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 3m4y_1_A DATA FIRST_RESID 23 DATA SEQUENCE AKMYEVVRVG ELGLIGEIIR LEGDKAVIQV YEETAGVRPG EPVVGTGASL DATA SEQUENCE SVELGPGLLT SIYDGIQRPL EVIREKTGDF IARGVTAPAL PRDKKWHFIP DATA SEQUENCE KAKVGDKVVG GDIIGEVPET SIIVHKIMVP PGIEGEIVEI AEEGDYTIEE DATA SEQUENCE VIAKVKTPSG EIKELKMYQR WPVRVKRPYK EKLPPEVPLI TGQRVIDTFF DATA SEQUENCE PQAKGGTAAI PGAFGSGKTV TQHQLAKWSD AQVVIYIGCG ERGNEMTDVL DATA SEQUENCE EEFPKLKDPK TGKPLMERTV LIANTSNMPV AAREASIYTG ITIAEYFRDM DATA SEQUENCE GYDVALMADS TSRWAEALRE ISGRXXXXXX XXGYPAYLAS KLAEFYERAG DATA SEQUENCE RVVTLGSDYR VGSVSVIGAV SPPGGDFSEP VVQNTLRVVK VFWALDADLA DATA SEQUENCE RRRHFPAINW LTSYSLYVDA VKDWWHKNID PEWKAMRDKA MALLQKESEL DATA SEQUENCE QEIVRIVGPD ALPERERAIL LVARMLREDY LQQDAFDEVD TYCPPEKQVT DATA SEQUENCE MMRVLLNFYD KTMEAINRGV PLEEIAKLPV REEIGRMKFE RDVSKIRSLI DATA SEQUENCE DKTNEQFEEL FKKYGA 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 23 A HA 0.000 nan 4.320 nan 0.000 0.244 23 A C 0.000 177.597 177.584 0.022 0.000 1.274 23 A CA 0.000 52.043 52.037 0.010 0.000 0.836 23 A CB 0.000 19.007 19.000 0.012 0.000 0.831 24 K N 2.591 123.009 120.400 0.030 0.000 2.248 24 K HA 0.313 4.635 4.320 0.003 0.000 0.281 24 K C 0.489 177.156 176.600 0.112 0.000 1.054 24 K CA -0.716 55.603 56.287 0.053 0.000 0.903 24 K CB 0.763 33.290 32.500 0.046 0.000 1.077 24 K HN 0.762 nan 8.250 nan 0.000 0.474 25 M N 3.927 123.590 119.600 0.105 0.000 2.686 25 M HA -0.114 4.367 4.480 0.003 0.000 0.246 25 M C 0.024 176.437 176.300 0.189 0.000 1.096 25 M CA 0.380 55.757 55.300 0.127 0.000 1.076 25 M CB -1.147 31.475 32.600 0.037 0.000 1.504 25 M HN 0.626 nan 8.290 nan 0.000 0.524 26 Y N 1.685 121.980 120.300 -0.007 0.000 2.933 26 Y HA -0.277 4.275 4.550 0.003 0.000 0.217 26 Y C 0.588 176.486 175.900 -0.004 0.000 1.119 26 Y CA 0.340 58.438 58.100 -0.005 0.000 0.949 26 Y CB -2.654 35.804 38.460 -0.004 0.000 1.159 26 Y HN 0.422 nan 8.280 nan 0.000 0.511 27 E N -0.368 119.736 120.200 -0.160 0.000 2.501 27 E HA 0.178 4.529 4.350 0.003 0.000 0.203 27 E C 0.446 176.937 176.600 -0.181 0.000 1.072 27 E CA 0.917 57.193 56.400 -0.207 0.000 0.885 27 E CB -0.105 29.534 29.700 -0.102 0.000 0.813 27 E HN 0.522 nan 8.360 nan 0.000 0.556 28 V N -0.600 119.239 119.914 -0.126 0.000 3.188 28 V HA 0.352 4.473 4.120 0.003 0.000 0.305 28 V C -1.110 175.000 176.094 0.026 0.000 1.232 28 V CA -1.249 61.014 62.300 -0.061 0.000 1.043 28 V CB 2.429 34.241 31.823 -0.018 0.000 1.068 28 V HN -0.014 nan 8.190 nan 0.000 0.439 29 V N 4.903 124.847 119.914 0.050 0.000 2.583 29 V HA 0.456 4.578 4.120 0.003 0.000 0.287 29 V C 0.687 176.822 176.094 0.069 0.000 1.051 29 V CA -0.310 62.049 62.300 0.099 0.000 1.010 29 V CB 1.177 33.052 31.823 0.087 0.000 0.988 29 V HN 0.901 nan 8.190 nan 0.000 0.478 30 R N 4.714 125.257 120.500 0.072 0.000 2.903 30 R HA 0.085 4.426 4.340 0.003 0.000 0.315 30 R C 0.121 176.445 176.300 0.040 0.000 1.219 30 R CA 0.133 56.263 56.100 0.049 0.000 0.977 30 R CB -0.268 30.058 30.300 0.042 0.000 1.042 30 R HN 0.713 nan 8.270 nan 0.000 0.466 31 V N -0.279 119.657 119.914 0.037 0.000 3.914 31 V HA 0.260 4.382 4.120 0.003 0.000 0.187 31 V C 1.295 177.408 176.094 0.032 0.000 1.258 31 V CA 0.718 63.038 62.300 0.034 0.000 1.298 31 V CB 0.672 32.516 31.823 0.036 0.000 1.453 31 V HN 0.682 nan 8.190 nan 0.000 0.553 32 G N -0.507 108.312 108.800 0.032 0.000 3.873 32 G HA2 0.469 4.431 3.960 0.003 0.000 0.232 32 G HA3 0.469 4.431 3.960 0.003 0.000 0.232 32 G C -0.149 174.770 174.900 0.031 0.000 1.097 32 G CA 0.481 45.600 45.100 0.032 0.000 0.889 32 G HN 0.368 nan 8.290 nan 0.000 0.532 33 E N -0.360 119.857 120.200 0.028 0.000 2.500 33 E HA 0.362 4.713 4.350 0.003 0.000 0.288 33 E C -1.932 174.681 176.600 0.021 0.000 1.147 33 E CA -0.706 55.710 56.400 0.027 0.000 0.916 33 E CB 1.299 31.019 29.700 0.033 0.000 1.181 33 E HN 0.278 nan 8.360 nan 0.000 0.433 34 L N -0.534 120.700 121.223 0.019 0.000 2.466 34 L HA 0.823 5.164 4.340 0.003 0.000 0.258 34 L C 0.007 176.885 176.870 0.013 0.000 0.973 34 L CA -1.106 53.742 54.840 0.012 0.000 0.826 34 L CB 1.766 43.832 42.059 0.012 0.000 1.372 34 L HN 0.533 nan 8.230 nan 0.000 0.409 35 G N 2.377 111.182 108.800 0.008 0.000 2.444 35 G HA2 0.546 4.507 3.960 0.003 0.000 0.303 35 G HA3 0.546 4.507 3.960 0.003 0.000 0.303 35 G C -0.546 174.359 174.900 0.009 0.000 1.032 35 G CA -0.327 44.781 45.100 0.013 0.000 1.137 35 G HN 0.459 nan 8.290 nan 0.000 0.430 36 L N 2.797 124.027 121.223 0.011 0.000 2.276 36 L HA 0.419 4.761 4.340 0.003 0.000 0.286 36 L C -0.226 176.649 176.870 0.008 0.000 1.061 36 L CA -0.590 54.253 54.840 0.005 0.000 0.807 36 L CB 1.531 43.586 42.059 -0.006 0.000 1.177 36 L HN 0.315 nan 8.230 nan 0.000 0.429 37 I N 2.771 123.343 120.570 0.004 0.000 2.355 37 I HA 0.459 4.631 4.170 0.003 0.000 0.288 37 I C 0.880 176.998 176.117 0.001 0.000 0.999 37 I CA 0.143 61.447 61.300 0.005 0.000 1.163 37 I CB 1.440 39.440 38.000 0.000 0.000 1.316 37 I HN 0.599 nan 8.210 nan 0.000 0.454 38 G N 3.825 112.628 108.800 0.005 0.000 2.525 38 G HA2 0.266 4.228 3.960 0.003 0.000 0.287 38 G HA3 0.266 4.228 3.960 0.003 0.000 0.287 38 G C 0.553 175.453 174.900 0.001 0.000 1.350 38 G CA -0.271 44.829 45.100 0.000 0.000 1.039 38 G HN 0.670 nan 8.290 nan 0.000 0.513 39 E N -0.967 119.233 120.200 0.000 0.000 2.038 39 E HA -0.143 4.208 4.350 0.003 0.000 0.195 39 E C 1.799 178.400 176.600 0.002 0.000 1.000 39 E CA 1.509 57.909 56.400 -0.000 0.000 0.803 39 E CB -0.080 29.619 29.700 -0.001 0.000 0.750 39 E HN 0.409 nan 8.360 nan 0.000 0.448 40 I N -0.709 119.866 120.570 0.008 0.000 4.403 40 I HA 0.145 4.317 4.170 0.003 0.000 0.331 40 I C -0.307 175.819 176.117 0.015 0.000 1.327 40 I CA -0.220 61.086 61.300 0.009 0.000 1.175 40 I CB 0.642 38.648 38.000 0.010 0.000 1.165 40 I HN -0.005 nan 8.210 nan 0.000 0.413 41 I N 0.247 120.829 120.570 0.020 0.000 2.465 41 I HA 0.590 4.761 4.170 0.003 0.000 0.291 41 I C -0.303 175.832 176.117 0.030 0.000 1.014 41 I CA -1.081 60.236 61.300 0.029 0.000 1.093 41 I CB 1.304 39.328 38.000 0.040 0.000 1.267 41 I HN -0.015 nan 8.210 nan 0.000 0.431 42 R N 6.875 127.396 120.500 0.034 0.000 2.338 42 R HA 0.739 5.081 4.340 0.003 0.000 0.317 42 R C -0.880 175.447 176.300 0.045 0.000 0.968 42 R CA -0.834 55.287 56.100 0.035 0.000 0.849 42 R CB 1.645 31.968 30.300 0.039 0.000 1.128 42 R HN 0.913 nan 8.270 nan 0.000 0.448 43 L N 1.664 122.912 121.223 0.041 0.000 1.797 43 L HA -0.145 4.197 4.340 0.003 0.000 0.591 43 L C -1.506 175.395 176.870 0.052 0.000 0.999 43 L CA 0.691 55.558 54.840 0.046 0.000 1.261 43 L CB -0.385 41.709 42.059 0.057 0.000 2.063 43 L HN 1.042 nan 8.230 nan 0.000 1.047 44 E N 1.756 121.985 120.200 0.048 0.000 2.456 44 E HA 0.897 5.249 4.350 0.003 0.000 0.278 44 E C -0.064 176.561 176.600 0.042 0.000 1.034 44 E CA -0.147 56.292 56.400 0.063 0.000 0.846 44 E CB 1.848 31.598 29.700 0.083 0.000 1.460 44 E HN 0.767 nan 8.360 nan 0.000 0.463 45 G N 0.060 108.887 108.800 0.045 0.000 2.696 45 G HA2 0.604 4.566 3.960 0.003 0.000 0.295 45 G HA3 0.604 4.566 3.960 0.003 0.000 0.295 45 G C -1.690 173.223 174.900 0.023 0.000 1.398 45 G CA -0.462 44.657 45.100 0.031 0.000 0.920 45 G HN 0.568 nan 8.290 nan 0.000 0.492 46 D N -1.103 119.306 120.400 0.014 0.000 2.636 46 D HA 0.504 5.146 4.640 0.003 0.000 0.275 46 D C 0.756 177.065 176.300 0.014 0.000 1.130 46 D CA -0.766 53.239 54.000 0.008 0.000 1.031 46 D CB 2.027 42.822 40.800 -0.009 0.000 1.451 46 D HN 0.339 nan 8.370 nan 0.000 0.505 47 K N -0.201 120.207 120.400 0.012 0.000 2.266 47 K HA 0.289 4.611 4.320 0.003 0.000 0.209 47 K C 1.402 178.010 176.600 0.013 0.000 1.065 47 K CA 0.744 57.041 56.287 0.016 0.000 0.946 47 K CB -0.188 32.323 32.500 0.018 0.000 1.069 47 K HN 0.485 nan 8.250 nan 0.000 0.472 48 A N 0.529 123.353 122.820 0.007 0.000 1.896 48 A HA 0.181 4.503 4.320 0.003 0.000 0.213 48 A C 1.635 179.219 177.584 0.000 0.000 1.306 48 A CA 1.348 53.388 52.037 0.005 0.000 0.626 48 A CB 0.132 19.134 19.000 0.004 0.000 0.994 48 A HN 0.167 nan 8.150 nan 0.000 0.475 49 V N -0.808 119.101 119.914 -0.008 0.000 3.410 49 V HA 0.176 4.298 4.120 0.003 0.000 0.257 49 V C -0.617 175.457 176.094 -0.034 0.000 1.757 49 V CA 0.247 62.537 62.300 -0.018 0.000 1.047 49 V CB -0.042 31.772 31.823 -0.015 0.000 0.915 49 V HN 0.503 nan 8.190 nan 0.000 0.371 50 I N 2.596 123.148 120.570 -0.030 0.000 2.517 50 I HA 0.541 4.712 4.170 0.003 0.000 0.285 50 I C -0.096 175.995 176.117 -0.045 0.000 1.106 50 I CA 0.085 61.359 61.300 -0.043 0.000 1.402 50 I CB 0.539 38.525 38.000 -0.023 0.000 1.399 50 I HN 0.450 nan 8.210 nan 0.000 0.535 51 Q N 5.976 125.722 119.800 -0.090 0.000 2.333 51 Q HA 0.595 4.937 4.340 0.003 0.000 0.268 51 Q C -0.557 175.417 176.000 -0.043 0.000 1.007 51 Q CA -1.027 54.729 55.803 -0.078 0.000 0.810 51 Q CB 1.793 30.467 28.738 -0.106 0.000 1.264 51 Q HN 0.664 nan 8.270 nan 0.000 0.452 52 V N 1.139 121.100 119.914 0.078 0.000 2.740 52 V HA 0.483 4.605 4.120 0.003 0.000 0.303 52 V C -0.680 175.601 176.094 0.312 0.000 1.054 52 V CA -0.455 61.980 62.300 0.225 0.000 1.106 52 V CB -0.645 31.247 31.823 0.114 0.000 0.957 52 V HN 0.757 nan 8.190 nan 0.000 0.486 53 Y N 0.445 120.727 120.300 -0.029 0.000 2.492 53 Y HA 0.622 5.174 4.550 0.003 0.000 0.346 53 Y C 0.609 176.485 175.900 -0.040 0.000 0.997 53 Y CA -1.983 56.100 58.100 -0.028 0.000 1.025 53 Y CB 1.428 39.874 38.460 -0.022 0.000 1.263 53 Y HN 0.732 nan 8.280 nan 0.000 0.454 54 E N 1.319 121.551 120.200 0.053 0.000 2.060 54 E HA -0.013 4.338 4.350 0.003 0.000 0.189 54 E C -0.424 176.151 176.600 -0.041 0.000 0.974 54 E CA 0.477 56.855 56.400 -0.035 0.000 0.808 54 E CB 0.277 29.966 29.700 -0.019 0.000 0.768 54 E HN 0.712 nan 8.360 nan 0.000 0.453 55 E N 1.619 121.840 120.200 0.035 0.000 2.257 55 E HA 0.029 4.380 4.350 0.003 0.000 0.278 55 E C 0.714 177.362 176.600 0.080 0.000 1.049 55 E CA 0.057 56.483 56.400 0.043 0.000 0.876 55 E CB 1.574 31.314 29.700 0.066 0.000 1.035 55 E HN 0.195 nan 8.360 nan 0.000 0.419 56 T N 2.014 116.562 114.554 -0.009 0.000 2.699 56 T HA -0.075 4.277 4.350 0.003 0.000 0.268 56 T C 0.932 175.725 174.700 0.155 0.000 1.036 56 T CA 1.088 63.147 62.100 -0.067 0.000 1.147 56 T CB -0.208 68.613 68.868 -0.078 0.000 0.862 56 T HN 0.819 nan 8.240 nan 0.000 0.446 57 A N -0.042 122.876 122.820 0.164 0.000 6.560 57 A HA 0.271 4.593 4.320 0.003 0.000 0.337 57 A C 0.528 178.194 177.584 0.136 0.000 1.915 57 A CA 0.086 52.227 52.037 0.173 0.000 0.634 57 A CB -1.288 17.845 19.000 0.221 0.000 1.742 57 A HN 1.280 nan 8.150 nan 0.000 0.412 58 G N -1.030 107.817 108.800 0.077 0.000 4.138 58 G HA2 0.649 4.610 3.960 0.003 0.000 0.335 58 G HA3 0.649 4.610 3.960 0.003 0.000 0.335 58 G C 0.005 174.915 174.900 0.017 0.000 1.517 58 G CA 0.684 45.814 45.100 0.050 0.000 0.960 58 G HN 2.402 nan 8.290 nan 0.000 0.493 59 V N 2.099 122.017 119.914 0.007 0.000 3.099 59 V HA -0.113 4.009 4.120 0.003 0.000 0.272 59 V C 0.851 176.920 176.094 -0.040 0.000 1.559 59 V CA 1.309 63.580 62.300 -0.047 0.000 1.518 59 V CB -0.303 31.497 31.823 -0.038 0.000 0.834 59 V HN 1.097 nan 8.190 nan 0.000 0.466 60 R N 2.366 122.830 120.500 -0.059 0.000 2.950 60 R HA -0.077 4.265 4.340 0.003 0.000 0.270 60 R C -2.405 173.875 176.300 -0.033 0.000 1.034 60 R CA 0.689 56.764 56.100 -0.043 0.000 0.668 60 R CB -1.957 28.326 30.300 -0.029 0.000 1.350 60 R HN 0.819 nan 8.270 nan 0.000 0.384 61 P HA 0.355 nan 4.420 nan 0.000 0.323 61 P C 0.316 177.602 177.300 -0.024 0.000 1.309 61 P CA -0.331 62.753 63.100 -0.027 0.000 0.739 61 P CB 0.403 32.086 31.700 -0.028 0.000 1.454 62 G N -0.625 108.164 108.800 -0.018 0.000 2.441 62 G HA2 0.327 4.288 3.960 0.003 0.000 0.243 62 G HA3 0.327 4.288 3.960 0.003 0.000 0.243 62 G C -0.850 174.041 174.900 -0.016 0.000 1.281 62 G CA 0.049 45.140 45.100 -0.015 0.000 0.854 62 G HN 0.493 nan 8.290 nan 0.000 0.560 63 E N 0.105 120.297 120.200 -0.014 0.000 7.423 63 E HA -0.142 4.209 4.350 0.003 0.000 0.390 63 E C -2.266 174.323 176.600 -0.019 0.000 0.628 63 E CA 0.492 56.884 56.400 -0.013 0.000 1.042 63 E CB -0.461 29.234 29.700 -0.008 0.000 0.940 63 E HN 0.469 nan 8.360 nan 0.000 0.271 64 P HA -0.074 nan 4.420 nan 0.000 0.212 64 P C -0.374 176.907 177.300 -0.031 0.000 1.069 64 P CA 0.594 63.680 63.100 -0.022 0.000 1.331 64 P CB -0.525 31.165 31.700 -0.017 0.000 1.513 65 V N 1.857 121.745 119.914 -0.042 0.000 2.444 65 V HA 0.508 4.629 4.120 0.003 0.000 0.294 65 V C -0.213 175.830 176.094 -0.086 0.000 1.022 65 V CA -1.165 61.098 62.300 -0.062 0.000 0.850 65 V CB 2.045 33.828 31.823 -0.067 0.000 0.992 65 V HN 0.140 nan 8.190 nan 0.000 0.426 66 V N 5.766 125.624 119.914 -0.093 0.000 2.398 66 V HA 0.880 5.002 4.120 0.003 0.000 0.286 66 V C 0.969 176.956 176.094 -0.180 0.000 1.026 66 V CA 0.656 62.891 62.300 -0.108 0.000 0.868 66 V CB 1.130 32.914 31.823 -0.065 0.000 0.982 66 V HN 1.303 nan 8.190 nan 0.000 0.443 67 G N 4.326 112.967 108.800 -0.266 0.000 2.631 67 G HA2 0.462 4.423 3.960 0.003 0.000 0.271 67 G HA3 0.462 4.423 3.960 0.003 0.000 0.271 67 G C -0.041 174.749 174.900 -0.184 0.000 1.302 67 G CA 0.579 45.378 45.100 -0.501 0.000 1.002 67 G HN 0.997 nan 8.290 nan 0.000 0.519 68 T N -3.013 111.551 114.554 0.016 0.000 2.618 68 T HA 0.509 4.861 4.350 0.003 0.000 0.293 68 T C 1.690 176.560 174.700 0.283 0.000 1.093 68 T CA 0.820 63.023 62.100 0.171 0.000 1.061 68 T CB 0.661 69.602 68.868 0.122 0.000 1.498 68 T HN 0.818 nan 8.240 nan 0.000 0.494 69 G N 0.787 109.673 108.800 0.142 0.000 2.631 69 G HA2 0.128 4.089 3.960 0.003 0.000 0.219 69 G HA3 0.128 4.089 3.960 0.003 0.000 0.219 69 G C 0.941 175.844 174.900 0.005 0.000 1.214 69 G CA 2.305 47.444 45.100 0.064 0.000 0.785 69 G HN 1.424 nan 8.290 nan 0.000 0.596 70 A N -2.902 119.915 122.820 -0.004 0.000 3.479 70 A HA 0.340 4.661 4.320 0.003 0.000 0.114 70 A C 0.741 178.248 177.584 -0.129 0.000 1.320 70 A CA 0.833 52.717 52.037 -0.255 0.000 1.360 70 A CB -0.779 18.015 19.000 -0.344 0.000 1.111 70 A HN 0.968 nan 8.150 nan 0.000 0.505 71 S N 0.813 116.442 115.700 -0.118 0.000 2.562 71 S HA 0.578 5.049 4.470 0.003 0.000 0.275 71 S C -0.322 174.251 174.600 -0.044 0.000 1.281 71 S CA -0.316 57.816 58.200 -0.112 0.000 1.045 71 S CB 1.533 64.629 63.200 -0.174 0.000 0.962 71 S HN 1.007 nan 8.310 nan 0.000 0.503 72 L N 3.793 124.998 121.223 -0.030 0.000 2.456 72 L HA 0.370 4.712 4.340 0.003 0.000 0.277 72 L C 0.225 177.083 176.870 -0.020 0.000 1.124 72 L CA 0.684 55.520 54.840 -0.007 0.000 0.880 72 L CB -0.341 41.724 42.059 0.009 0.000 1.192 72 L HN 0.911 nan 8.230 nan 0.000 0.463 73 S N 4.038 119.732 115.700 -0.011 0.000 2.697 73 S HA 0.908 5.380 4.470 0.003 0.000 0.289 73 S C -0.592 174.012 174.600 0.007 0.000 1.149 73 S CA -0.309 57.888 58.200 -0.006 0.000 0.850 73 S CB 1.647 64.829 63.200 -0.029 0.000 1.151 73 S HN 0.699 nan 8.310 nan 0.000 0.491 74 V N -1.469 118.461 119.914 0.026 0.000 2.960 74 V HA 0.715 4.836 4.120 0.003 0.000 0.315 74 V C -0.763 175.324 176.094 -0.012 0.000 1.087 74 V CA -0.989 61.299 62.300 -0.020 0.000 0.982 74 V CB 1.322 33.129 31.823 -0.026 0.000 1.039 74 V HN 0.993 nan 8.190 nan 0.000 0.437 75 E N 2.727 122.893 120.200 -0.056 0.000 2.227 75 E HA 0.618 4.969 4.350 0.003 0.000 0.282 75 E C -1.312 175.223 176.600 -0.108 0.000 1.015 75 E CA -0.449 55.940 56.400 -0.018 0.000 0.823 75 E CB 1.907 31.566 29.700 -0.069 0.000 1.081 75 E HN 0.588 nan 8.360 nan 0.000 0.396 76 L N 2.766 123.888 121.223 -0.169 0.000 2.345 76 L HA 0.693 5.035 4.340 0.003 0.000 0.274 76 L C 0.222 176.903 176.870 -0.315 0.000 0.999 76 L CA -0.487 54.014 54.840 -0.565 0.000 0.849 76 L CB 1.523 42.775 42.059 -1.346 0.000 1.220 76 L HN 0.712 nan 8.230 nan 0.000 0.422 77 G N 2.921 111.681 108.800 -0.067 0.000 2.340 77 G HA2 0.351 4.313 3.960 0.003 0.000 0.299 77 G HA3 0.351 4.313 3.960 0.003 0.000 0.299 77 G C -3.301 171.401 174.900 -0.329 0.000 1.291 77 G CA -0.906 44.172 45.100 -0.036 0.000 0.841 77 G HN 0.144 nan 8.290 nan 0.000 0.500 78 P HA 0.316 nan 4.420 nan 0.000 0.261 78 P C 0.900 177.846 177.300 -0.590 0.000 1.183 78 P CA 2.024 64.416 63.100 -1.179 0.000 0.761 78 P CB 0.798 31.248 31.700 -2.083 0.000 0.785 79 G N 2.087 110.786 108.800 -0.169 0.000 2.551 79 G HA2 -0.184 3.777 3.960 0.003 0.000 0.186 79 G HA3 -0.184 3.777 3.960 0.003 0.000 0.186 79 G C 0.815 175.866 174.900 0.251 0.000 1.002 79 G CA -0.160 45.078 45.100 0.230 0.000 0.723 79 G HN 0.435 nan 8.290 nan 0.000 0.481 80 L N 0.885 122.274 121.223 0.277 0.000 2.027 80 L HA 0.255 4.597 4.340 0.003 0.000 0.206 80 L C 1.619 178.658 176.870 0.283 0.000 1.074 80 L CA 0.754 55.826 54.840 0.387 0.000 0.745 80 L CB -0.401 41.971 42.059 0.520 0.000 0.898 80 L HN 0.176 nan 8.230 nan 0.000 0.433 81 L N 0.528 121.909 121.223 0.263 0.000 2.456 81 L HA -0.027 4.315 4.340 0.003 0.000 0.272 81 L C 1.457 178.383 176.870 0.093 0.000 1.189 81 L CA 0.744 55.668 54.840 0.140 0.000 0.846 81 L CB 0.458 42.594 42.059 0.129 0.000 1.111 81 L HN 0.496 nan 8.230 nan 0.000 0.475 82 T N -1.482 113.089 114.554 0.029 0.000 6.974 82 T HA -0.221 4.130 4.350 0.003 0.000 0.287 82 T C 0.437 175.098 174.700 -0.064 0.000 2.146 82 T CA 1.074 63.173 62.100 -0.002 0.000 3.451 82 T CB -1.646 67.238 68.868 0.026 0.000 1.630 82 T HN 0.523 nan 8.240 nan 0.000 1.173 83 S N 1.071 116.704 115.700 -0.113 0.000 2.610 83 S HA 0.740 5.212 4.470 0.003 0.000 0.273 83 S C 0.376 174.714 174.600 -0.436 0.000 1.274 83 S CA -0.687 57.315 58.200 -0.330 0.000 1.023 83 S CB 0.812 63.684 63.200 -0.547 0.000 0.962 83 S HN 0.513 nan 8.310 nan 0.000 0.523 84 I N 2.595 122.865 120.570 -0.501 0.000 2.406 84 I HA 0.474 4.646 4.170 0.003 0.000 0.290 84 I C -1.212 174.660 176.117 -0.408 0.000 0.999 84 I CA -0.619 60.464 61.300 -0.361 0.000 1.124 84 I CB 1.101 38.975 38.000 -0.211 0.000 1.289 84 I HN 0.530 nan 8.210 nan 0.000 0.441 85 Y N 3.027 123.333 120.300 0.009 0.000 2.693 85 Y HA 0.438 4.990 4.550 0.003 0.000 0.331 85 Y C 0.020 175.931 175.900 0.018 0.000 1.092 85 Y CA -1.084 57.028 58.100 0.020 0.000 1.131 85 Y CB 0.907 39.388 38.460 0.035 0.000 1.318 85 Y HN 0.577 nan 8.280 nan 0.000 0.510 86 D N -0.984 119.551 120.400 0.224 0.000 2.588 86 D HA 0.224 4.866 4.640 0.003 0.000 0.268 86 D C 1.371 177.739 176.300 0.114 0.000 1.176 86 D CA -0.276 53.803 54.000 0.132 0.000 1.080 86 D CB 0.522 41.381 40.800 0.098 0.000 1.186 86 D HN 0.663 nan 8.370 nan 0.000 0.619 87 G N -0.478 108.373 108.800 0.085 0.000 2.499 87 G HA2 -0.154 3.808 3.960 0.003 0.000 0.221 87 G HA3 -0.154 3.808 3.960 0.003 0.000 0.221 87 G C 1.397 176.338 174.900 0.069 0.000 1.109 87 G CA 1.245 46.392 45.100 0.078 0.000 0.749 87 G HN 0.666 nan 8.290 nan 0.000 0.568 88 I N -4.613 115.987 120.570 0.050 0.000 3.491 88 I HA 0.451 4.622 4.170 0.003 0.000 0.332 88 I C 0.558 176.652 176.117 -0.039 0.000 1.565 88 I CA -0.384 60.929 61.300 0.021 0.000 1.050 88 I CB 0.465 38.484 38.000 0.032 0.000 1.348 88 I HN 0.089 nan 8.210 nan 0.000 0.506 89 Q N 2.810 122.559 119.800 -0.085 0.000 2.481 89 Q HA -0.193 4.148 4.340 0.003 0.000 0.272 89 Q C -0.507 175.395 176.000 -0.163 0.000 1.157 89 Q CA 0.693 56.285 55.803 -0.352 0.000 0.935 89 Q CB -0.317 28.099 28.738 -0.536 0.000 1.338 89 Q HN 0.858 nan 8.270 nan 0.000 0.494 90 R N -0.528 120.000 120.500 0.048 0.000 2.346 90 R HA 0.583 4.925 4.340 0.003 0.000 0.311 90 R C -2.880 173.563 176.300 0.238 0.000 0.983 90 R CA -1.775 54.399 56.100 0.122 0.000 0.880 90 R CB 1.170 