CB 1.210 39.974 39.000 -0.393 0.000 1.345 70 F HN 0.327 nan 8.300 nan 0.000 0.468 71 D N 1.726 122.224 120.400 0.163 0.000 2.338 71 D HA 0.219 4.859 4.640 -0.000 0.000 0.255 71 D C 0.029 176.362 176.300 0.055 0.000 1.237 71 D CA 0.151 54.222 54.000 0.119 0.000 0.883 71 D CB 0.828 41.744 40.800 0.194 0.000 1.087 71 D HN 0.232 nan 8.370 nan 0.000 0.485 72 L N 3.910 125.150 121.223 0.027 0.000 2.741 72 L HA 0.257 4.597 4.340 -0.000 0.000 0.237 72 L C 0.750 177.646 176.870 0.042 0.000 1.178 72 L CA 0.136 54.983 54.840 0.012 0.000 0.973 72 L CB -0.803 41.253 42.059 -0.005 0.000 1.255 72 L HN 0.202 nan 8.230 nan 0.000 0.498 73 R N -0.291 120.245 120.500 0.059 0.000 2.532 73 R HA 0.336 4.676 4.340 -0.000 0.000 0.295 73 R C -0.584 175.749 176.300 0.055 0.000 0.968 73 R CA -0.937 55.195 56.100 0.053 0.000 0.916 73 R CB 1.427 31.754 30.300 0.044 0.000 1.124 73 R HN -0.054 nan 8.270 nan 0.000 0.463 74 D N 2.563 122.984 120.400 0.034 0.000 2.424 74 D HA 0.025 4.665 4.640 -0.000 0.000 0.244 74 D C -0.206 176.070 176.300 -0.040 0.000 1.134 74 D CA 0.528 54.516 54.000 -0.019 0.000 0.881 74 D CB 0.740 41.510 40.800 -0.050 0.000 1.191 74 D HN 0.334 nan 8.370 nan 0.000 0.445 75 E N 0.638 120.801 120.200 -0.062 0.000 2.207 75 E HA 0.629 4.979 4.350 -0.000 0.000 0.270 75 E C -0.606 175.937 176.600 -0.094 0.000 0.927 75 E CA -0.882 55.498 56.400 -0.033 0.000 0.799 75 E CB 1.793 31.519 29.700 0.043 0.000 1.172 75 E HN 0.144 nan 8.360 nan 0.000 0.404 76 T N 2.241 116.760 114.554 -0.059 0.000 3.071 76 T HA 0.411 4.761 4.350 -0.000 0.000 0.311 76 T C -0.913 173.771 174.700 -0.027 0.000 1.042 76 T CA -0.898 61.157 62.100 -0.073 0.000 1.028 76 T CB 0.912 69.732 68.868 -0.080 0.000 1.068 76 T HN 0.200 nan 8.240 nan 0.000 0.451 77 R N 2.743 123.233 120.500 -0.017 0.000 2.574 77 R HA 0.438 4.778 4.340 -0.000 0.000 0.288 77 R C -0.929 175.372 176.300 0.002 0.000 1.004 77 R CA -0.843 55.260 56.100 0.005 0.000 0.895 77 R CB 1.621 31.941 30.300 0.033 0.000 1.191 77 R HN 0.536 nan 8.270 nan 0.000 0.444 78 N N 1.470 120.171 118.700 0.002 0.000 2.444 78 N HA 0.260 5.000 4.740 -0.000 0.000 0.271 78 N C -0.716 174.804 175.510 0.016 0.000 1.069 78 N CA -0.101 52.951 53.050 0.004 0.000 0.965 78 N CB 1.957 40.444 38.487 0.001 0.000 1.092 78 N HN 0.159 nan 8.380 nan 0.000 0.476 79 V N 1.820 121.748 119.914 0.024 0.000 2.380 79 V HA 0.460 4.580 4.120 -0.000 0.000 0.268 79 V C 0.891 177.002 176.094 0.030 0.000 1.008 79 V CA -0.195 62.125 62.300 0.034 0.000 0.823 79 V CB 0.392 32.250 31.823 0.059 0.000 1.053 79 V HN 1.002 nan 8.190 nan 0.000 0.446 80 G N 4.609 113.422 108.800 0.020 0.000 2.588 80 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.273 80 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.273 80 G C 0.985 175.892 174.900 0.012 0.000 1.211 80 G CA 0.526 45.636 45.100 0.017 0.000 0.958 80 G HN 0.667 nan 8.290 nan 0.000 0.543 81 S N 1.489 117.197 115.700 0.013 0.000 2.517 81 S HA 0.259 4.729 4.470 -0.000 0.000 0.214 81 S C 0.926 175.530 174.600 0.007 0.000 0.991 81 S CA 0.765 58.970 58.200 0.009 0.000 0.906 81 S CB 0.248 63.454 63.200 0.009 0.000 0.789 81 S HN 0.596 nan 8.310 nan 0.000 0.513 82 Q N 1.296 121.103 119.800 0.010 0.000 2.227 82 Q HA 0.399 4.739 4.340 -0.000 0.000 0.245 82 Q C -0.916 175.077 176.000 -0.011 0.000 0.926 82 Q CA -0.039 55.766 55.803 0.002 0.000 0.895 82 Q CB 1.130 29.878 28.738 0.017 0.000 1.230 82 Q HN 0.022 nan 8.270 nan 0.000 0.450 83 T N 2.475 117.006 114.554 -0.038 0.000 2.842 83 T HA 0.329 4.679 4.350 -0.000 0.000 0.308 83 T C -0.667 173.955 174.700 -0.128 0.000 1.041 83 T CA -0.663 61.403 62.100 -0.058 0.000 0.964 83 T CB 0.276 69.115 68.868 -0.048 0.000 0.972 83 T HN 0.167 nan 8.240 nan 0.000 0.460 84 L N 4.486 125.632 121.223 -0.127 0.000 2.305 84 L HA 0.446 4.786 4.340 -0.000 0.000 0.281 84 L C 0.445 177.141 176.870 -0.290 0.000 1.085 84 L CA 0.106 54.787 54.840 -0.264 0.000 0.813 84 L CB 0.609 42.665 42.059 -0.005 0.000 1.157 84 L HN 0.657 nan 8.230 nan 0.000 0.436 85 Q N 1.079 120.561 119.800 -0.530 0.000 2.315 85 Q HA 0.727 5.067 4.340 -0.000 0.000 0.273 85 Q C -0.980 174.773 176.000 -0.411 0.000 1.053 85 Q CA -0.936 54.603 55.803 -0.440 0.000 0.817 85 Q CB 2.018 30.481 28.738 -0.458 0.000 1.326 85 Q HN 0.580 nan 8.270 nan 0.000 0.423 86 T N -0.969 113.378 114.554 -0.345 0.000 2.885 86 T HA 0.775 5.125 4.350 -0.000 0.000 0.285 86 T C -0.843 173.584 174.700 -0.454 0.000 1.019 86 T CA -0.568 61.482 62.100 -0.084 0.000 1.010 86 T CB 0.684 69.639 68.868 0.146 0.000 1.022 86 T HN 0.426 nan 8.240 nan 0.000 0.466 87 F N 1.037 121.100 119.950 0.189 0.000 2.499 87 F HA 0.488 5.015 4.527 -0.000 0.000 0.333 87 F C 1.087 176.988 175.800 0.169 0.000 1.138 87 F CA -1.017 57.073 58.000 0.150 0.000 0.945 87 F CB 2.338 41.416 39.000 0.130 0.000 1.181 87 F HN 0.572 nan 8.300 nan 0.000 0.435 88 K N 1.804 122.364 120.400 0.266 0.000 2.387 88 K HA 0.372 4.692 4.320 -0.000 0.000 0.198 88 K C 0.501 177.203 176.600 0.171 0.000 1.022 88 K CA -0.163 56.244 56.287 0.199 0.000 1.128 88 K CB 0.603 33.184 32.500 0.134 0.000 0.853 88 K HN 0.590 nan 8.250 nan 0.000 0.523 89 A N 2.151 125.082 122.820 0.185 0.000 2.491 89 A HA 0.089 4.409 4.320 -0.000 0.000 0.261 89 A C 0.305 177.972 177.584 0.137 0.000 1.101 89 A CA -0.033 52.080 52.037 0.126 0.000 0.772 89 A CB -0.006 19.050 19.000 0.094 0.000 1.043 89 A HN 0.421 nan 8.150 nan 0.000 0.501 90 R N 0.914 121.479 120.500 0.108 0.000 3.875 90 R HA -0.257 4.083 4.340 -0.000 0.000 0.321 90 R C 1.137 177.581 176.300 0.241 0.000 1.196 90 R CA 1.415 57.587 56.100 0.120 0.000 0.868 90 R CB -2.417 27.924 30.300 0.067 0.000 1.333 90 R HN 1.106 nan 8.270 nan 0.000 0.522 91 Q N 0.390 120.322 119.800 0.221 0.000 2.291 91 Q HA -0.027 4.313 4.340 -0.000 0.000 0.205 91 Q C 1.083 177.188 176.000 0.174 0.000 0.970 91 Q CA 1.392 57.333 55.803 0.230 0.000 0.876 91 Q CB 0.081 28.898 28.738 0.132 0.000 0.935 91 Q HN 0.478 nan 8.270 nan 0.000 0.455 92 G N 1.738 110.636 108.800 0.164 0.000 2.289 92 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.280 92 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.280 92 G C -0.377 174.393 174.900 -0.217 0.000 1.089 92 G CA 0.108 45.232 45.100 0.040 0.000 0.939 92 G HN 0.436 nan 8.290 nan 0.000 0.499 93 L N 0.122 121.232 121.223 -0.188 0.000 2.513 93 L HA 0.532 4.872 4.340 -0.000 0.000 0.272 93 L C 1.487 178.205 176.870 -0.253 0.000 1.187 93 L CA 1.766 56.433 54.840 -0.287 0.000 0.895 93 L CB 0.642 42.478 42.059 -0.372 0.000 1.147 93 L HN 1.712 nan 8.230 nan 0.000 0.483 94 G N 3.011 111.646 108.800 -0.275 0.000 2.157 94 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.239 94 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.239 94 G C 0.817 175.602 174.900 -0.190 0.000 0.982 94 G CA 0.298 45.281 45.100 -0.194 0.000 0.650 94 G HN 1.325 nan 8.290 nan 0.000 0.527 95 A N -0.646 121.983 122.820 -0.318 0.000 2.248 95 A HA 0.608 4.928 4.320 -0.000 0.000 0.210 95 A C 1.238 178.724 177.584 -0.164 0.000 1.174 95 A CA 2.063 53.861 52.037 -0.399 0.000 0.750 95 A CB -0.034 18.532 19.000 -0.724 0.000 0.780 95 A HN 1.835 nan 8.150 nan 0.000 0.478 96 S N -1.192 114.404 115.700 -0.175 0.000 2.548 96 S HA 0.518 4.988 4.470 -0.000 0.000 0.278 96 S C -1.182 173.344 174.600 -0.124 0.000 1.150 96 S CA 0.075 58.193 58.200 -0.136 0.000 0.907 96 S CB 1.236 64.317 63.200 -0.199 0.000 1.108 96 S HN 1.285 nan 8.310 nan 0.000 0.459 97 V N 1.373 121.234 119.914 -0.089 0.000 3.012 97 V HA 1.031 5.151 4.120 -0.000 0.000 0.307 97 V C -0.971 175.093 176.094 -0.050 0.000 1.166 97 V CA -0.666 61.589 62.300 -0.074 0.000 0.974 97 V CB 1.206 32.987 31.823 -0.070 0.000 1.040 97 V HN 1.174 nan 8.190 nan 0.000 0.428 98 V N 1.947 121.848 119.914 -0.022 0.000 3.000 98 V HA 0.822 4.942 4.120 -0.000 0.000 0.300 98 V C -0.853 175.278 176.094 0.063 0.000 1.251 98 V CA 0.566 62.877 62.300 0.018 0.000 0.972 98 V CB 2.394 34.227 31.823 0.016 0.000 1.065 98 V HN 1.631 nan 8.190 nan 0.000 0.431 99 S N 5.798 121.566 115.700 0.114 0.000 2.473 99 S HA 0.759 5.229 4.470 -0.000 0.000 0.307 99 S C -1.621 173.149 174.600 0.284 0.000 1.094 99 S CA -0.410 57.893 58.200 0.172 0.000 1.070 99 S CB 1.155 64.472 63.200 0.195 0.000 1.019 99 S HN 1.014 nan 8.310 nan 0.000 0.480 100 W N 4.748 126.112 121.300 0.105 0.000 2.785 100 W HA 0.457 5.117 4.660 -0.000 0.000 0.333 100 W C 1.039 177.621 176.519 0.104 0.000 1.062 100 W CA -0.141 57.259 57.345 0.091 0.000 1.233 100 W CB 1.484 30.982 29.460 0.064 0.000 1.413 100 W HN 0.832 nan 8.180 nan 0.000 0.489 101 S N 2.558 117.814 115.700 -0.740 0.000 2.521 101 S HA -0.393 4.077 4.470 -0.000 0.000 0.246 101 S C 1.482 175.909 174.600 -0.288 0.000 1.059 101 S CA 2.214 60.070 58.200 -0.573 0.000 1.302 101 S CB -1.155 61.528 63.200 -0.863 0.000 1.216 101 S HN 0.719 nan 8.310 nan 0.000 0.421 102 D N 1.216 121.482 120.400 -0.224 0.000 7.136 102 D HA -0.208 4.432 4.640 -0.000 0.000 0.223 102 D C 0.771 177.142 176.300 0.117 0.000 1.984 102 D CA 2.035 55.994 54.000 -0.067 0.000 0.688 102 D CB -0.856 39.858 40.800 -0.144 0.000 0.682 102 D HN 0.736 nan 8.370 nan 0.000 0.940 103 V N -2.215 117.807 119.914 0.180 0.000 2.919 103 V HA 0.610 4.730 4.120 -0.000 0.000 0.316 103 V C 0.236 176.427 176.094 0.162 0.000 1.077 103 V CA -1.039 61.401 62.300 0.232 0.000 0.977 103 V CB 2.455 34.499 31.823 0.368 0.000 1.039 103 V HN 0.003 nan 8.190 nan 0.000 0.441 104 I N 1.951 122.578 120.570 0.095 0.000 2.410 104 I HA 0.457 4.627 4.170 -0.000 0.000 0.286 104 I C -0.870 175.314 176.117 0.111 0.000 1.009 104 I CA -0.754 60.556 61.300 0.016 0.000 1.111 104 I CB 2.063 39.999 38.000 -0.106 0.000 1.262 104 I HN 0.430 nan 8.210 nan 0.000 0.443 105 V N 5.794 125.753 119.914 0.075 0.000 2.350 105 V HA 0.675 4.795 4.120 -0.000 0.000 0.276 105 V C 0.298 176.374 176.094 -0.030 0.000 1.028 105 V CA -0.454 61.868 62.300 0.036 0.000 0.860 105 V CB 1.222 33.055 31.823 0.018 0.000 0.990 105 V HN 0.792 nan 8.190 nan 0.000 0.453 106 A N 4.479 127.244 122.820 -0.092 0.000 2.330 106 A HA 0.758 5.078 4.320 -0.000 0.000 0.313 106 A C -0.434 177.030 177.584 -0.200 0.000 1.124 106 A CA -0.381 51.538 52.037 -0.197 0.000 0.774 106 A CB 1.069 19.866 19.000 -0.339 0.000 1.198 106 A HN 0.831 nan 8.150 nan 0.000 0.465 107 c N 1.115 119.598 118.600 -0.196 0.000 2.470 107 c HA 0.903 5.473 4.570 -0.000 0.000 0.341 107 c C 0.756 174.691 174.090 -0.258 0.000 1.190 107 c CA -0.173 56.045 56.329 -0.184 0.000 1.904 107 c CB 1.387 43.767 42.510 -0.216 0.000 2.354 107 c HN 1.095 nan 8.230 nan 0.000 0.509 108 A N 1.822 124.508 122.820 -0.222 0.000 2.763 108 A HA 0.591 4.911 4.320 -0.000 0.000 0.325 108 A C -2.132 175.210 177.584 -0.403 0.000 1.209 108 A CA -0.860 51.001 52.037 -0.294 0.000 0.764 108 A CB 0.232 19.177 19.000 -0.091 0.000 1.120 108 A HN 0.633 nan 8.150 nan 0.000 0.463 109 P HA -0.101 nan 4.420 nan 0.000 0.223 109 P C 0.407 177.251 177.300 -0.759 0.000 1.144 109 P CA 1.085 63.694 63.100 -0.818 0.000 0.783 109 P CB 0.159 31.153 31.700 -1.177 0.000 0.771 110 W N -0.799 120.463 121.300 -0.064 0.000 2.966 110 W HA 0.348 5.008 4.660 -0.000 0.000 0.406 110 W C 0.357 176.865 176.519 -0.017 0.000 1.027 110 W CA -0.489 56.825 57.345 -0.053 0.000 1.930 110 W CB -1.065 28.395 29.460 0.001 0.000 1.144 110 W HN 0.064 nan 8.180 nan 0.000 0.626 111 Q N 1.213 121.051 119.800 0.063 0.000 2.289 111 Q HA 0.018 4.358 4.340 -0.000 0.000 0.273 111 Q C -0.654 175.416 176.000 0.118 0.000 1.029 111 Q CA 0.578 56.471 55.803 0.150 0.000 0.896 111 Q CB 0.569 29.366 28.738 0.098 0.000 1.182 111 Q HN 0.125 nan 8.270 nan 0.000 0.385 112 H N 2.760 121.993 119.070 0.272 0.000 2.482 112 H HA 0.364 4.920 4.556 -0.000 0.000 0.344 112 H C -1.074 174.560 175.328 0.510 0.000 1.151 112 H CA -0.144 56.102 56.048 0.329 0.000 1.300 112 H CB 0.874 30.782 29.762 0.244 0.000 1.494 112 H HN 0.611 nan 8.280 nan 0.000 0.542 113 W N 3.146 124.630 121.300 0.307 0.000 3.032 113 W HA 0.461 5.121 4.660 -0.000 0.000 0.335 113 W C -1.806 174.866 176.519 0.256 0.000 1.154 113 W CA -0.545 56.937 57.345 0.228 0.000 1.204 113 W CB 2.061 31.546 29.460 0.042 0.000 1.416 113 W HN 0.664 nan 8.180 nan 0.000 0.521 114 N N 2.282 120.645 118.700 -0.561 0.000 2.710 114 N HA 0.541 5.281 4.740 -0.000 0.000 0.257 114 N C -2.338 172.692 175.510 -0.800 0.000 1.327 114 N CA -0.528 52.241 53.050 -0.469 0.000 0.861 114 N CB 2.475 40.969 38.487 0.011 0.000 1.532 114 N HN 0.112 nan 8.380 nan 0.000 0.499 115 V N 2.488 122.146 119.914 -0.427 0.000 2.612 115 V HA 0.428 4.548 4.120 -0.000 0.000 0.301 115 V C -0.545 175.476 176.094 -0.121 0.000 1.059 115 V CA -0.627 61.490 62.300 -0.306 0.000 0.886 115 V CB 1.558 33.273 31.823 -0.180 0.000 1.007 115 V HN 0.486 nan 8.190 nan 0.000 0.426 116 L N 3.792 124.961 121.223 -0.091 0.000 2.309 116 L HA 0.720 5.060 4.340 -0.000 0.000 0.282 116 L C -0.103 176.755 176.870 -0.020 0.000 1.036 116 L CA -0.336 54.483 54.840 -0.036 0.000 0.806 116 L CB 1.803 43.847 42.059 -0.025 0.000 1.220 116 L HN 0.745 nan 8.230 nan 0.000 0.429 117 E N 4.277 124.475 120.200 -0.004 0.000 2.502 117 E HA 0.295 4.645 4.350 -0.000 0.000 0.261 117 E C -0.718 175.886 176.600 0.006 0.000 0.974 117 E CA -0.401 56.001 56.400 0.003 0.000 0.795 117 E CB 0.852 30.557 29.700 0.008 0.000 1.385 117 E HN 0.567 nan 8.360 nan 0.000 0.400 118 K N 0.058 120.461 120.400 0.005 0.000 1.939 118 K HA -0.287 4.033 4.320 -0.000 0.000 0.165 118 K C 0.986 177.591 176.600 0.008 0.000 1.508 118 K CA 1.943 58.233 56.287 