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 1l0q_1_B DATA FIRST_RESID 1 DATA SEQUENCE STFAYIANSE SDNISVIDVT SNKVTATIPV GSNPXGAVIS PDGTKVYVAN DATA SEQUENCE AHSNDVSIID TATNNVIATV PAGSSPQGVA VSPDGKQVYV TNXASSTLSV DATA SEQUENCE IDTTSNTVAG TVKTGKSPLG LALSPDGKKL YVTNNGDKTV SVINTVTKAV DATA SEQUENCE INTVSVGRSP KGIAVTPDGT KVYVANFDSX SISVIDTVTN SVIDTVKVEA DATA SEQUENCE APSGIAVNPE GTKAYVTNVD KYFNTVSXID TGTNKITARI PVGPDPAGIA DATA SEQUENCE VTPDGKKVYV ALSFXNTVSV IDTATNTITA TXAVGKNPYA SGQFIGSIPV DATA SEQUENCE QPVYPSADFK SNITSGYIFL SEPVQFTDLS KDATEWKWDF GDGSSSKKQN DATA SEQUENCE PTHTYSETGI YTVRLTVSNS NGTDSQISTV NVVLKGSPTP S VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.725 174.600 0.208 0.000 1.055 1 S CA 0.000 58.322 58.200 0.203 0.000 1.107 1 S CB 0.000 63.387 63.200 0.311 0.000 0.593 2 T N 2.691 117.193 114.554 -0.085 0.000 2.794 2 T HA 0.769 5.119 4.350 -0.000 0.000 0.280 2 T C -0.750 173.714 174.700 -0.393 0.000 0.987 2 T CA -0.105 61.944 62.100 -0.085 0.000 0.993 2 T CB 0.416 69.210 68.868 -0.122 0.000 0.939 2 T HN 0.308 nan 8.240 nan 0.000 0.449 3 F N 0.949 120.909 119.950 0.016 0.000 2.599 3 F HA 0.703 5.230 4.527 -0.000 0.000 0.311 3 F C 0.061 175.853 175.800 -0.013 0.000 1.076 3 F CA -1.195 56.777 58.000 -0.048 0.000 0.937 3 F CB 1.672 40.612 39.000 -0.100 0.000 1.282 3 F HN 0.607 nan 8.300 nan 0.000 0.460 4 A N 1.257 124.105 122.820 0.047 0.000 2.330 4 A HA 0.782 5.102 4.320 -0.000 0.000 0.327 4 A C -2.097 175.554 177.584 0.111 0.000 1.155 4 A CA -0.480 51.656 52.037 0.164 0.000 0.803 4 A CB 0.414 19.401 19.000 -0.022 0.000 1.208 4 A HN 0.612 nan 8.150 nan 0.000 0.477 5 Y N 2.985 123.450 120.300 0.275 0.000 2.388 5 Y HA 0.413 4.963 4.550 -0.000 0.000 0.328 5 Y C -0.139 175.773 175.900 0.019 0.000 0.963 5 Y CA -1.167 57.017 58.100 0.141 0.000 1.240 5 Y CB 1.076 39.612 38.460 0.126 0.000 1.118 5 Y HN 0.396 nan 8.280 nan 0.000 0.484 6 I N 3.179 123.776 120.570 0.046 0.000 2.321 6 I HA 0.408 4.578 4.170 -0.000 0.000 0.291 6 I C 0.430 176.530 176.117 -0.028 0.000 0.998 6 I CA -1.140 60.106 61.300 -0.090 0.000 1.227 6 I CB 0.924 38.869 38.000 -0.092 0.000 1.368 6 I HN 0.642 nan 8.210 nan 0.000 0.466 7 A N 7.165 129.966 122.820 -0.031 0.000 2.350 7 A HA 0.332 4.651 4.320 -0.000 0.000 0.293 7 A C 0.181 177.780 177.584 0.024 0.000 1.231 7 A CA -0.510 51.537 52.037 0.016 0.000 0.883 7 A CB -0.358 18.663 19.000 0.034 0.000 1.133 7 A HN 0.680 nan 8.150 nan 0.000 0.533 8 N N 2.810 121.517 118.700 0.012 0.000 2.719 8 N HA 0.046 4.786 4.740 -0.000 0.000 0.243 8 N C 1.399 176.923 175.510 0.022 0.000 1.104 8 N CA 0.579 53.634 53.050 0.009 0.000 0.981 8 N CB 1.236 39.714 38.487 -0.015 0.000 1.290 8 N HN 0.782 nan 8.380 nan 0.000 0.513 9 S N 1.145 116.888 115.700 0.071 0.000 2.392 9 S HA -0.178 4.292 4.470 -0.000 0.000 0.232 9 S C 1.142 175.730 174.600 -0.021 0.000 1.041 9 S CA 1.045 59.261 58.200 0.027 0.000 1.026 9 S CB 0.058 63.304 63.200 0.076 0.000 0.845 9 S HN 0.356 nan 8.310 nan 0.000 0.465 10 E N 1.120 121.320 120.200 0.001 0.000 2.479 10 E HA 0.158 4.508 4.350 -0.000 0.000 0.193 10 E C 1.098 177.685 176.600 -0.021 0.000 1.049 10 E CA 0.634 57.023 56.400 -0.018 0.000 0.870 10 E CB 0.346 30.040 29.700 -0.011 0.000 0.944 10 E HN 0.821 nan 8.360 nan 0.000 0.492 11 S N -0.289 115.399 115.700 -0.019 0.000 2.701 11 S HA 0.090 4.560 4.470 -0.000 0.000 0.242 11 S C 0.040 174.630 174.600 -0.016 0.000 1.025 11 S CA -0.456 57.733 58.200 -0.019 0.000 1.016 11 S CB 0.397 63.583 63.200 -0.023 0.000 0.977 11 S HN -0.128 nan 8.310 nan 0.000 0.546 12 D N 2.760 123.150 120.400 -0.017 0.000 2.701 12 D HA -0.141 4.499 4.640 -0.000 0.000 0.235 12 D C -0.190 176.105 176.300 -0.008 0.000 1.155 12 D CA 1.561 55.552 54.000 -0.014 0.000 0.649 12 D CB -1.755 39.038 40.800 -0.011 0.000 1.050 12 D HN 0.817 nan 8.370 nan 0.000 0.425 13 N N -1.319 117.378 118.700 -0.006 0.000 2.853 13 N HA 0.590 5.330 4.740 -0.000 0.000 0.258 13 N C -1.167 174.347 175.510 0.006 0.000 1.444 13 N CA -0.882 52.168 53.050 -0.001 0.000 0.837 13 N CB 0.923 39.405 38.487 -0.008 0.000 1.489 13 N HN -0.111 nan 8.380 nan 0.000 0.529 14 I N 0.473 121.053 120.570 0.016 0.000 2.433 14 I HA 0.373 4.543 4.170 -0.000 0.000 0.292 14 I C -0.312 175.812 176.117 0.011 0.000 1.001 14 I CA -0.570 60.750 61.300 0.033 0.000 1.119 14 I CB 1.371 39.421 38.000 0.083 0.000 1.289 14 I HN 0.513 nan 8.210 nan 0.000 0.438 15 S N 4.980 120.677 115.700 -0.003 0.000 2.438 15 S HA 0.497 4.967 4.470 -0.000 0.000 0.293 15 S C -0.006 174.556 174.600 -0.062 0.000 1.141 15 S CA -0.511 57.671 58.200 -0.030 0.000 1.080 15 S CB 1.478 64.660 63.200 -0.029 0.000 0.978 15 S HN 0.314 nan 8.310 nan 0.000 0.479 16 V N 5.503 125.352 119.914 -0.109 0.000 2.439 16 V HA 0.516 4.636 4.120 -0.000 0.000 0.282 16 V C -0.156 175.886 176.094 -0.087 0.000 1.039 16 V CA -0.449 