31.513 30.300 0.071 0.000 1.100 90 R HN -0.152 nan 8.270 nan 0.000 0.453 91 P HA 0.052 nan 4.420 nan 0.000 0.282 91 P C 0.692 178.039 177.300 0.079 0.000 1.286 91 P CA -0.583 62.626 63.100 0.182 0.000 0.777 91 P CB 0.448 32.227 31.700 0.131 0.000 1.184 92 L N -0.592 120.640 121.223 0.015 0.000 1.931 92 L HA -0.153 4.189 4.340 0.003 0.000 0.242 92 L C 0.854 177.732 176.870 0.013 0.000 1.081 92 L CA 1.667 56.502 54.840 -0.008 0.000 0.868 92 L CB -1.399 40.632 42.059 -0.046 0.000 0.912 92 L HN 0.536 nan 8.230 nan 0.000 0.427 93 E N -1.017 119.188 120.200 0.008 0.000 6.993 93 E HA -0.177 4.174 4.350 0.003 0.000 0.276 93 E C -1.313 175.305 176.600 0.030 0.000 1.113 93 E CA -0.005 56.408 56.400 0.023 0.000 1.400 93 E CB -0.223 29.497 29.700 0.033 0.000 0.936 93 E HN 0.157 nan 8.360 nan 0.000 0.285 94 V N 6.170 126.108 119.914 0.041 0.000 2.769 94 V HA 0.702 4.823 4.120 0.003 0.000 0.312 94 V C -0.073 176.108 176.094 0.144 0.000 1.058 94 V CA -0.809 61.543 62.300 0.087 0.000 0.952 94 V CB 1.884 33.730 31.823 0.039 0.000 1.019 94 V HN 0.566 nan 8.190 nan 0.000 0.445 95 I N 3.819 124.501 120.570 0.187 0.000 2.603 95 I HA 0.555 4.727 4.170 0.003 0.000 0.300 95 I C 0.498 176.710 176.117 0.159 0.000 1.017 95 I CA -0.604 60.783 61.300 0.145 0.000 1.098 95 I CB 1.921 39.971 38.000 0.084 0.000 1.279 95 I HN 0.776 nan 8.210 nan 0.000 0.437 96 R N 3.840 124.358 120.500 0.030 0.000 2.951 96 R HA -0.012 4.330 4.340 0.003 0.000 0.141 96 R C 0.138 176.264 176.300 -0.290 0.000 0.691 96 R CA 0.431 56.429 56.100 -0.169 0.000 1.548 96 R CB -0.072 30.160 30.300 -0.113 0.000 0.559 96 R HN 0.731 nan 8.270 nan 0.000 0.572 97 E N -0.652 119.370 120.200 -0.298 0.000 2.435 97 E HA 0.169 4.521 4.350 0.003 0.000 0.254 97 E C -0.105 176.417 176.600 -0.130 0.000 1.289 97 E CA -0.424 55.821 56.400 -0.258 0.000 0.983 97 E CB 0.674 30.249 29.700 -0.208 0.000 1.010 97 E HN 0.329 nan 8.360 nan 0.000 0.509 98 K N -1.373 118.969 120.400 -0.097 0.000 1.636 98 K HA 0.232 4.553 4.320 0.003 0.000 0.293 98 K C 0.213 176.790 176.600 -0.038 0.000 0.829 98 K CA 0.415 56.673 56.287 -0.049 0.000 0.384 98 K CB 0.054 32.540 32.500 -0.024 0.000 3.022 98 K HN 0.520 nan 8.250 nan 0.000 1.074 99 T N -0.780 113.762 114.554 -0.021 0.000 2.958 99 T HA 0.237 4.588 4.350 0.003 0.000 0.256 99 T C 1.109 175.805 174.700 -0.007 0.000 0.983 99 T CA 0.331 62.423 62.100 -0.014 0.000 0.924 99 T CB 0.914 69.779 68.868 -0.006 0.000 1.136 99 T HN 0.479 nan 8.240 nan 0.000 0.506 100 G N 1.841 110.643 108.800 0.002 0.000 2.545 100 G HA2 0.104 4.066 3.960 0.003 0.000 0.212 100 G HA3 0.104 4.066 3.960 0.003 0.000 0.212 100 G C 0.674 175.586 174.900 0.020 0.000 1.144 100 G CA 0.969 46.081 45.100 0.019 0.000 0.813 100 G HN 0.585 nan 8.290 nan 0.000 0.531 101 D N -2.135 118.255 120.400 -0.016 0.000 2.704 101 D HA -0.207 4.435 4.640 0.003 0.000 0.186 101 D C -0.410 175.767 176.300 -0.205 0.000 0.957 101 D CA 0.656 54.589 54.000 -0.111 0.000 1.011 101 D CB -1.752 38.970 40.800 -0.130 0.000 1.064 101 D HN 0.415 nan 8.370 nan 0.000 0.453 102 F N 0.576 120.534 119.950 0.013 0.000 3.034 102 F HA 0.477 5.005 4.527 0.003 0.000 0.371 102 F C -0.338 175.473 175.800 0.018 0.000 1.233 102 F CA -1.045 56.964 58.000 0.014 0.000 1.134 102 F CB 1.039 40.047 39.000 0.013 0.000 1.495 102 F HN -0.181 nan 8.300 nan 0.000 0.563 103 I N 3.608 124.326 120.570 0.246 0.000 2.331 103 I HA 0.618 4.790 4.170 0.003 0.000 0.292 103 I C -0.001 176.199 176.117 0.139 0.000 0.998 103 I CA -0.035 61.354 61.300 0.150 0.000 1.267 103 I CB 1.458 39.515 38.000 0.094 0.000 1.386 103 I HN 0.494 nan 8.210 nan 0.000 0.476 104 A N 7.116 129.993 122.820 0.095 0.000 2.413 104 A HA 0.942 5.264 4.320 0.003 0.000 0.307 104 A C -0.546 177.071 177.584 0.055 0.000 1.087 104 A CA -0.695 51.381 52.037 0.064 0.000 0.750 104 A CB 1.634 20.650 19.000 0.028 0.000 1.296 104 A HN 0.649 nan 8.150 nan 0.000 0.423 105 R N 0.523 121.052 120.500 0.050 0.000 2.668 105 R HA 0.511 4.853 4.340 0.003 0.000 0.272 105 R C -0.229 176.101 176.300 0.050 0.000 1.019 105 R CA -0.383 55.747 56.100 0.050 0.000 0.894 105 R CB 2.015 32.344 30.300 0.048 0.000 1.228 105 R HN 1.083 nan 8.270 nan 0.000 0.460 106 G N 1.885 110.717 108.800 0.055 0.000 2.354 106 G HA2 0.306 4.267 3.960 0.003 0.000 0.266 106 G HA3 0.306 4.267 3.960 0.003 0.000 0.266 106 G C -0.677 174.255 174.900 0.054 0.000 1.242 106 G CA -0.280 44.858 45.100 0.062 0.000 0.923 106 G HN 0.291 nan 8.290 nan 0.000 0.476 107 V N 3.162 123.109 119.914 0.056 0.000 2.483 107 V HA 0.479 4.601 4.120 0.003 0.000 0.295 107 V C 0.582 176.705 176.094 0.048 0.000 1.035 107 V CA -0.630 61.698 62.300 0.047 0.000 0.896 107 V CB 1.833 33.681 31.823 0.042 0.000 0.986 107 V HN 0.707 nan 8.190 nan 0.000 0.447 108 T N 7.158 121.735 114.554 0.039 0.000 2.825 108 T HA 0.565 4.917 4.350 0.003 0.000 0.270 108 T C 0.098 174.818 174.700 0.034 0.000 0.919 108 T CA 0.787 62.908 62.100 0.034 0.000 1.159 108 T CB -0.270 68.614 68.868 0.027 0.000 0.889 108 T HN 1.164 nan 8.240 nan 0.000 0.565 109 A N 5.381 128.225 122.820 0.039 0.000 2.557 109 A HA 0.853 5.175 4.320 0.003 0.000 0.292 109 A C -2.879 174.730 177.584 0.041 0.000 1.139 109 A CA -1.581 50.479 52.037 0.039 0.000 0.665 109 A CB 0.673 19.701 19.000 0.045 0.000 1.285 109 A HN 0.486 nan 8.150 nan 0.000 0.433 110 P HA 0.509 nan 4.420 nan 0.000 0.285 110 P C 0.649 177.983 177.300 0.056 0.000 1.259 110 P CA 0.269 63.382 63.100 0.023 0.000 0.794 110 P CB 1.491 33.194 31.700 0.006 0.000 0.940 111 A N 3.539 126.376 122.820 0.029 0.000 1.908 111 A HA -0.059 4.263 4.320 0.003 0.000 0.218 111 A C 0.754 178.435 177.584 0.162 0.000 1.181 111 A CA 1.408 53.489 52.037 0.073 0.000 0.627 111 A CB -0.719 18.203 19.000 -0.130 0.000 0.818 111 A HN 0.474 nan 8.150 nan 0.000 0.445 112 L N -0.208 121.035 121.223 0.032 0.000 2.322 112 L HA 0.470 4.812 4.340 0.003 0.000 0.281 112 L C -2.591 174.310 176.870 0.051 0.000 1.014 112 L CA -2.522 52.347 54.840 0.049 0.000 0.815 112 L CB 1.241 43.246 42.059 -0.090 0.000 1.247 112 L HN -0.066 nan 8.230 nan 0.000 0.421 113 P HA 0.183 nan 4.420 nan 0.000 0.267 113 P C 0.172 177.524 177.300 0.087 0.000 1.205 113 P CA -0.254 62.903 63.100 0.096 0.000 0.765 113 P CB 0.604 32.368 31.700 0.107 0.000 0.828 114 R N 2.437 122.963 120.500 0.043 0.000 2.280 114 R HA -0.003 4.339 4.340 0.003 0.000 0.195 114 R C 0.978 177.301 176.300 0.038 0.000 0.935 114 R CA 0.791 56.915 56.100 0.040 0.000 1.033 114 R CB -0.336 29.976 30.300 0.020 0.000 0.964 114 R HN 0.602 nan 8.270 nan 0.000 0.489 115 D N 0.314 120.722 120.400 0.015 0.000 2.240 115 D HA -0.076 4.566 4.640 0.003 0.000 0.206 115 D C 0.624 176.887 176.300 -0.062 0.000 0.963 115 D CA 0.179 54.169 54.000 -0.015 0.000 0.863 115 D CB 0.093 40.880 40.800 -0.023 0.000 0.973 115 D HN -0.014 nan 8.370 nan 0.000 0.501 116 K N 1.068 121.401 120.400 -0.110 0.000 2.350 116 K HA 0.120 4.441 4.320 0.003 0.000 0.279 116 K C -0.310 176.057 176.600 -0.387 0.000 1.027 116 K CA -0.270 55.831 56.287 -0.310 0.000 0.969 116 K CB 0.824 33.028 32.500 -0.495 0.000 0.954 116 K HN -0.197 nan 8.250 nan 0.000 0.474 117 K N 3.614 123.782 120.400 -0.387 0.000 2.227 117 K HA 0.173 4.495 4.320 0.003 0.000 0.280 117 K C -1.231 175.163 176.600 -0.343 0.000 1.041 117 K CA -0.377 55.761 56.287 -0.249 0.000 0.905 117 K CB 0.795 33.218 32.500 -0.128 0.000 1.068 117 K HN 0.416 nan 8.250 nan 0.000 0.470 118 W N 1.055 122.420 121.300 0.108 0.000 2.551 118 W HA 0.185 4.847 4.660 0.003 0.000 0.330 118 W C 0.186 176.822 176.519 0.196 0.000 1.063 118 W CA -0.811 56.623 57.345 0.149 0.000 1.222 118 W CB 0.820 30.373 29.460 0.155 0.000 1.349 118 W HN 0.534 nan 8.180 nan 0.000 0.536 119 H N 2.875 122.160 119.070 0.360 0.000 2.934 119 H HA 0.177 4.734 4.556 0.003 0.000 0.273 119 H C -0.986 174.544 175.328 0.337 0.000 1.121 119 H CA -0.684 55.519 56.048 0.258 0.000 1.451 119 H CB -0.094 29.762 29.762 0.157 0.000 1.469 119 H HN 0.330 nan 8.280 nan 0.000 0.476 120 F N 6.105 126.027 119.950 -0.046 0.000 2.411 120 F HA 0.378 4.906 4.527 0.003 0.000 0.350 120 F C -1.020 174.728 175.800 -0.087 0.000 1.114 120 F CA -0.829 57.205 58.000 0.056 0.000 1.135 120 F CB 0.298 39.463 39.000 0.274 0.000 1.120 120 F HN 0.434 nan 8.300 nan 0.000 0.495 121 I N 8.817 128.974 120.570 -0.689 0.000 2.382 121 I HA 0.334 4.506 4.170 0.003 0.000 0.286 121 I C -2.185 173.419 176.117 -0.855 0.000 1.002 121 I CA -2.325 58.647 61.300 -0.547 0.000 1.135 121 I CB 1.347 39.219 38.000 -0.212 0.000 1.288 121 I HN 0.419 nan 8.210 nan 0.000 0.448 122 P HA 0.099 nan 4.420 nan 0.000 0.271 122 P C -0.353 176.833 177.300 -0.190 0.000 1.216 122 P CA -0.250 62.651 63.100 -0.332 0.000 0.776 122 P CB 1.139 32.850 31.700 0.017 0.000 0.881 123 K N 0.281 120.609 120.400 -0.120 0.000 2.477 123 K HA 0.431 4.752 4.320 0.003 0.000 0.208 123 K C 0.378 176.965 176.600 -0.023 0.000 1.117 123 K CA -0.174 56.071 56.287 -0.069 0.000 1.039 123 K CB 1.287 33.740 32.500 -0.078 0.000 0.937 123 K HN 0.536 nan 8.250 nan 0.000 0.570 124 A N 1.551 124.373 122.820 0.004 0.000 2.435 124 A HA 0.737 5.059 4.320 0.003 0.000 0.296 124 A C -0.908 176.693 177.584 0.028 0.000 1.147 124 A CA -0.629 51.419 52.037 0.018 0.000 0.775 124 A CB 1.633 20.650 19.000 0.029 0.000 1.340 124 A HN 0.097 nan 8.150 nan 0.000 0.427 125 K N -0.132 120.282 120.400 0.023 0.000 2.482 125 K HA 0.694 5.016 4.320 0.003 0.000 0.257 125 K C -1.194 175.418 176.600 0.020 0.000 0.969 125 K CA -0.782 55.520 56.287 0.024 0.000 0.842 125 K CB 1.607 34.118 32.500 0.018 0.000 1.359 125 K HN 0.316 nan 8.250 nan 0.000 0.441 126 V N 1.669 121.595 119.914 0.019 0.000 2.584 126 V HA 0.120 4.242 4.120 0.003 0.000 0.303 126 V C 1.408 177.508 176.094 0.010 0.000 1.035 126 V CA 2.162 64.470 62.300 0.013 0.000 1.172 126 V CB -0.015 31.816 31.823 0.013 0.000 0.896 126 V HN 1.155 nan 8.190 nan 0.000 0.486 127 G N 3.964 112.768 108.800 0.007 0.000 2.232 127 G HA2 -0.183 3.779 3.960 0.003 0.000 0.226 127 G HA3 -0.183 3.779 3.960 0.003 0.000 0.226 127 G C -0.027 174.876 174.900 0.005 0.000 0.996 127 G CA -0.021 45.083 45.100 0.005 0.000 0.626 127 G HN 0.662 nan 8.290 nan 0.000 0.509 128 D N 2.104 122.508 120.400 0.006 0.000 2.425 128 D HA 0.374 5.015 4.640 0.003 0.000 0.247 128 D C 0.669 176.971 176.300 0.004 0.000 1.147 128 D CA 0.360 54.363 54.000 0.005 0.000 0.879 128 D CB 0.753 41.557 40.800 0.007 0.000 1.179 128 D HN 0.147 nan 8.370 nan 0.000 0.456 129 K N 1.453 121.854 120.400 0.002 0.000 2.276 129 K HA 0.353 4.675 4.320 0.003 0.000 0.283 129 K C 0.024 176.624 176.600 0.001 0.000 1.044 129 K CA -0.555 55.733 56.287 0.001 0.000 0.944 129 K CB 1.275 33.775 32.500 0.001 0.000 1.012 129 K HN 0.310 nan 8.250 nan 0.000 0.472 130 V N -0.727 119.187 119.914 -0.000 0.000 3.040 130 V HA 0.783 4.904 4.120 0.003 0.000 0.312 130 V C -0.212 175.880 176.094 -0.003 0.000 1.115 130 V CA -1.047 61.252 62.300 -0.001 0.000 0.998 130 V CB 1.905 33.728 31.823 0.000 0.000 1.042 130 V HN 0.497 nan 8.190 nan 0.000 0.433 131 V N -1.181 118.730 119.914 -0.005 0.000 3.158 131 V HA 0.999 5.121 4.120 0.003 0.000 0.311 131 V C 0.693 176.782 176.094 -0.009 0.000 1.181 131 V CA -0.311 61.985 62.300 -0.006 0.000 1.054 131 V CB 1.216 33.036 31.823 -0.006 0.000 1.085 131 V HN 1.660 nan 8.190 nan 0.000 0.446 132 G N -0.167 108.628 108.800 -0.007 0.000 2.321 132 G HA2 0.470 4.432 3.960 0.003 0.000 0.237 132 G HA3 0.470 4.432 3.960 0.003 0.000 0.237 132 G C 1.174 176.057 174.900 -0.028 0.000 1.282 132 G CA 0.571 45.664 45.100 -0.011 0.000 0.886 132 G HN 2.461 nan 8.290 nan 0.000 0.528 133 G N 1.840 110.617 108.800 -0.037 0.000 2.268 133 G HA2 -0.272 3.690 3.960 0.003 0.000 0.240 133 G HA3 -0.272 3.690 3.960 0.003 0.000 0.240 133 G C 0.381 175.247 174.900 -0.058 0.000 1.010 133 G CA 0.360 45.423 45.100 -0.061 0.000 0.618 133 G HN 0.815 nan 8.290 nan 0.000 0.516 134 D N 0.790 121.168 120.400 -0.037 0.000 2.488 134 D HA 0.316 4.957 4.640 0.003 0.000 0.238 134 D C 0.871 177.155 176.300 -0.026 0.000 1.138 134 D CA 0.367 54.349 54.000 -0.031 0.000 0.873 134 D CB 0.539 41.329 40.800 -0.016 0.000 1.183 134 D HN 0.376 nan 8.370 nan 0.000 0.458 135 I N 3.545 124.095 120.570 -0.034 0.000 2.312 135 I HA 0.110 4.282 4.170 0.003 0.000 0.291 135 I C 1.522 177.635 176.117 -0.007 0.000 1.031 135 I CA -0.262 61.022 61.300 -0.028 0.000 1.293 135 I CB 0.830 38.795 38.000 -0.057 0.000 1.403 135 I HN 0.355 nan 8.210 nan 0.000 0.484 136 I N 2.392 122.978 120.570 0.028 0.000 4.139 136 I HA 0.584 4.756 4.170 0.003 0.000 0.335 136 I C 0.726 176.880 176.117 0.060 0.000 1.327 136 I CA -0.156 61.177 61.300 0.056 0.000 1.112 136 I CB 0.430 38.482 38.000 0.087 0.000 1.058 136 I HN 0.526 nan 8.210 nan 0.000 0.396 137 G N 0.638 109.445 108.800 0.012 0.000 2.608 137 G HA2 0.604 4.566 3.960 0.003 0.000 0.291 137 G HA3 0.604 4.566 3.960 0.003 0.000 0.291 137 G C -1.949 172.859 174.900 -0.153 0.000 1.425 137 G CA -0.537 44.423 45.100 -0.233 0.000 0.787 137 G HN 0.152 nan 8.290 nan 0.000 0.484 138 E N -0.944 119.092 120.200 -0.272 0.000 2.292 138 E HA 0.553 4.905 4.350 0.003 0.000 0.272 138 E C -1.433 175.160 176.600 -0.013 0.000 0.881 138 E CA -0.811 55.546 56.400 -0.071 0.000 0.754 138 E CB 3.231 32.903 29.700 -0.047 0.000 1.201 138 E HN 0.244 nan 8.360 nan 0.000 0.425 139 V N 3.386 123.370 119.914 0.118 0.000 2.443 139 V HA 0.286 4.408 4.120 0.003 0.000 0.293 139 V C -2.464 173.756 176.094 0.211 0.000 1.021 139 V CA -2.116 60.291 62.300 0.179 0.000 0.848 139 V CB 1.722 33.617 31.823 0.120 0.000 0.998 139 V HN 0.526 nan 8.190 nan 0.000 0.424 140 P HA 0.127 nan 4.420 nan 0.000 0.268 140 P C 0.582 178.057 177.300 0.291 0.000 1.282 140 P CA 0.374 63.608 63.100 0.224 0.000 0.880 140 P CB 0.621 32.438 31.700 0.194 0.000 0.971 141 E N 2.811 123.167 120.200 0.261 0.000 2.122 141 E HA -0.040 4.311 4.350 0.003 0.000 0.190 141 E C 0.418 177.222 176.600 0.339 0.000 0.977 141 E CA 0.865 57.453 56.400 0.312 0.000 0.820 141 E CB 0.425 30.234 29.700 0.182 0.000 0.770 141 E HN 0.471 nan 8.360 nan 0.000 0.462 142 T N -2.825 111.852 114.554 0.206 0.000 2.778 142 T HA 0.209 4.561 4.350 0.003 0.000 0.293 142 T C 0.923 175.679 174.700 0.093 0.000 1.144 142 T CA -0.161 62.023 62.100 0.140 0.000 1.010 142 T CB 1.099 70.022 68.868 0.091 0.000 1.325 142 T HN 0.004 nan 8.240 nan 0.000 0.515 143 S N -0.302 115.431 115.700 0.054 0.000 2.474 143 S HA 0.039 4.511 4.470 0.003 0.000 0.235 143 S C 1.656 176.264 174.600 0.014 0.000 0.997 143 S CA 0.423 58.642 58.200 0.031 0.000 0.949 143 S CB -0.881 62.327 63.200 0.013 0.000 0.766 143 S HN 0.623 nan 8.310 nan 0.000 0.517 144 I N 0.401 120.971 120.570 0.000 0.000 2.556 144 I HA 0.212 4.384 4.170 0.003 0.000 0.251 144 I C 0.206 176.307 176.117 -0.028 0.000 1.105 144 I CA 0.408 61.689 61.300 -0.032 0.000 1.436 144 I CB 0.128 38.084 38.000 -0.073 0.000 1.139 144 I HN 0.243 nan 8.210 nan 0.000 0.438 145 I N 2.030 122.590 120.570 -0.016 0.000 2.378 145 I HA 0.240 4.411 4.170 0.003 0.000 0.291 145 I C -0.239 175.937 176.117 0.099 0.000 0.992 145 I CA -0.509 60.777 61.300 -0.023 0.000 1.154 145 I CB 1.678 39.605 38.000 -0.122 0.000 1.315 145 I HN -0.252 nan 8.210 nan 0.000 0.448 146 V N 6.097 126.103 119.914 0.154 0.000 2.432 146 V HA 0.145 4.267 4.120 0.003 0.000 0.271 146 V C 0.398 176.657 176.094 0.275 0.000 1.046 146 V CA -0.483 61.937 62.300 0.201 0.000 0.945 146 V CB 0.735 32.657 31.823 0.164 0.000 0.992 146 V HN 0.571 nan 8.190 nan 0.000 0.471 147 H N 6.344 125.504 119.070 0.151 0.000 2.604 147 H HA 0.327 4.885 4.556 0.003 0.000 0.306 147 H C -0.443 174.932 175.328 0.078 0.000 1.075 147 H CA -0.693 55.441 56.048 0.145 0.000 1.357 147 H CB 1.036 30.837 29.762 0.065 0.000 1.426 147 H HN 0.483 nan 8.280 nan 0.000 0.470 148 K N 6.468 126.929 120.400 0.101 0.000 2.248 148 K HA 0.207 4.529 4.320 0.003 0.000 0.281 148 K C 0.122 176.785 176.600 0.106 0.000 1.054 148 K CA -0.838 55.477 56.287 0.047 0.000 0.903 148 K CB 1.355 33.798 32.500 -0.095 0.000 1.077 148 K HN 0.438 nan 8.250 nan 0.000 0.474 149 I N 4.599 125.257 120.570 0.147 0.000 2.396 149 I HA 0.234 4.406 4.170 0.003 0.000 0.289 149 I C 0.486 176.661 176.117 0.096 0.000 1.056 149 I CA -0.082 61.324 61.300 0.176 0.000 1.365 149 I CB -0.195 37.963 38.000 0.263 0.000 1.407 149 I HN 0.432 nan 8.210 nan 0.000 0.509 150 M N 5.372 125.021 119.600 0.082 0.000 2.528 150 M HA 0.422 4.904 4.480 0.003 0.000 0.321 150 M C -0.350 175.971 176.300 0.034 0.000 1.153 150 M CA -1.054 54.264 55.300 0.029 0.000 0.951 150 M CB 2.601 35.190 32.600 -0.019 0.000 1.705 150 M HN 0.119 nan 8.290 nan 0.000 0.451 151 V N 3.448 123.369 119.914 0.013 0.000 2.540 151 V HA 0.075 4.197 4.120 0.003 0.000 0.297 151 V C -2.096 174.004 176.094 0.010 0.000 1.024 151 V CA -0.953 61.352 62.300 0.007 0.000 1.105 151 V CB -0.305 31.519 31.823 0.001 0.000 0.938 151 V HN 0.622 nan 8.190 nan 0.000 0.482 152 P HA 0.176 nan 4.420 nan 0.000 0.269 152 P C -2.575 174.755 177.300 0.051 0.000 1.209 152 P CA -1.129 61.998 63.100 0.044 0.000 0.776 152 P CB -0.153 31.578 31.700 0.051 0.000 0.876 153 P HA 0.060 nan 4.420 nan 0.000 0.265 153 P C 0.960 178.330 177.300 0.116 0.000 1.193 153 P CA 1.214 64.359 63.100 0.075 0.000 0.765 153 P CB 0.087 31.833 31.700 0.077 0.000 0.823 154 G N 2.178 111.017 108.800 0.066 0.000 2.176 154 G HA2 -0.225 3.737 3.960 0.003 0.000 0.253 154 G HA3 -0.225 3.737 3.960 0.003 0.000 0.253 154 G C 0.064 174.980 174.900 0.027 0.000 0.979 154 G CA -0.380 44.749 45.100 0.049 0.000 0.641 154 G HN 0.488 nan 8.290 nan 0.000 0.530 155 I N 1.714 122.298 120.570 0.023 0.000 2.336 155 I HA 0.549 4.721 4.170 0.003 0.000 0.292 155 I C 0.243 176.362 176.117 0.003 0.000 0.991 155 I CA -0.594 60.711 61.300 0.008 0.000 1.227 155 I CB 1.376 39.378 38.000 0.004 0.000 1.366 155 I HN 0.465 nan 8.210 nan 0.000 0.466 156 E N 4.757 124.957 120.200 -0.001 0.000 2.413 156 E HA 0.869 5.220 4.350 0.003 0.000 0.277 156 E C -0.470 176.127 176.600 -0.004 0.000 0.958 156 E CA -0.986 55.413 56.400 -0.002 0.000 0.779 156 E CB 2.801 32.500 29.700 -0.001 0.000 1.278 156 E HN 0.712 nan 8.360 nan 0.000 0.456 157 G N 0.760 109.558 108.800 -0.003 0.000 2.366 157 G HA2 0.006 3.968 3.960 0.003 0.000 0.190 157 G HA3 0.006 3.968 3.960 0.003 0.000 0.190 157 G C -1.535 173.364 174.900 -0.003 0.000 1.299 157 G CA -0.490 44.607 45.100 -0.004 0.000 1.056 157 G HN 0.664 nan 8.290 nan 0.000 0.468 158 E N 0.016 120.214 120.200 -0.003 0.000 2.166 158 E HA 0.555 4.907 4.350 0.003 0.000 0.275 158 E C -0.227 176.371 176.600 -0.003 0.000 0.941 158 E CA -0.789 55.610 56.400 -0.002 0.000 0.784 158 E CB 1.225 30.924 29.700 -0.002 0.000 1.115 158 E HN 0.371 nan 8.360 nan 0.000 0.399 159 I N 5.750 126.320 120.570 0.000 0.000 2.576 159 I HA -0.063 4.108 4.170 0.003 0.000 0.288 159 I C 1.348 177.465 176.117 0.000 0.000 1.126 159 I CA 0.019 61.319 61.300 0.001 0.000 1.362 159 I CB 0.516 38.521 38.000 0.009 0.000 1.419 159 I HN 0.498 nan 8.210 nan 0.000 0.533 160 V N 1.746 121.657 119.914 -0.005 0.000 3.471 160 V HA 0.294 4.416 4.120 0.003 0.000 0.258 160 V C 0.592 176.683 176.094 -0.005 0.000 1.192 160 V CA 0.438 62.735 62.300 -0.005 0.000 1.116 160 V CB -0.255 31.564 31.823 -0.007 0.000 0.792 160 V HN 0.764 nan 8.190 nan 0.000 0.459 161 E N -0.421 119.774 120.200 -0.009 0.000 2.321 161 E HA 0.675 5.027 4.350 0.003 0.000 0.281 161 E C -1.840 174.751 176.600 -0.015 0.000 0.910 161 E CA -0.515 55.877 56.400 -0.013 0.000 0.770 161 E CB 2.952 32.637 29.700 -0.025 0.000 1.225 161 E HN 0.381 nan 8.360 nan 0.000 0.417 162 I N 2.462 123.031 120.570 -0.002 0.000 2.656 162 I HA 0.634 4.805 4.170 0.003 0.000 0.292 162 I C -0.798 175.328 176.117 0.015 0.000 1.144 162 I CA -0.658 60.649 61.300 0.011 0.000 1.038 162 I CB 1.537 39.579 38.000 0.069 0.000 1.244 162 I HN 0.729 nan 8.210 nan 0.000 0.420 163 A N 5.418 128.209 122.820 -0.050 0.000 2.483 163 A HA 0.212 4.533 4.320 0.003 0.000 0.238 163 A C 0.040 177.737 177.584 0.188 0.000 1.070 163 A CA 0.050 52.050 52.037 -0.063 0.000 0.770 163 A CB 0.232 18.929 19.000 -0.506 0.000 1.008 163 A HN 0.814 nan 8.150 nan 0.000 0.497 164 E N 0.465 120.788 120.200 0.206 0.000 2.392 164 E HA 0.173 4.525 4.350 0.003 0.000 0.259 164 E C 0.309 177.117 176.600 0.348 0.000 1.108 164 E CA -0.220 56.318 56.400 0.231 0.000 0.916 164 E CB 0.460 30.265 29.700 0.174 0.000 0.989 164 E HN 0.718 nan 8.360 nan 0.000 0.432 165 E N 0.376 120.707 120.200 0.217 0.000 2.502 165 E HA 0.195 4.546 4.350 0.003 0.000 0.261 165 E C -0.217 176.456 176.600 0.121 0.000 0.974 165 E CA 0.683 57.167 56.400 0.139 0.000 0.936 165 E CB 0.284 30.012 29.700 0.046 0.000 0.926 165 E HN 0.590 nan 8.360 nan 0.000 0.459 166 G N 3.271 112.054 108.800 -0.029 0.000 2.317 166 G HA2 0.073 4.035 3.960 0.003 0.000 0.293 166 G HA3 0.073 4.035 3.960 0.003 0.000 0.293 166 G C -1.752 172.855 174.900 -0.488 0.000 1.287 166 G CA -0.795 44.161 45.100 -0.240 0.000 0.850 166 G HN 0.515 nan 8.290 nan 0.000 0.515 167 D N 0.292 120.313 120.400 -0.631 0.000 2.256 167 D HA 0.647 5.289 4.640 0.003 0.000 0.240 167 D C -1.143 174.785 176.300 -0.620 0.000 1.062 167 D CA 0.380 54.146 54.000 -0.390 0.000 0.832 167 D CB 1.559 42.282 40.800 -0.127 0.000 1.135 167 D HN 0.287 nan 8.370 nan 0.000 0.484 168 Y N -0.607 119.773 120.300 0.132 0.000 2.562 168 Y HA 0.283 4.835 4.550 0.003 0.000 0.345 168 Y C 0.791 176.787 175.900 0.159 0.000 1.045 168 Y CA -1.113 57.049 58.100 0.104 0.000 1.028 168 Y CB 1.545 40.038 38.460 0.054 0.000 1.297 168 Y HN 0.134 nan 8.280 nan 0.000 0.463 169 T N -1.167 113.555 114.554 0.280 0.000 2.899 169 T HA 0.352 4.704 4.350 0.003 0.000 0.284 169 T C 1.272 176.139 174.700 0.280 0.000 1.004 169 T CA -0.654 61.591 62.100 0.243 0.000 1.043 169 T CB 0.667 69.616 68.868 0.134 0.000 1.013 169 T HN 0.706 nan 8.240 nan 0.000 0.518 170 I N -1.094 119.649 120.570 0.288 0.000 2.454 170 I HA -0.070 4.102 4.170 0.003 0.000 0.254 170 I C 1.831 178.121 176.117 0.288 0.000 1.156 170 I CA 1.123 62.575 61.300 0.254 0.000 1.433 170 I CB -0.620 37.438 38.000 0.097 0.000 1.082 170 I HN 0.494 nan 8.210 nan 0.000 0.432 171 E N 1.814 122.140 120.200 0.210 0.000 2.482 171 E HA 0.037 4.389 4.350 0.003 0.000 0.196 171 E C 0.175 176.841 176.600 0.110 0.000 1.047 171 E CA 0.299 56.822 56.400 0.205 0.000 0.869 171 E CB -0.098 29.683 29.700 0.135 0.000 0.836 171 E HN 0.698 nan 8.360 nan 0.000 0.520 172 E N 1.000 121.248 120.200 0.081 0.000 2.316 172 E HA 0.158 4.510 4.350 0.003 0.000 0.275 172 E C -0.411 176.115 176.600 -0.123 0.000 1.029 172 E CA -0.283 56.111 56.400 -0.010 0.000 0.871 172 E CB 1.815 31.526 29.700 0.019 0.000 1.022 172 E HN -0.188 nan 8.360 nan 0.000 0.418 173 V N 5.000 124.827 119.914 -0.144 0.000 2.470 173 V HA -0.044 4.078 4.120 0.003 0.000 0.276 173 V C 0.893 176.797 176.094 -0.317 0.000 1.040 173 V CA 0.252 62.439 62.300 -0.188 0.000 1.008 173 V CB 0.154 31.901 31.823 -0.126 0.000 0.990 173 V HN 0.563 nan 8.190 nan 0.000 0.477 174 I N 2.399 122.731 120.570 -0.397 0.000 3.941 174 I HA 0.697 4.868 4.170 0.003 0.000 0.321 174 I C 0.733 176.631 176.117 -0.364 0.000 1.284 174 I CA 0.130 61.062 61.300 -0.614 0.000 1.226 174 I CB -0.193 37.122 38.000 -1.141 0.000 1.045 174 I HN 0.491 nan 8.210 nan 0.000 0.420 175 A N 0.353 123.044 122.820 -0.215 0.000 2.612 175 A HA 0.810 5.132 4.320 0.003 0.000 0.293 175 A C -1.091 176.442 177.584 -0.086 0.000 1.075 175 A CA -0.783 51.189 52.037 -0.109 0.000 0.680 175 A CB 1.387 20.357 19.000 -0.050 0.000 1.279 175 A HN 0.090 nan 8.150 nan 0.000 0.411 176 K N 0.712 121.079 120.400 -0.056 0.000 2.397 176 K HA 0.643 4.965 4.320 0.003 0.000 0.253 176 K C -1.509 175.074 176.600 -0.028 0.000 0.932 176 K CA -0.671 55.590 56.287 -0.044 0.000 0.795 176 K CB 2.511 34.987 32.500 -0.039 0.000 1.159 176 K HN 0.404 nan 8.250 nan 0.000 0.424 177 V N 2.932 122.831 119.914 -0.026 0.000 2.495 177 V HA 0.285 4.407 4.120 0.003 0.000 0.298 177 V C -0.269 175.816 176.094 -0.016 0.000 1.031 177 V CA -0.895 61.395 62.300 -0.017 0.000 0.871 177 V CB 1.640 33.453 31.823 -0.015 0.000 0.988 177 V HN 0.626 nan 8.190 nan 0.000 0.432 178 K N 3.676 124.069 120.400 -0.012 0.000 2.262 178 K HA 0.392 4.714 4.320 0.003 0.000 0.282 178 K C 0.393 176.987 176.600 -0.009 0.000 1.066 178 K CA -0.291 55.989 56.287 -0.010 0.000 0.901 178 K CB 1.049 33.544 32.500 -0.009 0.000 1.089 178 K HN 0.924 nan 8.250 nan 0.000 0.476 179 T N 1.574 116.122 114.554 -0.009 0.000 2.766 179 T HA 0.187 4.538 4.350 0.003 0.000 0.295 179 T C -1.722 172.974 174.700 -0.006 0.000 1.024 179 T CA -1.422 60.673 62.100 -0.008 0.000 1.018 179 T CB 0.767 69.630 68.868 -0.009 0.000 1.002 179 T HN 0.369 nan 8.240 nan 0.000 0.532 180 P HA -0.046 nan 4.420 nan 0.000 0.218 180 P C 1.745 179.042 177.300 -0.005 0.000 1.146 180 P CA 0.895 63.992 63.100 -0.005 0.000 0.813 180 P CB -0.102 31.596 31.700 -0.004 0.000 0.778 181 S N -2.069 113.627 115.700 -0.006 0.000 2.447 181 S HA 0.055 4.527 4.470 0.003 0.000 0.233 181 S C 1.684 176.280 174.600 -0.007 0.000 1.006 181 S CA 1.387 59.583 58.200 -0.007 0.000 0.957 181 S CB -0.861 62.334 63.200 -0.008 0.000 0.773 181 S HN 0.365 nan 8.310 nan 0.000 0.507 182 G N 1.100 109.895 108.800 -0.007 0.000 2.179 182 G HA2 -0.228 3.734 3.960 0.003 0.000 0.220 182 G HA3 -0.228 3.734 3.960 0.003 0.000 0.220 182 G C -0.080 174.814 174.900 -0.009 0.000 0.990 182 G CA 0.149 45.245 45.100 -0.007 0.000 0.646 182 G HN 0.540 nan 8.290 nan 0.000 0.517 183 E N 0.954 121.148 120.200 -0.010 0.000 2.344 183 E HA 0.407 4.759 4.350 0.003 0.000 0.270 183 E C 0.413 177.005 176.600 -0.014 0.000 1.021 183 E CA -0.550 55.842 56.400 -0.012 0.000 0.887 183 E CB 0.233 29.925 29.700 -0.013 0.000 0.997 183 E HN 0.179 nan 8.360 nan 0.000 0.429 184 I N 5.301 125.862 120.570 -0.016 0.000 2.304 184 I HA 0.222 4.393 4.170 0.003 0.000 0.291 184 I C -0.031 176.072 176.117 -0.024 0.000 1.018 184 I CA -0.562 60.727 61.300 -0.019 0.000 1.260 184 I CB 0.829 38.818 38.000 -0.018 0.000 1.390 184 I HN 0.393 nan 8.210 nan 0.000 0.475 185 K N 6.120 126.504 120.400 -0.027 0.000 2.206 185 K HA 0.410 4.732 4.320 0.003 0.000 0.264 185 K C -0.170 176.403 176.600 -0.044 0.000 0.967 185 K CA -0.522 55.745 56.287 -0.034 0.000 0.844 185 K CB 1.971 34.453 32.500 -0.030 0.000 1.099 185 K HN 0.503 nan 8.250 nan 0.000 0.441 186 E N 3.524 123.691 120.200 -0.054 0.000 2.146 186 E HA 0.296 4.648 4.350 0.003 0.000 0.282 186 E C -0.365 176.179 176.600 -0.093 0.000 0.989 186 E CA -0.435 55.923 56.400 -0.070 0.000 0.799 186 E CB 1.169 30.829 29.700 -0.067 0.000 1.088 186 E HN 0.247 nan 8.360 nan 0.000 0.397 187 L N 3.228 124.388 121.223 -0.105 0.000 2.329 187 L HA 0.475 4.817 4.340 0.003 0.000 0.279 187 L C 0.250 177.021 176.870 -0.166 0.000 1.014 187 L CA -0.701 54.065 54.840 -0.124 0.000 0.814 187 L CB 1.344 43.350 42.059 -0.087 0.000 1.257 187 L HN 0.338 nan 8.230 nan 0.000 0.424 188 K N 1.625 121.902 120.400 -0.204 0.000 2.354 188 K HA 0.486 4.808 4.320 0.003 0.000 0.238 188 K C 0.540 177.054 176.600 -0.145 0.000 1.068 188 K CA -0.835 55.329 56.287 -0.205 0.000 0.925 188 K CB 1.730 34.060 32.500 -0.283 0.000 1.286 188 K HN 0.505 nan 8.250 nan 0.000 0.500 189 M N 0.530 120.098 119.600 -0.053 0.000 2.557 189 M HA -0.016 4.466 4.480 0.003 0.000 0.259 189 M C -0.214 176.134 176.300 0.081 0.000 1.086 189 M CA 1.141 56.454 55.300 0.021 0.000 1.096 189 M CB 0.109 32.722 32.600 0.021 0.000 1.424 189 M HN 0.456 nan 8.290 nan 0.000 0.488 190 Y N -0.833 119.433 120.300 -0.056 0.000 2.633 190 Y HA 0.668 5.219 4.550 0.003 0.000 0.339 190 Y C -0.774 175.098 175.900 -0.046 0.000 1.045 190 Y CA -1.669 56.392 58.100 -0.066 0.000 1.098 190 Y CB 0.645 39.052 38.460 -0.089 0.000 1.296 190 Y HN 0.090 nan 8.280 nan 0.000 0.494 191 Q N 1.037 120.787 119.800 -0.083 0.000 2.501 191 Q HA 0.693 5.035 4.340 0.003 0.000 0.288 191 Q C -1.667 174.349 176.000 0.026 0.000 1.051 191 Q CA -1.321 54.408 55.803 -0.124 0.000 0.788 191 Q CB 2.773 31.489 28.738 -0.035 0.000 1.469 191 Q HN 0.829 nan 8.270 nan 0.000 0.416 192 R N 0.402 120.934 120.500 0.053 0.000 2.711 192 R HA 0.559 4.901 4.340 0.003 0.000 0.284 192 R C -1.474 174.944 176.300 0.197 0.000 0.968 192 R CA -0.639 55.524 56.100 0.104 0.000 0.924 192 R CB 1.956 32.295 30.300 0.065 0.000 1.162 192 R HN 0.721 nan 8.270 nan 0.000 0.465 193 W N 4.034 125.304 121.300 -0.050 0.000 3.274 193 W HA 0.302 4.964 4.660 0.002 0.000 0.327 193 W C -2.922 173.583 176.519 -0.024 0.000 1.172 193 W CA -2.174 55.150 57.345 -0.036 0.000 1.217 193 W CB 2.154 31.594 29.460 -0.033 0.000 1.376 193 W HN 0.361 nan 8.180 nan 0.000 0.507 194 P HA 0.001 nan 4.420 nan 0.000 0.276 194 P C 0.856 178.123 177.300 -0.054 0.000 1.253 194 P CA 0.197 63.112 63.100 -0.309 0.000 0.766 194 P CB 0.804 32.255 31.700 -0.413 0.000 0.845 195 V N 2.287 122.247 119.914 0.076 0.000 2.828 195 V HA -0.182 3.940 4.120 0.003 0.000 0.260 195 V C 1.467 177.666 176.094 0.174 0.000 1.101 195 V CA 1.324 63.738 62.300 0.191 0.000 1.123 195 V CB -1.247 30.682 31.823 0.178 0.000 0.704 195 V HN 0.392 nan 8.190 nan 0.000 0.493 196 R N 0.062 120.579 120.500 0.029 0.000 2.334 196 R HA 0.385 4.727 4.340 0.003 0.000 0.216 196 R C -0.248 176.056 176.300 0.007 0.000 0.905 196 R CA -0.001 56.057 56.100 -0.071 0.000 1.064 196 R CB 0.649 30.840 30.300 -0.182 0.000 1.046 196 R HN 0.497 nan 8.270 nan 0.000 0.508 197 V N 3.173 123.143 119.914 0.092 0.000 2.409 197 V HA 0.124 4.246 4.120 0.003 0.000 0.291 197 V C 0.058 176.405 176.094 0.422 0.000 1.020 197 V CA -1.261 61.138 62.300 0.164 0.000 0.848 197 V CB 1.595 33.424 31.823 0.010 0.000 0.990 197 V HN 0.205 nan 8.190 nan 0.000 0.430 198 K N 5.080 125.658 120.400 0.296 0.000 2.489 198 K HA 0.237 4.558 4.320 0.003 0.000 0.278 198 K C -0.106 176.667 176.600 0.289 0.000 1.000 198 K CA -0.283 56.166 56.287 0.270 0.000 1.012 198 K CB 0.921 33.540 32.500 0.199 0.000 0.903 198 K HN 0.519 nan 8.250 nan 0.000 0.485 199 R N 3.526 124.070 120.500 0.074 0.000 2.449 199 R HA 0.101 4.443 4.340 0.003 0.000 0.296 199 R C -1.872 174.389 176.300 -0.066 0.000 1.047 199 R CA -1.410 54.520 56.100 -0.283 0.000 1.018 199 R CB 0.198 30.203 30.300 -0.492 0.000 0.962 199 R HN 0.646 nan 8.270 nan 0.000 0.428 200 P HA 0.003 nan 4.420 nan 0.000 0.271 200 P C -1.309 175.931 177.300 -0.100 0.000 1.233 200 P CA 0.251 63.247 63.100 -0.174 0.000 0.789 200 P CB 0.449 32.088 31.700 -0.102 0.000 0.951 201 Y N -2.927 117.337 120.300 -0.060 0.000 2.725 201 Y HA 0.472 5.023 4.550 0.002 0.000 0.333 201 Y C 1.040 176.909 175.900 -0.050 0.000 1.242 201 Y CA -1.086 56.968 58.100 -0.075 0.000 1.059 201 Y CB 0.335 38.745 38.460 -0.083 0.000 1.306 201 Y HN 0.092 nan 8.280 nan 0.000 0.454 202 K N 0.045 120.545 120.400 0.168 0.000 2.044 202 K HA 0.080 4.402 4.320 0.003 0.000 0.204 202 K C -0.246 176.458 176.600 0.173 0.000 1.049 202 K CA 1.456 57.799 56.287 0.092 0.000 0.945 202 K CB 0.399 32.932 32.500 0.055 0.000 0.724 202 K HN 0.720 nan 8.250 nan 0.000 0.440 203 E N 0.688 121.071 120.200 0.305 0.000 2.354 203 E HA 0.133 4.484 4.350 0.003 0.000 0.283 203 E C -1.879 174.812 176.600 0.152 0.000 0.938 203 E CA -0.534 56.013 56.400 0.245 0.000 0.777 203 E CB 1.774 31.548 29.700 0.123 0.000 1.222 203 E HN -0.191 nan 8.360 nan 0.000 0.423 204 K N 4.356 124.830 120.400 0.124 0.000 2.262 204 K HA 0.350 4.672 4.320 0.003 0.000 0.282 204 K C -0.830 175.749 176.600 -0.036 0.000 1.066 204 K CA -0.259 55.967 56.287 -0.102 0.000 0.901 204 K CB 0.433 32.893 32.500 -0.067 0.000 1.089 204 K HN 0.393 nan 8.250 nan 0.000 0.476 205 L N 6.495 127.676 121.223 -0.070 0.000 2.395 205 L HA 0.392 4.734 4.340 0.003 0.000 0.269 205 L C -1.811 175.043 176.870 -0.027 0.000 1.133 205 L CA -2.261 52.562 54.840 -0.027 0.000 0.812 205 L CB 0.648 42.689 42.059 -0.030 0.000 1.125 205 L HN 0.599 nan 8.230 nan 0.000 0.452 206 P HA 0.131 nan 4.420 nan 0.000 0.268 206 P C -2.451 174.843 177.300 -0.010 0.000 1.205 206 P CA -0.949 62.160 63.100 0.015 0.000 0.771 206 P CB -0.270 31.452 31.700 0.036 0.000 0.858 207 P HA -0.049 nan 4.420 nan 0.000 0.263 207 P C 0.440 177.708 177.300 -0.052 0.000 1.175 207 P CA 0.713 63.758 63.100 -0.092 0.000 0.761 207 P CB 0.501 32.166 31.700 -0.058 0.000 0.794 208 E N 1.571 121.708 120.200 -0.105 0.000 2.586 208 E HA 0.043 4.395 4.350 0.003 0.000 0.225 208 E C -0.769 175.761 176.600 -0.117 0.000 1.064 208 E CA 0.186 56.556 56.400 -0.051 0.000 1.695 208 E CB 0.596 30.289 29.700 -0.012 0.000 2.917 208 E HN 0.137 nan 8.360 nan 0.000 1.096 209 V N 5.134 124.909 119.914 -0.233 0.000 2.394 209 V HA 0.426 4.547 4.120 0.003 0.000 0.282 209 V C -2.381 173.386 176.094 -0.546 0.000 1.031 209 V CA -1.726 60.286 62.300 -0.481 0.000 0.881 209 V CB 1.282 32.871 31.823 -0.390 0.000 0.982 209 V HN 0.179 nan 8.190 nan 0.000 0.451 210 P HA 0.142 nan 4.420 nan 0.000 0.275 210 P C -0.573 176.458 177.300 -0.448 0.000 1.227 210 P CA -0.450 62.348 63.100 -0.503 0.000 0.781 210 P CB 1.074 32.469 31.700 -0.508 0.000 0.906 211 L N 4.522 125.613 121.223 -0.220 0.000 2.407 211 L HA 0.177 4.519 4.340 0.003 0.000 0.282 211 L C -0.101 176.724 176.870 -0.074 0.000 1.110 211 L CA -0.068 54.695 54.840 -0.129 0.000 0.863 211 L CB -0.685 41.361 42.059 -0.023 0.000 1.207 211 L HN 0.187 nan 8.230 nan 0.000 0.454 212 I N 5.455 125.955 120.570 -0.118 0.000 2.363 212 I HA 0.060 4.232 4.170 0.003 0.000 0.292 212 I C 1.517 177.684 176.117 0.083 0.000 1.075 212 I CA 0.258 61.536 61.300 -0.036 0.000 1.333 212 I CB 0.608 38.561 38.000 -0.079 0.000 1.415 212 I HN 0.786 nan 8.210 nan 0.000 0.502 213 T N 1.151 115.751 114.554 0.076 0.000 3.051 213 T HA 0.108 4.460 4.350 0.003 0.000 0.255 213 T C 1.442 176.189 174.700 0.078 0.000 1.085 213 T CA 0.529 62.684 62.100 0.091 0.000 1.109 213 T CB 0.278 69.135 68.868 -0.018 0.000 0.921 213 T HN 0.857 nan 8.240 nan 0.000 0.488 214 G N 1.479 110.200 108.800 -0.132 0.000 2.168 214 G HA2 -0.220 3.741 3.960 0.003 0.000 0.263 214 G HA3 -0.220 3.741 3.960 0.003 0.000 0.263 214 G C -0.128 174.498 174.900 -0.456 0.000 0.977 214 G CA 0.125 44.837 45.100 -0.646 0.000 0.659 214 G HN 0.658 nan 8.290 nan 0.000 0.533 215 Q N -0.089 119.562 119.800 -0.249 0.000 2.340 215 Q HA 0.487 4.828 4.340 0.003 0.000 0.259 215 Q C 1.356 177.242 176.000 -0.191 0.000 0.964 215 Q CA -0.668 54.999 55.803 -0.226 0.000 0.900 215 Q CB 1.066 29.690 28.738 -0.190 0.000 1.228 215 Q HN 0.492 nan 8.270 nan 0.000 0.449 216 R N 0.870 121.220 120.500 -0.251 0.000 2.083 216 R HA -0.147 4.195 4.340 0.003 0.000 0.237 216 R C 1.918 178.174 176.300 -0.073 0.000 1.137 216 R CA 1.449 57.378 56.100 -0.284 0.000 0.951 216 R CB -0.262 29.622 30.300 -0.694 0.000 0.851 216 R HN 0.387 nan 8.270 nan 0.000 0.434 217 V N 1.182 121.112 119.914 0.028 0.000 2.427 217 V HA -0.186 3.936 4.120 0.003 0.000 0.248 217 V C 1.965 178.199 176.094 0.233 0.000 1.051 217 V CA 1.581 64.042 62.300 0.268 0.000 1.048 217 V CB -0.148 31.864 31.823 0.315 0.000 0.666 217 V HN 0.255 nan 8.190 nan 0.000 0.456 218 I N -0.039 120.569 120.570 0.063 0.000 2.162 218 I HA -0.135 4.037 4.170 0.003 0.000 0.238 218 I C 2.277 178.487 176.117 0.155 0.000 1.076 218 I CA 1.854 63.182 61.300 0.046 0.000 1.353 218 I CB -0.573 37.213 38.000 -0.357 0.000 1.063 218 I HN 0.274 nan 8.210 nan 0.000 0.408 219 D N 0.333 120.787 120.400 0.088 0.000 2.178 219 D HA -0.123 4.519 4.640 0.003 0.000 0.201 219 D C 2.119 178.500 176.300 0.135 0.000 0.980 219 D CA 1.425 55.542 54.000 0.195 0.000 0.842 219 D CB -0.186 40.760 40.800 0.243 0.000 0.948 219 D HN 0.328 nan 8.370 nan 0.000 0.472 220 T N -0.703 113.798 114.554 -0.089 0.000 2.866 220 T HA 0.059 4.411 4.350 0.003 0.000 0.250 220 T C 1.724 176.001 174.700 -0.705 0.000 1.033 220 T CA 0.507 62.327 62.100 -0.466 0.000 1.145 220 T CB -0.201 68.228 68.868 -0.732 0.000 0.866 220 T HN 0.096 nan 8.240 nan 0.000 0.434 221 F N -0.269 119.480 119.950 -0.335 0.000 2.505 221 F HA 0.360 4.888 4.527 0.002 0.000 0.289 221 F C 0.349 175.656 175.800 -0.821 0.000 1.101 221 F CA -0.080 57.467 58.000 -0.755 0.000 1.446 221 F CB 0.437 38.731 39.000 -1.176 0.000 1.123 221 F HN 0.031 nan 8.300 nan 0.000 0.564 222 F N 1.152 121.344 119.950 0.403 0.000 2.577 222 F HA 0.359 4.887 4.527 0.002 0.000 0.342 222 F C -2.659 173.470 175.800 0.549 0.000 1.479 222 F CA -3.432 54.840 58.000 0.453 0.000 1.110 222 F CB -0.711 38.611 39.000 0.535 0.000 1.306 222 F HN -0.296 nan 8.300 nan 0.000 0.554 223 P HA -0.015 nan 4.420 nan 0.000 0.268 223 P C -0.398 177.234 177.300 0.554 0.000 1.205 223 P CA 0.039 63.436 63.100 0.495 0.000 0.771 223 P CB 1.143 33.104 31.700 0.435 0.000 0.858 224 Q N 2.258 122.358 119.800 0.499 0.000 2.241 224 Q HA 0.553 4.895 4.340 0.003 0.000 0.254 224 Q C -0.966 175.075 176.000 0.067 0.000 0.917 224 Q CA -0.654 55.378 55.803 0.382 0.000 0.919 224 Q CB 0.980 29.990 28.738 0.453 0.000 1.237 224 Q HN 0.536 nan 8.270 nan 0.000 0.434 225 A N 4.202 126.839 122.820 -0.306 0.000 2.327 225 A HA 0.391 4.713 4.320 0.003 0.000 0.283 225 A C -0.617 176.762 177.584 -0.342 0.000 1.127 225 A CA -0.613 51.124 52.037 -0.500 0.000 0.810 225 A CB 0.364 18.752 19.000 -1.020 0.000 1.066 225 A HN 0.816 nan 8.150 nan 0.000 0.492 226 K N 0.854 121.086 120.400 -0.279 0.000 2.466 226 K HA 0.258 4.580 4.320 0.003 0.000 0.278 226 K C 1.114 177.585 176.600 -0.216 0.000 1.048 226 K CA 1.317 57.478 56.287 -0.210 0.000 1.088 226 K CB 0.068 32.448 32.500 -0.200 0.000 0.884 226 K HN 1.439 nan 8.250 nan 0.000 0.478 227 G N 2.109 110.811 108.800 -0.164 0.000 2.175 227 G HA2 -0.220 3.741 3.960 0.003 0.000 0.244 227 G HA3 -0.220 3.741 3.960 0.003 0.000 0.244 227 G C 0.449 175.269 174.900 -0.133 0.000 0.982 227 G CA -0.211 44.798 45.100 -0.152 0.000 0.641 227 G HN 0.857 nan 8.290 nan 0.000 0.527 228 G N -0.674 108.031 108.800 -0.157 0.000 2.557 228 G HA2 0.737 4.699 3.960 0.003 0.000 0.292 228 G HA3 0.737 4.699 3.960 0.003 0.000 0.292 228 G C 0.182 175.148 174.900 0.109 0.000 1.237 228 G CA 0.579 45.653 45.100 -0.044 0.000 0.978 228 G HN 1.361 nan 8.290 nan 0.000 0.498 229 T N -2.787 111.908 114.554 0.234 0.000 2.809 229 T HA 0.729 5.081 4.350 0.003 0.000 0.284 229 T C -0.361 174.359 174.700 0.033 0.000 0.992 229 T CA -0.324 61.863 62.100 0.145 0.000 0.957 229 T CB 1.633 70.587 68.868 0.144 0.000 0.942 229 T HN 1.199 nan 8.240 nan 0.000 0.439 230 A N 2.296 125.089 122.820 -0.045 0.000 2.454 230 A HA 1.025 5.347 4.320 0.003 0.000 0.302 230 A C -0.430 177.038 177.584 -0.193 0.000 1.079 230 A CA -0.944 50.907 52.037 -0.311 0.000 0.731 230 A CB 1.571 20.157 19.000 -0.690 0.000 1.299 230 A HN 1.579 nan 8.150 nan 0.000 0.413 231 A N 0.786 123.458 122.820 -0.246 0.000 2.435 231 A HA 0.842 5.164 4.320 0.003 0.000 0.304 231 A C -0.475 177.105 177.584 -0.008 0.000 1.064 231 A CA -0.440 51.580 52.037 -0.027 0.000 0.727 231 A CB 0.775 19.808 19.000 0.054 0.000 1.284 231 A HN 1.737 nan 8.150 nan 0.000 0.415 232 I N -1.494 