0.006 0.000 0.525 118 K CB -1.534 30.970 32.500 0.007 0.000 0.615 118 K HN 0.672 nan 8.250 nan 0.000 0.888 119 T N 0.271 114.831 114.554 0.010 0.000 3.228 119 T HA 0.022 4.372 4.350 -0.000 0.000 0.261 119 T C 0.280 174.991 174.700 0.017 0.000 1.171 119 T CA 1.028 63.136 62.100 0.013 0.000 1.056 119 T CB -0.273 68.603 68.868 0.013 0.000 0.938 119 T HN 0.335 nan 8.240 nan 0.000 0.539 120 E N 0.720 120.931 120.200 0.018 0.000 2.281 120 E HA 0.593 4.943 4.350 -0.000 0.000 0.262 120 E C -0.409 176.206 176.600 0.026 0.000 0.933 120 E CA -1.030 55.386 56.400 0.026 0.000 0.809 120 E CB 1.590 31.306 29.700 0.027 0.000 1.242 120 E HN 0.714 nan 8.360 nan 0.000 0.418 121 E N -0.463 119.760 120.200 0.039 0.000 2.458 121 E HA 0.615 4.965 4.350 -0.000 0.000 0.278 121 E C -0.299 176.342 176.600 0.068 0.000 1.004 121 E CA -0.840 55.581 56.400 0.034 0.000 0.823 121 E CB 1.075 30.789 29.700 0.024 0.000 1.396 121 E HN 0.383 nan 8.360 nan 0.000 0.463 122 A N 0.543 123.401 122.820 0.062 0.000 1.874 122 A HA 0.138 4.458 4.320 -0.000 0.000 0.214 122 A C 0.335 178.002 177.584 0.138 0.000 1.189 122 A CA 1.683 53.799 52.037 0.131 0.000 0.615 122 A CB -0.543 18.540 19.000 0.138 0.000 0.830 122 A HN 0.671 nan 8.150 nan 0.000 0.443 123 E N -3.409 116.846 120.200 0.091 0.000 5.791 123 E HA 0.014 4.364 4.350 -0.000 0.000 0.540 123 E C -1.274 175.367 176.600 0.069 0.000 1.275 123 E CA -0.332 56.120 56.400 0.086 0.000 2.925 123 E CB -0.067 29.708 29.700 0.125 0.000 0.825 123 E HN 0.304 nan 8.360 nan 0.000 0.274 124 K N 2.145 122.584 120.400 0.065 0.000 2.263 124 K HA 0.367 4.687 4.320 -0.000 0.000 0.282 124 K C -0.846 175.898 176.600 0.239 0.000 1.089 124 K CA 0.267 56.611 56.287 0.095 0.000 0.907 124 K CB 0.476 32.926 32.500 -0.082 0.000 1.148 124 K HN 0.494 nan 8.250 nan 0.000 0.470 125 T N 0.951 115.675 114.554 0.283 0.000 2.901 125 T HA 0.487 4.837 4.350 -0.000 0.000 0.293 125 T C -2.819 171.873 174.700 -0.013 0.000 1.084 125 T CA -2.426 59.817 62.100 0.238 0.000 1.008 125 T CB 1.824 70.743 68.868 0.085 0.000 1.170 125 T HN 0.231 nan 8.240 nan 0.000 0.509 126 P HA 0.238 nan 4.420 nan 0.000 0.238 126 P C 1.320 178.501 177.300 -0.199 0.000 1.794 126 P CA -0.581 62.264 63.100 -0.427 0.000 1.088 126 P CB -0.116 31.433 31.700 -0.252 0.000 1.923 127 V N 0.017 119.825 119.914 -0.176 0.000 2.548 127 V HA 0.186 4.306 4.120 -0.000 0.000 0.249 127 V C 1.060 176.990 176.094 -0.273 0.000 1.055 127 V CA 1.023 63.175 62.300 -0.247 0.000 1.065 127 V CB -1.842 29.792 31.823 -0.314 0.000 0.681 127 V HN 0.595 nan 8.190 nan 0.000 0.462 128 G N -0.384 108.280 108.800 -0.226 0.000 2.829 128 G HA2 0.109 4.069 3.960 -0.000 0.000 0.628 128 G HA3 0.109 4.069 3.960 -0.000 0.000 0.628 128 G C -0.327 174.398 174.900 -0.292 0.000 1.412 128 G CA 0.130 45.081 45.100 -0.248 0.000 0.864 128 G HN 1.727 nan 8.290 nan 0.000 0.544 129 S N -1.825 113.708 115.700 -0.279 0.000 2.558 129 S HA 0.585 5.054 4.470 -0.000 0.000 0.277 129 S C -0.610 173.802 174.600 -0.314 0.000 1.143 129 S CA 0.150 58.134 58.200 -0.360 0.000 0.865 129 S CB 1.027 63.992 63.200 -0.391 0.000 1.102 129 S HN 1.593 nan 8.310 nan 0.000 0.454 130 c N 3.524 121.896 118.600 -0.380 0.000 2.382 130 c HA 0.760 5.330 4.570 -0.000 0.000 0.327 130 c C -0.963 172.890 174.090 -0.395 0.000 1.250 130 c CA -0.575 55.606 56.329 -0.246 0.000 1.707 130 c CB -0.088 42.334 42.510 -0.148 0.000 2.272 130 c HN 0.721 nan 8.230 nan 0.000 0.506 131 F N 3.683 123.444 119.950 -0.315 0.000 2.436 131 F HA 0.617 5.144 4.527 -0.000 0.000 0.340 131 F C 0.120 175.813 175.800 -0.179 0.000 1.113 131 F CA -0.773 57.039 58.000 -0.314 0.000 1.022 131 F CB 0.754 39.373 39.000 -0.636 0.000 1.128 131 F HN 0.106 nan 8.300 nan 0.000 0.466 132 L N 2.924 124.155 121.223 0.013 0.000 2.331 132 L HA 0.875 5.215 4.340 -0.000 0.000 0.275 132 L C -0.200 176.818 176.870 0.247 0.000 1.022 132 L CA -0.867 53.996 54.840 0.038 0.000 0.812 132 L CB 1.249 43.104 42.059 -0.339 0.000 1.257 132 L HN 0.750 nan 8.230 nan 0.000 0.435 133 A N 2.477 125.507 122.820 0.351 0.000 2.520 133 A HA 0.586 4.906 4.320 -0.000 0.000 0.298 133 A C -0.924 176.812 177.584 0.253 0.000 1.051 133 A CA -0.492 51.721 52.037 0.293 0.000 0.690 133 A CB 1.894 20.981 19.000 0.146 0.000 1.281 133 A HN 0.702 nan 8.150 nan 0.000 0.402 134 Q N 2.761 122.671 119.800 0.183 0.000 2.571 134 Q HA 0.369 4.709 4.340 -0.000 0.000 0.243 134 Q C -2.105 173.923 176.000 0.048 0.000 1.055 134 Q CA -2.079 53.775 55.803 0.084 0.000 0.815 134 Q CB 1.129 29.856 28.738 -0.019 0.000 1.151 134 Q HN 0.472 nan 8.270 nan 0.000 0.519 135 P HA -0.273 nan 4.420 nan 0.000 0.217 135 P C 0.255 177.570 177.300 0.025 0.000 1.158 135 P CA 1.610 64.731 63.100 0.035 0.000 0.887 135 P CB 0.364 32.123 31.700 0.098 0.000 0.792 136 E N -0.591 119.625 120.200 0.027 0.000 2.028 136 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 136 E C 2.134 178.728 176.600 -0.011 0.000 0.988 136 E CA 1.778 58.178 56.400 -0.001 0.000 0.799 136 E CB -0.554 29.124 29.700 -0.036 0.000 0.755 136 E HN 0.335 nan 8.360 nan 0.000 0.447 137 S N -0.877 114.812 115.700 -0.018 0.000 2.489 137 S HA 0.109 4.579 4.470 -0.000 0.000 0.228 137 S C 1.752 176.350 174.600 -0.004 0.000 0.995 137 S CA 0.626 58.816 58.200 -0.018 0.000 0.934 137 S CB 0.428 63.608 63.200 -0.034 0.000 0.771 137 S HN 0.458 nan 8.310 nan 0.000 0.522 138 G N 1.467 110.267 108.800 0.000 0.000 2.253 138 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.251 138 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.251 138 G C 0.250 175.165 174.900 0.026 0.000 0.998 138 G CA -0.032 45.067 45.100 -0.002 0.000 0.621 138 G HN 0.539 nan 8.290 nan 0.000 0.524 139 R N 0.852 121.385 120.500 0.056 0.000 2.523 139 R HA 0.225 4.565 4.340 -0.000 0.000 0.281 139 R C 0.293 176.730 176.300 0.228 0.000 0.969 139 R CA 0.548 56.729 56.100 0.135 0.000 1.093 139 R CB 0.183 30.553 30.300 0.116 0.000 0.917 139 R HN 0.268 nan 8.270 nan 0.000 0.408 140 R N 0.672 121.309 120.500 0.229 0.000 2.807 140 R HA 0.708 5.048 4.340 -0.000 0.000 0.276 140 R C -0.790 175.505 176.300 -0.010 0.000 0.979 140 R CA -0.870 55.321 56.100 0.152 0.000 0.928 140 R CB 2.302 32.654 30.300 0.088 0.000 1.191 140 R HN 0.728 nan 8.270 nan 0.000 0.471 141 A N 0.679 123.287 122.820 -0.355 0.000 2.593 141 A HA 0.680 5.000 4.320 -0.000 0.000 0.290 141 A C -1.394 175.677 177.584 -0.855 0.000 1.126 141 A CA -0.585 50.948 52.037 -0.840 0.000 0.695 141 A CB 2.336 20.641 19.000 -1.159 0.000 1.290 141 A HN 0.658 nan 8.150 nan 0.000 0.414 142 E N -0.761 118.865 120.200 -0.956 0.000 2.383 142 E HA 0.566 4.916 4.350 -0.000 0.000 0.275 142 E C -2.396 174.213 176.600 0.015 0.000 0.918 142 E CA -0.502 55.577 56.400 -0.535 0.000 0.764 142 E CB 2.254 31.609 29.700 -0.574 0.000 1.252 142 E HN 0.635 nan 8.360 nan 0.000 0.449 143 Y N 1.633 121.772 120.300 -0.267 0.000 2.332 143 Y HA 0.407 4.957 4.550 -0.000 0.000 0.325 143 Y C -1.398 174.256 175.900 -0.409 0.000 1.054 143 Y CA -0.830 57.117 58.100 -0.255 0.000 1.119 143 Y CB 1.900 40.217 38.460 -0.239 0.000 1.168 143 Y HN 0.324 nan 8.280 nan 0.000 0.439 144 S N 8.644 123.825 115.700 -0.865 0.000 2.204 144 S HA 0.300 4.770 4.470 -0.000 0.000 0.147 144 S C -1.979 171.997 174.600 -1.040 0.000 1.711 144 S CA -1.175 56.486 58.200 -0.900 0.000 1.274 144 S CB 0.536 63.306 63.200 -0.716 0.000 1.257 144 S HN 0.622 nan 8.310 nan 0.000 0.404 145 P HA -0.017 nan 4.420 nan 0.000 0.223 145 P C 0.905 177.828 177.300 -0.627 0.000 1.144 145 P CA 0.873 63.452 63.100 -0.868 0.000 0.783 145 P CB -0.134 31.082 31.700 -0.808 0.000 0.771 146 c N -0.515 117.715 118.600 -0.617 0.000 2.696 146 c HA 0.204 4.774 4.570 -0.000 0.000 0.264 146 c C 1.373 175.146 174.090 -0.528 0.000 1.288 146 c CA -0.568 55.464 56.329 -0.494 0.000 1.717 146 c CB -1.123 41.121 42.510 -0.444 0.000 1.893 146 c HN 0.196 nan 8.230 nan 0.000 0.577 147 R N 1.456 121.503 120.500 -0.755 0.000 2.590 147 R HA 0.462 4.802 4.340 -0.000 0.000 0.274 147 R C 0.350 176.331 176.300 -0.532 0.000 1.061 147 R CA 0.555 56.017 56.100 -1.062 0.000 1.081 147 R CB 0.273 29.524 30.300 -1.748 0.000 0.984 147 R HN 0.463 nan 8.270 nan 0.000 0.448 148 G N 0.405 109.139 108.800 -0.111 0.000 2.766 148 G HA2 0.198 4.158 3.960 -0.000 0.000 0.288 148 G HA3 0.198 4.158 3.960 -0.000 0.000 0.288 148 G C -0.434 174.709 174.900 0.406 0.000 1.408 148 G CA -0.652 44.539 45.100 0.152 0.000 0.852 148 G HN 0.653 nan 8.290 nan 0.000 0.487 149 N N -0.970 117.897 118.700 0.278 0.000 2.305 149 N HA 0.116 4.856 4.740 -0.000 0.000 0.248 149 N C -0.233 175.367 175.510 0.151 0.000 1.290 149 N CA -0.217 52.980 53.050 0.243 0.000 0.873 149 N CB 0.739 39.355 38.487 0.215 0.000 1.261 149 N HN 0.254 nan 8.380 nan 0.000 0.504 150 T N 1.917 116.562 114.554 0.151 0.000 2.884 150 T HA 0.308 4.658 4.350 -0.000 0.000 0.298 150 T C 0.558 175.317 174.700 0.099 0.000 0.998 150 T CA -0.265 61.855 62.100 0.033 0.000 1.124 150 T CB 1.023 69.796 68.868 -0.159 0.000 0.931 150 T HN 0.120 nan 8.240 nan 0.000 0.531 151 L N 2.275 123.517 121.223 0.031 0.000 2.418 151 L HA 0.204 4.544 4.340 -0.000 0.000 0.265 151 L C 2.042 178.988 176.870 0.127 0.000 1.143 151 L CA -0.358 54.530 54.840 0.081 0.000 0.809 151 L CB 0.780 42.862 42.059 0.039 0.000 1.124 151 L HN 0.720 nan 8.230 nan 0.000 0.456 152 S N 1.856 117.675 115.700 0.198 0.000 2.380 152 S HA -0.291 4.179 4.470 -0.000 0.000 0.229 152 S C 2.054 176.759 174.600 0.175 0.000 1.050 152 S CA 2.247 60.603 58.200 0.260 0.000 1.100 152 S CB -0.237 63.073 63.200 0.183 0.000 0.984 152 S HN 0.727 nan 8.310 nan 0.000 0.434 153 R N 0.217 120.765 120.500 0.081 0.000 2.154 153 R HA -0.127 4.213 4.340 -0.000 0.000 0.248 153 R C 2.063 178.344 176.300 -0.033 0.000 1.155 153 R CA 1.905 58.020 56.100 0.025 0.000 0.979 153 R CB -0.412 29.896 30.300 0.015 0.000 0.869 153 R HN 0.447 nan 8.270 nan 0.000 0.452 154 I N 0.397 120.925 120.570 -0.070 0.000 2.226 154 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 154 I C 1.856 177.843 176.117 -0.218 0.000 1.100 154 I CA 1.409 62.611 61.300 -0.162 0.000 1.374 154 I CB -1.341 36.514 38.000 -0.241 0.000 1.057 154 I HN 0.179 nan 8.210 nan 0.000 0.413 155 Y N 0.599 120.817 120.300 -0.137 0.000 2.274 155 Y HA -0.144 4.406 4.550 -0.000 0.000 0.290 155 Y C 2.643 178.120 175.900 -0.705 0.000 1.145 155 Y CA 0.936 58.853 58.100 -0.304 0.000 1.203 155 Y CB -0.977 37.361 38.460 -0.204 0.000 0.984 155 Y HN -0.091 nan 8.280 nan 0.000 0.533 156 V N 0.054 119.712 119.914 -0.426 0.000 2.270 156 V HA -0.271 3.849 4.120 -0.000 0.000 0.245 156 V C 1.932 177.876 176.094 -0.249 0.000 1.043 156 V CA 2.140 64.168 62.300 -0.453 0.000 1.014 156 V CB -0.602 31.133 31.823 -0.146 0.000 0.645 156 V HN 0.368 nan 8.190 nan 0.000 0.447 157 E N 0.099 120.211 120.200 -0.147 0.000 2.204 157 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 157 E C 2.010 178.555 176.600 -0.091 0.000 0.990 157 E CA 1.069 57.416 56.400 -0.088 0.000 0.821 157 E CB -0.265 29.398 29.700 -0.061 0.000 0.750 157 E HN 0.625 nan 8.360 nan 0.000 0.477 158 N N 0.545 119.168 118.700 -0.127 0.000 2.331 158 N HA -0.133 4.607 4.740 -0.000 0.000 0.180 158 N C -0.127 175.325 175.510 -0.097 0.000 1.019 158 N CA 0.440 53.435 53.050 -0.090 0.000 0.881 158 N CB 0.275 38.717 38.487 -0.075 0.000 0.972 158 N HN 0.027 nan 8.380 nan 0.000 0.435 159 D N -0.451 119.861 120.400 -0.146 0.000 2.809 159 D HA -0.177 4.463 4.640 -0.000 0.000 0.234 159 D C -0.872 175.478 176.300 0.082 0.000 1.111 159 D CA 0.278 54.259 54.000 -0.031 0.000 0.726 159 D CB -1.534 39.258 40.800 -0.013 0.000 1.089 159 D HN 0.260 nan 8.370 nan 0.000 0.436 160 F N -1.451 118.533 119.950 0.055 0.000 2.943 160 F HA -0.296 4.231 4.527 -0.000 0.000 0.258 160 F C 0.920 176.759 175.800 0.064 0.000 0.995 160 F CA 0.990 59.069 58.000 0.133 0.000 0.896 160 F CB -2.086 36.938 39.000 0.040 0.000 0.821 160 F HN -0.058 nan 8.300 nan 0.000 0.828 161 S N -1.269 114.472 115.700 0.068 0.000 2.610 161 S HA 0.390 4.860 4.470 -0.000 0.000 0.273 161 S C -0.113 174.460 174.600 -0.046 0.000 1.274 161 S CA -0.287 57.739 58.200 -0.290 0.000 1.023 161 S CB 0.485 63.274 63.200 -0.684 0.000 0.962 161 S HN 0.506 nan 8.310 nan 0.000 0.523 162 W N 0.140 121.570 121.300 0.217 0.000 6.170 162 W HA -0.197 4.463 4.660 -0.000 0.000 0.394 162 W C -0.322 176.450 176.519 0.422 0.000 1.480 162 W CA -0.071 57.471 57.345 0.327 0.000 1.027 162 W CB -1.830 27.758 29.460 0.213 0.000 2.638 162 W HN 0.586 nan 8.180 nan 0.000 1.547 163 D N 1.362 122.074 120.400 0.520 0.000 2.441 163 D HA 0.180 4.820 4.640 -0.000 0.000 0.221 163 D C 0.722 177.020 176.300 -0.004 0.000 1.156 163 D CA -0.196 53.958 54.000 0.257 0.000 0.896 163 D CB 0.469 41.430 40.800 0.268 0.000 1.028 163 D HN 0.336 nan 8.370 nan 0.000 0.509 164 K N 2.433 122.757 120.400 -0.127 0.000 2.493 164 K HA 0.195 4.515 4.320 -0.000 0.000 0.207 164 K C 1.366 177.677 176.600 -0.481 0.000 1.033 164 K CA -0.269 55.817 56.287 -0.335 0.000 1.161 164 K CB 0.802 33.127 32.500 -0.292 0.000 0.873 164 K HN 0.076 nan 8.250 nan 0.000 0.491 165 R N 0.093 120.137 120.500 -0.759 0.000 2.237 165 R HA -0.099 4.241 4.340 -0.000 0.000 0.219 165 R C 0.300 176.031 176.300 -0.949 0.000 1.080 165 R CA 1.255 56.810 56.100 -0.907 0.000 0.995 165 R CB -0.031 29.605 30.300 -1.106 0.000 0.875 165 R HN 0.349 nan 8.270 nan 0.000 0.462 166 Y N -3.809 116.285 120.300 -0.343 0.000 2.715 166 Y HA 0.252 4.802 4.550 -0.000 0.000 0.255 166 Y C 1.233 176.935 175.900 -0.330 0.000 1.139 166 Y