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 2ww0_1_C 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 YSFSKEL 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 0.000 176.134 176.600 -0.777 0.000 0.988 20 K CA 0.000 55.974 56.287 -0.521 0.000 0.838 20 K CB 0.000 32.142 32.500 -0.596 0.000 1.064 21 D N 1.156 121.062 120.400 -0.823 0.000 2.408 21 D HA 0.547 5.187 4.640 -0.001 0.000 0.243 21 D C 0.173 176.034 176.300 -0.732 0.000 1.075 21 D CA -0.407 53.233 54.000 -0.601 0.000 0.832 21 D CB 0.663 41.232 40.800 -0.384 0.000 1.162 21 D HN 0.557 nan 8.370 nan 0.000 0.515 22 W N 2.381 123.552 121.300 -0.216 0.000 3.107 22 W HA 0.001 4.661 4.660 -0.001 0.000 0.293 22 W C 1.774 178.146 176.519 -0.245 0.000 1.239 22 W CA 0.558 57.709 57.345 -0.324 0.000 1.653 22 W CB -0.106 29.018 29.460 -0.561 0.000 1.068 22 W HN 0.541 nan 8.180 nan 0.000 0.615 23 T N -0.820 113.740 114.554 0.011 0.000 2.929 23 T HA -0.277 4.072 4.350 -0.001 0.000 0.271 23 T C 1.665 176.323 174.700 -0.070 0.000 1.085 23 T CA 1.539 63.652 62.100 0.022 0.000 1.125 23 T CB -0.382 68.569 68.868 0.138 0.000 0.874 23 T HN 0.366 nan 8.240 nan 0.000 0.494 24 Q N -0.151 119.513 119.800 -0.227 0.000 2.364 24 Q HA -0.134 4.206 4.340 -0.001 0.000 0.209 24 Q C 1.285 177.127 176.000 -0.263 0.000 0.977 24 Q CA 1.289 56.906 55.803 -0.309 0.000 0.885 24 Q CB -0.734 27.700 28.738 -0.505 0.000 0.941 24 Q HN 0.624 nan 8.270 nan 0.000 0.464 25 Y N 0.355 120.684 120.300 0.048 0.000 2.500 25 Y HA 0.241 4.791 4.550 -0.001 0.000 0.270 25 Y C 0.562 176.534 175.900 0.120 0.000 1.134 25 Y CA -0.686 57.503 58.100 0.149 0.000 1.293 25 Y CB 0.699 39.352 38.460 0.321 0.000 1.063 25 Y HN -0.116 nan 8.280 nan 0.000 0.534 26 V N 2.361 122.351 119.914 0.125 0.000 2.455 26 V HA 0.076 4.196 4.120 -0.001 0.000 0.273 26 V C -0.122 175.895 176.094 -0.128 0.000 1.045 26 V CA -0.520 61.757 62.300 -0.038 0.000 0.976 26 V CB 0.682 32.319 31.823 -0.310 0.000 0.993 26 V HN 0.238 nan 8.190 nan 0.000 0.475 27 N N 7.461 126.120 118.700 -0.069 0.000 2.621 27 N HA 0.393 5.133 4.740 -0.001 0.000 0.237 27 N C -1.938 173.532 175.510 -0.067 0.000 0.997 27 N CA -2.229 50.786 53.050 -0.058 0.000 0.918 27 N CB 1.925 40.419 38.487 0.010 0.000 1.122 27 N HN 0.204 nan 8.380 nan 0.000 0.510 28 P HA -0.005 nan 4.420 nan 0.000 0.231 28 P C 0.783 178.112 177.300 0.049 0.000 1.158 28 P CA 0.836 63.889 63.100 -0.078 0.000 0.763 28 P CB 0.293 31.883 31.700 -0.183 0.000 0.805 29 L N -2.322 118.941 121.223 0.066 0.000 2.558 29 L HA 0.180 4.520 4.340 -0.001 0.000 0.225 29 L C 1.357 178.303 176.870 0.126 0.000 1.128 29 L CA -0.156 54.769 54.840 0.142 0.000 0.868 29 L CB -0.405 41.777 42.059 0.205 0.000 1.006 29 L HN 0.086 nan 8.230 nan 0.000 0.454 30 M N 0.923 120.584 119.600 0.101 0.000 2.307 30 M HA 0.174 4.654 4.480 -0.001 0.000 0.346 30 M C 1.015 177.448 176.300 0.222 0.000 1.552 30 M CA 1.172 56.527 55.300 0.091 0.000 1.116 30 M CB 0.184 32.811 32.600 0.044 0.000 1.889 30 M HN 0.279 nan 8.290 nan 0.000 0.460 31 G N 2.237 111.165 108.800 0.213 0.000 2.179 31 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.220 31 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.220 31 G C 0.555 175.596 174.900 0.235 0.000 0.990 31 G CA 0.492 45.773 45.100 0.302 0.000 0.646 31 G HN 0.870 nan 8.290 nan 0.000 0.517 32 S N -0.828 115.018 115.700 0.244 0.000 2.528 32 S HA 0.225 4.694 4.470 -0.001 0.000 0.219 32 S C 1.128 175.928 174.600 0.334 0.000 0.985 32 S CA 1.033 59.446 58.200 0.355 0.000 0.914 32 S CB 0.248 63.775 63.200 0.545 0.000 0.776 32 S HN 0.516 nan 8.310 nan 0.000 0.526 33 Q N 2.006 121.934 119.800 0.212 0.000 3.207 33 Q HA 0.367 4.707 4.340 -0.001 0.000 0.335 33 Q C -1.017 175.076 176.000 0.155 0.000 1.374 33 Q CA -0.292 55.616 55.803 0.174 0.000 1.023 33 Q CB -0.050 28.709 28.738 0.035 0.000 1.576 33 Q HN 0.392 nan 8.270 nan 0.000 0.515 34 S N -0.110 115.713 115.700 0.205 0.000 2.566 34 S HA 0.646 5.115 4.470 -0.001 0.000 0.298 34 S C -0.330 174.370 174.600 0.166 0.000 1.083 34 S CA -0.722 57.597 58.200 0.198 0.000 0.978 34 S CB 1.914 65.271 63.200 0.262 0.000 1.073 34 S HN 0.523 nan 8.310 nan 0.000 0.491 35 T N -1.329 113.276 114.554 0.085 0.000 2.907 35 T HA 0.548 4.898 4.350 -0.001 0.000 0.290 35 T C 0.625 175.299 174.700 -0.043 0.000 1.066 35 T CA -0.784 61.276 62.100 -0.068 0.000 1.012 35 T CB 0.584 69.426 68.868 -0.044 0.000 1.184 35 T HN 0.338 nan 8.240 nan 0.000 0.522 36 F N 1.670 121.385 119.950 -0.392 0.000 2.120 36 F HA -0.088 4.438 4.527 -0.001 0.000 0.300 36 F C 2.050 177.877 175.800 0.044 0.000 1.095 36 F CA 1.987 59.862 58.000 -0.209 0.000 1.249 36 F CB -0.194 38.608 39.000 -0.330 0.000 0.995 36 F HN 0.742 nan 8.300 nan 0.000 0.480 37 E N -0.204 120.084 120.200 0.145 0.000 2.299 37 E HA 0.103 4.452 4.350 -0.001 0.000 0.193 37 E C -0.308 176.327 176.600 0.058 0.000 0.998 37 E CA 0.451 56.905 56.400 0.090 0.000 0.851 37 E CB 0.197 29.969 29.700 0.119 0.000 0.795 37 E HN 0.277 nan 8.360 nan 0.000 0.492 38 L N 0.150 121.405 121.223 0.054 0.000 2.482 38 L HA 0.371 4.711 4.340 -0.001 0.000 0.269 38 L C -1.051 175.866 176.870 0.078 0.000 0.967 38 L CA -0.499 54.383 54.840 0.068 0.000 0.851 38 L CB 2.176 44.262 42.059 0.046 0.000 1.242 38 L HN -0.164 nan 8.230 nan 0.000 0.404 39 S N 1.434 117.199 115.700 0.109 0.000 2.525 39 S HA 0.499 4.969 4.470 -0.001 0.000 0.278 39 S C 0.727 175.402 174.600 0.125 0.000 1.234 39 S CA 0.202 58.472 58.200 0.117 0.000 1.058 39 S CB 0.773 64.044 63.200 0.119 0.000 0.983 39 S HN 0.753 nan 8.310 nan 0.000 0.495 40 T N 1.158 115.793 114.554 0.136 0.000 3.228 40 T HA 0.556 4.905 4.350 -0.001 0.000 0.278 40 T C 1.042 175.882 174.700 0.233 0.000 1.014 40 T CA 0.219 62.407 62.100 0.147 0.000 0.904 40 T CB 0.163 69.095 68.868 0.107 0.000 1.110 40 T HN 1.082 nan 8.240 nan 0.000 0.541 41 G N 1.472 110.376 108.800 0.174 0.000 3.505 41 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.210 41 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.210 41 G C 0.136 175.051 174.900 0.023 0.000 1.047 41 G CA -0.210 44.934 45.100 0.073 0.000 0.884 41 G HN 0.369 nan 8.290 nan 0.000 0.434 42 N N 1.466 120.225 118.700 0.099 0.000 2.727 42 N HA -0.140 4.600 4.740 -0.001 0.000 0.251 42 N C 0.343 175.850 175.510 -0.005 0.000 1.040 42 N CA 1.916 54.992 53.050 0.044 0.000 0.712 42 N CB -1.551 36.929 38.487 -0.010 0.000 0.912 42 N HN 1.366 nan 8.380 nan 0.000 0.545 43 T N -2.614 111.979 114.554 0.065 0.000 2.938 43 T HA 0.799 5.149 4.350 -0.001 0.000 0.285 43 T C -0.062 174.726 174.700 0.146 0.000 1.028 43 T CA -0.758 61.354 62.100 0.021 0.000 1.005 43 T CB 2.149 71.021 68.868 0.007 0.000 1.157 43 T HN 0.238 nan 8.240 nan 0.000 0.550 44 Y N -2.511 117.848 120.300 0.097 0.000 2.634 44 Y HA 0.764 5.313 4.550 -0.001 0.000 0.340 44 Y C -3.143 172.753 175.900 -0.006 0.000 1.058 44 Y CA -3.616 54.529 58.100 0.074 0.000 1.081 44 Y CB 0.188 38.688 38.460 0.066 0.000 1.295 44 Y HN 0.354 nan 8.280 nan 0.000 0.487 45 P HA 0.238 nan 4.420 nan 0.000 0.271 45 P C -0.731 176.578 177.300 0.016 0.000 1.380 45 P CA 0.103 63.149 63.100 -0.089 0.000 0.992 45 P CB 0.130 31.653 31.700 -0.295 0.000 1.230 46 A N 5.880 128.675 122.820 -0.042 0.000 2.544 46 A HA 0.251 4.571 4.320 -0.001 0.000 0.301 46 A C 0.332 177.869 177.584 -0.079 0.000 1.368 46 A CA -0.295 51.688 52.037 -0.090 0.000 1.045 46 A CB -0.676 18.048 19.000 -0.459 0.000 1.129 46 A HN 0.350 nan 8.150 nan 0.000 0.540 47 I N 2.289 122.850 120.570 -0.016 0.000 2.308 47 I HA 0.525 4.695 4.170 -0.001 0.000 0.293 47 I C 0.601 176.774 176.117 0.094 0.000 1.078 47 I CA 0.198 61.503 61.300 0.009 0.000 1.292 47 I CB -0.536 37.466 38.000 0.004 0.000 1.423 47 I HN 0.667 nan 8.210 nan 0.000 0.493 48 A N 7.252 130.150 122.820 0.131 0.000 2.586 48 A HA 0.734 5.054 4.320 -0.001 0.000 0.290 48 A C -0.397 177.440 177.584 0.421 0.000 1.086 48 A CA -0.878 51.287 52.037 0.213 0.000 0.665 48 A CB 1.676 20.617 19.000 -0.099 0.000 1.279 48 A HN 0.449 nan 8.150 nan 0.000 0.423 49 R N -0.100 120.576 120.500 0.294 0.000 2.577 49 R HA 0.442 4.781 4.340 -0.001 0.000 0.269 49 R C -2.627 173.610 176.300 -0.105 0.000 1.084 49 R CA -2.011 54.145 56.100 0.094 0.000 1.163 49 R CB -0.405 29.929 30.300 0.056 0.000 1.100 49 R HN 0.399 nan 8.270 nan 0.000 0.547 50 P HA -0.114 nan 4.420 nan 0.000 0.261 50 P C -0.322 176.839 177.300 -0.232 0.000 1.183 50 P CA 0.493 63.017 63.100 -0.960 0.000 0.761 50 P CB 0.176 31.137 31.700 -1.233 0.000 0.785 51 W N 0.490 121.810 121.300 0.033 0.000 4.551 51 W HA -0.153 4.506 4.660 -0.001 0.000 0.343 51 W C 0.705 177.347 176.519 0.204 0.000 1.269 51 W CA 0.879 58.319 57.345 0.158 0.000 0.799 51 W CB -2.421 27.151 29.460 0.186 0.000 2.352 51 W HN 0.464 nan 8.180 nan 0.000 1.462 52 G N 0.820 109.885 108.800 0.441 0.000 2.484 52 G HA2 0.217 4.177 3.960 -0.001 0.000 0.235 52 G HA3 0.217 4.177 3.960 -0.001 0.000 0.235 52 G C 0.810 175.874 174.900 0.273 0.000 1.282 52 G CA 0.242 45.572 45.100 0.382 0.000 0.857 52 G HN 0.275 nan 8.290 nan 0.000 0.571 53 M N 1.347 121.051 119.600 0.172 0.000 2.254 53 M HA 0.026 4.506 4.480 -0.001 0.000 0.265 53 M C 0.030 176.464 176.300 0.223 0.000 1.066 53 M CA 0.977 56.374 55.300 0.163 0.000 1.123 53 M CB 0.054 32.725 32.600 0.119 0.000 1.388 53 M HN 0.391 nan 8.290 nan 0.000 0.425 54 N N 0.306 119.114 118.700 0.180 0.000 2.354 54 N HA 0.296 5.035 4.740 -0.001 0.000 0.287 54 N C -1.621 173.969 175.510 0.132 0.000 1.016 54 N CA -0.313 52.738 53.050 0.001 0.000 0.871 54 N CB 1.251 39.798 38.487 0.100 0.000 1.299 54 N HN -0.009 nan 8.380 nan 0.000 0.482 55 F N 0.601 120.376 119.950 -0.292 0.000 2.399 55 F HA 0.502 5.028 4.527 -0.001 0.000 0.328 55 F C 0.071 175.650 175.800 -0.368 0.000 1.084 55 F CA -1.218 56.701 58.000 -0.136 0.000 1.053 55 F CB 0.673 39.656 39.000 -0.027 0.000 1.209 55 F HN 0.295 nan 8.300 nan 0.000 0.502 56 W N 0.282 121.649 121.300 0.112 0.000 2.736 56 W HA 0.579 5.239 4.660 -0.001 0.000 0.335 56 W C -0.259 176.234 176.519 -0.043 0.000 1.059 56 W CA -0.574 56.767 57.345 -0.007 0.000 1.226 56 W CB 2.151 31.596 29.460 -0.025 0.000 1.416 56 W HN 0.413 nan 8.180 nan 0.000 0.505 57 T N 3.741 118.362 114.554 0.111 0.000 2.923 57 T HA 0.484 4.834 4.350 -0.001 0.000 0.311 57 T C -2.843 171.793 174.700 -0.106 0.000 1.183 57 T CA -2.183 59.879 62.100 -0.064 0.000 1.020 57 T CB 1.449 70.274 68.868 -0.072 0.000 1.165 57 T HN 0.078 nan 8.240 nan 0.000 0.482 58 P HA 0.147 nan 4.420 nan 0.000 0.268 58 P C -1.165 176.061 177.300 -0.123 0.000 1.205 58 P CA -0.104 62.808 63.100 -0.313 0.000 0.771 58 P CB 0.463 31.963 31.700 -0.332 0.000 0.858 59 Q N 1.440 121.106 119.800 -0.222 0.000 2.348 59 Q HA 0.288 4.628 4.340 -0.001 0.000 0.265 59 Q C 0.631 176.551 176.000 -0.133 0.000 0.998 59 Q CA -0.393 55.345 55.803 -0.109 0.000 0.831 59 Q CB 1.026 29.700 28.738 -0.107 0.000 1.251 59 Q HN 0.520 nan 8.270 nan 0.000 0.456 60 T N -0.162 114.349 114.554 -0.072 0.000 3.034 60 T HA 0.247 4.597 4.350 -0.001 0.000 0.248 60 T C 0.936 175.579 174.700 -0.096 0.000 1.040 60 T CA 0.401 62.425 62.100 -0.127 0.000 1.107 60 T CB 0.109 68.861 68.868 -0.194 0.000 0.932 60 T HN 0.530 nan 8.240 nan 0.000 0.474 61 G N 1.521 110.293 108.800 -0.046 0.000 2.569 61 G HA2 0.427 4.387 3.960 -0.001 0.000 0.249 61 G HA3 0.427 4.387 3.960 -0.001 0.000 0.249 61 G C -0.567 174.299 174.900 -0.056 0.000 1.216 61 G CA -0.765 44.319 45.100 -0.028 0.000 0.845 61 G HN 0.462 nan 8.290 nan 0.000 0.568 62 K N 0.476 120.840 120.400 -0.060 0.000 2.258 62 K HA 0.127 4.447 4.320 -0.001 0.000 0.264 62 K C 0.821 177.363 176.600 -0.097 0.000 1.007 62 K CA -0.392 55.842 56.287 -0.089 0.000 0.941 62 K CB 1.008 33.459 32.500 -0.082 0.000 0.966 62 K HN 0.554 nan 8.250 nan 0.000 0.480 63 M N 1.742 121.234 119.600 -0.181 0.000 2.323 63 M HA -0.144 4.336 4.480 -0.001 0.000 0.386 63 M C 0.695 176.918 176.300 -0.128 0.000 1.525 63 M CA 2.021 57.154 55.300 -0.277 0.000 0.914 63 M CB -0.394 31.856 32.600 -0.582 0.000 2.042 63 M HN 0.997 nan 8.290 nan 0.000 0.483 64 G N 3.130 111.916 108.800 -0.023 0.000 2.232 64 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.226 64 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.226 64 G C -0.197 174.722 174.900 0.032 0.000 0.996 64 G CA 0.146 45.260 45.100 0.022 0.000 0.626 64 G HN 0.792 nan 8.290 nan 0.000 0.509 65 D N 1.307 121.725 120.400 0.029 0.000 2.343 65 D HA 0.465 5.105 4.640 -0.001 0.000 0.255 65 D C 1.733 178.075 176.300 0.070 0.000 1.187 65 D CA 0.684 54.729 54.000 0.076 0.000 0.875 65 D CB 0.746 41.593 40.800 0.078 0.000 1.136 65 D HN 0.228 nan 8.370 nan 0.000 0.469 66 G N 3.893 112.727 108.800 0.056 0.000 2.475 66 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.220 66 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.220 66 G C 0.708 175.436 174.900 -0.286 0.000 1.125 66 G CA -0.010 44.972 45.100 -0.196 0.000 0.755 66 G HN 0.597 nan 8.290 nan 0.000 0.565 67 W N 2.277 123.514 121.300 -0.105 0.000 1.864 67 W HA 0.225 4.884 4.660 -0.001 0.000 0.425 67 W C 1.445 177.946 176.519 -0.030 0.000 0.791 67 W CA -0.351 56.958 57.345 -0.059 0.000 1.650 67 W CB -0.088 29.331 29.460 -0.068 0.000 1.791 67 W HN 0.548 nan 8.180 nan 0.000 0.266 68 Q N 1.193 121.036 119.800 0.071 0.000 2.311 68 Q HA -0.134 4.206 4.340 -0.001 0.000 0.203 68 Q C -0.018 176.054 176.000 0.119 0.000 0.954 68 Q CA 1.076 56.898 55.803 0.032 0.000 0.885 68 Q CB 0.174 28.851 28.738 -0.101 0.000 0.963 68 Q HN 0.395 nan 8.270 nan 0.000 0.471 69 Y N 1.377 121.717 120.300 0.067 0.000 2.386 69 Y HA 0.378 4.928 4.550 -0.001 0.000 0.334 69 Y C -1.357 174.668 175.900 0.209 0.000 1.002 69 Y CA -0.638 57.533 58.100 0.117 0.000 1.068 69 Y CB 2.148 40.685 38.460 0.128 0.000 1.203 69 Y HN 0.084 nan 8.280 nan 0.000 0.443 70 T N 2.022 116.492 114.554 -0.138 0.000 2.861 70 T HA 0.175 4.525 4.350 -0.001 0.000 0.287 70 T C 0.127 174.789 174.700 -0.063 0.000 1.003 70 T CA -0.580 61.549 62.100 0.047 0.000 0.977 70 T CB 1.123 70.045 68.868 0.089 0.000 0.996 70 T HN 0.756 nan 8.240 nan 0.000 0.448 71 Y N 3.136 123.478 120.300 0.070 0.000 2.315 71 Y HA -0.110 4.440 4.550 -0.001 0.000 0.288 71 Y C 2.398 178.403 175.900 0.176 0.000 1.154 71 Y CA 2.176 60.364 58.100 0.147 0.000 1.229 71 Y CB -0.116 38.402 38.460 0.098 0.000 0.980 71 Y HN 0.860 nan 8.280 nan 0.000 0.540 72 T N -1.620 113.004 114.554 0.117 0.000 3.144 72 T HA 0.453 4.802 4.350 -0.001 0.000 0.249 72 T C 0.641 175.270 174.700 -0.118 0.000 1.089 72 T CA 0.137 62.251 62.100 0.023 0.000 0.989 72 T CB -0.394 68.510 68.868 0.060 0.000 0.992 72 T HN 0.327 nan 8.240 nan 0.000 0.540 73 A N 1.734 124.453 122.820 -0.168 0.000 2.371 73 A HA 0.494 4.814 4.320 -0.001 0.000 0.257 73 A C 1.077 178.443 177.584 -0.364 0.000 1.089 73 A CA -0.695 51.205 52.037 -0.228 0.000 0.794 73 A CB 0.303 19.185 19.000 -0.196 0.000 1.029 73 A HN 0.237 nan 8.150 nan 0.000 0.488 74 N N 0.339 118.743 118.700 -0.493 0.000 2.405 74 N HA 0.048 4.788 4.740 -0.001 0.000 0.175 74 N C -0.268 174.852 175.510 -0.649 0.000 1.051 74 N CA 0.912 53.444 53.050 -0.863 0.000 0.899 74 N CB 0.224 37.813 38.487 -1.497 0.000 1.000 74 N HN 0.626 nan 8.380 nan 0.000 0.451 75 K N 0.488 120.693 120.400 -0.324 0.000 2.371 75 K HA 0.480 4.800 4.320 -0.001 0.000 0.251 75 K C -0.731 175.828 176.600 -0.067 0.000 0.934 75 K CA -0.535 55.657 56.287 -0.160 0.000 0.798 75 K CB 2.665 34.988 32.500 -0.295 0.000 1.204 75 K HN -0.153 nan 8.250 nan 0.000 0.427 76 I N 3.161 123.658 120.570 -0.121 0.000 2.359 76 I HA 0.255 4.425 4.170 -0.001 0.000 0.294 76 I C 1.341 177.323 176.117 -0.225 0.000 0.987 76 I CA -0.355 60.770 61.300 -0.292 0.000 1.225 76 I CB 1.154 38.845 38.000 -0.515 0.000 1.366 76 I HN 0.658 nan 8.210 nan 0.000 0.466 77 R N 4.385 124.747 120.500 -0.229 0.000 2.476 77 R HA 0.506 4.845 4.340 -0.001 0.000 0.276 77 R C 0.144 176.338 176.300 -0.177 0.000 0.941 77 R CA -0.149 55.849 56.100 -0.168 0.000 1.088 77 R CB 0.897 31.108 30.300 -0.148 0.000 1.216 77 R HN 0.734 nan 8.270 nan 0.000 0.533 78 G N 0.576 109.205 108.800 -0.285 0.000 2.338 78 G HA2 0.374 4.334 3.960 -0.001 0.000 0.295 78 G HA3 0.374 4.334 3.960 -0.001 0.000 0.295 78 G C -1.923 172.710 174.900 -0.446 0.000 1.461 78 G CA -0.937 44.032 45.100 -0.218 0.000 0.817 78 G HN 0.038 nan 8.290 nan 0.000 0.556 79 F N 1.023 121.030 119.950 0.093 0.000 2.402 79 F HA 0.618 5.144 4.527 -0.001 0.000 0.355 79 F C 0.547 176.487 175.800 0.233 0.000 1.123 79 F CA -0.691 57.433 58.000 0.207 0.000 1.021 79 F CB 2.316 41.566 39.000 0.417 0.000 1.160 79 F HN 0.389 nan 8.300 nan 0.000 0.451 80 K N 2.953 123.468 120.400 0.193 0.000 2.164 80 K HA 0.323 4.642 4.320 -0.001 0.000 0.258 80 K C -0.710 175.521 176.600 -0.615 0.000 0.951 80 K CA -0.700 55.474 56.287 -0.188 0.000 0.844 80 K CB 1.427 33.802 32.500 -0.209 0.000 1.099 80 K HN 0.683 nan 8.250 nan 0.000 0.435 81 Q N 2.688 121.636 119.800 -1.420 0.000 2.294 81 Q HA 0.126 4.466 4.340 -0.001 0.000 0.257 81 Q C -1.199 174.166 176.000 -1.057 0.000 0.955 81 Q CA 0.031 54.709 55.803 -1.875 0.000 0.936 81 Q CB 1.388 28.836 28.738 -2.149 0.000 1.188 81 Q HN 0.659 nan 8.270 nan 0.000 0.420 82 T N 2.207 116.231 114.554 -0.883 0.000 2.916 82 T HA 0.419 4.769 4.350 -0.001 0.000 0.292 82 T C -0.632 173.597 174.700 -0.785 0.000 1.055 82 T CA -0.405 61.313 62.100 -0.636 0.000 1.009 82 T CB 0.943 69.527 68.868 -0.473 0.000 1.118 82 T HN 0.787 nan 8.240 nan 0.000 0.497 83 H N 0.380 119.245 119.070 -0.342 0.000 3.233 83 H HA 0.367 4.923 4.556 -0.001 0.000 0.263 83 H C 0.564 175.868 175.328 -0.040 0.000 1.168 83 H CA -0.380 55.462 56.048 -0.342 0.000 1.159 83 H CB 0.523 29.832 29.762 -0.756 0.000 1.593 83 H HN 0.447 nan 8.280 nan 0.000 0.580 84 Q N 3.702 123.557 119.800 0.092 0.000 2.262 84 Q HA -0.017 4.323 4.340 -0.001 0.000 0.298 84 Q C -1.532 174.721 176.000 0.421 0.000 1.083 84 Q CA -1.068 54.854 55.803 0.198 0.000 0.962 84 Q CB 0.960 29.727 28.738 0.049 0.000 1.104 84 Q HN 0.248 nan 8.270 nan 0.000 0.376 85 P HA 0.049 nan 4.420 nan 0.000 0.234 85 P C -0.324 176.972 177.300 -0.007 0.000 1.175 85 P CA 0.319 63.439 63.100 0.034 0.000 0.801 85 P CB 0.709 32.515 31.700 0.178 0.000 0.891 86 S N -0.610 115.110 115.700 0.034 0.000 2.558 86 S HA 0.371 4.840 4.470 -0.001 0.000 0.277 86 S C -2.451 172.009 174.600 -0.234 0.000 1.143 86 S CA -1.217 56.957 58.200 -0.044 0.000 0.865 86 S CB 1.365 64.614 63.200 0.081 0.000 1.102 86 S HN -0.271 nan 8.310 nan 0.000 0.454 87 P HA -0.044 nan 4.420 nan 0.000 0.218 87 P C 0.881 177.723 177.300 -0.762 0.000 1.148 87 P CA 1.278 63.775 63.100 -1.005 0.000 0.822 87 P CB -0.147 30.238 31.700 -2.191 0.000 0.784 88 W N -0.170 120.963 121.300 -0.279 0.000 2.388 88 W HA -0.032 4.627 4.660 -0.001 0.000 0.294 88 W C 2.361 178.781 176.519 -0.166 0.000 1.212 88 W CA -0.018 57.239 57.345 -0.147 0.000 1.271 88 W CB -0.923 28.480 29.460 -0.095 0.000 1.126 88 W HN -0.175 nan 8.180 nan 0.000 0.535 89 I N -0.289 120.262 120.570 -0.032 0.000 2.406 89 I HA -0.117 4.053 4.170 -0.001 0.000 0.249 89 I C 1.181 177.248 176.117 -0.083 0.000 1.122 89 I CA 1.124 62.328 61.300 -0.160 0.000 1.431 89 I CB -1.482 36.323 38.000 -0.325 0.000 1.087 89 I HN 0.169 nan 8.210 nan 0.000 0.424 90 N N 0.905 119.558 118.700 -0.078 0.000 6.874 90 N HA -0.192 4.548 4.740 -0.001 0.000 0.421 90 N C -0.467 175.061 175.510 0.030 0.000 0.945 90 N CA 0.794 53.818 53.050 -0.043 0.000 1.414 90 N CB -0.360 38.115 38.487 -0.019 0.000 0.811 90 N HN 0.160 nan 8.380 nan 0.000 0.316 91 D N -0.714 119.715 120.400 0.048 0.000 2.384 91 D HA 0.731 5.371 4.640 -0.001 0.000 0.250 91 D C -0.687 175.722 176.300 0.181 0.000 1.029 91 D CA 0.138 54.179 54.000 0.068 0.000 0.990 91 D CB 0.799 41.590 40.800 -0.014 0.000 1.175 91 D HN 0.428 nan 8.370 nan 0.000 0.532 92 Y N -3.050 117.319 120.300 0.115 0.000 2.656 92 Y HA 0.477 5.027 4.550 -0.001 0.000 0.334 92 Y C 0.193 176.314 175.900 0.368 0.000 1.179 92 Y CA -1.075 57.113 58.100 0.146 0.000 1.050 92 Y CB 0.845 39.265 38.460 -0.066 0.000 1.308 92 Y HN 0.515 nan 8.280 nan 0.000 0.456 93 G N 2.153 111.327 108.800 0.623 0.000 2.359 93 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.298 93 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.298 93 G C -0.803 174.240 174.900 0.239 0.000 1.030 93 G CA 0.388 45.807 45.100 0.532 0.000 1.149 93 G HN 1.009 nan 8.290 nan 0.000 0.512 94 Q N -0.755 119.065 119.800 0.032 0.000 2.321 94 Q HA 0.829 5.169 4.340 -0.001 0.000 0.270 94 Q C -0.357 175.244 176.000 -0.664 0.000 1.032 94 Q CA -1.258 54.307 55.803 -0.396 0.000 0.784 94 Q CB 2.021 30.474 28.738 -0.474 0.000 1.264 94 Q HN 0.983 nan 8.270 nan 0.000 0.448 95 F N -0.840 118.605 119.950 -0.841 0.000 2.685 95 F HA 0.853 5.380 4.527 -0.001 0.000 0.315 95 F C -1.175 174.356 175.800 -0.448 0.000 1.126 95 F CA -0.867 56.672 58.000 -0.768 0.000 0.950 95 F CB 1.463 40.137 39.000 -0.543 0.000 1.360 95 F HN 0.684 nan 8.300 nan 0.000 0.469 96 S N 1.277 116.955 115.700 -0.037 0.000 2.627 96 S HA 0.841 5.310 4.470 -0.001 0.000 0.283 96 S C -1.589 173.114 174.600 0.171 0.000 1.127 96 S CA -0.754 57.467 58.200 0.035 0.000 0.863 96 S CB 2.047 65.350 63.200 0.172 0.000 1.121 96 S HN 1.139 nan 8.310 nan 0.000 0.479 97 I N 1.128 121.788 120.570 0.150 0.000 2.647 97 I HA 0.746 4.915 4.170 -0.001 0.000 0.295 97 I C -1.926 174.275 176.117 0.139 0.000 1.078 97 I CA -1.144 60.218 61.300 0.102 0.000 1.048 97 I CB 2.113 40.077 38.000 -0.060 0.000 1.239 97 I HN 0.891 nan 8.210 nan 0.000 0.421 98 M N 10.632 130.262 119.600 0.050 0.000 2.206 98 M HA 0.531 5.011 4.480 -0.001 0.000 0.272 98 M C -2.921 173.295 176.300 -0.141 0.000 1.012 98 M CA -1.763 53.561 55.300 0.040 0.000 0.986 98 M CB 2.204 34.801 32.600 -0.004 0.000 1.740 98 M HN 0.133 nan 8.290 nan 0.000 0.472 99 P HA 0.572 nan 4.420 nan 0.000 0.282 99 P C -1.045 176.049 177.300 -0.343 0.000 1.249 99 P CA -0.264 62.584 63.100 -0.419 0.000 0.806 99 P CB 0.893 32.083 31.700 -0.850 0.000 0.984 100 I N -1.244 119.161 120.570 -0.276 0.000 3.352 100 I HA 0.748 4.918 4.170 -0.001 0.000 0.316 100 I C -1.574 174.467 176.117 -0.127 0.000 1.214 100 I CA -1.397 59.518 61.300 -0.643 0.000 0.934 100 I CB 2.134 39.808 38.000 -0.544 0.000 1.310 100 I HN 0.063 nan 8.210 nan 0.000 0.475 101 V N 0.689 120.560 119.914 -0.072 0.000 3.012 101 V HA 0.840 4.960 4.120 -0.001 0.000 0.307 101 V C 0.482 176.709 176.094 0.222 0.000 1.166 101 V CA 0.680 63.088 62.300 0.180 0.000 0.974 101 V CB 1.330 33.291 31.823 0.229 0.000 1.040 101 V HN 1.468 nan 8.190 nan 0.000 0.428 102 G N 3.415 112.361 108.800 0.243 0.000 2.848 102 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.246 102 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.246 102 G C -0.475 174.507 174.900 0.138 0.000 1.374 102 G CA -0.190 45.020 45.100 0.183 0.000 0.982 102 G HN 0.673 nan 8.290 nan 0.000 0.563 103 Q N 2.625 122.432 119.800 0.011 0.000 2.314 103 Q HA 0.420 4.760 4.340 -0.001 0.000 0.258 103 Q C -2.130 173.682 176.000 -0.313 0.000 0.954 103 Q CA -1.453 54.269 55.803 -0.134 0.000 0.890 103 Q CB 1.092 29.765 28.738 -0.108 0.000 1.210 103 Q HN 0.490 nan 8.270 nan 0.000 0.410 104 P HA 0.057 nan 4.420 nan 0.000 0.277 104 P C -0.627 176.425 177.300 -0.413 0.000 1.354 104 P CA -0.094 62.418 63.100 -0.979 0.000 0.891 104 P CB 0.253 31.142 31.700 -1.352 0.000 1.058 105 V N 1.595 121.352 119.914 -0.262 0.000 2.656 105 V HA 0.459 4.578 4.120 -0.001 0.000 0.307 105 V C 0.127 176.197 176.094 -0.039 0.000 1.051 105 V CA -0.696 61.538 62.300 -0.110 0.000 0.893 105 V CB 1.781 33.557 31.823 -0.078 0.000 0.999 105 V HN 0.303 nan 8.190 nan 0.000 0.426 106 F N 2.474 122.346 119.950 -0.130 0.000 2.505 106 F HA 0.301 4.828 4.527 -0.001 0.000 0.289 106 F C 1.302 177.044 175.800 -0.097 0.000 1.101 106 F CA 0.382 58.313 58.000 -0.114 0.000 1.446 106 F CB 0.239 39.161 39.000 -0.130 0.000 1.123 106 F HN 0.834 nan 8.300 nan 0.000 0.564 107 D N 2.188 122.569 120.400 -0.031 0.000 2.629 107 D HA -0.176 4.464 4.640 -0.001 0.000 0.228 107 D C 0.999 177.175 176.300 -0.207 0.000 1.127 107 D CA 0.807 54.748 54.000 -0.099 0.000 0.855 107 D CB 0.878 41.657 40.800 -0.035 0.000 1.180 107 D HN 0.700 nan 8.370 nan 0.000 0.484 108 E N 2.135 122.204 120.200 -0.218 0.000 2.427 108 E HA -0.114 4.236 4.350 -0.001 0.000 0.196 108 E C 0.844 177.359 176.600 -0.141 0.000 1.028 108 E CA 0.761 57.031 56.400 -0.217 0.000 0.864 108 E CB 0.085 29.656 29.700 -0.214 0.000 0.813 108 E HN 0.585 nan 8.360 nan 0.000 0.514 109 E N 1.238 121.375 120.200 -0.105 0.000 2.162 109 E HA 0.030 4.380 4.350 -0.001 0.000 0.193 109 E C 1.824 178.389 176.600 -0.058 0.000 0.953 109 E CA 0.120 56.472 56.400 -0.081 0.000 0.849 109 E CB 0.096 29.755 29.700 -0.067 0.000 0.810 109 E HN 0.146 nan 8.360 nan 0.000 0.470 110 K N 1.336 121.706 120.400 -0.049 0.000 2.147 110 K HA -0.135 4.184 4.320 -0.001 0.000 0.205 110 K C 2.259 178.860 176.600 0.001 0.000 1.049 110 K CA 1.213 57.485 56.287 -0.025 0.000 0.936 110 K CB -0.127 32.357 32.500 -0.027 0.000 0.722 110 K HN 0.092 nan 8.250 nan 0.000 0.446 111 R N 0.617 121.104 120.500 -0.021 0.000 2.276 111 R HA 0.188 4.527 4.340 -0.001 0.000 0.196 111 R C 0.553 176.925 176.300 0.120 0.000 0.961 111 R CA 0.198 56.321 56.100 0.037 0.000 1.024 111 R CB 0.022 30.282 30.300 -0.068 0.000 0.940 111 R HN -0.084 nan 8.270 nan 0.000 0.480 112 A N 1.453 124.282 122.820 0.014 0.000 2.445 112 A HA 0.292 4.611 4.320 -0.001 0.000 0.242 112 A C -0.255 177.312 177.584 -0.029 0.000 1.075 112 A CA -0.034 51.990 52.037 -0.021 0.000 0.777 112 A CB 0.793 19.743 19.000 -0.084 0.000 1.013 112 A HN 0.359 nan 8.150 nan 0.000 0.493 113 S N 0.585 116.261 115.700 -0.040 0.000 2.513 113 S HA 0.519 4.989 4.470 -0.001 0.000 0.299 113 S C -0.783 173.849 174.600 0.054 0.000 1.087 113 S CA -0.550 57.614 58.200 -0.059 0.000 1.012 113 S CB 0.307 63.455 63.200 -0.087 0.000 1.044 113 S HN 0.571 nan 8.310 nan 0.000 0.485 114 W N 4.135 125.411 121.300 -0.040 0.000 2.187 114 W HA 0.362 5.021 4.660 -0.001 0.000 0.348 114 