119.126 120.570 0.084 0.000 3.002 232 I HA 0.732 4.904 4.170 0.003 0.000 0.310 232 I C -2.936 173.270 176.117 0.148 0.000 1.087 232 I CA -3.129 58.204 61.300 0.055 0.000 1.017 232 I CB 2.219 40.294 38.000 0.126 0.000 1.226 232 I HN 0.222 nan 8.210 nan 0.000 0.443 233 P HA 0.161 nan 4.420 nan 0.000 0.271 233 P C 0.667 177.997 177.300 0.050 0.000 1.216 233 P CA -0.046 63.136 63.100 0.138 0.000 0.771 233 P CB 1.018 32.798 31.700 0.132 0.000 0.864 234 G N 2.636 111.442 108.800 0.010 0.000 2.650 234 G HA2 0.065 4.026 3.960 0.003 0.000 0.214 234 G HA3 0.065 4.026 3.960 0.003 0.000 0.214 234 G C 0.574 175.337 174.900 -0.227 0.000 1.136 234 G CA 0.222 45.264 45.100 -0.097 0.000 0.789 234 G HN 0.725 nan 8.290 nan 0.000 0.536 235 A N 0.345 123.103 122.820 -0.102 0.000 2.548 235 A HA 0.449 4.770 4.320 0.003 0.000 0.247 235 A C -0.114 177.423 177.584 -0.077 0.000 1.067 235 A CA -0.342 51.649 52.037 -0.076 0.000 0.757 235 A CB -0.219 18.809 19.000 0.047 0.000 0.996 235 A HN 0.198 nan 8.150 nan 0.000 0.504 236 F N 1.921 121.930 119.950 0.100 0.000 2.539 236 F HA 0.408 4.937 4.527 0.003 0.000 0.340 236 F C 1.552 177.412 175.800 0.101 0.000 1.185 236 F CA 1.640 59.699 58.000 0.099 0.000 1.333 236 F CB 0.384 39.438 39.000 0.089 0.000 1.152 236 F HN 1.195 nan 8.300 nan 0.000 0.602 237 G N 0.560 109.557 108.800 0.329 0.000 2.725 237 G HA2 -0.048 3.913 3.960 0.003 0.000 0.220 237 G HA3 -0.048 3.913 3.960 0.003 0.000 0.220 237 G C 0.218 175.243 174.900 0.210 0.000 1.357 237 G CA -0.591 44.648 45.100 0.232 0.000 0.866 237 G HN 1.358 nan 8.290 nan 0.000 0.548 238 S N -1.928 113.903 115.700 0.218 0.000 3.127 238 S HA 0.068 4.540 4.470 0.003 0.000 0.281 238 S C 2.678 177.453 174.600 0.292 0.000 1.293 238 S CA 2.155 60.499 58.200 0.240 0.000 1.156 238 S CB -1.471 61.829 63.200 0.167 0.000 1.389 238 S HN 2.961 nan 8.310 nan 0.000 0.672 239 G N 0.914 109.866 108.800 0.254 0.000 2.182 239 G HA2 -0.357 3.604 3.960 0.003 0.000 0.248 239 G HA3 -0.357 3.604 3.960 0.003 0.000 0.248 239 G C 0.488 175.491 174.900 0.173 0.000 1.042 239 G CA 1.161 46.380 45.100 0.199 0.000 0.775 239 G HN 0.685 nan 8.290 nan 0.000 0.501 240 K N -0.145 120.361 120.400 0.177 0.000 2.002 240 K HA -0.143 4.179 4.320 0.003 0.000 0.209 240 K C 2.864 179.563 176.600 0.164 0.000 1.048 240 K CA 2.336 58.719 56.287 0.160 0.000 0.930 240 K CB -0.417 32.169 32.500 0.143 0.000 0.714 240 K HN 0.606 nan 8.250 nan 0.000 0.438 241 T N -0.920 113.742 114.554 0.181 0.000 2.867 241 T HA -0.073 4.278 4.350 0.003 0.000 0.268 241 T C 1.978 176.754 174.700 0.127 0.000 1.057 241 T CA 1.368 63.569 62.100 0.168 0.000 1.136 241 T CB -0.337 68.634 68.868 0.171 0.000 0.874 241 T HN 0.038 nan 8.240 nan 0.000 0.466 242 V N 1.836 121.810 119.914 0.099 0.000 2.255 242 V HA -0.184 3.938 4.120 0.003 0.000 0.247 242 V C 3.084 179.208 176.094 0.051 0.000 1.051 242 V CA 2.504 64.829 62.300 0.041 0.000 1.018 242 V CB -1.346 30.479 31.823 0.003 0.000 0.641 242 V HN 0.583 nan 8.190 nan 0.000 0.445 243 T N -0.687 113.913 114.554 0.077 0.000 2.720 243 T HA -0.262 4.090 4.350 0.003 0.000 0.268 243 T C 1.936 176.695 174.700 0.099 0.000 1.037 243 T CA 1.738 63.879 62.100 0.068 0.000 1.144 243 T CB -0.263 68.651 68.868 0.077 0.000 0.864 243 T HN 0.548 nan 8.240 nan 0.000 0.444 244 Q N -0.414 119.476 119.800 0.151 0.000 2.084 244 Q HA -0.155 4.186 4.340 0.003 0.000 0.202 244 Q C 2.281 178.403 176.000 0.202 0.000 0.978 244 Q CA 1.431 57.355 55.803 0.202 0.000 0.844 244 Q CB -0.208 28.687 28.738 0.262 0.000 0.898 244 Q HN 0.546 nan 8.270 nan 0.000 0.426 245 H N 0.703 119.793 119.070 0.034 0.000 2.357 245 H HA -0.061 4.497 4.556 0.003 0.000 0.301 245 H C 2.066 177.381 175.328 -0.021 0.000 1.082 245 H CA 1.325 57.349 56.048 -0.038 0.000 1.342 245 H CB 0.222 29.913 29.762 -0.118 0.000 1.389 245 H HN 0.137 nan 8.280 nan 0.000 0.511 246 Q N 0.176 119.978 119.800 0.003 0.000 2.061 246 Q HA -0.137 4.205 4.340 0.003 0.000 0.204 246 Q C 2.703 178.766 176.000 0.105 0.000 0.984 246 Q CA 1.348 57.190 55.803 0.066 0.000 0.846 246 Q CB -0.470 28.316 28.738 0.080 0.000 0.902 246 Q HN 0.487 nan 8.270 nan 0.000 0.421 247 L N 0.047 121.314 121.223 0.073 0.000 2.017 247 L HA -0.195 4.146 4.340 0.003 0.000 0.208 247 L C 2.528 179.439 176.870 0.070 0.000 1.073 247 L CA 1.246 56.138 54.840 0.087 0.000 0.745 247 L CB -0.694 41.429 42.059 0.107 0.000 0.894 247 L HN 0.138 nan 8.230 nan 0.000 0.432 248 A N 0.952 123.799 122.820 0.045 0.000 1.902 248 A HA -0.222 4.100 4.320 0.003 0.000 0.217 248 A C 2.288 179.800 177.584 -0.121 0.000 1.181 248 A CA 2.089 54.135 52.037 0.015 0.000 0.623 248 A CB -0.399 18.657 19.000 0.093 0.000 0.818 248 A HN 0.558 nan 8.150 nan 0.000 0.443 249 K N -2.738 117.489 120.400 -0.288 0.000 2.314 249 K HA -0.022 4.300 4.320 0.003 0.000 0.198 249 K C 1.521 177.809 176.600 -0.520 0.000 1.045 249 K CA 0.770 56.752 56.287 -0.508 0.000 0.988 249 K CB -0.196 31.804 32.500 -0.833 0.000 0.783 249 K HN 0.634 nan 8.250 nan 0.000 0.484 250 W N 2.160 123.387 121.300 -0.122 0.000 2.915 250 W HA 0.248 4.910 4.660 0.003 0.000 0.276 250 W C 0.165 176.678 176.519 -0.009 0.000 1.215 250 W CA -0.633 56.665 57.345 -0.079 0.000 1.514 250 W CB 0.576 30.075 29.460 0.065 0.000 1.017 250 W HN -0.206 nan 8.180 nan 0.000 0.598 251 S N 2.184 118.001 115.700 0.194 0.000 2.560 251 S HA -0.066 4.405 4.470 0.003 0.000 0.284 251 S C 0.376 175.020 174.600 0.073 0.000 1.327 251 S CA -0.008 58.274 58.200 0.136 0.000 1.055 251 S CB 0.327 63.584 63.200 0.094 0.000 0.868 251 S HN 0.179 nan 8.310 nan 0.000 0.506 252 D N 0.771 121.207 120.400 0.060 0.000 2.977 252 D HA 0.258 4.899 4.640 0.003 0.000 0.241 252 D C 0.133 176.424 176.300 -0.016 0.000 1.206 252 D CA -0.286 53.723 54.000 0.015 0.000 0.902 252 D CB -0.568 40.239 40.800 0.012 0.000 1.131 252 D HN 0.409 nan 8.370 nan 0.000 0.447 253 A N 0.311 123.119 122.820 -0.021 0.000 2.303 253 A HA 0.375 4.696 4.320 0.003 0.000 0.317 253 A C 0.846 178.385 177.584 -0.075 0.000 1.149 253 A CA -0.645 51.370 52.037 -0.038 0.000 0.822 253 A CB 1.129 20.109 19.000 -0.034 0.000 1.131 253 A HN 0.085 nan 8.150 nan 0.000 0.493 254 Q N -0.029 119.711 119.800 -0.101 0.000 2.354 254 Q HA 0.215 4.557 4.340 0.003 0.000 0.203 254 Q C -0.209 175.602 176.000 -0.314 0.000 0.933 254 Q CA 0.907 56.588 55.803 -0.204 0.000 0.901 254 Q CB 0.438 29.020 28.738 -0.259 0.000 1.007 254 Q HN 0.499 nan 8.270 nan 0.000 0.495 255 V N 0.004 119.740 119.914 -0.297 0.000 2.789 255 V HA 0.458 4.580 4.120 0.003 0.000 0.311 255 V C -0.951 175.012 176.094 -0.219 0.000 1.073 255 V CA -0.989 61.085 62.300 -0.377 0.000 0.921 255 V CB 2.426 33.846 31.823 -0.670 0.000 1.009 255 V HN -0.244 nan 8.190 nan 0.000 0.426 256 V N 5.066 124.875 119.914 -0.174 0.000 2.448 256 V HA 0.536 4.657 4.120 0.003 0.000 0.295 256 V C -0.655 175.426 176.094 -0.022 0.000 1.025 256 V CA -0.532 61.737 62.300 -0.053 0.000 0.859 256 V CB 1.865 33.692 31.823 0.007 0.000 0.988 256 V HN 0.599 nan 8.190 nan 0.000 0.431 257 I N 4.950 125.540 120.570 0.033 0.000 2.354 257 I HA 0.368 4.540 4.170 0.003 0.000 0.286 257 I C -0.710 175.479 176.117 0.120 0.000 1.007 257 I CA -0.703 60.644 61.300 0.078 0.000 1.167 257 I CB 0.955 39.008 38.000 0.087 0.000 1.320 257 I HN 0.647 nan 8.210 nan 0.000 0.458 258 Y N 7.346 127.650 120.300 0.007 0.000 2.331 258 Y HA 0.645 5.197 4.550 0.003 0.000 0.338 258 Y C -0.436 175.453 175.900 -0.018 0.000 0.992 258 Y CA -0.530 57.570 58.100 0.000 0.000 1.121 258 Y CB 1.334 39.788 38.460 -0.010 0.000 1.184 258 Y HN 0.423 nan 8.280 nan 0.000 0.469 259 I N 6.358 126.626 120.570 -0.503 0.000 2.465 259 I HA 0.719 4.891 4.170 0.003 0.000 0.291 259 I C 0.353 176.185 176.117 -0.475 0.000 1.014 259 I CA -0.210 60.889 61.300 -0.335 0.000 1.093 259 I CB 1.691 39.545 38.000 -0.243 0.000 1.267 259 I HN 0.881 nan 8.210 nan 0.000 0.431 260 G N 2.671 111.376 108.800 -0.159 0.000 2.011 260 G HA2 -0.077 3.885 3.960 0.003 0.000 0.054 260 G HA3 -0.077 3.885 3.960 0.003 0.000 0.054 260 G C 0.170 175.130 174.900 0.101 0.000 0.853 260 G CA 0.158 45.235 45.100 -0.038 0.000 1.135 260 G HN 0.612 nan 8.290 nan 0.000 0.372 261 C N -0.031 119.401 119.300 0.219 0.000 4.784 261 C HA -0.077 4.385 4.460 0.003 0.000 0.261 261 C C 1.897 176.963 174.990 0.127 0.000 1.492 261 C CA 1.556 60.670 59.018 0.160 0.000 1.622 261 C CB -1.637 26.144 27.740 0.068 0.000 1.855 261 C HN 2.281 nan 8.230 nan 0.000 0.662 262 G N -1.038 107.845 108.800 0.139 0.000 3.651 262 G HA2 0.292 4.253 3.960 0.003 0.000 0.267 262 G HA3 0.292 4.253 3.960 0.003 0.000 0.267 262 G C 0.874 175.871 174.900 0.162 0.000 1.009 262 G CA 0.352 45.530 45.100 0.130 0.000 0.866 262 G HN 0.488 nan 8.290 nan 0.000 0.488 263 E N 0.888 121.225 120.200 0.228 0.000 2.274 263 E HA -0.012 4.340 4.350 0.003 0.000 0.194 263 E C 1.297 178.119 176.600 0.369 0.000 0.996 263 E CA 0.574 57.160 56.400 0.312 0.000 0.840 263 E CB 0.205 30.118 29.700 0.355 0.000 0.772 263 E HN 0.691 nan 8.360 nan 0.000 0.491 264 R N -1.909 118.738 120.500 0.245 0.000 2.867 264 R HA 0.597 4.939 4.340 0.003 0.000 0.268 264 R C 1.285 177.617 176.300 0.053 0.000 1.014 264 R CA -0.230 55.909 56.100 0.066 0.000 0.946 264 R CB 0.321 30.494 30.300 -0.211 0.000 1.208 264 R HN -0.170 nan 8.270 nan 0.000 0.477 265 G N 0.835 109.649 108.800 0.022 0.000 2.442 265 G HA2 -0.367 3.595 3.960 0.003 0.000 0.219 265 G HA3 -0.367 3.595 3.960 0.003 0.000 0.219 265 G C 0.934 175.863 174.900 0.049 0.000 1.141 265 G CA 1.269 46.391 45.100 0.037 0.000 0.763 265 G HN 0.833 nan 8.290 nan 0.000 0.554 266 N N -0.286 118.431 118.700 0.029 0.000 2.353 266 N HA 0.113 4.855 4.740 0.003 0.000 0.185 266 N C 1.584 177.139 175.510 0.075 0.000 1.098 266 N CA 0.775 53.856 53.050 0.051 0.000 0.872 266 N CB -0.088 38.412 38.487 0.021 0.000 0.970 266 N HN 0.421 nan 8.380 nan 0.000 0.467 267 E N 0.046 120.291 120.200 0.074 0.000 2.058 267 E HA -0.170 4.181 4.350 0.003 0.000 0.194 267 E C 1.411 178.063 176.600 0.085 0.000 0.997 267 E CA 1.271 57.730 56.400 0.097 0.000 0.801 267 E CB -0.028 29.753 29.700 0.135 0.000 0.746 267 E HN 0.318 nan 8.360 nan 0.000 0.450 268 M N 0.272 119.920 119.600 0.080 0.000 2.108 268 M HA -0.150 4.332 4.480 0.003 0.000 0.261 268 M C 2.303 178.613 176.300 0.017 0.000 1.066 268 M CA 1.537 56.858 55.300 0.035 0.000 1.107 268 M CB -1.171 31.463 32.600 0.056 0.000 1.356 268 M HN 0.129 nan 8.290 nan 0.000 0.406 269 T N 0.359 115.005 114.554 0.153 0.000 2.652 269 T HA -0.180 4.172 4.350 0.003 0.000 0.267 269 T C 1.334 176.111 174.700 0.128 0.000 1.039 269 T CA 1.935 64.201 62.100 0.277 0.000 1.153 269 T CB -0.453 68.609 68.868 0.323 0.000 0.863 269 T HN 0.331 nan 8.240 nan 0.000 0.428 270 D N 0.321 120.784 120.400 0.105 0.000 2.219 270 D HA -0.022 4.620 4.640 0.003 0.000 0.205 270 D C 2.047 178.430 176.300 0.138 0.000 0.970 270 D CA 0.327 54.384 54.000 0.095 0.000 0.851 270 D CB -0.233 40.617 40.800 0.084 0.000 0.943 270 D HN 0.175 nan 8.370 nan 0.000 0.488 271 V N 0.207 120.183 119.914 0.103 0.000 2.548 271 V HA -0.126 3.996 4.120 0.003 0.000 0.249 271 V C 1.997 178.077 176.094 -0.023 0.000 1.055 271 V CA 0.927 63.261 62.300 0.057 0.000 1.065 271 V CB -0.096 31.617 31.823 -0.183 0.000 0.681 271 V HN 0.184 nan 8.190 nan 0.000 0.462 272 L N -0.798 120.352 121.223 -0.122 0.000 2.162 272 L HA 0.045 4.387 4.340 0.003 0.000 0.205 272 L C 2.391 179.203 176.870 -0.096 0.000 1.086 272 L CA 1.662 56.376 54.840 -0.210 0.000 0.778 272 L CB -0.449 41.278 42.059 -0.553 0.000 0.928 272 L HN 0.244 nan 8.230 nan 0.000 0.446 273 E N -0.759 119.429 120.200 -0.021 0.000 2.099 273 E HA -0.034 4.318 4.350 0.003 0.000 0.191 273 E C 1.909 178.521 176.600 0.020 0.000 0.962 273 E CA 0.592 57.007 56.400 0.026 0.000 0.826 273 E CB 0.269 30.016 29.700 0.078 0.000 0.788 273 E HN 0.400 nan 8.360 nan 0.000 0.461 274 E N 0.104 120.319 120.200 0.025 0.000 2.127 274 E HA 0.008 4.360 4.350 0.003 0.000 0.191 274 E C 1.991 178.552 176.600 -0.065 0.000 0.964 274 E CA 0.131 56.511 56.400 -0.034 0.000 0.832 274 E CB -0.497 29.157 29.700 -0.077 0.000 0.790 274 E HN 0.148 nan 8.360 nan 0.000 0.465 275 F N 1.531 121.411 119.950 -0.117 0.000 2.192 275 F HA -0.121 4.408 4.527 0.003 0.000 0.301 275 F C -0.618 175.123 175.800 -0.099 0.000 1.079 275 F CA 1.353 59.274 58.000 -0.132 0.000 1.303 275 F CB -1.034 37.877 39.000 -0.149 0.000 1.024 275 F HN 0.130 nan 8.300 nan 0.000 0.494 276 P HA -0.118 nan 4.420 nan 0.000 0.230 276 P C 1.026 178.316 177.300 -0.017 0.000 1.158 276 P CA 1.210 64.323 63.100 0.022 0.000 0.769 276 P CB 0.015 31.719 31.700 0.007 0.000 0.807 277 K N -0.851 119.523 120.400 -0.044 0.000 2.262 277 K HA 0.120 4.442 4.320 0.003 0.000 0.200 277 K C 0.849 177.401 176.600 -0.080 0.000 1.049 277 K CA 0.190 56.443 56.287 -0.058 0.000 0.979 277 K CB -0.243 32.220 32.500 -0.061 0.000 0.773 277 K HN 0.264 nan 8.250 nan 0.000 0.474 278 L N 2.879 124.030 121.223 -0.121 0.000 2.490 278 L HA -0.014 4.327 4.340 0.003 0.000 0.274 278 L C 0.406 177.221 176.870 -0.092 0.000 1.201 278 L CA 0.314 55.082 54.840 -0.121 0.000 0.869 278 L CB 0.044 41.986 42.059 -0.197 0.000 1.123 278 L HN -0.167 nan 8.230 nan 0.000 0.484 279 K N 2.053 122.391 120.400 -0.104 0.000 2.206 279 K HA 0.214 4.536 4.320 0.003 0.000 0.264 279 K C -0.786 175.689 176.600 -0.210 0.000 0.967 279 K CA -0.825 55.383 56.287 -0.131 0.000 0.844 279 K CB 1.606 34.038 32.500 -0.114 0.000 1.099 279 K HN 0.431 nan 8.250 nan 0.000 0.441 280 D N 4.311 124.584 120.400 -0.212 0.000 2.346 280 D HA 0.039 4.681 4.640 0.003 0.000 0.260 280 D C -1.323 174.774 176.300 -0.338 0.000 1.252 280 D CA -1.751 52.071 54.000 -0.296 0.000 0.895 280 D CB 0.979 41.643 40.800 -0.226 0.000 1.097 280 D HN 0.150 nan 8.370 nan 0.000 0.489 281 P HA -0.113 nan 4.420 nan 0.000 0.226 281 P C 0.579 177.658 177.300 -0.368 0.000 1.153 281 P CA 0.840 63.636 63.100 -0.505 0.000 0.777 281 P CB 0.291 31.406 31.700 -0.975 0.000 0.794 282 K N -0.270 119.897 120.400 -0.389 0.000 2.296 282 K HA 0.001 4.322 4.320 0.003 0.000 0.200 282 K C 1.795 178.315 176.600 -0.133 0.000 1.048 282 K CA 1.777 57.935 56.287 -0.215 0.000 0.966 282 K CB -0.226 32.145 32.500 -0.215 0.000 0.754 282 K HN 0.304 nan 8.250 nan 0.000 0.466 283 T N -5.304 109.166 114.554 -0.141 0.000 2.966 283 T HA 0.235 4.586 4.350 0.003 0.000 0.254 283 T C 1.448 176.100 174.700 -0.080 0.000 0.961 283 T CA 0.360 62.404 62.100 -0.094 0.000 0.915 283 T CB 0.905 69.719 68.868 -0.090 0.000 1.186 283 T HN 0.215 nan 8.240 nan 0.000 0.505 284 G N 1.805 110.545 108.800 -0.101 0.000 2.179 284 G HA2 -0.220 3.742 3.960 0.003 0.000 0.260 284 G HA3 -0.220 3.742 3.960 0.003 0.000 0.260 284 G C 0.118 174.974 174.900 -0.074 0.000 0.977 284 G CA 0.277 45.329 45.100 -0.081 0.000 0.641 284 G HN 0.621 nan 8.290 nan 0.000 0.533 285 K N 0.629 120.981 120.400 -0.080 0.000 2.109 285 K HA 0.504 4.826 4.320 0.003 0.000 0.243 285 K C -2.495 174.059 176.600 -0.076 0.000 1.006 285 K CA -2.132 54.116 56.287 -0.065 0.000 0.917 285 K CB 0.518 32.986 32.500 -0.055 0.000 1.081 285 K HN -0.000 nan 8.250 nan 0.000 0.468 286 P HA 0.019 nan 4.420 nan 0.000 0.271 286 P C 0.713 177.975 177.300 -0.063 0.000 1.220 286 P CA -0.159 62.908 63.100 -0.055 0.000 0.768 286 P CB 0.469 32.150 31.700 -0.032 0.000 0.848 287 L N 4.943 126.121 121.223 -0.074 0.000 2.187 287 L HA -0.174 4.168 4.340 0.003 0.000 0.213 287 L C 1.930 178.781 176.870 -0.031 0.000 1.100 287 L CA 1.798 56.593 54.840 -0.076 0.000 0.765 287 L CB -1.056 40.959 42.059 -0.074 0.000 0.904 287 L HN 0.407 nan 8.230 nan 0.000 0.437 288 M N -2.563 117.040 119.600 0.004 0.000 2.358 288 M HA -0.170 4.311 4.480 0.003 0.000 0.264 288 M C 1.498 177.792 176.300 -0.011 0.000 1.064 288 M CA 1.761 57.073 55.300 0.020 0.000 1.093 288 M CB -0.780 31.841 32.600 0.034 0.000 1.401 288 M HN 0.210 nan 8.290 nan 0.000 0.440 289 E N 1.288 121.474 120.200 -0.024 0.000 2.511 289 E HA -0.077 4.274 4.350 0.003 0.000 0.196 289 E C 0.367 176.929 176.600 -0.063 0.000 1.066 289 E CA 0.410 56.796 56.400 -0.022 0.000 0.871 289 E CB 0.077 29.768 29.700 -0.015 0.000 0.863 289 E HN 0.695 nan 8.360 nan 0.000 0.520 290 R N -0.585 119.853 120.500 -0.104 0.000 2.668 290 R HA 0.258 4.600 4.340 0.003 0.000 0.435 290 R C -0.514 175.671 176.300 -0.193 0.000 1.059 290 R CA -0.280 55.708 56.100 -0.188 0.000 1.073 290 R CB -0.208 29.948 30.300 -0.240 0.000 1.401 290 R HN -0.222 nan 8.270 nan 0.000 0.590 291 T N -0.276 114.211 114.554 -0.112 0.000 2.893 291 T HA 0.645 4.997 4.350 0.003 0.000 0.291 291 T C -0.868 173.807 174.700 -0.041 0.000 1.028 291 T CA -0.700 61.359 62.100 -0.069 0.000 0.995 291 T CB 2.493 71.362 68.868 0.002 0.000 1.051 291 T HN -0.054 nan 8.240 nan 0.000 0.470 292 V N 3.273 123.185 119.914 -0.004 0.000 2.588 292 V HA 0.518 4.640 4.120 0.003 0.000 0.304 292 V C -0.614 175.519 176.094 0.065 0.000 1.042 292 V CA -0.866 61.468 62.300 0.056 0.000 0.877 292 V CB 1.672 33.602 31.823 0.178 0.000 0.996 292 V HN 0.699 nan 8.190 nan 0.000 0.425 293 L N 5.359 126.588 121.223 0.011 0.000 2.317 293 L HA 0.617 4.958 4.340 0.003 0.000 0.281 293 L C -0.861 176.054 176.870 0.075 0.000 1.024 293 L CA -0.594 54.257 54.840 0.017 0.000 0.810 293 L CB 1.755 43.739 42.059 -0.125 0.000 1.240 293 L HN 0.400 nan 8.230 nan 0.000 0.427 294 I N 2.755 123.386 120.570 0.101 0.000 2.389 294 I HA 0.488 4.659 4.170 0.003 0.000 0.288 294 I C 0.133 176.288 176.117 0.064 0.000 0.999 294 I CA -0.428 60.937 61.300 0.108 0.000 1.129 294 I CB 1.667 39.723 38.000 0.093 0.000 1.288 294 I HN 0.577 nan 8.210 nan 0.000 0.444 295 A N 6.683 129.543 122.820 0.067 0.000 2.304 295 A HA 0.707 5.028 4.320 0.003 0.000 0.323 295 A C -0.434 177.185 177.584 0.057 0.000 1.195 295 A CA -0.638 51.429 52.037 0.051 0.000 0.826 295 A CB 0.574 19.593 19.000 0.031 0.000 1.184 295 A HN 0.686 nan 8.150 nan 0.000 0.496 296 N N 1.768 120.503 118.700 0.058 0.000 2.483 296 N HA 0.547 5.289 4.740 0.003 0.000 0.267 296 N C -0.948 174.607 175.510 0.074 0.000 0.998 296 N CA -0.056 53.035 53.050 0.067 0.000 0.918 296 N CB 1.974 40.506 38.487 0.074 0.000 1.215 296 N HN 0.636 nan 8.380 nan 0.000 0.500 297 T N -0.925 113.671 114.554 0.069 0.000 2.906 297 T HA 0.276 4.628 4.350 0.003 0.000 0.295 297 T C 1.263 176.000 174.700 0.061 0.000 1.075 297 T CA -0.556 61.586 62.100 0.070 0.000 1.005 297 T CB 1.785 70.694 68.868 0.069 0.000 1.136 297 T HN 0.172 nan 8.240 nan 0.000 0.498 298 S N 1.399 117.135 115.700 0.061 0.000 2.423 298 S HA -0.155 4.317 4.470 0.003 0.000 0.238 298 S C 1.896 176.523 174.600 0.045 0.000 1.028 298 S CA 1.334 59.564 58.200 0.050 0.000 1.000 298 S CB -0.382 62.849 63.200 0.052 0.000 0.797 298 S HN 0.682 nan 8.310 nan 0.000 0.487 299 N N 0.407 119.137 118.700 0.050 0.000 2.409 299 N HA 0.051 4.793 4.740 0.003 0.000 0.179 299 N C 0.382 175.919 175.510 0.045 0.000 1.032 299 N CA 0.429 53.507 53.050 0.047 0.000 0.898 299 N CB -0.187 38.331 38.487 0.053 0.000 0.971 299 N HN 0.429 nan 8.380 nan 0.000 0.441 300 M N 1.065 120.692 119.600 0.046 0.000 2.314 300 M HA 0.326 4.808 4.480 0.003 0.000 0.342 300 M C -2.318 174.004 176.300 0.037 0.000 1.171 300 M CA -1.903 53.424 55.300 0.045 0.000 1.098 300 M CB 1.068 33.699 32.600 0.051 0.000 1.559 300 M HN -0.307 nan 8.290 nan 0.000 0.459 301 P HA -0.042 nan 4.420 nan 0.000 0.262 301 P C 0.692 178.004 177.300 0.020 0.000 1.182 301 P CA -0.011 63.104 63.100 0.025 0.000 0.761 301 P CB 0.390 32.107 31.700 0.028 0.000 