CA -1.217 56.676 58.100 -0.345 0.000 1.151 166 Y CB -0.796 37.350 38.460 -0.523 0.000 1.201 166 Y HN -0.111 nan 8.280 nan 0.000 0.556 167 c N 0.837 119.277 118.600 -0.267 0.000 2.376 167 c HA -0.265 4.305 4.570 -0.000 0.000 0.275 167 c C 1.341 175.324 174.090 -0.179 0.000 1.200 167 c CA 2.023 58.201 56.329 -0.251 0.000 1.756 167 c CB -0.709 41.613 42.510 -0.314 0.000 2.050 167 c HN 0.762 nan 8.230 nan 0.000 0.460 168 E N -0.899 119.198 120.200 -0.171 0.000 2.358 168 E HA -0.190 4.160 4.350 -0.000 0.000 0.246 168 E C 0.088 176.577 176.600 -0.184 0.000 1.127 168 E CA 0.060 56.376 56.400 -0.140 0.000 0.726 168 E CB -1.471 28.234 29.700 0.008 0.000 1.272 168 E HN 0.772 nan 8.360 nan 0.000 0.390 169 A N 0.148 122.817 122.820 -0.252 0.000 2.565 169 A HA 0.378 4.698 4.320 -0.000 0.000 0.237 169 A C 1.632 179.064 177.584 -0.254 0.000 1.053 169 A CA 1.215 53.089 52.037 -0.272 0.000 0.755 169 A CB 0.135 18.912 19.000 -0.372 0.000 0.980 169 A HN 1.169 nan 8.150 nan 0.000 0.506 170 G N 0.929 109.607 108.800 -0.203 0.000 2.157 170 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.239 170 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.239 170 G C 0.634 175.419 174.900 -0.191 0.000 0.982 170 G CA 0.706 45.685 45.100 -0.200 0.000 0.650 170 G HN 1.218 nan 8.290 nan 0.000 0.527 171 F N 2.423 122.184 119.950 -0.314 0.000 2.161 171 F HA 0.171 4.698 4.527 -0.000 0.000 0.300 171 F C 1.626 177.270 175.800 -0.261 0.000 1.089 171 F CA 2.240 60.047 58.000 -0.321 0.000 1.282 171 F CB 0.148 38.976 39.000 -0.286 0.000 1.010 171 F HN 0.539 nan 8.300 nan 0.000 0.485 172 S N -1.005 114.702 115.700 0.012 0.000 2.595 172 S HA 0.728 5.198 4.470 -0.000 0.000 0.281 172 S C -0.648 173.891 174.600 -0.102 0.000 1.117 172 S CA -0.113 58.051 58.200 -0.060 0.000 0.873 172 S CB 1.897 65.088 63.200 -0.015 0.000 1.108 172 S HN 0.391 nan 8.310 nan 0.000 0.477 173 S N -0.562 115.073 115.700 -0.109 0.000 2.543 173 S HA 0.800 5.270 4.470 -0.000 0.000 0.274 173 S C -0.939 173.604 174.600 -0.094 0.000 1.149 173 S CA -0.384 57.749 58.200 -0.111 0.000 0.866 173 S CB 0.779 63.917 63.200 -0.103 0.000 1.111 173 S HN 2.205 nan 8.310 nan 0.000 0.457 174 V N -1.404 118.449 119.914 -0.102 0.000 3.178 174 V HA 0.948 5.068 4.120 -0.000 0.000 0.302 174 V C -1.284 174.755 176.094 -0.093 0.000 1.262 174 V CA -0.889 61.365 62.300 -0.076 0.000 1.030 174 V CB 1.325 33.102 31.823 -0.076 0.000 1.074 174 V HN 1.027 nan 8.190 nan 0.000 0.438 175 V N 1.548 121.424 119.914 -0.064 0.000 2.588 175 V HA 0.669 4.789 4.120 -0.000 0.000 0.304 175 V C 0.641 176.664 176.094 -0.119 0.000 1.042 175 V CA 0.184 62.396 62.300 -0.147 0.000 0.877 175 V CB 1.958 33.678 31.823 -0.170 0.000 0.996 175 V HN 1.294 nan 8.190 nan 0.000 0.425 176 T N 1.202 115.659 114.554 -0.161 0.000 2.813 176 T HA 0.151 4.501 4.350 -0.000 0.000 0.297 176 T C 0.977 175.636 174.700 -0.068 0.000 1.036 176 T CA -0.187 61.876 62.100 -0.063 0.000 1.044 176 T CB 0.894 69.742 68.868 -0.034 0.000 0.993 176 T HN 0.640 nan 8.240 nan 0.000 0.535 177 Q N 0.874 120.723 119.800 0.081 0.000 2.096 177 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 177 Q C 2.442 178.614 176.000 0.287 0.000 0.982 177 Q CA 1.706 57.654 55.803 0.242 0.000 0.850 177 Q CB -0.641 28.205 28.738 0.180 0.000 0.901 177 Q HN 0.948 nan 8.270 nan 0.000 0.422 178 A N 0.251 123.124 122.820 0.087 0.000 2.264 178 A HA 0.184 4.504 4.320 -0.000 0.000 0.207 178 A C 1.291 178.779 177.584 -0.159 0.000 1.196 178 A CA 0.875 52.946 52.037 0.057 0.000 0.778 178 A CB -0.713 18.291 19.000 0.008 0.000 0.779 178 A HN 0.504 nan 8.150 nan 0.000 0.483 179 G N -0.476 107.935 108.800 -0.648 0.000 2.182 179 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.248 179 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.248 179 G C -0.355 174.023 174.900 -0.869 0.000 1.042 179 G CA 0.250 44.345 45.100 -1.676 0.000 0.775 179 G HN 0.702 nan 8.290 nan 0.000 0.501 180 E N -0.402 119.483 120.200 -0.525 0.000 2.109 180 E HA 0.501 4.851 4.350 -0.000 0.000 0.278 180 E C 0.060 176.485 176.600 -0.292 0.000 0.954 180 E CA -1.015 55.194 56.400 -0.318 0.000 0.779 180 E CB 1.913 31.508 29.700 -0.176 0.000 1.093 180 E HN 0.209 nan 8.360 nan 0.000 0.401 181 L N 4.359 125.423 121.223 -0.266 0.000 2.361 181 L HA 0.141 4.481 4.340 -0.000 0.000 0.278 181 L C -1.015 175.757 176.870 -0.165 0.000 1.113 181 L CA -0.155 54.563 54.840 -0.204 0.000 0.849 181 L CB 0.857 42.806 42.059 -0.182 0.000 1.155 181 L HN 0.293 nan 8.230 nan 0.000 0.452 182 V N 6.814 126.619 119.914 -0.180 0.000 2.350 182 V HA 0.377 4.497 4.120 -0.000 0.000 0.285 182 V C -0.234 175.749 176.094 -0.185 0.000 1.014 182 V CA -0.694 61.468 62.300 -0.231 0.000 0.831 182 V CB 1.234 32.806 31.823 -0.418 0.000 1.000 182 V HN 0.487 nan 8.190 nan 0.000 0.433 183 L N 4.235 125.374 121.223 -0.141 0.000 2.295 183 L HA 0.759 5.099 4.340 -0.000 0.000 0.285 183 L C 0.785 177.552 176.870 -0.172 0.000 1.035 183 L CA 0.201 54.956 54.840 -0.142 0.000 0.806 183 L CB 1.514 43.497 42.059 -0.127 0.000 1.214 183 L HN 0.721 nan 8.230 nan 0.000 0.426 184 G N 2.324 111.029 108.800 -0.159 0.000 2.332 184 G HA2 0.605 4.565 3.960 -0.000 0.000 0.310 184 G HA3 0.605 4.565 3.960 -0.000 0.000 0.310 184 G C -0.842 173.981 174.900 -0.128 0.000 1.123 184 G CA -0.236 44.769 45.100 -0.158 0.000 0.873 184 G HN 0.798 nan 8.290 nan 0.000 0.460 185 A N 5.066 127.806 122.820 -0.133 0.000 2.893 185 A HA 0.657 4.977 4.320 -0.000 0.000 0.333 185 A C -1.157 176.359 177.584 -0.112 0.000 1.152 185 A CA -1.240 50.706 52.037 -0.152 0.000 0.782 185 A CB 1.460 20.337 19.000 -0.204 0.000 1.108 185 A HN 0.463 nan 8.150 nan 0.000 0.469 186 P HA -0.172 nan 4.420 nan 0.000 0.218 186 P C 1.341 178.695 177.300 0.089 0.000 1.146 186 P CA 2.045 65.103 63.100 -0.070 0.000 0.813 186 P CB 0.175 31.605 31.700 -0.450 0.000 0.778 187 G N -0.397 108.385 108.800 -0.029 0.000 2.880 187 G HA2 0.138 4.098 3.960 -0.000 0.000 0.209 187 G HA3 0.138 4.098 3.960 -0.000 0.000 0.209 187 G C 0.904 175.682 174.900 -0.203 0.000 1.157 187 G CA 0.193 45.267 45.100 -0.043 0.000 0.779 187 G HN 0.447 nan 8.290 nan 0.000 0.539 188 G N -0.632 108.074 108.800 -0.156 0.000 2.414 188 G HA2 0.260 4.220 3.960 -0.000 0.000 0.236 188 G HA3 0.260 4.220 3.960 -0.000 0.000 0.236 188 G C -0.027 174.781 174.900 -0.153 0.000 1.293 188 G CA -0.235 44.693 45.100 -0.287 0.000 0.869 188 G HN 0.402 nan 8.290 nan 0.000 0.556 189 Y N -0.258 120.016 120.300 -0.043 0.000 3.057 189 Y HA -0.225 4.324 4.550 -0.000 0.000 0.192 189 Y C 0.790 176.736 175.900 0.077 0.000 1.448 189 Y CA 0.706 58.818 58.100 0.020 0.000 1.065 189 Y CB -2.811 35.651 38.460 0.003 0.000 1.369 189 Y HN 0.927 nan 8.280 nan 0.000 0.460 190 Y N -1.030 119.287 120.300 0.028 0.000 3.389 190 Y HA -0.236 4.314 4.550 -0.000 0.000 0.213 190 Y C 0.692 176.537 175.900 -0.093 0.000 1.272 190 Y CA 1.242 59.273 58.100 -0.116 0.000 1.444 190 Y CB -1.776 36.665 38.460 -0.033 0.000 1.445 190 Y HN 0.495 nan 8.280 nan 0.000 0.583 191 F N -4.435 115.611 119.950 0.159 0.000 2.681 191 F HA -0.349 4.178 4.527 -0.000 0.000 0.299 191 F C 0.977 176.903 175.800 0.210 0.000 0.676 191 F CA 0.585 58.698 58.000 0.188 0.000 1.496 191 F CB -2.033 37.060 39.000 0.155 0.000 1.827 191 F HN 0.154 nan 8.300 nan 0.000 0.328 192 L N 0.115 121.520 121.223 0.304 0.000 2.162 192 L HA 0.528 4.868 4.340 -0.000 0.000 0.205 192 L C 1.570 178.660 176.870 0.367 0.000 1.086 192 L CA 1.683 56.710 54.840 0.312 0.000 0.778 192 L CB -0.619 41.599 42.059 0.264 0.000 0.928 192 L HN 0.534 nan 8.230 nan 0.000 0.446 193 G N -0.203 108.778 108.800 0.301 0.000 2.712 193 G HA2 0.167 4.127 3.960 -0.000 0.000 0.686 193 G HA3 0.167 4.127 3.960 -0.000 0.000 0.686 193 G C -1.211 173.894 174.900 0.341 0.000 1.181 193 G CA -0.378 44.907 45.100 0.309 0.000 0.762 193 G HN 0.411 nan 8.290 nan 0.000 0.641 194 L N -0.873 120.483 121.223 0.221 0.000 2.491 194 L HA 1.019 5.359 4.340 -0.000 0.000 0.254 194 L C -0.998 175.938 176.870 0.110 0.000 1.048 194 L CA -1.497 53.462 54.840 0.199 0.000 0.855 194 L CB 1.675 43.608 42.059 -0.210 0.000 1.466 194 L HN 0.789 nan 8.230 nan 0.000 0.409 195 L N 1.429 122.674 121.223 0.036 0.000 2.346 195 L HA 0.957 5.297 4.340 -0.000 0.000 0.274 195 L C -0.386 176.365 176.870 -0.198 0.000 1.007 195 L CA -0.254 54.497 54.840 -0.148 0.000 0.818 195 L CB 1.879 43.833 42.059 -0.175 0.000 1.284 195 L HN 1.006 nan 8.230 nan 0.000 0.424 196 A N 3.816 126.561 122.820 -0.124 0.000 2.343 196 A HA 0.729 5.049 4.320 -0.000 0.000 0.308 196 A C -1.144 176.463 177.584 0.038 0.000 1.092 196 A CA -0.553 51.458 52.037 -0.043 0.000 0.751 196 A CB 1.265 20.199 19.000 -0.110 0.000 1.203 196 A HN 0.615 nan 8.150 nan 0.000 0.452 197 Q N 1.679 121.539 119.800 0.101 0.000 2.365 197 Q HA 0.843 5.183 4.340 -0.000 0.000 0.269 197 Q C -1.024 174.971 176.000 -0.007 0.000 1.061 197 Q CA -0.730 55.089 55.803 0.026 0.000 0.816 197 Q CB 2.340 31.090 28.738 0.020 0.000 1.325 197 Q HN 1.508 nan 8.270 nan 0.000 0.446 198 A N 2.804 125.547 122.820 -0.129 0.000 2.555 198 A HA 0.601 4.921 4.320 -0.000 0.000 0.297 198 A C -2.923 174.509 177.584 -0.253 0.000 1.060 198 A CA -1.206 50.696 52.037 -0.225 0.000 0.710 198 A CB 1.780 20.494 19.000 -0.476 0.000 1.282 198 A HN 0.601 nan 8.150 nan 0.000 0.399 199 P HA 0.217 nan 4.420 nan 0.000 0.271 199 P C 1.165 178.363 177.300 -0.169 0.000 1.220 199 P CA -0.116 62.877 63.100 -0.178 0.000 0.768 199 P CB 0.971 32.607 31.700 -0.107 0.000 0.848 200 V N 3.784 123.587 119.914 -0.184 0.000 2.324 200 V HA -0.343 3.777 4.120 -0.000 0.000 0.250 200 V C 2.296 178.494 176.094 0.173 0.000 1.060 200 V CA 2.743 65.025 62.300 -0.029 0.000 1.042 200 V CB -1.483 30.336 31.823 -0.006 0.000 0.650 200 V HN 0.669 nan 8.190 nan 0.000 0.450 201 A N 0.193 123.083 122.820 0.116 0.000 1.865 201 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 201 A C 1.973 179.648 177.584 0.151 0.000 1.191 201 A CA 2.256 54.387 52.037 0.157 0.000 0.623 201 A CB -0.756 18.298 19.000 0.090 0.000 0.826 201 A HN 0.556 nan 8.150 nan 0.000 0.444 202 D N -0.207 120.229 120.400 0.060 0.000 2.218 202 D HA -0.079 4.561 4.640 -0.000 0.000 0.204 202 D C 1.765 178.089 176.300 0.040 0.000 0.976 202 D CA 0.868 54.892 54.000 0.041 0.000 0.853 202 D CB -0.332 40.466 40.800 -0.005 0.000 0.939 202 D HN 0.549 nan 8.370 nan 0.000 0.481 203 I N -0.317 120.236 120.570 -0.028 0.000 2.252 203 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 203 I C 1.909 178.024 176.117 -0.002 0.000 1.102 203 I CA 0.659 61.903 61.300 -0.094 0.000 1.385 203 I CB -0.102 37.708 38.000 -0.317 0.000 1.064 203 I HN -0.113 nan 8.210 nan 0.000 0.414 204 F N 1.129 121.101 119.950 0.037 0.000 2.186 204 F HA -0.203 4.324 4.527 -0.000 0.000 0.299 204 F C 2.871 178.717 175.800 0.076 0.000 1.090 204 F CA 1.715 59.756 58.000 0.067 0.000 1.307 204 F CB -0.423 38.609 39.000 0.053 0.000 1.019 204 F HN 0.095 nan 8.300 nan 0.000 0.489 205 S N -1.540 114.303 115.700 0.239 0.000 2.562 205 S HA -0.038 4.432 4.470 -0.000 0.000 0.221 205 S C 1.575 176.228 174.600 0.088 0.000 0.975 205 S CA 0.658 58.943 58.200 0.142 0.000 0.918 205 S CB -0.583 62.681 63.200 0.106 0.000 0.772 205 S HN 0.298 nan 8.310 nan 0.000 0.531 206 S N -0.906 114.855 115.700 0.102 0.000 2.512 206 S HA 0.264 4.734 4.470 -0.000 0.000 0.216 206 S C 0.174 174.693 174.600 -0.134 0.000 1.006 206 S CA -0.633 57.606 58.200 0.066 0.000 0.915 206 S CB -0.659 62.667 63.200 0.210 0.000 0.824 206 S HN 0.521 nan 8.310 nan 0.000 0.497 207 Y N 3.431 123.599 120.300 -0.220 0.000 2.411 207 Y HA 0.501 5.051 4.550 -0.000 0.000 0.333 207 Y C 0.190 175.842 175.900 -0.414 0.000 1.186 207 Y CA -0.507 57.300 58.100 -0.488 0.000 1.381 207 Y CB 0.433 38.712 38.460 -0.301 0.000 1.273 207 Y HN 0.089 nan 8.280 nan 0.000 0.546 208 R N 6.469 126.038 120.500 -1.552 0.000 2.512 208 R HA 0.282 4.622 4.340 -0.000 0.000 0.291 208 R C -2.869 172.766 176.300 -1.109 0.000 1.097 208 R CA -1.980 53.519 56.100 -1.002 0.000 0.940 208 R CB 1.583 31.536 30.300 -0.578 0.000 1.198 208 R HN 0.495 nan 8.270 nan 0.000 0.429 209 P HA -0.045 nan 4.420 nan 0.000 0.261 209 P C 0.774 177.917 177.300 -0.262 0.000 1.173 209 P CA 1.273 64.154 63.100 -0.365 0.000 0.760 209 P CB 0.672 32.297 31.700 -0.126 0.000 0.783 210 G N 2.677 111.382 108.800 -0.159 0.000 2.234 210 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.235 210 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.235 210 G C 0.147 174.994 174.900 -0.088 0.000 0.997 210 G CA -0.388 44.657 45.100 -0.092 0.000 0.623 210 G HN 0.506 nan 8.290 nan 0.000 0.514 211 I N 1.797 122.254 120.570 -0.189 0.000 2.304 211 I HA 0.285 4.455 4.170 -0.000 0.000 0.291 211 I C 1.274 177.405 176.117 0.022 0.000 1.018 211 I CA -0.955 60.280 61.300 -0.109 0.000 1.260 211 I CB 1.333 39.209 38.000 -0.207 0.000 1.390 211 I HN -0.067 nan 8.210 nan 0.000 0.475 212 L N 6.865 128.211 121.223 0.205 0.000 2.209 212 L HA 0.126 4.466 4.340 -0.000 0.000 0.207 212 L C 0.328 177.457 176.870 0.432 0.000 1.094 212 L CA 1.101 56.159 54.840 0.363 0.000 0.790 212 L CB -0.513 41.782 42.059 0.394 0.000 0.932 212 L HN 0.435 nan 8.230 nan 0.000 0.447 213 L N 0.275 121.739 121.223 0.402 0.000 2.345 213 L HA 0.471 4.811 4.340 -0.000 0.000 0.274 213 L C -0.964 176.092 176.870 0.309 0.000 0.999 213 L CA -0.439 54.519 54.840 0.196 0.000 0.849 213 L CB 1.030 43.214 42.059 0.208 0.000 1.220 213 L HN 0.230 nan 8.230 nan 0.000 0.422 214 W N 3.237 124.437 121.300 -0.168 0.000 3.018 