61.718 62.300 -0.222 0.000 0.913 16 V CB 1.001 32.667 31.823 -0.261 0.000 0.983 16 V HN 0.750 nan 8.190 nan 0.000 0.460 17 I N 3.106 123.663 120.570 -0.022 0.000 2.533 17 I HA 0.340 4.510 4.170 -0.000 0.000 0.290 17 I C -0.641 175.472 176.117 -0.007 0.000 1.056 17 I CA -0.599 60.716 61.300 0.026 0.000 1.057 17 I CB 2.222 40.260 38.000 0.063 0.000 1.240 17 I HN 0.490 nan 8.210 nan 0.000 0.423 18 D N 5.570 125.899 120.400 -0.119 0.000 2.344 18 D HA 0.057 4.697 4.640 -0.000 0.000 0.253 18 D C 1.156 177.279 176.300 -0.295 0.000 1.255 18 D CA -0.087 53.617 54.000 -0.494 0.000 0.894 18 D CB 1.558 42.176 40.800 -0.304 0.000 1.067 18 D HN 0.449 nan 8.370 nan 0.000 0.492 19 V N 2.142 121.843 119.914 -0.356 0.000 3.078 19 V HA -0.111 4.009 4.120 -0.000 0.000 0.265 19 V C 1.622 177.667 176.094 -0.082 0.000 1.122 19 V CA 1.369 63.583 62.300 -0.145 0.000 1.141 19 V CB -0.700 30.971 31.823 -0.253 0.000 0.735 19 V HN 0.414 nan 8.190 nan 0.000 0.498 20 T N 1.459 115.914 114.554 -0.165 0.000 2.937 20 T HA -0.019 4.331 4.350 -0.000 0.000 0.260 20 T C 1.768 176.428 174.700 -0.067 0.000 1.051 20 T CA 1.717 63.754 62.100 -0.105 0.000 1.141 20 T CB -0.155 68.638 68.868 -0.124 0.000 0.879 20 T HN 0.834 nan 8.240 nan 0.000 0.459 21 S N 0.424 116.078 115.700 -0.077 0.000 2.559 21 S HA 0.204 4.674 4.470 -0.000 0.000 0.226 21 S C 0.488 175.067 174.600 -0.034 0.000 1.000 21 S CA -0.378 57.791 58.200 -0.052 0.000 0.948 21 S CB -0.527 62.638 63.200 -0.058 0.000 0.870 21 S HN 0.564 nan 8.310 nan 0.000 0.497 22 N N 1.164 119.859 118.700 -0.008 0.000 2.708 22 N HA -0.157 4.583 4.740 -0.000 0.000 0.249 22 N C -0.947 174.561 175.510 -0.003 0.000 1.097 22 N CA 0.591 53.659 53.050 0.030 0.000 0.710 22 N CB -0.846 37.636 38.487 -0.008 0.000 1.032 22 N HN 0.562 nan 8.380 nan 0.000 0.551 23 K N 0.757 121.138 120.400 -0.031 0.000 2.164 23 K HA 0.473 4.793 4.320 -0.000 0.000 0.258 23 K C -0.084 176.479 176.600 -0.062 0.000 0.951 23 K CA -0.670 55.585 56.287 -0.052 0.000 0.844 23 K CB 2.301 34.757 32.500 -0.075 0.000 1.099 23 K HN -0.157 nan 8.250 nan 0.000 0.435 24 V N 2.927 122.801 119.914 -0.066 0.000 2.470 24 V HA -0.010 4.110 4.120 -0.000 0.000 0.276 24 V C 1.328 177.333 176.094 -0.148 0.000 1.040 24 V CA 0.319 62.571 62.300 -0.080 0.000 1.008 24 V CB 0.821 32.605 31.823 -0.066 0.000 0.990 24 V HN 1.026 nan 8.190 nan 0.000 0.477 25 T N 1.137 115.561 114.554 -0.216 0.000 3.023 25 T HA 0.632 4.982 4.350 -0.000 0.000 0.253 25 T C 0.303 174.795 174.700 -0.346 0.000 1.038 25 T CA 0.440 62.267 62.100 -0.456 0.000 0.962 25 T CB 0.451 68.738 68.868 -0.969 0.000 1.018 25 T HN 1.091 nan 8.240 nan 0.000 0.521 26 A N 0.176 122.901 122.820 -0.159 0.000 2.590 26 A HA 0.613 4.932 4.320 -0.000 0.000 0.294 26 A C -0.960 176.597 177.584 -0.045 0.000 1.046 26 A CA -0.792 51.212 52.037 -0.054 0.000 0.684 26 A CB 0.955 19.988 19.000 0.056 0.000 1.279 26 A HN 0.098 nan 8.150 nan 0.000 0.415 27 T N 1.750 116.287 114.554 -0.028 0.000 2.847 27 T HA 0.584 4.934 4.350 -0.000 0.000 0.291 27 T C -0.701 173.993 174.700 -0.011 0.000 0.998 27 T CA 0.029 62.115 62.100 -0.024 0.000 0.967 27 T CB 0.331 69.180 68.868 -0.031 0.000 0.954 27 T HN 0.447 nan 8.240 nan 0.000 0.441 28 I N 5.868 126.438 120.570 0.000 0.000 2.354 28 I HA 0.313 4.483 4.170 -0.000 0.000 0.286 28 I C -2.237 173.881 176.117 0.003 0.000 1.007 28 I CA -2.705 58.598 61.300 0.005 0.000 1.167 28 I CB 1.786 39.799 38.000 0.023 0.000 1.320 28 I HN 0.282 nan 8.210 nan 0.000 0.458 29 P HA 0.041 nan 4.420 nan 0.000 0.264 29 P C -0.055 177.243 177.300 -0.003 0.000 1.193 29 P CA 0.113 63.210 63.100 -0.005 0.000 0.763 29 P CB 0.893 32.587 31.700 -0.009 0.000 0.810 30 V N 1.644 121.558 119.914 -0.001 0.000 5.502 30 V HA 0.852 4.972 4.120 -0.000 0.000 0.283 30 V C 0.750 176.845 176.094 0.001 0.000 1.523 30 V CA -0.105 62.196 62.300 0.001 0.000 0.749 30 V CB -0.004 31.822 31.823 0.006 0.000 1.393 30 V HN 0.542 nan 8.190 nan 0.000 0.425 31 G N -0.254 108.548 108.800 0.004 0.000 2.509 31 G HA2 0.485 4.445 3.960 -0.000 0.000 0.269 31 G HA3 0.485 4.445 3.960 -0.000 0.000 0.269 31 G C -0.358 174.543 174.900 0.003 0.000 1.416 31 G CA -0.246 44.859 45.100 0.007 0.000 1.052 31 G HN 0.725 nan 8.290 nan 0.000 0.542 32 S N 0.092 115.799 115.700 0.012 0.000 2.438 32 S HA 0.341 4.811 4.470 -0.000 0.000 0.293 32 S C -0.123 174.446 174.600 -0.051 0.000 1.141 32 S CA -0.232 57.973 58.200 0.008 0.000 1.080 32 S CB 0.580 63.822 63.200 0.070 0.000 0.978 32 S HN 0.559 nan 8.310 nan 0.000 0.479 33 N N 1.921 120.544 118.700 -0.128 0.000 2.681 33 N HA -0.111 4.628 4.740 -0.000 0.000 0.259 33 N C -2.688 172.741 175.510 -0.136 0.000 1.066 33 N CA 0.381 53.290 53.050 -0.235 0.000 0.717 33 N CB -0.844 37.276 38.487 -0.612 0.000 0.885 33 N HN 0.367 nan 8.380 nan 0.000 0.547 37 A N 0.265 123.148 122.820 0.106 0.000 2.414 