W C 0.161 176.770 176.519 0.149 0.000 1.282 114 W CA 0.597 57.955 57.345 0.021 0.000 1.271 114 W CB 0.348 29.784 29.460 -0.041 0.000 1.170 114 W HN 0.586 nan 8.180 nan 0.000 0.583 115 F N 0.544 120.598 119.950 0.175 0.000 2.779 115 F HA 0.852 5.379 4.527 -0.001 0.000 0.316 115 F C -1.279 174.569 175.800 0.081 0.000 1.164 115 F CA -1.930 56.142 58.000 0.119 0.000 0.924 115 F CB 0.539 39.560 39.000 0.036 0.000 1.348 115 F HN 0.443 nan 8.300 nan 0.000 0.467 116 A N 0.250 122.939 122.820 -0.218 0.000 2.498 116 A HA 0.564 4.884 4.320 -0.001 0.000 0.298 116 A C -0.097 177.361 177.584 -0.211 0.000 1.075 116 A CA -0.699 51.072 52.037 -0.443 0.000 0.714 116 A CB 0.675 19.610 19.000 -0.108 0.000 1.299 116 A HN 0.985 nan 8.150 nan 0.000 0.407 117 H N 0.958 119.958 119.070 -0.117 0.000 2.421 117 H HA -0.068 4.488 4.556 -0.001 0.000 0.298 117 H C 0.936 176.341 175.328 0.128 0.000 1.087 117 H CA 1.854 57.953 56.048 0.085 0.000 1.330 117 H CB 0.170 29.956 29.762 0.040 0.000 1.388 117 H HN 0.675 nan 8.280 nan 0.000 0.526 118 K N 0.300 120.808 120.400 0.180 0.000 2.574 118 K HA -0.024 4.296 4.320 -0.001 0.000 0.193 118 K C 1.607 178.277 176.600 0.116 0.000 1.035 118 K CA 0.652 57.018 56.287 0.132 0.000 0.982 118 K CB 0.225 32.780 32.500 0.091 0.000 0.795 118 K HN 0.207 nan 8.250 nan 0.000 0.491 119 G N 0.840 109.732 108.800 0.153 0.000 3.453 119 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.263 119 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.263 119 G C -0.404 174.612 174.900 0.193 0.000 1.060 119 G CA -0.227 44.977 45.100 0.174 0.000 0.793 119 G HN 0.159 nan 8.290 nan 0.000 0.532 120 E N 0.346 120.653 120.200 0.178 0.000 2.266 120 E HA 0.556 4.906 4.350 -0.001 0.000 0.268 120 E C -1.694 174.912 176.600 0.009 0.000 0.879 120 E CA -0.562 55.897 56.400 0.099 0.000 0.762 120 E CB 2.744 32.626 29.700 0.302 0.000 1.199 120 E HN -0.119 nan 8.360 nan 0.000 0.422 121 V N 2.556 122.358 119.914 -0.187 0.000 2.482 121 V HA 0.609 4.729 4.120 -0.001 0.000 0.295 121 V C -0.671 175.261 176.094 -0.270 0.000 1.026 121 V CA -0.609 61.613 62.300 -0.131 0.000 0.856 121 V CB 1.292 33.093 31.823 -0.036 0.000 1.001 121 V HN 0.741 nan 8.190 nan 0.000 0.424 122 A N 3.787 126.545 122.820 -0.103 0.000 2.291 122 A HA 0.895 5.214 4.320 -0.001 0.000 0.311 122 A C 0.087 177.594 177.584 -0.128 0.000 1.224 122 A CA -0.265 51.757 52.037 -0.025 0.000 0.821 122 A CB 1.145 20.240 19.000 0.158 0.000 1.172 122 A HN 0.930 nan 8.150 nan 0.000 0.494 123 T N -0.114 114.295 114.554 -0.242 0.000 2.901 123 T HA 0.674 5.023 4.350 -0.001 0.000 0.293 123 T C -2.469 171.920 174.700 -0.518 0.000 1.084 123 T CA -1.833 59.990 62.100 -0.461 0.000 1.008 123 T CB 1.780 70.177 68.868 -0.784 0.000 1.170 123 T HN 0.101 nan 8.240 nan 0.000 0.509 124 P HA -0.064 nan 4.420 nan 0.000 0.217 124 P C 0.881 178.076 177.300 -0.174 0.000 1.148 124 P CA 1.262 63.994 63.100 -0.613 0.000 0.828 124 P CB -0.291 30.609 31.700 -1.334 0.000 0.783 125 Y N -4.445 115.830 120.300 -0.041 0.000 2.458 125 Y HA 0.450 5.000 4.550 -0.001 0.000 0.256 125 Y C 0.210 176.205 175.900 0.158 0.000 1.159 125 Y CA -1.065 57.117 58.100 0.136 0.000 1.261 125 Y CB -0.249 38.320 38.460 0.182 0.000 1.119 125 Y HN -0.147 nan 8.280 nan 0.000 0.524 126 Y N 0.554 120.587 120.300 -0.444 0.000 2.436 126 Y HA 0.473 5.023 4.550 -0.001 0.000 0.327 126 Y C -2.409 173.371 175.900 -0.201 0.000 1.138 126 Y CA -2.312 55.619 58.100 -0.282 0.000 1.042 126 Y CB 1.105 39.382 38.460 -0.304 0.000 1.302 126 Y HN 0.052 nan 8.280 nan 0.000 0.439 127 Y N 6.345 126.140 120.300 -0.841 0.000 2.406 127 Y HA 0.623 5.173 4.550 -0.001 0.000 0.340 127 Y C -1.493 173.960 175.900 -0.744 0.000 0.975 127 Y CA -0.829 56.894 58.100 -0.628 0.000 1.056 127 Y CB 1.466 39.742 38.460 -0.306 0.000 1.210 127 Y HN 0.691 nan 8.280 nan 0.000 0.448 128 K N 5.322 125.054 120.400 -1.114 0.000 2.464 128 K HA 0.819 5.138 4.320 -0.001 0.000 0.253 128 K C -2.383 173.895 176.600 -0.535 0.000 0.933 128 K CA -0.873 55.025 56.287 -0.649 0.000 0.801 128 K CB 2.317 34.592 32.500 -0.375 0.000 1.271 128 K HN 0.558 nan 8.250 nan 0.000 0.430 129 V N 4.063 123.889 119.914 -0.146 0.000 3.077 129 V HA 0.375 4.494 4.120 -0.001 0.000 0.299 129 V C -2.131 174.085 176.094 0.204 0.000 1.276 129 V CA -0.736 61.595 62.300 0.052 0.000 0.993 129 V CB 1.823 33.735 31.823 0.149 0.000 1.076 129 V HN 0.809 nan 8.190 nan 0.000 0.434 130 Y N 6.221 126.599 120.300 0.130 0.000 2.367 130 Y HA 0.631 5.181 4.550 -0.001 0.000 0.342 130 Y C -0.284 175.734 175.900 0.195 0.000 0.979 130 Y CA -0.643 57.542 58.100 0.141 0.000 1.161 130 Y CB 1.140 39.667 38.460 0.112 0.000 1.155 130 Y HN 0.603 nan 8.280 nan 0.000 0.503 131 L N 7.756 128.797 121.223 -0.303 0.000 2.312 131 L HA 0.323 4.663 4.340 -0.001 0.000 0.287 131 L C 1.217 177.790 176.870 -0.495 0.000 1.091 131 L CA -0.109 54.611 54.840 -0.200 0.000 0.846 131 L CB 0.720 42.784 42.059 0.009 0.000 1.219 131 L HN 0.912 nan 8.230 nan 0.000 0.439 132 A N 2.573 125.234 122.820 -0.266 0.000 2.015 132 A HA -0.102 4.218 4.320 -0.001 0.000 0.219 132 A C 1.913 179.428 177.584 -0.114 0.000 1.163 132 A CA 1.103 53.037 52.037 -0.172 0.000 0.646 132 A CB -0.131 18.954 19.000 0.142 0.000 0.806 132 A HN 0.805 nan 8.150 nan 0.000 0.448 133 E N -1.266 118.841 120.200 -0.155 0.000 2.435 133 E HA -0.045 4.304 4.350 -0.001 0.000 0.195 133 E C 0.881 177.302 176.600 -0.298 0.000 1.029 133 E CA 0.413 56.681 56.400 -0.220 0.000 0.865 133 E CB 0.024 29.573 29.700 -0.252 0.000 0.833 133 E HN 0.701 nan 8.360 nan 0.000 0.510 134 H N -0.431 118.610 119.070 -0.048 0.000 2.874 134 H HA 0.043 4.599 4.556 -0.001 0.000 0.264 134 H C 0.120 175.429 175.328 -0.033 0.000 1.007 134 H CA 0.381 56.415 56.048 -0.023 0.000 1.207 134 H CB 0.623 30.368 29.762 -0.028 0.000 1.487 134 H HN 0.058 nan 8.280 nan 0.000 0.505 135 D N 0.811 121.186 120.400 -0.042 0.000 2.746 135 D HA -0.174 4.466 4.640 -0.001 0.000 0.236 135 D C -0.667 175.659 176.300 0.043 0.000 1.129 135 D CA 0.299 54.311 54.000 0.020 0.000 0.691 135 D CB -1.638 39.266 40.800 0.174 0.000 1.077 135 D HN 0.396 nan 8.370 nan 0.000 0.432 136 I N -0.192 120.300 120.570 -0.129 0.000 2.509 136 I HA 0.392 4.561 4.170 -0.001 0.000 0.293 136 I C 0.272 176.377 176.117 -0.020 0.000 1.020 136 I CA -1.256 59.994 61.300 -0.083 0.000 1.088 136 I CB 2.174 40.054 38.000 -0.199 0.000 1.267 136 I HN -0.225 nan 8.210 nan 0.000 0.430 137 V N 4.502 124.472 119.914 0.094 0.000 2.394 137 V HA 0.383 4.503 4.120 -0.001 0.000 0.282 137 V C 0.042 176.190 176.094 0.091 0.000 1.031 137 V CA -0.258 62.135 62.300 0.155 0.000 0.881 137 V CB 1.692 33.625 31.823 0.183 0.000 0.982 137 V HN 0.728 nan 8.190 nan 0.000 0.451 138 T N 5.409 120.010 114.554 0.078 0.000 2.797 138 T HA 0.547 4.897 4.350 -0.001 0.000 0.279 138 T C -0.567 174.036 174.700 -0.161 0.000 0.991 138 T CA -0.564 61.526 62.100 -0.016 0.000 0.979 138 T CB 0.991 69.758 68.868 -0.167 0.000 0.943 138 T HN 0.777 nan 8.240 nan 0.000 0.444 139 E N 3.282 123.323 120.200 -0.265 0.000 2.266 139 E HA 0.664 5.014 4.350 -0.001 0.000 0.268 139 E C -0.592 175.688 176.600 -0.533 0.000 0.879 139 E CA -0.950 55.229 56.400 -0.369 0.000 0.762 139 E CB 2.345 31.915 29.700 -0.217 0.000 1.199 139 E HN 0.611 nan 8.360 nan 0.000 0.422 140 M N -0.263 118.966 119.600 -0.619 0.000 2.386 140 M HA 0.617 5.096 4.480 -0.001 0.000 0.293 140 M C -1.123 174.892 176.300 -0.476 0.000 1.120 140 M CA -0.781 54.025 55.300 -0.823 0.000 0.909 140 M CB 2.191 33.994 32.600 -1.328 0.000 1.661 140 M HN 0.422 nan 8.290 nan 0.000 0.452 141 T N 0.485 114.814 114.554 -0.375 0.000 2.881 141 T HA 0.801 5.151 4.350 -0.001 0.000 0.291 141 T C -3.130 171.475 174.700 -0.160 0.000 0.990 141 T CA -1.361 60.661 62.100 -0.129 0.000 0.976 141 T CB 1.939 70.819 68.868 0.020 0.000 0.970 141 T HN 0.605 nan 8.240 nan 0.000 0.438 142 P HA 0.550 nan 4.420 nan 0.000 0.287 142 P C -0.231 177.123 177.300 0.090 0.000 1.292 142 P CA -0.410 62.684 63.100 -0.009 0.000 0.879 142 P CB 1.997 33.759 31.700 0.103 0.000 1.214 143 T N -3.305 111.314 114.554 0.109 0.000 2.735 143 T HA 0.338 4.688 4.350 -0.001 0.000 0.262 143 T C 1.189 175.989 174.700 0.166 0.000 0.955 143 T CA -0.372 61.801 62.100 0.121 0.000 1.022 143 T CB 0.302 69.226 68.868 0.093 0.000 1.455 143 T HN 0.298 nan 8.240 nan 0.000 0.583 144 E N 0.165 120.450 120.200 0.142 0.000 2.072 144 E HA -0.040 4.310 4.350 -0.001 0.000 0.191 144 E C 2.016 178.723 176.600 0.179 0.000 0.985 144 E CA 0.966 57.459 56.400 0.154 0.000 0.801 144 E CB 0.021 29.781 29.700 0.101 0.000 0.750 144 E HN 0.444 nan 8.360 nan 0.000 0.452 145 R N -1.207 119.392 120.500 0.165 0.000 2.487 145 R HA 0.325 4.665 4.340 -0.001 0.000 0.272 145 R C -0.134 176.311 176.300 0.243 0.000 0.928 145 R CA -0.038 56.175 56.100 0.187 0.000 1.077 145 R CB 1.554 31.928 30.300 0.124 0.000 1.265 145 R HN -0.053 nan 8.270 nan 0.000 0.537 146 A N 0.329 123.278 122.820 0.215 0.000 2.437 146 A HA 0.816 5.136 4.320 -0.001 0.000 0.292 146 A C -1.331 176.317 177.584 0.107 0.000 1.173 146 A CA -0.639 51.514 52.037 0.193 0.000 0.785 146 A CB 2.073 21.146 19.000 0.123 0.000 1.351 146 A HN -0.051 nan 8.150 nan 0.000 0.431 147 V N -0.143 119.750 119.914 -0.035 0.000 3.120 147 V HA 0.671 4.791 4.120 -0.001 0.000 0.303 147 V C -2.060 173.875 176.094 -0.265 0.000 1.238 147 V CA -0.564 61.557 62.300 -0.300 0.000 1.008 147 V CB 2.034 33.319 31.823 -0.897 0.000 1.064 147 V HN 1.153 nan 8.190 nan 0.000 0.434 148 L N 4.900 125.925 121.223 -0.329 0.000 2.333 148 L HA 0.732 5.072 4.340 -0.001 0.000 0.280 148 L C -1.336 175.258 176.870 -0.460 0.000 1.004 148 L CA 0.113 54.800 54.840 -0.255 0.000 0.820 148 L CB 1.454 43.418 42.059 -0.157 0.000 1.247 148 L HN 0.572 nan 8.230 nan 0.000 0.416 149 F N 4.073 123.778 119.950 -0.408 0.000 2.443 149 F HA 0.614 5.141 4.527 -0.001 0.000 0.335 149 F C 0.251 175.675 175.800 -0.627 0.000 1.104 149 F CA -0.370 57.258 58.000 -0.620 0.000 1.013 149 F CB 1.498 40.003 39.000 -0.825 0.000 1.136 149 F HN 0.390 nan 8.300 nan 0.000 0.470 150 R N 3.890 124.102 120.500 -0.479 0.000 2.409 150 R HA 0.501 4.840 4.340 -0.001 0.000 0.313 150 R C -1.931 174.139 176.300 -0.385 0.000 0.953 150 R CA -0.458 55.442 56.100 -0.334 0.000 0.849 150 R CB 0.679 30.897 30.300 -0.136 0.000 1.171 150 R HN 0.558 nan 8.270 nan 0.000 0.458 151 F N 2.301 122.309 119.950 0.096 0.000 2.404 151 F HA 0.311 4.837 4.527 -0.001 0.000 0.354 151 F C 0.382 176.181 175.800 -0.002 0.000 1.122 151 F CA -0.775 57.207 58.000 -0.030 0.000 1.080 151 F CB 2.324 41.284 39.000 -0.067 0.000 1.131 151 F HN 0.285 nan 8.300 nan 0.000 0.471 152 T N 4.755 119.367 114.554 0.096 0.000 2.781 152 T HA 0.366 4.716 4.350 -0.001 0.000 0.305 152 T C -0.392 174.351 174.700 0.072 0.000 1.001 152 T CA -0.299 61.877 62.100 0.127 0.000 0.950 152 T CB -0.120 68.817 68.868 0.115 0.000 0.955 152 T HN 0.183 nan 8.240 nan 0.000 0.471 153 F N 5.214 125.260 119.950 0.159 0.000 2.378 153 F HA 0.459 4.985 4.527 -0.001 0.000 0.325 153 F C -1.535 174.333 175.800 0.113 0.000 1.097 153 F CA -2.037 56.046 58.000 0.138 0.000 1.079 153 F CB 1.041 40.117 39.000 0.128 0.000 1.240 153 F HN 0.331 nan 8.300 nan 0.000 0.519 154 P HA 0.101 nan 4.420 nan 0.000 0.284 154 P C -1.402 176.006 177.300 0.181 0.000 1.292 154 P CA -0.615 62.614 63.100 0.216 0.000 0.800 154 P CB 0.607 32.423 31.700 0.194 0.000 1.188 155 E N 1.062 121.333 120.200 0.118 0.000 2.217 155 E HA 0.139 4.488 4.350 -0.001 0.000 0.279 155 E C -0.602 176.033 176.600 0.059 0.000 1.068 155 E CA -0.177 56.266 56.400 0.071 0.000 0.882 155 E CB -0.219 29.511 29.700 0.050 0.000 1.039 155 E HN 0.246 nan 8.360 nan 0.000 0.418 156 N N 3.633 122.347 118.700 0.023 0.000 2.446 156 N HA 0.066 4.806 4.740 -0.001 0.000 0.272 156 N C -0.888 174.549 175.510 -0.121 0.000 1.127 156 N CA -0.499 52.546 53.050 -0.009 0.000 0.896 156 N CB 1.866 40.383 38.487 0.050 0.000 1.658 156 N HN 0.435 nan 8.380 nan 0.000 0.483 157 D N -0.224 120.044 120.400 -0.220 0.000 2.317 157 D HA 0.028 4.668 4.640 -0.001 0.000 0.211 157 D C -0.338 175.516 176.300 -0.744 0.000 0.966 157 D CA 1.202 54.925 54.000 -0.462 0.000 0.876 157 D CB 0.166 40.633 40.800 -0.555 0.000 0.927 157 D HN 0.380 nan 8.370 nan 0.000 0.519 158 H N -0.123 118.836 119.070 -0.185 0.000 2.569 158 H HA 0.370 4.926 4.556 -0.001 0.000 0.247 158 H C -0.500 174.508 175.328 -0.532 0.000 1.346 158 H CA -0.281 55.517 56.048 -0.417 0.000 1.502 158 H CB 0.385 30.064 29.762 -0.138 0.000 1.512 158 H HN -0.209 nan 8.280 nan 0.000 0.502 159 S N 2.330 117.671 115.700 -0.598 0.000 2.489 159 S HA 0.562 5.032 4.470 -0.001 0.000 0.291 159 S C -0.547 173.493 174.600 -0.934 0.000 1.151 159 S CA -0.529 57.368 58.200 -0.505 0.000 1.082 159 S CB 1.035 63.887 63.200 -0.580 0.000 1.019 159 S HN 0.351 nan 8.310 nan 0.000 0.492 160 Y N 0.063 120.207 120.300 -0.260 0.000 2.634 160 Y HA 0.692 5.242 4.550 -0.001 0.000 0.340 160 Y C -0.346 175.411 175.900 -0.239 0.000 1.058 160 Y CA -1.160 56.698 58.100 -0.403 0.000 1.081 160 Y CB 1.338 39.601 38.460 -0.329 0.000 1.295 160 Y HN 0.318 nan 8.280 nan 0.000 0.487 161 V N 2.134 121.975 119.914 -0.121 0.000 2.577 161 V HA 0.437 4.557 4.120 -0.001 0.000 0.303 161 V C -0.925 175.150 176.094 -0.033 0.000 1.042 161 V CA -0.904 61.346 62.300 -0.083 0.000 0.872 161 V CB 1.714 33.529 31.823 -0.014 0.000 0.998 161 V HN 0.524 nan 8.190 nan 0.000 0.423 162 V N 5.514 125.421 119.914 -0.013 0.000 2.439 162 V HA 0.493 4.613 4.120 -0.001 0.000 0.282 162 V C -0.114 176.052 176.094 0.121 0.000 1.039 162 V CA -0.487 61.844 62.300 0.052 0.000 0.913 162 V CB 1.829 33.647 31.823 -0.008 0.000 0.983 162 V HN 0.601 nan 8.190 nan 0.000 0.460 163 V N 3.817 123.855 119.914 0.208 0.000 2.448 163 V HA 0.460 4.580 4.120 -0.001 0.000 0.295 163 V C -0.587 175.732 176.094 0.374 0.000 1.025 163 V CA -0.476 61.979 62.300 0.258 0.000 0.859 163 V CB 1.880 33.859 31.823 0.261 0.000 0.988 163 V HN 0.902 nan 8.190 nan 0.000 0.431 164 D N 3.681 124.312 120.400 0.385 0.000 2.425 164 D HA 0.557 5.197 4.640 -0.001 0.000 0.240 164 D C 0.455 177.112 176.300 0.596 0.000 1.080 164 D CA -0.349 53.982 54.000 0.552 0.000 0.836 164 D CB 2.266 43.288 40.800 0.370 0.000 1.125 164 D HN 0.549 nan 8.370 nan 0.000 0.525 165 A N 3.742 126.921 122.820 0.598 0.000 2.251 165 A HA 0.318 4.637 4.320 -0.001 0.000 0.209 165 A C 0.321 178.246 177.584 0.567 0.000 1.187 165 A CA 0.006 52.348 52.037 0.508 0.000 0.823 165 A CB -0.444 18.808 19.000 0.419 0.000 0.846 165 A HN 0.549 nan 8.150 nan 0.000 0.486 166 F N -0.783 119.286 119.950 0.198 0.000 2.183 166 F HA -0.169 4.357 4.527 -0.001 0.000 0.318 166 F C 0.426 175.985 175.800 -0.402 0.000 0.517 166 F CA 0.399 58.312 58.000 -0.146 0.000 0.912 166 F CB -0.974 38.031 39.000 0.008 0.000 4.135 166 F HN 0.550 nan 8.300 nan 0.000 0.137 167 D N 0.179 120.380 120.400 -0.332 0.000 2.560 167 D HA 0.473 5.113 4.640 -0.001 0.000 0.277 167 D C 0.102 176.427 176.300 0.042 0.000 1.194 167 D CA 0.109 53.978 54.000 -0.218 0.000 1.092 167 D CB 0.429 41.092 40.800 -0.228 0.000 1.169 167 D HN 0.462 nan 8.370 nan 0.000 0.607 168 K N -1.508 118.931 120.400 0.066 0.000 3.339 168 K HA -0.011 4.309 4.320 -0.001 0.000 0.299 168 K C 0.303 176.985 176.600 0.136 0.000 1.270 168 K CA 1.013 57.362 56.287 0.103 0.000 0.875 168 K CB -2.229 30.341 32.500 0.116 0.000 1.298 168 K HN 1.431 nan 8.250 nan 0.000 0.485 169 G N 0.179 109.065 108.800 0.143 0.000 3.251 169 G HA2 0.021 3.981 3.960 -0.001 0.000 0.680 169 G HA3 0.021 3.981 3.960 -0.001 0.000 0.680 169 G C -0.220 174.813 174.900 0.221 0.000 1.129 169 G CA 0.141 45.344 45.100 0.172 0.000 0.994 169 G HN 0.928 nan 8.290 nan 0.000 0.450 170 S N 1.094 116.893 115.700 0.164 0.000 2.720 170 S HA 0.913 5.382 4.470 -0.001 0.000 0.287 170 S C -0.920 173.595 174.600 -0.141 0.000 1.168 170 S CA -0.823 57.424 58.200 0.078 0.000 0.832 170 S CB 2.800 66.096 63.200 0.161 0.000 1.166 170 S HN 2.079 nan 8.310 nan 0.000 0.493 171 Y N -0.259 119.678 120.300 -0.605 0.000 2.513 171 Y HA 0.807 5.356 4.550 -0.001 0.000 0.340 171 Y C -2.039 173.639 175.900 -0.369 0.000 1.055 171 Y CA -1.024 56.709 58.100 -0.612 0.000 1.020 171 Y CB 1.351 39.113 38.460 -1.163 0.000 1.301 171 Y HN 0.964 nan 8.280 nan 0.000 0.453 172 I N 5.036 124.971 120.570 -1.059 0.000 2.802 172 I HA 0.590 4.760 4.170 -0.001 0.000 0.298 172 I C -1.869 173.728 176.117 -0.866 0.000 1.176 172 I CA -0.528 60.321 61.300 -0.752 0.000 1.025 172 I CB 2.149 39.982 38.000 -0.277 0.000 1.243 172 I HN 0.685 nan 8.210 nan 0.000 0.424 173 K N 7.266 127.336 120.400 -0.551 0.000 2.550 173 K HA 0.584 4.903 4.320 -0.001 0.000 0.252 173 K C -2.009 174.505 176.600 -0.142 0.000 0.943 173 K CA -0.515 55.573 56.287 -0.331 0.000 0.806 173 K CB 1.452 33.776 32.500 -0.294 0.000 1.289 173 K HN 0.580 nan 8.250 nan 0.000 0.435 174 I N 5.158 125.684 120.570 -0.073 0.000 2.336 174 I HA 0.317 4.487 4.170 -0.001 0.000 0.292 174 I C -0.448 175.711 176.117 0.070 0.000 0.991 174 I CA -0.997 60.319 61.300 0.026 0.000 1.227 174 I CB 1.341 39.340 38.000 -0.002 0.000 1.366 174 I HN 0.484 nan 8.210 nan 0.000 0.466 175 I N 9.029 129.683 120.570 0.140 0.000 2.503 175 I HA 0.259 4.428 4.170 -0.001 0.000 0.277 175 I C -1.753 174.455 176.117 0.152 0.000 1.078 175 I CA -1.493 59.869 61.300 0.104 0.000 1.184 175 I CB 1.021 39.056 38.000 0.057 0.000 1.353 175 I HN 0.331 nan 8.210 nan 0.000 0.490 176 P HA -0.173 nan 4.420 nan 0.000 0.215 176 P C 0.830 178.100 177.300 -0.051 0.000 1.153 176 P CA 1.292 64.442 63.100 0.083 0.000 0.853 176 P CB 0.156 31.915 31.700 0.099 0.000 0.788 177 E N -0.240 119.952 120.200 -0.014 0.000 2.515 177 E HA -0.114 4.236 4.350 -0.001 0.000 0.201 177 E C 0.831 177.412 176.600 -0.033 0.000 1.071 177 E CA 0.771 57.153 56.400 -0.029 0.000 0.880 177 E CB -0.718 28.975 29.700 -0.012 0.000 0.828 177 E HN 0.488 nan 8.360 nan 0.000 0.540 178 E N 0.080 120.264 120.200 -0.027 0.000 2.759 178 E HA 0.138 4.488 4.350 -0.001 0.000 0.220 178 E C -0.508 176.084 176.600 -0.014 0.000 0.974 178 E CA -0.384 56.011 56.400 -0.010 0.000 1.148 178 E CB 0.324 30.037 29.700 0.021 0.000 1.059 178 E HN 0.029 nan 8.360 nan 0.000 0.493 179 N N 2.365 120.979 118.700 -0.144 0.000 2.714 179 N HA -0.214 4.525 4.740 -0.001 0.000 0.252 179 N C -0.704 174.956 175.510 0.250 0.000 1.014 179 N CA 1.254 54.126 53.050 -0.296 0.000 0.735 179 N CB -0.829 37.560 38.487 -0.162 0.000 0.924 179 N HN 0.307 nan 8.380 nan 0.000 0.540 180 K N 0.270 120.895 120.400 0.376 0.000 2.426 180 K HA 0.646 4.966 4.320 -0.001 0.000 0.251 180 K C -0.925 175.923 176.600 0.413 0.000 0.941 180 K CA -0.647 55.871 56.287 0.384 0.000 0.808 180 K CB 1.495 34.102 32.500 0.179 0.000 1.265 180 K HN 0.077 nan 8.250 nan 0.000 0.432 181 I N 5.884 126.666 120.570 0.353 0.000 2.466 181 I HA 0.407 4.577 4.170 -0.001 0.000 0.289 181 I C -0.272 175.947 176.117 0.169 0.000 1.026 181 I CA -1.013 60.434 61.300 0.245 0.000 1.078 181 I CB 1.763 39.947 38.000 0.307 0.000 1.249 181 I HN 0.612 nan 8.210 nan 0.000 0.429 182 I N 2.432 123.008 120.570 0.009 0.000 2.846 182 I HA 1.068 5.238 4.170 -0.001 0.000 0.307 182 I C -0.213 175.702 176.117 -0.337 0.000 1.053 182 I CA -0.410 60.820 61.300 -0.117 0.000 1.050 182 I CB 2.416 40.258 38.000 -0.264 0.000 1.239 182 I HN 0.619 nan 8.210 nan 0.000 0.439 183 G N 2.221 110.593 108.800 -0.713 0.000 2.495 183 G HA2 0.528 4.488 3.960 -0.001 0.000 0.294 183 G HA3 0.528 4.488 3.960 -0.001 0.000 0.294 183 G C -2.192 172.174 174.900 -0.890 0.000 1.397 183 G CA -0.572 44.038 45.100 -0.816 0.000 0.790 183 G HN 1.045 nan 8.290 nan 0.000 0.486 184 Y N -1.469 118.630 120.300 -0.335 0.000 2.524 184 Y HA 0.863 5.412 4.550 -0.001 0.000 0.347 184 Y C -0.315 175.581 175.900 -0.007 0.000 1.005 184 Y CA -1.326 56.574 58.100 -0.333 0.000 1.025 184 Y CB 1.828 40.002 38.460 -0.478 0.000 1.275 184 Y HN 0.722 nan 8.280 nan 0.000 0.460 185 T N 0.533 115.266 114.554 0.299 0.000 2.912 185 T HA 0.523 4.873 4.350 -0.001 0.000 0.288 185 T C 0.385 175.225 174.700 0.233 0.000 1.030 185 T CA 0.181 62.468 62.100 0.311 0.000 1.020 185 T CB 1.257 70.308 68.868 0.305 0.000 1.056 185 T HN 1.166 nan 8.240 nan 0.000 0.480 186 T N 0.892 115.625 114.554 0.300 0.000 3.009 186 T HA 0.288 4.638 4.350 -0.001 0.000 0.267 186 T C 0.696 175.653 174.700 0.428 0.000 0.942 186 T CA -0.393 61.925 62.100 0.363 0.000 0.883 186 T CB -0.119 68.919 68.868 0.284 0.000 1.192 186 T HN 0.627 nan 8.240 nan 0.000 0.524 187 R N 3.119 123.816 120.500 0.328 0.000 2.504 187 R HA 0.120 4.459 4.340 -0.001 0.000 0.291 187 R C -0.271 176.194 176.300 0.275 0.000 0.974 187 R CA 0.762 57.025 56.100 0.271 0.000 1.077 187 R CB 0.098 30.568 30.300 0.283 0.000 0.926 187 R HN 0.733 nan 8.270 nan 0.000 0.407 188 N N 1.291 120.098 118.700 0.178 0.000 2.902 188 N HA 0.129 4.868 4.740 -0.001 0.000 0.268 188 N C -1.124 174.415 175.510 0.048 0.000 1.450 188 N CA -0.885 52.225 53.050 0.101 0.000 0.819 188 N CB 1.694 40.122 38.487 -0.098 0.000 1.540 188 N HN 0.339 nan 8.380 nan 0.000 0.545 189 S N -1.220 114.485 115.700 0.008 0.000 2.664 189 S HA 0.536 5.005 4.470 -0.001 0.000 0.245 189 S C 0.448 175.011 174.600 -0.061 0.000 1.019 189 S CA 0.104 58.300 58.200 -0.007 0.000 0.996 189 S CB -0.269 62.937 63.200 0.011 0.000 0.878 189 S HN 1.122 nan 8.310 nan 0.000 0.493 190 G N 0.290 109.027 108.800 -0.104 0.000 2.479 190 G HA2 0.380 4.340 3.960 -0.001 0.000 0.686 190 G HA3 0.380 4.340 3.960 -0.001 0.000 0.686 190 G C 0.293 175.066 174.900 -0.211 0.000 1.295 190 G CA -0.372 44.653 45.100 -0.125 0.000 0.922 190 G HN 1.143 nan 8.290 nan 0.000 0.582 191 G N -2.204 106.484 108.800 -0.186 0.000 2.295 191 G HA2 0.304 4.264 3.960 -0.001 0.000 0.287 191 G HA3 0.304 4.264 3.960 -0.001 0.000 0.287 191 G C 0.725 175.411 174.900 -0.356 0.000 1.055 191 G CA 1.403 46.358 45.100 -0.241 0.000 0.922 191 G HN 2.439 nan 8.290 nan 0.000 0.503 192 V N -3.504 116.238 119.914 -0.287 0.000 2.876 192 V HA 0.933 5.053 4.120 -0.001 0.000 0.312 192 V C -2.046 174.000 176.094 -0.079 0.000 1.085 192 V CA -2.681 59.449 62.300 -0.283 0.000 0.945 192 V CB 2.010 33.553 31.823 -0.467 0.000 1.017 192 V HN 0.100 nan 8.190 nan 0.000 0.428 193 P HA 0.332 nan 4.420 nan 0.000 0.272 193 P C 0.681 178.076 177.300 0.159 0.000 1.230 193 P CA -0.288 62.870 63.100 0.096 0.000 0.788 193 P CB 0.602 32.376 31.700 0.122 0.000 0.949 194 E N 1.459 121.732 120.200 0.121 0.000 2.160 194 E HA -0.189 4.160 4.350 -0.001 0.000 0.195 194 E C 1.001 177.680 176.600 0.131 0.000 0.991 194 E CA 1.326 57.793 56.400 0.110 0.000 0.810 194 E CB -0.578 29.170 29.700 0.080 0.000 0.742 194 E HN 0.551 nan 8.360 nan 0.000 0.466 195 N N 0.592 119.387 118.700 0.157 0.000 2.370 195 N HA -0.095 4.645 4.740 -0.001 0.000 0.198 195 N C 0.138 175.692 175.510 0.075 0.000 1.156 195 N CA -0.331 52.781 53.050 0.104 0.000 0.839 195 N CB -0.814 37.739 38.487 0.110 0.000 0.989 195 N HN -0.013 nan 8.380 nan 0.000 0.468 196 F N 2.209 122.184 119.950 0.042 0.000 2.608 196 F HA 0.194 4.721 4.527 -0.001 0.000 0.380 196 F C 0.063 175.754 175.800 -0.181 0.000 1.083 196 F CA 0.238 58.232 58.000 -0.010 0.000 1.266 196 F CB 0.415 39.473 39.000 0.096 0.000 1.076 196 F HN -0.078 nan 8.300 nan 0.000 0.574 197 K N 5.037 124.683 120.400 -1.257 0.000 2.546 197 K HA 0.184 4.503 4.320 -0.001 0.000 0.264 197 K C -1.430 174.376 176.600 -1.323 0.000 0.937 197 K CA -1.029 54.474 56.287 -1.307 0.000 0.833 197 K CB 1.924 33.544 32.500 -1.467 0.000 1.378 197 K HN 0.663 nan 8.250 nan 0.000 0.432 198 N N 2.666 120.794 118.700 -0.954 0.000 2.476 198 N HA 0.237 4.977 4.740 -0.001 0.000 0.257 198 N C -1.393 173.773 175.510 -0.574 0.000 0.970 198 N CA -0.356 52.277 53.050 -0.695 0.000 0.938 198 N CB 0.632 38.917 38.487 -0.338 0.000 1.144 198 N HN 0.388 nan 8.380 nan 0.000 0.500 199 Y N 3.872 123.905 120.300 -0.446 0.000 2.336 199 Y HA 0.295 4.845 4.550 -0.001 0.000 0.335 199 Y C 0.095 175.857 175.900 -0.230 0.000 1.046 199 Y CA -0.675 57.105 58.100 -0.533 0.000 1.198 199 Y CB 0.413 38.335 38.460 -0.896 0.000 1.182 199 Y HN 0.317 nan 8.280 nan 0.000 0.502 200 F N 1.431 121.389 119.950 0.013 0.000 2.577 200 F HA 0.899 5.426 4.527 -0.001 0.000 0.318 200 F C -1.398 174.495 175.800 0.156 0.000 1.065 200 F CA -2.015 55.980 58.000 -0.007 0.000 0.929 200 F CB 1.182 39.899 39.000 -0.472 0.000 1.237 200 F HN 0.201 nan 8.300 nan 0.000 0.468 201 I N 3.250 124.057 120.570 0.395 0.000 2.582 201 I HA 0.505 4.675 4.170 -0.001 0.000 0.292 201 I C -1.080 175.205 176.117 0.279 0.000 1.066 201 I CA -0.806 60.668 61.300 0.290 0.000 1.053 201 I CB 2.434 40.562 38.000 0.213 0.000 1.241 201 I HN 0.587 nan 8.210 nan 0.000 0.421 202 I N 4.945 125.645 120.570 0.217 0.000 2.468 202 I HA 0.326 4.496 4.170 -0.001 0.000 0.285 202 I C -0.739 175.381 176.117 0.004 0.000 1.039 202 I CA -0.454 60.897 61.300 0.085 0.000 1.074 202 I CB 1.957 40.004 38.000 0.078 0.000 1.228 202 I HN 0.530 nan 8.210 nan 0.000 0.436 203 E N 5.755 125.914 120.200 -0.068 0.000 2.151 203 E HA 0.523 4.873 4.350 -0.001 0.000 0.275 203 E C -1.363 175.176 176.600 -0.102 0.000 0.936 203 E CA -0.561 55.839 56.400 -0.000 0.000 0.777 203 E CB 1.954 31.680 29.700 0.043 0.000 1.108 203 E HN 0.276 nan 8.360 nan 0.000 0.401 204 F N 1.662 121.749 119.950 0.230 0.000 2.425 204 F HA 0.151 4.678 4.527 -0.001 0.000 0.331 204 F C 1.142 177.016 175.800 0.123 0.000 1.085 204 F CA -0.841 57.306 58.000 0.245 0.000 1.028 204 F CB 1.072 40.331 39.000 0.431 0.000 1.177 204 F HN 0.438 nan 8.300 nan 0.000 0.487 205 D N 0.839 121.410 120.400 0.285 0.000 2.434 205 D HA 0.051 4.691 4.640 -0.001 0.000 0.232 205 D C -0.187 176.160 176.300 0.079 0.000 1.166 205 D CA 0.094 54.175 54.000 0.134 0.000 0.830 205 D CB 0.072 40.924 40.800 0.087 0.000 0.960 205 D HN 0.187 nan 8.370 nan 0.000 0.497 206 K N 0.932 121.396 120.400 0.106 0.000 2.535 206 K HA 0.356 4.676 4.320 -0.001 0.000 0.251 206 K C -3.203 173.390 176.600 -0.011 0.000 0.942 206 K CA -1.762 54.497 56.287 -0.048 0.000 0.798 206 K