214 W HA 0.662 5.322 4.660 -0.000 0.000 0.352 214 W C -1.561 174.797 176.519 -0.267 0.000 1.230 214 W CA -0.761 56.538 57.345 -0.077 0.000 1.162 214 W CB 1.028 30.472 29.460 -0.027 0.000 1.483 214 W HN 0.391 nan 8.180 nan 0.000 0.584 215 H N 0.817 119.898 119.070 0.018 0.000 2.689 215 H HA 0.393 4.949 4.556 -0.000 0.000 0.346 215 H C -1.016 174.354 175.328 0.070 0.000 1.037 215 H CA -0.853 55.148 56.048 -0.079 0.000 1.234 215 H CB 2.440 32.179 29.762 -0.038 0.000 1.572 215 H HN 0.234 nan 8.280 nan 0.000 0.524 216 V N 3.612 123.598 119.914 0.120 0.000 2.405 216 V HA -0.094 4.026 4.120 -0.000 0.000 0.264 216 V C 1.680 177.840 176.094 0.109 0.000 1.048 216 V CA 0.360 62.745 62.300 0.141 0.000 0.966 216 V CB 0.873 32.734 31.823 0.063 0.000 1.015 216 V HN 0.933 nan 8.190 nan 0.000 0.477 217 S N 3.667 119.432 115.700 0.108 0.000 2.423 217 S HA -0.197 4.273 4.470 -0.000 0.000 0.238 217 S C 1.694 176.328 174.600 0.056 0.000 1.028 217 S CA 1.653 59.899 58.200 0.077 0.000 1.000 217 S CB -0.345 62.894 63.200 0.064 0.000 0.797 217 S HN 0.942 nan 8.310 nan 0.000 0.487 218 S N 0.938 116.662 115.700 0.041 0.000 2.556 218 S HA 0.139 4.609 4.470 -0.000 0.000 0.216 218 S C 0.672 175.283 174.600 0.018 0.000 0.970 218 S CA -0.511 57.703 58.200 0.024 0.000 0.912 218 S CB -0.601 62.602 63.200 0.005 0.000 0.790 218 S HN 0.865 nan 8.310 nan 0.000 0.504 219 Q N 1.189 121.009 119.800 0.032 0.000 2.392 219 Q HA 0.478 4.818 4.340 -0.000 0.000 0.262 219 Q C -0.606 175.442 176.000 0.081 0.000 1.003 219 Q CA -0.186 55.646 55.803 0.048 0.000 0.888 219 Q CB 0.592 29.387 28.738 0.096 0.000 1.260 219 Q HN 0.105 nan 8.270 nan 0.000 0.435 220 S N 2.586 118.348 115.700 0.103 0.000 2.605 220 S HA 0.564 5.034 4.470 -0.000 0.000 0.308 220 S C -1.415 173.329 174.600 0.239 0.000 1.113 220 S CA -0.728 57.573 58.200 0.169 0.000 1.049 220 S CB 0.734 64.010 63.200 0.127 0.000 1.001 220 S HN 0.525 nan 8.310 nan 0.000 0.480 221 L N 3.824 125.143 121.223 0.160 0.000 2.346 221 L HA 0.585 4.925 4.340 -0.000 0.000 0.274 221 L C 0.710 177.331 176.870 -0.416 0.000 1.007 221 L CA -0.179 54.628 54.840 -0.054 0.000 0.818 221 L CB 1.994 44.024 42.059 -0.049 0.000 1.284 221 L HN 0.806 nan 8.230 nan 0.000 0.424 222 S N 1.040 116.198 115.700 -0.903 0.000 2.617 222 S HA 0.538 5.008 4.470 -0.000 0.000 0.255 222 S C -0.146 174.006 174.600 -0.747 0.000 1.318 222 S CA -0.349 57.080 58.200 -1.284 0.000 0.978 222 S CB 0.252 62.854 63.200 -0.998 0.000 0.961 222 S HN 0.201 nan 8.310 nan 0.000 0.582 223 F N -0.461 119.467 119.950 -0.036 0.000 2.509 223 F HA 0.565 5.092 4.527 -0.000 0.000 0.334 223 F C 0.807 176.344 175.800 -0.439 0.000 1.060 223 F CA -1.377 56.557 58.000 -0.109 0.000 0.997 223 F CB 0.280 39.227 39.000 -0.088 0.000 1.271 223 F HN 0.488 nan 8.300 nan 0.000 0.488 224 D N -0.316 119.725 120.400 -0.598 0.000 2.411 224 D HA 0.440 5.080 4.640 -0.000 0.000 0.251 224 D C -0.851 175.237 176.300 -0.354 0.000 1.201 224 D CA 0.180 53.725 54.000 -0.759 0.000 0.996 224 D CB 1.605 41.865 40.800 -0.899 0.000 1.101 224 D HN 0.455 nan 8.370 nan 0.000 0.504 225 S N -1.272 114.274 115.700 -0.257 0.000 2.537 225 S HA 0.356 4.826 4.470 -0.000 0.000 0.270 225 S C 0.020 174.635 174.600 0.026 0.000 1.142 225 S CA -0.249 57.858 58.200 -0.156 0.000 0.870 225 S CB 0.999 64.032 63.200 -0.278 0.000 1.112 225 S HN 0.356 nan 8.310 nan 0.000 0.466 226 S N 2.118 117.846 115.700 0.047 0.000 2.539 226 S HA 0.205 4.675 4.470 -0.000 0.000 0.221 226 S C 0.371 175.048 174.600 0.128 0.000 0.987 226 S CA -0.342 57.953 58.200 0.159 0.000 0.929 226 S CB -0.674 62.558 63.200 0.053 0.000 0.832 226 S HN 0.738 nan 8.310 nan 0.000 0.492 227 N N 2.661 121.390 118.700 0.048 0.000 2.405 227 N HA 0.179 4.919 4.740 -0.000 0.000 0.260 227 N C -2.114 173.115 175.510 -0.468 0.000 1.152 227 N CA -1.671 51.335 53.050 -0.073 0.000 0.948 227 N CB 1.040 39.604 38.487 0.129 0.000 1.111 227 N HN -0.017 nan 8.380 nan 0.000 0.485 228 P HA -0.148 nan 4.420 nan 0.000 0.223 228 P C 0.213 176.750 177.300 -1.272 0.000 1.144 228 P CA 1.096 63.196 63.100 -1.666 0.000 0.783 228 P CB 0.191 31.407 31.700 -0.806 0.000 0.771 229 E N -1.773 117.925 120.200 -0.838 0.000 2.204 229 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 229 E C 1.198 177.072 176.600 -1.209 0.000 0.990 229 E CA 1.020 56.743 56.400 -1.130 0.000 0.821 229 E CB -0.457 28.693 29.700 -0.916 0.000 0.750 229 E HN 0.457 nan 8.360 nan 0.000 0.477 230 Y N -0.472 119.550 120.300 -0.463 0.000 2.517 230 Y HA 0.013 4.563 4.550 -0.000 0.000 0.281 230 Y C 0.554 176.486 175.900 0.053 0.000 1.125 230 Y CA -0.260 57.812 58.100 -0.047 0.000 1.283 230 Y CB 0.225 38.768 38.460 0.138 0.000 1.042 230 Y HN -0.120 nan 8.280 nan 0.000 0.547 231 F N 2.269 122.088 119.950 -0.218 0.000 2.608 231 F HA -0.055 4.472 4.527 -0.000 0.000 0.380 231 F C 1.050 176.683 175.800 -0.278 0.000 1.083 231 F CA -0.248 57.630 58.000 -0.202 0.000 1.266 231 F CB -0.303 38.539 39.000 -0.262 0.000 1.076 231 F HN 0.275 nan 8.300 nan 0.000 0.574 232 D N 1.047 121.459 120.400 0.021 0.000 2.955 232 D HA -0.197 4.443 4.640 -0.000 0.000 0.226 232 D C 1.541 177.507 176.300 -0.556 0.000 1.178 232 D CA 1.024 54.882 54.000 -0.238 0.000 0.808 232 D CB -1.223 39.424 40.800 -0.255 0.000 1.099 232 D HN 0.833 nan 8.370 nan 0.000 0.421 233 G N -0.442 108.232 108.800 -0.211 0.000 2.650 233 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.214 233 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.214 233 G C 0.514 175.446 174.900 0.054 0.000 1.136 233 G CA 0.187 45.237 45.100 -0.083 0.000 0.789 233 G HN 0.347 nan 8.290 nan 0.000 0.536 234 Y N -2.682 117.774 120.300 0.260 0.000 3.589 234 Y HA -0.165 4.385 4.550 -0.000 0.000 0.218 234 Y C 0.630 176.690 175.900 0.266 0.000 1.234 234 Y CA -0.490 57.750 58.100 0.233 0.000 1.576 234 Y CB -2.566 36.023 38.460 0.215 0.000 1.487 234 Y HN 0.474 nan 8.280 nan 0.000 0.616 235 W N 1.838 123.285 121.300 0.246 0.000 2.505 235 W HA 0.393 5.053 4.660 -0.000 0.000 0.332 235 W C 1.111 177.687 176.519 0.095 0.000 1.434 235 W CA 1.792 59.241 57.345 0.173 0.000 1.320 235 W CB 0.188 29.782 29.460 0.225 0.000 1.363 235 W HN 0.677 nan 8.180 nan 0.000 0.565 236 G N 4.394 113.097 108.800 -0.160 0.000 2.148 236 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.157 236 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.157 236 G C 0.187 175.039 174.900 -0.079 0.000 1.012 236 G CA 0.002 44.962 45.100 -0.233 0.000 0.677 236 G HN 0.683 nan 8.290 nan 0.000 0.506 237 Y N 1.998 122.227 120.300 -0.118 0.000 2.373 237 Y HA 0.318 4.868 4.550 -0.000 0.000 0.293 237 Y C 1.478 177.428 175.900 0.083 0.000 1.129 237 Y CA 1.929 60.010 58.100 -0.031 0.000 1.226 237 Y CB 0.375 38.860 38.460 0.042 0.000 1.000 237 Y HN 0.731 nan 8.280 nan 0.000 0.549 238 S N -0.662 115.107 115.700 0.115 0.000 2.556 238 S HA 0.721 5.191 4.470 -0.000 0.000 0.271 238 S C -1.171 173.362 174.600 -0.113 0.000 1.135 238 S CA -0.267 57.937 58.200 0.006 0.000 0.858 238 S CB 1.856 65.061 63.200 0.008 0.000 1.114 238 S HN 0.335 nan 8.310 nan 0.000 0.468 239 V N -1.994 117.847 119.914 -0.121 0.000 3.147 239 V HA 1.082 5.202 4.120 -0.000 0.000 0.306 239 V C -0.320 175.708 176.094 -0.110 0.000 1.209 239 V CA -0.482 61.725 62.300 -0.156 0.000 1.023 239 V CB 0.832 32.535 31.823 -0.199 0.000 1.059 239 V HN 2.105 nan 8.190 nan 0.000 0.435 240 A N 1.439 124.207 122.820 -0.088 0.000 2.586 240 A HA 0.951 5.271 4.320 -0.000 0.000 0.291 240 A C -0.917 176.686 177.584 0.033 0.000 1.062 240 A CA -0.090 51.926 52.037 -0.035 0.000 0.666 240 A CB 1.614 20.595 19.000 -0.031 0.000 1.281 240 A HN 2.450 nan 8.150 nan 0.000 0.421 241 V N -1.525 118.424 119.914 0.058 0.000 2.960 241 V HA 1.078 5.198 4.120 -0.000 0.000 0.315 241 V C 0.236 176.360 176.094 0.050 0.000 1.087 241 V CA 0.124 62.504 62.300 0.134 0.000 0.982 241 V CB 1.261 33.175 31.823 0.150 0.000 1.039 241 V HN 2.427 nan 8.190 nan 0.000 0.437 242 G N 0.685 109.531 108.800 0.076 0.000 2.490 242 G HA2 0.542 4.502 3.960 -0.000 0.000 0.308 242 G HA3 0.542 4.502 3.960 -0.000 0.000 0.308 242 G C -1.849 172.980 174.900 -0.117 0.000 1.286 242 G CA -0.456 44.518 45.100 -0.210 0.000 0.825 242 G HN 0.690 nan 8.290 nan 0.000 0.479 243 E N 0.194 120.244 120.200 -0.250 0.000 2.102 243 E HA 0.573 4.923 4.350 -0.000 0.000 0.263 243 E C -1.019 175.259 176.600 -0.537 0.000 0.894 243 E CA -0.707 55.591 56.400 -0.171 0.000 0.746 243 E CB 0.907 30.606 29.700 -0.001 0.000 1.129 243 E HN 0.290 nan 8.360 nan 0.000 0.416 244 F N 1.393 121.423 119.950 0.134 0.000 2.772 244 F HA 0.155 4.682 4.527 -0.000 0.000 0.316 244 F C 0.758 176.706 175.800 0.246 0.000 1.114 244 F CA -0.338 57.757 58.000 0.160 0.000 1.191 244 F CB 0.820 39.872 39.000 0.087 0.000 1.065 244 F HN 0.223 nan 8.300 nan 0.000 0.534 245 D N -1.918 118.684 120.400 0.337 0.000 2.582 245 D HA 0.293 4.933 4.640 -0.000 0.000 0.246 245 D C 1.687 178.125 176.300 0.230 0.000 1.334 245 D CA 0.432 54.684 54.000 0.419 0.000 0.805 245 D CB 0.058 40.997 40.800 0.231 0.000 1.087 245 D HN 0.216 nan 8.370 nan 0.000 0.499 246 G N 0.858 109.687 108.800 0.048 0.000 2.609 246 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.235 246 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.235 246 G C 0.137 175.020 174.900 -0.029 0.000 1.177 246 G CA 0.342 45.390 45.100 -0.087 0.000 0.707 246 G HN 0.539 nan 8.290 nan 0.000 0.513 247 D N 1.459 121.869 120.400 0.017 0.000 2.349 247 D HA 0.313 4.953 4.640 -0.000 0.000 0.266 247 D C 1.833 178.140 176.300 0.011 0.000 1.293 247 D CA -0.051 53.959 54.000 0.017 0.000 0.926 247 D CB 0.372 41.194 40.800 0.037 0.000 1.090 247 D HN 0.323 nan 8.370 nan 0.000 0.502 248 L N 3.773 124.995 121.223 -0.002 0.000 2.465 248 L HA -0.081 4.259 4.340 -0.000 0.000 0.224 248 L C 1.876 178.749 176.870 0.006 0.000 1.145 248 L CA 0.281 55.119 54.840 -0.003 0.000 0.834 248 L CB -0.263 41.789 42.059 -0.012 0.000 0.944 248 L HN 0.308 nan 8.230 nan 0.000 0.451 249 N N -0.412 118.294 118.700 0.010 0.000 2.515 249 N HA -0.061 4.679 4.740 -0.000 0.000 0.185 249 N C 0.310 175.828 175.510 0.013 0.000 1.109 249 N CA 0.561 53.619 53.050 0.014 0.000 0.903 249 N CB 0.272 38.769 38.487 0.017 0.000 0.969 249 N HN 0.291 nan 8.380 nan 0.000 0.450 250 T N -3.124 111.438 114.554 0.012 0.000 2.863 250 T HA 0.573 4.923 4.350 -0.000 0.000 0.285 250 T C -0.327 174.363 174.700 -0.017 0.000 1.009 250 T CA -0.883 61.216 62.100 -0.001 0.000 0.989 250 T CB 1.847 70.727 68.868 0.020 0.000 1.004 250 T HN -0.131 nan 8.240 nan 0.000 0.455 251 T N 2.621 117.135 114.554 -0.067 0.000 2.918 251 T HA 0.668 5.018 4.350 -0.000 0.000 0.286 251 T C -0.713 173.880 174.700 -0.178 0.000 1.026 251 T CA -1.028 61.030 62.100 -0.070 0.000 1.031 251 T CB 1.429 70.270 68.868 -0.045 0.000 1.046 251 T HN 0.802 nan 8.240 nan 0.000 0.479 252 E N 1.230 121.381 120.200 -0.081 0.000 2.312 252 E HA 0.425 4.775 4.350 -0.000 0.000 0.267 252 E C -1.469 175.144 176.600 0.022 0.000 0.894 252 E CA -0.979 55.347 56.400 -0.122 0.000 0.773 252 E CB 1.238 31.002 29.700 0.107 0.000 1.241 252 E HN 0.517 nan 8.360 nan 0.000 0.432 253 Y N -0.339 119.996 120.300 0.058 0.000 2.387 253 Y HA 0.466 5.016 4.550 -0.000 0.000 0.330 253 Y C 0.246 176.119 175.900 -0.046 0.000 1.133 253 Y CA -1.445 56.661 58.100 0.011 0.000 1.152 253 Y CB 1.583 40.050 38.460 0.012 0.000 1.215 253 Y HN 0.184 nan 8.280 nan 0.000 0.466 254 V N 3.658 123.616 119.914 0.073 0.000 2.407 254 V HA 0.491 4.611 4.120 -0.000 0.000 0.291 254 V C -0.662 175.331 176.094 -0.167 0.000 1.018 254 V CA -0.819 61.425 62.300 -0.094 0.000 0.842 254 V CB 1.400 33.150 31.823 -0.122 0.000 0.996 254 V HN 0.549 nan 8.190 nan 0.000 0.426 255 V N 3.468 123.226 119.914 -0.260 0.000 2.555 255 V HA 0.761 4.881 4.120 -0.000 0.000 0.302 255 V C 0.673 176.540 176.094 -0.378 0.000 1.038 255 V CA -0.475 61.555 62.300 -0.451 0.000 0.887 255 V CB 2.013 33.264 31.823 -0.953 0.000 0.991 255 V HN 0.899 nan 8.190 nan 0.000 0.434 256 G N 2.550 111.172 108.800 -0.297 0.000 2.335 256 G HA2 0.598 4.558 3.960 -0.000 0.000 0.316 256 G HA3 0.598 4.558 3.960 -0.000 0.000 0.316 256 G C -0.169 174.669 174.900 -0.104 0.000 1.129 256 G CA -0.193 44.794 45.100 -0.189 0.000 0.899 256 G HN 1.120 nan 8.290 nan 0.000 0.448 257 A N 5.300 128.099 122.820 -0.034 0.000 2.938 257 A HA 0.629 4.949 4.320 -0.000 0.000 0.344 257 A C -0.947 176.668 177.584 0.051 0.000 1.142 257 A CA -1.311 50.799 52.037 0.121 0.000 0.841 257 A CB 1.102 20.279 19.000 0.294 0.000 1.083 257 A HN 0.484 nan 8.150 nan 0.000 0.479 258 P HA -0.173 nan 4.420 nan 0.000 0.218 258 P C 0.944 178.004 177.300 -0.400 0.000 1.146 258 P CA 2.021 64.858 63.100 -0.438 0.000 0.813 258 P CB -0.051 30.988 31.700 -1.101 0.000 0.778 259 T N -7.189 107.239 114.554 -0.210 0.000 3.174 259 T HA 0.144 4.494 4.350 -0.000 0.000 0.269 259 T C -0.021 174.623 174.700 -0.092 0.000 1.017 259 T CA -0.833 61.173 62.100 -0.156 0.000 0.899 259 T CB -0.964 67.773 68.868 -0.219 0.000 1.077 259 T HN -0.019 nan 8.240 nan 0.000 0.552 260 W N 2.438 123.638 121.300 -0.167 0.000 2.193 260 W HA 0.411 5.071 4.660 -0.000 0.000 0.338 260 W C 0.667 177.069 176.519 -0.195 0.000 1.310 260 W CA 0.931 58.161 57.345 -0.192 0.000 1.243 260 W CB 0.265 29.640 29.460 -0.142 0.000 1.165 260 W HN 0.314 nan 8.180 nan 0.000 0.566 261 S N 6.504 121.496 115.700 -1.180 0.000 3.477 261 S HA -0.230 4.240 4.470 -0.000 0.000 0.426 261 S C -0.067 174.404 174.600 -0.215 0.000 0.874 261 S CA 0.660 58.261 58.200 -0.999 