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 1w6j_1_A DATA FIRST_RESID 6 DATA SEQUENCE CLRRRGGPYK TEPATDLGRW RLNCERGRQT WTYLQDERAG REQTGLEAYA DATA SEQUENCE LGLDTKNYFK DLPKAHTAFE GALNGMTFYV GLQAEDGHWT GDYGGPLFLL DATA SEQUENCE PGLLITCHVA RIPLPAGYRE EIVRYLRSVQ LPDGGWGLHI EDKSTVFGTA DATA SEQUENCE LNYVSLRILG VGPDDPDLVR ARNILHKKGG AVAIPSWGKF WLAVLNVYSW DATA SEQUENCE EGLNTLFPEM WLFPDWAPAH PSTLWCHCRQ VYLPMSYCYA VRLSAAEDPL DATA SEQUENCE VQSLRQELYV EDFASIDWLA QRNNVAPDEL YTPHSWLLRV VYALLNLYEH DATA SEQUENCE HHSAHLRQRA VQKLYEHIVA DDRFTKSISI GPISKTINML VRWYVDGPAS DATA SEQUENCE TAFQEHVSRI PDYLWMGLDG MKMQGTNGSQ IWDTAFAIQA LLEAGGHHRP DATA SEQUENCE EFSSCLQKAH EFLRLSQVPD NPPDYQKYYR QMRKGGFSFS TLDCGWIVSD DATA SEQUENCE CTAEALKAVL LLQEKCPHVT EHIPRERLCD AVAVLLNMRN PDGGFATYET DATA SEQUENCE KRGGHLLELL NPSEVFGDIM IDYTYVECTS AVMQALKYFH KRFPEHRAAE DATA SEQUENCE IRETLTQGLE FCRRQQRADG SWEGSWGVCF TYGTWFGLEA FACMGQTYRD DATA SEQUENCE GTACAEVSRA CDFLLSRQMA DGGWGEDFES CEERRYLQSA QSQIHNTCWA DATA SEQUENCE MMGLMAVRHP DIEAQERGVR CLLEKQLPNG DWPQENIAGV FNKSCAISYT DATA SEQUENCE SYRNIFPIWA LGRFSQLYPE RALAGHP 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 6 C HA 0.000 nan 4.460 nan 0.000 0.325 6 C C 0.000 174.966 174.990 -0.040 0.000 1.270 6 C CA 0.000 58.998 59.018 -0.033 0.000 1.963 6 C CB 0.000 27.722 27.740 -0.030 0.000 2.134 7 L N 1.138 122.344 121.223 -0.027 0.000 2.478 7 L HA 0.248 4.588 4.340 -0.000 0.000 0.223 7 L C 1.075 177.926 176.870 -0.032 0.000 1.140 7 L CA 1.035 55.856 54.840 -0.031 0.000 0.842 7 L CB -0.275 41.774 42.059 -0.015 0.000 0.953 7 L HN 0.331 nan 8.230 nan 0.000 0.452 8 R N 0.234 120.723 120.500 -0.019 0.000 2.533 8 R HA 0.309 4.649 4.340 -0.000 0.000 0.288 8 R C -0.817 175.487 176.300 0.006 0.000 1.039 8 R CA -0.612 55.485 56.100 -0.005 0.000 0.909 8 R CB 1.615 31.929 30.300 0.025 0.000 1.195 8 R HN -0.089 nan 8.270 nan 0.000 0.438 9 R N 4.800 125.306 120.500 0.010 0.000 2.247 9 R HA 0.309 4.649 4.340 -0.000 0.000 0.329 9 R C -0.627 175.741 176.300 0.113 0.000 1.014 9 R CA -0.435 55.694 56.100 0.048 0.000 0.907 9 R CB 0.542 30.859 30.300 0.029 0.000 1.146 9 R HN 0.560 nan 8.270 nan 0.000 0.499 10 R N 1.116 121.696 120.500 0.134 0.000 2.528 10 R HA 0.315 4.655 4.340 -0.000 0.000 0.271 10 R C 0.706 177.147 176.300 0.236 0.000 1.056 10 R CA 0.393 56.587 56.100 0.156 0.000 1.117 10 R CB 1.134 31.517 30.300 0.137 0.000 1.085 10 R HN 0.878 nan 8.270 nan 0.000 0.530 11 G N 0.384 109.269 108.800 0.142 0.000 2.176 11 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.232 11 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.232 11 G C 0.470 175.137 174.900 -0.389 0.000 0.986 11 G CA -0.240 44.883 45.100 0.037 0.000 0.643 11 G HN 0.894 nan 8.290 nan 0.000 0.522 12 G N 0.189 108.811 108.800 -0.297 0.000 2.611 12 G HA2 0.569 4.528 3.960 -0.000 0.000 0.273 12 G HA3 0.569 4.528 3.960 -0.000 0.000 0.273 12 G C -1.886 172.862 174.900 -0.254 0.000 1.305 12 G CA -0.559 44.257 45.100 -0.473 0.000 1.010 12 G HN 0.230 nan 8.290 nan 0.000 0.509 13 P HA 0.141 nan 4.420 nan 0.000 0.266 13 P C -1.103 176.028 177.300 -0.282 0.000 1.195 13 P CA 0.311 63.347 63.100 -0.107 0.000 0.768 13 P CB 0.270 31.978 31.700 0.012 0.000 0.838 14 Y N 0.650 120.973 120.300 0.039 0.000 2.420 14 Y HA 0.314 4.863 4.550 -0.000 0.000 0.334 14 Y C 1.162 177.070 175.900 0.014 0.000 1.094 14 Y CA -0.652 57.461 58.100 0.022 0.000 1.126 14 Y CB 1.229 39.695 38.460 0.011 0.000 1.217 14 Y HN 0.133 nan 8.280 nan 0.000 0.462 15 K N 2.163 122.662 120.400 0.166 0.000 2.447 15 K HA 0.184 4.503 4.320 -0.000 0.000 0.281 15 K C -0.034 176.617 176.600 0.085 0.000 1.031 15 K CA 0.122 56.463 56.287 0.090 0.000 1.019 15 K CB 0.170 32.712 32.500 0.070 0.000 0.918 15 K HN 0.792 nan 8.250 nan 0.000 0.476 16 T N -1.042 113.543 114.554 0.051 0.000 2.907 16 T HA 0.220 4.569 4.350 -0.000 0.000 0.290 16 T C -0.336 174.374 174.700 0.017 0.000 1.066 16 T CA -1.103 61.016 62.100 0.031 0.000 1.012 16 T CB 1.416 70.299 68.868 0.026 0.000 1.184 16 T HN 0.499 nan 8.240 nan 0.000 0.522 17 E N 2.418 122.624 120.200 0.011 0.000 2.366 17 E HA 0.207 4.557 4.350 -0.000 0.000 0.266 17 E C -1.994 174.610 176.600 0.008 0.000 1.015 17 E CA -1.613 54.794 56.400 0.011 0.000 0.906 17 E CB 0.450 30.155 29.700 0.009 0.000 0.979 17 E HN 0.380 nan 8.360 nan 0.000 0.443 18 P HA 0.091 nan 4.420 nan 0.000 0.276 18 P C -0.754 176.557 177.300 0.019 0.000 1.252 18 P CA -0.136 62.969 63.100 0.008 0.000 0.802 18 P CB 1.247 32.963 31.700 0.026 0.000 1.035 19 A N 0.027 122.855 122.820 0.014 0.000 2.390 19 A HA 0.340 4.660 4.320 -0.000 0.000 0.232 19 A C 0.720 178.319 177.584 0.026 0.000 1.233 19 A CA 0.602 52.649 52.037 0.016 0.000 0.907 19 A CB -0.493 18.507 19.000 0.001 0.000 0.967 19 A HN 0.681 nan 8.150 nan 0.000 0.512 20 T N -3.742 110.850 114.554 0.064 0.000 2.778 20 T HA 0.443 4.793 4.350 -0.000 0.000 0.293 20 T C -1.508 173.320 174.700 0.214 0.000 1.144 20 T CA -0.589 61.568 62.100 0.095 0.000 1.010 20 T CB 1.345 70.181 68.868 -0.054 0.000 1.325 20 T HN -0.098 nan 8.240 nan 0.000 0.515 21 D N 0.791 121.388 120.400 0.328 0.000 2.374 21 D HA 0.220 4.859 4.640 -0.000 0.000 0.240 21 D C 1.249 177.773 176.300 0.374 0.000 1.229 21 D CA -0.535 53.632 54.000 0.277 0.000 0.895 21 D CB 0.031 40.947 40.800 0.193 0.000 1.046 21 D HN 0.540 nan 8.370 nan 0.000 0.498 22 L N 2.947 124.358 121.223 0.314 0.000 2.265 22 L HA -0.054 4.285 4.340 -0.000 0.000 0.215 22 L C 2.363 179.416 176.870 0.305 0.000 1.117 22 L CA 1.022 56.081 54.840 0.363 0.000 0.782 22 L CB -0.183 41.983 42.059 0.177 0.000 0.914 22 L HN 0.473 nan 8.230 nan 0.000 0.441 23 G N -0.160 108.759 108.800 0.199 0.000 2.498 23 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.219 23 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.219 23 G C 1.718 176.677 174.900 0.098 0.000 1.119 23 G CA 0.201 45.384 45.100 0.138 0.000 0.766 23 G HN 0.361 nan 8.290 nan 0.000 0.552 24 R N -1.559 118.980 120.500 0.065 0.000 2.312 24 R HA 0.127 4.467 4.340 -0.000 0.000 0.205 24 R C -0.098 176.150 176.300 -0.087 0.000 0.904 24 R CA -0.548 55.467 56.100 -0.142 0.000 1.052 24 R CB 0.246 30.228 30.300 -0.531 0.000 1.014 24 R HN 0.329 nan 8.270 nan 0.000 0.503 25 W N 1.756 123.163 121.300 0.178 0.000 2.272 25 W HA 0.220 4.879 4.660 -0.000 0.000 0.318 25 W C 0.487 177.168 176.519 0.270 0.000 1.255 25 W CA -0.262 57.250 57.345 0.278 0.000 1.200 25 W CB 0.671 30.268 29.460 0.227 0.000 1.170 25 W HN -0.307 nan 8.180 nan 0.000 0.549 26 R N 3.069 123.884 120.500 0.526 0.000 2.621 26 R HA 0.482 4.822 4.340 -0.000 0.000 0.292 26 R C -1.463 174.850 176.300 0.022 0.000 0.969 26 R CA -1.487 54.754 56.100 0.235 0.000 0.887 26 R CB 1.749 32.104 30.300 0.091 0.000 1.180 26 R HN 0.436 nan 8.270 nan 0.000 0.450 27 L N 2.874 123.838 121.223 -0.432 0.000 2.282 27 L HA 0.444 4.784 4.340 -0.000 0.000 0.288 27 L C -0.706 175.913 176.870 -0.418 0.000 1.033 27 L CA -0.074 54.221 54.840 -0.907 0.000 0.807 27 L CB 0.913 42.175 42.059 -1.327 0.000 1.209 27 L HN 0.421 nan 8.230 nan 0.000 0.423 28 N N 4.222 122.733 118.700 -0.316 0.000 2.321 28 N HA 0.491 5.231 4.740 -0.000 0.000 0.299 28 N C -1.536 173.908 175.510 -0.111 0.000 1.048 28 N CA -0.343 52.613 53.050 -0.157 0.000 0.836 28 N CB 1.861 40.302 38.487 -0.077 0.000 1.269 28 N HN 0.540 nan 8.380 nan 0.000 0.486 29 C N 0.909 120.172 119.300 -0.062 0.000 2.396 29 C HA 0.447 4.907 4.460 -0.000 0.000 0.321 29 C C 0.057 175.060 174.990 0.021 0.000 1.233 29 C CA -0.699 58.325 59.018 0.010 0.000 1.440 29 C CB 1.139 28.910 27.740 0.052 0.000 2.110 29 C HN 0.640 nan 8.230 nan 0.000 0.473 30 E N 1.968 122.188 120.200 0.033 0.000 2.281 30 E HA 0.331 4.681 4.350 -0.000 0.000 0.266 30 E C -0.386 176.243 176.600 0.049 0.000 0.893 30 E CA -0.435 55.986 56.400 0.035 0.000 0.798 30 E CB 0.745 30.454 29.700 0.015 0.000 1.245 30 E HN 0.724 nan 8.360 nan 0.000 0.410 31 R N 2.253 122.806 120.500 0.087 0.000 3.516 31 R HA -0.306 4.033 4.340 -0.000 0.000 0.271 31 R C 0.782 177.170 176.300 0.147 0.000 1.098 31 R CA 0.840 57.001 56.100 0.103 0.000 0.732 31 R CB -1.797 28.510 30.300 0.010 0.000 1.152 31 R HN 1.011 nan 8.270 nan 0.000 0.455 32 G N -0.125 108.755 108.800 0.135 0.000 2.284 32 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.230 32 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.230 32 G C 0.211 174.995 174.900 -0.193 0.000 1.021 32 G CA 0.215 45.197 45.100 -0.197 0.000 0.619 32 G HN 0.441 nan 8.290 nan 0.000 0.510 33 R N 1.606 122.083 120.500 -0.040 0.000 2.502 33 R HA 0.315 4.655 4.340 -0.000 0.000 0.292 33 R C -0.342 175.974 176.300 0.026 0.000 0.998 33 R CA 0.564 56.659 56.100 -0.009 0.000 1.056 33 R CB 0.018 30.321 30.300 0.004 0.000 0.939 33 R HN 0.502 nan 8.270 nan 0.000 0.411 34 Q N 2.903 122.739 119.800 0.059 0.000 2.348 34 Q HA 0.261 4.600 4.340 -0.000 0.000 0.265 34 Q C -0.881 175.168 176.000 0.082 0.000 0.998 34 Q CA -0.599 55.259 55.803 0.092 0.000 0.831 34 Q CB 2.313 31.214 28.738 0.271 0.000 1.251 34 Q HN 0.703 nan 8.270 nan 0.000 0.456 35 T N -1.518 113.026 114.554 -0.017 0.000 2.893 35 T HA 0.623 4.973 4.350 -0.000 0.000 0.293 35 T C -1.128 173.553 174.700 -0.031 0.000 1.027 35 T CA -0.740 61.406 62.100 0.078 0.000 0.988 35 T CB 0.956 69.903 68.868 0.132 0.000 1.043 35 T HN 0.436 nan 8.240 nan 0.000 0.461 36 W N 1.177 122.570 121.300 0.155 0.000 2.496 36 W HA 0.615 5.275 4.660 -0.001 0.000 0.327 36 W C 0.017 176.802 176.519 0.444 0.000 1.086 36 W CA -0.361 57.107 57.345 0.205 0.000 1.222 36 W CB 2.155 31.620 29.460 0.008 0.000 1.304 36 W HN 0.678 nan 8.180 nan 0.000 0.547 37 T N 2.462 117.410 114.554 0.657 0.000 2.861 37 T HA 0.214 4.564 4.350 -0.000 0.000 0.287 37 T C -1.714 173.103 174.700 0.195 0.000 1.003 37 T CA -0.601 61.740 62.100 0.402 0.000 0.977 37 T CB 0.812 69.790 68.868 0.183 0.000 0.996 37 T HN 0.256 nan 8.240 nan 0.000 0.448 38 Y N 3.966 124.038 120.300 -0.380 0.000 2.454 38 Y HA 0.450 5.000 4.550 -0.000 0.000 0.345 38 Y C -0.448 175.226 175.900 -0.377 0.000 0.970 38 Y CA -1.275 56.320 58.100 -0.842 0.000 1.204 38 Y CB 0.288 38.005 38.460 -1.238 0.000 1.122 38 Y HN 0.399 nan 8.280 nan 0.000 0.514 39 L N 5.708 126.614 121.223 -0.528 0.000 2.490 39 L HA -0.045 4.295 4.340 -0.000 0.000 0.274 39 L C 0.984 177.537 176.870 -0.528 0.000 1.201 39 L CA 0.723 55.325 54.840 -0.397 0.000 0.869 39 L CB 0.916 42.809 42.059 -0.277 0.000 1.123 39 L HN 0.738 nan 8.230 nan 0.000 0.484 40 Q N 1.161 120.780 119.800 -0.301 0.000 2.442 40 Q HA -0.028 4.312 4.340 -0.000 0.000 0.228 40 Q C 0.972 176.875 176.000 -0.162 0.000 0.902 40 Q CA 0.337 56.001 55.803 -0.231 0.000 0.933 40 Q CB 0.265 28.928 28.738 -0.125 0.000 1.071 40 Q HN 0.717 nan 8.270 nan 0.000 0.562 41 D N 0.566 120.888 120.400 -0.129 0.000 2.120 41 D HA -0.141 4.498 4.640 -0.000 0.000 0.202 41 D C 1.273 177.516 176.300 -0.096 0.000 0.972 41 D CA 2.325 56.270 54.000 -0.092 0.000 0.837 41 D CB 0.627 41.385 40.800 -0.070 0.000 0.989 41 D HN 0.280 nan 8.370 nan 0.000 0.469 42 E N -1.642 118.488 120.200 -0.116 0.000 4.079 42 E HA -0.344 4.006 4.350 -0.000 0.000 0.188 42 E C 1.428 177.989 176.600 -0.064 0.000 1.200 42 E CA 2.379 58.718 56.400 -0.102 0.000 2.371 42 E CB -2.477 nan 29.700 nan 0.000 1.792 42 E HN 0.694 nan 8.360 nan 0.000 0.412 43 R N 0.437 120.906 120.500 -0.052 0.000 4.045 43 R HA 0.760 5.100 4.340 -0.000 0.000 0.174 43 R C 0.942 177.220 176.300 -0.036 0.000 1.805 43 R CA 1.397 57.475 56.100 -0.037 0.000 1.368 43 R CB -1.508 nan 30.300 nan 0.000 1.362 43 R HN 2.363 nan 8.270 nan 0.000 0.777 44 A N -0.768 122.029 122.820 -0.038 0.000 1.475 44 A HA 0.527 4.847 4.320 -0.000 0.000 0.233 44 A C 0.359 177.918 177.584 -0.041 0.000 1.498 44 A CA 0.057 52.072 52.037 -0.037 0.000 1.499 44 A CB -0.591 nan 19.000 nan 0.000 0.718 44 A HN 1.935 nan 8.150 nan 0.000 0.704 45 G N 1.403 110.184 108.800 -0.032 0.000 2.601 45 G HA2 0.668 4.628 3.960 -0.000 0.000 0.080 45 G HA3 0.668 4.628 3.960 -0.000 0.000 0.080 45 G C -0.603 174.284 174.900 -0.021 0.000 1.046 45 G CA 0.660 45.742 45.100 -0.030 0.000 1.143 45 G HN 1.774 nan 8.290 nan 0.000 0.507 46 R N -0.014 120.475 120.500 -0.017 0.000 2.795 46 R HA 0.752 5.091 4.340 -0.000 0.000 0.268 46 R C -0.960 175.341 176.300 0.001 0.000 1.041 46 R CA -0.806 55.289 56.100 -0.009 0.000 0.927 46 R CB 1.565 31.859 30.300 -0.010 0.000 1.235 46 R HN 0.463 nan 8.270 nan 0.000 0.463 47 E N 1.077 121.283 120.200 0.011 0.000 2.392 47 E HA -0.036 4.314 4.350 -0.000 0.000 0.264 47 E C -0.736 175.890 176.600 0.044 0.000 1.024 47 E CA -0.181 56.238 56.400 0.031 0.000 0.903 47 E CB 0.963 30.686 29.700 0.040 0.000 0.963 47 E HN 0.392 nan 8.360 nan 0.000 0.432 48 Q N 1.819 121.660 119.800 0.069 0.000 2.337 48 Q HA 0.032 4.372 4.340 -0.000 0.000 0.270 48 Q C -0.402 175.632 176.000 0.056 0.000 1.002 48 Q CA -0.145 55.700 55.803 0.070 0.000 0.888 48 Q CB 0.682 29.481 28.738 0.102 0.000 1.222 48 Q HN 0.602 nan 8.270 nan 0.000 0.400 49 T N 0.140 114.665 114.554 -0.049 0.000 2.881 49 T HA 0.420 4.770 4.350 -0.000 0.000 0.278 49 T C 1.157 175.512 174.700 -0.575 0.000 0.982 49 T CA -0.365 61.636 62.100 -0.164 0.000 0.989 49 T CB 1.266 70.069 68.868 -0.109 0.000 1.058 49 T HN 0.667 nan 8.240 nan 0.000 0.529 50 G N -0.145 108.158 108.800 -0.828 0.000 2.408 50 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.217 50 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.217 50 G C 1.292 176.056 174.900 -0.226 0.000 1.150 50 G CA 0.712 45.122 45.100 -1.150 0.000 0.776 50 G HN 0.631 nan 8.290 nan 0.000 0.542 51 L N 0.853 122.060 121.223 -0.027 0.000 2.012 51 L HA -0.005 4.335 4.340 -0.000 0.000 0.210 51 L C 2.557 179.526 176.870 0.164 0.000 1.073 51 L CA 2.143 57.034 54.840 0.085 0.000 0.748 51 L CB -0.907 41.132 42.059 -0.033 0.000 0.891 51 L HN 0.380 nan 8.230 nan 0.000 0.431 52 E N -0.377 119.854 120.200 0.051 0.000 2.051 52 E HA -0.212 4.137 4.350 -0.000 0.000 0.192 52 E C 2.205 178.906 176.600 0.167 0.000 0.991 52 E CA 1.264 57.756 56.400 0.153 0.000 0.799 52 E CB -0.394 29.367 29.700 0.102 0.000 0.748 52 E HN 0.647 nan 8.360 nan 0.000 0.449 53 A N 0.938 123.769 122.820 0.017 0.000 1.892 53 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 53 A C 2.098 179.781 177.584 0.166 0.000 1.188 53 A CA 1.812 53.876 52.037 0.046 0.000 0.631 53 A CB -0.968 17.974 19.000 -0.097 0.000 0.822 53 A HN 0.496 nan 8.150 nan 0.000 0.447 54 Y N 0.416 120.793 120.300 0.128 0.000 2.145 54 Y HA -0.073 4.477 4.550 -0.001 0.000 0.286 54 Y C 2.576 178.616 175.900 0.234 0.000 1.145 54 Y CA 1.591 59.840 58.100 0.249 0.000 1.148 54 Y CB -0.463 38.211 38.460 0.357 0.000 0.981 54 Y HN 0.297 nan 8.280 nan 0.000 0.507 55 A N 0.384 123.420 122.820 0.360 0.000 1.972 55 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 55 A C 2.086 179.688 177.584 0.030 0.000 1.169 55 A CA 1.791 54.002 52.037 0.291 0.000 0.635 55 A CB -1.000 18.330 19.000 0.550 0.000 0.810 55 A HN 0.581 nan 8.150 nan 0.000 0.446 56 L N -1.603 119.614 121.223 -0.010 0.000 2.509 56 L HA 0.223 4.563 4.340 -0.000 0.000 0.222 56 L C 1.614 178.441 176.870 -0.071 0.000 1.123 56 L CA 0.544 55.305 54.840 -0.132 0.000 0.856 56 L CB -0.147 41.858 42.059 -0.089 0.000 0.985 56 L HN 0.551 nan 8.230 nan 0.000 0.456 57 G N 0.652 109.433 108.800 -0.031 0.000 2.137 57 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.237 57 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.237 57 G C 0.127 175.052 174.900 0.041 0.000 1.002 57 G CA -0.223 44.870 45.100 -0.012 0.000 0.702 57 G HN 0.183 nan 8.290 nan 0.000 0.515 58 L N 0.021 121.287 121.223 0.070 0.000 2.466 58 L HA 0.409 4.749 4.340 -0.000 0.000 0.257 58 L C 0.973 177.923 176.870 0.134 0.000 1.189 58 L CA -0.585 54.315 54.840 0.100 0.000 0.813 58 L CB 0.440 42.569 42.059 0.117 0.000 1.118 58 L HN 0.264 nan 8.230 nan 0.000 0.471 59 D N -0.187 120.293 120.400 0.133 0.000 2.487 59 D HA -0.038 4.602 4.640 -0.000 0.000 0.243 59 D C 0.810 177.238 176.300 0.213 0.000 1.154 59 D CA 0.228 54.317 54.000 0.149 0.000 0.876 59 D CB 0.851 41.717 40.800 0.109 0.000 1.161 59 D HN 0.613 nan 8.370 nan 0.000 0.478 60 T N 0.348 115.053 114.554 0.252 0.000 3.054 60 T HA 0.101 4.450 4.350 -0.000 0.000 0.255 60 T C 1.399 176.236 174.700 0.229 0.000 1.035 60 T CA -0.334 61.957 62.100 0.318 0.000 0.941 60 T CB -0.003 69.112 68.868 0.412 0.000 1.026 60 T HN 0.329 nan 8.240 nan 0.000 0.533 61 K N 1.774 122.269 120.400 0.159 0.000 2.160 61 K HA -0.095 4.224 4.320 -0.000 0.000 0.206 61 K C 1.486 178.090 176.600 0.007 0.000 1.047 61 K CA 1.377 57.724 56.287 0.100 0.000 0.930 61 K CB -0.206 32.337 32.500 0.071 0.000 0.720 61 K HN 0.309 nan 8.250 nan 0.000 0.450 62 N N -0.215 118.417 118.700 -0.113 0.000 2.494 62 N HA -0.066 4.674 4.740 -0.000 0.000 0.182 62 N C 1.077 176.313 175.510 -0.456 0.000 1.076 62 N CA 0.971 53.844 53.050 -0.294 0.000 0.908 62 N CB 0.070 38.301 38.487 -0.425 0.000 0.967 62 N HN 0.336 nan 8.380 nan 0.000 0.449 63 Y N -0.912 119.238 120.300 -0.250 0.000 2.422 63 Y HA 0.256 4.805 4.550 -0.000 0.000 0.291 63 Y C 0.056 175.752 175.900 -0.341 0.000 1.144 63 Y CA 0.047 57.851 58.100 -0.495 0.000 1.208 63 Y CB 0.192 38.001 38.460 -1.085 0.000 1.195 63 Y HN -0.180 nan 8.280 nan 0.000 0.535 64 F N 2.578 122.691 119.950 0.271 0.000 2.430 64 F HA 0.345 4.871 4.527 -0.000 0.000 0.362 64 F C 0.083 175.992 175.800 0.183 0.000 1.103 64 F CA -2.171 55.968 58.000 0.233 0.000 1.045 64 F CB 0.485 39.688 39.000 0.338 0.000 1.276 64 F HN -0.136 nan 8.300 nan 0.000 0.444 65 K N 0.590 121.162 120.400 0.286 0.000 2.180 65 K HA 0.282 4.601 4.320 -0.000 0.000 0.251 65 K C -0.731 175.961 176.600 0.153 0.000 1.014 65 K CA -0.700 55.689 56.287 0.171 0.000 0.913 65 K CB 0.734 33.304 32.500 0.117 0.000 1.008 65 K HN 0.237 nan 8.250 nan 0.000 0.490 66 D N 1.439 121.898 120.400 0.097 0.000 2.424 66 D HA 0.140 4.780 4.640 -0.000 0.000 0.244 66 D C -0.056 176.274 176.300 0.051 0.000 1.134 66 D CA 0.099 54.134 54.000 0.059 0.000 0.881 66 D CB 0.469 41.291 40.800 0.037 0.000 1.191 66 D HN 0.350 nan 8.370 nan 0.000 0.445 67 L N 2.837 124.076 121.223 0.027 0.000 2.332 67 L HA 0.465 4.805 4.340 -0.000 0.000 0.269 67 L C -2.049 174.821 176.870 -0.000 0.000 1.016 67 L CA -2.107 52.745 54.840 0.021 0.000 0.809 67 L CB 0.855 42.922 42.059 0.014 0.000 1.280 67 L HN 0.127 nan 8.230 nan 0.000 0.447 68 P HA 0.029 nan 4.420 nan 0.000 0.265 68 P C -0.769 176.516 177.300 -0.025 0.000 1.193 68 P CA -0.240 62.868 63.100 0.013 0.000 0.765 68 P CB 0.410 32.134 31.700 0.040 0.000 0.823 69 K N 2.375 122.750 120.400 -0.042 0.000 2.484 69 K HA 0.289 4.609 4.320 -0.000 0.000 0.280 69 K C -0.219 176.227 176.600 -0.257 0.000 1.013 69 K CA -0.257 55.938 56.287 -0.152 0.000 1.029 69 K CB 0.135 32.544 32.500 -0.151 0.000 0.902 69 K HN 0.532 nan 8.250 nan 0.000 0.481 70 A N 4.784 127.425 122.820 -0.297 0.000 2.328 70 A HA 0.215 4.535 4.320 -0.000 0.000 0.284 70 A C -0.234 177.118 177.584 -0.387 0.000 1.160 70 A CA -0.475 51.431 52.037 -0.218 0.000 0.818 70 A CB 0.287 19.221 19.000 -0.111 0.000 1.087 70 A HN 0.950 nan 8.150 nan 0.000 0.504 71 H N 1.318 120.415 119.070 0.045 0.000 2.893 71 H HA 0.133 4.689 4.556 -0.001 0.000 0.270 71 H C 0.327 175.685 175.328 0.050 0.000 1.095 71 H CA 1.057 57.128 56.048 0.039 0.000 1.186 71 H CB 0.670 30.452 29.762 0.034 0.000 1.562 71 H HN 0.793 nan 8.280 nan 0.000 0.536 72 T N -3.488 111.159 114.554 0.156 0.000 2.887 72 T HA 0.618 4.968 4.350 -0.000 0.000 0.292 72 T C 1.358 176.152 174.700 0.158 0.000 1.087 72 T CA -0.262 61.931 62.100 0.156 0.000 1.009 72 T CB 2.199 71.183 68.868 0.193 0.000 1.203 72 T HN -0.030 nan 8.240 nan 0.000 0.518 73 A N 0.547 123.480 122.820 0.188 0.000 1.902 73 A HA 0.075 4.395 4.320 -0.000 0.000 0.217 73 A C 1.883 179.616 177.584 0.248 0.000 1.181 73 A CA 1.536 53.696 52.037 0.205 0.000 0.623 73 A CB -1.251 17.937 19.000 0.314 0.000 0.818 73 A HN 0.884 nan 8.150 nan 0.000 0.443 74 F N 0.907 120.954 119.950 0.162 0.000 2.095 74 F HA -0.199 4.328 4.527 -0.001 0.000 0.298 74 F C 2.230 178.109 175.800 0.131 0.000 1.104 74 F CA 2.320 60.407 58.000 0.147 0.000 1.232 74 F CB -0.183 38.896 39.000 0.133 0.000 0.987 74 F HN 0.348 nan 8.300 nan 0.000 0.475 75 E N -0.069 120.182 120.200 0.086 0.000 2.106 75 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 75 E C 2.472 179.036 176.600 -0.059 0.000 0.984 75 E CA 0.894 57.272 56.400 -0.036 0.000 0.806 75 E CB -0.646 29.110 29.700 0.094 0.000 0.750 75 E HN 0.608 nan 8.360 nan 0.000 0.458 76 G N 1.310 110.123 108.800 0.021 0.000 2.421 76 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 76 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 76 G C 1.710 176.692 174.900 0.136 0.000 1.171 76 G CA 0.862 46.007 45.100 0.074 0.000 0.775 76 G HN 0.345 nan 8.290 nan 0.000 0.543 77 A N 0.412 123.293 122.820 0.102 0.000 1.902 77 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 77 A C 2.382 179.971 177.584 0.008 0.000 1.181 77 A CA 1.349 53.439 52.037 0.089 0.000 0.623 77 A CB -0.489 18.549 19.000 0.062 0.000 0.818 77 A HN 0.354 nan 8.150 nan 0.000 0.443 78 L N -0.371 120.759 121.223 -0.155 0.000 1.994 78 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 78 L C 2.223 179.103 176.870 0.017 0.000 1.071 78 L CA 1.969 56.733 54.840 -0.127 0.000 0.745 78 L CB -0.587 41.247 42.059 -0.375 0.000 0.892 78 L HN 0.385 nan 8.230 nan 0.000 0.431 79 N N 0.356 119.039 118.700 -0.028 0.000 2.104 79 N HA -0.155 4.585 4.740 -0.000 0.000 0.190 79 N C 1.690 177.203 175.510 0.006 0.000 1.024 79 N CA 1.476 54.513 53.050 -0.021 0.000 0.853 79 N CB -0.757 37.664 38.487 -0.111 0.000 1.008 79 N HN 0.441 nan 8.380 nan 0.000 0.424 80 G N 0.658 109.480 108.800 0.037 0.000 2.418 80 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 80 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 80 G C 1.546 176.556 174.900 0.183 0.000 1.158 80 G CA 0.655 45.867 45.100 0.187 0.000 0.771 80 G HN 0.233 nan 8.290 nan 0.000 0.545 81 M N 0.337 119.980 119.600 0.072 0.000 2.200 81 M HA -0.038 4.442 4.480 -0.000 0.000 0.265 81 M C 2.800 179.021 176.300 -0.132 0.000 1.066 81 M CA 1.503 56.729 55.300 -0.124 0.000 1.127 81 M CB -0.537 31.888 32.600 -0.293 0.000 1.379 81 M HN 0.136 nan 8.290 nan 0.000 0.420 82 T N 0.713 115.354 114.554 0.145 0.000 2.684 82 T HA -0.186 4.163 4.350 -0.000 0.000 0.267 82 T C 1.415 176.175 174.700 0.100 0.000 1.036 82 T CA 1.526 63.772 62.100 0.243 0.000 1.148 82 T CB -0.479 68.539 68.868 0.250 0.000 0.863 82 T HN 0.338 nan 8.240 nan 0.000 0.436 83 F N 0.386 120.308 119.950 -0.046 0.000 2.051 83 F HA -0.108 4.418 4.527 -0.001 0.000 0.296 83 F C 2.252 177.943 175.800 -0.181 0.000 1.122 83 F CA 1.189 59.091 58.000 -0.164 0.000 1.201 83 F CB -0.452 38.464 39.000 -0.141 0.000 0.978 83 F HN 0.154 nan 8.300 nan 0.000 0.472 84 Y N 0.031 120.234 120.300 -0.162 0.000 2.224 84 Y HA -0.193 4.356 4.550 -0.000 0.000 0.289 84 Y C 2.231 178.061 175.900 -0.117 0.000 1.146 84 Y CA 1.496 59.468 58.100 -0.212 0.000 1.182 84 Y CB -0.295 38.107 38.460 -0.096 0.000 0.983 84 Y HN -0.061 nan 8.280 nan 0.000 0.524 85 V N -0.136 119.696 119.914 -0.138 0.000 2.469 85 V HA -0.309 3.810 4.120 -0.000 0.000 0.251 85 V C 2.461 178.418 176.094 -0.229 0.000 1.064 85 V CA 1.910 64.142 62.300 -0.114 0.000 1.066 85 V CB -1.354 30.351 31.823 -0.197 0.000 0.667 85 V HN 0.658 nan 8.190 nan 0.000 0.461 86 G N -0.698 107.893 108.800 -0.348 0.000 2.559 86 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.216 86 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.216 86 G C 1.304 175.930 174.900 -0.457 0.000 1.126 86 G CA 0.319 45.195 45.100 -0.374 0.000 0.778 86 G HN 0.532 nan 8.290 nan 0.000 0.543 87 L N -0.355 120.512 121.223 -0.594 0.000 2.607 87 L HA 0.216 4.555 4.340 -0.000 0.000 0.228 87 L C 1.306 177.809 176.870 -0.611 0.000 1.123 87 L CA -0.270 54.247 54.840 -0.539 0.000 0.890 87 L CB 0.029 41.724 42.059 -0.608 0.000 1.103 87 L HN 0.220 nan 8.230 nan 0.000 0.468 88 Q N 1.553 120.853 119.800 -0.833 0.000 2.330 88 Q HA 0.274 4.614 4.340 -0.000 0.000 0.279 88 Q C 0.208 175.730 176.000 -0.797 0.000 1.024 88 Q CA -0.124 54.890 55.803 -1.314 0.000 0.900 88 Q CB 1.169 29.119 28.738 -1.313 0.000 1.221 88 Q HN 0.331 nan 8.270 nan 0.000 0.396 89 A N 3.010 125.333 122.820 -0.829 0.000 2.296 89 A HA 0.043 4.363 4.320 -0.000 0.000 0.264 89 A C 0.894 178.232 177.584 -0.409 0.000 1.097 89 A CA -0.029 51.677 52.037 -0.551 0.000 0.811 89 A CB 0.300 18.927 19.000 -0.621 0.000 1.072 89 A HN 0.976 nan 8.150 nan 0.000 0.495 90 E N 0.435 120.486 120.200 -0.248 0.000 2.274 90 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 90 E C 0.265 176.797 176.600 -0.112 0.000 0.996 90 E CA 1.491 57.793 56.400 -0.164 0.000 0.840 90 E CB -0.340 29.296 29.700 -0.108 0.000 0.772 90 E HN 0.709 nan 8.360 nan 0.000 0.491 91 D N -0.328 120.025 120.400 -0.080 0.000 2.328 91 D HA 0.147 4.787 4.640 -0.000 0.000 0.226 91 D C 1.313 177.622 176.300 0.014 0.000 1.066 91 D CA 0.663 54.679 54.000 0.027 0.000 0.861 91 D CB 0.198 41.082 40.800 0.139 0.000 0.912 91 D HN 0.311 nan 8.370 nan 0.000 0.521 92 G N 0.226 108.906 108.800 -0.200 0.000 2.213 92 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.236 92 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.236 92 G C 0.225 174.809 174.900 -0.527 0.000 0.991 92 G CA 0.273 45.198 45.100 -0.292 0.000 0.629 92 G HN 0.841 nan 8.290 nan 0.000 0.517 93 H N -1.157 117.401 119.070 -0.854 0.000 2.499 93 H HA 0.673 5.229 4.556 -0.000 0.000 0.352 93 H C -0.157 174.765 175.328 -0.677 0.000 1.237 93 H CA -1.106 54.365 56.048 -0.962 0.000 1.343 93 H CB 0.876 29.592 29.762 -1.743 0.000 1.578 93 H HN 0.203 nan 8.280 nan 0.000 0.577 94 W N 2.029 123.016 121.300 -0.521 0.000 2.496 94 W HA 0.259 4.919 4.660 -0.000 0.000 0.327 94 W C -0.098 176.240 176.519 -0.303 0.000 1.086 94 W CA -0.532 56.537 57.345 -0.459 0.000 