37 A HA 0.945 5.265 4.320 -0.000 0.000 0.306 37 A C -0.997 176.691 177.584 0.173 0.000 1.054 37 A CA -0.776 51.335 52.037 0.124 0.000 0.724 37 A CB 2.219 21.302 19.000 0.139 0.000 1.267 37 A HN 1.683 nan 8.150 nan 0.000 0.418 38 V N 2.807 122.800 119.914 0.132 0.000 2.808 38 V HA 0.436 4.556 4.120 -0.000 0.000 0.308 38 V C -0.592 175.541 176.094 0.064 0.000 1.099 38 V CA -0.376 62.006 62.300 0.136 0.000 0.920 38 V CB 1.923 33.838 31.823 0.153 0.000 1.014 38 V HN 0.914 nan 8.190 nan 0.000 0.425 39 I N 3.518 124.090 120.570 0.005 0.000 2.428 39 I HA 0.526 4.696 4.170 -0.000 0.000 0.296 39 I C 0.884 177.030 176.117 0.049 0.000 0.985 39 I CA 0.042 61.303 61.300 -0.066 0.000 1.260 39 I CB 1.806 39.727 38.000 -0.132 0.000 1.389 39 I HN 0.903 nan 8.210 nan 0.000 0.484 40 S N 6.320 122.071 115.700 0.085 0.000 2.584 40 S HA 0.271 4.740 4.470 -0.000 0.000 0.270 40 S C -1.849 172.785 174.600 0.057 0.000 1.346 40 S CA -0.801 57.466 58.200 0.113 0.000 1.018 40 S CB 0.801 64.096 63.200 0.158 0.000 0.899 40 S HN 0.538 nan 8.310 nan 0.000 0.542 41 P HA -0.154 nan 4.420 nan 0.000 0.216 41 P C 0.792 178.112 177.300 0.034 0.000 1.150 41 P CA 1.685 64.808 63.100 0.038 0.000 0.843 41 P CB -0.175 31.547 31.700 0.037 0.000 0.787 42 D N -2.168 118.253 120.400 0.035 0.000 2.355 42 D HA 0.060 4.700 4.640 -0.000 0.000 0.218 42 D C 1.370 177.687 176.300 0.029 0.000 1.004 42 D CA 0.837 54.854 54.000 0.029 0.000 0.880 42 D CB -1.136 39.679 40.800 0.025 0.000 0.911 42 D HN 0.210 nan 8.370 nan 0.000 0.528 43 G N -0.127 108.689 108.800 0.027 0.000 2.143 43 G HA2 -0.340 3.619 3.960 -0.000 0.000 0.248 43 G HA3 -0.340 3.619 3.960 -0.000 0.000 0.248 43 G C 1.071 175.971 174.900 0.000 0.000 0.991 43 G CA 1.063 46.177 45.100 0.023 0.000 0.689 43 G HN 0.609 nan 8.290 nan 0.000 0.522 44 T N -3.340 111.208 114.554 -0.009 0.000 3.035 44 T HA 0.400 4.750 4.350 -0.000 0.000 0.259 44 T C 0.896 175.548 174.700 -0.081 0.000 1.078 44 T CA 1.096 63.178 62.100 -0.031 0.000 1.132 44 T CB 0.587 69.446 68.868 -0.016 0.000 0.900 44 T HN 0.286 nan 8.240 nan 0.000 0.480 45 K N 0.946 121.285 120.400 -0.102 0.000 2.426 45 K HA 0.731 5.050 4.320 -0.000 0.000 0.251 45 K C -1.519 174.873 176.600 -0.347 0.000 0.941 45 K CA -0.766 55.370 56.287 -0.252 0.000 0.808 45 K CB 2.921 35.250 32.500 -0.285 0.000 1.265 45 K HN 0.009 nan 8.250 nan 0.000 0.432 46 V N 2.719 122.322 119.914 -0.518 0.000 2.540 46 V HA 0.417 4.537 4.120 -0.000 0.000 0.302 46 V C -1.334 174.445 176.094 -0.526 0.000 1.035 46 V CA -0.863 61.158 62.300 -0.464 0.000 0.873 46 V CB 1.249 32.715 31.823 -0.595 0.000 0.992 46 V HN 0.557 nan 8.190 nan 0.000 0.428 47 Y N 3.004 123.251 120.300 -0.088 0.000 2.352 47 Y HA 0.686 5.236 4.550 -0.000 0.000 0.339 47 Y C -0.024 175.866 175.900 -0.016 0.000 0.992 47 Y CA -0.912 57.163 58.100 -0.042 0.000 1.100 47 Y CB 2.052 40.493 38.460 -0.031 0.000 1.192 47 Y HN 0.338 nan 8.280 nan 0.000 0.458 48 V N 2.901 122.876 119.914 0.102 0.000 2.444 48 V HA 0.659 4.779 4.120 -0.000 0.000 0.294 48 V C -0.179 175.955 176.094 0.066 0.000 1.022 48 V CA -1.205 61.138 62.300 0.072 0.000 0.850 48 V CB 1.410 33.256 31.823 0.038 0.000 0.992 48 V HN 0.896 nan 8.190 nan 0.000 0.426 49 A N 4.519 127.374 122.820 0.058 0.000 2.347 49 A HA 0.483 4.803 4.320 -0.000 0.000 0.287 49 A C 0.206 177.800 177.584 0.016 0.000 1.199 49 A CA -0.367 51.693 52.037 0.038 0.000 0.851 49 A CB -0.192 18.827 19.000 0.032 0.000 1.118 49 A HN 0.785 nan 8.150 nan 0.000 0.525 50 N N 2.901 121.611 118.700 0.016 0.000 2.589 50 N HA 0.304 5.044 4.740 -0.000 0.000 0.232 50 N C 1.158 176.676 175.510 0.014 0.000 1.015 50 N CA 0.453 53.506 53.050 0.005 0.000 0.931 50 N CB 1.658 40.153 38.487 0.014 0.000 1.150 50 N HN 0.689 nan 8.380 nan 0.000 0.512 51 A N 2.061 124.875 122.820 -0.010 0.000 1.873 51 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 51 A C 1.532 179.210 177.584 0.158 0.000 1.193 51 A CA 1.470 53.527 52.037 0.033 0.000 0.629 51 A CB -0.748 18.237 19.000 -0.026 0.000 0.826 51 A HN 0.738 nan 8.150 nan 0.000 0.447 52 H N -0.668 118.390 119.070 -0.021 0.000 2.529 52 H HA 0.033 4.589 4.556 -0.000 0.000 0.277 52 H C 1.547 176.869 175.328 -0.010 0.000 0.999 52 H CA 0.588 56.627 56.048 -0.015 0.000 1.256 52 H CB 0.165 29.919 29.762 -0.014 0.000 1.402 52 H HN 0.663 nan 8.280 nan 0.000 0.566 53 S N 0.106 115.871 115.700 0.109 0.000 2.575 53 S HA 0.013 4.483 4.470 -0.000 0.000 0.237 53 S C 0.286 174.908 174.600 0.037 0.000 0.975 53 S CA -0.564 57.671 58.200 0.058 0.000 0.960 53 S CB 0.002 63.227 63.200 0.043 0.000 0.822 53 S HN 0.284 nan 8.310 nan 0.000 0.472 54 N N 3.179 121.903 118.700 0.040 0.000 2.702 54 N HA -0.152 4.588 4.740 -0.000 0.000 0.255 54 N C -0.791 174.731 175.510 0.021 0.000 0.983 54 N CA 1.890 54.956 53.050 0.026 0.000 0.768 54 N CB -1.390 37.107 38.487 0.016 0.000 