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 2wzs_1_E DATA FIRST_RESID 20 DATA SEQUENCE KDWTQYVNPL MGSQSTFELS TGNTYPAIAR PWGMNFWTPQ TGKMGDGWQY DATA SEQUENCE TYTANKIRGF KQTHQPSPWI NDYGQFSIMP IVGQPVFDEE KRASWFAHKG DATA SEQUENCE EVATPYYYKV YLAEHDIVTE MTPTERAVLF RFTFPENDHS YVVVDAFDKG DATA SEQUENCE SYIKIIPEEN KIIGYTTRNS GGVPENFKNY FIIEFDKPFT YKATVENGNL DATA SEQUENCE QENVAEQTTD HAGAIIGFKT RKGEQVNARI ASSFISFEQA AANMNELGKD DATA SEQUENCE NIEQLAQKGK DAWNQVLGKI EVEGGNLDQY RTFYSCLYRS LLFPRKFYEL DATA SEQUENCE DANGQPIHYS PYNGQVLPGY MFTDTGFWDT FRCLFPLLNL MYPSVNKEMQ DATA SEQUENCE EGLINTYLES GFFPEWASPG HRGCMVGNNS ASILVDAYMK GVKVDDIKTL DATA SEQUENCE YEGLIHGTEN VHPEVSSTGR LGYEYYNKLG YVPYDVKINE NAARTLEYAY DATA SEQUENCE DDWCIYRLAK ELKRPKKEIS LFAKRAMNYK NLFDKESKLM RGRNEDGTFQ DATA SEQUENCE SPFSPLKWGD AFTEGNSWHY TWSVFHDPQG LIDLMGGKEM FVTMMDSVFA DATA SEQUENCE VPPIFDDSYY GQVIHEIREM TVMNMGNYAH GNQPIQHMIY LYDYAGQPWK DATA SEQUENCE AQYWLRQVMD RMYTPGPDGY CGDEDNGQTS AWYVFSALGF YPVCPGTDEY DATA SEQUENCE VMGTPLFKKA TLHFENGNSL VIDAPNNSTE NFYIDSMSFN GADHTKNYLR DATA SEQUENCE HEDLFKGGTI KVDMSNRPNL NRGTKEEDMP YSFSKE 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 20 K HA 0.000 nan 4.320 nan 0.000 0.191 20 K C 0.000 176.066 176.600 -0.890 0.000 0.988 20 K CA 0.000 55.901 56.287 -0.644 0.000 0.838 20 K CB 0.000 32.061 32.500 -0.732 0.000 1.064 21 D N 1.348 121.304 120.400 -0.739 0.000 2.233 21 D HA 0.537 5.177 4.640 0.001 0.000 0.240 21 D C 0.452 176.359 176.300 -0.654 0.000 1.074 21 D CA -0.299 53.377 54.000 -0.540 0.000 0.838 21 D CB 0.611 41.214 40.800 -0.329 0.000 1.124 21 D HN 0.569 nan 8.370 nan 0.000 0.475 22 W N 2.326 123.516 121.300 -0.185 0.000 3.107 22 W HA 0.006 4.666 4.660 0.001 0.000 0.293 22 W C 1.815 178.206 176.519 -0.214 0.000 1.239 22 W CA 0.466 57.644 57.345 -0.278 0.000 1.653 22 W CB -0.212 28.999 29.460 -0.415 0.000 1.068 22 W HN 0.540 nan 8.180 nan 0.000 0.615 23 T N -0.928 113.655 114.554 0.050 0.000 2.962 23 T HA -0.265 4.086 4.350 0.001 0.000 0.270 23 T C 1.713 176.381 174.700 -0.053 0.000 1.088 23 T CA 1.475 63.605 62.100 0.049 0.000 1.127 23 T CB -0.361 68.614 68.868 0.177 0.000 0.883 23 T HN 0.357 nan 8.240 nan 0.000 0.493 24 Q N 0.149 119.822 119.800 -0.211 0.000 2.234 24 Q HA -0.183 4.157 4.340 0.001 0.000 0.206 24 Q C 1.310 177.161 176.000 -0.248 0.000 0.980 24 Q CA 1.501 57.120 55.803 -0.306 0.000 0.869 24 Q CB -0.820 27.602 28.738 -0.526 0.000 0.912 24 Q HN 0.661 nan 8.270 nan 0.000 0.436 25 Y N 0.475 120.799 120.300 0.040 0.000 2.482 25 Y HA 0.262 4.813 4.550 0.001 0.000 0.270 25 Y C 0.585 176.557 175.900 0.120 0.000 1.152 25 Y CA -0.612 57.566 58.100 0.130 0.000 1.292 25 Y CB 0.635 39.254 38.460 0.264 0.000 1.070 25 Y HN -0.125 nan 8.280 nan 0.000 0.528 26 V N 2.313 122.306 119.914 0.132 0.000 2.455 26 V HA 0.059 4.180 4.120 0.001 0.000 0.273 26 V C -0.160 175.868 176.094 -0.110 0.000 1.045 26 V CA -0.462 61.823 62.300 -0.024 0.000 0.976 26 V CB 0.658 32.315 31.823 -0.277 0.000 0.993 26 V HN 0.254 nan 8.190 nan 0.000 0.475 27 N N 7.135 125.801 118.700 -0.056 0.000 2.558 27 N HA 0.415 5.155 4.740 0.001 0.000 0.242 27 N C -1.994 173.478 175.510 -0.063 0.000 0.979 27 N CA -2.123 50.895 53.050 -0.054 0.000 0.931 27 N CB 2.079 40.571 38.487 0.008 0.000 1.122 27 N HN 0.197 nan 8.380 nan 0.000 0.508 28 P HA 0.026 nan 4.420 nan 0.000 0.230 28 P C 0.806 178.124 177.300 0.030 0.000 1.158 28 P CA 0.769 63.830 63.100 -0.066 0.000 0.769 28 P CB 0.314 31.906 31.700 -0.180 0.000 0.807 29 L N -2.194 119.056 121.223 0.044 0.000 2.554 29 L HA 0.141 4.481 4.340 0.001 0.000 0.226 29 L C 1.348 178.271 176.870 0.088 0.000 1.137 29 L CA -0.098 54.802 54.840 0.100 0.000 0.863 29 L CB -0.498 41.665 42.059 0.174 0.000 0.985 29 L HN 0.094 nan 8.230 nan 0.000 0.451 30 M N 0.827 120.469 119.600 0.071 0.000 2.307 30 M HA 0.180 4.660 4.480 0.001 0.000 0.346 30 M C 1.045 177.459 176.300 0.189 0.000 1.552 30 M CA 1.124 56.457 55.300 0.055 0.000 1.116 30 M CB 0.168 32.770 32.600 0.002 0.000 1.889 30 M HN 0.257 nan 8.290 nan 0.000 0.460 31 G N 2.139 111.050 108.800 0.184 0.000 2.176 31 G HA2 -0.280 3.681 3.960 0.001 0.000 0.232 31 G HA3 -0.280 3.681 3.960 0.001 0.000 0.232 31 G C 0.597 175.626 174.900 0.214 0.000 0.986 31 G CA 0.527 45.796 45.100 0.282 0.000 0.643 31 G HN 0.899 nan 8.290 nan 0.000 0.522 32 S N -0.807 115.027 115.700 0.224 0.000 2.562 32 S HA 0.208 4.679 4.470 0.001 0.000 0.221 32 S C 1.167 175.970 174.600 0.339 0.000 0.975 32 S CA 1.166 59.571 58.200 0.341 0.000 0.918 32 S CB 0.278 63.786 63.200 0.512 0.000 0.772 32 S HN 0.596 nan 8.310 nan 0.000 0.531 33 Q N 1.882 121.812 119.800 0.217 0.000 3.041 33 Q HA 0.372 4.712 4.340 0.001 0.000 0.372 33 Q C -1.039 175.056 176.000 0.158 0.000 1.241 33 Q CA -0.318 55.596 55.803 0.185 0.000 1.010 33 Q CB 0.011 28.781 28.738 0.053 0.000 1.467 33 Q HN 0.423 nan 8.270 nan 0.000 0.462 34 S N -0.085 115.740 115.700 0.208 0.000 2.568 34 S HA 0.647 5.117 4.470 0.001 0.000 0.302 34 S C -0.311 174.407 174.600 0.197 0.000 1.082 34 S CA -0.696 57.626 58.200 0.203 0.000 1.009 34 S CB 1.885 65.233 63.200 0.247 0.000 1.069 34 S HN 0.515 nan 8.310 nan 0.000 0.500 35 T N -1.361 113.260 114.554 0.112 0.000 2.907 35 T HA 0.542 4.893 4.350 0.001 0.000 0.290 35 T C 0.646 175.341 174.700 -0.008 0.000 1.066 35 T CA -0.801 61.272 62.100 -0.044 0.000 1.012 35 T CB 0.561 69.403 68.868 -0.045 0.000 1.184 35 T HN 0.346 nan 8.240 nan 0.000 0.522 36 F N 1.549 121.275 119.950 -0.373 0.000 2.120 36 F HA -0.088 4.439 4.527 0.001 0.000 0.300 36 F C 1.988 177.831 175.800 0.072 0.000 1.095 36 F CA 1.937 59.838 58.000 -0.164 0.000 1.249 36 F CB -0.279 38.521 39.000 -0.333 0.000 0.995 36 F HN 0.699 nan 8.300 nan 0.000 0.480 37 E N -0.159 120.058 120.200 0.028 0.000 2.216 37 E HA 0.119 4.470 4.350 0.001 0.000 0.192 37 E C -0.349 176.251 176.600 -0.001 0.000 0.988 37 E CA 0.601 56.993 56.400 -0.014 0.000 0.834 37 E CB 0.185 29.924 29.700 0.066 0.000 0.772 37 E HN 0.293 nan 8.360 nan 0.000 0.479 38 L N -0.087 121.152 121.223 0.026 0.000 2.596 38 L HA 0.317 4.658 4.340 0.001 0.000 0.265 38 L C -1.078 175.838 176.870 0.077 0.000 0.962 38 L CA -0.336 54.536 54.840 0.054 0.000 0.891 38 L CB 1.967 44.047 42.059 0.036 0.000 1.248 38 L HN -0.176 nan 8.230 nan 0.000 0.410 39 S N 1.419 117.184 115.700 0.109 0.000 2.537 39 S HA 0.532 5.002 4.470 0.001 0.000 0.275 39 S C 0.766 175.436 174.600 0.117 0.000 1.272 39 S CA 0.287 58.561 58.200 0.123 0.000 1.050 39 S CB 0.766 64.051 63.200 0.142 0.000 0.961 39 S HN 0.738 nan 8.310 nan 0.000 0.496 40 T N 1.064 115.694 114.554 0.128 0.000 3.266 40 T HA 0.565 4.916 4.350 0.001 0.000 0.278 40 T C 1.011 175.845 174.700 0.223 0.000 1.010 40 T CA 0.174 62.356 62.100 0.136 0.000 0.909 40 T CB 0.136 69.061 68.868 0.095 0.000 1.122 40 T HN 1.116 nan 8.240 nan 0.000 0.536 41 G N 1.560 110.453 108.800 0.156 0.000 3.345 41 G HA2 -0.160 3.801 3.960 0.001 0.000 0.199 41 G HA3 -0.160 3.801 3.960 0.001 0.000 0.199 41 G C 0.149 175.049 174.900 -0.001 0.000 1.057 41 G CA -0.262 44.870 45.100 0.053 0.000 0.865 41 G HN 0.395 nan 8.290 nan 0.000 0.449 42 N N 1.661 120.405 118.700 0.073 0.000 2.705 42 N HA -0.147 4.594 4.740 0.001 0.000 0.255 42 N C 0.375 175.859 175.510 -0.044 0.000 1.008 42 N CA 1.971 55.024 53.050 0.005 0.000 0.742 42 N CB -1.404 37.052 38.487 -0.052 0.000 0.906 42 N HN 1.385 nan 8.380 nan 0.000 0.541 43 T N -2.409 112.162 114.554 0.028 0.000 2.949 43 T HA 0.775 5.126 4.350 0.001 0.000 0.287 43 T C -0.098 174.661 174.700 0.100 0.000 1.034 43 T CA -0.800 61.288 62.100 -0.021 0.000 1.018 43 T CB 2.083 70.936 68.868 -0.024 0.000 1.135 43 T HN 0.232 nan 8.240 nan 0.000 0.532 44 Y N -1.826 118.511 120.300 0.061 0.000 2.602 44 Y HA 0.787 5.337 4.550 0.001 0.000 0.342 44 Y C -2.990 172.882 175.900 -0.046 0.000 1.029 44 Y CA -3.570 54.547 58.100 0.028 0.000 1.080 44 Y CB 0.512 38.995 38.460 0.037 0.000 1.284 44 Y HN 0.401 nan 8.280 nan 0.000 0.485 45 P HA 0.259 nan 4.420 nan 0.000 0.280 45 P C -0.842 176.472 177.300 0.024 0.000 1.300 45 P CA 0.056 63.099 63.100 -0.094 0.000 0.785 45 P CB 0.735 32.283 31.700 -0.252 0.000 0.874 46 A N 6.238 129.044 122.820 -0.023 0.000 2.343 46 A HA 0.388 4.708 4.320 0.001 0.000 0.305 46 A C 0.283 177.830 177.584 -0.062 0.000 1.308 46 A CA -0.515 51.479 52.037 -0.072 0.000 0.949 46 A CB -0.400 18.317 19.000 -0.472 0.000 1.148 46 A HN 0.386 nan 8.150 nan 0.000 0.545 47 I N 2.416 122.983 120.570 -0.005 0.000 2.291 47 I HA 0.562 4.732 4.170 0.001 0.000 0.292 47 I C 0.539 176.716 176.117 0.101 0.000 1.064 47 I CA 0.167 61.480 61.300 0.021 0.000 1.269 47 I CB -0.300 37.704 38.000 0.008 0.000 1.418 47 I HN 0.692 nan 8.210 nan 0.000 0.485 48 A N 7.152 130.057 122.820 0.141 0.000 2.601 48 A HA 0.731 5.052 4.320 0.001 0.000 0.291 48 A C -0.477 177.357 177.584 0.417 0.000 1.075 48 A CA -0.869 51.291 52.037 0.205 0.000 0.671 48 A CB 1.751 20.633 19.000 -0.197 0.000 1.277 48 A HN 0.454 nan 8.150 nan 0.000 0.417 49 R N 0.045 120.722 120.500 0.296 0.000 2.560 49 R HA 0.467 4.808 4.340 0.001 0.000 0.270 49 R C -2.642 173.598 176.300 -0.100 0.000 1.074 49 R CA -2.026 54.134 56.100 0.099 0.000 1.140 49 R CB -0.283 30.047 30.300 0.049 0.000 1.073 49 R HN 0.421 nan 8.270 nan 0.000 0.527 50 P HA -0.109 nan 4.420 nan 0.000 0.262 50 P C -0.240 176.909 177.300 -0.251 0.000 1.182 50 P CA 0.365 62.884 63.100 -0.968 0.000 0.761 50 P CB 0.184 31.081 31.700 -1.338 0.000 0.795 51 W N 0.326 121.656 121.300 0.050 0.000 5.400 51 W HA -0.165 4.495 4.660 0.001 0.000 0.357 51 W C 0.693 177.333 176.519 0.201 0.000 1.291 51 W CA 0.761 58.209 57.345 0.171 0.000 0.911 51 W CB -2.448 27.144 29.460 0.220 0.000 2.382 51 W HN 0.488 nan 8.180 nan 0.000 1.557 52 G N 0.847 109.911 108.800 0.440 0.000 2.391 52 G HA2 0.174 4.135 3.960 0.001 0.000 0.234 52 G HA3 0.174 4.135 3.960 0.001 0.000 0.234 52 G C 0.830 175.878 174.900 0.247 0.000 1.284 52 G CA 0.303 45.631 45.100 0.381 0.000 0.873 52 G HN 0.295 nan 8.290 nan 0.000 0.549 53 M N 1.769 121.463 119.600 0.158 0.000 2.132 53 M HA -0.012 4.468 4.480 0.001 0.000 0.263 53 M C 0.226 176.647 176.300 0.201 0.000 1.065 53 M CA 1.085 56.473 55.300 0.146 0.000 1.122 53 M CB 0.018 32.682 32.600 0.107 0.000 1.365 53 M HN 0.415 nan 8.290 nan 0.000 0.411 54 N N 0.339 119.156 118.700 0.195 0.000 2.392 54 N HA 0.280 5.021 4.740 0.001 0.000 0.283 54 N C -1.552 174.077 175.510 0.198 0.000 1.003 54 N CA -0.271 52.817 53.050 0.063 0.000 0.892 54 N CB 1.135 39.701 38.487 0.132 0.000 1.193 54 N HN 0.016 nan 8.380 nan 0.000 0.487 55 F N 0.725 120.528 119.950 -0.244 0.000 2.397 55 F HA 0.480 5.007 4.527 0.001 0.000 0.331 55 F C 0.073 175.665 175.800 -0.348 0.000 1.090 55 F CA -1.250 56.682 58.000 -0.114 0.000 1.065 55 F CB 0.661 39.653 39.000 -0.014 0.000 1.184 55 F HN 0.301 nan 8.300 nan 0.000 0.499 56 W N 0.389 121.756 121.300 0.112 0.000 2.736 56 W HA 0.582 5.242 4.660 0.001 0.000 0.335 56 W C -0.288 176.206 176.519 -0.041 0.000 1.059 56 W CA -0.565 56.772 57.345 -0.013 0.000 1.226 56 W CB 2.190 31.622 29.460 -0.046 0.000 1.416 56 W HN 0.414 nan 8.180 nan 0.000 0.505 57 T N 3.681 118.308 114.554 0.123 0.000 2.932 57 T HA 0.441 4.792 4.350 0.001 0.000 0.318 57 T C -2.903 171.760 174.700 -0.060 0.000 1.265 57 T CA -2.024 60.054 62.100 -0.036 0.000 1.036 57 T CB 1.437 70.274 68.868 -0.052 0.000 1.209 57 T HN 0.083 nan 8.240 nan 0.000 0.484 58 P HA 0.142 nan 4.420 nan 0.000 0.268 58 P C -1.131 176.112 177.300 -0.095 0.000 1.204 58 P CA -0.076 62.869 63.100 -0.259 0.000 0.768 58 P CB 0.458 31.991 31.700 -0.278 0.000 0.842 59 Q N 1.914 121.583 119.800 -0.218 0.000 2.333 59 Q HA 0.293 4.634 4.340 0.001 0.000 0.265 59 Q C 0.578 176.477 176.000 -0.168 0.000 0.989 59 Q CA -0.398 55.332 55.803 -0.121 0.000 0.842 59 Q CB 1.019 29.691 28.738 -0.110 0.000 1.262 59 Q HN 0.519 nan 8.270 nan 0.000 0.451 60 T N -0.209 114.272 114.554 -0.122 0.000 3.015 60 T HA 0.285 4.635 4.350 0.001 0.000 0.250 60 T C 0.796 175.424 174.700 -0.120 0.000 1.057 60 T CA 0.327 62.324 62.100 -0.172 0.000 1.066 60 T CB 0.368 69.088 68.868 -0.247 0.000 0.959 60 T HN 0.502 nan 8.240 nan 0.000 0.488 61 G N 1.108 109.868 108.800 -0.067 0.000 2.504 61 G HA2 0.527 4.487 3.960 0.001 0.000 0.288 61 G HA3 0.527 4.487 3.960 0.001 0.000 0.288 61 G C -0.717 174.143 174.900 -0.067 0.000 1.182 61 G CA -0.900 44.175 45.100 -0.041 0.000 0.894 61 G HN 0.390 nan 8.290 nan 0.000 0.521 62 K N 0.374 120.732 120.400 -0.070 0.000 2.258 62 K HA 0.150 4.470 4.320 0.001 0.000 0.264 62 K C 0.809 177.342 176.600 -0.113 0.000 1.007 62 K CA -0.336 55.891 56.287 -0.101 0.000 0.941 62 K CB 1.071 33.515 32.500 -0.092 0.000 0.966 62 K HN 0.546 nan 8.250 nan 0.000 0.480 63 M N 1.684 121.160 119.600 -0.206 0.000 2.286 63 M HA -0.118 4.362 4.480 0.001 0.000 0.365 63 M C 0.757 176.965 176.300 -0.152 0.000 1.443 63 M CA 2.016 57.126 55.300 -0.316 0.000 0.951 63 M CB -0.285 31.928 32.600 -0.644 0.000 1.961 63 M HN 0.979 nan 8.290 nan 0.000 0.468 64 G N 3.079 111.850 108.800 -0.048 0.000 2.225 64 G HA2 -0.239 3.721 3.960 0.001 0.000 0.254 64 G HA3 -0.239 3.721 3.960 0.001 0.000 0.254 64 G C -0.112 174.801 174.900 0.020 0.000 0.988 64 G CA 0.248 45.352 45.100 0.006 0.000 0.625 64 G HN 0.807 nan 8.290 nan 0.000 0.527 65 D N 1.107 121.518 120.400 0.019 0.000 2.348 65 D HA 0.442 5.082 4.640 0.001 0.000 0.253 65 D C 1.726 178.070 176.300 0.074 0.000 1.161 65 D CA 0.682 54.725 54.000 0.073 0.000 0.876 65 D CB 0.788 41.632 40.800 0.074 0.000 1.160 65 D HN 0.184 nan 8.370 nan 0.000 0.459 66 G N 3.903 112.755 108.800 0.086 0.000 2.442 66 G HA2 -0.241 3.720 3.960 0.001 0.000 0.219 66 G HA3 -0.241 3.720 3.960 0.001 0.000 0.219 66 G C 0.772 175.495 174.900 -0.295 0.000 1.141 66 G CA -0.020 44.963 45.100 -0.195 0.000 0.763 66 G HN 0.618 nan 8.290 nan 0.000 0.554 67 W N 2.467 123.698 121.300 -0.115 0.000 1.828 67 W HA 0.194 4.854 4.660 0.001 0.000 0.470 67 W C 1.570 178.070 176.519 -0.031 0.000 0.786 67 W CA -0.193 57.113 57.345 -0.064 0.000 1.816 67 W CB -0.197 29.219 29.460 -0.073 0.000 1.798 67 W HN 0.568 nan 8.180 nan 0.000 0.252 68 Q N 1.103 120.939 119.800 0.060 0.000 2.245 68 Q HA -0.144 4.196 4.340 0.001 0.000 0.201 68 Q C -0.005 176.061 176.000 0.111 0.000 0.955 68 Q CA 1.070 56.890 55.803 0.028 0.000 0.870 68 Q CB 0.126 28.805 28.738 -0.098 0.000 0.945 68 Q HN 0.416 nan 8.270 nan 0.000 0.461 69 Y N 1.455 121.791 120.300 0.061 0.000 2.354 69 Y HA 0.366 4.917 4.550 0.001 0.000 0.330 69 Y C -1.310 174.708 175.900 0.197 0.000 1.011 69 Y CA -0.676 57.491 58.100 0.111 0.000 1.099 69 Y CB 2.051 40.584 38.460 0.122 0.000 1.179 69 Y HN 0.092 nan 8.280 nan 0.000 0.442 70 T N 1.920 116.428 114.554 -0.078 0.000 2.863 70 T HA 0.179 4.529 4.350 0.001 0.000 0.285 70 T C 0.150 174.832 174.700 -0.030 0.000 1.009 70 T CA -0.561 61.600 62.100 0.102 0.000 0.989 70 T CB 1.190 70.129 68.868 0.119 0.000 1.004 70 T HN 0.753 nan 8.240 nan 0.000 0.455 71 Y N 2.913 123.288 120.300 0.126 0.000 2.333 71 Y HA -0.100 4.450 4.550 0.001 0.000 0.290 71 Y C 2.553 178.561 175.900 0.180 0.000 1.144 71 Y CA 2.220 60.430 58.100 0.183 0.000 1.228 71 Y CB -0.149 38.381 38.460 0.117 0.000 0.985 71 Y HN 0.883 nan 8.280 nan 0.000 0.542 72 T N -1.808 112.828 114.554 0.137 0.000 3.100 72 T HA 0.363 4.714 4.350 0.001 0.000 0.253 72 T C 0.861 175.508 174.700 -0.089 0.000 1.118 72 T CA 0.176 62.303 62.100 0.045 0.000 1.058 72 T CB -0.505 68.406 68.868 0.072 0.000 0.953 72 T HN 0.320 nan 8.240 nan 0.000 0.515 73 A N 1.841 124.585 122.820 -0.127 0.000 2.425 73 A HA 0.435 4.755 4.320 0.001 0.000 0.242 73 A C 1.115 178.524 177.584 -0.291 0.000 1.077 73 A CA -0.558 51.365 52.037 -0.189 0.000 0.781 73 A CB 0.195 19.091 19.000 -0.173 0.000 1.020 73 A HN 0.307 nan 8.150 nan 0.000 0.494 74 N N 0.020 118.474 118.700 -0.409 0.000 2.322 74 N HA 0.077 4.818 4.740 0.001 0.000 0.181 74 N C -0.488 174.715 175.510 -0.512 0.000 1.088 74 N CA 0.733 53.351 53.050 -0.720 0.000 0.885 74 N CB 0.359 38.059 38.487 -1.312 0.000 1.013 74 N HN 0.622 nan 8.380 nan 0.000 0.472 75 K N 0.615 120.871 120.400 -0.241 0.000 2.443 75 K HA 0.466 4.786 4.320 0.001 0.000 0.252 75 K C -0.784 175.750 176.600 -0.110 0.000 0.933 75 K CA -0.499 55.708 56.287 -0.133 0.000 0.792 75 K CB 2.649 34.978 32.500 -0.286 0.000 1.185 75 K HN -0.148 nan 8.250 nan 0.000 0.425 76 I N 3.584 124.041 120.570 -0.189 0.000 2.365 76 I HA 0.207 4.377 4.170 0.001 0.000 0.291 76 I C 1.486 177.448 176.117 -0.258 0.000 1.004 76 I CA -0.197 60.888 61.300 -0.359 0.000 1.311 76 I CB 0.887 38.534 38.000 -0.587 0.000 1.401 76 I HN 0.670 nan 8.210 nan 0.000 0.491 77 R N 4.263 124.607 120.500 -0.260 0.000 2.404 77 R HA 0.481 4.822 4.340 0.001 0.000 0.237 77 R C 0.308 176.493 176.300 -0.191 0.000 0.907 77 R CA -0.098 55.891 56.100 -0.186 0.000 1.063 77 R CB 0.848 31.053 30.300 -0.159 0.000 1.134 77 R HN 0.707 nan 8.270 nan 0.000 0.529 78 G N 0.574 109.196 108.800 -0.297 0.000 2.466 78 G HA2 0.447 4.407 3.960 0.001 0.000 0.291 78 G HA3 0.447 4.407 3.960 0.001 0.000 0.291 78 G C -1.944 172.689 174.900 -0.446 0.000 1.460 78 G CA -0.881 44.080 45.100 -0.231 0.000 0.791 78 G HN 0.036 nan 8.290 nan 0.000 0.505 79 F N 1.008 121.008 119.950 0.083 0.000 2.403 79 F HA 0.594 5.121 4.527 0.001 0.000 0.355 79 F C 0.476 176.424 175.800 0.248 0.000 1.119 79 F CA -0.693 57.428 58.000 0.201 0.000 1.007 79 F CB 2.402 41.636 39.000 0.389 0.000 1.194 79 F HN 0.303 nan 8.300 nan 0.000 0.443 80 K N 3.394 123.910 120.400 0.194 0.000 2.221 80 K HA 0.313 4.634 4.320 0.001 0.000 0.258 80 K C -0.700 175.492 176.600 -0.681 0.000 0.944 80 K CA -0.689 55.468 56.287 -0.216 0.000 0.823 80 K CB 1.567 33.937 32.500 -0.218 0.000 1.113 80 K HN 0.700 nan 8.250 nan 0.000 0.431 81 Q N 2.474 121.340 119.800 -1.557 0.000 2.296 81 Q HA 0.100 4.440 4.340 0.001 0.000 0.262 81 Q C -1.134 174.215 176.000 -1.085 0.000 0.981 81 Q CA 0.323 54.962 55.803 -1.940 0.000 0.905 81 Q CB 1.199 28.673 28.738 -2.106 0.000 1.186 81 Q HN 0.633 nan 8.270 nan 0.000 0.399 82 T N 2.353 116.352 114.554 -0.925 0.000 2.903 82 T HA 0.385 4.735 4.350 0.001 0.000 0.299 82 T C -0.848 173.367 174.700 -0.809 0.000 1.093 82 T CA -0.499 61.195 62.100 -0.676 0.000 1.002 82 T CB 0.949 69.501 68.868 -0.527 0.000 1.127 82 T HN 0.782 nan 8.240 nan 0.000 0.488 83 H N 0.834 119.689 119.070 -0.358 0.000 2.923 83 H HA 0.358 4.915 4.556 0.001 0.000 0.268 83 H C 0.598 175.887 175.328 -0.065 0.000 1.148 83 H CA -0.359 55.472 56.048 -0.361 0.000 1.146 83 H CB 0.598 29.885 29.762 -0.792 0.000 1.607 83 H HN 0.453 nan 8.280 nan 0.000 0.566 84 Q N 3.470 123.322 119.800 0.086 0.000 2.274 84 Q HA 0.015 4.355 4.340 0.001 0.000 0.280 84 Q C -1.608 174.671 176.000 0.465 0.000 1.047 84 Q CA -1.362 54.568 55.803 0.212 0.000 0.907 84 Q CB 1.047 29.810 28.738 0.041 0.000 1.171 84 Q HN 0.206 nan 8.270 nan 0.000 0.381 85 P HA 0.024 nan 4.420 nan 0.000 0.228 85 P C -0.539 176.768 177.300 0.011 0.000 1.166 85 P CA 0.481 63.649 63.100 0.113 0.000 0.812 85 P CB 0.549 32.412 31.700 0.272 0.000 0.857 86 S N -2.117 113.611 115.700 0.047 0.000 2.567 86 S HA 0.416 4.886 4.470 0.001 0.000 0.270 86 S C -2.676 171.781 174.600 -0.238 0.000 1.152 86 S CA -1.146 57.025 58.200 -0.050 0.000 0.835 86 S CB 1.492 64.749 63.200 0.094 0.000 1.115 86 S HN -0.243 nan 8.310 nan 0.000 0.459 87 P HA 0.028 nan 4.420 nan 0.000 0.226 87 P C 0.542 177.364 177.300 -0.797 0.000 1.153 87 P CA 0.912 63.402 63.100 -1.017 0.000 0.777 87 P CB -0.204 30.199 31.700 -2.161 0.000 0.794 88 W N -0.285 120.869 121.300 -0.242 0.000 2.481 88 W HA 0.046 4.707 4.660 0.001 0.000 0.293 88 W C 2.300 178.731 176.519 -0.147 0.000 1.201 88 W CA -0.157 57.117 57.345 -0.119 0.000 1.328 88 W CB -0.925 28.490 29.460 -0.076 0.000 1.112 88 W HN -0.232 nan 8.180 nan 0.000 0.546 89 I N 0.141 120.699 120.570 -0.020 0.000 2.353 89 I HA -0.141 4.030 4.170 0.001 0.000 0.248 89 I C 1.243 177.323 176.117 -0.062 0.000 1.119 89 I CA 1.177 62.393 61.300 -0.141 0.000 1.417 89 I CB -1.561 36.251 38.000 -0.314 0.000 1.078 89 I HN 0.195 nan 8.210 nan 0.000 0.421 90 N N 0.755 119.419 118.700 -0.059 0.000 6.681 90 N HA -0.206 4.534 4.740 0.001 0.000 0.407 90 N C -0.356 175.181 175.510 0.045 0.000 0.934 90 N CA 0.980 54.011 53.050 -0.032 0.000 1.206 90 N CB -0.479 38.002 38.487 -0.010 0.000 0.835 90 N HN 0.200 nan 8.380 nan 0.000 0.310 91 D N -0.917 119.522 120.400 0.065 0.000 2.414 91 D HA 0.743 5.383 4.640 0.001 0.000 0.241 91 D C -0.807 175.621 176.300 0.213 0.000 1.008 91 D CA 0.030 54.081 54.000 0.087 0.000 1.001 91 D CB 0.958 41.754 40.800 -0.006 0.000 1.277 91 D HN 0.439 nan 8.370 nan 0.000 0.538 92 Y N -2.734 117.643 120.300 0.128 0.000 2.670 92 Y HA 0.502 5.052 4.550 0.001 0.000 0.334 92 Y C 0.287 176.431 175.900 0.408 0.000 1.185 92 Y CA -1.071 57.138 58.100 0.181 0.000 1.053 92 Y CB 0.840 39.283 38.460 -0.028 0.000 1.298 92 Y HN 0.517 nan 8.280 nan 0.000 0.459 93 G N 1.889 111.081 108.800 0.654 0.000 2.350 93 G HA2 -0.131 3.829 3.960 0.001 0.000 0.298 93 G HA3 -0.131 3.829 3.960 0.001 0.000 0.298 93 G C -0.795 174.250 174.900 0.242 0.000 1.037 93 G CA 0.352 45.786 45.100 0.556 0.000 1.074 93 G HN 0.978 nan 8.290 nan 0.000 0.511 94 Q N -0.826 118.991 119.800 0.029 0.000 2.340 94 Q HA 0.838 5.179 4.340 0.001 0.000 0.268 94 Q C -0.353 175.247 176.000 -0.666 0.000 1.031 94 Q CA -1.239 54.321 55.803 -0.405 0.000 0.804 94 Q CB 2.106 30.564 28.738 -0.467 0.000 1.286 94 Q HN 1.051 nan 8.270 nan 0.000 0.448 95 F N -0.985 118.421 119.950 -0.905 0.000 2.686 95 F HA 0.812 5.339 4.527 0.001 0.000 0.311 95 F C -1.369 174.124 175.800 -0.511 0.000 1.128 95 F CA -0.788 56.718 58.000 -0.824 0.000 0.946 95 F CB 1.465 40.062 39.000 -0.671 0.000 1.336 95 F HN 0.691 nan 8.300 nan 0.000 0.457 96 S N 1.850 117.486 115.700 -0.107 0.000 2.627 96 S HA 0.842 5.312 4.470 0.001 0.000 0.283 96 S C -1.625 173.062 174.600 0.145 0.000 1.127 96 S CA -0.752 57.443 58.200 -0.009 0.000 0.863 96 S CB 2.041 65.311 63.200 0.116 0.000 1.121 96 S HN 1.158 nan 8.310 nan 0.000 0.479 97 I N 1.318 121.971 120.570 0.138 0.000 2.608 97 I HA 0.749 4.920 4.170 0.001 0.000 0.295 97 I C -1.780 174.411 176.117 0.123 0.000 1.049 97 I CA -1.162 60.196 61.300 0.095 0.000 1.063 97 I CB 2.061 40.034 38.000 -0.046 0.000 1.248 97 I HN 0.886 nan 8.210 nan 0.000 0.424 98 M N 10.677 130.300 119.600 0.039 0.000 2.206 98 M HA 0.534 5.014 4.480 0.001 0.000 0.272 98 M C -2.894 173.322 176.300 -0.140 0.000 1.012 98 M CA -1.908 53.408 55.300 0.027 0.000 0.986 98 M CB 2.181 34.772 32.600 -0.015 0.000 1.740 98 M HN 0.134 nan 8.290 nan 0.000 0.472 99 P HA 0.505 nan 4.420 nan 0.000 0.285 99 P C -1.106 176.017 177.300 -0.295 0.000 1.259 99 P CA -0.234 62.646 63.100 -0.366 0.000 0.794 99 P CB 0.611 31.880 31.700 -0.719 0.000 0.940 100 I N -0.119 120.317 120.570 -0.223 0.000 3.343 100 I HA 0.793 4.964 4.170 0.001 0.000 0.315 100 I C -1.364 174.712 176.117 -0.068 0.000 1.153 100 I CA -1.427 59.564 61.300 -0.514 0.000 0.952 100 I CB 2.300 40.042 38.000 -0.430 0.000 1.287 100 I HN 0.054 nan 8.210 nan 0.000 0.472 101 V N 0.826 120.733 119.914 -0.012 0.000 3.049 101 V HA 0.823 4.944 4.120 0.001 0.000 0.309 101 V C 0.506 176.734 176.094 0.223 0.000 1.148 101 V CA 0.661 63.072 62.300 0.186 0.000 0.990 101 V CB 1.374 33.335 31.823 0.231 0.000 1.039 101 V HN 1.406 nan 8.190 nan 0.000 0.430 102 G N 3.360 112.301 108.800 0.235 0.000 3.076 102 G HA2 -0.134 3.826 3.960 0.001 0.000 0.256 102 G HA3 -0.134 3.826 3.960 0.001 0.000 0.256 102 G C -0.312 174.685 174.900 0.162 0.000 1.589 102 G CA -0.044 45.169 45.100 0.190 0.000 1.044 102 G HN 0.678 nan 8.290 nan 0.000 0.563 103 Q N 2.458 122.276 119.800 0.031 0.000 2.230 103 Q HA 0.485 4.825 4.340 0.001 0.000 0.248 103 Q C -2.288 173.492 176.000 -0.366 0.000 0.915 103 Q CA -1.652 54.070 55.803 -0.136 0.000 0.900 103 Q CB 1.667 30.340 28.738 -0.109 0.000 1.229 103 Q HN 0.467 nan 8.270 nan 0.000 0.439 104 P HA 0.060 nan 4.420 nan 0.000 0.268 104 P C -0.552 176.511 177.300 -0.395 0.000 1.541 104 P CA -0.127 62.405 63.100 -0.946 0.000 1.093 104 P CB 0.018 30.981 31.700 -1.228 0.000 1.551 105 V N 1.169 120.930 119.914 -0.256 0.000 2.417 105 V HA 0.392 4.513 4.120 0.001 0.000 0.291 105 V C 0.655 176.726 176.094 -0.037 0.000 1.024 105 V CA -0.654 61.582 62.300 -0.107 0.000 0.861 105 V CB 1.381 33.159 31.823 -0.075 0.000 0.985 105 V HN 0.228 nan 8.190 nan 0.000 0.436 106 F N 2.599 122.471 119.950 -0.129 0.000 2.387 106 F HA 0.268 4.796 4.527 0.001 0.000 0.294 106 F C 1.336 177.082 175.800 -0.090 0.000 1.093 106 F CA 0.326 58.260 58.000 -0.110 0.000 1.420 106 F CB 0.124 39.049 39.000 -0.125 0.000 1.086 106 F HN 0.801 nan 8.300 nan 0.000 0.531 107 D N 1.245 121.627 120.400 -0.030 0.000 2.586 107 D HA -0.131 4.510 4.640 0.001 0.000 0.234 107 D C 1.394 177.587 176.300 -0.177 0.000 1.132 107 D CA 0.655 54.603 54.000 -0.086 0.000 0.860 107 D CB 0.570 41.352 40.800 -0.030 0.000 1.159 107 D HN 0.609 nan 8.370 nan 0.000 0.490 108 E N 2.200 122.272 120.200 -0.212 0.000 2.267 108 E HA -0.285 4.066 4.350 0.001 0.000 0.197 108 E C 1.311 177.828 176.600 -0.138 0.000 0.998 108 E CA 0.963 57.238 56.400 -0.209 0.000 0.830 108 E CB 0.070 29.646 29.700 -0.207 0.000 0.751 108 E HN 0.578 nan 8.360 nan 0.000 0.491 109 E N 1.304 121.442 120.200 -0.103 0.000 2.060 109 E HA -0.044 4.307 4.350 0.001 0.000 0.189 109 E C 1.784 178.350 176.600 -0.055 0.000 0.974 109 E CA 1.088 57.441 56.400 -0.078 0.000 0.808 109 E CB 0.105 29.767 29.700 -0.063 0.000 0.768 109 E HN 0.160 nan 8.360 nan 0.000 0.453 110 K N 0.121 120.494 120.400 -0.045 0.000 2.211 110 K HA -0.099 4.222 4.320 0.001 0.000 0.203 110 K C 2.089 178.695 176.600 0.008 0.000 1.050 110 K CA 1.389 57.665 56.287 -0.019 0.000 0.945 110 K CB -0.050 32.437 32.500 -0.021 0.000 0.732 110 K HN 0.125 nan 8.250 nan 0.000 0.451 111 R N 0.081 120.571 120.500 -0.018 0.000 