CB 2.596 34.922 32.500 -0.291 0.000 1.267 206 K HN -0.152 nan 8.250 nan 0.000 0.434 207 P HA 0.172 nan 4.420 nan 0.000 0.271 207 P C -0.666 176.701 177.300 0.111 0.000 1.216 207 P CA -0.232 62.794 63.100 -0.124 0.000 0.776 207 P CB 0.153 31.807 31.700 -0.077 0.000 0.881 208 F N 0.653 120.678 119.950 0.125 0.000 2.472 208 F HA 0.151 4.677 4.527 -0.001 0.000 0.364 208 F C 1.820 177.662 175.800 0.071 0.000 1.090 208 F CA -0.011 58.043 58.000 0.090 0.000 1.188 208 F CB -0.655 38.344 39.000 -0.002 0.000 1.105 208 F HN 0.215 nan 8.300 nan 0.000 0.536 209 T N 2.225 116.943 114.554 0.274 0.000 3.057 209 T HA -0.019 4.330 4.350 -0.001 0.000 0.254 209 T C -0.626 174.188 174.700 0.190 0.000 1.094 209 T CA 0.751 62.957 62.100 0.176 0.000 1.088 209 T CB -0.344 68.606 68.868 0.137 0.000 0.934 209 T HN 0.478 nan 8.240 nan 0.000 0.497 210 Y N 2.196 122.516 120.300 0.034 0.000 2.492 210 Y HA 0.529 5.078 4.550 -0.001 0.000 0.346 210 Y C -1.549 174.329 175.900 -0.038 0.000 0.997 210 Y CA -1.543 56.567 58.100 0.017 0.000 1.025 210 Y CB 1.200 39.694 38.460 0.057 0.000 1.263 210 Y HN -0.048 nan 8.280 nan 0.000 0.454 211 K N 4.316 124.343 120.400 -0.622 0.000 2.523 211 K HA 0.978 5.298 4.320 -0.001 0.000 0.257 211 K C -2.063 174.177 176.600 -0.600 0.000 0.932 211 K CA -1.087 54.922 56.287 -0.463 0.000 0.812 211 K CB 2.313 34.690 32.500 -0.206 0.000 1.326 211 K HN 0.839 nan 8.250 nan 0.000 0.433 212 A N 1.070 123.667 122.820 -0.372 0.000 2.589 212 A HA 0.689 5.009 4.320 -0.001 0.000 0.296 212 A C -0.869 176.609 177.584 -0.177 0.000 1.062 212 A CA -0.691 51.181 52.037 -0.275 0.000 0.686 212 A CB 1.628 20.487 19.000 -0.234 0.000 1.282 212 A HN 0.837 nan 8.150 nan 0.000 0.404 213 T N -1.252 113.201 114.554 -0.169 0.000 2.952 213 T HA 0.788 5.138 4.350 -0.001 0.000 0.286 213 T C -0.413 174.160 174.700 -0.212 0.000 1.024 213 T CA -0.719 61.278 62.100 -0.173 0.000 1.029 213 T CB 1.440 70.211 68.868 -0.162 0.000 1.094 213 T HN 1.063 nan 8.240 nan 0.000 0.515 214 V N 1.452 121.190 119.914 -0.293 0.000 2.604 214 V HA 0.661 4.781 4.120 -0.001 0.000 0.305 214 V C -0.397 175.479 176.094 -0.364 0.000 1.043 214 V CA -0.754 61.292 62.300 -0.423 0.000 0.888 214 V CB 1.611 32.908 31.823 -0.876 0.000 0.995 214 V HN 1.060 nan 8.190 nan 0.000 0.429 215 E N 4.439 124.467 120.200 -0.286 0.000 2.460 215 E HA 0.272 4.621 4.350 -0.001 0.000 0.249 215 E C -0.378 176.128 176.600 -0.157 0.000 0.962 215 E CA -0.474 55.815 56.400 -0.185 0.000 0.787 215 E CB 0.731 30.361 29.700 -0.117 0.000 1.341 215 E HN 0.848 nan 8.360 nan 0.000 0.407 216 N N 3.370 121.977 118.700 -0.154 0.000 2.708 216 N HA -0.269 4.470 4.740 -0.001 0.000 0.255 216 N C 0.720 176.159 175.510 -0.119 0.000 1.046 216 N CA 0.536 53.533 53.050 -0.089 0.000 0.715 216 N CB -0.947 37.527 38.487 -0.022 0.000 0.895 216 N HN 0.918 nan 8.380 nan 0.000 0.545 217 G N -0.831 107.840 108.800 -0.215 0.000 2.284 217 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.261 217 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.261 217 G C 0.092 174.908 174.900 -0.140 0.000 0.997 217 G CA 0.457 45.472 45.100 -0.142 0.000 0.621 217 G HN 0.514 nan 8.290 nan 0.000 0.534 218 N N 0.675 119.286 118.700 -0.149 0.000 2.458 218 N HA 0.489 5.229 4.740 -0.001 0.000 0.270 218 N C -0.194 175.224 175.510 -0.153 0.000 1.102 218 N CA -0.372 52.606 53.050 -0.121 0.000 0.967 218 N CB 1.364 39.795 38.487 -0.093 0.000 1.078 218 N HN 0.237 nan 8.380 nan 0.000 0.471 219 L N 2.823 123.977 121.223 -0.115 0.000 2.290 219 L HA 0.219 4.558 4.340 -0.001 0.000 0.284 219 L C -0.216 176.596 176.870 -0.096 0.000 1.078 219 L CA 0.092 54.866 54.840 -0.110 0.000 0.815 219 L CB 0.241 42.261 42.059 -0.066 0.000 1.162 219 L HN 0.446 nan 8.230 nan 0.000 0.435 220 Q N 4.696 124.427 119.800 -0.115 0.000 2.394 220 Q HA 0.267 4.607 4.340 -0.001 0.000 0.261 220 Q C -0.745 175.176 176.000 -0.131 0.000 1.023 220 Q CA -0.459 55.281 55.803 -0.105 0.000 0.720 220 Q CB 1.760 30.437 28.738 -0.102 0.000 1.241 220 Q HN 0.571 nan 8.270 nan 0.000 0.483 221 E N 2.660 122.780 120.200 -0.132 0.000 2.376 221 E HA -0.042 4.308 4.350 -0.001 0.000 0.266 221 E C -0.060 176.433 176.600 -0.177 0.000 1.009 221 E CA 0.205 56.477 56.400 -0.213 0.000 0.902 221 E CB 0.325 29.909 29.700 -0.195 0.000 0.972 221 E HN 0.494 nan 8.360 nan 0.000 0.439 222 N N 1.433 120.007 118.700 -0.211 0.000 2.909 222 N HA -0.174 4.565 4.740 -0.001 0.000 0.242 222 N C -1.063 174.387 175.510 -0.100 0.000 0.975 222 N CA 0.901 53.867 53.050 -0.140 0.000 0.921 222 N CB -1.232 37.190 38.487 -0.108 0.000 1.112 222 N HN 0.203 nan 8.380 nan 0.000 0.581 223 V N 0.988 120.839 119.914 -0.106 0.000 2.432 223 V HA 0.468 4.587 4.120 -0.001 0.000 0.271 223 V C 1.637 177.678 176.094 -0.090 0.000 1.046 223 V CA 0.402 62.652 62.300 -0.084 0.000 0.945 223 V CB 1.317 33.091 31.823 -0.081 0.000 0.992 223 V HN 0.347 nan 8.190 nan 0.000 0.471 224 A N 4.204 126.983 122.820 -0.068 0.000 2.067 224 A HA 0.090 4.410 4.320 -0.001 0.000 0.217 224 A C 0.869 178.399 177.584 -0.090 0.000 1.156 224 A CA 0.789 52.786 52.037 -0.065 0.000 0.683 224 A CB 0.027 19.005 19.000 -0.037 0.000 0.808 224 A HN 0.820 nan 8.150 nan 0.000 0.455 225 E N -0.469 119.678 120.200 -0.088 0.000 2.352 225 E HA 0.388 4.738 4.350 -0.001 0.000 0.280 225 E C -1.782 174.765 176.600 -0.090 0.000 0.930 225 E CA -0.653 55.684 56.400 -0.106 0.000 0.765 225 E CB 0.939 30.629 29.700 -0.016 0.000 1.219 225 E HN 0.185 nan 8.360 nan 0.000 0.434 226 Q N 1.948 121.662 119.800 -0.143 0.000 2.305 226 Q HA 0.370 4.710 4.340 -0.001 0.000 0.271 226 Q C -1.369 174.646 176.000 0.025 0.000 1.046 226 Q CA -0.668 55.093 55.803 -0.070 0.000 0.798 226 Q CB 2.464 31.135 28.738 -0.113 0.000 1.286 226 Q HN 0.514 nan 8.270 nan 0.000 0.435 227 T N 1.953 116.572 114.554 0.108 0.000 2.912 227 T HA 0.574 4.923 4.350 -0.001 0.000 0.326 227 T C -0.393 174.358 174.700 0.084 0.000 1.080 227 T CA -0.213 61.981 62.100 0.157 0.000 1.000 227 T CB 1.028 69.998 68.868 0.169 0.000 1.008 227 T HN 0.584 nan 8.240 nan 0.000 0.473 228 T N 1.078 115.675 114.554 0.072 0.000 2.739 228 T HA 0.271 4.621 4.350 -0.001 0.000 0.303 228 T C 0.599 175.356 174.700 0.094 0.000 1.389 228 T CA -0.411 61.728 62.100 0.066 0.000 1.001 228 T CB 1.650 70.537 68.868 0.032 0.000 1.436 228 T HN 0.421 nan 8.240 nan 0.000 0.500 229 D N 0.217 120.675 120.400 0.098 0.000 2.106 229 D HA -0.137 4.502 4.640 -0.001 0.000 0.191 229 D C 0.702 177.105 176.300 0.171 0.000 0.997 229 D CA 1.852 55.925 54.000 0.121 0.000 0.834 229 D CB -0.040 40.825 40.800 0.108 0.000 0.956 229 D HN 0.579 nan 8.370 nan 0.000 0.448 230 H N -0.866 118.236 119.070 0.054 0.000 2.716 230 H HA 0.574 5.130 4.556 -0.001 0.000 0.260 230 H C -1.137 174.193 175.328 0.004 0.000 1.280 230 H CA -0.821 55.271 56.048 0.073 0.000 1.506 230 H CB 0.517 30.327 29.762 0.080 0.000 1.514 230 H HN 0.185 nan 8.280 nan 0.000 0.502 231 A N 2.946 125.902 122.820 0.226 0.000 2.351 231 A HA 0.680 5.000 4.320 -0.001 0.000 0.257 231 A C 0.408 178.030 177.584 0.062 0.000 1.087 231 A CA 0.328 52.389 52.037 0.041 0.000 0.798 231 A CB 0.734 19.725 19.000 -0.015 0.000 1.033 231 A HN 0.747 nan 8.150 nan 0.000 0.488 232 G N -1.381 107.321 108.800 -0.164 0.000 2.660 232 G HA2 0.766 4.726 3.960 -0.001 0.000 0.290 232 G HA3 0.766 4.726 3.960 -0.001 0.000 0.290 232 G C -1.031 173.804 174.900 -0.108 0.000 1.432 232 G CA 0.118 45.162 45.100 -0.093 0.000 0.807 232 G HN 1.722 nan 8.290 nan 0.000 0.485 233 A N -0.265 122.589 122.820 0.056 0.000 2.498 233 A HA 0.873 5.193 4.320 -0.001 0.000 0.298 233 A C -1.119 176.497 177.584 0.052 0.000 1.075 233 A CA -0.619 51.416 52.037 -0.003 0.000 0.714 233 A CB 1.343 20.339 19.000 -0.006 0.000 1.299 233 A HN 0.777 nan 8.150 nan 0.000 0.407 234 I N 2.211 122.776 120.570 -0.008 0.000 2.478 234 I HA 0.441 4.610 4.170 -0.001 0.000 0.287 234 I C -0.997 175.105 176.117 -0.025 0.000 1.042 234 I CA -0.607 60.701 61.300 0.013 0.000 1.067 234 I CB 1.811 39.838 38.000 0.045 0.000 1.233 234 I HN 0.678 nan 8.210 nan 0.000 0.431 235 I N 2.836 123.291 120.570 -0.191 0.000 2.693 235 I HA 1.052 5.222 4.170 -0.001 0.000 0.303 235 I C 0.057 175.952 176.117 -0.371 0.000 1.025 235 I CA -0.273 60.800 61.300 -0.378 0.000 1.086 235 I CB 1.997 39.290 38.000 -1.180 0.000 1.268 235 I HN 0.539 nan 8.210 nan 0.000 0.440 236 G N 2.672 111.244 108.800 -0.379 0.000 2.727 236 G HA2 0.887 4.846 3.960 -0.001 0.000 0.289 236 G HA3 0.887 4.846 3.960 -0.001 0.000 0.289 236 G C -1.436 172.953 174.900 -0.851 0.000 1.418 236 G CA -0.882 43.680 45.100 -0.896 0.000 0.818 236 G HN 0.953 nan 8.290 nan 0.000 0.486 237 F N -2.455 117.281 119.950 -0.356 0.000 2.878 237 F HA 0.570 5.097 4.527 -0.001 0.000 0.322 237 F C -0.677 174.914 175.800 -0.349 0.000 1.154 237 F CA -1.613 56.233 58.000 -0.257 0.000 0.896 237 F CB 1.212 40.097 39.000 -0.192 0.000 1.313 237 F HN 0.359 nan 8.300 nan 0.000 0.451 238 K N 1.106 121.519 120.400 0.022 0.000 2.218 238 K HA 0.595 4.914 4.320 -0.001 0.000 0.276 238 K C -0.611 175.931 176.600 -0.097 0.000 1.022 238 K CA -0.437 55.794 56.287 -0.093 0.000 0.946 238 K CB 1.623 34.061 32.500 -0.103 0.000 1.000 238 K HN 0.757 nan 8.250 nan 0.000 0.468 239 T N -0.070 114.418 114.554 -0.111 0.000 2.876 239 T HA 0.425 4.775 4.350 -0.001 0.000 0.289 239 T C -0.124 174.555 174.700 -0.035 0.000 1.014 239 T CA -1.147 60.889 62.100 -0.107 0.000 0.986 239 T CB 1.475 70.269 68.868 -0.123 0.000 1.021 239 T HN 0.408 nan 8.240 nan 0.000 0.458 240 R N 1.049 121.536 120.500 -0.021 0.000 2.531 240 R HA 0.339 4.679 4.340 -0.001 0.000 0.273 240 R C 0.396 176.726 176.300 0.050 0.000 1.070 240 R CA -0.884 55.221 56.100 0.008 0.000 1.112 240 R CB 0.705 31.004 30.300 -0.001 0.000 1.049 240 R HN 0.719 nan 8.270 nan 0.000 0.508 241 K N 0.838 121.271 120.400 0.054 0.000 2.491 241 K HA -0.096 4.223 4.320 -0.001 0.000 0.279 241 K C 0.625 177.275 176.600 0.083 0.000 1.026 241 K CA 1.281 57.615 56.287 0.078 0.000 1.070 241 K CB 0.042 32.579 32.500 0.061 0.000 0.887 241 K HN 0.774 nan 8.250 nan 0.000 0.481 242 G N 2.607 111.476 108.800 0.115 0.000 2.179 242 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.260 242 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.260 242 G C -0.026 174.944 174.900 0.116 0.000 0.977 242 G CA 0.449 45.614 45.100 0.109 0.000 0.641 242 G HN 0.772 nan 8.290 nan 0.000 0.533 243 E N 0.726 121.002 120.200 0.126 0.000 2.414 243 E HA 0.342 4.692 4.350 -0.001 0.000 0.263 243 E C 0.383 177.090 176.600 0.179 0.000 1.000 243 E CA 0.087 56.550 56.400 0.105 0.000 0.914 243 E CB 0.195 29.920 29.700 0.043 0.000 0.948 243 E HN 0.528 nan 8.360 nan 0.000 0.444 244 Q N 2.414 122.292 119.800 0.129 0.000 2.271 244 Q HA 0.410 4.750 4.340 -0.001 0.000 0.258 244 Q C -1.184 174.916 176.000 0.167 0.000 0.936 244 Q CA -0.822 55.081 55.803 0.167 0.000 0.909 244 Q CB 2.265 31.064 28.738 0.101 0.000 1.253 244 Q HN 0.318 nan 8.270 nan 0.000 0.440 245 V N 3.262 123.356 119.914 0.301 0.000 2.448 245 V HA 0.343 4.462 4.120 -0.001 0.000 0.295 245 V C -0.348 175.932 176.094 0.311 0.000 1.025 245 V CA -0.916 61.572 62.300 0.312 0.000 0.859 245 V CB 1.642 33.755 31.823 0.484 0.000 0.988 245 V HN 0.758 nan 8.190 nan 0.000 0.431 246 N N 2.851 121.679 118.700 0.214 0.000 2.443 246 N HA 0.736 5.476 4.740 -0.001 0.000 0.295 246 N C -0.535 175.065 175.510 0.151 0.000 1.076 246 N CA -0.325 52.790 53.050 0.109 0.000 0.919 246 N CB 2.541 41.053 38.487 0.042 0.000 1.176 246 N HN 0.783 nan 8.380 nan 0.000 0.487 247 A N 2.286 125.125 122.820 0.032 0.000 2.335 247 A HA 0.467 4.787 4.320 -0.001 0.000 0.304 247 A C -0.258 177.283 177.584 -0.071 0.000 1.118 247 A CA -0.712 51.260 52.037 -0.109 0.000 0.757 247 A CB 0.855 19.744 19.000 -0.186 0.000 1.188 247 A HN 0.600 nan 8.150 nan 0.000 0.460 248 R N 1.741 122.196 120.500 -0.075 0.000 2.254 248 R HA 0.649 4.989 4.340 -0.001 0.000 0.318 248 R C -0.856 175.452 176.300 0.013 0.000 1.031 248 R CA 0.104 56.192 56.100 -0.020 0.000 0.905 248 R CB 0.976 31.278 30.300 0.003 0.000 1.050 248 R HN 0.682 nan 8.270 nan 0.000 0.456 249 I N 1.477 122.084 120.570 0.061 0.000 2.730 249 I HA 0.706 4.876 4.170 -0.001 0.000 0.298 249 I C -0.533 175.726 176.117 0.238 0.000 1.089 249 I CA -0.901 60.503 61.300 0.173 0.000 1.041 249 I CB 2.280 40.410 38.000 0.217 0.000 1.235 249 I HN 0.677 nan 8.210 nan 0.000 0.423 250 A N 3.244 126.259 122.820 0.326 0.000 2.610 250 A HA 0.894 5.214 4.320 -0.001 0.000 0.291 250 A C -1.024 176.774 177.584 0.355 0.000 1.086 250 A CA -0.443 51.785 52.037 0.318 0.000 0.677 250 A CB 2.031 21.155 19.000 0.206 0.000 1.278 250 A HN 0.761 nan 8.150 nan 0.000 0.414 251 S N -0.420 115.445 115.700 0.274 0.000 2.638 251 S HA 0.913 5.382 4.470 -0.001 0.000 0.274 251 S C -0.570 174.027 174.600 -0.005 0.000 1.157 251 S CA -0.111 58.188 58.200 0.165 0.000 0.826 251 S CB 1.597 64.917 63.200 0.200 0.000 1.139 251 S HN 1.923 nan 8.310 nan 0.000 0.474 252 S N -0.869 114.757 115.700 -0.123 0.000 2.588 252 S HA 0.704 5.174 4.470 -0.001 0.000 0.275 252 S C -1.158 173.237 174.600 -0.342 0.000 1.130 252 S CA -0.705 57.393 58.200 -0.169 0.000 0.855 252 S CB 0.917 64.080 63.200 -0.061 0.000 1.116 252 S HN 0.633 nan 8.310 nan 0.000 0.472 253 F N 1.610 121.498 119.950 -0.102 0.000 2.693 253 F HA 0.450 4.977 4.527 -0.001 0.000 0.303 253 F C 1.176 176.855 175.800 -0.202 0.000 1.097 253 F CA 0.046 57.909 58.000 -0.229 0.000 1.330 253 F CB 0.179 39.017 39.000 -0.269 0.000 1.067 253 F HN 0.396 nan 8.300 nan 0.000 0.565 254 I N -1.678 118.918 120.570 0.043 0.000 3.132 254 I HA 0.100 4.270 4.170 -0.001 0.000 0.255 254 I C 0.625 176.530 176.117 -0.354 0.000 1.118 254 I CA 0.312 61.586 61.300 -0.043 0.000 1.463 254 I CB 0.245 38.236 38.000 -0.014 0.000 1.356 254 I HN 0.003 nan 8.210 nan 0.000 0.463 255 S N -1.504 113.842 115.700 -0.589 0.000 2.611 255 S HA 0.340 4.809 4.470 -0.001 0.000 0.268 255 S C -0.033 174.104 174.600 -0.771 0.000 1.156 255 S CA -0.679 56.907 58.200 -1.025 0.000 0.817 255 S CB 0.765 63.682 63.200 -0.472 0.000 1.122 255 S HN 0.041 nan 8.310 nan 0.000 0.466 256 F N 1.270 120.883 119.950 -0.563 0.000 2.171 256 F HA 0.063 4.589 4.527 -0.001 0.000 0.300 256 F C 2.638 178.360 175.800 -0.130 0.000 1.090 256 F CA 1.707 59.579 58.000 -0.213 0.000 1.293 256 F CB -0.507 38.420 39.000 -0.122 0.000 1.013 256 F HN 0.742 nan 8.300 nan 0.000 0.486 257 E N -0.316 119.903 120.200 0.030 0.000 2.085 257 E HA -0.304 4.046 4.350 -0.001 0.000 0.194 257 E C 2.142 178.744 176.600 0.004 0.000 0.994 257 E CA 1.537 57.946 56.400 0.016 0.000 0.801 257 E CB -0.222 29.468 29.700 -0.017 0.000 0.743 257 E HN 0.298 nan 8.360 nan 0.000 0.453 258 Q N 0.485 120.258 119.800 -0.045 0.000 2.172 258 Q HA -0.056 4.283 4.340 -0.001 0.000 0.200 258 Q C 1.798 177.805 176.000 0.011 0.000 0.964 258 Q CA 1.560 57.349 55.803 -0.023 0.000 0.855 258 Q CB -0.236 28.471 28.738 -0.052 0.000 0.918 258 Q HN 0.232 nan 8.270 nan 0.000 0.444 259 A N 0.238 123.067 122.820 0.015 0.000 1.902 259 A HA -0.041 4.278 4.320 -0.001 0.000 0.217 259 A C 2.270 179.914 177.584 0.100 0.000 1.181 259 A CA 1.771 53.853 52.037 0.075 0.000 0.623 259 A CB -1.096 17.979 19.000 0.124 0.000 0.818 259 A HN 0.497 nan 8.150 nan 0.000 0.443 260 A N -0.231 122.646 122.820 0.096 0.000 1.933 260 A HA 0.195 4.515 4.320 -0.001 0.000 0.218 260 A C 2.460 180.084 177.584 0.067 0.000 1.175 260 A CA 1.928 54.017 52.037 0.086 0.000 0.628 260 A CB -0.871 18.173 19.000 0.073 0.000 0.814 260 A HN 0.991 nan 8.150 nan 0.000 0.444 261 A N 0.486 123.339 122.820 0.056 0.000 1.873 261 A HA -0.178 4.141 4.320 -0.001 0.000 0.215 261 A C 1.860 179.481 177.584 0.062 0.000 1.186 261 A CA 1.745 53.813 52.037 0.052 0.000 0.616 261 A CB -0.641 18.385 19.000 0.043 0.000 0.823 261 A HN 0.520 nan 8.150 nan 0.000 0.442 262 N N -0.649 118.092 118.700 0.069 0.000 2.205 262 N HA -0.191 4.548 4.740 -0.001 0.000 0.186 262 N C 1.492 177.055 175.510 0.088 0.000 1.015 262 N CA 1.766 54.864 53.050 0.081 0.000 0.862 262 N CB -0.523 38.017 38.487 0.088 0.000 0.986 262 N HN 0.534 nan 8.380 nan 0.000 0.429 263 M N 1.069 120.723 119.600 0.091 0.000 2.260 263 M HA -0.107 4.373 4.480 -0.001 0.000 0.261 263 M C 0.916 177.257 176.300 0.068 0.000 1.066 263 M CA 1.496 56.848 55.300 0.087 0.000 1.082 263 M CB -0.430 32.221 32.600 0.086 0.000 1.388 263 M HN 0.156 nan 8.290 nan 0.000 0.419 264 N N -0.339 118.398 118.700 0.062 0.000 2.520 264 N HA -0.131 4.609 4.740 -0.001 0.000 0.185 264 N C 1.082 176.623 175.510 0.052 0.000 1.068 264 N CA 0.913 53.994 53.050 0.052 0.000 0.911 264 N CB -0.113 38.403 38.487 0.049 0.000 0.961 264 N HN 0.564 nan 8.380 nan 0.000 0.446 265 E N 0.735 120.972 120.200 0.061 0.000 2.209 265 E HA -0.152 4.198 4.350 -0.001 0.000 0.196 265 E C 1.481 178.111 176.600 0.050 0.000 0.993 265 E CA 0.692 57.129 56.400 0.061 0.000 0.819 265 E CB -0.045 29.699 29.700 0.074 0.000 0.745 265 E HN 0.483 nan 8.360 nan 0.000 0.477 266 L N -0.085 121.165 121.223 0.044 0.000 2.313 266 L HA 0.024 4.363 4.340 -0.001 0.000 0.214 266 L C 1.655 178.540 176.870 0.025 0.000 1.119 266 L CA 0.371 55.228 54.840 0.029 0.000 0.809 266 L CB -0.969 41.103 42.059 0.021 0.000 0.933 266 L HN 0.236 nan 8.230 nan 0.000 0.449 267 G N 0.900 109.718 108.800 0.030 0.000 2.611 267 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.301 267 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.301 267 G C 0.556 175.468 174.900 0.020 0.000 1.233 267 G CA 0.379 45.494 45.100 0.025 0.000 0.993 267 G HN 0.212 nan 8.290 nan 0.000 0.553 268 K N 1.746 122.156 120.400 0.015 0.000 2.514 268 K HA 0.265 4.584 4.320 -0.001 0.000 0.207 268 K C 0.042 176.646 176.600 0.007 0.000 1.035 268 K CA -0.149 56.145 56.287 0.012 0.000 1.113 268 K CB 0.167 32.673 32.500 0.011 0.000 0.846 268 K HN 0.500 nan 8.250 nan 0.000 0.491 269 D N 2.134 122.538 120.400 0.006 0.000 2.382 269 D HA -0.012 4.627 4.640 -0.001 0.000 0.240 269 D C 0.589 176.887 176.300 -0.003 0.000 1.146 269 D CA 0.232 54.233 54.000 0.002 0.000 0.897 269 D CB 0.633 41.435 40.800 0.004 0.000 1.197 269 D HN 0.194 nan 8.370 nan 0.000 0.432 270 N N 0.288 118.984 118.700 -0.006 0.000 2.604 270 N HA 0.162 4.901 4.740 -0.001 0.000 0.297 270 N C 1.097 176.601 175.510 -0.010 0.000 1.266 270 N CA -0.631 52.414 53.050 -0.009 0.000 0.961 270 N CB 0.617 39.100 38.487 -0.007 0.000 1.166 270 N HN 0.112 nan 8.380 nan 0.000 0.601 271 I N -0.159 120.405 120.570 -0.010 0.000 2.151 271 I HA -0.250 3.920 4.170 -0.001 0.000 0.243 271 I C 1.730 177.859 176.117 0.020 0.000 1.080 271 I CA 1.740 63.047 61.300 0.012 0.000 1.339 271 I CB -1.187 36.835 38.000 0.037 0.000 1.039 271 I HN 0.580 nan 8.210 nan 0.000 0.409 272 E N 0.731 120.925 120.200 -0.010 0.000 2.051 272 E HA -0.223 4.126 4.350 -0.001 0.000 0.192 272 E C 2.247 178.827 176.600 -0.032 0.000 0.991 272 E CA 1.257 57.632 56.400 -0.041 0.000 0.799 272 E CB -0.334 29.337 29.700 -0.048 0.000 0.748 272 E HN 0.556 nan 8.360 nan 0.000 0.449 273 Q N -0.082 119.706 119.800 -0.020 0.000 2.119 273 Q HA -0.083 4.257 4.340 -0.001 0.000 0.201 273 Q C 2.305 178.302 176.000 -0.005 0.000 0.972 273 Q CA 0.978 56.770 55.803 -0.017 0.000 0.847 273 Q CB -0.153 28.578 28.738 -0.012 0.000 0.903 273 Q HN 0.265 nan 8.270 nan 0.000 0.433 274 L N 0.319 121.548 121.223 0.011 0.000 2.027 274 L HA -0.161 4.178 4.340 -0.001 0.000 0.206 274 L C 2.584 179.494 176.870 0.066 0.000 1.074 274 L CA 0.898 55.757 54.840 0.032 0.000 0.745 274 L CB -0.655 41.417 42.059 0.023 0.000 0.898 274 L HN 0.226 nan 8.230 nan 0.000 0.433 275 A N -0.342 122.534 122.820 0.094 0.000 1.892 275 A HA -0.335 3.984 4.320 -0.001 0.000 0.218 275 A C 2.206 179.788 177.584 -0.004 0.000 1.188 275 A CA 2.200 54.351 52.037 0.189 0.000 0.631 275 A CB -0.647 18.438 19.000 0.142 0.000 0.822 275 A HN 0.413 nan 8.150 nan 0.000 0.447 276 Q N 0.043 119.801 119.800 -0.070 0.000 2.096 276 Q HA -0.153 4.186 4.340 -0.001 0.000 0.204 276 Q C 1.949 177.880 176.000 -0.115 0.000 0.982 276 Q CA 2.295 58.014 55.803 -0.139 0.000 0.850 276 Q CB -0.308 28.373 28.738 -0.095 0.000 0.901 276 Q HN 0.707 nan 8.270 nan 0.000 0.422 277 K N -1.211 119.164 120.400 -0.042 0.000 2.097 277 K HA -0.043 4.276 4.320 -0.001 0.000 0.205 277 K C 1.997 178.602 176.600 0.007 0.000 1.050 277 K CA 1.053 57.331 56.287 -0.014 0.000 0.938 277 K CB -0.395 32.113 32.500 0.012 0.000 0.718 277 K HN 0.386 nan 8.250 nan 0.000 0.442 278 G N 1.820 110.653 108.800 0.055 0.000 2.402 278 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.216 278 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.216 278 G C 1.450 176.436 174.900 0.143 0.000 1.162 278 G CA 0.658 45.864 45.100 0.177 0.000 0.777 278 G HN 0.215 nan 8.290 nan 0.000 0.539 279 K N 0.260 120.496 120.400 -0.273 0.000 2.026 279 K HA -0.136 4.184 4.320 -0.001 0.000 0.208 279 K C 2.080 178.608 176.600 -0.121 0.000 1.048 279 K CA 1.626 57.587 56.287 -0.542 0.000 0.929 279 K CB -0.153 31.726 32.500 -1.034 0.000 0.713 279 K HN 0.098 nan 8.250 nan 0.000 0.439 280 D N 0.410 120.749 120.400 -0.102 0.000 2.116 280 D HA -0.186 4.453 4.640 -0.001 0.000 0.193 280 D C 1.778 178.096 176.300 0.030 0.000 0.998 280 D CA 1.516 55.502 54.000 -0.023 0.000 0.836 280 D CB -0.345 40.438 40.800 -0.029 0.000 0.951 280 D HN 0.379 nan 8.370 nan 0.000 0.449 281 A N -0.036 122.794 122.820 0.017 0.000 1.883 281 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 281 A C 2.218 179.758 177.584 -0.073 0.000 1.186 281 A CA 1.398 53.409 52.037 -0.043 0.000 0.624 281 A CB -1.188 17.751 19.000 -0.102 0.000 0.822 281 A HN 0.323 nan 8.150 nan 0.000 0.444 282 W N -0.173 121.153 121.300 0.043 0.000 2.409 282 W HA -0.033 4.626 4.660 -0.001 0.000 0.299 282 W C 2.235 178.809 176.519 0.092 0.000 1.203 282 W CA 1.209 58.592 57.345 0.063 0.000 1.298 282 W CB -0.338 29.179 29.460 0.095 0.000 1.127 282 W HN 0.419 nan 8.180 nan 0.000 0.528 283 N N 0.016 118.907 118.700 0.319 0.000 2.223 283 N HA -0.265 4.474 4.740 -0.001 0.000 0.185 283 N C 1.671 177.339 175.510 0.264 0.000 1.016 283 N CA 1.371 54.619 53.050 0.330 0.000 0.863 283 N CB -0.256 38.384 38.487 0.256 0.000 0.983 283 N HN 0.163 nan 8.380 nan 0.000 0.429 284 Q N 1.121 121.022 119.800 0.169 0.000 2.124 284 Q HA -0.128 4.212 4.340 -0.001 0.000 0.202 284 Q C 1.761 177.842 176.000 0.135 0.000 0.977 284 Q CA 1.762 57.638 55.803 0.122 0.000 0.850 284 Q CB 0.015 28.801 28.738 0.081 0.000 0.901 284 Q HN 0.370 nan 8.270 nan 0.000 0.429 285 V N -2.612 117.392 119.914 0.151 0.000 2.795 285 V HA 0.064 4.184 4.120 -0.001 0.000 0.243 285 V C 2.216 178.463 176.094 0.255 0.000 1.069 285 V CA 0.753 63.196 62.300 0.238 0.000 1.089 285 V CB -0.730 31.137 31.823 0.073 0.000 0.756 285 V HN 0.317 nan 8.190 nan 0.000 0.471 286 L N 1.749 123.109 121.223 0.228 0.000 2.083 286 L HA -0.003 4.337 4.340 -0.001 0.000 0.209 286 L C 2.680 179.437 176.870 -0.188 0.000 1.083 286 L CA 1.807 56.755 54.840 0.180 0.000 0.752 286 L CB -1.084 41.135 42.059 0.267 0.000 0.899 286 L HN 0.531 nan 8.230 nan 0.000 0.433 287 G N -0.690 107.906 108.800 -0.341 0.000 2.679 287 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.212 287 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.212 287 G C 1.523 176.180 174.900 -0.406 0.000 1.137 287 G CA 0.034 44.576 45.100 -0.929 0.000 0.787 287 G HN 0.131 nan 8.290 nan 0.000 0.534 288 K N 0.089 120.409 120.400 -0.134 0.000 2.362 288 K HA 0.093 4.413 4.320 -0.001 0.000 0.200 288 K C 0.598 177.125 176.600 -0.123 0.000 1.046 288 K CA 0.440 56.696 56.287 -0.052 0.000 0.952 288 K CB 0.156 32.613 32.500 -0.073 0.000 0.753 288 K HN 0.376 nan 8.250 nan 0.000 0.466 289 I N 1.999 122.479 120.570 -0.150 0.000 2.521 289 I HA 0.141 4.311 4.170 -0.001 0.000 0.277 289 I C -0.703 175.307 176.117 -0.180 0.000 1.054 289 I CA -0.436 60.781 61.300 -0.139 0.000 1.117 289 I CB 1.474 39.491 38.000 0.027 0.000 1.217 289 I HN -0.127 nan 8.210 nan 0.000 0.469 290 E N 5.639 125.713 120.200 -0.209 0.000 2.227 290 E HA 0.508 4.858 4.350 -0.001 0.000 0.282 290 E C -0.598 175.890 176.600 -0.188 0.000 1.015 290 E CA -0.693 55.646 56.400 -0.101 0.000 0.823 290 E CB 2.572 32.327 29.700 0.091 0.000 1.081 290 E HN 0.411 nan 8.360 nan 0.000 0.396 291 V N -0.287 119.468 119.914 -0.266 0.000 2.769 291 V HA 0.640 4.760 4.120 -0.001 0.000 0.312 291 V C -0.617 175.265 176.094 -0.352 0.000 1.061 291 V CA -0.752 61.196 62.300 -0.587 0.000 0.931 291 V CB 1.801 32.687 31.823 -1.563 0.000 1.010 291 V HN 0.727 nan 8.190 nan 0.000 0.433 292 E N 1.773 121.868 120.200 -0.175 0.000 2.446 292 E HA 0.715 5.065 4.350 -0.001 0.000 0.276 292 E C 0.162 176.900 176.600 0.230 0.000 0.969 292 E CA -0.831 55.607 56.400 0.062 0.000 0.800 292 E CB 1.899 31.626 29.700 0.046 0.000 1.341 292 E HN 1.743 nan 8.360 nan 0.000 0.460 293 G N -0.022 108.950 108.800 0.286 0.000 2.289 293 G HA2 -0.006 3.953 3.960 -0.001 0.000 0.280 293 G HA3 -0.006 3.953 3.960 -0.001 0.000 0.280 293 G C 0.022 175.071 174.900 0.250 0.000 1.089 293 G CA 0.061 45.293 45.100 0.219 0.000 0.939 293 G HN 0.757 nan 8.290 nan 0.000 0.499 294 G N -0.592 108.351 108.800 0.238 0.000 2.766 294 G HA2 0.797 4.756 3.960 -0.001 0.000 0.288 294 G HA3 0.797 4.756 3.960 -0.001 0.000 0.288 294 G C -0.284 174.396 174.900 -0.367 0.000 1.408 294 G CA -0.031 45.051 45.100 -0.029 0.000 0.852 294 G HN 1.035 nan 8.290 nan 0.000 0.487 295 N N -1.083 117.397 118.700 -0.366 0.000 2.434 295 N HA 0.314 5.054 4.740 -0.001 0.000 0.266 295 N C 1.199 176.430 175.510 -0.466 0.000 1.223 295 N CA -0.760 52.106 53.050 -0.308 0.000 0.972 295 N CB 1.142 39.539 38.487 -0.150 0.000 1.207 295 N HN 0.358 nan 8.380 nan 0.000 0.525 296 L N -0.185 120.936 121.223 -0.170 0.000 2.083 296 L HA -0.109 4.231 4.340 -0.001 0.000 0.209 296 L C 1.033 177.918 176.870 0.025 0.000 1.083 296 L CA 1.887 56.734 54.840 0.012 0.000 0.752 296 L CB -0.998 41.142 42.059 0.136 0.000 0.899 296 L HN 0.594 nan 8.230 nan 0.000 0.433 297 D N -0.641 119.752 120.400 -0.011 0.000 2.104 297 D HA -0.231 