0.918 54 N HN 0.938 nan 8.380 nan 0.000 0.540 55 D N -3.463 116.951 120.400 0.024 0.000 2.759 55 D HA 0.636 5.276 4.640 -0.000 0.000 0.321 55 D C -0.729 175.589 176.300 0.030 0.000 1.267 55 D CA -0.711 53.303 54.000 0.023 0.000 0.933 55 D CB 0.925 41.737 40.800 0.019 0.000 1.431 55 D HN -0.154 nan 8.370 nan 0.000 0.504 56 V N 0.153 120.090 119.914 0.037 0.000 2.588 56 V HA 0.627 4.747 4.120 -0.000 0.000 0.304 56 V C -0.334 175.792 176.094 0.053 0.000 1.042 56 V CA -0.731 61.605 62.300 0.058 0.000 0.877 56 V CB 1.604 33.479 31.823 0.087 0.000 0.996 56 V HN 0.636 nan 8.190 nan 0.000 0.425 57 S N 5.005 120.729 115.700 0.040 0.000 2.554 57 S HA 0.679 5.149 4.470 -0.000 0.000 0.278 57 S C -0.319 174.262 174.600 -0.032 0.000 1.242 57 S CA -0.374 57.829 58.200 0.005 0.000 1.051 57 S CB 0.934 64.132 63.200 -0.004 0.000 0.986 57 S HN 0.529 nan 8.310 nan 0.000 0.502 58 I N 3.476 123.997 120.570 -0.082 0.000 2.362 58 I HA 0.441 4.611 4.170 -0.000 0.000 0.289 58 I C -0.689 175.294 176.117 -0.222 0.000 0.994 58 I CA -0.387 60.771 61.300 -0.237 0.000 1.158 58 I CB 1.146 39.039 38.000 -0.179 0.000 1.315 58 I HN 0.414 nan 8.210 nan 0.000 0.451 59 I N 4.947 125.339 120.570 -0.296 0.000 2.493 59 I HA 0.253 4.423 4.170 -0.000 0.000 0.298 59 I C -0.298 175.696 176.117 -0.205 0.000 0.998 59 I CA -0.586 60.601 61.300 -0.189 0.000 1.137 59 I CB 1.912 39.842 38.000 -0.117 0.000 1.310 59 I HN 0.494 nan 8.210 nan 0.000 0.445 60 D N 4.129 124.451 120.400 -0.130 0.000 2.359 60 D HA 0.067 4.707 4.640 -0.000 0.000 0.230 60 D C 1.237 177.487 176.300 -0.084 0.000 1.118 60 D CA -0.226 53.707 54.000 -0.111 0.000 0.844 60 D CB 1.437 42.185 40.800 -0.088 0.000 1.059 60 D HN 0.707 nan 8.370 nan 0.000 0.493 61 T N 1.150 115.656 114.554 -0.080 0.000 2.977 61 T HA -0.099 4.251 4.350 -0.000 0.000 0.271 61 T C 1.608 176.254 174.700 -0.089 0.000 1.105 61 T CA 0.956 63.035 62.100 -0.036 0.000 1.116 61 T CB 0.044 68.908 68.868 -0.007 0.000 0.878 61 T HN 0.307 nan 8.240 nan 0.000 0.509 62 A N 1.655 124.417 122.820 -0.096 0.000 2.021 62 A HA 0.174 4.494 4.320 -0.000 0.000 0.216 62 A C 2.456 179.948 177.584 -0.153 0.000 1.163 62 A CA 1.301 53.265 52.037 -0.122 0.000 0.676 62 A CB -0.463 18.485 19.000 -0.088 0.000 0.818 62 A HN 0.693 nan 8.150 nan 0.000 0.453 63 T N -5.624 108.855 114.554 -0.125 0.000 3.043 63 T HA 0.144 4.494 4.350 -0.000 0.000 0.272 63 T C 0.433 175.071 174.700 -0.104 0.000 0.990 63 T CA 0.404 62.430 62.100 -0.123 0.000 0.897 63 T CB -0.111 68.702 68.868 -0.091 0.000 1.111 63 T HN 0.275 nan 8.240 nan 0.000 0.529 64 N N 1.661 120.312 118.700 -0.082 0.000 2.714 64 N HA -0.146 4.594 4.740 -0.000 0.000 0.250 64 N C -1.021 174.470 175.510 -0.031 0.000 1.117 64 N CA 0.758 53.786 53.050 -0.035 0.000 0.719 64 N CB -2.047 36.424 38.487 -0.026 0.000 1.081 64 N HN 0.739 nan 8.380 nan 0.000 0.557 65 N N -0.663 118.009 118.700 -0.047 0.000 2.399 65 N HA 0.400 5.140 4.740 -0.000 0.000 0.295 65 N C -0.298 175.182 175.510 -0.050 0.000 1.048 65 N CA -0.708 52.316 53.050 -0.044 0.000 0.886 65 N CB 1.793 40.251 38.487 -0.048 0.000 1.185 65 N HN -0.183 nan 8.380 nan 0.000 0.487 66 V N 3.676 123.565 119.914 -0.042 0.000 2.446 66 V HA 0.019 4.138 4.120 -0.000 0.000 0.276 66 V C 1.391 177.457 176.094 -0.047 0.000 1.030 66 V CA 0.214 62.485 62.300 -0.048 0.000 1.033 66 V CB -0.181 31.622 31.823 -0.034 0.000 0.993 66 V HN 0.677 nan 8.190 nan 0.000 0.477 67 I N 2.302 122.836 120.570 -0.059 0.000 3.783 67 I HA 0.698 4.868 4.170 -0.000 0.000 0.310 67 I C 0.711 176.806 176.117 -0.036 0.000 1.274 67 I CA 0.379 61.650 61.300 -0.048 0.000 1.294 67 I CB 0.283 38.249 38.000 -0.057 0.000 1.051 67 I HN 0.559 nan 8.210 nan 0.000 0.435 68 A N 0.264 123.062 122.820 -0.036 0.000 2.586 68 A HA 0.734 5.054 4.320 -0.000 0.000 0.291 68 A C -0.809 176.769 177.584 -0.010 0.000 1.062 68 A CA -0.428 51.598 52.037 -0.018 0.000 0.666 68 A CB 1.117 20.112 19.000 -0.009 0.000 1.281 68 A HN 0.068 nan 8.150 nan 0.000 0.421 69 T N 1.144 115.699 114.554 0.001 0.000 2.965 69 T HA 0.541 4.891 4.350 -0.000 0.000 0.306 69 T C -1.028 173.681 174.700 0.015 0.000 0.991 69 T CA -0.308 61.797 62.100 0.009 0.000 1.001 69 T CB 1.122 69.993 68.868 0.005 0.000 0.984 69 T HN 0.803 nan 8.240 nan 0.000 0.446 70 V N 6.543 126.473 119.914 0.026 0.000 2.398 70 V HA 0.457 4.577 4.120 -0.000 0.000 0.286 70 V C -1.999 174.105 176.094 0.016 0.000 1.026 70 V CA -2.265 60.047 62.300 0.020 0.000 0.868 70 V CB 1.426 33.264 31.823 0.026 0.000 0.982 70 V HN 0.649 nan 8.190 nan 0.000 0.443 71 P HA 0.338 nan 4.420 nan 0.000 0.271 71 P C -0.415 176.888 177.300 0.005 0.000 1.216 71 P CA 0.187 63.291 63.100 0.007 0.000 0.776 71 P CB 1.706 33.408 31.700 0.004 0.000 0.881 72 A N 3.226 126.051 122.820 0.007 0.000 3.837 72 A HA 0.828 5.148 4.320 -0.000 0.000 0.167 72 A C 0.581 178.168 177.584 0.005 