0.795 302 V N 3.164 123.080 119.914 0.002 0.000 2.546 302 V HA -0.303 3.819 4.120 0.003 0.000 0.254 302 V C 2.156 178.248 176.094 -0.004 0.000 1.076 302 V CA 2.649 64.941 62.300 -0.014 0.000 1.087 302 V CB -1.278 30.520 31.823 -0.042 0.000 0.674 302 V HN 0.690 nan 8.190 nan 0.000 0.470 303 A N -0.524 122.302 122.820 0.010 0.000 1.930 303 A HA 0.083 4.405 4.320 0.003 0.000 0.215 303 A C 2.397 180.014 177.584 0.054 0.000 1.176 303 A CA 1.501 53.555 52.037 0.028 0.000 0.632 303 A CB -0.504 18.511 19.000 0.026 0.000 0.819 303 A HN 0.537 nan 8.150 nan 0.000 0.445 304 A N 0.150 123.002 122.820 0.053 0.000 1.898 304 A HA -0.132 4.190 4.320 0.003 0.000 0.216 304 A C 2.224 179.858 177.584 0.084 0.000 1.181 304 A CA 1.401 53.478 52.037 0.067 0.000 0.620 304 A CB -0.446 18.589 19.000 0.059 0.000 0.819 304 A HN 0.517 nan 8.150 nan 0.000 0.442 305 R N -0.628 119.917 120.500 0.076 0.000 2.096 305 R HA -0.119 4.223 4.340 0.003 0.000 0.235 305 R C 2.219 178.613 176.300 0.157 0.000 1.127 305 R CA 1.214 57.376 56.100 0.102 0.000 0.968 305 R CB -0.248 30.098 30.300 0.078 0.000 0.861 305 R HN 0.620 nan 8.270 nan 0.000 0.440 306 E N 1.049 121.318 120.200 0.114 0.000 2.110 306 E HA -0.145 4.206 4.350 0.003 0.000 0.193 306 E C 1.640 178.407 176.600 0.279 0.000 0.988 306 E CA 1.420 57.919 56.400 0.164 0.000 0.804 306 E CB 0.071 29.828 29.700 0.094 0.000 0.745 306 E HN 0.325 nan 8.360 nan 0.000 0.458 307 A N 0.822 123.777 122.820 0.226 0.000 2.067 307 A HA -0.079 4.242 4.320 0.003 0.000 0.217 307 A C 2.315 180.028 177.584 0.214 0.000 1.156 307 A CA 1.399 53.607 52.037 0.284 0.000 0.683 307 A CB -0.522 18.580 19.000 0.171 0.000 0.808 307 A HN 0.415 nan 8.150 nan 0.000 0.455 308 S N 1.415 117.182 115.700 0.112 0.000 2.374 308 S HA -0.260 4.211 4.470 0.003 0.000 0.227 308 S C 1.938 176.496 174.600 -0.069 0.000 1.037 308 S CA 1.604 59.825 58.200 0.036 0.000 1.024 308 S CB -1.133 62.084 63.200 0.030 0.000 0.861 308 S HN 0.903 nan 8.310 nan 0.000 0.456 309 I N -1.982 118.433 120.570 -0.258 0.000 2.394 309 I HA -0.046 4.125 4.170 0.003 0.000 0.251 309 I C 2.190 178.119 176.117 -0.313 0.000 1.136 309 I CA 1.120 62.112 61.300 -0.513 0.000 1.425 309 I CB -0.711 36.596 38.000 -1.155 0.000 1.079 309 I HN 0.119 nan 8.210 nan 0.000 0.425 310 Y N 2.167 122.503 120.300 0.061 0.000 2.220 310 Y HA -0.105 4.446 4.550 0.002 0.000 0.291 310 Y C 2.969 178.938 175.900 0.117 0.000 1.129 310 Y CA 1.696 59.873 58.100 0.127 0.000 1.161 310 Y CB -1.396 37.131 38.460 0.111 0.000 0.997 310 Y HN 0.098 nan 8.280 nan 0.000 0.522 311 T N -0.204 114.476 114.554 0.210 0.000 2.635 311 T HA -0.235 4.117 4.350 0.003 0.000 0.267 311 T C 2.307 177.081 174.700 0.122 0.000 1.040 311 T CA 1.799 63.979 62.100 0.134 0.000 1.156 311 T CB -1.080 67.837 68.868 0.082 0.000 0.863 311 T HN 0.606 nan 8.240 nan 0.000 0.430 312 G N 0.719 109.577 108.800 0.097 0.000 2.446 312 G HA2 -0.181 3.780 3.960 0.003 0.000 0.217 312 G HA3 -0.181 3.780 3.960 0.003 0.000 0.217 312 G C 1.590 176.568 174.900 0.130 0.000 1.168 312 G CA 0.724 45.885 45.100 0.102 0.000 0.771 312 G HN 0.526 nan 8.290 nan 0.000 0.551 313 I N 0.543 121.201 120.570 0.147 0.000 2.439 313 I HA -0.086 4.086 4.170 0.003 0.000 0.251 313 I C 2.805 179.001 176.117 0.133 0.000 1.139 313 I CA 1.367 62.744 61.300 0.129 0.000 1.438 313 I CB 0.017 38.087 38.000 0.117 0.000 1.085 313 I HN 0.122 nan 8.210 nan 0.000 0.427 314 T N 1.243 115.900 114.554 0.171 0.000 2.746 314 T HA -0.162 4.189 4.350 0.003 0.000 0.267 314 T C 1.857 176.644 174.700 0.145 0.000 1.039 314 T CA 1.798 63.995 62.100 0.161 0.000 1.142 314 T CB -0.283 68.717 68.868 0.220 0.000 0.866 314 T HN 0.307 nan 8.240 nan 0.000 0.444 315 I N 1.245 121.919 120.570 0.173 0.000 2.226 315 I HA -0.166 4.006 4.170 0.003 0.000 0.245 315 I C 2.927 179.262 176.117 0.362 0.000 1.100 315 I CA 0.987 62.437 61.300 0.250 0.000 1.374 315 I CB -0.504 37.660 38.000 0.274 0.000 1.057 315 I HN 0.201 nan 8.210 nan 0.000 0.413 316 A N 0.712 123.689 122.820 0.261 0.000 1.865 316 A HA -0.247 4.074 4.320 0.003 0.000 0.217 316 A C 2.197 179.885 177.584 0.172 0.000 1.191 316 A CA 1.826 53.996 52.037 0.222 0.000 0.623 316 A CB -0.674 18.391 19.000 0.108 0.000 0.826 316 A HN 0.432 nan 8.150 nan 0.000 0.444 317 E N -1.717 118.542 120.200 0.100 0.000 2.118 317 E HA -0.245 4.107 4.350 0.003 0.000 0.195 317 E C 1.858 178.462 176.600 0.008 0.000 0.992 317 E CA 1.577 57.993 56.400 0.027 0.000 0.804 317 E CB -0.336 29.361 29.700 -0.004 0.000 0.741 317 E HN 0.803 nan 8.360 nan 0.000 0.458 318 Y N 0.309 120.547 120.300 -0.103 0.000 2.181 318 Y HA -0.229 4.322 4.550 0.003 0.000 0.288 318 Y C 1.721 177.472 175.900 -0.250 0.000 1.146 318 Y CA 1.458 59.424 58.100 -0.223 0.000 1.164 318 Y CB -0.337 37.959 38.460 -0.272 0.000 0.982 318 Y HN -0.058 nan 8.280 nan 0.000 0.515 319 F N 0.854 120.706 119.950 -0.163 0.000 2.186 319 F HA -0.129 4.399 4.527 0.003 0.000 0.299 319 F C 2.523 178.267 175.800 -0.093 0.000 1.090 319 F CA 1.757 59.658 58.000 -0.165 0.000 1.307 319 F CB -0.618 38.362 39.000 -0.033 0.000 1.019 319 F HN 0.054 nan 8.300 nan 0.000 0.489 320 R N 0.410 120.956 120.500 0.078 0.000 2.105 320 R HA -0.156 4.185 4.340 0.003 0.000 0.239 320 R C 1.415 177.640 176.300 -0.124 0.000 1.135 320 R CA 1.983 58.073 56.100 -0.017 0.000 0.967 320 R CB -1.161 29.110 30.300 -0.049 0.000 0.861 320 R HN 0.099 nan 8.270 nan 0.000 0.442 321 D N 0.916 121.212 120.400 -0.173 0.000 2.221 321 D HA -0.131 4.510 4.640 0.003 0.000 0.204 321 D C 1.780 177.924 176.300 -0.260 0.000 0.982 321 D CA 1.453 55.326 54.000 -0.212 0.000 0.857 321 D CB -0.146 40.520 40.800 -0.223 0.000 0.934 321 D HN 0.420 nan 8.370 nan 0.000 0.475 322 M N -1.076 118.329 119.600 -0.324 0.000 2.557 322 M HA 0.084 4.566 4.480 0.003 0.000 0.259 322 M C 1.303 177.347 176.300 -0.428 0.000 1.086 322 M CA 1.002 56.077 55.300 -0.376 0.000 1.096 322 M CB 0.330 32.684 32.600 -0.411 0.000 1.424 322 M HN 0.117 nan 8.290 nan 0.000 0.488 323 G N -0.372 108.222 108.800 -0.344 0.000 2.144 323 G HA2 -0.224 3.738 3.960 0.003 0.000 0.218 323 G HA3 -0.224 3.738 3.960 0.003 0.000 0.218 323 G C -0.373 174.326 174.900 -0.334 0.000 0.988 323 G CA -0.626 44.276 45.100 -0.330 0.000 0.659 323 G HN 0.361 nan 8.290 nan 0.000 0.522 324 Y N 1.374 121.624 120.300 -0.083 0.000 2.307 324 Y HA 0.500 5.052 4.550 0.003 0.000 0.324 324 Y C 0.662 176.519 175.900 -0.071 0.000 1.238 324 Y CA -1.176 56.886 58.100 -0.064 0.000 1.280 324 Y CB 0.703 39.141 38.460 -0.036 0.000 1.248 324 Y HN 0.037 nan 8.280 nan 0.000 0.508 325 D N 1.810 122.284 120.400 0.123 0.000 2.277 325 D HA 0.299 4.941 4.640 0.003 0.000 0.249 325 D C -0.723 175.589 176.300 0.019 0.000 1.134 325 D CA 0.027 54.043 54.000 0.027 0.000 0.863 325 D CB 1.792 42.587 40.800 -0.009 0.000 1.143 325 D HN 0.333 nan 8.370 nan 0.000 0.458 326 V N 0.479 120.394 119.914 0.002 0.000 2.823 326 V HA 0.789 4.911 4.120 0.003 0.000 0.312 326 V C -1.300 174.786 176.094 -0.014 0.000 1.072 326 V CA -0.724 61.565 62.300 -0.017 0.000 0.937 326 V CB 1.955 33.779 31.823 0.002 0.000 1.013 326 V HN 0.561 nan 8.190 nan 0.000 0.430 327 A N 5.927 128.741 122.820 -0.011 0.000 2.273 327 A HA 0.754 5.076 4.320 0.003 0.000 0.315 327 A C -0.947 176.656 177.584 0.033 0.000 1.256 327 A CA -0.507 51.543 52.037 0.021 0.000 0.851 327 A CB 0.969 19.993 19.000 0.040 0.000 1.172 327 A HN 1.316 nan 8.150 nan 0.000 0.508 328 L N 3.986 125.226 121.223 0.028 0.000 2.255 328 L HA 0.604 4.946 4.340 0.003 0.000 0.289 328 L C -0.406 176.483 176.870 0.033 0.000 1.046 328 L CA 0.100 54.957 54.840 0.028 0.000 0.816 328 L CB 0.258 42.322 42.059 0.007 0.000 1.197 328 L HN 0.707 nan 8.230 nan 0.000 0.427 329 M N 5.430 125.049 119.600 0.030 0.000 2.167 329 M HA 0.662 5.144 4.480 0.003 0.000 0.333 329 M C -0.373 175.793 176.300 -0.224 0.000 1.030 329 M CA -0.410 54.892 55.300 0.004 0.000 0.963 329 M CB 1.797 34.496 32.600 0.165 0.000 1.589 329 M HN 0.691 nan 8.290 nan 0.000 0.431 330 A N 2.267 124.956 122.820 -0.219 0.000 2.330 330 A HA 0.641 4.963 4.320 0.003 0.000 0.313 330 A C -1.157 176.255 177.584 -0.285 0.000 1.124 330 A CA -0.477 51.350 52.037 -0.350 0.000 0.774 330 A CB 0.854 19.663 19.000 -0.318 0.000 1.198 330 A HN 0.737 nan 8.150 nan 0.000 0.465 331 D N 1.679 121.870 120.400 -0.349 0.000 2.468 331 D HA 0.336 4.978 4.640 0.003 0.000 0.272 331 D C -0.257 175.980 176.300 -0.105 0.000 1.221 331 D CA 0.377 54.288 54.000 -0.149 0.000 0.860 331 D CB 0.449 41.252 40.800 0.004 0.000 1.190 331 D HN 0.474 nan 8.370 nan 0.000 0.509 332 S N 0.428 116.062 115.700 -0.110 0.000 2.612 332 S HA 0.136 4.608 4.470 0.003 0.000 0.203 332 S C 0.941 175.572 174.600 0.051 0.000 0.965 332 S CA -0.493 57.696 58.200 -0.018 0.000 1.157 332 S CB 0.199 63.385 63.200 -0.023 0.000 1.526 332 S HN 0.057 nan 8.310 nan 0.000 0.423 333 T N 2.565 117.146 114.554 0.045 0.000 2.668 333 T HA -0.124 4.227 4.350 0.003 0.000 0.262 333 T C 2.320 177.162 174.700 0.237 0.000 1.045 333 T CA 2.158 64.351 62.100 0.154 0.000 1.152 333 T CB -0.579 68.342 68.868 0.088 0.000 0.864 333 T HN 0.814 nan 8.240 nan 0.000 0.419 334 S N 1.979 117.764 115.700 0.142 0.000 2.356 334 S HA -0.128 4.344 4.470 0.003 0.000 0.223 334 S C 2.117 176.786 174.600 0.116 0.000 1.032 334 S CA 0.868 59.141 58.200 0.122 0.000 1.005 334 S CB -0.372 62.891 63.200 0.104 0.000 0.867 334 S HN 0.213 nan 8.310 nan 0.000 0.449 335 R N 0.322 120.899 120.500 0.128 0.000 2.096 335 R HA 0.078 4.419 4.340 0.003 0.000 0.235 335 R C 1.799 178.175 176.300 0.126 0.000 1.127 335 R CA 1.403 57.569 56.100 0.111 0.000 0.968 335 R CB -0.974 29.393 30.300 0.110 0.000 0.861 335 R HN 0.762 nan 8.270 nan 0.000 0.440 336 W N 0.525 121.809 121.300 -0.026 0.000 2.407 336 W HA 0.005 4.666 4.660 0.002 0.000 0.305 336 W C 2.003 178.505 176.519 -0.029 0.000 1.196 336 W CA 1.471 58.788 57.345 -0.047 0.000 1.311 336 W CB -0.424 28.979 29.460 -0.095 0.000 1.135 336 W HN 0.065 nan 8.180 nan 0.000 0.514 337 A N 1.112 123.905 122.820 -0.045 0.000 1.933 337 A HA -0.253 4.069 4.320 0.003 0.000 0.218 337 A C 1.879 179.312 177.584 -0.252 0.000 1.175 337 A CA 1.875 53.723 52.037 -0.316 0.000 0.628 337 A CB -1.230 17.778 19.000 0.013 0.000 0.814 337 A HN 0.648 nan 8.150 nan 0.000 0.444 338 E N 0.074 120.204 120.200 -0.117 0.000 2.472 338 E HA 0.127 4.478 4.350 0.003 0.000 0.200 338 E C 1.328 177.855 176.600 -0.122 0.000 1.046 338 E CA 0.600 56.949 56.400 -0.086 0.000 0.871 338 E CB -0.331 29.355 29.700 -0.024 0.000 0.806 338 E HN 0.448 nan 8.360 nan 0.000 0.533 339 A N 1.634 124.338 122.820 -0.195 0.000 2.247 339 A HA 0.039 4.361 4.320 0.003 0.000 0.205 339 A C 0.867 178.331 177.584 -0.201 0.000 1.261 339 A CA 0.045 51.963 52.037 -0.198 0.000 0.853 339 A CB -0.412 18.436 19.000 -0.253 0.000 0.793 339 A HN 0.336 nan 8.150 nan 0.000 0.487 340 L N 1.061 122.174 121.223 -0.183 0.000 2.456 340 L HA 0.316 4.658 4.340 0.003 0.000 0.272 340 L C 0.552 177.362 176.870 -0.100 0.000 1.189 340 L CA 0.697 55.455 54.840 -0.137 0.000 0.846 340 L CB 0.468 42.459 42.059 -0.112 0.000 1.111 340 L HN 0.713 nan 8.230 nan 0.000 0.475 341 R N 3.013 123.464 120.500 -0.082 0.000 2.739 341 R HA 0.476 4.818 4.340 0.003 0.000 0.271 341 R C -1.012 175.249 176.300 -0.066 0.000 1.010 341 R CA -0.951 55.101 56.100 -0.080 0.000 0.897 341 R CB 1.565 31.816 30.300 -0.080 0.000 1.236 341 R HN 0.540 nan 8.270 nan 0.000 0.466 342 E N 3.821 123.977 120.200 -0.074 0.000 2.343 342 E HA 0.301 4.652 4.350 0.003 0.000 0.269 342 E C -0.082 176.485 176.600 -0.057 0.000 1.047 342 E CA -0.572 55.792 56.400 -0.060 0.000 0.874 342 E CB 1.314 30.979 29.700 -0.059 0.000 1.033 342 E HN 0.550 nan 8.360 nan 0.000 0.409 343 I N -1.371 119.168 120.570 -0.052 0.000 2.969 343 I HA 0.620 4.791 4.170 0.003 0.000 0.307 343 I C -1.293 174.790 176.117 -0.057 0.000 1.149 343 I CA -0.960 60.304 61.300 -0.060 0.000 1.008 343 I CB 1.637 39.589 38.000 -0.079 0.000 1.232 343 I HN 0.622 nan 8.210 nan 0.000 0.435 344 S N 1.650 117.313 115.700 -0.062 0.000 2.689 344 S HA 0.849 5.321 4.470 0.003 0.000 0.274 344 S C -0.098 174.459 174.600 -0.071 0.000 1.176 344 S CA 0.192 58.358 58.200 -0.058 0.000 1.014 344 S CB 1.214 64.392 63.200 -0.037 0.000 1.071 344 S HN 2.144 nan 8.310 nan 0.000 0.478 345 G N 2.417 111.166 108.800 -0.086 0.000 4.020 345 G HA2 0.103 4.064 3.960 0.003 0.000 0.195 345 G HA3 0.103 4.064 3.960 0.003 0.000 0.195 345 G C -0.222 174.595 174.900 -0.138 0.000 1.819 345 G CA -0.035 45.006 45.100 -0.099 0.000 1.109 345 G HN 0.849 nan 8.290 nan 0.000 0.385 356 Y N -0.255 120.038 120.300 -0.011 0.000 2.798 356 Y HA -0.233 4.318 4.550 0.002 0.000 0.088 356 Y C -1.445 174.510 175.900 0.092 0.000 1.901 356 Y CA 0.286 58.379 58.100 -0.012 0.000 1.157 356 Y CB -0.668 37.687 38.460 -0.175 0.000 1.804 356 Y HN 0.580 nan 8.280 nan 0.000 0.304 357 P HA -0.215 nan 4.420 nan 0.000 0.205 357 P C 0.632 178.043 177.300 0.185 0.000 1.181 357 P CA 2.259 65.455 63.100 0.160 0.000 0.933 357 P CB 0.104 31.869 31.700 0.108 0.000 0.775 358 A N -2.515 120.415 122.820 0.185 0.000 3.077 358 A HA 0.142 4.464 4.320 0.003 0.000 0.255 358 A C 0.340 178.058 177.584 0.224 0.000 1.728 358 A CA 0.256 52.389 52.037 0.160 0.000 1.383 358 A CB -1.823 17.248 19.000 0.118 0.000 1.097 358 A HN 0.366 nan 8.150 nan 0.000 0.634 359 Y N 0.191 120.531 120.300 0.067 0.000 2.498 359 Y HA 0.028 4.579 4.550 0.002 0.000 0.298 359 Y C 1.181 177.123 175.900 0.069 0.000 0.994 359 Y CA 0.362 58.481 58.100 0.031 0.000 0.958 359 Y CB 0.003 38.441 38.460 -0.038 0.000 1.402 359 Y HN 0.312 nan 8.280 nan 0.000 0.581 360 L N 0.611 121.974 121.223 0.232 0.000 2.265 360 L HA 0.255 4.597 4.340 0.003 0.000 0.215 360 L C 1.614 178.544 176.870 0.099 0.000 1.117 360 L CA 2.121 57.057 54.840 0.160 0.000 0.782 360 L CB -1.329 40.816 42.059 0.143 0.000 0.914 360 L HN 0.236 nan 8.230 nan 0.000 0.441 361 A N -1.451 121.415 122.820 0.077 0.000 2.469 361 A HA 0.249 4.571 4.320 0.003 0.000 0.245 361 A C 2.129 179.741 177.584 0.047 0.000 1.221 361 A CA 0.496 52.587 52.037 0.091 0.000 0.946 361 A CB -0.221 18.833 19.000 0.089 0.000 1.049 361 A HN 0.330 nan 8.150 nan 0.000 0.529 362 S N -0.336 115.340 115.700 -0.040 0.000 2.428 362 S HA -0.078 4.393 4.470 0.003 0.000 0.230 362 S C 1.956 176.495 174.600 -0.101 0.000 1.014 362 S CA 1.766 59.911 58.200 -0.091 0.000 0.957 362 S CB -0.106 62.989 63.200 -0.174 0.000 0.784 362 S HN 0.381 nan 8.310 nan 0.000 0.499 363 K N 0.937 121.255 120.400 -0.138 0.000 2.128 363 K HA 0.277 4.598 4.320 0.003 0.000 0.202 363 K C 1.844 178.565 176.600 0.202 0.000 1.050 363 K CA 0.584 56.861 56.287 -0.017 0.000 0.966 363 K CB -0.765 31.694 32.500 -0.069 0.000 0.759 363 K HN 0.322 nan 8.250 nan 0.000 0.454 364 L N 0.630 121.988 121.223 0.226 0.000 2.129 364 L HA -0.164 4.178 4.340 0.003 0.000 0.212 364 L C 1.890 178.996 176.870 0.393 0.000 1.087 364 L CA 2.111 57.138 54.840 0.311 0.000 0.757 364 L CB -0.748 41.500 42.059 0.315 0.000 0.896 364 L HN 0.205 nan 8.230 nan 0.000 0.434 365 A N -0.966 122.006 122.820 0.253 0.000 1.873 365 A HA -0.212 4.110 4.320 0.003 0.000 0.215 365 A C 2.175 179.881 177.584 0.202 0.000 1.186 365 A CA 1.662 53.825 52.037 0.209 0.000 0.616 365 A CB -0.631 18.429 19.000 0.100 0.000 0.823 365 A HN 0.483 nan 8.150 nan 0.000 0.442 366 E N -1.103 119.201 120.200 0.173 0.000 2.204 366 E HA -0.111 4.241 4.350 0.003 0.000 0.195 366 E C 1.489 178.219 176.600 0.217 0.000 0.990 366 E CA 1.062 57.559 56.400 0.162 0.000 0.821 366 E CB -0.348 29.428 29.700 0.127 0.000 0.750 366 E HN 0.709 nan 8.360 nan 0.000 0.477 367 F N -0.396 119.634 119.950 0.133 0.000 2.060 367 F HA -0.229 4.299 4.527 0.002 0.000 0.295 367 F C 1.639 177.402 175.800 -0.062 0.000 1.120 367 F CA 1.457 59.461 58.000 0.005 0.000 1.205 367 F CB -0.557 38.318 39.000 -0.208 0.000 0.986 367 F HN 0.017 nan 8.300 nan 0.000 0.470 368 Y N 0.921 121.064 120.300 -0.262 0.000 2.333 368 Y HA -0.157 4.395 4.550 0.003 0.000 0.290 368 Y C 2.596 178.358 175.900 -0.231 0.000 1.144 368 Y CA 1.682 59.563 58.100 -0.364 0.000 1.228 368 Y CB -0.697 37.711 38.460 -0.088 0.000 0.985 368 Y HN 0.234 nan 8.280 nan 0.000 0.542 369 E N 1.065 121.287 120.200 0.036 0.000 2.265 369 E HA -0.197 4.155 4.350 0.003 0.000 0.196 369 E C 1.532 178.125 176.600 -0.011 0.000 0.996 369 E CA 0.868 57.288 56.400 0.032 0.000 0.832 369 E CB -0.031 29.710 29.700 0.068 0.000 0.756 369 E HN 0.467 nan 8.360 nan 0.000 0.491 370 R N 0.044 120.491 120.500 -0.089 0.000 2.299 370 R HA 0.176 4.517 4.340 0.003 0.000 0.197 370 R C 0.890 177.106 176.300 -0.140 0.000 0.971 370 R CA 0.311 56.366 56.100 -0.075 0.000 1.030 370 R CB 0.151 30.422 30.300 -0.049 0.000 0.932 370 R HN 0.002 nan 8.270 nan 0.000 0.477 371 A N 1.014 123.718 122.820 -0.193 0.000 2.445 371 A HA 0.539 4.861 4.320 0.003 0.000 0.242 371 A C 0.419 177.924 177.584 -0.132 0.000 1.075 371 A CA 0.627 52.566 52.037 -0.162 0.000 0.777 371 A CB 0.429 19.350 19.000 -0.131 0.000 1.013 371 A HN 0.347 nan 8.150 nan 0.000 0.493 372 G N 0.268 108.977 108.800 -0.152 0.000 2.358 372 G HA2 0.409 4.370 3.960 0.003 0.000 0.303 372 G HA3 0.409 4.370 3.960 0.003 0.000 0.303 372 G C -1.022 173.753 174.900 -0.209 0.000 1.537 372 G CA -0.892 44.100 45.100 -0.181 0.000 0.928 372 G HN 0.889 nan 8.290 nan 0.000 0.656 373 R N -0.226 120.155 120.500 -0.200 0.000 2.312 373 R HA 0.735 5.077 4.340 0.003 0.000 0.311 373 R C 0.016 176.176 176.300 -0.233 0.000 1.004 373 R CA -0.490 55.493 56.100 -0.195 0.000 0.902 373 R CB 1.423 31.628 30.300 -0.159 0.000 1.073 373 R HN 1.173 nan 8.270 nan 0.000 0.457 374 V N 1.162 120.922 119.914 -0.257 0.000 3.007 374 V HA 0.505 4.627 4.120 0.003 0.000 0.311 374 V C -0.590 175.376 176.094 -0.212 0.000 1.120 374 V CA -1.041 61.086 62.300 -0.289 0.000 0.980 374 V CB 2.029 33.543 31.823 -0.515 0.000 1.033 374 V HN 0.422 nan 8.190 nan 0.000 0.429 375 V N 3.643 123.458 119.914 -0.165 0.000 2.470 375 V HA 0.378 4.500 4.120 0.003 0.000 0.276 375 V C 1.186 177.205 176.094 -0.125 0.000 1.040 375 V CA 0.742 62.900 62.300 -0.235 0.000 1.008 375 V CB 0.655 32.370 31.823 -0.181 0.000 0.990 375 V HN 1.232 nan 8.190 nan 0.000 0.477 376 T N 3.889 118.340 114.554 -0.171 0.000 2.816 376 T HA 0.568 4.920 4.350 0.003 0.000 0.282 376 T C 0.082 174.740 174.700 -0.070 0.000 0.993 376 T CA -0.815 61.229 62.100 -0.094 0.000 0.994 376 T CB 0.686 69.468 68.868 -0.143 0.000 1.025 376 T HN 0.333 nan 8.240 nan 0.000 0.529 377 L N 1.462 122.657 121.223 -0.047 0.000 2.483 377 L HA 0.519 4.861 4.340 0.003 0.000 0.276 377 L C 1.190 178.021 176.870 -0.065 0.000 1.213 377 L CA 0.556 55.367 54.840 -0.050 0.000 0.843 377 L CB -0.374 41.653 42.059 -0.053 0.000 1.107 377 L HN 1.239 nan 8.230 nan 0.000 0.487 378 G N 0.992 109.764 108.800 -0.046 0.000 2.333 378 G HA2 -0.029 3.933 3.960 0.003 0.000 0.330 378 G HA3 -0.029 3.933 3.960 0.003 0.000 0.330 378 G C -0.065 174.821 174.900 -0.023 0.000 1.465 378 G CA -0.201 44.874 45.100 -0.043 0.000 0.996 378 G HN 0.445 nan 8.290 nan 0.000 0.655 379 S N -0.083 115.608 115.700 -0.015 0.000 2.414 379 S HA 0.062 4.534 4.470 0.003 0.000 0.227 379 S C 0.902 175.510 174.600 0.014 0.000 1.022 379 S CA 1.313 59.514 58.200 0.001 0.000 0.958 379 S CB -0.202 62.998 63.200 -0.000 0.000 0.797 379 S HN 0.875 nan 8.310 nan 0.000 0.493 380 D N 0.428 120.830 120.400 0.004 0.000 2.255 380 D HA 0.025 4.666 4.640 0.003 0.000 0.249 380 D C -0.464 175.862 176.300 0.042 0.000 1.078 