2.275 111 R HA 0.190 4.531 4.340 0.001 0.000 0.199 111 R C 0.385 176.757 176.300 0.120 0.000 0.989 111 R CA 0.251 56.368 56.100 0.029 0.000 1.016 111 R CB 0.025 30.279 30.300 -0.077 0.000 0.918 111 R HN -0.071 nan 8.270 nan 0.000 0.473 112 A N 1.505 124.342 122.820 0.028 0.000 2.425 112 A HA 0.317 4.638 4.320 0.001 0.000 0.242 112 A C -0.223 177.363 177.584 0.004 0.000 1.077 112 A CA 0.027 52.060 52.037 -0.006 0.000 0.781 112 A CB 0.764 19.717 19.000 -0.078 0.000 1.020 112 A HN 0.381 nan 8.150 nan 0.000 0.494 113 S N 0.784 116.475 115.700 -0.015 0.000 2.571 113 S HA 0.497 4.967 4.470 0.001 0.000 0.284 113 S C -0.900 173.746 174.600 0.078 0.000 1.128 113 S CA -0.566 57.618 58.200 -0.026 0.000 0.970 113 S CB 0.277 63.434 63.200 -0.072 0.000 1.039 113 S HN 0.592 nan 8.310 nan 0.000 0.485 114 W N 4.278 125.565 121.300 -0.022 0.000 2.364 114 W HA 0.331 4.991 4.660 0.001 0.000 0.343 114 W C 0.216 176.825 176.519 0.150 0.000 1.237 114 W CA 0.747 58.113 57.345 0.035 0.000 1.319 114 W CB 0.299 29.741 29.460 -0.029 0.000 1.179 114 W HN 0.604 nan 8.180 nan 0.000 0.578 115 F N 0.693 120.751 119.950 0.180 0.000 2.741 115 F HA 0.849 5.377 4.527 0.001 0.000 0.313 115 F C -1.274 174.565 175.800 0.064 0.000 1.153 115 F CA -1.890 56.175 58.000 0.108 0.000 0.931 115 F CB 0.535 39.551 39.000 0.027 0.000 1.335 115 F HN 0.443 nan 8.300 nan 0.000 0.460 116 A N 0.337 122.988 122.820 -0.282 0.000 2.498 116 A HA 0.555 4.875 4.320 0.001 0.000 0.298 116 A C -0.030 177.372 177.584 -0.303 0.000 1.075 116 A CA -0.721 51.003 52.037 -0.521 0.000 0.714 116 A CB 0.633 19.543 19.000 -0.150 0.000 1.299 116 A HN 0.986 nan 8.150 nan 0.000 0.407 117 H N 0.768 119.748 119.070 -0.150 0.000 2.457 117 H HA -0.078 4.478 4.556 0.001 0.000 0.297 117 H C 1.022 176.416 175.328 0.110 0.000 1.092 117 H CA 1.836 57.923 56.048 0.066 0.000 1.309 117 H CB 0.151 29.939 29.762 0.042 0.000 1.382 117 H HN 0.665 nan 8.280 nan 0.000 0.535 118 K N 0.250 120.740 120.400 0.151 0.000 2.439 118 K HA 0.003 4.324 4.320 0.001 0.000 0.197 118 K C 1.618 178.280 176.600 0.103 0.000 1.041 118 K CA 0.637 56.994 56.287 0.117 0.000 0.970 118 K CB 0.337 32.886 32.500 0.080 0.000 0.773 118 K HN 0.167 nan 8.250 nan 0.000 0.479 119 G N 1.042 109.922 108.800 0.134 0.000 3.820 119 G HA2 0.015 3.976 3.960 0.001 0.000 0.293 119 G HA3 0.015 3.976 3.960 0.001 0.000 0.293 119 G C -0.662 174.348 174.900 0.184 0.000 1.152 119 G CA -0.206 44.991 45.100 0.161 0.000 0.921 119 G HN 0.122 nan 8.290 nan 0.000 0.544 120 E N 0.199 120.488 120.200 0.150 0.000 2.292 120 E HA 0.534 4.884 4.350 0.001 0.000 0.272 120 E C -1.663 174.934 176.600 -0.006 0.000 0.881 120 E CA -0.569 55.881 56.400 0.083 0.000 0.754 120 E CB 2.749 32.625 29.700 0.292 0.000 1.201 120 E HN -0.094 nan 8.360 nan 0.000 0.425 121 V N 2.534 122.330 119.914 -0.197 0.000 2.443 121 V HA 0.673 4.794 4.120 0.001 0.000 0.293 121 V C -0.643 175.297 176.094 -0.256 0.000 1.021 121 V CA -0.604 61.615 62.300 -0.136 0.000 0.848 121 V CB 1.272 33.078 31.823 -0.028 0.000 0.998 121 V HN 0.731 nan 8.190 nan 0.000 0.424 122 A N 3.727 126.495 122.820 -0.086 0.000 2.319 122 A HA 0.926 5.246 4.320 0.001 0.000 0.310 122 A C 0.030 177.538 177.584 -0.127 0.000 1.152 122 A CA -0.269 51.759 52.037 -0.015 0.000 0.783 122 A CB 1.423 20.526 19.000 0.172 0.000 1.184 122 A HN 0.935 nan 8.150 nan 0.000 0.474 123 T N -0.512 113.893 114.554 -0.248 0.000 2.887 123 T HA 0.692 5.043 4.350 0.001 0.000 0.292 123 T C -2.591 171.788 174.700 -0.535 0.000 1.087 123 T CA -1.786 60.027 62.100 -0.479 0.000 1.009 123 T CB 1.708 70.083 68.868 -0.821 0.000 1.203 123 T HN 0.107 nan 8.240 nan 0.000 0.518 124 P HA 0.059 nan 4.420 nan 0.000 0.226 124 P C 0.516 177.722 177.300 -0.158 0.000 1.153 124 P CA 0.690 63.419 63.100 -0.619 0.000 0.777 124 P CB -0.350 30.536 31.700 -1.356 0.000 0.794 125 Y N -4.549 115.729 120.300 -0.036 0.000 2.453 125 Y HA 0.487 5.037 4.550 0.001 0.000 0.247 125 Y C 0.074 176.069 175.900 0.158 0.000 1.124 125 Y CA -1.112 57.070 58.100 0.136 0.000 1.243 125 Y CB 0.052 38.623 38.460 0.185 0.000 1.213 125 Y HN -0.186 nan 8.280 nan 0.000 0.523 126 Y N 0.533 120.634 120.300 -0.333 0.000 2.474 126 Y HA 0.495 5.045 4.550 0.001 0.000 0.326 126 Y C -2.457 173.339 175.900 -0.173 0.000 1.160 126 Y CA -2.248 55.725 58.100 -0.211 0.000 1.056 126 Y CB 1.189 39.529 38.460 -0.199 0.000 1.330 126 Y HN 0.065 nan 8.280 nan 0.000 0.447 127 Y N 5.961 125.804 120.300 -0.761 0.000 2.457 127 Y HA 0.638 5.188 4.550 0.001 0.000 0.343 127 Y C -1.615 173.826 175.900 -0.766 0.000 0.994 127 Y CA -0.865 56.884 58.100 -0.584 0.000 1.031 127 Y CB 1.626 39.922 38.460 -0.274 0.000 1.246 127 Y HN 0.709 nan 8.280 nan 0.000 0.449 128 K N 5.151 124.914 120.400 -1.061 0.000 2.464 128 K HA 0.806 5.126 4.320 0.001 0.000 0.253 128 K C -2.478 173.777 176.600 -0.574 0.000 0.933 128 K CA -0.841 55.055 56.287 -0.653 0.000 0.801 128 K CB 2.311 34.581 32.500 -0.385 0.000 1.271 128 K HN 0.563 nan 8.250 nan 0.000 0.430 129 V N 4.274 124.081 119.914 -0.179 0.000 2.969 129 V HA 0.376 4.497 4.120 0.001 0.000 0.304 129 V C -1.974 174.237 176.094 0.194 0.000 1.192 129 V CA -0.743 61.581 62.300 0.041 0.000 0.962 129 V CB 1.804 33.727 31.823 0.167 0.000 1.045 129 V HN 0.808 nan 8.190 nan 0.000 0.428 130 Y N 6.238 126.610 120.300 0.120 0.000 2.383 130 Y HA 0.595 5.145 4.550 0.001 0.000 0.344 130 Y C -0.238 175.780 175.900 0.197 0.000 0.986 130 Y CA -0.518 57.664 58.100 0.136 0.000 1.175 130 Y CB 1.042 39.566 38.460 0.108 0.000 1.152 130 Y HN 0.569 nan 8.280 nan 0.000 0.511 131 L N 7.784 128.822 121.223 -0.308 0.000 2.302 131 L HA 0.334 4.674 4.340 0.001 0.000 0.285 131 L C 1.224 177.798 176.870 -0.493 0.000 1.090 131 L CA -0.179 54.542 54.840 -0.199 0.000 0.866 131 L CB 0.742 42.815 42.059 0.023 0.000 1.244 131 L HN 0.909 nan 8.230 nan 0.000 0.435 132 A N 2.356 125.005 122.820 -0.285 0.000 2.067 132 A HA -0.101 4.220 4.320 0.001 0.000 0.219 132 A C 1.895 179.411 177.584 -0.113 0.000 1.158 132 A CA 1.151 53.081 52.037 -0.179 0.000 0.661 132 A CB -0.135 18.942 19.000 0.129 0.000 0.801 132 A HN 0.798 nan 8.150 nan 0.000 0.452 133 E N -1.450 118.654 120.200 -0.161 0.000 2.447 133 E HA -0.008 4.343 4.350 0.001 0.000 0.195 133 E C 0.713 177.100 176.600 -0.355 0.000 1.028 133 E CA 0.230 56.487 56.400 -0.238 0.000 0.876 133 E CB 0.085 29.633 29.700 -0.253 0.000 0.885 133 E HN 0.724 nan 8.360 nan 0.000 0.500 134 H N -0.591 118.464 119.070 -0.026 0.000 2.986 134 H HA 0.053 4.609 4.556 0.001 0.000 0.267 134 H C 0.020 175.350 175.328 0.003 0.000 1.072 134 H CA 0.299 56.351 56.048 0.007 0.000 1.202 134 H CB 0.680 30.452 29.762 0.017 0.000 1.535 134 H HN 0.063 nan 8.280 nan 0.000 0.522 135 D N 0.929 121.327 120.400 -0.003 0.000 2.723 135 D HA -0.172 4.468 4.640 0.001 0.000 0.236 135 D C -0.708 175.634 176.300 0.069 0.000 1.138 135 D CA 0.297 54.322 54.000 0.042 0.000 0.676 135 D CB -1.651 39.251 40.800 0.170 0.000 1.069 135 D HN 0.406 nan 8.370 nan 0.000 0.430 136 I N -0.085 120.439 120.570 -0.077 0.000 2.509 136 I HA 0.373 4.543 4.170 0.001 0.000 0.293 136 I C 0.344 176.453 176.117 -0.014 0.000 1.020 136 I CA -1.253 60.021 61.300 -0.043 0.000 1.088 136 I CB 2.094 40.019 38.000 -0.125 0.000 1.267 136 I HN -0.220 nan 8.210 nan 0.000 0.430 137 V N 4.735 124.702 119.914 0.088 0.000 2.439 137 V HA 0.367 4.487 4.120 0.001 0.000 0.282 137 V C 0.112 176.243 176.094 0.061 0.000 1.039 137 V CA -0.201 62.180 62.300 0.134 0.000 0.913 137 V CB 1.595 33.517 31.823 0.166 0.000 0.983 137 V HN 0.734 nan 8.190 nan 0.000 0.460 138 T N 5.585 120.170 114.554 0.051 0.000 2.797 138 T HA 0.543 4.894 4.350 0.001 0.000 0.279 138 T C -0.519 174.084 174.700 -0.162 0.000 0.991 138 T CA -0.649 61.426 62.100 -0.043 0.000 0.979 138 T CB 1.045 69.785 68.868 -0.213 0.000 0.943 138 T HN 0.865 nan 8.240 nan 0.000 0.444 139 E N 3.338 123.393 120.200 -0.240 0.000 2.288 139 E HA 0.747 5.097 4.350 0.001 0.000 0.268 139 E C -1.016 175.299 176.600 -0.475 0.000 0.885 139 E CA -1.232 54.959 56.400 -0.347 0.000 0.767 139 E CB 2.413 31.962 29.700 -0.250 0.000 1.220 139 E HN 0.674 nan 8.360 nan 0.000 0.427 140 M N -0.253 119.011 119.600 -0.561 0.000 2.433 140 M HA 0.551 5.031 4.480 0.001 0.000 0.290 140 M C -1.384 174.644 176.300 -0.453 0.000 1.173 140 M CA -0.698 54.143 55.300 -0.765 0.000 0.905 140 M CB 2.496 34.337 32.600 -1.265 0.000 1.692 140 M HN 0.484 nan 8.290 nan 0.000 0.462 141 T N 0.346 114.673 114.554 -0.378 0.000 2.965 141 T HA 0.702 5.052 4.350 0.001 0.000 0.306 141 T C -3.125 171.476 174.700 -0.164 0.000 0.991 141 T CA -1.327 60.696 62.100 -0.128 0.000 1.001 141 T CB 1.579 70.466 68.868 0.031 0.000 0.984 141 T HN 0.599 nan 8.240 nan 0.000 0.446 142 P HA 0.402 nan 4.420 nan 0.000 0.284 142 P C 0.216 177.558 177.300 0.070 0.000 1.258 142 P CA -0.262 62.821 63.100 -0.028 0.000 0.824 142 P CB 1.577 33.334 31.700 0.094 0.000 1.038 143 T N -2.142 112.459 114.554 0.078 0.000 2.906 143 T HA 0.273 4.623 4.350 0.001 0.000 0.283 143 T C 1.238 176.027 174.700 0.149 0.000 1.098 143 T CA -0.297 61.864 62.100 0.102 0.000 0.960 143 T CB 0.101 69.015 68.868 0.077 0.000 1.776 143 T HN 0.318 nan 8.240 nan 0.000 0.594 144 E N 0.201 120.479 120.200 0.130 0.000 2.106 144 E HA -0.027 4.324 4.350 0.001 0.000 0.192 144 E C 2.020 178.721 176.600 0.169 0.000 0.984 144 E CA 0.861 57.348 56.400 0.145 0.000 0.806 144 E CB 0.038 29.794 29.700 0.094 0.000 0.750 144 E HN 0.454 nan 8.360 nan 0.000 0.458 145 R N -1.352 119.242 120.500 0.158 0.000 2.544 145 R HA 0.338 4.679 4.340 0.001 0.000 0.303 145 R C -0.085 176.349 176.300 0.223 0.000 0.939 145 R CA -0.019 56.184 56.100 0.172 0.000 1.102 145 R CB 1.594 31.958 30.300 0.107 0.000 1.440 145 R HN -0.065 nan 8.270 nan 0.000 0.532 146 A N 0.532 123.470 122.820 0.196 0.000 2.437 146 A HA 0.830 5.151 4.320 0.001 0.000 0.292 146 A C -1.375 176.251 177.584 0.070 0.000 1.173 146 A CA -0.659 51.478 52.037 0.167 0.000 0.785 146 A CB 2.210 21.273 19.000 0.105 0.000 1.351 146 A HN -0.060 nan 8.150 nan 0.000 0.431 147 V N -0.176 119.692 119.914 -0.076 0.000 3.077 147 V HA 0.588 4.709 4.120 0.001 0.000 0.299 147 V C -2.129 173.782 176.094 -0.305 0.000 1.276 147 V CA -0.530 61.565 62.300 -0.340 0.000 0.993 147 V CB 1.935 33.199 31.823 -0.932 0.000 1.076 147 V HN 1.199 nan 8.190 nan 0.000 0.434 148 L N 5.886 126.905 121.223 -0.340 0.000 2.296 148 L HA 0.710 5.051 4.340 0.001 0.000 0.286 148 L C -1.116 175.465 176.870 -0.482 0.000 1.023 148 L CA 0.231 54.903 54.840 -0.279 0.000 0.812 148 L CB 1.118 43.077 42.059 -0.168 0.000 1.223 148 L HN 0.576 nan 8.230 nan 0.000 0.421 149 F N 4.391 124.086 119.950 -0.425 0.000 2.422 149 F HA 0.606 5.133 4.527 0.001 0.000 0.333 149 F C 0.346 175.764 175.800 -0.636 0.000 1.095 149 F CA -0.329 57.290 58.000 -0.635 0.000 1.038 149 F CB 1.363 39.848 39.000 -0.858 0.000 1.156 149 F HN 0.410 nan 8.300 nan 0.000 0.483 150 R N 3.816 124.034 120.500 -0.471 0.000 2.476 150 R HA 0.491 4.831 4.340 0.001 0.000 0.305 150 R C -2.044 174.035 176.300 -0.368 0.000 0.965 150 R CA -0.475 55.423 56.100 -0.337 0.000 0.867 150 R CB 0.771 30.991 30.300 -0.133 0.000 1.176 150 R HN 0.578 nan 8.270 nan 0.000 0.447 151 F N 2.435 122.411 119.950 0.043 0.000 2.411 151 F HA 0.311 4.839 4.527 0.001 0.000 0.352 151 F C 0.266 175.982 175.800 -0.140 0.000 1.123 151 F CA -0.881 57.037 58.000 -0.136 0.000 1.044 151 F CB 2.394 41.255 39.000 -0.233 0.000 1.135 151 F HN 0.300 nan 8.300 nan 0.000 0.461 152 T N 4.685 119.242 114.554 0.005 0.000 2.811 152 T HA 0.340 4.690 4.350 0.001 0.000 0.309 152 T C -0.315 174.391 174.700 0.009 0.000 1.005 152 T CA -0.298 61.837 62.100 0.060 0.000 0.955 152 T CB -0.295 68.624 68.868 0.086 0.000 0.970 152 T HN 0.158 nan 8.240 nan 0.000 0.496 153 F N 5.077 125.126 119.950 0.165 0.000 2.370 153 F HA 0.431 4.958 4.527 0.001 0.000 0.324 153 F C -1.497 174.373 175.800 0.116 0.000 1.116 153 F CA -2.078 56.008 58.000 0.142 0.000 1.123 153 F CB 0.795 39.879 39.000 0.141 0.000 1.238 153 F HN 0.319 nan 8.300 nan 0.000 0.536 154 P HA 0.086 nan 4.420 nan 0.000 0.284 154 P C -1.194 176.208 177.300 0.171 0.000 1.292 154 P CA -0.652 62.575 63.100 0.211 0.000 0.800 154 P CB 0.586 32.397 31.700 0.186 0.000 1.188 155 E N 1.118 121.383 120.200 0.109 0.000 2.351 155 E HA 0.081 4.432 4.350 0.001 0.000 0.266 155 E C -0.608 176.020 176.600 0.046 0.000 1.031 155 E CA 0.106 56.543 56.400 0.063 0.000 0.911 155 E CB -0.173 29.553 29.700 0.044 0.000 0.986 155 E HN 0.279 nan 8.360 nan 0.000 0.446 156 N N 3.591 122.294 118.700 0.004 0.000 2.815 156 N HA 0.027 4.768 4.740 0.001 0.000 0.253 156 N C -0.937 174.489 175.510 -0.140 0.000 1.202 156 N CA -0.463 52.565 53.050 -0.036 0.000 0.925 156 N CB 1.649 40.145 38.487 0.014 0.000 1.622 156 N HN 0.386 nan 8.380 nan 0.000 0.497 157 D N -0.282 119.969 120.400 -0.248 0.000 2.277 157 D HA 0.027 4.667 4.640 0.001 0.000 0.208 157 D C -0.268 175.612 176.300 -0.700 0.000 0.962 157 D CA 1.361 55.067 54.000 -0.490 0.000 0.865 157 D CB 0.139 40.539 40.800 -0.666 0.000 0.939 157 D HN 0.369 nan 8.370 nan 0.000 0.510 158 H N -0.196 118.757 119.070 -0.196 0.000 2.569 158 H HA 0.406 4.963 4.556 0.001 0.000 0.247 158 H C -0.548 174.446 175.328 -0.557 0.000 1.346 158 H CA -0.307 55.493 56.048 -0.413 0.000 1.502 158 H CB 0.404 30.082 29.762 -0.140 0.000 1.512 158 H HN -0.210 nan 8.280 nan 0.000 0.502 159 S N 2.256 117.562 115.700 -0.656 0.000 2.489 159 S HA 0.572 5.043 4.470 0.001 0.000 0.291 159 S C -0.659 173.308 174.600 -1.054 0.000 1.151 159 S CA -0.451 57.386 58.200 -0.605 0.000 1.082 159 S CB 0.871 63.716 63.200 -0.591 0.000 1.019 159 S HN 0.352 nan 8.310 nan 0.000 0.492 160 Y N 0.270 120.356 120.300 -0.357 0.000 2.576 160 Y HA 0.636 5.187 4.550 0.001 0.000 0.346 160 Y C -0.358 175.385 175.900 -0.260 0.000 1.018 160 Y CA -1.122 56.715 58.100 -0.438 0.000 1.050 160 Y CB 1.310 39.569 38.460 -0.335 0.000 1.280 160 Y HN 0.283 nan 8.280 nan 0.000 0.474 161 V N 2.482 122.318 119.914 -0.129 0.000 2.540 161 V HA 0.507 4.627 4.120 0.001 0.000 0.302 161 V C -0.845 175.236 176.094 -0.022 0.000 1.035 161 V CA -0.927 61.326 62.300 -0.078 0.000 0.873 161 V CB 1.763 33.585 31.823 -0.002 0.000 0.992 161 V HN 0.533 nan 8.190 nan 0.000 0.428 162 V N 5.332 125.243 119.914 -0.005 0.000 2.370 162 V HA 0.455 4.575 4.120 0.001 0.000 0.283 162 V C -0.149 176.021 176.094 0.127 0.000 1.023 162 V CA -0.551 61.782 62.300 0.056 0.000 0.857 162 V CB 1.757 33.568 31.823 -0.019 0.000 0.985 162 V HN 0.605 nan 8.190 nan 0.000 0.443 163 V N 3.965 124.012 119.914 0.221 0.000 2.370 163 V HA 0.440 4.560 4.120 0.001 0.000 0.283 163 V C -0.428 175.903 176.094 0.396 0.000 1.023 163 V CA -0.399 62.069 62.300 0.281 0.000 0.857 163 V CB 1.779 33.782 31.823 0.299 0.000 0.985 163 V HN 0.885 nan 8.190 nan 0.000 0.443 164 D N 3.988 124.617 120.400 0.381 0.000 2.453 164 D HA 0.509 5.149 4.640 0.001 0.000 0.238 164 D C 0.484 177.134 176.300 0.583 0.000 1.088 164 D CA -0.392 53.928 54.000 0.533 0.000 0.854 164 D CB 2.130 43.126 40.800 0.326 0.000 1.076 164 D HN 0.558 nan 8.370 nan 0.000 0.533 165 A N 3.926 127.106 122.820 0.599 0.000 2.278 165 A HA 0.295 4.615 4.320 0.001 0.000 0.212 165 A C 0.354 178.277 177.584 0.566 0.000 1.213 165 A CA -0.057 52.293 52.037 0.522 0.000 0.840 165 A CB -0.534 18.763 19.000 0.495 0.000 0.866 165 A HN 0.541 nan 8.150 nan 0.000 0.489 166 F N -0.643 119.450 119.950 0.239 0.000 2.183 166 F HA -0.183 4.345 4.527 0.001 0.000 0.318 166 F C 0.534 176.160 175.800 -0.290 0.000 0.132 166 F CA 0.495 58.435 58.000 -0.100 0.000 0.912 166 F CB -1.039 37.965 39.000 0.007 0.000 4.135 166 F HN 0.577 nan 8.300 nan 0.000 0.137 167 D N 0.061 120.332 120.400 -0.215 0.000 2.589 167 D HA 0.408 5.048 4.640 0.001 0.000 0.268 167 D C 0.102 176.444 176.300 0.070 0.000 1.182 167 D CA 0.132 54.046 54.000 -0.143 0.000 1.087 167 D CB 0.504 41.172 40.800 -0.220 0.000 1.186 167 D HN 0.477 nan 8.370 nan 0.000 0.620 168 K N -1.351 119.096 120.400 0.079 0.000 3.281 168 K HA -0.042 4.279 4.320 0.001 0.000 0.295 168 K C 0.365 177.050 176.600 0.141 0.000 1.233 168 K CA 1.087 57.439 56.287 0.108 0.000 0.866 168 K CB -2.307 30.263 32.500 0.115 0.000 1.265 168 K HN 1.375 nan 8.250 nan 0.000 0.482 169 G N -0.019 108.873 108.800 0.154 0.000 3.373 169 G HA2 0.110 4.071 3.960 0.001 0.000 0.685 169 G HA3 0.110 4.071 3.960 0.001 0.000 0.685 169 G C -0.286 174.761 174.900 0.244 0.000 1.166 169 G CA 0.027 45.238 45.100 0.185 0.000 1.063 169 G HN 0.904 nan 8.290 nan 0.000 0.481 170 S N 1.064 116.886 115.700 0.203 0.000 2.776 170 S HA 0.901 5.371 4.470 0.001 0.000 0.292 170 S C -1.049 173.484 174.600 -0.112 0.000 1.187 170 S CA -0.892 57.388 58.200 0.133 0.000 0.834 170 S CB 2.694 66.013 63.200 0.198 0.000 1.199 170 S HN 2.109 nan 8.310 nan 0.000 0.514 171 Y N -0.288 119.675 120.300 -0.562 0.000 2.544 171 Y HA 0.823 5.374 4.550 0.001 0.000 0.342 171 Y C -1.954 173.735 175.900 -0.351 0.000 1.062 171 Y CA -1.070 56.660 58.100 -0.615 0.000 1.023 171 Y CB 1.513 39.225 38.460 -1.247 0.000 1.308 171 Y HN 1.001 nan 8.280 nan 0.000 0.457 172 I N 4.722 124.690 120.570 -1.002 0.000 2.722 172 I HA 0.500 4.671 4.170 0.001 0.000 0.292 172 I C -1.968 173.641 176.117 -0.846 0.000 1.267 172 I CA -0.396 60.473 61.300 -0.719 0.000 1.036 172 I CB 1.957 39.795 38.000 -0.270 0.000 1.281 172 I HN 0.663 nan 8.210 nan 0.000 0.423 173 K N 7.663 127.710 120.400 -0.587 0.000 2.553 173 K HA 0.608 4.928 4.320 0.001 0.000 0.250 173 K C -1.814 174.681 176.600 -0.176 0.000 0.953 173 K CA -0.534 55.534 56.287 -0.366 0.000 0.800 173 K CB 1.403 33.701 32.500 -0.337 0.000 1.243 173 K HN 0.584 nan 8.250 nan 0.000 0.435 174 I N 5.681 126.182 120.570 -0.114 0.000 2.342 174 I HA 0.294 4.464 4.170 0.001 0.000 0.291 174 I C -0.055 176.086 176.117 0.040 0.000 1.010 174 I CA -0.647 60.637 61.300 -0.026 0.000 1.308 174 I CB 1.100 39.050 38.000 -0.083 0.000 1.400 174 I HN 0.466 nan 8.210 nan 0.000 0.488 175 I N 8.444 129.093 120.570 0.131 0.000 2.503 175 I HA 0.228 4.398 4.170 0.001 0.000 0.277 175 I C -1.740 174.499 176.117 0.204 0.000 1.078 175 I CA -1.550 59.822 61.300 0.119 0.000 1.184 175 I CB 0.855 38.893 38.000 0.063 0.000 1.353 175 I HN 0.360 nan 8.210 nan 0.000 0.490 176 P HA -0.184 nan 4.420 nan 0.000 0.216 176 P C 1.037 178.337 177.300 0.001 0.000 1.153 176 P CA 1.440 64.651 63.100 0.185 0.000 0.858 176 P CB 0.236 32.025 31.700 0.148 0.000 0.789 177 E N -0.209 120.001 120.200 0.017 0.000 2.267 177 E HA -0.170 4.181 4.350 0.001 0.000 0.197 177 E C 1.247 177.832 176.600 -0.025 0.000 0.998 177 E CA 1.077 57.469 56.400 -0.012 0.000 0.830 177 E CB -0.658 29.042 29.700 0.000 0.000 0.751 177 E HN 0.477 nan 8.360 nan 0.000 0.491 178 E N -0.083 120.115 120.200 -0.004 0.000 2.603 178 E HA 0.141 4.492 4.350 0.001 0.000 0.211 178 E C -0.524 176.076 176.600 -0.000 0.000 0.995 178 E CA -0.277 56.125 56.400 0.004 0.000 0.990 178 E CB 0.340 30.061 29.700 0.035 0.000 1.036 178 E HN 0.073 nan 8.360 nan 0.000 0.475 179 N N 2.086 120.710 118.700 -0.127 0.000 2.714 179 N HA -0.215 4.525 4.740 0.001 0.000 0.252 179 N C -0.692 175.039 175.510 0.368 0.000 1.014 179 N CA 1.157 54.030 53.050 -0.296 0.000 0.735 179 N CB -0.871 37.467 38.487 -0.248 0.000 0.924 179 N HN 0.254 nan 8.380 nan 0.000 0.540 180 K N 0.382 121.072 120.400 0.483 0.000 2.371 180 K HA 0.628 4.948 4.320 0.001 0.000 0.251 180 K C -0.740 176.105 176.600 0.408 0.000 0.934 180 K CA -0.608 55.926 56.287 0.411 0.000 0.798 180 K CB 1.389 34.008 32.500 0.198 0.000 1.204 180 K HN 0.076 nan 8.250 nan 0.000 0.427 181 I N 6.112 126.893 120.570 0.352 0.000 2.436 181 I HA 0.399 4.570 4.170 0.001 0.000 0.289 181 I C -0.144 176.065 176.117 0.154 0.000 1.010 181 I CA -0.935 60.498 61.300 0.222 0.000 1.098 181 I CB 1.624 39.792 38.000 0.281 0.000 1.266 181 I HN 0.578 nan 8.210 nan 0.000 0.434 182 I N 2.558 123.120 120.570 -0.014 0.000 2.910 182 I HA 1.077 5.247 4.170 0.001 0.000 0.310 182 I C -0.075 175.832 176.117 -0.350 0.000 1.043 182 I CA -0.382 60.832 61.300 -0.144 0.000 1.053 182 I CB 2.329 40.134 38.000 -0.326 0.000 1.242 182 I HN 0.634 nan 8.210 nan 0.000 0.452 183 G N 2.130 110.573 108.800 -0.596 0.000 2.342 183 G HA2 0.486 4.447 3.960 0.001 0.000 0.297 183 G HA3 0.486 4.447 3.960 0.001 0.000 0.297 183 G C -2.149 172.271 174.900 -0.799 0.000 1.313 183 G CA -0.504 44.151 45.100 -0.741 0.000 0.830 183 G HN 1.064 nan 8.290 nan 0.000 0.506 184 Y N -1.560 118.520 120.300 -0.366 0.000 2.553 184 Y HA 0.876 5.426 4.550 0.001 0.000 0.347 184 Y C -0.342 175.550 175.900 -0.012 0.000 1.019 184 Y CA -1.334 56.550 58.100 -0.361 0.000 1.032 184 Y CB 1.807 39.937 38.460 -0.550 0.000 1.284 184 Y HN 0.759 nan 8.280 nan 0.000 0.466 185 T N 0.359 115.095 114.554 0.302 0.000 2.887 185 T HA 0.507 4.858 4.350 0.001 0.000 0.288 185 T C 0.323 175.137 174.700 0.189 0.000 1.021 185 T CA 0.148 62.433 62.100 0.309 0.000 1.000 185 T CB 1.214 70.266 68.868 0.305 0.000 1.034 185 T HN 1.125 nan 8.240 nan 0.000 0.467 186 T N 0.983 115.697 114.554 0.266 0.000 2.986 186 T HA 0.315 4.666 4.350 0.001 0.000 0.264 186 T C 0.791 175.752 174.700 0.435 0.000 0.964 186 T CA -0.395 61.888 62.100 0.305 0.000 0.895 186 T CB -0.079 68.928 68.868 0.231 0.000 1.163 186 T HN 0.589 nan 8.240 nan 0.000 0.517 187 R N 2.722 123.428 120.500 0.343 0.000 2.504 187 R HA 0.211 4.552 4.340 0.001 0.000 0.291 187 R C -0.401 176.085 176.300 0.309 0.000 0.974 187 R CA 0.735 57.010 56.100 0.291 0.000 1.077 187 R CB 0.014 30.492 30.300 0.297 0.000 0.926 187 R HN 0.785 nan 8.270 nan 0.000 0.407 188 N N 0.099 118.923 118.700 0.206 0.000 2.853 188 N HA 0.176 4.917 4.740 0.001 0.000 0.258 188 N C -1.241 174.305 175.510 0.059 0.000 1.444 188 N CA -0.953 52.172 53.050 0.125 0.000 0.837 188 N CB 1.700 40.139 38.487 -0.081 0.000 1.489 188 N HN 0.180 nan 8.380 nan 0.000 0.529 189 S N -1.015 114.694 115.700 0.016 0.000 2.601 189 S HA 0.636 5.107 4.470 0.001 0.000 0.244 189 S C 0.353 174.921 174.600 -0.053 0.000 1.001 189 S CA -0.026 58.174 58.200 0.000 0.000 0.984 189 S CB -0.630 62.582 63.200 0.020 0.000 0.842 189 S HN 1.099 nan 8.310 nan 0.000 0.474 190 G N 0.475 109.219 108.800 -0.093 0.000 2.655 190 G HA2 0.331 4.292 3.960 0.001 0.000 0.680 190 G HA3 0.331 4.292 3.960 0.001 0.000 0.680 190 G C 0.420 175.193 174.900 -0.212 0.000 1.302 190 G CA -0.421 44.606 45.100 -0.121 0.000 0.872 190 G HN 1.201 nan 8.290 nan 0.000 0.540 191 G N -2.544 106.139 108.800 -0.196 0.000 2.198 191 G HA2 0.264 4.224 3.960 0.001 0.000 0.260 191 G HA3 0.264 4.224 3.960 0.001 0.000 0.260 191 G C 0.900 175.572 174.900 -0.381 0.000 1.025 191 G CA 1.568 46.508 45.100 -0.267 0.000 0.769 191 G HN 2.487 nan 8.290 nan 0.000 0.507 192 V N -3.351 116.377 119.914 -0.311 0.000 2.823 192 V HA 0.926 5.047 4.120 0.001 0.000 0.312 192 V C -1.916 174.124 176.094 -0.091 0.000 1.072 192 V CA -2.688 59.431 62.300 -0.301 0.000 0.937 192 V CB 1.874 33.389 31.823 -0.514 0.000 1.013 192 V HN 0.068 nan 8.190 nan 0.000 0.430 193 P HA 0.275 nan 4.420 nan 0.000 0.272 193 P C 0.789 178.175 177.300 0.144 0.000 1.230 193 P CA -0.214 62.936 63.100 0.084 0.000 0.788 193 P CB 0.597 32.370 31.700 0.122 0.000 0.949 194 E N 1.596 121.860 120.200 0.107 0.000 2.187 194 E HA -0.215 4.135 4.350 0.001 0.000 0.199 194 E C 1.049 177.720 176.600 0.119 0.000 1.004 194 E CA 1.392 57.853 56.400 0.101 0.000 0.813 194 E CB -0.400 29.343 29.700 0.071 0.000 0.736 194 E HN 0.523 nan 8.360 nan 0.000 0.468 195 N N 0.095 118.883 118.700 0.148 0.000 2.313 195 N HA -0.099 4.642 4.740 0.001 0.000 0.207 195 N C 0.097 175.651 175.510 0.073 0.000 1.141 195 N CA -0.287 52.822 53.050 0.098 0.000 0.830 195 N CB -0.887 37.667 38.487 0.112 0.000 1.008 195 N HN -0.050 nan 8.380 nan 0.000 0.481 196 F N 2.133 122.099 119.950 0.027 0.000 2.578 196 F HA 0.222 4.749 4.527 0.001 0.000 0.381 196 F C 0.056 175.738 175.800 -0.196 0.000 1.069 196 F CA 0.174 58.151 58.000 -0.038 0.000 1.231 196 F CB 0.373 39.407 39.000 0.057 0.000 1.086 196 F HN -0.071 nan 8.300 nan 0.000 0.564 197 K N 5.096 124.765 120.400 -1.219 0.000 2.523 197 K HA 0.182 4.503 4.320 0.001 0.000 0.257 197 K C -1.400 174.439 176.600 -1.268 0.000 0.932 197 K CA -1.026 54.480 56.287 -1.301 0.000 0.812 197 K CB 1.853 33.499 32.500 -1.423 0.000 1.326 197 K HN 0.646 nan 8.250 nan 0.000 0.433 198 N N 3.016 121.162 118.700 -0.924 0.000 2.476 198 N HA 0.220 4.960 4.740 0.001 0.000 0.257 198 N C -1.409 173.811 175.510 -0.482 0.000 0.970 198 N CA -0.330 52.360 53.050 -0.599 0.000 0.938 198 N CB 0.625 38.948 38.487 -0.274 0.000 1.144 198 N HN 0.415 nan 8.380 nan 0.000 0.500 199 Y N 3.998 124.055 120.300 -0.405 0.000 2.365 199 Y HA 0.290 4.841 4.550 0.001 0.000 0.340 199 Y C 0.126 175.901 175.900 -0.208 0.000 1.016 199 Y CA -0.676 57.118 58.100 -0.510 0.000 1.196 199 Y CB 0.396 38.349 38.460 -0.846 0.000 1.167 199 Y HN 0.310 nan 8.280 nan 0.000 0.509 200 F N 1.381 121.333 119.950 0.004 0.000 2.561 200 F HA 0.907 5.434 4.527 0.001 0.000 0.321 200 F C -1.287 174.614 175.800 0.167 0.000 1.065 200 F CA -1.890 56.097 58.000 -0.022 0.000 0.934 200 F CB 1.157 39.821 39.000 -0.560 0.000 1.215 200 F HN 0.176 nan 8.300 nan 0.000 0.471 201 I N 3.013 123.811 120.570 0.378 0.000 2.545 201 I HA 0.495 4.665 4.170 0.001 0.000 0.292 201 I C -1.061 175.228 176.117 0.287 0.000 1.040 201 I CA -0.759 60.711 61.300 0.283 0.000 1.068 201 I CB 2.413 40.538 38.000 0.209 0.000 1.251 201 I HN 0.573 nan 8.210 nan 0.000 0.424 202 I N 5.097 125.808 120.570 0.235 0.000 2.468 202 I HA 0.327 4.497 4.170 0.001 0.000 0.285 202 I C -0.773 175.367 176.117 0.040 0.000 1.039 202 I CA -0.411 60.962 61.300 0.123 0.000 1.074 202 I CB 1.712 39.803 38.000 0.152 0.000 1.228 202 I HN 0.521 nan 8.210 nan 0.000 0.436 203 E N 6.121 126.290 120.200 -0.051 0.000 2.129 203 E HA 0.463 4.814 4.350 0.001 0.000 0.268 203 E C -1.263 175.297 176.600 -0.067 0.000 0.900 203 E CA -0.585 55.828 56.400 0.022 0.000 0.755 203 E CB 1.700 31.433 29.700 0.055 0.000 1.117 203 E HN 0.282 nan 8.360 nan 0.000 0.410 204 F N 1.847 121.940 119.950 0.238 0.000 2.377 204 F HA 0.110 4.638 4.527 0.001 0.000 0.328 204 F C 1.531 177.396 175.800 0.110 0.000 1.094 204 F CA -0.569 57.575 58.000 0.240 0.000 1.093 204 F CB 0.860 40.106 39.000 0.410 0.000 1.214 204 F HN 0.468 nan 8.300 nan 0.000 0.518 205 D N -0.400 120.163 120.400 0.270 0.000 2.354 205 D HA -0.031 4.609 4.640 0.001 0.000 0.209 205 D C 0.261 176.595 176.300 0.058 0.000 1.015 205 D CA 0.396 54.468 54.000 0.120 0.000 0.867 205 D CB 0.042 40.889 40.800 0.079 0.000 0.933 205 D HN 0.228 nan 8.370 nan 0.000 0.520 206 K N 1.099 121.538 120.400 0.066 0.000 2.159 206 K HA 0.365 4.686 4.320 0.001 0.000 0.266 206 K C -2.763 173.791 176.600 -0.076 0.000 0.975 206 K CA -2.157 54.072 56.287 -0.097 0.000 0.865 206 K CB 1.709 33.983 32.500 -0.376 0.000 1.087 206 K HN -0.137 nan 8.250 nan 0.000 0.446 207 P HA 0.053 nan 4.420 nan 0.000 0.268 207 P C -0.808 176.505 177.300 0.021 0.000 1.205 207 P CA -0.057 62.933 63.100 -0.184 0.000 0.771 207 P CB 0.207 31.841 31.700 -0.109 0.000 0.858 208 F N 0.442 120.465 119.950 0.122 0.000 2.443 208 F HA 0.211 4.739 4.527 0.001 0.000 0.353 208 F C 1.830 177.682 175.800 0.086 0.000 1.101 208 F CA 0.024 58.092 58.000 0.114 0.000 1.226 208 F CB -0.424 38.587 39.000 0.019 0.000 1.140 208 F HN 0.209 nan 8.300 nan 0.000 0.557 209 T N 1.117 115.847 114.554 0.294 0.000 2.971 209 T HA 0.068 4.418 4.350 0.001 0.000 0.252 209 T C -0.983 173.839 174.700 0.203 0.000 1.022 209 T CA 0.342 62.555 62.100 0.188 0.000 0.980 209 T CB -0.228 68.730 68.868 0.149 0.000 1.044 209 T HN 0.491 nan 8.240 nan 0.000 0.501 210 Y N 2.318 122.643 120.300 0.043 0.000 2.524 210 Y HA 0.571 5.122 4.550 0.001 0.000 0.347 210 Y C -1.620 174.254 175.900 -0.043 0.000 1.005 210 Y CA -1.401 56.710 58.100 0.017 0.000 1.025 210 Y CB 1.234 39.727 38.460 0.056 0.000 1.275 210 Y HN -0.058 nan 8.280 nan 0.000 0.460 211 K N 4.048 124.041 120.400 -0.679 0.000 2.561 211 K HA 0.918 5.238 4.320 0.001 0.000 0.254 211 K C -2.290 173.899 176.600 -0.684 0.000 0.942 211 K CA -0.896 55.065 56.287 -0.543 0.000 0.818 211 K CB 1.845 34.178 32.500 -0.278 0.000 1.306 211 K HN 0.907 nan 8.250 nan 0.000 0.435 212 A N 1.417 123.959 122.820 -0.463 0.000 2.574 212 A HA 0.693 5.013 4.320 0.001 0.000 0.297 212 A C -0.791 176.667 177.584 -0.210 0.000 1.062 212 A CA -0.650 51.193 52.037 -0.323 0.000 0.686 212 A CB 1.716 20.552 19.000 -0.273 0.000 1.285 212 A HN 0.840 nan 8.150 nan 0.000 0.403 213 T N -1.152 113.283 114.554 -0.198 0.000 2.952 213 T HA 0.766 5.117 4.350 0.001 0.000 0.286 213 T C -0.382 174.171 174.700 -0.244 0.000 1.024 213 T CA -0.716 61.262 62.100 -0.203 0.000 1.029 213 T CB 1.445 70.199 68.868 -0.190 0.000 1.094 213 T HN 0.905 nan 8.240 nan 0.000 0.515 214 V N 1.663 121.374 119.914 -0.337 0.000 2.555 214 V HA 0.746 4.867 4.120 0.001 0.000 0.302 214 V C -0.391 175.483 176.094 -0.367 0.000 1.038 214 V CA -0.660 61.360 62.300 -0.467 0.000 0.887 214 V CB 1.496 32.717 31.823 -1.003 0.000 0.991 214 V HN 1.064 nan 8.190 nan 0.000 0.434 215 E N 4.208 124.238 120.200 -0.284 0.000 2.307 215 E HA 0.234 4.585 4.350 0.001 0.000 0.280 215 E C -0.766 175.751 176.600 -0.138 0.000 0.900 215 E CA -0.555 55.740 56.400 -0.176 0.000 0.790 215 E CB 1.387 31.015 29.700 -0.119 0.000 1.261 215 E HN 0.686 nan 8.360 nan 0.000 0.405 216 N N 3.232 121.874 118.700 -0.097 0.000 2.714 216 N HA -0.245 4.496 4.740 0.001 0.000 0.252 216 N C 0.855 176.315 175.510 -0.082 0.000 1.014 216 N CA 1.843 54.859 53.050 -0.057 0.000 0.735 216 N CB -1.446 37.024 38.487 -0.030 0.000 0.924 216 N HN 0.999 nan 8.380 nan 0.000 0.540 217 G N -1.459 107.255 108.800 -0.143 0.000 2.284 217 G HA2 -0.377 3.584 3.960 0.001 0.000 0.261 217 G HA3 -0.377 3.584 3.960 0.001 0.000 0.261 217 G C 0.129 174.950 174.900 -0.132 0.000 0.997 217 G CA 0.503 45.531 45.100 -0.120 0.000 0.621 217 G HN 0.534 nan 8.290 nan 0.000 0.534 218 N N 0.491 119.108 118.700 -0.139 0.000 2.472 218 N HA 0.478 5.218 4.740 0.001 0.000 0.277 218 N C -0.216 175.200 175.510 -0.156 0.000 1.081 218 N CA -0.404 52.575 53.050 -0.118 0.000 0.973 218 N CB 1.628 40.062 38.487 -0.089 0.000 1.105 218 N HN 0.249 nan 8.380 nan 0.000 0.470 219 L N 2.356 123.504 121.223 -0.125 0.000 2.319 219 L HA 0.171 4.512 4.340 0.001 0.000 0.280 219 L C -0.075 176.730 176.870 -0.108 0.000 1.099 219 L CA 0.299 55.063 54.840 -0.126 0.000 0.828 219 L CB 0.277 42.289 42.059 -0.078 0.000 1.150 219 L HN 0.422 nan 8.230 nan 0.000 0.442 220 Q N 4.300 124.022 119.800 -0.130 0.000 2.523 220 Q HA 0.250 4.591 4.340 0.001 0.000 0.251 220 Q C -0.738 175.175 176.000 -0.145 0.000 1.033 220 Q CA -0.314 55.418 55.803 -0.118 0.000 0.746 220 Q CB 1.249 29.920 28.738 -0.112 0.000 1.189 220 Q HN 0.586 nan 8.270 nan 0.000 0.508 221 E N 2.143 122.257 120.200 -0.144 0.000 2.452 221 E HA -0.105 4.245 4.350 0.001 0.000 0.261 221 E C 0.017 176.505 176.600 -0.188 0.000 0.987 221 E CA 0.297 56.562 56.400 -0.224 0.000 0.926 221 E CB 0.343 29.933 29.700 -0.184 0.000 0.934 221 E HN 0.512 nan 8.360 nan 0.000 0.452 222 N N 1.021 119.585 118.700 -0.227 0.000 2.857 222 N HA -0.193 4.547 4.740 0.001 0.000 0.242 222 N C -0.884 174.558 175.510 -0.113 0.000 0.983 222 N CA 0.985 53.943 53.050 -0.153 0.000 0.934 222 N CB -1.288 37.132 38.487 -0.113 0.000 1.115 222 N HN 0.186 nan 8.380 nan 0.000 0.593 223 V N 0.834 120.676 119.914 -0.121 0.000 2.432 223 V HA 0.454 4.574 4.120 0.001 0.000 0.271 223 V C 1.601 177.628 176.094 -0.113 0.000 1.046 223 V CA 0.410 62.650 62.300 -0.100 0.000 0.945 223 V CB 1.336 33.102 31.823 -0.095 0.000 0.992 223 V HN 0.354 nan 8.190 nan 0.000 0.471 224 A N 4.118 126.883 122.820 -0.091 0.000 2.021 224 A HA 0.144 4.464 4.320 0.001 0.000 0.216 224 A C 0.878 178.388 177.584 -0.124 0.000 1.163 224 A CA 0.598 52.578 52.037 -0.094 0.000 0.676 224 A CB 0.088 19.052 19.000 -0.060 0.000 0.818 224 A HN 0.780 nan 8.150 nan 0.000 0.453 225 E N -0.178 119.953 120.200 -0.116 0.000 2.308 225 E HA 0.416 4.766 4.350 0.001 0.000 0.275 225 E C -1.618 174.911 176.600 -0.119 0.000 0.890 225 E CA -0.644 55.671 56.400 -0.141 0.000 0.754 225 E CB 1.040 30.711 29.700 -0.047 0.000 1.207 225 E HN 0.192 nan 8.360 nan 0.000 0.426 226 Q N 1.746 121.443 119.800 -0.172 0.000 2.305 226 Q HA 0.382 4.723 4.340 0.001 0.000 0.271 226 Q C -1.341 174.654 176.000 -0.008 0.000 1.046 226 Q CA -0.601 55.147 55.803 -0.092 0.000 0.798 226 Q CB 2.398 31.061 28.738 -0.126 0.000 1.286 226 Q HN 0.475 nan 8.270 nan 0.000 0.435 227 T N 1.779 116.381 114.554 0.081 0.000 2.864 227 T HA 0.605 4.955 4.350 0.001 0.000 0.310 227 T C -0.346 174.400 174.700 0.077 0.000 1.040 227 T CA -0.263 61.917 62.100 0.134 0.000 0.977 227 T CB 1.109 70.074 68.868 0.162 0.000 0.976 227 T HN 0.521 nan 8.240 nan 0.000 0.459 228 T N 1.081 115.678 114.554 0.071 0.000 2.739 228 T HA 0.271 4.622 4.350 0.001 0.000 0.303 228 T C 0.580 175.339 174.700 0.098 0.000 1.389 228 T CA -0.434 61.705 62.100 0.064 0.000 1.001 228 T CB 1.807 70.690 68.868 0.026 0.000 1.436 228 T HN 0.467 nan 8.240 nan 0.000 0.500 229 D N 0.278 120.739 120.400 0.101 0.000 2.092 229 D HA -0.113 4.527 4.640 0.001 0.000 0.193 229 D C 0.692 177.106 176.300 0.189 0.000 0.994 229 D CA 1.740 55.817 54.000 0.129 0.000 0.828 229 D CB -0.014 40.853 40.800 0.112 0.000 0.963 229 D HN 0.567 nan 8.370 nan 0.000 0.450 230 H N -0.732 118.377 119.070 0.065 0.000 2.716 230 H HA 0.581 5.137 4.556 0.001 0.000 0.260 230 H C -1.095 174.254 175.328 0.035 0.000 1.280 230 H CA -0.854 55.251 56.048 0.094 0.000 1.506 230 H CB 0.509 30.332 29.762 0.102 0.000 1.514 230 H HN 0.189 nan 8.280 nan 0.000 0.502 231 A N 2.979 125.946 122.820 0.245 0.000 2.351 231 A HA 0.689 5.009 4.320 0.001 0.000 0.257 231 A C 0.432 178.065 177.584 0.083 0.000 1.087 231 A CA 0.365 52.435 52.037 0.055 0.000 0.798 231 A CB 0.728 19.729 19.000 0.001 0.000 1.033 231 A HN 0.776 nan 8.150 nan 0.000 0.488 232 G N -1.567 107.146 108.800 -0.145 0.000 2.559 232 G HA2 0.762 4.722 3.960 0.001 0.000 0.291 232 G HA3 0.762 4.722 3.960 0.001 0.000 0.291 232 G C -1.103 173.726 174.900 -0.118 0.000 1.424 232 G CA 0.160 45.221 45.100 -0.066 0.000 0.786 232 G HN 1.884 nan 8.290 nan 0.000 0.485 233 A N -0.409 122.450 122.820 0.065 0.000 2.549 233 A HA 0.833 5.153 4.320 0.001 0.000 0.297 233 A C -1.286 176.336 177.584 0.063 0.000 1.061 233 A CA -0.555 51.480 52.037 -0.004 0.000 0.690 233 A CB 1.301 20.287 19.000 -0.024 0.000 1.287 233 A HN 0.881 nan 8.150 nan 0.000 0.402 234 I N 2.577 123.145 120.570 -0.003 0.000 2.447 234 I HA 0.445 4.616 4.170 0.001 0.000 0.287 234 I C -0.731 175.377 176.117 -0.014 0.000 1.023 234 I CA -0.622 60.693 61.300 0.025 0.000 1.083 234 I CB 1.705 39.736 38.000 0.053 0.000 1.245 234 I HN 0.695 nan 8.210 nan 0.000 0.434 235 I N 2.899 123.371 120.570 -0.164 0.000 2.863 235 I HA 1.070 5.240 4.170 0.001 0.000 0.311 235 I C 0.213 176.168 176.117 -0.271 0.000 1.026 235 I CA -0.313 60.784 61.300 -0.339 0.000 1.077 235 I CB 1.876 39.259 38.000 -1.029 0.000 1.262 235 I HN 0.557 nan 8.210 nan 0.000 0.461 236 G N 1.615 110.202 108.800 -0.354 0.000 2.649 236 G HA2 0.834 4.795 3.960 0.001 0.000 0.290 236 G HA3 0.834 4.795 3.960 0.001 0.000 0.290 236 G C -1.439 173.007 174.900 -0.757 0.000 1.426 236 G CA -0.702 43.906 45.100 -0.820 0.000 0.794 236 G HN 1.075 nan 8.290 nan 0.000 0.483 237 F N -2.500 117.258 119.950 -0.320 0.000 3.132 237 F HA 0.636 5.164 4.527 0.001 0.000 0.331 237 F C -0.929 174.670 175.800 -0.336 0.000 1.108 237 F CA -1.475 56.384 58.000 -0.236 0.000 0.858 237 F CB 1.596 40.490 39.000 -0.176 0.000 1.420 237 F HN 0.575 nan 8.300 nan 0.000 0.454 238 K N 1.231 121.672 120.400 0.069 0.000 2.156 238 K HA 0.699 5.019 4.320 0.001 0.000 0.271 238 K C -1.087 175.472 176.600 -0.069 0.000 0.995 238 K CA -0.194 56.053 56.287 -0.066 0.000 0.890 238 K CB 1.752 34.203 32.500 -0.082 0.000 1.073 238 K HN 0.846 nan 8.250 nan 0.000 0.454 239 T N 0.707 115.209 114.554 -0.088 0.000 2.907 239 T HA 0.503 4.853 4.350 0.001 0.000 0.292 239 T C -0.222 174.467 174.700 -0.018 0.000 1.043 239 T CA -1.080 60.977 62.100 -0.071 0.000 1.003 239 T CB 1.553 70.381 68.868 -0.067 0.000 1.084 239 T HN 0.547 nan 8.240 nan 0.000 0.483 240 R N 0.602 121.103 120.500 0.002 0.000 2.543 240 R HA 0.428 4.768 4.340 0.001 0.000 0.268 240 R C 0.239 176.576 176.300 0.062 0.000 1.067 240 R CA -1.053 55.060 56.100 0.022 0.000 1.142 240 R CB 0.812 31.120 30.300 0.013 0.000 1.110 240 R HN 0.685 nan 8.270 nan 0.000 0.549 241 K N 0.772 121.207 120.400 0.060 0.000 2.472 241 K HA -0.051 4.270 4.320 0.001 0.000 0.280 241 K C 0.519 177.171 176.600 0.085 0.000 1.028 241 K CA 1.184 57.518 56.287 0.080 0.000 1.045 241 K CB 0.111 32.648 32.500 0.061 0.000 0.902 241 K HN 0.792 nan 8.250 nan 0.000 0.478 242 G N 2.783 111.651 108.800 0.114 0.000 2.162 242 G HA2 -0.331 3.630 3.960 0.001 0.000 0.260 242 G HA3 -0.331 3.630 3.960 0.001 0.000 0.260 242 G C -0.044 174.926 174.900 0.118 0.000 0.976 242 G CA 0.523 45.688 45.100 0.109 0.000 0.655 242 G HN 0.765 nan 8.290 nan 0.000 0.533 243 E N 0.550 120.834 120.200 0.140 0.000 2.376 243 E HA 0.343 4.694 4.350 0.001 0.000 0.266 243 E C 0.453 177.175 176.600 0.204 0.000 1.009 243 E CA -0.022 56.456 56.400 0.130 0.000 0.902 243 E CB 0.218 29.967 29.700 0.082 0.000 0.972 243 E HN 0.537 nan 8.360 nan 0.000 0.439 244 Q N 2.355 122.243 119.800 0.147 0.000 2.271 244 Q HA 0.424 4.765 4.340 0.001 0.000 0.258 244 Q C -1.173 174.938 176.000 0.185 0.000 0.936 244 Q CA -0.779 55.129 55.803 0.174 0.000 0.909 244 Q CB 2.299 31.098 28.738 0.101 0.000 1.253 244 Q HN 0.298 nan 8.270 nan 0.000 0.440 245 V N 3.457 123.559 119.914 0.314 0.000 2.444 245 V HA 0.312 4.432 4.120 0.001 0.000 0.294 245 V C -0.489 175.802 176.094 0.328 0.000 1.022 245 V CA -0.901 61.603 62.300 0.340 0.000 0.850 245 V CB 1.709 33.846 31.823 0.523 0.000 0.992 245 V HN 0.766 nan 8.190 nan 0.000 0.426 246 N N 3.237 122.067 118.700 0.216 0.000 2.443 246 N HA 0.721 5.462 4.740 0.001 0.000 0.295 246 N C -0.469 175.116 175.510 0.126 0.000 1.076 246 N CA -0.298 52.813 53.050 0.102 0.000 0.919 246 N CB 2.500 41.008 38.487 0.035 0.000 1.176 246 N HN 0.761 nan 8.380 nan 0.000 0.487 247 A N 2.530 125.342 122.820 -0.014 0.000 2.340 247 A HA 0.439 4.760 4.320 0.001 0.000 0.297 247 A C -0.297 177.226 177.584 -0.103 0.000 1.195 247 A CA -0.754 51.178 52.037 -0.176 0.000 0.769 247 A CB 0.750 19.607 19.000 -0.239 0.000 1.163 247 A HN 0.597 nan 8.150 nan 0.000 0.472 248 R N 1.737 122.180 120.500 -0.094 0.000 2.254 248 R HA 0.665 5.005 4.340 0.001 0.000 0.318 248 R C -0.883 175.426 176.300 0.014 0.000 1.031 248 R CA 0.106 56.188 56.100 -0.030 0.000 0.905 248 R CB 1.027 31.324 30.300 -0.004 0.000 1.050 248 R HN 0.664 nan 8.270 nan 0.000 0.456 249 I N 1.592 122.198 120.570 0.059 0.000 2.582 249 I HA 0.641 4.812 4.170 0.001 0.000 0.292 249 I C -0.575 175.678 176.117 0.226 0.000 1.066 249 I CA -0.860 60.548 61.300 0.180 0.000 1.053 249 I CB 2.249 40.395 38.000 0.243 0.000 1.241 249 I HN 0.677 nan 8.210 nan 0.000 0.421 250 A N 3.687 126.688 122.820 0.301 0.000 2.594 250 A HA 0.914 5.235 4.320 0.001 0.000 0.291 250 A C -0.853 176.940 177.584 0.349 0.000 1.105 250 A CA -0.491 51.727 52.037 0.302 0.000 0.694 250 A CB 2.153 21.268 19.000 0.191 0.000 1.291 250 A HN 0.735 nan 8.150 nan 0.000 0.410 251 S N -0.263 115.607 115.700 0.284 0.000 2.627 251 S HA 0.898 5.369 4.470 0.001 0.000 0.283 251 S C -0.534 174.067 174.600 0.001 0.000 1.127 251 S CA 0.019 58.331 58.200 0.187 0.000 0.863 251 S CB 1.670 65.026 63.200 0.260 0.000 1.121 251 S HN 2.085 nan 8.310 nan 0.000 0.479 252 S N -0.316 115.315 115.700 -0.116 0.000 2.564 252 S HA 0.667 5.137 4.470 0.001 0.000 0.274 252 S C -1.045 173.358 174.600 -0.327 0.000 1.124 252 S CA -0.750 57.340 58.200 -0.182 0.000 0.869 252 S CB 0.822 63.982 63.200 -0.067 0.000 1.105 252 S HN 0.643 nan 8.310 nan 0.000 0.472 253 F N 2.152 122.051 119.950 -0.086 0.000 2.693 253 F HA 0.437 4.965 4.527 0.001 0.000 0.303 253 F C 1.183 176.877 175.800 -0.177 0.000 1.097 253 F CA 0.023 57.904 58.000 -0.199 0.000 1.330 253 F CB 0.116 38.961 39.000 -0.258 0.000 1.067 253 F HN 0.419 nan 8.300 nan 0.000 0.565 254 I N -1.684 118.910 120.570 0.041 0.000 3.132 254 I HA 0.102 4.272 4.170 0.001 0.000 0.255 254 I C 0.599 176.495 176.117 -0.368 0.000 1.118 254 I CA 0.304 61.578 61.300 -0.044 0.000 1.463 254 I CB 0.316 38.315 38.000 -0.002 0.000 1.356 254 I HN 0.014 nan 8.210 nan 0.000 0.463 255 S N -1.559 113.756 115.700 -0.642 0.000 2.595 255 S HA 0.302 4.773 4.470 0.001 0.000 0.270 255 S C 0.040 174.160 174.600 -0.800 0.000 1.145 255 S CA -0.707 56.799 58.200 -1.156 0.000 0.825 255 S CB 0.506 63.383 63.200 -0.537 0.000 1.107 255 S HN 0.044 nan 8.310 nan 0.000 0.461 256 F N 1.310 120.900 119.950 -0.601 0.000 2.120 256 F HA -0.050 4.478 4.527 0.001 0.000 0.300 256 F C 3.066 178.790 175.800 -0.128 0.000 1.095 256 F CA 1.904 59.780 58.000 -0.207 0.000 1.249 256 F CB -0.864 38.072 39.000 -0.108 0.000 0.995 256 F HN 0.769 nan 8.300 nan 0.000 0.480 257 E N -0.200 120.022 120.200 0.035 0.000 2.085 257 E HA -0.292 4.059 4.350 0.001 0.000 0.194 257 E C 2.153 178.755 176.600 0.002 0.000 0.994 257 E CA 1.559 57.968 56.400 0.016 0.000 0.801 257 E CB -0.488 29.205 29.700 -0.012 0.000 0.743 257 E HN 0.509 nan 8.360 nan 0.000 0.453 258 Q N -0.182 119.591 119.800 -0.044 0.000 2.167 258 Q HA 0.115 4.456 4.340 0.001 0.000 0.202 258 Q C 2.013 178.019 176.000 0.011 0.000 0.970 258 Q CA 1.824 57.614 55.803 -0.022 0.000 0.855 258 Q CB -0.667 28.043 28.738 -0.046 0.000 0.911 258 Q HN 0.459 nan 8.270 nan 0.000 0.438 259 A N 0.182 123.010 122.820 0.015 0.000 1.902 259 A HA -0.060 4.260 4.320 0.001 0.000 0.217 259 A C 2.262 179.907 177.584 0.102 0.000 1.181 259 A CA 1.792 53.874 52.037 0.076 0.000 0.623 259 A CB -1.088 17.988 19.000 0.127 0.000 0.818 259 A HN 0.493 nan 8.150 nan 0.000 0.443 260 A N -0.284 122.593 122.820 0.096 0.000 1.969 260 A HA 0.216 4.536 4.320 0.001 0.000 0.218 260 A C 2.458 180.081 177.584 0.065 0.000 1.169 260 A CA 1.877 53.964 52.037 0.084 0.000 0.635 260 A CB -0.864 18.179 19.000 0.072 0.000 0.810 260 A HN 0.985 nan 8.150 nan 0.000 0.445 261 A N 0.589 123.441 122.820 0.054 0.000 1.873 261 A HA -0.182 4.139 4.320 0.001 0.000 0.215 261 A C 1.852 179.471 177.584 0.058 0.000 1.186 261 A CA 1.744 53.811 52.037 0.050 0.000 0.616 261 A CB -0.636 18.389 19.000 0.041 0.000 0.823 261 A HN 0.524 nan 8.150 nan 0.000 0.442 262 N N -0.677 118.062 118.700 0.064 0.000 2.205 262 N HA -0.178 4.563 4.740 0.001 0.000 0.186 262 N C 1.490 177.049 175.510 0.082 0.000 1.015 262 N CA 1.721 54.815 53.050 0.074 0.000 0.862 262 N CB -0.521 38.013 38.487 0.079 0.000 0.986 262 N HN 0.542 nan 8.380 nan 0.000 0.429 263 M N 1.151 120.802 119.600 0.086 0.000 2.267 263 M HA -0.057 4.424 4.480 0.001 0.000 0.263 263 M C 0.864 177.201 176.300 0.062 0.000 1.063 263 M CA 1.288 56.637 55.300 0.081 0.000 1.090 263 M CB -0.175 32.476 32.600 0.085 0.000 1.392 263 M HN 0.029 nan 8.290 nan 0.000 0.422 264 N N 0.390 119.124 118.700 0.057 0.000 2.519 264 N HA -0.141 4.599 4.740 0.001 0.000 0.186 264 N C 1.177 176.715 175.510 0.046 0.000 1.062 264 N CA 1.067 54.145 53.050 0.047 0.000 0.910 264 N CB -0.301 38.213 38.487 0.045 0.000 0.958 264 N HN 0.627 nan 8.380 nan 0.000 0.445 265 E N 0.478 120.710 120.200 0.053 0.000 2.265 265 E HA -0.069 4.282 4.350 0.001 0.000 0.196 265 E C 1.589 178.214 176.600 0.041 0.000 0.996 265 E CA 0.487 56.919 56.400 0.053 0.000 0.832 265 E CB -0.012 29.727 29.700 0.064 0.000 0.756 265 E HN 0.387 nan 8.360 nan 0.000 0.491 266 L N -0.181 121.063 121.223 0.035 0.000 2.395 266 L HA 0.038 4.379 4.340 0.001 0.000 0.218 266 L C 1.701 178.582 176.870 0.018 0.000 1.130 266 L CA 0.307 55.159 54.840 0.020 0.000 0.826 266 L CB -1.006 41.060 42.059 0.012 0.000 0.941 266 L HN 0.224 nan 8.230 nan 0.000 0.451 267 G N 1.356 110.171 108.800 0.024 0.000 2.672 267 G HA2 -0.411 3.550 3.960 0.001 0.000 0.324 267 G HA3 -0.411 3.550 3.960 0.001 0.000 0.324 267 G C 0.664 175.574 174.900 0.016 0.000 1.286 267 G CA 0.807 45.919 45.100 0.021 0.000 1.004 267 G HN 0.404 nan 8.290 nan 0.000 0.548 268 K N 1.070 121.477 120.400 0.012 0.000 2.455 268 K HA 0.218 4.539 4.320 0.001 0.000 0.206 268 K C -0.351 176.251 176.600 0.003 0.000 1.027 268 K CA -0.191 56.101 56.287 0.008 0.000 1.113 268 K CB 0.461 32.966 32.500 0.009 0.000 0.850 268 K HN 0.421 nan 8.250 nan 0.000 0.503 269 D N 2.582 122.983 120.400 0.002 0.000 2.419 269 D HA -0.054 4.586 4.640 0.001 0.000 0.236 269 D C 0.257 176.552 176.300 -0.008 0.000 1.165 269 D CA 0.470 54.468 54.000 -0.003 0.000 0.882 269 D CB 0.510 41.309 40.800 -0.002 0.000 1.201 269 D HN 0.224 nan 8.370 nan 0.000 0.443 270 N N 0.329 119.023 118.700 -0.010 0.000 2.538 270 N HA 0.145 4.886 4.740 0.001 0.000 0.292 270 N C 1.071 176.572 175.510 -0.014 0.000 1.262 270 N CA -0.598 52.444 53.050 -0.013 0.000 0.976 270 N CB 0.612 39.094 38.487 -0.009 0.000 1.161 270 N HN 0.150 nan 8.380 nan 0.000 0.598 271 I N -0.286 120.277 120.570 -0.012 0.000 2.163 271 I HA -0.213 3.958 4.170 0.001 0.000 0.243 271 I C 1.669 177.794 176.117 0.013 0.000 1.085 271 I CA 1.646 62.952 61.300 0.010 0.000 1.347 271 I CB -1.047 36.977 38.000 0.039 0.000 1.044 271 I HN 0.577 nan 8.210 nan 0.000 0.408 272 E N 0.701 120.891 120.200 -0.016 0.000 2.077 272 E HA -0.227 4.123 4.350 0.001 0.000 0.193 272 E C 2.245 178.821 176.600 -0.040 0.000 0.989 272 E CA 1.191 57.562 56.400 -0.048 0.000 0.800 272 E CB -0.244 29.425 29.700 -0.052 0.000 0.746 272 E HN 0.508 nan 8.360 nan 0.000 0.452 273 Q N -0.248 119.537 119.800 -0.025 0.000 2.079 273 Q HA -0.064 4.276 4.340 0.001 0.000 0.200 273 Q C 2.220 178.212 176.000 -0.013 0.000 0.974 273 Q CA 0.964 56.754 55.803 -0.022 0.000 0.840 273 Q CB -0.064 28.665 28.738 -0.015 0.000 0.898 273 Q HN 0.270 nan 8.270 nan 0.000 0.430 274 L N -0.068 121.156 121.223 0.002 0.000 2.109 274 L HA -0.120 4.220 4.340 0.001 0.000 0.207 274 L C 2.463 179.366 176.870 0.054 0.000 1.086 274 L CA 0.720 55.572 54.840 0.021 0.000 0.760 274 L CB -0.513 41.554 42.059 0.014 0.000 0.910 274 L HN 0.214 nan 8.230 nan 0.000 0.437 275 A N -0.235 122.628 122.820 0.073 0.000 1.883 275 A HA -0.327 3.994 4.320 0.001 0.000 0.217 275 A C 2.207 179.765 177.584 -0.043 0.000 1.186 275 A CA 2.158 54.284 52.037 0.149 0.000 0.624 275 A CB -0.619 18.430 19.000 0.082 0.000 0.822 275 A HN 0.398 nan 8.150 nan 0.000 0.444 276 Q N -0.097 119.648 119.800 -0.091 0.000 2.084 276 Q HA -0.141 4.200 4.340 0.001 0.000 0.202 276 Q C 1.955 177.882 176.000 -0.122 0.000 0.978 276 Q CA 2.230 57.944 55.803 -0.149 0.000 0.844 276 Q CB -0.266 28.411 28.738 -0.101 0.000 0.898 276 Q HN 0.691 nan 8.270 nan 0.000 0.426 277 K N -1.199 119.169 120.400 -0.054 0.000 2.097 277 K HA -0.043 4.278 4.320 0.001 0.000 0.205 277 K C 1.966 178.562 176.600 -0.006 0.000 1.050 277 K CA 1.021 57.295 56.287 -0.023 0.000 0.938 277 K CB -0.360 32.142 32.500 0.003 0.000 0.718 277 K HN 0.388 nan 8.250 nan 0.000 0.442 278 G N 1.714 110.532 108.800 0.030 0.000 2.402 278 G HA2 -0.276 3.685 3.960 0.001 0.000 0.216 278 G HA3 -0.276 3.685 3.960 0.001 0.000 0.216 278 G C 1.418 176.379 174.900 0.102 0.000 1.162 278 G CA 0.657 45.843 45.100 0.144 0.000 0.777 278 G HN 0.210 nan 8.290 nan 0.000 0.539 279 K N 0.296 120.509 120.400 -0.313 0.000 2.026 279 K HA -0.138 4.182 4.320 0.001 0.000 0.208 279 K C 2.058 178.588 176.600 -0.117 0.000 1.048 279 K CA 1.647 57.600 56.287 -0.556 0.000 0.929 279 K CB -0.174 31.725 32.500 -1.001 0.000 0.713 279 K HN 0.106 nan 8.250 nan 0.000 0.439 280 D N 0.492 120.835 120.400 -0.095 0.000 2.104 280 D HA -0.182 4.459 4.640 0.001 0.000 0.194 280 D C 1.811 178.131 176.300 0.032 0.000 0.994 280 D CA 1.560 55.552 54.000 -0.013 0.000 0.830 280 D CB -0.388 40.398 40.800 -0.023 0.000 0.959 280 D HN 0.378 nan 8.370 nan 0.000 0.452 281 A N 0.081 122.906 122.820 0.007 0.000 1.908 281 A HA -0.184 4.137 4.320 0.001 0.000 0.218 281 A C 2.234 179.759 177.584 -0.099 0.000 1.181 281 A CA 1.474 53.474 52.037 -0.061 0.000 0.627 281 A CB -1.228 17.694 19.000 -0.130 0.000 0.818 281 A HN 0.330 nan 8.150 nan 0.000 0.445 282 W N 0.039 121.365 121.300 0.042 0.000 2.379 282 W HA -0.092 4.568 4.660 0.001 0.000 0.307 282 W C 2.229 178.806 176.519 0.098 0.000 1.200 282 W CA 0.936 58.321 57.345 0.066 0.000 1.297 282 W CB -0.262 29.259 29.460 0.101 0.000 1.140 282 W HN 0.299 nan 8.180 nan 0.000 0.507 283 N N 0.382 119.279 118.700 0.329 0.000 2.149 283 N HA -0.233 4.508 4.740 0.001 0.000 0.188 283 N C 1.586 177.255 175.510 0.265 0.000 1.019 283 N CA 1.846 55.103 53.050 0.346 0.000 0.857 283 N CB -0.822 37.847 38.487 0.303 0.000 0.997 283 N HN 0.330 nan 8.380 nan 0.000 0.426 284 Q N 0.980 120.886 119.800 0.175 0.000 2.084 284 Q HA -0.099 4.241 4.340 0.001 0.000 0.202 284 Q C 1.822 177.907 176.000 0.141 0.000 0.978 284 Q CA 1.874 57.755 55.803 0.130 0.000 0.844 284 Q CB -0.048 28.744 28.738 0.090 0.000 0.898 284 Q HN 0.295 nan 8.270 nan 0.000 0.426 285 V N -1.981 118.020 119.914 0.146 0.000 2.446 285 V HA -0.033 4.088 4.120 0.001 0.000 0.244 285 V C 2.260 178.506 176.094 0.253 0.000 1.039 285 V CA 1.104 63.538 62.300 0.223 0.000 1.045 285 V CB -0.826 31.004 31.823 0.013 0.000 0.681 285 V HN 0.347 nan 8.190 nan 0.000 0.459 286 L N 1.712 123.070 121.223 0.225 0.000 2.042 286 L HA -0.016 4.325 4.340 0.001 0.000 0.210 286 L C 2.813 179.570 176.870 -0.187 0.000 1.076 286 L CA 1.851 56.798 54.840 0.177 0.000 0.749 286 L CB -1.274 40.951 42.059 0.277 0.000 0.893 286 L HN 0.510 nan 8.230 nan 0.000 0.432 287 G N -0.327 108.234 108.800 -0.398 0.000 2.535 287 G HA2 -0.189 3.772 3.960 0.001 0.000 0.218 287 G HA3 -0.189 3.772 3.960 0.001 0.000 0.218 287 G C 1.551 176.197 174.900 -0.424 0.000 1.122 287 G CA 0.222 44.721 45.100 -1.001 0.000 0.769 287 G HN 0.177 nan 8.290 nan 0.000 0.549 288 K N -0.016 120.306 120.400 -0.131 0.000 2.362 288 K HA 0.075 4.395 4.320 0.001 0.000 0.200 288 K C 0.615 177.115 176.600 -0.166 0.000 1.046 288 K CA 0.429 56.683 56.287 -0.054 0.000 0.952 288 K CB 0.144 32.600 32.500 -0.073 0.000 0.753 288 K HN 0.382 nan 8.250 nan 0.000 0.466 289 I N 1.697 122.170 120.570 -0.162 0.000 2.448 289 I HA 0.164 4.334 4.170 0.001 0.000 0.281 289 I C -0.684 175.352 176.117 -0.136 0.000 1.027 289 I CA -0.393 60.826 61.300 -0.135 0.000 1.111 289 I CB 1.622 39.645 38.000 0.037 0.000 1.236 289 I HN -0.159 nan 8.210 nan 0.000 0.452 290 E N 6.068 126.162 120.200 -0.177 0.000 2.113 290 E HA 0.443 4.794 4.350 0.001 0.000 0.273 290 E C -0.738 175.778 176.600 -0.141 0.000 0.924 290 E CA -0.661 55.714 56.400 -0.042 0.000 0.764 290 E CB 2.504 32.269 29.700 0.109 0.000 1.104 290 E HN 0.449 nan 8.360 nan 0.000 0.406 291 V N 0.813 120.590 119.914 -0.227 0.000 2.513 291 V HA 0.640 4.761 4.120 0.001 0.000 0.299 291 V C -0.405 175.472 176.094 -0.361 0.000 1.035 291 V CA -0.687 61.266 62.300 -0.579 0.000 0.889 291 V CB 1.439 32.333 31.823 -1.548 0.000 0.988 291 V HN 0.742 nan 8.190 nan 0.000 0.440 292 E N 2.377 122.475 120.200 -0.171 0.000 2.446 292 E HA 0.727 5.077 4.350 0.001 0.000 0.276 292 E C 0.344 177.084 176.600 0.233 0.000 0.969 292 E CA -0.896 55.544 56.400 0.066 0.000 0.800 292 E CB 1.728 31.450 29.700 0.036 0.000 1.341 292 E HN 1.764 nan 8.360 nan 0.000 0.460 293 G N -0.403 108.573 108.800 0.293 0.000 2.160 293 G HA2 -0.083 3.878 3.960 0.001 0.000 0.244 293 G HA3 -0.083 3.878 3.960 0.001 0.000 0.244 293 G C 0.153 175.198 174.900 0.243 0.000 1.022 293 G CA 0.008 45.244 45.100 0.227 0.000 0.741 293 G HN 0.860 nan 8.290 nan 0.000 0.508 294 G N -0.622 108.359 108.800 0.302 0.000 2.816 294 G HA2 0.749 4.710 3.960 0.001 0.000 0.288 294 G HA3 0.749 4.710 