0.000 0.997 72 A CA -0.007 52.033 52.037 0.005 0.000 0.865 72 A CB 0.106 19.112 19.000 0.010 0.000 1.484 72 A HN 0.530 nan 8.150 nan 0.000 0.688 73 G N -0.797 108.007 108.800 0.007 0.000 2.574 73 G HA2 0.472 4.432 3.960 -0.000 0.000 0.248 73 G HA3 0.472 4.432 3.960 -0.000 0.000 0.248 73 G C -0.275 174.629 174.900 0.007 0.000 1.422 73 G CA 0.050 45.154 45.100 0.006 0.000 1.051 73 G HN 0.660 nan 8.290 nan 0.000 0.560 74 S N -0.114 115.589 115.700 0.005 0.000 2.448 74 S HA 0.400 4.870 4.470 -0.000 0.000 0.279 74 S C 0.569 175.175 174.600 0.009 0.000 1.195 74 S CA 0.586 58.789 58.200 0.004 0.000 1.051 74 S CB 0.799 63.998 63.200 -0.002 0.000 0.948 74 S HN 1.231 nan 8.310 nan 0.000 0.493 75 S N 3.762 119.473 115.700 0.019 0.000 3.727 75 S HA -0.080 4.390 4.470 -0.000 0.000 0.444 75 S C -2.563 172.047 174.600 0.016 0.000 0.867 75 S CA -0.708 57.510 58.200 0.030 0.000 1.324 75 S CB -0.835 62.380 63.200 0.024 0.000 0.890 75 S HN 0.481 nan 8.310 nan 0.000 0.599 76 P HA 0.197 nan 4.420 nan 0.000 0.268 76 P C 0.523 177.823 177.300 -0.000 0.000 1.205 76 P CA 0.006 63.114 63.100 0.013 0.000 0.771 76 P CB 0.643 32.354 31.700 0.019 0.000 0.858 77 Q N 1.125 120.924 119.800 -0.001 0.000 2.620 77 Q HA 0.252 4.592 4.340 -0.000 0.000 0.232 77 Q C 0.979 176.983 176.000 0.006 0.000 0.836 77 Q CA 0.768 56.559 55.803 -0.020 0.000 0.938 77 Q CB 0.111 28.832 28.738 -0.029 0.000 1.242 77 Q HN 0.584 nan 8.270 nan 0.000 0.624 78 G N 0.381 109.198 108.800 0.028 0.000 2.473 78 G HA2 0.597 4.557 3.960 -0.000 0.000 0.321 78 G HA3 0.597 4.557 3.960 -0.000 0.000 0.321 78 G C -1.230 173.710 174.900 0.068 0.000 1.200 78 G CA -0.242 44.891 45.100 0.054 0.000 0.963 78 G HN -0.035 nan 8.290 nan 0.000 0.483 79 V N -0.287 119.679 119.914 0.086 0.000 2.925 79 V HA 0.873 4.993 4.120 -0.000 0.000 0.311 79 V C -0.163 175.991 176.094 0.101 0.000 1.104 79 V CA -0.508 61.844 62.300 0.087 0.000 0.954 79 V CB 1.872 33.746 31.823 0.086 0.000 1.022 79 V HN 1.348 nan 8.190 nan 0.000 0.427 80 A N 2.990 125.879 122.820 0.115 0.000 2.515 80 A HA 0.907 5.226 4.320 -0.000 0.000 0.298 80 A C -1.516 176.158 177.584 0.151 0.000 1.059 80 A CA -0.542 51.577 52.037 0.136 0.000 0.698 80 A CB 2.094 21.173 19.000 0.133 0.000 1.289 80 A HN 0.704 nan 8.150 nan 0.000 0.404 81 V N 2.183 122.155 119.914 0.098 0.000 2.495 81 V HA 0.519 4.639 4.120 -0.000 0.000 0.298 81 V C 0.793 176.953 176.094 0.110 0.000 1.031 81 V CA -0.278 62.042 62.300 0.032 0.000 0.871 81 V CB 1.607 33.420 31.823 -0.017 0.000 0.988 81 V HN 1.189 nan 8.190 nan 0.000 0.432 82 S N 4.823 120.607 115.700 0.141 0.000 2.566 82 S HA 0.131 4.601 4.470 -0.000 0.000 0.280 82 S C -1.642 173.003 174.600 0.074 0.000 1.343 82 S CA -0.492 57.802 58.200 0.156 0.000 1.036 82 S CB 0.482 63.762 63.200 0.134 0.000 0.866 82 S HN 0.593 nan 8.310 nan 0.000 0.526 83 P HA -0.145 nan 4.420 nan 0.000 0.217 83 P C 0.636 177.957 177.300 0.035 0.000 1.148 83 P CA 1.703 64.829 63.100 0.045 0.000 0.828 83 P CB -0.143 31.581 31.700 0.040 0.000 0.783 84 D N -3.064 117.355 120.400 0.031 0.000 2.360 84 D HA 0.143 4.783 4.640 -0.000 0.000 0.210 84 D C 1.408 177.718 176.300 0.018 0.000 1.047 84 D CA 0.569 54.582 54.000 0.022 0.000 0.854 84 D CB -0.881 39.929 40.800 0.017 0.000 0.936 84 D HN 0.175 nan 8.370 nan 0.000 0.514 85 G N 0.628 109.437 108.800 0.015 0.000 2.179 85 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.260 85 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.260 85 G C 1.189 176.075 174.900 -0.024 0.000 0.977 85 G CA 0.482 45.587 45.100 0.008 0.000 0.641 85 G HN 0.316 nan 8.290 nan 0.000 0.533 86 K N -0.124 120.254 120.400 -0.036 0.000 2.305 86 K HA 0.108 4.428 4.320 -0.000 0.000 0.199 86 K C 1.096 177.622 176.600 -0.123 0.000 1.047 86 K CA 0.830 57.084 56.287 -0.055 0.000 0.976 86 K CB 0.265 32.745 32.500 -0.034 0.000 0.765 86 K HN 0.640 nan 8.250 nan 0.000 0.474 87 Q N 0.548 120.237 119.800 -0.186 0.000 2.347 87 Q HA 0.398 4.738 4.340 -0.000 0.000 0.271 87 Q C -1.207 174.449 176.000 -0.573 0.000 1.064 87 Q CA -0.610 54.969 55.803 -0.374 0.000 0.800 87 Q CB 3.025 31.515 28.738 -0.413 0.000 1.304 87 Q HN -0.217 nan 8.270 nan 0.000 0.438 88 V N 2.583 122.100 119.914 -0.662 0.000 2.459 88 V HA 0.440 4.560 4.120 -0.000 0.000 0.295 88 V C -1.259 174.449 176.094 -0.643 0.000 1.029 88 V CA -0.715 61.206 62.300 -0.632 0.000 0.874 88 V CB 0.925 32.343 31.823 -0.674 0.000 0.985 88 V HN 0.609 nan 8.190 nan 0.000 0.438 89 Y N 2.988 123.211 120.300 -0.128 0.000 2.352 89 Y HA 0.732 5.281 4.550 -0.000 0.000 0.339 89 Y C -0.058 175.811 175.900 -0.052 0.000 0.992 89 Y CA -1.001 57.055 58.100 -0.074 0.000 1.100 89 Y CB 1.925 40.353 38.460 -0.053 0.000 1.192 89 Y HN 0.340 nan 8.280 nan 0.000 0.458 90 V N 2.013 121.982 119.914 0.092 0.000 2.588 90 V HA 0.437 4.557 4.120 -0.000 0.000 0.304 90 V C -0.362 