1.222 94 W CB 2.224 31.521 29.460 -0.272 0.000 1.304 94 W HN 0.849 nan 8.180 nan 0.000 0.547 95 T N 0.136 114.641 114.554 -0.081 0.000 2.884 95 T HA 0.895 5.245 4.350 -0.000 0.000 0.277 95 T C 0.017 174.755 174.700 0.063 0.000 0.976 95 T CA -0.357 61.774 62.100 0.052 0.000 0.956 95 T CB 2.163 71.155 68.868 0.207 0.000 1.113 95 T HN 0.657 nan 8.240 nan 0.000 0.554 96 G N -0.055 108.597 108.800 -0.246 0.000 2.404 96 G HA2 0.358 4.318 3.960 -0.000 0.000 0.298 96 G HA3 0.358 4.318 3.960 -0.000 0.000 0.298 96 G C -1.573 172.703 174.900 -1.040 0.000 1.577 96 G CA -0.893 43.997 45.100 -0.350 0.000 0.847 96 G HN 0.860 nan 8.290 nan 0.000 0.598 97 D N -0.349 119.541 120.400 -0.851 0.000 2.472 97 D HA 0.047 4.687 4.640 -0.000 0.000 0.248 97 D C -0.567 175.541 176.300 -0.320 0.000 1.174 97 D CA 0.421 53.949 54.000 -0.788 0.000 0.883 97 D CB 0.549 41.246 40.800 -0.172 0.000 1.149 97 D HN 0.329 nan 8.370 nan 0.000 0.488 98 Y N 3.656 123.691 120.300 -0.441 0.000 2.672 98 Y HA 0.397 4.946 4.550 -0.001 0.000 0.272 98 Y C 0.414 176.204 175.900 -0.182 0.000 1.055 98 Y CA -0.525 57.408 58.100 -0.277 0.000 1.151 98 Y CB 0.516 38.848 38.460 -0.213 0.000 1.190 98 Y HN 0.363 nan 8.280 nan 0.000 0.574 99 G N -0.731 107.927 108.800 -0.237 0.000 2.543 99 G HA2 0.501 4.461 3.960 -0.000 0.000 0.267 99 G HA3 0.501 4.461 3.960 -0.000 0.000 0.267 99 G C 0.591 175.365 174.900 -0.209 0.000 1.406 99 G CA -0.094 44.877 45.100 -0.215 0.000 1.048 99 G HN 0.734 nan 8.290 nan 0.000 0.548 100 G N -1.481 107.260 108.800 -0.099 0.000 3.638 100 G HA2 -0.086 3.873 3.960 -0.000 0.000 0.196 100 G HA3 -0.086 3.873 3.960 -0.000 0.000 0.196 100 G C -2.625 172.271 174.900 -0.008 0.000 1.315 100 G CA 0.074 45.142 45.100 -0.053 0.000 0.944 100 G HN 0.754 nan 8.290 nan 0.000 0.434 101 P HA 0.512 nan 4.420 nan 0.000 0.271 101 P C 0.388 177.563 177.300 -0.207 0.000 1.218 101 P CA 0.201 63.212 63.100 -0.147 0.000 0.780 101 P CB 0.707 32.185 31.700 -0.370 0.000 0.901 102 L N 1.756 122.889 121.223 -0.149 0.000 3.014 102 L HA 0.278 4.618 4.340 -0.000 0.000 0.263 102 L C 0.500 177.283 176.870 -0.145 0.000 1.207 102 L CA 0.094 54.876 54.840 -0.097 0.000 1.017 102 L CB -0.271 41.790 42.059 0.004 0.000 1.360 102 L HN 0.389 nan 8.230 nan 0.000 0.560 103 F N -3.299 116.604 119.950 -0.079 0.000 2.654 103 F HA 0.378 4.905 4.527 -0.000 0.000 0.303 103 F C 1.048 176.835 175.800 -0.022 0.000 1.099 103 F CA -0.405 57.504 58.000 -0.151 0.000 1.270 103 F CB -0.508 38.431 39.000 -0.101 0.000 1.024 103 F HN -0.144 nan 8.300 nan 0.000 0.548 104 L N -0.083 120.994 121.223 -0.244 0.000 2.185 104 L HA 0.094 4.433 4.340 -0.000 0.000 0.198 104 L C 2.293 179.045 176.870 -0.197 0.000 1.079 104 L CA 0.549 55.283 54.840 -0.176 0.000 0.780 104 L CB -0.705 41.223 42.059 -0.219 0.000 0.955 104 L HN 0.182 nan 8.230 nan 0.000 0.462 105 L N 0.231 121.337 121.223 -0.194 0.000 2.043 105 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 105 L C -0.208 176.498 176.870 -0.273 0.000 1.075 105 L CA 1.698 56.422 54.840 -0.192 0.000 0.752 105 L CB -1.603 40.370 42.059 -0.143 0.000 0.891 105 L HN 0.196 nan 8.230 nan 0.000 0.432 106 P HA -0.165 nan 4.420 nan 0.000 0.215 106 P C 1.582 178.469 177.300 -0.689 0.000 1.157 106 P CA 1.834 64.682 63.100 -0.421 0.000 0.868 106 P CB -0.224 31.249 31.700 -0.379 0.000 0.788 107 G N -0.002 108.213 108.800 -0.975 0.000 2.446 107 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 107 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 107 G C 1.550 175.924 174.900 -0.877 0.000 1.168 107 G CA 0.427 44.488 45.100 -1.731 0.000 0.771 107 G HN 0.229 nan 8.290 nan 0.000 0.551 108 L N -0.155 120.806 121.223 -0.438 0.000 2.012 108 L HA -0.028 4.312 4.340 -0.000 0.000 0.210 108 L C 2.915 179.671 176.870 -0.190 0.000 1.073 108 L CA 1.307 56.012 54.840 -0.225 0.000 0.748 108 L CB -0.213 41.758 42.059 -0.147 0.000 0.891 108 L HN 0.251 nan 8.230 nan 0.000 0.431 109 L N -0.739 120.351 121.223 -0.223 0.000 2.109 109 L HA -0.211 4.129 4.340 -0.000 0.000 0.207 109 L C 2.453 179.245 176.870 -0.130 0.000 1.086 109 L CA 0.917 55.667 54.840 -0.150 0.000 0.760 109 L CB -0.267 41.695 42.059 -0.161 0.000 0.910 109 L HN 0.236 nan 8.230 nan 0.000 0.437 110 I N -0.511 119.931 120.570 -0.213 0.000 2.226 110 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 110 I C 2.455 178.567 176.117 -0.009 0.000 1.100 110 I CA 1.439 62.675 61.300 -0.108 0.000 1.374 110 I CB -0.405 37.522 38.000 -0.123 0.000 1.057 110 I HN 0.241 nan 8.210 nan 0.000 0.413 111 T N -0.200 114.329 114.554 -0.042 0.000 2.777 111 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 111 T C 2.030 176.695 174.700 -0.058 0.000 1.040 111 T CA 1.351 63.459 62.100 0.012 0.000 1.141 111 T CB -0.380 68.526 68.868 0.064 0.000 0.868 111 T HN 0.413 nan 8.240 nan 0.000 0.444 112 C N 0.671 119.946 119.300 -0.043 0.000 2.413 112 C HA -0.082 4.378 4.460 -0.000 0.000 0.277 112 C C 2.567 177.531 174.990 -0.045 0.000 1.265 112 C CA 0.781 59.778 59.018 -0.035 0.000 1.752 112 C CB -1.155 26.575 27.740 -0.017 0.000 1.998 112 C HN 0.683 nan 8.230 nan 0.000 0.489 113 H N 0.345 119.348 119.070 -0.111 0.000 2.299 113 H HA -0.098 4.458 4.556 -0.000 0.000 0.302 113 H C 1.992 177.230 175.328 -0.150 0.000 1.078 113 H CA 2.247 58.233 56.048 -0.104 0.000 1.323 113 H CB -0.184 29.528 29.762 -0.084 0.000 1.381 113 H HN 0.152 nan 8.280 nan 0.000 0.498 114 V N 0.521 120.356 119.914 -0.132 0.000 2.287 114 V HA -0.243 3.876 4.120 -0.000 0.000 0.248 114 V C 2.382 178.045 176.094 -0.719 0.000 1.053 114 V CA 1.924 64.027 62.300 -0.328 0.000 1.027 114 V CB -1.014 30.655 31.823 -0.257 0.000 0.646 114 V HN 0.674 nan 8.190 nan 0.000 0.447 115 A N -1.218 121.119 122.820 -0.805 0.000 2.307 115 A HA 0.161 4.481 4.320 -0.000 0.000 0.218 115 A C 0.982 178.345 177.584 -0.369 0.000 1.228 115 A CA -0.238 51.124 52.037 -1.125 0.000 0.857 115 A CB -0.129 18.253 19.000 -1.029 0.000 0.897 115 A HN 0.429 nan 8.150 nan 0.000 0.495 116 R N -1.051 119.303 120.500 -0.243 0.000 3.422 116 R HA -0.167 4.173 4.340 -0.000 0.000 0.267 116 R C -0.781 175.515 176.300 -0.007 0.000 1.074 116 R CA 0.756 56.794 56.100 -0.104 0.000 0.718 116 R CB -2.845 27.427 30.300 -0.047 0.000 1.157 116 R HN 0.597 nan 8.270 nan 0.000 0.440 117 I N 3.009 123.580 120.570 0.002 0.000 2.312 117 I HA 0.195 4.364 4.170 -0.000 0.000 0.291 117 I C -1.213 174.909 176.117 0.009 0.000 1.031 117 I CA -1.809 59.515 61.300 0.041 0.000 1.293 117 I CB 0.919 38.945 38.000 0.045 0.000 1.403 117 I HN -0.131 nan 8.210 nan 0.000 0.484 118 P HA 0.358 nan 4.420 nan 0.000 0.281 118 P C -0.809 176.473 177.300 -0.031 0.000 1.249 118 P CA -0.427 62.668 63.100 -0.007 0.000 0.810 118 P CB 1.289 32.986 31.700 -0.006 0.000 1.008 119 L N 2.829 124.031 121.223 -0.034 0.000 2.360 119 L HA 0.451 4.791 4.340 -0.000 0.000 0.271 119 L C -1.844 174.910 176.870 -0.193 0.000 1.057 119 L CA -2.173 52.607 54.840 -0.099 0.000 0.803 119 L CB 0.748 42.825 42.059 0.030 0.000 1.207 119 L HN 0.259 nan 8.230 nan 0.000 0.445 120 P HA 0.052 nan 4.420 nan 0.000 0.270 120 P C -0.729 176.477 177.300 -0.157 0.000 1.227 120 P CA -0.421 62.447 63.100 -0.387 0.000 0.788 120 P CB 0.381 31.695 31.700 -0.643 0.000 0.926 121 A N 1.125 123.930 122.820 -0.026 0.000 2.546 121 A HA 0.393 4.712 4.320 -0.000 0.000 0.243 121 A C 1.531 179.197 177.584 0.138 0.000 1.063 121 A CA 0.875 52.952 52.037 0.068 0.000 0.757 121 A CB -1.416 17.632 19.000 0.081 0.000 0.991 121 A HN 0.889 nan 8.150 nan 0.000 0.503 122 G N 1.011 109.843 108.800 0.053 0.000 2.284 122 G HA2 -0.323 3.636 3.960 -0.000 0.000 0.230 122 G HA3 -0.323 3.636 3.960 -0.000 0.000 0.230 122 G C 0.908 176.013 174.900 0.341 0.000 1.021 122 G CA 0.866 45.935 45.100 -0.052 0.000 0.619 122 G HN 0.717 nan 8.290 nan 0.000 0.510 123 Y N 0.909 121.316 120.300 0.178 0.000 2.114 123 Y HA 0.023 4.572 4.550 -0.000 0.000 0.284 123 Y C 2.927 178.852 175.900 0.041 0.000 1.143 123 Y CA 1.952 60.137 58.100 0.142 0.000 1.135 123 Y CB -0.617 37.915 38.460 0.120 0.000 0.980 123 Y HN 0.401 nan 8.280 nan 0.000 0.499 124 R N 0.573 121.189 120.500 0.193 0.000 2.083 124 R HA -0.227 4.112 4.340 -0.000 0.000 0.237 124 R C 1.917 178.243 176.300 0.043 0.000 1.137 124 R CA 2.084 58.235 56.100 0.086 0.000 0.951 124 R CB -0.147 30.189 30.300 0.059 0.000 0.851 124 R HN 0.263 nan 8.270 nan 0.000 0.434 125 E N 0.329 120.552 120.200 0.039 0.000 2.070 125 E HA -0.197 4.153 4.350 -0.000 0.000 0.197 125 E C 1.986 178.583 176.600 -0.005 0.000 1.004 125 E CA 1.621 58.027 56.400 0.010 0.000 0.805 125 E CB -0.039 29.656 29.700 -0.008 0.000 0.744 125 E HN 0.342 nan 8.360 nan 0.000 0.451 126 E N -0.213 119.976 120.200 -0.018 0.000 2.170 126 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 126 E C 2.218 178.765 176.600 -0.088 0.000 0.981 126 E CA 0.332 56.672 56.400 -0.100 0.000 0.830 126 E CB -0.012 29.535 29.700 -0.254 0.000 0.775 126 E HN 0.339 nan 8.360 nan 0.000 0.470 127 I N 0.530 121.063 120.570 -0.061 0.000 2.179 127 I HA -0.247 3.922 4.170 -0.000 0.000 0.242 127 I C 2.402 178.537 176.117 0.030 0.000 1.088 127 I CA 0.720 62.008 61.300 -0.021 0.000 1.357 127 I CB -0.346 37.640 38.000 -0.023 0.000 1.051 127 I HN -0.082 nan 8.210 nan 0.000 0.409 128 V N 1.158 121.075 119.914 0.006 0.000 2.282 128 V HA -0.351 3.769 4.120 -0.000 0.000 0.249 128 V C 2.690 178.800 176.094 0.026 0.000 1.057 128 V CA 2.242 64.545 62.300 0.005 0.000 1.032 128 V CB -0.866 30.954 31.823 -0.005 0.000 0.645 128 V HN 0.471 nan 8.190 nan 0.000 0.447 129 R N -1.111 119.402 120.500 0.022 0.000 2.096 129 R HA -0.214 4.126 4.340 -0.000 0.000 0.235 129 R C 2.350 178.682 176.300 0.054 0.000 1.127 129 R CA 2.173 58.287 56.100 0.023 0.000 0.968 129 R CB -0.535 29.764 30.300 -0.001 0.000 0.861 129 R HN 0.639 nan 8.270 nan 0.000 0.440 130 Y N 1.387 121.655 120.300 -0.052 0.000 2.097 130 Y HA -0.236 4.314 4.550 -0.001 0.000 0.282 130 Y C 2.189 178.113 175.900 0.040 0.000 1.152 130 Y CA 1.996 60.077 58.100 -0.031 0.000 1.136 130 Y CB -0.339 38.075 38.460 -0.075 0.000 0.975 130 Y HN 0.014 nan 8.280 nan 0.000 0.498 131 L N -0.024 121.196 121.223 -0.005 0.000 2.079 131 L HA -0.255 4.084 4.340 -0.000 0.000 0.210 131 L C 2.626 179.620 176.870 0.206 0.000 1.081 131 L CA 1.516 56.353 54.840 -0.006 0.000 0.752 131 L CB -0.564 41.466 42.059 -0.049 0.000 0.896 131 L HN 0.239 nan 8.230 nan 0.000 0.433 132 R N -0.544 120.025 120.500 0.114 0.000 2.081 132 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 132 R C 2.501 178.797 176.300 -0.006 0.000 1.131 132 R CA 1.579 57.732 56.100 0.087 0.000 0.960 132 R CB -0.339 29.984 30.300 0.040 0.000 0.856 132 R HN 0.281 nan 8.270 nan 0.000 0.436 133 S N 0.535 116.206 115.700 -0.048 0.000 2.382 133 S HA -0.107 4.363 4.470 -0.000 0.000 0.228 133 S C 2.045 176.573 174.600 -0.121 0.000 1.027 133 S CA 1.544 59.698 58.200 -0.076 0.000 0.991 133 S CB -0.097 63.074 63.200 -0.050 0.000 0.823 133 S HN 0.366 nan 8.310 nan 0.000 0.469 134 V N -0.467 119.334 119.914 -0.188 0.000 3.506 134 V HA 0.192 4.311 4.120 -0.000 0.000 0.263 134 V C 0.745 176.725 176.094 -0.190 0.000 1.203 134 V CA -0.076 62.127 62.300 -0.162 0.000 1.133 134 V CB -0.913 30.736 31.823 -0.289 0.000 0.802 134 V HN 0.344 nan 8.190 nan 0.000 0.459 135 Q N 1.117 120.741 119.800 -0.293 0.000 2.310 135 Q HA 0.144 4.483 4.340 -0.000 0.000 0.315 135 Q C -0.393 175.250 176.000 -0.596 0.000 1.081 135 Q CA 0.175 55.385 55.803 -0.987 0.000 0.981 135 Q CB 0.423 28.660 28.738 -0.835 0.000 1.184 135 Q HN 0.684 nan 8.270 nan 0.000 0.389 136 L N 6.040 126.898 121.223 -0.609 0.000 2.453 136 L HA 0.141 4.480 4.340 -0.000 0.000 0.261 136 L C -1.460 175.240 176.870 -0.283 0.000 1.179 136 L CA -1.710 52.928 54.840 -0.337 0.000 0.813 136 L CB 0.162 42.066 42.059 -0.259 0.000 1.110 136 L HN 0.652 nan 8.230 nan 0.000 0.466 137 P HA -0.198 nan 4.420 nan 0.000 0.217 137 P C 0.652 177.865 177.300 -0.145 0.000 1.148 137 P CA 1.228 64.237 63.100 -0.152 0.000 0.828 137 P CB -0.041 31.592 31.700 -0.112 0.000 0.783 138 D N -1.930 118.384 120.400 -0.143 0.000 2.363 138 D HA 0.027 4.666 4.640 -0.000 0.000 0.226 138 D C 1.464 177.677 176.300 -0.146 0.000 1.020 138 D CA 0.962 54.890 54.000 -0.119 0.000 0.892 138 D CB -0.885 39.862 40.800 -0.089 0.000 0.900 138 D HN 0.278 nan 8.370 nan 0.000 0.531 139 G N -1.324 107.340 108.800 -0.227 0.000 2.213 139 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.226 139 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.226 139 G C 0.590 175.255 174.900 -0.392 0.000 0.992 139 G CA 0.067 45.004 45.100 -0.272 0.000 0.632 139 G HN 0.828 nan 8.290 nan 0.000 0.511 140 G N -1.623 106.971 108.800 -0.343 0.000 2.642 140 G HA2 0.607 4.567 3.960 -0.000 0.000 0.291 140 G HA3 0.607 4.567 3.960 -0.000 0.000 0.291 140 G C -0.534 174.143 174.900 -0.372 0.000 1.345 140 G CA -0.708 44.260 45.100 -0.220 0.000 1.043 140 G HN 0.332 nan 8.290 nan 0.000 0.528 141 W N -1.431 119.848 121.300 -0.036 0.000 3.107 141 W HA 0.538 5.197 4.660 -0.001 0.000 0.331 141 W C 0.156 176.644 176.519 -0.052 0.000 1.204 141 W CA -0.743 56.567 57.345 -0.058 0.000 1.184 141 W CB 2.011 31.432 29.460 -0.065 0.000 1.421 141 W HN 0.878 nan 8.180 nan 0.000 0.544 142 G N 0.366 109.252 108.800 0.144 0.000 2.857 142 G HA2 0.382 4.342 3.960 -0.000 0.000 0.217 142 G HA3 0.382 4.342 3.960 -0.000 0.000 0.217 142 G C -0.067 174.864 174.900 0.052 0.000 1.357 142 G CA -0.462 44.663 45.100 0.042 0.000 1.033 142 G HN 0.394 nan 8.290 nan 0.000 0.571 143 L N -0.377 120.855 121.223 0.016 0.000 2.217 143 L HA 0.232 4.572 4.340 -0.000 0.000 0.211 143 L C 0.952 177.975 176.870 0.254 0.000 1.107 143 L CA 1.834 56.794 54.840 0.201 0.000 0.783 143 L CB -0.798 41.388 42.059 0.212 0.000 0.919 143 L HN 0.796 nan 8.230 nan 0.000 0.442 144 H N -4.966 114.154 119.070 0.083 0.000 2.948 144 H HA 0.306 4.861 4.556 -0.000 0.000 0.315 144 H C 0.881 176.192 175.328 -0.028 0.000 1.360 144 H CA -0.286 55.759 56.048 -0.005 0.000 1.125 144 H CB -0.286 29.405 29.762 -0.119 0.000 1.844 144 H HN -0.077 nan 8.280 nan 0.000 0.529 145 I N -2.324 118.322 120.570 0.126 0.000 2.756 145 I HA 0.002 4.172 4.170 -0.000 0.000 0.262 145 I C 0.386 176.531 176.117 0.048 0.000 1.225 145 I CA 1.314 62.656 61.300 0.070 0.000 1.472 145 I CB -0.140 37.911 38.000 0.085 0.000 1.094 145 I HN 0.550 nan 8.210 nan 0.000 0.454 146 E N 1.109 121.384 120.200 0.125 0.000 2.465 146 E HA 0.093 4.443 4.350 -0.000 0.000 0.195 146 E C -0.365 176.202 176.600 -0.055 0.000 1.028 146 E CA -0.150 56.291 56.400 0.068 0.000 0.899 146 E CB 0.204 29.959 29.700 0.092 0.000 1.032 146 E HN 0.474 nan 8.360 nan 0.000 0.468 147 D N 1.137 121.303 120.400 -0.390 0.000 2.229 147 D HA 0.153 4.793 4.640 -0.000 0.000 0.249 147 D C -0.213 175.994 176.300 -0.155 0.000 1.027 147 D CA -0.376 53.389 54.000 -0.393 0.000 0.923 147 D CB 0.999 41.349 40.800 -0.751 0.000 1.174 147 D HN -0.245 nan 8.370 nan 0.000 0.443 148 K N 0.111 120.465 120.400 -0.076 0.000 2.149 148 K HA 0.265 4.585 4.320 -0.000 0.000 0.245 148 K C 0.177 176.757 176.600 -0.034 0.000 1.024 148 K CA -0.504 55.758 56.287 -0.040 0.000 0.899 148 K CB 0.322 32.818 32.500 -0.007 0.000 1.038 148 K HN 0.506 nan 8.250 nan 0.000 0.496 149 S N 0.048 115.734 115.700 -0.023 0.000 2.562 149 S HA 0.165 4.634 4.470 -0.000 0.000 0.281 149 S C 0.077 174.701 174.600 0.041 0.000 1.333 149 S CA -0.618 57.587 58.200 0.009 0.000 1.052 149 S CB 0.557 63.748 63.200 -0.015 0.000 0.884 149 S HN 0.652 nan 8.310 nan 0.000 0.506 150 T N -1.405 113.200 114.554 0.085 0.000 2.865 150 T HA 0.493 4.843 4.350 -0.000 0.000 0.294 150 T C 0.906 175.688 174.700 0.137 0.000 1.119 150 T CA -0.738 61.424 62.100 0.103 0.000 1.007 150 T CB 0.819 69.760 68.868 0.122 0.000 1.225 150 T HN 0.299 nan 8.240 nan 0.000 0.515 151 V N 0.362 120.359 119.914 0.138 0.000 2.358 151 V HA -0.016 4.104 4.120 -0.000 0.000 0.246 151 V C 2.147 178.374 176.094 0.223 0.000 1.047 151 V CA 1.699 64.089 62.300 0.150 0.000 1.035 151 V CB -1.157 30.740 31.823 0.124 0.000 0.658 151 V HN 0.808 nan 8.190 nan 0.000 0.452 152 F N 2.193 122.177 119.950 0.058 0.000 2.069 152 F HA -0.112 4.414 4.527 -0.000 0.000 0.298 152 F C 2.189 178.050 175.800 0.101 0.000 1.113 152 F CA 1.716 59.758 58.000 0.070 0.000 1.214 152 F CB -1.111 37.904 39.000 0.025 0.000 0.978 152 F HN 0.149 nan 8.300 nan 0.000 0.474 153 G N -1.567 107.292 108.800 0.098 0.000 2.394 153 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.215 153 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.215 153 G C 1.646 176.602 174.900 0.092 0.000 1.165 153 G CA 1.156 46.264 45.100 0.013 0.000 0.784 153 G HN 0.399 nan 8.290 nan 0.000 0.535 154 T N 1.665 116.348 114.554 0.216 0.000 2.732 154 T HA 0.091 4.441 4.350 -0.000 0.000 0.261 154 T C 2.857 177.671 174.700 0.190 0.000 1.040 154 T CA 1.400 63.703 62.100 0.339 0.000 1.145 154 T CB -0.396 68.628 68.868 0.259 0.000 0.866 154 T HN 0.326 nan 8.240 nan 0.000 0.427 155 A N 1.302 124.190 122.820 0.113 0.000 1.908 155 A HA 0.006 4.325 4.320 -0.000 0.000 0.218 155 A C 2.301 179.916 177.584 0.052 0.000 1.181 155 A CA 1.262 53.342 52.037 0.072 0.000 0.627 155 A CB -0.862 18.181 19.000 0.072 0.000 0.818 155 A HN 0.465 nan 8.150 nan 0.000 0.445 156 L N -0.558 120.652 121.223 -0.023 0.000 2.156 156 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 156 L C 2.046 178.770 176.870 -0.243 0.000 1.095 156 L CA 0.879 55.651 54.840 -0.114 0.000 0.770 156 L CB -0.506 41.450 42.059 -0.172 0.000 0.914 156 L HN 0.435 nan 8.230 nan 0.000 0.439 157 N N -0.830 117.635 118.700 -0.392 0.000 2.376 157 N HA -0.157 4.582 4.740 -0.000 0.000 0.177 157 N C 1.737 176.892 175.510 -0.592 0.000 1.024 157 N CA 0.686 53.294 53.050 -0.736 0.000 0.893 157 N CB 0.035 37.594 38.487 -1.546 0.000 0.980 157 N HN 0.290 nan 8.380 nan 0.000 0.439 158 Y N 2.382 122.448 120.300 -0.389 0.000 2.070 158 Y HA -0.225 4.324 4.550 -0.000 0.000 0.280 158 Y C 2.349 178.161 175.900 -0.146 0.000 1.148 158 Y CA 1.474 59.491 58.100 -0.138 0.000 1.125 158 Y CB -0.490 37.970 38.460 0.001 0.000 0.975 158 Y HN -0.253 nan 8.280 nan 0.000 0.492 159 V N -0.340 119.581 119.914 0.012 0.000 2.332 159 V HA -0.355 3.765 4.120 -0.000 0.000 0.248 159 V C 2.447 178.417 176.094 -0.207 0.000 1.055 159 V CA 2.174 64.422 62.300 -0.086 0.000 1.038 159 V CB -0.978 30.828 31.823 -0.027 0.000 0.651 159 V HN 0.473 nan 8.190 nan 0.000 0.450 160 S N -0.057 115.501 115.700 -0.236 0.000 2.365 160 S HA -0.190 4.280 4.470 -0.000 0.000 0.225 160 S C 1.874 176.339 174.600 -0.225 0.000 1.039 160 S CA 1.760 59.813 58.200 -0.245 0.000 1.033 160 S CB -0.402 62.624 63.200 -0.290 0.000 0.887 160 S HN 0.481 nan 8.310 nan 0.000 0.447 161 L N 0.862 121.930 121.223 -0.259 0.000 2.093 161 L HA -0.070 4.269 4.340 -0.000 0.000 0.208 161 L C 2.765 179.503 176.870 -0.220 0.000 1.085 161 L CA 0.922 55.635 54.840 -0.211 0.000 0.755 161 L CB -0.373 41.571 42.059 -0.193 0.000 0.904 161 L HN 0.174 nan 8.230 nan 0.000 0.435 162 R N 0.187 120.504 120.500 -0.304 0.000 2.081 162 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 162 R C 2.204 178.395 176.300 -0.181 0.000 1.131 162 R CA 1.388 57.327 56.100 -0.269 0.000 0.960 162 R CB -0.717 29.385 30.300 -0.331 0.000 0.856 162 R HN 0.377 nan 8.270 nan 0.000 0.436 163 I N 1.079 121.535 120.570 -0.191 0.000 2.264 163 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 163 I C 1.979 178.053 176.117 -0.070 0.000 1.111 163 I CA 1.171 62.382 61.300 -0.149 0.000 1.382 163 I CB -0.172 37.720 38.000 -0.179 0.000 1.060 163 I HN 0.070 nan 8.210 nan 0.000 0.418 164 L N 0.092 121.264 121.223 -0.086 0.000 2.610 164 L HA 0.070 4.410 4.340 -0.000 0.000 0.232 164 L C 1.456 178.301 176.870 -0.041 0.000 1.149 164 L CA 0.743 55.553 54.840 -0.051 0.000 0.872 164 L CB -0.241 41.783 42.059 -0.058 0.000 0.992 164 L HN 0.512 nan 8.230 nan 0.000 0.447 165 G N -0.771 107.996 108.800 -0.055 0.000 2.168 165 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.197 165 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.197 165 G C 0.093 174.962 174.900 -0.051 0.000 0.997 165 G CA -0.246 44.830 45.100 -0.040 0.000 0.658 165 G HN 0.025 nan 8.290 nan 0.000 0.513 166 V N 1.225 121.093 119.914 -0.078 0.000 2.583 166 V HA 0.646 4.765 4.120 -0.000 0.000 0.287 166 V C 1.384 177.418 176.094 -0.099 0.000 1.051 166 V CA 0.278 62.530 62.300 -0.080 0.000 1.010 166 V CB 1.342 33.110 31.823 -0.091 0.000 0.988 166 V HN 0.653 nan 8.190 nan 0.000 0.478 167 G N 4.442 113.202 108.800 -0.067 0.000 2.504 167 G HA2 0.437 4.397 3.960 -0.000 0.000 0.288 167 G HA3 0.437 4.397 3.960 -0.000 0.000 0.288 167 G C -1.344 173.521 174.900 -0.057 0.000 1.182 167 G CA -1.016 44.051 45.100 -0.055 0.000 0.894 167 G HN 0.600 nan 8.290 nan 0.000 0.521 168 P HA -0.004 nan 4.420 nan 0.000 0.226 168 P C 0.353 177.680 177.300 0.044 0.000 1.153 168 P CA 0.844 63.959 63.100 0.026 0.000 0.777 168 P CB 0.479 32.220 31.700 0.068 0.000 0.794 169 D N -0.620 119.792 120.400 0.019 0.000 2.349 169 D HA -0.014 4.626 4.640 -0.000 0.000 0.214 169 D C 0.552 176.858 176.300 0.011 0.000 1.063 169 D CA 0.148 54.159 54.000 0.018 0.000 0.847 169 D CB -0.155 40.652 40.800 0.012 0.000 0.933 169 D HN 0.238 nan 8.370 nan 0.000 0.513 170 D N 2.331 122.734 120.400 0.004 0.000 2.531 170 D HA -0.054 4.586 4.640 -0.000 0.000 0.239 170 D C -1.292 175.016 176.300 0.013 0.000 1.144 170 D CA -1.145 52.856 54.000 0.001 0.000 0.869 170 D CB 2.119 42.912 40.800 -0.011 0.000 1.160 170 D HN -0.026 nan 8.370 nan 0.000 0.484 171 P HA -0.133 nan 4.420 nan 0.000 0.218 171 P C 0.698 178.000 177.300 0.003 0.000 1.149 171 P CA 0.825 63.926 63.100 0.002 0.000 0.817 171 P CB 0.390 32.085 31.700 -0.008 0.000 0.785 172 D N -0.253 120.152 120.400 0.007 0.000 2.117 172 D HA -0.078 4.561 4.640 -0.000 0.000 0.197 172 D C 2.122 178.464 176.300 0.069 0.000 0.987 172 D CA 0.903 54.910 54.000 0.012 0.000 0.829 172 D CB -0.624 40.190 40.800 0.024 0.000 0.961 172 D HN 0.204 nan 8.370 nan 0.000 0.460 173 L N 0.262 121.544 121.223 0.098 0.000 2.240 173 L HA -0.065 4.275 4.340 -0.000 0.000 0.211 173 L C 2.392 179.403 176.870 0.236 0.000 1.106 173 L CA 0.290 55.251 54.840 0.201 0.000 0.793 173 L CB -0.137 41.960 42.059 0.063 0.000 0.927 173 L HN -0.054 nan 8.230 nan 0.000 0.446 174 V N 0.173 120.151 119.914 0.107 0.000 2.295 174 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 174 V C 2.591 178.689 176.094 0.006 0.000 1.049 174 V CA 1.812 64.139 62.300 0.046 0.000 1.024 174 V CB -0.586 31.245 31.823 0.014 0.000 0.648 174 V HN 0.434 nan 8.190 nan 0.000 0.447 175 R N -0.036 120.465 120.500 0.002 0.000 2.096 175 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 175 R C 2.423 178.705 176.300 -0.030 0.000 1.127 175 R CA 1.420 57.500 56.100 -0.034 0.000 0.968 175 R CB -0.585 29.679 30.300 -0.061 0.000 0.861 175 R HN 0.550 nan 8.270 nan 0.000 0.440 176 A N 1.158 124.003 122.820 0.040 0.000 1.858 176 A HA -0.194 4.125 4.320 -0.000 0.000 0.216 176 A C 2.130 179.716 177.584 0.004 0.000 1.190 176 A CA 1.444 53.548 52.037 0.112 0.000 0.617 176 A CB -0.496 18.759 19.000 0.425 0.000 0.827 176 A HN 0.243 nan 8.150 nan 0.000 0.443 177 R N -0.299 120.153 120.500 -0.081 0.000 2.091 177 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 177 R C 1.744 177.822 176.300 -0.370 0.000 1.136 177 R CA 1.860 57.734 56.100 -0.376 0.000 0.959 177 R CB -0.298 29.772 30.300 -0.384 0.000 0.856 177 R HN 0.536 nan 8.270 nan 0.000 0.437 178 N N 0.779 119.342 118.700 -0.228 0.000 2.142 178 N HA -0.174 4.566 4.740 -0.000 0.000 0.186 178 N C 1.798 177.268 175.510 -0.066 0.000 1.023 178 N CA 1.286 54.234 53.050 -0.170 0.000 0.852 178 N CB -0.273 38.152 38.487 -0.103 0.000 0.998 178 N HN 0.311 nan 8.380 nan 0.000 0.424 179 I N 0.894 121.436 120.570 -0.046 0.000 2.394 179 I HA -0.160 4.009 4.170 -0.000 0.000 0.251 179 I C 2.105 178.238 176.117 0.026 0.000 1.136 179 I CA 0.626 61.920 61.300 -0.011 0.000 1.425 179 I CB 0.067 38.053 38.000 -0.024 0.000 1.079 179 I HN 0.107 nan 8.210 nan 0.000 0.425 180 L N 0.224 121.463 121.223 0.028 0.000 2.012 180 L HA -0.302 4.037 4.340 -0.000 0.000 0.210 180 L C 2.557 179.518 176.870 0.152 0.000 1.073 180 L CA 1.841 56.724 54.840 0.073 0.000 0.748 180 L CB -0.763 41.310 42.059 0.024 0.000 0.891 180 L HN 0.346 nan 8.230 nan 0.000 0.431 181 H N -0.091 118.947 119.070 -0.054 0.000 2.353 181 H HA -0.193 4.362 4.556 -0.000 0.000 0.300 181 H C 2.192 177.514 175.328 -0.011 0.000 1.090 181 H CA 1.523 57.553 56.048 -0.030 0.000 1.327 181 H CB -0.197 29.547 29.762 -0.031 0.000 1.383 181 H HN 0.223 nan 8.280 nan 0.000 0.508 182 K N 0.781 121.253 120.400 0.121 0.000 2.113 182 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 182 K C 1.583 178.211 176.600 0.046 0.000 1.047 182 K CA 1.471 57.795 56.287 0.062 0.000 0.928 182 K CB 0.072 32.593 32.500 0.035 0.000 0.716 182 K HN 0.193 nan 8.250 nan 0.000 0.446 183 K N -1.590 118.840 120.400 0.050 0.000 2.486 183 K HA 0.017 4.337 4.320 -0.000 0.000 0.194 183 K C 0.872 177.494 176.600 0.038 0.000 1.033 183 K CA 0.645 56.957 56.287 0.042 0.000 1.004 183 K CB 0.597 33.127 32.500 0.050 0.000 0.798 183 K HN 0.423 nan 8.250 nan 0.000 0.495 184 G N -0.108 108.710 108.800 0.031 0.000 2.205 184 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.180 184 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.180 184 G C 0.429 175.330 174.900 0.001 0.000 1.004 184 G CA -0.330 44.779 45.100 0.015 0.000 0.670 184 G HN 0.616 nan 8.290 nan 0.000 0.496 185 G N -0.607 108.189 108.800 -0.007 0.000 2.782 185 G HA2 0.295 4.254 3.960 -0.000 0.000 0.228 185 G HA3 0.295 4.254 3.960 -0.000 0.000 0.228 185 G C 1.043 175.961 174.900 0.030 0.000 1.372 185 G CA 1.108 46.178 45.100 -0.050 0.000 0.862 185 G HN 1.867 nan 8.290 nan 0.000 0.547 186 A N -0.697 122.103 122.820 -0.033 0.000 2.206 186 A HA 0.364 4.683 4.320 -0.000 0.000 0.211 186 