4.409 4.640 -0.001 0.000 0.194 297 D C 2.168 178.486 176.300 0.031 0.000 0.994 297 D CA 1.566 55.575 54.000 0.016 0.000 0.830 297 D CB -0.141 40.653 40.800 -0.009 0.000 0.959 297 D HN 0.559 nan 8.370 nan 0.000 0.452 298 Q N -0.640 119.144 119.800 -0.027 0.000 2.079 298 Q HA -0.164 4.175 4.340 -0.001 0.000 0.200 298 Q C 2.183 178.366 176.000 0.306 0.000 0.974 298 Q CA 0.930 56.785 55.803 0.088 0.000 0.840 298 Q CB -0.225 28.468 28.738 -0.075 0.000 0.898 298 Q HN 0.377 nan 8.270 nan 0.000 0.430 299 Y N 0.990 121.399 120.300 0.181 0.000 2.128 299 Y HA -0.206 4.344 4.550 -0.001 0.000 0.284 299 Y C 2.355 178.331 175.900 0.127 0.000 1.154 299 Y CA 1.131 59.221 58.100 -0.016 0.000 1.149 299 Y CB -0.550 37.576 38.460 -0.556 0.000 0.976 299 Y HN 0.039 nan 8.280 nan 0.000 0.505 300 R N -0.724 119.960 120.500 0.306 0.000 2.073 300 R HA -0.129 4.211 4.340 -0.001 0.000 0.234 300 R C 2.219 178.641 176.300 0.203 0.000 1.134 300 R CA 2.026 58.312 56.100 0.310 0.000 0.952 300 R CB -0.821 29.620 30.300 0.235 0.000 0.850 300 R HN 0.265 nan 8.270 nan 0.000 0.433 301 T N 0.902 115.520 114.554 0.107 0.000 2.720 301 T HA -0.194 4.156 4.350 -0.001 0.000 0.268 301 T C 1.418 176.075 174.700 -0.072 0.000 1.037 301 T CA 1.495 63.540 62.100 -0.091 0.000 1.144 301 T CB -0.340 68.381 68.868 -0.246 0.000 0.864 301 T HN 0.183 nan 8.240 nan 0.000 0.444 302 F N 0.677 120.656 119.950 0.049 0.000 2.084 302 F HA -0.060 4.466 4.527 -0.001 0.000 0.296 302 F C 2.005 177.759 175.800 -0.076 0.000 1.111 302 F CA 1.063 59.113 58.000 0.083 0.000 1.224 302 F CB -0.356 38.689 39.000 0.075 0.000 0.991 302 F HN 0.097 nan 8.300 nan 0.000 0.471 303 Y N 0.010 120.503 120.300 0.320 0.000 2.314 303 Y HA -0.120 4.430 4.550 -0.001 0.000 0.293 303 Y C 2.753 178.733 175.900 0.133 0.000 1.129 303 Y CA 1.300 59.531 58.100 0.218 0.000 1.201 303 Y CB -1.104 37.590 38.460 0.391 0.000 0.999 303 Y HN 0.011 nan 8.280 nan 0.000 0.541 304 S N -1.063 114.778 115.700 0.235 0.000 2.368 304 S HA -0.214 4.255 4.470 -0.001 0.000 0.225 304 S C 2.261 176.988 174.600 0.212 0.000 1.030 304 S CA 1.390 59.714 58.200 0.207 0.000 0.999 304 S CB -0.822 62.451 63.200 0.121 0.000 0.844 304 S HN 0.536 nan 8.310 nan 0.000 0.459 305 C N 0.950 120.288 119.300 0.063 0.000 2.429 305 C HA -0.005 4.454 4.460 -0.001 0.000 0.277 305 C C 2.518 177.520 174.990 0.019 0.000 1.262 305 C CA 0.583 59.639 59.018 0.063 0.000 1.733 305 C CB -1.268 26.451 27.740 -0.034 0.000 2.010 305 C HN 0.527 nan 8.230 nan 0.000 0.483 306 L N 0.354 121.528 121.223 -0.082 0.000 2.056 306 L HA -0.111 4.229 4.340 -0.001 0.000 0.207 306 L C 2.329 179.257 176.870 0.096 0.000 1.078 306 L CA 2.011 56.817 54.840 -0.056 0.000 0.749 306 L CB -1.386 40.611 42.059 -0.103 0.000 0.901 306 L HN 0.555 nan 8.230 nan 0.000 0.433 307 Y N 0.343 120.665 120.300 0.037 0.000 2.151 307 Y HA -0.247 4.303 4.550 -0.001 0.000 0.284 307 Y C 2.349 178.244 175.900 -0.008 0.000 1.166 307 Y CA 1.783 59.871 58.100 -0.019 0.000 1.163 307 Y CB -0.320 37.995 38.460 -0.242 0.000 0.974 307 Y HN 0.101 nan 8.280 nan 0.000 0.511 308 R N 0.192 120.517 120.500 -0.291 0.000 2.280 308 R HA -0.004 4.336 4.340 -0.001 0.000 0.207 308 R C 1.769 178.004 176.300 -0.107 0.000 1.043 308 R CA 1.029 56.932 56.100 -0.328 0.000 1.006 308 R CB -0.527 29.739 30.300 -0.057 0.000 0.885 308 R HN 0.369 nan 8.270 nan 0.000 0.467 309 S N 0.457 116.128 115.700 -0.048 0.000 2.575 309 S HA 0.201 4.670 4.470 -0.001 0.000 0.215 309 S C 1.266 175.837 174.600 -0.047 0.000 0.966 309 S CA 0.100 58.308 58.200 0.013 0.000 0.911 309 S CB 0.290 63.517 63.200 0.045 0.000 0.780 309 S HN 0.190 nan 8.310 nan 0.000 0.514 310 L N 0.726 121.817 121.223 -0.221 0.000 3.066 310 L HA 0.405 4.745 4.340 -0.001 0.000 0.265 310 L C 0.787 177.086 176.870 -0.953 0.000 1.232 310 L CA 0.146 54.577 54.840 -0.682 0.000 1.031 310 L CB 0.031 41.592 42.059 -0.830 0.000 1.379 310 L HN 0.240 nan 8.230 nan 0.000 0.563 311 L N -1.309 119.687 121.223 -0.379 0.000 2.433 311 L HA 0.283 4.623 4.340 -0.001 0.000 0.200 311 L C 0.386 177.179 176.870 -0.129 0.000 1.059 311 L CA 0.493 55.140 54.840 -0.322 0.000 0.835 311 L CB 0.244 42.038 42.059 -0.441 0.000 1.076 311 L HN 0.050 nan 8.230 nan 0.000 0.481 312 F N 0.012 120.129 119.950 0.278 0.000 2.518 312 F HA 0.442 4.969 4.527 -0.001 0.000 0.338 312 F C -1.783 174.209 175.800 0.320 0.000 1.065 312 F CA -2.627 55.575 58.000 0.337 0.000 1.012 312 F CB -0.357 38.789 39.000 0.243 0.000 1.297 312 F HN -0.225 nan 8.300 nan 0.000 0.489 313 P HA -0.130 nan 4.420 nan 0.000 0.266 313 P C -0.956 176.731 177.300 0.646 0.000 1.162 313 P CA 0.186 63.630 63.100 0.573 0.000 0.758 313 P CB 0.447 32.459 31.700 0.520 0.000 0.774 314 R N 1.988 122.797 120.500 0.515 0.000 2.500 314 R HA 0.382 4.722 4.340 -0.001 0.000 0.275 314 R C -0.040 176.452 176.300 0.320 0.000 1.051 314 R CA -0.949 55.386 56.100 0.392 0.000 1.088 314 R CB 0.794 31.173 30.300 0.132 0.000 1.063 314 R HN 0.284 nan 8.270 nan 0.000 0.511 315 K N 1.548 121.988 120.400 0.067 0.000 2.448 315 K HA -0.035 4.285 4.320 -0.001 0.000 0.278 315 K C -0.532 176.006 176.600 -0.104 0.000 1.009 315 K CA 0.335 56.339 56.287 -0.471 0.000 0.995 315 K CB 0.320 32.504 32.500 -0.527 0.000 0.917 315 K HN 0.508 nan 8.250 nan 0.000 0.481 316 F N 3.835 123.630 119.950 -0.258 0.000 2.764 316 F HA 0.166 4.693 4.527 -0.001 0.000 0.310 316 F C -0.841 175.024 175.800 0.108 0.000 1.124 316 F CA -0.743 57.238 58.000 -0.032 0.000 1.252 316 F CB 0.386 39.373 39.000 -0.021 0.000 1.010 316 F HN 0.465 nan 8.300 nan 0.000 0.518 317 Y N -0.957 119.358 120.300 0.024 0.000 2.567 317 Y HA 0.816 5.365 4.550 -0.001 0.000 0.333 317 Y C -0.670 175.279 175.900 0.082 0.000 1.106 317 Y CA -1.373 56.785 58.100 0.097 0.000 1.157 317 Y CB 0.804 39.340 38.460 0.126 0.000 1.277 317 Y HN 0.033 nan 8.280 nan 0.000 0.490 318 E N 1.586 121.946 120.200 0.268 0.000 2.336 318 E HA 0.421 4.771 4.350 -0.001 0.000 0.267 318 E C -1.726 175.000 176.600 0.211 0.000 0.906 318 E CA -1.257 55.233 56.400 0.150 0.000 0.781 318 E CB 2.436 32.194 29.700 0.096 0.000 1.261 318 E HN 0.394 nan 8.360 nan 0.000 0.436 319 L N 2.849 124.167 121.223 0.159 0.000 2.305 319 L HA 0.186 4.525 4.340 -0.001 0.000 0.281 319 L C 0.193 177.117 176.870 0.090 0.000 1.085 319 L CA -0.055 54.871 54.840 0.142 0.000 0.813 319 L CB 0.241 42.382 42.059 0.136 0.000 1.157 319 L HN 0.602 nan 8.230 nan 0.000 0.436 320 D N 2.196 122.639 120.400 0.071 0.000 2.511 320 D HA 0.311 4.951 4.640 -0.001 0.000 0.276 320 D C 1.056 177.381 176.300 0.041 0.000 1.220 320 D CA 0.039 54.066 54.000 0.046 0.000 1.077 320 D CB 0.450 41.268 40.800 0.030 0.000 1.126 320 D HN 0.442 nan 8.370 nan 0.000 0.583 321 A N -0.270 122.567 122.820 0.030 0.000 1.986 321 A HA -0.218 4.101 4.320 -0.001 0.000 0.220 321 A C 1.533 179.134 177.584 0.029 0.000 1.171 321 A CA 1.422 53.476 52.037 0.027 0.000 0.640 321 A CB -0.788 18.223 19.000 0.019 0.000 0.811 321 A HN 0.578 nan 8.150 nan 0.000 0.451 322 N N -0.788 117.928 118.700 0.027 0.000 2.314 322 N HA 0.197 4.936 4.740 -0.001 0.000 0.200 322 N C 1.066 176.597 175.510 0.035 0.000 1.135 322 N CA 0.894 53.960 53.050 0.027 0.000 0.835 322 N CB 0.315 38.813 38.487 0.020 0.000 0.989 322 N HN 0.629 nan 8.380 nan 0.000 0.478 323 G N 0.578 109.405 108.800 0.046 0.000 2.166 323 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.260 323 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.260 323 G C -0.012 174.923 174.900 0.060 0.000 0.986 323 G CA 0.112 45.249 45.100 0.062 0.000 0.683 323 G HN 0.233 nan 8.290 nan 0.000 0.527 324 Q N 0.589 120.410 119.800 0.035 0.000 2.293 324 Q HA 0.415 4.755 4.340 -0.001 0.000 0.251 324 Q C -2.116 173.884 176.000 -0.001 0.000 0.930 324 Q CA -2.235 53.569 55.803 0.001 0.000 0.893 324 Q CB 1.230 29.959 28.738 -0.015 0.000 1.215 324 Q HN 0.332 nan 8.270 nan 0.000 0.425 325 P HA 0.201 nan 4.420 nan 0.000 0.271 325 P C -0.440 176.840 177.300 -0.032 0.000 1.220 325 P CA 0.083 63.126 63.100 -0.095 0.000 0.768 325 P CB 0.499 31.810 31.700 -0.649 0.000 0.848 326 I N 0.392 121.031 120.570 0.113 0.000 3.191 326 I HA 0.682 4.851 4.170 -0.001 0.000 0.313 326 I C -0.812 175.450 176.117 0.242 0.000 1.193 326 I CA -1.108 60.253 61.300 0.102 0.000 0.968 326 I CB 2.729 40.747 38.000 0.029 0.000 1.262 326 I HN 0.420 nan 8.210 nan 0.000 0.456 327 H N 0.872 120.026 119.070 0.141 0.000 3.046 327 H HA 0.326 4.881 4.556 -0.001 0.000 0.361 327 H C -2.234 173.226 175.328 0.221 0.000 1.235 327 H CA -0.769 55.396 56.048 0.196 0.000 1.146 327 H CB 1.319 31.237 29.762 0.260 0.000 1.859 327 H HN 0.804 nan 8.280 nan 0.000 0.548 328 Y N 1.933 122.358 120.300 0.208 0.000 2.377 328 Y HA 0.249 4.799 4.550 -0.001 0.000 0.330 328 Y C 0.163 176.296 175.900 0.389 0.000 1.108 328 Y CA -0.052 58.173 58.100 0.207 0.000 1.308 328 Y CB 1.066 39.652 38.460 0.210 0.000 1.216 328 Y HN 0.649 nan 8.280 nan 0.000 0.518 329 S N 8.363 123.894 115.700 -0.282 0.000 2.416 329 S HA 0.279 4.749 4.470 -0.001 0.000 0.287 329 S C -1.829 172.390 174.600 -0.636 0.000 1.139 329 S CA -1.570 56.526 58.200 -0.174 0.000 1.058 329 S CB 0.503 63.696 63.200 -0.013 0.000 0.967 329 S HN 0.650 nan 8.310 nan 0.000 0.495 330 P HA 0.051 nan 4.420 nan 0.000 0.242 330 P C -0.014 176.873 177.300 -0.688 0.000 1.197 330 P CA 0.619 63.329 63.100 -0.651 0.000 0.765 330 P CB -0.066 31.099 31.700 -0.891 0.000 0.936 331 Y N 0.762 120.922 120.300 -0.234 0.000 2.441 331 Y HA 0.063 4.613 4.550 -0.001 0.000 0.288 331 Y C 1.848 177.695 175.900 -0.088 0.000 1.118 331 Y CA 1.075 59.077 58.100 -0.163 0.000 1.215 331 Y CB -0.594 37.781 38.460 -0.142 0.000 1.118 331 Y HN 0.098 nan 8.280 nan 0.000 0.547 332 N N -1.711 117.009 118.700 0.033 0.000 2.118 332 N HA 0.198 4.937 4.740 -0.001 0.000 0.226 332 N C 1.217 176.712 175.510 -0.026 0.000 1.305 332 N CA 0.574 53.636 53.050 0.020 0.000 0.890 332 N CB 0.684 39.195 38.487 0.040 0.000 1.118 332 N HN 0.229 nan 8.380 nan 0.000 0.511 333 G N -0.025 108.684 108.800 -0.152 0.000 2.184 333 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.264 333 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.264 333 G C -0.277 174.647 174.900 0.040 0.000 0.975 333 G CA 0.625 45.664 45.100 -0.103 0.000 0.642 333 G HN 0.542 nan 8.290 nan 0.000 0.536 334 Q N -0.694 119.095 119.800 -0.018 0.000 2.256 334 Q HA 0.620 4.960 4.340 -0.001 0.000 0.232 334 Q C 0.040 176.059 176.000 0.031 0.000 0.965 334 Q CA -0.706 55.117 55.803 0.033 0.000 0.908 334 Q CB 2.030 30.771 28.738 0.004 0.000 1.209 334 Q HN 0.169 nan 8.270 nan 0.000 0.489 335 V N 2.675 122.614 119.914 0.042 0.000 2.383 335 V HA 0.380 4.500 4.120 -0.001 0.000 0.275 335 V C -0.280 175.747 176.094 -0.112 0.000 1.036 335 V CA -0.295 62.006 62.300 0.002 0.000 0.889 335 V CB 0.347 32.196 31.823 0.044 0.000 0.985 335 V HN 0.502 nan 8.190 nan 0.000 0.459 336 L N 6.692 127.732 121.223 -0.305 0.000 2.327 336 L HA 0.648 4.988 4.340 -0.001 0.000 0.258 336 L C -2.479 174.181 176.870 -0.349 0.000 1.024 336 L CA -2.120 52.537 54.840 -0.306 0.000 0.825 336 L CB 2.983 44.886 42.059 -0.261 0.000 1.386 336 L HN 0.372 nan 8.230 nan 0.000 0.417 337 P HA 0.330 nan 4.420 nan 0.000 0.274 337 P C -0.100 177.233 177.300 0.055 0.000 1.231 337 P CA 0.303 63.372 63.100 -0.051 0.000 0.790 337 P CB 1.144 32.825 31.700 -0.031 0.000 0.951 338 G N 0.369 109.180 108.800 0.019 0.000 2.612 338 G HA2 -0.104 3.855 3.960 -0.001 0.000 0.686 338 G HA3 -0.104 3.855 3.960 -0.001 0.000 0.686 338 G C -1.313 173.577 174.900 -0.017 0.000 1.274 338 G CA -0.969 44.109 45.100 -0.036 0.000 0.849 338 G HN 0.306 nan 8.290 nan 0.000 0.595 339 Y N -0.819 119.477 120.300 -0.007 0.000 2.426 339 Y HA 0.622 5.171 4.550 -0.001 0.000 0.344 339 Y C 1.011 176.871 175.900 -0.067 0.000 1.256 339 Y CA 0.659 58.690 58.100 -0.115 0.000 1.451 339 Y CB 1.270 39.715 38.460 -0.024 0.000 1.342 339 Y HN 0.854 nan 8.280 nan 0.000 0.600 340 M N 2.649 122.389 119.600 0.234 0.000 2.325 340 M HA 0.518 4.998 4.480 -0.001 0.000 0.285 340 M C -2.433 174.049 176.300 0.303 0.000 1.119 340 M CA -0.596 54.799 55.300 0.158 0.000 0.959 340 M CB 1.022 33.478 32.600 -0.241 0.000 1.737 340 M HN 0.372 nan 8.290 nan 0.000 0.486 341 F N 1.114 121.230 119.950 0.278 0.000 2.611 341 F HA 0.934 5.461 4.527 -0.001 0.000 0.324 341 F C 0.294 176.199 175.800 0.176 0.000 1.061 341 F CA -0.377 57.796 58.000 0.289 0.000 0.954 341 F CB 2.571 41.739 39.000 0.281 0.000 1.301 341 F HN 0.653 nan 8.300 nan 0.000 0.482 342 T N -0.928 113.824 114.554 0.330 0.000 2.711 342 T HA 0.381 4.730 4.350 -0.001 0.000 0.302 342 T C -1.931 172.925 174.700 0.261 0.000 1.373 342 T CA -0.471 61.712 62.100 0.137 0.000 1.000 342 T CB 1.061 69.773 68.868 -0.260 0.000 1.483 342 T HN 0.616 nan 8.240 nan 0.000 0.499 343 D N 0.690 121.228 120.400 0.231 0.000 2.798 343 D HA -0.089 4.551 4.640 -0.001 0.000 0.237 343 D C -0.546 175.940 176.300 0.310 0.000 1.092 343 D CA 1.460 55.703 54.000 0.406 0.000 0.727 343 D CB -1.369 39.774 40.800 0.571 0.000 1.087 343 D HN 0.633 nan 8.370 nan 0.000 0.437 344 T N -1.176 113.350 114.554 -0.046 0.000 2.923 344 T HA 0.627 4.976 4.350 -0.001 0.000 0.311 344 T C -0.431 173.549 174.700 -1.200 0.000 1.183 344 T CA 0.043 61.921 62.100 -0.370 0.000 1.020 344 T CB 1.751 70.643 68.868 0.040 0.000 1.165 344 T HN 0.156 nan 8.240 nan 0.000 0.482 345 G N 2.484 110.353 108.800 -1.551 0.000 2.437 345 G HA2 0.545 4.505 3.960 -0.001 0.000 0.315 345 G HA3 0.545 4.505 3.960 -0.001 0.000 0.315 345 G C 0.344 174.965 174.900 -0.465 0.000 1.210 345 G CA -0.555 43.460 45.100 -1.808 0.000 0.943 345 G HN 0.611 nan 8.290 nan 0.000 0.471 346 F N 1.023 120.881 119.950 -0.154 0.000 2.293 346 F HA 0.068 4.595 4.527 -0.001 0.000 0.300 346 F C 2.027 178.012 175.800 0.309 0.000 1.086 346 F CA -0.193 57.865 58.000 0.097 0.000 1.375 346 F CB -0.356 38.682 39.000 0.063 0.000 1.045 346 F HN 0.754 nan 8.300 nan 0.000 0.516 347 W N 1.593 123.085 121.300 0.319 0.000 2.331 347 W HA -0.229 4.431 4.660 -0.001 0.000 0.291 347 W C 1.821 178.512 176.519 0.286 0.000 1.214 347 W CA 1.951 59.529 57.345 0.387 0.000 1.228 347 W CB -0.168 29.482 29.460 0.316 0.000 1.135 347 W HN -0.093 nan 8.180 nan 0.000 0.537 348 D N -1.462 119.124 120.400 0.310 0.000 2.202 348 D HA -0.087 4.553 4.640 -0.001 0.000 0.214 348 D C 2.120 178.389 176.300 -0.052 0.000 0.967 348 D CA 2.377 56.424 54.000 0.078 0.000 0.871 348 D CB -0.606 40.323 40.800 0.216 0.000 1.020 348 D HN 0.225 nan 8.370 nan 0.000 0.474 349 T N -0.989 113.649 114.554 0.139 0.000 3.086 349 T HA 0.040 4.390 4.350 -0.001 0.000 0.250 349 T C 1.816 176.698 174.700 0.303 0.000 1.074 349 T CA -0.338 61.903 62.100 0.234 0.000 0.988 349 T CB -0.651 68.461 68.868 0.406 0.000 0.988 349 T HN 0.198 nan 8.240 nan 0.000 0.530 350 F N 2.322 122.367 119.950 0.158 0.000 2.325 350 F HA 0.219 4.746 4.527 -0.001 0.000 0.299 350 F C 2.221 177.997 175.800 -0.039 0.000 1.090 350 F CA -0.107 57.900 58.000 0.011 0.000 1.392 350 F CB -0.392 38.550 39.000 -0.096 0.000 1.053 350 F HN -0.061 nan 8.300 nan 0.000 0.521 351 R N 0.671 120.578 120.500 -0.988 0.000 2.070 351 R HA -0.110 4.230 4.340 -0.001 0.000 0.233 351 R C 1.936 178.041 176.300 -0.326 0.000 1.137 351 R CA 2.050 57.644 56.100 -0.843 0.000 0.945 351 R CB -0.972 28.879 30.300 -0.749 0.000 0.845 351 R HN 0.654 nan 8.270 nan 0.000 0.430 352 C N -2.842 116.388 119.300 -0.116 0.000 4.491 352 C HA 0.337 4.796 4.460 -0.001 0.000 0.458 352 C C 1.995 177.122 174.990 0.228 0.000 1.644 352 C CA -0.827 58.164 59.018 -0.046 0.000 2.151 352 C CB -0.549 27.081 27.740 -0.183 0.000 3.250 352 C HN 0.349 nan 8.230 nan 0.000 0.648 353 L N 1.041 122.387 121.223 0.205 0.000 2.017 353 L HA 0.081 4.421 4.340 -0.001 0.000 0.208 353 L C 2.155 179.120 176.870 0.159 0.000 1.073 353 L CA 2.317 57.272 54.840 0.191 0.000 0.745 353 L CB -1.083 41.055 42.059 0.131 0.000 0.894 353 L HN 0.375 nan 8.230 nan 0.000 0.432 354 F N 0.513 120.563 119.950 0.166 0.000 2.206 354 F HA -0.026 4.500 4.527 -0.001 0.000 0.298 354 F C -0.287 175.615 175.800 0.169 0.000 1.090 354 F CA 1.106 59.194 58.000 0.146 0.000 1.323 354 F CB -1.716 37.327 39.000 0.071 0.000 1.028 354 F HN 0.177 nan 8.300 nan 0.000 0.492 355 P HA -0.206 nan 4.420 nan 0.000 0.217 355 P C 1.865 179.472 177.300 0.511 0.000 1.148 355 P CA 1.188 64.480 63.100 0.320 0.000 0.828 355 P CB -0.032 31.755 31.700 0.146 0.000 0.783 356 L N -1.173 120.375 121.223 0.542 0.000 2.093 356 L HA -0.105 4.234 4.340 -0.001 0.000 0.208 356 L C 2.093 179.185 176.870 0.370 0.000 1.085 356 L CA 1.658 56.739 54.840 0.401 0.000 0.755 356 L CB -1.202 40.970 42.059 0.188 0.000 0.904 356 L HN -0.121 nan 8.230 nan 0.000 0.435 357 L N -0.520 120.913 121.223 0.350 0.000 2.046 357 L HA -0.238 4.101 4.340 -0.001 0.000 0.208 357 L C 2.159 179.233 176.870 0.340 0.000 1.077 357 L CA 1.940 57.002 54.840 0.370 0.000 0.747 357 L CB -0.847 41.322 42.059 0.183 0.000 0.896 357 L HN 0.415 nan 8.230 nan 0.000 0.432 358 N N -0.250 118.643 118.700 0.322 0.000 2.223 358 N HA -0.197 4.543 4.740 -0.001 0.000 0.185 358 N C 1.719 177.507 175.510 0.465 0.000 1.016 358 N CA 0.648 53.883 53.050 0.308 0.000 0.863 358 N CB 0.011 38.626 38.487 0.212 0.000 0.983 358 N HN 0.146 nan 8.380 nan 0.000 0.429 359 L N 0.045 121.564 121.223 0.494 0.000 2.068 359 L HA 0.078 4.417 4.340 -0.001 0.000 0.204 359 L C 1.565 178.712 176.870 0.463 0.000 1.076 359 L CA 1.578 56.736 54.840 0.531 0.000 0.753 359 L CB -0.003 42.325 42.059 0.448 0.000 0.910 359 L HN 0.145 nan 8.230 nan 0.000 0.439 360 M N -2.318 117.390 119.600 0.180 0.000 2.379 360 M HA 0.184 4.663 4.480 -0.001 0.000 0.265 360 M C -0.098 175.849 176.300 -0.588 0.000 1.095 360 M CA 0.516 55.665 55.300 -0.251 0.000 1.075 360 M CB 0.083 32.317 32.600 -0.610 0.000 1.443 360 M HN 0.160 nan 8.290 nan 0.000 0.519 361 Y N -0.271 120.153 120.300 0.206 0.000 2.614 361 Y HA 0.302 4.851 4.550 -0.001 0.000 0.296 361 Y C -1.677 174.264 175.900 0.068 0.000 0.942 361 Y CA -1.754 56.427 58.100 0.136 0.000 1.111 361 Y CB -0.367 38.196 38.460 0.171 0.000 1.182 361 Y HN 0.038 nan 8.280 nan 0.000 0.624 362 P HA -0.185 nan 4.420 nan 0.000 0.216 362 P C 1.466 178.795 177.300 0.047 0.000 1.150 362 P CA 1.953 65.136 63.100 0.137 0.000 0.837 362 P CB 0.223 32.032 31.700 0.182 0.000 0.786 363 S N 0.053 115.778 115.700 0.042 0.000 2.374 363 S HA -0.140 4.329 4.470 -0.001 0.000 0.227 363 S C 2.137 176.684 174.600 -0.087 0.000 1.037 363 S CA 1.714 59.910 58.200 -0.006 0.000 1.024 363 S CB -1.890 61.324 63.200 0.023 0.000 0.861 363 S HN 0.007 nan 8.310 nan 0.000 0.456 364 V N 2.992 122.829 119.914 -0.128 0.000 2.358 364 V HA -0.131 3.989 4.120 -0.001 0.000 0.246 364 V C 2.586 178.448 176.094 -0.387 0.000 1.047 364 V CA 1.963 64.049 62.300 -0.357 0.000 1.035 364 V CB -1.072 30.316 31.823 -0.725 0.000 0.658 364 V HN 0.468 nan 8.190 nan 0.000 0.452 365 N N 0.573 119.138 118.700 -0.224 0.000 2.309 365 N HA -0.173 4.567 4.740 -0.001 0.000 0.182 365 N C 1.700 177.114 175.510 -0.160 0.000 1.018 365 N CA 1.268 54.222 53.050 -0.161 0.000 0.876 365 N CB -0.231 38.272 38.487 0.027 0.000 0.972 365 N HN 0.435 nan 8.380 nan 0.000 0.434 366 K N 1.292 121.610 120.400 -0.136 0.000 2.044 366 K HA -0.116 4.204 4.320 -0.001 0.000 0.210 366 K C 1.706 178.185 176.600 -0.201 0.000 1.049 366 K CA 1.632 57.846 56.287 -0.122 0.000 0.927 366 K CB -0.321 32.126 32.500 -0.088 0.000 0.713 366 K HN 0.283 nan 8.250 nan 0.000 0.443 367 E N -0.251 119.737 120.200 -0.354 0.000 2.058 367 E HA -0.202 4.148 4.350 -0.001 0.000 0.194 367 E C 2.115 178.519 176.600 -0.328 0.000 0.997 367 E CA 1.878 57.937 56.400 -0.568 0.000 0.801 367 E CB -0.166 29.186 29.700 -0.579 0.000 0.746 367 E HN 0.382 nan 8.360 nan 0.000 0.450 368 M N 0.439 119.673 119.600 -0.609 0.000 2.117 368 M HA -0.208 4.271 4.480 -0.001 0.000 0.262 368 M C 2.332 178.566 176.300 -0.110 0.000 1.065 368 M CA 1.278 56.203 55.300 -0.626 0.000 1.114 368 M CB -0.150 32.096 32.600 -0.589 0.000 1.361 368 M HN 0.011 nan 8.290 nan 0.000 0.408 369 Q N 0.387 120.134 119.800 -0.088 0.000 2.050 369 Q HA -0.140 4.200 4.340 -0.001 0.000 0.202 369 Q C 1.960 177.998 176.000 0.063 0.000 0.980 369 Q CA 1.277 57.066 55.803 -0.024 0.000 0.840 369 Q CB -0.544 28.166 28.738 -0.047 0.000 0.898 369 Q HN 0.512 nan 8.270 nan 0.000 0.424 370 E N 0.112 120.356 120.200 0.074 0.000 2.130 370 E HA -0.152 4.198 4.350 -0.001 0.000 0.196 370 E C 2.012 178.747 176.600 0.226 0.000 0.998 370 E CA 1.285 57.783 56.400 0.164 0.000 0.806 370 E CB -0.428 29.408 29.700 0.227 0.000 0.738 370 E HN 0.501 nan 8.360 nan 0.000 0.459 371 G N 1.245 110.205 108.800 0.267 0.000 2.418 371 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.217 371 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.217 371 G C 1.765 176.823 174.900 0.263 0.000 1.158 371 G CA 0.556 45.844 45.100 0.313 0.000 0.771 371 G HN 0.173 nan 8.290 nan 0.000 0.545 372 L N 0.426 121.807 121.223 0.264 0.000 2.046 372 L HA -0.078 4.262 4.340 -0.001 0.000 0.208 372 L C 2.823 179.940 176.870 0.411 0.000 1.077 372 L CA 0.474 55.519 54.840 0.342 0.000 0.747 372 L CB -0.397 41.821 42.059 0.265 0.000 0.896 372 L HN 0.119 nan 8.230 nan 0.000 0.432 373 I N 0.267 121.041 120.570 0.340 0.000 2.208 373 I HA -0.315 3.855 4.170 -0.001 0.000 0.245 373 I C 2.058 178.282 176.117 0.179 0.000 1.097 373 I CA 1.801 63.268 61.300 0.277 0.000 1.363 373 I CB -1.326 36.795 38.000 0.202 0.000 1.051 373 I HN 0.406 nan 8.210 nan 0.000 0.413 374 N N -0.096 118.705 118.700 0.169 0.000 2.188 374 N HA -0.137 4.602 4.740 -0.001 0.000 0.184 374 N C 1.673 177.221 175.510 0.062 0.000 1.018 374 N CA 1.638 54.769 53.050 0.135 0.000 0.858 374 N CB -0.028 38.559 38.487 0.167 0.000 0.989 374 N HN 0.311 nan 8.380 nan 0.000 0.426 375 T N -0.021 114.555 114.554 0.036 0.000 2.720 375 T HA -0.209 4.141 4.350 -0.001 0.000 0.268 375 T C 1.564 176.091 174.700 -0.288 0.000 1.037 375 T CA 1.105 63.056 62.100 -0.248 0.000 1.144 375 T CB -0.447 68.298 68.868 -0.205 0.000 0.864 375 T HN 0.335 nan 8.240 nan 0.000 0.444 376 Y N 1.756 121.868 120.300 -0.314 0.000 2.145 376 Y HA -0.034 4.515 4.550 -0.001 0.000 0.286 376 Y C 2.008 177.711 175.900 -0.327 0.000 1.145 376 Y CA 1.006 58.815 58.100 -0.486 0.000 1.148 376 Y CB -0.566 37.341 38.460 -0.921 0.000 0.981 376 Y HN 0.120 nan 8.280 nan 0.000 0.507 377 L N -0.066 121.013 121.223 -0.241 0.000 2.046 377 L HA -0.222 4.117 4.340 -0.001 0.000 0.208 377 L C 2.129 178.863 176.870 -0.225 0.000 1.077 377 L CA 2.005 56.697 54.840 -0.247 0.000 0.747 377 L CB -0.519 41.506 42.059 -0.056 0.000 0.896 377 L HN 0.286 nan 8.230 nan 0.000 0.432 378 E N -0.727 119.391 120.200 -0.138 0.000 2.299 378 E HA -0.081 4.268 4.350 -0.001 0.000 0.193 378 E C 2.028 178.591 176.600 -0.062 0.000 0.998 378 E CA 1.102 57.469 56.400 -0.054 0.000 0.851 378 E CB 0.192 29.938 29.700 0.076 0.000 0.795 378 E HN 0.514 nan 8.360 nan 0.000 0.492 379 S N -1.700 113.905 115.700 -0.159 0.000 2.564 379 S HA 0.325 4.795 4.470 -0.001 0.000 0.231 379 S C 1.736 176.339 174.600 0.005 0.000 1.067 379 S CA 0.246 58.443 58.200 -0.005 0.000 0.908 379 S CB 0.955 64.130 63.200 -0.041 0.000 0.809 379 S HN 0.313 nan 8.310 nan 0.000 0.491 380 G N 0.635 109.236 108.800 -0.332 0.000 2.234 380 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.235 380 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.235 380 G C -0.113 174.377 174.900 -0.684 0.000 0.997 380 G CA 0.162 44.902 45.100 -0.600 0.000 0.623 380 G HN 0.494 nan 8.290 nan 0.000 0.514 381 F N -0.450 119.410 119.950 -0.149 0.000 2.603 381 F HA 0.809 5.335 4.527 -0.001 0.000 0.317 381 F C 0.108 175.965 175.800 0.095 0.000 1.066 381 F CA -1.503 56.539 58.000 0.069 0.000 0.941 381 F CB 1.092 40.119 39.000 0.044 0.000 1.291 381 F HN -0.065 nan 8.300 nan 0.000 0.472 382 F N 3.131 123.330 119.950 0.415 0.000 2.410 382 F HA 0.381 4.907 4.527 -0.001 0.000 0.334 382 F C -1.847 174.155 175.800 0.336 0.000 1.134 382 F CA -2.159 56.012 58.000 0.285 0.000 1.227 382 F CB 0.201 39.287 39.000 0.144 0.000 1.194 382 F HN 0.099 nan 8.300 nan 0.000 0.571 383 P HA 0.177 nan 4.420 nan 0.000 0.279 383 P C -0.517 177.009 177.300 0.377 0.000 1.252 383 P CA -0.175 63.229 63.100 0.507 0.000 0.811 383 P CB 1.833 33.759 31.700 0.377 0.000 1.035 384 E N 0.442 120.788 120.200 0.243 0.000 2.476 384 E HA 0.094 4.444 4.350 -0.001 0.000 0.193 384 E C -0.230 176.345 176.600 -0.041 0.000 0.966 384 E CA 0.771 57.286 56.400 0.193 0.000 1.114 384 E CB -0.091 29.763 29.700 0.257 0.000 1.151 384 E HN 0.495 nan 8.360 nan 0.000 0.487 385 W N 0.719 122.037 121.300 0.030 0.000 2.475 385 W HA 0.576 5.235 4.660 -0.001 0.000 0.317 385 W C -0.894 175.625 176.519 -0.000 0.000 1.046 385 W CA -0.375 56.963 57.345 -0.012 0.000 1.215 385 W CB 1.590 31.064 29.460 0.023 0.000 1.335 385 W HN -0.004 nan 8.180 nan 0.000 0.471 386 A N 3.406 126.468 122.820 0.403 0.000 2.353 386 A HA 0.688 5.008 4.320 -0.001 0.000 0.299 386 A C -1.097 176.631 177.584 0.239 0.000 1.089 386 A CA -0.525 51.650 52.037 0.230 0.000 0.736 386 A CB 1.779 20.840 19.000 0.101 0.000 1.195 386 A HN 0.316 nan 8.150 nan 0.000 0.447 387 S N 4.410 120.130 115.700 0.033 0.000 2.706 387 S HA 0.565 5.035 4.470 -0.001 0.000 0.270 387 S C -1.883 172.446 174.600 -0.451 0.000 1.163 387 S CA -0.852 57.313 58.200 -0.058 0.000 1.042 387 S CB 1.512 64.772 63.200 0.099 0.000 1.079 387 S HN 0.445 nan 8.310 nan 0.000 0.474 388 P HA -0.141 nan 4.420 nan 0.000 0.222 388 P C 1.008 177.814 177.300 -0.822 0.000 1.157 388 P CA 1.891 64.410 63.100 -0.968 0.000 0.905 388 P CB -0.358 30.529 31.700 -1.356 0.000 0.792 389 G N -1.467 106.869 108.800 -0.772 0.000 2.531 389 G HA2 0.201 4.160 3.960 -0.001 0.000 0.281 389 G HA3 0.201 4.160 3.960 -0.001 0.000 0.281 389 G C -0.478 174.226 174.900 -0.327 0.000 1.382 389 G CA -0.441 44.158 45.100 -0.835 0.000 1.045 389 G HN 0.191 nan 8.290 nan 0.000 0.533 390 H N 0.795 119.869 119.070 0.008 0.000 2.964 390 H HA 0.221 4.776 4.556 -0.001 0.000 0.328 390 H C 0.359 