0.000 1.341 261 S CB -1.492 60.992 63.200 -1.193 0.000 0.917 261 S HN 0.908 nan 8.310 nan 0.000 0.607 262 W N 0.457 121.563 121.300 -0.324 0.000 6.562 262 W HA -0.329 4.331 4.660 -0.000 0.000 0.418 262 W C 1.263 177.714 176.519 -0.114 0.000 1.645 262 W CA 1.517 58.752 57.345 -0.184 0.000 1.086 262 W CB -3.040 26.319 29.460 -0.169 0.000 2.865 262 W HN 1.721 nan 8.180 nan 0.000 1.517 263 T N -3.983 110.577 114.554 0.010 0.000 5.221 263 T HA -0.365 3.985 4.350 -0.000 0.000 0.299 263 T C 1.040 175.789 174.700 0.080 0.000 1.489 263 T CA 1.352 63.479 62.100 0.045 0.000 2.593 263 T CB -1.554 67.371 68.868 0.095 0.000 1.859 263 T HN 0.473 nan 8.240 nan 0.000 0.982 264 L N 1.154 122.426 121.223 0.082 0.000 2.044 264 L HA 0.371 4.711 4.340 -0.000 0.000 0.205 264 L C 1.675 178.619 176.870 0.123 0.000 1.075 264 L CA 1.799 56.701 54.840 0.103 0.000 0.747 264 L CB -0.865 41.261 42.059 0.112 0.000 0.903 264 L HN 1.221 nan 8.230 nan 0.000 0.435 265 G N -1.002 107.908 108.800 0.184 0.000 2.663 265 G HA2 0.242 4.202 3.960 -0.000 0.000 0.686 265 G HA3 0.242 4.202 3.960 -0.000 0.000 0.686 265 G C -0.921 174.169 174.900 0.316 0.000 1.246 265 G CA -0.387 44.847 45.100 0.223 0.000 0.795 265 G HN 0.873 nan 8.290 nan 0.000 0.627 266 A N -0.854 122.154 122.820 0.314 0.000 2.586 266 A HA 0.951 5.271 4.320 -0.000 0.000 0.291 266 A C -1.086 176.531 177.584 0.054 0.000 1.062 266 A CA 0.144 52.270 52.037 0.149 0.000 0.666 266 A CB 1.658 20.433 19.000 -0.375 0.000 1.281 266 A HN 2.203 nan 8.150 nan 0.000 0.421 267 V N 1.506 121.410 119.914 -0.017 0.000 2.612 267 V HA 0.435 4.555 4.120 -0.000 0.000 0.301 267 V C -0.597 175.397 176.094 -0.167 0.000 1.059 267 V CA -0.431 61.776 62.300 -0.155 0.000 0.886 267 V CB 1.666 33.327 31.823 -0.270 0.000 1.007 267 V HN 0.919 nan 8.190 nan 0.000 0.426 268 E N 4.845 124.966 120.200 -0.132 0.000 2.212 268 E HA 0.612 4.962 4.350 -0.000 0.000 0.270 268 E C -1.242 175.311 176.600 -0.077 0.000 0.956 268 E CA -0.939 55.429 56.400 -0.053 0.000 0.825 268 E CB 2.587 32.368 29.700 0.134 0.000 1.167 268 E HN 0.342 nan 8.360 nan 0.000 0.400 269 I N 3.443 123.973 120.570 -0.067 0.000 2.389 269 I HA 0.338 4.508 4.170 -0.000 0.000 0.288 269 I C -0.723 175.409 176.117 0.025 0.000 0.999 269 I CA -0.743 60.490 61.300 -0.112 0.000 1.129 269 I CB 0.501 38.344 38.000 -0.261 0.000 1.288 269 I HN 0.396 nan 8.210 nan 0.000 0.444 270 L N 4.156 125.424 121.223 0.076 0.000 2.415 270 L HA 0.676 5.016 4.340 -0.000 0.000 0.256 270 L C -0.419 176.449 176.870 -0.003 0.000 1.010 270 L CA -0.940 53.968 54.840 0.113 0.000 0.826 270 L CB 0.849 43.064 42.059 0.260 0.000 1.405 270 L HN 0.470 nan 8.230 nan 0.000 0.410 271 D N -0.622 119.768 120.400 -0.016 0.000 2.398 271 D HA 0.206 4.846 4.640 -0.000 0.000 0.247 271 D C 1.125 177.188 176.300 -0.396 0.000 1.227 271 D CA 0.042 53.955 54.000 -0.144 0.000 0.980 271 D CB 0.500 41.310 40.800 0.017 0.000 1.106 271 D HN 0.718 nan 8.370 nan 0.000 0.493 272 S N -1.347 114.015 115.700 -0.563 0.000 2.493 272 S HA -0.211 4.259 4.470 -0.000 0.000 0.243 272 S C 1.033 175.128 174.600 -0.841 0.000 0.991 272 S CA 0.569 58.278 58.200 -0.819 0.000 0.957 272 S CB -0.866 61.919 63.200 -0.691 0.000 0.756 272 S HN 0.553 nan 8.310 nan 0.000 0.521 273 Y N 0.021 120.132 120.300 -0.315 0.000 2.571 273 Y HA 0.362 4.912 4.550 -0.000 0.000 0.275 273 Y C -0.219 175.691 175.900 0.018 0.000 1.179 273 Y CA -1.139 56.865 58.100 -0.160 0.000 1.242 273 Y CB -0.717 37.750 38.460 0.011 0.000 1.126 273 Y HN 0.133 nan 8.280 nan 0.000 0.524 274 Y N -1.216 119.249 120.300 0.273 0.000 4.177 274 Y HA -0.319 4.231 4.550 -0.000 0.000 0.227 274 Y C 0.094 176.180 175.900 0.310 0.000 1.154 274 Y CA -0.325 57.955 58.100 0.300 0.000 1.887 274 Y CB -2.690 35.891 38.460 0.201 0.000 1.594 274 Y HN 0.318 nan 8.280 nan 0.000 0.668 275 Q N 0.559 120.556 119.800 0.328 0.000 2.267 275 Q HA 0.348 4.688 4.340 -0.000 0.000 0.255 275 Q C 0.413 176.526 176.000 0.189 0.000 0.923 275 Q CA -0.827 55.119 55.803 0.239 0.000 0.925 275 Q CB 0.950 29.790 28.738 0.169 0.000 1.195 275 Q HN 0.220 nan 8.270 nan 0.000 0.417 276 R N 2.126 122.725 120.500 0.164 0.000 2.446 276 R HA -0.044 4.296 4.340 -0.000 0.000 0.314 276 R C 0.418 176.765 176.300 0.080 0.000 1.003 276 R CA -0.083 56.094 56.100 0.129 0.000 1.018 276 R CB 0.431 30.794 30.300 0.105 0.000 0.945 276 R HN 0.507 nan 8.270 nan 0.000 0.419 277 L N 2.034 123.302 121.223 0.074 0.000 2.269 277 L HA 0.142 4.482 4.340 -0.000 0.000 0.200 277 L C 0.585 177.490 176.870 0.058 0.000 1.069 277 L CA 1.370 56.245 54.840 0.058 0.000 0.804 277 L CB -0.214 41.882 42.059 0.062 0.000 0.987 277 L HN 0.558 nan 8.230 nan 0.000 0.468 278 H N -0.860 118.178 119.070 -0.052 0.000 3.079 278 H HA 0.391 4.947 4.556 -0.000 0.000 0.356 278 H C -1.204 174.057 175.328 -0.113 0.000 1.221 278 H CA -0.689 55.309 56.048 -0.083 0.000 1.185 278 H CB 2.039 31.731 29.762 -0.117 0.000 1.882 278 H HN -0.043 nan 8.280 nan 0.000 0.543 279 R N 4.313 124.728 120.500 -0.142 0.000 2.480 279 R HA 0.346 4.686 4.340 -0.000 0.000 0.306 279 R C -1.404 174.893 176.300 -0.006 0.000 0.958 279 R CA -0.886 55.157 56.100 -0.096 0.000 0.861 279 R CB 0.784 30.947 30.300 -0.229 0.000 1.171 279 R HN 0.215 nan 8.270 nan 0.000 0.445 280 L N 5.303 126.501 121.223 -0.041 0.000 2.262 280 L HA 0.456 4.796 4.340 -0.000 0.000 0.288 280 L C 0.430 177.273 176.870 -0.045 0.000 1.035 280 L CA -0.200 54.616 54.840 -0.040 0.000 0.820 280 L CB 1.130 43.056 42.059 -0.221 0.000 1.204 280 L HN 0.536 nan 8.230 nan 0.000 0.424 281 R N 1.475 121.904 120.500 -0.119 0.000 2.560 281 R HA 0.710 5.050 4.340 -0.000 0.000 0.270 281 R C 0.066 175.956 176.300 -0.682 0.000 1.074 281 R CA -0.579 55.396 56.100 -0.208 0.000 1.140 281 R CB 0.877 31.148 30.300 -0.050 0.000 1.073 281 R HN 0.721 nan 8.270 nan 0.000 0.527 282 A N 0.961 123.349 122.820 -0.720 0.000 2.272 282 A HA 0.111 4.431 4.320 -0.000 0.000 0.275 282 A C 0.737 178.088 177.584 -0.388 0.000 1.096 282 A CA -0.444 50.962 52.037 -1.051 0.000 0.822 282 A CB 0.366 19.077 19.000 -0.481 0.000 1.088 282 A HN 0.953 nan 8.150 nan 0.000 0.495 283 E N -1.006 119.087 120.200 -0.178 0.000 2.473 283 E HA 0.145 4.495 4.350 -0.000 0.000 0.204 283 E C 0.329 177.023 176.600 0.156 0.000 0.994 283 E CA 0.096 56.528 56.400 0.054 0.000 0.945 283 E CB 0.271 30.067 29.700 0.161 0.000 0.990 283 E HN 0.610 nan 8.360 nan 0.000 0.493 284 Q N 1.072 120.991 119.800 0.199 0.000 2.284 284 Q HA 0.323 4.663 4.340 -0.000 0.000 0.269 284 Q C -1.174 174.927 176.000 0.169 0.000 1.026 284 Q CA -0.631 55.295 55.803 0.204 0.000 0.831 284 Q CB 1.867 30.779 28.738 0.290 0.000 1.322 284 Q HN 0.079 nan 8.270 nan 0.000 0.419 285 M N 2.651 122.323 119.600 0.119 0.000 2.249 285 M HA 0.179 4.659 4.480 -0.000 0.000 0.340 285 M C 0.970 177.357 176.300 0.144 0.000 1.166 285 M CA 1.477 56.848 55.300 0.118 0.000 1.115 285 M CB 0.536 33.188 32.600 0.088 0.000 1.606 285 M HN 1.038 nan 8.290 nan 0.000 0.448 286 A N 0.753 123.677 122.820 0.173 0.000 3.396 286 A HA -0.226 4.094 4.320 -0.000 0.000 0.267 286 A C 1.612 179.371 177.584 0.292 0.000 1.139 286 A CA 1.447 53.620 52.037 0.228 0.000 1.115 286 A CB -2.531 16.571 19.000 0.170 0.000 1.133 286 A HN 1.039 nan 8.150 nan 0.000 0.920 287 S N -2.559 113.317 115.700 0.293 0.000 2.447 287 S HA 0.029 4.499 4.470 -0.000 0.000 0.233 287 S C 0.796 175.660 174.600 0.439 0.000 1.006 287 S CA 1.561 59.982 58.200 0.368 0.000 0.957 287 S CB -0.366 63.121 63.200 0.478 0.000 0.773 287 S HN 1.774 nan 8.310 nan 0.000 0.507 288 Y N -0.638 119.791 120.300 0.214 0.000 3.755 288 Y HA -0.169 4.381 4.550 -0.000 0.000 0.230 288 Y C -0.041 175.982 175.900 0.205 0.000 1.363 288 Y CA -0.154 58.048 58.100 0.169 0.000 1.814 288 Y CB -2.391 36.128 38.460 0.099 0.000 1.574 288 Y HN 0.528 nan 8.280 nan 0.000 0.650 289 F N 1.300 121.284 119.950 0.056 0.000 2.578 289 F HA 0.393 4.920 4.527 -0.000 0.000 0.381 289 F C 1.311 177.072 175.800 -0.066 0.000 1.069 289 F CA 1.829 59.823 58.000 -0.009 0.000 1.231 289 F CB 0.613 39.567 39.000 -0.076 0.000 1.086 289 F HN 0.423 nan 8.300 nan 0.000 0.564 290 G N 4.251 112.779 108.800 -0.454 0.000 2.159 290 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.227 290 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.227 290 G C 1.250 176.084 174.900 -0.110 0.000 0.986 290 G CA 0.275 45.174 45.100 -0.334 0.000 0.651 290 G HN 0.893 nan 8.290 nan 0.000 0.523 291 H N 0.636 119.644 119.070 -0.105 0.000 2.423 291 H HA 0.212 4.768 4.556 -0.000 0.000 0.297 291 H C 0.338 175.718 175.328 0.088 0.000 1.075 291 H CA 1.978 58.053 56.048 0.044 0.000 1.342 291 H CB 0.300 30.186 29.762 0.206 0.000 1.395 291 H HN 0.366 nan 8.280 nan 0.000 0.530 292 S N 0.422 116.191 115.700 0.114 0.000 2.548 292 S HA 0.463 4.933 4.470 -0.000 0.000 0.276 292 S C -0.952 173.606 174.600 -0.069 0.000 1.129 292 S CA -0.486 57.727 58.200 0.021 0.000 0.931 292 S CB 2.671 65.923 63.200 0.086 0.000 1.068 292 S HN 0.294 nan 8.310 nan 0.000 0.480 293 V N -0.403 119.461 119.914 -0.083 0.000 2.686 293 V HA 1.052 5.172 4.120 -0.000 0.000 0.306 293 V C -0.529 175.530 176.094 -0.059 0.000 1.065 293 V CA -0.866 61.374 62.300 -0.100 0.000 0.894 293 V CB 1.090 32.829 31.823 -0.140 0.000 1.004 293 V HN 1.100 nan 8.190 nan 0.000 0.424 294 A N 3.606 126.408 122.820 -0.031 0.000 2.435 294 A HA 0.968 5.288 4.320 -0.000 0.000 0.304 294 A C -0.996 176.607 177.584 0.032 0.000 1.064 294 A CA -0.764 51.272 52.037 -0.001 0.000 0.727 294 A CB 2.245 21.250 19.000 0.008 0.000 1.284 294 A HN 1.475 nan 8.150 nan 0.000 0.415 295 V N 0.801 120.735 119.914 0.033 0.000 2.604 295 V HA 0.923 5.043 4.120 -0.000 0.000 0.305 295 V C 0.064 176.191 176.094 0.055 0.000 1.043 295 V CA -0.107 62.219 62.300 0.043 0.000 0.888 295 V CB 1.615 33.403 31.823 -0.058 0.000 0.995 295 V HN 1.254 nan 8.190 nan 0.000 0.429 296 T N 1.901 116.547 114.554 0.153 0.000 2.983 296 T HA 0.186 4.536 4.350 -0.000 0.000 0.357 296 T C -2.223 172.621 174.700 0.240 0.000 1.830 296 T CA -0.623 61.614 62.100 0.227 0.000 1.080 296 T CB 1.586 70.543 68.868 0.148 0.000 1.675 296 T HN 0.817 nan 8.240 nan 0.000 0.497 297 D N 2.560 123.079 120.400 0.199 0.000 2.411 297 D HA 0.364 5.004 4.640 -0.000 0.000 0.225 297 D C 1.628 178.005 176.300 0.129 0.000 1.156 297 D CA -0.062 54.013 54.000 0.125 0.000 0.874 297 D CB 0.880 41.697 40.800 0.029 0.000 1.034 297 D HN 0.440 nan 8.370 nan 0.000 0.502 298 V N 2.030 122.025 119.914 0.135 0.000 2.725 298 V HA 0.016 4.136 4.120 -0.000 0.000 0.247 298 V C 1.413 177.601 176.094 0.157 0.000 1.058 298 V CA 0.858 63.239 62.300 0.135 0.000 1.080 298 V CB -0.639 31.244 31.823 0.100 0.000 0.713 298 V HN 0.517 nan 8.190 nan 0.000 0.465 299 N N 1.262 120.049 118.700 0.145 0.000 2.314 299 N HA 0.200 4.940 4.740 -0.000 0.000 0.200 299 N C 1.504 177.223 175.510 0.348 0.000 1.135 299 N CA 0.571 53.717 53.050 0.159 0.000 0.835 299 N CB 0.101 38.637 38.487 0.082 0.000 0.989 299 N HN 0.818 nan 8.380 nan 0.000 0.478 300 G N 1.631 110.620 108.800 0.314 0.000 2.186 300 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.266 300 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.266 300 G C 0.532 175.478 174.900 0.077 0.000 0.982 300 G CA 0.748 45.946 45.100 0.164 0.000 0.670 300 G HN 0.643 nan 8.290 nan 0.000 0.533 301 D N -0.188 120.262 120.400 0.085 0.000 2.363 301 D HA 0.283 4.923 4.640 -0.000 0.000 0.220 301 D C 1.953 178.248 176.300 -0.009 0.000 0.994 301 D CA 1.060 55.084 54.000 0.040 0.000 0.890 301 D CB -0.728 40.102 40.800 0.049 0.000 0.906 301 D HN 1.600 nan 8.370 nan 0.000 0.530 302 G N 0.065 108.846 108.800 -0.031 0.000 2.253 302 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.251 302 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.251 302 G C 0.330 175.148 174.900 -0.135 0.000 0.998 302 G CA -0.100 44.949 45.100 -0.085 0.000 0.621 302 G HN 0.354 nan 8.290 nan 0.000 0.524 303 R N 0.806 121.255 120.500 -0.085 0.000 2.410 303 R HA 0.389 4.729 4.340 -0.000 0.000 0.288 303 R C -0.008 176.247 176.300 -0.075 0.000 1.051 303 R CA -0.700 55.346 56.100 -0.090 0.000 1.021 303 R CB 0.339 30.634 30.300 -0.008 0.000 1.032 303 R HN 0.359 nan 8.270 nan 0.000 0.481 304 H N 1.631 120.611 119.070 -0.149 0.000 2.848 304 H HA 0.089 4.645 4.556 -0.000 0.000 0.341 304 H C -0.228 175.104 175.328 0.006 0.000 1.060 304 H CA 0.614 56.557 56.048 -0.174 0.000 1.444 304 H CB 0.606 30.054 29.762 -0.523 0.000 1.446 304 H HN 0.383 nan 8.280 nan 0.000 0.583 305 D N 2.383 122.952 120.400 0.282 0.000 2.299 305 D HA 0.187 4.827 4.640 -0.000 0.000 0.243 305 D C -0.168 176.324 176.300 0.321 0.000 0.982 305 D CA -0.710 53.467 54.000 0.296 0.000 0.924 305 D CB 2.644 43.567 40.800 0.204 0.000 1.238 305 D HN 0.169 nan 8.370 nan 0.000 0.484 306 L N 1.038 122.448 121.223 0.311 0.000 2.325 306 L HA 0.526 4.866 4.340 -0.000 0.000 0.278 306 L C -1.394 175.612 176.870 0.226 0.000 1.023 306 L CA -0.500 54.475 54.840 0.225 0.000 0.811 306 L CB 1.269 43.382 42.059 0.090 0.000 1.249 306 L HN 0.281 nan 8.230 nan 0.000 0.431 307 L N 5.246 126.550 121.223 0.136 0.000 2.406 307 L HA 0.648 4.988 4.340 -0.000 0.000 0.272 307 L C -1.186 175.708 176.870 0.039 0.000 0.980 307 L CA -0.696 54.214 54.840 0.117 0.000 0.831 307 L CB 2.106 44.200 42.059 0.058 0.000 1.253 307 L HN 0.287 nan 8.230 nan 0.000 0.406 308 V N 1.403 121.355 119.914 0.064 0.000 2.555 308 V HA 0.741 4.861 4.120 -0.000 0.000 0.302 308 V C 0.363 176.432 176.094 -0.041 0.000 1.038 308 V CA -0.582 61.630 