3.960 0.001 0.000 0.288 294 G C -0.208 174.472 174.900 -0.366 0.000 1.334 294 G CA -0.087 45.016 45.100 0.004 0.000 0.978 294 G HN 0.975 nan 8.290 nan 0.000 0.493 295 N N -1.253 117.212 118.700 -0.392 0.000 2.458 295 N HA 0.300 5.040 4.740 0.001 0.000 0.271 295 N C 1.132 176.335 175.510 -0.512 0.000 1.210 295 N CA -0.800 52.044 53.050 -0.342 0.000 0.978 295 N CB 1.345 39.737 38.487 -0.158 0.000 1.206 295 N HN 0.310 nan 8.380 nan 0.000 0.536 296 L N -0.099 121.005 121.223 -0.197 0.000 2.079 296 L HA -0.129 4.211 4.340 0.001 0.000 0.210 296 L C 1.027 177.919 176.870 0.038 0.000 1.081 296 L CA 1.883 56.728 54.840 0.009 0.000 0.752 296 L CB -0.954 41.191 42.059 0.144 0.000 0.896 296 L HN 0.620 nan 8.230 nan 0.000 0.433 297 D N -0.784 119.613 120.400 -0.004 0.000 2.123 297 D HA -0.219 4.421 4.640 0.001 0.000 0.196 297 D C 2.172 178.507 176.300 0.059 0.000 0.992 297 D CA 1.391 55.409 54.000 0.030 0.000 0.833 297 D CB -0.045 40.756 40.800 0.001 0.000 0.954 297 D HN 0.545 nan 8.370 nan 0.000 0.455 298 Q N -0.735 119.066 119.800 0.001 0.000 2.079 298 Q HA -0.147 4.194 4.340 0.001 0.000 0.200 298 Q C 2.137 178.368 176.000 0.385 0.000 0.974 298 Q CA 0.840 56.719 55.803 0.127 0.000 0.840 298 Q CB -0.130 28.559 28.738 -0.081 0.000 0.898 298 Q HN 0.355 nan 8.270 nan 0.000 0.430 299 Y N 0.808 121.250 120.300 0.237 0.000 2.114 299 Y HA -0.227 4.324 4.550 0.001 0.000 0.282 299 Y C 2.292 178.320 175.900 0.214 0.000 1.165 299 Y CA 1.174 59.301 58.100 0.045 0.000 1.148 299 Y CB -0.545 37.585 38.460 -0.550 0.000 0.972 299 Y HN 0.045 nan 8.280 nan 0.000 0.504 300 R N -0.793 119.923 120.500 0.359 0.000 2.081 300 R HA -0.120 4.220 4.340 0.001 0.000 0.235 300 R C 2.227 178.678 176.300 0.252 0.000 1.131 300 R CA 1.944 58.251 56.100 0.345 0.000 0.960 300 R CB -0.705 29.746 30.300 0.252 0.000 0.856 300 R HN 0.278 nan 8.270 nan 0.000 0.436 301 T N 0.927 115.587 114.554 0.175 0.000 2.708 301 T HA -0.175 4.176 4.350 0.001 0.000 0.266 301 T C 1.419 176.169 174.700 0.083 0.000 1.037 301 T CA 1.421 63.526 62.100 0.008 0.000 1.146 301 T CB -0.385 68.393 68.868 -0.151 0.000 0.865 301 T HN 0.158 nan 8.240 nan 0.000 0.435 302 F N 1.003 121.073 119.950 0.200 0.000 2.046 302 F HA -0.162 4.365 4.527 0.001 0.000 0.297 302 F C 2.061 177.843 175.800 -0.030 0.000 1.123 302 F CA 1.305 59.418 58.000 0.188 0.000 1.199 302 F CB -0.508 38.550 39.000 0.098 0.000 0.972 302 F HN 0.134 nan 8.300 nan 0.000 0.474 303 Y N -0.037 120.465 120.300 0.338 0.000 2.293 303 Y HA -0.145 4.405 4.550 0.001 0.000 0.291 303 Y C 2.736 178.728 175.900 0.154 0.000 1.137 303 Y CA 1.358 59.591 58.100 0.222 0.000 1.202 303 Y CB -1.113 37.568 38.460 0.368 0.000 0.990 303 Y HN 0.019 nan 8.280 nan 0.000 0.537 304 S N -1.248 114.610 115.700 0.264 0.000 2.383 304 S HA -0.189 4.281 4.470 0.001 0.000 0.227 304 S C 2.190 176.926 174.600 0.228 0.000 1.026 304 S CA 1.306 59.642 58.200 0.227 0.000 0.981 304 S CB -0.751 62.536 63.200 0.145 0.000 0.818 304 S HN 0.528 nan 8.310 nan 0.000 0.472 305 C N 0.914 120.283 119.300 0.115 0.000 2.440 305 C HA 0.076 4.537 4.460 0.001 0.000 0.278 305 C C 2.480 177.490 174.990 0.032 0.000 1.295 305 C CA 0.285 59.372 59.018 0.115 0.000 1.738 305 C CB -1.234 26.554 27.740 0.079 0.000 1.987 305 C HN 0.491 nan 8.230 nan 0.000 0.492 306 L N 0.341 121.515 121.223 -0.081 0.000 2.027 306 L HA -0.109 4.231 4.340 0.001 0.000 0.206 306 L C 2.361 179.283 176.870 0.088 0.000 1.074 306 L CA 1.962 56.761 54.840 -0.068 0.000 0.745 306 L CB -1.343 40.634 42.059 -0.137 0.000 0.898 306 L HN 0.527 nan 8.230 nan 0.000 0.433 307 Y N 0.367 120.686 120.300 0.031 0.000 2.139 307 Y HA -0.294 4.257 4.550 0.001 0.000 0.282 307 Y C 2.412 178.302 175.900 -0.018 0.000 1.179 307 Y CA 1.897 59.973 58.100 -0.041 0.000 1.161 307 Y CB -0.311 38.000 38.460 -0.249 0.000 0.970 307 Y HN 0.112 nan 8.280 nan 0.000 0.511 308 R N 0.014 120.360 120.500 -0.256 0.000 2.189 308 R HA -0.022 4.318 4.340 0.001 0.000 0.218 308 R C 2.087 178.338 176.300 -0.082 0.000 1.074 308 R CA 1.073 57.006 56.100 -0.278 0.000 0.991 308 R CB -0.630 29.651 30.300 -0.031 0.000 0.883 308 R HN 0.349 nan 8.270 nan 0.000 0.457 309 S N 0.618 116.300 115.700 -0.029 0.000 2.562 309 S HA 0.150 4.620 4.470 0.001 0.000 0.221 309 S C 1.182 175.765 174.600 -0.028 0.000 0.975 309 S CA 0.293 58.506 58.200 0.022 0.000 0.918 309 S CB 0.213 63.434 63.200 0.035 0.000 0.772 309 S HN 0.181 nan 8.310 nan 0.000 0.531 310 L N 1.052 122.165 121.223 -0.184 0.000 3.154 310 L HA 0.426 4.766 4.340 0.001 0.000 0.266 310 L C 0.486 176.842 176.870 -0.856 0.000 1.300 310 L CA 0.103 54.576 54.840 -0.610 0.000 1.028 310 L CB 0.113 41.759 42.059 -0.688 0.000 1.412 310 L HN 0.207 nan 8.230 nan 0.000 0.564 311 L N -1.594 119.418 121.223 -0.351 0.000 2.694 311 L HA 0.355 4.696 4.340 0.001 0.000 0.228 311 L C -0.141 176.707 176.870 -0.038 0.000 1.048 311 L CA 0.221 54.915 54.840 -0.242 0.000 0.887 311 L CB 0.545 42.417 42.059 -0.312 0.000 1.265 311 L HN 0.045 nan 8.230 nan 0.000 0.492 312 F N 1.016 121.156 119.950 0.318 0.000 2.532 312 F HA 0.497 5.025 4.527 0.001 0.000 0.321 312 F C -2.192 173.806 175.800 0.329 0.000 1.089 312 F CA -2.503 55.717 58.000 0.365 0.000 0.926 312 F CB 1.153 40.308 39.000 0.259 0.000 1.168 312 F HN -0.277 nan 8.300 nan 0.000 0.459 313 P HA 0.168 nan 4.420 nan 0.000 0.274 313 P C -0.927 176.753 177.300 0.634 0.000 1.231 313 P CA -0.541 62.916 63.100 0.595 0.000 0.790 313 P CB 0.934 32.962 31.700 0.546 0.000 0.951 314 R N 1.464 122.244 120.500 0.467 0.000 2.615 314 R HA 0.313 4.654 4.340 0.001 0.000 0.270 314 R C -0.077 176.414 176.300 0.320 0.000 1.081 314 R CA -0.700 55.605 56.100 0.341 0.000 1.154 314 R CB 0.421 30.753 30.300 0.052 0.000 1.063 314 R HN 0.302 nan 8.270 nan 0.000 0.519 315 K N 1.230 121.666 120.400 0.060 0.000 2.448 315 K HA -0.030 4.291 4.320 0.001 0.000 0.278 315 K C -0.471 176.071 176.600 -0.096 0.000 1.009 315 K CA 0.351 56.365 56.287 -0.454 0.000 0.995 315 K CB 0.325 32.531 32.500 -0.490 0.000 0.917 315 K HN 0.531 nan 8.250 nan 0.000 0.481 316 F N 3.116 122.912 119.950 -0.257 0.000 2.775 316 F HA 0.146 4.673 4.527 0.001 0.000 0.313 316 F C -0.762 175.116 175.800 0.129 0.000 1.121 316 F CA -0.703 57.288 58.000 -0.016 0.000 1.206 316 F CB 0.491 39.488 39.000 -0.005 0.000 1.052 316 F HN 0.500 nan 8.300 nan 0.000 0.524 317 Y N -0.859 119.472 120.300 0.051 0.000 2.587 317 Y HA 0.833 5.384 4.550 0.001 0.000 0.337 317 Y C -0.650 175.305 175.900 0.091 0.000 1.065 317 Y CA -1.367 56.803 58.100 0.117 0.000 1.126 317 Y CB 0.809 39.359 38.460 0.149 0.000 1.279 317 Y HN 0.015 nan 8.280 nan 0.000 0.489 318 E N 1.092 121.460 120.200 0.280 0.000 2.392 318 E HA 0.507 4.858 4.350 0.001 0.000 0.269 318 E C -1.883 174.849 176.600 0.220 0.000 0.924 318 E CA -1.208 55.288 56.400 0.159 0.000 0.784 318 E CB 2.500 32.261 29.700 0.101 0.000 1.292 318 E HN 0.475 nan 8.360 nan 0.000 0.447 319 L N 2.485 123.800 121.223 0.154 0.000 2.272 319 L HA 0.235 4.575 4.340 0.001 0.000 0.289 319 L C -0.033 176.890 176.870 0.088 0.000 1.032 319 L CA -0.373 54.550 54.840 0.138 0.000 0.810 319 L CB 0.468 42.607 42.059 0.133 0.000 1.205 319 L HN 0.509 nan 8.230 nan 0.000 0.422 320 D N 2.273 122.714 120.400 0.069 0.000 2.414 320 D HA 0.234 4.875 4.640 0.001 0.000 0.259 320 D C 1.212 177.537 176.300 0.040 0.000 1.269 320 D CA 0.037 54.063 54.000 0.044 0.000 1.028 320 D CB 0.560 41.377 40.800 0.029 0.000 1.093 320 D HN 0.455 nan 8.370 nan 0.000 0.545 321 A N -0.029 122.809 122.820 0.030 0.000 1.948 321 A HA -0.235 4.086 4.320 0.001 0.000 0.220 321 A C 1.601 179.203 177.584 0.029 0.000 1.177 321 A CA 1.444 53.497 52.037 0.028 0.000 0.636 321 A CB -0.798 18.214 19.000 0.020 0.000 0.815 321 A HN 0.572 nan 8.150 nan 0.000 0.449 322 N N -0.541 118.175 118.700 0.027 0.000 2.370 322 N HA 0.176 4.917 4.740 0.001 0.000 0.198 322 N C 1.048 176.579 175.510 0.035 0.000 1.156 322 N CA 0.929 53.995 53.050 0.027 0.000 0.839 322 N CB 0.065 38.563 38.487 0.019 0.000 0.989 322 N HN 0.648 nan 8.380 nan 0.000 0.468 323 G N 0.532 109.359 108.800 0.045 0.000 2.179 323 G HA2 -0.260 3.700 3.960 0.001 0.000 0.257 323 G HA3 -0.260 3.700 3.960 0.001 0.000 0.257 323 G C -0.150 174.787 174.900 0.062 0.000 1.010 323 G CA 0.040 45.178 45.100 0.063 0.000 0.736 323 G HN 0.239 nan 8.290 nan 0.000 0.513 324 Q N 0.109 119.933 119.800 0.039 0.000 2.222 324 Q HA 0.440 4.780 4.340 0.001 0.000 0.252 324 Q C -2.346 173.653 176.000 -0.001 0.000 0.926 324 Q CA -2.100 53.703 55.803 0.001 0.000 0.899 324 Q CB 1.922 30.649 28.738 -0.019 0.000 1.250 324 Q HN 0.294 nan 8.270 nan 0.000 0.441 325 P HA 0.180 nan 4.420 nan 0.000 0.271 325 P C -0.480 176.802 177.300 -0.030 0.000 1.226 325 P CA 0.161 63.199 63.100 -0.104 0.000 0.765 325 P CB 0.371 31.659 31.700 -0.686 0.000 0.835 326 I N 0.987 121.625 120.570 0.114 0.000 3.042 326 I HA 0.681 4.851 4.170 0.001 0.000 0.310 326 I C -0.535 175.730 176.117 0.247 0.000 1.117 326 I CA -1.101 60.260 61.300 0.101 0.000 1.003 326 I CB 2.700 40.721 38.000 0.035 0.000 1.228 326 I HN 0.401 nan 8.210 nan 0.000 0.443 327 H N 1.423 120.586 119.070 0.155 0.000 3.012 327 H HA 0.336 4.892 4.556 0.001 0.000 0.367 327 H C -2.175 173.293 175.328 0.232 0.000 1.211 327 H CA -0.800 55.377 56.048 0.215 0.000 1.139 327 H CB 1.393 31.326 29.762 0.286 0.000 1.838 327 H HN 0.811 nan 8.280 nan 0.000 0.550 328 Y N 2.138 122.572 120.300 0.222 0.000 2.377 328 Y HA 0.211 4.761 4.550 0.001 0.000 0.330 328 Y C 0.313 176.464 175.900 0.418 0.000 1.108 328 Y CA -0.027 58.206 58.100 0.222 0.000 1.308 328 Y CB 1.008 39.598 38.460 0.216 0.000 1.216 328 Y HN 0.668 nan 8.280 nan 0.000 0.518 329 S N 8.379 123.925 115.700 -0.257 0.000 2.439 329 S HA 0.280 4.750 4.470 0.001 0.000 0.282 329 S C -1.763 172.490 174.600 -0.579 0.000 1.170 329 S CA -1.481 56.640 58.200 -0.131 0.000 1.054 329 S CB 0.607 63.792 63.200 -0.024 0.000 0.956 329 S HN 0.677 nan 8.310 nan 0.000 0.490 330 P HA 0.049 nan 4.420 nan 0.000 0.245 330 P C 0.016 176.910 177.300 -0.678 0.000 1.212 330 P CA 0.499 63.244 63.100 -0.591 0.000 0.774 330 P CB -0.130 31.039 31.700 -0.885 0.000 0.999 331 Y N 1.247 121.396 120.300 -0.251 0.000 2.500 331 Y HA 0.065 4.616 4.550 0.001 0.000 0.284 331 Y C 1.989 177.820 175.900 -0.115 0.000 1.118 331 Y CA 1.068 59.056 58.100 -0.187 0.000 1.241 331 Y CB -0.444 37.913 38.460 -0.171 0.000 1.171 331 Y HN 0.096 nan 8.280 nan 0.000 0.540 332 N N -1.769 116.933 118.700 0.004 0.000 2.118 332 N HA 0.219 4.960 4.740 0.001 0.000 0.226 332 N C 1.260 176.743 175.510 -0.045 0.000 1.305 332 N CA 0.660 53.707 53.050 -0.005 0.000 0.890 332 N CB 0.798 39.294 38.487 0.016 0.000 1.118 332 N HN 0.237 nan 8.380 nan 0.000 0.511 333 G N -0.120 108.580 108.800 -0.167 0.000 2.176 333 G HA2 -0.308 3.652 3.960 0.001 0.000 0.253 333 G HA3 -0.308 3.652 3.960 0.001 0.000 0.253 333 G C -0.287 174.609 174.900 -0.008 0.000 0.979 333 G CA 0.388 45.432 45.100 -0.092 0.000 0.641 333 G HN 0.506 nan 8.290 nan 0.000 0.530 334 Q N -0.520 119.239 119.800 -0.068 0.000 2.256 334 Q HA 0.618 4.959 4.340 0.001 0.000 0.232 334 Q C -0.038 175.958 176.000 -0.007 0.000 0.965 334 Q CA -0.644 55.157 55.803 -0.004 0.000 0.908 334 Q CB 2.209 30.936 28.738 -0.018 0.000 1.209 334 Q HN 0.167 nan 8.270 nan 0.000 0.489 335 V N 2.932 122.862 119.914 0.026 0.000 2.370 335 V HA 0.428 4.548 4.120 0.001 0.000 0.279 335 V C -0.369 175.662 176.094 -0.106 0.000 1.029 335 V CA -0.362 61.938 62.300 -0.000 0.000 0.870 335 V CB 0.573 32.428 31.823 0.054 0.000 0.984 335 V HN 0.517 nan 8.190 nan 0.000 0.451 336 L N 6.839 127.895 121.223 -0.279 0.000 2.409 336 L HA 0.597 4.938 4.340 0.001 0.000 0.262 336 L C -2.531 174.133 176.870 -0.344 0.000 0.992 336 L CA -1.976 52.681 54.840 -0.306 0.000 0.817 336 L CB 3.252 45.136 42.059 -0.291 0.000 1.350 336 L HN 0.382 nan 8.230 nan 0.000 0.411 337 P HA 0.340 nan 4.420 nan 0.000 0.272 337 P C -0.029 177.296 177.300 0.042 0.000 1.223 337 P CA 0.329 63.394 63.100 -0.059 0.000 0.784 337 P CB 1.044 32.722 31.700 -0.037 0.000 0.923 338 G N 0.262 109.077 108.800 0.025 0.000 2.479 338 G HA2 -0.059 3.902 3.960 0.001 0.000 0.686 338 G HA3 -0.059 3.902 3.960 0.001 0.000 0.686 338 G C -1.472 173.429 174.900 0.002 0.000 1.295 338 G CA -0.982 44.107 45.100 -0.018 0.000 0.922 338 G HN 0.283 nan 8.290 nan 0.000 0.582 339 Y N -0.793 119.508 120.300 0.001 0.000 2.314 339 Y HA 0.715 5.265 4.550 0.001 0.000 0.334 339 Y C 0.953 176.829 175.900 -0.040 0.000 1.266 339 Y CA 0.324 58.359 58.100 -0.108 0.000 1.391 339 Y CB 1.497 39.940 38.460 -0.028 0.000 1.306 339 Y HN 0.839 nan 8.280 nan 0.000 0.558 340 M N 2.542 122.314 119.600 0.286 0.000 2.373 340 M HA 0.523 5.004 4.480 0.001 0.000 0.290 340 M C -2.457 174.033 176.300 0.316 0.000 1.143 340 M CA -0.724 54.692 55.300 0.194 0.000 0.949 340 M CB 1.108 33.597 32.600 -0.186 0.000 1.756 340 M HN 0.384 nan 8.290 nan 0.000 0.494 341 F N 1.010 121.126 119.950 0.277 0.000 2.603 341 F HA 0.914 5.441 4.527 0.001 0.000 0.317 341 F C 0.222 176.127 175.800 0.175 0.000 1.066 341 F CA -0.368 57.804 58.000 0.287 0.000 0.941 341 F CB 2.616 41.785 39.000 0.282 0.000 1.291 341 F HN 0.652 nan 8.300 nan 0.000 0.472 342 T N -0.944 113.809 114.554 0.332 0.000 2.665 342 T HA 0.357 4.707 4.350 0.001 0.000 0.303 342 T C -1.990 172.878 174.700 0.281 0.000 1.334 342 T CA -0.492 61.700 62.100 0.153 0.000 1.011 342 T CB 0.972 69.702 68.868 -0.231 0.000 1.573 342 T HN 0.622 nan 8.240 nan 0.000 0.492 343 D N 0.932 121.484 120.400 0.253 0.000 2.778 343 D HA -0.096 4.544 4.640 0.001 0.000 0.246 343 D C -0.552 175.976 176.300 0.380 0.000 1.107 343 D CA 1.366 55.623 54.000 0.429 0.000 0.732 343 D CB -1.318 39.829 40.800 0.579 0.000 1.055 343 D HN 0.595 nan 8.370 nan 0.000 0.429 344 T N -1.240 113.351 114.554 0.063 0.000 2.894 344 T HA 0.625 4.976 4.350 0.001 0.000 0.309 344 T C -0.446 173.580 174.700 -1.124 0.000 1.208 344 T CA 0.004 61.919 62.100 -0.309 0.000 1.016 344 T CB 1.824 70.746 68.868 0.090 0.000 1.192 344 T HN 0.174 nan 8.240 nan 0.000 0.491 345 G N 2.394 110.208 108.800 -1.644 0.000 2.437 345 G HA2 0.537 4.497 3.960 0.001 0.000 0.315 345 G HA3 0.537 4.497 3.960 0.001 0.000 0.315 345 G C 0.416 175.035 174.900 -0.468 0.000 1.210 345 G CA -0.538 43.446 45.100 -1.860 0.000 0.943 345 G HN 0.602 nan 8.290 nan 0.000 0.471 346 F N 1.100 120.949 119.950 -0.169 0.000 2.216 346 F HA 0.034 4.562 4.527 0.001 0.000 0.300 346 F C 2.060 178.037 175.800 0.295 0.000 1.085 346 F CA -0.029 58.015 58.000 0.074 0.000 1.326 346 F CB -0.425 38.596 39.000 0.034 0.000 1.027 346 F HN 0.752 nan 8.300 nan 0.000 0.497 347 W N 1.732 123.214 121.300 0.304 0.000 2.331 347 W HA -0.247 4.414 4.660 0.001 0.000 0.291 347 W C 1.852 178.570 176.519 0.331 0.000 1.214 347 W CA 2.095 59.672 57.345 0.387 0.000 1.228 347 W CB -0.188 29.466 29.460 0.323 0.000 1.135 347 W HN -0.054 nan 8.180 nan 0.000 0.537 348 D N -1.466 119.134 120.400 0.333 0.000 2.202 348 D HA -0.111 4.530 4.640 0.001 0.000 0.214 348 D C 2.184 178.494 176.300 0.016 0.000 0.967 348 D CA 2.430 56.484 54.000 0.090 0.000 0.871 348 D CB -0.892 40.028 40.800 0.200 0.000 1.020 348 D HN 0.247 nan 8.370 nan 0.000 0.474 349 T N -0.644 114.028 114.554 0.197 0.000 3.100 349 T HA -0.022 4.328 4.350 0.001 0.000 0.253 349 T C 1.945 176.843 174.700 0.330 0.000 1.118 349 T CA -0.128 62.150 62.100 0.296 0.000 1.058 349 T CB -0.719 68.446 68.868 0.495 0.000 0.953 349 T HN 0.208 nan 8.240 nan 0.000 0.515 350 F N 2.229 122.271 119.950 0.153 0.000 2.269 350 F HA 0.165 4.692 4.527 0.001 0.000 0.301 350 F C 2.213 178.004 175.800 -0.015 0.000 1.082 350 F CA 0.211 58.219 58.000 0.013 0.000 1.360 350 F CB -0.436 38.519 39.000 -0.076 0.000 1.041 350 F HN -0.036 nan 8.300 nan 0.000 0.512 351 R N 0.305 120.310 120.500 -0.825 0.000 2.062 351 R HA -0.077 4.264 4.340 0.001 0.000 0.231 351 R C 1.879 177.987 176.300 -0.319 0.000 1.136 351 R CA 2.012 57.612 56.100 -0.832 0.000 0.948 351 R CB -0.699 29.171 30.300 -0.717 0.000 0.845 351 R HN 0.662 nan 8.270 nan 0.000 0.430 352 C N -3.081 116.171 119.300 -0.080 0.000 4.343 352 C HA 0.341 4.802 4.460 0.001 0.000 0.364 352 C C 1.744 176.905 174.990 0.285 0.000 1.825 352 C CA -0.871 58.170 59.018 0.039 0.000 1.833 352 C CB -0.595 27.122 27.740 -0.038 0.000 3.065 352 C HN 0.317 nan 8.230 nan 0.000 0.632 353 L N 1.135 122.491 121.223 0.222 0.000 2.007 353 L HA 0.185 4.526 4.340 0.001 0.000 0.205 353 L C 2.215 179.173 176.870 0.146 0.000 1.073 353 L CA 2.261 57.212 54.840 0.185 0.000 0.744 353 L CB -1.192 40.948 42.059 0.135 0.000 0.898 353 L HN 0.360 nan 8.230 nan 0.000 0.435 354 F N 0.692 120.737 119.950 0.159 0.000 2.134 354 F HA -0.087 4.440 4.527 0.001 0.000 0.299 354 F C -0.235 175.655 175.800 0.151 0.000 1.097 354 F CA 1.485 59.562 58.000 0.128 0.000 1.264 354 F CB -1.876 37.155 39.000 0.051 0.000 1.001 354 F HN 0.194 nan 8.300 nan 0.000 0.479 355 P HA -0.209 nan 4.420 nan 0.000 0.216 355 P C 1.849 179.445 177.300 0.494 0.000 1.150 355 P CA 1.173 64.462 63.100 0.315 0.000 0.843 355 P CB -0.033 31.776 31.700 0.181 0.000 0.787 356 L N -1.192 120.327 121.223 0.494 0.000 2.141 356 L HA -0.094 4.246 4.340 0.001 0.000 0.209 356 L C 2.041 179.099 176.870 0.312 0.000 1.094 356 L CA 1.655 56.682 54.840 0.312 0.000 0.763 356 L CB -1.268 40.814 42.059 0.038 0.000 0.908 356 L HN -0.097 nan 8.230 nan 0.000 0.437 357 L N -0.578 120.822 121.223 0.295 0.000 2.056 357 L HA -0.166 4.175 4.340 0.001 0.000 0.207 357 L C 2.146 179.189 176.870 0.288 0.000 1.078 357 L CA 0.957 55.980 54.840 0.307 0.000 0.749 357 L CB -0.800 41.336 42.059 0.129 0.000 0.901 357 L HN 0.320 nan 8.230 nan 0.000 0.433 358 N N 0.130 118.997 118.700 0.279 0.000 2.381 358 N HA -0.150 4.590 4.740 0.001 0.000 0.182 358 N C 1.723 177.480 175.510 0.411 0.000 1.025 358 N CA 1.026 54.236 53.050 0.266 0.000 0.888 358 N CB -0.076 38.506 38.487 0.158 0.000 0.965 358 N HN 0.223 nan 8.380 nan 0.000 0.438 359 L N -0.301 121.192 121.223 0.451 0.000 2.145 359 L HA 0.164 4.505 4.340 0.001 0.000 0.201 359 L C 1.684 178.816 176.870 0.438 0.000 1.075 359 L CA 1.336 56.478 54.840 0.503 0.000 0.773 359 L CB -0.052 42.279 42.059 0.453 0.000 0.936 359 L HN -0.046 nan 8.230 nan 0.000 0.451 360 M N -2.036 117.674 119.600 0.184 0.000 2.491 360 M HA 0.195 4.676 4.480 0.001 0.000 0.259 360 M C -0.053 175.907 176.300 -0.567 0.000 1.163 360 M CA 0.588 55.758 55.300 -0.217 0.000 1.109 360 M CB -0.009 32.273 32.600 -0.530 0.000 1.353 360 M HN 0.149 nan 8.290 nan 0.000 0.500 361 Y N -0.015 120.408 120.300 0.204 0.000 2.577 361 Y HA 0.314 4.865 4.550 0.001 0.000 0.307 361 Y C -1.669 174.271 175.900 0.067 0.000 0.940 361 Y CA -1.837 56.346 58.100 0.139 0.000 1.132 361 Y CB -0.294 38.273 38.460 0.179 0.000 1.184 361 Y HN 0.073 nan 8.280 nan 0.000 0.611 362 P HA -0.149 nan 4.420 nan 0.000 0.221 362 P C 1.557 178.887 177.300 0.050 0.000 1.150 362 P CA 1.690 64.871 63.100 0.134 0.000 0.800 362 P CB 0.278 32.089 31.700 0.186 0.000 0.787 363 S N -0.818 114.906 115.700 0.039 0.000 2.423 363 S HA -0.073 4.398 4.470 0.001 0.000 0.231 363 S C 2.012 176.559 174.600 -0.087 0.000 1.014 363 S CA 1.009 59.203 58.200 -0.009 0.000 0.965 363 S CB -1.698 61.514 63.200 0.020 0.000 0.785 363 S HN -0.029 nan 8.310 nan 0.000 0.495 364 V N 2.865 122.703 119.914 -0.127 0.000 2.307 364 V HA -0.114 4.006 4.120 0.001 0.000 0.245 364 V C 2.750 178.607 176.094 -0.395 0.000 1.045 364 V CA 2.017 64.107 62.300 -0.350 0.000 1.024 364 V CB -1.186 30.224 31.823 -0.689 0.000 0.651 364 V HN 0.495 nan 8.190 nan 0.000 0.449 365 N N 0.467 119.023 118.700 -0.240 0.000 2.289 365 N HA -0.189 4.552 4.740 0.001 0.000 0.184 365 N C 1.688 177.106 175.510 -0.154 0.000 1.016 365 N CA 1.288 54.238 53.050 -0.165 0.000 0.872 365 N CB -0.240 38.255 38.487 0.013 0.000 0.973 365 N HN 0.426 nan 8.380 nan 0.000 0.433 366 K N 1.395 121.715 120.400 -0.134 0.000 2.009 366 K HA -0.100 4.220 4.320 0.001 0.000 0.210 366 K C 1.595 178.081 176.600 -0.191 0.000 1.049 366 K CA 1.627 57.845 56.287 -0.116 0.000 0.929 366 K CB -0.393 32.060 32.500 -0.079 0.000 0.714 366 K HN 0.295 nan 8.250 nan 0.000 0.440 367 E N -0.128 119.873 120.200 -0.331 0.000 2.097 367 E HA -0.219 4.131 4.350 0.001 0.000 0.196 367 E C 2.103 178.529 176.600 -0.289 0.000 1.000 367 E CA 1.893 57.986 56.400 -0.511 0.000 0.804 367 E CB -0.224 29.163 29.700 -0.521 0.000 0.740 367 E HN 0.407 nan 8.360 nan 0.000 0.454 368 M N 0.385 119.647 119.600 -0.563 0.000 2.156 368 M HA -0.153 4.327 4.480 0.001 0.000 0.264 368 M C 2.258 178.504 176.300 -0.090 0.000 1.067 368 M CA 1.088 56.037 55.300 -0.585 0.000 1.131 368 M CB -0.042 32.201 32.600 -0.596 0.000 1.368 368 M HN -0.030 nan 8.290 nan 0.000 0.416 369 Q N 0.469 120.224 119.800 -0.075 0.000 2.119 369 Q HA -0.127 4.213 4.340 0.001 0.000 0.201 369 Q C 1.923 177.964 176.000 0.067 0.000 0.972 369 Q CA 1.191 56.985 55.803 -0.014 0.000 0.847 369 Q CB -0.454 28.259 28.738 -0.041 0.000 0.903 369 Q HN 0.516 nan 8.270 nan 0.000 0.433 370 E N 0.192 120.440 120.200 0.079 0.000 2.077 370 E HA -0.126 4.225 4.350 0.001 0.000 0.193 370 E C 2.065 178.800 176.600 0.225 0.000 0.989 370 E CA 1.204 57.705 56.400 0.168 0.000 0.800 370 E CB -0.469 29.376 29.700 0.241 0.000 0.746 370 E HN 0.483 nan 8.360 nan 0.000 0.452 371 G N 1.535 110.498 108.800 0.271 0.000 2.469 371 G HA2 -0.250 3.711 3.960 0.001 0.000 0.219 371 G HA3 -0.250 3.711 3.960 0.001 0.000 0.219 371 G C 1.746 176.796 174.900 0.249 0.000 1.150 371 G CA 0.801 46.089 45.100 0.313 0.000 0.763 371 G HN 0.191 nan 8.290 nan 0.000 0.561 372 L N 0.361 121.736 121.223 0.255 0.000 2.093 372 L HA -0.035 4.305 4.340 0.001 0.000 0.208 372 L C 2.802 179.901 176.870 0.381 0.000 1.085 372 L CA 0.234 55.274 54.840 0.334 0.000 0.755 372 L CB -0.394 41.847 42.059 0.303 0.000 0.904 372 L HN 0.117 nan 8.230 nan 0.000 0.435 373 I N 0.288 121.040 120.570 0.303 0.000 2.163 373 I HA -0.285 3.885 4.170 0.001 0.000 0.243 373 I C 2.261 178.458 176.117 0.132 0.000 1.085 373 I CA 1.488 62.926 61.300 0.229 0.000 1.347 373 I CB -1.330 36.773 38.000 0.173 0.000 1.044 373 I HN 0.371 nan 8.210 nan 0.000 0.408 374 N N 0.662 119.441 118.700 0.132 0.000 2.166 374 N HA -0.137 4.603 4.740 0.001 0.000 0.186 374 N C 1.827 177.344 175.510 0.010 0.000 1.019 374 N CA 1.743 54.853 53.050 0.100 0.000 0.856 374 N CB -0.526 38.044 38.487 0.138 0.000 0.993 374 N HN 0.359 nan 8.380 nan 0.000 0.426 375 T N 0.216 114.748 114.554 -0.037 0.000 2.720 375 T HA -0.181 4.169 4.350 0.001 0.000 0.268 375 T C 1.740 176.228 174.700 -0.353 0.000 1.037 375 T CA 1.105 63.007 62.100 -0.331 0.000 1.144 375 T CB -0.436 68.288 68.868 -0.239 0.000 0.864 375 T HN 0.343 nan 8.240 nan 0.000 0.444 376 Y N 1.484 121.554 120.300 -0.384 0.000 2.200 376 Y HA 0.020 4.571 4.550 0.001 0.000 0.290 376 Y C 2.013 177.695 175.900 -0.364 0.000 1.137 376 Y CA 0.987 58.762 58.100 -0.542 0.000 1.163 376 Y CB -0.385 37.435 38.460 -1.067 0.000 0.988 376 Y HN 0.104 nan 8.280 nan 0.000 0.518 377 L N -0.086 121.042 121.223 -0.159 0.000 2.046 377 L HA -0.217 4.124 4.340 0.001 0.000 0.208 377 L C 2.181 178.937 176.870 -0.191 0.000 1.077 377 L CA 1.903 56.653 54.840 -0.150 0.000 0.747 377 L CB -0.492 41.556 42.059 -0.019 0.000 0.896 377 L HN 0.261 nan 8.230 nan 0.000 0.432 378 E N -0.621 119.489 120.200 -0.150 0.000 2.158 378 E HA -0.117 4.233 4.350 0.001 0.000 0.191 378 E C 2.120 178.651 176.600 -0.115 0.000 0.982 378 E CA 1.293 57.639 56.400 -0.089 0.000 0.823 378 E CB 0.154 29.862 29.700 0.014 0.000 0.766 378 E HN 0.470 nan 8.360 nan 0.000 0.468 379 S N -1.829 113.739 115.700 -0.220 0.000 2.520 379 S HA 0.270 4.740 4.470 0.001 0.000 0.219 379 S C 1.597 176.148 174.600 -0.082 0.000 1.028 379 S CA 0.334 58.495 58.200 -0.064 0.000 0.921 379 S CB 1.058 64.246 63.200 -0.019 0.000 0.844 379 S HN 0.297 nan 8.310 nan 0.000 0.495 380 G N 0.343 108.858 108.800 -0.475 0.000 2.176 380 G HA2 -0.190 3.771 3.960 0.001 0.000 0.253 380 G HA3 -0.190 3.771 3.960 0.001 0.000 0.253 380 G C -0.140 174.116 174.900 -1.072 0.000 0.979 380 G CA 0.280 44.870 45.100 -0.851 0.000 0.641 380 G HN 0.537 nan 8.290 nan 0.000 0.530 381 F N -1.105 118.577 119.950 -0.446 0.000 2.619 381 F HA 0.704 5.231 4.527 0.001 0.000 0.308 381 F C 0.117 175.932 175.800 0.024 0.000 1.097 381 F CA -1.363 56.603 58.000 -0.057 0.000 0.953 381 F CB 1.111 40.107 39.000 -0.006 0.000 1.287 381 F HN -0.058 nan 8.300 nan 0.000 0.446 382 F N 3.638 123.877 119.950 0.482 0.000 2.450 382 F HA 0.323 4.850 4.527 0.001 0.000 0.339 382 F C -1.770 174.232 175.800 0.336 0.000 1.146 382 F CA -1.680 56.518 58.000 0.329 0.000 1.267 382 F CB 0.021 39.143 39.000 0.204 0.000 1.178 382 F HN 0.103 nan 8.300 nan 0.000 0.585 383 P HA 0.203 nan 4.420 nan 0.000 0.278 383 P C -0.510 176.969 177.300 0.297 0.000 1.266 383 P CA -0.189 63.171 63.100 0.434 0.000 0.807 383 P CB 1.777 33.662 31.700 0.308 0.000 1.094 384 E N -0.332 119.957 120.200 0.150 0.000 2.756 384 E HA 0.097 4.447 4.350 0.001 0.000 0.192 384 E C -0.237 176.282 176.600 -0.135 0.000 1.022 384 E CA 0.696 57.154 56.400 0.096 0.000 1.224 384 E CB -0.142 29.689 29.700 0.219 0.000 1.252 384 E HN 0.467 nan 8.360 nan 0.000 0.494 385 W N 1.131 122.429 121.300 -0.004 0.000 2.329 385 W HA 0.585 5.246 4.660 0.001 0.000 0.312 385 W C -0.767 175.747 176.519 -0.008 0.000 1.054 385 W CA -0.349 56.984 57.345 -0.019 0.000 1.245 385 W CB 1.513 30.985 29.460 0.020 0.000 1.255 385 W HN 0.030 nan 8.180 nan 0.000 0.436 386 A N 3.227 126.245 122.820 0.331 0.000 2.335 386 A HA 0.685 5.006 4.320 0.001 0.000 0.304 386 A C -0.780 176.927 177.584 0.205 0.000 1.118 386 A CA -0.534 51.612 52.037 0.181 0.000 0.757 386 A CB 1.774 20.819 19.000 0.075 0.000 1.188 386 A HN 0.320 nan 8.150 nan 0.000 0.460 387 S N 4.091 119.805 115.700 0.022 0.000 2.417 387 S HA 0.440 4.910 4.470 0.001 0.000 0.189 387 S C -2.454 171.915 174.600 -0.385 0.000 1.005 387 S CA -0.505 57.675 58.200 -0.033 0.000 1.116 387 S CB 1.088 64.395 63.200 0.179 0.000 1.343 387 S HN 0.472 nan 8.310 nan 0.000 0.406 388 P HA 0.218 nan 4.420 nan 0.000 0.226 388 P C 1.018 177.818 177.300 -0.834 0.000 1.161 388 P CA 0.531 63.106 63.100 -0.875 0.000 0.804 388 P CB 0.011 30.918 31.700 -1.320 0.000 0.829 389 G N -0.414 107.906 108.800 -0.800 0.000 2.531 389 G HA2 0.197 4.157 3.960 0.001 0.000 0.281 389 G HA3 0.197 4.157 3.960 0.001 0.000 0.281 389 G C -0.554 174.111 174.900 -0.391 0.000 1.382 389 G CA -0.401 44.157 45.100 -0.903 0.000 1.045 389 G HN 0.098 nan 8.290 nan 0.000 0.533 390 H N 0.886 119.907 119.070 -0.081 0.000 3.004 390 H HA 0.209 4.766 4.556 0.001 0.000 0.316 390 H C 0.338 175.598 175.328 -0.114 0.000 1.014 390 H CA 0.478 56.499 56.048 -0.045 0.000 1.454 390 H CB 0.459 30.128 29.762 -0.155 0.000 1.472 390 H HN 0.122 nan 8.280 nan 0.000 0.571 391 R N 1.518 122.064 120.500 0.077 0.000 2.670 391 R HA 0.315 4.655 4.340 0.001 0.000 0.289 391 R C 0.335 176.633 176.300 -0.003 0.000 0.965 391 R CA -0.984 55.110 56.100 -0.010 0.000 0.899 391 R CB 2.089 32.357 30.300 -0.053 0.000 1.173 391 R HN 0.769 nan 8.270 nan 0.000 0.456 392 G N 0.777 109.547 108.800 -0.050 0.000 2.444 392 G HA2 0.350 4.311 3.960 0.001 0.000 0.303 392 G HA3 0.350 4.311 3.960 0.001 0.000 0.303 392 G C -0.496 174.365 174.900 -0.065 0.000 1.032 392 G CA -0.045 45.029 45.100 -0.042 0.000 1.137 392 G HN 0.496 nan 8.290 nan 0.000 0.430 393 C N 5.316 124.601 119.300 -0.026 0.000 3.146 393 C HA 0.596 5.057 4.460 0.001 0.000 0.405 393 C C -0.107 174.924 174.990 0.068 0.000 1.012 393 C CA -0.582 58.389 59.018 -0.078 0.000 1.217 393 C CB 0.311 27.823 27.740 -0.380 0.000 1.599 393 C HN 1.036 nan 8.230 nan 0.000 0.567 394 M N 3.027 122.593 119.600 -0.058 0.000 7.319 394 M HA -0.140 4.340 4.480 0.001 0.000 0.127 394 M C 0.014 176.255 176.300 -0.098 0.000 0.480 394 M CA 1.861 57.039 55.300 -0.204 0.000 1.311 394 M CB -2.220 30.237 32.600 -0.239 0.000 0.421 394 M HN 1.889 nan 8.290 nan 0.000 0.549 395 V N -3.269 116.583 119.914 -0.103 0.000 3.181 395 V HA 1.018 5.139 4.120 0.001 0.000 0.307 395 V C 0.182 176.449 176.094 0.288 0.000 1.310 395 V CA 0.649 62.991 62.300 0.070 0.000 1.067 395 V CB 1.188 33.016 31.823 0.008 0.000 1.081 395 V HN 2.744 nan 8.190 nan 0.000 0.453 396 G N 0.722 109.676 108.800 0.256 0.000 2.746 396 G HA2 -0.164 3.797 3.960 0.001 0.000 0.685 396 G HA3 -0.164 3.797 3.960 0.001 0.000 0.685 396 G C -0.322 174.811 174.900 0.390 0.000 1.350 396 G CA 0.169 45.476 45.100 0.345 0.000 0.837 396 G HN 1.855 nan 8.290 nan 0.000 0.564 397 N N -0.099 118.808 118.700 0.346 0.000 2.598 397 N HA 0.137 4.877 4.740 0.001 0.000 0.309 397 N C 1.050 176.584 175.510 0.040 0.000 1.645 397 N CA 0.085 53.240 53.050 0.176 0.000 0.936 397 N CB -0.119 38.395 38.487 0.046 0.000 1.323 397 N HN 0.507 nan 8.380 nan 0.000 0.497 398 N N -0.489 118.241 118.700 0.049 0.000 2.550 398 N HA -0.119 4.622 4.740 0.001 0.000 0.186 398 N C 1.844 177.213 175.510 -0.235 0.000 1.110 398 N CA 0.610 53.556 53.050 -0.174 0.000 0.912 398 N CB 0.269 38.603 38.487 -0.254 0.000 0.968 398 N HN 0.327 nan 8.380 nan 0.000 0.448 399 S N 0.700 116.341 115.700 -0.099 0.000 2.407 399 S HA -0.258 4.213 4.470 0.001 0.000 0.235 399 S C 2.164 176.455 174.600 -0.516 0.000 1.036 399 S CA 1.016 58.991 58.200 -0.375 0.000 1.013 399 S CB -0.592 62.599 63.200 -0.015 0.000 0.820 399 S HN 0.387 nan 8.310 nan 0.000 0.476 400 A N 1.828 124.414 122.820 -0.391 0.000 1.892 400 A HA -0.138 4.183 4.320 0.001 0.000 0.218 400 A C 2.515 179.819 177.584 -0.465 0.000 1.188 400 A CA 2.373 54.147 52.037 -0.438 0.000 0.631 400 A CB -1.527 17.245 19.000 -0.379 0.000 0.822 400 A HN 0.663 nan 8.150 nan 0.000 0.447 401 S N -0.577 114.849 115.700 -0.457 0.000 2.368 401 S HA -0.123 4.348 4.470 0.001 0.000 0.224 401 S C 1.954 176.366 174.600 -0.314 0.000 1.029 401 S CA 1.364 59.350 58.200 -0.357 0.000 0.988 401 S CB -0.483 62.572 63.200 -0.240 0.000 0.838 401 S HN 0.381 nan 8.310 nan 0.000 0.462 402 I N 1.654 121.940 120.570 -0.472 0.000 2.127 402 I HA -0.173 3.998 4.170 0.001 0.000 0.241 402 I C 2.416 178.234 176.117 -0.499 0.000 1.075 402 I CA 1.402 62.329 61.300 -0.621 0.000 1.334 402 I CB -1.521 35.731 38.000 -1.246 0.000 1.040 402 I HN 0.367 nan 8.210 nan 0.000 0.405 403 L N -0.208 120.692 121.223 -0.539 0.000 2.044 403 L HA -0.140 4.201 4.340 0.001 0.000 0.205 403 L C 2.661 179.346 176.870 -0.308 0.000 1.075 403 L CA 0.750 55.316 54.840 -0.457 0.000 0.747 403 L CB -0.569 41.113 42.059 -0.628 0.000 0.903 403 L HN -0.004 nan 8.230 nan 0.000 0.435 404 V N -0.091 119.625 119.914 -0.329 0.000 2.358 404 V HA -0.310 3.811 4.120 0.001 0.000 0.246 404 V C 2.149 178.141 176.094 -0.170 0.000 1.047 404 V CA 2.128 64.269 62.300 -0.265 0.000 1.035 404 V CB -0.462 31.152 31.823 -0.348 0.000 0.658 404 V HN 0.477 nan 8.190 nan 0.000 0.452 405 D N 0.103 120.400 120.400 -0.172 0.000 2.144 405 D HA -0.148 4.493 4.640 0.001 0.000 0.199 405 D C 2.098 178.334 176.300 -0.108 0.000 0.984 405 D CA 1.492 55.419 54.000 -0.121 0.000 0.834 405 D CB -0.109 40.643 40.800 -0.081 0.000 0.955 405 D HN 0.382 nan 8.370 nan 0.000 0.465 406 A N -0.662 122.099 122.820 -0.098 0.000 1.858 406 A HA -0.170 4.151 4.320 0.001 0.000 0.216 406 A C 2.240 179.791 177.584 -0.055 0.000 1.190 406 A CA 1.513 53.512 52.037 -0.064 0.000 0.617 406 A CB -1.387 17.572 19.000 -0.067 0.000 0.827 406 A HN 0.478 nan 8.150 nan 0.000 0.443 407 Y N -0.132 120.075 120.300 -0.154 0.000 2.097 407 Y HA -0.243 4.308 4.550 0.001 0.000 0.282 407 Y C 2.352 178.166 175.900 -0.143 0.000 1.152 407 Y CA 2.277 60.293 58.100 -0.140 0.000 1.136 407 Y CB -0.174 38.189 38.460 -0.161 0.000 0.975 407 Y HN 0.213 nan 8.280 nan 0.000 0.498 408 M N 0.174 119.790 119.600 0.027 0.000 2.358 408 M HA -0.164 4.317 4.480 0.001 0.000 0.264 408 M C 1.200 177.397 176.300 -0.172 0.000 1.064 408 M CA 1.559 56.820 55.300 -0.065 0.000 1.093 408 M CB -0.805 31.734 32.600 -0.102 0.000 1.401 408 M HN 0.217 nan 8.290 nan 0.000 0.440 409 K N -0.454 119.817 120.400 -0.215 0.000 2.437 409 K HA 0.328 4.649 4.320 0.001 0.000 0.205 409 K C 0.788 177.291 176.600 -0.162 0.000 1.026 409 K CA 0.294 56.396 56.287 -0.309 0.000 1.153 409 K CB 0.161 32.359 32.500 -0.503 0.000 0.863 409 K HN 0.446 nan 8.250 nan 0.000 0.502 410 G N 0.908 109.598 108.800 -0.183 0.000 2.136 410 G HA2 -0.220 3.741 3.960 0.001 0.000 0.242 410 G HA3 -0.220 3.741 3.960 0.001 0.000 0.242 410 G C -0.024 174.804 174.900 -0.120 0.000 0.989 410 G CA -0.157 44.848 45.100 -0.159 0.000 0.682 410 G HN 0.159 nan 8.290 nan 0.000 0.522 411 V N 1.233 121.074 119.914 -0.121 0.000 2.288 411 V HA 0.418 4.538 4.120 0.001 0.000 0.266 411 V C 0.366 176.395 176.094 -0.109 0.000 1.048 411 V CA -0.214 62.042 62.300 -0.073 0.000 0.842 411 V CB 0.997 32.806 31.823 -0.023 0.000 1.064 411 V HN 0.319 nan 8.190 nan 0.000 0.472 412 K N 3.772 124.097 120.400 -0.125 0.000 2.358 412 K HA 0.588 4.908 4.320 0.001 0.000 0.260 412 K C -0.279 176.325 176.600 0.007 0.000 0.956 412 K CA -0.694 55.528 56.287 -0.109 0.000 0.834 412 K CB 2.438 34.772 32.500 -0.277 0.000 1.102 412 K HN 0.532 nan 8.250 nan 0.000 0.431 413 V N -0.394 119.566 119.914 0.076 0.000 2.924 413 V HA 0.047 4.167 4.120 0.001 0.000 0.305 413 V C 0.732 176.875 176.094 0.083 0.000 1.073 413 V CA -0.130 62.216 62.300 0.076 0.000 1.098 413 V CB 0.822 32.696 31.823 0.084 0.000 1.000 413 V HN 0.680 nan 8.190 nan 0.000 0.484 414 D N 0.976 121.418 120.400 0.071 0.000 2.117 414 D HA -0.100 4.540 4.640 0.001 0.000 0.198 414 D C 0.890 177.226 176.300 0.060 0.000 0.982 414 D CA 1.823 55.860 54.000 0.060 0.000 0.828 414 D CB -0.093 40.740 40.800 0.055 0.000 0.967 414 D HN 0.862 nan 8.370 nan 0.000 0.464 415 D N 0.181 120.618 120.400 0.061 0.000 2.619 415 D HA 0.069 4.710 4.640 0.001 0.000 0.224 415 D C 1.060 177.383 176.300 0.038 0.000 1.133 415 D CA -0.202 53.826 54.000 0.048 0.000 1.017 415 D CB -0.282 40.549 40.800 0.051 0.000 1.077 415 D HN 0.016 nan 8.370 nan 0.000 0.503 416 I N 1.225 121.813 120.570 0.032 0.000 2.454 416 I HA -0.173 3.997 4.170 0.001 0.000 0.254 416 I C 2.357 178.461 176.117 -0.021 0.000 1.156 416 I CA 0.784 62.078 61.300 -0.010 0.000 1.433 416 I CB -0.297 37.681 38.000 -0.037 0.000 1.082 416 I HN 0.171 nan 8.210 nan 0.000 0.432 417 K N 1.049 121.444 120.400 -0.008 0.000 1.991 417 K HA -0.196 4.124 4.320 0.001 0.000 0.212 417 K C 2.130 178.726 176.600 -0.008 0.000 1.049 417 K CA 2.241 58.528 56.287 -0.000 0.000 0.932 417 K CB -0.345 32.154 32.500 -0.002 0.000 0.717 417 K HN 0.254 nan 8.250 nan 0.000 0.441 418 T N 2.040 116.580 114.554 -0.024 0.000 2.720 418 T HA -0.174 4.177 4.350 0.001 0.000 0.268 418 T C 1.687 176.298 174.700 -0.148 0.000 1.037 418 T CA 1.389 63.436 62.100 -0.089 0.000 1.144 418 T CB -0.338 68.512 68.868 -0.030 0.000 0.864 418 T HN 0.238 nan 8.240 nan 0.000 0.444 419 L N 0.365 121.574 121.223 -0.022 0.000 1.971 419 L HA -0.158 4.182 4.340 0.001 0.000 0.215 419 L C 2.138 178.959 176.870 -0.082 0.000 1.072 419 L CA 1.944 56.788 54.840 0.006 0.000 0.758 419 L CB -1.055 40.974 42.059 -0.050 0.000 0.889 419 L HN 0.311 nan 8.230 nan 0.000 0.433 420 Y N 0.378 120.559 120.300 -0.198 0.000 2.200 420 Y HA -0.176 4.375 4.550 0.001 0.000 0.290 420 Y C 2.491 178.280 175.900 -0.184 0.000 1.137 420 Y CA 2.081 60.046 58.100 -0.225 0.000 1.163 420 Y CB -0.158 38.165 38.460 -0.228 0.000 0.988 420 Y HN 0.411 nan 8.280 nan 0.000 0.518 421 E N -0.742 119.377 120.200 -0.135 0.000 2.110 421 E HA -0.170 4.180 4.350 0.001 0.000 0.193 421 E C 2.360 178.786 176.600 -0.289 0.000 0.988 421 E CA 0.893 57.187 56.400 -0.176 0.000 0.804 421 E CB -0.455 29.195 29.700 -0.082 0.000 0.745 421 E HN 0.640 nan 8.360 nan 0.000 0.458 422 G N 1.200 109.709 108.800 -0.486 0.000 2.402 422 G HA2 -0.218 3.742 3.960 0.001 0.000 0.216 422 G HA3 -0.218 3.742 3.960 0.001 0.000 0.216 422 G C 1.582 176.417 174.900 -0.110 0.000 1.162 422 G CA 0.369 45.020 45.100 -0.749 0.000 0.777 422 G HN 0.072 nan 8.290 nan 0.000 0.539 423 L N 0.530 121.659 121.223 -0.156 0.000 2.017 423 L HA -0.067 4.274 4.340 0.001 0.000 0.208 423 L C 2.789 179.483 176.870 -0.294 0.000 1.073 423 L CA 0.539 55.218 54.840 -0.267 0.000 0.745 423 L CB -0.349 41.416 42.059 -0.491 0.000 0.894 423 L HN 0.102 nan 8.230 nan 0.000 0.432 424 I N -0.618 119.713 120.570 -0.399 0.000 2.264 424 I HA -0.342 3.829 4.170 0.001 0.000 0.248 424 I C 2.573 178.619 176.117 -0.118 0.000 1.111 424 I CA 1.659 62.813 61.300 -0.243 0.000 1.382 424 I CB -1.619 36.236 38.000 -0.242 0.000 1.060 424 I HN 0.457 nan 8.210 nan 0.000 0.418 425 H N 1.440 120.407 119.070 -0.173 0.000 2.353 425 H HA -0.111 4.446 4.556 0.001 0.000 0.300 425 H C 2.156 177.400 175.328 -0.140 0.000 1.090 425 H CA 1.810 57.770 56.048 -0.147 0.000 1.327 425 H CB -0.046 29.656 29.762 -0.099 0.000 1.383 425 H HN 0.304 nan 8.280 nan 0.000 0.508 426 G N -0.165 108.619 108.800 -0.027 0.000 2.448 426 G HA2 -0.271 3.690 3.960 0.001 0.000 0.219 426 G HA3 -0.271 3.690 3.960 0.001 0.000 0.219 426 G C 1.846 176.653 174.900 -0.154 0.000 1.127 426 G CA 1.406 46.505 45.100 -0.002 0.000 0.766 426 G HN 0.609 nan 8.290 nan 0.000 0.552 427 T N -0.944 113.506 114.554 -0.174 0.000 3.085 427 T HA 0.074 4.424 4.350 0.001 0.000 0.263 427 T C 1.395 175.942 174.700 -0.255 0.000 1.127 427 T CA 1.364 63.371 62.100 -0.155 0.000 1.103 427 T CB -0.088 68.803 68.868 0.037 0.000 0.921 427 T HN 0.603 nan 8.240 nan 0.000 0.510 428 E N -0.099 119.813 120.200 -0.480 0.000 2.945 428 E HA 0.273 4.623 4.350 0.001 0.000 0.196 428 E C -0.629 175.172 176.600 -1.331 0.000 0.965 428 E CA -0.775 55.089 56.400 -0.893 0.000 1.270 428 E CB 0.289 29.750 29.700 -0.398 0.000 1.045 428 E HN 0.267 nan 8.360 nan 0.000 0.474 429 N N 0.825 118.958 118.700 -0.946 0.000 2.242 429 N HA 0.345 5.085 4.740 0.001 0.000 0.292 429 N C -1.814 173.635 175.510 -0.102 0.000 1.125 429 N CA -0.575 52.143 53.050 -0.553 0.000 0.783 429 N CB 3.039 41.227 38.487 -0.498 0.000 1.558 429 N HN 0.000 nan 8.380 nan 0.000 0.472 430 V N 1.458 121.433 119.914 0.102 0.000 2.604 430 V HA 0.231 4.352 4.120 0.001 0.000 0.305 430 V C -0.125 175.998 176.094 0.049 0.000 1.043 430 V CA -0.585 61.786 62.300 0.117 0.000 0.888 430 V CB 1.410 33.333 31.823 0.166 0.000 0.995 430 V HN 0.705 nan 8.190 nan 0.000 0.429 431 H N 8.560 127.352 119.070 -0.463 0.000 3.094 431 H HA 0.122 4.679 4.556 0.001 0.000 0.320 431 H C -1.645 173.589 175.328 -0.157 0.000 1.000 431 H CA -0.371 55.341 56.048 -0.559 0.000 1.413 431 H CB 1.847 31.111 29.762 -0.831 0.000 1.405 431 H HN 0.534 nan 8.280 nan 0.000 0.586 432 P HA -0.070 nan 4.420 nan 0.000 0.225 432 P C 0.600 177.937 177.300 0.061 0.000 1.148 432 P CA 1.125 64.202 63.100 -0.038 0.000 0.779 432 P CB 0.510 32.161 31.700 -0.081 0.000 0.780 433 E N -1.028 119.310 120.200 0.230 0.000 2.354 433 E HA 0.107 4.458 4.350 0.001 0.000 0.203 433 E C -0.007 176.666 176.600 0.122 0.000 0.841 433 E CA 0.198 56.717 56.400 0.197 0.000 1.046 433 E CB 0.825 30.667 29.700 0.237 0.000 1.040 433 E HN -0.077 nan 8.360 nan 0.000 0.504 434 V N 3.105 123.077 119.914 0.097 0.000 2.277 434 V HA 0.015 4.136 4.120 0.001 0.000 0.269 434 V C 1.109 177.151 176.094 -0.086 0.000 1.036 434 V CA 0.061 62.291 62.300 -0.116 0.000 0.821 434 V CB 0.910 32.509 31.823 -0.374 0.000 1.052 434 V HN 0.225 nan 8.190 nan 0.000 0.462 435 S N 2.548 118.235 115.700 -0.020 0.000 2.500 435 S HA -0.127 4.344 4.470 0.001 0.000 0.239 435 S C 1.752 176.359 174.600 0.012 0.000 0.989 435 S CA 1.145 59.349 58.200 0.008 0.000 0.951 435 S CB -0.194 63.022 63.200 0.027 0.000 0.759 435 S HN 0.885 nan 8.310 nan 0.000 0.523 436 S N -0.193 115.503 115.700 -0.006 0.000 2.575 436 S HA 0.196 4.666 4.470 0.001 0.000 0.215 436 S C 0.355 174.965 174.600 0.016 0.000 0.966 436 S CA -0.400 57.823 58.200 0.037 0.000 0.911 436 S CB -0.318 62.921 63.200 0.065 0.000 0.780 436 S HN 0.371 nan 8.310 nan 0.000 0.514 437 T N 2.475 116.960 114.554 -0.115 0.000 2.771 437 T HA 0.660 5.011 4.350 0.001 0.000 0.281 437 T C 0.678 175.230 174.700 -0.246 0.000 0.982 437 T CA 0.260 62.215 62.100 -0.242 0.000 0.978 437 T CB 0.886 69.385 68.868 -0.615 0.000 0.930 437 T HN 0.801 nan 8.240 nan 0.000 0.447 438 G N 3.424 112.221 108.800 -0.005 0.000 2.593 438 G HA2 -0.207 3.753 3.960 0.001 0.000 0.237 438 G HA3 -0.207 3.753 3.960 0.001 0.000 0.237 438 G C -0.765 174.183 174.900 0.080 0.000 1.312 438 G CA -0.753 44.436 45.100 0.148 0.000 0.896 438 G HN 0.790 nan 8.290 nan 0.000 0.574 439 R N -0.375 120.147 120.500 0.037 0.000 2.310 439 R HA 0.456 4.797 4.340 0.001 0.000 0.316 439 R C -0.066 176.363 176.300 0.214 0.000 1.004 439 R CA -0.807 55.315 56.100 0.036 0.000 0.900 439 R CB 1.333 31.417 30.300 -0.360 0.000 1.152 439 R HN 0.555 nan 8.270 nan 0.000 0.513 440 L N 2.059 123.435 121.223 0.254 0.000 2.499 440 L HA 0.205 4.545 4.340 0.001 0.000 0.273 440 L C 1.148 178.189 176.870 0.286 0.000 1.195 440 L CA 1.581 56.563 54.840 0.236 0.000 0.882 440 L CB 0.686 42.840 42.059 0.158 0.000 1.133 440 L HN 0.923 nan 8.230 nan 0.000 0.483 441 G N 3.368 112.309 108.800 0.234 0.000 2.143 441 G HA2 -0.399 3.561 3.960 0.001 0.000 0.249 441 G HA3 -0.399 3.561 3.960 0.001 0.000 0.249 441 G C 0.544 175.580 174.900 0.227 0.000 0.981 441 G CA 0.805 46.051 45.100 0.245 0.000 0.665 441 G HN 1.150 nan 8.290 nan 0.000 0.528 442 Y N -0.770 119.607 120.300 0.128 0.000 2.207 442 Y HA 0.052 4.602 4.550 0.001 0.000 0.287 442 Y C 2.159 178.121 175.900 0.103 0.000 1.156 442 Y CA 1.819 59.962 58.100 0.072 0.000 1.182 442 Y CB -0.431 38.005 38.460 -0.039 0.000 0.979 442 Y HN 0.413 nan 8.280 nan 0.000 0.521 443 E N -0.134 119.606 120.200 -0.766 0.000 2.051 443 E HA -0.193 4.158 4.350 0.001 0.000 0.192 443 E C 1.918 178.331 176.600 -0.311 0.000 0.991 443 E CA 1.640 57.674 56.400 -0.610 0.000 0.799 443 E CB -0.422 28.802 29.700 -0.794 0.000 0.748 443 E HN 0.587 nan 8.360 nan 0.000 0.449 444 Y N -0.590 119.611 120.300 -0.166 0.000 2.128 444 Y HA -0.282 4.268 4.550 0.001 0.000 0.284 444 Y C 2.252 178.095 175.900 -0.096 0.000 1.154 444 Y CA 1.737 59.756 58.100 -0.135 0.000 1.149 444 Y CB -0.681 37.711 38.460 -0.115 0.000 0.976 444 Y HN 0.209 nan 8.280 nan 0.000 0.505 445 Y N 1.005 121.349 120.300 0.073 0.000 2.200 445 Y HA -0.219 4.331 4.550 0.001 0.000 0.290 445 Y C 1.985 177.903 175.900 0.031 0.000 1.137 445 Y CA 1.639 59.787 58.100 0.080 0.000 1.163 445 Y CB -0.416 38.174 38.460 0.216 0.000 0.988 445 Y HN 0.040 nan 8.280 nan 0.000 0.518 446 N N 0.592 119.360 118.700 0.113 0.000 2.244 446 N HA -0.138 4.602 4.740 0.001 0.000 0.183 446 N C 1.689 177.140 175.510 -0.098 0.000 1.016 446 N CA 1.648 54.696 53.050 -0.003 0.000 0.866 446 N CB -0.290 38.253 38.487 0.093 0.000 0.980 446 N HN 0.461 nan 8.380 nan 0.000 0.430 447 K N -0.101 120.237 120.400 -0.103 0.000 2.128 447 K HA 0.111 4.432 4.320 0.001 0.000 0.202 447 K C 1.224 177.736 176.600 -0.146 0.000 1.050 447 K CA 0.772 56.986 56.287 -0.121 0.000 0.966 447 K CB 0.012 32.431 32.500 -0.134 0.000 0.759 447 K HN -0.106 nan 8.250 nan 0.000 0.454 448 L N -0.331 120.770 121.223 -0.202 0.000 2.556 448 L HA 0.411 4.751 4.340 0.001 0.000 0.226 448 L C 1.237 177.943 176.870 -0.273 0.000 1.089 448 L CA 1.360 56.021 54.840 -0.299 0.000 0.864 448 L CB 0.496 42.223 42.059 -0.553 0.000 1.067 448 L HN 0.588 nan 8.230 nan 0.000 0.477 449 G N -0.808 107.822 108.800 -0.283 0.000 2.157 449 G HA2 -0.298 3.662 3.960 0.001 0.000 0.248 449 G HA3 -0.298 3.662 3.960 0.001 0.000 0.248 449 G C 0.106 174.975 174.900 -0.052 0.000 0.979 449 G CA 0.438 45.397 45.100 -0.236 0.000 0.650 449 G HN 0.427 nan 8.290 nan 0.000 0.529 450 Y N -3.065 117.199 120.300 -0.059 0.000 2.677 450 Y HA 0.629 5.180 4.550 0.001 0.000 0.334 450 Y C -0.484 175.541 175.900 0.208 0.000 1.196 450 Y CA -1.673 56.508 58.100 0.135 0.000 1.059 450 Y CB 0.800 39.284 38.460 0.039 0.000 1.315 450 Y HN 0.405 nan 8.280 nan 0.000 0.455 451 V N 3.217 123.345 119.914 0.356 0.000 2.408 451 V HA 0.374 4.495 4.120 0.001 0.000 0.267 451 V C -2.214 173.959 176.094 0.131 0.000 1.047 451 V CA -1.755 60.640 62.300 0.159 0.000 0.937 451 V CB 0.644 32.544 31.823 0.128 0.000 0.999 451 V HN 0.583 nan 8.190 nan 0.000 0.472 452 P HA 0.023 nan 4.420 nan 0.000 0.270 452 P C 0.141 177.428 177.300 -0.022 0.000 1.223 452 P CA 0.046 63.168 63.100 0.036 0.000 0.785 452 P CB 0.489 32.066 31.700 -0.204 0.000 0.923 453 Y N 1.833 122.080 120.300 -0.087 0.000 2.516 453 Y HA -0.050 4.501 4.550 0.001 0.000 0.291 453 Y C 0.796 176.631 175.900 -0.109 0.000 1.131 453 Y CA 1.082 59.112 58.100 -0.117 0.000 1.281 453 Y CB 0.182 38.576 38.460 -0.111 0.000 1.013 453 Y HN 0.271 nan 8.280 nan 0.000 0.554 454 D N 0.057 120.416 120.400 -0.068 0.000 2.891 454 D HA 0.070 4.711 4.640 0.001 0.000 0.312 454 D C 0.055 176.272 176.300 -0.139 0.000 1.354 454 D CA 0.226 54.169 54.000 -0.096 0.000 0.838 454 D CB -0.305 40.518 40.800 0.037 0.000 1.117 454 D HN 0.221 nan 8.370 nan 0.000 0.473 455 V N -2.843 116.941 119.914 -0.217 0.000 2.991 455 V HA 0.330 4.451 4.120 0.001 0.000 0.355 455 V C 0.469 176.472 176.094 -0.151 0.000 1.384 455 V CA -0.841 61.321 62.300 -0.229 0.000 1.171 455 V CB -0.117 31.379 31.823 -0.545 0.000 1.190 455 V HN 0.063 nan 8.190 nan 0.000 0.540 456 K N 0.298 120.616 120.400 -0.136 0.000 3.088 456 K HA -0.197 4.123 4.320 0.001 0.000 0.273 456 K C -0.111 176.438 176.600 -0.085 0.000 1.111 456 K CA 1.090 57.320 56.287 -0.095 0.000 0.803 456 K CB -2.101 30.371 32.500 -0.047 0.000 1.226 456 K HN 0.709 nan 8.250 nan 0.000 0.485 457 I N 2.112 122.606 120.570 -0.126 0.000 2.428 457 I HA 0.113 4.284 4.170 0.001 0.000 0.279 457 I C 0.335 176.375 176.117 -0.128 0.000 1.040 457 I CA -0.768 60.476 61.300 -0.094 0.000 1.171 457 I CB 0.807 38.763 38.000 -0.073 0.000 1.312 457 I HN -0.042 nan 8.210 nan 0.000 0.470 458 N N 5.091 123.734 118.700 -0.095 0.000 2.416 458 N HA 0.028 4.769 4.740 0.001 0.000 0.246 458 N C 0.393 175.824 175.510 -0.132 0.000 1.260 458 N CA 0.356 53.341 53.050 -0.108 0.000 0.897 458 N CB 0.302 38.800 38.487 0.019 0.000 1.110 458 N HN 0.492 nan 8.380 nan 0.000 0.439 459 E N -1.128 118.947 120.200 -0.208 0.000 2.637 459 E HA -0.264 4.086 4.350 0.001 0.000 0.265 459 E C 0.466 176.922 176.600 -0.240 0.000 1.073 459 E CA 0.445 56.709 56.400 -0.225 0.000 0.778 459 E CB -1.500 28.120 29.700 -0.134 0.000 1.362 459 E HN 0.700 nan 8.360 nan 0.000 0.413 460 N N 0.194 118.751 118.700 -0.238 0.000 2.166 460 N HA -0.168 4.572 4.740 0.001 0.000 0.186 460 N C 1.844 177.241 175.510 -0.189 0.000 1.019 460 N CA 1.393 54.337 53.050 -0.178 0.000 0.856 460 N CB -0.109 38.298 38.487 -0.133 0.000 0.993 460 N HN 0.266 nan 8.380 nan 0.000 0.426 461 A N 1.366 123.996 122.820 -0.317 0.000 1.930 461 A HA 0.295 4.616 4.320 0.001 0.000 0.215 461 A C 2.550 179.978 177.584 -0.260 0.000 1.176 461 A CA 1.297 53.145 52.037 -0.314 0.000 0.632 461 A CB -0.737 17.885 19.000 -0.631 0.000 0.819 461 A HN 0.431 nan 8.150 nan 0.000 0.445 462 A N 0.265 122.835 122.820 -0.417 0.000 1.883 462 A HA -0.192 4.129 4.320 0.001 0.000 0.217 462 A C 2.232 179.692 177.584 -0.208 0.000 1.186 462 A CA 1.636 53.381 52.037 -0.487 0.000 0.624 462 A CB -0.511 18.084 19.000 -0.675 0.000 0.822 462 A HN 0.547 nan 8.150 nan 0.000 0.444 463 R N -0.941 119.387 120.500 -0.287 0.000 2.083 463 R HA -0.115 4.226 4.340 0.001 0.000 0.237 463 R C 2.336 178.217 176.300 -0.697 0.000 1.137 463 R CA 1.976 57.733 56.100 -0.572 0.000 0.951 463 R CB -0.984 28.956 30.300 -0.600 0.000 0.851 463 R HN 0.543 nan 8.270 nan 0.000 0.434 464 T N 1.644 116.043 114.554 -0.257 0.000 2.684 464 T HA -0.125 4.225 4.350 0.001 0.000 0.267 464 T C 1.906 176.757 174.700 0.252 0.000 1.036 464 T CA 1.207 63.377 62.100 0.117 0.000 1.148 464 T CB -0.188 68.846 68.868 0.276 0.000 0.863 464 T HN 0.126 nan 8.240 nan 0.000 0.436 465 L N 0.531 121.878 121.223 0.208 0.000 2.056 465 L HA -0.074 4.266 4.340 0.001 0.000 0.207 465 L C 2.777 179.883 176.870 0.394 0.000 1.078 465 L CA 1.366 56.408 54.840 0.336 0.000 0.749 465 L CB -0.492 41.770 42.059 0.339 0.000 0.901 465 L HN 0.331 nan 8.230 nan 0.000 0.433 466 E N -0.883 119.506 120.200 0.316 0.000 2.107 466 E HA -0.193 4.158 4.350 0.001 0.000 0.191 466 E C 2.194 179.015 176.600 0.368 0.000 0.982 466 E CA 0.890 57.514 56.400 0.375 0.000 0.809 466 E CB -0.096 29.808 29.700 0.341 0.000 0.756 466 E HN 0.403 nan 8.360 nan 0.000 0.459 467 Y N 1.070 121.454 120.300 0.141 0.000 2.151 467 Y HA -0.218 4.333 4.550 0.001 0.000 0.284 467 Y C 2.516 178.531 175.900 0.192 0.000 1.166 467 Y CA 0.707 58.808 58.100 0.002 0.000 1.163 467 Y CB -1.263 36.927 38.460 -0.450 0.000 0.974 467 Y HN 0.035 nan 8.280 nan 0.000 0.511 468 A N -0.434 122.708 122.820 0.538 0.000 1.883 468 A HA -0.288 4.032 4.320 0.001 0.000 0.217 468 A C 2.201 179.959 177.584 0.290 0.000 1.186 468 A CA 1.890 54.239 52.037 0.519 0.000 0.624 468 A CB -1.532 17.851 19.000 0.638 0.000 0.822 468 A HN 0.531 nan 8.150 nan 0.000 0.444 469 Y N 1.367 121.762 120.300 0.159 0.000 2.181 469 Y HA -0.207 4.343 4.550 0.001 0.000 0.288 469 Y C 1.825 177.718 175.900 -0.011 0.000 1.146 469 Y CA 1.858 59.913 58.100 -0.075 0.000 1.164 469 Y CB -0.314 38.282 38.460 0.227 0.000 0.982 469 Y HN 0.371 nan 8.280 nan 0.000 0.515 470 D N 0.277 120.573 120.400 -0.174 0.000 2.097 470 D HA -0.193 4.447 4.640 0.001 0.000 0.195 470 D C 1.725 177.888 176.300 -0.228 0.000 0.989 470 D CA 1.689 55.506 54.000 -0.305 0.000 0.827 470 D CB -0.435 40.300 40.800 -0.108 0.000 0.966 470 D HN 0.443 nan 8.370 nan 0.000 0.456 471 D N -0.226 120.165 120.400 -0.015 0.000 2.149 471 D HA -0.156 4.485 4.640 0.001 0.000 0.198 471 D C 1.855 178.163 176.300 0.014 0.000 0.990 471 D CA 0.508 54.572 54.000 0.107 0.000 0.839 471 D CB -0.418 40.586 40.800 0.340 0.000 0.948 471 D HN 0.357 nan 8.370 nan 0.000 0.460 472 W N 1.292 122.424 121.300 -0.280 0.000 2.358 472 W HA -0.250 4.411 4.660 0.001 0.000 0.303 472 W C 2.296 178.655 176.519 -0.266 0.000 1.208 472 W CA 1.122 58.245 57.345 -0.370 0.000 1.274 472 W CB -0.465 28.606 29.460 -0.649 0.000 1.138 472 W HN -0.037 nan 8.180 nan 0.000 0.515 473 C N 0.350 119.406 119.300 -0.406 0.000 2.432 473 C HA -0.199 4.261 4.460 0.001 0.000 0.277 473 C C 2.700 177.342 174.990 -0.579 0.000 1.249 473 C CA 1.273 59.934 59.018 -0.595 0.000 1.725 473 C CB -1.509 25.919 27.740 -0.521 0.000 2.028 473 C HN 0.360 nan 8.230 nan 0.000 0.477 474 I N 0.037 120.300 120.570 -0.510 0.000 2.226 474 I HA -0.253 3.917 4.170 0.001 0.000 0.245 474 I C 2.527 178.334 176.117 -0.517 0.000 1.100 474 I CA 1.972 62.907 61.300 -0.608 0.000 1.374 474 I CB -0.715 36.733 38.000 -0.920 0.000 1.057 474 I HN 0.408 nan 8.210 nan 0.000 0.413 475 Y N 2.115 122.126 120.300 -0.481 0.000 2.151 475 Y HA -0.272 4.279 4.550 0.001 0.000 0.284 475 Y C 2.710 178.353 175.900 -0.429 0.000 1.166 475 Y CA 1.547 59.455 58.100 -0.320 0.000 1.163 475 Y CB -0.281 38.024 38.460 -0.259 0.000 0.974 475 Y HN -0.048 nan 8.280 nan 0.000 0.511 476 R N 0.117 120.157 120.500 -0.767 0.000 2.091 476 R HA -0.168 4.172 4.340 0.001 0.000 0.238 476 R C 2.260 178.209 176.300 -0.586 0.000 1.136 476 R CA 1.590 57.199 56.100 -0.819 0.000 0.959 476 R CB -1.115 28.616 30.300 -0.949 0.000 0.856 476 R HN 0.468 nan 8.270 nan 0.000 0.437 477 L N 0.638 121.563 121.223 -0.498 0.000 2.044 477 L HA -0.003 4.338 4.340 0.001 0.000 0.205 477 L C 2.303 178.949 176.870 -0.373 0.000 1.075 477 L CA 1.961 56.559 54.840 -0.404 0.000 0.747 477 L CB -0.779 41.053 42.059 -0.378 0.000 0.903 477 L HN 0.125 nan 8.230 nan 0.000 0.435 478 A N -0.365 122.269 122.820 -0.310 0.000 1.948 478 A HA -0.333 3.988 4.320 0.001 0.000 0.220 478 A C 2.449 179.844 177.584 -0.316 0.000 1.177 478 A CA 2.339 54.211 52.037 -0.275 0.000 0.636 478 A CB -0.698 18.251 19.000 -0.085 0.000 0.815 478 A HN 0.552 nan 8.150 nan 0.000 0.449 479 K N -0.435 119.723 120.400 -0.405 0.000 2.031 479 K HA -0.181 4.139 4.320 0.001 0.000 0.205 479 K C 2.025 178.469 176.600 -0.260 0.000 1.049 479 K CA 1.594 57.669 56.287 -0.355 0.000 0.939 479 K CB -0.159 32.023 32.500 -0.531 0.000 0.717 479 K HN 0.370 nan 8.250 nan 0.000 0.438 480 E N 0.466 120.501 120.200 -0.274 0.000 2.160 480 E HA -0.164 4.186 4.350 0.001 0.000 0.195 480 E C 1.349 177.851 176.600 -0.164 0.000 0.991 480 E CA 1.083 57.375 56.400 -0.181 0.000 0.810 480 E CB -0.076 29.532 29.700 -0.154 0.000 0.742 480 E HN 0.267 nan 8.360 nan 0.000 0.466 481 L N 0.741 121.817 121.223 -0.245 0.000 2.591 481 L HA 0.223 4.564 4.340 0.001 0.000 0.228 481 L C 0.161 176.899 176.870 -0.220 0.000 1.133 481 L CA 0.676 55.360 54.840 -0.261 0.000 0.880 481 L CB -0.441 41.364 42.059 -0.424 0.000 1.033 481 L HN 0.086 nan 8.230 nan 0.000 0.450 482 K N 0.044 120.332 120.400 -0.187 0.000 3.150 482 K HA -0.196 4.125 4.320 0.001 0.000 0.267 482 K C -0.066 176.445 176.600 -0.147 0.000 1.028 482 K CA 0.179 56.383 56.287 -0.139 0.000 0.753 482 K CB -1.040 31.401 32.500 -0.099 0.000 1.288 482 K HN 0.137 nan 8.250 nan 0.000 0.473 483 R N 0.063 120.451 120.500 -0.187 0.000 2.726 483 R HA 0.198 4.538 4.340 0.001 0.000 0.272 483 R C -2.079 174.174 176.300 -0.079 0.000 1.097 483 R CA -2.021 53.977 56.100 -0.169 0.000 1.198 483 R CB -0.532 29.640 30.300 -0.215 0.000 1.114 483 R HN 0.008 nan 8.270 nan 0.000 0.550 484 P HA 0.041 nan 4.420 nan 0.000 0.266 484 P C 0.420 177.729 177.300 0.014 0.000 1.195 484 P CA 0.116 63.210 63.100 -0.011 0.000 0.768 484 P CB 0.488 32.189 31.700 0.002 0.000 0.838 485 K N 2.626 123.036 120.400 0.017 0.000 2.113 485 K HA -0.239 4.081 4.320 0.001 0.000 0.208 485 K C 1.803 178.435 176.600 0.054 0.000 1.047 485 K CA 1.969 58.279 56.287 0.037 0.000 0.928 485 K CB -0.081 32.438 32.500 0.032 0.000 0.716 485 K HN 0.535 nan 8.250 nan 0.000 0.446 486 K N 0.695 121.119 120.400 0.040 0.000 2.211 486 K HA -0.144 4.176 4.320 0.001 0.000 0.203 486 K C 1.493 178.122 176.600 0.049 0.000 1.050 486 K CA 1.413 57.721 56.287 0.035 0.000 0.945 486 K CB 0.033 32.542 32.500 0.016 0.000 0.732 486 K HN 0.155 nan 8.250 nan 0.000 0.451 487 E N 1.154 121.406 120.200 0.087 0.000 2.015 487 E HA -0.124 4.226 4.350 0.001 0.000 0.191 487 E C 2.095 178.852 176.600 0.261 0.000 0.991 487 E CA 1.541 58.047 56.400 0.177 0.000 0.802 487 E CB -0.167 29.662 29.700 0.215 0.000 0.759 487 E HN 0.333 nan 8.360 nan 0.000 0.447 488 I N 1.051 121.740 120.570 0.198 0.000 2.264 488 I HA -0.280 3.890 4.170 0.001 0.000 0.248 488 I C 2.366 178.676 176.117 0.322 0.000 1.111 488 I CA 0.865 62.306 61.300 0.235 0.000 1.382 488 I CB -0.206 37.860 38.000 0.111 0.000 1.060 488 I HN 0.002 nan 8.210 nan 0.000 0.418 489 S N 0.644 116.464 115.700 0.200 0.000 2.406 489 S HA -0.099 4.372 4.470 0.001 0.000 0.228 489 S C 1.871 176.529 174.600 0.097 0.000 1.020 489 S CA 0.836 59.132 58.200 0.160 0.000 0.965 489 S CB -0.263 62.993 63.200 0.094 0.000 0.798 489 S HN 0.319 nan 8.310 nan 0.000 0.488 490 L N 0.831 122.057 121.223 0.005 0.000 2.056 490 L HA 0.045 4.386 4.340 0.001 0.000 0.207 490 L C 1.682 178.424 176.870 -0.214 0.000 1.078 490 L CA 1.843 56.573 54.840 -0.183 0.000 0.749 490 L CB -0.636 41.188 42.059 -0.392 0.000 0.901 490 L HN 0.192 nan 8.230 nan 0.000 0.433 491 F N -0.288 119.729 119.950 0.111 0.000 2.234 491 F HA 0.051 4.578 4.527 0.001 0.000 0.296 491 F C 2.507 178.369 175.800 0.102 0.000 1.089 491 F CA 0.905 58.970 58.000 0.108 0.000 1.343 491 F CB -1.267 37.790 39.000 0.095 0.000 1.040 491 F HN 0.159 nan 8.300 nan 0.000 0.498 492 A N 0.225 123.221 122.820 0.293 0.000 1.908 492 A HA -0.265 4.055 4.320 0.001 0.000 0.218 492 A C 2.337 180.059 177.584 0.231 0.000 1.181 492 A CA 2.040 54.168 52.037 0.153 0.000 0.627 492 A CB -0.759 18.400 19.000 0.265 0.000 0.818 492 A HN 0.332 nan 8.150 nan 0.000 0.445 493 K N -0.565 119.924 120.400 0.150 0.000 2.025 493 K HA -0.133 4.187 4.320 0.001 0.000 0.207 493 K C 2.276 178.932 176.600 0.094 0.000 1.049 493 K CA 1.425 57.769 56.287 0.095 0.000 0.933 493 K CB -0.190 32.324 32.500 0.023 0.000 0.714 493 K HN 0.423 nan 8.250 nan 0.000 0.438 494 R N -0.036 120.513 120.500 0.083 0.000 2.120 494 R HA -0.048 4.293 4.340 0.001 0.000 0.234 494 R C 2.205 178.652 176.300 0.245 0.000 1.123 494 R CA 1.037 57.205 56.100 0.113 0.000 0.975 494 R CB -0.252 30.128 30.300 0.134 0.000 0.866 494 R HN 0.243 nan 8.270 nan 0.000 0.446 495 A N 0.315 123.297 122.820 0.269 0.000 2.125 495 A HA -0.109 4.212 4.320 0.001 0.000 0.219 495 A C 1.628 179.558 177.584 0.576 0.000 1.156 495 A CA 1.117 53.370 52.037 0.361 0.000 0.671 495 A CB -0.082 19.020 19.000 0.171 0.000 0.794 495 A HN 0.120 nan 8.150 nan 0.000 0.459 496 M N -0.108 119.705 119.600 0.354 0.000 2.431 496 M HA 0.129 4.609 4.480 0.001 0.000 0.237 496 M C 0.715 176.946 176.300 -0.114 0.000 1.130 496 M CA 0.087 55.458 55.300 0.117 0.000 1.002 496 M CB -0.915 31.717 32.600 0.055 0.000 1.524 496 M HN 0.266 nan 8.290 nan 0.000 0.482 497 N N 0.532 119.296 118.700 0.107 0.000 2.453 497 N HA -0.157 4.583 4.740 0.001 0.000 0.183 497 N C 1.503 177.093 175.510 0.134 0.000 1.041 497 N CA 0.901 54.004 53.050 0.088 0.000 0.900 497 N CB -0.352 38.207 38.487 0.121 0.000 0.961 497 N HN 0.599 nan 8.380 nan 0.000 0.443 498 Y N 0.462 120.907 120.300 0.241 0.000 2.274 498 Y HA -0.019 4.532 4.550 0.001 0.000 0.290 498 Y C 1.783 177.774 175.900 0.152 0.000 1.145 498 Y CA 0.997 59.222 58.100 0.209 0.000 1.203 498 Y CB -0.559 38.022 38.460 0.202 0.000 0.984 498 Y HN -0.136 nan 8.280 nan 0.000 0.533 499 K N 0.598 120.695 120.400 -0.504 0.000 2.211 499 K HA -0.164 4.156 4.320 0.001 0.000 0.204 499 K C 1.488 178.083 176.600 -0.008 0.000 1.047 499 K CA 1.329 57.460 56.287 -0.260 0.000 0.935 499 K CB -0.279 31.983 32.500 -0.397 0.000 0.728 499 K HN 0.407 nan 8.250 nan 0.000 0.452 500 N N 0.722 119.416 118.700 -0.010 0.000 2.364 500 N HA -0.103 4.637 4.740 0.001 0.000 0.183 500 N C 1.152 176.616 175.510 -0.077 0.000 1.022 500 N CA 0.991 54.023 53.050 -0.030 0.000 0.883 500 N CB 0.127 38.634 38.487 0.033 0.000 0.965 500 N HN 0.229 nan 8.380 nan 0.000 0.438 501 L N -0.839 120.432 121.223 0.081 0.000 2.808 501 L HA 0.278 4.618 4.340 0.001 0.000 0.246 501 L C -0.017 177.014 176.870 0.269 0.000 1.153 501 L CA -0.431 54.503 54.840 0.156 0.000 0.956 501 L CB 0.034 42.141 42.059 0.081 0.000 1.270 501 L HN -0.088 nan 8.230 nan 0.000 0.528 502 F N 2.161 122.172 119.950 0.101 0.000 2.472 502 F HA 0.170 4.698 4.527 0.001 0.000 0.364 502 F C 0.507 176.172 175.800 -0.225 0.000 1.090 502 F CA -0.643 57.328 58.000 -0.048 0.000 1.188 502 F CB 0.483 39.472 39.000 -0.018 0.000 1.105 502 F HN -0.076 nan 8.300 nan 0.000 0.536 503 D N 5.783 125.491 120.400 -1.152 0.000 2.373 503 D HA 0.225 4.865 4.640 0.001 0.000 0.227 503 D C 0.881 176.518 176.300 -1.104 0.000 1.091 503 D CA 0.076 53.304 54.000 -1.286 0.000 0.840 503 D CB 1.552 41.492 40.800 -1.433 0.000 1.060 503 D HN 0.704 nan 8.370 nan 0.000 0.502 504 K N 2.958 123.008 120.400 -0.582 0.000 2.057 504 K HA -0.166 4.155 4.320 0.001 0.000 0.207 504 K C 2.010 178.460 176.600 -0.250 0.000 1.049 504 K CA 2.284 58.430 56.287 -0.234 0.000 0.931 504 K CB -1.500 30.995 32.500 -0.009 0.000 0.714 504 K HN 0.634 nan 8.250 nan 0.000 0.440 505 E N 1.117 121.150 120.200 -0.278 0.000 2.033 505 E HA -0.227 4.123 4.350 0.001 0.000 0.199 505 E C 2.286 178.764 176.600 -0.204 0.000 1.011 505 E CA 2.670 58.951 56.400 -0.199 0.000 0.815 505 E CB -1.141 28.445 29.700 -0.191 0.000 0.755 505 E HN 1.012 nan 8.360 nan 0.000 0.451 506 S N -0.917 114.601 115.700 -0.303 0.000 2.496 506 S HA 0.078 4.549 4.470 0.001 0.000 0.224 506 S C 1.114 175.511 174.600 -0.338 0.000 0.996 506 S CA 0.866 58.913 58.200 -0.254 0.000 0.927 506 S CB 0.096 63.189 63.200 -0.179 0.000 0.774 506 S HN 0.546 nan 8.310 nan 0.000 0.524 507 K N 0.198 120.307 120.400 -0.486 0.000 3.230 507 K HA -0.122 4.199 4.320 0.001 0.000 0.285 507 K C -0.869 175.388 176.600 -0.573 0.000 1.196 507 K CA 0.678 56.700 56.287 -0.442 0.000 0.838 507 K CB -2.110 30.345 32.500 -0.076 0.000 1.262 507 K HN 0.479 nan 8.250 nan 0.000 0.492 508 L N 0.092 120.827 121.223 -0.813 0.000 2.376 508 L HA 0.507 4.848 4.340 0.001 0.000 0.258 508 L C 0.315 176.830 176.870 -0.591 0.000 1.013 508 L CA -1.350 53.102 54.840 -0.647 0.000 0.822 508 L CB 1.438 43.134 42.059 -0.604 0.000 1.388 508 L HN -0.109 nan 8.230 nan 0.000 0.413 509 M N 1.893 121.315 119.600 -0.297 0.000 2.245 509 M HA 0.296 4.777 4.480 0.001 0.000 0.344 509 M C -0.286 175.994 176.300 -0.032 0.000 1.170 509 M CA 0.540 55.794 55.300 -0.077 0.000 1.135 509 M CB 0.394 33.080 32.600 0.143 0.000 1.574 509 M HN 0.523 nan 8.290 nan 0.000 0.452 510 R N 0.307 120.740 120.500 -0.112 0.000 2.626 510 R HA 0.549 4.890 4.340 0.001 0.000 0.274 510 R C -0.326 175.908 176.300 -0.109 0.000 1.031 510 R CA -0.484 55.440 56.100 -0.294 0.000 0.898 510 R CB 1.538 31.243 30.300 -0.992 0.000 1.222 510 R HN 0.892 nan 8.270 nan 0.000 0.455 511 G N 2.301 110.982 108.800 -0.198 0.000 2.484 511 G HA2 0.133 4.093 3.960 0.001 0.000 0.235 511 G HA3 0.133 4.093 3.960 0.001 0.000 0.235 511 G C -0.761 174.018 174.900 -0.202 0.000 1.282 511 G CA -0.193 44.790 45.100 -0.194 0.000 0.857 511 G HN 0.549 nan 8.290 nan 0.000 0.571 512 R N 1.428 121.799 120.500 -0.215 0.000 2.502 512 R HA 0.161 4.502 4.340 0.001 0.000 0.300 512 R C -0.219 176.010 176.300 -0.118 0.000 0.984 512 R CA -0.823 55.027 56.100 -0.416 0.000 0.882 512 R CB 0.805 30.512 30.300 -0.988 0.000 1.180 512 R HN 0.629 nan 8.270 nan 0.000 0.444 513 N N 2.001 120.646 118.700 -0.091 0.000 2.340 513 N HA -0.106 4.634 4.740 0.001 0.000 0.236 513 N C 0.721 176.286 175.510 0.091 0.000 1.296 513 N CA 0.158 53.227 53.050 0.032 0.000 0.896 513 N CB 0.765 39.255 38.487 0.005 0.000 1.127 513 N HN 0.723 nan 8.380 nan 0.000 0.442 514 E N 0.488 120.723 120.200 0.058 0.000 2.153 514 E HA -0.219 4.132 4.350 0.001 0.000 0.194 514 E C 0.308 176.939 176.600 0.051 0.000 0.988 514 E CA 1.198 57.621 56.400 0.039 0.000 0.811 514 E CB 0.047 29.738 29.700 -0.014 0.000 0.746 514 E HN 0.578 nan 8.360 nan 0.000 0.466 515 D N -1.221 119.196 120.400 0.029 0.000 2.363 515 D HA 0.013 4.653 4.640 0.001 0.000 0.226 515 D C 1.299 177.599 176.300 0.001 0.000 1.020 515 D CA 0.901 54.908 54.000 0.012 0.000 0.892 515 D CB 0.213 41.013 40.800 0.000 0.000 0.900 515 D HN 0.347 nan 8.370 nan 0.000 0.531 516 G N -0.144 108.662 108.800 0.010 0.000 2.213 516 G HA2 -0.263 3.697 3.960 0.001 0.000 0.236 516 G HA3 -0.263 3.697 3.960 0.001 0.000 0.236 516 G C 0.514 175.272 174.900 -0.237 0.000 0.991 516 G CA 0.340 45.400 45.100 -0.067 0.000 0.629 516 G HN 0.807 nan 8.290 nan 0.000 0.517 517 T N -0.365 114.087 114.554 -0.169 0.000 2.907 517 T HA 0.610 4.960 4.350 0.001 0.000 0.298 517 T C 0.354 174.898 174.700 -0.260 0.000 1.017 517 T CA -0.547 61.453 62.100 -0.166 0.000 1.118 517 T CB 1.205 70.032 68.868 -0.067 0.000 0.948 517 T HN 0.291 nan 8.240 nan 0.000 0.531 518 F N 2.136 121.974 119.950 -0.187 0.000 2.518 518 F HA 0.174 4.702 4.527 0.001 0.000 0.359 518 F C 1.404 177.045 175.800 -0.265 0.000 1.118 518 F CA -0.207 57.630 58.000 -0.270 0.000 1.287 518 F CB 0.575 39.379 39.000 -0.327 0.000 1.132 518 F HN 0.586 nan 8.300 nan 0.000 0.587 519 Q N 2.987 122.700 119.800 -0.145 0.000 2.262 519 Q HA 0.014 4.355 4.340 0.001 0.000 0.298 519 Q C -0.929 174.957 176.000 -0.189 0.000 1.083 519 Q CA 0.570 56.179 55.803 -0.323 0.000 0.962 519 Q CB 0.565 28.834 28.738 -0.782 0.000 1.104 519 Q HN 0.688 nan 8.270 nan 0.000 0.376 520 S N 5.248 120.883 115.700 -0.108 0.000 2.526 520 S HA 0.647 5.117 4.470 0.001 0.000 0.293 520 S C -2.303 172.299 174.600 0.002 0.000 1.092 520 S CA -0.995 57.190 58.200 -0.025 0.000 0.980 520 S CB 1.554 64.751 63.200 -0.006 0.000 1.048 520 S HN 0.626 nan 8.310 nan 0.000 0.483 521 P HA 0.399 nan 4.420 nan 0.000 0.277 521 P C -1.347 176.012 177.300 0.097 0.000 1.240 521 P CA -0.407 62.724 63.100 0.050 0.000 0.798 521 P CB 0.383 32.105 31.700 0.037 0.000 0.979 522 F N 1.556 121.460 119.950 -0.077 0.000 2.411 522 F HA 0.388 4.916 4.527 0.001 0.000 0.352 522 F C -0.628 175.140 175.800 -0.052 0.000 1.123 522 F CA -0.607 57.338 58.000 -0.091 0.000 1.044 522 F CB 1.120 40.036 39.000 -0.139 0.000 1.135 522 F HN 0.164 nan 8.300 nan 0.000 0.461 523 S N 8.500 123.861 115.700 -0.565 0.000 2.566 523 S HA 0.299 4.770 4.470 0.001 0.000 0.324 523 S C -1.983 172.167 174.600 -0.751 0.000 1.081 523 S CA -1.069 56.809 58.200 -0.537 0.000 1.105 523 S CB 1.365 64.464 63.200 -0.168 0.000 0.981 523 S HN 0.548 nan 8.310 nan 0.000 0.464 524 P HA 0.028 nan 4.420 nan 0.000 0.230 524 P C 0.496 177.714 177.300 -0.136 0.000 1.158 524 P CA 0.636 63.387 63.100 -0.582 0.000 0.769 524 P CB 0.107 31.526 31.700 -0.469 0.000 0.807 525 L N -1.311 119.896 121.223 -0.027 0.000 2.640 525 L HA 0.220 4.561 4.340 0.001 0.000 0.230 525 L C 1.241 178.261 176.870 0.250 0.000 1.123 525 L CA -0.230 54.691 54.840 0.135 0.000 0.900 525 L CB -0.101 42.045 42.059 0.145 0.000 1.146 525 L HN -0.151 nan 8.230 nan 0.000 0.484 526 K N 0.637 121.135 120.400 0.163 0.000 2.339 526 K HA 0.071 4.392 4.320 0.001 0.000 0.286 526 K C -1.054 175.770 176.600 0.373 0.000 1.050 526 K CA -0.535 55.926 56.287 0.290 0.000 0.956 526 K CB 0.533 33.146 32.500 0.188 0.000 0.990 526 K HN -0.101 nan 8.250 nan 0.000 0.475 527 W N 3.374 124.827 121.300 0.255 0.000 2.313 527 W HA 0.350 5.010 4.660 0.001 0.000 0.328 527 W C 1.027 177.705 176.519 0.266 0.000 1.197 527 W CA 1.132 58.673 57.345 0.326 0.000 1.235 527 W CB 0.733 30.431 29.460 0.397 0.000 1.158 527 W HN 1.003 nan 8.180 nan 0.000 0.578 528 G N 2.035 111.078 108.800 0.406 0.000 2.552 528 G HA2 -0.320 3.641 3.960 0.001 0.000 0.265 528 G HA3 -0.320 3.641 3.960 0.001 0.000 0.265 528 G C 0.490 175.095 174.900 -0.492 0.000 1.234 528 G CA 1.112 46.140 45.100 -0.120 0.000 0.944 528 G HN 0.784 nan 8.290 nan 0.000 0.568 529 D N -2.687 116.807 120.400 -1.510 0.000 4.508 529 D HA -0.198 4.443 4.640 0.001 0.000 0.178 529 D C 2.134 178.142 176.300 -0.486 0.000 0.644 529 D CA 4.185 57.640 54.000 -0.908 0.000 1.244 529 D CB -1.575 39.053 40.800 -0.287 0.000 0.727 529 D HN 1.844 nan 8.370 nan 0.000 0.495 530 A N -0.511 122.150 122.820 -0.265 0.000 2.014 530 A HA 0.265 4.586 4.320 0.001 0.000 0.218 530 A C 1.168 178.295 177.584 -0.762 0.000 1.163 530 A CA 1.387 53.152 52.037 -0.453 0.000 0.652 530 A CB -0.286 18.398 19.000 -0.526 0.000 0.808 530 A HN 0.256 nan 8.150 nan 0.000 0.449 531 F N -1.900 117.944 119.950 -0.177 0.000 2.631 531 F HA 0.550 5.078 4.527 0.001 0.000 0.350 531 F C 0.598 176.316 175.800 -0.137 0.000 1.080 531 F CA -0.452 57.412 58.000 -0.227 0.000 1.026 531 F CB 1.346 40.292 39.000 -0.091 0.000 1.347 531 F HN -0.202 nan 8.300 nan 0.000 0.501 532 T N -0.348 114.326 114.554 0.201 0.000 2.864 532 T HA 0.336 4.687 4.350 0.001 0.000 0.310 532 T C -0.617 174.363 174.700 0.466 0.000 1.040 532 T CA -0.321 61.946 62.100 0.279 0.000 0.977 532 T CB -0.035 68.909 68.868 0.127 0.000 0.976 532 T HN 0.695 nan 8.240 nan 0.000 0.459 533 E N 1.912 122.381 120.200 0.449 0.000 2.389 533 E HA -0.148 4.202 4.350 0.001 0.000 0.243 533 E C 0.270 177.010 176.600 0.234 0.000 1.154 533 E CA 0.686 57.344 56.400 0.431 0.000 0.723 533 E CB -1.523 28.329 29.700 0.252 0.000 1.261 533 E HN 1.137 nan 8.360 nan 0.000 0.390 534 G N 0.090 108.913 108.800 0.038 0.000 2.466 534 G HA2 0.416 4.377 3.960 0.001 0.000 0.291 534 G HA3 0.416 4.377 3.960 0.001 0.000 0.291 534 G C -1.075 173.585 174.900 -0.400 0.000 1.460 534 G CA -0.346 44.456 45.100 -0.497 0.000 0.791 534 G HN 0.115 nan 8.290 nan 0.000 0.505 535 N N -1.458 116.896 118.700 -0.578 0.000 2.725 535 N HA 0.562 5.302 4.740 0.001 0.000 0.312 535 N C 1.371 176.365 175.510 -0.859 0.000 1.295 535 N CA 0.160 52.862 53.050 -0.581 0.000 0.914 535 N CB 1.070 39.255 38.487 -0.503 0.000 1.177 535 N HN 0.470 nan 8.380 nan 0.000 0.601 536 S N -1.342 113.835 115.700 -0.871 0.000 2.382 536 S HA -0.086 4.384 4.470 0.001 0.000 0.228 536 S C 1.094 175.282 174.600 -0.686 0.000 1.027 536 S CA 0.891 58.512 58.200 -0.965 0.000 0.991 536 S CB -0.643 62.292 63.200 -0.442 0.000 0.823 536 S HN 0.554 nan 8.310 nan 0.000 0.469 537 W N 0.978 121.945 121.300 -0.554 0.000 2.387 537 W HA -0.055 4.606 4.660 0.001 0.000 0.272 537 W C 2.162 178.502 176.519 -0.298 0.000 1.224 537 W CA 1.264 58.353 57.345 -0.427 0.000 1.210 537 W CB -0.268 28.945 29.460 -0.412 0.000 1.125 537 W HN 0.592 nan 8.180 nan 0.000 0.572 538 H N -3.846 115.174 119.070 -0.082 0.000 2.388 538 H HA -0.018 4.538 4.556 0.001 0.000 0.304 538 H C 1.376 176.622 175.328 -0.137 0.000 1.049 538 H CA 1.243 57.231 56.048 -0.100 0.000 1.371 538 H CB -0.453 29.127 29.762 -0.304 0.000 1.436 538 H HN 0.053 nan 8.280 nan 0.000 0.544 539 Y N 0.731 120.911 120.300 -0.200 0.000 2.519 539 Y HA -0.102 4.449 4.550 0.001 0.000 0.287 539 Y C 2.266 178.068 175.900 -0.164 0.000 1.128 539 Y CA 0.598 58.630 58.100 -0.112 0.000 1.282 539 Y CB 0.310 38.741 38.460 -0.048 0.000 1.027 539 Y HN 0.143 nan 8.280 nan 0.000 0.551 540 T N -0.771 113.586 114.554 -0.328 0.000 2.803 540 T HA -0.252 4.098 4.350 0.001 0.000 0.269 540 T C 0.943 175.329 174.700 -0.525 0.000 1.052 540 T CA 1.834 63.613 62.100 -0.535 0.000 1.136 540 T CB -0.455 67.840 68.868 -0.955 0.000 0.864 540 T HN 0.517 nan 8.240 nan 0.000 0.467 541 W N 1.373 122.627 121.300 -0.077 0.000 3.077 541 W HA 0.254 4.915 4.660 0.001 0.000 0.245 541 W C 1.172 177.605 176.519 -0.143 0.000 1.316 541 W CA -0.505 56.778 57.345 -0.104 0.000 1.537 541 W CB -0.326 29.021 29.460 -0.189 0.000 1.131 541 W HN -0.052 nan 8.180 nan 0.000 0.695 542 S N 1.308 116.966 115.700 -0.070 0.000 4.175 542 S HA 0.218 4.688 4.470 0.001 0.000 0.193 542 S C 0.179 174.471 174.600 -0.513 0.000 1.373 542 S CA 0.092 58.019 58.200 -0.455 0.000 0.908 542 S CB -0.401 62.838 63.200 0.065 0.000 1.547 542 S HN -0.033 nan 8.310 nan 0.000 0.440 543 V N 2.955 122.451 119.914 -0.697 0.000 2.637 543 V HA 0.188 4.308 4.120 0.001 0.000 0.296 543 V C 0.324 176.102 176.094 -0.527 0.000 1.118 543 V CA -0.469 61.501 62.300 -0.549 0.000 1.230 543 V CB -0.617 30.791 31.823 -0.692 0.000 1.360 543 V HN 0.640 nan 8.190 nan 0.000 0.620 544 F N 0.485 120.282 119.950 -0.255 0.000 2.202 544 F HA -0.187 4.341 4.527 0.001 0.000 0.301 544 F C 2.533 178.176 175.800 -0.261 0.000 1.082 544 F CA 2.056 59.856 58.000 -0.333 0.000 1.313 544 F CB -0.485 38.162 39.000 -0.588 0.000 1.024 544 F HN 0.623 nan 8.300 nan 0.000 0.495 545 H N -2.040 116.922 119.070 -0.180 0.000 2.551 545 H HA 0.130 4.686 4.556 0.001 0.000 0.266 545 H C -0.122 175.068 175.328 -0.230 0.000 0.964 545 H CA 1.082 56.851 56.048 -0.464 0.000 1.180 545 H CB -0.126 28.998 29.762 -1.063 0.000 1.408 545 H HN 0.222 nan 8.280 nan 0.000 0.563 546 D N 0.233 120.267 120.400 -0.610 0.000 3.060 546 D HA 0.217 4.857 4.640 0.001 0.000 0.326 546 D C -2.078 173.960 176.300 -0.436 0.000 1.253 546 D CA -1.734 51.984 54.000 -0.469 0.000 0.737 546 D CB 0.847 41.359 40.800 -0.480 0.000 1.260 546 D HN 0.029 nan 8.370 nan 0.000 0.542 547 P HA -0.152 nan 4.420 nan 0.000 0.217 547 P C 1.426 178.525 177.300 -0.335 0.000 1.150 547 P CA 0.946 63.799 63.100 -0.413 0.000 0.832 547 P CB 0.444 31.704 31.700 -0.734 0.000 0.787 548 Q N 0.233 119.902 119.800 -0.217 0.000 2.135 548 Q HA -0.115 4.225 4.340 0.001 0.000 0.204 548 Q C 2.179 178.072 176.000 -0.179 0.000 0.981 548 Q CA 2.313 58.002 55.803 -0.189 0.000 0.856 548 Q CB -1.608 27.058 28.738 -0.120 0.000 0.902 548 Q HN 0.189 nan 8.270 nan 0.000 0.425 549 G N 0.365 109.077 108.800 -0.147 0.000 2.442 549 G HA2 -0.254 3.707 3.960 0.001 0.000 0.219 549 G HA3 -0.254 3.707 3.960 0.001 0.000 0.219 549 G C 1.315 176.166 174.900 -0.081 0.000 1.141 549 G CA 0.995 46.065 45.100 -0.051 0.000 0.763 549 G HN 0.416 nan 8.290 nan 0.000 0.554 550 L N 0.609 121.732 121.223 -0.168 0.000 2.072 550 L HA 0.217 4.558 4.340 0.001 0.000 0.205 550 L C 2.694 179.505 176.870 -0.100 0.000 1.079 550 L CA 1.015 55.773 54.840 -0.136 0.000 0.752 550 L CB -0.367 41.657 42.059 -0.058 0.000 0.906 550 L HN 0.245 nan 8.230 nan 0.000 0.436 551 I N -0.051 120.361 120.570 -0.263 0.000 2.145 551 I HA -0.363 3.808 4.170 0.001 0.000 0.244 551 I C 1.887 177.935 176.117 -0.115 0.000 1.075 551 I CA 1.660 62.780 61.300 -0.300 0.000 1.332 551 I CB -0.519 37.185 38.000 -0.493 0.000 1.033 551 I HN 0.316 nan 8.210 nan 0.000 0.410 552 D N 0.569 120.888 120.400 -0.135 0.000 2.149 552 D HA -0.088 4.552 4.640 0.001 0.000 0.201 552 D C 2.313 178.533 176.300 -0.133 0.000 0.972 552 D CA 0.995 54.932 54.000 -0.104 0.000 0.835 552 D CB -0.269 40.472 40.800 -0.098 0.000 0.966 552 D HN 0.293 nan 8.370 nan 0.000 0.476 553 L N -0.118 120.957 121.223 -0.247 0.000 2.131 553 L HA -0.081 4.260 4.340 0.001 0.000 0.210 553 L C 2.292 178.932 176.870 -0.382 0.000 1.092 553 L CA 0.832 55.371 54.840 -0.501 0.000 0.759 553 L CB -0.198 41.242 42.059 -1.033 0.000 0.903 553 L HN 0.026 nan 8.230 nan 0.000 0.435 554 M N -1.439 118.076 119.600 -0.141 0.000 2.558 554 M HA 0.073 4.553 4.480 0.001 0.000 0.255 554 M C 1.182 177.557 176.300 0.126 0.000 1.113 554 M CA 0.922 56.304 55.300 0.137 0.000 1.097 554 M CB 0.348 33.095 32.600 0.245 0.000 1.426 554 M HN 0.401 nan 8.290 nan 0.000 0.488 555 G N 0.401 109.237 108.800 0.060 0.000 2.143 555 G HA2 0.053 4.013 3.960 0.001 0.000 0.175 555 G HA3 0.053 4.013 3.960 0.001 0.000 0.175 555 G C 0.272 175.208 174.900 0.060 0.000 1.004 555 G CA -0.324 44.811 45.100 0.058 0.000 0.671 555 G HN 0.889 nan 8.290 nan 0.000 0.512 556 G N -0.670 108.164 108.800 0.057 0.000 2.440 556 G HA2 0.400 4.361 3.960 0.001 0.000 0.684 556 G HA3 0.400 4.361 3.960 0.001 0.000 0.684 556 G C 0.512 175.473 174.900 0.103 0.000 1.309 556 G CA 0.364 45.496 45.100 0.053 0.000 0.931 556 G HN 1.357 nan 8.290 nan 0.000 0.612 557 K N -0.357 120.092 120.400 0.083 0.000 2.288 557 K HA 0.104 4.424 4.320 0.001 0.000 0.201 557 K C 1.687 178.422 176.600 0.225 0.000 1.048 557 K CA 2.012 58.375 56.287 0.127 0.000 0.956 557 K CB 0.120 32.659 32.500 0.065 0.000 0.746 557 K HN 0.433 nan 8.250 nan 0.000 0.461 558 E N 1.165 121.471 120.200 0.177 0.000 2.072 558 E HA -0.008 4.343 4.350 0.001 0.000 0.190 558 E C 1.981 178.700 176.600 0.199 0.000 0.982 558 E CA 1.332 57.840 56.400 0.179 0.000 0.803 558 E CB -0.118 29.663 29.700 0.134 0.000 0.755 558 E HN 0.252 nan 8.360 nan 0.000 0.453 559 M N -0.376 119.339 119.600 0.192 0.000 2.213 559 M HA -0.084 4.396 4.480 0.001 0.000 0.263 559 M C 1.880 178.332 176.300 0.254 0.000 1.062 559 M CA 1.090 56.505 55.300 0.193 0.000 1.105 559 M CB -0.138 32.559 32.600 0.162 0.000 1.385 559 M HN 0.128 nan 8.290 nan 0.000 0.417 560 F N 0.454 120.487 119.950 0.138 0.000 2.084 560 F HA -0.177 4.350 4.527 0.001 0.000 0.296 560 F C 2.077 177.998 175.800 0.200 0.000 1.111 560 F CA 1.470 59.575 58.000 0.175 0.000 1.224 560 F CB -0.327 38.753 39.000 0.133 0.000 0.991 560 F HN -0.241 nan 8.300 nan 0.000 0.471 561 V N 0.373 120.501 119.914 0.357 0.000 2.282 561 V HA -0.387 3.734 4.120 0.001 0.000 0.249 561 V C 2.341 178.554 176.094 0.198 0.000 1.057 561 V CA 2.540 64.998 62.300 0.264 0.000 1.032 561 V CB -1.214 30.801 31.823 0.319 0.000 0.645 561 V HN 0.498 nan 8.190 nan 0.000 0.447 562 T N -0.545 114.125 114.554 0.194 0.000 2.653 562 T HA -0.339 4.012 4.350 0.001 0.000 0.268 562 T C 1.847 176.656 174.700 0.182 0.000 1.035 562 T CA 2.384 64.589 62.100 0.175 0.000 1.154 562 T CB -0.351 68.613 68.868 0.159 0.000 0.862 562 T HN 0.288 nan 8.240 nan 0.000 0.441 563 M N 0.397 120.110 119.600 0.188 0.000 2.117 563 M HA 0.064 4.545 4.480 0.001 0.000 0.262 563 M C 2.137 178.631 176.300 0.324 0.000 1.065 563 M CA 1.514 56.988 55.300 0.290 0.000 1.114 563 M CB -0.454 32.292 32.600 0.243 0.000 1.361 563 M HN 0.210 nan 8.290 nan 0.000 0.408 564 M N -0.620 118.998 119.600 0.029 0.000 2.065 564 M HA -0.249 4.231 4.480 0.001 0.000 0.259 564 M C 1.671 177.951 176.300 -0.034 0.000 1.071 564 M CA 1.719 56.819 55.300 -0.334 0.000 1.109 564 M CB -1.102 31.057 32.600 -0.734 0.000 1.313 564 M HN 0.168 nan 8.290 nan 0.000 0.408 565 D N 0.635 121.148 120.400 0.188 0.000 2.190 565 D HA -0.128 4.512 4.640 0.001 0.000 0.200 565 D C 2.103 178.513 176.300 0.183 0.000 0.992 565 D CA 1.922 56.102 54.000 0.300 0.000 0.854 565 D CB -0.230 40.730 40.800 0.266 0.000 0.936 565 D HN 0.429 nan 8.370 nan 0.000 0.462 566 S N -0.339 115.413 115.700 0.087 0.000 2.461 566 S HA -0.053 4.417 4.470 0.001 0.000 0.228 566 S C 2.183 176.617 174.600 -0.277 0.000 1.005 566 S CA 0.351 58.522 58.200 -0.048 0.000 0.942 566 S CB -0.290 62.895 63.200 -0.026 0.000 0.776 566 S HN 0.055 nan 8.310 nan 0.000 0.514 567 V N 1.213 120.956 119.914 -0.286 0.000 2.282 567 V HA -0.190 3.930 4.120 0.001 0.000 0.249 567 V C 2.152 177.931 176.094 -0.525 0.000 1.057 567 V CA 2.154 64.170 62.300 -0.474 0.000 1.032 567 V CB -1.092 30.443 31.823 -0.479 0.000 0.645 567 V HN 0.563 nan 8.190 nan 0.000 0.447 568 F N 0.154 119.929 119.950 -0.292 0.000 2.502 568 F HA 0.110 4.638 4.527 0.001 0.000 0.298 568 F C 2.122 177.848 175.800 -0.123 0.000 1.111 568 F CA 0.978 58.792 58.000 -0.310 0.000 1.445 568 F CB -0.533 38.083 39.000 -0.640 0.000 1.081 568 F HN 0.124 nan 8.300 nan 0.000 0.558 569 A N -0.223 122.611 122.820 0.022 0.000 2.140 569 A HA 0.264 4.585 4.320 0.001 0.000 0.209 569 A C 0.758 178.312 177.584 -0.049 0.000 1.181 569 A CA 0.376 52.433 52.037 0.033 0.000 0.824 569 A CB -0.593 18.437 19.000 0.049 0.000 0.879 569 A HN 0.030 nan 8.150 nan 0.000 0.480 570 V N -1.733 118.082 119.914 -0.166 0.000 2.546 570 V HA 0.507 4.628 4.120 0.001 0.000 0.284 570 V C -2.954 173.064 176.094 -0.128 0.000 1.050 570 V CA -2.686 59.497 62.300 -0.195 