A C 2.670 180.511 177.584 0.430 0.000 1.158 186 A CA 2.790 54.876 52.037 0.082 0.000 0.761 186 A CB -0.563 18.336 19.000 -0.168 0.000 0.801 186 A HN 2.287 nan 8.150 nan 0.000 0.473 187 V N -2.983 117.224 119.914 0.489 0.000 2.594 187 V HA -0.032 4.088 4.120 -0.000 0.000 0.253 187 V C 1.988 178.285 176.094 0.339 0.000 1.069 187 V CA 1.753 64.332 62.300 0.465 0.000 1.082 187 V CB -1.074 30.842 31.823 0.155 0.000 0.680 187 V HN 0.479 nan 8.190 nan 0.000 0.469 188 A N -0.288 122.662 122.820 0.216 0.000 2.370 188 A HA 0.450 4.770 4.320 -0.000 0.000 0.238 188 A C 0.899 178.556 177.584 0.122 0.000 1.289 188 A CA -0.204 51.916 52.037 0.139 0.000 0.885 188 A CB -0.550 18.500 19.000 0.085 0.000 0.961 188 A HN 0.603 nan 8.150 nan 0.000 0.499 189 I N 1.083 121.750 120.570 0.162 0.000 2.634 189 I HA 0.193 4.363 4.170 -0.000 0.000 0.284 189 I C -2.204 173.929 176.117 0.026 0.000 1.124 189 I CA -2.246 59.125 61.300 0.119 0.000 1.417 189 I CB 1.374 39.470 38.000 0.159 0.000 1.396 189 I HN 0.067 nan 8.210 nan 0.000 0.571 190 P HA -0.052 nan 4.420 nan 0.000 0.267 190 P C 0.504 177.727 177.300 -0.129 0.000 1.201 190 P CA 0.075 63.047 63.100 -0.214 0.000 0.775 190 P CB 0.492 31.844 31.700 -0.581 0.000 0.854 191 S N 0.378 116.056 115.700 -0.036 0.000 2.392 191 S HA -0.240 4.230 4.470 -0.000 0.000 0.232 191 S C 1.528 176.262 174.600 0.223 0.000 1.041 191 S CA 1.204 59.468 58.200 0.107 0.000 1.026 191 S CB -1.372 61.959 63.200 0.218 0.000 0.845 191 S HN 0.409 nan 8.310 nan 0.000 0.465 192 W N 2.358 123.594 121.300 -0.107 0.000 2.363 192 W HA 0.267 4.926 4.660 -0.001 0.000 0.296 192 W C 2.830 179.527 176.519 0.297 0.000 1.212 192 W CA 0.112 57.479 57.345 0.036 0.000 1.260 192 W CB -1.345 28.149 29.460 0.056 0.000 1.131 192 W HN 0.476 nan 8.180 nan 0.000 0.530 193 G N 0.051 109.145 108.800 0.491 0.000 2.403 193 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 193 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 193 G C 1.571 176.551 174.900 0.133 0.000 1.154 193 G CA 0.858 46.262 45.100 0.507 0.000 0.784 193 G HN 0.209 nan 8.290 nan 0.000 0.538 194 K N -0.347 119.994 120.400 -0.098 0.000 2.032 194 K HA -0.110 4.210 4.320 -0.000 0.000 0.209 194 K C 2.137 178.515 176.600 -0.369 0.000 1.048 194 K CA 1.383 57.336 56.287 -0.557 0.000 0.927 194 K CB -0.407 31.816 32.500 -0.461 0.000 0.712 194 K HN 0.337 nan 8.250 nan 0.000 0.441 195 F N 0.310 120.106 119.950 -0.256 0.000 2.065 195 F HA -0.250 4.277 4.527 -0.000 0.000 0.298 195 F C 1.860 177.433 175.800 -0.378 0.000 1.112 195 F CA 1.621 59.417 58.000 -0.340 0.000 1.212 195 F CB -0.356 38.452 39.000 -0.322 0.000 0.975 195 F HN 0.089 nan 8.300 nan 0.000 0.476 196 W N 0.466 121.733 121.300 -0.055 0.000 2.388 196 W HA -0.094 4.566 4.660 -0.000 0.000 0.294 196 W C 2.267 178.647 176.519 -0.232 0.000 1.212 196 W CA 0.852 58.119 57.345 -0.131 0.000 1.271 196 W CB -0.324 29.198 29.460 0.104 0.000 1.126 196 W HN 0.016 nan 8.180 nan 0.000 0.535 197 L N -0.324 120.919 121.223 0.033 0.000 2.141 197 L HA -0.132 4.207 4.340 -0.000 0.000 0.209 197 L C 2.575 179.350 176.870 -0.160 0.000 1.094 197 L CA 1.022 55.860 54.840 -0.002 0.000 0.763 197 L CB -1.108 41.005 42.059 0.090 0.000 0.908 197 L HN -0.015 nan 8.230 nan 0.000 0.437 198 A N -0.224 122.302 122.820 -0.489 0.000 1.930 198 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 198 A C 2.331 179.399 177.584 -0.860 0.000 1.175 198 A CA 1.298 52.772 52.037 -0.938 0.000 0.627 198 A CB -0.661 17.233 19.000 -1.843 0.000 0.815 198 A HN 0.166 nan 8.150 nan 0.000 0.443 199 V N -0.360 119.133 119.914 -0.702 0.000 2.392 199 V HA -0.213 3.907 4.120 -0.000 0.000 0.249 199 V C 2.331 178.391 176.094 -0.056 0.000 1.059 199 V CA 1.900 64.053 62.300 -0.245 0.000 1.051 199 V CB -0.643 31.046 31.823 -0.224 0.000 0.658 199 V HN 0.557 nan 8.190 nan 0.000 0.455 200 L N 0.484 121.675 121.223 -0.053 0.000 2.610 200 L HA 0.152 4.491 4.340 -0.000 0.000 0.232 200 L C 1.183 178.055 176.870 0.003 0.000 1.149 200 L CA 1.234 56.078 54.840 0.006 0.000 0.872 200 L CB -1.589 40.469 42.059 -0.001 0.000 0.992 200 L HN 0.639 nan 8.230 nan 0.000 0.447 201 N N -1.679 116.998 118.700 -0.038 0.000 2.747 201 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 201 N C 0.614 176.140 175.510 0.028 0.000 1.107 201 N CA 0.436 53.481 53.050 -0.009 0.000 0.707 201 N CB -0.675 37.839 38.487 0.044 0.000 1.054 201 N HN 0.330 nan 8.380 nan 0.000 0.555 202 V N -3.446 116.504 119.914 0.061 0.000 3.432 202 V HA 0.425 4.545 4.120 -0.000 0.000 0.298 202 V C -0.275 176.082 176.094 0.438 0.000 1.464 202 V CA 0.029 62.442 62.300 0.189 0.000 1.046 202 V CB 0.039 31.955 31.823 0.156 0.000 0.887 202 V HN 0.329 nan 8.190 nan 0.000 0.441 203 Y N 0.369 120.677 120.300 0.014 0.000 2.479 203 Y HA 0.682 5.232 4.550 -0.001 0.000 0.338 203 Y C -0.030 175.450 175.900 -0.699 0.000 1.055 203 Y CA -0.758 57.206 58.100 -0.228 0.000 1.023 203 Y CB 2.163 40.612 38.460 -0.018 0.000 1.287 203 Y HN 0.075 nan 8.280 nan 0.000 0.447 204 S N 4.106 118.929 115.700 -1.461 0.000 2.549 204 S HA 0.033 4.503 4.470 -0.000 0.000 0.279 204 S C 0.534 174.906 174.600 -0.380 0.000 1.321 204 S CA -0.246 57.333 58.200 -1.035 0.000 1.054 204 S CB 0.349 62.538 63.200 -1.686 0.000 0.899 204 S HN 0.846 nan 8.310 nan 0.000 0.497 205 W N 1.986 123.181 121.300 -0.176 0.000 2.387 205 W HA -0.038 4.622 4.660 -0.001 0.000 0.272 205 W C 1.929 178.473 176.519 0.041 0.000 1.224 205 W CA 0.176 57.502 57.345 -0.032 0.000 1.210 205 W CB 0.124 29.504 29.460 -0.134 0.000 1.125 205 W HN 0.690 nan 8.180 nan 0.000 0.572 206 E N -0.968 119.324 120.200 0.153 0.000 2.481 206 E HA 0.015 4.365 4.350 -0.000 0.000 0.195 206 E C 2.048 178.774 176.600 0.209 0.000 1.047 206 E CA 0.822 57.318 56.400 0.161 0.000 0.867 206 E CB -0.556 29.197 29.700 0.088 0.000 0.858 206 E HN 0.298 nan 8.360 nan 0.000 0.513 207 G N 1.148 110.075 108.800 0.211 0.000 3.233 207 G HA2 0.305 4.265 3.960 -0.000 0.000 0.227 207 G HA3 0.305 4.265 3.960 -0.000 0.000 0.227 207 G C 0.360 175.553 174.900 0.487 0.000 1.175 207 G CA -0.091 45.247 45.100 0.396 0.000 0.781 207 G HN 0.141 nan 8.290 nan 0.000 0.542 208 L N -3.784 117.658 121.223 0.364 0.000 2.371 208 L HA 0.607 4.947 4.340 -0.000 0.000 0.262 208 L C -0.747 176.210 176.870 0.145 0.000 1.006 208 L CA -1.580 53.410 54.840 0.250 0.000 0.818 208 L CB 0.904 43.103 42.059 0.233 0.000 1.354 208 L HN -0.308 nan 8.230 nan 0.000 0.415 209 N N 0.535 119.216 118.700 -0.032 0.000 2.454 209 N HA 0.039 4.779 4.740 -0.000 0.000 0.254 209 N C -0.067 175.287 175.510 -0.261 0.000 1.228 209 N CA 0.086 52.961 53.050 -0.291 0.000 0.900 209 N CB 0.999 38.964 38.487 -0.869 0.000 1.089 209 N HN 0.894 nan 8.380 nan 0.000 0.449 210 T N 1.300 115.731 114.554 -0.206 0.000 2.928 210 T HA 0.064 4.414 4.350 -0.000 0.000 0.305 210 T C 1.448 175.976 174.700 -0.288 0.000 1.035 210 T CA -0.074 61.868 62.100 -0.265 0.000 1.145 210 T CB 0.092 69.009 68.868 0.082 0.000 0.963 210 T HN 0.326 nan 8.240 nan 0.000 0.545 211 L N 5.568 126.340 121.223 -0.751 0.000 2.611 211 L HA 0.358 4.697 4.340 -0.000 0.000 0.229 211 L C 0.981 177.885 176.870 0.057 0.000 1.137 211 L CA -0.200 54.507 54.840 -0.223 0.000 0.901 211 L CB -0.526 41.391 42.059 -0.236 0.000 1.098 211 L HN 0.925 nan 8.230 nan 0.000 0.456 212 F N 1.590 121.489 119.950 -0.085 0.000 2.594 212 F HA -0.240 4.287 4.527 -0.001 0.000 0.208 212 F C -1.308 174.515 175.800 0.038 0.000 1.032 212 F CA -0.754 57.272 58.000 0.044 0.000 0.877 212 F CB -0.153 38.884 39.000 0.062 0.000 0.814 212 F HN 0.118 nan 8.300 nan 0.000 0.844 213 P HA -0.197 nan 4.420 nan 0.000 0.219 213 P C 1.063 178.165 177.300 -0.330 0.000 1.146 213 P CA 1.743 64.743 63.100 -0.166 0.000 0.808 213 P CB 0.175 31.793 31.700 -0.137 0.000 0.779 214 E N -0.835 118.992 120.200 -0.621 0.000 2.265 214 E HA -0.100 4.250 4.350 -0.000 0.000 0.196 214 E C 2.050 178.038 176.600 -1.021 0.000 0.996 214 E CA 0.566 56.569 56.400 -0.661 0.000 0.832 214 E CB -0.905 28.493 29.700 -0.503 0.000 0.756 214 E HN 0.225 nan 8.360 nan 0.000 0.491 215 M N -0.988 117.707 119.600 -1.508 0.000 2.192 215 M HA -0.222 4.258 4.480 -0.000 0.000 0.259 215 M C 0.928 176.562 176.300 -1.111 0.000 1.071 215 M CA 1.592 55.919 55.300 -1.622 0.000 1.082 215 M CB -0.118 31.954 32.600 -0.879 0.000 1.373 215 M HN 0.227 nan 8.290 nan 0.000 0.408 216 W N 0.075 120.957 121.300 -0.697 0.000 2.519 216 W HA -0.046 4.614 4.660 -0.000 0.000 0.266 216 W C 1.752 178.126 176.519 -0.241 0.000 1.253 216 W CA 0.723 57.802 57.345 -0.444 0.000 1.274 216 W CB -0.429 28.834 29.460 -0.328 0.000 1.114 216 W HN 0.185 nan 8.180 nan 0.000 0.596 217 L N -1.165 120.003 121.223 -0.092 0.000 2.492 217 L HA 0.071 4.411 4.340 -0.000 0.000 0.223 217 L C 0.952 177.895 176.870 0.120 0.000 1.132 217 L CA -0.192 54.660 54.840 0.020 0.000 0.850 217 L CB -0.756 41.298 42.059 -0.009 0.000 0.966 217 L HN -0.192 nan 8.230 nan 0.000 0.454 218 F N 2.030 121.947 119.950 -0.054 0.000 2.626 218 F HA -0.005 4.522 4.527 -0.000 0.000 0.354 218 F C -1.330 174.361 175.800 -0.182 0.000 1.168 218 F CA -1.989 55.945 58.000 -0.111 0.000 1.368 218 F CB -0.113 38.839 39.000 -0.080 0.000 1.092 218 F HN -0.093 nan 8.300 nan 0.000 0.612 219 P HA 0.003 nan 4.420 nan 0.000 0.268 219 P C -0.426 176.381 177.300 -0.822 0.000 1.205 219 P CA -0.023 62.680 63.100 -0.661 0.000 0.771 219 P CB 0.674 31.575 31.700 -1.332 0.000 0.858 220 D N 1.646 121.591 120.400 -0.759 0.000 2.265 220 D HA -0.145 4.494 4.640 -0.000 0.000 0.208 220 D C 1.558 177.541 176.300 -0.528 0.000 0.977 220 D CA 1.211 54.611 54.000 -1.001 0.000 0.871 220 D CB -0.319 40.173 40.800 -0.513 0.000 0.925 220 D HN 0.624 nan 8.370 nan 0.000 0.485 221 W N 0.473 121.636 121.300 -0.229 0.000 2.905 221 W HA 0.416 5.076 4.660 -0.000 0.000 0.251 221 W C 0.364 176.827 176.519 -0.094 0.000 1.305 221 W CA -0.189 57.077 57.345 -0.132 0.000 1.465 221 W CB -0.539 28.863 29.460 -0.096 0.000 1.122 221 W HN -0.163 nan 8.180 nan 0.000 0.659 222 A N 3.087 125.696 122.820 -0.352 0.000 2.445 222 A HA 0.312 4.631 4.320 -0.000 0.000 0.242 222 A C -2.160 175.414 177.584 -0.016 0.000 1.075 222 A CA -1.109 50.779 52.037 -0.249 0.000 0.777 222 A CB -0.551 18.101 19.000 -0.580 0.000 1.013 222 A HN -0.078 nan 8.150 nan 0.000 0.493 223 P HA 0.304 nan 4.420 nan 0.000 0.268 223 P C 0.473 177.791 177.300 0.030 0.000 1.204 223 P CA 1.482 64.594 63.100 0.020 0.000 0.768 223 P CB 0.876 32.578 31.700 0.004 0.000 0.842 224 A N 1.634 124.463 122.820 0.014 0.000 2.899 224 A HA -0.249 4.071 4.320 -0.000 0.000 0.257 224 A C 0.792 178.355 177.584 -0.035 0.000 1.335 224 A CA 0.643 52.671 52.037 -0.014 0.000 0.924 224 A CB -2.861 16.134 19.000 -0.008 0.000 1.105 224 A HN 0.789 nan 8.150 nan 0.000 0.765 225 H N 0.560 119.573 119.070 -0.094 0.000 3.034 225 H HA 0.113 4.669 4.556 -0.000 0.000 0.324 225 H C -1.087 174.007 175.328 -0.389 0.000 1.015 225 H CA 0.046 55.969 56.048 -0.208 0.000 1.429 225 H CB 0.702 30.331 29.762 -0.222 0.000 1.429 225 H HN 0.164 nan 8.280 nan 0.000 0.585 226 P HA -0.231 nan 4.420 nan 0.000 0.216 226 P C 1.647 178.558 177.300 -0.649 0.000 1.154 226 P CA 2.480 64.968 63.100 -1.021 0.000 0.865 226 P CB -0.018 30.445 31.700 -2.061 0.000 0.789 227 S N -1.435 113.814 115.700 -0.751 0.000 2.465 227 S HA -0.163 4.307 4.470 -0.000 0.000 0.241 227 S C 1.698 176.162 174.600 -0.227 0.000 1.000 227 S CA 1.852 59.637 58.200 -0.691 0.000 0.964 227 S CB -1.894 60.622 63.200 -1.141 0.000 0.763 227 S HN 0.349 nan 8.310 nan 0.000 0.512 228 T N -0.800 113.665 114.554 -0.148 0.000 3.086 228 T HA 0.427 4.777 4.350 -0.000 0.000 0.250 228 T C 0.501 175.181 174.700 -0.034 0.000 1.074 228 T CA -0.491 61.572 62.100 -0.061 0.000 0.988 228 T CB -0.428 68.414 68.868 -0.044 0.000 0.988 228 T HN 0.338 nan 8.240 nan 0.000 0.530 229 L N 0.543 121.738 121.223 -0.046 0.000 2.416 229 L HA 0.487 4.826 4.340 -0.000 0.000 0.262 229 L C 0.391 177.362 176.870 0.168 0.000 1.093 229 L CA -1.458 53.399 54.840 0.028 0.000 0.801 229 L CB 0.413 42.459 42.059 -0.021 0.000 1.191 229 L HN 0.253 nan 8.230 nan 0.000 0.459 230 W N 1.440 122.753 121.300 0.021 0.000 2.314 230 W HA 0.011 4.671 4.660 -0.000 0.000 0.339 230 W C 1.325 177.904 176.519 0.099 0.000 1.293 230 W CA -0.987 56.415 57.345 0.095 0.000 1.288 230 W CB 0.525 30.075 29.460 0.151 0.000 1.186 230 W HN 0.786 nan 8.180 nan 0.000 0.566 231 C N 3.772 122.987 119.300 -0.141 0.000 2.413 231 C HA -0.239 4.221 4.460 -0.000 0.000 0.276 231 C C 2.580 177.137 174.990 -0.722 0.000 1.248 231 C CA 1.684 60.498 59.018 -0.341 0.000 1.742 231 C CB -1.442 26.098 27.740 -0.334 0.000 2.017 231 C HN 0.769 nan 8.230 nan 0.000 0.481 232 H N -0.269 118.012 119.070 -1.314 0.000 2.387 232 H HA -0.141 4.415 4.556 -0.001 0.000 0.299 232 H C 2.656 177.679 175.328 -0.508 0.000 1.090 232 H CA 1.971 57.340 56.048 -1.132 0.000 1.332 232 H CB -0.479 28.264 29.762 -1.698 0.000 1.386 232 H HN 0.713 nan 8.280 nan 0.000 0.516 233 C N 1.676 120.893 119.300 -0.139 0.000 2.473 233 C HA -0.111 4.349 4.460 -0.000 0.000 0.279 233 C C 3.097 178.258 174.990 0.285 0.000 1.250 233 C CA 1.262 60.443 59.018 0.272 0.000 1.713 233 C CB -0.679 27.296 27.740 0.391 0.000 2.066 233 C HN 0.672 nan 8.230 nan 0.000 0.474 234 R N 0.224 120.829 120.500 0.175 0.000 2.115 234 R HA -0.127 4.212 4.340 -0.000 0.000 0.230 234 R C 1.975 178.455 176.300 0.300 0.000 1.111 234 R CA 1.959 58.223 56.100 0.274 0.000 0.976 234 R CB -0.716 29.703 30.300 0.197 0.000 0.870 234 R HN 0.492 nan 8.270 nan 0.000 0.445 235 Q N 0.750 120.602 119.800 0.086 0.000 2.230 235 Q HA 0.031 4.371 4.340 -0.000 0.000 0.202 235 Q C 1.862 177.826 176.000 -0.058 0.000 0.963 235 Q CA 1.142 56.947 55.803 0.004 0.000 0.866 235 Q CB 0.283 28.892 28.738 -0.214 0.000 0.931 235 Q HN 0.271 nan 8.270 nan 0.000 0.452 236 V N -0.792 119.077 119.914 -0.075 0.000 2.379 236 V HA -0.166 3.954 4.120 -0.000 0.000 0.243 236 V C 1.304 177.218 176.094 -0.301 0.000 1.035 236 V CA 1.342 63.499 62.300 -0.237 0.000 1.035 236 V CB -0.470 31.153 31.823 -0.333 0.000 0.673 236 V HN 0.338 nan 8.190 nan 0.000 0.457 237 Y N -0.375 119.873 120.300 -0.085 0.000 2.439 237 Y HA -0.130 4.419 4.550 -0.000 0.000 0.292 237 Y C 2.102 177.986 175.900 -0.026 0.000 1.130 237 Y CA 1.181 59.249 58.100 -0.053 0.000 1.254 237 Y CB -0.220 38.294 38.460 0.091 0.000 1.000 237 Y HN 0.212 nan 8.280 nan 0.000 0.554 238 L N 1.948 123.241 121.223 0.116 0.000 1.970 238 L HA -0.125 4.214 4.340 -0.000 0.000 0.212 238 L C -0.587 176.148 176.870 -0.224 0.000 1.071 238 L CA 2.100 56.815 54.840 -0.208 0.000 0.751 238 L CB -1.762 40.126 42.059 -0.285 0.000 0.889 238 L HN -0.019 nan 8.230 nan 0.000 0.432 239 P HA -0.151 nan 4.420 nan 0.000 0.219 239 P C 2.014 179.260 177.300 -0.089 0.000 1.150 239 P CA 1.668 64.700 63.100 -0.113 0.000 0.814 239 P CB -0.135 31.494 31.700 -0.119 0.000 0.787 240 M N -0.184 119.242 119.600 -0.290 0.000 2.080 240 M HA -0.136 4.343 4.480 -0.000 0.000 0.260 240 M C 2.304 178.602 176.300 -0.004 0.000 1.068 240 M CA 1.938 56.974 55.300 -0.439 0.000 1.109 240 M CB -0.847 31.173 32.600 -0.967 0.000 1.342 240 M HN -0.071 nan 8.290 nan 0.000 0.405 241 S N -0.596 115.089 115.700 -0.024 0.000 2.368 241 S HA -0.178 4.292 4.470 -0.000 0.000 0.225 241 S C 1.660 176.264 174.600 0.006 0.000 1.030 241 S CA 1.150 59.367 58.200 0.028 0.000 0.999 241 S CB -0.486 62.704 63.200 -0.018 0.000 0.844 241 S HN 0.445 nan 8.310 nan 0.000 0.459 242 Y N 1.657 121.879 120.300 -0.131 0.000 2.097 242 Y HA -0.265 4.285 4.550 -0.001 0.000 0.282 242 Y C 2.604 178.405 175.900 -0.165 0.000 1.152 242 Y CA 1.115 59.129 58.100 -0.143 0.000 1.136 242 Y CB -0.897 37.489 38.460 -0.124 0.000 0.975 242 Y HN 0.264 nan 8.280 nan 0.000 0.498 243 C N -0.541 118.860 119.300 0.168 0.000 2.413 243 C HA -0.209 4.251 4.460 -0.000 0.000 0.277 243 C C 2.525 177.265 174.990 -0.416 0.000 1.265 243 C CA 1.309 60.325 59.018 -0.003 0.000 1.752 243 C CB -1.827 26.055 27.740 0.236 0.000 1.998 243 C HN 0.750 nan 8.230 nan 0.000 0.489 244 Y N 2.156 122.195 120.300 -0.435 0.000 2.145 244 Y HA -0.111 4.439 4.550 -0.000 0.000 0.286 244 Y C 2.502 177.985 175.900 -0.694 0.000 1.145 244 Y CA 1.664 59.300 58.100 -0.774 0.000 1.148 244 Y CB -0.561 37.763 38.460 -0.227 0.000 0.981 244 Y HN 0.216 nan 8.280 nan 0.000 0.507 245 A N -0.039 122.530 122.820 -0.419 0.000 1.892 245 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 245 A C 2.076 179.304 177.584 -0.593 0.000 1.188 245 A CA 2.659 54.405 52.037 -0.485 0.000 0.631 245 A CB -1.575 17.164 19.000 -0.433 0.000 0.822 245 A HN 0.662 nan 8.150 nan 0.000 0.447 246 V N -5.066 114.461 119.914 -0.645 0.000 3.633 246 V HA 0.242 4.362 4.120 -0.000 0.000 0.283 246 V C 0.509 176.285 176.094 -0.531 0.000 1.305 246 V CA 0.106 62.092 62.300 -0.523 0.000 1.153 246 V CB -0.836 30.681 31.823 -0.509 0.000 0.950 246 V HN 0.449 nan 8.190 nan 0.000 0.432 247 R N -0.055 119.947 120.500 -0.831 0.000 3.225 247 R HA -0.182 4.158 4.340 -0.000 0.000 0.245 247 R C 0.012 176.060 176.300 -0.421 0.000 0.928 247 R CA 0.644 56.130 56.100 -1.023 0.000 0.632 247 R CB -2.238 27.666 30.300 -0.660 0.000 1.038 247 R HN 0.704 nan 8.270 nan 0.000 0.461 248 L N 1.180 122.193 121.223 -0.351 0.000 2.584 248 L HA -0.018 4.322 4.340 -0.000 0.000 0.272 248 L C -0.034 177.001 176.870 0.275 0.000 1.195 248 L CA 0.814 55.614 54.840 -0.065 0.000 0.920 248 L CB 0.410 42.365 42.059 -0.173 0.000 1.173 248 L HN 0.245 nan 8.230 nan 0.000 0.489 249 S N 3.730 119.575 115.700 0.241 0.000 2.547 249 S HA 0.631 5.101 4.470 -0.000 0.000 0.281 249 S C -0.223 174.484 174.600 0.178 0.000 1.118 249 S CA -0.589 57.745 58.200 0.224 0.000 0.947 249 S CB 1.818 65.149 63.200 0.219 0.000 1.053 249 S HN 0.862 nan 8.310 nan 0.000 0.482 250 A N 2.024 124.925 122.820 0.136 0.000 2.555 250 A HA 0.543 4.863 4.320 -0.000 0.000 0.233 250 A C 0.801 178.459 177.584 0.123 0.000 1.060 250 A CA 0.163 52.277 52.037 0.129 0.000 0.759 250 A CB -0.358 18.728 19.000 0.143 0.000 0.995 250 A HN 1.252 nan 8.150 nan 0.000 0.506 251 A N 1.521 124.410 122.820 0.115 0.000 2.507 251 A HA 0.275 4.595 4.320 -0.000 0.000 0.235 251 A C 0.555 178.189 177.584 0.083 0.000 1.070 251 A CA -0.021 52.072 52.037 0.093 0.000 0.768 251 A CB -0.035 19.012 19.000 0.079 0.000 1.011 251 A HN 0.815 nan 8.150 nan 0.000 0.502 252 E N 1.105 121.346 120.200 0.068 0.000 2.346 252 E HA 0.061 4.411 4.350 -0.000 0.000 0.317 252 E C -0.510 176.121 176.600 0.051 0.000 1.404 252 E CA -0.069 56.365 56.400 0.057 0.000 1.534 252 E CB -0.415 29.314 29.700 0.048 0.000 1.309 252 E HN 0.760 nan 8.360 nan 0.000 0.499 253 D N -0.905 119.535 120.400 0.067 0.000 2.363 253 D HA -0.015 4.624 4.640 -0.000 0.000 0.240 253 D C -1.704 174.626 176.300 0.050 0.000 1.236 253 D CA -1.438 52.599 54.000 0.061 0.000 0.927 253 D CB 0.452 41.300 40.800 0.080 0.000 1.150 253 D HN -0.133 nan 8.370 nan 0.000 0.458 254 P HA -0.126 nan 4.420 nan 0.000 0.218 254 P C 1.421 178.733 177.300 0.020 0.000 1.148 254 P CA 0.583 63.699 63.100 0.026 0.000 0.822 254 P CB 0.003 31.718 31.700 0.025 0.000 0.784 255 L N -0.564 120.678 121.223 0.032 0.000 2.027 255 L HA -0.119 4.220 4.340 -0.000 0.000 0.206 255 L C 2.197 179.053 176.870 -0.024 0.000 1.074 255 L CA 1.784 56.623 54.840 -0.001 0.000 0.745 255 L CB -1.226 40.828 42.059 -0.008 0.000 0.898 255 L HN -0.204 nan 8.230 nan 0.000 0.433 256 V N -0.174 119.738 119.914 -0.004 0.000 2.324 256 V HA -0.382 3.738 4.120 -0.000 0.000 0.250 256 V C 2.598 178.662 176.094 -0.050 0.000 1.060 256 V CA 2.280 64.568 62.300 -0.020 0.000 1.042 256 V CB -0.725 31.112 31.823 0.024 0.000 0.650 256 V HN 0.597 nan 8.190 nan 0.000 0.450 257 Q N -0.499 119.278 119.800 -0.038 0.000 2.119 257 Q HA -0.136 4.204 4.340 -0.000 0.000 0.201 257 Q C 2.457 178.420 176.000 -0.061 0.000 0.972 257 Q CA 1.807 57.571 55.803 -0.065 0.000 0.847 257 Q CB -0.223 28.500 28.738 -0.025 0.000 0.903 257 Q HN 0.638 nan 8.270 nan 0.000 0.433 258 S N 1.071 116.757 115.700 -0.023 0.000 2.383 258 S HA -0.069 4.401 4.470 -0.000 0.000 0.227 258 S C 1.955 176.566 174.600 0.019 0.000 1.026 258 S CA 0.792 58.993 58.200 0.002 0.000 0.981 258 S CB -0.190 63.018 63.200 0.013 0.000 0.818 258 S HN 0.262 nan 8.310 nan 0.000 0.472 259 L N 1.063 122.292 121.223 0.010 0.000 2.083 259 L HA -0.101 4.238 4.340 -0.000 0.000 0.209 259 L C 2.678 179.572 176.870 0.041 0.000 1.083 259 L CA 1.186 56.057 54.840 0.052 0.000 0.752 259 L CB -0.433 41.644 42.059 0.031 0.000 0.899 259 L HN 0.242 nan 8.230 nan 0.000 0.433 260 R N -0.439 120.015 120.500 -0.076 0.000 2.127 260 R HA -0.161 4.179 4.340 -0.000 0.000 0.238 260 R C 2.106 178.419 176.300 0.021 0.000 1.134 260 R CA 0.990 56.954 56.100 -0.226 0.000 0.975 260 R CB -0.112 29.612 30.300 -0.959 0.000 0.865 260 R HN 0.411 nan 8.270 nan 0.000 0.447 261 Q N -0.096 119.721 119.800 0.028 0.000 2.424 261 Q HA -0.026 4.313 4.340 -0.000 0.000 0.204 261 Q C 1.079 177.168 176.000 0.149 0.000 0.933 261 Q CA 0.891 56.759 55.803 0.109 0.000 0.929 261 Q CB 0.599 29.377 28.738 0.067 0.000 1.037 261 Q HN 0.495 nan 8.270 nan 0.000 0.511 262 E N -0.073 120.207 120.200 0.133 0.000 2.307 262 E HA 0.106 4.456 4.350 -0.000 0.000 0.195 262 E C 1.621 178.271 176.600 0.083 0.000 0.975 262 E CA 0.064 56.540 56.400 0.127 0.000 0.878 262 E CB 0.416 30.226 29.700 0.182 0.000 0.845 262 E HN 0.165 nan 8.360 nan 0.000 0.488 263 L N 0.010 121.218 121.223 -0.026 0.000 2.446 263 L HA 0.103 4.442 4.340 -0.000 0.000 0.219 263 L C -0.019 176.558 176.870 -0.489 0.000 1.116 263 L CA 0.325 54.974 54.840 -0.319 0.000 0.844 263 L CB 0.199 41.926 42.059 -0.553 0.000 0.970 263 L HN 0.066 nan 8.230 nan 0.000 0.457 264 Y N -2.531 117.769 120.300 -0.000 0.000 2.485 264 Y HA 0.259 4.809 4.550 -0.001 0.000 0.345 264 Y C 0.858 176.541 175.900 -0.362 0.000 0.998 264 Y CA -0.724 57.295 58.100 -0.134 0.000 1.059 264 Y CB 1.722 40.198 38.460 0.026 0.000 1.234 264 Y HN -0.419 nan 8.280 nan 0.000 0.461 265 V N 0.447 120.221 119.914 -0.234 0.000 2.591 265 V HA -0.094 4.026 4.120 -0.000 0.000 0.249 265 V C 0.734 176.783 176.094 -0.074 0.000 1.053 265 V CA 1.286 63.435 62.300 -0.252 0.000 1.068 265 V CB -0.435 31.280 31.823 -0.180 0.000 0.689 265 V HN 0.758 nan 8.190 nan 0.000 0.462 266 E N 0.203 120.378 120.200 -0.041 0.000 2.239 266 E HA 0.193 4.543 4.350 -0.000 0.000 0.261 266 E C -0.740 175.842 176.600 -0.030 0.000 1.016 266 E CA -0.895 55.470 56.400 -0.058 0.000 0.882 266 E CB 0.792 30.417 29.700 -0.124 0.000 1.190 266 E HN 0.078 nan 8.360 nan 0.000 0.415 267 D N 0.671 121.046 120.400 -0.041 0.000 2.487 267 D HA -0.082 4.558 4.640 -0.000 0.000 0.243 267 D C 0.474 176.746 176.300 -0.047 0.000 1.154 267 D CA -0.062 53.937 54.000 -0.002 0.000 0.876 267 D CB 0.146 40.936 40.800 -0.017 0.000 1.161 267 D HN 0.488 nan 8.370 nan 0.000 0.478 268 F N 3.991 123.888 119.950 -0.089 0.000 2.134 268 F HA -0.164 4.362 4.527 -0.000 0.000 0.299 268 F C 2.021 177.749 175.800 -0.121 0.000 1.097 268 F CA 1.799 59.716 58.000 -0.139 0.000 1.264 268 F CB 0.129 39.130 39.000 0.002 0.000 1.001 268 F HN 0.474 nan 8.300 nan 0.000 0.479 269 A N -0.679 122.129 122.820 -0.020 0.000 2.119 269 A HA -0.071 4.248 4.320 -0.000 0.000 0.217 269 A C 2.130 179.610 177.584 -0.173 0.000 1.153 269 A CA 1.275 53.269 52.037 -0.073 0.000 0.692 269 A CB -1.060 17.979 19.000 0.064 0.000 0.799 269 A HN 0.472 nan 8.150 nan 0.000 0.458 270 S N -0.718 114.859 115.700 -0.206 0.000 2.575 270 S HA 0.252 4.721 4.470 -0.000 0.000 0.215 270 S C 0.501 174.882 174.600 -0.365 0.000 0.966 270 S CA -0.396 57.672 58.200 -0.220 0.000 0.911 270 S CB -0.578 62.532 63.200 -0.151 0.000 0.780 270 S HN 0.364 nan 8.310 nan 0.000 0.514 271 I N 3.207 123.411 120.570 -0.610 0.000 2.598 271 I HA 0.051 4.221 4.170 -0.000 0.000 0.284 271 I C 0.215 175.799 176.117 -0.887 0.000 1.140 271 I CA -0.019 60.725 61.300 -0.927 0.000 1.420 271 I CB 0.334 37.340 38.000 -1.658 0.000 1.387 271 I HN 0.121 nan 8.210 nan 0.000 0.553 272 D N 6.564 126.598 120.400 -0.609 0.000 2.435 272 D HA 0.022 4.662 4.640 -0.000 0.000 0.230 272 D C 0.617 176.698 176.300 -0.364 0.000 1.215 272 D CA -0.087 53.688 54.000 -0.376 0.000 0.947 272 D CB 0.242 40.911 40.800 -0.219 0.000 1.048 272 D HN 0.368 nan 8.370 nan 0.000 0.512 273 W N 2.728 123.919 121.300 -0.181 0.000 2.363 273 W HA -0.102 4.557 4.660 -0.001 0.000 0.296 273 W C 2.104 178.580 176.519 -0.073 0.000 1.212 273 W CA 0.085 57.320 57.345 -0.183 0.000 1.260 273 W CB -0.121 29.218 29.460 -0.203 0.000 1.131 273 W HN 0.384 nan 8.180 nan 0.000 0.530 274 L N -0.021 121.299 121.223 0.161 0.000 2.131 274 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 274 L C 2.510 179.431 176.870 0.086 0.000 1.092 274 L CA 1.129 56.045 54.840 0.127 0.000 0.759 274 L CB -1.089 41.027 42.059 0.095 0.000 0.903 274 L HN -0.002 nan 8.230 nan 0.000 0.435 275 A N -0.961 121.879 122.820 0.033 0.000 2.206 275 A HA -0.087 4.233 4.320 -0.000 0.000 0.211 275 A C 1.980 179.580 177.584 0.028 0.000 1.158 275 A CA 0.696 52.739 52.037 0.010 0.000 0.761 275 A CB -0.091 18.886 19.000 -0.038 0.000 0.801 275 A HN 0.370 nan 8.150 nan 0.000 0.473 276 Q N -0.451 119.392 119.800 0.072 0.000 2.356 276 Q HA 0.116 4.456 4.340 -0.000 0.000 0.205 276 Q C 1.646 177.763 176.000 0.195 0.000 0.901 276 Q CA 0.201 56.085 55.803 0.135 0.000 0.938 276 Q CB -0.204 28.646 28.738 0.186 0.000 1.081 276 Q HN 0.689 nan 8.270 nan 0.000 0.517 277 R N 1.204 121.803 120.500 0.165 0.000 2.096 277 R HA -0.082 4.258 4.340 -0.000 0.000 0.240 277 R C 0.853 177.191 176.300 0.062 0.000 1.139 277 R CA 1.341 57.520 56.100 0.132 0.000 0.952 277 R CB 0.025 30.379 30.300 0.089 0.000 0.854 277 R HN 0.224 nan 8.270 nan 0.000 0.436 278 N N 0.534 119.252 118.700 0.030 0.000 2.238 278 N HA -0.018 4.721 4.740 -0.000 0.000 0.222 278 N C -0.587 174.905 175.510 -0.030 0.000 1.133 278 N CA 0.047 53.072 53.050 -0.041 0.000 