175.634 175.328 -0.087 0.000 1.030 390 H CA 0.480 56.533 56.048 0.009 0.000 1.445 390 H CB 0.519 30.215 29.762 -0.109 0.000 1.449 390 H HN 0.147 nan 8.280 nan 0.000 0.581 391 R N 1.361 121.923 120.500 0.103 0.000 2.803 391 R HA 0.354 4.694 4.340 -0.001 0.000 0.276 391 R C 0.290 176.599 176.300 0.014 0.000 0.978 391 R CA -0.998 55.102 56.100 0.000 0.000 0.939 391 R CB 2.062 32.326 30.300 -0.061 0.000 1.179 391 R HN 0.768 nan 8.270 nan 0.000 0.472 392 G N 0.585 109.358 108.800 -0.045 0.000 2.457 392 G HA2 0.397 4.356 3.960 -0.001 0.000 0.316 392 G HA3 0.397 4.356 3.960 -0.001 0.000 0.316 392 G C -0.668 174.197 174.900 -0.057 0.000 1.030 392 G CA -0.134 44.948 45.100 -0.030 0.000 1.073 392 G HN 0.449 nan 8.290 nan 0.000 0.430 393 C N 5.085 124.378 119.300 -0.012 0.000 2.811 393 C HA 0.706 5.166 4.460 -0.001 0.000 0.352 393 C C -0.107 174.936 174.990 0.088 0.000 1.098 393 C CA -0.527 58.450 59.018 -0.069 0.000 1.295 393 C CB 0.498 27.996 27.740 -0.403 0.000 1.758 393 C HN 0.971 nan 8.230 nan 0.000 0.488 394 M N 2.966 122.533 119.600 -0.055 0.000 7.319 394 M HA -0.137 4.343 4.480 -0.001 0.000 0.112 394 M C -0.150 176.103 176.300 -0.079 0.000 0.480 394 M CA 1.671 56.848 55.300 -0.205 0.000 1.311 394 M CB -2.107 30.349 32.600 -0.239 0.000 0.421 394 M HN 1.528 nan 8.290 nan 0.000 0.576 395 V N -3.119 116.748 119.914 -0.079 0.000 3.165 395 V HA 1.048 5.167 4.120 -0.001 0.000 0.309 395 V C 0.219 176.504 176.094 0.318 0.000 1.267 395 V CA 0.562 62.922 62.300 0.100 0.000 1.067 395 V CB 1.228 33.071 31.823 0.034 0.000 1.082 395 V HN 2.684 nan 8.190 nan 0.000 0.451 396 G N 1.231 110.191 108.800 0.267 0.000 2.707 396 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.686 396 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.686 396 G C -0.616 174.516 174.900 0.387 0.000 1.315 396 G CA 0.129 45.434 45.100 0.342 0.000 0.832 396 G HN 1.890 nan 8.290 nan 0.000 0.573 397 N N 0.045 118.948 118.700 0.339 0.000 2.598 397 N HA 0.176 4.915 4.740 -0.001 0.000 0.309 397 N C 1.005 176.529 175.510 0.023 0.000 1.645 397 N CA -0.056 53.099 53.050 0.176 0.000 0.936 397 N CB -0.425 38.103 38.487 0.068 0.000 1.323 397 N HN 0.497 nan 8.380 nan 0.000 0.497 398 N N -1.188 117.533 118.700 0.034 0.000 2.521 398 N HA -0.087 4.653 4.740 -0.001 0.000 0.188 398 N C 1.534 176.866 175.510 -0.297 0.000 1.146 398 N CA 0.532 53.452 53.050 -0.217 0.000 0.893 398 N CB 0.281 38.599 38.487 -0.283 0.000 0.975 398 N HN 0.305 nan 8.380 nan 0.000 0.451 399 S N 0.327 115.918 115.700 -0.182 0.000 2.400 399 S HA -0.181 4.289 4.470 -0.001 0.000 0.232 399 S C 2.124 176.385 174.600 -0.564 0.000 1.025 399 S CA 0.890 58.810 58.200 -0.467 0.000 0.993 399 S CB -0.420 62.719 63.200 -0.102 0.000 0.808 399 S HN 0.371 nan 8.310 nan 0.000 0.478 400 A N 1.593 124.159 122.820 -0.423 0.000 1.933 400 A HA -0.045 4.275 4.320 -0.001 0.000 0.218 400 A C 2.461 179.753 177.584 -0.487 0.000 1.175 400 A CA 1.924 53.687 52.037 -0.456 0.000 0.628 400 A CB -1.309 17.455 19.000 -0.393 0.000 0.814 400 A HN 0.606 nan 8.150 nan 0.000 0.444 401 S N -0.446 114.952 115.700 -0.502 0.000 2.355 401 S HA -0.104 4.365 4.470 -0.001 0.000 0.222 401 S C 1.968 176.353 174.600 -0.359 0.000 1.031 401 S CA 1.250 59.198 58.200 -0.419 0.000 0.993 401 S CB -0.446 62.531 63.200 -0.371 0.000 0.859 401 S HN 0.396 nan 8.310 nan 0.000 0.453 402 I N 1.680 121.945 120.570 -0.509 0.000 2.118 402 I HA -0.198 3.971 4.170 -0.001 0.000 0.241 402 I C 2.408 178.207 176.117 -0.530 0.000 1.070 402 I CA 1.449 62.359 61.300 -0.649 0.000 1.327 402 I CB -1.363 35.890 38.000 -1.246 0.000 1.034 402 I HN 0.365 nan 8.210 nan 0.000 0.405 403 L N -0.111 120.770 121.223 -0.571 0.000 2.027 403 L HA -0.168 4.172 4.340 -0.001 0.000 0.206 403 L C 2.627 179.308 176.870 -0.315 0.000 1.074 403 L CA 0.892 55.446 54.840 -0.477 0.000 0.745 403 L CB -0.545 41.131 42.059 -0.638 0.000 0.898 403 L HN 0.016 nan 8.230 nan 0.000 0.433 404 V N -0.326 119.392 119.914 -0.327 0.000 2.379 404 V HA -0.273 3.847 4.120 -0.001 0.000 0.245 404 V C 2.140 178.138 176.094 -0.160 0.000 1.044 404 V CA 1.928 64.078 62.300 -0.250 0.000 1.036 404 V CB -0.436 31.196 31.823 -0.318 0.000 0.664 404 V HN 0.473 nan 8.190 nan 0.000 0.453 405 D N 0.528 120.829 120.400 -0.166 0.000 2.123 405 D HA -0.167 4.473 4.640 -0.001 0.000 0.196 405 D C 2.122 178.360 176.300 -0.103 0.000 0.992 405 D CA 1.651 55.583 54.000 -0.114 0.000 0.833 405 D CB -0.122 40.629 40.800 -0.081 0.000 0.954 405 D HN 0.358 nan 8.370 nan 0.000 0.455 406 A N -0.693 122.067 122.820 -0.101 0.000 1.858 406 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 406 A C 2.308 179.859 177.584 -0.056 0.000 1.190 406 A CA 1.658 53.654 52.037 -0.068 0.000 0.617 406 A CB -1.426 17.529 19.000 -0.076 0.000 0.827 406 A HN 0.504 nan 8.150 nan 0.000 0.443 407 Y N -0.135 120.071 120.300 -0.157 0.000 2.145 407 Y HA -0.201 4.348 4.550 -0.001 0.000 0.286 407 Y C 2.311 178.126 175.900 -0.141 0.000 1.145 407 Y CA 2.123 60.140 58.100 -0.138 0.000 1.148 407 Y CB -0.147 38.221 38.460 -0.154 0.000 0.981 407 Y HN 0.207 nan 8.280 nan 0.000 0.507 408 M N 0.250 119.877 119.600 0.045 0.000 2.446 408 M HA -0.150 4.330 4.480 -0.001 0.000 0.263 408 M C 1.061 177.256 176.300 -0.174 0.000 1.066 408 M CA 1.497 56.765 55.300 -0.054 0.000 1.087 408 M CB -0.631 31.917 32.600 -0.085 0.000 1.406 408 M HN 0.235 nan 8.290 nan 0.000 0.459 409 K N -0.449 119.819 120.400 -0.220 0.000 2.397 409 K HA 0.329 4.649 4.320 -0.001 0.000 0.202 409 K C 0.927 177.403 176.600 -0.207 0.000 1.022 409 K CA 0.487 56.560 56.287 -0.357 0.000 1.141 409 K CB 0.588 32.785 32.500 -0.503 0.000 0.857 409 K HN 0.454 nan 8.250 nan 0.000 0.514 410 G N 0.960 109.651 108.800 -0.183 0.000 2.176 410 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.232 410 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.232 410 G C 0.111 174.942 174.900 -0.114 0.000 0.986 410 G CA -0.214 44.808 45.100 -0.130 0.000 0.643 410 G HN 0.121 nan 8.290 nan 0.000 0.522 411 V N 1.776 121.623 119.914 -0.113 0.000 2.284 411 V HA 0.430 4.550 4.120 -0.001 0.000 0.260 411 V C 0.355 176.383 176.094 -0.110 0.000 1.084 411 V CA -0.083 62.173 62.300 -0.073 0.000 0.894 411 V CB 0.797 32.606 31.823 -0.024 0.000 1.119 411 V HN 0.314 nan 8.190 nan 0.000 0.484 412 K N 3.500 123.821 120.400 -0.132 0.000 2.274 412 K HA 0.585 4.904 4.320 -0.001 0.000 0.262 412 K C -0.155 176.446 176.600 0.002 0.000 0.961 412 K CA -0.648 55.569 56.287 -0.116 0.000 0.833 412 K CB 2.306 34.636 32.500 -0.283 0.000 1.102 412 K HN 0.537 nan 8.250 nan 0.000 0.436 413 V N -0.391 119.566 119.914 0.071 0.000 3.096 413 V HA 0.036 4.156 4.120 -0.001 0.000 0.306 413 V C 0.593 176.736 176.094 0.082 0.000 1.088 413 V CA -0.067 62.278 62.300 0.075 0.000 1.129 413 V CB 0.785 32.661 31.823 0.088 0.000 1.014 413 V HN 0.678 nan 8.190 nan 0.000 0.486 414 D N 0.515 120.960 120.400 0.075 0.000 2.097 414 D HA -0.075 4.564 4.640 -0.001 0.000 0.197 414 D C 0.898 177.237 176.300 0.066 0.000 0.984 414 D CA 1.733 55.773 54.000 0.065 0.000 0.826 414 D CB -0.166 40.671 40.800 0.062 0.000 0.973 414 D HN 0.846 nan 8.370 nan 0.000 0.460 415 D N 0.392 120.834 120.400 0.071 0.000 2.558 415 D HA 0.101 4.740 4.640 -0.001 0.000 0.221 415 D C 1.287 177.619 176.300 0.054 0.000 1.143 415 D CA -0.172 53.863 54.000 0.059 0.000 1.010 415 D CB -0.167 40.671 40.800 0.063 0.000 1.068 415 D HN 0.111 nan 8.370 nan 0.000 0.511 416 I N 1.620 122.218 120.570 0.047 0.000 2.394 416 I HA -0.198 3.972 4.170 -0.001 0.000 0.251 416 I C 2.452 178.563 176.117 -0.009 0.000 1.136 416 I CA 0.597 61.907 61.300 0.017 0.000 1.425 416 I CB -0.026 37.982 38.000 0.014 0.000 1.079 416 I HN 0.235 nan 8.210 nan 0.000 0.425 417 K N 0.987 121.387 120.400 -0.001 0.000 2.063 417 K HA -0.192 4.128 4.320 -0.001 0.000 0.208 417 K C 2.032 178.643 176.600 0.018 0.000 1.048 417 K CA 2.035 58.324 56.287 0.003 0.000 0.928 417 K CB -0.106 32.396 32.500 0.002 0.000 0.713 417 K HN 0.230 nan 8.250 nan 0.000 0.442 418 T N 1.981 116.543 114.554 0.014 0.000 2.821 418 T HA -0.134 4.216 4.350 -0.001 0.000 0.267 418 T C 1.640 176.286 174.700 -0.090 0.000 1.046 418 T CA 1.100 63.195 62.100 -0.008 0.000 1.139 418 T CB -0.180 68.714 68.868 0.042 0.000 0.871 418 T HN 0.188 nan 8.240 nan 0.000 0.454 419 L N 0.420 121.638 121.223 -0.007 0.000 2.017 419 L HA -0.055 4.284 4.340 -0.001 0.000 0.208 419 L C 2.103 178.945 176.870 -0.047 0.000 1.073 419 L CA 1.775 56.628 54.840 0.022 0.000 0.745 419 L CB -1.021 41.029 42.059 -0.016 0.000 0.894 419 L HN 0.261 nan 8.230 nan 0.000 0.432 420 Y N 0.546 120.742 120.300 -0.173 0.000 2.200 420 Y HA -0.179 4.371 4.550 -0.001 0.000 0.290 420 Y C 2.452 178.250 175.900 -0.171 0.000 1.137 420 Y CA 2.052 60.033 58.100 -0.199 0.000 1.163 420 Y CB -0.085 38.258 38.460 -0.196 0.000 0.988 420 Y HN 0.399 nan 8.280 nan 0.000 0.518 421 E N -0.711 119.442 120.200 -0.078 0.000 2.077 421 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 421 E C 2.431 178.857 176.600 -0.290 0.000 0.989 421 E CA 0.959 57.282 56.400 -0.128 0.000 0.800 421 E CB -0.578 29.093 29.700 -0.050 0.000 0.746 421 E HN 0.622 nan 8.360 nan 0.000 0.452 422 G N 1.666 110.110 108.800 -0.594 0.000 2.476 422 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.218 422 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.218 422 G C 1.605 176.367 174.900 -0.230 0.000 1.164 422 G CA 0.734 45.245 45.100 -0.981 0.000 0.768 422 G HN 0.083 nan 8.290 nan 0.000 0.560 423 L N 0.361 121.490 121.223 -0.158 0.000 2.012 423 L HA -0.122 4.218 4.340 -0.001 0.000 0.210 423 L C 2.867 179.559 176.870 -0.295 0.000 1.073 423 L CA 0.791 55.478 54.840 -0.255 0.000 0.748 423 L CB -0.381 41.388 42.059 -0.483 0.000 0.891 423 L HN 0.155 nan 8.230 nan 0.000 0.431 424 I N -0.943 119.398 120.570 -0.382 0.000 2.315 424 I HA -0.310 3.859 4.170 -0.001 0.000 0.248 424 I C 2.540 178.581 176.117 -0.128 0.000 1.117 424 I CA 1.511 62.662 61.300 -0.249 0.000 1.404 424 I CB -1.538 36.319 38.000 -0.239 0.000 1.071 424 I HN 0.460 nan 8.210 nan 0.000 0.419 425 H N 1.547 120.495 119.070 -0.204 0.000 2.387 425 H HA -0.121 4.434 4.556 -0.001 0.000 0.299 425 H C 2.088 177.292 175.328 -0.208 0.000 1.090 425 H CA 1.823 57.752 56.048 -0.198 0.000 1.332 425 H CB 0.045 29.699 29.762 -0.180 0.000 1.386 425 H HN 0.310 nan 8.280 nan 0.000 0.516 426 G N -0.331 108.418 108.800 -0.086 0.000 2.598 426 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.215 426 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.215 426 G C 1.733 176.524 174.900 -0.182 0.000 1.131 426 G CA 1.069 46.137 45.100 -0.052 0.000 0.785 426 G HN 0.602 nan 8.290 nan 0.000 0.539 427 T N -1.258 113.171 114.554 -0.210 0.000 3.081 427 T HA 0.087 4.437 4.350 -0.001 0.000 0.255 427 T C 1.405 175.919 174.700 -0.310 0.000 1.113 427 T CA 1.067 63.053 62.100 -0.191 0.000 1.082 427 T CB 0.034 68.901 68.868 -0.002 0.000 0.939 427 T HN 0.559 nan 8.240 nan 0.000 0.506 428 E N 0.428 120.303 120.200 -0.541 0.000 2.876 428 E HA 0.283 4.633 4.350 -0.001 0.000 0.208 428 E C -0.597 175.117 176.600 -1.477 0.000 0.981 428 E CA -0.762 55.048 56.400 -0.984 0.000 1.174 428 E CB 0.296 29.773 29.700 -0.372 0.000 1.047 428 E HN 0.281 nan 8.360 nan 0.000 0.477 429 N N 0.752 118.804 118.700 -1.081 0.000 2.329 429 N HA 0.344 5.084 4.740 -0.001 0.000 0.282 429 N C -1.856 173.589 175.510 -0.109 0.000 1.198 429 N CA -0.566 52.136 53.050 -0.579 0.000 0.790 429 N CB 2.926 41.101 38.487 -0.520 0.000 1.579 429 N HN 0.026 nan 8.380 nan 0.000 0.475 430 V N 0.725 120.710 119.914 0.119 0.000 2.735 430 V HA 0.312 4.431 4.120 -0.001 0.000 0.310 430 V C -0.594 175.493 176.094 -0.012 0.000 1.061 430 V CA -0.559 61.806 62.300 0.108 0.000 0.913 430 V CB 1.631 33.546 31.823 0.154 0.000 1.005 430 V HN 0.832 nan 8.190 nan 0.000 0.428 431 H N 7.579 126.327 119.070 -0.538 0.000 2.928 431 H HA 0.241 4.797 4.556 -0.001 0.000 0.338 431 H C -1.794 173.422 175.328 -0.188 0.000 1.047 431 H CA -0.275 55.395 56.048 -0.629 0.000 1.435 431 H CB 1.643 30.890 29.762 -0.857 0.000 1.428 431 H HN 0.526 nan 8.280 nan 0.000 0.590 432 P HA -0.123 nan 4.420 nan 0.000 0.218 432 P C 0.454 177.819 177.300 0.107 0.000 1.148 432 P CA 1.361 64.447 63.100 -0.023 0.000 0.822 432 P CB 0.395 32.041 31.700 -0.089 0.000 0.784 433 E N -2.038 118.358 120.200 0.328 0.000 2.399 433 E HA 0.096 4.446 4.350 -0.001 0.000 0.205 433 E C -0.089 176.570 176.600 0.098 0.000 0.906 433 E CA 0.132 56.653 56.400 0.201 0.000 0.998 433 E CB 0.527 30.336 29.700 0.181 0.000 1.002 433 E HN -0.130 nan 8.360 nan 0.000 0.501 434 V N 2.566 122.502 119.914 0.036 0.000 2.277 434 V HA 0.063 4.182 4.120 -0.001 0.000 0.269 434 V C 1.030 177.073 176.094 -0.085 0.000 1.036 434 V CA 0.206 62.419 62.300 -0.145 0.000 0.821 434 V CB 0.971 32.557 31.823 -0.393 0.000 1.052 434 V HN 0.279 nan 8.190 nan 0.000 0.462 435 S N 2.504 118.194 115.700 -0.017 0.000 2.507 435 S HA -0.114 4.355 4.470 -0.001 0.000 0.235 435 S C 1.691 176.305 174.600 0.023 0.000 0.988 435 S CA 1.089 59.297 58.200 0.014 0.000 0.944 435 S CB -0.190 63.030 63.200 0.034 0.000 0.762 435 S HN 0.856 nan 8.310 nan 0.000 0.526 436 S N -0.149 115.557 115.700 0.011 0.000 2.605 436 S HA 0.226 4.696 4.470 -0.001 0.000 0.217 436 S C 0.254 174.883 174.600 0.049 0.000 0.958 436 S CA -0.467 57.770 58.200 0.062 0.000 0.919 436 S CB -0.280 62.974 63.200 0.091 0.000 0.780 436 S HN 0.352 nan 8.310 nan 0.000 0.507 437 T N 2.365 116.878 114.554 -0.067 0.000 2.770 437 T HA 0.678 5.027 4.350 -0.001 0.000 0.283 437 T C 0.481 175.073 174.700 -0.179 0.000 0.988 437 T CA 0.298 62.293 62.100 -0.175 0.000 0.957 437 T CB 0.958 69.514 68.868 -0.520 0.000 0.930 437 T HN 0.824 nan 8.240 nan 0.000 0.443 438 G N 3.240 112.072 108.800 0.053 0.000 2.681 438 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.220 438 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.220 438 G C -0.868 174.090 174.900 0.096 0.000 1.353 438 G CA -0.937 44.268 45.100 0.174 0.000 0.872 438 G HN 0.782 nan 8.290 nan 0.000 0.557 439 R N -0.195 120.323 120.500 0.030 0.000 2.247 439 R HA 0.418 4.758 4.340 -0.001 0.000 0.329 439 R C 0.185 176.620 176.300 0.225 0.000 1.014 439 R CA -0.796 55.319 56.100 0.026 0.000 0.907 439 R CB 1.161 31.222 30.300 -0.398 0.000 1.146 439 R HN 0.552 nan 8.270 nan 0.000 0.499 440 L N 2.048 123.436 121.223 0.275 0.000 2.490 440 L HA 0.146 4.486 4.340 -0.001 0.000 0.274 440 L C 1.173 178.231 176.870 0.314 0.000 1.201 440 L CA 1.602 56.597 54.840 0.258 0.000 0.869 440 L CB 0.559 42.724 42.059 0.177 0.000 1.123 440 L HN 0.926 nan 8.230 nan 0.000 0.484 441 G N 3.406 112.361 108.800 0.258 0.000 2.143 441 G HA2 -0.394 3.566 3.960 -0.001 0.000 0.248 441 G HA3 -0.394 3.566 3.960 -0.001 0.000 0.248 441 G C 0.514 175.564 174.900 0.250 0.000 0.991 441 G CA 0.820 46.077 45.100 0.263 0.000 0.689 441 G HN 1.175 nan 8.290 nan 0.000 0.522 442 Y N -0.165 120.214 120.300 0.132 0.000 2.333 442 Y HA 0.183 4.732 4.550 -0.000 0.000 0.290 442 Y C 2.119 178.078 175.900 0.098 0.000 1.144 442 Y CA 1.566 59.711 58.100 0.076 0.000 1.228 442 Y CB -0.428 38.005 38.460 -0.046 0.000 0.985 442 Y HN 0.322 nan 8.280 nan 0.000 0.542 443 E N 0.620 120.353 120.200 -0.778 0.000 2.023 443 E HA -0.188 4.162 4.350 -0.001 0.000 0.196 443 E C 1.901 178.321 176.600 -0.300 0.000 1.003 443 E CA 2.201 58.233 56.400 -0.613 0.000 0.809 443 E CB -0.899 28.363 29.700 -0.730 0.000 0.755 443 E HN 0.640 nan 8.360 nan 0.000 0.449 444 Y N -0.662 119.544 120.300 -0.156 0.000 2.097 444 Y HA -0.262 4.287 4.550 -0.001 0.000 0.282 444 Y C 2.350 178.192 175.900 -0.096 0.000 1.152 444 Y CA 1.727 59.745 58.100 -0.137 0.000 1.136 444 Y CB -0.874 37.510 38.460 -0.128 0.000 0.975 444 Y HN 0.153 nan 8.280 nan 0.000 0.498 445 Y N 1.167 121.522 120.300 0.092 0.000 2.081 445 Y HA -0.350 4.200 4.550 -0.001 0.000 0.280 445 Y C 1.996 177.919 175.900 0.038 0.000 1.163 445 Y CA 2.227 60.385 58.100 0.096 0.000 1.135 445 Y CB -0.900 37.698 38.460 0.231 0.000 0.970 445 Y HN 0.199 nan 8.280 nan 0.000 0.498 446 N N -0.351 118.413 118.700 0.107 0.000 2.223 446 N HA -0.187 4.553 4.740 -0.001 0.000 0.185 446 N C 1.880 177.325 175.510 -0.108 0.000 1.016 446 N CA 1.162 54.203 53.050 -0.015 0.000 0.863 446 N CB -0.181 38.353 38.487 0.079 0.000 0.983 446 N HN 0.366 nan 8.380 nan 0.000 0.429 447 K N 0.523 120.855 120.400 -0.113 0.000 2.067 447 K HA 0.015 4.334 4.320 -0.001 0.000 0.203 447 K C 1.341 177.854 176.600 -0.146 0.000 1.048 447 K CA 0.705 56.915 56.287 -0.130 0.000 0.954 447 K CB 0.312 32.722 32.500 -0.150 0.000 0.737 447 K HN 0.035 nan 8.250 nan 0.000 0.444 448 L N -0.552 120.554 121.223 -0.194 0.000 2.463 448 L HA 0.229 4.569 4.340 -0.001 0.000 0.219 448 L C 1.462 178.215 176.870 -0.196 0.000 1.088 448 L CA 1.506 56.192 54.840 -0.255 0.000 0.849 448 L CB -0.068 41.663 42.059 -0.546 0.000 1.012 448 L HN 0.637 nan 8.230 nan 0.000 0.468 449 G N -0.065 108.589 108.800 -0.243 0.000 2.176 449 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.232 449 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.232 449 G C 0.092 174.963 174.900 -0.048 0.000 0.986 449 G CA 0.358 45.332 45.100 -0.209 0.000 0.643 449 G HN 0.426 nan 8.290 nan 0.000 0.522 450 Y N -2.521 117.751 120.300 -0.046 0.000 2.656 450 Y HA 0.684 5.233 4.550 -0.001 0.000 0.334 450 Y C -0.565 175.466 175.900 0.218 0.000 1.179 450 Y CA -1.702 56.485 58.100 0.146 0.000 1.050 450 Y CB 0.950 39.447 38.460 0.061 0.000 1.308 450 Y HN 0.381 nan 8.280 nan 0.000 0.456 451 V N 3.217 123.348 119.914 0.361 0.000 2.364 451 V HA 0.391 4.510 4.120 -0.001 0.000 0.272 451 V C -2.266 173.905 176.094 0.129 0.000 1.036 451 V CA -1.963 60.432 62.300 0.157 0.000 0.880 451 V CB 0.761 32.670 31.823 0.144 0.000 0.991 451 V HN 0.581 nan 8.190 nan 0.000 0.460 452 P HA -0.040 nan 4.420 nan 0.000 0.266 452 P C 0.132 177.432 177.300 0.001 0.000 1.193 452 P CA 0.215 63.332 63.100 0.029 0.000 0.770 452 P CB 0.409 31.958 31.700 -0.252 0.000 0.836 453 Y N 2.574 122.844 120.300 -0.050 0.000 2.516 453 Y HA -0.077 4.473 4.550 -0.001 0.000 0.291 453 Y C 0.797 176.641 175.900 -0.094 0.000 1.131 453 Y CA 1.165 59.209 58.100 -0.093 0.000 1.281 453 Y CB 0.049 38.458 38.460 -0.085 0.000 1.013 453 Y HN 0.275 nan 8.280 nan 0.000 0.554 454 D N -0.345 120.036 120.400 -0.031 0.000 2.623 454 D HA 0.056 4.696 4.640 -0.001 0.000 0.252 454 D C 0.280 176.506 176.300 -0.124 0.000 1.294 454 D CA 0.378 54.340 54.000 -0.064 0.000 0.824 454 D CB -0.520 40.314 40.800 0.058 0.000 1.070 454 D HN 0.201 nan 8.370 nan 0.000 0.487 455 V N -2.877 116.911 119.914 -0.211 0.000 3.006 455 V HA 0.469 4.589 4.120 -0.001 0.000 0.357 455 V C 0.419 176.415 176.094 -0.163 0.000 1.377 455 V CA -0.768 61.394 62.300 -0.230 0.000 1.198 455 V CB -0.112 31.385 31.823 -0.543 0.000 1.216 455 V HN 0.013 nan 8.190 nan 0.000 0.520 456 K N 0.177 120.491 120.400 -0.144 0.000 3.281 456 K HA -0.139 4.181 4.320 -0.001 0.000 0.295 456 K C -0.322 176.223 176.600 -0.093 0.000 1.233 456 K CA 1.171 57.398 56.287 -0.099 0.000 0.866 456 K CB -2.129 30.341 32.500 -0.050 0.000 1.265 456 K HN 0.807 nan 8.250 nan 0.000 0.482 457 I N 1.532 122.021 120.570 -0.135 0.000 2.382 457 I HA 0.224 4.393 4.170 -0.001 0.000 0.285 457 I C 0.141 176.175 176.117 -0.138 0.000 1.007 457 I CA -0.982 60.258 61.300 -0.100 0.000 1.142 457 I CB 1.430 39.383 38.000 -0.077 0.000 1.289 457 I HN -0.022 nan 8.210 nan 0.000 0.453 458 N N 4.866 123.502 118.700 -0.107 0.000 2.513 458 N HA 0.165 4.905 4.740 -0.001 0.000 0.274 458 N C 0.138 175.553 175.510 -0.160 0.000 1.189 458 N CA -0.094 52.872 53.050 -0.140 0.000 0.975 458 N CB 0.686 39.145 38.487 -0.047 0.000 1.157 458 N HN 0.498 nan 8.380 nan 0.000 0.465 459 E N -0.842 119.213 120.200 -0.241 0.000 2.694 459 E HA -0.241 4.108 4.350 -0.001 0.000 0.272 459 E C 0.650 177.099 176.600 -0.251 0.000 1.040 459 E CA 0.539 56.786 56.400 -0.254 0.000 0.809 459 E CB -1.407 28.196 29.700 -0.163 0.000 1.389 459 E HN 0.697 nan 8.360 nan 0.000 0.413 460 N N 0.042 118.600 118.700 -0.237 0.000 2.104 460 N HA -0.233 4.507 4.740 -0.001 0.000 0.190 460 N C 1.882 177.284 175.510 -0.180 0.000 1.024 460 N CA 1.514 54.464 53.050 -0.167 0.000 0.853 460 N CB -0.227 38.189 38.487 -0.118 0.000 1.008 460 N HN 0.286 nan 8.380 nan 0.000 0.424 461 A N 1.424 124.054 122.820 -0.317 0.000 1.933 461 A HA 0.150 4.470 4.320 -0.001 0.000 0.218 461 A C 2.548 179.979 177.584 -0.255 0.000 1.175 461 A CA 1.788 53.623 52.037 -0.337 0.000 0.628 461 A CB -0.826 17.722 19.000 -0.754 0.000 0.814 461 A HN 0.491 nan 8.150 nan 0.000 0.444 462 A N -0.222 122.354 122.820 -0.405 0.000 1.930 462 A HA -0.111 4.209 4.320 -0.001 0.000 0.217 462 A C 2.233 179.732 177.584 -0.142 0.000 1.175 462 A CA 1.367 53.157 52.037 -0.412 0.000 0.627 462 A CB -0.402 18.216 19.000 -0.636 0.000 0.815 462 A HN 0.553 nan 8.150 nan 0.000 0.443 463 R N -0.839 119.514 120.500 -0.245 0.000 2.066 463 R HA -0.076 4.264 4.340 -0.001 0.000 0.232 463 R C 2.289 178.204 176.300 -0.641 0.000 1.131 463 R CA 1.810 57.593 56.100 -0.528 0.000 0.955 463 R CB -0.853 29.100 30.300 -0.579 0.000 0.851 463 R HN 0.498 nan 8.270 nan 0.000 0.432 464 T N 1.864 116.295 114.554 -0.204 0.000 2.652 464 T HA -0.139 4.210 4.350 -0.001 0.000 0.267 464 T C 1.932 176.789 174.700 0.262 0.000 1.039 464 T CA 1.252 63.442 62.100 0.150 0.000 1.153 464 T CB -0.244 68.798 68.868 0.291 0.000 0.863 464 T HN 0.112 nan 8.240 nan 0.000 0.428 465 L N 0.574 121.939 121.223 0.236 0.000 2.017 465 L HA -0.124 4.216 4.340 -0.001 0.000 0.208 465 L C 2.808 179.916 176.870 0.397 0.000 1.073 465 L CA 1.529 56.584 54.840 0.359 0.000 0.745 465 L CB -0.539 41.746 42.059 0.377 0.000 0.894 465 L HN 0.350 nan 8.230 nan 0.000 0.432 466 E N -0.997 119.398 120.200 0.325 0.000 2.107 466 E HA -0.201 4.148 4.350 -0.001 0.000 0.191 466 E C 2.196 178.988 176.600 0.322 0.000 0.982 466 E CA 0.914 57.532 56.400 0.363 0.000 0.809 466 E CB -0.099 29.805 29.700 0.340 0.000 0.756 466 E HN 0.402 nan 8.360 nan 0.000 0.459 467 Y N 0.963 121.334 120.300 0.118 0.000 2.165 467 Y HA -0.215 4.335 4.550 -0.001 0.000 0.286 467 Y C 2.459 178.436 175.900 0.128 0.000 1.155 467 Y CA 0.716 58.789 58.100 -0.046 0.000 1.164 467 Y CB -1.173 36.979 38.460 -0.513 0.000 0.978 467 Y HN 0.040 nan 8.280 nan 0.000 0.513 468 A N -0.466 122.647 122.820 0.488 0.000 1.883 468 A HA -0.282 4.037 4.320 -0.001 0.000 0.217 468 A C 2.189 179.925 177.584 0.253 0.000 1.186 468 A CA 1.862 54.198 52.037 0.497 0.000 0.624 468 A CB -1.505 17.867 19.000 0.620 0.000 0.822 468 A HN 0.534 nan 8.150 nan 0.000 0.444 469 Y N 1.362 121.714 120.300 0.087 0.000 2.224 469 Y HA -0.192 4.358 4.550 -0.001 0.000 0.289 469 Y C 1.780 177.618 175.900 -0.102 0.000 1.146 469 Y CA 1.742 59.709 58.100 -0.221 0.000 1.182 469 Y CB -0.344 38.173 38.460 0.095 0.000 0.983 469 Y HN 0.359 nan 8.280 nan 0.000 0.524 470 D N 0.421 120.666 120.400 -0.259 0.000 2.104 470 D HA -0.202 4.437 4.640 -0.001 0.000 0.194 470 D C 1.723 177.868 176.300 -0.257 0.000 0.994 470 D CA 1.750 55.530 54.000 -0.366 0.000 0.830 470 D CB -0.418 40.295 40.800 -0.146 0.000 0.959 470 D HN 0.466 nan 8.370 nan 0.000 0.452 471 D N -0.308 120.072 120.400 -0.032 0.000 2.178 471 D HA -0.151 4.489 4.640 -0.001 0.000 0.201 471 D C 1.896 178.213 176.300 0.028 0.000 0.980 471 D CA 0.468 54.526 54.000 0.098 0.000 0.842 471 D CB -0.394 40.623 40.800 0.362 0.000 0.948 471 D HN 0.365 nan 8.370 nan 0.000 0.472 472 W N 1.403 122.545 121.300 -0.264 0.000 2.338 472 W HA -0.266 4.393 4.660 -0.001 0.000 0.304 472 W C 2.317 178.699 176.519 -0.229 0.000 1.212 472 W CA 1.238 58.397 57.345 -0.310 0.000 1.264 472 W CB -0.439 28.705 29.460 -0.526 0.000 1.142 472 W HN -0.044 nan 8.180 nan 0.000 0.512 473 C N 0.323 119.477 119.300 -0.244 0.000 2.413 473 C HA -0.209 4.251 4.460 -0.001 0.000 0.276 473 C C 2.698 177.388 174.990 -0.500 0.000 1.248 473 C CA 1.255 60.006 59.018 -0.444 0.000 1.742 473 C CB -1.510 25.955 27.740 -0.458 0.000 2.017 473 C HN 0.377 nan 8.230 nan 0.000 0.481 474 I N -0.066 120.217 120.570 -0.479 0.000 2.179 474 I HA -0.240 3.930 4.170 -0.001 0.000 0.242 474 I C 2.532 178.350 176.117 -0.499 0.000 1.088 474 I CA 1.961 62.896 61.300 -0.608 0.000 1.357 474 I CB -0.696 36.722 38.000 -0.970 0.000 1.051 474 I HN 0.418 nan 8.210 nan 0.000 0.409 475 Y N 2.237 122.262 120.300 -0.458 0.000 2.114 475 Y HA -0.296 4.254 4.550 -0.001 0.000 0.282 475 Y C 2.700 178.372 175.900 -0.380 0.000 1.165 475 Y CA 1.549 59.487 58.100 -0.270 0.000 1.148 475 Y CB -0.272 38.066 38.460 -0.203 0.000 0.972 475 Y HN -0.026 nan 8.280 nan 0.000 0.504 476 R N 0.196 120.241 120.500 -0.757 0.000 2.083 476 R HA -0.177 4.162 4.340 -0.001 0.000 0.237 476 R C 2.272 178.215 176.300 -0.595 0.000 1.137 476 R CA 1.653 57.241 56.100 -0.853 0.000 0.951 476 R CB -1.282 28.442 30.300 -0.960 0.000 0.851 476 R HN 0.474 nan 8.270 nan 0.000 0.434 477 L N 0.786 121.718 121.223 -0.484 0.000 2.072 477 L HA 0.017 4.357 4.340 -0.001 0.000 0.205 477 L C 2.297 178.964 176.870 -0.339 0.000 1.079 477 L CA 1.849 56.457 54.840 -0.387 0.000 0.752 477 L CB -0.663 41.178 42.059 -0.363 0.000 0.906 477 L HN 0.134 nan 8.230 nan 0.000 0.436 478 A N -0.517 122.137 122.820 -0.277 0.000 1.908 478 A HA -0.282 4.038 4.320 -0.001 0.000 0.218 478 A C 2.431 179.844 177.584 -0.285 0.000 1.181 478 A CA 2.092 54.005 52.037 -0.208 0.000 0.627 478 A CB -0.602 18.380 19.000 -0.030 0.000 0.818 478 A HN 0.489 nan 8.150 nan 0.000 0.445 479 K N -0.525 119.646 120.400 -0.382 0.000 2.026 479 K HA -0.207 4.113 4.320 -0.001 0.000 0.208 479 K C 2.083 178.532 176.600 -0.252 0.000 1.048 479 K CA 1.672 57.752 56.287 -0.345 0.000 0.929 479 K CB -0.141 32.047 32.500 -0.520 0.000 0.713 479 K HN 0.464 nan 8.250 nan 0.000 0.439 480 E N 0.351 120.392 120.200 -0.265 0.000 2.097 480 E HA -0.191 4.159 4.350 -0.001 0.000 0.196 480 E C 1.318 177.817 176.600 -0.169 0.000 1.000 480 E CA 1.296 57.589 56.400 -0.179 0.000 0.804 480 E CB -0.091 29.516 29.700 -0.154 0.000 0.740 480 E HN 