380 D CA -0.547 53.468 54.000 0.025 0.000 0.896 380 D CB 0.508 41.307 40.800 -0.001 0.000 1.194 380 D HN 0.216 nan 8.370 nan 0.000 0.429 381 Y N 1.865 122.147 120.300 -0.030 0.000 2.650 381 Y HA 0.122 4.674 4.550 0.003 0.000 0.331 381 Y C 0.195 176.069 175.900 -0.042 0.000 1.165 381 Y CA 0.402 58.483 58.100 -0.030 0.000 1.473 381 Y CB 0.406 38.852 38.460 -0.024 0.000 1.224 381 Y HN 0.453 nan 8.280 nan 0.000 0.533 382 R N 4.252 124.439 120.500 -0.522 0.000 2.584 382 R HA 0.693 5.035 4.340 0.003 0.000 0.276 382 R C -2.334 173.690 176.300 -0.460 0.000 1.046 382 R CA -0.711 55.168 56.100 -0.368 0.000 0.906 382 R CB 1.526 31.689 30.300 -0.228 0.000 1.215 382 R HN 0.526 nan 8.270 nan 0.000 0.449 383 V N 2.751 122.469 119.914 -0.327 0.000 2.588 383 V HA 0.851 4.973 4.120 0.003 0.000 0.304 383 V C 0.118 176.098 176.094 -0.190 0.000 1.042 383 V CA -0.400 61.740 62.300 -0.265 0.000 0.877 383 V CB 1.822 33.524 31.823 -0.202 0.000 0.996 383 V HN 0.948 nan 8.190 nan 0.000 0.425 384 G N 2.278 110.973 108.800 -0.175 0.000 2.725 384 G HA2 0.854 4.816 3.960 0.003 0.000 0.288 384 G HA3 0.854 4.816 3.960 0.003 0.000 0.288 384 G C -0.957 173.864 174.900 -0.131 0.000 1.399 384 G CA -0.178 44.842 45.100 -0.133 0.000 0.859 384 G HN 1.055 nan 8.290 nan 0.000 0.479 385 S N -1.893 113.749 115.700 -0.096 0.000 2.570 385 S HA 0.721 5.193 4.470 0.003 0.000 0.270 385 S C -1.574 172.981 174.600 -0.076 0.000 1.149 385 S CA -0.732 57.402 58.200 -0.111 0.000 0.837 385 S CB 1.920 65.051 63.200 -0.116 0.000 1.124 385 S HN 0.989 nan 8.310 nan 0.000 0.465 386 V N 2.152 122.011 119.914 -0.092 0.000 2.407 386 V HA 0.590 4.712 4.120 0.003 0.000 0.291 386 V C -0.390 175.657 176.094 -0.078 0.000 1.018 386 V CA -0.471 61.788 62.300 -0.068 0.000 0.842 386 V CB 1.480 33.261 31.823 -0.070 0.000 0.996 386 V HN 0.977 nan 8.190 nan 0.000 0.426 387 S N 3.840 119.510 115.700 -0.049 0.000 2.489 387 S HA 0.663 5.134 4.470 0.003 0.000 0.291 387 S C -0.276 174.320 174.600 -0.006 0.000 1.151 387 S CA -0.586 57.596 58.200 -0.030 0.000 1.082 387 S CB 1.882 65.077 63.200 -0.008 0.000 1.019 387 S HN 0.439 nan 8.310 nan 0.000 0.492 388 V N 4.282 124.198 119.914 0.003 0.000 2.398 388 V HA 0.460 4.582 4.120 0.003 0.000 0.286 388 V C -0.479 175.664 176.094 0.082 0.000 1.026 388 V CA -0.502 61.807 62.300 0.016 0.000 0.868 388 V CB 0.994 32.779 31.823 -0.064 0.000 0.982 388 V HN 0.774 nan 8.190 nan 0.000 0.443 389 I N 4.523 125.149 120.570 0.093 0.000 2.420 389 I HA 0.614 4.786 4.170 0.003 0.000 0.282 389 I C 0.611 176.782 176.117 0.091 0.000 1.019 389 I CA -0.154 61.216 61.300 0.116 0.000 1.130 389 I CB 1.677 39.808 38.000 0.218 0.000 1.262 389 I HN 0.696 nan 8.210 nan 0.000 0.454 390 G N 4.315 113.173 108.800 0.098 0.000 2.461 390 G HA2 0.717 4.678 3.960 0.003 0.000 0.323 390 G HA3 0.717 4.678 3.960 0.003 0.000 0.323 390 G C -0.493 174.434 174.900 0.045 0.000 1.229 390 G CA -0.575 44.557 45.100 0.053 0.000 0.941 390 G HN 0.701 nan 8.290 nan 0.000 0.477 391 A N 1.042 123.861 122.820 -0.002 0.000 2.425 391 A HA 0.622 4.944 4.320 0.003 0.000 0.249 391 A C -0.228 177.355 177.584 -0.001 0.000 1.084 391 A CA -0.206 51.837 52.037 0.009 0.000 0.781 391 A CB 0.918 19.905 19.000 -0.022 0.000 1.019 391 A HN 0.983 nan 8.150 nan 0.000 0.490 392 V N 2.033 121.969 119.914 0.036 0.000 2.482 392 V HA 0.463 4.585 4.120 0.003 0.000 0.295 392 V C -0.130 175.994 176.094 0.049 0.000 1.026 392 V CA -0.269 62.052 62.300 0.034 0.000 0.856 392 V CB 1.885 33.719 31.823 0.019 0.000 1.001 392 V HN 0.845 nan 8.190 nan 0.000 0.424 393 S N 7.086 122.818 115.700 0.054 0.000 2.664 393 S HA 0.439 4.910 4.470 0.003 0.000 0.262 393 S C -1.749 172.905 174.600 0.089 0.000 1.229 393 S CA -0.865 57.373 58.200 0.063 0.000 1.151 393 S CB 1.825 65.045 63.200 0.033 0.000 1.054 393 S HN 0.635 nan 8.310 nan 0.000 0.483 394 P HA -0.028 nan 4.420 nan 0.000 0.211 394 P C -1.744 175.614 177.300 0.097 0.000 0.969 394 P CA 1.497 64.665 63.100 0.113 0.000 0.938 394 P CB -0.754 31.045 31.700 0.164 0.000 0.603 395 P HA 0.278 nan 4.420 nan 0.000 0.255 395 P C -0.015 177.325 177.300 0.066 0.000 1.136 395 P CA 0.629 63.770 63.100 0.069 0.000 0.951 395 P CB 1.160 32.894 31.700 0.056 0.000 1.160 396 G N -1.073 107.769 108.800 0.070 0.000 2.040 396 G HA2 0.425 4.387 3.960 0.003 0.000 0.195 396 G HA3 0.425 4.387 3.960 0.003 0.000 0.195 396 G C 0.122 175.058 174.900 0.061 0.000 2.245 396 G CA 0.366 45.506 45.100 0.067 0.000 0.911 396 G HN 0.392 nan 8.290 nan 0.000 0.566 397 G N 3.010 111.854 108.800 0.073 0.000 2.652 397 G HA2 0.032 3.994 3.960 0.003 0.000 0.278 397 G HA3 0.032 3.994 3.960 0.003 0.000 0.278 397 G C 0.328 175.273 174.900 0.075 0.000 1.263 397 G CA 1.242 46.382 45.100 0.067 0.000 0.966 397 G HN 2.193 nan 8.290 nan 0.000 0.544 398 D N 2.139 122.550 120.400 0.018 0.000 2.424 398 D HA 0.471 5.113 4.640 0.003 0.000 0.244 398 D C 0.646 176.930 176.300 -0.027 0.000 1.134 398 D CA 0.051 54.014 54.000 -0.062 0.000 0.881 398 D CB 0.186 40.888 40.800 -0.163 0.000 1.191 398 D HN 0.772 nan 8.370 nan 0.000 0.445 399 F N 0.311 120.261 119.950 0.001 0.000 2.375 399 F HA 0.637 5.165 4.527 0.002 0.000 0.313 399 F C 0.677 176.471 175.800 -0.009 0.000 1.176 399 F CA -0.698 57.298 58.000 -0.007 0.000 1.142 399 F CB 0.784 39.767 39.000 -0.029 0.000 1.275 399 F HN 0.303 nan 8.300 nan 0.000 0.544 400 S N -0.948 114.880 115.700 0.213 0.000 4.406 400 S HA 0.169 4.641 4.470 0.003 0.000 0.160 400 S C 0.742 175.440 174.600 0.165 0.000 0.981 400 S CA -0.170 58.100 58.200 0.117 0.000 1.170 400 S CB 0.138 63.360 63.200 0.036 0.000 1.909 400 S HN 0.737 nan 8.310 nan 0.000 0.836 401 E N 0.865 121.128 120.200 0.106 0.000 2.485 401 E HA 0.222 4.574 4.350 0.003 0.000 0.213 401 E C -2.464 174.183 176.600 0.079 0.000 0.923 401 E CA -0.254 56.197 56.400 0.084 0.000 1.054 401 E CB 0.361 30.096 29.700 0.058 0.000 1.077 401 E HN 0.338 nan 8.360 nan 0.000 0.509 402 P HA 0.006 nan 4.420 nan 0.000 0.282 402 P C 0.696 178.056 177.300 0.099 0.000 1.262 402 P CA 0.164 63.314 63.100 0.084 0.000 0.773 402 P CB 1.081 32.827 31.700 0.077 0.000 0.879 403 V N 0.735 120.721 119.914 0.120 0.000 2.559 403 V HA -0.217 3.905 4.120 0.003 0.000 0.135 403 V C -0.416 175.707 176.094 0.049 0.000 0.457 403 V CA 1.363 63.749 62.300 0.143 0.000 1.255 403 V CB -2.528 29.428 31.823 0.221 0.000 1.469 403 V HN 0.302 nan 8.190 nan 0.000 1.017 404 V N 0.712 120.639 119.914 0.022 0.000 2.569 404 V HA 0.619 4.740 4.120 0.003 0.000 0.301 404 V C 0.545 176.607 176.094 -0.053 0.000 1.044 404 V CA 0.116 62.376 62.300 -0.067 0.000 0.874 404 V CB 1.422 33.195 31.823 -0.083 0.000 1.002 404 V HN 0.725 nan 8.190 nan 0.000 0.424 405 Q N 2.472 122.205 119.800 -0.112 0.000 2.470 405 Q HA -0.225 4.117 4.340 0.003 0.000 0.290 405 Q C 0.460 176.438 176.000 -0.037 0.000 1.353 405 Q CA 0.903 56.652 55.803 -0.090 0.000 0.787 405 Q CB -1.030 27.660 28.738 -0.079 0.000 1.158 405 Q HN 0.953 nan 8.270 nan 0.000 0.426 406 N N -0.736 117.947 118.700 -0.028 0.000 2.218 406 N HA 0.080 4.822 4.740 0.003 0.000 0.231 406 N C 0.069 175.565 175.510 -0.022 0.000 1.036 406 N CA 0.761 53.807 53.050 -0.006 0.000 1.139 406 N CB 0.388 38.888 38.487 0.021 0.000 1.456 406 N HN 0.064 nan 8.380 nan 0.000 0.608 407 T N 2.668 117.210 114.554 -0.020 0.000 4.098 407 T HA 0.125 4.477 4.350 0.003 0.000 0.291 407 T C 1.093 175.747 174.700 -0.077 0.000 1.440 407 T CA -0.106 61.972 62.100 -0.036 0.000 1.164 407 T CB -0.142 68.717 68.868 -0.014 0.000 1.313 407 T HN 0.199 nan 8.240 nan 0.000 0.951 408 L N 1.812 122.976 121.223 -0.099 0.000 2.056 408 L HA 0.000 4.342 4.340 0.003 0.000 0.207 408 L C 2.031 178.804 176.870 -0.162 0.000 1.078 408 L CA 1.597 56.347 54.840 -0.149 0.000 0.749 408 L CB -0.327 41.633 42.059 -0.165 0.000 0.901 408 L HN 0.341 nan 8.230 nan 0.000 0.433 409 R N -0.203 120.217 120.500 -0.133 0.000 2.425 409 R HA -0.080 4.262 4.340 0.003 0.000 0.206 409 R C 1.756 177.985 176.300 -0.119 0.000 1.117 409 R CA 0.281 56.307 56.100 -0.124 0.000 1.098 409 R CB -1.151 29.085 30.300 -0.107 0.000 0.843 409 R HN 0.306 nan 8.270 nan 0.000 0.480 410 V N 0.001 119.823 119.914 -0.154 0.000 2.719 410 V HA -0.022 4.099 4.120 0.003 0.000 0.252 410 V C 0.786 176.715 176.094 -0.275 0.000 1.065 410 V CA 0.738 62.930 62.300 -0.180 0.000 1.086 410 V CB 0.334 32.043 31.823 -0.190 0.000 0.700 410 V HN 0.010 nan 8.190 nan 0.000 0.467 411 V N 1.423 121.146 119.914 -0.318 0.000 2.406 411 V HA 0.346 4.468 4.120 0.003 0.000 0.272 411 V C 0.923 176.943 176.094 -0.124 0.000 1.043 411 V CA -0.350 61.781 62.300 -0.283 0.000 0.915 411 V CB 1.282 32.902 31.823 -0.339 0.000 0.988 411 V HN 0.327 nan 8.190 nan 0.000 0.466 412 K N 4.889 125.203 120.400 -0.144 0.000 2.361 412 K HA 0.298 4.620 4.320 0.003 0.000 0.194 412 K C -0.209 176.272 176.600 -0.197 0.000 1.032 412 K CA 0.520 56.676 56.287 -0.220 0.000 1.048 412 K CB 0.807 32.932 32.500 -0.625 0.000 0.842 412 K HN 0.508 nan 8.250 nan 0.000 0.526 413 V N 1.458 121.200 119.914 -0.287 0.000 2.638 413 V HA 0.417 4.539 4.120 0.003 0.000 0.306 413 V C -1.411 174.229 176.094 -0.756 0.000 1.052 413 V CA -1.064 60.931 62.300 -0.509 0.000 0.885 413 V CB 2.078 33.644 31.823 -0.429 0.000 0.999 413 V HN 0.032 nan 8.190 nan 0.000 0.424 414 F N 4.632 123.824 119.950 -1.263 0.000 2.536 414 F HA 0.678 5.208 4.527 0.004 0.000 0.322 414 F C -1.374 173.993 175.800 -0.722 0.000 1.144 414 F CA -1.133 56.264 58.000 -1.005 0.000 0.924 414 F CB 1.524 39.906 39.000 -1.031 0.000 1.181 414 F HN 0.462 nan 8.300 nan 0.000 0.438 415 W N 6.417 127.232 121.300 -0.810 0.000 2.288 415 W HA 0.568 5.231 4.660 0.004 0.000 0.325 415 W C -0.248 175.660 176.519 -1.018 0.000 1.019 415 W CA -1.458 55.466 57.345 -0.703 0.000 1.403 415 W CB 1.028 30.317 29.460 -0.285 0.000 1.226 415 W HN 0.773 nan 8.180 nan 0.000 0.391 416 A N 4.708 127.021 122.820 -0.845 0.000 2.915 416 A HA 0.305 4.626 4.320 0.003 0.000 0.292 416 A C -0.035 177.391 177.584 -0.262 0.000 1.632 416 A CA -0.391 51.215 52.037 -0.719 0.000 1.337 416 A CB -0.470 18.314 19.000 -0.361 0.000 1.111 416 A HN 0.441 nan 8.150 nan 0.000 0.569 417 L N 2.124 123.244 121.223 -0.171 0.000 2.559 417 L HA 0.111 4.452 4.340 0.003 0.000 0.274 417 L C 0.290 177.165 176.870 0.008 0.000 1.205 417 L CA 0.870 55.701 54.840 -0.016 0.000 0.907 417 L CB 0.133 42.215 42.059 0.039 0.000 1.153 417 L HN 0.595 nan 8.230 nan 0.000 0.490 418 D N 2.819 123.233 120.400 0.022 0.000 2.542 418 D HA 0.348 4.989 4.640 0.003 0.000 0.252 418 D C 0.544 176.860 176.300 0.027 0.000 1.222 418 D CA -0.166 53.835 54.000 0.003 0.000 0.895 418 D CB 1.933 42.692 40.800 -0.067 0.000 1.207 418 D HN 0.547 nan 8.370 nan 0.000 0.558 419 A N 3.616 126.463 122.820 0.046 0.000 1.972 419 A HA -0.193 4.129 4.320 0.003 0.000 0.219 419 A C 1.694 179.298 177.584 0.032 0.000 1.169 419 A CA 1.745 53.820 52.037 0.062 0.000 0.635 419 A CB -0.191 18.853 19.000 0.072 0.000 0.810 419 A HN 0.635 nan 8.150 nan 0.000 0.446 420 D N -1.249 119.151 120.400 0.000 0.000 2.224 420 D HA -0.079 4.562 4.640 0.003 0.000 0.205 420 D C 1.651 177.927 176.300 -0.040 0.000 0.965 420 D CA 0.567 54.556 54.000 -0.018 0.000 0.852 420 D CB -0.036 40.744 40.800 -0.034 0.000 0.947 420 D HN 0.222 nan 8.370 nan 0.000 0.494 421 L N 0.275 121.461 121.223 -0.061 0.000 2.109 421 L HA 0.135 4.477 4.340 0.003 0.000 0.207 421 L C 2.232 179.026 176.870 -0.126 0.000 1.086 421 L CA 1.404 56.194 54.840 -0.082 0.000 0.760 421 L CB -1.042 40.962 42.059 -0.093 0.000 0.910 421 L HN 0.066 nan 8.230 nan 0.000 0.437 422 A N -0.712 122.057 122.820 -0.085 0.000 1.902 422 A HA -0.220 4.102 4.320 0.003 0.000 0.217 422 A C 2.424 179.966 177.584 -0.069 0.000 1.181 422 A CA 1.627 53.600 52.037 -0.105 0.000 0.623 422 A CB -0.446 18.664 19.000 0.183 0.000 0.818 422 A HN 0.404 nan 8.150 nan 0.000 0.443 423 R N -0.867 119.631 120.500 -0.002 0.000 2.148 423 R HA 0.017 4.358 4.340 0.003 0.000 0.223 423 R C 1.820 178.120 176.300 -0.001 0.000 1.088 423 R CA 1.006 57.121 56.100 0.026 0.000 0.985 423 R CB -0.151 30.169 30.300 0.034 0.000 0.880 423 R HN 0.445 nan 8.270 nan 0.000 0.451 424 R N 0.529 121.007 120.500 -0.035 0.000 2.313 424 R HA 0.132 4.474 4.340 0.003 0.000 0.199 424 R C 0.055 176.321 176.300 -0.058 0.000 0.958 424 R CA -0.022 56.066 56.100 -0.020 0.000 1.047 424 R CB 0.174 30.477 30.300 0.004 0.000 0.955 424 R HN 0.065 nan 8.270 nan 0.000 0.481 425 R N 0.526 120.917 120.500 -0.182 0.000 3.641 425 R HA -0.193 4.149 4.340 0.003 0.000 0.286 425 R C -0.581 175.461 176.300 -0.430 0.000 1.153 425 R CA 0.640 56.549 56.100 -0.319 0.000 0.775 425 R CB -2.480 27.845 30.300 0.041 0.000 1.215 425 R HN 0.458 nan 8.270 nan 0.000 0.474 426 H N 0.336 119.083 119.070 -0.537 0.000 2.846 426 H HA 0.337 4.895 4.556 0.003 0.000 0.278 426 H C -0.462 174.604 175.328 -0.438 0.000 1.117 426 H CA 0.093 55.966 56.048 -0.291 0.000 1.406 426 H CB -0.137 29.593 29.762 -0.055 0.000 1.445 426 H HN 0.047 nan 8.280 nan 0.000 0.469 427 F N 5.252 125.200 119.950 -0.005 0.000 2.523 427 F HA 0.297 4.825 4.527 0.003 0.000 0.329 427 F C -1.587 174.216 175.800 0.005 0.000 1.061 427 F CA -2.111 55.931 58.000 0.071 0.000 0.967 427 F CB 1.373 40.437 39.000 0.107 0.000 1.218 427 F HN 0.510 nan 8.300 nan 0.000 0.480 428 P HA -0.269 nan 4.420 nan 0.000 0.241 428 P C -0.511 176.996 177.300 0.346 0.000 1.051 428 P CA 0.474 63.748 63.100 0.290 0.000 0.772 428 P CB -0.248 31.532 31.700 0.134 0.000 0.628 429 A N 4.486 127.517 122.820 0.351 0.000 2.604 429 A HA 0.160 4.482 4.320 0.003 0.000 0.248 429 A C 0.946 178.629 177.584 0.166 0.000 1.466 429 A CA -0.261 51.923 52.037 0.246 0.000 1.222 429 A CB -0.972 18.145 19.000 0.195 0.000 0.945 429 A HN 0.522 nan 8.150 nan 0.000 0.600 430 I N 1.320 122.018 120.570 0.213 0.000 2.322 430 I HA 0.036 4.207 4.170 0.003 0.000 0.292 430 I C 0.454 176.656 176.117 0.143 0.000 1.060 430 I CA -0.452 60.930 61.300 0.138 0.000 1.309 430 I CB 0.494 38.595 38.000 0.168 0.000 1.415 430 I HN 0.290 nan 8.210 nan 0.000 0.492 431 N N 6.919 125.576 118.700 -0.071 0.000 2.438 431 N HA -0.084 4.658 4.740 0.003 0.000 0.267 431 N C 0.420 175.817 175.510 -0.188 0.000 1.222 431 N CA -0.113 52.770 53.050 -0.279 0.000 0.930 431 N CB 0.595 38.895 38.487 -0.312 0.000 1.083 431 N HN 0.612 nan 8.380 nan 0.000 0.476 432 W N 4.284 125.579 121.300 -0.009 0.000 3.180 432 W HA 0.219 4.881 4.660 0.003 0.000 0.254 432 W C 0.338 176.946 176.519 0.148 0.000 1.318 432 W CA -0.434 57.017 57.345 0.177 0.000 1.608 432 W CB 0.156 29.657 29.460 0.070 0.000 1.124 432 W HN 0.294 nan 8.180 nan 0.000 0.694 433 L N 1.100 122.142 121.223 -0.301 0.000 2.470 433 L HA 0.141 4.483 4.340 0.003 0.000 0.219 433 L C 2.331 179.158 176.870 -0.071 0.000 1.071 433 L CA 1.941 56.686 54.840 -0.159 0.000 0.850 433 L CB -1.163 40.717 42.059 -0.298 0.000 1.040 433 L HN 0.281 nan 8.230 nan 0.000 0.475 434 T N -5.493 108.989 114.554 -0.120 0.000 3.001 434 T HA 0.187 4.539 4.350 0.003 0.000 0.251 434 T C 1.033 175.746 174.700 0.021 0.000 1.040 434 T CA -0.077 62.019 62.100 -0.007 0.000 0.985 434 T CB 0.052 68.931 68.868 0.018 0.000 1.011 434 T HN -0.001 nan 8.240 nan 0.000 0.509 435 S N 1.913 117.452 115.700 -0.268 0.000 2.600 435 S HA 0.567 5.038 4.470 0.003 0.000 0.265 435 S C -0.673 173.704 174.600 -0.371 0.000 1.325 435 S CA -0.653 57.184 58.200 -0.605 0.000 1.002 435 S CB 0.099 62.450 63.200 -1.415 0.000 0.921 435 S HN 0.719 nan 8.310 nan 0.000 0.554 436 Y N -1.716 118.438 120.300 -0.245 0.000 2.638 436 Y HA 0.755 5.308 4.550 0.004 0.000 0.335 436 Y C -0.741 175.287 175.900 0.214 0.000 1.155 436 Y CA -1.067 57.104 58.100 0.119 0.000 1.046 436 Y CB 1.120 39.625 38.460 0.075 0.000 1.303 436 Y HN 0.504 nan 8.280 nan 0.000 0.460 437 S N 1.509 117.520 115.700 0.518 0.000 2.547 437 S HA 0.519 4.991 4.470 0.003 0.000 0.281 437 S C -0.766 173.971 174.600 0.227 0.000 1.118 437 S CA -0.819 57.568 58.200 0.313 0.000 0.947 437 S CB 1.055 64.496 63.200 0.400 0.000 1.053 437 S HN 0.852 nan 8.310 nan 0.000 0.482 438 L N 3.987 125.200 121.223 -0.017 0.000 2.653 438 L HA 0.279 4.621 4.340 0.003 0.000 0.231 438 L C 0.021 176.827 176.870 -0.107 0.000 1.153 438 L CA 0.128 54.910 54.840 -0.096 0.000 0.933 438 L CB -0.230 41.717 42.059 -0.187 0.000 1.175 438 L HN 0.698 nan 8.230 nan 0.000 0.473 439 Y N -1.909 118.493 120.300 0.170 0.000 2.485 439 Y HA 0.111 4.663 4.550 0.003 0.000 0.260 439 Y C 1.970 177.985 175.900 0.191 0.000 1.173 439 Y CA -0.496 57.696 58.100 0.152 0.000 1.252 439 Y CB -0.439 38.103 38.460 0.136 0.000 1.123 439 Y HN -0.116 nan 8.280 nan 0.000 0.524 440 V N 0.128 120.242 119.914 0.334 0.000 2.255 440 V HA -0.298 3.824 4.120 0.003 0.000 0.247 440 V C 1.889 178.179 176.094 0.328 0.000 1.051 440 V CA 2.307 64.813 62.300 0.343 0.000 1.018 440 V CB -0.232 31.729 31.823 0.229 0.000 0.641 440 V HN 0.352 nan 8.190 nan 0.000 0.445 441 D N 0.005 120.551 120.400 0.243 0.000 2.183 441 D HA -0.056 4.585 4.640 0.003 0.000 0.203 441 D C 2.218 178.638 176.300 0.200 0.000 0.969 441 D CA 1.414 55.540 54.000 0.210 0.000 0.842 441 D CB -0.079 40.817 40.800 0.158 0.000 0.957 441 D HN 0.449 nan 8.370 nan 0.000 0.484 442 A N 0.973 123.923 122.820 0.217 0.000 1.902 442 A HA -0.140 4.181 4.320 0.003 0.000 0.217 442 A C 2.347 180.014 177.584 0.139 0.000 1.181 442 A CA 1.891 54.038 52.037 0.183 0.000 0.623 442 A CB -0.474 18.671 19.000 0.241 0.000 0.818 442 A HN 0.253 nan 8.150 nan 0.000 0.443 443 V N -1.694 118.318 119.914 0.165 0.000 3.660 443 V HA 0.038 4.160 4.120 0.003 0.000 0.276 443 V C 1.854 178.009 176.094 0.101 0.000 1.317 443 V CA 1.050 63.413 62.300 0.106 0.000 1.097 443 V CB -0.568 31.301 31.823 0.077 0.000 0.863 443 V HN 0.689 nan 8.190 nan 0.000 0.438 444 K N 1.190 121.660 120.400 0.116 0.000 2.063 444 K HA -0.285 4.036 4.320 0.003 0.000 0.208 444 K C 1.707 178.162 176.600 -0.242 0.000 1.048 444 K CA 2.393 58.654 56.287 -0.042 0.000 0.928 444 K CB -0.679 31.924 32.500 0.171 0.000 0.713 444 K HN 0.484 nan 8.250 nan 0.000 0.442 445 D N 0.195 120.608 120.400 0.021 0.000 2.144 445 D HA -0.184 4.458 4.640 0.003 0.000 0.199 445 D C 1.666 178.014 176.300 0.079 0.000 0.984 445 D CA 1.196 55.257 54.000 0.102 0.000 0.834 445 D CB -0.151 40.730 40.800 0.135 0.000 0.955 445 D HN 0.486 nan 8.370 nan 0.000 0.465 446 W N -0.154 121.069 121.300 -0.128 0.000 2.335 446 W HA -0.170 4.492 4.660 0.003 0.000 0.311 446 W C 1.675 178.016 176.519 -0.296 0.000 1.213 446 W CA 1.451 58.666 57.345 -0.217 0.000 1.274 446 W CB -0.618 28.666 29.460 -0.293 0.000 1.148 446 W HN 0.075 nan 8.180 nan 0.000 0.498 447 W N -0.524 120.718 121.300 -0.096 0.000 2.338 447 W HA -0.247 4.414 4.660 0.003 0.000 0.304 447 W C 2.729 179.119 176.519 -0.214 0.000 1.212 447 W CA 1.912 59.037 57.345 -0.366 0.000 1.264 447 W CB -1.114 27.753 29.460 -0.988 0.000 1.142 447 W HN -0.061 nan 8.180 nan 0.000 0.512 448 H N 0.190 119.339 119.070 0.130 0.000 2.353 448 H HA -0.121 4.436 4.556 0.003 0.000 0.300 448 H C 1.974 177.290 175.328 -0.020 0.000 1.090 448 H CA 1.977 58.087 56.048 0.103 0.000 1.327 448 H CB -0.728 29.110 29.762 0.126 0.000 1.383 448 H HN 0.303 nan 8.280 nan 0.000 0.508 449 K N 0.323 120.733 120.400 0.017 0.000 2.262 449 K HA 0.018 4.340 4.320 0.003 0.000 0.200 449 K C 1.197 177.658 176.600 -0.231 0.000 1.049 449 K CA 1.238 57.472 56.287 -0.089 0.000 0.979 449 K CB 0.230 32.679 32.500 -0.086 0.000 0.773 449 K HN 0.132 nan 8.250 nan 0.000 0.474 450 N N -0.106 118.323 118.700 -0.453 0.000 2.415 450 N HA 0.120 4.861 4.740 0.003 0.000 0.174 450 N C 1.005 176.248 175.510 -0.445 0.000 1.048 450 N CA 0.406 53.097 53.050 -0.599 0.000 0.895 450 N CB 0.472 38.243 38.487 -1.193 0.000 1.036 450 N HN 0.102 nan 8.380 nan 0.000 0.449 451 I N -1.233 119.140 120.570 -0.329 0.000 3.650 451 I HA 0.187 4.359 4.170 0.003 0.000 0.261 451 I C -0.316 175.832 176.117 0.052 0.000 1.154 451 I CA 0.703 61.923 61.300 -0.133 0.000 1.418 451 I CB -0.044 37.910 38.000 -0.076 0.000 1.539 451 I HN -0.068 nan 8.210 nan 0.000 0.449 452 D N 1.150 121.643 120.400 0.156 0.000 2.804 452 D HA 0.207 4.849 4.640 0.003 0.000 0.209 452 D C -2.396 174.068 176.300 0.273 0.000 1.314 452 D CA -1.162 52.958 54.000 0.199 0.000 0.894 452 D CB 2.880 43.832 40.800 0.253 0.000 1.615 452 D HN -0.199 nan 8.370 nan 0.000 0.571 453 P HA -0.038 nan 4.420 nan 0.000 0.223 453 P C 0.547 177.854 177.300 0.011 0.000 1.144 453 P CA 0.940 64.082 63.100 0.070 0.000 0.783 453 P CB 0.426 32.123 31.700 -0.006 0.000 0.771 454 E N -2.918 117.362 120.200 0.133 0.000 2.501 454 E HA -0.013 4.339 4.350 0.003 0.000 0.201 454 E C 1.256 177.975 176.600 0.199 0.000 1.016 454 E CA -0.268 56.185 56.400 0.089 0.000 0.920 454 E CB -0.438 29.282 29.700 0.033 0.000 1.023 454 E HN 0.336 nan 8.360 nan 0.000 0.474 455 W N 3.251 124.666 121.300 0.192 0.000 2.302 455 W HA -0.341 4.320 4.660 0.002 0.000 0.320 455 W C 2.236 178.739 176.519 -0.026 0.000 1.241 455 W CA 2.744 60.116 57.345 0.045 0.000 1.264 455 W CB 0.034 29.518 29.460 0.039 0.000 1.154 455 W HN -0.022 nan 8.180 nan 0.000 0.483 456 K N 0.500 121.085 120.400 0.309 0.000 2.057 456 K HA -0.065 4.256 4.320 0.003 0.000 0.206 456 K C 2.077 178.586 176.600 -0.152 0.000 1.050 456 K CA 2.077 58.317 56.287 -0.079 0.000 0.935 456 K CB -0.942 31.774 32.500 0.360 0.000 0.715 456 K HN 0.128 nan 8.250 nan 0.000 0.439 457 A N 0.650 123.452 122.820 -0.030 0.000 1.933 457 A HA -0.118 4.203 4.320 0.003 0.000 0.218 457 A C 2.213 179.708 177.584 -0.148 0.000 1.175 457 A CA 1.804 53.797 52.037 -0.073 0.000 0.628 457 A CB -0.492 18.484 19.000 -0.040 0.000 0.814 457 A HN 0.395 nan 8.150 nan 0.000 0.444 458 M N -0.585 118.897 119.600 -0.196 0.000 2.099 458 M HA -0.168 4.314 4.480 0.003 0.000 0.262 458 M C 2.360 178.435 176.300 -0.375 0.000 1.067 458 M CA 2.030 57.174 55.300 -0.259 0.000 1.124 458 M CB -0.389 32.061 32.600 -0.249 0.000 1.353 458 M HN 0.602 nan 8.290 nan 0.000 0.410 459 R N 0.433 120.577 120.500 -0.593 0.000 2.081 459 R HA -0.098 4.243 4.340 0.003 0.000 0.235 459 R C 1.347 177.497 176.300 -0.249 0.000 1.131 459 R CA 1.822 57.549 56.100 -0.623 0.000 0.960 459 R CB -1.154 28.481 30.300 -1.109 0.000 0.856 459 R HN 0.216 nan 8.270 nan 0.000 0.436 460 D N 0.839 121.093 120.400 -0.243 0.000 2.097 460 D HA -0.161 4.480 4.640 0.003 0.000 0.195 460 D C 1.630 177.868 176.300 -0.103 0.000 0.989 460 D CA 1.501 55.428 54.000 -0.123 0.000 0.827 460 D CB -0.222 40.518 40.800 -0.100 0.000 0.966 460 D HN 0.404 nan 8.370 nan 0.000 0.456 461 K N 0.503 120.820 120.400 -0.138 0.000 2.032 461 K HA -0.113 4.209 4.320 0.003 0.000 0.209 461 K C 2.001 178.490 176.600 -0.185 0.000 1.048 461 K CA 1.416 57.609 56.287 -0.157 0.000 0.927 461 K CB -0.092 32.310 32.500 -0.163 0.000 0.712 461 K HN 0.044 nan 8.250 nan 0.000 0.441 462 A N 0.741 123.466 122.820 -0.158 0.000 1.933 462 A HA -0.182 4.140 4.320 0.003 0.000 0.218 462 A C 2.056 179.565 177.584 -0.125 0.000 1.175 462 A CA 1.721 53.679 52.037 -0.132 0.000 0.628 462 A CB -0.509 18.468 19.000 -0.038 0.000 0.814 462 A HN 0.471 nan 8.150 nan 0.000 0.444 463 M N 0.296 119.870 119.600 -0.043 0.000 2.132 463 M HA 0.044 4.526 4.480 0.003 0.000 0.263 463 M C 2.110 178.358 176.300 -0.087 0.000 1.065 463 M CA 1.594 56.822 55.300 -0.120 0.000 1.122 463 M CB -0.746 31.839 32.600 -0.025 0.000 1.365 463 M HN 0.352 nan 8.290 nan 0.000 0.411 464 A N 0.043 122.815 122.820 -0.080 0.000 1.933 464 A HA -0.109 4.212 4.320 0.003 0.000 0.218 464 A C 2.019 179.551 177.584 -0.087 0.000 1.175 464 A CA 1.427 53.423 52.037 -0.069 0.000 0.628 464 A CB -0.937 18.018 19.000 -0.074 0.000 0.814 464 A HN 0.503 nan 8.150 nan 0.000 0.444 465 L N -0.397 120.737 121.223 -0.148 0.000 2.056 465 L HA -0.091 4.251 4.340 0.003 0.000 0.207 465 L C 2.505 179.322 176.870 -0.089 0.000 1.078 465 L CA 1.497 56.244 54.840 -0.155 0.000 0.749 465 L CB -1.353 40.553 42.059 -0.253 0.000 0.901 465 L HN 0.401 nan 8.230 nan 0.000 0.433 466 L N -1.028 120.130 121.223 -0.108 0.000 2.083 466 L HA -0.236 4.105 4.340 0.003 0.000 0.209 466 L C 2.655 179.579 176.870 0.089 0.000 1.083 466 L CA 1.064 55.881 54.840 -0.038 0.000 0.752 466 L CB -0.497 41.472 42.059 -0.150 0.000 0.899 466 L HN 0.377 nan 8.230 nan 0.000 0.433 467 Q N -0.040 119.790 119.800 0.049 0.000 2.119 467 Q HA -0.224 4.118 4.340 0.003 0.000 0.201 467 Q C 2.142 178.166 176.000 0.040 0.000 0.972 467 Q CA 1.144 56.981 55.803 0.056 0.000 0.847 467 Q CB -0.204 28.555 28.738 0.035 0.000 0.903 467 Q HN 0.233 nan 8.270 nan 0.000 0.433 468 K N 1.991 122.403 120.400 0.020 0.000 2.057 468 K HA -0.206 4.116 4.320 0.003 0.000 0.207 468 K C 1.798 178.419 176.600 0.036 0.000 1.049 468 K CA 1.823 58.123 56.287 0.021 0.000 0.931 468 K CB -0.294 32.212 32.500 0.010 0.000 0.714 468 K HN 0.290 nan 8.250 nan 0.000 0.440 469 E N -0.219 120.007 120.200 0.042 0.000 2.058 469 E HA -0.222 4.130 4.350 0.003 0.000 0.194 469 E C 1.909 178.551 176.600 0.071 0.000 0.997 469 E CA 1.666 58.102 56.400 0.059 0.000 0.801 469 E CB -0.409 29.329 29.700 0.064 0.000 0.746 469 E HN 0.344 nan 8.360 nan 0.000 0.450 470 S N 0.254 116.008 115.700 0.089 0.000 2.370 470 S HA -0.264 4.207 4.470 0.003 0.000 0.226 470 S C 2.035 176.657 174.600 0.036 0.000 1.033 470 S CA 1.802 60.043 58.200 0.069 0.000 1.011 470 S CB -0.410 62.827 63.200 0.061 0.000 0.852 470 S HN 0.482 nan 8.310 nan 0.000 0.457 471 E N 0.252 120.471 120.200 0.032 0.000 2.051 471 E HA -0.141 4.211 4.350 0.003 0.000 0.192 471 E C 2.202 178.816 176.600 0.023 0.000 0.991 471 E CA 1.374 57.787 56.400 0.022 0.000 0.799 471 E CB -0.289 29.424 29.700 0.021 0.000 0.748 471 E HN 0.593 nan 8.360 nan 0.000 0.449 472 L N 0.494 121.735 121.223 0.030 0.000 2.046 472 L HA -0.226 4.116 4.340 0.003 0.000 0.208 472 L C 2.796 179.683 176.870 0.029 0.000 1.077 472 L CA 1.419 56.277 54.840 0.030 0.000 0.747 472 L CB -0.357 41.724 42.059 0.036 0.000 0.896 472 L HN 0.240 nan 8.230 nan 0.000 0.432 473 Q N -0.611 119.209 119.800 0.034 0.000 2.124 473 Q HA -0.261 4.080 4.340 0.003 0.000 0.202 473 Q C 2.082 178.094 176.000 0.021 0.000 0.977 473 Q CA 1.565 57.387 55.803 0.032 0.000 0.850 473 Q CB -0.007 28.755 28.738 0.041 0.000 0.901 473 Q HN 0.318 nan 8.270 nan 0.000 0.429 474 E N 1.013 121.223 120.200 0.016 0.000 2.072 474 E HA -0.122 4.230 4.350 0.003 0.000 0.190 474 E C 1.620 178.226 176.600 0.009 0.000 0.982 474 E CA 0.998 57.403 56.400 0.008 0.000 0.803 474 E CB -0.144 29.558 29.700 0.004 0.000 0.755 474 E HN 0.332 nan 8.360 nan 0.000 0.453 475 I N -0.407 120.170 120.570 0.012 0.000 2.226 475 I HA -0.237 3.934 4.170 0.003 0.000 0.245 475 I C 2.236 178.361 176.117 0.013 0.000 1.100 475 I CA 0.742 62.049 61.300 0.012 0.000 1.374 475 I CB -0.200 37.808 38.000 0.013 0.000 1.057 475 I HN 0.026 nan 8.210 nan 0.000 0.413 476 V N 0.629 120.552 119.914 0.016 0.000 2.343 476 V HA -0.290 3.831 4.120 0.003 0.000 0.247 476 V C 2.620 178.722 176.094 0.014 0.000 1.051 476 V CA 1.782 64.091 62.300 0.016 0.000 1.036 476 V CB -0.722 31.113 31.823 0.021 0.000 0.654 476 V HN 0.382 nan 8.190 nan 0.000 0.451 477 R N -0.414 120.093 120.500 0.013 0.000 2.119 477 R HA -0.204 4.137 4.340 0.003 0.000 0.246 477 R C 2.149 178.454 176.300 0.008 0.000 1.146 477 R CA 2.023 58.129 56.100 0.010 0.000 0.962 477 R CB -0.290 30.015 30.300 0.007 0.000 0.863 477 R HN 0.493 nan 8.270 nan 0.000 0.442 478 I N -0.472 120.102 120.570 0.007 0.000 2.206 478 I HA -0.190 3.981 4.170 0.003 0.000 0.239 478 I C 2.018 178.139 176.117 0.007 0.000 1.078 478 I CA 1.090 62.393 61.300 0.006 0.000 1.367 478 I CB -0.047 37.956 38.000 0.005 0.000 1.078 478 I HN 0.110 nan 8.210 nan 0.000 0.413 479 V N -1.267 118.652 119.914 0.008 0.000 3.647 479 V HA 0.531 4.653 4.120 0.003 0.000 0.279 479 V C 0.754 176.853 176.094 0.010 0.000 1.314 479 V CA 0.070 62.376 62.300 0.009 0.000 1.125 479 V CB -0.986 30.843 31.823 0.009 0.000 0.907 479 V HN 0.549 nan 8.190 nan 0.000 0.434 480 G N 1.645 110.451 108.800 0.011 0.000 2.758 480 G HA2 -0.115 3.847 3.960 0.003 0.000 0.686 480 G HA3 -0.115 3.847 3.960 0.003 0.000 0.686 480 G C -1.561 173.348 174.900 0.014 0.000 1.389 480 G CA -0.079 45.028 45.100 0.012 0.000 0.845 480 G HN 0.387 nan 8.290 nan 0.000 0.572 481 P HA 0.211 nan 4.420 nan 0.000 0.261 481 P C 0.464 177.774 177.300 0.016 0.000 1.268 481 P CA 0.528 63.638 63.100 0.017 0.000 0.833 481 P CB 0.502 32.214 31.700 0.019 0.000 1.231 482 D N 0.766 121.174 120.400 0.014 0.000 2.234 482 D HA 0.032 4.674 4.640 0.003 0.000 0.205 482 D C 1.638 177.945 176.300 0.012 0.000 0.962 482 D CA 0.813 54.821 54.000 0.013 0.000 0.855 482 D CB -0.143 40.664 40.800 0.012 0.000 0.951 482 D HN 0.133 nan 8.370 nan 0.000 0.500 483 A N 0.211 123.038 122.820 0.012 0.000 2.415 483 A HA 0.160 4.481 4.320 0.003 0.000 0.248 483 A C 0.408 177.999 177.584 0.012 0.000 1.299 483 A CA -0.307 51.736 52.037 0.011 0.000 0.899 483 A CB -0.148 18.858 19.000 0.010 0.000 0.997 483 A HN 0.018 nan 8.150 nan 0.000 0.506 484 L N 1.666 122.898 121.223 0.015 0.000 2.477 484 L HA 0.283 4.624 4.340 0.003 0.000 0.272 484 L C -2.114 174.766 176.870 0.015 0.000 1.157 484 L CA -1.572 53.279 54.840 0.017 0.000 0.889 484 L CB 0.197 42.268 42.059 0.021 0.000 1.158 484 L HN 0.111 nan 8.230 nan 0.000 0.473 485 P HA 0.104 nan 4.420 nan 0.000 0.272 485 P C 0.630 177.938 177.300 0.013 0.000 1.230 485 P CA -0.442 62.664 63.100 0.011 0.000 0.788 485 P CB 0.631 32.337 31.700 0.010 0.000 0.949 486 E N 1.285 121.490 120.200 0.007 0.000 2.070 486 E HA -0.265 4.086 4.350 0.003 0.000 0.197 486 E C 1.875 178.482 176.600 0.011 0.000 1.004 486 E CA 1.462 57.865 56.400 0.005 0.000 0.805 486 E CB -0.300 29.395 29.700 -0.007 0.000 0.744 486 E HN 0.460 nan 8.360 nan 0.000 0.451 487 R N 1.064 121.568 120.500 0.007 0.000 2.096 487 R HA -0.217 4.125 4.340 0.003 0.000 0.240 487 R C 1.991 178.312 176.300 0.036 0.000 1.139 487 R CA 1.955 58.062 56.100 0.012 0.000 0.952 487 R CB -0.083 30.221 30.300 0.007 0.000 0.854 487 R HN 0.009 nan 8.270 nan 0.000 0.436 488 E N -0.034 120.187 120.200 0.035 0.000 2.106 488 E HA -0.098 4.254 4.350 0.003 0.000 0.192 488 E C 2.143 178.773 176.600 0.050 0.000 0.984 488 E CA 1.260 57.687 56.400 0.045 0.000 0.806 488 E CB 0.055 29.776 29.700 0.035 0.000 0.750 488 E HN 0.353 nan 8.360 nan 0.000 0.458 489 R N -0.057 120.468 120.500 0.042 0.000 2.120 489 R HA -0.039 4.302 4.340 0.003 0.000 0.234 489 R C 2.220 178.557 176.300 0.062 0.000 1.123 489 R CA 1.137 57.264 56.100 0.045 0.000 0.975 489 R CB -0.275 30.046 30.300 0.035 0.000 0.866 489 R HN 0.124 nan 8.270 nan 0.000 0.446 490 A N 1.125 123.983 122.820 0.063 0.000 1.930 490 A HA -0.095 4.227 4.320 0.003 0.000 0.217 490 A C 2.121 179.786 177.584 0.136 0.000 1.175 490 A CA 1.019 53.107 52.037 0.085 0.000 0.627 490 A CB -0.344 18.681 19.000 0.041 0.000 0.815 490 A HN 0.156 nan 8.150 nan 0.000 0.443 491 I N -0.272 120.381 120.570 0.138 0.000 2.226 491 I HA -0.261 3.911 4.170 0.003 0.000 0.245 491 I C 2.343 178.531 176.117 0.118 0.000 1.100 491 I CA 1.057 62.461 61.300 0.173 0.000 1.374 491 I CB -0.236 37.846 38.000 0.138 0.000 1.057 491 I HN 0.291 nan 8.210 nan 0.000 0.413 492 L N -0.189 121.088 121.223 0.089 0.000 2.056 492 L HA -0.220 4.122 4.340 0.003 0.000 0.207 492 L C 2.509 179.422 176.870 0.071 0.000 1.078 492 L CA 0.941 55.822 54.840 0.069 0.000 0.749 492 L CB -0.497 41.596 42.059 0.058 0.000 0.901 492 L HN 0.343 nan 8.230 nan 0.000 0.433 493 L N -0.262 121.015 121.223 0.090 0.000 2.012 493 L HA -0.198 4.144 4.340 0.003 0.000 0.210 493 L C 2.450 179.385 176.870 0.107 0.000 1.073 493 L CA 1.777 56.676 54.840 0.098 0.000 0.748 493 L CB -0.182 41.954 42.059 0.127 0.000 0.891 493 L HN 0.094 nan 8.230 nan 0.000 0.431 494 V N 0.138 120.148 119.914 0.161 0.000 2.379 494 V HA -0.151 3.970 4.120 0.003 0.000 0.245 494 V C 2.913 179.044 176.094 0.062 0.000 1.044 494 V CA 1.271 63.678 62.300 0.179 0.000 1.036 494 V CB -0.951 31.087 31.823 0.359 0.000 0.664 494 V HN 0.538 nan 8.190 nan 0.000 0.453 495 A N 0.523 123.363 122.820 0.034 0.000 1.917 495 A HA -0.308 4.014 4.320 0.003 0.000 0.219 495 A C 2.400 179.951 177.584 -0.056 0.000 1.182 495 A CA 2.370 54.384 52.037 -0.038 0.000 0.633 495 A CB -0.620 18.368 19.000 -0.019 0.000 0.819 495 A HN 0.509 nan 8.150 nan 0.000 0.448 496 R N -0.838 119.655 120.500 -0.012 0.000 2.091 496 R HA -0.134 4.208 4.340 0.003 0.000 0.238 496 R C 2.161 178.439 176.300 -0.037 0.000 1.136 496 R CA 2.018 58.109 56.100 -0.015 0.000 0.959 496 R CB -0.347 29.960 30.300 0.012 0.000 0.856 496 R HN 0.567 nan 8.270 nan 0.000 0.437 497 M N 0.330 119.907 119.600 -0.038 0.000 2.117 497 M HA -0.178 4.304 4.480 0.003 0.000 0.262 497 M C 2.263 178.525 176.300 -0.063 0.000 1.065 497 M CA 1.529 56.788 55.300 -0.067 0.000 1.114 497 M CB -0.231 32.304 32.600 -0.107 0.000 1.361 497 M HN 0.210 nan 8.290 nan 0.000 0.408 498 L N -0.273 120.907 121.223 -0.072 0.000 2.012 498 L HA -0.240 4.102 4.340 0.003 0.000 0.210 498 L C 2.687 179.505 176.870 -0.088 0.000 1.073 498 L CA 1.569 56.358 54.840 -0.085 0.000 0.748 498 L CB -0.460 41.506 42.059 -0.155 0.000 0.891 498 L HN 0.270 nan 8.230 nan 0.000 0.431 499 R N -0.375 120.029 120.500 -0.160 0.000 2.081 499 R HA -0.153 4.189 4.340 0.003 0.000 0.235 499 R C 2.126 178.363 176.300 -0.105 0.000 1.131 499 R CA 1.444 57.438 56.100 -0.177 0.000 0.960 499 R CB -0.236 29.946 30.300 -0.196 0.000 0.856 499 R HN 0.463 nan 8.270 nan 0.000 0.436 500 E N 0.045 120.198 120.200 -0.077 0.000 2.122 500 E HA -0.093 4.258 4.350 0.003 0.000 0.190 500 E C 0.915 177.465 176.600 -0.084 0.000 0.977 500 E CA 0.816 57.171 56.400 -0.075 0.000 0.820 500 E CB 0.201 29.877 29.700 -0.040 0.000 0.770 500 E HN 0.315 nan 8.360 nan 0.000 0.462 501 D N -1.281 119.082 120.400 -0.061 0.000 2.367 501 D HA -0.000 4.641 4.640 0.003 0.000 0.207 501 D C 0.770 177.049 176.300 -0.035 0.000 1.034 501 D CA 0.537 54.499 54.000 -0.063 0.000 0.861 501 D CB 0.365 41.133 40.800 -0.053 0.000 0.943 501 D HN 0.166 nan 8.370 nan 0.000 0.515 502 Y N -0.350 119.867 120.300 -0.140 0.000 3.012 502 Y HA 0.099 4.651 4.550 0.003 0.000 0.236 502 Y C 1.583 177.425 175.900 -0.096 0.000 1.017 502 Y CA -0.022 58.009 58.100 -0.115 0.000 1.364 502 Y CB -0.128 38.285 38.460 -0.079 0.000 1.491 502 Y HN -0.274 nan 8.280 nan 0.000 0.435 503 L N 1.400 122.676 121.223 0.089 0.000 2.017 503 L HA -0.123 4.219 4.340 0.003 0.000 0.208 503 L C 0.652 177.451 176.870 -0.117 0.000 1.073 503 L CA 1.523 56.383 54.840 0.033 0.000 0.745 503 L CB -0.944 41.135 42.059 0.032 0.000 0.894 503 L HN 0.233 nan 8.230 nan 0.000 0.432 504 Q N 0.381 120.024 119.800 -0.261 0.000 2.313 504 Q HA 0.235 4.577 4.340 0.003 0.000 0.266 504 Q C -0.161 175.726 176.000 -0.188 0.000 0.989 504 Q CA 0.389 56.008 55.803 -0.307 0.000 0.890 504 Q CB 0.635 29.170 28.738 -0.338 0.000 1.200 504 Q HN 0.230 nan 8.270 nan 0.000 0.396 505 Q N 1.692 121.426 119.800 -0.109 0.000 2.315 505 Q HA 0.173 4.514 4.340 0.003 0.000 0.273 505 Q C -1.808 174.195 176.000 0.005 0.000 1.053 505 Q CA -0.638 55.096 55.803 -0.116 0.000 0.817 505 Q CB 1.729 30.371 28.738 -0.161 0.000 1.326 505 Q HN 0.468 nan 8.270 nan 0.000 0.423 506 D N 2.618 123.037 120.400 0.031 0.000 2.467 506 D HA 0.330 4.971 4.640 0.003 0.000 0.220 506 D C 0.406 176.779 176.300 0.122 0.000 1.103 506 D CA 0.069 54.174 54.000 0.174 0.000 0.886 506 D CB 1.335 42.324 40.800 0.315 0.000 1.025 506 D HN 0.685 nan 8.370 nan 0.000 0.514 507 A N 3.374 126.228 122.820 0.057 0.000 2.070 507 A HA -0.136 4.185 4.320 0.003 0.000 0.220 507 A C 1.418 178.878 177.584 -0.207 0.000 1.159 507 A CA 0.859 52.812 52.037 -0.141 0.000 0.656 507 A CB -0.532 18.271 19.000 -0.328 0.000 0.800 507 A HN 0.587 nan 8.150 nan 0.000 0.453 508 F N -0.393 119.586 119.950 0.048 0.000 2.765 508 F HA 0.183 4.712 4.527 0.003 0.000 0.302 508 F C 0.582 176.417 175.800 0.060 0.000 1.111 508 F CA -0.202 57.825 58.000 0.045 0.000 1.359 508 F CB 0.002 39.010 39.000 0.013 0.000 1.097 508 F HN 0.149 nan 8.300 nan 0.000 0.577 509 D N 0.416 120.950 120.400 0.224 0.000 2.177 509 D HA 0.083 4.725 4.640 0.003 0.000 0.247 509 D C 1.193 177.579 176.300 0.143 0.000 1.063 509 D CA -0.262 53.853 54.000 0.192 0.000 0.867 509 D CB 1.035 42.016 40.800 0.301 0.000 1.168 509 D HN 0.349 nan 8.370 nan 0.000 0.445 510 E N 1.804 122.076 120.200 0.120 0.000 2.204 510 E HA -0.144 4.207 4.350 0.003 0.000 0.194 510 E C 1.096 177.753 176.600 0.094 0.000 0.989 510 E CA 0.753 57.217 56.400 0.106 0.000 0.824 510 E CB 0.038 29.788 29.700 0.084 0.000 0.756 510 E HN 0.287 nan 8.360 nan 0.000 0.477 511 V N 1.335 121.311 119.914 0.104 0.000 2.374 511 V HA -0.128 3.993 4.120 0.003 0.000 0.241 511 V C 1.745 177.843 176.094 0.006 0.000 1.034 511 V CA 1.724 64.066 62.300 0.070 0.000 1.037 511 V CB -0.280 31.605 31.823 0.104 0.000 0.682 511 V HN 0.199 nan 8.190 nan 0.000 0.463 512 D N -0.495 119.931 120.400 0.044 0.000 2.363 512 D HA -0.086 4.555 4.640 0.003 0.000 0.226 512 D C 2.015 178.241 176.300 -0.125 0.000 1.020 512 D CA 0.785 54.735 54.000 -0.083 0.000 0.892 512 D CB 0.099 40.827 40.800 -0.119 0.000 0.900 512 D HN 0.287 nan 8.370 nan 0.000 0.531 513 T N -1.157 113.344 114.554 -0.088 0.000 2.881 513 T HA -0.143 4.209 4.350 0.003 0.000 0.270 513 T C -0.140 174.287 174.700 -0.455 0.000 1.068 513 T CA 0.731 62.750 62.100 -0.136 0.000 1.131 513 T CB -0.105 68.798 68.868 0.058 0.000 0.871 513 T HN 0.189 nan 8.240 nan 0.000 0.479 514 Y N -0.194 119.671 120.300 -0.725 0.000 2.457 514 Y HA 0.505 5.056 4.550 0.003 0.000 0.343 514 Y C -1.287 174.314 175.900 -0.498 0.000 0.994 514 Y CA -1.901 55.643 58.100 -0.926 0.000 1.031 514 Y CB 1.491 38.942 38.460 -1.681 0.000 1.246 514 Y HN -0.057 nan 8.280 nan 0.000 0.449 515 C N 9.668 128.408 119.300 -0.934 0.000 2.291 515 C HA 0.597 5.059 4.460 0.003 0.000 0.322 515 C C -2.593 171.971 174.990 -0.710 0.000 1.205 515 C CA -2.426 56.217 59.018 -0.624 0.000 1.495 515 C CB -0.128 27.345 27.740 -0.447 0.000 2.127 515 C HN 0.669 nan 8.230 nan 0.000 0.452 516 P HA 0.172 nan 4.420 nan 0.000 0.269 516 P C -1.972 175.291 177.300 -0.060 0.000 1.209 516 P CA -0.727 62.265 63.100 -0.181 0.000 0.776 516 P CB 0.407 32.127 31.700 0.033 0.000 0.876 517 P HA -0.261 nan 4.420 nan 0.000 0.218 517 P C 1.408 178.859 177.300 0.252 0.000 1.154 517 P CA 1.604 64.844 63.100 0.233 0.000 0.872 517 P CB -0.101 31.607 31.700 0.013 0.000 0.790 518 E N -0.167 120.104 120.200 0.119 0.000 2.110 518 E HA -0.244 4.108 4.350 0.003 0.000 0.193 518 E C 2.046 178.699 176.600 0.088 0.000 0.988 518 E CA 1.158 57.617 56.400 0.098 0.000 0.804 518 E CB -0.178 29.550 29.700 0.046 0.000 0.745 518 E HN 0.131 nan 8.360 nan 0.000 0.458 519 K N 0.161 120.591 120.400 0.050 0.000 2.103 519 K HA -0.156 4.165 4.320 0.003 0.000 0.204 519 K C 2.238 178.863 176.600 0.042 0.000 1.052 519 K CA 1.282 57.580 56.287 0.018 0.000 0.945 519 K CB 0.091 32.565 32.500 -0.044 0.000 0.722 519 K HN 0.142 nan 