0.854 278 N CB 0.285 38.752 38.487 -0.033 0.000 1.041 278 N HN 0.068 nan 8.380 nan 0.000 0.510 279 N N 1.146 119.861 118.700 0.025 0.000 2.469 279 N HA 0.145 4.884 4.740 -0.000 0.000 0.239 279 N C -1.351 174.181 175.510 0.035 0.000 1.053 279 N CA -0.033 53.037 53.050 0.033 0.000 0.937 279 N CB 0.448 38.973 38.487 0.063 0.000 1.163 279 N HN -0.238 nan 8.380 nan 0.000 0.509 280 V N 2.158 122.068 119.914 -0.006 0.000 2.483 280 V HA 0.552 4.672 4.120 -0.000 0.000 0.297 280 V C 0.167 176.257 176.094 -0.006 0.000 1.027 280 V CA -1.470 60.823 62.300 -0.012 0.000 0.855 280 V CB 1.291 33.079 31.823 -0.059 0.000 0.995 280 V HN 0.738 nan 8.190 nan 0.000 0.424 281 A N 7.805 130.634 122.820 0.014 0.000 2.573 281 A HA 0.250 4.570 4.320 -0.000 0.000 0.250 281 A C -0.728 176.860 177.584 0.006 0.000 1.049 281 A CA -0.287 51.761 52.037 0.018 0.000 0.767 281 A CB -0.099 18.922 19.000 0.034 0.000 0.965 281 A HN 0.732 nan 8.150 nan 0.000 0.514 282 P HA -0.118 nan 4.420 nan 0.000 0.223 282 P C 0.343 177.648 177.300 0.008 0.000 1.151 282 P CA 1.024 64.124 63.100 -0.000 0.000 0.787 282 P CB 0.184 31.884 31.700 0.000 0.000 0.788 283 D N 0.600 121.009 120.400 0.016 0.000 2.264 283 D HA -0.133 4.507 4.640 -0.000 0.000 0.208 283 D C 1.708 178.028 176.300 0.033 0.000 0.966 283 D CA 0.992 55.007 54.000 0.025 0.000 0.864 283 D CB -0.278 40.538 40.800 0.027 0.000 0.933 283 D HN 0.546 nan 8.370 nan 0.000 0.499 284 E N -0.088 120.128 120.200 0.026 0.000 2.476 284 E HA 0.060 4.410 4.350 -0.000 0.000 0.196 284 E C 0.549 177.152 176.600 0.004 0.000 1.029 284 E CA -0.200 56.215 56.400 0.025 0.000 0.896 284 E CB 0.089 29.807 29.700 0.030 0.000 1.012 284 E HN 0.141 nan 8.360 nan 0.000 0.475 285 L N 2.596 123.822 121.223 0.006 0.000 2.356 285 L HA 0.168 4.508 4.340 -0.000 0.000 0.282 285 L C 0.304 177.190 176.870 0.026 0.000 1.132 285 L CA -0.367 54.469 54.840 -0.006 0.000 0.923 285 L CB 0.201 42.249 42.059 -0.018 0.000 1.278 285 L HN 0.197 nan 8.230 nan 0.000 0.436 286 Y N 2.916 123.175 120.300 -0.069 0.000 2.220 286 Y HA -0.060 4.489 4.550 -0.000 0.000 0.291 286 Y C 0.872 176.762 175.900 -0.017 0.000 1.129 286 Y CA 1.015 59.091 58.100 -0.040 0.000 1.161 286 Y CB 0.563 38.989 38.460 -0.056 0.000 0.997 286 Y HN 0.355 nan 8.280 nan 0.000 0.522 287 T N 3.828 118.424 114.554 0.071 0.000 3.060 287 T HA 0.307 4.657 4.350 -0.000 0.000 0.367 287 T C -2.736 172.007 174.700 0.073 0.000 1.229 287 T CA -1.436 60.692 62.100 0.047 0.000 1.104 287 T CB 1.218 70.169 68.868 0.139 0.000 1.083 287 T HN -0.062 nan 8.240 nan 0.000 0.524 288 P HA 0.077 nan 4.420 nan 0.000 0.268 288 P C 0.087 177.494 177.300 0.178 0.000 1.205 288 P CA -0.250 62.900 63.100 0.082 0.000 0.771 288 P CB 0.227 31.950 31.700 0.039 0.000 0.858 289 H N 0.328 119.419 119.070 0.035 0.000 3.125 289 H HA 0.050 4.606 4.556 -0.000 0.000 0.310 289 H C 1.053 176.388 175.328 0.012 0.000 0.980 289 H CA -0.278 55.790 56.048 0.033 0.000 1.422 289 H CB 0.431 30.240 29.762 0.079 0.000 1.432 289 H HN 0.501 nan 8.280 nan 0.000 0.577 290 S N 4.855 120.576 115.700 0.034 0.000 2.580 290 S HA -0.098 4.372 4.470 -0.000 0.000 0.266 290 S C 1.672 176.252 174.600 -0.034 0.000 1.354 290 S CA -0.700 57.481 58.200 -0.033 0.000 1.008 290 S CB 0.555 63.623 63.200 -0.219 0.000 0.898 290 S HN 0.906 nan 8.310 nan 0.000 0.555 291 W N 1.338 122.663 121.300 0.041 0.000 2.308 291 W HA -0.197 4.463 4.660 -0.000 0.000 0.301 291 W C 1.385 177.919 176.519 0.026 0.000 1.220 291 W CA 0.928 58.295 57.345 0.037 0.000 1.240 291 W CB -1.323 28.152 29.460 0.025 0.000 1.142 291 W HN 0.624 nan 8.180 nan 0.000 0.521 292 L N 1.325 121.877 121.223 -1.118 0.000 2.056 292 L HA -0.082 4.257 4.340 -0.000 0.000 0.207 292 L C 2.583 179.177 176.870 -0.460 0.000 1.078 292 L CA 1.741 55.952 54.840 -1.048 0.000 0.749 292 L CB -1.311 39.899 42.059 -1.414 0.000 0.901 292 L HN 0.019 nan 8.230 nan 0.000 0.433 293 L N -0.586 120.402 121.223 -0.393 0.000 2.093 293 L HA -0.112 4.227 4.340 -0.000 0.000 0.208 293 L C 2.636 179.436 176.870 -0.116 0.000 1.085 293 L CA 1.424 56.067 54.840 -0.329 0.000 0.755 293 L CB -0.740 41.083 42.059 -0.392 0.000 0.904 293 L HN 0.208 nan 8.230 nan 0.000 0.435 294 R N -0.665 119.851 120.500 0.027 0.000 2.094 294 R HA -0.143 4.196 4.340 -0.000 0.000 0.239 294 R C 2.192 178.563 176.300 0.118 0.000 1.137 294 R CA 1.794 57.984 56.100 0.151 0.000 0.943 294 R CB -1.252 29.145 30.300 0.162 0.000 0.850 294 R HN 0.334 nan 8.270 nan 0.000 0.433 295 V N 0.619 120.573 119.914 0.067 0.000 2.307 295 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 295 V C 2.601 178.710 176.094 0.024 0.000 1.045 295 V CA 1.433 63.773 62.300 0.068 0.000 1.024 295 V CB -0.448 31.429 31.823 0.089 0.000 0.651 295 V HN 0.047 nan 8.190 nan 0.000 0.449 296 V N -1.157 118.718 119.914 -0.065 0.000 2.287 296 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 296 V C 2.119 178.187 176.094 -0.043 0.000 1.053 296 V CA 2.287 64.514 62.300 -0.121 0.000 1.027 296 V CB -0.697 30.966 31.823 -0.267 0.000 0.646 296 V HN 0.566 nan 8.190 nan 0.000 0.447 297 Y N -0.314 119.967 120.300 -0.032 0.000 2.314 297 Y HA -0.125 4.425 4.550 -0.000 0.000 0.293 297 Y C 2.530 178.451 175.900 0.035 0.000 1.129 297 Y CA 0.502 58.602 58.100 0.000 0.000 1.201 297 Y CB -0.218 38.275 38.460 0.055 0.000 0.999 297 Y HN 0.259 nan 8.280 nan 0.000 0.541 298 A N 0.435 123.379 122.820 0.207 0.000 1.892 298 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 298 A C 2.116 179.776 177.584 0.126 0.000 1.188 298 A CA 1.745 53.870 52.037 0.145 0.000 0.631 298 A CB -1.037 18.034 19.000 0.118 0.000 0.822 298 A HN 0.488 nan 8.150 nan 0.000 0.447 299 L N -1.019 120.265 121.223 0.102 0.000 2.072 299 L HA -0.076 4.263 4.340 -0.000 0.000 0.205 299 L C 2.513 179.445 176.870 0.104 0.000 1.079 299 L CA 0.751 55.645 54.840 0.089 0.000 0.752 299 L CB -0.385 41.702 42.059 0.046 0.000 0.906 299 L HN 0.353 nan 8.230 nan 0.000 0.436 300 L N -0.433 120.826 121.223 0.059 0.000 2.156 300 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 300 L C 2.200 179.167 176.870 0.161 0.000 1.095 300 L CA 0.671 55.520 54.840 0.014 0.000 0.770 300 L CB -0.523 41.428 42.059 -0.181 0.000 0.914 300 L HN 0.347 nan 8.230 nan 0.000 0.439 301 N N 0.108 118.910 118.700 0.171 0.000 2.309 301 N HA -0.148 4.592 4.740 -0.000 0.000 0.182 301 N C 1.865 177.492 175.510 0.194 0.000 1.018 301 N CA 0.946 54.100 53.050 0.173 0.000 0.876 301 N CB -0.005 38.562 38.487 0.133 0.000 0.972 301 N HN 0.328 nan 8.380 nan 0.000 0.434 302 L N -0.291 121.052 121.223 0.201 0.000 2.044 302 L HA -0.175 4.165 4.340 -0.000 0.000 0.205 302 L C 2.231 179.297 176.870 0.326 0.000 1.075 302 L CA 1.228 56.209 54.840 0.234 0.000 0.747 302 L CB -0.449 41.738 42.059 0.212 0.000 0.903 302 L HN 0.128 nan 8.230 nan 0.000 0.435 303 Y N 1.117 121.552 120.300 0.225 0.000 2.151 303 Y HA -0.377 4.173 4.550 -0.000 0.000 0.284 303 Y C 2.524 178.610 175.900 0.310 0.000 1.166 303 Y CA 2.156 60.414 58.100 0.265 0.000 1.163 303 Y CB -0.018 38.564 38.460 0.203 0.000 0.974 303 Y HN 0.300 nan 8.280 nan 0.000 0.511 304 E N -0.347 119.967 120.200 0.190 0.000 2.070 304 E HA -0.325 4.024 4.350 -0.000 0.000 0.197 304 E C 2.036 178.698 176.600 0.103 0.000 1.004 304 E CA 2.174 58.668 56.400 0.156 0.000 0.805 304 E CB -0.658 29.187 29.700 0.241 0.000 0.744 304 E HN 0.724 nan 8.360 nan 0.000 0.451 305 H N -1.656 117.385 119.070 -0.049 0.000 2.352 305 H HA -0.083 4.472 4.556 -0.000 0.000 0.299 305 H C 0.680 175.763 175.328 -0.408 0.000 1.097 305 H CA 2.062 57.967 56.048 -0.238 0.000 1.311 305 H CB -0.007 29.525 29.762 -0.382 0.000 1.377 305 H HN 0.331 nan 8.280 nan 0.000 0.504 306 H N -0.811 118.292 119.070 0.055 0.000 2.503 306 H HA 0.143 4.698 4.556 -0.000 0.000 0.296 306 H C -0.447 174.700 175.328 -0.302 0.000 1.097 306 H CA -0.015 55.994 56.048 -0.065 0.000 1.055 306 H CB -0.432 29.348 29.762 0.029 0.000 1.580 306 H HN 0.548 nan 8.280 nan 0.000 0.546 307 H N -1.285 117.552 119.070 -0.389 0.000 2.707 307 H HA 0.191 4.747 4.556 -0.001 0.000 0.359 307 H C 0.488 175.722 175.328 -0.157 0.000 1.113 307 H CA -0.599 55.075 56.048 -0.624 0.000 1.422 307 H CB 0.936 30.423 29.762 -0.458 0.000 1.443 307 H HN 0.112 nan 8.280 nan 0.000 0.591 308 S N 2.546 118.308 115.700 0.103 0.000 2.443 308 S HA 0.241 4.711 4.470 -0.000 0.000 0.284 308 S C 1.466 176.183 174.600 0.195 0.000 1.206 308 S CA -0.310 57.987 58.200 0.162 0.000 1.074 308 S CB -0.557 62.820 63.200 0.295 0.000 0.963 308 S HN 0.888 nan 8.310 nan 0.000 0.501 309 A N 4.505 127.356 122.820 0.052 0.000 1.940 309 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 309 A C 1.859 179.519 177.584 0.127 0.000 1.176 309 A CA 2.211 54.302 52.037 0.090 0.000 0.631 309 A CB -1.223 17.780 19.000 0.006 0.000 0.814 309 A HN 1.102 nan 8.150 nan 0.000 0.446 310 H N -0.523 118.584 119.070 0.062 0.000 2.357 310 H HA 0.046 4.602 4.556 -0.001 0.000 0.301 310 H C 1.753 177.125 175.328 0.074 0.000 1.082 310 H CA 1.787 57.869 56.048 0.057 0.000 1.342 310 H CB -0.236 29.557 29.762 0.051 0.000 1.389 310 H HN 0.343 nan 8.280 nan 0.000 0.511 311 L N -0.113 121.149 121.223 0.064 0.000 2.093 311 L HA -0.129 4.210 4.340 -0.000 0.000 0.208 311 L C 2.803 179.666 176.870 -0.011 0.000 1.085 311 L CA 1.450 56.302 54.840 0.020 0.000 0.755 311 L CB -0.314 41.858 42.059 0.189 0.000 0.904 311 L HN 0.305 nan 8.230 nan 0.000 0.435 312 R N -0.100 120.434 120.500 0.057 0.000 2.081 312 R HA -0.233 4.107 4.340 -0.000 0.000 0.235 312 R C 2.314 178.564 176.300 -0.082 0.000 1.131 312 R CA 1.616 57.713 56.100 -0.006 0.000 0.960 312 R CB -0.199 30.116 30.300 0.025 0.000 0.856 312 R HN 0.327 nan 8.270 nan 0.000 0.436 313 Q N 0.080 119.829 119.800 -0.084 0.000 2.096 313 Q HA -0.253 4.087 4.340 -0.000 0.000 0.204 313 Q C 2.159 178.090 176.000 -0.115 0.000 0.982 313 Q CA 1.978 57.718 55.803 -0.106 0.000 0.850 313 Q CB -0.023 28.656 28.738 -0.098 0.000 0.901 313 Q HN 0.288 nan 8.270 nan 0.000 0.422 314 R N -0.644 119.759 120.500 -0.160 0.000 2.075 314 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 314 R C 2.121 178.385 176.300 -0.061 0.000 1.126 314 R CA 1.250 57.278 56.100 -0.119 0.000 0.963 314 R CB -0.238 29.963 30.300 -0.164 0.000 0.858 314 R HN 0.321 nan 8.270 nan 0.000 0.435 315 A N -0.051 122.723 122.820 -0.077 0.000 1.873 315 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 315 A C 2.225 179.756 177.584 -0.089 0.000 1.186 315 A CA 1.451 53.439 52.037 -0.081 0.000 0.616 315 A CB -0.658 18.272 19.000 -0.116 0.000 0.823 315 A HN 0.195 nan 8.150 nan 0.000 0.442 316 V N 0.177 120.022 119.914 -0.116 0.000 2.324 316 V HA -0.328 3.791 4.120 -0.000 0.000 0.250 316 V C 2.807 178.938 176.094 0.062 0.000 1.060 316 V CA 2.559 64.786 62.300 -0.122 0.000 1.042 316 V CB -0.742 30.938 31.823 -0.239 0.000 0.650 316 V HN 0.750 nan 8.190 nan 0.000 0.450 317 Q N 0.567 120.396 119.800 0.047 0.000 2.079 317 Q HA -0.199 4.141 4.340 -0.000 0.000 0.200 317 Q C 2.222 178.320 176.000 0.164 0.000 0.974 317 Q CA 2.117 57.993 55.803 0.122 0.000 0.840 317 Q CB -0.411 28.366 28.738 0.066 0.000 0.898 317 Q HN 0.617 nan 8.270 nan 0.000 0.430 318 K N -0.391 120.067 120.400 0.096 0.000 2.026 318 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 318 K C 2.046 178.677 176.600 0.052 0.000 1.048 318 K CA 1.260 57.613 56.287 0.110 0.000 0.929 318 K CB -0.233 32.304 32.500 0.063 0.000 0.713 318 K HN 0.288 nan 8.250 nan 0.000 0.439 319 L N 0.074 121.249 121.223 -0.080 0.000 1.990 319 L HA -0.265 4.075 4.340 -0.000 0.000 0.213 319 L C 2.539 179.396 176.870 -0.021 0.000 1.072 319 L CA 1.937 56.645 54.840 -0.220 0.000 0.755 319 L CB -0.818 41.137 42.059 -0.173 0.000 0.889 319 L HN 0.330 nan 8.230 nan 0.000 0.432 320 Y N 1.015 121.328 120.300 0.021 0.000 2.165 320 Y HA -0.305 4.245 4.550 -0.000 0.000 0.286 320 Y C 2.550 178.424 175.900 -0.045 0.000 1.155 320 Y CA 1.948 60.022 58.100 -0.045 0.000 1.164 320 Y CB -0.032 38.448 38.460 0.033 0.000 0.978 320 Y HN 0.211 nan 8.280 nan 0.000 0.513 321 E N -1.161 119.021 120.200 -0.030 0.000 2.110 321 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 321 E C 1.757 178.245 176.600 -0.187 0.000 0.988 321 E CA 1.443 57.777 56.400 -0.111 0.000 0.804 321 E CB -0.216 29.561 29.700 0.127 0.000 0.745 321 E HN 0.627 nan 8.360 nan 0.000 0.458 322 H N 0.085 119.059 119.070 -0.159 0.000 2.428 322 H HA 0.003 4.558 4.556 -0.001 0.000 0.296 322 H C 1.894 177.033 175.328 -0.315 0.000 1.062 322 H CA 0.960 56.902 56.048 -0.176 0.000 1.350 322 H CB 0.015 29.743 29.762 -0.056 0.000 1.403 322 H HN 0.127 nan 8.280 nan 0.000 0.533 323 I N -0.709 119.729 120.570 -0.220 0.000 2.252 323 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 323 I C 1.997 177.901 176.117 -0.355 0.000 1.102 323 I CA 0.685 61.832 61.300 -0.256 0.000 1.385 323 I CB -0.164 37.689 38.000 -0.244 0.000 1.064 323 I HN 0.083 nan 8.210 nan 0.000 0.414 324 V N 1.168 120.766 119.914 -0.525 0.000 2.343 324 V HA -0.310 3.810 4.120 -0.000 0.000 0.247 324 V C 2.750 178.494 176.094 -0.584 0.000 1.051 324 V CA 2.007 63.988 62.300 -0.532 0.000 1.036 324 V CB -1.012 30.436 31.823 -0.625 0.000 0.654 324 V HN 0.495 nan 8.190 nan 0.000 0.451 325 A N 0.198 122.530 122.820 -0.813 0.000 1.883 325 A HA -0.329 3.991 4.320 -0.000 0.000 0.217 325 A C 2.067 178.931 177.584 -1.200 0.000 1.186 325 A CA 2.370 53.604 52.037 -1.338 0.000 0.624 325 A CB -0.773 17.032 19.000 -1.993 0.000 0.822 325 A HN 0.614 nan 8.150 nan 0.000 0.444 326 D N -0.404 119.623 120.400 -0.622 0.000 2.117 326 D HA -0.152 4.487 4.640 -0.000 0.000 0.197 326 D C 1.265 177.461 176.300 -0.175 0.000 0.987 326 D CA 1.548 55.401 54.000 -0.245 0.000 0.829 326 D CB -0.188 40.612 40.800 0.000 0.000 0.961 326 D HN 0.365 nan 8.370 nan 0.000 0.460 327 D N -0.308 119.965 120.400 -0.211 0.000 2.123 327 D HA -0.124 4.516 4.640 -0.000 0.000 0.196 327 D C 2.217 178.405 176.300 -0.187 0.000 0.992 327 D CA 0.710 54.607 54.000 -0.172 0.000 0.833 327 D CB -0.145 40.560 40.800 -0.158 0.000 0.954 327 D HN 0.288 nan 8.370 nan 0.000 0.455 328 R N -0.299 120.026 120.500 -0.291 0.000 2.066 328 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 328 R C 2.147 178.443 176.300 -0.007 0.000 1.131 328 R CA 0.788 56.765 56.100 -0.204 0.000 0.955 328 R CB -0.355 29.751 30.300 -0.325 0.000 0.851 328 R HN 0.202 nan 8.270 nan 0.000 0.432 329 F N 0.392 120.245 119.950 -0.161 0.000 2.451 329 F HA -0.056 4.471 4.527 -0.001 0.000 0.299 329 F C 2.129 177.854 175.800 -0.127 0.000 1.101 329 F CA 1.174 59.073 58.000 -0.168 0.000 1.436 329 F CB -0.643 38.212 39.000 -0.241 0.000 1.074 329 F HN 0.104 nan 8.300 nan 0.000 0.553 330 T N -4.355 110.258 114.554 0.099 0.000 3.111 330 T HA 0.175 4.525 4.350 -0.000 0.000 0.284 330 T C 0.563 175.288 174.700 0.043 0.000 0.983 330 T CA -0.396 61.763 62.100 0.097 0.000 0.900 330 T CB -0.216 68.771 68.868 0.198 0.000 1.132 330 T HN 0.101 nan 8.240 nan 0.000 0.531 331 K N 1.748 122.145 120.400 -0.005 0.000 3.156 331 K HA -0.181 4.138 4.320 -0.000 0.000 0.266 331 K C 0.197 176.749 176.600 -0.080 0.000 0.966 331 K CA 0.490 56.752 56.287 -0.042 0.000 0.719 331 K CB -2.253 30.234 32.500 -0.023 0.000 1.333 331 K HN 0.525 nan 8.250 nan 0.000 0.468 332 S N -2.249 113.365 115.700 -0.142 0.000 3.561 332 S HA -0.225 4.245 4.470 -0.000 0.000 0.318 332 S C 0.979 175.544 174.600 -0.059 0.000 1.181 332 S CA 1.238 59.258 58.200 -0.299 0.000 0.916 332 S CB -1.144 61.689 63.200 -0.611 0.000 0.966 332 S HN 0.537 nan 8.310 nan 0.000 0.550 333 I N 0.030 120.648 120.570 0.080 0.000 3.035 333 I HA 0.041 4.211 4.170 -0.000 0.000 0.271 333 I C 1.520 177.814 176.117 0.295 0.000 1.190 333 I CA 0.740 62.181 61.300 0.236 0.000 1.472 333 I CB 0.055 38.152 38.000 0.162 0.000 1.116 333 I HN 0.492 nan 8.210 nan 0.000 0.443 334 S N 0.089 115.923 115.700 0.224 0.000 3.307 334 S HA -0.302 4.168 4.470 -0.000 0.000 0.634 334 S C 0.843 175.543 174.600 0.167 0.000 2.711 334 S CA 1.065 59.399 58.200 0.224 0.000 2.940 334 S CB -0.916 62.354 63.200 0.116 0.000 0.331 334 S HN 0.450 nan 8.310 nan 0.000 1.766 335 I N 0.688 121.127 120.570 -0.218 0.000 3.030 335 I HA 0.391 4.561 4.170 -0.000 0.000 0.270 335 I C 0.961 176.923 176.117 -0.257 0.000 1.211 335 I CA 1.204 62.068 61.300 -0.728 0.000 1.479 335 I CB -0.187 36.711 38.000 -1.838 0.000 1.105 335 I HN 0.751 nan 8.210 nan 0.000 0.447 336 G N -0.368 108.398 108.800 -0.057 0.000 2.550 336 G HA2 0.248 4.208 3.960 -0.000 0.000 0.293 336 G HA3 0.248 4.208 3.960 -0.000 0.000 0.293 336 G C -2.600 172.266 174.900 -0.057 0.000 1.402 336 G CA -0.310 44.850 45.100 0.100 0.000 0.784 336 G HN -0.256 nan 8.290 nan 0.000 0.482 337 P HA 0.003 nan 4.420 nan 0.000 0.217 337 P C 1.821 178.953 177.300 -0.280 0.000 1.151 337 P CA 0.870 63.598 63.100 -0.619 0.000 0.828 337 P CB 0.410 31.885 31.700 -0.374 0.000 0.788 338 I N 0.942 121.458 120.570 -0.091 0.000 2.133 338 I HA -0.224 3.946 4.170 -0.000 0.000 0.238 338 I C 2.820 178.915 176.117 -0.037 0.000 1.074 338 I CA 2.042 63.349 61.300 0.012 0.000 1.342 338 I CB -1.030 37.006 38.000 0.060 0.000 1.053 338 I HN 0.032 nan 8.210 nan 0.000 0.404 339 S N 0.993 116.637 115.700 -0.093 0.000 2.370 339 S HA -0.266 4.204 4.470 -0.000 0.000 0.226 339 S C 2.132 176.710 174.600 -0.036 0.000 1.033 339 S CA 1.199 59.341 58.200 -0.095 0.000 1.011 339 S CB -0.471 62.651 63.200 -0.130 0.000 0.852 339 S HN 0.312 nan 8.310 nan 0.000 0.457 340 K N 1.367 121.742 120.400 -0.042 0.000 2.032 340 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 340 K C 2.154 178.768 176.600 0.024 0.000 1.048 340 K CA 2.153 58.458 56.287 0.030 0.000 0.927 340 K CB -1.245 31.204 32.500 -0.086 0.000 0.712 340 K HN 0.509 nan 8.250 nan 0.000 0.441 341 T N 1.961 116.501 114.554 -0.023 0.000 2.708 341 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 341 T C 2.011 176.778 174.700 0.113 0.000 1.037 341 T CA 1.696 63.820 62.100 0.040 0.000 1.146 341 T CB -0.136 68.772 68.868 0.066 0.000 0.865 341 T HN 0.249 nan 8.240 nan 0.000 0.435 342 I N 1.360 122.012 120.570 0.137 0.000 2.439 342 I HA -0.125 4.045 4.170 -0.000 0.000 0.251 342 I C 2.298 178.421 176.117 0.011 0.000 1.139 342 I CA 0.734 62.099 61.300 0.109 0.000 1.438 342 I CB -0.520 37.475 38.000 -0.009 0.000 1.085 342 I HN 0.126 nan 8.210 nan 0.000 0.427 343 N N 1.245 119.926 118.700 -0.032 0.000 2.069 343 N HA -0.236 4.503 4.740 -0.000 0.000 0.191 343 N C 1.861 177.216 175.510 -0.258 0.000 1.031 343 N CA 1.559 54.569 53.050 -0.067 0.000 0.852 343 N CB -0.431 38.103 38.487 0.079 0.000 1.018 343 N HN 0.343 nan 8.380 nan 0.000 0.423 344 M N -0.020 119.245 119.600 -0.558 0.000 2.082 344 M HA -0.170 4.310 4.480 -0.000 0.000 0.258 344 M C 1.875 178.166 176.300 -0.016 0.000 1.069 344 M CA 1.446 56.306 55.300 -0.732 0.000 1.102 344 M CB -0.125 32.226 32.600 -0.415 0.000 1.336 344 M HN 0.179 nan 8.290 nan 0.000 0.404 345 L N 0.015 121.282 121.223 0.075 0.000 2.083 345 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 345 L C 2.088 179.119 176.870 0.268 0.000 1.083 345 L CA 1.531 56.499 54.840 0.213 0.000 0.752 345 L CB -0.710 41.465 42.059 0.193 0.000 0.899 345 L HN 0.218 nan 8.230 nan 0.000 0.433 346 V N 0.039 120.016 119.914 0.106 0.000 2.295 346 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 346 V C 2.778 178.935 176.094 0.106 0.000 1.049 346 V CA 1.719 64.022 62.300 0.006 0.000 1.024 346 V CB -0.801 30.883 31.823 -0.232 0.000 0.648 346 V HN 0.437 nan 8.190 nan 0.000 0.447 347 R N -1.087 119.500 120.500 0.144 0.000 2.115 347 R HA -0.179 4.160 4.340 -0.000 0.000 0.230 347 R C 1.902 178.327 176.300 0.208 0.000 1.111 347 R CA 1.482 57.715 56.100 0.221 0.000 0.976 347 R CB -1.129 29.350 30.300 0.298 0.000 0.870 347 R HN 0.740 nan 8.270 nan 0.000 0.445 348 W N 0.846 122.169 121.300 0.038 0.000 2.355 348 W HA -0.262 4.397 4.660 -0.001 0.000 0.309 348 W C 2.149 178.580 176.519 -0.148 0.000 1.206 348 W CA 1.362 58.523 57.345 -0.306 0.000 1.284 348 W CB -0.706 28.509 29.460 -0.409 0.000 1.145 348 W HN 0.149 nan 8.180 nan 0.000 0.502 349 Y N 0.178 120.419 120.300 -0.098 0.000 2.181 349 Y HA -0.227 4.323 4.550 -0.000 0.000 0.288 349 Y C 2.122 177.819 175.900 -0.339 0.000 1.146 349 Y CA 2.934 60.845 58.100 -0.315 0.000 1.164 349 Y CB -0.501 38.006 38.460 0.077 0.000 0.982 349 Y HN -0.128 nan 8.280 nan 0.000 0.515 350 V N -0.246 119.593 119.914 -0.126 0.000 2.403 350 V HA -0.146 3.974 4.120 -0.000 0.000 0.239 350 V C 1.437 177.394 176.094 -0.228 0.000 1.041 350 V CA 1.867 64.031 62.300 -0.228 0.000 1.051 350 V CB -0.484 31.172 31.823 -0.278 0.000 0.704 350 V HN 0.220 nan 8.190 nan 0.000 0.472 351 D N 0.242 120.583 120.400 -0.099 0.000 2.234 351 D HA 0.319 4.959 4.640 -0.000 0.000 0.205 351 D C 1.043 177.254 176.300 -0.147 0.000 0.962 351 D CA 1.288 55.254 54.000 -0.057 0.000 0.855 351 D CB -0.054 40.791 40.800 0.075 0.000 0.951 351 D HN 0.575 nan 8.370 nan 0.000 0.500 352 G N 0.167 108.790 108.800 -0.294 0.000 2.690 352 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.686 352 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.686 352 G C -2.060 172.641 174.900 -0.331 0.000 1.277 352 G CA -0.483 44.360 45.100 -0.428 0.000 0.799 352 G HN -0.096 nan 8.290 nan 0.000 0.613 353 P HA -0.001 nan 4.420 nan 0.000 0.222 353 P C 1.623 179.017 177.300 0.156 0.000 1.147 353 P CA 2.029 65.036 63.100 -0.154 0.000 0.790 353 P CB 0.073 31.762 31.700 -0.019 0.000 0.780 354 A N 0.062 122.914 122.820 0.053 0.000 2.208 354 A HA 0.110 4.430 4.320 -0.000 0.000 0.209 354 A C 1.242 178.882 177.584 0.094 0.000 1.161 354 A CA 0.175 52.260 52.037 0.079 0.000 0.782 354 A CB -0.917 18.096 19.000 0.023 0.000 0.816 354 A HN 0.350 nan 8.150 nan 0.000 0.477 355 S N -0.306 115.460 115.700 0.111 0.000 2.576 355 S HA 0.227 4.696 4.470 -0.000 0.000 0.276 355 S C 1.226 175.916 174.600 0.148 0.000 1.339 355 S CA 0.308 58.574 58.200 0.110 0.000 1.039 355 S CB 0.835 64.099 63.200 0.106 0.000 0.902 355 S HN 0.583 nan 8.310 nan 0.000 0.516 356 T N -0.032 114.579 114.554 0.095 0.000 2.867 356 T HA -0.035 4.315 4.350 -0.000 0.000 0.268 356 T C 1.922 176.673 174.700 0.085 0.000 1.057 356 T CA 0.840 62.985 62.100 0.075 0.000 1.136 356 T CB -0.833 68.059 68.868 0.040 0.000 0.874 356 T HN 0.854 nan 8.240 nan 0.000 0.466 357 A N 1.198 124.085 122.820 0.112 0.000 1.858 357 A HA 0.091 4.411 4.320 -0.000 0.000 0.216 357 A C 2.063 179.795 177.584 0.247 0.000 1.190 357 A CA 1.391 53.508 52.037 0.133 0.000 0.617 357 A CB -1.217 17.867 19.000 0.139 0.000 0.827 357 A HN 0.535 nan 8.150 nan 0.000 0.443 358 F N 0.581 120.628 119.950 0.161 0.000 2.134 358 F HA -0.229 4.298 4.527 -0.001 0.000 0.299 358 F C 2.545 178.453 175.800 0.181 0.000 1.097 358 F CA 2.163 60.288 58.000 0.208 0.000 1.264 358 F CB -0.180 38.933 39.000 0.188 0.000 1.001 358 F HN 0.300 nan 8.300 nan 0.000 0.479 359 Q N -0.033 119.811 119.800 0.073 0.000 2.124 359 Q HA -0.259 4.081 4.340 -0.000 0.000 0.202 359 Q C 2.178 178.135 176.000 -0.071 0.000 0.977 359 Q CA 1.853 57.629 55.803 -0.045 0.000 0.850 359 Q CB -0.346 28.422 28.738 0.049 0.000 0.901 359 Q HN 0.585 nan 8.270 nan 0.000 0.429 360 E N 0.044 120.226 120.200 -0.030 0.000 2.077 360 E HA -0.245 4.104 4.350 -0.000 0.000 0.193 360 E C 1.583 178.133 176.600 -0.084 0.000 0.989 360 E CA 1.057 57.422 56.400 -0.058 0.000 0.800 360 E CB 0.033 29.689 29.700 -0.074 0.000 0.746 360 E HN 0.474 nan 8.360 nan 0.000 0.452 361 H N -0.776 118.237 119.070 -0.095 0.000 2.319 361 H HA -0.133 4.423 4.556 -0.001 0.000 0.299 361 H C 2.119 177.353 175.328 -0.157 0.000 1.092 361 H CA 1.893 57.878 56.048 -0.105 0.000 1.302 361 H CB 0.125 29.823 29.762 -0.106 0.000 1.373 361 H HN 0.034 nan 8.280 nan 0.000 0.497 362 V N 0.278 120.083 119.914 -0.182 0.000 2.407 362 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 362 V C 2.436 178.490 176.094 -0.066 0.000 1.055 362 V CA 1.837 64.019 62.300 -0.195 0.000 1.049 362 V CB -0.533 31.087 31.823 -0.338 0.000 0.662 362 V HN 0.619 nan 8.190 nan 0.000 0.455 363 S N -0.033 115.636 115.700 -0.051 0.000 2.474 363 S HA -0.128 4.342 4.470 -0.000 0.000 0.235 363 S C 1.835 176.453 174.600 0.030 0.000 0.997 363 S CA 0.737 58.931 58.200 -0.011 0.000 0.949 363 S CB -0.256 62.934 63.200 -0.016 0.000 0.766 363 S HN 0.467 nan 8.310 nan 0.000 0.517 364 R N 0.347 120.876 120.500 0.049 0.000 2.334 364 R HA 0.435 4.775 4.340 -0.000 0.000 0.216 364 R C 1.666 178.087 176.300 0.202 0.000 0.905 364 R CA 0.028 56.193 56.100 0.109 0.000 1.064 364 R CB -0.646 29.717 30.300 0.105 0.000 1.046 364 R HN 0.514 nan 8.270 nan 0.000 0.508 365 I N 1.481 122.152 120.570 0.168 0.000 2.226 365 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 365 I C -0.753 175.533 176.117 0.282 0.000 1.100 365 I CA 1.296 62.724 61.300 0.213 0.000 1.374 365 I CB -1.019 37.056 38.000 0.126 0.000 1.057 365 I HN 0.011 nan 8.210 nan 0.000 0.413 366 P HA -0.133 nan 4.420 nan 0.000 0.220 366 P C 0.771 178.245 177.300 0.291 0.000 1.148 366 P CA 1.312 64.626 63.100 0.357 0.000 0.803 366 P CB -0.099 31.793 31.700 0.320 0.000 0.782 367 D N -1.920 118.603 120.400 0.205 0.000 2.190 367 D HA -0.187 4.453 4.640 -0.000 0.000 0.200 367 D C 1.047 177.370 176.300 0.039 0.000 0.992 367 D CA 1.299 55.351 54.000 0.087 0.000 0.854 367 D CB -0.668 40.117 40.800 -0.024 0.000 0.936 367 D HN 0.341 nan 8.370 nan 0.000 0.462 368 Y N -0.560 119.844 120.300 0.173 0.000 2.458 368 Y HA 0.310 4.860 4.550 -0.001 0.000 0.256 368 Y C 0.200 176.190 175.900 0.151 0.000 1.159 368 Y CA -0.243 57.948 58.100 0.152 0.000 1.261 368 Y CB 0.511 39.035 38.460 0.106 0.000 1.119 368 Y HN -0.158 nan 8.280 nan 0.000 0.524 369 L N 0.355 121.760 121.223 0.304 0.000 2.322 369 L HA 0.307 4.647 4.340 -0.000 0.000 0.281 369 L C -0.922 176.091 176.870 0.240 0.000 1.014 369 L CA -0.492 54.457 54.840 0.182 0.000 0.815 369 L CB 1.584 43.705 42.059 0.104 0.000 1.247 369 L HN 0.177 nan 8.230 nan 