62.300 -0.147 0.000 0.887 308 V CB 1.886 33.394 31.823 -0.525 0.000 0.991 308 V HN 0.817 nan 8.190 nan 0.000 0.434 309 G N 2.087 110.838 108.800 -0.081 0.000 2.372 309 G HA2 0.642 4.602 3.960 -0.000 0.000 0.323 309 G HA3 0.642 4.602 3.960 -0.000 0.000 0.323 309 G C -0.367 174.590 174.900 0.095 0.000 1.152 309 G CA -0.288 44.836 45.100 0.041 0.000 0.906 309 G HN 1.157 nan 8.290 nan 0.000 0.460 310 A N 4.537 127.504 122.820 0.245 0.000 3.105 310 A HA 0.638 4.958 4.320 -0.000 0.000 0.336 310 A C -1.115 176.660 177.584 0.318 0.000 1.042 310 A CA -1.222 51.019 52.037 0.341 0.000 0.851 310 A CB 1.169 20.496 19.000 0.544 0.000 1.068 310 A HN 0.461 nan 8.150 nan 0.000 0.477 311 P HA -0.146 nan 4.420 nan 0.000 0.220 311 P C 0.555 177.980 177.300 0.208 0.000 1.144 311 P CA 0.962 64.145 63.100 0.138 0.000 0.800 311 P CB 0.285 31.928 31.700 -0.095 0.000 0.772 312 L N -2.055 119.311 121.223 0.238 0.000 2.818 312 L HA 0.249 4.589 4.340 -0.000 0.000 0.243 312 L C 0.456 177.486 176.870 0.267 0.000 1.185 312 L CA -1.369 53.607 54.840 0.228 0.000 0.988 312 L CB -1.851 40.316 42.059 0.180 0.000 1.292 312 L HN -0.072 nan 8.230 nan 0.000 0.519 313 Y N 1.224 121.653 120.300 0.214 0.000 2.544 313 Y HA 0.181 4.731 4.550 -0.000 0.000 0.330 313 Y C 0.468 176.458 175.900 0.150 0.000 1.136 313 Y CA 0.031 58.253 58.100 0.203 0.000 1.417 313 Y CB 0.383 38.990 38.460 0.243 0.000 1.229 313 Y HN 0.082 nan 8.280 nan 0.000 0.532 314 M N 6.537 125.799 119.600 -0.563 0.000 2.108 314 M HA 0.173 4.652 4.480 -0.000 0.000 0.354 314 M C -0.143 175.738 176.300 -0.698 0.000 1.229 314 M CA -0.064 54.976 55.300 -0.434 0.000 1.081 314 M CB 0.870 33.330 32.600 -0.233 0.000 1.606 314 M HN 0.685 nan 8.290 nan 0.000 0.467 315 E N 1.672 121.708 120.200 -0.273 0.000 2.313 315 E HA 0.210 4.560 4.350 -0.000 0.000 0.272 315 E C -0.781 175.783 176.600 -0.060 0.000 1.038 315 E CA -0.328 56.030 56.400 -0.070 0.000 0.863 315 E CB 1.116 30.854 29.700 0.062 0.000 1.060 315 E HN 0.527 nan 8.360 nan 0.000 0.402 316 S N 3.066 118.764 115.700 -0.004 0.000 2.701 316 S HA 0.197 4.667 4.470 -0.000 0.000 0.317 316 S C -0.188 174.410 174.600 -0.003 0.000 1.149 316 S CA -0.425 57.771 58.200 -0.006 0.000 1.052 316 S CB 0.009 63.218 63.200 0.015 0.000 1.257 316 S HN 0.344 nan 8.310 nan 0.000 0.532 317 R N 1.933 122.423 120.500 -0.016 0.000 2.577 317 R HA 0.585 4.925 4.340 -0.000 0.000 0.269 317 R C 0.495 176.788 176.300 -0.012 0.000 1.084 317 R CA -0.270 55.821 56.100 -0.015 0.000 1.163 317 R CB 0.235 30.520 30.300 -0.025 0.000 1.100 317 R HN 0.601 nan 8.270 nan 0.000 0.547 318 A N 1.023 123.837 122.820 -0.010 0.000 2.445 318 A HA 0.234 4.554 4.320 -0.000 0.000 0.242 318 A C -0.044 177.535 177.584 -0.009 0.000 1.075 318 A CA 0.722 52.754 52.037 -0.008 0.000 0.777 318 A CB -0.187 18.808 19.000 -0.007 0.000 1.013 318 A HN 0.855 nan 8.150 nan 0.000 0.493 319 D N -0.620 119.776 120.400 -0.007 0.000 3.062 319 D HA -0.136 4.504 4.640 -0.000 0.000 0.216 319 D C 0.407 176.702 176.300 -0.007 0.000 1.097 319 D CA 0.938 54.935 54.000 -0.006 0.000 0.858 319 D CB -0.740 40.056 40.800 -0.007 0.000 1.092 319 D HN 0.725 nan 8.370 nan 0.000 0.438 320 R N -2.230 118.266 120.500 -0.006 0.000 3.875 320 R HA -0.228 4.112 4.340 -0.000 0.000 0.321 320 R C 0.176 176.471 176.300 -0.010 0.000 1.196 320 R CA 1.843 57.939 56.100 -0.007 0.000 0.868 320 R CB -2.338 27.959 30.300 -0.005 0.000 1.333 320 R HN 0.756 nan 8.270 nan 0.000 0.522 321 K N -0.249 120.143 120.400 -0.013 0.000 2.238 321 K HA 0.758 5.078 4.320 -0.000 0.000 0.239 321 K C -0.157 176.427 176.600 -0.027 0.000 0.987 321 K CA -0.960 55.317 56.287 -0.018 0.000 0.857 321 K CB 1.643 34.133 32.500 -0.018 0.000 1.154 321 K HN -0.008 nan 8.250 nan 0.000 0.439 322 L N 0.365 121.568 121.223 -0.033 0.000 2.341 322 L HA 0.761 5.101 4.340 -0.000 0.000 0.267 322 L C -1.046 175.790 176.870 -0.057 0.000 1.009 322 L CA -1.209 53.599 54.840 -0.053 0.000 0.819 322 L CB 2.335 44.357 42.059 -0.063 0.000 1.323 322 L HN 0.962 nan 8.230 nan 0.000 0.425 323 A N 1.147 123.922 122.820 -0.074 0.000 2.402 323 A HA 0.379 4.699 4.320 -0.000 0.000 0.291 323 A C -0.852 176.692 177.584 -0.066 0.000 1.051 323 A CA -0.497 51.491 52.037 -0.082 0.000 0.716 323 A CB 1.379 20.323 19.000 -0.092 0.000 1.223 323 A HN 0.728 nan 8.150 nan 0.000 0.425 324 E N 2.004 122.183 120.200 -0.036 0.000 2.220 324 E HA 0.297 4.647 4.350 -0.000 0.000 0.272 324 E C 0.449 177.091 176.600 0.069 0.000 1.099 324 E CA 0.377 56.811 56.400 0.058 0.000 0.907 324 E CB 0.473 30.293 29.700 0.199 0.000 1.022 324 E HN 0.800 nan 8.360 nan 0.000 0.428 325 V N 1.261 121.250 119.914 0.125 0.000 3.368 325 V HA 0.468 4.588 4.120 -0.000 0.000 0.255 325 V C 0.642 176.889 176.094 0.255 0.000 1.466 325 V CA 0.318 62.705 62.300 0.145 0.000 1.095 325 V CB -0.031 31.833 31.823 0.069 0.000 0.899 325 V HN 0.837 nan 8.190 nan 0.000 0.440 326 G N 0.818 109.820 108.800 0.337 0.000 2.663 326 G HA2 0.151 4.111 3.960 -0.000 0.000 0.686 326 G HA3 0.151 4.111 3.960 -0.000 0.000 0.686 326 G C -0.742 174.448 174.900 0.484 0.000 1.246 326 G CA -0.163 45.199 45.100 0.435 0.000 0.795 326 G HN 0.973 nan 8.290 nan 0.000 0.627 327 R N -0.788 119.991 120.500 0.466 0.000 2.629 327 R HA 0.693 5.033 4.340 -0.000 0.000 0.266 327 R C -1.516 174.953 176.300 0.281 0.000 1.051 327 R CA -0.812 55.465 56.100 0.294 0.000 0.895 327 R CB 2.022 32.223 30.300 -0.165 0.000 1.246 327 R HN 0.944 nan 8.270 nan 0.000 0.459 328 V N 3.657 123.674 119.914 0.173 0.000 2.604 328 V HA 0.532 4.652 4.120 -0.000 0.000 0.305 328 V C -1.301 174.806 176.094 0.022 0.000 1.043 328 V CA -0.660 61.720 62.300 0.133 0.000 0.888 328 V CB 1.664 33.479 31.823 -0.013 0.000 0.995 328 V HN 0.607 nan 8.190 nan 0.000 0.429 329 Y N 4.307 124.627 120.300 0.034 0.000 2.409 329 Y HA 0.756 5.306 4.550 -0.000 0.000 0.339 329 Y C -0.242 175.649 175.900 -0.015 0.000 1.033 329 Y CA -1.384 56.714 58.100 -0.004 0.000 1.094 329 Y CB 1.775 40.358 38.460 0.205 0.000 1.210 329 Y HN 0.503 nan 8.280 nan 0.000 0.456 330 L N 3.917 125.110 121.223 -0.049 0.000 2.343 330 L HA 0.650 4.990 4.340 -0.000 0.000 0.278 330 L C -2.088 174.700 176.870 -0.137 0.000 0.996 330 L CA -0.851 53.989 54.840 -0.001 0.000 0.831 330 L CB 0.281 42.313 42.059 -0.045 0.000 1.232 330 L HN 0.366 nan 8.230 nan 0.000 0.413 331 F N 5.699 125.695 119.950 0.077 0.000 2.402 331 F HA 0.529 5.056 4.527 -0.000 0.000 0.355 331 F C -0.102 175.745 175.800 0.080 0.000 1.123 331 F CA -0.558 57.480 58.000 0.064 0.000 1.021 331 F CB 1.300 40.318 39.000 0.029 0.000 1.160 331 F HN 0.278 nan 8.300 nan 0.000 0.451 332 L N 3.202 124.541 121.223 0.193 0.000 2.350 332 L HA 0.390 4.730 4.340 -0.000 0.000 0.275 332 L C 0.068 177.051 176.870 0.188 0.000 1.099 332 L CA -0.611 54.329 54.840 0.166 0.000 0.808 332 L CB 1.316 43.435 42.059 0.100 0.000 1.149 332 L HN 0.588 nan 8.230 nan 0.000 0.442 333 Q N 3.505 123.425 119.800 0.200 0.000 2.257 333 Q HA 0.357 4.697 4.340 -0.000 0.000 0.255 333 Q C -2.295 173.799 176.000 0.156 0.000 0.920 333 Q CA -1.650 54.281 55.803 0.214 0.000 0.927 333 Q CB 2.029 30.928 28.738 0.270 0.000 1.229 333 Q HN 0.293 nan 8.270 nan 0.000 0.433 334 P HA 0.102 nan 4.420 nan 0.000 0.317 334 P C -0.062 177.300 177.300 0.103 0.000 1.316 334 P CA -0.053 63.127 63.100 0.134 0.000 0.744 334 P CB 0.680 32.476 31.700 0.159 0.000 1.521 335 R N -1.314 119.236 120.500 0.084 0.000 2.271 335 R HA 0.287 4.627 4.340 -0.000 0.000 0.117 335 R C 1.969 178.289 176.300 0.034 0.000 1.644 335 R CA 0.446 56.562 56.100 0.027 0.000 1.414 335 R CB -1.370 28.940 30.300 0.017 0.000 1.196 335 R HN 0.509 nan 8.270 nan 0.000 0.447 336 G N 3.161 111.985 108.800 0.041 0.000 2.940 336 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.215 336 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.215 336 G C -1.243 173.735 174.900 0.130 0.000 1.322 336 G CA 0.889 46.022 45.100 0.054 0.000 0.781 336 G HN 0.279 nan 8.290 nan 0.000 0.728 337 P HA 0.188 nan 4.420 nan 0.000 0.249 337 P C -0.317 177.106 177.300 0.206 0.000 1.593 337 P CA -0.249 62.953 63.100 0.169 0.000 0.896 337 P CB -1.030 30.731 31.700 0.103 0.000 1.581 338 H N -0.358 118.751 119.070 0.065 0.000 3.177 338 H HA 0.209 4.765 4.556 -0.000 0.000 0.313 338 H C -0.151 175.234 175.328 0.095 0.000 0.983 338 H CA -0.447 55.649 56.048 0.080 0.000 1.358 338 H CB 0.200 30.012 29.762 0.084 0.000 1.294 338 H HN 0.147 nan 8.280 nan 0.000 0.587 339 A N 3.918 126.749 122.820 0.018 0.000 1.819 339 A HA 0.262 4.582 4.320 -0.000 0.000 0.279 339 A C -0.948 176.643 177.584 0.012 0.000 1.037 339 A CA -1.002 51.031 52.037 -0.008 0.000 0.917 339 A CB -0.253 18.776 19.000 0.049 0.000 1.193 339 A HN 0.562 nan 8.150 nan 0.000 0.343 340 L N 1.768 122.919 121.223 -0.120 0.000 2.653 340 L HA 0.273 4.613 4.340 -0.000 0.000 0.288 340 L C 1.445 178.248 176.870 -0.111 0.000 1.243 340 L CA 2.216 56.960 54.840 -0.160 0.000 0.906 340 L CB -0.018 41.831 42.059 -0.349 0.000 1.154 340 L HN 0.884 nan 8.230 nan 0.000 0.498 341 G N 1.664 110.519 108.800 0.091 0.000 3.410 341 G HA2 0.677 4.637 3.960 -0.000 0.000 0.189 341 G HA3 0.677 4.637 3.960 -0.000 0.000 0.189 341 G C -0.452 174.595 174.900 0.245 0.000 1.404 341 G CA 0.081 45.277 45.100 0.160 0.000 0.898 341 G HN 0.875 nan 8.290 nan 0.000 0.650 342 A N 0.875 123.794 122.820 0.166 0.000 2.304 342 A HA 0.669 4.989 4.320 -0.000 0.000 0.271 342 A C -1.877 175.685 177.584 -0.036 0.000 1.091 342 A CA -0.929 51.184 52.037 0.126 0.000 0.812 342 A CB -0.105 18.934 19.000 0.066 0.000 1.056 342 A HN 0.429 nan 8.150 nan 0.000 0.489 343 P HA 0.051 nan 4.420 nan 0.000 0.267 343 P C 0.125 177.244 177.300 -0.301 0.000 1.201 343 P CA 0.184 62.882 63.100 -0.669 0.000 0.775 343 P CB 0.649 32.041 31.700 -0.513 0.000 0.854 344 S N -0.047 115.489 115.700 -0.274 0.000 2.539 344 S HA 0.267 4.737 4.470 -0.000 0.000 0.221 344 S C 0.339 174.865 174.600 -0.123 0.000 0.987 344 S CA -0.041 58.080 58.200 -0.132 0.000 0.929 344 S CB -0.270 62.888 63.200 -0.069 0.000 0.832 344 S HN 0.471 nan 8.310 nan 0.000 0.492 345 L N 0.502 121.623 121.223 -0.170 0.000 2.700 345 L HA 0.470 4.810 4.340 -0.000 0.000 0.255 345 L C -2.570 174.175 176.870 -0.208 0.000 0.933 345 L CA -0.492 54.257 54.840 -0.151 0.000 0.920 345 L CB 1.076 43.064 42.059 -0.118 0.000 1.472 345 L HN -0.067 nan 8.230 nan 0.000 0.426 346 L N 5.284 126.381 121.223 -0.210 0.000 2.366 346 L HA 0.539 4.879 4.340 -0.000 0.000 0.266 346 L C -0.778 175.961 176.870 -0.217 0.000 1.010 346 L CA 0.014 54.678 54.840 -0.294 0.000 0.879 346 L CB 1.351 43.199 42.059 -0.351 0.000 1.228 346 L HN 0.468 nan 8.230 nan 0.000 0.439 347 L N 2.308 123.421 121.223 -0.183 0.000 2.313 347 L HA 0.503 4.843 4.340 -0.000 0.000 0.282 347 L C 0.650 177.515 176.870 -0.009 0.000 1.092 347 L CA 0.003 54.786 54.840 -0.095 0.000 0.831 347 L CB 1.044 43.014 42.059 -0.149 0.000 1.159 347 L HN 0.561 nan 8.230 nan 0.000 0.442 348 T N 1.855 116.306 114.554 -0.172 0.000 2.887 348 T HA 0.621 4.971 4.350 -0.000 0.000 0.288 348 T C 0.358 174.704 174.700 -0.589 0.000 1.021 348 T CA -0.382 61.574 62.100 -0.239 0.000 1.000 348 T CB 1.645 70.454 68.868 -0.099 0.000 1.034 348 T HN 0.654 nan 8.240 nan 0.000 0.467 349 G N 1.303 109.716 108.800 -0.646 0.000 2.699 349 G HA2 0.399 4.359 3.960 -0.000 0.000 0.246 349 G HA3 0.399 4.359 3.960 -0.000 0.000 0.246 349 G C 1.027 175.778 174.900 -0.247 0.000 1.219 349 G CA 0.280 45.010 45.100 -0.618 0.000 0.866 349 G HN 1.081 nan 8.290 nan 0.000 0.572 350 T N -2.922 111.539 114.554 -0.156 0.000 3.098 350 T HA 0.159 4.509 4.350 -0.000 0.000 0.246 350 T C 1.001 175.683 174.700 -0.029 0.000 0.983 350 T CA 0.185 62.240 62.100 -0.075 0.000 1.094 350 T CB -0.119 68.711 68.868 -0.062 0.000 1.035 350 T HN 0.455 nan 8.240 nan 0.000 0.456 351 Q N 1.635 121.440 119.800 0.008 0.000 2.314 351 Q HA 0.482 4.822 4.340 -0.000 0.000 0.258 351 Q C -0.582 175.427 176.000 0.015 0.000 0.954 351 Q CA -0.665 55.154 55.803 0.026 0.000 0.890 351 Q CB 0.740 29.524 28.738 0.076 0.000 1.210 351 Q HN 0.497 nan 8.270 nan 0.000 0.410 352 L N 5.474 126.658 121.223 -0.065 0.000 2.455 352 L HA 0.060 4.400 4.340 -0.000 0.000 0.272 352 L C -0.692 176.112 176.870 -0.110 0.000 1.174 352 L CA 0.748 55.452 54.840 -0.227 0.000 0.869 352 L CB -0.214 41.580 42.059 -0.442 0.000 1.130 352 L HN 0.809 nan 8.230 nan 0.000 0.474 353 Y N 1.741 122.093 120.300 0.086 0.000 4.490 353 Y HA -0.229 4.321 4.550 -0.000 0.000 0.233 353 Y C 1.654 177.659 175.900 0.175 0.000 1.101 353 Y CA 0.813 58.971 58.100 0.095 0.000 2.010 353 Y CB -2.301 36.186 38.460 0.045 0.000 1.622 353 Y HN 0.697 nan 8.280 nan 0.000 0.675 354 G N -0.364 108.621 108.800 0.309 0.000 2.484 354 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.218 354 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.218 354 G C 0.960 176.081 174.900 0.370 0.000 1.130 354 G CA 0.505 45.805 45.100 0.333 0.000 0.784 354 G HN 0.427 nan 8.290 nan 0.000 0.543 355 R N -1.845 118.860 120.500 0.342 0.000 3.423 355 R HA -0.187 4.153 4.340 -0.000 0.000 0.271 355 R C -0.198 176.268 176.300 0.277 0.000 1.093 355 R CA 0.167 56.444 56.100 0.295 0.000 0.730 355 R CB -2.426 28.068 30.300 0.322 0.000 1.190 355 R HN 0.369 nan 8.270 nan 0.000 0.437 356 F N 0.651 120.696 119.950 0.158 0.000 2.543 356 F HA 0.328 4.855 4.527 -0.000 0.000 0.375 356 F C 1.534 177.407 175.800 0.121 0.000 1.075 356 F CA 1.567 59.651 58.000 0.140 0.000 1.225 356 F CB 0.743 39.829 39.000 0.143 0.000 1.099 356 F HN 0.336 nan 