0.164 nan 8.360 nan 0.000 0.454 481 L N 1.004 122.079 121.223 -0.246 0.000 2.610 481 L HA 0.129 4.468 4.340 -0.001 0.000 0.232 481 L C 0.390 177.131 176.870 -0.215 0.000 1.149 481 L CA 0.960 55.644 54.840 -0.260 0.000 0.872 481 L CB -0.773 41.035 42.059 -0.418 0.000 0.992 481 L HN 0.156 nan 8.230 nan 0.000 0.447 482 K N -0.182 120.110 120.400 -0.181 0.000 3.096 482 K HA -0.200 4.120 4.320 -0.001 0.000 0.266 482 K C 0.078 176.590 176.600 -0.147 0.000 1.043 482 K CA 0.216 56.422 56.287 -0.135 0.000 0.758 482 K CB -1.043 31.397 32.500 -0.100 0.000 1.260 482 K HN 0.247 nan 8.250 nan 0.000 0.481 483 R N -0.039 120.347 120.500 -0.190 0.000 2.801 483 R HA 0.155 4.494 4.340 -0.001 0.000 0.273 483 R C -2.137 174.116 176.300 -0.078 0.000 1.080 483 R CA -1.667 54.331 56.100 -0.170 0.000 1.197 483 R CB -0.527 29.646 30.300 -0.213 0.000 1.109 483 R HN -0.027 nan 8.270 nan 0.000 0.535 484 P HA 0.036 nan 4.420 nan 0.000 0.266 484 P C 0.232 177.541 177.300 0.015 0.000 1.195 484 P CA 0.196 63.290 63.100 -0.011 0.000 0.768 484 P CB 0.439 32.140 31.700 0.001 0.000 0.838 485 K N 1.773 122.182 120.400 0.016 0.000 2.113 485 K HA -0.223 4.097 4.320 -0.001 0.000 0.208 485 K C 1.764 178.394 176.600 0.050 0.000 1.047 485 K CA 1.458 57.767 56.287 0.036 0.000 0.928 485 K CB -0.116 32.401 32.500 0.029 0.000 0.716 485 K HN 0.239 nan 8.250 nan 0.000 0.446 486 K N 1.306 121.727 120.400 0.035 0.000 2.097 486 K HA -0.128 4.192 4.320 -0.001 0.000 0.206 486 K C 1.807 178.432 176.600 0.040 0.000 1.049 486 K CA 1.356 57.660 56.287 0.029 0.000 0.933 486 K CB -0.146 32.361 32.500 0.012 0.000 0.717 486 K HN 0.213 nan 8.250 nan 0.000 0.442 487 E N -0.179 120.064 120.200 0.072 0.000 2.028 487 E HA -0.114 4.236 4.350 -0.001 0.000 0.191 487 E C 2.008 178.743 176.600 0.224 0.000 0.988 487 E CA 1.163 57.648 56.400 0.141 0.000 0.799 487 E CB -0.067 29.748 29.700 0.193 0.000 0.755 487 E HN 0.203 nan 8.360 nan 0.000 0.447 488 I N 0.641 121.326 120.570 0.191 0.000 2.208 488 I HA -0.277 3.892 4.170 -0.001 0.000 0.245 488 I C 2.398 178.703 176.117 0.313 0.000 1.097 488 I CA 0.956 62.400 61.300 0.240 0.000 1.363 488 I CB -0.190 37.883 38.000 0.121 0.000 1.051 488 I HN 0.029 nan 8.210 nan 0.000 0.413 489 S N 0.785 116.601 115.700 0.192 0.000 2.402 489 S HA -0.141 4.329 4.470 -0.001 0.000 0.229 489 S C 1.903 176.561 174.600 0.097 0.000 1.021 489 S CA 1.032 59.324 58.200 0.153 0.000 0.974 489 S CB -0.385 62.866 63.200 0.085 0.000 0.800 489 S HN 0.324 nan 8.310 nan 0.000 0.484 490 L N 0.697 121.928 121.223 0.014 0.000 2.056 490 L HA 0.060 4.399 4.340 -0.001 0.000 0.207 490 L C 1.685 178.426 176.870 -0.215 0.000 1.078 490 L CA 1.776 56.516 54.840 -0.167 0.000 0.749 490 L CB -0.613 41.235 42.059 -0.352 0.000 0.901 490 L HN 0.180 nan 8.230 nan 0.000 0.433 491 F N -0.487 119.533 119.950 0.116 0.000 2.293 491 F HA 0.101 4.628 4.527 -0.000 0.000 0.297 491 F C 2.485 178.345 175.800 0.101 0.000 1.089 491 F CA 0.849 58.918 58.000 0.115 0.000 1.377 491 F CB -1.164 37.905 39.000 0.114 0.000 1.051 491 F HN 0.138 nan 8.300 nan 0.000 0.511 492 A N 0.100 123.086 122.820 0.275 0.000 1.940 492 A HA -0.241 4.079 4.320 -0.001 0.000 0.219 492 A C 2.346 180.056 177.584 0.209 0.000 1.176 492 A CA 1.865 53.947 52.037 0.075 0.000 0.631 492 A CB -0.685 18.400 19.000 0.141 0.000 0.814 492 A HN 0.304 nan 8.150 nan 0.000 0.446 493 K N -0.396 120.087 120.400 0.139 0.000 2.025 493 K HA -0.114 4.206 4.320 -0.001 0.000 0.207 493 K C 2.237 178.900 176.600 0.105 0.000 1.049 493 K CA 1.301 57.644 56.287 0.094 0.000 0.933 493 K CB -0.212 32.298 32.500 0.017 0.000 0.714 493 K HN 0.445 nan 8.250 nan 0.000 0.438 494 R N -0.023 120.537 120.500 0.099 0.000 2.115 494 R HA -0.041 4.298 4.340 -0.001 0.000 0.230 494 R C 2.270 178.727 176.300 0.263 0.000 1.111 494 R CA 0.925 57.103 56.100 0.130 0.000 0.976 494 R CB -0.255 30.135 30.300 0.150 0.000 0.870 494 R HN 0.232 nan 8.270 nan 0.000 0.445 495 A N 0.662 123.656 122.820 0.291 0.000 2.076 495 A HA -0.140 4.180 4.320 -0.001 0.000 0.220 495 A C 1.837 179.767 177.584 0.576 0.000 1.160 495 A CA 1.191 53.461 52.037 0.388 0.000 0.653 495 A CB -0.180 18.930 19.000 0.183 0.000 0.801 495 A HN 0.117 nan 8.150 nan 0.000 0.455 496 M N 0.215 120.032 119.600 0.361 0.000 2.595 496 M HA 0.045 4.525 4.480 -0.001 0.000 0.248 496 M C 1.090 177.299 176.300 -0.151 0.000 1.119 496 M CA 0.184 55.540 55.300 0.093 0.000 1.079 496 M CB -1.265 31.358 32.600 0.037 0.000 1.472 496 M HN 0.384 nan 8.290 nan 0.000 0.501 497 N N 0.548 119.297 118.700 0.082 0.000 2.348 497 N HA -0.201 4.539 4.740 -0.001 0.000 0.185 497 N C 1.569 177.145 175.510 0.110 0.000 1.019 497 N CA 1.204 54.300 53.050 0.077 0.000 0.880 497 N CB -0.422 38.160 38.487 0.159 0.000 0.965 497 N HN 0.633 nan 8.380 nan 0.000 0.437 498 Y N 0.901 121.359 120.300 0.264 0.000 2.384 498 Y HA -0.071 4.479 4.550 -0.001 0.000 0.289 498 Y C 1.793 177.797 175.900 0.173 0.000 1.152 498 Y CA 0.946 59.184 58.100 0.231 0.000 1.258 498 Y CB -0.507 38.091 38.460 0.230 0.000 0.979 498 Y HN -0.101 nan 8.280 nan 0.000 0.549 499 K N 0.595 120.749 120.400 -0.410 0.000 2.211 499 K HA -0.102 4.217 4.320 -0.001 0.000 0.203 499 K C 1.261 177.872 176.600 0.017 0.000 1.050 499 K CA 1.082 57.251 56.287 -0.198 0.000 0.945 499 K CB -0.242 32.049 32.500 -0.348 0.000 0.732 499 K HN 0.442 nan 8.250 nan 0.000 0.451 500 N N 0.870 119.575 118.700 0.009 0.000 2.520 500 N HA -0.078 4.662 4.740 -0.001 0.000 0.185 500 N C 1.138 176.614 175.510 -0.057 0.000 1.068 500 N CA 0.873 53.910 53.050 -0.022 0.000 0.911 500 N CB 0.192 38.702 38.487 0.037 0.000 0.961 500 N HN 0.230 nan 8.380 nan 0.000 0.446 501 L N -0.573 120.718 121.223 0.115 0.000 2.857 501 L HA 0.285 4.624 4.340 -0.001 0.000 0.249 501 L C -0.124 176.890 176.870 0.240 0.000 1.172 501 L CA -0.353 54.598 54.840 0.185 0.000 0.980 501 L CB 0.117 42.251 42.059 0.124 0.000 1.299 501 L HN -0.058 nan 8.230 nan 0.000 0.535 502 F N 1.860 121.875 119.950 0.108 0.000 2.420 502 F HA 0.244 4.771 4.527 -0.001 0.000 0.352 502 F C 0.365 176.058 175.800 -0.179 0.000 1.108 502 F CA -0.763 57.212 58.000 -0.042 0.000 1.162 502 F CB 0.724 39.727 39.000 0.005 0.000 1.118 502 F HN -0.068 nan 8.300 nan 0.000 0.510 503 D N 6.026 125.815 120.400 -1.018 0.000 2.317 503 D HA 0.168 4.807 4.640 -0.001 0.000 0.234 503 D C 0.682 176.540 176.300 -0.737 0.000 1.112 503 D CA -0.300 53.084 54.000 -1.026 0.000 0.840 503 D CB 1.182 41.170 40.800 -1.352 0.000 1.078 503 D HN 0.454 nan 8.370 nan 0.000 0.486 504 K N 2.744 123.021 120.400 -0.204 0.000 2.057 504 K HA -0.145 4.175 4.320 -0.001 0.000 0.207 504 K C 1.385 177.931 176.600 -0.090 0.000 1.049 504 K CA 1.088 57.400 56.287 0.041 0.000 0.931 504 K CB 0.133 32.699 32.500 0.111 0.000 0.714 504 K HN 0.604 nan 8.250 nan 0.000 0.440 505 E N 0.301 120.404 120.200 -0.161 0.000 2.051 505 E HA -0.130 4.220 4.350 -0.001 0.000 0.192 505 E C 1.963 178.471 176.600 -0.153 0.000 0.991 505 E CA 1.826 58.152 56.400 -0.122 0.000 0.799 505 E CB 0.120 29.751 29.700 -0.116 0.000 0.748 505 E HN 0.297 nan 8.360 nan 0.000 0.449 506 S N -0.149 115.393 115.700 -0.263 0.000 2.446 506 S HA 0.029 4.498 4.470 -0.001 0.000 0.225 506 S C 0.794 175.187 174.600 -0.345 0.000 1.016 506 S CA 0.375 58.430 58.200 -0.241 0.000 0.943 506 S CB 0.114 63.212 63.200 -0.170 0.000 0.786 506 S HN 0.167 nan 8.310 nan 0.000 0.508 507 K N 0.219 120.328 120.400 -0.485 0.000 3.281 507 K HA -0.112 4.207 4.320 -0.001 0.000 0.295 507 K C -0.860 175.278 176.600 -0.769 0.000 1.233 507 K CA 0.587 56.572 56.287 -0.504 0.000 0.866 507 K CB -1.843 30.561 32.500 -0.159 0.000 1.265 507 K HN 0.446 nan 8.250 nan 0.000 0.482 508 L N 0.440 121.118 121.223 -0.908 0.000 2.333 508 L HA 0.505 4.845 4.340 -0.001 0.000 0.263 508 L C 0.476 176.907 176.870 -0.732 0.000 1.014 508 L CA -1.404 52.964 54.840 -0.786 0.000 0.820 508 L CB 1.343 43.023 42.059 -0.631 0.000 1.352 508 L HN -0.106 nan 8.230 nan 0.000 0.421 509 M N 2.068 121.406 119.600 -0.436 0.000 2.245 509 M HA 0.271 4.751 4.480 -0.001 0.000 0.344 509 M C -0.224 176.013 176.300 -0.105 0.000 1.170 509 M CA 0.616 55.811 55.300 -0.175 0.000 1.135 509 M CB 0.302 32.943 32.600 0.068 0.000 1.574 509 M HN 0.536 nan 8.290 nan 0.000 0.452 510 R N 0.462 120.854 120.500 -0.181 0.000 2.604 510 R HA 0.534 4.874 4.340 -0.001 0.000 0.270 510 R C -0.405 175.788 176.300 -0.179 0.000 1.052 510 R CA -0.499 55.388 56.100 -0.356 0.000 0.902 510 R CB 1.361 30.982 30.300 -1.131 0.000 1.233 510 R HN 0.879 nan 8.270 nan 0.000 0.455 511 G N 2.733 111.397 108.800 -0.228 0.000 2.414 511 G HA2 0.126 4.085 3.960 -0.001 0.000 0.236 511 G HA3 0.126 4.085 3.960 -0.001 0.000 0.236 511 G C -0.719 174.101 174.900 -0.133 0.000 1.293 511 G CA -0.195 44.802 45.100 -0.172 0.000 0.869 511 G HN 0.565 nan 8.290 nan 0.000 0.556 512 R N 1.698 122.145 120.500 -0.088 0.000 2.621 512 R HA 0.205 4.545 4.340 -0.001 0.000 0.292 512 R C -0.255 176.042 176.300 -0.005 0.000 0.969 512 R CA -0.869 55.083 56.100 -0.246 0.000 0.887 512 R CB 0.994 30.822 30.300 -0.787 0.000 1.180 512 R HN 0.608 nan 8.270 nan 0.000 0.450 513 N N 1.792 120.479 118.700 -0.022 0.000 2.424 513 N HA -0.061 4.679 4.740 -0.001 0.000 0.257 513 N C 0.611 176.210 175.510 0.150 0.000 1.250 513 N CA -0.052 53.048 53.050 0.082 0.000 0.946 513 N CB 0.928 39.436 38.487 0.034 0.000 1.175 513 N HN 0.713 nan 8.380 nan 0.000 0.477 514 E N 0.447 120.697 120.200 0.083 0.000 2.110 514 E HA -0.230 4.119 4.350 -0.001 0.000 0.193 514 E C 0.536 177.179 176.600 0.071 0.000 0.988 514 E CA 1.360 57.791 56.400 0.053 0.000 0.804 514 E CB 0.029 29.734 29.700 0.008 0.000 0.745 514 E HN 0.595 nan 8.360 nan 0.000 0.458 515 D N -1.258 119.168 120.400 0.043 0.000 2.350 515 D HA -0.049 4.591 4.640 -0.001 0.000 0.216 515 D C 1.318 177.624 176.300 0.011 0.000 0.968 515 D CA 1.178 55.190 54.000 0.021 0.000 0.894 515 D CB 0.133 40.936 40.800 0.006 0.000 0.909 515 D HN 0.368 nan 8.370 nan 0.000 0.520 516 G N -0.701 108.111 108.800 0.020 0.000 2.201 516 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.212 516 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.212 516 G C 0.394 175.152 174.900 -0.236 0.000 0.994 516 G CA 0.188 45.252 45.100 -0.061 0.000 0.644 516 G HN 0.683 nan 8.290 nan 0.000 0.508 517 T N 0.384 114.837 114.554 -0.169 0.000 2.884 517 T HA 0.619 4.969 4.350 -0.001 0.000 0.298 517 T C 0.344 174.891 174.700 -0.255 0.000 0.998 517 T CA -0.529 61.462 62.100 -0.181 0.000 1.124 517 T CB 1.570 70.392 68.868 -0.076 0.000 0.931 517 T HN 0.195 nan 8.240 nan 0.000 0.531 518 F N 2.015 121.848 119.950 -0.194 0.000 2.496 518 F HA 0.176 4.703 4.527 -0.001 0.000 0.344 518 F C 1.264 176.900 175.800 -0.274 0.000 1.155 518 F CA -0.327 57.503 58.000 -0.283 0.000 1.302 518 F CB 0.555 39.352 39.000 -0.338 0.000 1.159 518 F HN 0.585 nan 8.300 nan 0.000 0.595 519 Q N 2.255 121.968 119.800 -0.145 0.000 2.327 519 Q HA 0.270 4.609 4.340 -0.001 0.000 0.254 519 Q C -0.980 174.909 176.000 -0.185 0.000 0.952 519 Q CA 0.072 55.704 55.803 -0.285 0.000 0.884 519 Q CB 1.265 29.518 28.738 -0.808 0.000 1.224 519 Q HN 0.732 nan 8.270 nan 0.000 0.422 520 S N 2.621 118.260 115.700 -0.101 0.000 2.751 520 S HA 0.619 5.089 4.470 -0.001 0.000 0.310 520 S C -2.491 172.112 174.600 0.004 0.000 1.128 520 S CA -0.985 57.202 58.200 -0.022 0.000 0.931 520 S CB 1.154 64.352 63.200 -0.004 0.000 1.177 520 S HN 0.818 nan 8.310 nan 0.000 0.530 521 P HA -0.112 nan 4.420 nan 0.000 0.269 521 P C -1.254 176.110 177.300 0.106 0.000 1.153 521 P CA 0.268 63.401 63.100 0.056 0.000 0.754 521 P CB 0.007 31.733 31.700 0.044 0.000 0.758 522 F N 2.315 122.217 119.950 -0.080 0.000 2.388 522 F HA 0.362 4.888 4.527 -0.001 0.000 0.358 522 F C -0.412 175.354 175.800 -0.055 0.000 1.122 522 F CA -1.214 56.724 58.000 -0.102 0.000 1.056 522 F CB 1.036 39.946 39.000 -0.151 0.000 1.155 522 F HN 0.167 nan 8.300 nan 0.000 0.461 523 S N 8.859 124.353 115.700 -0.343 0.000 2.528 523 S HA 0.270 4.740 4.470 -0.001 0.000 0.303 523 S C -1.973 172.274 174.600 -0.589 0.000 1.123 523 S CA -0.991 56.970 58.200 -0.399 0.000 1.138 523 S CB 1.183 64.328 63.200 -0.093 0.000 0.984 523 S HN 0.480 nan 8.310 nan 0.000 0.474 524 P HA -0.034 nan 4.420 nan 0.000 0.219 524 P C 0.644 177.841 177.300 -0.170 0.000 1.146 524 P CA 0.910 63.613 63.100 -0.661 0.000 0.808 524 P CB 0.102 31.504 31.700 -0.497 0.000 0.779 525 L N -1.729 119.466 121.223 -0.046 0.000 2.628 525 L HA 0.136 4.476 4.340 -0.001 0.000 0.229 525 L C 1.164 178.174 176.870 0.233 0.000 1.137 525 L CA -0.197 54.709 54.840 0.110 0.000 0.909 525 L CB -0.300 41.831 42.059 0.121 0.000 1.137 525 L HN -0.089 nan 8.230 nan 0.000 0.470 526 K N 0.441 120.938 120.400 0.162 0.000 2.322 526 K HA 0.071 4.390 4.320 -0.001 0.000 0.283 526 K C -1.080 175.756 176.600 0.394 0.000 1.042 526 K CA -0.496 55.977 56.287 0.309 0.000 0.958 526 K CB 0.621 33.249 32.500 0.212 0.000 0.984 526 K HN -0.118 nan 8.250 nan 0.000 0.473 527 W N 2.891 124.354 121.300 0.271 0.000 2.381 527 W HA 0.441 5.101 4.660 -0.001 0.000 0.329 527 W C 0.793 177.510 176.519 0.330 0.000 1.157 527 W CA 0.899 58.450 57.345 0.344 0.000 1.240 527 W CB 1.018 30.725 29.460 0.411 0.000 1.199 527 W HN 0.992 nan 8.180 nan 0.000 0.579 528 G N 1.798 110.859 108.800 0.435 0.000 2.593 528 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.237 528 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.237 528 G C 0.321 174.907 174.900 -0.523 0.000 1.312 528 G CA 0.522 45.560 45.100 -0.104 0.000 0.896 528 G HN 0.719 nan 8.290 nan 0.000 0.574 529 D N -2.717 116.779 120.400 -1.505 0.000 4.529 529 D HA -0.211 4.428 4.640 -0.001 0.000 0.151 529 D C 2.178 178.185 176.300 -0.488 0.000 0.685 529 D CA 3.992 57.445 54.000 -0.912 0.000 1.198 529 D CB -1.580 39.008 40.800 -0.353 0.000 0.658 529 D HN 1.839 nan 8.370 nan 0.000 0.542 530 A N -0.242 122.388 122.820 -0.318 0.000 2.066 530 A HA 0.243 4.562 4.320 -0.001 0.000 0.218 530 A C 1.109 178.164 177.584 -0.882 0.000 1.157 530 A CA 1.379 53.085 52.037 -0.552 0.000 0.670 530 A CB -0.246 18.346 19.000 -0.680 0.000 0.804 530 A HN 0.245 nan 8.150 nan 0.000 0.453 531 F N -1.438 118.392 119.950 -0.201 0.000 2.661 531 F HA 0.519 5.046 4.527 -0.000 0.000 0.347 531 F C 0.578 176.282 175.800 -0.159 0.000 1.086 531 F CA -0.406 57.431 58.000 -0.273 0.000 1.016 531 F CB 1.241 40.134 39.000 -0.179 0.000 1.368 531 F HN -0.139 nan 8.300 nan 0.000 0.505 532 T N -2.087 112.570 114.554 0.171 0.000 2.809 532 T HA 0.428 4.778 4.350 -0.001 0.000 0.296 532 T C -0.656 174.276 174.700 0.386 0.000 1.015 532 T CA -0.606 61.630 62.100 0.226 0.000 0.954 532 T CB 0.732 69.665 68.868 0.108 0.000 0.950 532 T HN 0.683 nan 8.240 nan 0.000 0.450 533 E N 1.413 121.862 120.200 0.415 0.000 2.252 533 E HA -0.085 4.264 4.350 -0.001 0.000 0.218 533 E C 0.382 177.115 176.600 0.221 0.000 1.253 533 E CA 0.896 57.542 56.400 0.411 0.000 0.705 533 E CB -1.522 28.317 29.700 0.233 0.000 1.172 533 E HN 1.276 nan 8.360 nan 0.000 0.369 534 G N 0.138 108.938 108.800 0.001 0.000 2.349 534 G HA2 0.428 4.387 3.960 -0.001 0.000 0.294 534 G HA3 0.428 4.387 3.960 -0.001 0.000 0.294 534 G C -1.421 173.183 174.900 -0.493 0.000 1.380 534 G CA -0.365 44.467 45.100 -0.447 0.000 0.811 534 G HN 0.180 nan 8.290 nan 0.000 0.519 535 N N -1.638 116.620 118.700 -0.738 0.000 2.890 535 N HA 0.596 5.336 4.740 -0.001 0.000 0.317 535 N C 1.177 176.087 175.510 -0.999 0.000 1.355 535 N CA 0.086 52.709 53.050 -0.712 0.000 0.803 535 N CB 1.149 39.288 38.487 -0.579 0.000 1.465 535 N HN 0.496 nan 8.380 nan 0.000 0.591 536 S N -1.191 113.929 115.700 -0.967 0.000 2.387 536 S HA -0.135 4.335 4.470 -0.001 0.000 0.230 536 S C 0.874 175.039 174.600 -0.724 0.000 1.035 536 S CA 1.259 58.883 58.200 -0.960 0.000 1.014 536 S CB -0.574 62.389 63.200 -0.395 0.000 0.836 536 S HN 0.564 nan 8.310 nan 0.000 0.466 537 W N 0.711 121.636 121.300 -0.624 0.000 2.525 537 W HA 0.006 4.666 4.660 -0.001 0.000 0.259 537 W C 2.101 178.426 176.519 -0.323 0.000 1.253 537 W CA 1.068 58.130 57.345 -0.472 0.000 1.262 537 W CB -0.179 29.024 29.460 -0.428 0.000 1.122 537 W HN 0.595 nan 8.180 nan 0.000 0.607 538 H N -4.206 114.793 119.070 -0.118 0.000 2.476 538 H HA 0.024 4.579 4.556 -0.001 0.000 0.292 538 H C 1.300 176.546 175.328 -0.136 0.000 1.019 538 H CA 0.958 56.948 56.048 -0.096 0.000 1.330 538 H CB -0.308 29.285 29.762 -0.282 0.000 1.451 538 H HN 0.033 nan 8.280 nan 0.000 0.535 539 Y N 0.861 121.021 120.300 -0.234 0.000 2.475 539 Y HA -0.097 4.452 4.550 -0.000 0.000 0.289 539 Y C 2.250 178.038 175.900 -0.187 0.000 1.121 539 Y CA 0.751 58.772 58.100 -0.133 0.000 1.257 539 Y CB 0.310 38.712 38.460 -0.096 0.000 1.026 539 Y HN 0.115 nan 8.280 nan 0.000 0.555 540 T N -0.874 113.459 114.554 -0.368 0.000 2.897 540 T HA -0.232 4.118 4.350 -0.001 0.000 0.271 540 T C 0.818 175.196 174.700 -0.537 0.000 1.084 540 T CA 1.552 63.327 62.100 -0.541 0.000 1.123 540 T CB -0.445 67.862 68.868 -0.935 0.000 0.865 540 T HN 0.494 nan 8.240 nan 0.000 0.496 541 W N 1.317 122.560 121.300 -0.096 0.000 3.180 541 W HA 0.258 4.918 4.660 -0.000 0.000 0.254 541 W C 1.007 177.443 176.519 -0.139 0.000 1.318 541 W CA -0.552 56.722 57.345 -0.118 0.000 1.608 541 W CB -0.234 29.098 29.460 -0.213 0.000 1.124 541 W HN -0.047 nan 8.180 nan 0.000 0.694 542 S N 1.295 116.957 115.700 -0.063 0.000 4.183 542 S HA 0.212 4.682 4.470 -0.001 0.000 0.195 542 S C 0.210 174.508 174.600 -0.503 0.000 1.421 542 S CA -0.003 57.931 58.200 -0.442 0.000 0.920 542 S CB -0.351 62.845 63.200 -0.007 0.000 1.525 542 S HN -0.037 nan 8.310 nan 0.000 0.447 543 V N 2.606 122.146 119.914 -0.623 0.000 2.562 543 V HA 0.205 4.325 4.120 -0.001 0.000 0.274 543 V C 0.450 176.258 176.094 -0.477 0.000 1.075 543 V CA -0.483 61.514 62.300 -0.505 0.000 1.204 543 V CB -0.812 30.588 31.823 -0.705 0.000 1.478 543 V HN 0.630 nan 8.190 nan 0.000 0.622 544 F N 0.601 120.427 119.950 -0.207 0.000 2.154 544 F HA -0.227 4.299 4.527 -0.001 0.000 0.301 544 F C 2.535 178.198 175.800 -0.228 0.000 1.087 544 F CA 2.144 59.954 58.000 -0.316 0.000 1.274 544 F CB -0.522 38.092 39.000 -0.644 0.000 1.009 544 F HN 0.629 nan 8.300 nan 0.000 0.485 545 H N -2.173 116.782 119.070 -0.192 0.000 2.551 545 H HA 0.147 4.703 4.556 -0.001 0.000 0.266 545 H C -0.113 175.128 175.328 -0.145 0.000 0.964 545 H CA 0.939 56.722 56.048 -0.442 0.000 1.180 545 H CB -0.271 28.795 29.762 -1.161 0.000 1.408 545 H HN 0.216 nan 8.280 nan 0.000 0.563 546 D N 0.382 120.423 120.400 -0.598 0.000 2.945 546 D HA 0.235 4.875 4.640 -0.001 0.000 0.340 546 D C -2.056 174.012 176.300 -0.387 0.000 1.240 546 D CA -1.936 51.818 54.000 -0.411 0.000 0.749 546 D CB 0.938 41.505 40.800 -0.387 0.000 1.217 546 D HN 0.007 nan 8.370 nan 0.000 0.514 547 P HA -0.151 nan 4.420 nan 0.000 0.217 547 P C 1.379 178.498 177.300 -0.302 0.000 1.150 547 P CA 0.961 63.824 63.100 -0.395 0.000 0.832 547 P CB 0.456 31.704 31.700 -0.754 0.000 0.787 548 Q N 0.124 119.820 119.800 -0.174 0.000 2.084 548 Q HA -0.096 4.243 4.340 -0.001 0.000 0.202 548 Q C 2.185 178.093 176.000 -0.152 0.000 0.978 548 Q CA 2.311 58.021 55.803 -0.155 0.000 0.844 548 Q CB -1.611 27.073 28.738 -0.090 0.000 0.898 548 Q HN 0.157 nan 8.270 nan 0.000 0.426 549 G N 0.733 109.462 108.800 -0.119 0.000 2.469 549 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.219 549 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.219 549 G C 1.331 176.197 174.900 -0.057 0.000 1.150 549 G CA 1.059 46.142 45.100 -0.027 0.000 0.763 549 G HN 0.421 nan 8.290 nan 0.000 0.561 550 L N 0.779 121.915 121.223 -0.145 0.000 2.027 550 L HA 0.121 4.461 4.340 -0.001 0.000 0.206 550 L C 2.718 179.557 176.870 -0.051 0.000 1.074 550 L CA 1.210 55.992 54.840 -0.097 0.000 0.745 550 L CB -0.499 41.523 42.059 -0.062 0.000 0.898 550 L HN 0.278 nan 8.230 nan 0.000 0.433 551 I N -0.141 120.316 120.570 -0.189 0.000 2.151 551 I HA -0.360 3.810 4.170 -0.001 0.000 0.243 551 I C 2.062 178.139 176.117 -0.066 0.000 1.080 551 I CA 1.595 62.767 61.300 -0.214 0.000 1.339 551 I CB -0.579 37.158 38.000 -0.438 0.000 1.039 551 I HN 0.330 nan 8.210 nan 0.000 0.409 552 D N 0.862 121.199 120.400 -0.105 0.000 2.097 552 D HA -0.148 4.492 4.640 -0.001 0.000 0.195 552 D C 2.234 178.454 176.300 -0.133 0.000 0.989 552 D CA 1.371 55.316 54.000 -0.092 0.000 0.827 552 D CB -0.456 40.288 40.800 -0.093 0.000 0.966 552 D HN 0.308 nan 8.370 nan 0.000 0.456 553 L N -0.259 120.804 121.223 -0.266 0.000 2.191 553 L HA -0.073 4.267 4.340 -0.001 0.000 0.212 553 L C 2.427 179.101 176.870 -0.328 0.000 1.103 553 L CA 0.940 55.447 54.840 -0.554 0.000 0.769 553 L CB -0.510 40.717 42.059 -1.388 0.000 0.908 553 L HN -0.055 nan 8.230 nan 0.000 0.438 554 M N -0.259 119.305 119.600 -0.059 0.000 2.595 554 M HA 0.167 4.647 4.480 -0.001 0.000 0.248 554 M C 0.944 177.327 176.300 0.138 0.000 1.119 554 M CA 0.732 56.144 55.300 0.188 0.000 1.079 554 M CB 0.156 32.933 32.600 0.295 0.000 1.472 554 M HN 0.440 nan 8.290 nan 0.000 0.501 555 G N 1.258 110.099 108.800 0.068 0.000 2.356 555 G HA2 0.085 4.044 3.960 -0.001 0.000 0.233 555 G HA3 0.085 4.044 3.960 -0.001 0.000 0.233 555 G C 0.234 175.178 174.900 0.073 0.000 1.105 555 G CA -0.130 45.006 45.100 0.061 0.000 0.861 555 G HN 0.888 nan 8.290 nan 0.000 0.493 556 G N -0.407 108.429 108.800 0.059 0.000 2.746 556 G HA2 0.177 4.137 3.960 -0.001 0.000 0.685 556 G HA3 0.177 4.137 3.960 -0.001 0.000 0.685 556 G C 0.888 175.855 174.900 0.113 0.000 1.350 556 G CA 0.438 45.574 45.100 0.060 0.000 0.837 556 G HN 1.639 nan 8.290 nan 0.000 0.564 557 K N -0.082 120.373 120.400 0.091 0.000 2.097 557 K HA -0.044 4.275 4.320 -0.001 0.000 0.206 557 K C 1.829 178.565 176.600 0.227 0.000 1.049 557 K CA 1.897 58.271 56.287 0.144 0.000 0.933 557 K CB -0.011 32.542 32.500 0.089 0.000 0.717 557 K HN 0.611 nan 8.250 nan 0.000 0.442 558 E N 0.948 121.251 120.200 0.171 0.000 2.051 558 E HA -0.141 4.209 4.350 -0.001 0.000 0.192 558 E C 2.198 178.912 176.600 0.190 0.000 0.991 558 E CA 1.826 58.328 56.400 0.171 0.000 0.799 558 E CB -0.122 29.656 29.700 0.130 0.000 0.748 558 E HN 0.431 nan 8.360 nan 0.000 0.449 559 M N -0.272 119.438 119.600 0.182 0.000 2.229 559 M HA -0.115 4.365 4.480 -0.001 0.000 0.264 559 M C 2.221 178.657 176.300 0.227 0.000 1.063 559 M CA 1.112 56.519 55.300 0.178 0.000 1.114 559 M CB -0.443 32.248 32.600 0.151 0.000 1.387 559 M HN 0.095 nan 8.290 nan 0.000 0.420 560 F N 1.405 121.430 119.950 0.125 0.000 2.102 560 F HA -0.171 4.356 4.527 -0.001 0.000 0.298 560 F C 2.154 178.053 175.800 0.165 0.000 1.105 560 F CA 1.496 59.589 58.000 0.155 0.000 1.239 560 F CB -0.179 38.896 39.000 0.124 0.000 0.991 560 F HN -0.222 nan 8.300 nan 0.000 0.474 561 V N -0.253 119.847 119.914 0.311 0.000 2.407 561 V HA -0.293 3.826 4.120 -0.001 0.000 0.248 561 V C 2.300 178.492 176.094 0.163 0.000 1.055 561 V CA 2.307 64.740 62.300 0.222 0.000 1.049 561 V CB -1.024 30.979 31.823 0.299 0.000 0.662 561 V HN 0.437 nan 8.190 nan 0.000 0.455 562 T N -0.333 114.320 114.554 0.164 0.000 2.684 562 T HA -0.279 4.071 4.350 -0.001 0.000 0.267 562 T C 1.890 176.678 174.700 0.147 0.000 1.036 562 T CA 2.182 64.372 62.100 0.151 0.000 1.148 562 T CB -0.308 68.644 68.868 0.140 0.000 0.863 562 T HN 0.303 nan 8.240 nan 0.000 0.436 563 M N 0.705 120.386 119.600 0.136 0.000 2.080 563 M HA -0.008 4.471 4.480 -0.001 0.000 0.260 563 M C 2.130 178.583 176.300 0.255 0.000 1.068 563 M CA 1.641 57.068 55.300 0.211 0.000 1.109 563 M CB -0.477 32.205 32.600 0.137 0.000 1.342 563 M HN 0.171 nan 8.290 nan 0.000 0.405 564 M N -0.461 119.136 119.600 -0.006 0.000 2.065 564 M HA -0.253 4.227 4.480 -0.001 0.000 0.259 564 M C 1.684 177.973 176.300 -0.020 0.000 1.069 564 M CA 1.840 56.975 55.300 -0.275 0.000 1.110 564 M CB -1.124 31.051 32.600 -0.708 0.000 1.328 564 M HN 0.225 nan 8.290 nan 0.000 0.405 565 D N 0.525 121.023 120.400 0.163 0.000 2.149 565 D HA -0.118 4.522 4.640 -0.001 0.000 0.198 565 D C 2.020 178.419 176.300 0.166 0.000 0.990 565 D CA 1.873 56.040 54.000 0.279 0.000 0.839 565 D CB -0.266 40.686 40.800 0.253 0.000 0.948 565 D HN 0.419 nan 8.370 nan 0.000 0.460 566 S N -0.243 115.500 115.700 0.072 0.000 2.481 566 S HA -0.054 4.416 4.470 -0.001 0.000 0.231 566 S C 2.143 176.573 174.600 -0.282 0.000 0.996 566 S CA 0.264 58.428 58.200 -0.059 0.000 0.942 566 S CB -0.289 62.890 63.200 -0.036 0.000 0.768 566 S HN 0.054 nan 8.310 nan 0.000 0.520 567 V N 0.933 120.672 119.914 -0.291 0.000 2.343 567 V HA -0.128 3.992 4.120 -0.001 0.000 0.247 567 V C 2.058 177.804 176.094 -0.580 0.000 1.051 567 V CA 1.887 63.881 62.300 -0.511 0.000 1.036 567 V CB -0.945 30.556 31.823 -0.536 0.000 0.654 567 V HN 0.543 nan 8.190 nan 0.000 0.451 568 F N 0.218 119.986 119.950 -0.304 0.000 2.416 568 F HA 0.168 4.694 4.527 -0.001 0.000 0.296 568 F C 2.302 178.019 175.800 -0.137 0.000 1.099 568 F CA 0.923 58.729 58.000 -0.324 0.000 1.427 568 F CB -0.709 37.883 39.000 -0.680 0.000 1.079 568 F HN 0.074 nan 8.300 nan 0.000 0.536 569 A N 0.260 123.114 122.820 0.057 0.000 2.016 569 A HA 0.102 4.422 4.320 -0.001 0.000 0.217 569 A C 1.085 178.660 177.584 -0.015 0.000 1.162 569 A CA 0.771 52.843 52.037 0.060 0.000 0.662 569 A CB -1.008 18.031 19.000 0.064 0.000 0.812 569 A HN 0.095 nan 8.150 nan 0.000 0.450 570 V N -1.658 118.187 119.914 -0.115 0.000 2.732 570 V HA 0.453 4.572 4.120 -0.001 0.000 0.297 570 V C -2.498 173.544 176.094 -0.087 0.000 1.060 570 V CA -2.520 59.700 62.300 -0.134 0.000 1.038 570 V CB 0.699 32.360 31.823 -0.269 0.000 1.003 570 V HN 0.246 nan 8.190 nan 0.000 0.481 571 P HA 0.179 nan 4.420 nan 0.000 0.269 571 P C -2.547 174.750 177.300 -0.006 0.000 1.217 571 P CA -1.260 61.834 63.100 -0.010 0.000 0.783 571 P CB -0.307 31.392 31.700 -0.002 0.000 0.898 572 P HA 0.135 nan 4.420 nan 0.000 0.220 572 P C -0.008 177.411 177.300 0.199 0.000 1.806 572 P CA -0.203 62.959 63.100 0.105 0.000 0.976 572 P CB -0.327 31.437 31.700 0.107 0.000 1.952 573 I N 2.887 123.537 120.570 0.134 0.000 2.713 573 I HA 0.541 4.710 4.170 -0.001 0.000 0.300 573 I C -0.224 176.049 176.117 0.260 0.000 1.009 573 I CA -1.641 59.731 61.300 0.119 0.000 1.305 573 I CB -0.065 37.925 38.000 -0.016 0.000 1.430 573 I HN 0.122 nan 8.210 nan 0.000 0.546 574 F N 2.967 122.955 119.950 0.063 0.000 2.773 574 F HA 0.540 5.067 4.527 -0.001 0.000 0.314 574 F C -1.659 174.198 175.800 0.096 0.000 1.160 574 F CA -1.158 56.923 58.000 0.136 0.000 0.920 574 F CB 1.063 40.105 39.000 0.069 0.000 1.323 574 F HN 0.367 nan 8.300 nan 0.000 0.457 575 D N 1.373 121.996 120.400 0.372 0.000 2.469 575 D HA 0.221 4.861 4.640 -0.001 0.000 0.251 575 D C -0.669 175.872 176.300 0.403 0.000 1.173 575 D CA -0.394 53.747 54.000 0.235 0.000 0.882 575 D CB 1.296 42.203 40.800 0.180 0.000 1.129 575 D HN 0.697 nan 8.370 nan 0.000 0.549 576 D N 1.513 122.132 120.400 0.365 0.000 2.368 576 D HA -0.056 4.584 4.640 -0.001 0.000 0.218 576 D C 1.073 177.573 176.300 0.333 0.000 1.112 576 D CA -0.107 54.127 54.000 0.389 0.000 0.834 576 D CB -0.035 40.956 40.800 0.319 0.000 0.953 576 D HN 0.222 nan 8.370 nan 0.000 0.505 577 S N 0.045 115.896 115.700 0.252 0.000 2.407 577 S HA -0.310 4.159 4.470 -0.001 0.000 0.235 577 S C 1.856 176.560 174.600 0.174 0.000 1.036 577 S CA 0.797 59.105 58.200 0.179 0.000 1.013 577 S CB -1.110 62.176 63.200 0.143 0.000 0.820 577 S HN 0.459 nan 8.310 nan 0.000 0.476 578 Y N 1.206 121.545 120.300 0.064 0.000 2.497 578 Y HA -0.006 4.544 4.550 -0.001 0.000 0.292 578 Y C 1.380 177.138 175.900 -0.236 0.000 1.137 578 Y CA 0.790 58.823 58.100 -0.112 0.000 1.285 578 Y CB -0.164 38.178 38.460 -0.196 0.000 0.991 578 Y HN 0.266 nan 8.280 nan 0.000 0.556 579 Y N -1.476 118.857 120.300 0.055 0.000 2.462 579 Y HA 0.307 4.857 4.550 -0.000 0.000 0.253 579 Y C 2.136 178.021 175.900 -0.025 0.000 1.095 579 Y CA 0.334 58.412 58.100 -0.037 0.000 1.283 579 Y CB 0.370 38.857 38.460 0.044 0.000 1.138 579 Y HN 0.085 nan 8.280 nan 0.000 0.522 580 G N 0.470 109.358 108.800 0.146 0.000 2.328 580 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.256 580 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.256 580 G C 0.303 175.269 174.900 0.110 0.000 1.014 580 G CA 0.704 45.862 45.100 0.096 0.000 0.620 580 G HN 0.459 nan 8.290 nan 0.000 0.530 581 Q N -0.827 119.053 119.800 0.134 0.000 2.495 581 Q HA 0.669 5.008 4.340 -0.001 0.000 0.287 581 Q C -0.593 175.434 176.000 0.044 0.000 1.078 581 Q CA -0.874 54.987 55.803 0.097 0.000 0.793 581 Q CB 2.053 30.852 28.738 0.102 0.000 1.459 581 Q HN 0.390 nan 8.270 nan 0.000 0.422 582 V N 3.649 123.566 119.914 0.005 0.000 2.242 582 V HA 0.080 4.199 4.120 -0.001 0.000 0.242 582 V C 0.812 176.760 176.094 -0.244 0.000 1.240 582 V CA -0.125 62.088 62.300 -0.145 0.000 1.211 582 V CB -1.823 29.937 31.823 -0.106 0.000 1.338 582 V HN 0.641 nan 8.190 nan 0.000 0.499 583 I N 0.697 121.050 120.570 -0.361 0.000 3.094 583 I HA 0.047 4.217 4.170 -0.001 0.000 0.291 583 I C 1.872 177.728 176.117 -0.435 0.000 1.250 583 I CA 0.042 61.097 61.300 -0.408 0.000 1.401 583 I CB 0.108 37.732 38.000 -0.627 0.000 1.343 583 I HN 0.721 nan 8.210 nan 0.000 0.599 584 H N 2.210 121.063 119.070 -0.362 0.000 2.390 584 H HA -0.185 4.370 4.556 -0.001 0.000 0.298 584 H C 1.499 176.674 175.328 -0.256 0.000 1.106 584 H CA 1.735 57.625 56.048 -0.264 0.000 1.297 584 H CB -0.456 29.196 29.762 -0.184 0.000 1.375 584 H HN 0.757 nan 8.280 nan 0.000 0.509 585 E N 1.063 120.766 120.200 -0.829 0.000 2.208 585 E HA -0.093 4.257 4.350 -0.001 0.000 0.193 585 E C 2.203 178.531 176.600 -0.453 0.000 0.988 585 E CA 1.079 57.175 56.400 -0.506 0.000 0.828 585 E CB -0.171 29.281 29.700 -0.414 0.000 0.763 585 E HN 0.628 nan 8.360 nan 0.000 0.478 586 I N 1.032 121.115 120.570 -0.812 0.000 2.233 586 I HA -0.197 3.973 4.170 -0.001 0.000 0.243 586 I C 2.818 178.523 176.117 -0.686 0.000 1.093 586 I CA 0.845 61.460 61.300 -1.141 0.000 1.380 586 I CB -0.187 36.864 38.000 -1.581 0.000 1.067 586 I HN 0.023 nan 8.210 nan 0.000 0.413 587 R N 1.678 121.876 120.500 -0.503 0.000 2.083 587 R HA -0.214 4.126 4.340 -0.001 0.000 0.237 587 R C 1.997 178.189 176.300 -0.179 0.000 1.137 587 R CA 1.835 57.760 56.100 -0.292 0.000 0.951 587 R CB -0.461 29.735 30.300 -0.173 0.000 0.851 587 R HN 0.349 nan 8.270 nan 0.000 0.434 588 E N -0.333 119.781 120.200 -0.144 0.000 2.130 588 E HA -0.262 4.088 4.350 -0.001 0.000 0.196 588 E C 1.952 178.512 176.600 -0.068 0.000 0.998 588 E CA 1.682 58.041 56.400 -0.069 0.000 0.806 588 E CB -0.245 29.435 29.700 -0.032 0.000 0.738 588 E HN 0.413 nan 8.360 nan 0.000 0.459 589 M N 0.796 120.340 119.600 -0.093 0.000 2.156 589 M HA -0.152 4.328 4.480 -0.001 0.000 0.264 589 M C 2.447 178.734 176.300 -0.021 0.000 1.067 589 M CA 1.957 57.235 55.300 -0.037 0.000 1.131 589 M CB -0.269 32.359 32.600 0.045 0.000 1.368 589 M HN 0.202 nan 8.290 nan 0.000 0.416 590 T N -1.224 113.292 114.554 -0.064 0.000 2.788 590 T HA -0.096 4.253 4.350 -0.001 0.000 0.268 590 T C 1.541 176.248 174.700 0.011 0.000 1.044 590 T CA 1.609 63.703 62.100 -0.011 0.000 1.139 590 T CB -1.426 67.431 68.868 -0.019 0.000 0.867 590 T HN 0.425 nan 8.240 nan 0.000 0.454 591 V N -1.355 118.555 119.914 -0.006 0.000 2.871 591 V HA 0.150 4.269 4.120 -0.001 0.000 0.256 591 V C 2.450 178.556 176.094 0.020 0.000 1.082 591 V CA 0.773 63.078 62.300 0.009 0.000 1.105 591 V CB -1.013 30.810 31.823 0.001 0.000 0.713 591 V HN 0.244 nan 8.190 nan 0.000 0.473 592 M N 0.730 120.345 119.600 0.023 0.000 2.562 592 M HA 0.130 4.609 4.480 -0.001 0.000 0.257 592 M C 1.212 177.551 176.300 0.065 0.000 1.099 592 M CA 0.641 55.965 55.300 0.039 0.000 1.099 592 M CB -1.868 30.755 32.600 0.039 0.000 1.427 592 M HN 0.833 nan 8.290 nan 0.000 0.489 593 N N 0.961 119.700 118.700 0.066 0.000 2.738 593 N HA -0.180 4.559 4.740 -0.001 0.000 0.249 593 N C -0.710 174.874 175.510 0.124 0.000 1.047 593 N CA 0.110 53.210 53.050 0.082 0.000 0.707 593 N CB -0.463 38.067 38.487 0.073 0.000 0.937 593 N HN 0.351 nan 8.380 nan 0.000 0.545 594 M N 0.906 120.586 119.600 0.134 0.000 3.101 594 M HA 0.211 4.691 4.480 -0.001 0.000 0.307 594 M C 1.152 177.524 176.300 0.119 0.000 1.315 594 M CA 0.254 55.672 55.300 0.196 0.000 0.734 594 M CB 0.880 33.641 32.600 0.269 0.000 1.392 594 M HN 0.406 nan 8.290 nan 0.000 0.496 595 G N 1.903 110.744 108.800 0.069 0.000 2.634 595 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.309 595 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.309 595 G C 0.419 175.298 174.900 -0.035 0.000 1.265 595 G CA 0.388 45.474 45.100 -0.022 0.000 0.998 595 G HN 0.642 nan 8.290 nan 0.000 0.551 596 N N 0.095 118.719 118.700 -0.126 0.000 2.276 596 N HA 0.085 4.824 4.740 -0.001 0.000 0.212 596 N C -0.118 175.390 175.510 -0.003 0.000 1.127 596 N CA -0.034 53.008 53.050 -0.014 0.000 0.834 596 N CB 0.231 38.657 38.487 -0.101 0.000 1.014 596 N HN 0.432 nan 8.380 nan 0.000 0.491 597 Y N 2.057 122.191 120.300 -0.275 0.000 2.620 597 Y HA 0.235 4.784 4.550 -0.001 0.000 0.352 597 Y C 0.269 176.065 175.900 -0.173 0.000 1.140 597 Y CA -0.959 56.943 58.100 -0.331 0.000 1.529 597 Y CB -0.140 38.031 38.460 -0.483 0.000 1.321 597 Y HN -0.021 nan 8.280 nan 0.000 0.501 598 A N 5.882 128.328 122.820 -0.624 0.000 3.091 598 A HA 0.064 4.384 4.320 -0.001 0.000 0.264 598 A C 1.470 178.676 177.584 -0.630 0.000 1.673 598 A CA -0.241 51.479 52.037 -0.528 0.000 1.362 598 A CB -1.070 17.595 19.000 -0.558 0.000 1.137 598 A HN 0.995 nan 8.150 nan 0.000 0.617 599 H N 1.530 120.121 119.070 -0.799 0.000 2.489 599 H HA -0.145 4.411 4.556 -0.001 0.000 0.295 599 H C 1.889 176.964 175.328 -0.422 0.000 1.082 599 H CA 1.676 57.289 56.048 -0.724 0.000 1.295 599 H CB 0.188 29.660 29.762 -0.484 0.000 1.380 599 H HN 0.635 nan 8.280 nan 0.000 0.548 600 G N -0.014 108.636 108.800 -0.249 0.000 2.625 600 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.214 600 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.214 600 G C 0.467 175.271 174.900 -0.160 0.000 1.132 600 G CA 0.070 45.076 45.100 -0.156 0.000 0.782 600 G HN 0.272 nan 8.290 nan 0.000 0.538 601 N N -1.915 116.637 118.700 -0.247 0.000 2.321 601 N HA 0.366 5.105 4.740 -0.001 0.000 0.290 601 N C 0.829 176.208 175.510 -0.218 0.000 1.212 601 N CA -0.680 52.283 53.050 -0.145 0.000 0.767 601 N CB 1.726 40.180 38.487 -0.056 0.000 1.494 601 N HN -0.204 nan 8.380 nan 0.000 0.479 602 Q N 0.425 120.161 119.800 -0.107 0.000 2.119 602 Q HA 0.082 4.421 4.340 -0.001 0.000 0.201 602 Q C -1.164 174.664 176.000 -0.287 0.000 0.972 602 Q CA 1.755 57.404 55.803 -0.257 0.000 0.847 602 Q CB -0.850 27.633 28.738 -0.425 0.000 0.903 602 Q HN 0.591 nan 8.270 nan 0.000 0.433 603 P HA -0.140 nan 4.420 nan 0.000 0.216 603 P C 0.791 178.009 177.300 -0.137 0.000 1.150 603 P CA 1.117 64.035 63.100 -0.302 0.000 0.837 603 P CB 0.093 31.476 31.700 -0.529 0.000 0.786 604 I N -1.121 119.318 120.570 -0.218 0.000 3.793 604 I HA -0.007 4.163 4.170 -0.001 0.000 0.315 604 I C 1.645 177.662 176.117 -0.167 0.000 1.275 604 I CA 0.383 61.557 61.300 -0.211 0.000 1.214 604 I CB -0.107 37.685 38.000 -0.347 0.000 1.018 604 I HN -0.095 nan 8.210 nan 0.000 0.439 605 Q N -0.077 119.660 119.800 -0.105 0.000 2.364 605 Q HA -0.201 4.139 4.340 -0.001 0.000 0.207 605 Q C 1.659 177.846 176.000 0.312 0.000 0.970 605 Q CA 1.157 56.927 55.803 -0.055 0.000 0.888 605 Q CB 0.012 28.637 28.738 -0.189 0.000 0.951 605 Q HN 0.698 nan 8.270 nan 0.000 0.469 606 H N -1.380 117.816 119.070 0.210 0.000 2.595 606 H HA 0.125 4.680 4.556 -0.001 0.000 0.265 606 H C 1.775 177.258 175.328 0.258 0.000 0.953 606 H CA 0.096 56.297 56.048 0.256 0.000 1.197 606 H CB -0.266 29.716 29.762 0.366 0.000 1.438 606 H HN 0.183 nan 8.280 nan 0.000 0.531 607 M N 1.488 120.791 119.600 -0.495 0.000 2.082 607 M HA -0.159 4.321 4.480 -0.001 0.000 0.258 607 M C 1.874 178.000 176.300 -0.289 0.000 1.069 607 M CA 1.650 56.604 55.300 -0.577 0.000 1.102 607 M CB -0.293 31.900 32.600 -0.679 0.000 1.336 607 M HN 0.225 nan 8.290 nan 0.000 0.404 608 I N -0.386 120.134 120.570 -0.084 0.000 2.248 608 I HA -0.351 3.819 4.170 -0.001 0.000 0.248 608 I C 1.948 178.097 176.117 0.053 0.000 1.107 608 I CA 1.645 62.930 61.300 -0.025 0.000 1.373 608 I CB -0.726 37.264 38.000 -0.018 0.000 1.055 608 I HN 0.327 nan 8.210 nan 0.000 0.418 609 Y N -0.210 120.173 120.300 0.139 0.000 2.421 609 Y HA -0.188 4.362 4.550 -0.001 0.000 0.292 609 Y C 2.212 178.285 175.900 0.288 0.000 1.136 609 Y CA 0.477 58.717 58.100 0.233 0.000 1.255 609 Y CB -0.182 38.435 38.460 0.261 0.000 0.991 609 Y HN 0.093 nan 8.280 nan 0.000 0.552 610 L N -1.297 120.074 121.223 0.248 0.000 2.187 610 L HA -0.256 4.084 4.340 -0.001 0.000 0.213 610 L C 1.779 178.827 176.870 0.296 0.000 1.100 610 L CA 1.477 56.431 54.840 0.189 0.000 0.765 610 L CB -1.418 40.644 42.059 0.004 0.000 0.904 610 L HN 0.260 nan 8.230 nan 0.000 0.437 611 Y N 0.193 120.613 120.300 0.200 0.000 2.228 611 Y HA -0.302 4.248 4.550 -0.001 0.000 0.285 611 Y C 2.393 178.373 175.900 0.134 0.000 1.178 611 Y CA 1.543 59.723 58.100 0.133 0.000 1.202 611 Y CB -0.618 37.844 38.460 0.004 0.000 0.974 611 Y HN 0.283 nan 8.280 nan 0.000 0.527 612 D N -1.370 119.254 120.400 0.373 0.000 2.123 612 D HA -0.204 4.436 4.640 -0.001 0.000 0.196 612 D C 1.829 178.243 176.300 0.190 0.000 0.992 612 D CA 1.458 55.610 54.000 0.254 0.000 0.833 612 D CB -0.607 40.351 40.800 0.264 0.000 0.954 612 D HN 0.376 nan 8.370 nan 0.000 0.455 613 Y N 0.332 120.695 120.300 0.105 0.000 2.497 613 Y HA 0.081 4.630 4.550 -0.001 0.000 0.292 613 Y C 2.033 177.906 175.900 -0.045 0.000 1.137 613 Y CA 0.705 58.815 58.100 0.016 0.000 1.285 613 Y CB -0.175 38.255 38.460 -0.050 0.000 0.991 613 Y HN -0.063 nan 8.280 nan 0.000 0.556 614 A N -0.865 122.045 122.820 0.150 0.000 2.465 614 A HA 0.518 4.837 4.320 -0.001 0.000 0.255 614 A C 1.772 179.408 177.584 0.087 0.000 1.274 614 A CA 0.429 52.517 52.037 0.086 0.000 0.920 614 A CB -0.766 18.355 19.000 0.202 0.000 1.033 614 A HN 0.466 nan 8.150 nan 0.000 0.516 615 G N -0.533 108.308 108.800 0.068 0.000 2.176 615 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.252 615 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.252 615 G C -0.005 174.848 174.900 -0.077 0.000 1.024 615 G CA 0.455 45.588 45.100 0.054 0.000 0.755 615 G HN 0.602 nan 8.290 nan 0.000 0.507 616 Q N -0.690 118.934 119.800 -0.294 0.000 2.928 616 Q HA 0.196 4.535 4.340 -0.001 0.000 0.353 616 Q C -1.636 173.871 176.000 -0.822 0.000 0.870 616 Q CA -1.489 53.636 55.803 -1.129 0.000 0.963 616 Q CB 1.727 29.867 28.738 -0.997 0.000 1.419 616 Q HN 0.326 nan 8.270 nan 0.000 0.396 617 P HA -0.189 nan 4.420 nan 0.000 0.219 617 P C 0.798 178.130 177.300 0.054 0.000 1.146 617 P CA 1.099 64.203 63.100 0.006 0.000 0.808 617 P CB -0.108 31.694 31.700 0.169 0.000 0.779 618 W N 1.243 122.610 121.300 0.110 0.000 2.402 618 W HA 0.068 4.728 4.660 -0.001 0.000 0.286 618 W C 1.810 178.425 176.519 0.161 0.000 1.221 618 W CA 0.796 58.244 57.345 0.173 0.000 1.257 618 W CB -1.447 28.031 29.460 0.031 0.000 1.120 618 W HN -0.169 nan 8.180 nan 0.000 0.551 619 K N 0.707 120.807 120.400 -0.500 0.000 2.148 619 K HA -0.033 4.287 4.320 -0.001 0.000 0.204 619 K C 2.468 178.856 176.600 -0.353 0.000 1.050 619 K CA 1.405 57.366 56.287 -0.544 0.000 0.942 619 K CB -0.440 31.326 32.500 -1.222 0.000 0.724 619 K HN 0.253 nan 8.250 nan 0.000 0.446 620 A N 1.448 124.144 122.820 -0.207 0.000 1.898 620 A HA -0.221 4.098 4.320 -0.001 0.000 0.216 620 A C 2.031 179.609 177.584 -0.011 0.000 1.181 620 A CA 1.277 53.327 52.037 0.022 0.000 0.620 620 A CB -0.414 18.643 19.000 0.095 0.000 0.819 620 A HN 0.282 nan 8.150 nan 0.000 0.442 621 Q N -1.833 118.007 119.800 0.068 0.000 2.061 621 Q HA -0.227 4.112 4.340 -0.001 0.000 0.204 621 Q C 2.017 177.978 176.000 -0.065 0.000 0.984 621 Q CA 2.014 57.863 55.803 0.077 0.000 0.846 621 Q CB -0.452 28.438 28.738 0.254 0.000 0.902 621 Q HN 0.844 nan 8.270 nan 0.000 0.421 622 Y N -0.512 119.693 120.300 -0.159 0.000 2.114 622 Y HA -0.278 4.271 4.550 -0.001 0.000 0.284 622 Y C 1.556 177.047 175.900 -0.681 0.000 1.143 622 Y CA 1.705 59.516 58.100 -0.483 0.000 1.135 622 Y CB -0.329 37.895 38.460 -0.394 0.000 0.980 622 Y HN 0.134 nan 8.280 nan 0.000 0.499 623 W N -0.702 120.399 121.300 -0.333 0.000 2.409 623 W HA -0.127 4.533 4.660 -0.000 0.000 0.299 623 W C 2.114 178.385 176.519 -0.413 0.000 1.203 623 W CA 0.213 57.272 57.345 -0.475 0.000 1.298 623 W CB -0.562 28.596 29.460 -0.503 0.000 1.127 623 W HN 0.064 nan 8.180 nan 0.000 0.528 624 L N 0.713 121.878 121.223 -0.097 0.000 2.013 624 L HA -0.241 4.098 4.340 -0.001 0.000 0.212 624 L C 2.495 179.276 176.870 -0.148 0.000 1.073 624 L CA 1.855 56.647 54.840 -0.080 0.000 0.753 624 L CB -1.546 40.405 42.059 -0.179 0.000 0.890 624 L HN -0.024 nan 8.230 nan 0.000 0.432 625 R N -0.750 119.532 120.500 -0.363 0.000 2.092 625 R HA -0.116 4.224 4.340 -0.001 0.000 0.231 625 R C 2.167 178.194 176.300 -0.456 0.000 1.119 625 R CA 1.093 56.922 56.100 -0.452 0.000 0.970 625 R CB -0.335 29.534 30.300 -0.719 0.000 0.864 625 R HN 0.359 nan 8.270 nan 0.000 0.440 626 Q N 0.086 119.531 119.800 -0.591 0.000 2.029 626 Q HA -0.162 4.178 4.340 -0.001 0.000 0.209 626 Q C 2.157 178.069 176.000 -0.146 0.000 0.999 626 Q CA 2.131 57.685 55.803 -0.416 0.000 0.857 626 Q CB -0.738 27.758 28.738 -0.404 0.000 0.926 626 Q HN 0.296 nan 8.270 nan 0.000 0.415 627 V N 1.083 120.965 119.914 -0.053 0.000 2.287 627 V HA -0.289 3.831 4.120 -0.001 0.000 0.248 627 V C 2.436 178.618 176.094 0.147 0.000 1.053 627 V CA 2.003 64.312 62.300 0.016 0.000 1.027 627 V CB -0.580 31.224 31.823 -0.031 0.000 0.646 627 V HN 0.358 nan 8.190 nan 0.000 0.447 628 M N -0.508 119.189 119.600 0.161 0.000 2.213 628 M HA -0.164 4.315 4.480 -0.001 0.000 0.263 628 M C 1.779 178.201 176.300 0.203 0.000 1.062 628 M CA 1.571 57.016 55.300 0.242 0.000 1.105 628 M CB -0.452 32.131 32.600 -0.029 0.000 1.385 628 M HN 0.330 nan 8.290 nan 0.000 0.417 629 D N -0.186 120.231 120.400 0.028 0.000 2.213 629 D HA -0.026 4.614 4.640 -0.001 0.000 0.205 629 D C 1.901 178.214 176.300 0.021 0.000 0.961 629 D CA 1.055 55.047 54.000 -0.013 0.000 0.853 629 D CB 0.098 40.826 40.800 -0.121 0.000 0.967 629 D HN 0.356 nan 8.370 nan 0.000 0.496 630 R N -0.800 119.715 120.500 0.025 0.000 2.287 630 R HA 0.270 4.609 4.340 -0.001 0.000 0.197 630 R C 1.507 177.813 176.300 0.010 0.000 0.900 630 R CA 0.082 56.188 56.100 0.009 0.000 1.052 630 R CB 0.403 30.698 30.300 -0.009 0.000 1.117 630 R HN 0.058 nan 8.270 nan 0.000 0.568 631 M N -0.115 119.499 119.600 0.023 0.000 2.428 631 M HA 0.207 4.687 4.480 -0.001 0.000 0.239 631 M C -0.613 175.498 176.300 -0.316 0.000 1.121 631 M CA 0.592 55.810 55.300 -0.138 0.000 1.019 631 M CB 0.260 32.707 32.600 -0.255 0.000 1.485 631 M HN -0.041 nan 8.290 nan 0.000 0.484 632 Y N 0.389 120.680 120.300 -0.016 0.000 2.346 632 Y HA 0.421 4.971 4.550 -0.001 0.000 0.332 632 Y C 0.373 176.186 175.900 -0.145 0.000 0.985 632 Y CA -1.063 56.966 58.100 -0.117 0.000 1.112 632 Y CB 1.630 39.995 38.460 -0.158 0.000 1.170 632 Y HN 0.024 nan 8.280 nan 0.000 0.447 633 T N -0.369 114.148 114.554 -0.063 0.000 2.906 633 T HA 0.443 4.793 4.350 -0.001 0.000 0.295 633 T C -2.684 171.945 174.700 -0.118 0.000 1.075 633 T CA -2.500 59.559 62.100 -0.067 0.000 1.005 633 T CB 2.647 71.483 68.868 -0.054 0.000 1.136 633 T HN 0.289 nan 8.240 nan 0.000 0.498 634 P HA 0.231 nan 4.420 nan 0.000 0.257 634 P C 0.826 178.087 177.300 -0.065 0.000 1.281 634 P CA -0.003 63.055 63.100 -0.070 0.000 0.826 634 P CB -0.182 31.514 31.700 -0.007 0.000 1.237 635 G N 1.559 110.309 108.800 -0.084 0.000 2.525 635 G HA2 0.265 4.224 3.960 -0.001 0.000 0.287 635 G HA3 0.265 4.224 3.960 -0.001 0.000 0.287 635 G C -1.724 173.091 174.900 -0.142 0.000 1.350 635 G CA -1.317 43.717 45.100 -0.110 0.000 1.039 635 G HN -0.140 nan 8.290 nan 0.000 0.513 636 P HA 0.003 nan 4.420 nan 0.000 0.220 636 P C 0.443 177.668 177.300 -0.124 0.000 1.148 636 P CA 1.134 64.060 63.100 -0.290 0.000 0.803 636 P CB 0.181 31.361 31.700 -0.866 0.000 0.782 637 D N -1.531 118.799 120.400 -0.117 0.000 2.894 637 D HA 0.132 4.772 4.640 -0.001 0.000 0.248 637 D C 1.482 177.769 176.300 -0.022 0.000 1.291 637 D CA -0.463 53.520 54.000 -0.029 0.000 0.840 637 D CB -0.918 39.864 40.800 -0.031 0.000 1.044 637 D HN 0.021 nan 8.370 nan 0.000 0.484 638 G N -0.368 108.406 108.800 -0.044 0.000 2.403 638 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.216 638 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.216 638 G C 0.253 175.022 174.900 -0.218 0.000 1.154 638 G CA 0.423 45.426 45.100 -0.162 0.000 0.784 638 G HN 0.265 nan 8.290 nan 0.000 0.538 639 Y N -1.124 119.158 120.300 -0.031 0.000 2.408 639 Y HA 0.355 4.904 4.550 -0.001 0.000 0.324 639 Y C 1.594 177.419 175.900 -0.125 0.000 1.302 639 Y CA -0.795 57.238 58.100 -0.112 0.000 1.384 639 Y CB 0.936 39.375 38.460 -0.035 0.000 1.367 639 Y HN 0.087 nan 8.280 nan 0.000 0.525 640 C N -1.746 117.555 119.300 0.002 0.000 3.000 640 C HA 0.851 5.311 4.460 -0.001 0.000 0.286 640 C C 0.549 175.548 174.990 0.016 0.000 1.343 640 C CA 0.040 59.043 59.018 -0.024 0.000 1.742 640 C CB -1.244 26.436 27.740 -0.100 0.000 2.200 640 C HN 0.944 nan 8.230 nan 0.000 0.621 641 G N -0.328 108.507 108.800 0.059 0.000 2.428 641 G HA2 0.433 4.393 3.960 -0.001 0.000 0.304 641 G HA3 0.433 4.393 3.960 -0.001 0.000 0.304 641 G C -2.189 172.762 174.900 0.084 0.000 1.303 641 G CA -0.523 44.626 45.100 0.083 0.000 0.825 641 G HN 0.053 nan 8.290 nan 0.000 0.484 642 D N 0.570 121.051 120.400 0.135 0.000 2.488 642 D HA 0.136 4.776 4.640 -0.001 0.000 0.238 642 D C 1.294 177.562 176.300 -0.052 0.000 1.138 642 D CA -0.131 53.925 54.000 0.094 0.000 0.873 642 D CB 1.709 42.645 40.800 0.225 0.000 1.183 642 D HN 0.442 nan 8.370 nan 0.000 0.458 643 E N 1.548 121.615 120.200 -0.221 0.000 2.150 643 E HA -0.186 4.163 4.350 -0.001 0.000 0.193 643 E C -0.422 176.108 176.600 -0.117 0.000 0.985 643 E CA 0.612 56.775 56.400 -0.395 0.000 0.814 643 E CB 0.106 29.393 29.700 -0.688 0.000 0.752 643 E HN 0.399 nan 8.360 nan 0.000 0.466 644 D N 0.451 120.835 120.400 -0.027 0.000 2.746 644 D HA -0.218 4.421 4.640 -0.001 0.000 0.241 644 D C -0.621 175.695 176.300 0.026 0.000 1.140 644 D CA 1.035 55.075 54.000 0.066 0.000 0.707 644 D CB -2.011 38.874 40.800 0.142 0.000 1.034 644 D HN 0.447 nan 8.370 nan 0.000 0.423 645 N N -1.280 117.376 118.700 -0.074 0.000 2.725 645 N HA -0.230 4.510 4.740 -0.001 0.000 0.249 645 N C 1.094 176.670 175.510 0.110 0.000 1.103 645 N CA 1.545 54.533 53.050 -0.103 0.000 0.707 645 N CB -1.055 37.297 38.487 -0.225 0.000 1.043 645 N HN 0.758 nan 8.380 nan 0.000 0.553 646 G N -1.348 107.511 108.800 0.097 0.000 2.238 646 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.217 646 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.217 646 G C 0.653 175.649 174.900 0.161 0.000 0.996 646 G CA 0.718 45.896 45.100 0.130 0.000 0.632 646 G HN 0.442 nan 8.290 nan 0.000 0.503 647 Q N 1.244 121.131 119.800 0.145 0.000 1.993 647 Q HA 0.011 4.351 4.340 -0.001 0.000 0.202 647 Q C 2.466 178.631 176.000 0.274 0.000 0.984 647 Q CA 3.152 59.063 55.803 0.181 0.000 0.837 647 Q CB -1.000 27.802 28.738 0.106 0.000 0.902 647 Q HN 0.466 nan 8.270 nan 0.000 0.423 648 T N 0.082 114.765 114.554 0.214 0.000 2.881 648 T HA -0.062 4.288 4.350 -0.001 0.000 0.270 648 T C 1.901 176.937 174.700 0.560 0.000 1.068 648 T CA 1.212 63.505 62.100 0.322 0.000 1.131 648 T CB -0.241 68.719 68.868 0.153 0.000 0.871 648 T HN 0.240 nan 8.240 nan 0.000 0.479 649 S N 1.397 117.350 115.700 0.422 0.000 2.362 649 S HA 0.102 4.572 4.470 -0.001 0.000 0.221 649 S C 2.611 177.441 174.600 0.383 0.000 1.032 649 S CA 0.757 59.230 58.200 0.456 0.000 0.973 649 S CB -0.481 62.904 63.200 0.307 0.000 0.849 649 S HN 0.576 nan 8.310 nan 0.000 0.465 650 A N 0.235 123.254 122.820 0.330 0.000 2.070 650 A HA -0.134 4.186 4.320 -0.001 0.000 0.220 650 A C 1.756 179.628 177.584 0.481 0.000 1.159 650 A CA 1.167 53.384 52.037 0.300 0.000 0.656 650 A CB -0.952 18.218 19.000 0.284 0.000 0.800 650 A HN 0.739 nan 8.150 nan 0.000 0.453 651 W N -0.916 120.642 121.300 0.431 0.000 2.358 651 W HA -0.244 4.416 4.660 -0.001 0.000 0.303 651 W C 1.975 178.744 176.519 0.417 0.000 1.208 651 W CA 1.951 59.624 57.345 0.547 0.000 1.274 651 W CB -0.339 29.430 29.460 0.515 0.000 1.138 651 W HN 0.455 nan 8.180 nan 0.000 0.515 652 Y N 0.317 120.953 120.300 0.559 0.000 2.200 652 Y HA -0.234 4.315 4.550 -0.001 0.000 0.290 652 Y C 2.280 178.196 175.900 0.027 0.000 1.137 652 Y CA 2.545 60.731 58.100 0.144 0.000 1.163 652 Y CB -0.780 37.475 38.460 -0.341 0.000 0.988 652 Y HN -0.171 nan 8.280 nan 0.000 0.518 653 V N -0.332 119.672 119.914 0.149 0.000 2.255 653 V HA -0.323 3.796 4.120 -0.001 0.000 0.247 653 V C 2.123 178.186 176.094 -0.051 0.000 1.051 653 V CA 2.139 64.397 62.300 -0.071 0.000 1.018 653 V CB -0.998 30.672 31.823 -0.254 0.000 0.641 653 V HN 0.316 nan 8.190 nan 0.000 0.445 654 F N 1.068 120.971 119.950 -0.080 0.000 2.075 654 F HA -0.165 4.362 4.527 -0.001 0.000 0.297 654 F C 2.774 178.366 175.800 -0.346 0.000 1.113 654 F CA 1.959 59.832 58.000 -0.211 0.000 1.218 654 F CB -0.849 38.099 39.000 -0.087 0.000 0.984 654 F HN 0.030 nan 8.300 nan 0.000 0.472 655 S N -0.105 115.491 115.700 -0.173 0.000 2.383 655 S HA -0.231 4.239 4.470 -0.001 0.000 0.229 655 S C 2.281 176.699 174.600 -0.304 0.000 1.030 655 S CA 1.074 59.067 58.200 -0.344 0.000 1.002 655 S CB -0.796 61.884 63.200 -0.868 0.000 0.829 655 S HN 0.393 nan 8.310 nan 0.000 0.467 656 A N 1.165 123.783 122.820 -0.336 0.000 1.969 656 A HA 0.066 4.385 4.320 -0.001 0.000 0.218 656 A C 2.041 179.549 177.584 -0.127 0.000 1.169 656 A CA 0.929 52.806 52.037 -0.268 0.000 0.635 656 A CB -0.568 18.351 19.000 -0.136 0.000 0.810 656 A HN 0.469 nan 8.150 nan 0.000 0.445 657 L N -1.899 119.219 121.223 -0.173 0.000 2.217 657 L HA 0.068 4.408 4.340 -0.001 0.000 0.211 657 L C 1.864 178.563 176.870 -0.286 0.000 1.107 657 L CA 0.969 55.647 54.840 -0.270 0.000 0.783 657 L CB -0.230 41.511 42.059 -0.531 0.000 0.919 657 L HN 0.611 nan 8.230 nan 0.000 0.442 658 G N -0.500 108.125 108.800 -0.292 0.000 2.205 658 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.180 658 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.180 658 G C -0.037 174.985 174.900 0.202 0.000 1.004 658 G CA -0.125 44.965 45.100 -0.016 0.000 0.670 658 G HN 0.274 nan 8.290 nan 0.000 0.496 659 F N -1.971 118.107 119.950 0.214 0.000 2.713 659 F HA 0.831 5.358 4.527 -0.001 0.000 0.311 659 F C -1.115 174.753 175.800 0.114 0.000 1.141 659 F CA -2.506 55.620 58.000 0.211 0.000 0.939 659 F CB 1.092 40.206 39.000 0.190 0.000 1.325 659 F HN 0.229 nan 8.300 nan 0.000 0.453 660 Y N 1.545 121.773 120.300 -0.121 0.000 2.479 660 Y HA 0.575 5.124 4.550 -0.001 0.000 0.338 660 Y C -2.893 172.735 175.900 -0.453 0.000 1.055 660 Y CA -2.368 55.356 58.100 -0.626 0.000 1.023 660 Y CB 3.272 41.001 38.460 -1.219 0.000 1.287 660 Y HN 0.451 nan 8.280 nan 0.000 0.447 661 P HA 0.081 nan 4.420 nan 0.000 0.238 661 P C 0.546 177.578 177.300 -0.446 0.000 1.794 661 P CA 0.272 62.973 63.100 -0.664 0.000 1.088 661 P CB 0.673 31.943 31.700 -0.718 0.000 1.923 662 V N 1.270 121.147 119.914 -0.061 0.000 2.282 662 V HA -0.223 3.897 4.120 -0.001 0.000 0.249 662 V C 1.468 177.593 176.094 0.052 0.000 1.057 662 V CA 1.872 64.291 62.300 0.198 0.000 1.032 662 V CB -0.405 31.618 31.823 0.334 0.000 0.645 662 V HN 0.534 nan 8.190 nan 0.000 0.447 663 C N 2.129 121.418 119.300 -0.019 0.000 2.492 663 C HA 0.517 4.976 4.460 -0.001 0.000 0.284 663 C C -2.564 172.402 174.990 -0.041 0.000 1.082 663 C CA -2.299 56.688 59.018 -0.052 0.000 1.555 663 C CB -0.356 27.371 27.740 -0.022 0.000 1.798 663 C HN 0.304 nan 8.230 nan 0.000 0.413 664 P HA 0.321 nan 4.420 nan 0.000 0.266 664 P C 0.889 178.290 177.300 0.168 0.000 1.195 664 P CA 1.816 64.931 63.100 0.024 0.000 0.768 664 P CB 0.559 32.307 31.700 0.080 0.000 0.838 665 G N 0.830 109.677 108.800 0.078 0.000 2.259 665 