0.000 0.421 370 W N 5.368 126.593 121.300 -0.126 0.000 2.839 370 W HA 0.384 5.044 4.660 -0.000 0.000 0.334 370 W C -1.358 174.801 176.519 -0.599 0.000 1.064 370 W CA -0.941 56.320 57.345 -0.140 0.000 1.236 370 W CB 2.134 31.600 29.460 0.010 0.000 1.405 370 W HN 0.319 nan 8.180 nan 0.000 0.478 371 M N 5.410 123.891 119.600 -1.865 0.000 2.264 371 M HA 0.215 4.695 4.480 -0.000 0.000 0.340 371 M C 0.607 176.180 176.300 -1.211 0.000 1.420 371 M CA 0.251 54.481 55.300 -1.783 0.000 1.254 371 M CB -0.093 30.913 32.600 -2.658 0.000 1.575 371 M HN 0.559 nan 8.290 nan 0.000 0.452 372 G N 2.745 111.248 108.800 -0.494 0.000 2.613 372 G HA2 0.573 4.533 3.960 -0.000 0.000 0.303 372 G HA3 0.573 4.533 3.960 -0.000 0.000 0.303 372 G C 0.870 175.676 174.900 -0.156 0.000 1.312 372 G CA -0.741 44.309 45.100 -0.084 0.000 1.036 372 G HN 0.724 nan 8.290 nan 0.000 0.513 373 L N -0.191 121.007 121.223 -0.043 0.000 2.191 373 L HA -0.002 4.337 4.340 -0.000 0.000 0.212 373 L C 1.571 178.434 176.870 -0.012 0.000 1.103 373 L CA 1.389 56.204 54.840 -0.042 0.000 0.769 373 L CB -0.273 41.777 42.059 -0.015 0.000 0.908 373 L HN 0.612 nan 8.230 nan 0.000 0.438 374 D N -1.246 119.180 120.400 0.043 0.000 2.402 374 D HA 0.346 4.985 4.640 -0.000 0.000 0.216 374 D C 0.850 177.220 176.300 0.118 0.000 1.128 374 D CA 0.462 54.522 54.000 0.101 0.000 0.833 374 D CB 0.560 41.462 40.800 0.170 0.000 0.971 374 D HN 0.237 nan 8.370 nan 0.000 0.503 375 G N 0.255 109.034 108.800 -0.035 0.000 2.362 375 G HA2 -0.059 3.900 3.960 -0.000 0.000 0.517 375 G HA3 -0.059 3.900 3.960 -0.000 0.000 0.517 375 G C -1.231 173.477 174.900 -0.321 0.000 1.256 375 G CA -0.523 44.487 45.100 -0.150 0.000 1.027 375 G HN 0.326 nan 8.290 nan 0.000 0.491 376 M N 1.394 120.765 119.600 -0.383 0.000 2.108 376 M HA 0.588 5.068 4.480 -0.000 0.000 0.354 376 M C 0.375 176.369 176.300 -0.510 0.000 1.229 376 M CA -0.579 54.407 55.300 -0.523 0.000 1.081 376 M CB 0.473 32.730 32.600 -0.572 0.000 1.606 376 M HN 0.691 nan 8.290 nan 0.000 0.467 377 K N 4.542 124.590 120.400 -0.587 0.000 2.352 377 K HA 0.571 4.891 4.320 -0.000 0.000 0.240 377 K C -1.417 175.021 176.600 -0.270 0.000 1.017 377 K CA -1.039 54.840 56.287 -0.680 0.000 0.851 377 K CB 2.089 33.922 32.500 -1.113 0.000 1.261 377 K HN 0.792 nan 8.250 nan 0.000 0.451 378 M N 2.499 121.983 119.600 -0.194 0.000 2.144 378 M HA 0.116 4.595 4.480 -0.000 0.000 0.356 378 M C -0.440 175.847 176.300 -0.021 0.000 1.217 378 M CA -0.426 54.846 55.300 -0.047 0.000 1.087 378 M CB 1.271 33.835 32.600 -0.060 0.000 1.609 378 M HN 0.507 nan 8.290 nan 0.000 0.467 379 Q N 2.573 122.441 119.800 0.112 0.000 2.394 379 Q HA 0.156 4.495 4.340 -0.000 0.000 0.248 379 Q C 0.946 177.028 176.000 0.137 0.000 0.992 379 Q CA 0.361 56.239 55.803 0.125 0.000 0.888 379 Q CB 0.933 29.809 28.738 0.230 0.000 1.257 379 Q HN 1.045 nan 8.270 nan 0.000 0.462 380 G N 0.822 109.621 108.800 -0.002 0.000 2.650 380 G HA2 -0.055 3.904 3.960 -0.000 0.000 0.214 380 G HA3 -0.055 3.904 3.960 -0.000 0.000 0.214 380 G C 0.464 175.472 174.900 0.180 0.000 1.136 380 G CA 0.974 46.036 45.100 -0.063 0.000 0.789 380 G HN 0.648 nan 8.290 nan 0.000 0.536 381 T N -3.340 111.473 114.554 0.431 0.000 2.681 381 T HA 0.222 4.572 4.350 -0.000 0.000 0.296 381 T C 0.725 175.555 174.700 0.217 0.000 1.157 381 T CA -0.142 62.204 62.100 0.410 0.000 1.025 381 T CB 0.826 69.917 68.868 0.371 0.000 1.441 381 T HN 0.101 nan 8.240 nan 0.000 0.504 382 N N -0.178 118.425 118.700 -0.162 0.000 2.575 382 N HA 0.418 5.158 4.740 -0.000 0.000 0.192 382 N C 0.810 176.244 175.510 -0.127 0.000 1.200 382 N CA 0.096 52.856 53.050 -0.482 0.000 0.897 382 N CB -0.082 38.061 38.487 -0.572 0.000 0.990 382 N HN 1.197 nan 8.380 nan 0.000 0.449 383 G N -0.990 107.810 108.800 0.000 0.000 2.361 383 G HA2 0.066 4.026 3.960 -0.000 0.000 0.331 383 G HA3 0.066 4.026 3.960 -0.000 0.000 0.331 383 G C -0.770 174.001 174.900 -0.215 0.000 1.324 383 G CA -0.313 44.747 45.100 -0.067 0.000 0.984 383 G HN 0.422 nan 8.290 nan 0.000 0.586 384 S N -0.930 114.529 115.700 -0.401 0.000 2.525 384 S HA 0.375 4.845 4.470 -0.000 0.000 0.242 384 S C 1.026 175.422 174.600 -0.341 0.000 1.164 384 S CA 0.097 57.871 58.200 -0.709 0.000 1.154 384 S CB 1.177 63.938 63.200 -0.733 0.000 0.875 384 S HN 0.596 nan 8.310 nan 0.000 0.482 385 Q N 1.449 121.147 119.800 -0.170 0.000 2.020 385 Q HA 0.204 4.544 4.340 -0.000 0.000 0.198 385 Q C 1.746 177.816 176.000 0.118 0.000 0.974 385 Q CA 1.614 57.426 55.803 0.016 0.000 0.829 385 Q CB -0.474 28.209 28.738 -0.092 0.000 0.894 385 Q HN 0.615 nan 8.270 nan 0.000 0.433 386 I N -0.249 120.415 120.570 0.158 0.000 2.179 386 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 386 I C 2.142 178.284 176.117 0.041 0.000 1.088 386 I CA 1.042 62.470 61.300 0.214 0.000 1.357 386 I CB -0.417 37.692 38.000 0.182 0.000 1.051 386 I HN 0.453 nan 8.210 nan 0.000 0.409 387 W N 2.527 123.627 121.300 -0.334 0.000 2.315 387 W HA -0.290 4.369 4.660 -0.001 0.000 0.323 387 W C 2.062 178.424 176.519 -0.263 0.000 1.233 387 W CA 2.001 59.090 57.345 -0.426 0.000 1.267 387 W CB -0.313 28.692 29.460 -0.758 0.000 1.160 387 W HN 0.216 nan 8.180 nan 0.000 0.474 388 D N -0.388 120.011 120.400 -0.002 0.000 2.144 388 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 388 D C 2.118 178.421 176.300 0.005 0.000 0.984 388 D CA 2.241 56.282 54.000 0.068 0.000 0.834 388 D CB -0.694 40.229 40.800 0.204 0.000 0.955 388 D HN 0.139 nan 8.370 nan 0.000 0.465 389 T N 0.587 115.188 114.554 0.079 0.000 2.812 389 T HA -0.026 4.324 4.350 -0.000 0.000 0.264 389 T C 2.025 176.731 174.700 0.010 0.000 1.042 389 T CA 1.209 63.414 62.100 0.175 0.000 1.140 389 T CB -0.152 68.888 68.868 0.288 0.000 0.870 389 T HN 0.167 nan 8.240 nan 0.000 0.445 390 A N 1.280 124.040 122.820 -0.100 0.000 1.877 390 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 390 A C 1.958 179.425 177.584 -0.195 0.000 1.186 390 A CA 1.239 53.159 52.037 -0.195 0.000 0.620 390 A CB -0.892 17.922 19.000 -0.310 0.000 0.822 390 A HN 0.389 nan 8.150 nan 0.000 0.443 391 F N 0.203 119.912 119.950 -0.401 0.000 2.134 391 F HA -0.080 4.447 4.527 -0.001 0.000 0.299 391 F C 2.846 178.261 175.800 -0.642 0.000 1.097 391 F CA 0.307 58.009 58.000 -0.496 0.000 1.264 391 F CB -1.167 37.564 39.000 -0.447 0.000 1.001 391 F HN 0.291 nan 8.300 nan 0.000 0.479 392 A N 0.389 123.000 122.820 -0.348 0.000 1.877 392 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 392 A C 2.362 179.640 177.584 -0.510 0.000 1.186 392 A CA 1.645 53.343 52.037 -0.565 0.000 0.620 392 A CB -1.128 17.328 19.000 -0.907 0.000 0.822 392 A HN 0.332 nan 8.150 nan 0.000 0.443 393 I N -0.376 119.992 120.570 -0.337 0.000 2.118 393 I HA -0.390 3.779 4.170 -0.000 0.000 0.241 393 I C 2.853 178.739 176.117 -0.386 0.000 1.070 393 I CA 1.979 63.131 61.300 -0.247 0.000 1.327 393 I CB -0.444 37.479 38.000 -0.129 0.000 1.034 393 I HN 0.465 nan 8.210 nan 0.000 0.405 394 Q N 0.189 119.667 119.800 -0.537 0.000 2.124 394 Q HA -0.178 4.161 4.340 -0.000 0.000 0.202 394 Q C 2.422 177.743 176.000 -1.132 0.000 0.977 394 Q CA 1.630 56.977 55.803 -0.759 0.000 0.850 394 Q CB -0.257 27.974 28.738 -0.845 0.000 0.901 394 Q HN 0.613 nan 8.270 nan 0.000 0.429 395 A N 0.912 122.952 122.820 -1.301 0.000 1.897 395 A HA -0.110 4.209 4.320 -0.000 0.000 0.215 395 A C 2.066 179.326 177.584 -0.541 0.000 1.181 395 A CA 0.862 52.231 52.037 -1.112 0.000 0.620 395 A CB -0.553 17.949 19.000 -0.830 0.000 0.821 395 A HN 0.247 nan 8.150 nan 0.000 0.443 396 L N -0.511 120.459 121.223 -0.422 0.000 2.046 396 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 396 L C 2.570 179.381 176.870 -0.099 0.000 1.077 396 L CA 1.129 55.837 54.840 -0.221 0.000 0.747 396 L CB -0.751 41.197 42.059 -0.187 0.000 0.896 396 L HN 0.374 nan 8.230 nan 0.000 0.432 397 L N -0.468 120.654 121.223 -0.168 0.000 2.046 397 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 397 L C 2.500 179.364 176.870 -0.011 0.000 1.077 397 L CA 1.269 56.043 54.840 -0.110 0.000 0.747 397 L CB -0.531 41.346 42.059 -0.303 0.000 0.896 397 L HN 0.308 nan 8.230 nan 0.000 0.432 398 E N 0.095 120.226 120.200 -0.115 0.000 2.268 398 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 398 E C 1.897 178.554 176.600 0.096 0.000 0.995 398 E CA 0.928 57.337 56.400 0.015 0.000 0.836 398 E CB 0.045 29.779 29.700 0.057 0.000 0.763 398 E HN 0.466 nan 8.360 nan 0.000 0.491 399 A N -0.062 122.795 122.820 0.062 0.000 2.275 399 A HA 0.277 4.597 4.320 -0.000 0.000 0.212 399 A C 1.494 179.190 177.584 0.187 0.000 1.201 399 A CA 0.712 52.821 52.037 0.119 0.000 0.843 399 A CB -0.041 18.992 19.000 0.056 0.000 0.873 399 A HN 0.275 nan 8.150 nan 0.000 0.492 400 G N -1.558 107.376 108.800 0.223 0.000 2.147 400 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.244 400 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.244 400 G C 1.132 176.102 174.900 0.118 0.000 1.005 400 G CA 0.490 45.702 45.100 0.186 0.000 0.713 400 G HN 1.237 nan 8.290 nan 0.000 0.515 401 G N 0.436 109.370 108.800 0.225 0.000 2.470 401 G HA2 -0.080 3.879 3.960 -0.000 0.000 0.220 401 G HA3 -0.080 3.879 3.960 -0.000 0.000 0.220 401 G C 1.353 176.406 174.900 0.255 0.000 1.121 401 G CA 1.552 46.845 45.100 0.323 0.000 0.766 401 G HN 1.012 nan 8.290 nan 0.000 0.553 402 H N -0.879 118.187 119.070 -0.007 0.000 2.559 402 H HA 0.063 4.619 4.556 -0.000 0.000 0.273 402 H C 0.854 176.078 175.328 -0.175 0.000 1.000 402 H CA 0.882 56.865 56.048 -0.109 0.000 1.195 402 H CB -0.313 29.325 29.762 -0.206 0.000 1.368 402 H HN 0.401 nan 8.280 nan 0.000 0.592 403 H N 0.757 119.691 119.070 -0.227 0.000 2.520 403 H HA 0.323 4.878 4.556 -0.001 0.000 0.284 403 H C 0.146 175.442 175.328 -0.054 0.000 1.037 403 H CA -0.184 55.778 56.048 -0.143 0.000 1.168 403 H CB 0.789 30.434 29.762 -0.196 0.000 1.497 403 H HN 0.132 nan 8.280 nan 0.000 0.547 404 R N 1.500 122.026 120.500 0.043 0.000 2.246 404 R HA 0.192 4.531 4.340 -0.000 0.000 0.332 404 R C -1.984 174.247 176.300 -0.115 0.000 0.974 404 R CA -1.694 54.358 56.100 -0.080 0.000 0.837 404 R CB 1.424 31.596 30.300 -0.213 0.000 1.145 404 R HN 0.057 nan 8.270 nan 0.000 0.467 405 P HA -0.176 nan 4.420 nan 0.000 0.220 405 P C 1.051 178.276 177.300 -0.126 0.000 1.148 405 P CA 0.981 64.019 63.100 -0.103 0.000 0.803 405 P CB 0.322 31.971 31.700 -0.086 0.000 0.782 406 E N -0.752 119.307 120.200 -0.235 0.000 2.418 406 E HA -0.122 4.227 4.350 -0.000 0.000 0.197 406 E C 0.664 177.221 176.600 -0.072 0.000 1.026 406 E CA 1.046 57.314 56.400 -0.221 0.000 0.862 406 E CB -0.730 28.778 29.700 -0.320 0.000 0.799 406 E HN 0.242 nan 8.360 nan 0.000 0.518 407 F N 1.707 121.662 119.950 0.009 0.000 2.695 407 F HA 0.201 4.728 4.527 -0.000 0.000 0.303 407 F C 2.227 178.035 175.800 0.014 0.000 1.091 407 F CA -0.134 57.879 58.000 0.020 0.000 1.300 407 F CB -0.062 38.962 39.000 0.040 0.000 1.071 407 F HN 0.022 nan 8.300 nan 0.000 0.578 408 S N -1.450 114.326 115.700 0.126 0.000 2.383 408 S HA -0.177 4.293 4.470 -0.000 0.000 0.227 408 S C 2.309 176.941 174.600 0.053 0.000 1.026 408 S CA 1.273 59.509 58.200 0.060 0.000 0.981 408 S CB -0.709 62.458 63.200 -0.055 0.000 0.818 408 S HN 0.278 nan 8.310 nan 0.000 0.472 409 S N 0.732 116.458 115.700 0.044 0.000 2.368 409 S HA -0.158 4.311 4.470 -0.000 0.000 0.224 409 S C 2.209 176.827 174.600 0.030 0.000 1.029 409 S CA 1.152 59.370 58.200 0.029 0.000 0.988 409 S CB -1.115 62.093 63.200 0.015 0.000 0.838 409 S HN 0.767 nan 8.310 nan 0.000 0.462 410 C N 1.390 120.719 119.300 0.048 0.000 2.413 410 C HA -0.044 4.415 4.460 -0.000 0.000 0.276 410 C C 2.428 177.455 174.990 0.062 0.000 1.236 410 C CA 1.013 60.041 59.018 0.016 0.000 1.735 410 C CB -1.670 26.107 27.740 0.061 0.000 2.031 410 C HN 0.531 nan 8.230 nan 0.000 0.474 411 L N 1.120 122.410 121.223 0.111 0.000 2.046 411 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 411 L C 2.657 179.596 176.870 0.117 0.000 1.077 411 L CA 2.187 57.100 54.840 0.121 0.000 0.747 411 L CB -1.627 40.498 42.059 0.110 0.000 0.896 411 L HN 0.528 nan 8.230 nan 0.000 0.432 412 Q N -0.516 119.338 119.800 0.090 0.000 2.084 412 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 412 Q C 2.150 178.223 176.000 0.121 0.000 0.978 412 Q CA 1.654 57.513 55.803 0.094 0.000 0.844 412 Q CB -0.016 28.763 28.738 0.069 0.000 0.898 412 Q HN 0.127 nan 8.270 nan 0.000 0.426 413 K N -0.296 120.147 120.400 0.072 0.000 2.103 413 K HA 0.070 4.390 4.320 -0.000 0.000 0.204 413 K C 1.928 178.581 176.600 0.088 0.000 1.052 413 K CA 1.023 57.340 56.287 0.050 0.000 0.945 413 K CB -0.431 32.045 32.500 -0.040 0.000 0.722 413 K HN 0.310 nan 8.250 nan 0.000 0.443 414 A N 0.323 123.197 122.820 0.089 0.000 1.902 414 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 414 A C 2.075 179.791 177.584 0.220 0.000 1.181 414 A CA 2.022 54.164 52.037 0.173 0.000 0.623 414 A CB -0.789 18.364 19.000 0.255 0.000 0.818 414 A HN 0.466 nan 8.150 nan 0.000 0.443 415 H N -0.367 118.765 119.070 0.103 0.000 2.319 415 H HA -0.159 4.397 4.556 -0.001 0.000 0.299 415 H C 2.072 177.453 175.328 0.089 0.000 1.092 415 H CA 2.121 58.213 56.048 0.073 0.000 1.302 415 H CB -0.119 29.663 29.762 0.034 0.000 1.373 415 H HN 0.626 nan 8.280 nan 0.000 0.497 416 E N -0.670 119.657 120.200 0.213 0.000 2.085 416 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 416 E C 2.039 178.691 176.600 0.087 0.000 0.994 416 E CA 1.200 57.685 56.400 0.142 0.000 0.801 416 E CB -0.334 29.453 29.700 0.145 0.000 0.743 416 E HN 0.566 nan 8.360 nan 0.000 0.453 417 F N 1.206 121.163 119.950 0.012 0.000 2.095 417 F HA -0.215 4.312 4.527 -0.001 0.000 0.298 417 F C 1.957 177.766 175.800 0.014 0.000 1.104 417 F CA 1.484 59.491 58.000 0.012 0.000 1.232 417 F CB -0.080 38.940 39.000 0.033 0.000 0.987 417 F HN 0.009 nan 8.300 nan 0.000 0.475 418 L N -0.047 121.162 121.223 -0.024 0.000 2.056 418 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 418 L C 2.669 179.512 176.870 -0.045 0.000 1.078 418 L CA 1.587 56.391 54.840 -0.060 0.000 0.749 418 L CB -0.781 41.246 42.059 -0.052 0.000 0.901 418 L HN 0.141 nan 8.230 nan 0.000 0.433 419 R N 0.927 121.340 120.500 -0.146 0.000 2.083 419 R HA -0.179 4.160 4.340 -0.000 0.000 0.237 419 R C 2.190 178.415 176.300 -0.126 0.000 1.137 419 R CA 1.568 57.597 56.100 -0.118 0.000 0.951 419 R CB -0.251 29.988 30.300 -0.102 0.000 0.851 419 R HN 0.304 nan 8.270 nan 0.000 0.434 420 L N 0.208 121.336 121.223 -0.158 0.000 2.478 420 L HA 0.019 4.359 4.340 -0.000 0.000 0.223 420 L C 1.773 178.480 176.870 -0.270 0.000 1.140 420 L CA 0.495 55.227 54.840 -0.180 0.000 0.842 420 L CB 0.152 42.129 42.059 -0.136 0.000 0.953 420 L HN 0.171 nan 8.230 nan 0.000 0.452 421 S N -1.606 113.879 115.700 -0.358 0.000 2.517 421 S HA -0.014 4.456 4.470 -0.000 0.000 0.214 421 S C 0.841 175.231 174.600 -0.349 0.000 0.991 421 S CA -0.125 57.845 58.200 -0.382 0.000 0.906 421 S CB 0.039 62.895 63.200 -0.574 0.000 0.789 421 S HN 0.373 nan 8.310 nan 0.000 0.513 422 Q N 2.124 121.658 119.800 -0.445 0.000 2.330 422 Q HA 0.129 4.469 4.340 -0.000 0.000 0.279 422 Q C -0.808 174.880 176.000 -0.520 0.000 1.024 422 Q CA 0.045 55.338 55.803 -0.850 0.000 0.900 422 Q CB 0.566 28.868 28.738 -0.727 0.000 1.221 422 Q HN 0.062 nan 8.270 nan 0.000 0.396 423 V N 7.983 127.582 119.914 -0.525 0.000 2.470 423 V HA 0.058 4.178 4.120 -0.000 0.000 0.276 423 V C -1.440 174.486 176.094 -0.279 0.000 1.040 423 V CA -0.878 61.223 62.300 -0.332 0.000 1.008 423 V CB 0.928 32.577 31.823 -0.290 0.000 0.990 423 V HN 0.881 nan 8.190 nan 0.000 0.477 424 P HA 0.059 nan 4.420 nan 0.000 0.230 424 P C -0.077 177.126 177.300 -0.162 0.000 1.168 424 P CA 0.731 63.725 63.100 -0.176 0.000 0.793 424 P CB 0.398 32.013 31.700 -0.142 0.000 0.851 425 D N -1.455 118.836 120.400 -0.181 0.000 2.570 425 D HA 0.169 4.809 4.640 -0.000 0.000 0.244 425 D C -0.808 175.345 176.300 -0.246 0.000 1.178 425 D CA -0.740 53.154 54.000 -0.178 0.000 0.881 425 D CB 0.397 41.111 40.800 -0.144 0.000 1.453 425 D HN -0.267 nan 8.370 nan 0.000 0.447 426 N N 0.539 119.083 118.700 -0.260 0.000 2.498 426 N HA 0.392 5.131 4.740 -0.000 0.000 0.287 426 N C -2.320 172.994 175.510 -0.326 0.000 1.097 426 N CA -0.937 51.867 53.050 -0.409 0.000 0.973 426 N CB 0.986 39.194 38.487 -0.466 0.000 1.153 426 N HN 0.268 nan 8.380 nan 0.000 0.472 427 P HA 0.231 nan 4.420 nan 0.000 0.275 427 P C -2.539 174.642 177.300 -0.198 0.000 1.228 427 P CA -1.107 61.704 63.100 -0.481 0.000 0.786 427 P CB -0.306 30.646 31.700 -1.246 0.000 0.927 428 P HA -0.027 nan 4.420 nan 0.000 0.268 428 P C -0.168 177.232 177.300 0.166 0.000 1.204 428 P CA 0.608 63.751 63.100 0.072 0.000 0.768 428 P CB 0.152 31.903 31.700 0.085 0.000 0.842 429 D N 0.678 121.148 120.400 0.117 0.000 2.945 429 D HA -0.236 4.404 4.640 -0.000 0.000 0.225 429 D C 0.969 177.347 176.300 0.130 0.000 1.158 429 D CA 1.036 55.090 54.000 0.090 0.000 0.805 429 D CB -1.862 39.046 40.800 0.181 0.000 1.098 429 D HN 0.650 nan 8.370 nan 0.000 0.426 430 Y N -0.495 119.812 120.300 0.011 0.000 2.274 430 Y HA -0.134 4.415 4.550 -0.001 0.000 0.290 430 Y C 2.316 178.243 175.900 0.045 0.000 1.145 430 Y CA 1.628 59.709 58.100 -0.032 0.000 1.203 430 Y CB -0.726 37.564 38.460 -0.282 0.000 0.984 430 Y HN 0.082 nan 8.280 nan 0.000 0.533 431 Q N 0.913 120.359 119.800 -0.590 0.000 2.167 431 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 431 Q C 2.231 178.137 176.000 -0.156 0.000 0.970 431 Q CA 1.591 57.179 55.803 -0.357 0.000 0.855 431 Q CB -0.160 28.296 28.738 -0.469 0.000 0.911 431 Q HN 0.592 nan 8.270 nan 0.000 0.438 432 K N -0.015 120.214 120.400 -0.284 0.000 2.147 432 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 432 K C 0.491 176.635 176.600 -0.760 0.000 1.049 432 K CA 1.120 57.113 56.287 -0.490 0.000 0.936 432 K CB 0.154 32.215 32.500 -0.732 0.000 0.722 432 K HN 0.244 nan 8.250 nan 0.000 0.446 433 Y N -0.919 119.233 120.300 -0.247 0.000 2.524 433 Y HA 0.110 4.659 4.550 -0.000 0.000 0.266 433 Y C -0.646 175.132 175.900 -0.203 0.000 1.180 433 Y CA -0.525 57.323 58.100 -0.419 0.000 1.244 433 Y CB 0.216 38.557 38.460 -0.199 0.000 1.125 433 Y HN 0.048 nan 8.280 nan 0.000 0.524 434 Y N -2.119 118.334 120.300 0.255 0.000 4.729 434 Y HA -0.270 4.280 4.550 -0.000 0.000 0.239 434 Y C 0.482 176.517 175.900 0.224 0.000 1.043 434 Y CA -0.847 57.388 58.100 0.224 0.000 2.045 434 Y CB -2.216 36.397 38.460 0.255 0.000 1.599 434 Y HN 0.057 nan 8.280 nan 0.000 0.655 435 R N 1.450 122.142 120.500 0.320 0.000 2.539 435 R HA 0.315 4.655 4.340 -0.000 0.000 0.275 435 R C 0.649 177.103 176.300 0.255 0.000 1.077 435 R CA -0.632 55.583 56.100 0.190 0.000 1.097 435 R CB 0.723 31.023 30.300 0.001 0.000 1.018 435 R HN 0.331 nan 8.270 nan 0.000 0.483 436 Q N 1.635 121.522 119.800 0.144 0.000 2.352 436 Q HA 0.085 4.425 4.340 -0.000 0.000 0.260 436 Q C -0.037 175.936 176.000 -0.045 0.000 0.976 436 Q CA 0.130 56.010 55.803 0.128 0.000 0.881 436 Q CB 0.741 29.564 28.738 0.141 0.000 1.235 436 Q HN 0.495 nan 8.270 nan 0.000 0.419 437 M N 4.625 124.214 119.600 -0.020 0.000 2.284 437 M HA -0.010 4.470 4.480 -0.000 0.000 0.351 437 M C 0.235 176.390 176.300 -0.242 0.000 1.443 437 M CA 0.912 56.047 55.300 -0.276 0.000 1.031 437 M CB 0.259 32.830 32.600 -0.049 0.000 1.893 437 M HN 0.861 nan 8.290 nan 0.000 0.456 438 R N 3.329 123.612 120.500 -0.363 0.000 2.487 438 R HA 0.237 4.576 4.340 -0.000 0.000 0.272 438 R C 0.101 176.257 176.300 -0.240 0.000 0.928 438 R CA -0.430 55.516 56.100 -0.257 0.000 1.077 438 R CB 0.086 30.211 30.300 -0.292 0.000 1.265 438 R HN 0.552 nan 8.270 nan 0.000 0.537 439 K N 1.643 121.892 120.400 -0.252 0.000 2.430 439 K HA 0.071 4.391 4.320 -0.000 0.000 0.280 439 K C 0.326 176.813 176.600 -0.188 0.000 1.063 439 K CA 1.430 57.588 56.287 -0.216 0.000 1.071 439 K CB 0.162 32.552 32.500 -0.183 0.000 0.899 439 K HN 0.481 nan 8.250 nan 0.000 0.473 440 G N 2.598 111.261 108.800 -0.228 0.000 2.175 440 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.244 440 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.244 440 G C 0.388 175.123 174.900 -0.274 0.000 0.982 440 G CA -0.105 44.852 45.100 -0.237 0.000 0.641 440 G HN 0.943 nan 8.290 nan 0.000 0.527 441 G N -0.827 107.820 108.800 -0.254 0.000 2.588 441 G HA2 0.639 4.599 3.960 -0.000 0.000 0.281 441 G HA3 0.639 4.599 3.960 -0.000 0.000 0.281 441 G C -0.641 174.050 174.900 -0.350 0.000 1.236 441 G CA -0.817 44.191 45.100 -0.153 0.000 0.969 441 G HN 0.394 nan 8.290 nan 0.000 0.504 442 F N -0.198 119.724 119.950 -0.046 0.000 2.556 442 F HA 0.425 4.952 4.527 -0.001 0.000 0.314 442 F C 0.852 176.666 175.800 0.023 0.000 1.106 442 F CA -0.758 57.224 58.000 -0.029 0.000 0.911 442 F CB 2.388 41.368 39.000 -0.033 0.000 1.190 442 F HN 0.598 nan 8.300 nan 0.000 0.448 443 S N 2.235 118.059 115.700 0.206 0.000 2.634 443 S HA 0.196 4.666 4.470 -0.000 0.000 0.261 443 S C 0.745 175.509 174.600 0.272 0.000 1.271 443 S CA -0.413 57.929 58.200 0.237 0.000 0.985 443 S CB 0.554 63.890 63.200 0.227 0.000 0.968 443 S HN 0.677 nan 8.310 nan 0.000 0.568 444 F N 1.192 121.206 119.950 0.108 0.000 2.206 444 F HA 0.005 4.532 4.527 -0.000 0.000 0.298 444 F C 2.146 178.006 175.800 0.099 0.000 1.090 444 F CA 1.609 59.654 58.000 0.075 0.000 1.323 444 F CB -0.230 38.748 39.000 -0.036 0.000 1.028 444 F HN 0.773 nan 8.300 nan 0.000 0.492 445 S N -1.207 114.609 115.700 0.193 0.000 2.696 445 S HA 0.285 4.754 4.470 -0.000 0.000 0.172 445 S C 0.709 175.353 174.600 0.073 0.000 0.767 445 S CA 0.369 58.613 58.200 0.073 0.000 0.856 445 S CB -0.315 62.965 63.200 0.134 0.000 0.782 445 S HN 0.332 nan 8.310 nan 0.000 0.582 446 T N -1.601 112.998 114.554 0.076 0.000 2.865 446 T HA 0.621 4.971 4.350 -0.000 0.000 0.294 446 T C 0.574 175.280 174.700 0.010 0.000 1.119 446 T CA -0.473 61.649 62.100 0.037 0.000 1.007 446 T CB 1.273 70.147 68.868 0.009 0.000 1.225 446 T HN 0.201 nan 8.240 nan 0.000 0.515 447 L N 0.848 122.034 121.223 -0.061 0.000 2.012 447 L HA 0.045 4.385 4.340 -0.000 0.000 0.210 447 L C 1.884 178.726 176.870 -0.047 0.000 1.073 447 L CA 2.152 56.939 54.840 -0.089 0.000 0.748 447 L CB -1.161 40.810 42.059 -0.147 0.000 0.891 447 L HN 0.769 nan 8.230 nan 0.000 0.431 448 D N -1.156 119.226 120.400 -0.030 0.000 2.182 448 D HA -0.227 4.413 4.640 -0.000 0.000 0.201 448 D C 2.399 178.719 176.300 0.032 0.000 0.986 448 D CA 1.335 55.329 54.000 -0.010 0.000 0.847 448 D CB -0.600 40.194 40.800 -0.009 0.000 0.942 448 D HN 0.582 nan 8.370 nan 0.000 0.467 449 C N -0.128 119.213 119.300 0.069 0.000 2.436 449 C HA 0.036 4.496 4.460 -0.000 0.000 0.277 449 C C 2.281 177.385 174.990 0.189 0.000 1.241 449 C CA 1.864 60.980 59.018 0.164 0.000 1.721 449 C CB -1.032 26.822 27.740 0.190 0.000 2.043 449 C HN 0.570 nan 8.230 nan 0.000 0.472 450 G N -1.644 107.222 108.800 0.110 0.000 2.184 450 G HA2 -0.329 3.630 3.960 -0.000 0.000 0.264 450 G HA3 -0.329 3.630 3.960 -0.000 0.000 0.264 450 G C -0.103 174.811 174.900 0.024 0.000 0.975 450 G CA 0.421 45.526 45.100 0.008 0.000 0.642 450 G HN 0.675 nan 8.290 nan 0.000 0.536 451 W N 1.733 123.075 121.300 0.071 0.000 2.497 451 W HA 0.589 5.248 4.660 -0.001 0.000 0.354 451 W C 1.092 177.735 176.519 0.206 0.000 1.111 451 W CA -0.681 56.748 57.345 0.141 0.000 1.510 451 W CB -0.102 29.449 29.460 0.151 0.000 1.466 451 W HN 0.394 nan 8.180 nan 0.000 0.409 452 I N 2.193 122.931 120.570 0.280 0.000 2.779 452 I HA 0.546 4.716 4.170 -0.000 0.000 0.285 452 I C -0.174 176.030 176.117 0.146 0.000 1.134 452 I CA -0.654 60.751 61.300 0.175 0.000 1.398 452 I CB 0.306 38.338 38.000 0.054 0.000 1.404 452 I HN 0.030 nan 8.210 nan 0.000 0.587 453 V N 3.828 123.754 119.914 0.019 0.000 2.876 453 V HA 0.387 4.507 4.120 -0.000 0.000 0.312 453 V C 1.015 177.083 176.094 -0.043 0.000 1.085 453 V CA 0.040 62.240 62.300 -0.167 0.000 0.945 453 V CB 1.313 32.891 31.823 -0.408 0.000 1.017 453 V HN 1.039 nan 8.190 nan 0.000 0.428 454 S N 1.729 117.403 115.700 -0.043 0.000 2.356 454 S HA -0.204 4.266 4.470 -0.000 0.000 0.223 454 S C 1.352 175.928 174.600 -0.041 0.000 1.032 454 S CA 1.863 60.058 58.200 -0.007 0.000 1.005 454 S CB -0.469 62.770 63.200 0.064 0.000 0.867 454 S HN 0.964 nan 8.310 nan 0.000 0.449 455 D N 1.133 121.510 120.400 -0.039 0.000 2.183 455 D HA -0.031 4.609 4.640 -0.000 0.000 0.203 455 D C 1.974 178.348 176.300 0.123 0.000 0.969 455 D CA 1.002 55.022 54.000 0.032 0.000 0.842 455 D CB -1.330 39.509 40.800 0.066 0.000 0.957 455 D HN 0.521 nan 8.370 nan 0.000 0.484 456 C N 0.381 119.770 119.300 0.149 0.000 2.440 456 C HA -0.035 4.425 4.460 -0.000 0.000 0.278 456 C C 2.825 177.839 174.990 0.039 0.000 1.295 456 C CA 1.171 60.298 59.018 0.183 0.000 1.738 456 C CB -1.117 26.768 27.740 0.241 0.000 1.987 456 C HN 0.423 nan 8.230 nan 0.000 0.492 457 T N 1.454 116.059 114.554 0.085 0.000 2.708 457 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 457 T C 2.176 176.856 174.700 -0.034 0.000 1.037 457 T CA 1.813 63.988 62.100 0.125 0.000 1.146 457 T CB -0.447 68.500 68.868 0.131 0.000 0.865 457 T HN 0.644 nan 8.240 nan 0.000 0.435 458 A N 1.786 124.573 122.820 -0.055 0.000 1.877 458 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 458 A C 2.321 179.847 177.584 -0.097 0.000 1.186 458 A CA 1.345 53.334 52.037 -0.081 0.000 0.620 458 A CB -0.388 18.557 19.000 -0.091 0.000 0.822 458 A HN 0.360 nan 8.150 nan 0.000 0.443 459 E N -0.063 120.070 120.200 -0.113 0.000 2.106 459 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 459 E C 2.315 178.760 176.600 -0.259 0.000 0.984 459 E CA 1.151 57.459 56.400 -0.153 0.000 0.806 459 E CB -0.622 28.926 29.700 -0.254 0.000 0.750 459 E HN 0.576 nan 8.360 nan 0.000 0.458 460 A N 1.778 124.346 122.820 -0.420 0.000 1.898 460 A HA -0.106 4.213 4.320 -0.000 0.000 0.216 460 A C 2.282 179.544 177.584 -0.536 0.000 1.181 460 A CA 0.832 52.444 52.037 -0.708 0.000 0.620 460 A CB -0.665 