0.000 0.981 570 V CB 0.610 32.204 31.823 -0.381 0.000 0.990 570 V HN 0.093 nan 8.190 nan 0.000 0.474 571 P HA 0.143 nan 4.420 nan 0.000 0.266 571 P C -2.389 174.907 177.300 -0.006 0.000 1.193 571 P CA -0.879 62.207 63.100 -0.024 0.000 0.770 571 P CB -0.226 31.461 31.700 -0.020 0.000 0.836 572 P HA 0.092 nan 4.420 nan 0.000 0.228 572 P C -0.097 177.320 177.300 0.196 0.000 1.748 572 P CA -0.063 63.113 63.100 0.127 0.000 0.909 572 P CB -0.692 31.090 31.700 0.137 0.000 1.882 573 I N 0.327 120.959 120.570 0.103 0.000 2.581 573 I HA 0.572 4.742 4.170 0.001 0.000 0.288 573 I C -0.614 175.606 176.117 0.171 0.000 1.047 573 I CA -0.578 60.742 61.300 0.035 0.000 1.374 573 I CB 0.215 38.172 38.000 -0.070 0.000 1.423 573 I HN -0.031 nan 8.210 nan 0.000 0.549 574 F N 3.231 123.227 119.950 0.078 0.000 2.645 574 F HA 0.626 5.154 4.527 0.001 0.000 0.310 574 F C -1.464 174.400 175.800 0.106 0.000 1.102 574 F CA -1.160 56.927 58.000 0.145 0.000 0.952 574 F CB 0.956 39.960 39.000 0.007 0.000 1.326 574 F HN 0.528 nan 8.300 nan 0.000 0.456 575 D N 1.442 122.080 120.400 0.397 0.000 2.344 575 D HA 0.246 4.886 4.640 0.001 0.000 0.239 575 D C -0.563 176.007 176.300 0.450 0.000 1.064 575 D CA -0.379 53.801 54.000 0.301 0.000 0.829 575 D CB 1.607 42.532 40.800 0.208 0.000 1.129 575 D HN 0.743 nan 8.370 nan 0.000 0.506 576 D N 0.911 121.555 120.400 0.406 0.000 2.440 576 D HA -0.036 4.604 4.640 0.001 0.000 0.216 576 D C 1.150 177.645 176.300 0.325 0.000 1.150 576 D CA -0.081 54.153 54.000 0.389 0.000 0.832 576 D CB -0.037 40.944 40.800 0.302 0.000 0.992 576 D HN 0.191 nan 8.370 nan 0.000 0.502 577 S N -0.386 115.465 115.700 0.253 0.000 2.400 577 S HA -0.297 4.174 4.470 0.001 0.000 0.232 577 S C 1.902 176.599 174.600 0.162 0.000 1.025 577 S CA 0.680 58.987 58.200 0.179 0.000 0.993 577 S CB -1.036 62.250 63.200 0.143 0.000 0.808 577 S HN 0.401 nan 8.310 nan 0.000 0.478 578 Y N 1.721 122.038 120.300 0.028 0.000 2.207 578 Y HA -0.163 4.387 4.550 0.001 0.000 0.287 578 Y C 1.826 177.589 175.900 -0.228 0.000 1.156 578 Y CA 1.335 59.351 58.100 -0.139 0.000 1.182 578 Y CB -0.461 37.844 38.460 -0.259 0.000 0.979 578 Y HN 0.271 nan 8.280 nan 0.000 0.521 579 Y N -1.118 119.224 120.300 0.070 0.000 2.397 579 Y HA 0.229 4.780 4.550 0.001 0.000 0.292 579 Y C 2.261 178.143 175.900 -0.031 0.000 1.115 579 Y CA 0.747 58.822 58.100 -0.042 0.000 1.208 579 Y CB -0.266 38.210 38.460 0.027 0.000 1.046 579 Y HN 0.150 nan 8.280 nan 0.000 0.552 580 G N 0.201 109.094 108.800 0.155 0.000 2.176 580 G HA2 -0.224 3.737 3.960 0.001 0.000 0.253 580 G HA3 -0.224 3.737 3.960 0.001 0.000 0.253 580 G C -0.030 174.938 174.900 0.113 0.000 0.979 580 G CA 0.302 45.464 45.100 0.103 0.000 0.641 580 G HN 0.505 nan 8.290 nan 0.000 0.530 581 Q N -1.792 118.088 119.800 0.133 0.000 2.647 581 Q HA 0.570 4.911 4.340 0.001 0.000 0.283 581 Q C -0.760 175.249 176.000 0.015 0.000 0.943 581 Q CA -1.005 54.851 55.803 0.088 0.000 0.813 581 Q CB 1.379 30.175 28.738 0.096 0.000 1.477 581 Q HN 0.488 nan 8.270 nan 0.000 0.393 582 V N 3.026 122.919 119.914 -0.035 0.000 2.302 582 V HA 0.126 4.247 4.120 0.001 0.000 0.244 582 V C 0.676 176.595 176.094 -0.291 0.000 1.160 582 V CA -0.154 62.016 62.300 -0.217 0.000 1.127 582 V CB -1.783 29.937 31.823 -0.172 0.000 1.253 582 V HN 0.638 nan 8.190 nan 0.000 0.496 583 I N 0.793 121.119 120.570 -0.407 0.000 2.948 583 I HA 0.124 4.294 4.170 0.001 0.000 0.290 583 I C 1.811 177.622 176.117 -0.509 0.000 1.226 583 I CA 0.056 61.069 61.300 -0.478 0.000 1.413 583 I CB 0.083 37.672 38.000 -0.685 0.000 1.352 583 I HN 0.709 nan 8.210 nan 0.000 0.597 584 H N 1.513 120.316 119.070 -0.446 0.000 2.426 584 H HA -0.149 4.408 4.556 0.001 0.000 0.298 584 H C 1.462 176.611 175.328 -0.298 0.000 1.107 584 H CA 1.871 57.726 56.048 -0.321 0.000 1.298 584 H CB -0.433 29.198 29.762 -0.219 0.000 1.377 584 H HN 0.768 nan 8.280 nan 0.000 0.519 585 E N 0.782 120.452 120.200 -0.884 0.000 2.118 585 E HA -0.088 4.263 4.350 0.001 0.000 0.195 585 E C 2.145 178.443 176.600 -0.503 0.000 0.992 585 E CA 1.550 57.622 56.400 -0.548 0.000 0.804 585 E CB -0.118 29.336 29.700 -0.410 0.000 0.741 585 E HN 0.621 nan 8.360 nan 0.000 0.458 586 I N 0.095 120.139 120.570 -0.876 0.000 2.133 586 I HA -0.243 3.928 4.170 0.001 0.000 0.238 586 I C 2.447 178.171 176.117 -0.655 0.000 1.074 586 I CA 0.863 61.465 61.300 -1.164 0.000 1.342 586 I CB -0.170 36.862 38.000 -1.615 0.000 1.053 586 I HN 0.006 nan 8.210 nan 0.000 0.404 587 R N 1.474 121.666 120.500 -0.515 0.000 2.113 587 R HA -0.238 4.102 4.340 0.001 0.000 0.244 587 R C 2.027 178.231 176.300 -0.159 0.000 1.142 587 R CA 1.896 57.829 56.100 -0.277 0.000 0.953 587 R CB -0.477 29.711 30.300 -0.187 0.000 0.860 587 R HN 0.378 nan 8.270 nan 0.000 0.438 588 E N -0.654 119.461 120.200 -0.141 0.000 2.118 588 E HA -0.229 4.122 4.350 0.001 0.000 0.195 588 E C 1.941 178.509 176.600 -0.053 0.000 0.992 588 E CA 1.581 57.942 56.400 -0.066 0.000 0.804 588 E CB -0.189 29.487 29.700 -0.040 0.000 0.741 588 E HN 0.390 nan 8.360 nan 0.000 0.458 589 M N 0.674 120.230 119.600 -0.073 0.000 2.099 589 M HA -0.164 4.316 4.480 0.001 0.000 0.262 589 M C 2.469 178.779 176.300 0.017 0.000 1.067 589 M CA 2.030 57.327 55.300 -0.004 0.000 1.124 589 M CB -0.327 32.325 32.600 0.087 0.000 1.353 589 M HN 0.208 nan 8.290 nan 0.000 0.410 590 T N -1.226 113.319 114.554 -0.014 0.000 2.759 590 T HA -0.114 4.236 4.350 0.001 0.000 0.269 590 T C 1.470 176.193 174.700 0.038 0.000 1.042 590 T CA 1.689 63.811 62.100 0.036 0.000 1.140 590 T CB -1.469 67.428 68.868 0.048 0.000 0.864 590 T HN 0.456 nan 8.240 nan 0.000 0.455 591 V N -1.446 118.478 119.914 0.017 0.000 3.461 591 V HA 0.294 4.415 4.120 0.001 0.000 0.267 591 V C 2.374 178.489 176.094 0.035 0.000 1.186 591 V CA 0.816 63.131 62.300 0.025 0.000 1.154 591 V CB -1.098 30.733 31.823 0.013 0.000 0.802 591 V HN 0.396 nan 8.190 nan 0.000 0.474 592 M N 0.453 120.079 119.600 0.043 0.000 2.349 592 M HA 0.173 4.654 4.480 0.001 0.000 0.266 592 M C 1.153 177.502 176.300 0.083 0.000 1.076 592 M CA 1.023 56.359 55.300 0.060 0.000 1.126 592 M CB -0.246 32.396 32.600 0.069 0.000 1.392 592 M HN 0.582 nan 8.290 nan 0.000 0.440 593 N N 0.867 119.619 118.700 0.087 0.000 2.771 593 N HA -0.168 4.572 4.740 0.001 0.000 0.249 593 N C -0.730 174.869 175.510 0.148 0.000 1.069 593 N CA 0.712 53.822 53.050 0.101 0.000 0.688 593 N CB -0.942 37.597 38.487 0.087 0.000 0.928 593 N HN 0.435 nan 8.380 nan 0.000 0.551 594 M N -0.440 119.253 119.600 0.156 0.000 3.470 594 M HA 0.286 4.766 4.480 0.001 0.000 0.454 594 M C 1.245 177.625 176.300 0.133 0.000 1.631 594 M CA 0.120 55.549 55.300 0.215 0.000 0.732 594 M CB 0.613 33.385 32.600 0.288 0.000 1.454 594 M HN 0.387 nan 8.290 nan 0.000 0.521 595 G N 1.969 110.819 108.800 0.084 0.000 2.611 595 G HA2 -0.315 3.645 3.960 0.001 0.000 0.301 595 G HA3 -0.315 3.645 3.960 0.001 0.000 0.301 595 G C 0.293 175.190 174.900 -0.005 0.000 1.233 595 G CA 0.395 45.496 45.100 0.003 0.000 0.993 595 G HN 0.603 nan 8.290 nan 0.000 0.553 596 N N 0.301 118.942 118.700 -0.098 0.000 2.313 596 N HA 0.090 4.831 4.740 0.001 0.000 0.207 596 N C -0.132 175.405 175.510 0.045 0.000 1.141 596 N CA 0.009 53.057 53.050 -0.002 0.000 0.830 596 N CB 0.229 38.621 38.487 -0.157 0.000 1.008 596 N HN 0.424 nan 8.380 nan 0.000 0.481 597 Y N 2.014 122.175 120.300 -0.232 0.000 2.616 597 Y HA 0.250 4.801 4.550 0.001 0.000 0.350 597 Y C 0.152 175.989 175.900 -0.105 0.000 1.119 597 Y CA -1.030 56.889 58.100 -0.302 0.000 1.467 597 Y CB -0.078 38.042 38.460 -0.567 0.000 1.287 597 Y HN -0.029 nan 8.280 nan 0.000 0.504 598 A N 5.113 127.636 122.820 -0.494 0.000 3.078 598 A HA 0.117 4.438 4.320 0.001 0.000 0.279 598 A C 1.031 178.257 177.584 -0.596 0.000 1.594 598 A CA -0.311 51.466 52.037 -0.434 0.000 1.301 598 A CB -1.008 17.722 19.000 -0.451 0.000 1.162 598 A HN 1.014 nan 8.150 nan 0.000 0.585 599 H N 1.540 120.152 119.070 -0.764 0.000 2.489 599 H HA -0.063 4.493 4.556 0.001 0.000 0.293 599 H C 1.926 177.023 175.328 -0.386 0.000 1.066 599 H CA 1.949 57.589 56.048 -0.680 0.000 1.305 599 H CB 0.225 29.712 29.762 -0.459 0.000 1.386 599 H HN 0.538 nan 8.280 nan 0.000 0.551 600 G N -0.854 107.773 108.800 -0.289 0.000 2.776 600 G HA2 -0.127 3.834 3.960 0.001 0.000 0.209 600 G HA3 -0.127 3.834 3.960 0.001 0.000 0.209 600 G C 0.197 174.985 174.900 -0.185 0.000 1.145 600 G CA 0.139 45.117 45.100 -0.204 0.000 0.791 600 G HN 0.335 nan 8.290 nan 0.000 0.530 601 N N -1.911 116.640 118.700 -0.247 0.000 2.455 601 N HA 0.342 5.082 4.740 0.001 0.000 0.278 601 N C 0.827 176.206 175.510 -0.218 0.000 1.291 601 N CA -0.667 52.299 53.050 -0.141 0.000 0.780 601 N CB 1.622 40.082 38.487 -0.045 0.000 1.520 601 N HN -0.204 nan 8.380 nan 0.000 0.486 602 Q N 0.335 120.054 119.800 -0.134 0.000 2.083 602 Q HA 0.135 4.475 4.340 0.001 0.000 0.198 602 Q C -1.203 174.620 176.000 -0.295 0.000 0.969 602 Q CA 1.735 57.364 55.803 -0.290 0.000 0.838 602 Q CB -0.905 27.515 28.738 -0.530 0.000 0.900 602 Q HN 0.586 nan 8.270 nan 0.000 0.436 603 P HA -0.175 nan 4.420 nan 0.000 0.216 603 P C 0.880 178.104 177.300 -0.126 0.000 1.154 603 P CA 1.186 64.098 63.100 -0.314 0.000 0.865 603 P CB 0.064 31.440 31.700 -0.540 0.000 0.789 604 I N -1.333 119.120 120.570 -0.195 0.000 3.793 604 I HA -0.037 4.133 4.170 0.001 0.000 0.315 604 I C 1.856 177.917 176.117 -0.093 0.000 1.275 604 I CA 0.391 61.594 61.300 -0.162 0.000 1.214 604 I CB -0.227 37.605 38.000 -0.281 0.000 1.018 604 I HN -0.107 nan 8.210 nan 0.000 0.439 605 Q N 0.010 119.796 119.800 -0.023 0.000 2.226 605 Q HA -0.236 4.104 4.340 0.001 0.000 0.204 605 Q C 1.733 177.977 176.000 0.407 0.000 0.975 605 Q CA 1.540 57.397 55.803 0.090 0.000 0.866 605 Q CB -0.183 28.543 28.738 -0.019 0.000 0.915 605 Q HN 0.720 nan 8.270 nan 0.000 0.440 606 H N -0.781 118.469 119.070 0.300 0.000 2.544 606 H HA 0.091 4.647 4.556 0.001 0.000 0.269 606 H C 1.825 177.338 175.328 0.308 0.000 0.970 606 H CA 0.336 56.592 56.048 0.345 0.000 1.219 606 H CB -0.323 29.706 29.762 0.445 0.000 1.421 606 H HN 0.178 nan 8.280 nan 0.000 0.555 607 M N 1.313 120.612 119.600 -0.502 0.000 2.106 607 M HA -0.167 4.313 4.480 0.001 0.000 0.259 607 M C 1.909 178.014 176.300 -0.324 0.000 1.068 607 M CA 1.528 56.461 55.300 -0.612 0.000 1.100 607 M CB -0.298 31.913 32.600 -0.648 0.000 1.351 607 M HN 0.264 nan 8.290 nan 0.000 0.404 608 I N -0.618 119.894 120.570 -0.098 0.000 2.286 608 I HA -0.333 3.837 4.170 0.001 0.000 0.248 608 I C 1.906 178.031 176.117 0.014 0.000 1.115 608 I CA 1.420 62.676 61.300 -0.073 0.000 1.392 608 I CB -0.633 37.351 38.000 -0.027 0.000 1.065 608 I HN 0.260 nan 8.210 nan 0.000 0.418 609 Y N -0.131 120.246 120.300 0.128 0.000 2.384 609 Y HA -0.214 4.337 4.550 0.001 0.000 0.289 609 Y C 2.132 178.217 175.900 0.307 0.000 1.152 609 Y CA 0.552 58.794 58.100 0.235 0.000 1.258 609 Y CB -0.289 38.338 38.460 0.279 0.000 0.979 609 Y HN 0.117 nan 8.280 nan 0.000 0.549 610 L N -1.458 119.924 121.223 0.265 0.000 2.450 610 L HA -0.214 4.127 4.340 0.001 0.000 0.224 610 L C 1.611 178.676 176.870 0.326 0.000 1.149 610 L CA 1.229 56.215 54.840 0.243 0.000 0.816 610 L CB -1.303 40.779 42.059 0.039 0.000 0.932 610 L HN 0.255 nan 8.230 nan 0.000 0.449 611 Y N -0.069 120.364 120.300 0.221 0.000 2.224 611 Y HA -0.225 4.325 4.550 0.001 0.000 0.289 611 Y C 2.310 178.278 175.900 0.115 0.000 1.146 611 Y CA 1.167 59.346 58.100 0.130 0.000 1.182 611 Y CB -0.503 37.953 38.460 -0.006 0.000 0.983 611 Y HN 0.249 nan 8.280 nan 0.000 0.524 612 D N -1.255 119.346 120.400 0.335 0.000 2.158 612 D HA -0.220 4.421 4.640 0.001 0.000 0.197 612 D C 1.772 178.148 176.300 0.126 0.000 0.995 612 D CA 1.569 55.686 54.000 0.195 0.000 0.846 612 D CB -0.525 40.391 40.800 0.194 0.000 0.941 612 D HN 0.366 nan 8.370 nan 0.000 0.456 613 Y N 0.156 120.517 120.300 0.101 0.000 2.439 613 Y HA 0.134 4.685 4.550 0.001 0.000 0.292 613 Y C 2.149 178.014 175.900 -0.059 0.000 1.130 613 Y CA 0.754 58.858 58.100 0.007 0.000 1.254 613 Y CB -0.137 38.294 38.460 -0.048 0.000 1.000 613 Y HN -0.066 nan 8.280 nan 0.000 0.554 614 A N -0.605 122.305 122.820 0.150 0.000 2.307 614 A HA 0.460 4.780 4.320 0.001 0.000 0.218 614 A C 1.864 179.495 177.584 0.077 0.000 1.228 614 A CA 0.582 52.674 52.037 0.091 0.000 0.857 614 A CB -0.965 18.188 19.000 0.256 0.000 0.897 614 A HN 0.513 nan 8.150 nan 0.000 0.495 615 G N -0.704 108.126 108.800 0.050 0.000 2.160 615 G HA2 -0.252 3.708 3.960 0.001 0.000 0.251 615 G HA3 -0.252 3.708 3.960 0.001 0.000 0.251 615 G C 0.001 174.818 174.900 -0.138 0.000 1.008 615 G CA 0.425 45.535 45.100 0.017 0.000 0.724 615 G HN 0.616 nan 8.290 nan 0.000 0.514 616 Q N -0.521 119.067 119.800 -0.353 0.000 2.831 616 Q HA 0.207 4.547 4.340 0.001 0.000 0.366 616 Q C -1.608 173.828 176.000 -0.939 0.000 0.899 616 Q CA -1.558 53.505 55.803 -1.232 0.000 0.987 616 Q CB 1.754 29.836 28.738 -1.093 0.000 1.382 616 Q HN 0.345 nan 8.270 nan 0.000 0.403 617 P HA -0.179 nan 4.420 nan 0.000 0.222 617 P C 0.830 178.131 177.300 0.001 0.000 1.147 617 P CA 0.972 64.032 63.100 -0.066 0.000 0.790 617 P CB -0.098 31.668 31.700 0.110 0.000 0.780 618 W N 1.446 122.814 121.300 0.112 0.000 2.374 618 W HA 0.019 4.680 4.660 0.001 0.000 0.288 618 W C 1.742 178.363 176.519 0.170 0.000 1.218 618 W CA 0.900 58.360 57.345 0.191 0.000 1.245 618 W CB -1.550 27.959 29.460 0.082 0.000 1.126 618 W HN -0.162 nan 8.180 nan 0.000 0.545 619 K N 0.493 120.649 120.400 -0.407 0.000 2.217 619 K HA 0.031 4.351 4.320 0.001 0.000 0.202 619 K C 2.372 178.791 176.600 -0.302 0.000 1.051 619 K CA 1.139 57.148 56.287 -0.463 0.000 0.952 619 K CB -0.262 31.586 32.500 -1.087 0.000 0.736 619 K HN 0.283 nan 8.250 nan 0.000 0.453 620 A N 1.236 123.964 122.820 -0.153 0.000 1.898 620 A HA -0.149 4.171 4.320 0.001 0.000 0.214 620 A C 1.970 179.545 177.584 -0.016 0.000 1.183 620 A CA 0.872 52.927 52.037 0.031 0.000 0.622 620 A CB -0.270 18.770 19.000 0.066 0.000 0.824 620 A HN 0.233 nan 8.150 nan 0.000 0.444 621 Q N -1.684 118.144 119.800 0.046 0.000 2.096 621 Q HA -0.233 4.107 4.340 0.001 0.000 0.204 621 Q C 1.963 177.930 176.000 -0.055 0.000 0.982 621 Q CA 1.989 57.821 55.803 0.048 0.000 0.850 621 Q CB -0.441 28.410 28.738 0.189 0.000 0.901 621 Q HN 0.825 nan 8.270 nan 0.000 0.422 622 Y N -0.487 119.715 120.300 -0.163 0.000 2.114 622 Y HA -0.262 4.288 4.550 0.001 0.000 0.284 622 Y C 1.588 177.121 175.900 -0.611 0.000 1.143 622 Y CA 1.658 59.497 58.100 -0.436 0.000 1.135 622 Y CB -0.392 37.830 38.460 -0.396 0.000 0.980 622 Y HN 0.120 nan 8.280 nan 0.000 0.499 623 W N -0.738 120.361 121.300 -0.336 0.000 2.418 623 W HA -0.150 4.511 4.660 0.001 0.000 0.292 623 W C 2.089 178.362 176.519 -0.411 0.000 1.213 623 W CA 0.181 57.234 57.345 -0.487 0.000 1.283 623 W CB -0.403 28.752 29.460 -0.509 0.000 1.119 623 W HN 0.088 nan 8.180 nan 0.000 0.542 624 L N 0.496 121.662 121.223 -0.095 0.000 2.012 624 L HA -0.215 4.125 4.340 0.001 0.000 0.210 624 L C 2.483 179.268 176.870 -0.141 0.000 1.073 624 L CA 1.779 56.572 54.840 -0.079 0.000 0.748 624 L CB -1.612 40.340 42.059 -0.179 0.000 0.891 624 L HN -0.051 nan 8.230 nan 0.000 0.431 625 R N -0.560 119.731 120.500 -0.348 0.000 2.096 625 R HA -0.135 4.205 4.340 0.001 0.000 0.235 625 R C 2.205 178.234 176.300 -0.452 0.000 1.127 625 R CA 1.208 57.033 56.100 -0.459 0.000 0.968 625 R CB -0.338 29.513 30.300 -0.748 0.000 0.861 625 R HN 0.372 nan 8.270 nan 0.000 0.440 626 Q N -0.168 119.293 119.800 -0.565 0.000 2.061 626 Q HA -0.123 4.217 4.340 0.001 0.000 0.204 626 Q C 2.157 178.078 176.000 -0.132 0.000 0.984 626 Q CA 1.905 57.466 55.803 -0.404 0.000 0.846 626 Q CB -0.495 27.989 28.738 -0.424 0.000 0.902 626 Q HN 0.283 nan 8.270 nan 0.000 0.421 627 V N 0.957 120.845 119.914 -0.043 0.000 2.295 627 V HA -0.264 3.857 4.120 0.001 0.000 0.246 627 V C 2.405 178.592 176.094 0.155 0.000 1.049 627 V CA 1.738 64.052 62.300 0.024 0.000 1.024 627 V CB -0.541 31.235 31.823 -0.078 0.000 0.648 627 V HN 0.326 nan 8.190 nan 0.000 0.447 628 M N -0.433 119.267 119.600 0.165 0.000 2.159 628 M HA -0.175 4.306 4.480 0.001 0.000 0.263 628 M C 1.939 178.358 176.300 0.198 0.000 1.063 628 M CA 1.758 57.202 55.300 0.240 0.000 1.110 628 M CB -0.520 32.082 32.600 0.003 0.000 1.374 628 M HN 0.312 nan 8.290 nan 0.000 0.411 629 D N -0.110 120.304 120.400 0.023 0.000 2.144 629 D HA -0.079 4.561 4.640 0.001 0.000 0.200 629 D C 1.977 178.293 176.300 0.027 0.000 0.978 629 D CA 1.230 55.220 54.000 -0.017 0.000 0.833 629 D CB 0.025 40.750 40.800 -0.125 0.000 0.961 629 D HN 0.337 nan 8.370 nan 0.000 0.470 630 R N -1.071 119.451 120.500 0.038 0.000 2.221 630 R HA 0.253 4.593 4.340 0.001 0.000 0.195 630 R C 1.577 177.910 176.300 0.055 0.000 0.956 630 R CA 0.072 56.190 56.100 0.031 0.000 1.064 630 R CB 0.341 30.646 30.300 0.008 0.000 1.049 630 R HN 0.038 nan 8.270 nan 0.000 0.534 631 M N -0.092 119.571 119.600 0.105 0.000 2.495 631 M HA 0.189 4.670 4.480 0.001 0.000 0.237 631 M C -0.669 175.593 176.300 -0.064 0.000 1.131 631 M CA 0.591 55.912 55.300 0.035 0.000 1.032 631 M CB 0.255 32.855 32.600 0.000 0.000 1.513 631 M HN -0.062 nan 8.290 nan 0.000 0.488 632 Y N 0.047 120.346 120.300 -0.002 0.000 2.373 632 Y HA 0.456 5.007 4.550 0.001 0.000 0.336 632 Y C 0.459 176.274 175.900 -0.142 0.000 0.979 632 Y CA -1.340 56.690 58.100 -0.117 0.000 1.080 632 Y CB 1.492 39.813 38.460 -0.231 0.000 1.190 632 Y HN 0.003 nan 8.280 nan 0.000 0.446 633 T N -0.484 114.028 114.554 -0.070 0.000 2.901 633 T HA 0.458 4.809 4.350 0.001 0.000 0.293 633 T C -2.627 171.999 174.700 -0.124 0.000 1.084 633 T CA -2.408 59.651 62.100 -0.069 0.000 1.008 633 T CB 2.614 71.448 68.868 -0.057 0.000 1.170 633 T HN 0.303 nan 8.240 nan 0.000 0.509 634 P HA 0.233 nan 4.420 nan 0.000 0.255 634 P C 0.778 178.036 177.300 -0.071 0.000 1.248 634 P CA -0.002 63.059 63.100 -0.065 0.000 0.807 634 P CB -0.167 31.538 31.700 0.009 0.000 1.150 635 G N 1.581 110.324 108.800 -0.094 0.000 2.543 635 G HA2 0.283 4.243 3.960 0.001 0.000 0.290 635 G HA3 0.283 4.243 3.960 0.001 0.000 0.290 635 G C -1.676 173.127 174.900 -0.161 0.000 1.310 635 G CA -1.388 43.640 45.100 -0.119 0.000 1.025 635 G HN -0.151 nan 8.290 nan 0.000 0.502 636 P HA -0.061 nan 4.420 nan 0.000 0.217 636 P C 0.546 177.754 177.300 -0.153 0.000 1.148 636 P CA 1.392 64.297 63.100 -0.326 0.000 0.828 636 P CB 0.130 31.277 31.700 -0.920 0.000 0.783 637 D N -1.668 118.650 120.400 -0.136 0.000 2.894 637 D HA 0.142 4.782 4.640 0.001 0.000 0.248 637 D C 1.516 177.782 176.300 -0.057 0.000 1.291 637 D CA -0.487 53.484 54.000 -0.048 0.000 0.840 637 D CB -1.088 39.690 40.800 -0.037 0.000 1.044 637 D HN 0.031 nan 8.370 nan 0.000 0.484 638 G N -0.505 108.228 108.800 -0.110 0.000 2.443 638 G HA2 -0.124 3.837 3.960 0.001 0.000 0.219 638 G HA3 -0.124 3.837 3.960 0.001 0.000 0.219 638 G C 0.154 174.857 174.900 -0.329 0.000 1.131 638 G CA 0.388 45.343 45.100 -0.242 0.000 0.775 638 G HN 0.301 nan 8.290 nan 0.000 0.547 639 Y N -1.324 118.917 120.300 -0.099 0.000 2.432 639 Y HA 0.333 4.883 4.550 0.001 0.000 0.322 639 Y C 1.609 177.405 175.900 -0.174 0.000 1.246 639 Y CA -0.951 57.027 58.100 -0.204 0.000 1.268 639 Y CB 1.215 39.593 38.460 -0.137 0.000 1.276 639 Y HN 0.061 nan 8.280 nan 0.000 0.499 640 C N -1.587 117.680 119.300 -0.055 0.000 2.791 640 C HA 0.789 5.249 4.460 0.001 0.000 0.270 640 C C 0.738 175.726 174.990 -0.003 0.000 1.257 640 C CA 0.157 59.153 59.018 -0.036 0.000 1.699 640 C CB -1.452 26.252 27.740 -0.060 0.000 1.904 640 C HN 0.951 nan 8.230 nan 0.000 0.603 641 G N -0.397 108.414 108.800 0.019 0.000 2.427 641 G HA2 0.420 4.381 3.960 0.001 0.000 0.306 641 G HA3 0.420 4.381 3.960 0.001 0.000 0.306 641 G C -2.236 172.677 174.900 0.022 0.000 1.280 641 G CA -0.547 44.577 45.100 0.040 0.000 0.837 641 G HN 0.068 nan 8.290 nan 0.000 0.482 642 D N 0.623 121.066 120.400 0.072 0.000 2.458 642 D HA 0.191 4.832 4.640 0.001 0.000 0.243 642 D C 1.272 177.500 176.300 -0.120 0.000 1.146 642 D CA -0.173 53.853 54.000 0.042 0.000 0.877 642 D CB 1.744 42.663 40.800 0.198 0.000 1.176 642 D HN 0.411 nan 8.370 nan 0.000 0.461 643 E N 1.561 121.588 120.200 -0.289 0.000 2.072 643 E HA -0.181 4.169 4.350 0.001 0.000 0.191 643 E C -0.373 176.130 176.600 -0.161 0.000 0.985 643 E CA 0.727 56.852 56.400 -0.458 0.000 0.801 643 E CB 0.126 29.427 29.700 -0.664 0.000 0.750 643 E HN 0.424 nan 8.360 nan 0.000 0.452 644 D N 0.347 120.706 120.400 -0.068 0.000 2.760 644 D HA -0.213 4.427 4.640 0.001 0.000 0.244 644 D C -0.682 175.615 176.300 -0.004 0.000 1.123 644 D CA 1.027 55.050 54.000 0.037 0.000 0.719 644 D CB -1.976 38.902 40.800 0.131 0.000 1.045 644 D HN 0.436 nan 8.370 nan 0.000 0.426 645 N N -1.437 117.185 118.700 -0.131 0.000 2.747 645 N HA -0.209 4.531 4.740 0.001 0.000 0.249 645 N C 1.101 176.664 175.510 0.088 0.000 1.107 645 N CA 1.672 54.616 53.050 -0.177 0.000 0.707 645 N CB -1.108 37.199 38.487 -0.299 0.000 1.054 645 N HN 0.748 nan 8.380 nan 0.000 0.555 646 G N -1.247 107.601 108.800 0.079 0.000 2.307 646 G HA2 -0.367 3.594 3.960 0.001 0.000 0.210 646 G HA3 -0.367 3.594 3.960 0.001 0.000 0.210 646 G C 0.681 175.668 174.900 0.146 0.000 1.005 646 G CA 0.686 45.859 45.100 0.121 0.000 0.634 646 G HN 0.413 nan 8.290 nan 0.000 0.496 647 Q N 1.282 121.162 119.800 0.133 0.000 2.030 647 Q HA -0.010 4.331 4.340 0.001 0.000 0.204 647 Q C 2.474 178.625 176.000 0.251 0.000 0.986 647 Q CA 3.242 59.148 55.803 0.171 0.000 0.843 647 Q CB -0.955 27.848 28.738 0.108 0.000 0.904 647 Q HN 0.521 nan 8.270 nan 0.000 0.420 648 T N -0.153 114.510 114.554 0.181 0.000 2.857 648 T HA -0.030 4.321 4.350 0.001 0.000 0.266 648 T C 1.964 176.990 174.700 0.543 0.000 1.048 648 T CA 1.133 63.394 62.100 0.268 0.000 1.139 648 T CB -0.272 68.618 68.868 0.036 0.000 0.874 648 T HN 0.244 nan 8.240 nan 0.000 0.455 649 S N 1.697 117.645 115.700 0.414 0.000 2.356 649 S HA -0.016 4.455 4.470 0.001 0.000 0.223 649 S C 2.590 177.424 174.600 0.390 0.000 1.032 649 S CA 0.979 59.461 58.200 0.469 0.000 1.005 649 S CB -0.544 62.836 63.200 0.300 0.000 0.867 649 S HN 0.588 nan 8.310 nan 0.000 0.449 650 A N 0.113 123.127 122.820 0.323 0.000 2.015 650 A HA -0.114 4.207 4.320 0.001 0.000 0.219 650 A C 1.755 179.614 177.584 0.459 0.000 1.163 650 A CA 1.098 53.300 52.037 0.275 0.000 0.646 650 A CB -0.978 18.165 19.000 0.239 0.000 0.806 650 A HN 0.728 nan 8.150 nan 0.000 0.448 651 W N -0.885 120.672 121.300 0.429 0.000 2.342 651 W HA -0.258 4.403 4.660 0.001 0.000 0.297 651 W C 1.920 178.688 176.519 0.415 0.000 1.213 651 W CA 2.028 59.700 57.345 0.544 0.000 1.251 651 W CB -0.250 29.519 29.460 0.515 0.000 1.136 651 W HN 0.483 nan 8.180 nan 0.000 0.526 652 Y N -0.365 120.217 120.300 0.470 0.000 2.314 652 Y HA -0.091 4.460 4.550 0.001 0.000 0.294 652 Y C 2.186 178.109 175.900 0.039 0.000 1.119 652 Y CA 1.882 60.057 58.100 0.125 0.000 1.179 652 Y CB -0.716 37.559 38.460 -0.308 0.000 1.025 652 Y HN -0.192 nan 8.280 nan 0.000 0.541 653 V N -0.005 119.988 119.914 0.131 0.000 2.233 653 V HA -0.327 3.793 4.120 0.001 0.000 0.247 653 V C 2.113 178.184 176.094 -0.039 0.000 1.050 653 V CA 2.223 64.457 62.300 -0.110 0.000 1.010 653 V CB -0.975 30.650 31.823 -0.330 0.000 0.637 653 V HN 0.312 nan 8.190 nan 0.000 0.444 654 F N 1.105 121.014 119.950 -0.070 0.000 2.026 654 F HA -0.196 4.331 4.527 0.001 0.000 0.296 654 F C 2.816 178.421 175.800 -0.325 0.000 1.133 654 F CA 2.025 59.906 58.000 -0.198 0.000 1.188 654 F CB -1.106 37.858 39.000 -0.060 0.000 0.968 654 F HN 0.031 nan 8.300 nan 0.000 0.476 655 S N -0.128 115.479 115.700 -0.155 0.000 2.387 655 S HA -0.251 4.220 4.470 0.001 0.000 0.230 655 S C 2.221 176.644 174.600 -0.295 0.000 1.035 655 S CA 1.134 59.129 58.200 -0.341 0.000 1.014 655 S CB -0.829 61.848 63.200 -0.871 0.000 0.836 655 S HN 0.402 nan 8.310 nan 0.000 0.466 656 A N 0.773 123.403 122.820 -0.316 0.000 2.067 656 A HA 0.123 4.444 4.320 0.001 0.000 0.219 656 A C 1.991 179.503 177.584 -0.121 0.000 1.158 656 A CA 0.799 52.681 52.037 -0.259 0.000 0.661 656 A CB -0.457 18.435 19.000 -0.180 0.000 0.801 656 A HN 0.475 nan 8.150 nan 0.000 0.452 657 L N -2.091 119.034 121.223 -0.164 0.000 2.270 657 L HA 0.159 4.500 4.340 0.001 0.000 0.210 657 L C 1.820 178.534 176.870 -0.260 0.000 1.104 657 L CA 0.905 55.597 54.840 -0.246 0.000 0.804 657 L CB -0.078 41.712 42.059 -0.449 0.000 0.937 657 L HN 0.572 nan 8.230 nan 0.000 0.450 658 G N -0.330 108.308 108.800 -0.271 0.000 2.227 658 G HA2 -0.183 3.777 3.960 0.001 0.000 0.168 658 G HA3 -0.183 3.777 3.960 0.001 0.000 0.168 658 G C -0.062 174.947 174.900 0.182 0.000 1.006 658 G CA -0.122 44.966 45.100 -0.019 0.000 0.684 658 G HN 0.241 nan 8.290 nan 0.000 0.489 659 F N -1.761 118.303 119.950 0.190 0.000 2.713 659 F HA 0.846 5.373 4.527 0.001 0.000 0.311 659 F C -1.170 174.654 175.800 0.042 0.000 1.141 659 F CA -2.727 55.380 58.000 0.178 0.000 0.939 659 F CB 1.135 40.226 39.000 0.151 0.000 1.325 659 F HN 0.171 nan 8.300 nan 0.000 0.453 660 Y N 1.626 121.850 120.300 -0.128 0.000 2.479 660 Y HA 0.555 5.106 4.550 0.001 0.000 0.338 660 Y C -2.806 172.834 175.900 -0.433 0.000 1.055 660 Y CA -2.386 55.342 58.100 -0.620 0.000 1.023 660 Y CB 3.228 40.897 38.460 -1.318 0.000 1.287 660 Y HN 0.452 nan 8.280 nan 0.000 0.447 661 P HA 0.066 nan 4.420 nan 0.000 0.244 661 P C 0.554 177.564 177.300 -0.484 0.000 1.769 661 P CA 0.310 63.017 63.100 -0.655 0.000 1.102 661 P CB 0.582 31.894 31.700 -0.647 0.000 1.937 662 V N 0.996 120.835 119.914 -0.126 0.000 2.324 662 V HA -0.211 3.910 4.120 0.001 0.000 0.250 662 V C 1.444 177.568 176.094 0.051 0.000 1.060 662 V CA 1.779 64.170 62.300 0.151 0.000 1.042 662 V CB -0.364 31.654 31.823 0.324 0.000 0.650 662 V HN 0.514 nan 8.190 nan 0.000 0.450 663 C N 2.069 121.368 119.300 -0.001 0.000 2.492 663 C HA 0.508 4.968 4.460 0.001 0.000 0.284 663 C C -2.598 172.408 