8.250 nan 0.000 0.443 520 Q N 0.251 120.092 119.800 0.068 0.000 2.061 520 Q HA -0.157 4.185 4.340 0.003 0.000 0.204 520 Q C 2.184 178.314 176.000 0.217 0.000 0.984 520 Q CA 2.041 57.914 55.803 0.117 0.000 0.846 520 Q CB -0.264 28.556 28.738 0.136 0.000 0.902 520 Q HN 0.368 nan 8.270 nan 0.000 0.421 521 V N -2.035 118.010 119.914 0.219 0.000 2.515 521 V HA -0.154 3.967 4.120 0.003 0.000 0.250 521 V C 1.915 178.077 176.094 0.112 0.000 1.058 521 V CA 1.971 64.378 62.300 0.178 0.000 1.064 521 V CB -0.995 30.979 31.823 0.252 0.000 0.675 521 V HN 0.212 nan 8.190 nan 0.000 0.461 522 T N 0.567 115.184 114.554 0.106 0.000 2.812 522 T HA -0.003 4.349 4.350 0.003 0.000 0.264 522 T C 1.927 176.669 174.700 0.070 0.000 1.042 522 T CA 2.158 64.302 62.100 0.073 0.000 1.140 522 T CB -0.325 68.578 68.868 0.057 0.000 0.870 522 T HN 0.412 nan 8.240 nan 0.000 0.445 523 M N 0.295 119.953 119.600 0.097 0.000 2.108 523 M HA -0.090 4.392 4.480 0.003 0.000 0.261 523 M C 2.420 178.786 176.300 0.109 0.000 1.066 523 M CA 1.502 56.875 55.300 0.122 0.000 1.107 523 M CB -0.413 32.283 32.600 0.161 0.000 1.356 523 M HN 0.195 nan 8.290 nan 0.000 0.406 524 M N 0.516 120.159 119.600 0.070 0.000 2.080 524 M HA -0.166 4.316 4.480 0.003 0.000 0.260 524 M C 2.019 178.261 176.300 -0.098 0.000 1.068 524 M CA 1.966 57.155 55.300 -0.185 0.000 1.109 524 M CB -0.345 32.069 32.600 -0.310 0.000 1.342 524 M HN 0.033 nan 8.290 nan 0.000 0.405 525 R N -1.083 119.400 120.500 -0.028 0.000 2.105 525 R HA -0.124 4.217 4.340 0.003 0.000 0.239 525 R C 2.076 178.392 176.300 0.026 0.000 1.135 525 R CA 1.670 57.769 56.100 -0.001 0.000 0.967 525 R CB -0.877 29.435 30.300 0.020 0.000 0.861 525 R HN 0.321 nan 8.270 nan 0.000 0.442 526 V N 1.345 121.283 119.914 0.040 0.000 2.343 526 V HA -0.237 3.884 4.120 0.003 0.000 0.247 526 V C 2.245 178.397 176.094 0.097 0.000 1.051 526 V CA 1.683 64.024 62.300 0.069 0.000 1.036 526 V CB -0.360 31.499 31.823 0.059 0.000 0.654 526 V HN 0.269 nan 8.190 nan 0.000 0.451 527 L N -1.021 120.232 121.223 0.049 0.000 2.072 527 L HA -0.115 4.227 4.340 0.003 0.000 0.205 527 L C 2.317 179.261 176.870 0.123 0.000 1.079 527 L CA 1.380 56.256 54.840 0.059 0.000 0.752 527 L CB -0.377 41.661 42.059 -0.035 0.000 0.906 527 L HN 0.268 nan 8.230 nan 0.000 0.436 528 L N -0.480 120.771 121.223 0.047 0.000 2.156 528 L HA -0.169 4.173 4.340 0.003 0.000 0.208 528 L C 2.198 179.143 176.870 0.125 0.000 1.095 528 L CA 0.995 55.876 54.840 0.068 0.000 0.770 528 L CB -0.524 41.517 42.059 -0.031 0.000 0.914 528 L HN 0.356 nan 8.230 nan 0.000 0.439 529 N N 0.322 119.074 118.700 0.087 0.000 2.244 529 N HA -0.239 4.503 4.740 0.003 0.000 0.183 529 N C 1.729 177.254 175.510 0.025 0.000 1.016 529 N CA 1.112 54.189 53.050 0.044 0.000 0.866 529 N CB -0.133 38.376 38.487 0.037 0.000 0.980 529 N HN 0.225 nan 8.380 nan 0.000 0.430 530 F N -0.309 119.644 119.950 0.004 0.000 2.163 530 F HA -0.071 4.457 4.527 0.003 0.000 0.297 530 F C 2.078 177.882 175.800 0.007 0.000 1.094 530 F CA 0.999 59.013 58.000 0.024 0.000 1.290 530 F CB -0.554 38.510 39.000 0.107 0.000 1.017 530 F HN 0.107 nan 8.300 nan 0.000 0.483 531 Y N 1.473 121.860 120.300 0.145 0.000 2.070 531 Y HA -0.310 4.242 4.550 0.003 0.000 0.280 531 Y C 2.294 178.135 175.900 -0.098 0.000 1.148 531 Y CA 2.262 60.388 58.100 0.043 0.000 1.125 531 Y CB -0.914 37.567 38.460 0.036 0.000 0.975 531 Y HN 0.046 nan 8.280 nan 0.000 0.492 532 D N 0.243 120.556 120.400 -0.145 0.000 2.133 532 D HA -0.202 4.440 4.640 0.003 0.000 0.192 532 D C 2.030 178.085 176.300 -0.408 0.000 1.001 532 D CA 1.701 55.549 54.000 -0.255 0.000 0.844 532 D CB -0.197 40.542 40.800 -0.102 0.000 0.944 532 D HN 0.376 nan 8.370 nan 0.000 0.447 533 K N 0.130 120.192 120.400 -0.562 0.000 2.155 533 K HA -0.016 4.306 4.320 0.003 0.000 0.203 533 K C 2.181 178.234 176.600 -0.912 0.000 1.052 533 K CA 0.675 56.396 56.287 -0.944 0.000 0.948 533 K CB -0.514 30.972 32.500 -1.689 0.000 0.728 533 K HN 0.154 nan 8.250 nan 0.000 0.448 534 T N 1.863 116.002 114.554 -0.692 0.000 2.708 534 T HA -0.109 4.243 4.350 0.003 0.000 0.266 534 T C 1.909 176.472 174.700 -0.229 0.000 1.037 534 T CA 1.236 63.173 62.100 -0.271 0.000 1.146 534 T CB -0.030 68.727 68.868 -0.185 0.000 0.865 534 T HN 0.049 nan 8.240 nan 0.000 0.435 535 M N 1.118 120.483 119.600 -0.392 0.000 2.175 535 M HA 0.021 4.502 4.480 0.003 0.000 0.264 535 M C 2.260 178.446 176.300 -0.190 0.000 1.063 535 M CA 1.164 56.275 55.300 -0.315 0.000 1.119 535 M CB -1.202 31.119 32.600 -0.466 0.000 1.377 535 M HN 0.389 nan 8.290 nan 0.000 0.415 536 E N 0.358 120.440 120.200 -0.198 0.000 2.051 536 E HA -0.164 4.188 4.350 0.003 0.000 0.192 536 E C 1.994 178.586 176.600 -0.014 0.000 0.991 536 E CA 1.480 57.809 56.400 -0.118 0.000 0.799 536 E CB 0.095 29.719 29.700 -0.127 0.000 0.748 536 E HN 0.412 nan 8.360 nan 0.000 0.449 537 A N 1.311 124.195 122.820 0.107 0.000 1.877 537 A HA -0.162 4.160 4.320 0.003 0.000 0.216 537 A C 2.224 179.871 177.584 0.105 0.000 1.186 537 A CA 1.310 53.534 52.037 0.311 0.000 0.620 537 A CB -0.668 18.571 19.000 0.398 0.000 0.822 537 A HN 0.365 nan 8.150 nan 0.000 0.443 538 I N -0.314 120.269 120.570 0.021 0.000 2.208 538 I HA -0.305 3.866 4.170 0.003 0.000 0.245 538 I C 2.281 178.378 176.117 -0.034 0.000 1.097 538 I CA 1.749 63.036 61.300 -0.022 0.000 1.363 538 I CB -0.498 37.480 38.000 -0.037 0.000 1.051 538 I HN 0.389 nan 8.210 nan 0.000 0.413 539 N N 0.851 119.525 118.700 -0.044 0.000 2.104 539 N HA -0.165 4.577 4.740 0.003 0.000 0.190 539 N C 1.385 176.862 175.510 -0.056 0.000 1.024 539 N CA 1.160 54.177 53.050 -0.055 0.000 0.853 539 N CB -0.039 38.404 38.487 -0.074 0.000 1.008 539 N HN 0.250 nan 8.380 nan 0.000 0.424 540 R N -0.556 119.909 120.500 -0.059 0.000 2.335 540 R HA 0.229 4.570 4.340 0.003 0.000 0.223 540 R C 0.673 176.952 176.300 -0.034 0.000 0.940 540 R CA 0.571 56.629 56.100 -0.070 0.000 1.086 540 R CB 0.178 30.384 30.300 -0.156 0.000 1.073 540 R HN 0.232 nan 8.270 nan 0.000 0.504 541 G N 1.009 109.784 108.800 -0.041 0.000 2.143 541 G HA2 -0.260 3.701 3.960 0.003 0.000 0.249 541 G HA3 -0.260 3.701 3.960 0.003 0.000 0.249 541 G C 0.239 175.041 174.900 -0.164 0.000 0.981 541 G CA -0.027 45.034 45.100 -0.065 0.000 0.665 541 G HN 0.170 nan 8.290 nan 0.000 0.528 542 V N 2.267 122.078 119.914 -0.172 0.000 2.529 542 V HA 0.303 4.425 4.120 0.003 0.000 0.292 542 V C -1.099 174.829 176.094 -0.276 0.000 1.028 542 V CA -0.764 61.317 62.300 -0.364 0.000 1.074 542 V CB 0.867 32.599 31.823 -0.151 0.000 0.958 542 V HN 0.225 nan 8.190 nan 0.000 0.481 543 P HA 0.088 nan 4.420 nan 0.000 0.271 543 P C 0.595 177.833 177.300 -0.104 0.000 1.216 543 P CA -0.364 62.639 63.100 -0.162 0.000 0.776 543 P CB 0.748 32.379 31.700 -0.115 0.000 0.881 544 L N 3.105 124.298 121.223 -0.049 0.000 2.141 544 L HA -0.177 4.165 4.340 0.003 0.000 0.209 544 L C 1.989 178.855 176.870 -0.006 0.000 1.094 544 L CA 1.753 56.583 54.840 -0.017 0.000 0.763 544 L CB -0.905 41.158 42.059 0.007 0.000 0.908 544 L HN 0.334 nan 8.230 nan 0.000 0.437 545 E N -0.582 119.615 120.200 -0.007 0.000 2.153 545 E HA -0.299 4.052 4.350 0.003 0.000 0.194 545 E C 1.887 178.485 176.600 -0.003 0.000 0.988 545 E CA 1.335 57.738 56.400 0.005 0.000 0.811 545 E CB -0.433 29.274 29.700 0.012 0.000 0.746 545 E HN 0.587 nan 8.360 nan 0.000 0.466 546 E N 0.901 121.089 120.200 -0.021 0.000 2.106 546 E HA -0.040 4.312 4.350 0.003 0.000 0.192 546 E C 2.034 178.582 176.600 -0.088 0.000 0.984 546 E CA 0.717 57.096 56.400 -0.036 0.000 0.806 546 E CB -0.136 29.544 29.700 -0.034 0.000 0.750 546 E HN 0.328 nan 8.360 nan 0.000 0.458 547 I N -0.146 120.371 120.570 -0.089 0.000 2.406 547 I HA -0.115 4.056 4.170 0.003 0.000 0.249 547 I C 2.209 178.355 176.117 0.048 0.000 1.122 547 I CA 0.801 62.037 61.300 -0.106 0.000 1.431 547 I CB -0.198 37.770 38.000 -0.054 0.000 1.087 547 I HN 0.114 nan 8.210 nan 0.000 0.424 548 A N 1.588 124.442 122.820 0.057 0.000 2.024 548 A HA -0.224 4.098 4.320 0.003 0.000 0.220 548 A C 2.005 179.613 177.584 0.039 0.000 1.164 548 A CA 2.064 54.144 52.037 0.071 0.000 0.643 548 A CB -0.411 18.618 19.000 0.048 0.000 0.806 548 A HN 0.493 nan 8.150 nan 0.000 0.451 549 K N -1.222 119.186 120.400 0.012 0.000 2.373 549 K HA 0.370 4.692 4.320 0.003 0.000 0.202 549 K C -0.098 176.492 176.600 -0.018 0.000 1.025 549 K CA -0.431 55.855 56.287 -0.002 0.000 1.115 549 K CB -0.433 32.065 32.500 -0.005 0.000 0.858 549 K HN 0.117 nan 8.250 nan 0.000 0.525 550 L N 2.890 124.098 121.223 -0.026 0.000 2.559 550 L HA 0.120 4.461 4.340 0.003 0.000 0.274 550 L C -1.557 175.307 176.870 -0.009 0.000 1.205 550 L CA -1.558 53.246 54.840 -0.059 0.000 0.907 550 L CB 0.655 42.648 42.059 -0.111 0.000 1.153 550 L HN 0.078 nan 8.230 nan 0.000 0.490 551 P HA -0.163 nan 4.420 nan 0.000 0.215 551 P C 1.792 179.097 177.300 0.009 0.000 1.153 551 P CA 0.821 63.918 63.100 -0.005 0.000 0.853 551 P CB 0.195 31.890 31.700 -0.008 0.000 0.788 552 V N 0.048 119.981 119.914 0.033 0.000 2.546 552 V HA -0.302 3.820 4.120 0.003 0.000 0.254 552 V C 2.345 178.443 176.094 0.007 0.000 1.076 552 V CA 1.798 64.130 62.300 0.054 0.000 1.087 552 V CB -0.758 31.141 31.823 0.127 0.000 0.674 552 V HN 0.061 nan 8.190 nan 0.000 0.470 553 R N 0.019 120.503 120.500 -0.027 0.000 2.105 553 R HA -0.232 4.110 4.340 0.003 0.000 0.239 553 R C 2.169 178.402 176.300 -0.110 0.000 1.135 553 R CA 1.950 57.950 56.100 -0.167 0.000 0.967 553 R CB -0.209 30.005 30.300 -0.143 0.000 0.861 553 R HN 0.857 nan 8.270 nan 0.000 0.442 554 E N 0.435 120.607 120.200 -0.048 0.000 2.285 554 E HA -0.120 4.232 4.350 0.003 0.000 0.194 554 E C 1.244 177.838 176.600 -0.009 0.000 0.997 554 E CA 1.152 57.537 56.400 -0.025 0.000 0.845 554 E CB -0.016 29.679 29.700 -0.008 0.000 0.782 554 E HN 0.356 nan 8.360 nan 0.000 0.491 555 E N 0.598 120.793 120.200 -0.008 0.000 2.112 555 E HA -0.025 4.327 4.350 0.003 0.000 0.190 555 E C 2.077 178.674 176.600 -0.005 0.000 0.979 555 E CA 1.029 57.433 56.400 0.008 0.000 0.814 555 E CB -0.148 29.563 29.700 0.018 0.000 0.762 555 E HN 0.372 nan 8.360 nan 0.000 0.460 556 I N 1.217 121.763 120.570 -0.039 0.000 2.286 556 I HA -0.179 3.993 4.170 0.003 0.000 0.248 556 I C 2.530 178.606 176.117 -0.067 0.000 1.115 556 I CA 1.192 62.451 61.300 -0.068 0.000 1.392 556 I CB -0.533 37.377 38.000 -0.149 0.000 1.065 556 I HN 0.147 nan 8.210 nan 0.000 0.418 557 G N 0.581 109.346 108.800 -0.059 0.000 2.470 557 G HA2 -0.189 3.772 3.960 0.003 0.000 0.220 557 G HA3 -0.189 3.772 3.960 0.003 0.000 0.220 557 G C 1.771 176.680 174.900 0.015 0.000 1.121 557 G CA 0.358 45.440 45.100 -0.030 0.000 0.766 557 G HN 0.363 nan 8.290 nan 0.000 0.553 558 R N -0.315 120.212 120.500 0.045 0.000 2.397 558 R HA 0.237 4.578 4.340 0.003 0.000 0.241 558 R C 2.452 178.779 176.300 0.045 0.000 0.914 558 R CA 0.206 56.395 56.100 0.149 0.000 1.071 558 R CB -0.066 30.351 30.300 0.196 0.000 1.116 558 R HN 0.548 nan 8.270 nan 0.000 0.524 559 M N 0.875 120.454 119.600 -0.035 0.000 2.279 559 M HA -0.141 4.340 4.480 0.003 0.000 0.264 559 M C 1.744 177.962 176.300 -0.138 0.000 1.062 559 M CA 1.770 57.040 55.300 -0.049 0.000 1.099 559 M CB -0.594 31.987 32.600 -0.032 0.000 1.394 559 M HN -0.100 nan 8.290 nan 0.000 0.426 560 K N 0.465 120.681 120.400 -0.306 0.000 2.281 560 K HA -0.110 4.212 4.320 0.003 0.000 0.203 560 K C 0.857 177.169 176.600 -0.479 0.000 1.046 560 K CA 1.480 57.487 56.287 -0.467 0.000 0.938 560 K CB -0.631 31.462 32.500 -0.678 0.000 0.737 560 K HN 0.384 nan 8.250 nan 0.000 0.458 561 F N 1.334 121.263 119.950 -0.036 0.000 2.776 561 F HA 0.219 4.747 4.527 0.003 0.000 0.300 561 F C 0.486 176.275 175.800 -0.018 0.000 1.116 561 F CA -0.430 57.555 58.000 -0.025 0.000 1.375 561 F CB -0.024 38.967 39.000 -0.015 0.000 1.109 561 F HN 0.060 nan 8.300 nan 0.000 0.585 562 E N 1.477 121.724 120.200 0.079 0.000 2.167 562 E HA 0.157 4.508 4.350 0.003 0.000 0.284 562 E C 1.311 177.927 176.600 0.026 0.000 1.016 562 E CA -0.304 56.130 56.400 0.056 0.000 0.817 562 E CB 0.650 30.372 29.700 0.037 0.000 1.080 562 E HN 0.375 nan 8.360 nan 0.000 0.397 563 R N 2.941 123.462 120.500 0.034 0.000 2.161 563 R HA 0.078 4.420 4.340 0.003 0.000 0.213 563 R C 0.010 176.321 176.300 0.019 0.000 1.055 563 R CA 0.204 56.318 56.100 0.023 0.000 0.996 563 R CB 0.084 30.403 30.300 0.032 0.000 0.901 563 R HN 0.335 nan 8.270 nan 0.000 0.456 564 D N 1.671 122.084 120.400 0.022 0.000 2.352 564 D HA 0.048 4.690 4.640 0.003 0.000 0.245 564 D C 1.087 177.397 176.300 0.017 0.000 1.224 564 D CA -0.175 53.837 54.000 0.020 0.000 0.879 564 D CB 1.733 42.546 40.800 0.021 0.000 1.057 564 D HN -0.075 nan 8.370 nan 0.000 0.491 565 V N 3.476 123.400 119.914 0.016 0.000 2.626 565 V HA -0.228 3.893 4.120 0.003 0.000 0.252 565 V C 2.493 178.599 176.094 0.021 0.000 1.067 565 V CA 1.902 64.212 62.300 0.017 0.000 1.081 565 V CB -0.662 31.173 31.823 0.019 0.000 0.686 565 V HN 0.660 nan 8.190 nan 0.000 0.468 566 S N 0.163 115.875 115.700 0.020 0.000 2.402 566 S HA -0.219 4.253 4.470 0.003 0.000 0.229 566 S C 1.938 176.551 174.600 0.022 0.000 1.021 566 S CA 1.268 59.481 58.200 0.021 0.000 0.974 566 S CB -0.380 62.831 63.200 0.018 0.000 0.800 566 S HN 0.616 nan 8.310 nan 0.000 0.484 567 K N 0.906 121.319 120.400 0.022 0.000 2.097 567 K HA 0.101 4.422 4.320 0.003 0.000 0.205 567 K C 2.069 178.684 176.600 0.026 0.000 1.050 567 K CA 1.527 57.829 56.287 0.024 0.000 0.938 567 K CB -0.426 32.089 32.500 0.024 0.000 0.718 567 K HN 0.453 nan 8.250 nan 0.000 0.442 568 I N 0.528 121.112 120.570 0.023 0.000 2.179 568 I HA -0.267 3.904 4.170 0.003 0.000 0.242 568 I C 2.623 178.758 176.117 0.031 0.000 1.088 568 I CA 1.081 62.395 61.300 0.024 0.000 1.357 568 I CB -0.253 37.756 38.000 0.016 0.000 1.051 568 I HN 0.131 nan 8.210 nan 0.000 0.409 569 R N 1.085 121.603 120.500 0.031 0.000 2.127 569 R HA -0.180 4.162 4.340 0.003 0.000 0.238 569 R C 2.453 178.775 176.300 0.037 0.000 1.134 569 R CA 1.780 57.901 56.100 0.034 0.000 0.975 569 R CB -0.157 30.162 30.300 0.031 0.000 0.865 569 R HN 0.473 nan 8.270 nan 0.000 0.447 570 S N -0.012 115.708 115.700 0.034 0.000 2.507 570 S HA -0.044 4.428 4.470 0.003 0.000 0.235 570 S C 1.892 176.519 174.600 0.045 0.000 0.988 570 S CA 0.527 58.749 58.200 0.036 0.000 0.944 570 S CB -0.246 62.972 63.200 0.031 0.000 0.762 570 S HN 0.347 nan 8.310 nan 0.000 0.526 571 L N 0.422 121.675 121.223 0.050 0.000 2.191 571 L HA -0.010 4.332 4.340 0.003 0.000 0.212 571 L C 2.358 179.280 176.870 0.086 0.000 1.103 571 L CA 0.956 55.836 54.840 0.066 0.000 0.769 571 L CB -0.681 41.415 42.059 0.061 0.000 0.908 571 L HN 0.350 nan 8.230 nan 0.000 0.438 572 I N 0.001 120.615 120.570 0.072 0.000 2.179 572 I HA -0.304 3.867 4.170 0.003 0.000 0.242 572 I C 2.121 178.281 176.117 0.070 0.000 1.088 572 I CA 1.390 62.734 61.300 0.073 0.000 1.357 572 I CB -0.316 37.715 38.000 0.051 0.000 1.051 572 I HN 0.242 nan 8.210 nan 0.000 0.409 573 D N 0.562 120.996 120.400 0.058 0.000 2.144 573 D HA -0.172 4.469 4.640 0.003 0.000 0.200 573 D C 2.080 178.419 176.300 0.065 0.000 0.978 573 D CA 1.045 55.077 54.000 0.053 0.000 0.833 573 D CB -0.161 40.664 40.800 0.041 0.000 0.961 573 D HN 0.243 nan 8.370 nan 0.000 0.470 574 K N 0.237 120.679 120.400 0.070 0.000 2.097 574 K HA -0.096 4.226 4.320 0.003 0.000 0.206 574 K C 1.907 178.574 176.600 0.111 0.000 1.049 574 K CA 1.238 57.570 56.287 0.074 0.000 0.933 574 K CB 0.069 32.609 32.500 0.066 0.000 0.717 574 K HN -0.035 nan 8.250 nan 0.000 0.442 575 T N 1.265 115.914 114.554 0.158 0.000 2.674 575 T HA -0.110 4.241 4.350 0.003 0.000 0.265 575 T C 1.489 176.343 174.700 0.257 0.000 1.039 575 T CA 1.502 63.761 62.100 0.266 0.000 1.150 575 T CB -0.388 68.668 68.868 0.314 0.000 0.864 575 T HN 0.284 nan 8.240 nan 0.000 0.427 576 N N 1.111 119.892 118.700 0.135 0.000 2.036 576 N HA -0.145 4.596 4.740 0.003 0.000 0.195 576 N C 1.870 177.442 175.510 0.102 0.000 1.037 576 N CA 1.409 54.513 53.050 0.090 0.000 0.855 576 N CB -0.502 38.016 38.487 0.052 0.000 1.033 576 N HN 0.632 nan 8.380 nan 0.000 0.423 577 E N 0.958 121.206 120.200 0.080 0.000 2.051 577 E HA -0.207 4.144 4.350 0.003 0.000 0.192 577 E C 1.627 178.242 176.600 0.024 0.000 0.991 577 E CA 1.074 57.505 56.400 0.052 0.000 0.799 577 E CB -0.023 29.702 29.700 0.042 0.000 0.748 577 E HN 0.454 nan 8.360 nan 0.000 0.449 578 Q N -0.650 119.163 119.800 0.023 0.000 2.119 578 Q HA -0.134 4.208 4.340 0.003 0.000 0.201 578 Q C 2.083 177.974 176.000 -0.182 0.000 0.972 578 Q CA 1.371 57.136 55.803 -0.062 0.000 0.847 578 Q CB -0.171 28.529 28.738 -0.062 0.000 0.903 578 Q HN 0.333 nan 8.270 nan 0.000 0.433 579 F N 1.336 121.130 119.950 -0.260 0.000 2.269 579 F HA -0.173 4.356 4.527 0.003 0.000 0.301 579 F C 2.335 177.651 175.800 -0.806 0.000 1.082 579 F CA 0.877 58.540 58.000 -0.562 0.000 1.360 579 F CB 0.128 38.786 39.000 -0.569 0.000 1.041 579 F HN 0.043 nan 8.300 nan 0.000 0.512 580 E N 0.438 120.525 120.200 -0.189 0.000 2.028 580 E HA -0.194 4.158 4.350 0.003 0.000 0.191 580 E C 2.005 178.592 176.600 -0.022 0.000 0.988 580 E CA 1.191 57.577 56.400 -0.024 0.000 0.799 580 E CB -0.497 29.255 29.700 0.087 0.000 0.755 580 E HN 0.488 nan 8.360 nan 0.000 0.447 581 E N 0.212 120.382 120.200 -0.049 0.000 2.396 581 E HA -0.168 4.184 4.350 0.003 0.000 0.200 581 E C 1.741 178.320 176.600 -0.034 0.000 1.023 581 E CA 0.273 56.655 56.400 -0.029 0.000 0.857 581 E CB 0.050 29.726 29.700 -0.040 0.000 0.775 581 E HN 0.013 nan 8.360 nan 0.000 0.525 582 L N -1.009 120.143 121.223 -0.119 0.000 2.221 582 L HA 0.055 4.397 4.340 0.003 0.000 0.202 582 L C 1.559 178.527 176.870 0.163 0.000 1.074 582 L CA 1.184 55.994 54.840 -0.051 0.000 0.795 582 L CB -0.181 41.707 42.059 -0.285 0.000 0.960 582 L HN 0.140 nan 8.230 nan 0.000 0.458 583 F N -0.406 119.621 119.950 0.129 0.000 2.333 583 F HA -0.218 4.311 4.527 0.003 0.000 0.300 583 F C 2.150 178.014 175.800 0.106 0.000 1.083 583 F CA 0.561 58.633 58.000 0.119 0.000 1.395 583 F CB -0.160 38.889 39.000 0.082 0.000 1.056 583 F HN 0.080 nan 8.300 nan 0.000 0.529 584 K N 0.604 121.142 120.400 0.231 0.000 2.044 584 K HA -0.099 4.223 4.320 0.003 0.000 0.204 584 K C 1.851 178.488 176.600 0.063 0.000 1.045 584 K CA 0.595 56.957 56.287 0.124 0.000 0.951 584 K CB -0.186 32.359 32.500 0.074 0.000 0.738 584 K HN -0.022 nan 8.250 nan 0.000 0.443 585 K N 0.113 120.529 120.400 0.026 0.000 2.520 585 K HA -0.108 4.214 4.320 0.003 0.000 0.197 585 K C -0.384 175.975 176.600 -0.402 0.000 1.043 585 K CA 1.060 57.254 56.287 -0.155 0.000 0.944 585 K CB 0.148 32.553 32.500 -0.158 0.000 0.770 585 K HN 0.044 nan 8.250 nan 0.000 0.480 586 Y N -2.872 117.463 120.300 0.058 0.000 2.790 586 Y HA 0.330 4.882 4.550 0.003 0.000 0.323 586 Y C 1.480 177.418 175.900 0.063 0.000 1.230 586 Y CA -0.624 57.513 58.100 0.061 0.000 1.121 586 Y CB 0.743 39.251 38.460 0.081 0.000 1.328 586 Y HN -0.197 nan 8.280 nan 0.000 0.514 587 G N 0.274 109.212 108.800 0.231 0.000 2.498 587 G HA2 0.228 4.190 3.960 0.003 0.000 0.219 587 G HA3 0.228 4.190 3.960 0.003 0.000 0.219 587 G C 0.420 175.380 174.900 0.099 0.000 1.119 587 G CA 0.746 45.919 45.100 0.121 0.000 0.766 587 G HN 1.207 nan 8.290 nan 0.000 0.552 588 A N 0.000 122.908 122.820 0.147 0.000 2.254 588 A HA 0.000 4.322 4.320 0.003 0.000 0.244 588 A CA 0.000 52.060 52.037 0.039 0.000 0.836 588 A CB 0.000 19.005 19.000 0.008 0.000 0.831 588 A HN 0.000 nan 8.150 nan 0.000 0.486