17.338 19.000 -1.661 0.000 0.819 460 A HN 0.211 nan 8.150 nan 0.000 0.442 461 L N -0.609 120.399 121.223 -0.359 0.000 1.994 461 L HA -0.206 4.133 4.340 -0.000 0.000 0.208 461 L C 2.580 179.431 176.870 -0.032 0.000 1.071 461 L CA 2.011 56.788 54.840 -0.106 0.000 0.745 461 L CB -0.446 41.596 42.059 -0.028 0.000 0.892 461 L HN 0.407 nan 8.230 nan 0.000 0.431 462 K N -0.471 119.897 120.400 -0.054 0.000 2.044 462 K HA -0.233 4.086 4.320 -0.000 0.000 0.210 462 K C 2.007 178.537 176.600 -0.117 0.000 1.049 462 K CA 1.666 57.915 56.287 -0.063 0.000 0.927 462 K CB -0.197 32.246 32.500 -0.095 0.000 0.713 462 K HN 0.438 nan 8.250 nan 0.000 0.443 463 A N 0.781 123.515 122.820 -0.143 0.000 1.877 463 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 463 A C 2.363 179.902 177.584 -0.075 0.000 1.186 463 A CA 1.567 53.518 52.037 -0.144 0.000 0.620 463 A CB -0.673 18.226 19.000 -0.169 0.000 0.822 463 A HN 0.109 nan 8.150 nan 0.000 0.443 464 V N 0.200 120.078 119.914 -0.061 0.000 2.261 464 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 464 V C 2.606 178.762 176.094 0.103 0.000 1.047 464 V CA 2.052 64.364 62.300 0.020 0.000 1.015 464 V CB -0.814 30.998 31.823 -0.019 0.000 0.642 464 V HN 0.577 nan 8.190 nan 0.000 0.446 465 L N -0.850 120.461 121.223 0.148 0.000 2.012 465 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 465 L C 2.446 179.479 176.870 0.271 0.000 1.073 465 L CA 1.622 56.633 54.840 0.285 0.000 0.748 465 L CB -0.616 41.739 42.059 0.493 0.000 0.891 465 L HN 0.297 nan 8.230 nan 0.000 0.431 466 L N -0.691 120.592 121.223 0.100 0.000 2.046 466 L HA -0.253 4.087 4.340 -0.000 0.000 0.208 466 L C 2.532 179.383 176.870 -0.032 0.000 1.077 466 L CA 1.243 56.072 54.840 -0.019 0.000 0.747 466 L CB -0.343 41.586 42.059 -0.216 0.000 0.896 466 L HN 0.257 nan 8.230 nan 0.000 0.432 467 L N -0.988 120.217 121.223 -0.030 0.000 2.056 467 L HA -0.237 4.103 4.340 -0.000 0.000 0.207 467 L C 2.630 179.456 176.870 -0.073 0.000 1.078 467 L CA 1.320 56.131 54.840 -0.049 0.000 0.749 467 L CB -0.330 41.751 42.059 0.036 0.000 0.901 467 L HN 0.339 nan 8.230 nan 0.000 0.433 468 Q N -0.818 118.941 119.800 -0.067 0.000 2.230 468 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 468 Q C 1.961 177.987 176.000 0.044 0.000 0.963 468 Q CA 1.016 56.740 55.803 -0.132 0.000 0.866 468 Q CB 0.068 28.698 28.738 -0.179 0.000 0.931 468 Q HN 0.489 nan 8.270 nan 0.000 0.452 469 E N 1.201 121.442 120.200 0.068 0.000 2.076 469 E HA -0.131 4.219 4.350 -0.000 0.000 0.190 469 E C 1.307 177.940 176.600 0.055 0.000 0.979 469 E CA 0.799 57.243 56.400 0.073 0.000 0.807 469 E CB 0.297 30.066 29.700 0.115 0.000 0.761 469 E HN 0.143 nan 8.360 nan 0.000 0.454 470 K N -0.889 119.517 120.400 0.009 0.000 2.352 470 K HA 0.155 4.475 4.320 -0.000 0.000 0.194 470 K C -0.187 176.438 176.600 0.041 0.000 1.038 470 K CA -0.068 56.210 56.287 -0.015 0.000 1.023 470 K CB 0.844 33.190 32.500 -0.257 0.000 0.840 470 K HN 0.051 nan 8.250 nan 0.000 0.519 471 C N 2.244 121.561 119.300 0.029 0.000 2.301 471 C HA 0.272 4.731 4.460 -0.000 0.000 0.323 471 C C -1.247 173.801 174.990 0.097 0.000 1.265 471 C CA -1.457 57.605 59.018 0.073 0.000 1.503 471 C CB 1.432 29.192 27.740 0.033 0.000 2.195 471 C HN 0.296 nan 8.230 nan 0.000 0.477 472 P HA -0.059 nan 4.420 nan 0.000 0.217 472 P C 0.863 178.170 177.300 0.010 0.000 1.154 472 P CA 1.446 64.579 63.100 0.054 0.000 0.841 472 P CB 0.178 31.881 31.700 0.006 0.000 0.790 473 H N -0.525 118.574 119.070 0.049 0.000 2.521 473 H HA 0.042 4.598 4.556 -0.001 0.000 0.286 473 H C 0.515 175.863 175.328 0.033 0.000 1.034 473 H CA 0.046 56.116 56.048 0.038 0.000 1.278 473 H CB -0.752 29.032 29.762 0.036 0.000 1.386 473 H HN -0.100 nan 8.280 nan 0.000 0.567 474 V N 2.642 122.627 119.914 0.119 0.000 2.458 474 V HA -0.043 4.076 4.120 -0.000 0.000 0.287 474 V C 0.556 176.704 176.094 0.091 0.000 1.009 474 V CA 0.446 62.755 62.300 0.015 0.000 1.091 474 V CB 0.362 32.061 31.823 -0.207 0.000 0.960 474 V HN 0.344 nan 8.190 nan 0.000 0.476 475 T N 4.230 118.828 114.554 0.074 0.000 2.927 475 T HA 0.415 4.765 4.350 -0.000 0.000 0.281 475 T C 0.160 174.946 174.700 0.145 0.000 0.998 475 T CA -0.552 61.608 62.100 0.099 0.000 1.019 475 T CB 0.803 69.713 68.868 0.069 0.000 1.061 475 T HN 0.730 nan 8.240 nan 0.000 0.518 476 E N 1.081 121.366 120.200 0.142 0.000 2.222 476 E HA -0.183 4.167 4.350 -0.000 0.000 0.189 476 E C -0.295 176.484 176.600 0.299 0.000 1.415 476 E CA 0.441 56.943 56.400 0.169 0.000 0.689 476 E CB -1.694 28.087 29.700 0.135 0.000 1.107 476 E HN 0.608 nan 8.360 nan 0.000 0.350 477 H N 0.350 119.483 119.070 0.106 0.000 2.929 477 H HA 0.076 4.631 4.556 -0.001 0.000 0.358 477 H C 1.035 176.481 175.328 0.196 0.000 1.111 477 H CA -0.189 55.970 56.048 0.186 0.000 1.409 477 H CB 0.581 30.407 29.762 0.106 0.000 1.373 477 H HN 0.265 nan 8.280 nan 0.000 0.610 478 I N 4.961 125.716 120.570 0.308 0.000 2.517 478 I HA -0.002 4.168 4.170 -0.000 0.000 0.285 478 I C -1.812 174.400 176.117 0.158 0.000 1.106 478 I CA -1.769 59.630 61.300 0.165 0.000 1.402 478 I CB 0.404 38.464 38.000 0.101 0.000 1.399 478 I HN 0.296 nan 8.210 nan 0.000 0.535 479 P HA -0.008 nan 4.420 nan 0.000 0.266 479 P C 0.659 177.992 177.300 0.056 0.000 1.195 479 P CA -0.156 62.994 63.100 0.084 0.000 0.768 479 P CB 0.522 32.248 31.700 0.044 0.000 0.838 480 R N 3.245 123.784 120.500 0.065 0.000 2.159 480 R HA -0.274 4.066 4.340 -0.000 0.000 0.252 480 R C 1.939 178.188 176.300 -0.086 0.000 1.144 480 R CA 2.404 58.502 56.100 -0.004 0.000 0.961 480 R CB -0.355 29.983 30.300 0.064 0.000 0.877 480 R HN 0.667 nan 8.270 nan 0.000 0.444 481 E N 0.126 120.298 120.200 -0.047 0.000 2.153 481 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 481 E C 1.718 178.273 176.600 -0.074 0.000 0.988 481 E CA 1.035 57.398 56.400 -0.062 0.000 0.811 481 E CB -0.197 29.485 29.700 -0.030 0.000 0.746 481 E HN 0.436 nan 8.360 nan 0.000 0.466 482 R N 0.353 120.819 120.500 -0.056 0.000 2.119 482 R HA 0.075 4.415 4.340 -0.000 0.000 0.222 482 R C 2.650 178.908 176.300 -0.069 0.000 1.088 482 R CA 0.698 56.760 56.100 -0.063 0.000 0.984 482 R CB -0.266 30.006 30.300 -0.047 0.000 0.884 482 R HN 0.272 nan 8.270 nan 0.000 0.447 483 L N 0.044 121.226 121.223 -0.067 0.000 2.046 483 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 483 L C 2.541 179.284 176.870 -0.211 0.000 1.077 483 L CA 1.109 55.898 54.840 -0.085 0.000 0.747 483 L CB -0.521 41.499 42.059 -0.064 0.000 0.896 483 L HN 0.234 nan 8.230 nan 0.000 0.432 484 C N -0.383 118.775 119.300 -0.236 0.000 2.435 484 C HA -0.132 4.328 4.460 -0.000 0.000 0.279 484 C C 2.373 177.276 174.990 -0.146 0.000 1.321 484 C CA 0.255 59.110 59.018 -0.272 0.000 1.752 484 C CB -0.846 26.695 27.740 -0.331 0.000 1.959 484 C HN 0.537 nan 8.230 nan 0.000 0.500 485 D N 1.229 121.558 120.400 -0.119 0.000 2.097 485 D HA -0.087 4.553 4.640 -0.000 0.000 0.195 485 D C 2.344 178.581 176.300 -0.106 0.000 0.989 485 D CA 1.782 55.724 54.000 -0.096 0.000 0.827 485 D CB -0.578 40.161 40.800 -0.102 0.000 0.966 485 D HN 0.464 nan 8.370 nan 0.000 0.456 486 A N 0.656 123.410 122.820 -0.109 0.000 1.883 486 A HA -0.183 4.136 4.320 -0.000 0.000 0.217 486 A C 2.563 180.070 177.584 -0.129 0.000 1.186 486 A CA 1.641 53.633 52.037 -0.075 0.000 0.624 486 A CB -0.902 18.103 19.000 0.007 0.000 0.822 486 A HN 0.160 nan 8.150 nan 0.000 0.444 487 V N -0.207 119.558 119.914 -0.249 0.000 2.343 487 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 487 V C 3.046 179.059 176.094 -0.136 0.000 1.051 487 V CA 1.991 64.110 62.300 -0.303 0.000 1.036 487 V CB -1.258 30.195 31.823 -0.616 0.000 0.654 487 V HN 0.643 nan 8.190 nan 0.000 0.451 488 A N -0.257 122.513 122.820 -0.083 0.000 1.902 488 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 488 A C 2.406 179.977 177.584 -0.021 0.000 1.181 488 A CA 2.003 54.022 52.037 -0.028 0.000 0.623 488 A CB -0.703 18.290 19.000 -0.013 0.000 0.818 488 A HN 0.331 nan 8.150 nan 0.000 0.443 489 V N 0.184 120.075 119.914 -0.038 0.000 2.282 489 V HA -0.307 3.813 4.120 -0.000 0.000 0.249 489 V C 2.589 178.696 176.094 0.021 0.000 1.057 489 V CA 2.196 64.485 62.300 -0.018 0.000 1.032 489 V CB -0.773 31.029 31.823 -0.034 0.000 0.645 489 V HN 0.580 nan 8.190 nan 0.000 0.447 490 L N -0.974 120.248 121.223 -0.002 0.000 2.027 490 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 490 L C 2.376 179.331 176.870 0.142 0.000 1.074 490 L CA 1.406 56.260 54.840 0.022 0.000 0.745 490 L CB -0.533 41.456 42.059 -0.117 0.000 0.898 490 L HN 0.278 nan 8.230 nan 0.000 0.433 491 L N -0.086 121.180 121.223 0.072 0.000 2.261 491 L HA -0.224 4.116 4.340 -0.000 0.000 0.216 491 L C 2.101 179.025 176.870 0.090 0.000 1.114 491 L CA 1.071 55.968 54.840 0.096 0.000 0.777 491 L CB -0.622 41.456 42.059 0.032 0.000 0.910 491 L HN 0.450 nan 8.230 nan 0.000 0.440 492 N N 0.103 118.848 118.700 0.076 0.000 2.461 492 N HA -0.006 4.734 4.740 -0.000 0.000 0.188 492 N C 1.127 176.685 175.510 0.079 0.000 1.134 492 N CA 0.180 53.268 53.050 0.063 0.000 0.878 492 N CB 0.298 38.815 38.487 0.049 0.000 0.972 492 N HN 0.384 nan 8.380 nan 0.000 0.456 493 M N 0.589 120.269 119.600 0.134 0.000 2.589 493 M HA 0.217 4.696 4.480 -0.000 0.000 0.344 493 M C -0.314 175.947 176.300 -0.064 0.000 1.168 493 M CA -0.323 55.054 55.300 0.128 0.000 0.956 493 M CB 0.811 33.568 32.600 0.261 0.000 1.370 493 M HN -0.123 nan 8.290 nan 0.000 0.518 494 R N 1.186 121.602 120.500 -0.141 0.000 2.679 494 R HA 0.306 4.646 4.340 -0.000 0.000 0.269 494 R C -0.162 175.941 176.300 -0.329 0.000 1.076 494 R CA 0.181 56.024 56.100 -0.428 0.000 1.160 494 R CB 0.506 30.686 30.300 -0.201 0.000 1.054 494 R HN 0.201 nan 8.270 nan 0.000 0.507 495 N N 0.853 119.317 118.700 -0.392 0.000 2.262 495 N HA 0.188 4.928 4.740 -0.000 0.000 0.295 495 N C -2.116 173.291 175.510 -0.171 0.000 1.161 495 N CA -1.506 51.400 53.050 -0.241 0.000 0.767 495 N CB 1.995 40.323 38.487 -0.264 0.000 1.499 495 N HN 0.216 nan 8.380 nan 0.000 0.476 496 P HA -0.164 nan 4.420 nan 0.000 0.216 496 P C 0.607 177.889 177.300 -0.030 0.000 1.150 496 P CA 1.418 64.488 63.100 -0.051 0.000 0.843 496 P CB 0.135 31.820 31.700 -0.025 0.000 0.787 497 D N -1.948 118.441 120.400 -0.019 0.000 2.363 497 D HA 0.033 4.673 4.640 -0.000 0.000 0.220 497 D C 1.440 177.786 176.300 0.077 0.000 0.994 497 D CA 0.914 54.959 54.000 0.076 0.000 0.890 497 D CB -0.992 39.922 40.800 0.190 0.000 0.906 497 D HN 0.254 nan 8.370 nan 0.000 0.530 498 G N -1.022 107.715 108.800 -0.104 0.000 2.176 498 G HA2 -0.149 3.810 3.960 -0.000 0.000 0.253 498 G HA3 -0.149 3.810 3.960 -0.000 0.000 0.253 498 G C 0.568 175.248 174.900 -0.366 0.000 0.979 498 G CA 0.149 45.166 45.100 -0.138 0.000 0.641 498 G HN 0.833 nan 8.290 nan 0.000 0.530 499 G N -0.979 107.331 108.800 -0.816 0.000 2.488 499 G HA2 0.678 4.638 3.960 -0.000 0.000 0.318 499 G HA3 0.678 4.638 3.960 -0.000 0.000 0.318 499 G C -0.777 173.585 174.900 -0.897 0.000 1.188 499 G CA -1.057 43.197 45.100 -1.409 0.000 0.944 499 G HN 0.263 nan 8.290 nan 0.000 0.495 500 F N 0.140 119.829 119.950 -0.434 0.000 2.469 500 F HA 0.628 5.154 4.527 -0.000 0.000 0.332 500 F C 0.852 176.629 175.800 -0.038 0.000 1.103 500 F CA -0.384 57.516 58.000 -0.166 0.000 0.979 500 F CB 2.166 41.108 39.000 -0.097 0.000 1.137 500 F HN 0.654 nan 8.300 nan 0.000 0.463 501 A N 1.455 124.369 122.820 0.156 0.000 2.621 501 A HA 0.566 4.886 4.320 -0.000 0.000 0.267 501 A C 1.052 178.811 177.584 0.293 0.000 1.506 501 A CA 0.474 52.663 52.037 0.254 0.000 0.873 501 A CB -0.157 18.953 19.000 0.184 0.000 1.577 501 A HN 0.780 nan 8.150 nan 0.000 0.536 502 T N -3.177 111.572 114.554 0.324 0.000 3.523 502 T HA 0.078 4.428 4.350 -0.000 0.000 0.216 502 T C 1.482 176.226 174.700 0.073 0.000 0.922 502 T CA 1.480 63.657 62.100 0.129 0.000 1.558 502 T CB -0.704 68.273 68.868 0.182 0.000 1.424 502 T HN 0.438 nan 8.240 nan 0.000 0.452 503 Y N 1.921 122.383 120.300 0.269 0.000 2.490 503 Y HA 0.391 4.941 4.550 -0.001 0.000 0.285 503 Y C 1.870 177.913 175.900 0.238 0.000 1.117 503 Y CA 0.139 58.390 58.100 0.251 0.000 1.262 503 Y CB 0.241 38.880 38.460 0.297 0.000 1.043 503 Y HN 0.476 nan 8.280 nan 0.000 0.553 504 E N -1.418 119.016 120.200 0.389 0.000 3.176 504 E HA 0.324 4.673 4.350 -0.000 0.000 0.127 504 E C -0.505 176.220 176.600 0.208 0.000 0.963 504 E CA -0.294 56.278 56.400 0.288 0.000 0.818 504 E CB 1.008 30.894 29.700 0.310 0.000 2.051 504 E HN -0.045 nan 8.360 nan 0.000 0.408 505 T N -1.210 113.439 114.554 0.158 0.000 2.888 505 T HA 0.440 4.789 4.350 -0.000 0.000 0.288 505 T C -0.559 174.179 174.700 0.064 0.000 1.063 505 T CA -0.935 61.212 62.100 0.079 0.000 1.010 505 T CB 1.500 70.388 68.868 0.033 0.000 1.214 505 T HN 0.277 nan 8.240 nan 0.000 0.533 506 K N 0.776 121.177 120.400 0.001 0.000 2.110 506 K HA 0.206 4.526 4.320 -0.000 0.000 0.260 506 K C 0.997 177.583 176.600 -0.022 0.000 1.126 506 K CA -0.336 55.929 56.287 -0.036 0.000 1.005 506 K CB 0.014 32.480 32.500 -0.057 0.000 1.336 506 K HN 0.497 nan 8.250 nan 0.000 0.369 507 R N 1.743 122.240 120.500 -0.006 0.000 2.275 507 R HA 0.080 4.419 4.340 -0.000 0.000 0.199 507 R C 0.777 177.067 176.300 -0.016 0.000 0.989 507 R CA 0.324 56.425 56.100 0.001 0.000 1.016 507 R CB 0.624 30.937 30.300 0.021 0.000 0.918 507 R HN 0.564 nan 8.270 nan 0.000 0.473 508 G N -0.699 108.075 108.800 -0.042 0.000 2.714 508 G HA2 0.530 4.490 3.960 -0.000 0.000 0.292 508 G HA3 0.530 4.490 3.960 -0.000 0.000 0.292 508 G C -0.766 174.117 174.900 -0.029 0.000 1.308 508 G CA -0.628 44.447 45.100 -0.041 0.000 0.964 508 G HN 0.111 nan 8.290 nan 0.000 0.484 509 G N -1.752 107.050 108.800 0.003 0.000 2.476 509 G HA2 0.403 4.363 3.960 -0.000 0.000 0.286 509 G HA3 0.403 4.363 3.960 -0.000 0.000 0.286 509 G C 0.408 175.358 174.900 0.083 0.000 1.177 509 G CA -0.181 44.961 45.100 0.069 0.000 0.870 509 G HN 0.574 nan 8.290 nan 0.000 0.528 510 H N 0.296 119.370 119.070 0.007 0.000 2.421 510 H HA -0.034 4.522 4.556 -0.000 0.000 0.298 510 H C 2.555 177.917 175.328 0.057 0.000 1.087 510 H CA 1.039 57.127 56.048 0.066 0.000 1.330 510 H CB -0.020 29.810 29.762 0.113 0.000 1.388 510 H HN 0.299 nan 8.280 nan 0.000 0.526 511 L N -0.120 121.191 121.223 0.146 0.000 2.265 511 L HA -0.151 4.189 4.340 -0.000 0.000 0.215 511 L C 1.836 178.713 176.870 0.011 0.000 1.117 511 L CA 0.491 55.375 54.840 0.074 0.000 0.782 511 L CB -0.358 41.735 42.059 0.056 0.000 0.914 511 L HN 0.302 nan 8.230 nan 0.000 0.441 512 L N -0.333 120.888 121.223 -0.003 0.000 2.261 512 L HA -0.214 4.125 4.340 -0.000 0.000 0.216 512 L C 2.445 179.290 176.870 -0.042 0.000 1.114 512 L CA 0.707 55.521 54.840 -0.044 0.000 0.777 512 L CB -0.382 41.643 42.059 -0.058 0.000 0.910 512 L HN 0.240 nan 8.230 nan 0.000 0.440 513 E N 0.638 120.842 120.200 0.007 0.000 2.268 513 E HA -0.158 4.191 4.350 -0.000 0.000 0.195 513 E C 2.108 178.699 176.600 -0.014 0.000 0.995 513 E CA 0.808 57.231 56.400 0.039 0.000 0.836 513 E CB -0.209 29.565 29.700 0.123 0.000 0.763 513 E HN 0.430 nan 8.360 nan 0.000 0.491 514 L N -0.190 120.998 121.223 -0.058 0.000 2.261 514 L HA -0.138 4.201 4.340 -0.000 0.000 0.216 514 L C 1.663 178.408 176.870 -0.209 0.000 1.114 514 L CA 0.695 55.449 54.840 -0.145 0.000 0.777 514 L CB -0.248 41.677 42.059 -0.223 0.000 0.910 514 L HN 0.204 nan 8.230 nan 0.000 0.440 515 L N -0.715 120.395 121.223 -0.188 0.000 2.611 515 L HA 0.069 4.408 4.340 -0.000 0.000 0.229 515 L C 0.721 177.458 176.870 -0.221 0.000 1.137 515 L CA -0.391 54.300 54.840 -0.248 0.000 0.901 515 L CB -0.496 41.425 42.059 -0.230 0.000 1.098 515 L HN 0.200 nan 8.230 nan 0.000 0.456 516 N N 2.786 121.412 118.700 -0.125 0.000 2.417 516 N HA -0.021 4.719 4.740 -0.000 0.000 0.272 516 N C -1.664 173.789 175.510 -0.095 0.000 1.304 516 N CA -1.015 52.005 53.050 -0.049 0.000 0.906 516 N CB 0.875 39.387 38.487 0.041 0.000 1.135 516 N HN 0.007 nan 8.380 nan 0.000 0.483 517 P HA 0.092 nan 4.420 nan 0.000 0.275 517 P C 0.564 177.998 177.300 0.224 0.000 1.310 517 P CA 0.116 63.202 63.100 -0.022 0.000 0.904 517 P CB 0.135 31.899 31.700 0.107 0.000 1.381 518 S N -0.147 115.677 115.700 0.205 0.000 2.489 518 S HA -0.067 4.403 4.470 -0.000 0.000 0.228 518 S C 1.219 175.726 174.600 -0.155 0.000 0.995 518 S CA 0.908 59.163 58.200 0.093 0.000 0.934 518 S CB -0.730 62.564 63.200 0.156 0.000 0.771 518 S HN 0.074 nan 8.310 nan 0.000 0.522 519 E N -0.911 119.280 120.200 -0.015 0.000 5.052 519 E HA -0.238 4.111 4.350 -0.000 0.000 0.167 519 E C 1.141 177.638 176.600 -0.172 0.000 1.146 519 E CA 1.515 57.882 56.400 -0.055 0.000 2.262 519 E CB -1.890 27.760 29.700 -0.084 0.000 1.785 519 E HN 0.747 nan 8.360 nan 0.000 0.455 520 V N -2.104 117.518 119.914 -0.487 0.000 3.660 520 V HA 0.387 4.506 4.120 -0.000 0.000 0.276 520 V C 0.398 176.078 176.094 -0.691 0.000 1.317 520 V CA 0.268 62.188 62.300 -0.632 0.000 1.097 520 V CB -0.151 31.097 31.823 -0.958 0.000 0.863 520 V HN 0.118 nan 8.190 nan 0.000 0.438 521 F N 0.988 120.851 119.950 -0.146 0.000 2.538 521 F HA 0.901 5.427 4.527 -0.001 0.000 0.325 521 F C 0.719 176.530 175.800 0.018 0.000 1.066 521 F CA -0.829 57.092 58.000 -0.132 0.000 0.946 521 F CB 1.573 40.508 39.000 -0.109 0.000 1.199 521 F HN 0.055 nan 8.300 nan 0.000 0.473 522 G N -0.180 108.731 108.800 0.184 0.000 2.452 522 G HA2 0.497 4.456 3.960 -0.000 0.000 0.324 522 G HA3 0.497 4.456 3.960 -0.000 0.000 0.324 522 G C -1.206 173.751 174.900 0.095 0.000 1.214 522 G CA -0.693 44.529 45.100 0.203 0.000 0.947 522 G HN 0.689 nan 8.290 nan 0.000 0.478 523 D N -0.097 120.357 120.400 0.090 0.000 2.828 523 D HA -0.191 4.449 4.640 -0.000 0.000 0.241 523 D C 1.147 177.524 176.300 0.128 0.000 1.142 523 D CA 1.308 55.339 54.000 0.052 0.000 0.755 523 D CB -0.860 39.790 40.800 -0.250 0.000 1.014 523 D HN 0.714 nan 8.370 nan 0.000 0.420 524 I N -4.431 116.264 120.570 0.208 0.000 4.288 524 I HA 0.084 4.253 4.170 -0.000 0.000 0.331 524 I C 1.821 178.150 176.117 0.354 0.000 1.322 524 I CA -0.448 61.028 61.300 0.293 0.000 1.149 524 I CB 0.054 38.301 38.000 0.412 0.000 1.112 524 I HN -0.105 nan 8.210 nan 0.000 0.403 525 M N 2.671 122.393 119.600 0.203 0.000 2.236 525 M HA 0.311 4.791 4.480 -0.000 0.000 0.266 525 M C 1.053 177.373 176.300 0.034 0.000 1.070 525 M CA 1.139 56.502 55.300 0.106 0.000 1.137 525 M CB -0.413 32.203 32.600 0.026 0.000 1.378 525 M HN 0.404 nan 8.290 nan 0.000 0.426 526 I N -3.709 116.754 120.570 -0.178 0.000 3.002 526 I HA 0.463 4.633 4.170 -0.000 0.000 0.310 526 I C -0.536 175.363 176.117 -0.363 0.000 1.087 526 I CA -1.077 60.053 61.300 -0.283 0.000 1.017 526 I CB 1.703 39.408 38.000 -0.493 0.000 1.226 526 I HN -0.274 nan 8.210 nan 0.000 0.443 527 D N 2.886 123.218 120.400 -0.114 0.000 2.435 527 D HA 0.229 4.869 4.640 -0.000 0.000 0.230 527 D C -0.691 175.527 176.300 -0.137 0.000 1.215 527 D CA 0.148 54.158 54.000 0.017 0.000 0.947 527 D CB -0.269 40.732 40.800 0.334 0.000 1.048 527 D HN 0.364 nan 8.370 nan 0.000 0.512 528 Y N 0.952 121.154 120.300 -0.164 0.000 2.457 528 Y HA 0.051 4.601 4.550 -0.001 0.000 0.341 528 Y C 1.749 177.409 175.900 -0.400 0.000 1.240 528 Y CA -0.248 57.637 58.100 -0.359 0.000 1.437 528 Y CB 0.473 38.563 38.460 -0.616 0.000 1.328 528 Y HN 0.170 nan 8.280 nan 0.000 0.588 529 T N -0.292 114.188 114.554 -0.123 0.000 2.897 529 T HA 0.473 4.823 4.350 -0.000 0.000 0.294 529 T C -1.140 173.512 174.700 -0.079 0.000 1.004 529 T CA -0.572 61.470 62.100 -0.097 0.000 1.106 529 T CB 0.302 69.054 68.868 -0.193 0.000 0.949 529 T HN 0.423 nan 8.240 nan 0.000 0.520 530 Y N 0.561 121.045 120.300 0.308 0.000 2.512 530 Y HA 0.479 5.029 4.550 -0.000 0.000 0.348 530 Y C 1.132 177.254 175.900 0.370 0.000 0.990 530 Y CA -1.288 57.026 58.100 0.356 0.000 1.033 530 Y CB 1.926 40.574 38.460 0.314 0.000 1.259 530 Y HN 0.461 nan 8.280 nan 0.000 0.461 531 V N 1.932 122.131 119.914 0.475 0.000 2.407 531 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 531 V C 1.256 177.343 176.094 -0.011 0.000 1.055 531 V CA 2.468 64.919 62.300 0.251 0.000 1.049 531 V CB -0.066 31.767 31.823 0.016 0.000 0.662 531 V HN 0.943 nan 8.190 nan 0.000 0.455 532 E N -0.507 119.592 120.200 -0.169 0.000 2.047 532 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 532 E C 2.239 178.532 176.600 -0.511 0.000 0.987 532 E CA 1.939 57.837 56.400 -0.835 0.000 0.799 532 E CB -0.578 28.518 29.700 -1.007 0.000 0.752 532 E HN 0.721 nan 8.360 nan 0.000 0.449 533 C N 0.500 119.714 119.300 -0.144 0.000 2.446 533 C HA -0.095 4.365 4.460 -0.000 0.000 0.277 533 C C 2.731 177.715 174.990 -0.009 0.000 1.275 533 C CA 1.151 60.142 59.018 -0.046 0.000 1.727 533 C CB -1.071 26.727 27.740 0.096 0.000 2.010 533 C HN 0.498 nan 8.230 nan 0.000 0.486 534 T N 0.554 115.163 114.554 0.091 0.000 2.674 534 T HA -0.201 4.149 4.350 -0.000 0.000 0.265 534 T C 2.075 176.788 174.700 0.022 0.000 1.039 534 T CA 2.052 64.237 62.100 0.142 0.000 1.150 534 T CB -0.534 68.458 68.868 0.206 0.000 0.864 534 T HN 0.622 nan 8.240 nan 0.000 0.427 535 S N 1.114 116.813 115.700 -0.001 0.000 2.359 535 S HA -0.123 4.347 4.470 -0.000 0.000 0.224 535 S C 2.388 176.977 174.600 -0.019 0.000 1.035 535 S CA 1.504 59.691 58.200 -0.021 0.000 1.018 535 S CB -0.620 62.571 63.200 -0.015 0.000 0.876 535 S HN 0.507 nan 8.310 nan 0.000 0.448 536 A N 0.769 123.592 122.820 0.005 0.000 1.902 536 A HA -0.014 4.306 4.320 -0.000 0.000 0.217 536 A C 2.394 179.931 177.584 -0.080 0.000 1.181 536 A CA 1.876 53.926 52.037 0.021 0.000 0.623 536 A CB -1.128 17.913 19.000 0.068 0.000 0.818 536 A HN 0.478 nan 8.150 nan 0.000 0.443 537 V N -0.179 119.614 119.914 -0.202 0.000 2.343 537 V HA -0.328 3.792 4.120 -0.000 0.000 0.247 537 V C 2.647 178.598 176.094 -0.238 0.000 1.051 537 V CA 2.301 64.382 62.300 -0.365 0.000 1.036 537 V CB -0.700 30.570 31.823 -0.923 0.000 0.654 537 V HN 0.582 nan 8.190 nan 0.000 0.451 538 M N -0.786 118.720 119.600 -0.157 0.000 2.065 538 M HA -0.281 4.199 4.480 -0.000 0.000 0.259 538 M C 2.383 178.677 176.300 -0.009 0.000 1.069 538 M CA 2.056 57.321 55.300 -0.059 0.000 1.110 538 M CB -0.529 32.055 32.600 -0.028 0.000 1.328 538 M HN 0.334 nan 8.290 nan 0.000 0.405 539 Q N -0.156 119.638 119.800 -0.010 0.000 2.096 539 Q HA -0.168 4.171 4.340 -0.000 0.000 0.204 539 Q C 2.199 178.249 176.000 0.083 0.000 0.982 539 Q CA 1.731 57.553 55.803 0.032 0.000 0.850 539 Q CB -0.354 28.384 28.738 0.000 0.000 0.901 539 Q HN 0.603 nan 8.270 nan 0.000 0.422 540 A N 0.712 123.557 122.820 0.043 0.000 1.872 540 A HA -0.112 4.208 4.320 -0.000 0.000 0.214 540 A C 2.060 179.743 177.584 0.165 0.000 1.187 540 A CA 0.960 53.048 52.037 0.085 0.000 0.614 540 A CB -0.569 18.430 19.000 -0.002 0.000 0.826 540 A HN 0.269 nan 8.150 nan 0.000 0.442 541 L N -0.837 120.440 121.223 0.090 0.000 2.093 541 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 541 L C 2.553 179.583 176.870 0.267 0.000 1.085 541 L CA 1.705 56.637 54.840 0.153 0.000 0.755 541 L CB -0.403 41.679 42.059 0.039 0.000 0.904 541 L HN 0.352 nan 8.230 nan 0.000 0.435 542 K N -0.005 120.517 120.400 0.202 0.000 2.063 542 K HA -0.266 4.053 4.320 -0.000 0.000 0.208 542 K C 2.131 178.904 176.600 0.287 0.000 1.048 542 K CA 1.757 58.181 56.287 0.228 0.000 0.928 542 K CB -0.490 32.109 32.500 0.165 0.000 0.713 542 K HN 0.225 nan 8.250 nan 0.000 0.442 543 Y N -0.698 119.708 120.300 0.177 0.000 2.220 543 Y HA -0.128 4.422 4.550 -0.001 0.000 0.291 543 Y C 1.895 177.933 175.900 0.231 0.000 1.129 543 Y CA 1.640 59.837 58.100 0.163 0.000 1.161 543 Y CB -0.210 38.328 38.460 0.129 0.000 0.997 543 Y HN 0.170 nan 8.280 nan 0.000 0.522 544 F N -0.054 120.032 119.950 0.227 0.000 2.102 544 F HA -0.235 4.292 4.527 -0.001 0.000 0.298 544 F C 2.537 178.499 175.800 0.270 0.000 1.105 544 F CA 2.293 60.437 58.000 0.241 0.000 1.239 544 F CB -0.772 38.340 39.000 0.187 0.000 0.991 544 F HN 0.176 nan 8.300 nan 0.000 0.474 545 H N 0.543 119.750 119.070 0.228 0.000 2.387 545 H HA -0.158 4.398 4.556 -0.000 0.000 0.299 545 H C 2.358 177.664 175.328 -0.037 0.000 1.099 545 H CA 2.285 58.400 56.048 0.112 0.000 1.315 545 H CB -0.366 29.498 29.762 0.170 0.000 1.380 545 H HN 0.323 nan 8.280 nan 0.000 0.513 546 K N -0.075 120.256 120.400 -0.115 0.000 2.063 546 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 546 K C 2.271 178.668 176.600 -0.338 0.000 1.048 546 K CA 1.760 57.901 56.287 -0.243 0.000 0.928 546 K CB -0.020 32.348 32.500 -0.220 0.000 0.713 546 K HN 0.198 nan 8.250 nan 0.000 0.442 547 R N -1.298 118.965 120.500 -0.395 0.000 2.290 547 R HA 0.112 4.452 4.340 -0.000 0.000 0.197 547 R C -0.339 175.432 176.300 -0.882 0.000 0.913 547 R CA 0.179 55.934 56.100 -0.576 0.000 1.040 547 R CB 0.506 30.458 30.300 -0.581 0.000 0.992 547 R HN 0.015 nan 8.270 nan 0.000 0.500 548 F N -0.352 119.295 119.950 -0.506 0.000 2.646 548 F HA 0.370 4.897 4.527 -0.001 0.000 0.336 548 F C -1.959 173.667 175.800 -0.290 0.000 1.437 548 F CA -2.073 55.648 58.000 -0.466 0.000 1.142 548 F CB 1.943 40.440 39.000 -0.838 0.000 1.530 548 F HN -0.095 nan 8.300 nan 0.000 0.591 549 P HA -0.150 nan 4.420 nan 0.000 0.226 549 P C 1.400 178.711 177.300 0.019 0.000 1.153 549 P CA 1.033 64.012 63.100 -0.203 0.000 0.777 549 P CB 0.243 31.790 31.700 -0.254 0.000 0.794 550 E N -0.691 119.554 120.200 0.074 0.000 2.489 550 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 550 E C 0.076 176.798 176.600 0.203 0.000 1.057 550 E CA 0.354 56.824 56.400 0.118 0.000 0.866 550 E CB -0.917 28.837 29.700 0.090 0.000 0.916 550 E HN 0.343 nan 8.360 nan 0.000 0.500 551 H N 1.894 121.071 119.070 0.178 0.000 2.597 551 H HA 0.294 4.850 4.556 -0.000 0.000 0.303 551 H C -0.244 175.244 175.328 0.265 0.000 1.057 551 H CA -0.299 55.886 56.048 0.229 0.000 1.261 551 H CB 0.228 30.176 29.762 0.310 0.000 1.397 551 H HN 0.003 nan 8.280 nan 0.000 0.461 552 R N 2.615 122.993 120.500 -0.204 0.000 3.322 552 R HA -0.235 4.105 4.340 -0.000 0.000 0.253 552 R C 1.075 177.390 176.300 0.024 0.000 0.987 552 R CA 0.432 56.443 56.100 -0.148 0.000 0.666 552 R CB -1.643 28.492 30.300 -0.275 0.000 1.072 552 R HN 0.695 nan 8.270 nan 0.000 0.447 553 A N 0.435 123.316 122.820 0.101 0.000 1.933 553 A HA -0.064 4.255 4.320 -0.000 0.000 0.218 553 A C 2.317 179.909 177.584 0.015 0.000 1.175 553 A CA 1.678 53.811 52.037 0.160 0.000 0.628 553 A CB -0.259 18.907 19.000 0.275 0.000 0.814 553 A HN 0.624 nan 8.150 nan 0.000 0.444 554 A N 0.640 123.469 122.820 0.016 0.000 1.897 554 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 554 A C 1.999 179.571 177.584 -0.020 0.000 1.181 554 A CA 1.461 53.497 52.037 -0.001 0.000 0.620 554 A CB -0.495 18.509 19.000 0.007 0.000 0.821 554 A HN 0.749 nan 8.150 nan 0.000 0.443 555 E N -0.087 120.100 120.200 -0.021 0.000 2.158 555 E HA -0.085 4.264 4.350 -0.000 0.000 0.191 555 E C 1.862 178.449 176.600 -0.022 0.000 0.982 555 E CA 0.987 57.377 56.400 -0.017 0.000 0.823 555 E CB -0.438 29.254 29.700 -0.013 0.000 0.766 555 E HN 0.605 nan 8.360 nan 0.000 0.468 556 I N 1.213 121.756 120.570 -0.046 0.000 2.179 556 I HA -0.236 3.933 4.170 -0.000 0.000 0.242 556 I C 2.896 178.937 176.117 -0.126 0.000 1.088 556 I CA 1.226 62.479 61.300 -0.078 0.000 1.357 556 I CB -0.265 37.671 38.000 -0.107 0.000 1.051 556 I HN 0.045 nan 8.210 nan 0.000 0.409 557 R N 0.354 120.747 120.500 -0.179 0.000 2.091 557 R HA -0.235 4.105 4.340 -0.000 0.000 0.238 557 R C 2.271 178.542 176.300 -0.048 0.000 1.136 557 R CA 1.804 57.827 56.100 -0.129 0.000 0.959 557 R CB -0.283 29.966 30.300 -0.085 0.000 0.856 557 R HN 0.427 nan 8.270 nan 0.000 0.437 558 E N -0.443 119.739 120.200 -0.029 0.000 2.106 558 E HA -0.132 4.217 4.350 -0.000 0.000 0.192 558 E C 1.423 178.028 176.600 0.008 0.000 0.984 558 E CA 1.417 57.813 56.400 -0.007 0.000 0.806 558 E CB 0.178 29.876 29.700 -0.004 0.000 0.750 558 E HN 0.210 nan 8.360 nan 0.000 0.458 559 T N 1.382 115.946 114.554 0.018 0.000 2.746 559 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 559 T C 1.846 176.590 174.700 0.073 0.000 1.039 559 T CA 1.117 63.257 62.100 0.067 0.000 1.142 559 T CB -0.133 68.799 68.868 0.105 0.000 0.866 559 T HN 0.155 nan 8.240 nan 0.000 0.444 560 L N 0.459 121.699 121.223 0.029 0.000 2.056 560 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 560 L C 2.954 179.830 176.870 0.009 0.000 1.078 560 L CA 1.127 55.978 54.840 0.018 0.000 0.749 560 L CB -1.079 40.977 42.059 -0.005 0.000 0.901 560 L HN 0.250 nan 8.230 nan 0.000 0.433 561 T N -0.697 113.859 114.554 0.004 0.000 2.652 561 T HA -0.255 4.095 4.350 -0.000 0.000 0.267 561 T C 1.914 176.624 174.700 0.016 0.000 1.039 561 T CA 1.511 63.611 62.100 0.001 0.000 1.153 561 T CB -0.194 68.676 68.868 0.004 0.000 0.863 561 T HN 0.365 nan 8.240 nan 0.000 0.428 562 Q N 0.039 119.857 119.800 0.031 0.000 2.167 562 Q HA 0.003 4.343 4.340 -0.000 0.000 0.202 562 Q C 2.662 178.714 176.000 0.087 0.000 0.970 562 Q CA 1.138 56.970 55.803 0.048 0.000 0.855 562 Q CB -0.381 28.373 28.738 0.027 0.000 0.911 562 Q HN 0.596 nan 8.270 nan 0.000 0.438 563 G N 1.136 109.991 108.800 0.091 0.000 2.433 563 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.216 563 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.216 563 G C 1.341 176.316 174.900 0.125 0.000 1.186 563 G CA 0.625 45.806 45.100 0.135 0.000 0.779 563 G HN 0.254 nan 8.290 nan 0.000 0.543 564 L N 0.573 121.802 121.223 0.010 0.000 2.079 564 L HA -0.033 4.307 4.340 -0.000 0.000 0.210 564 L C 2.659 179.508 176.870 -0.036 0.000 1.081 564 L CA 1.856 56.624 54.840 -0.121 0.000 0.752 564 L CB -0.348 41.571 42.059 -0.233 0.000 0.896 564 L HN 0.119 nan 8.230 nan 0.000 0.433 565 E N -0.920 119.308 120.200 0.046 0.000 2.072 565 E HA -0.258 4.092 4.350 -0.000 0.000 0.191 565 E C 2.114 178.808 176.600 0.156 0.000 0.985 565 E CA 1.454 57.908 56.400 0.091 0.000 0.801 565 E CB -0.654 29.094 29.700 0.080 0.000 0.750 565 E HN 0.559 nan 8.360 nan 0.000 0.452 566 F N 1.333 121.319 119.950 0.061 0.000 2.065 566 F HA -0.310 4.217 4.527 -0.001 0.000 0.298 566 F C 2.454 178.356 175.800 0.169 0.000 1.112 566 F CA 1.718 59.773 58.000 0.092 0.000 1.212 566 F CB -0.376 38.667 39.000 0.072 0.000 0.975 566 F HN 0.011 nan 8.300 nan 0.000 0.476 567 C N 0.761 120.225 119.300 0.274 0.000 2.413 567 C HA -0.176 4.284 4.460 -0.000 0.000 0.276 567 C C 2.861 178.170 174.990 0.533 0.000 1.248 567 C CA 1.375 60.587 59.018 0.323 0.000 1.742 567 C CB -1.406 26.474 27.740 0.233 0.000 2.017 567 C HN 0.514 nan 8.230 nan 0.000 0.481 568 R N 0.723 121.466 120.500 0.404 0.000 2.073 568 R HA -0.122 4.218 4.340 -0.000 0.000 0.234 568 R C 2.406 178.805 176.300 0.164 0.000 1.134 568 R CA 1.486 57.829 56.100 0.405 0.000 0.952 568 R CB -0.237 30.250 30.300 0.311 0.000 0.850 568 R HN 0.532 nan 8.270 nan 0.000 0.433 569 R N -0.316 120.218 120.500 0.057 0.000 2.148 569 R HA -0.060 4.280 4.340 -0.000 0.000 0.227 569 R C 2.210 178.441 176.300 -0.115 0.000 1.103 569 R CA 0.934 57.008 56.100 -0.044 0.000 0.983 569 R CB 0.003 30.262 30.300 -0.069 0.000 0.874 569 R HN 0.270 nan 8.270 nan 0.000 0.451 570 Q N 0.598 120.314 119.800 -0.139 0.000 2.378 570 Q HA -0.027 4.313 4.340 -0.000 0.000 0.205 570 Q C 0.464 176.379 176.000 -0.142 0.000 0.954 570 Q CA 0.505 56.233 55.803 -0.125 0.000 0.901 570 Q CB 0.102 28.755 28.738 -0.143 0.000 0.981 570 Q HN 0.391 nan 8.270 nan 0.000 0.483 571 Q N 1.283 120.901 119.800 -0.303 0.000 2.330 571 Q HA 0.020 4.360 4.340 -0.000 0.000 0.279 571 Q C -0.406 175.274 176.000 -0.532 0.000 1.024 571 Q CA 0.133 55.359 55.803 -0.961 0.000 0.900 571 Q CB 0.608 28.727 28.738 -1.032 0.000 1.221 571 Q HN 0.103 nan 8.270 nan 0.000 0.396 572 R N 1.627 121.817 120.500 -0.517 0.000 2.707 572 R HA 0.137 4.477 4.340 -0.000 0.000 0.270 572 R C 0.988 177.127 176.300 -0.268 0.000 1.083 572 R CA 0.303 56.230 56.100 -0.288 0.000 1.182 572 R CB 0.357 30.531 30.300 -0.210 0.000 1.084 572 R HN 0.843 nan 8.270 nan 0.000 0.528 573 A N 1.577 124.299 122.820 -0.162 0.000 2.019 573 A HA -0.197 4.122 4.320 -0.000 0.000 0.219 573 A C 1.320 178.840 177.584 -0.107 0.000 1.164 573 A CA 1.951 53.916 52.037 -0.121 0.000 0.644 573 A CB -0.483 18.473 19.000 -0.074 0.000 0.805 573 A HN 0.863 nan 8.150 nan 0.000 0.449 574 D N -2.529 117.812 120.400 -0.097 0.000 2.363 574 D HA 0.276 4.915 4.640 -0.000 0.000 0.226 574 D C 1.201 177.474 176.300 -0.044 0.000 1.020 574 D CA 1.119 55.109 54.000 -0.016 0.000 0.892 574 D CB -0.372 40.484 40.800 0.093 0.000 0.900 574 D HN 0.739 nan 8.370 nan 0.000 0.531 575 G N -0.153 108.509 108.800 -0.230 0.000 2.254 575 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.225 575 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.225 575 G C 0.457 175.042 174.900 -0.525 0.000 1.003 575 G CA 0.241 45.156 45.100 -0.308 0.000 0.622 575 G HN 0.837 nan 8.290 nan 0.000 0.507 576 S N -0.063 115.213 115.700 -0.706 0.000 2.603 576 S HA 0.630 5.100 4.470 -0.000 0.000 0.268 576 S C -0.041 174.313 174.600 -0.411 0.000 1.317 576 S CA -0.351 57.432 58.200 -0.696 0.000 1.012 576 S CB 1.186 63.636 63.200 -1.249 0.000 0.926 576 S HN 0.449 nan 8.310 nan 0.000 0.539 577 W N 0.775 122.046 121.300 -0.049 0.000 2.573 577 W HA 0.368 5.028 4.660 -0.000 0.000 0.326 577 W C 0.293 176.835 176.519 0.038 0.000 1.049 577 W CA -0.620 56.737 57.345 0.020 0.000 1.220 577 W CB 1.449 30.922 29.460 0.020 0.000 1.373 577 W HN 0.823 nan 8.180 nan 0.000 0.507 578 E N 1.315 121.607 120.200 0.154 0.000 2.324 578 E HA 0.298 4.647 4.350 -0.000 0.000 0.271 578 E C 0.528 177.040 176.600 -0.147 0.000 1.028 578 E CA -0.009 56.207 56.400 -0.307 0.000 0.890 578 E CB 0.754 30.344 29.700 -0.182 0.000 1.004 578 E HN 0.554 nan 8.360 nan 0.000 0.431 579 G N 2.599 111.250 108.800 -0.250 0.000 2.390 579 G HA2 0.160 4.119 3.960 -0.000 0.000 0.270 579 G HA3 0.160 4.119 3.960 -0.000 0.000 0.270 579 G C 0.289 175.093 174.900 -0.160 0.000 1.211 579 G CA -0.448 44.645 45.100 -0.011 0.000 0.842 579 G HN 0.539 nan 8.290 nan 0.000 0.519 580 S N 0.948 116.542 115.700 -0.177 0.000 2.506 580 S HA 0.088 4.558 4.470 -0.000 0.000 0.219 580 S C 0.821 174.858 174.600 -0.938 0.000 1.031 580 S CA -0.048 57.805 58.200 -0.578 0.000 0.911 580 S CB 0.162 62.945 63.200 -0.695 0.000 0.812 580 S HN 0.779 nan 8.310 nan 0.000 0.497 581 W N 1.509 122.733 121.300 -0.126 0.000 2.714 581 W HA 0.538 5.198 4.660 -0.001 0.000 0.353 581 W C 0.798 177.121 176.519 -0.326 0.000 0.999 581 W CA -0.370 56.895 57.345 -0.133 0.000 1.629 581 W CB 0.636 30.034 29.460 -0.103 0.000 1.106 581 W HN 0.198 nan 8.180 nan 0.000 0.545 582 G N 0.021 108.471 108.800 -0.584 0.000 2.690 582 G HA2 0.492 4.451 3.960 -0.000 0.000 0.293 582 G HA3 0.492 4.451 3.960 -0.000 0.000 0.293 582 G C -1.743 172.936 174.900 -0.369 0.000 1.399 582 G CA -0.709 43.840 45.100 -0.918 0.000 0.890 582 G HN -0.275 nan 8.290 nan 0.000 0.485 583 V N 0.617 120.560 119.914 0.050 0.000 2.348 583 V HA 0.419 4.539 4.120 -0.000 0.000 0.270 583 V C 0.395 176.709 176.094 0.367 0.000 1.037 583 V CA -0.226 62.173 62.300 0.164 0.000 0.872 583 V CB 0.259 32.224 31.823 0.237 0.000 1.002 583 V HN 1.033 nan 8.190 nan 0.000 0.464 584 C N 4.102 123.549 119.300 0.245 0.000 3.154 584 C HA 0.243 4.702 4.460 -0.000 0.000 0.284 584 C C 1.850 176.833 174.990 -0.012 0.000 2.328 584 C CA 0.401 59.418 59.018 -0.002 0.000 1.586 584 C CB -0.451 27.191 27.740 -0.164 0.000 1.551 584 C HN 0.671 nan 8.230 nan 0.000 0.693 585 F N 2.836 122.929 119.950 0.238 0.000 2.293 585 F HA 0.026 4.553 4.527 -0.001 0.000 0.297 585 F C 2.722 178.750 175.800 0.379 0.000 1.089 585 F CA 1.940 60.127 58.000 0.313 0.000 1.377 585 F CB -0.608 38.659 39.000 0.445 0.000 1.051 585 F HN 0.468 nan 8.300 nan 0.000 0.511 586 T N -2.370 112.532 114.554 0.579 0.000 2.788 586 T HA -0.297 4.053 4.350 -0.000 0.000 0.268 586 T C 1.845 176.787 174.700 0.403 0.000 1.044 586 T CA 1.435 63.815 62.100 0.467 0.000 1.139 586 T CB -1.102 68.023 68.868 0.429 0.000 0.867 586 T HN 0.407 nan 8.240 nan 0.000 0.454 587 Y N 2.243 122.667 120.300 0.206 0.000 2.109 587 Y HA 0.135 4.684 4.550 -0.000 0.000 0.285 587 Y C 2.798 178.746 175.900 0.079 0.000 1.131 587 Y CA 1.334 59.331 58.100 -0.172 0.000 1.121 587 Y CB -0.783 37.450 38.460 -0.379 0.000 0.987 587 Y HN 0.249 nan 8.280 nan 0.000 0.495 588 G N -1.247 107.682 108.800 0.215 0.000 2.418 588 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 588 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 588 G C 1.583 176.574 174.900 0.151 0.000 1.158 588 G CA 1.523 46.717 45.100 0.157 0.000 0.771 588 G HN 0.425 nan 8.290 nan 0.000 0.545 589 T N -0.202 114.518 114.554 0.277 0.000 2.867 589 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 589 T C 1.808 176.581 174.700 0.121 0.000 1.057 589 T CA 1.140 63.449 62.100 0.347 0.000 1.136 589 T CB -0.205 68.888 68.868 0.376 0.000 0.874 589 T HN 0.536 nan 8.240 nan 0.000 0.466 590 W N 1.659 122.868 121.300 -0.151 0.000 2.335 590 W HA -0.088 4.572 4.660 -0.000 0.000 0.311 590 W C 1.441 177.696 176.519 -0.441 0.000 1.213 590 W CA 0.542 57.681 57.345 -0.343 0.000 1.274 590 W CB -1.027 28.109 29.460 -0.541 0.000 1.148 590 W HN 0.208 nan 8.180 nan 0.000 0.498 591 F N 0.922 120.408 119.950 -0.774 0.000 2.171 591 F HA -0.030 4.496 4.527 -0.001 0.000 0.300 591 F C 2.700 178.071 175.800 -0.714 0.000 1.090 591 F CA 2.199 59.652 58.000 -0.911 0.000 1.293 591 F CB -1.158 37.380 39.000 -0.768 0.000 1.013 591 F HN 0.015 nan 8.300 nan 0.000 0.486 592 G N -0.238 108.145 108.800 -0.696 0.000 2.402 592 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 592 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 592 G C 1.744 176.303 174.900 -0.568 0.000 1.162 592 G CA 0.597 44.934 45.100 -1.271 0.000 0.777 592 G HN 0.300 nan 8.290 nan 0.000 0.539 593 L N 0.278 121.315 121.223 -0.309 0.000 2.083 593 L HA -0.042 4.298 4.340 -0.000 0.000 0.209 593 L C 2.901 179.756 176.870 -0.026 0.000 1.083 593 L CA 0.905 55.729 54.840 -0.028 0.000 0.752 593 L CB -0.243 41.851 42.059 0.057 0.000 0.899 593 L HN 0.165 nan 8.230 nan 0.000 0.433 594 E N 0.126 120.204 120.200 -0.204 0.000 2.150 594 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 594 E C 2.262 178.799 176.600 -0.105 0.000 0.985 594 E CA 1.271 57.548 56.400 -0.205 0.000 0.814 594 E CB -0.072 29.339 29.700 -0.482 0.000 0.752 594 E HN 0.489 nan 8.360 nan 0.000 0.466 595 A N 0.538 123.293 122.820 -0.109 0.000 1.873 595 A HA -0.112 4.207 4.320 -0.000 0.000 0.215 595 A C 2.045 179.606 177.584 -0.038 0.000 1.186 595 A CA 0.885 52.878 52.037 -0.075 0.000 0.616 595 A CB -0.833 18.103 19.000 -0.106 0.000 0.823 595 A HN 0.147 nan 8.150 nan 0.000 0.442 596 F N 0.313 120.235 119.950 -0.046 0.000 2.134 596 F HA -0.158 4.368 4.527 -0.001 0.000 0.299 596 F C 2.827 178.642 175.800 0.026 0.000 1.097 596 F CA 1.266 59.279 58.000 0.021 0.000 1.264 596 F CB -0.299 38.739 39.000 0.064 0.000 1.001 596 F HN 0.271 nan 8.300 nan 0.000 0.479 597 A N -0.435 122.496 122.820 0.185 0.000 1.902 597 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 597 A C 2.305 179.939 177.584 0.082 0.000 1.181 597 A CA 1.726 53.838 52.037 0.126 0.000 0.623 597 A CB -1.662 17.397 19.000 0.099 0.000 0.818 597 A HN 0.654 nan 8.150 nan 0.000 0.443 598 C N -1.923 117.407 119.300 0.050 0.000 2.456 598 C HA 0.171 4.631 4.460 -0.000 0.000 0.279 598 C C 1.976 176.992 174.990 0.044 0.000 1.427 598 C CA 0.653 59.701 59.018 0.050 0.000 1.778 598 C CB -1.026 26.736 27.740 0.037 0.000 1.842 598 C HN 0.461 nan 8.230 nan 0.000 0.531 599 M N 0.882 120.495 119.600 0.021 0.000 2.453 599 M HA 0.234 4.713 4.480 -0.000 0.000 0.239 599 M C 1.706 178.026 176.300 0.034 0.000 1.151 599 M CA 0.799 56.102 55.300 0.005 0.000 0.989 599 M CB -0.891 31.666 32.600 -0.072 0.000 1.548 599 M HN 0.739 nan 8.290 nan 0.000 0.479 600 G N 0.804 109.641 108.800 0.062 0.000 2.141 600 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.242 600 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.242 600 G C 0.027 174.983 174.900 0.093 0.000 0.982 600 G CA -0.185 44.959 45.100 0.073 0.000 0.662 600 G HN 0.445 nan 8.290 nan 0.000 0.527 601 Q N 1.485 121.364 119.800 0.133 0.000 2.503 601 Q HA 0.475 4.815 4.340 -0.000 0.000 0.227 601 Q C 0.711 176.811 176.000 0.167 0.000 1.109 601 Q CA 0.753 56.663 55.803 0.178 0.000 0.922 601 Q CB 0.849 29.797 28.738 0.349 0.000 1.249 601 Q HN 0.791 nan 8.270 nan 0.000 0.530 602 T N -2.277 112.346 114.554 0.114 0.000 2.773 602 T HA 0.540 4.889 4.350 -0.000 0.000 0.278 602 T C -0.141 174.602 174.700 0.073 0.000 1.011 602 T CA -0.642 61.541 62.100 0.138 0.000 1.014 602 T CB 0.617 69.579 68.868 0.157 0.000 1.293 602 T HN 0.237 nan 8.240 nan 0.000 0.554 603 Y N 0.854 121.197 120.300 0.071 0.000 2.511 603 Y HA 0.483 5.033 4.550 -0.000 0.000 0.332 603 Y C 1.292 177.214 175.900 0.037 0.000 1.177 603 Y CA 0.116 58.240 58.100 0.040 0.000 1.422 603 Y CB 0.553 39.017 38.460 0.006 0.000 1.271 603 Y HN 0.300 nan 8.280 nan 0.000 0.550 604 R N 2.442 123.019 120.500 0.129 0.000 2.515 604 R HA 0.140 4.480 4.340 -0.000 0.000 0.291 604 R C -1.016 175.336 176.300 0.087 0.000 1.046 604 R CA -0.598 55.558 56.100 0.092 0.000 0.914 604 R CB 1.641 31.971 30.300 0.050 0.000 1.191 604 R HN 0.823 nan 8.270 nan 0.000 0.435 605 D N 1.634 122.084 120.400 0.083 0.000 3.012 605 D HA -0.189 4.450 4.640 -0.000 0.000 0.222 605 D C 0.779 177.127 176.300 0.079 0.000 1.167 605 D CA 1.890 55.929 54.000 0.066 0.000 0.854 605 D CB -0.782 40.046 40.800 0.047 0.000 1.107 605 D HN 1.078 nan 8.370 nan 0.000 0.421 606 G N -1.428 107.447 108.800 0.126 0.000 2.157 606 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.239 606 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.239 606 G C 0.301 175.346 174.900 0.242 0.000 0.982 606 G CA 0.787 45.973 45.100 0.143 0.000 0.650 606 G HN 0.764 nan 8.290 nan 0.000 0.527 607 T N -0.879 113.790 114.554 0.192 0.000 2.896 607 T HA 0.910 5.260 4.350 -0.000 0.000 0.297 607 T C -0.398 174.130 174.700 -0.286 0.000 1.108 607 T CA 0.829 62.941 62.100 0.020 0.000 1.004 607 T CB 1.633 70.505 68.868 0.008 0.000 1.159 607 T HN 1.777 nan 8.240 nan 0.000 0.499 608 A N 0.886 123.405 122.820 -0.502 0.000 2.583 608 A HA 0.723 5.043 4.320 -0.000 0.000 0.289 608 A C 0.361 177.786 177.584 -0.265 0.000 1.151 608 A CA -0.508 51.204 52.037 -0.542 0.000 0.695 608 A CB 0.089 18.424 19.000 -1.109 0.000 1.290 608 A HN 1.525 nan 8.150 nan 0.000 0.419 609 C N -0.612 118.593 119.300 -0.158 0.000 2.775 609 C HA 0.518 4.978 4.460 -0.000 0.000 0.391 609 C C 1.995 176.929 174.990 -0.094 0.000 1.295 609 C CA 0.148 59.125 59.018 -0.068 0.000 2.119 609 C CB -0.413 27.343 27.740 0.028 0.000 2.705 609 C HN 1.734 nan 8.230 nan 0.000 0.710 610 A N 0.903 123.692 122.820 -0.052 0.000 1.908 610 A HA -0.131 4.188 4.320 -0.000 0.000 0.218 610 A C 1.989 179.517 177.584 -0.094 0.000 1.181 610 A CA 2.307 54.312 52.037 -0.054 0.000 0.627 610 A CB -0.764 18.218 19.000 -0.030 0.000 0.818 610 A HN 0.978 nan 8.150 nan 0.000 0.445 611 E N -0.444 119.671 120.200 -0.141 0.000 2.031 611 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 611 E C 1.995 178.419 176.600 -0.294 0.000 0.994 611 E CA 1.339 57.574 56.400 -0.275 0.000 0.800 611 E CB -0.509 28.919 29.700 -0.454 0.000 0.752 611 E HN 0.313 nan 8.360 nan 0.000 0.447 612 V N 0.675 120.402 119.914 -0.312 0.000 2.343 612 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 612 V C 2.183 178.292 176.094 0.024 0.000 1.051 612 V CA 1.937 64.151 62.300 -0.144 0.000 1.036 612 V CB -0.544 31.206 31.823 -0.122 0.000 0.654 612 V HN 0.219 nan 8.190 nan 0.000 0.451 613 S N -0.546 115.138 115.700 -0.025 0.000 2.353 613 S HA -0.221 4.249 4.470 -0.000 0.000 0.222 613 S C 2.128 176.803 174.600 0.125 0.000 1.035 613 S CA 1.639 59.902 58.200 0.105 0.000 1.025 613 S CB -0.334 62.885 63.200 0.031 0.000 0.902 613 S HN 0.500 nan 8.310 nan 0.000 0.440 614 R N 0.834 121.355 120.500 0.035 0.000 2.081 614 R HA -0.032 4.308 4.340 -0.000 0.000 0.235 614 R C 2.590 178.932 176.300 0.070 0.000 1.131 614 R CA 1.214 57.333 56.100 0.031 0.000 0.960 614 R CB -0.503 29.770 30.300 -0.044 0.000 0.856 614 R HN 0.413 nan 8.270 nan 0.000 0.436 615 A N 0.412 123.256 122.820 0.041 0.000 1.902 615 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 615 A C 2.378 180.085 177.584 0.204 0.000 1.181 615 A CA 1.560 53.662 52.037 0.108 0.000 0.623 615 A CB -0.773 18.330 19.000 0.172 0.000 0.818 615 A HN 0.467 nan 8.150 nan 0.000 0.443 616 C N -0.900 118.520 119.300 0.200 0.000 2.457 616 C HA -0.041 4.419 4.460 -0.000 0.000 0.278 616 C C 2.459 177.520 174.990 0.118 0.000 1.309 616 C CA 1.039 60.151 59.018 0.156 0.000 1.735 616 C CB -1.080 26.809 27.740 0.248 0.000 1.992 616 C HN 0.763 nan 8.230 nan 0.000 0.493 617 D N 0.212 120.708 120.400 0.159 0.000 2.117 617 D HA -0.179 4.461 4.640 -0.000 0.000 0.197 617 D C 1.846 178.215 176.300 0.115 0.000 0.987 617 D CA 1.157 55.230 54.000 0.121 0.000 0.829 617 D CB -0.398 40.471 40.800 0.116 0.000 0.961 617 D HN 0.452 nan 8.370 nan 0.000 0.460 618 F N 0.653 120.615 119.950 0.019 0.000 2.091 618 F HA -0.163 4.363 4.527 -0.001 0.000 0.299 618 F C 2.040 177.860 175.800 0.033 0.000 1.103 618 F CA 1.450 59.449 58.000 -0.001 0.000 1.228 618 F CB -0.244 38.759 39.000 0.006 0.000 0.984 618 F HN 0.009 nan 8.300 nan 0.000 0.477 619 L N -0.440 120.967 121.223 0.307 0.000 2.005 619 L HA -0.216 4.123 4.340 -0.000 0.000 0.207 619 L C 2.480 179.573 176.870 0.371 0.000 1.072 619 L CA 1.265 56.285 54.840 0.299 0.000 0.744 619 L CB -0.867 41.275 42.059 0.138 0.000 0.895 619 L HN 0.174 nan 8.230 nan 0.000 0.433 620 L N -0.803 120.546 121.223 0.209 0.000 2.083 620 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 620 L C 2.664 179.544 176.870 0.016 0.000 1.083 620 L CA 0.892 55.827 54.840 0.158 0.000 0.752 620 L CB -0.466 41.612 42.059 0.031 0.000 0.899 620 L HN 0.192 nan 8.230 nan 0.000 0.433 621 S N -0.300 115.370 115.700 -0.049 0.000 2.419 621 S HA -0.160 4.310 4.470 -0.000 0.000 0.235 621 S C 1.727 176.194 174.600 -0.223 0.000 1.019 621 S CA 1.252 59.364 58.200 -0.146 0.000 0.982 621 S CB -0.217 62.864 63.200 -0.197 0.000 0.789 621 S HN 0.421 nan 8.310 nan 0.000 0.490 622 R N 0.475 120.841 120.500 -0.224 0.000 2.468 622 R HA 0.234 4.573 4.340 -0.000 0.000 0.280 622 R C 0.392 176.446 176.300 -0.409 0.000 0.963 622 R CA -0.165 55.752 56.100 -0.305 0.000 1.083 622 R CB 0.261 30.251 30.300 -0.517 0.000 1.200 622 R HN 0.373 nan 8.270 nan 0.000 0.541 623 Q N 1.436 120.892 119.800 -0.573 0.000 2.300 623 Q HA 0.073 4.412 4.340 -0.000 0.000 0.280 623 Q C -0.317 175.287 176.000 -0.659 0.000 1.033 623 Q CA 0.366 55.461 55.803 -1.181 0.000 0.903 623 Q CB 0.701 28.839 28.738 -0.999 0.000 1.195 623 Q HN 0.091 nan 8.270 nan 0.000 0.386 624 M N 1.970 121.195 119.600 -0.624 0.000 2.267 624 M HA 0.241 4.720 4.480 -0.000 0.000 0.303 624 M C 1.131 177.270 176.300 -0.270 0.000 1.164 624 M CA -0.046 55.055 55.300 -0.333 0.000 1.060 624 M CB 0.711 33.170 32.600 -0.235 0.000 1.455 624 M HN 0.838 nan 8.290 nan 0.000 0.483 625 A N 0.549 123.264 122.820 -0.175 0.000 2.019 625 A HA -0.159 4.160 4.320 -0.000 0.000 0.219 625 A C 1.408 178.918 177.584 -0.123 0.000 1.164 625 A CA 1.982 53.939 52.037 -0.134 0.000 0.644 625 A CB -0.808 18.137 19.000 -0.093 0.000 0.805 625 A HN 0.933 nan 8.150 nan 0.000 0.449 626 D N -2.436 117.889 120.400 -0.124 0.000 2.340 626 D HA 0.275 4.915 4.640 -0.000 0.000 0.220 626 D C 1.151 177.379 176.300 -0.120 0.000 1.039 626 D CA 0.999 54.939 54.000 -0.099 0.000 0.866 626 D CB -0.381 40.378 40.800 -0.069 0.000 0.913 626 D HN 0.728 nan 8.370 nan 0.000 0.523 627 G N -1.079 107.607 108.800 -0.191 0.000 2.213 627 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.236 627 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.236 627 G C 0.628 175.357 174.900 -0.285 0.000 0.991 627 G CA 0.049 45.019 45.100 -0.217 0.000 0.629 627 G HN 0.811 nan 8.290 nan 0.000 0.517 628 G N -1.628 107.023 108.800 -0.249 0.000 2.642 628 G HA2 0.575 4.534 3.960 -0.000 0.000 0.291 628 G HA3 0.575 4.534 3.960 -0.000 0.000 0.291 628 G C -0.405 174.332 174.900 -0.272 0.000 1.345 628 G CA -0.664 44.371 45.100 -0.108 0.000 1.043 628 G HN 0.271 nan 8.290 nan 0.000 0.528 629 W N -1.591 119.678 121.300 -0.052 0.000 2.962 629 W HA 0.607 5.267 4.660 -0.001 0.000 0.341 629 W C -0.181 176.325 176.519 -0.021 0.000 1.155 629 W CA -0.737 56.617 57.345 0.014 0.000 1.165 629 W CB 2.546 32.043 29.460 0.063 0.000 1.435 629 W HN 0.858 nan 8.180 nan 0.000 0.546 630 G N 1.477 110.437 108.800 0.267 0.000 2.761 630 G HA2 0.503 4.462 3.960 -0.000 0.000 0.296 630 G HA3 0.503 4.462 3.960 -0.000 0.000 0.296 630 G C -1.840 173.122 174.900 0.102 0.000 1.416 630 G CA -0.609 44.559 45.100 0.114 0.000 1.105 630 G HN 0.324 nan 8.290 nan 0.000 0.565 631 E N 1.222 121.425 120.200 0.006 0.000 2.238 631 E HA 0.375 4.725 4.350 -0.000 0.000 0.267 631 E C -1.077 175.550 176.600 0.045 0.000 0.887 631 E CA -0.930 55.412 56.400 -0.097 0.000 0.769 631 E CB 2.423 32.011 29.700 -0.186 0.000 1.187 631 E HN 0.365 nan 8.360 nan 0.000 0.416 632 D N 0.946 121.379 120.400 0.055 0.000 2.312 632 D HA 0.052 4.692 4.640 -0.000 0.000 0.248 632 D C 0.458 176.844 176.300 0.143 0.000 1.086 632 D CA -0.246 53.832 54.000 0.129 0.000 0.948 632 D CB 0.660 41.536 40.800 0.126 0.000 1.162 632 D HN 0.401 nan 8.370 nan 0.000 0.446 633 F N 1.190 121.191 119.950 0.086 0.000 2.202 633 F HA -0.214 4.313 4.527 -0.000 0.000 0.301 633 F C 1.723 177.561 175.800 0.063 0.000 1.082 633 F CA 1.520 59.558 58.000 0.063 0.000 1.313 633 F CB 0.274 39.307 39.000 0.055 0.000 1.024 633 F HN 0.337 nan 8.300 nan 0.000 0.495 634 E N -0.161 120.074 120.200 0.058 0.000 2.401 634 E HA -0.143 4.207 4.350 -0.000 0.000 0.199 634 E C 2.176 178.755 176.600 -0.035 0.000 1.023 634 E CA 0.924 57.331 56.400 0.013 0.000 0.859 634 E CB -0.315 29.456 29.700 0.119 0.000 0.780 634 E HN 0.314 nan 8.360 nan 0.000 0.523 635 S N -0.048 115.631 115.700 -0.037 0.000 2.374 635 S HA -0.233 4.237 4.470 -0.000 0.000 0.227 635 S C 1.951 176.559 174.600 0.013 0.000 1.037 635 S CA 1.238 59.478 58.200 0.067 0.000 1.024 635 S CB -0.385 62.876 63.200 0.101 0.000 0.861 635 S HN 0.500 nan 8.310 nan 0.000 0.456 636 C N 1.521 120.661 119.300 -0.266 0.000 2.476 636 C HA 0.004 4.464 4.460 -0.000 0.000 0.278 636 C C 2.616 177.480 174.990 -0.210 0.000 1.274 636 C CA 0.187 58.996 59.018 -0.348 0.000 1.713 636 C CB -1.290 26.048 27.740 -0.671 0.000 2.039 636 C HN 0.628 nan 8.230 nan 0.000 0.484 637 E N 0.876 120.940 120.200 -0.227 0.000 2.058 637 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 637 E C 1.966 178.686 176.600 0.201 0.000 0.997 637 E CA 1.134 57.569 56.400 0.058 0.000 0.801 637 E CB -0.175 29.600 29.700 0.124 0.000 0.746 637 E HN 0.605 nan 8.360 nan 0.000 0.450 638 E N 0.000 120.269 120.200 0.115 0.000 2.442 638 E HA 0.027 4.377 4.350 -0.000 0.000 0.195 638 E C 0.034 176.717 176.600 0.139 0.000 1.030 638 E CA 0.094 56.566 56.400 0.120 0.000 0.869 638 E CB 0.202 29.963 29.700 0.102 0.000 0.857 638 E HN 0.201 nan 8.360 nan 0.000 0.505 639 R N 0.547 121.154 120.500 0.179 0.000 3.532 639 R HA -0.204 4.135 4.340 -0.000 0.000 0.284 639 R C -0.002 176.540 176.300 0.404 0.000 1.140 639 R CA 0.864 57.133 56.100 0.283 0.000 0.768 639 R CB -2.209 28.200 30.300 0.180 0.000 1.252 639 R HN 0.305 nan 8.270 nan 0.000 0.454 640 R N -1.961 118.763 120.500 0.372 0.000 2.716 640 R HA 0.332 4.671 4.340 -0.000 0.000 0.271 640 R C -1.244 175.117 176.300 0.101 0.000 1.028 640 R CA -1.153 54.975 56.100 0.046 0.000 0.883 640 R CB 0.631 30.951 30.300 0.033 0.000 1.250 640 R HN -0.001 nan 8.270 nan 0.000 0.465 641 Y N 2.264 122.407 120.300 -0.261 0.000 2.605 641 Y HA 0.229 4.779 4.550 -0.001 0.000 0.336 641 Y C -0.581 175.358 175.900 0.066 0.000 1.111 641 Y CA 0.137 