8.300 nan 0.000 0.561 357 G N 3.257 111.832 108.800 -0.376 0.000 2.148 357 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.203 357 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.203 357 G C 0.953 175.804 174.900 -0.080 0.000 0.993 357 G CA 0.315 45.259 45.100 -0.260 0.000 0.661 357 G HN 0.892 nan 8.290 nan 0.000 0.518 358 S N -0.520 115.138 115.700 -0.070 0.000 2.522 358 S HA 0.611 5.081 4.470 -0.000 0.000 0.227 358 S C 0.988 175.597 174.600 0.014 0.000 0.986 358 S CA 1.698 59.874 58.200 -0.039 0.000 0.929 358 S CB -0.124 63.075 63.200 -0.002 0.000 0.769 358 S HN 2.019 nan 8.310 nan 0.000 0.529 359 A N 0.546 123.324 122.820 -0.070 0.000 2.530 359 A HA 0.616 4.936 4.320 -0.000 0.000 0.297 359 A C -1.360 176.164 177.584 -0.100 0.000 1.059 359 A CA -0.650 51.323 52.037 -0.107 0.000 0.782 359 A CB 0.780 19.677 19.000 -0.171 0.000 1.301 359 A HN 0.316 nan 8.150 nan 0.000 0.394 360 I N 2.017 122.542 120.570 -0.076 0.000 2.439 360 I HA 0.597 4.767 4.170 -0.000 0.000 0.283 360 I C 0.316 176.420 176.117 -0.022 0.000 1.023 360 I CA -0.512 60.756 61.300 -0.053 0.000 1.100 360 I CB 2.070 40.040 38.000 -0.051 0.000 1.238 360 I HN 0.783 nan 8.210 nan 0.000 0.445 361 A N 8.668 131.491 122.820 0.005 0.000 2.267 361 A HA 0.722 5.042 4.320 -0.000 0.000 0.315 361 A C -2.596 175.027 177.584 0.066 0.000 1.297 361 A CA -1.619 50.436 52.037 0.031 0.000 0.865 361 A CB 0.428 19.448 19.000 0.032 0.000 1.165 361 A HN 0.369 nan 8.150 nan 0.000 0.513 362 P HA 0.214 nan 4.420 nan 0.000 0.271 362 P C -0.414 176.946 177.300 0.101 0.000 1.226 362 P CA 0.365 63.518 63.100 0.088 0.000 0.765 362 P CB 0.696 32.448 31.700 0.086 0.000 0.835 363 L N 2.355 123.641 121.223 0.105 0.000 2.448 363 L HA 0.475 4.815 4.340 -0.000 0.000 0.258 363 L C 2.015 178.938 176.870 0.087 0.000 1.104 363 L CA -0.537 54.364 54.840 0.103 0.000 0.800 363 L CB 0.209 42.333 42.059 0.108 0.000 1.241 363 L HN 0.389 nan 8.230 nan 0.000 0.472 364 G N -0.720 108.121 108.800 0.069 0.000 2.751 364 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.187 364 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.187 364 G C -0.576 174.366 174.900 0.069 0.000 1.733 364 G CA 0.381 45.513 45.100 0.054 0.000 0.898 364 G HN 0.606 nan 8.290 nan 0.000 0.408 365 D N -0.271 120.169 120.400 0.067 0.000 2.358 365 D HA 0.313 4.953 4.640 -0.000 0.000 0.253 365 D C 1.482 177.847 176.300 0.110 0.000 1.288 365 D CA -0.338 53.711 54.000 0.082 0.000 0.950 365 D CB 1.168 41.999 40.800 0.051 0.000 1.197 365 D HN 0.081 nan 8.370 nan 0.000 0.550 366 L N 1.644 122.940 121.223 0.121 0.000 2.005 366 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 366 L C 1.724 178.696 176.870 0.171 0.000 1.072 366 L CA 1.198 56.121 54.840 0.140 0.000 0.744 366 L CB -0.053 42.061 42.059 0.090 0.000 0.895 366 L HN 0.403 nan 8.230 nan 0.000 0.433 367 D N -0.730 119.749 120.400 0.132 0.000 2.340 367 D HA -0.098 4.542 4.640 -0.000 0.000 0.220 367 D C 0.622 177.004 176.300 0.137 0.000 1.039 367 D CA -0.092 53.986 54.000 0.130 0.000 0.866 367 D CB -0.102 40.754 40.800 0.094 0.000 0.913 367 D HN 0.150 nan 8.370 nan 0.000 0.523 368 R N 0.654 121.228 120.500 0.123 0.000 3.932 368 R HA -0.171 4.169 4.340 -0.000 0.000 0.318 368 R C 0.234 176.555 176.300 0.034 0.000 1.219 368 R CA 1.294 57.430 56.100 0.060 0.000 0.889 368 R CB -2.563 27.766 30.300 0.047 0.000 1.309 368 R HN 0.524 nan 8.270 nan 0.000 0.537 369 D N 0.275 120.711 120.400 0.061 0.000 2.363 369 D HA 0.025 4.665 4.640 -0.000 0.000 0.226 369 D C 1.264 177.527 176.300 -0.060 0.000 1.020 369 D CA 0.994 55.024 54.000 0.049 0.000 0.892 369 D CB -0.105 40.776 40.800 0.134 0.000 0.900 369 D HN 0.507 nan 8.370 nan 0.000 0.531 370 G N -0.454 108.289 108.800 -0.095 0.000 2.157 370 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.248 370 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.248 370 G C -0.472 174.217 174.900 -0.351 0.000 0.979 370 G CA 0.119 45.072 45.100 -0.245 0.000 0.650 370 G HN 0.356 nan 8.290 nan 0.000 0.529 371 Y N 0.865 121.182 120.300 0.028 0.000 2.326 371 Y HA 0.471 5.021 4.550 -0.000 0.000 0.329 371 Y C 0.529 176.456 175.900 0.046 0.000 0.973 371 Y CA -1.404 56.718 58.100 0.035 0.000 1.162 371 Y CB 1.016 39.500 38.460 0.040 0.000 1.147 371 Y HN 0.198 nan 8.280 nan 0.000 0.456 372 N N 3.293 122.113 118.700 0.200 0.000 2.454 372 N HA 0.074 4.814 4.740 -0.000 0.000 0.254 372 N C -1.013 174.587 175.510 0.149 0.000 1.228 372 N CA 0.177 53.313 53.050 0.143 0.000 0.900 372 N CB 0.618 39.175 38.487 0.117 0.000 1.089 372 N HN 0.514 nan 8.380 nan 0.000 0.449 373 D N 1.091 121.570 120.400 0.132 0.000 2.392 373 D HA 0.548 5.188 4.640 -0.000 0.000 0.246 373 D C 0.095 176.476 176.300 0.136 0.000 1.013 373 D CA -0.381 53.702 54.000 0.138 0.000 0.993 373 D CB 1.782 42.659 40.800 0.128 0.000 1.219 373 D HN 0.408 nan 8.370 nan 0.000 0.538 374 I N -3.537 117.130 120.570 0.161 0.000 3.095 374 I HA 0.815 4.985 4.170 -0.000 0.000 0.310 374 I C -1.616 174.617 176.117 0.193 0.000 1.196 374 I CA -1.168 60.224 61.300 0.154 0.000 0.985 374 I CB 2.359 40.437 38.000 0.131 0.000 1.250 374 I HN 0.371 nan 8.210 nan 0.000 0.446 375 A N 3.305 126.218 122.820 0.155 0.000 2.386 375 A HA 0.842 5.162 4.320 -0.000 0.000 0.311 375 A C -1.210 176.445 177.584 0.119 0.000 1.068 375 A CA -0.629 51.504 52.037 0.160 0.000 0.743 375 A CB 1.850 20.921 19.000 0.118 0.000 1.258 375 A HN 0.566 nan 8.150 nan 0.000 0.429 376 V N 1.287 121.288 119.914 0.146 0.000 2.656 376 V HA 0.731 4.851 4.120 -0.000 0.000 0.307 376 V C 0.473 176.561 176.094 -0.010 0.000 1.051 376 V CA -0.278 62.012 62.300 -0.017 0.000 0.893 376 V CB 1.603 33.327 31.823 -0.165 0.000 0.999 376 V HN 1.316 nan 8.190 nan 0.000 0.426 377 A N 3.284 126.054 122.820 -0.083 0.000 2.282 377 A HA 0.963 5.283 4.320 -0.000 0.000 0.319 377 A C 0.128 177.728 177.584 0.027 0.000 1.121 377 A CA -0.110 51.923 52.037 -0.007 0.000 0.836 377 A CB 1.502 20.473 19.000 -0.048 0.000 1.146 377 A HN 1.735 nan 8.150 nan 0.000 0.494 378 A N 1.861 124.770 122.820 0.148 0.000 3.307 378 A HA 0.617 4.937 4.320 -0.000 0.000 0.289 378 A C -2.259 175.423 177.584 0.164 0.000 1.138 378 A CA -0.824 51.349 52.037 0.227 0.000 0.860 378 A CB 0.331 19.557 19.000 0.376 0.000 1.318 378 A HN 0.397 nan 8.150 nan 0.000 0.551 379 P HA -0.189 nan 4.420 nan 0.000 0.218 379 P C 0.216 177.218 177.300 -0.498 0.000 1.147 379 P CA 1.879 64.842 63.100 -0.229 0.000 0.827 379 P CB -0.053 31.435 31.700 -0.352 0.000 0.778 380 Y N -2.754 117.665 120.300 0.199 0.000 2.682 380 Y HA 0.421 4.971 4.550 -0.000 0.000 0.251 380 Y C 1.649 177.651 175.900 0.170 0.000 1.172 380 Y CA -0.561 57.639 58.100 0.168 0.000 1.186 380 Y CB -0.158 38.394 38.460 0.155 0.000 1.216 380 Y HN -0.173 nan 8.280 nan 0.000 0.540 381 G N -0.123 108.827 108.800 0.249 0.000 2.508 381 G HA2 0.500 4.460 3.960 -0.000 0.000 0.278 381 G HA3 0.500 4.460 3.960 -0.000 0.000 0.278 381 G C 0.312 175.309 174.900 0.162 0.000 1.389 381 G CA 0.092 45.322 45.100 0.216 0.000 1.050 381 G HN 0.548 nan 8.290 nan 0.000 0.522 382 G N -1.633 107.245 108.800 0.129 0.000 2.712 382 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.686 382 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.686 382 G C -1.587 173.354 174.900 0.069 0.000 1.321 382 G CA -0.016 45.136 45.100 0.087 0.000 0.813 382 G HN 0.530 nan 8.290 nan 0.000 0.599 383 P HA -0.124 nan 4.420 nan 0.000 0.215 383 P C 2.170 179.495 177.300 0.042 0.000 1.157 383 P CA 2.649 65.770 63.100 0.034 0.000 0.874 383 P CB -0.037 31.675 31.700 0.020 0.000 0.790 384 S N -2.086 113.638 115.700 0.040 0.000 2.607 384 S HA 0.186 4.656 4.470 -0.000 0.000 0.224 384 S C 1.656 176.300 174.600 0.074 0.000 0.969 384 S CA 0.503 58.730 58.200 0.045 0.000 0.927 384 S CB -1.364 61.853 63.200 0.029 0.000 0.772 384 S HN 0.322 nan 8.310 nan 0.000 0.533 385 G N 1.807 110.664 108.800 0.095 0.000 2.168 385 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.257 385 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.257 385 G C 0.757 175.757 174.900 0.168 0.000 0.997 385 G CA 0.440 45.629 45.100 0.149 0.000 0.708 385 G HN 0.561 nan 8.290 nan 0.000 0.520 386 R N 0.253 120.816 120.500 0.106 0.000 2.313 386 R HA 0.407 4.747 4.340 -0.000 0.000 0.199 386 R C 1.427 177.767 176.300 0.066 0.000 0.958 386 R CA 0.761 56.909 56.100 0.080 0.000 1.047 386 R CB 0.021 30.337 30.300 0.028 0.000 0.955 386 R HN 1.485 nan 8.270 nan 0.000 0.481 387 G N 1.364 110.227 108.800 0.106 0.000 2.650 387 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.686 387 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.686 387 G C -1.233 173.814 174.900 0.244 0.000 1.205 387 G CA -0.638 44.576 45.100 0.189 0.000 0.781 387 G HN 0.254 nan 8.290 nan 0.000 0.648 388 Q N -1.453 118.575 119.800 0.379 0.000 2.545 388 Q HA 0.662 5.002 4.340 -0.000 0.000 0.273 388 Q C -1.396 174.839 176.000 0.392 0.000 0.975 388 Q CA -1.257 54.787 55.803 0.401 0.000 0.876 388 Q CB 1.898 30.760 28.738 0.207 0.000 1.472 388 Q HN 1.131 nan 8.270 nan 0.000 0.389 389 V N 2.185 122.338 119.914 0.398 0.000 2.483 389 V HA 0.527 4.647 4.120 -0.000 0.000 0.295 389 V C -0.813 175.386 176.094 0.175 0.000 1.035 389 V CA -0.735 61.711 62.300 0.243 0.000 0.896 389 V CB 1.363 33.309 31.823 0.206 0.000 0.986 389 V HN 0.643 nan 8.190 nan 0.000 0.447 390 L N 5.000 126.328 121.223 0.175 0.000 2.325 390 L HA 0.521 4.861 4.340 -0.000 0.000 0.281 390 L C -0.161 176.710 176.870 0.001 0.000 1.004 390 L CA -0.122 54.756 54.840 0.064 0.000 0.823 390 L CB 1.827 43.981 42.059 0.158 0.000 1.236 390 L HN 0.386 nan 8.230 nan 0.000 0.415 391 V N 3.881 123.720 119.914 -0.126 0.000 2.498 391 V HA 0.362 4.482 4.120 -0.000 0.000 0.279 391 V C -0.420 175.529 176.094 -0.243 0.000 1.048 391 V CA -0.124 62.139 62.300 -0.061 0.000 0.967 391 V CB 0.790 32.592 31.823 -0.034 0.000 0.988 391 V HN 0.395 nan 8.190 nan 0.000 0.473 392 F N 4.596 124.586 119.950 0.066 0.000 2.477 392 F HA 0.561 5.088 4.527 -0.000 0.000 0.335 392 F C 0.127 175.958 175.800 0.053 0.000 1.130 392 F CA -0.595 57.441 58.000 0.061 0.000 0.948 392 F CB 1.459 40.501 39.000 0.070 0.000 1.154 392 F HN 0.222 nan 8.300 nan 0.000 0.439 393 L N 2.738 124.070 121.223 0.183 0.000 2.418 393 L HA 0.546 4.886 4.340 -0.000 0.000 0.265 393 L C 0.965 177.905 176.870 0.118 0.000 1.143 393 L CA -0.684 54.235 54.840 0.132 0.000 0.809 393 L CB 0.538 42.649 42.059 0.088 0.000 1.124 393 L HN 0.736 nan 8.230 nan 0.000 0.456 394 G N 0.960 109.828 108.800 0.114 0.000 2.572 394 G HA2 0.422 4.382 3.960 -0.000 0.000 0.261 394 G HA3 0.422 4.382 3.960 -0.000 0.000 0.261 394 G C -0.891 173.941 174.900 -0.114 0.000 1.197 394 G CA -0.087 45.054 45.100 0.069 0.000 0.870 394 G HN 0.635 nan 8.290 nan 0.000 0.548 395 Q N -0.931 118.633 119.800 -0.392 0.000 2.756 395 Q HA 0.203 4.543 4.340 -0.000 0.000 0.295 395 Q C 1.019 176.520 176.000 -0.832 0.000 0.903 395 Q CA -0.220 55.114 55.803 -0.780 0.000 0.768 395 Q CB 0.832 29.379 28.738 -0.317 0.000 1.472 395 Q HN 0.562 nan 8.270 nan 0.000 0.416 396 S N 0.806 116.034 115.700 -0.788 0.000 2.372 396 S HA -0.220 4.250 4.470 -0.000 0.000 0.227 396 S C 0.855 175.377 174.600 -0.131 0.000 1.044 396 S CA 2.591 60.610 58.200 -0.302 0.000 1.050 396 S CB -0.044 63.093 63.200 -0.105 0.000 0.901 396 S HN 0.569 nan 8.310 nan 0.000 0.447 397 E N -0.103 120.025 120.200 -0.121 0.000 2.481 397 E HA 0.353 4.703 4.350 -0.000 0.000 0.195 397 E C 1.231 177.802 176.600 -0.049 0.000 1.047 397 E CA 0.438 56.803 56.400 -0.059 0.000 0.867 397 E CB 0.183 29.855 29.700 -0.046 0.000 0.858 397 E HN 0.588 nan 8.360 nan 0.000 0.513 398 G N -0.426 108.330 108.800 -0.073 0.000 1.649 398 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.099 398 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.099 398 G C -0.931 173.945 174.900 -0.040 0.000 1.449 398 G CA -0.622 44.456 45.100 -0.036 0.000 1.238 398 G HN 0.061 nan 8.290 nan 0.000 0.398 399 L N 1.474 122.681 121.223 -0.026 0.000 2.376 399 L HA 0.656 4.996 4.340 -0.000 0.000 0.258 399 L C 0.120 177.005 176.870 0.026 0.000 1.013 399 L CA -1.303 53.544 54.840 0.012 0.000 0.822 399 L CB 2.283 44.349 42.059 0.011 0.000 1.388 399 L HN 0.728 nan 8.230 nan 0.000 0.413 400 R N 0.163 120.719 120.500 0.093 0.000 2.404 400 R HA 0.383 4.723 4.340 -0.000 0.000 0.291 400 R C 0.015 176.428 176.300 0.188 0.000 1.025 400 R CA -0.560 55.600 56.100 0.099 0.000 0.991 400 R CB 1.208 31.556 30.300 0.081 0.000 1.053 400 R HN 0.557 nan 8.270 nan 0.000 0.479 401 S N 1.362 117.133 115.700 0.119 0.000 2.469 401 S HA -0.041 4.429 4.470 -0.000 0.000 0.238 401 S C 0.466 175.213 174.600 0.245 0.000 0.998 401 S CA 0.798 59.085 58.200 0.145 0.000 0.957 401 S CB -0.124 63.109 63.200 0.056 0.000 0.764 401 S HN 0.421 nan 8.310 nan 0.000 0.514 402 R N 2.561 123.168 120.500 0.177 0.000 2.202 402 R HA 0.281 4.621 4.340 -0.000 0.000 0.334 402 R C -2.887 173.419 176.300 0.010 0.000 1.036 402 R CA -2.282 53.874 56.100 0.095 0.000 0.878 402 R CB -0.065 30.255 30.300 0.035 0.000 1.067 402 R HN 0.159 nan 8.270 nan 0.000 0.457 403 P HA 0.012 nan 4.420 nan 0.000 0.276 403 P C 0.412 177.527 177.300 -0.307 0.000 1.253 403 P CA -0.050 62.661 63.100 -0.648 0.000 0.766 403 P CB 0.845 32.117 31.700 -0.713 0.000 0.845 404 S N 2.092 117.642 115.700 -0.249 0.000 2.803 404 S HA 0.063 4.533 4.470 -0.000 0.000 0.228 404 S C 0.447 174.974 174.600 -0.120 0.000 0.953 404 S CA -0.028 58.096 58.200 -0.126 0.000 0.983 404 S CB -0.540 62.623 63.200 -0.063 