175.765 176.094 0.055 0.000 1.042 90 V CA -1.151 61.183 62.300 0.058 0.000 0.877 90 V CB 2.056 33.893 31.823 0.024 0.000 0.996 90 V HN 0.852 nan 8.190 nan 0.000 0.425 91 T N 1.461 116.043 114.554 0.047 0.000 2.780 91 T HA 0.508 4.858 4.350 -0.000 0.000 0.294 91 T C -0.204 174.509 174.700 0.022 0.000 0.949 91 T CA -0.689 61.431 62.100 0.034 0.000 1.074 91 T CB 0.767 69.653 68.868 0.031 0.000 0.910 91 T HN 0.582 nan 8.240 nan 0.000 0.501 95 S N 0.187 115.886 115.700 -0.000 0.000 2.556 95 S HA 0.346 4.816 4.470 -0.000 0.000 0.216 95 S C 0.618 175.219 174.600 0.001 0.000 0.970 95 S CA 0.942 59.142 58.200 -0.000 0.000 0.912 95 S CB -0.295 62.905 63.200 0.000 0.000 0.790 95 S HN 1.289 nan 8.310 nan 0.000 0.504 96 S N 1.712 117.414 115.700 0.003 0.000 3.550 96 S HA -0.125 4.345 4.470 -0.000 0.000 0.372 96 S C 0.305 174.908 174.600 0.005 0.000 0.966 96 S CA 0.919 59.121 58.200 0.004 0.000 1.229 96 S CB -2.319 60.883 63.200 0.003 0.000 0.917 96 S HN 1.157 nan 8.310 nan 0.000 0.496 97 T N -1.803 112.755 114.554 0.007 0.000 2.883 97 T HA 0.776 5.126 4.350 -0.000 0.000 0.296 97 T C -0.886 173.823 174.700 0.016 0.000 1.117 97 T CA -1.107 60.999 62.100 0.009 0.000 1.006 97 T CB 1.958 70.830 68.868 0.007 0.000 1.191 97 T HN 0.277 nan 8.240 nan 0.000 0.508 98 L N 1.300 122.536 121.223 0.022 0.000 2.333 98 L HA 0.726 5.066 4.340 -0.000 0.000 0.280 98 L C -0.473 176.420 176.870 0.039 0.000 1.004 98 L CA -0.160 54.704 54.840 0.039 0.000 0.820 98 L CB 2.063 44.152 42.059 0.049 0.000 1.247 98 L HN 0.858 nan 8.230 nan 0.000 0.416 99 S N 3.517 119.237 115.700 0.033 0.000 2.499 99 S HA 0.609 5.079 4.470 -0.000 0.000 0.279 99 S C -0.578 174.014 174.600 -0.012 0.000 1.219 99 S CA -0.550 57.654 58.200 0.007 0.000 1.062 99 S CB 1.466 64.663 63.200 -0.006 0.000 0.978 99 S HN 0.418 nan 8.310 nan 0.000 0.489 100 V N 5.185 125.071 119.914 -0.046 0.000 2.347 100 V HA 0.425 4.545 4.120 -0.000 0.000 0.280 100 V C -0.233 175.755 176.094 -0.177 0.000 1.021 100 V CA -0.464 61.748 62.300 -0.147 0.000 0.847 100 V CB 0.822 32.592 31.823 -0.088 0.000 0.990 100 V HN 0.760 nan 8.190 nan 0.000 0.444 101 I N 3.869 124.283 120.570 -0.261 0.000 2.377 101 I HA 0.349 4.519 4.170 -0.000 0.000 0.293 101 I C -0.089 175.901 176.117 -0.213 0.000 0.987 101 I CA -0.407 60.776 61.300 -0.195 0.000 1.185 101 I CB 1.709 39.609 38.000 -0.167 0.000 1.341 101 I HN 0.532 nan 8.210 nan 0.000 0.455 102 D N 4.919 125.240 120.400 -0.132 0.000 2.316 102 D HA 0.047 4.687 4.640 -0.000 0.000 0.245 102 D C 1.162 177.419 176.300 -0.072 0.000 1.171 102 D CA -0.133 53.804 54.000 -0.104 0.000 0.856 102 D CB 1.463 42.222 40.800 -0.068 0.000 1.090 102 D HN 0.697 nan 8.370 nan 0.000 0.476 103 T N -0.341 114.170 114.554 -0.072 0.000 3.085 103 T HA -0.129 4.221 4.350 -0.000 0.000 0.263 103 T C 1.672 176.374 174.700 0.004 0.000 1.127 103 T CA 1.206 63.298 62.100 -0.012 0.000 1.103 103 T CB -0.222 68.651 68.868 0.008 0.000 0.921 103 T HN 0.417 nan 8.240 nan 0.000 0.510 104 T N -0.126 114.421 114.554 -0.012 0.000 3.067 104 T HA 0.068 4.418 4.350 -0.000 0.000 0.261 104 T C 1.930 176.627 174.700 -0.006 0.000 1.110 104 T CA 0.878 62.974 62.100 -0.007 0.000 1.113 104 T CB -0.346 68.516 68.868 -0.011 0.000 0.917 104 T HN 0.557 nan 8.240 nan 0.000 0.499 105 S N 0.181 115.876 115.700 -0.010 0.000 2.687 105 S HA 0.205 4.675 4.470 -0.000 0.000 0.247 105 S C 0.340 174.937 174.600 -0.005 0.000 1.050 105 S CA -0.379 57.816 58.200 -0.008 0.000 1.063 105 S CB -0.318 62.874 63.200 -0.013 0.000 1.039 105 S HN 0.350 nan 8.310 nan 0.000 0.580 106 N N 2.767 121.466 118.700 -0.001 0.000 2.688 106 N HA -0.117 4.623 4.740 -0.000 0.000 0.258 106 N C -0.401 175.109 175.510 -0.001 0.000 1.016 106 N CA 1.696 54.752 53.050 0.011 0.000 0.747 106 N CB -1.752 36.751 38.487 0.026 0.000 0.895 106 N HN 0.957 nan 8.380 nan 0.000 0.543 107 T N -4.845 109.698 114.554 -0.017 0.000 2.883 107 T HA 0.542 4.892 4.350 -0.000 0.000 0.301 107 T C -0.027 174.653 174.700 -0.034 0.000 1.158 107 T CA -0.875 61.213 62.100 -0.020 0.000 1.007 107 T CB 2.085 70.943 68.868 -0.017 0.000 1.186 107 T HN -0.110 nan 8.240 nan 0.000 0.499 108 V N 1.964 121.860 119.914 -0.030 0.000 2.479 108 V HA 0.489 4.609 4.120 -0.000 0.000 0.281 108 V C 1.205 177.277 176.094 -0.037 0.000 1.031 108 V CA 0.436 62.713 62.300 -0.038 0.000 1.038 108 V CB 0.429 32.236 31.823 -0.025 0.000 0.981 108 V HN 1.212 nan 8.190 nan 0.000 0.478 109 A N 4.031 126.821 122.820 -0.050 0.000 2.470 109 A HA 0.726 5.046 4.320 -0.000 0.000 0.251 109 A C 0.784 178.348 177.584 -0.033 0.000 1.245 109 A CA 0.469 52.481 52.037 -0.042 0.000 0.932 109 A CB 0.248 19.217 19.000 -0.052 0.000 1.037 109 A HN 1.167 nan 8.150 nan 0.000 0.522 110 G N -1.659 107.123 108.800 -0.030 0.000 2.442 110 G HA2 0.478 4.438 3.960 -0.000 0.000 0.296 110 G HA3 0.478 4.438 3.960 -0.000 0.000 0.296 110 G C -1.288 173.608 174.900 -0.008 0.000 1.564 110 G CA -0.208 44.883 45.100 -0.015 0.000 0.828 110 G HN 0.106 nan 8.290 nan 0.000 0.571 111 T N 0.548 115.102 114.554 0.000 0.000 2.937 111 T HA 0.565 4.915 4.350 -0.000 0.000 0.297 111 T C -0.563 174.141 174.700 0.008 0.000 0.991 111 T CA -0.383 61.719 62.100 0.005 0.000 0.990 111 T CB 1.677 70.546 68.868 0.000 0.000 0.991 111 T HN 0.613 nan 8.240 nan 0.000 0.440 112 V N 4.077 123.999 119.914 0.014 0.000 2.459 112 V HA 0.440 4.560 4.120 -0.000 0.000 0.295 112 V C 0.158 176.255 176.094 0.005 0.000 1.029 112 V CA -1.072 61.233 62.300 0.009 0.000 0.874 112 V CB 1.782 33.612 31.823 0.012 0.000 0.985 112 V HN 0.704 nan 8.190 nan 0.000 0.438 113 K N 3.124 123.524 120.400 0.001 0.000 2.339 113 K HA 0.416 4.736 4.320 -0.000 0.000 0.286 113 K C 0.506 177.104 176.600 -0.002 0.000 1.050 113 K CA -0.160 56.127 56.287 0.000 0.000 0.956 113 K CB 1.066 33.565 32.500 -0.001 0.000 0.990 113 K HN 0.952 nan 8.250 nan 0.000 0.475 114 T N -0.839 113.715 114.554 0.000 0.000 2.855 114 T HA 0.483 4.833 4.350 -0.000 0.000 0.275 114 T C 0.853 175.554 174.700 0.002 0.000 1.022 114 T CA -0.805 61.295 62.100 -0.000 0.000 0.977 114 T CB 0.955 69.825 68.868 0.003 0.000 1.559 114 T HN 0.479 nan 8.240 nan 0.000 0.600 115 G N -0.348 108.455 108.800 0.004 0.000 2.611 115 G HA2 0.425 4.385 3.960 -0.000 0.000 0.273 115 G HA3 0.425 4.385 3.960 -0.000 0.000 0.273 115 G C -0.637 174.267 174.900 0.007 0.000 1.305 115 G CA -0.912 44.192 45.100 0.007 0.000 1.010 115 G HN 0.809 nan 8.290 nan 0.000 0.509 116 K N 0.127 120.532 120.400 0.008 0.000 2.322 116 K HA 0.289 4.609 4.320 -0.000 0.000 0.283 116 K C 0.557 177.161 176.600 0.008 0.000 1.042 116 K CA 0.395 56.687 56.287 0.007 0.000 0.958 116 K CB 0.962 33.467 32.500 0.008 0.000 0.984 116 K HN 0.539 nan 8.250 nan 0.000 0.473 117 S N 2.336 118.039 115.700 0.005 0.000 3.436 117 S HA -0.074 4.396 4.470 -0.000 0.000 0.393 117 S C -2.369 172.234 174.600 0.004 0.000 0.914 117 S CA -0.732 57.470 58.200 0.002 0.000 1.317 117 S CB -0.880 62.319 63.200 -0.000 0.000 0.920 117 S HN 0.409 nan 8.310 nan 0.000 0.564 118 P HA 0.307 nan 4.420 nan 0.000 0.270 118 P C 0.552 177.857 177.300 0.008 0.000 1.223 118 P CA -0.395 62.712 63.100 0.012 0.000 0.785 118 P CB 0.811 32.519 31.700 0.014 0.000 0.923 119 L N 0.847 122.079 121.223 0.015 0.000 2.884 119 L HA 0.488 4.827 4.340 -0.000 0.000 0.155 119 L C 0.699 177.586 176.870 0.028 0.000 1.296 119 L CA 1.155 56.001 54.840 0.010 0.000 0.946 119 L CB -0.659 41.399 42.059 -0.001 0.000 1.862 119 L HN 0.464 nan 8.230 nan 0.000 0.529 120 G N 1.456 110.280 108.800 0.040 0.000 2.444 120 G HA2 0.566 4.526 3.960 -0.000 0.000 0.268 120 G HA3 0.566 4.526 3.960 -0.000 0.000 0.268 120 G C -1.204 173.734 174.900 0.064 0.000 1.203 120 G CA 0.072 45.208 45.100 0.059 0.000 0.835 120 G HN 0.649 nan 8.290 nan 0.000 0.543 121 L N -0.414 120.851 121.223 0.071 0.000 2.472 121 L HA 0.939 5.279 4.340 -0.000 0.000 0.260 121 L C -0.702 176.215 176.870 0.078 0.000 0.963 121 L CA -1.246 53.633 54.840 0.066 0.000 0.829 121 L CB 2.203 44.289 42.059 0.044 0.000 1.348 121 L HN 0.801 nan 8.230 nan 0.000 0.408 122 A N 2.970 125.848 122.820 0.097 0.000 2.459 122 A HA 0.760 5.080 4.320 -0.000 0.000 0.296 122 A C -1.693 175.977 177.584 0.144 0.000 1.039 122 A CA -0.435 51.665 52.037 0.105 0.000 0.698 122 A CB 1.910 20.971 19.000 0.101 0.000 1.261 122 A HN 0.647 nan 8.150 nan 0.000 0.405 123 L N 2.095 123.360 121.223 0.071 0.000 2.325 123 L HA 0.597 4.937 4.340 -0.000 0.000 0.279 123 L C 1.076 178.011 176.870 0.108 0.000 1.054 123 L CA 0.340 55.199 54.840 0.033 0.000 0.804 123 L CB 1.619 43.651 42.059 -0.046 0.000 1.200 123 L HN 0.888 nan 8.230 nan 0.000 0.436 124 S N 4.099 119.884 115.700 0.142 0.000 2.579 124 S HA 0.259 4.729 4.470 -0.000 0.000 0.275 124 S C -1.801 172.841 174.600 0.071 0.000 1.345 124 S CA -0.764 57.526 58.200 0.149 0.000 1.031 124 S CB 0.294 63.597 63.200 0.171 0.000 0.892 124 S HN 0.605 nan 8.310 nan 0.000 0.529 125 P HA -0.118 nan 4.420 nan 0.000 0.218 125 P C 0.696 178.017 177.300 0.035 0.000 1.148 125 P CA 1.495 64.619 63.100 0.041 0.000 0.822 125 P CB -0.245 31.476 31.700 0.034 0.000 0.784 126 D N -1.931 118.490 120.400 0.034 0.000 2.348 126 D HA 0.082 4.721 4.640 -0.000 0.000 0.211 126 D C 1.532 177.846 176.300 0.024 0.000 0.998 126 D CA 0.848 54.864 54.000 0.026 0.000 0.873 126 D CB -0.975 39.839 40.800 0.022 0.000 0.925 126 D HN 0.243 nan 8.370 nan 0.000 0.524 127 G N 0.494 109.308 108.800 0.022 0.000 2.176 127 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.253 127 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.253 127 G C 1.087 175.979 174.900 -0.014 0.000 0.979 127 G CA 0.512 45.620 45.100 0.013 0.000 0.641 127 G HN 0.455 nan 8.290 nan 0.000 0.530 128 K N -0.416 