58.243 58.100 0.010 0.000 1.422 641 Y CB 0.554 38.999 38.460 -0.023 0.000 1.193 641 Y HN 0.353 nan 8.280 nan 0.000 0.526 642 L N 6.802 128.091 121.223 0.111 0.000 2.301 642 L HA 0.258 4.598 4.340 -0.000 0.000 0.278 642 L C -0.282 176.648 176.870 0.099 0.000 1.022 642 L CA -1.100 53.813 54.840 0.122 0.000 0.854 642 L CB 1.079 43.192 42.059 0.091 0.000 1.226 642 L HN 0.536 nan 8.230 nan 0.000 0.429 643 Q N 3.094 123.031 119.800 0.227 0.000 2.263 643 Q HA 0.084 4.424 4.340 -0.000 0.000 0.289 643 Q C 0.168 176.242 176.000 0.123 0.000 1.061 643 Q CA 0.098 56.041 55.803 0.235 0.000 0.927 643 Q CB 0.890 29.752 28.738 0.207 0.000 1.154 643 Q HN 0.714 nan 8.270 nan 0.000 0.378 644 S N 2.850 118.612 115.700 0.104 0.000 2.645 644 S HA 0.575 5.045 4.470 -0.000 0.000 0.266 644 S C 0.934 175.573 174.600 0.065 0.000 1.258 644 S CA -0.382 57.867 58.200 0.081 0.000 0.990 644 S CB 1.229 64.474 63.200 0.076 0.000 0.967 644 S HN 0.772 nan 8.310 nan 0.000 0.556 645 A N 0.581 123.435 122.820 0.056 0.000 1.930 645 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 645 A C 1.075 178.676 177.584 0.028 0.000 1.175 645 A CA 0.897 52.958 52.037 0.040 0.000 0.627 645 A CB -0.528 18.497 19.000 0.041 0.000 0.815 645 A HN 0.857 nan 8.150 nan 0.000 0.443 646 Q N -0.716 119.103 119.800 0.032 0.000 2.458 646 Q HA 0.480 4.820 4.340 -0.000 0.000 0.282 646 Q C -0.525 175.482 176.000 0.012 0.000 1.106 646 Q CA -0.528 55.285 55.803 0.018 0.000 0.814 646 Q CB 1.907 30.659 28.738 0.023 0.000 1.425 646 Q HN 0.423 nan 8.270 nan 0.000 0.437 647 S N 1.131 116.827 115.700 -0.007 0.000 2.572 647 S HA 0.185 4.655 4.470 -0.000 0.000 0.279 647 S C -0.328 174.246 174.600 -0.043 0.000 1.341 647 S CA -0.598 57.591 58.200 -0.019 0.000 1.043 647 S CB 0.692 63.872 63.200 -0.033 0.000 0.887 647 S HN 0.395 nan 8.310 nan 0.000 0.516 648 Q N 1.612 121.346 119.800 -0.109 0.000 2.333 648 Q HA 0.446 4.786 4.340 -0.000 0.000 0.267 648 Q C 1.057 176.842 176.000 -0.358 0.000 1.012 648 Q CA -0.598 55.053 55.803 -0.253 0.000 0.824 648 Q CB 1.788 30.244 28.738 -0.469 0.000 1.290 648 Q HN 0.807 nan 8.270 nan 0.000 0.449 649 I N 2.174 122.582 120.570 -0.269 0.000 2.151 649 I HA -0.380 3.790 4.170 -0.000 0.000 0.243 649 I C 2.325 178.159 176.117 -0.471 0.000 1.080 649 I CA 1.543 62.673 61.300 -0.284 0.000 1.339 649 I CB -0.241 37.646 38.000 -0.188 0.000 1.039 649 I HN 0.686 nan 8.210 nan 0.000 0.409 650 H N 0.450 119.221 119.070 -0.499 0.000 2.326 650 H HA -0.085 4.471 4.556 -0.001 0.000 0.301 650 H C 1.615 176.114 175.328 -1.382 0.000 1.081 650 H CA 1.414 56.804 56.048 -1.097 0.000 1.334 650 H CB -1.004 28.128 29.762 -1.049 0.000 1.385 650 H HN 0.367 nan 8.280 nan 0.000 0.504 651 N N 0.734 118.841 118.700 -0.988 0.000 2.120 651 N HA -0.105 4.635 4.740 -0.000 0.000 0.188 651 N C 1.926 177.289 175.510 -0.245 0.000 1.024 651 N CA 1.830 54.661 53.050 -0.365 0.000 0.852 651 N CB -0.598 37.815 38.487 -0.123 0.000 1.003 651 N HN 0.422 nan 8.380 nan 0.000 0.424 652 T N 1.009 115.431 114.554 -0.219 0.000 2.708 652 T HA -0.104 4.245 4.350 -0.000 0.000 0.266 652 T C 2.267 176.813 174.700 -0.257 0.000 1.037 652 T CA 1.049 63.137 62.100 -0.021 0.000 1.146 652 T CB -0.450 68.414 68.868 -0.006 0.000 0.865 652 T HN 0.332 nan 8.240 nan 0.000 0.435 653 C N 0.098 119.120 119.300 -0.464 0.000 2.446 653 C HA -0.043 4.417 4.460 -0.000 0.000 0.277 653 C C 2.551 177.172 174.990 -0.615 0.000 1.275 653 C CA -0.326 58.378 59.018 -0.523 0.000 1.727 653 C CB -1.356 26.033 27.740 -0.585 0.000 2.010 653 C HN 0.647 nan 8.230 nan 0.000 0.486 654 W N 1.226 122.077 121.300 -0.748 0.000 2.355 654 W HA -0.047 4.612 4.660 -0.000 0.000 0.309 654 W C 2.719 178.852 176.519 -0.644 0.000 1.206 654 W CA 1.238 58.045 57.345 -0.896 0.000 1.284 654 W CB -1.746 27.366 29.460 -0.580 0.000 1.145 654 W HN 0.364 nan 8.180 nan 0.000 0.502 655 A N 0.119 122.677 122.820 -0.437 0.000 1.877 655 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 655 A C 2.108 179.329 177.584 -0.604 0.000 1.186 655 A CA 2.272 53.867 52.037 -0.736 0.000 0.620 655 A CB -0.935 16.941 19.000 -1.873 0.000 0.822 655 A HN 0.215 nan 8.150 nan 0.000 0.443 656 M N -1.278 118.003 119.600 -0.532 0.000 2.080 656 M HA -0.171 4.309 4.480 -0.000 0.000 0.260 656 M C 2.446 178.643 176.300 -0.171 0.000 1.068 656 M CA 1.899 57.050 55.300 -0.249 0.000 1.109 656 M CB -0.443 32.074 32.600 -0.139 0.000 1.342 656 M HN 0.413 nan 8.290 nan 0.000 0.405 657 M N -0.467 118.958 119.600 -0.293 0.000 2.159 657 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 657 M C 2.269 178.533 176.300 -0.061 0.000 1.063 657 M CA 1.661 56.798 55.300 -0.271 0.000 1.110 657 M CB -0.813 31.381 32.600 -0.676 0.000 1.374 657 M HN 0.475 nan 8.290 nan 0.000 0.411 658 G N 0.383 109.176 108.800 -0.012 0.000 2.402 658 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.216 658 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.216 658 G C 1.485 176.431 174.900 0.077 0.000 1.162 658 G CA 0.461 45.631 45.100 0.116 0.000 0.777 658 G HN 0.326 nan 8.290 nan 0.000 0.539 659 L N -0.207 121.027 121.223 0.017 0.000 2.046 659 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 659 L C 3.092 180.044 176.870 0.136 0.000 1.077 659 L CA 1.104 55.983 54.840 0.065 0.000 0.747 659 L CB -0.310 41.747 42.059 -0.003 0.000 0.896 659 L HN 0.217 nan 8.230 nan 0.000 0.432 660 M N -0.900 118.768 119.600 0.114 0.000 2.175 660 M HA -0.158 4.322 4.480 -0.000 0.000 0.264 660 M C 2.546 178.910 176.300 0.106 0.000 1.063 660 M CA 1.623 57.004 55.300 0.135 0.000 1.119 660 M CB -0.449 32.225 32.600 0.123 0.000 1.377 660 M HN 0.329 nan 8.290 nan 0.000 0.415 661 A N 0.257 123.134 122.820 0.095 0.000 1.917 661 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 661 A C 1.887 179.547 177.584 0.126 0.000 1.182 661 A CA 2.034 54.127 52.037 0.093 0.000 0.633 661 A CB -1.046 18.002 19.000 0.081 0.000 0.819 661 A HN 0.473 nan 8.150 nan 0.000 0.448 662 V N -5.038 114.981 119.914 0.175 0.000 3.577 662 V HA 0.247 4.366 4.120 -0.000 0.000 0.294 662 V C 0.456 176.725 176.094 0.291 0.000 1.317 662 V CA 0.073 62.519 62.300 0.244 0.000 1.169 662 V CB -0.857 31.153 31.823 0.311 0.000 1.011 662 V HN 0.479 nan 8.190 nan 0.000 0.426 663 R N 0.558 121.182 120.500 0.207 0.000 3.416 663 R HA -0.221 4.119 4.340 -0.000 0.000 0.263 663 R C 0.328 176.700 176.300 0.121 0.000 1.053 663 R CA 1.043 57.247 56.100 0.174 0.000 0.705 663 R CB -3.009 27.381 30.300 0.149 0.000 1.124 663 R HN 0.894 nan 8.270 nan 0.000 0.444 664 H N 2.863 121.915 119.070 -0.030 0.000 3.034 664 H HA 0.025 4.581 4.556 -0.001 0.000 0.324 664 H C -1.089 174.094 175.328 -0.242 0.000 1.015 664 H CA -0.619 55.189 56.048 -0.399 0.000 1.429 664 H CB 1.143 30.748 29.762 -0.260 0.000 1.429 664 H HN 0.029 nan 8.280 nan 0.000 0.585 665 P HA -0.051 nan 4.420 nan 0.000 0.242 665 P C 0.251 177.497 177.300 -0.089 0.000 1.197 665 P CA 0.471 63.416 63.100 -0.258 0.000 0.765 665 P CB 0.231 31.759 31.700 -0.287 0.000 0.936 666 D N 0.373 120.823 120.400 0.084 0.000 2.558 666 D HA 0.128 4.768 4.640 -0.000 0.000 0.221 666 D C 1.311 177.678 176.300 0.112 0.000 1.143 666 D CA -0.348 53.740 54.000 0.147 0.000 1.010 666 D CB -0.588 40.372 40.800 0.266 0.000 1.068 666 D HN 0.036 nan 8.370 nan 0.000 0.511 667 I N 0.906 121.482 120.570 0.010 0.000 2.361 667 I HA -0.206 3.964 4.170 -0.000 0.000 0.251 667 I C 2.167 178.277 176.117 -0.011 0.000 1.133 667 I CA 0.778 62.026 61.300 -0.088 0.000 1.413 667 I CB 0.068 37.871 38.000 -0.329 0.000 1.073 667 I HN 0.291 nan 8.210 nan 0.000 0.424 668 E N 0.878 121.076 120.200 -0.003 0.000 2.110 668 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 668 E C 2.371 178.982 176.600 0.017 0.000 0.988 668 E CA 1.229 57.632 56.400 0.005 0.000 0.804 668 E CB -0.110 29.588 29.700 -0.002 0.000 0.745 668 E HN 0.536 nan 8.360 nan 0.000 0.458 669 A N 0.986 123.831 122.820 0.041 0.000 1.898 669 A HA -0.249 4.070 4.320 -0.000 0.000 0.216 669 A C 2.010 179.656 177.584 0.104 0.000 1.181 669 A CA 1.336 53.405 52.037 0.054 0.000 0.620 669 A CB -0.408 18.635 19.000 0.072 0.000 0.819 669 A HN 0.183 nan 8.150 nan 0.000 0.442 670 Q N -0.407 119.473 119.800 0.134 0.000 2.096 670 Q HA -0.218 4.121 4.340 -0.000 0.000 0.204 670 Q C 1.979 178.001 176.000 0.037 0.000 0.982 670 Q CA 1.771 57.676 55.803 0.170 0.000 0.850 670 Q CB -0.231 28.683 28.738 0.294 0.000 0.901 670 Q HN 0.754 nan 8.270 nan 0.000 0.422 671 E N 0.341 120.535 120.200 -0.010 0.000 2.153 671 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 671 E C 2.032 178.552 176.600 -0.134 0.000 0.988 671 E CA 0.652 56.947 56.400 -0.175 0.000 0.811 671 E CB -0.010 29.652 29.700 -0.063 0.000 0.746 671 E HN 0.261 nan 8.360 nan 0.000 0.466 672 R N -0.060 120.402 120.500 -0.062 0.000 2.096 672 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 672 R C 2.453 178.719 176.300 -0.057 0.000 1.127 672 R CA 1.085 57.146 56.100 -0.064 0.000 0.968 672 R CB -0.358 29.898 30.300 -0.074 0.000 0.861 672 R HN 0.181 nan 8.270 nan 0.000 0.440 673 G N 0.503 109.300 108.800 -0.004 0.000 2.404 673 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.215 673 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.215 673 G C 1.480 176.356 174.900 -0.040 0.000 1.174 673 G CA 0.536 45.666 45.100 0.051 0.000 0.780 673 G HN 0.099 nan 8.290 nan 0.000 0.537 674 V N 0.862 120.693 119.914 -0.137 0.000 2.252 674 V HA -0.259 3.861 4.120 -0.000 0.000 0.249 674 V C 2.964 178.992 176.094 -0.109 0.000 1.056 674 V CA 2.306 64.483 62.300 -0.206 0.000 1.022 674 V CB -0.507 31.011 31.823 -0.508 0.000 0.641 674 V HN 0.331 nan 8.190 nan 0.000 0.445 675 R N -1.082 119.357 120.500 -0.101 0.000 2.096 675 R HA -0.197 4.143 4.340 -0.000 0.000 0.235 675 R C 2.409 178.699 176.300 -0.016 0.000 1.127 675 R CA 1.667 57.740 56.100 -0.046 0.000 0.968 675 R CB -0.942 29.332 30.300 -0.042 0.000 0.861 675 R HN 0.618 nan 8.270 nan 0.000 0.440 676 C N 0.956 120.242 119.300 -0.024 0.000 2.413 676 C HA -0.075 4.385 4.460 -0.000 0.000 0.276 676 C C 2.491 177.498 174.990 0.028 0.000 1.248 676 C CA 0.791 59.804 59.018 -0.008 0.000 1.742 676 C CB -0.956 26.769 27.740 -0.025 0.000 2.017 676 C HN 0.428 nan 8.230 nan 0.000 0.481 677 L N 0.190 121.428 121.223 0.026 0.000 2.056 677 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 677 L C 2.662 179.693 176.870 0.269 0.000 1.078 677 L CA 1.292 56.186 54.840 0.090 0.000 0.749 677 L CB -0.656 41.387 42.059 -0.026 0.000 0.901 677 L HN 0.377 nan 8.230 nan 0.000 0.433 678 L N -0.291 121.023 121.223 0.152 0.000 2.046 678 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 678 L C 2.600 179.504 176.870 0.057 0.000 1.077 678 L CA 1.358 56.267 54.840 0.116 0.000 0.747 678 L CB -0.517 41.564 42.059 0.036 0.000 0.896 678 L HN 0.350 nan 8.230 nan 0.000 0.432 679 E N 0.524 120.753 120.200 0.048 0.000 2.204 679 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 679 E C 1.954 178.574 176.600 0.034 0.000 0.990 679 E CA 0.967 57.381 56.400 0.023 0.000 0.821 679 E CB 0.211 29.924 29.700 0.020 0.000 0.750 679 E HN 0.418 nan 8.360 nan 0.000 0.477 680 K N 0.289 120.752 120.400 0.104 0.000 2.305 680 K HA -0.018 4.302 4.320 -0.000 0.000 0.199 680 K C 0.879 177.509 176.600 0.051 0.000 1.047 680 K CA -0.053 56.318 56.287 0.140 0.000 0.976 680 K CB 0.129 32.780 32.500 0.253 0.000 0.765 680 K HN 0.100 nan 8.250 nan 0.000 0.474 681 Q N 1.537 121.266 119.800 -0.117 0.000 2.361 681 Q HA 0.053 4.393 4.340 -0.000 0.000 0.276 681 Q C -0.626 175.112 176.000 -0.437 0.000 1.022 681 Q CA -0.034 55.344 55.803 -0.708 0.000 0.898 681 Q CB 0.528 28.797 28.738 -0.782 0.000 1.246 681 Q HN 0.123 nan 8.270 nan 0.000 0.410 682 L N 5.407 126.336 121.223 -0.489 0.000 2.421 682 L HA 0.214 4.553 4.340 -0.000 0.000 0.263 682 L C -1.553 175.151 176.870 -0.276 0.000 1.122 682 L CA -1.977 52.685 54.840 -0.296 0.000 0.804 682 L CB 0.229 42.133 42.059 -0.259 0.000 1.150 682 L HN 0.642 nan 8.230 nan 0.000 0.457 683 P HA -0.175 nan 4.420 nan 0.000 0.216 683 P C 0.722 177.963 177.300 -0.098 0.000 1.150 683 P CA 1.305 64.339 63.100 -0.110 0.000 0.843 683 P CB -0.067 31.604 31.700 -0.049 0.000 0.787 684 N N -1.533 117.104 118.700 -0.105 0.000 2.461 684 N HA 0.044 4.784 4.740 -0.000 0.000 0.188 684 N C 1.271 176.713 175.510 -0.112 0.000 1.134 684 N CA 1.079 54.112 53.050 -0.028 0.000 0.878 684 N CB -0.849 37.697 38.487 0.099 0.000 0.972 684 N HN 0.237 nan 8.380 nan 0.000 0.456 685 G N -0.788 107.823 108.800 -0.315 0.000 2.213 685 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.226 685 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.226 685 G C -0.261 174.224 174.900 -0.692 0.000 0.992 685 G CA 0.150 45.013 45.100 -0.396 0.000 0.632 685 G HN 0.604 nan 8.290 nan 0.000 0.511 686 D N -0.596 119.224 120.400 -0.966 0.000 2.371 686 D HA 0.471 5.111 4.640 -0.000 0.000 0.242 686 D C 0.221 176.170 176.300 -0.585 0.000 1.218 686 D CA -0.130 53.299 54.000 -0.951 0.000 0.945 686 D CB 0.342 40.350 40.800 -1.320 0.000 1.137 686 D HN 0.213 nan 8.370 nan 0.000 0.464 687 W N 0.535 121.741 121.300 -0.156 0.000 2.781 687 W HA 0.313 4.973 4.660 -0.000 0.000 0.345 687 W C -1.963 174.546 176.519 -0.017 0.000 1.085 687 W CA -1.560 55.743 57.345 -0.069 0.000 1.198 687 W CB 1.487 30.925 29.460 -0.037 0.000 1.423 687 W HN 0.247 nan 8.180 nan 0.000 0.532 688 P HA 0.029 nan 4.420 nan 0.000 0.274 688 P C -0.780 176.612 177.300 0.153 0.000 1.231 688 P CA -0.112 63.073 63.100 0.143 0.000 0.790 688 P CB 1.046 32.812 31.700 0.109 0.000 0.951 689 Q N 1.271 121.136 119.800 0.109 0.000 2.304 689 Q HA 0.113 4.453 4.340 -0.000 0.000 0.260 689 Q C -0.126 175.914 176.000 0.068 0.000 0.965 689 Q CA 0.365 56.217 55.803 0.082 0.000 0.898 689 Q CB 0.535 29.281 28.738 0.013 0.000 1.196 689 Q HN 0.375 nan 8.270 nan 0.000 0.402 690 E N 2.409 122.667 120.200 0.098 0.000 3.508 690 E HA 0.327 4.676 4.350 -0.000 0.000 0.199 690 E C -0.619 176.052 176.600 0.117 0.000 0.811 690 E CA -0.992 55.472 56.400 0.107 0.000 1.314 690 E CB 0.485 30.255 29.700 0.116 0.000 1.856 690 E HN 0.556 nan 8.360 nan 0.000 0.373 691 N N 0.825 119.630 118.700 0.175 0.000 2.408 691 N HA 0.228 4.968 4.740 -0.000 0.000 0.260 691 N C -0.478 175.145 175.510 0.190 0.000 1.242 691 N CA -0.256 52.900 53.050 0.177 0.000 0.959 691 N CB 0.425 39.026 38.487 0.189 0.000 1.201 691 N HN 0.298 nan 8.380 nan 0.000 0.511 692 I N 0.561 121.207 120.570 0.127 0.000 2.588 692 I HA 0.085 4.255 4.170 -0.000 0.000 0.283 692 I C 0.889 177.040 176.117 0.056 0.000 1.119 692 I CA 0.068 61.402 61.300 0.057 0.000 1.419 692 I CB 0.841 38.839 38.000 -0.002 0.000 1.394 692 I HN 0.619 nan 8.210 nan 0.000 0.562 693 A N 5.775 128.564 122.820 -0.051 0.000 2.197 693 A HA 0.412 4.732 4.320 -0.000 0.000 0.210 693 A C 0.878 178.606 177.584 0.239 0.000 1.180 693 A CA 0.487 52.445 52.037 -0.132 0.000 0.846 693 A CB -0.219 18.563 19.000 -0.364 0.000 0.884 693 A HN 0.739 nan 8.150 nan 0.000 0.487 694 G N -1.166 107.825 108.800 0.318 0.000 2.434 694 G HA2 0.529 4.488 3.960 -0.000 0.000 0.330 694 G HA3 0.529 4.488 3.960 -0.000 0.000 0.330 694 G C -1.122 173.943 174.900 0.275 0.000 1.155 694 G CA -0.170 45.197 45.100 0.445 0.000 0.917 694 G HN 0.706 nan 8.290 nan 0.000 0.493 695 V N 0.657 120.722 119.914 0.252 0.000 3.087 695 V HA 0.865 4.985 4.120 -0.000 0.000 0.306 695 V C -1.757 174.412 176.094 0.126 0.000 1.187 695 V CA -1.040 61.329 62.300 0.115 0.000 0.999 695 V CB 1.939 33.762 31.823 -0.001 0.000 1.049 695 V HN 1.023 nan 8.190 nan 0.000 0.431 696 F N 2.013 121.940 119.950 -0.039 0.000 2.591 696 F HA 0.667 5.194 4.527 -0.001 0.000 0.309 696 F C -0.035 175.650 175.800 -0.192 0.000 1.098 696 F CA -0.766 57.105 58.000 -0.215 0.000 0.937 696 F CB 1.372 40.400 39.000 0.045 0.000 1.250 696 F HN 0.632 nan 8.300 nan 0.000 0.447 697 N N 2.176 120.750 118.700 -0.209 0.000 2.735 697 N HA -0.250 4.490 4.740 -0.000 0.000 0.248 697 N C 0.085 175.475 175.510 -0.200 0.000 1.083 697 N CA 0.881 53.848 53.050 -0.139 0.000 0.703 697 N CB -0.491 38.039 38.487 0.071 0.000 1.005 697 N HN 0.777 nan 8.380 nan 0.000 0.550 698 K N -4.163 116.058 120.400 -0.298 0.000 3.376 698 K HA -0.274 4.045 4.320 -0.000 0.000 0.326 698 K C 1.183 177.534 176.600 -0.415 0.000 0.744 698 K CA 2.246 58.323 56.287 -0.350 0.000 1.436 698 K CB -2.000 30.314 32.500 -0.310 0.000 1.298 698 K HN 0.638 nan 8.250 nan 0.000 0.463 699 S N -1.356 114.139 115.700 -0.342 0.000 2.604 699 S HA 0.216 4.686 4.470 -0.000 0.000 0.235 699 S C 0.622 175.289 174.600 0.111 0.000 1.043 699 S CA 0.135 58.216 58.200 -0.199 0.000 0.997 699 S CB 0.683 63.599 63.200 -0.473 0.000 0.956 699 S HN 0.378 nan 8.310 nan 0.000 0.535 700 C N 2.945 122.185 119.300 -0.099 0.000 2.345 700 C HA 0.862 5.322 4.460 -0.000 0.000 0.323 700 C C 0.552 175.155 174.990 -0.645 0.000 1.276 700 C CA -0.548 58.249 59.018 -0.369 0.000 1.543 700 C CB -0.037 27.418 27.740 -0.476 0.000 2.211 700 C HN 0.692 nan 8.230 nan 0.000 0.493 701 A N 5.560 127.725 122.820 -1.092 0.000 2.322 701 A HA 0.790 5.110 4.320 -0.000 0.000 0.269 701 A C -0.613 176.755 177.584 -0.360 0.000 1.094 701 A CA -0.335 51.212 52.037 -0.817 0.000 0.807 701 A CB 0.473 18.682 19.000 -1.318 0.000 1.047 701 A HN 1.078 nan 8.150 nan 0.000 0.487 702 I N 0.279 120.751 120.570 -0.163 0.000 2.827 702 I HA 0.369 4.539 4.170 -0.000 0.000 0.298 702 I C -0.388 175.606 176.117 -0.205 0.000 1.235 702 I CA -0.241 60.943 61.300 -0.193 0.000 1.021 702 I CB 2.277 40.170 38.000 -0.178 0.000 1.259 702 I HN 0.537 nan 8.210 nan 0.000 0.427 703 S N 5.285 120.813 115.700 -0.286 0.000 2.499 703 S HA 0.380 4.850 4.470 -0.000 0.000 0.275 703 S C -1.146 173.324 174.600 -0.217 0.000 1.257 703 S CA 0.002 58.104 58.200 -0.164 0.000 1.050 703 S CB 0.249 63.382 63.200 -0.111 0.000 0.937 703 S HN 0.375 nan 8.310 nan 0.000 0.490 704 Y N 2.027 122.299 120.300 -0.048 0.000 2.854 704 Y HA 0.212 4.762 4.550 -0.000 0.000 0.330 704 Y C 1.669 177.511 175.900 -0.097 0.000 1.037 704 Y CA -0.606 57.384 58.100 -0.183 0.000 1.263 704 Y CB 0.477 38.377 38.460 -0.934 0.000 1.120 704 Y HN 0.640 nan 8.280 nan 0.000 0.532 705 T N -0.233 114.405 114.554 0.140 0.000 2.720 705 T HA -0.176 4.173 4.350 -0.000 0.000 0.268 705 T C 1.926 176.799 174.700 0.289 0.000 1.037 705 T CA 2.066 64.283 62.100 0.195 0.000 1.144 705 T CB 0.023 68.996 68.868 0.175 0.000 0.864 705 T HN 0.480 nan 8.240 nan 0.000 0.444 706 S N -0.006 115.889 115.700 0.325 0.000 2.522 706 S HA 0.030 4.500 4.470 -0.000 0.000 0.227 706 S C 1.452 176.233 174.600 0.302 0.000 0.986 706 S CA 0.061 58.447 58.200 0.309 0.000 0.929 706 S CB -0.297 63.097 63.200 0.324 0.000 0.769 706 S HN 0.453 nan 8.310 nan 0.000 0.529 707 Y N 2.673 123.132 120.300 0.265 0.000 2.256 707 Y HA -0.142 4.408 4.550 -0.000 0.000 0.288 707 Y C 2.352 178.336 175.900 0.140 0.000 1.155 707 Y CA 0.763 59.062 58.100 0.333 0.000 1.203 707 Y CB -0.675 38.077 38.460 0.487 0.000 0.980 707 Y HN 0.419 nan 8.280 nan 0.000 0.530 708 R N -0.297 120.356 120.500 0.255 0.000 2.280 708 R HA -0.027 4.313 4.340 -0.000 0.000 0.207 708 R C 1.213 177.515 176.300 0.002 0.000 1.043 708 R CA 1.252 57.419 56.100 0.112 0.000 1.006 708 R CB -0.234 30.185 30.300 0.198 0.000 0.885 708 R HN 0.271 nan 8.270 nan 0.000 0.467 709 N N 0.984 119.655 118.700 -0.050 0.000 2.511 709 N HA 0.099 4.839 4.740 -0.000 0.000 0.190 709 N C 1.962 177.179 175.510 -0.490 0.000 1.037 709 N CA 0.569 53.504 53.050 -0.191 0.000 0.895 709 N CB 0.048 38.306 38.487 -0.381 0.000 1.149 709 N HN 0.100 nan 8.380 nan 0.000 0.437 710 I N 0.910 121.098 120.570 -0.637 0.000 2.151 710 I HA -0.275 3.894 4.170 -0.000 0.000 0.243 710 I C 1.859 177.630 176.117 -0.576 0.000 1.080 710 I CA 1.607 62.487 61.300 -0.699 0.000 1.339 710 I CB -0.267 37.314 38.000 -0.699 0.000 1.039 710 I HN -0.013 nan 8.210 nan 0.000 0.409 711 F N 0.122 119.895 119.950 -0.295 0.000 2.234 711 F HA -0.039 4.488 4.527 -0.000 0.000 0.296 711 F C -0.401 175.154 175.800 -0.409 0.000 1.089 711 F CA 0.863 58.660 58.000 -0.338 0.000 1.343 711 F CB -1.678 37.033 39.000 -0.481 0.000 1.040 711 F HN 0.065 nan 8.300 nan 0.000 0.498 712 P HA -0.171 nan 4.420 nan 0.000 0.215 712 P C 1.684 178.762 177.300 -0.370 0.000 1.153 712 P CA 1.565 64.257 63.100 -0.680 0.000 0.853 712 P CB -0.039 30.604 31.700 -1.762 0.000 0.788 713 I N -2.093 118.299 120.570 -0.295 0.000 2.163 713 I HA -0.251 3.918 4.170 -0.000 0.000 0.243 713 I C 2.411 178.520 176.117 -0.013 0.000 1.085 713 I CA 1.358 62.600 61.300 -0.097 0.000 1.347 713 I CB -0.709 37.202 38.000 -0.148 0.000 1.044 713 I HN 0.081 nan 8.210 nan 0.000 0.408 714 W N 1.744 122.889 121.300 -0.257 0.000 2.355 714 W HA -0.183 4.477 4.660 -0.000 0.000 0.309 714 W C 2.650 179.098 176.519 -0.117 0.000 1.206 714 W CA 1.904 59.126 57.345 -0.205 0.000 1.284 714 W CB -0.557 28.721 29.460 -0.302 0.000 1.145 714 W HN 0.135 nan 8.180 nan 0.000 0.502 715 A N -0.160 122.718 122.820 0.097 0.000 1.897 715 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 715 A C 2.254 179.896 177.584 0.096 0.000 1.181 715 A CA 1.479 53.519 52.037 0.005 0.000 0.620 715 A CB -0.989 17.933 19.000 -0.130 0.000 0.821 715 A HN 0.257 nan 8.150 nan 0.000 0.443 716 L N -0.735 120.533 121.223 0.074 0.000 2.093 716 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 716 L C 2.802 179.807 176.870 0.225 0.000 1.085 716 L CA 0.993 55.917 54.840 0.139 0.000 0.755 716 L CB -0.708 41.415 42.059 0.108 0.000 0.904 716 L HN 0.490 nan 8.230 nan 0.000 0.435 717 G N -0.278 108.633 108.800 0.184 0.000 2.404 717 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.215 717 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.215 717 G C 1.716 176.743 174.900 0.212 0.000 1.174 717 G CA 0.618 45.837 45.100 0.197 0.000 0.780 717 G HN 0.232 nan 8.290 nan 0.000 0.537 718 R N -0.648 119.983 120.500 0.218 0.000 2.083 718 R HA -0.103 4.236 4.340 -0.000 0.000 0.237 718 R C 2.259 178.648 176.300 0.149 0.000 1.137 718 R CA 1.645 57.849 56.100 0.173 0.000 0.951 718 R CB -0.515 29.879 30.300 0.158 0.000 0.851 718 R HN 0.346 nan 8.270 nan 0.000 0.434 719 F N 1.202 121.215 119.950 0.105 0.000 2.102 719 F HA -0.237 4.290 4.527 -0.001 0.000 0.298 719 F C 2.568 178.471 175.800 0.170 0.000 1.105 719 F CA 2.040 60.143 58.000 0.172 0.000 1.239 719 F CB -0.505 38.619 39.000 0.207 0.000 0.991 719 F HN 0.165 nan 8.300 nan 0.000 0.474 720 S N -0.416 115.500 115.700 0.359 0.000 2.399 720 S HA -0.228 4.242 4.470 -0.000 0.000 0.231 720 S C 1.904 176.559 174.600 0.093 0.000 1.022 720 S CA 1.269 59.631 58.200 0.269 0.000 0.983 720 S CB -0.713 62.708 63.200 0.368 0.000 0.803 720 S HN 0.662 nan 8.310 nan 0.000 0.480 721 Q N 0.423 120.259 119.800 0.059 0.000 2.079 721 Q HA 0.105 4.445 4.340 -0.000 0.000 0.200 721 Q C 2.284 178.199 176.000 -0.141 0.000 0.974 721 Q CA 1.379 57.183 55.803 0.000 0.000 0.840 721 Q CB -0.275 28.486 28.738 0.039 0.000 0.898 721 Q HN 0.576 nan 8.270 nan 0.000 0.430 722 L N -0.937 120.084 121.223 -0.336 0.000 2.156 722 L HA -0.102 4.237 4.340 -0.000 0.000 0.208 722 L C 0.412 176.796 176.870 -0.809 0.000 1.095 722 L CA 0.875 55.311 54.840 -0.673 0.000 0.770 722 L CB 0.154 41.563 42.059 -1.083 0.000 0.914 722 L HN 0.237 nan 8.230 nan 0.000 0.439 723 Y N -1.329 118.793 120.300 -0.296 0.000 2.480 723 Y HA 0.244 4.794 4.550 -0.001 0.000 0.356 723 Y C -1.605 174.203 175.900 -0.153 0.000 0.922 723 Y CA -1.683 56.247 58.100 -0.284 0.000 1.146 723 Y CB 0.068 38.205 38.460 -0.538 0.000 1.185 723 Y HN -0.028 nan 8.280 nan 0.000 0.624 724 P HA -0.215 nan 4.420 nan 0.000 0.225 724 P C 1.135 178.511 177.300 0.126 0.000 1.148 724 P CA 1.481 64.621 63.100 0.066 0.000 0.779 724 P CB 0.474 32.198 31.700 0.040 0.000 0.780 725 E N 0.642 120.908 120.200 0.111 0.000 2.358 725 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 725 E C 0.651 177.323 176.600 0.120 0.000 1.010 725 E CA 0.356 56.833 56.400 0.128 0.000 0.856 725 E CB -0.347 29.409 29.700 0.092 0.000 0.795 725 E HN 0.260 nan 8.360 nan 0.000 0.504 726 R N 0.403 120.962 120.500 0.098 0.000 2.441 726 R HA 0.419 4.759 4.340 -0.000 0.000 0.284 726 R C 1.138 177.461 176.300 0.038 0.000 1.070 726 R CA 0.352 56.502 56.100 0.083 0.000 1.047 726 R CB 1.129 31.495 30.300 0.111 0.000 1.016 726 R HN 0.120 nan 8.270 nan 0.000 0.477 727 A N 3.863 126.688 122.820 0.009 0.000 1.908 727 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 727 A C 1.917 179.499 177.584 -0.004 0.000 1.181 727 A CA 1.234 53.232 52.037 -0.064 0.000 0.627 727 A CB -0.445 18.546 19.000 -0.015 0.000 0.818 727 A HN 0.753 nan 8.150 nan 0.000 0.445 728 L N -0.917 120.365 121.223 0.099 0.000 2.265 728 L HA -0.160 4.180 4.340 -0.000 0.000 0.215 728 L C 2.803 179.830 176.870 0.263 0.000 1.117 728 L CA 1.122 56.046 54.840 0.140 0.000 0.782 728 L CB -0.457 41.664 42.059 0.104 0.000 0.914 728 L HN 0.477 nan 8.230 nan 0.000 0.441 729 A N -0.409 122.638 122.820 0.379 0.000 1.933 729 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 729 A C 1.687 179.421 177.584 0.250 0.000 1.175 729 A CA 1.364 53.651 52.037 0.417 0.000 0.628 729 A CB -0.610 18.551 19.000 0.268 0.000 0.814 729 A HN 0.610 nan 8.150 nan 0.000 0.444 730 G N -2.398 106.445 108.800 0.072 0.000 2.140 730 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.211 730 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.211 730 G C 0.113 174.981 174.900 -0.055 0.000 1.013 730 G CA 0.250 45.370 45.100 0.033 0.000 0.705 730 G HN 1.158 nan 8.290 nan 0.000 0.508 731 H N -1.576 117.500 119.070 0.009 0.000 2.677 731 H HA -0.124 4.432 4.556 -0.001 0.000 0.321 731 H C -1.525 173.690 175.328 -0.188 0.000 1.171 731 H CA 1.642 57.648 56.048 -0.071 0.000 1.139 731 H CB -1.586 28.130 29.762 -0.077 0.000 1.515 731 H HN 0.798 nan 8.280 nan 0.000 0.423 732 P HA 0.000 nan 4.420 nan 0.000 0.216 732 P CA 0.000 63.024 63.100 -0.127 0.000 0.800 732 P CB 0.000 31.708 31.700 0.013 0.000 0.726