174.990 0.027 0.000 1.082 663 C CA -2.231 56.795 59.018 0.013 0.000 1.555 663 C CB -0.318 27.436 27.740 0.023 0.000 1.798 663 C HN 0.298 nan 8.230 nan 0.000 0.413 664 P HA 0.325 nan 4.420 nan 0.000 0.265 664 P C 0.858 178.279 177.300 0.201 0.000 1.193 664 P CA 1.695 64.833 63.100 0.063 0.000 0.765 664 P CB 0.595 32.361 31.700 0.109 0.000 0.823 665 G N 1.188 110.035 108.800 0.079 0.000 2.278 665 G HA2 -0.178 3.782 3.960 0.001 0.000 0.210 665 G HA3 -0.178 3.782 3.960 0.001 0.000 0.210 665 G C 0.356 175.312 174.900 0.093 0.000 1.000 665 G CA 0.237 45.394 45.100 0.095 0.000 0.635 665 G HN 0.820 nan 8.290 nan 0.000 0.495 666 T N -0.929 113.678 114.554 0.089 0.000 2.897 666 T HA 0.535 4.885 4.350 0.001 0.000 0.278 666 T C 0.711 175.315 174.700 -0.160 0.000 0.981 666 T CA 0.526 62.595 62.100 -0.052 0.000 0.973 666 T CB 1.778 70.578 68.868 -0.114 0.000 1.092 666 T HN 0.332 nan 8.240 nan 0.000 0.543 667 D N -0.876 119.435 120.400 -0.149 0.000 2.370 667 D HA 0.097 4.737 4.640 0.001 0.000 0.230 667 D C -0.090 176.097 176.300 -0.187 0.000 1.143 667 D CA -0.280 53.620 54.000 -0.166 0.000 0.834 667 D CB -0.078 40.686 40.800 -0.060 0.000 0.944 667 D HN 0.680 nan 8.370 nan 0.000 0.504 668 E N -0.057 119.978 120.200 -0.276 0.000 2.183 668 E HA 0.337 4.688 4.350 0.001 0.000 0.271 668 E C -1.176 175.174 176.600 -0.417 0.000 0.919 668 E CA -0.829 55.461 56.400 -0.185 0.000 0.781 668 E CB 1.505 31.161 29.700 -0.073 0.000 1.140 668 E HN 0.141 nan 8.360 nan 0.000 0.402 669 Y N 0.894 121.227 120.300 0.054 0.000 2.338 669 Y HA 0.244 4.795 4.550 0.001 0.000 0.328 669 Y C -0.080 175.891 175.900 0.119 0.000 0.965 669 Y CA -0.958 57.150 58.100 0.013 0.000 1.208 669 Y CB 1.061 39.486 38.460 -0.058 0.000 1.132 669 Y HN 0.214 nan 8.280 nan 0.000 0.469 670 V N 4.501 124.552 119.914 0.228 0.000 2.715 670 V HA 0.056 4.177 4.120 0.001 0.000 0.299 670 V C 0.355 176.680 176.094 0.384 0.000 1.054 670 V CA -0.466 62.008 62.300 0.289 0.000 1.077 670 V CB 0.914 32.921 31.823 0.307 0.000 0.972 670 V HN 0.725 nan 8.190 nan 0.000 0.484 671 M N 3.731 123.576 119.600 0.407 0.000 2.249 671 M HA 0.582 5.062 4.480 0.001 0.000 0.351 671 M C 0.468 177.053 176.300 0.475 0.000 1.180 671 M CA 0.671 56.221 55.300 0.416 0.000 1.127 671 M CB 1.025 33.801 32.600 0.293 0.000 1.546 671 M HN 0.811 nan 8.290 nan 0.000 0.461 672 G N 0.942 110.000 108.800 0.430 0.000 3.392 672 G HA2 0.512 4.472 3.960 0.001 0.000 0.185 672 G HA3 0.512 4.472 3.960 0.001 0.000 0.185 672 G C -1.155 173.828 174.900 0.138 0.000 1.206 672 G CA -0.254 44.988 45.100 0.237 0.000 0.776 672 G HN 0.613 nan 8.290 nan 0.000 0.697 673 T N 2.106 116.694 114.554 0.056 0.000 2.921 673 T HA 0.625 4.976 4.350 0.001 0.000 0.297 673 T C -2.925 171.762 174.700 -0.021 0.000 1.013 673 T CA -1.287 60.833 62.100 0.033 0.000 0.990 673 T CB 2.035 70.913 68.868 0.017 0.000 1.023 673 T HN 0.249 nan 8.240 nan 0.000 0.447 674 P HA 0.187 nan 4.420 nan 0.000 0.275 674 P C 0.447 177.680 177.300 -0.113 0.000 1.228 674 P CA -0.511 62.559 63.100 -0.049 0.000 0.786 674 P CB 1.130 32.830 31.700 0.001 0.000 0.927 675 L N 2.408 123.504 121.223 -0.210 0.000 2.249 675 L HA 0.264 4.604 4.340 0.001 0.000 0.207 675 L C 0.575 177.152 176.870 -0.489 0.000 1.090 675 L CA 1.231 55.819 54.840 -0.419 0.000 0.802 675 L CB -0.461 41.193 42.059 -0.675 0.000 0.947 675 L HN 0.173 nan 8.230 nan 0.000 0.453 676 F N -0.696 119.171 119.950 -0.138 0.000 2.450 676 F HA 0.335 4.863 4.527 0.001 0.000 0.328 676 F C 1.643 177.404 175.800 -0.065 0.000 1.068 676 F CA -0.579 57.358 58.000 -0.105 0.000 1.007 676 F CB 0.701 39.619 39.000 -0.137 0.000 1.251 676 F HN -0.312 nan 8.300 nan 0.000 0.492 677 K N 0.170 120.676 120.400 0.176 0.000 2.025 677 K HA -0.046 4.275 4.320 0.001 0.000 0.207 677 K C 0.384 177.031 176.600 0.078 0.000 1.049 677 K CA 1.248 57.593 56.287 0.096 0.000 0.933 677 K CB 0.132 32.684 32.500 0.086 0.000 0.714 677 K HN 0.361 nan 8.250 nan 0.000 0.438 678 K N -0.067 120.382 120.400 0.082 0.000 2.427 678 K HA 0.469 4.789 4.320 0.001 0.000 0.252 678 K C -1.944 174.635 176.600 -0.036 0.000 0.931 678 K CA -0.469 55.833 56.287 0.024 0.000 0.793 678 K CB 2.198 34.709 32.500 0.018 0.000 1.211 678 K HN 0.029 nan 8.250 nan 0.000 0.426 679 A N 2.186 124.967 122.820 -0.065 0.000 2.374 679 A HA 0.561 4.882 4.320 0.001 0.000 0.305 679 A C -1.133 176.365 177.584 -0.144 0.000 1.053 679 A CA -0.589 51.360 52.037 -0.145 0.000 0.726 679 A CB 1.663 20.566 19.000 -0.162 0.000 1.229 679 A HN 0.555 nan 8.150 nan 0.000 0.431 680 T N 3.308 117.740 114.554 -0.202 0.000 2.786 680 T HA 0.559 4.910 4.350 0.001 0.000 0.283 680 T C -0.466 173.925 174.700 -0.515 0.000 0.992 680 T CA -0.187 61.731 62.100 -0.305 0.000 0.954 680 T CB 0.505 69.218 68.868 -0.258 0.000 0.934 680 T HN 0.470 nan 8.240 nan 0.000 0.440 681 L N 4.416 125.289 121.223 -0.582 0.000 2.287 681 L HA 0.480 4.821 4.340 0.001 0.000 0.287 681 L C -0.019 176.228 176.870 -1.039 0.000 1.022 681 L CA -1.069 53.319 54.840 -0.753 0.000 0.814 681 L CB 0.733 42.385 42.059 -0.679 0.000 1.217 681 L HN 0.567 nan 8.230 nan 0.000 0.420 682 H N 3.873 122.628 119.070 -0.525 0.000 2.597 682 H HA 0.353 4.910 4.556 0.001 0.000 0.303 682 H C -0.505 174.551 175.328 -0.454 0.000 1.057 682 H CA -0.517 55.271 56.048 -0.434 0.000 1.261 682 H CB 0.791 30.423 29.762 -0.218 0.000 1.397 682 H HN 0.287 nan 8.280 nan 0.000 0.461 683 F N 0.734 120.654 119.950 -0.049 0.000 2.370 683 F HA 0.112 4.640 4.527 0.001 0.000 0.324 683 F C 1.955 177.653 175.800 -0.170 0.000 1.116 683 F CA -0.605 57.290 58.000 -0.176 0.000 1.123 683 F CB 0.806 39.601 39.000 -0.341 0.000 1.238 683 F HN 0.486 nan 8.300 nan 0.000 0.536 684 E N 0.429 120.631 120.200 0.004 0.000 2.265 684 E HA -0.205 4.146 4.350 0.001 0.000 0.196 684 E C 1.392 177.955 176.600 -0.062 0.000 0.996 684 E CA 1.077 57.460 56.400 -0.028 0.000 0.832 684 E CB -0.201 29.489 29.700 -0.017 0.000 0.756 684 E HN 0.562 nan 8.360 nan 0.000 0.491 685 N N -0.164 118.451 118.700 -0.143 0.000 2.521 685 N HA -0.044 4.697 4.740 0.001 0.000 0.188 685 N C 1.179 176.657 175.510 -0.052 0.000 1.146 685 N CA 1.083 54.053 53.050 -0.134 0.000 0.893 685 N CB 0.353 38.684 38.487 -0.260 0.000 0.975 685 N HN 0.174 nan 8.380 nan 0.000 0.451 686 G N -1.035 107.758 108.800 -0.011 0.000 2.234 686 G HA2 -0.285 3.675 3.960 0.001 0.000 0.235 686 G HA3 -0.285 3.675 3.960 0.001 0.000 0.235 686 G C -0.134 174.792 174.900 0.043 0.000 0.997 686 G CA 0.012 45.118 45.100 0.010 0.000 0.623 686 G HN 0.490 nan 8.290 nan 0.000 0.514 687 N N 0.751 119.496 118.700 0.076 0.000 2.424 687 N HA 0.636 5.376 4.740 0.001 0.000 0.257 687 N C -0.081 175.523 175.510 0.157 0.000 1.250 687 N CA 0.422 53.552 53.050 0.133 0.000 0.946 687 N CB 1.313 39.900 38.487 0.166 0.000 1.175 687 N HN 0.253 nan 8.380 nan 0.000 0.477 688 S N 0.253 116.027 115.700 0.124 0.000 2.599 688 S HA 0.583 5.054 4.470 0.001 0.000 0.294 688 S C -1.093 173.523 174.600 0.026 0.000 1.094 688 S CA -0.735 57.469 58.200 0.007 0.000 0.931 688 S CB 1.495 64.750 63.200 0.091 0.000 1.093 688 S HN 0.347 nan 8.310 nan 0.000 0.488 689 L N 3.117 124.273 121.223 -0.111 0.000 2.441 689 L HA 0.584 4.925 4.340 0.001 0.000 0.270 689 L C -1.584 175.242 176.870 -0.074 0.000 0.973 689 L CA -0.538 54.308 54.840 0.011 0.000 0.842 689 L CB 1.487 43.650 42.059 0.173 0.000 1.239 689 L HN 0.463 nan 8.230 nan 0.000 0.406 690 V N 6.070 125.968 119.914 -0.027 0.000 2.439 690 V HA 0.414 4.534 4.120 0.001 0.000 0.282 690 V C 0.298 176.373 176.094 -0.031 0.000 1.039 690 V CA -0.341 61.935 62.300 -0.040 0.000 0.913 690 V CB 1.811 33.626 31.823 -0.013 0.000 0.983 690 V HN 0.541 nan 8.190 nan 0.000 0.460 691 I N 4.234 124.784 120.570 -0.034 0.000 2.330 691 I HA 0.349 4.519 4.170 0.001 0.000 0.286 691 I C -0.081 176.032 176.117 -0.006 0.000 1.025 691 I CA 0.030 61.317 61.300 -0.021 0.000 1.197 691 I CB 0.951 38.956 38.000 0.008 0.000 1.358 691 I HN 0.549 nan 8.210 nan 0.000 0.467 692 D N 6.363 126.762 120.400 -0.002 0.000 2.303 692 D HA 0.547 5.188 4.640 0.001 0.000 0.236 692 D C -0.525 175.785 176.300 0.018 0.000 1.068 692 D CA -0.206 53.801 54.000 0.012 0.000 0.830 692 D CB 2.118 42.927 40.800 0.014 0.000 1.109 692 D HN 0.611 nan 8.370 nan 0.000 0.496 693 A N 4.999 127.834 122.820 0.025 0.000 3.410 693 A HA 0.308 4.629 4.320 0.001 0.000 0.276 693 A C -1.877 175.723 177.584 0.026 0.000 0.995 693 A CA -0.784 51.268 52.037 0.025 0.000 0.934 693 A CB 0.785 19.800 19.000 0.026 0.000 1.191 693 A HN 0.330 nan 8.150 nan 0.000 0.511 694 P HA -0.146 nan 4.420 nan 0.000 0.221 694 P C 0.697 178.009 177.300 0.019 0.000 1.145 694 P CA 1.260 64.375 63.100 0.025 0.000 0.795 694 P CB 0.216 31.929 31.700 0.022 0.000 0.775 695 N N -1.014 117.694 118.700 0.014 0.000 2.336 695 N HA 0.004 4.745 4.740 0.001 0.000 0.189 695 N C 0.523 176.034 175.510 0.001 0.000 1.113 695 N CA -0.193 52.860 53.050 0.006 0.000 0.858 695 N CB -0.548 37.941 38.487 0.002 0.000 0.970 695 N HN -0.063 nan 8.380 nan 0.000 0.471 696 N N 0.691 119.393 118.700 0.004 0.000 2.356 696 N HA -0.041 4.699 4.740 0.001 0.000 0.252 696 N C -0.437 175.065 175.510 -0.013 0.000 1.241 696 N CA 0.563 53.609 53.050 -0.007 0.000 0.861 696 N CB 0.426 38.907 38.487 -0.009 0.000 1.075 696 N HN 0.331 nan 8.380 nan 0.000 0.461 697 S N 0.228 115.917 115.700 -0.018 0.000 2.703 697 S HA 0.285 4.756 4.470 0.001 0.000 0.273 697 S C 0.846 175.441 174.600 -0.008 0.000 1.178 697 S CA -0.427 57.761 58.200 -0.019 0.000 0.838 697 S CB 0.402 63.596 63.200 -0.011 0.000 1.178 697 S HN 0.373 nan 8.310 nan 0.000 0.494 698 T N 1.249 115.798 114.554 -0.008 0.000 2.833 698 T HA -0.004 4.346 4.350 0.001 0.000 0.269 698 T C 1.185 175.949 174.700 0.106 0.000 1.054 698 T CA 2.146 64.252 62.100 0.010 0.000 1.135 698 T CB -0.450 68.410 68.868 -0.014 0.000 0.869 698 T HN 0.674 nan 8.240 nan 0.000 0.466 699 E N 0.943 121.188 120.200 0.074 0.000 2.216 699 E HA 0.095 4.445 4.350 0.001 0.000 0.192 699 E C 0.461 177.014 176.600 -0.078 0.000 0.973 699 E CA 0.216 56.654 56.400 0.065 0.000 0.851 699 E CB 0.111 29.813 29.700 0.004 0.000 0.804 699 E HN 0.254 nan 8.360 nan 0.000 0.477 700 N N 1.356 120.025 118.700 -0.052 0.000 3.124 700 N HA 0.055 4.796 4.740 0.001 0.000 0.284 700 N C -0.474 174.985 175.510 -0.085 0.000 1.209 700 N CA -0.004 52.979 53.050 -0.111 0.000 1.149 700 N CB -0.115 38.342 38.487 -0.049 0.000 1.434 700 N HN 0.210 nan 8.380 nan 0.000 0.529 701 F N -1.912 117.955 119.950 -0.139 0.000 2.682 701 F HA 0.418 4.945 4.527 0.001 0.000 0.308 701 F C -0.216 175.431 175.800 -0.256 0.000 1.093 701 F CA -0.940 56.918 58.000 -0.236 0.000 1.244 701 F CB -0.327 38.470 39.000 -0.339 0.000 1.052 701 F HN -0.118 nan 8.300 nan 0.000 0.573 702 Y N 2.184 122.365 120.300 -0.198 0.000 2.301 702 Y HA 0.484 5.034 4.550 0.001 0.000 0.325 702 Y C 0.433 176.325 175.900 -0.014 0.000 1.203 702 Y CA -1.521 56.541 58.100 -0.063 0.000 1.255 702 Y CB 0.814 39.177 38.460 -0.161 0.000 1.232 702 Y HN -0.114 nan 8.280 nan 0.000 0.501 703 I N 2.700 123.404 120.570 0.223 0.000 2.312 703 I HA 0.069 4.240 4.170 0.001 0.000 0.291 703 I C 0.468 176.655 176.117 0.118 0.000 1.031 703 I CA 0.059 61.446 61.300 0.144 0.000 1.293 703 I CB 1.113 39.198 38.000 0.142 0.000 1.403 703 I HN 0.717 nan 8.210 nan 0.000 0.484 704 D N 3.905 124.345 120.400 0.067 0.000 2.144 704 D HA -0.050 4.591 4.640 0.001 0.000 0.207 704 D C 0.542 176.864 176.300 0.036 0.000 0.970 704 D CA 0.921 54.937 54.000 0.027 0.000 0.853 704 D CB 0.501 41.300 40.800 -0.002 0.000 1.007 704 D HN 0.591 nan 8.370 nan 0.000 0.469 705 S N -1.307 114.420 115.700 0.045 0.000 2.579 705 S HA 0.599 5.070 4.470 0.001 0.000 0.272 705 S C -0.859 173.781 174.600 0.068 0.000 1.141 705 S CA -1.052 57.180 58.200 0.054 0.000 0.843 705 S CB 1.809 65.032 63.200 0.039 0.000 1.122 705 S HN 0.067 nan 8.310 nan 0.000 0.468 706 M N 2.310 121.962 119.600 0.087 0.000 2.457 706 M HA 0.546 5.027 4.480 0.001 0.000 0.300 706 M C -1.194 175.181 176.300 0.125 0.000 1.141 706 M CA -0.447 54.913 55.300 0.101 0.000 0.901 706 M CB 2.571 35.254 32.600 0.138 0.000 1.687 706 M HN 1.030 nan 8.290 nan 0.000 0.449 707 S N 2.062 117.823 115.700 0.102 0.000 2.557 707 S HA 0.620 5.091 4.470 0.001 0.000 0.291 707 S C -1.246 173.439 174.600 0.142 0.000 1.116 707 S CA -0.699 57.582 58.200 0.134 0.000 0.992 707 S CB 1.674 64.934 63.200 0.100 0.000 1.028 707 S HN 0.533 nan 8.310 nan 0.000 0.484 708 F N 3.942 123.883 119.950 -0.015 0.000 2.313 708 F HA 0.468 4.996 4.527 0.001 0.000 0.369 708 F C 0.597 176.378 175.800 -0.032 0.000 1.109 708 F CA -1.265 56.682 58.000 -0.087 0.000 1.132 708 F CB -0.482 38.373 39.000 -0.240 0.000 1.291 708 F HN 0.869 nan 8.300 nan 0.000 0.496 709 N N 3.921 122.823 118.700 0.337 0.000 2.740 709 N HA -0.212 4.528 4.740 0.001 0.000 0.248 709 N C 1.074 176.635 175.510 0.085 0.000 1.062 709 N CA 1.245 54.388 53.050 0.154 0.000 0.704 709 N CB -1.108 37.417 38.487 0.062 0.000 0.968 709 N HN 1.119 nan 8.380 nan 0.000 0.547 710 G N -1.411 107.445 108.800 0.093 0.000 2.490 710 G HA2 -0.192 3.768 3.960 0.001 0.000 0.214 710 G HA3 -0.192 3.768 3.960 0.001 0.000 0.214 710 G C 0.227 175.168 174.900 0.069 0.000 1.151 710 G CA 0.523 45.662 45.100 0.065 0.000 0.684 710 G HN 1.229 nan 8.290 nan 0.000 0.518 711 A N 0.761 123.624 122.820 0.072 0.000 2.440 711 A HA 0.523 4.844 4.320 0.001 0.000 0.251 711 A C 0.133 177.789 177.584 0.119 0.000 1.089 711 A CA 0.876 52.958 52.037 0.075 0.000 0.779 711 A CB 0.250 19.282 19.000 0.053 0.000 1.022 711 A HN 0.663 nan 8.150 nan 0.000 0.492 712 D N 0.689 121.149 120.400 0.099 0.000 2.417 712 D HA 0.103 4.744 4.640 0.001 0.000 0.250 712 D C -0.142 176.252 176.300 0.156 0.000 1.166 712 D CA 0.885 54.951 54.000 0.111 0.000 0.881 712 D CB 0.151 40.990 40.800 0.066 0.000 1.164 712 D HN 0.518 nan 8.370 nan 0.000 0.467 713 H N 2.738 121.844 119.070 0.061 0.000 2.638 713 H HA 0.241 4.798 4.556 0.001 0.000 0.317 713 H C 0.076 175.423 175.328 0.032 0.000 1.006 713 H CA -0.233 55.847 56.048 0.053 0.000 1.222 713 H CB 1.147 30.964 29.762 0.092 0.000 1.419 713 H HN 0.505 nan 8.280 nan 0.000 0.489 714 T N 1.299 115.732 114.554 -0.202 0.000 3.132 714 T HA 0.244 4.595 4.350 0.001 0.000 0.274 714 T C 0.435 175.022 174.700 -0.188 0.000 1.011 714 T CA -0.554 61.479 62.100 -0.112 0.000 0.899 714 T CB 0.285 69.128 68.868 -0.042 0.000 1.089 714 T HN 0.342 nan 8.240 nan 0.000 0.543 715 K N 1.869 121.976 120.400 -0.489 0.000 2.258 715 K HA 0.317 4.637 4.320 0.001 0.000 0.264 715 K C 0.515 177.031 176.600 -0.139 0.000 1.007 715 K CA -0.446 55.593 56.287 -0.413 0.000 0.941 715 K CB 0.385 32.389 32.500 -0.826 0.000 0.966 715 K HN -0.000 nan 8.250 nan 0.000 0.480 716 N N 1.824 120.538 118.700 0.024 0.000 2.322 716 N HA 0.046 4.786 4.740 0.001 0.000 0.216 716 N C -1.215 174.453 175.510 0.264 0.000 1.144 716 N CA 0.174 53.311 53.050 0.145 0.000 0.830 716 N CB -0.051 38.508 38.487 0.121 0.000 1.034 716 N HN 0.444 nan 8.380 nan 0.000 0.484 717 Y N -2.276 118.095 120.300 0.118 0.000 2.609 717 Y HA 0.634 5.184 4.550 0.001 0.000 0.336 717 Y C -1.665 174.366 175.900 0.218 0.000 1.129 717 Y CA -1.383 56.801 58.100 0.141 0.000 1.040 717 Y CB 0.741 39.246 38.460 0.076 0.000 1.310 717 Y HN -0.266 nan 8.280 nan 0.000 0.460 718 L N 2.965 124.326 121.223 0.230 0.000 2.354 718 L HA 0.701 5.041 4.340 0.001 0.000 0.269 718 L C -0.462 176.573 176.870 0.276 0.000 1.005 718 L CA -1.107 53.807 54.840 0.123 0.000 0.819 718 L CB 2.357 44.325 42.059 -0.152 0.000 1.311 718 L HN 0.678 nan 8.230 nan 0.000 0.423 719 R N -0.125 120.525 120.500 0.249 0.000 2.368 719 R HA 0.226 4.567 4.340 0.001 0.000 0.302 719 R C 0.513 176.925 176.300 0.187 0.000 1.002 719 R CA -0.723 55.525 56.100 0.245 0.000 0.929 719 R CB 1.460 31.889 30.300 0.215 0.000 1.073 719 R HN 0.553 nan 8.270 nan 0.000 0.464 720 H N 2.546 121.671 119.070 0.093 0.000 2.319 720 H HA -0.244 4.312 4.556 0.001 0.000 0.297 720 H C 2.201 177.359 175.328 -0.284 0.000 1.097 720 H CA 2.988 59.006 56.048 -0.049 0.000 1.285 720 H CB 0.356 30.038 29.762 -0.133 0.000 1.368 720 H HN 0.848 nan 8.280 nan 0.000 0.495 721 E N 0.717 120.869 120.200 -0.080 0.000 2.110 721 E HA -0.191 4.159 4.350 0.001 0.000 0.193 721 E C 1.968 178.539 176.600 -0.048 0.000 0.988 721 E CA 1.485 57.841 56.400 -0.073 0.000 0.804 721 E CB -0.577 29.132 29.700 0.014 0.000 0.745 721 E HN 0.688 nan 8.360 nan 0.000 0.458 722 D N 0.180 120.570 120.400 -0.017 0.000 2.117 722 D HA -0.059 4.581 4.640 0.001 0.000 0.198 722 D C 2.133 178.493 176.300 0.100 0.000 0.982 722 D CA 1.019 55.013 54.000 -0.010 0.000 0.828 722 D CB -0.211 40.592 40.800 0.004 0.000 0.967 722 D HN 0.450 nan 8.370 nan 0.000 0.464 723 L N -0.178 121.088 121.223 0.072 0.000 2.046 723 L HA -0.142 4.198 4.340 0.001 0.000 0.208 723 L C 2.370 179.232 176.870 -0.014 0.000 1.077 723 L CA 0.650 55.532 54.840 0.069 0.000 0.747 723 L CB -0.394 41.580 42.059 -0.141 0.000 0.896 723 L HN -0.057 nan 8.230 nan 0.000 0.432 724 F N 0.853 120.490 119.950 -0.521 0.000 2.250 724 F HA -0.198 4.330 4.527 0.001 0.000 0.301 724 F C 2.465 178.151 175.800 -0.191 0.000 1.077 724 F CA 1.055 58.699 58.000 -0.595 0.000 1.348 724 F CB -0.654 38.044 39.000 -0.504 0.000 1.040 724 F HN 0.031 nan 8.300 nan 0.000 0.509 725 K N -0.382 120.070 120.400 0.087 0.000 2.097 725 K HA 0.104 4.424 4.320 0.001 0.000 0.206 725 K C 1.311 177.981 176.600 0.117 0.000 1.049 725 K CA 0.867 57.194 56.287 0.067 0.000 0.933 725 K CB -0.511 31.993 32.500 0.007 0.000 0.717 725 K HN 0.407 nan 8.250 nan 0.000 0.442 726 G N -0.915 108.006 108.800 0.202 0.000 2.548 726 G HA2 0.086 4.046 3.960 0.001 0.000 0.208 726 G HA3 0.086 4.046 3.960 0.001 0.000 0.208 726 G C 0.245 175.276 174.900 0.219 0.000 1.308 726 G CA -0.406 44.844 45.100 0.249 0.000 0.924 726 G HN 0.660 nan 8.290 nan 0.000 0.540 727 G N -2.697 106.204 108.800 0.169 0.000 2.709 727 G HA2 0.457 4.417 3.960 0.001 0.000 0.228 727 G HA3 0.457 4.417 3.960 0.001 0.000 0.228 727 G C 0.015 174.995 174.900 0.135 0.000 1.215 727 G CA 0.799 45.986 45.100 0.145 0.000 1.003 727 G HN 2.457 nan 8.290 nan 0.000 0.584 728 T N 0.629 115.279 114.554 0.160 0.000 3.032 728 T HA 0.627 4.978 4.350 0.001 0.000 0.312 728 T C -0.354 174.396 174.700 0.083 0.000 1.078 728 T CA -0.302 61.853 62.100 0.092 0.000 1.028 728 T CB 1.669 70.579 68.868 0.071 0.000 1.091 728 T HN 0.674 nan 8.240 nan 0.000 0.457 729 I N 2.679 123.217 120.570 -0.053 0.000 2.377 729 I HA 0.473 4.643 4.170 0.001 0.000 0.293 729 I C 0.089 176.176 176.117 -0.051 0.000 0.987 729 I CA -0.855 60.355 61.300 -0.150 0.000 1.185 729 I CB 1.744 39.520 38.000 -0.373 0.000 1.341 729 I HN 0.347 nan 8.210 nan 0.000 0.455 730 K N 6.452 126.844 120.400 -0.014 0.000 2.235 730 K HA 0.634 4.955 4.320 0.001 0.000 0.266 730 K C -1.621 174.989 176.600 0.016 0.000 0.980 730 K CA -0.473 55.821 56.287 0.011 0.000 0.849 730 K CB 1.612 34.131 32.500 0.031 0.000 1.098 730 K HN 0.434 nan 8.250 nan 0.000 0.445 731 V N 3.153 123.079 119.914 0.020 0.000 2.409 731 V HA 0.176 4.296 4.120 0.001 0.000 0.291 731 V C -0.799 175.315 176.094 0.033 0.000 1.020 731 V CA -0.934 61.386 62.300 0.033 0.000 0.848 731 V CB 1.433 33.278 31.823 0.037 0.000 0.990 731 V HN 0.807 nan 8.190 nan 0.000 0.430 732 D N 5.087 125.510 120.400 0.037 0.000 2.396 732 D HA 0.457 5.097 4.640 0.001 0.000 0.225 732 D C -0.132 176.185 176.300 0.029 0.000 1.121 732 D CA -0.337 53.680 54.000 0.028 0.000 0.853 732 D CB 0.674 41.489 40.800 0.025 0.000 1.043 732 D HN 0.251 nan 8.370 nan 0.000 0.500 733 M N 1.859 121.472 119.600 0.020 0.000 2.314 733 M HA 0.396 4.876 4.480 0.001 0.000 0.342 733 M C 0.088 176.386 176.300 -0.002 0.000 1.171 733 M CA -0.530 54.780 55.300 0.016 0.000 1.098 733 M CB 0.995 33.599 32.600 0.007 0.000 1.559 733 M HN 0.315 nan 8.290 nan 0.000 0.459 734 S N 1.083 116.780 115.700 -0.006 0.000 2.579 734 S HA 0.494 4.965 4.470 0.001 0.000 0.272 734 S C 0.209 174.776 174.600 -0.055 0.000 1.141 734 S CA -0.697 57.486 58.200 -0.029 0.000 0.843 734 S CB 1.073 64.254 63.200 -0.031 0.000 1.122 734 S HN 0.746 nan 8.310 nan 0.000 0.468 735 N N 1.724 120.374 118.700 -0.084 0.000 2.336 735 N HA 0.099 4.839 4.740 0.001 0.000 0.189 735 N C 0.124 175.596 175.510 -0.064 0.000 1.113 735 N CA -0.155 52.821 53.050 -0.124 0.000 0.858 735 N CB -0.215 38.206 38.487 -0.110 0.000 0.970 735 N HN 0.674 nan 8.380 nan 0.000 0.471 736 R N -0.100 120.307 120.500 -0.154 0.000 2.740 736 R HA 0.589 4.930 4.340 0.001 0.000 0.282 736 R C -3.005 172.823 176.300 -0.786 0.000 0.969 736 R CA -1.899 53.952 56.100 -0.415 0.000 0.918 736 R CB 1.159 31.284 30.300 -0.293 0.000 1.175 736 R HN -0.077 nan 8.270 nan 0.000 0.464 737 P HA 0.006 nan 4.420 nan 0.000 0.276 737 P C -1.007 175.909 177.300 -0.640 0.000 1.230 737 P CA -0.419 61.978 63.100 -1.172 0.000 0.776 737 P CB 0.718 31.720 31.700 -1.163 0.000 0.888 738 N N 3.431 121.902 118.700 -0.381 0.000 2.415 738 N HA 0.052 4.792 4.740 0.001 0.000 0.246 738 N C 0.657 175.934 175.510 -0.388 0.000 1.078 738 N CA -0.238 52.638 53.050 -0.290 0.000 0.942 738 N CB -0.161 38.258 38.487 -0.114 0.000 1.140 738 N HN 0.121 nan 8.380 nan 0.000 0.501 739 L N 3.006 123.866 121.223 -0.603 0.000 2.552 739 L HA 0.102 4.442 4.340 0.001 0.000 0.227 739 L C 1.403 178.090 176.870 -0.305 0.000 1.146 739 L CA 0.640 54.960 54.840 -0.867 0.000 0.858 739 L CB -0.738 40.867 42.059 -0.757 0.000 0.969 739 L HN 0.563 nan 8.230 nan 0.000 0.451 740 N N -0.587 118.029 118.700 -0.140 0.000 2.432 740 N HA -0.010 4.731 4.740 0.001 0.000 0.174 740 N C 1.034 176.581 175.510 0.061 0.000 1.037 740 N CA 0.061 53.098 53.050 -0.021 0.000 0.892 740 N CB 0.393 38.856 38.487 -0.040 0.000 1.049 740 N HN 0.238 nan 8.380 nan 0.000 0.442 741 R N 0.946 121.493 120.500 0.079 0.000 2.389 741 R HA 0.265 4.606 4.340 0.001 0.000 0.295 741 R C 0.362 176.769 176.300 0.179 0.000 1.075 741 R CA 0.666 56.832 56.100 0.110 0.000 1.005 741 R CB 0.156 30.513 30.300 0.096 0.000 0.987 741 R HN 0.294 nan 8.270 nan 0.000 0.452 742 G N 2.903 111.775 108.800 0.120 0.000 2.225 742 G HA2 -0.277 3.683 3.960 0.001 0.000 0.264 742 G HA3 -0.277 3.683 3.960 0.001 0.000 0.264 742 G C 0.448 175.423 174.900 0.124 0.000 1.060 742 G CA 0.611 45.778 45.100 0.111 0.000 0.833 742 G HN 0.760 nan 8.290 nan 0.000 0.498 743 T N -3.373 111.256 114.554 0.125 0.000 2.971 743 T HA 0.389 4.739 4.350 0.001 0.000 0.252 743 T C 1.038 175.786 174.700 0.080 0.000 1.022 743 T CA 0.508 62.684 62.100 0.126 0.000 0.980 743 T CB 0.757 69.727 68.868 0.169 0.000 1.044 743 T HN 0.390 nan 8.240 nan 0.000 0.501 744 K N 2.129 122.566 120.400 0.061 0.000 2.355 744 K HA 0.155 4.476 4.320 0.001 0.000 0.270 744 K C 1.447 178.070 176.600 0.039 0.000 1.003 744 K CA -0.206 56.107 56.287 0.044 0.000 0.957 744 K CB 0.581 33.101 32.500 0.033 0.000 0.939 744 K HN -0.002 nan 8.250 nan 0.000 0.482 745 E N 2.514 122.733 120.200 0.031 0.000 2.160 745 E HA -0.253 4.097 4.350 0.001 0.000 0.195 745 E C 1.082 177.703 176.600 0.034 0.000 0.991 745 E CA 1.441 57.855 56.400 0.024 0.000 0.810 745 E CB 0.286 29.995 29.700 0.015 0.000 0.742 745 E HN 0.704 nan 8.360 nan 0.000 0.466 746 E N -0.003 120.223 120.200 0.044 0.000 2.481 746 E HA -0.111 4.240 4.350 0.001 0.000 0.195 746 E C 0.575 177.234 176.600 0.098 0.000 1.047 746 E CA 0.398 56.839 56.400 0.069 0.000 0.867 746 E CB -0.005 29.728 29.700 0.055 0.000 0.858 746 E HN 0.089 nan 8.360 nan 0.000 0.513 747 D N 0.521 120.962 120.400 0.068 0.000 2.363 747 D HA 0.030 4.671 4.640 0.001 0.000 0.220 747 D C 0.387 176.772 176.300 0.142 0.000 0.994 747 D CA 0.435 54.475 54.000 0.066 0.000 0.890 747 D CB 0.124 40.945 40.800 0.035 0.000 0.906 747 D HN 0.195 nan 8.370 nan 0.000 0.530 748 M N 1.100 120.764 119.600 0.106 0.000 2.235 748 M HA 0.298 4.778 4.480 0.001 0.000 0.351 748 M C -2.163 174.080 176.300 -0.095 0.000 1.178 748 M CA -2.525 52.766 55.300 -0.015 0.000 1.143 748 M CB 0.496 33.063 32.600 -0.056 0.000 1.530 748 M HN -0.291 nan 8.290 nan 0.000 0.461 749 P HA 0.127 nan 4.420 nan 0.000 0.276 749 P C -0.827 176.294 177.300 -0.297 0.000 1.261 749 P CA -0.480 62.255 63.100 -0.608 0.000 0.800 749 P CB 0.280 31.625 31.700 -0.593 0.000 1.066 750 Y N 0.624 120.747 120.300 -0.295 0.000 2.811 750 Y HA 0.104 4.655 4.550 0.001 0.000 0.334 750 Y C -0.225 175.728 175.900 0.087 0.000 1.247 750 Y CA 1.303 59.365 58.100 -0.063 0.000 1.526 750 Y CB 0.091 38.546 38.460 -0.008 0.000 1.284 750 Y HN 0.196 nan 8.280 nan 0.000 0.586 751 S N 6.941 122.291 115.700 -0.583 0.000 2.547 751 S HA 0.173 4.643 4.470 0.001 0.000 0.281 751 S C -0.029 174.120 174.600 -0.752 0.000 1.118 751 S CA -0.803 57.114 58.200 -0.472 0.000 0.947 751 S CB 1.014 64.096 63.200 -0.197 0.000 1.053 751 S HN 0.743 nan 8.310 nan 0.000 0.482 752 F N 2.916 122.559 119.950 -0.512 0.000 2.333 752 F HA -0.049 4.478 4.527 0.001 0.000 0.300 752 F C 2.107 177.856 175.800 -0.085 0.000 1.083 752 F CA 1.372 59.296 58.000 -0.127 0.000 1.395 752 F CB -0.293 38.848 39.000 0.234 0.000 1.056 752 F HN 0.547 nan 8.300 nan 0.000 0.529 753 S N -0.122 115.441 115.700 -0.228 0.000 2.447 753 S HA -0.103 4.368 4.470 0.001 0.000 0.233 753 S C 1.590 176.049 174.600 -0.234 0.000 1.006 753 S CA 0.821 58.868 58.200 -0.254 0.000 0.957 753 S CB -0.235 62.878 63.200 -0.145 0.000 0.773 753 S HN 0.411 nan 8.310 nan 0.000 0.507 754 K N 0.759 121.023 120.400 -0.227 0.000 2.410 754 K HA 0.235 4.555 4.320 0.001 0.000 0.200 754 K C 0.549 177.072 176.600 -0.127 0.000 1.023 754 K CA 0.101 56.290 56.287 -0.164 0.000 1.149 754 K CB 0.460 32.870 32.500 -0.150 0.000 0.859 754 K HN 0.368 nan 8.250 nan 0.000 0.514 755 E N 0.000 120.112 120.200 -0.147 0.000 2.725 755 E HA 0.000 4.351 4.350 0.001 0.000 0.291 755 E CA 0.000 56.393 56.400 -0.012 0.000 0.976 755 E CB 0.000 29.822 29.700 0.203 0.000 0.812 755 E HN 0.000 nan 8.360 nan 0.000 0.440