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.217 665 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.217 665 G C 0.389 175.367 174.900 0.129 0.000 1.001 665 G CA 0.269 45.453 45.100 0.142 0.000 0.627 665 G HN 0.854 nan 8.290 nan 0.000 0.501 666 T N -0.815 113.794 114.554 0.091 0.000 2.897 666 T HA 0.528 4.877 4.350 -0.001 0.000 0.278 666 T C 0.726 175.339 174.700 -0.144 0.000 0.981 666 T CA 0.613 62.685 62.100 -0.046 0.000 0.973 666 T CB 1.752 70.550 68.868 -0.116 0.000 1.092 666 T HN 0.366 nan 8.240 nan 0.000 0.543 667 D N -0.707 119.615 120.400 -0.130 0.000 2.395 667 D HA 0.118 4.757 4.640 -0.001 0.000 0.226 667 D C -0.108 176.111 176.300 -0.136 0.000 1.146 667 D CA -0.312 53.612 54.000 -0.127 0.000 0.830 667 D CB -0.159 40.623 40.800 -0.030 0.000 0.958 667 D HN 0.710 nan 8.370 nan 0.000 0.501 668 E N 0.068 120.118 120.200 -0.250 0.000 2.183 668 E HA 0.327 4.676 4.350 -0.001 0.000 0.271 668 E C -1.082 175.278 176.600 -0.400 0.000 0.919 668 E CA -0.868 55.435 56.400 -0.163 0.000 0.781 668 E CB 1.493 31.129 29.700 -0.107 0.000 1.140 668 E HN 0.138 nan 8.360 nan 0.000 0.402 669 Y N 0.695 121.040 120.300 0.074 0.000 2.334 669 Y HA 0.244 4.794 4.550 -0.001 0.000 0.336 669 Y C 0.108 176.100 175.900 0.153 0.000 0.960 669 Y CA -0.948 57.183 58.100 0.053 0.000 1.164 669 Y CB 1.097 39.581 38.460 0.039 0.000 1.155 669 Y HN 0.217 nan 8.280 nan 0.000 0.478 670 V N 4.621 124.679 119.914 0.241 0.000 2.775 670 V HA 0.073 4.192 4.120 -0.001 0.000 0.299 670 V C 0.307 176.637 176.094 0.395 0.000 1.062 670 V CA -0.573 61.911 62.300 0.306 0.000 1.063 670 V CB 0.987 33.002 31.823 0.322 0.000 0.994 670 V HN 0.732 nan 8.190 nan 0.000 0.483 671 M N 3.937 123.792 119.600 0.425 0.000 2.185 671 M HA 0.547 5.027 4.480 -0.001 0.000 0.357 671 M C 0.511 177.111 176.300 0.501 0.000 1.260 671 M CA 0.583 56.142 55.300 0.433 0.000 1.124 671 M CB 0.844 33.633 32.600 0.315 0.000 1.600 671 M HN 0.783 nan 8.290 nan 0.000 0.467 672 G N 1.433 110.529 108.800 0.492 0.000 3.434 672 G HA2 0.496 4.455 3.960 -0.001 0.000 0.197 672 G HA3 0.496 4.455 3.960 -0.001 0.000 0.197 672 G C -0.967 174.033 174.900 0.166 0.000 1.559 672 G CA -0.138 45.146 45.100 0.306 0.000 0.852 672 G HN 0.623 nan 8.290 nan 0.000 0.682 673 T N 1.762 116.363 114.554 0.079 0.000 2.971 673 T HA 0.601 4.950 4.350 -0.001 0.000 0.304 673 T C -3.029 171.662 174.700 -0.014 0.000 1.038 673 T CA -1.160 60.969 62.100 0.048 0.000 1.007 673 T CB 2.131 71.018 68.868 0.031 0.000 1.055 673 T HN 0.223 nan 8.240 nan 0.000 0.451 674 P HA 0.242 nan 4.420 nan 0.000 0.275 674 P C 0.466 177.695 177.300 -0.118 0.000 1.227 674 P CA -0.549 62.523 63.100 -0.047 0.000 0.781 674 P CB 1.162 32.865 31.700 0.005 0.000 0.906 675 L N 2.432 123.519 121.223 -0.227 0.000 2.307 675 L HA 0.270 4.610 4.340 -0.001 0.000 0.211 675 L C 0.310 176.845 176.870 -0.558 0.000 1.099 675 L CA 1.174 55.745 54.840 -0.447 0.000 0.816 675 L CB -0.385 41.257 42.059 -0.694 0.000 0.952 675 L HN 0.166 nan 8.230 nan 0.000 0.455 676 F N -0.978 118.895 119.950 -0.128 0.000 2.497 676 F HA 0.364 4.891 4.527 -0.001 0.000 0.331 676 F C 1.540 177.301 175.800 -0.065 0.000 1.060 676 F CA -0.698 57.240 58.000 -0.103 0.000 0.989 676 F CB 0.902 39.818 39.000 -0.140 0.000 1.245 676 F HN -0.366 nan 8.300 nan 0.000 0.486 677 K N 0.179 120.685 120.400 0.177 0.000 2.217 677 K HA -0.019 4.301 4.320 -0.001 0.000 0.202 677 K C 0.167 176.811 176.600 0.075 0.000 1.051 677 K CA 1.040 57.382 56.287 0.092 0.000 0.952 677 K CB 0.261 32.810 32.500 0.081 0.000 0.736 677 K HN 0.394 nan 8.250 nan 0.000 0.453 678 K N -0.111 120.340 120.400 0.085 0.000 2.550 678 K HA 0.400 4.720 4.320 -0.001 0.000 0.252 678 K C -2.108 174.469 176.600 -0.040 0.000 0.943 678 K CA -0.433 55.867 56.287 0.022 0.000 0.806 678 K CB 2.057 34.565 32.500 0.014 0.000 1.289 678 K HN -0.032 nan 8.250 nan 0.000 0.435 679 A N 2.241 125.021 122.820 -0.067 0.000 2.386 679 A HA 0.727 5.047 4.320 -0.001 0.000 0.311 679 A C -1.127 176.371 177.584 -0.144 0.000 1.068 679 A CA -0.588 51.360 52.037 -0.149 0.000 0.743 679 A CB 1.915 20.824 19.000 -0.151 0.000 1.258 679 A HN 0.549 nan 8.150 nan 0.000 0.429 680 T N 2.828 117.259 114.554 -0.205 0.000 2.841 680 T HA 0.559 4.909 4.350 -0.001 0.000 0.285 680 T C -0.601 173.813 174.700 -0.477 0.000 0.991 680 T CA -0.263 61.659 62.100 -0.297 0.000 0.966 680 T CB 0.700 69.404 68.868 -0.274 0.000 0.962 680 T HN 0.479 nan 8.240 nan 0.000 0.438 681 L N 3.827 124.711 121.223 -0.566 0.000 2.317 681 L HA 0.527 4.867 4.340 -0.001 0.000 0.281 681 L C -0.148 176.088 176.870 -1.056 0.000 1.024 681 L CA -1.028 53.361 54.840 -0.751 0.000 0.810 681 L CB 0.999 42.617 42.059 -0.735 0.000 1.240 681 L HN 0.584 nan 8.230 nan 0.000 0.427 682 H N 3.671 122.385 119.070 -0.593 0.000 2.638 682 H HA 0.356 4.911 4.556 -0.001 0.000 0.303 682 H C -0.595 174.435 175.328 -0.497 0.000 1.034 682 H CA -0.500 55.267 56.048 -0.467 0.000 1.225 682 H CB 0.863 30.481 29.762 -0.241 0.000 1.394 682 H HN 0.296 nan 8.280 nan 0.000 0.477 683 F N 0.722 120.627 119.950 -0.075 0.000 2.380 683 F HA 0.105 4.632 4.527 -0.001 0.000 0.325 683 F C 1.975 177.654 175.800 -0.201 0.000 1.136 683 F CA -0.550 57.324 58.000 -0.212 0.000 1.171 683 F CB 0.882 39.629 39.000 -0.423 0.000 1.230 683 F HN 0.453 nan 8.300 nan 0.000 0.554 684 E N 0.489 120.667 120.200 -0.036 0.000 2.265 684 E HA -0.228 4.122 4.350 -0.001 0.000 0.196 684 E C 1.397 177.954 176.600 -0.072 0.000 0.996 684 E CA 1.278 57.650 56.400 -0.047 0.000 0.832 684 E CB -0.393 29.289 29.700 -0.031 0.000 0.756 684 E HN 0.705 nan 8.360 nan 0.000 0.491 685 N N -0.431 118.176 118.700 -0.154 0.000 2.571 685 N HA -0.058 4.682 4.740 -0.001 0.000 0.189 685 N C 1.282 176.761 175.510 -0.052 0.000 1.154 685 N CA 0.510 53.477 53.050 -0.137 0.000 0.907 685 N CB 0.374 38.703 38.487 -0.262 0.000 0.977 685 N HN 0.147 nan 8.380 nan 0.000 0.449 686 G N 0.051 108.845 108.800 -0.010 0.000 2.213 686 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.236 686 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.236 686 G C -0.234 174.700 174.900 0.057 0.000 0.991 686 G CA -0.157 44.954 45.100 0.018 0.000 0.629 686 G HN 0.421 nan 8.290 nan 0.000 0.517 687 N N 0.657 119.413 118.700 0.094 0.000 2.463 687 N HA 0.685 5.425 4.740 -0.001 0.000 0.270 687 N C -0.162 175.464 175.510 0.193 0.000 1.205 687 N CA 0.311 53.452 53.050 0.152 0.000 0.974 687 N CB 1.353 39.941 38.487 0.170 0.000 1.197 687 N HN 0.261 nan 8.380 nan 0.000 0.504 688 S N 0.236 116.022 115.700 0.144 0.000 2.542 688 S HA 0.510 4.980 4.470 -0.001 0.000 0.293 688 S C -1.005 173.626 174.600 0.052 0.000 1.089 688 S CA -0.780 57.416 58.200 -0.008 0.000 0.961 688 S CB 1.718 64.917 63.200 -0.002 0.000 1.062 688 S HN 0.351 nan 8.310 nan 0.000 0.483 689 L N 3.101 124.284 121.223 -0.067 0.000 2.376 689 L HA 0.639 4.979 4.340 -0.001 0.000 0.275 689 L C -1.487 175.336 176.870 -0.079 0.000 0.987 689 L CA -0.601 54.266 54.840 0.045 0.000 0.828 689 L CB 1.509 43.704 42.059 0.227 0.000 1.249 689 L HN 0.485 nan 8.230 nan 0.000 0.409 690 V N 6.391 126.281 119.914 -0.039 0.000 2.394 690 V HA 0.413 4.532 4.120 -0.001 0.000 0.282 690 V C 0.310 176.376 176.094 -0.047 0.000 1.031 690 V CA -0.393 61.873 62.300 -0.057 0.000 0.881 690 V CB 1.920 33.726 31.823 -0.029 0.000 0.982 690 V HN 0.544 nan 8.190 nan 0.000 0.451 691 I N 4.380 124.921 120.570 -0.048 0.000 2.337 691 I HA 0.318 4.488 4.170 -0.001 0.000 0.285 691 I C -0.219 175.888 176.117 -0.017 0.000 1.041 691 I CA -0.227 61.052 61.300 -0.035 0.000 1.199 691 I CB 0.869 38.868 38.000 -0.002 0.000 1.370 691 I HN 0.481 nan 8.210 nan 0.000 0.470 692 D N 6.554 126.946 120.400 -0.014 0.000 2.347 692 D HA 0.395 5.035 4.640 -0.001 0.000 0.235 692 D C -0.087 176.218 176.300 0.008 0.000 1.149 692 D CA 0.047 54.048 54.000 0.002 0.000 0.850 692 D CB 1.979 42.782 40.800 0.005 0.000 1.061 692 D HN 0.595 nan 8.370 nan 0.000 0.487 693 A N 5.105 127.936 122.820 0.018 0.000 3.248 693 A HA 0.316 4.635 4.320 -0.001 0.000 0.315 693 A C -1.565 176.031 177.584 0.020 0.000 0.974 693 A CA -0.897 51.151 52.037 0.019 0.000 0.939 693 A CB 0.714 19.726 19.000 0.020 0.000 1.061 693 A HN 0.280 nan 8.150 nan 0.000 0.481 694 P HA -0.202 nan 4.420 nan 0.000 0.218 694 P C 0.696 178.004 177.300 0.014 0.000 1.146 694 P CA 1.155 64.267 63.100 0.020 0.000 0.813 694 P CB 0.112 31.822 31.700 0.017 0.000 0.778 695 N N -0.890 117.814 118.700 0.008 0.000 2.268 695 N HA -0.007 4.733 4.740 -0.001 0.000 0.204 695 N C 0.360 175.866 175.510 -0.007 0.000 1.124 695 N CA -0.343 52.707 53.050 -0.001 0.000 0.838 695 N CB -0.126 38.359 38.487 -0.004 0.000 0.994 695 N HN -0.048 nan 8.380 nan 0.000 0.489 696 N N 1.036 119.734 118.700 -0.003 0.000 2.441 696 N HA -0.020 4.719 4.740 -0.001 0.000 0.251 696 N C -0.547 174.951 175.510 -0.021 0.000 1.242 696 N CA 0.577 53.619 53.050 -0.014 0.000 0.898 696 N CB 0.963 39.442 38.487 -0.013 0.000 1.100 696 N HN 0.299 nan 8.380 nan 0.000 0.443 697 S N -0.080 115.604 115.700 -0.028 0.000 2.661 697 S HA 0.290 4.760 4.470 -0.001 0.000 0.268 697 S C 0.721 175.310 174.600 -0.018 0.000 1.162 697 S CA -0.472 57.712 58.200 -0.027 0.000 0.817 697 S CB 0.444 63.630 63.200 -0.022 0.000 1.141 697 S HN 0.372 nan 8.310 nan 0.000 0.477 698 T N 1.203 115.747 114.554 -0.016 0.000 2.867 698 T HA 0.022 4.371 4.350 -0.001 0.000 0.268 698 T C 1.187 175.938 174.700 0.084 0.000 1.057 698 T CA 2.019 64.121 62.100 0.002 0.000 1.136 698 T CB -0.421 68.437 68.868 -0.016 0.000 0.874 698 T HN 0.631 nan 8.240 nan 0.000 0.466 699 E N 1.347 121.574 120.200 0.044 0.000 2.140 699 E HA 0.115 4.465 4.350 -0.001 0.000 0.191 699 E C 0.656 177.176 176.600 -0.133 0.000 0.973 699 E CA 0.453 56.866 56.400 0.023 0.000 0.829 699 E CB -0.061 29.626 29.700 -0.021 0.000 0.781 699 E HN 0.508 nan 8.360 nan 0.000 0.466 700 N N 0.930 119.566 118.700 -0.106 0.000 3.188 700 N HA 0.100 4.840 4.740 -0.001 0.000 0.279 700 N C -0.550 174.861 175.510 -0.165 0.000 1.213 700 N CA -0.225 52.716 53.050 -0.182 0.000 1.138 700 N CB 0.123 38.559 38.487 -0.085 0.000 1.417 700 N HN 0.141 nan 8.380 nan 0.000 0.526 701 F N -1.785 118.057 119.950 -0.181 0.000 2.678 701 F HA 0.410 4.937 4.527 -0.001 0.000 0.305 701 F C -0.379 175.259 175.800 -0.271 0.000 1.090 701 F CA -0.937 56.908 58.000 -0.259 0.000 1.272 701 F CB -0.360 38.420 39.000 -0.368 0.000 1.060 701 F HN -0.000 nan 8.300 nan 0.000 0.576 702 Y N 1.884 122.044 120.300 -0.232 0.000 2.320 702 Y HA 0.506 5.056 4.550 -0.001 0.000 0.324 702 Y C 0.414 176.304 175.900 -0.017 0.000 1.190 702 Y CA -1.695 56.364 58.100 -0.069 0.000 1.215 702 Y CB 0.960 39.322 38.460 -0.163 0.000 1.221 702 Y HN -0.104 nan 8.280 nan 0.000 0.486 703 I N 3.103 123.811 120.570 0.231 0.000 2.304 703 I HA 0.044 4.214 4.170 -0.001 0.000 0.291 703 I C 0.856 177.045 176.117 0.120 0.000 1.018 703 I CA 0.047 61.435 61.300 0.147 0.000 1.260 703 I CB 1.022 39.114 38.000 0.153 0.000 1.390 703 I HN 0.793 nan 8.210 nan 0.000 0.475 704 D N 4.012 124.452 120.400 0.068 0.000 2.201 704 D HA -0.022 4.617 4.640 -0.001 0.000 0.209 704 D C 0.359 176.682 176.300 0.038 0.000 0.961 704 D CA 0.835 54.853 54.000 0.030 0.000 0.861 704 D CB 0.736 41.535 40.800 -0.001 0.000 0.997 704 D HN 0.591 nan 8.370 nan 0.000 0.486 705 S N -0.898 114.831 115.700 0.048 0.000 2.596 705 S HA 0.627 5.096 4.470 -0.001 0.000 0.270 705 S C -0.846 173.793 174.600 0.066 0.000 1.155 705 S CA -0.957 57.276 58.200 0.055 0.000 0.827 705 S CB 2.653 65.876 63.200 0.039 0.000 1.130 705 S HN 0.111 nan 8.310 nan 0.000 0.467 706 M N 2.299 121.950 119.600 0.085 0.000 2.371 706 M HA 0.536 5.016 4.480 -0.001 0.000 0.287 706 M C -1.536 174.833 176.300 0.115 0.000 1.149 706 M CA -0.176 55.177 55.300 0.087 0.000 0.929 706 M CB 2.270 34.940 32.600 0.117 0.000 1.683 706 M HN 1.124 nan 8.290 nan 0.000 0.470 707 S N 2.999 118.749 115.700 0.082 0.000 2.548 707 S HA 0.747 5.216 4.470 -0.001 0.000 0.286 707 S C -1.504 173.174 174.600 0.130 0.000 1.098 707 S CA -0.647 57.630 58.200 0.128 0.000 0.930 707 S CB 2.071 65.331 63.200 0.099 0.000 1.070 707 S HN 0.562 nan 8.310 nan 0.000 0.480 708 F N 2.656 122.610 119.950 0.007 0.000 2.382 708 F HA 0.472 4.999 4.527 -0.001 0.000 0.361 708 F C 0.226 176.023 175.800 -0.005 0.000 1.109 708 F CA -1.383 56.590 58.000 -0.044 0.000 1.031 708 F CB -0.375 38.565 39.000 -0.101 0.000 1.234 708 F HN 0.973 nan 8.300 nan 0.000 0.445 709 N N 3.676 122.606 118.700 0.384 0.000 2.727 709 N HA -0.198 4.542 4.740 -0.001 0.000 0.249 709 N C 1.032 176.603 175.510 0.101 0.000 1.048 709 N CA 0.916 54.072 53.050 0.176 0.000 0.714 709 N CB -1.017 37.518 38.487 0.080 0.000 0.959 709 N HN 1.138 nan 8.380 nan 0.000 0.544 710 G N -1.830 107.034 108.800 0.106 0.000 2.299 710 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.237 710 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.237 710 G C 0.342 175.286 174.900 0.074 0.000 1.027 710 G CA 0.357 45.501 45.100 0.073 0.000 0.619 710 G HN 1.081 nan 8.290 nan 0.000 0.513 711 A N 0.458 123.329 122.820 0.086 0.000 2.425 711 A HA 0.532 4.851 4.320 -0.001 0.000 0.249 711 A C 0.251 177.910 177.584 0.125 0.000 1.084 711 A CA 0.746 52.834 52.037 0.084 0.000 0.781 711 A CB 0.353 19.392 19.000 0.065 0.000 1.019 711 A HN 0.572 nan 8.150 nan 0.000 0.490 712 D N 0.426 120.883 120.400 0.096 0.000 2.389 712 D HA 0.120 4.759 4.640 -0.001 0.000 0.247 712 D C -0.273 176.114 176.300 0.145 0.000 1.128 712 D CA 0.756 54.819 54.000 0.105 0.000 0.884 712 D CB 0.234 41.070 40.800 0.060 0.000 1.194 712 D HN 0.502 nan 8.370 nan 0.000 0.441 713 H N 2.723 121.825 119.070 0.053 0.000 2.866 713 H HA 0.179 4.735 4.556 -0.001 0.000 0.287 713 H C 0.275 175.616 175.328 0.023 0.000 1.106 713 H CA -0.118 55.957 56.048 0.046 0.000 1.396 713 H CB 0.851 30.663 29.762 0.082 0.000 1.469 713 H HN 0.495 nan 8.280 nan 0.000 0.500 714 T N 1.334 115.785 114.554 -0.171 0.000 3.060 714 T HA 0.159 4.508 4.350 -0.001 0.000 0.249 714 T C 0.588 175.204 174.700 -0.141 0.000 1.079 714 T CA -0.262 61.791 62.100 -0.079 0.000 1.013 714 T CB 0.242 69.086 68.868 -0.040 0.000 0.975 714 T HN 0.312 nan 8.240 nan 0.000 0.518 715 K N 1.749 121.890 120.400 -0.433 0.000 2.380 715 K HA 0.206 4.525 4.320 -0.001 0.000 0.267 715 K C 0.399 176.937 176.600 -0.104 0.000 0.990 715 K CA 0.135 56.192 56.287 -0.384 0.000 0.946 715 K CB 0.237 32.242 32.500 -0.824 0.000 0.937 715 K HN 0.242 nan 8.250 nan 0.000 0.491 716 N N 0.916 119.640 118.700 0.040 0.000 2.322 716 N HA 0.067 4.807 4.740 -0.001 0.000 0.216 716 N C -1.372 174.318 175.510 0.299 0.000 1.144 716 N CA -0.226 52.932 53.050 0.180 0.000 0.830 716 N CB 0.093 38.681 38.487 0.168 0.000 1.034 716 N HN 0.425 nan 8.380 nan 0.000 0.484 717 Y N -2.299 118.107 120.300 0.177 0.000 2.638 717 Y HA 0.565 5.115 4.550 -0.001 0.000 0.335 717 Y C -1.735 174.307 175.900 0.236 0.000 1.155 717 Y CA -1.479 56.728 58.100 0.177 0.000 1.046 717 Y CB 0.924 39.447 38.460 0.105 0.000 1.303 717 Y HN -0.323 nan 8.280 nan 0.000 0.460 718 L N 2.441 123.831 121.223 0.279 0.000 2.333 718 L HA 0.706 5.045 4.340 -0.001 0.000 0.269 718 L C -0.446 176.633 176.870 0.350 0.000 1.010 718 L CA -1.162 53.778 54.840 0.167 0.000 0.818 718 L CB 2.281 44.246 42.059 -0.157 0.000 1.306 718 L HN 0.686 nan 8.230 nan 0.000 0.430 719 R N -0.491 120.188 120.500 0.297 0.000 2.393 719 R HA 0.218 4.558 4.340 -0.001 0.000 0.310 719 R C 0.563 176.976 176.300 0.189 0.000 0.968 719 R CA -0.604 55.660 56.100 0.273 0.000 0.867 719 R CB 1.609 32.053 30.300 0.240 0.000 1.124 719 R HN 0.520 nan 8.270 nan 0.000 0.450 720 H N 2.652 121.789 119.070 0.111 0.000 2.292 720 H HA -0.299 4.257 4.556 -0.001 0.000 0.292 720 H C 2.123 177.272 175.328 -0.297 0.000 1.100 720 H CA 3.126 59.132 56.048 -0.070 0.000 1.238 720 H CB 0.416 30.096 29.762 -0.137 0.000 1.355 720 H HN 0.844 nan 8.280 nan 0.000 0.484 721 E N 0.691 120.866 120.200 -0.041 0.000 2.118 721 E HA -0.219 4.130 4.350 -0.001 0.000 0.195 721 E C 2.017 178.588 176.600 -0.050 0.000 0.992 721 E CA 1.596 57.971 56.400 -0.042 0.000 0.804 721 E CB -0.609 29.107 29.700 0.026 0.000 0.741 721 E HN 0.691 nan 8.360 nan 0.000 0.458 722 D N 0.090 120.478 120.400 -0.020 0.000 2.097 722 D HA -0.037 4.603 4.640 -0.001 0.000 0.197 722 D C 2.202 178.546 176.300 0.074 0.000 0.984 722 D CA 0.947 54.943 54.000 -0.007 0.000 0.826 722 D CB -0.219 40.606 40.800 0.042 0.000 0.973 722 D HN 0.427 nan 8.370 nan 0.000 0.460 723 L N 0.027 121.262 121.223 0.021 0.000 2.012 723 L HA -0.183 4.157 4.340 -0.001 0.000 0.210 723 L C 2.468 179.254 176.870 -0.140 0.000 1.073 723 L CA 0.841 55.669 54.840 -0.021 0.000 0.748 723 L CB -0.441 41.469 42.059 -0.249 0.000 0.891 723 L HN -0.017 nan 8.230 nan 0.000 0.431 724 F N 0.844 120.431 119.950 -0.604 0.000 2.250 724 F HA -0.193 4.334 4.527 -0.001 0.000 0.301 724 F C 2.408 178.038 175.800 -0.283 0.000 1.077 724 F CA 1.082 58.641 58.000 -0.734 0.000 1.348 724 F CB -0.704 37.967 39.000 -0.548 0.000 1.040 724 F HN 0.061 nan 8.300 nan 0.000 0.509 725 K N -0.192 120.234 120.400 0.043 0.000 2.283 725 K HA 0.130 4.449 4.320 -0.001 0.000 0.202 725 K C 1.311 177.971 176.600 0.100 0.000 1.048 725 K CA 0.580 56.896 56.287 0.049 0.000 0.948 725 K CB -0.460 32.043 32.500 0.005 0.000 0.742 725 K HN 0.363 nan 8.250 nan 0.000 0.458 726 G N 0.020 108.928 108.800 0.180 0.000 2.693 726 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.226 726 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.226 726 G C 0.266 175.293 174.900 0.212 0.000 1.354 726 G CA -0.349 44.900 45.100 0.247 0.000 0.873 726 G HN 0.664 nan 8.290 nan 0.000 0.562 727 G N -2.994 105.907 108.800 0.170 0.000 2.443 727 G HA2 0.465 4.424 3.960 -0.001 0.000 0.209 727 G HA3 0.465 4.424 3.960 -0.001 0.000 0.209 727 G C -0.137 174.844 174.900 0.136 0.000 1.176 727 G CA 0.590 45.780 45.100 0.149 0.000 1.074 727 G HN 2.232 nan 8.290 nan 0.000 0.577 728 T N 0.562 115.206 114.554 0.150 0.000 2.861 728 T HA 0.668 5.018 4.350 -0.001 0.000 0.287 728 T C -0.193 174.542 174.700 0.059 0.000 1.003 728 T CA -0.244 61.905 62.100 0.081 0.000 0.977 728 T CB 1.458 70.363 68.868 0.061 0.000 0.996 728 T HN 0.604 nan 8.240 nan 0.000 0.448 729 I N 2.756 123.274 120.570 -0.087 0.000 2.378 729 I HA 0.421 4.591 4.170 -0.001 0.000 0.291 729 I C 0.080 176.143 176.117 -0.091 0.000 0.992 729 I CA -0.778 60.400 61.300 -0.204 0.000 1.154 729 I CB 1.705 39.438 38.000 -0.444 0.000 1.315 729 I HN 0.273 nan 8.210 nan 0.000 0.448 730 K N 5.115 125.487 120.400 -0.046 0.000 2.185 730 K HA 0.655 4.974 4.320 -0.001 0.000 0.269 730 K C -1.281 175.314 176.600 -0.008 0.000 0.987 730 K CA -0.566 55.714 56.287 -0.011 0.000 0.865 730 K CB 2.003 34.512 32.500 0.016 0.000 1.090 730 K HN 0.298 nan 8.250 nan 0.000 0.450 731 V N 2.975 122.891 119.914 0.003 0.000 2.409 731 V HA 0.091 4.211 4.120 -0.001 0.000 0.290 731 V C -0.820 175.287 176.094 0.023 0.000 1.017 731 V CA -0.979 61.332 62.300 0.018 0.000 0.841 731 V CB 1.433 33.270 31.823 0.022 0.000 1.003 731 V HN 0.706 nan 8.190 nan 0.000 0.426 732 D N 5.842 126.258 120.400 0.027 0.000 2.365 732 D HA 0.330 4.970 4.640 -0.001 0.000 0.237 732 D C 0.084 176.397 176.300 0.022 0.000 1.190 732 D CA -0.285 53.726 54.000 0.020 0.000 0.867 732 D CB 0.676 41.486 40.800 0.016 0.000 1.050 732 D HN 0.222 nan 8.370 nan 0.000 0.491 733 M N 1.891 121.499 119.600 0.012 0.000 2.255 733 M HA 0.287 4.767 4.480 -0.001 0.000 0.336 733 M C 0.410 176.702 176.300 -0.013 0.000 1.135 733 M CA -0.355 54.949 55.300 0.005 0.000 1.145 733 M CB 0.844 33.439 32.600 -0.007 0.000 1.473 733 M HN 0.343 nan 8.290 nan 0.000 0.462 734 S N 0.806 116.493 115.700 -0.021 0.000 2.607 734 S HA 0.515 4.984 4.470 -0.001 0.000 0.273 734 S C 0.177 174.724 174.600 -0.087 0.000 1.148 734 S CA -0.679 57.495 58.200 -0.043 0.000 0.833 734 S CB 1.147 64.327 63.200 -0.034 0.000 1.130 734 S HN 0.750 nan 8.310 nan 0.000 0.470 735 N N 1.084 119.723 118.700 -0.101 0.000 2.280 735 N HA 0.130 4.870 4.740 -0.001 0.000 0.192 735 N C -0.054 175.433 175.510 -0.040 0.000 1.109 735 N CA -0.205 52.751 53.050 -0.156 0.000 0.855 735 N CB -0.321 38.090 38.487 -0.127 0.000 0.974 735 N HN 0.629 nan 8.380 nan 0.000 0.482 736 R N -0.484 119.969 120.500 -0.078 0.000 2.670 736 R HA 0.673 5.013 4.340 -0.001 0.000 0.289 736 R C -3.035 172.898 176.300 -0.612 0.000 0.965 736 R CA -1.788 54.144 56.100 -0.279 0.000 0.899 736 R CB 1.006 31.173 30.300 -0.222 0.000 1.173 736 R HN -0.139 nan 8.270 nan 0.000 0.456 737 P HA 0.051 nan 4.420 nan 0.000 0.275 737 P C -1.046 175.862 177.300 -0.653 0.000 1.228 737 P CA -0.351 62.013 63.100 -1.228 0.000 0.786 737 P CB 0.685 31.619 31.700 -1.277 0.000 0.927 738 N N 2.786 121.230 118.700 -0.426 0.000 2.485 738 N HA 0.082 4.821 4.740 -0.001 0.000 0.243 738 N C 0.493 175.743 175.510 -0.432 0.000 0.987 738 N CA -0.348 52.509 53.050 -0.322 0.000 0.940 738 N CB -0.072 38.337 38.487 -0.129 0.000 1.122 738 N HN 0.060 nan 8.380 nan 0.000 0.509 739 L N 2.899 123.749 121.223 -0.621 0.000 2.622 739 L HA 0.124 4.464 4.340 -0.001 0.000 0.233 739 L C 1.327 178.004 176.870 -0.321 0.000 1.156 739 L CA 0.682 55.007 54.840 -0.860 0.000 0.866 739 L CB -0.656 40.983 42.059 -0.700 0.000 0.980 739 L HN 0.586 nan 8.230 nan 0.000 0.448 740 N N -1.070 117.543 118.700 -0.145 0.000 2.273 740 N HA 0.051 4.791 4.740 -0.001 0.000 0.192 740 N C 0.806 176.350 175.510 0.058 0.000 1.132 740 N CA -0.034 53.006 53.050 -0.017 0.000 0.887 740 N CB 0.835 39.299 38.487 -0.040 0.000 1.048 740 N HN 0.232 nan 8.380 nan 0.000 0.490 741 R N 0.698 121.243 120.500 0.074 0.000 2.340 741 R HA 0.289 4.629 4.340 -0.001 0.000 0.300 741 R C 0.579 176.984 176.300 0.174 0.000 1.069 741 R CA 0.760 56.924 56.100 0.106 0.000 0.984 741 R CB 0.248 30.606 30.300 0.098 0.000 1.003 741 R HN 0.214 nan 8.270 nan 0.000 0.459 742 G N 2.673 111.549 108.800 0.127 0.000 2.160 742 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.244 742 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.244 742 G C 0.520 175.506 174.900 0.143 0.000 1.022 742 G CA 0.717 45.893 45.100 0.127 0.000 0.741 742 G HN 0.761 nan 8.290 nan 0.000 0.508 743 T N -2.946 111.695 114.554 0.146 0.000 3.015 743 T HA 0.362 4.711 4.350 -0.001 0.000 0.250 743 T C 1.130 175.886 174.700 0.094 0.000 1.057 743 T CA 0.656 62.843 62.100 0.146 0.000 1.066 743 T CB 0.609 69.590 68.868 0.189 0.000 0.959 743 T HN 0.451 nan 8.240 nan 0.000 0.488 744 K N 1.827 122.271 120.400 0.073 0.000 2.380 744 K HA 0.092 4.411 4.320 -0.001 0.000 0.267 744 K C 1.430 178.058 176.600 0.047 0.000 0.990 744 K CA -0.190 56.127 56.287 0.051 0.000 0.946 744 K CB 0.567 33.089 32.500 0.037 0.000 0.937 744 K HN 0.025 nan 8.250 nan 0.000 0.491 745 E N 2.693 122.916 120.200 0.039 0.000 2.150 745 E HA -0.210 4.139 4.350 -0.001 0.000 0.193 745 E C 1.147 177.771 176.600 0.040 0.000 0.985 745 E CA 1.378 57.798 56.400 0.033 0.000 0.814 745 E CB 0.240 29.955 29.700 0.024 0.000 0.752 745 E HN 0.699 nan 8.360 nan 0.000 0.466 746 E N 0.194 120.419 120.200 0.043 0.000 2.482 746 E HA -0.132 4.218 4.350 -0.001 0.000 0.196 746 E C 0.443 177.097 176.600 0.090 0.000 1.047 746 E CA 0.621 57.057 56.400 0.061 0.000 0.869 746 E CB -0.054 29.673 29.700 0.044 0.000 0.836 746 E HN 0.165 nan 8.360 nan 0.000 0.520 747 D N 0.620 121.061 120.400 0.068 0.000 2.347 747 D HA 0.027 4.667 4.640 -0.001 0.000 0.213 747 D C 0.622 177.016 176.300 0.157 0.000 0.985 747 D CA 0.339 54.383 54.000 0.074 0.000 0.879 747 D CB 0.081 40.905 40.800 0.040 0.000 0.919 747 D HN 0.191 nan 8.370 nan 0.000 0.526 748 M N 1.448 121.109 119.600 0.103 0.000 2.243 748 M HA 0.249 4.728 4.480 -0.001 0.000 0.341 748 M C -2.123 174.141 176.300 -0.060 0.000 1.130 748 M CA -2.174 53.121 55.300 -0.008 0.000 1.162 748 M CB -0.028 32.543 32.600 -0.048 0.000 1.497 748 M HN -0.261 nan 8.290 nan 0.000 0.456 749 P HA 0.129 nan 4.420 nan 0.000 0.277 749 P C -0.876 176.262 177.300 -0.270 0.000 1.271 749 P CA -0.498 62.288 63.100 -0.523 0.000 0.795 749 P CB 0.248 31.574 31.700 -0.625 0.000 1.101 750 Y N 0.550 120.696 120.300 -0.256 0.000 2.717 750 Y HA 0.139 4.689 4.550 -0.001 0.000 0.330 750 Y C -0.396 175.578 175.900 0.122 0.000 1.217 750 Y CA 1.174 59.255 58.100 -0.031 0.000 1.506 750 Y CB 0.026 38.499 38.460 0.022 0.000 1.268 750 Y HN 0.191 nan 8.280 nan 0.000 0.561 751 S N 7.402 122.804 115.700 -0.497 0.000 2.538 751 S HA 0.177 4.647 4.470 -0.001 0.000 0.288 751 S C 0.054 174.294 174.600 -0.602 0.000 1.108 751 S CA -0.828 57.157 58.200 -0.357 0.000 0.971 751 S CB 1.201 64.330 63.200 -0.118 0.000 1.041 751 S HN 0.768 nan 8.310 nan 0.000 0.483 752 F N 3.467 123.195 119.950 -0.371 0.000 2.134 752 F HA -0.134 4.392 4.527 -0.001 0.000 0.299 752 F C 2.224 178.003 175.800 -0.035 0.000 1.097 752 F CA 1.993 59.990 58.000 -0.005 0.000 1.264 752 F CB -0.954 38.229 39.000 0.304 0.000 1.001 752 F HN 0.602 nan 8.300 nan 0.000 0.479 753 S N 0.100 115.689 115.700 -0.185 0.000 2.400 753 S HA -0.240 4.230 4.470 -0.001 0.000 0.232 753 S C 1.747 176.216 174.600 -0.219 0.000 1.025 753 S CA 1.591 59.634 58.200 -0.261 0.000 0.993 753 S CB -0.521 62.597 63.200 -0.137 0.000 0.808 753 S HN 0.458 nan 8.310 nan 0.000 0.478 754 K N 1.048 121.335 120.400 -0.188 0.000 2.487 754 K HA 0.116 4.436 4.320 -0.001 0.000 0.192 754 K C 1.041 177.575 176.600 -0.110 0.000 1.027 754 K CA 0.165 56.368 56.287 -0.139 0.000 1.054 754 K CB 0.074 32.498 32.500 -0.128 0.000 0.824 754 K HN 0.384 nan 8.250 nan 0.000 0.510 755 E N 2.111 122.242 120.200 -0.116 0.000 2.528 755 E HA 0.019 4.369 4.350 -0.001 0.000 0.237 755 E C -0.534 176.043 176.600 -0.039 0.000 1.408 755 E CA -0.226 56.178 56.400 0.008 0.000 1.571 755 E CB -0.712 29.106 29.700 0.198 0.000 1.395 755 E HN 0.118 nan 8.360 nan 0.000 0.438 756 L N 0.000 121.182 121.223 -0.068 0.000 2.949 756 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 756 L CA 0.000 54.797 54.840 -0.072 0.000 0.813 756 L CB 0.000 42.043 42.059 -0.027 0.000 0.961 756 L HN 0.000 nan 8.230 nan 0.000 0.502