0.000 0.784 404 S HN 0.670 nan 8.310 nan 0.000 0.498 405 Q N -0.991 118.712 119.800 -0.161 0.000 2.939 405 Q HA 0.389 4.729 4.340 -0.000 0.000 0.274 405 Q C -2.548 173.378 176.000 -0.123 0.000 0.941 405 Q CA -0.563 55.169 55.803 -0.120 0.000 0.824 405 Q CB 1.198 29.876 28.738 -0.099 0.000 1.779 405 Q HN 0.202 nan 8.270 nan 0.000 0.470 406 V N 3.216 123.081 119.914 -0.082 0.000 2.610 406 V HA 0.409 4.529 4.120 -0.000 0.000 0.298 406 V C -0.969 175.106 176.094 -0.031 0.000 1.067 406 V CA -0.519 61.757 62.300 -0.040 0.000 0.894 406 V CB 1.700 33.508 31.823 -0.025 0.000 1.015 406 V HN 0.632 nan 8.190 nan 0.000 0.432 407 L N 4.099 125.328 121.223 0.010 0.000 2.264 407 L HA 0.573 4.913 4.340 -0.000 0.000 0.289 407 L C -0.376 176.557 176.870 0.105 0.000 1.044 407 L CA -0.370 54.475 54.840 0.008 0.000 0.807 407 L CB 1.093 43.147 42.059 -0.008 0.000 1.192 407 L HN 0.522 nan 8.230 nan 0.000 0.425 408 D N 1.111 121.505 120.400 -0.010 0.000 2.225 408 D HA 0.147 4.787 4.640 -0.000 0.000 0.249 408 D C 0.046 176.119 176.300 -0.379 0.000 1.052 408 D CA -0.048 53.888 54.000 -0.106 0.000 0.909 408 D CB 1.585 42.338 40.800 -0.078 0.000 1.186 408 D HN 0.382 nan 8.370 nan 0.000 0.431 409 S N 2.135 117.420 115.700 -0.691 0.000 2.546 409 S HA 0.078 4.548 4.470 -0.000 0.000 0.290 409 S C -1.679 172.602 174.600 -0.531 0.000 1.262 409 S CA -1.018 56.498 58.200 -1.140 0.000 1.083 409 S CB 0.440 63.223 63.200 -0.695 0.000 0.859 409 S HN 0.297 nan 8.310 nan 0.000 0.495 410 P HA 0.257 nan 4.420 nan 0.000 0.253 410 P C -0.751 176.073 177.300 -0.792 0.000 1.459 410 P CA -0.077 62.724 63.100 -0.497 0.000 0.908 410 P CB -0.286 31.204 31.700 -0.350 0.000 1.470 411 F N 0.287 120.124 119.950 -0.189 0.000 2.611 411 F HA 0.542 5.069 4.527 -0.000 0.000 0.324 411 F C -1.948 173.793 175.800 -0.099 0.000 1.061 411 F CA -2.759 55.155 58.000 -0.143 0.000 0.954 411 F CB 0.135 39.066 39.000 -0.116 0.000 1.301 411 F HN -0.295 nan 8.300 nan 0.000 0.482 412 P HA 0.108 nan 4.420 nan 0.000 0.280 412 P C -0.515 176.826 177.300 0.069 0.000 1.278 412 P CA -0.293 62.848 63.100 0.069 0.000 0.787 412 P CB 0.258 31.992 31.700 0.057 0.000 1.163 413 T N 0.199 114.787 114.554 0.056 0.000 2.901 413 T HA 0.388 4.738 4.350 -0.000 0.000 0.301 413 T C 0.895 175.639 174.700 0.074 0.000 1.012 413 T CA 1.274 63.418 62.100 0.073 0.000 1.135 413 T CB -0.568 68.339 68.868 0.065 0.000 0.936 413 T HN 0.808 nan 8.240 nan 0.000 0.539 414 G N 2.254 111.124 108.800 0.118 0.000 2.248 414 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.263 414 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.263 414 G C 0.806 175.703 174.900 -0.006 0.000 1.082 414 G CA 0.434 45.605 45.100 0.119 0.000 0.863 414 G HN 0.958 nan 8.290 nan 0.000 0.495 415 S N -1.415 114.256 115.700 -0.048 0.000 2.503 415 S HA 0.543 5.013 4.470 -0.000 0.000 0.215 415 S C 1.966 176.361 174.600 -0.341 0.000 1.003 415 S CA 1.475 59.575 58.200 -0.167 0.000 0.910 415 S CB 0.285 63.444 63.200 -0.069 0.000 0.790 415 S HN 2.351 nan 8.310 nan 0.000 0.514 416 A N 0.463 123.068 122.820 -0.358 0.000 2.847 416 A HA -0.218 4.102 4.320 -0.000 0.000 0.263 416 A C 0.222 177.655 177.584 -0.250 0.000 1.391 416 A CA 0.677 52.387 52.037 -0.546 0.000 0.866 416 A CB -3.043 15.371 19.000 -0.977 0.000 1.057 416 A HN 1.203 nan 8.150 nan 0.000 0.673 417 F N 0.422 120.224 119.950 -0.247 0.000 2.549 417 F HA 0.326 4.853 4.527 -0.000 0.000 0.400 417 F C 1.422 177.208 175.800 -0.023 0.000 1.011 417 F CA 1.774 59.729 58.000 -0.076 0.000 1.148 417 F CB -0.170 38.874 39.000 0.074 0.000 0.993 417 F HN 1.472 nan 8.300 nan 0.000 0.540 418 G N 4.911 113.453 108.800 -0.431 0.000 2.231 418 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.206 418 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.206 418 G C 0.733 175.575 174.900 -0.097 0.000 0.996 418 G CA 0.085 45.005 45.100 -0.300 0.000 0.645 418 G HN 0.695 nan 8.290 nan 0.000 0.498 419 F N 3.114 122.962 119.950 -0.171 0.000 2.120 419 F HA 0.110 4.637 4.527 -0.000 0.000 0.300 419 F C 1.748 177.463 175.800 -0.143 0.000 1.095 419 F CA 2.346 60.286 58.000 -0.100 0.000 1.249 419 F CB 0.007 39.004 39.000 -0.005 0.000 0.995 419 F HN 0.413 nan 8.300 nan 0.000 0.480 420 S N 0.640 116.303 115.700 -0.062 0.000 2.473 420 S HA 0.696 5.165 4.470 -0.000 0.000 0.307 420 S C -0.937 173.578 174.600 -0.141 0.000 1.094 420 S CA -0.831 57.281 58.200 -0.148 0.000 1.070 420 S CB 1.958 65.097 63.200 -0.102 0.000 1.019 420 S HN 0.131 nan 8.310 nan 0.000 0.480 421 L N 2.017 123.161 121.223 -0.131 0.000 2.388 421 L HA 0.809 5.149 4.340 -0.000 0.000 0.264 421 L C -0.482 176.349 176.870 -0.064 0.000 0.998 421 L CA -0.852 53.935 54.840 -0.089 0.000 0.817 421 L CB 2.370 44.393 42.059 -0.060 0.000 1.338 421 L HN 0.665 nan 8.230 nan 0.000 0.414 422 R N 0.694 121.176 120.500 -0.031 0.000 2.536 422 R HA 0.750 5.090 4.340 -0.000 0.000 0.269 422 R C -0.988 175.455 176.300 0.238 0.000 1.113 422 R CA -0.177 55.938 56.100 0.024 0.000 0.948 422 R CB 1.976 32.176 30.300 -0.167 0.000 1.237 422 R HN 0.780 nan 8.270 nan 0.000 0.441 423 G N 0.672 109.679 108.800 0.346 0.000 2.976 423 G HA2 0.572 4.532 3.960 -0.000 0.000 0.276 423 G HA3 0.572 4.532 3.960 -0.000 0.000 0.276 423 G C -0.575 174.454 174.900 0.215 0.000 1.207 423 G CA 0.006 45.326 45.100 0.367 0.000 0.803 423 G HN 1.314 nan 8.290 nan 0.000 0.572 424 A N -2.282 120.577 122.820 0.066 0.000 2.905 424 A HA 0.052 4.372 4.320 -0.000 0.000 0.260 424 A C 0.057 177.555 177.584 -0.144 0.000 1.398 424 A CA 1.099 53.131 52.037 -0.007 0.000 0.840 424 A CB -1.996 17.031 19.000 0.046 0.000 1.059 424 A HN 1.748 nan 8.150 nan 0.000 0.647 425 V N 0.210 119.907 119.914 -0.363 0.000 2.733 425 V HA 0.478 4.598 4.120 -0.000 0.000 0.306 425 V C -0.524 175.248 176.094 -0.537 0.000 1.084 425 V CA -0.439 61.512 62.300 -0.582 0.000 0.905 425 V CB 2.009 33.127 31.823 -1.175 0.000 1.010 425 V HN 0.459 nan 8.190 nan 0.000 0.424 426 D N 3.483 123.678 120.400 -0.341 0.000 2.393 426 D HA 0.239 4.879 4.640 -0.000 0.000 0.232 426 D C 0.692 176.818 176.300 -0.290 0.000 1.192 426 D CA 0.156 54.008 54.000 -0.248 0.000 0.882 426 D CB 1.112 41.824 40.800 -0.147 0.000 1.038 426 D HN 0.567 nan 8.370 nan 0.000 0.499 427 I N 2.558 122.908 120.570 -0.366 0.000 2.703 427 I HA -0.111 4.059 4.170 -0.000 0.000 0.259 427 I C 1.114 176.895 176.117 -0.559 0.000 1.151 427 I CA 0.606 61.649 61.300 -0.429 0.000 1.470 427 I CB 0.404 38.124 38.000 -0.468 0.000 1.112 427 I HN 0.280 nan 8.210 nan 0.000 0.437 428 D N -0.630 119.495 120.400 -0.458 0.000 2.350 428 D HA -0.068 4.572 4.640 -0.000 0.000 0.213 428 D C 0.160 176.463 176.300 0.004 0.000 1.031 428 D CA 0.108 53.986 54.000 -0.205 0.000 0.861 428 D CB -0.417 40.350 40.800 -0.055 0.000 0.926 428 D HN 0.276 nan 8.370 nan 0.000 0.520 429 D N 0.775 121.147 120.400 -0.046 0.000 4.044 429 D HA -0.182 4.458 4.640 -0.000 0.000 0.242 429 D C -0.580 175.736 176.300 0.027 0.000 1.076 429 D CA 0.879 54.875 54.000 -0.008 0.000 1.171 429 D CB -1.235 39.578 40.800 0.022 0.000 0.866 429 D HN 0.431 nan 8.370 nan 0.000 0.413 430 N N 2.261 120.977 118.700 0.027 0.000 2.194 430 N HA 0.239 4.979 4.740 -0.000 0.000 0.233 430 N C 1.137 176.673 175.510 0.044 0.000 1.392 430 N CA 0.387 53.482 53.050 0.076 0.000 0.790 430 N CB -0.028 38.546 38.487 0.144 0.000 1.291 430 N HN 0.944 nan 8.380 nan 0.000 0.518 431 G N 0.106 108.866 108.800 -0.066 0.000 2.187 431 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.261 431 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.261 431 G C -0.929 173.744 174.900 -0.377 0.000 1.000 431 G CA 0.895 45.862 45.100 -0.222 0.000 0.718 431 G HN 0.473 nan 8.290 nan 0.000 0.519 432 Y N -0.445 119.830 120.300 -0.042 0.000 2.373 432 Y HA 0.500 5.050 4.550 -0.000 0.000 0.336 432 Y C -2.231 173.632 175.900 -0.061 0.000 0.979 432 Y CA -2.519 55.558 58.100 -0.037 0.000 1.080 432 Y CB 2.219 40.668 38.460 -0.019 0.000 1.190 432 Y HN -0.065 nan 8.280 nan 0.000 0.446 433 P HA 0.078 nan 4.420 nan 0.000 0.269 433 P C -0.691 176.623 177.300 0.023 0.000 1.209 433 P CA 0.265 63.368 63.100 0.005 0.000 0.776 433 P CB 1.027 32.739 31.700 0.020 0.000 0.876 434 D N 0.882 121.261 120.400 -0.034 0.000 2.689 434 D HA 0.616 5.256 4.640 -0.000 0.000 0.255 434 D C -0.915 175.480 176.300 0.158 0.000 1.113 434 D CA -0.132 53.894 54.000 0.043 0.000 1.115 434 D CB 1.241 42.029 40.800 -0.018 0.000 1.334 434 D HN 0.117 nan 8.370 nan 0.000 0.621 435 L N 0.738 122.107 121.223 0.244 0.000 2.505 435 L HA 0.426 4.766 4.340 -0.000 0.000 0.266 435 L C -1.451 175.571 176.870 0.252 0.000 0.954 435 L CA -0.542 54.474 54.840 0.293 0.000 0.852 435 L CB 1.587 43.807 42.059 0.267 0.000 1.282 435 L HN 0.381 nan 8.230 nan 0.000 0.403 436 I N 2.935 123.602 120.570 0.161 0.000 2.412 436 I HA 0.820 4.990 4.170 -0.000 0.000 0.296 436 I C -1.057 175.045 176.117 -0.025 0.000 0.987 436 I CA -1.014 60.298 61.300 0.020 0.000 1.180 436 I CB 1.902 39.802 38.000 -0.166 0.000 1.340 436 I HN 0.294 nan 8.210 nan 0.000 0.455 437 V N 4.395 124.284 119.914 -0.040 0.000 2.531 437 V HA 0.651 4.771 4.120 -0.000 0.000 0.301 437 V C 0.599 176.618 176.094 -0.126 0.000 1.034 437 V CA -0.413 61.807 62.300 -0.132 0.000 0.865 437 V CB 1.609 33.292 31.823 -0.233 0.000 0.995 437 V HN 1.003 nan 8.190 nan 0.000 0.424 438 G N 2.748 111.460 108.800 -0.147 0.000 2.425 438 G HA2 0.640 4.600 3.960 -0.000 0.000 0.302 438 G HA3 0.640 4.600 3.960 -0.000 0.000 0.302 438 G C -0.228 174.597 174.900 -0.125 0.000 1.159 438 G CA -0.076 44.968 45.100 -0.092 0.000 0.865 438 G HN 1.236 nan 8.290 nan 0.000 0.515 439 A N 1.601 124.341 122.820 -0.133 0.000 3.127 439 A HA 0.451 4.771 4.320 -0.000 0.000 0.319 439 A C 0.364 177.831 177.584 -0.195 0.000 1.104 439 A CA -0.554 51.340 52.037 -0.239 0.000 0.802 439 A CB -0.114 18.581 19.000 -0.509 0.000 1.193 439 A HN 1.104 nan 8.150 nan 0.000 0.479 440 Y N -0.196 120.046 120.300 -0.096 0.000 2.315 440 Y HA -0.026 4.524 4.550 -0.000 0.000 0.288 440 Y C 1.635 177.517 175.900 -0.030 0.000 1.154 440 Y CA 1.798 59.884 58.100 -0.023 0.000 1.229 440 Y CB -0.574 37.909 38.460 0.039 0.000 0.980 440 Y HN 0.366 nan 8.280 nan 0.000 0.540 441 G N 0.257 108.752 108.800 -0.508 0.000 2.422 441 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.218 441 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.218 441 G C 1.579 176.385 174.900 -0.156 0.000 1.140 441 G CA 0.608 45.521 45.100 -0.311 0.000 0.775 441 G HN 0.661 nan 8.290 nan 0.000 0.545 442 A N 0.061 122.747 122.820 -0.224 0.000 2.308 442 A HA 0.282 4.602 4.320 -0.000 0.000 0.217 442 A C 1.148 178.629 177.584 -0.172 0.000 1.216 442 A CA 0.462 52.366 52.037 -0.222 0.000 0.864 442 A CB -0.098 18.626 19.000 -0.459 0.000 0.902 442 A HN 0.228 nan 8.150 nan 0.000 0.499 443 N N -0.200 118.454 118.700 -0.076 0.000 2.735 443 N HA -0.159 4.581 4.740 -0.000 0.000 0.248 443 N C -0.368 175.138 175.510 -0.006 0.000 1.083 443 N CA 1.502 54.569 53.050 0.028 0.000 0.703 443 N CB -1.492 36.980 38.487 -0.026 0.000 1.005 443 N HN 0.819 nan 8.380 nan 0.000 0.550 444 Q N -1.329 118.456 119.800 -0.025 0.000 2.553 444 Q HA 0.763 5.103 4.340 -0.000 0.000 0.293 444 Q C -0.885 175.174 176.000 0.098 0.000 1.038 444 Q CA -0.894 54.916 55.803 0.012 0.000 0.777 444 Q CB 2.590 31.198 28.738 -0.218 0.000 1.487 444 Q HN 0.006 nan 8.270 nan 0.000 0.426 445 V N 0.085 120.179 119.914 0.301 0.000 2.876 445 V HA 0.901 5.021 4.120 -0.000 0.000 0.312 445 V C -1.211 175.128 176.094 0.408 0.000 1.085 445 V CA -0.795 61.669 62.300 0.272 0.000 0.945 445 V CB 1.849 33.842 31.823 0.283 0.000 1.017 445 V HN 0.833 nan 8.190 nan 0.000 0.428 446 A N 2.772 125.790 122.820 0.330 0.000 2.356 446 A HA 0.864 5.184 4.320 -0.000 0.000 0.310 446 A C -1.042 176.584 177.584 0.070 0.000 1.075 446 A CA -0.557 51.690 52.037 0.351 0.000 0.746 446 A CB 1.711 20.968 19.000 0.429 0.000 1.221 446 A HN 0.727 nan 8.150 nan 0.000 0.443 447 V N 2.493 122.476 119.914 0.114 0.000 2.394 447 V HA 0.369 4.489 4.120 -0.000 0.000 0.282 447 V C -1.205 174.882 176.094 -0.012 0.000 1.031 447 V CA -0.398 61.961 62.300 0.099 0.000 0.881 447 V CB 0.656 32.667 31.823 0.312 0.000 0.982 447 V HN 0.707 nan 8.190 nan 0.000 0.451 448 Y N 3.915 124.331 120.300 0.194 0.000 2.356 448 Y HA 0.532 5.082 4.550 -0.000 0.000 0.334 448 Y C 0.647 176.600 175.900 0.089 0.000 0.958 448 Y CA -0.863 57.324 58.100 0.144 0.000 1.196 448 Y CB 1.099 39.648 38.460 0.148 0.000 1.137 448 Y HN 0.511 nan 8.280 nan 0.000 0.485 449 R N 1.127 121.763 120.500 0.227 0.000 2.459 449 R HA 0.548 4.888 4.340 -0.000 0.000 0.281 449 R C 0.860 177.204 176.300 0.073 0.000 1.050 449 R CA 0.190 56.356 56.100 0.110 0.000 1.055 449 R CB 1.261 31.617 30.300 0.094 0.000 1.045 449 R HN 0.873 nan 8.270 nan 0.000 0.495 450 A N 2.657 125.492 122.820 0.025 0.000 1.821 450 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 450 A C 0.292 177.790 177.584 -0.142 0.000 1.214 450 A CA 1.149 53.154 52.037 -0.054 0.000 0.608 450 A CB 0.137 19.107 19.000 -0.051 0.000 0.862 450 A HN 0.549 nan 8.150 nan 0.000 0.448 451 Q N 0.347 120.040 119.800 -0.178 0.000 2.907 451 Q HA 0.393 4.733 4.340 -0.000 0.000 0.262 451 Q C -2.579 173.397 176.000 -0.041 0.000 0.997 451 Q CA -1.593 54.103 55.803 -0.179 0.000 0.797 451 Q CB 0.443 28.957 28.738 -0.373 0.000 1.228 451 Q HN 0.386 nan 8.270 nan 0.000 0.466 452 P HA 0.000 nan 4.420 nan 0.000 0.216 452 P CA 0.000 63.129 63.100 0.049 0.000 0.800 452 P CB 0.000 31.737 31.700 0.062 0.000 0.726