119.973 120.400 -0.019 0.000 2.167 128 K HA 0.125 4.445 4.320 -0.000 0.000 0.203 128 K C 0.891 177.430 176.600 -0.102 0.000 1.052 128 K CA 0.812 57.075 56.287 -0.039 0.000 0.956 128 K CB 0.126 32.613 32.500 -0.022 0.000 0.735 128 K HN 0.231 nan 8.250 nan 0.000 0.451 129 K N 0.985 121.307 120.400 -0.130 0.000 2.292 129 K HA 0.335 4.654 4.320 -0.000 0.000 0.257 129 K C -1.500 174.857 176.600 -0.404 0.000 0.940 129 K CA -0.544 55.568 56.287 -0.291 0.000 0.811 129 K CB 1.667 33.984 32.500 -0.304 0.000 1.120 129 K HN -0.147 nan 8.250 nan 0.000 0.428 130 L N 3.749 124.647 121.223 -0.542 0.000 2.341 130 L HA 0.520 4.860 4.340 -0.000 0.000 0.278 130 L C -1.758 174.785 176.870 -0.546 0.000 1.005 130 L CA -0.381 54.182 54.840 -0.461 0.000 0.818 130 L CB 0.843 42.607 42.059 -0.491 0.000 1.259 130 L HN 0.541 nan 8.230 nan 0.000 0.418 131 Y N 4.216 124.459 120.300 -0.095 0.000 2.328 131 Y HA 0.654 5.204 4.550 -0.000 0.000 0.337 131 Y C -0.305 175.572 175.900 -0.038 0.000 0.966 131 Y CA -0.901 57.167 58.100 -0.054 0.000 1.136 131 Y CB 1.830 40.269 38.460 -0.036 0.000 1.170 131 Y HN 0.264 nan 8.280 nan 0.000 0.470 132 V N 2.791 122.751 119.914 0.078 0.000 2.448 132 V HA 0.369 4.489 4.120 -0.000 0.000 0.295 132 V C -0.249 175.881 176.094 0.060 0.000 1.025 132 V CA -1.081 61.250 62.300 0.052 0.000 0.859 132 V CB 1.946 33.776 31.823 0.012 0.000 0.988 132 V HN 0.847 nan 8.190 nan 0.000 0.431 133 T N 1.301 115.891 114.554 0.060 0.000 2.729 133 T HA 0.308 4.658 4.350 -0.000 0.000 0.296 133 T C 0.012 174.735 174.700 0.038 0.000 0.928 133 T CA -0.720 61.412 62.100 0.054 0.000 1.045 133 T CB 0.043 68.946 68.868 0.058 0.000 0.902 133 T HN 0.526 nan 8.240 nan 0.000 0.500 134 N N 4.308 123.028 118.700 0.033 0.000 2.555 134 N HA 0.050 4.790 4.740 -0.000 0.000 0.244 134 N C 1.111 176.637 175.510 0.026 0.000 1.114 134 N CA -0.213 52.852 53.050 0.024 0.000 0.963 134 N CB 0.647 39.146 38.487 0.021 0.000 1.276 134 N HN 0.722 nan 8.380 nan 0.000 0.510 135 N N 1.937 120.650 118.700 0.021 0.000 2.205 135 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 135 N C 0.991 176.514 175.510 0.022 0.000 1.015 135 N CA 0.806 53.869 53.050 0.021 0.000 0.862 135 N CB 0.203 38.691 38.487 0.001 0.000 0.986 135 N HN 0.466 nan 8.380 nan 0.000 0.429 136 G N -0.891 107.918 108.800 0.016 0.000 3.609 136 G HA2 0.082 4.042 3.960 -0.000 0.000 0.280 136 G HA3 0.082 4.042 3.960 -0.000 0.000 0.280 136 G C 0.045 174.956 174.900 0.019 0.000 1.155 136 G CA -0.197 44.913 45.100 0.017 0.000 0.876 136 G HN 0.213 nan 8.290 nan 0.000 0.535 137 D N 0.039 120.452 120.400 0.022 0.000 2.460 137 D HA 0.076 4.716 4.640 -0.000 0.000 0.263 137 D C 1.002 177.316 176.300 0.023 0.000 1.209 137 D CA -0.132 53.880 54.000 0.020 0.000 0.818 137 D CB 0.142 40.952 40.800 0.017 0.000 1.239 137 D HN 0.150 nan 8.370 nan 0.000 0.530 138 K N 0.180 120.598 120.400 0.030 0.000 3.192 138 K HA -0.141 4.178 4.320 -0.000 0.000 0.278 138 K C -0.307 176.310 176.600 0.029 0.000 1.164 138 K CA 1.180 57.486 56.287 0.032 0.000 0.816 138 K CB -2.365 30.152 32.500 0.028 0.000 1.256 138 K HN 0.421 nan 8.250 nan 0.000 0.497 139 T N -4.085 110.487 114.554 0.030 0.000 2.812 139 T HA 0.701 5.051 4.350 -0.000 0.000 0.294 139 T C -0.502 174.219 174.700 0.036 0.000 1.159 139 T CA -0.904 61.213 62.100 0.029 0.000 1.008 139 T CB 2.607 71.488 68.868 0.022 0.000 1.289 139 T HN -0.086 nan 8.240 nan 0.000 0.514 140 V N 1.545 121.484 119.914 0.041 0.000 2.588 140 V HA 0.599 4.719 4.120 -0.000 0.000 0.304 140 V C -0.218 175.906 176.094 0.049 0.000 1.042 140 V CA -0.749 61.586 62.300 0.059 0.000 0.877 140 V CB 2.101 33.976 31.823 0.088 0.000 0.996 140 V HN 1.100 nan 8.190 nan 0.000 0.425 141 S N 3.526 119.246 115.700 0.032 0.000 2.499 141 S HA 0.541 5.011 4.470 -0.000 0.000 0.279 141 S C -0.269 174.304 174.600 -0.045 0.000 1.219 141 S CA -0.488 57.709 58.200 -0.004 0.000 1.062 141 S CB 1.546 64.736 63.200 -0.016 0.000 0.978 141 S HN 0.465 nan 8.310 nan 0.000 0.489 142 V N 5.287 125.151 119.914 -0.083 0.000 2.333 142 V HA 0.382 4.502 4.120 -0.000 0.000 0.274 142 V C -0.144 175.820 176.094 -0.218 0.000 1.028 142 V CA -0.395 61.769 62.300 -0.226 0.000 0.851 142 V CB 0.373 32.102 31.823 -0.156 0.000 1.000 142 V HN 0.762 nan 8.190 nan 0.000 0.456 143 I N 4.441 124.843 120.570 -0.281 0.000 2.359 143 I HA 0.351 4.521 4.170 -0.000 0.000 0.294 143 I C 0.345 176.339 176.117 -0.205 0.000 0.987 143 I CA -0.440 60.741 61.300 -0.198 0.000 1.225 143 I CB 1.521 39.423 38.000 -0.163 0.000 1.366 143 I HN 0.507 nan 8.210 nan 0.000 0.466 144 N N 4.524 123.148 118.700 -0.127 0.000 2.415 144 N HA 0.014 4.754 4.740 -0.000 0.000 0.246 144 N C 1.084 176.555 175.510 -0.065 0.000 1.078 144 N CA -0.032 52.960 53.050 -0.097 0.000 0.942 144 N CB 1.156 39.606 38.487 -0.061 0.000 1.140 144 N HN 0.756 nan 8.380 nan 0.000 0.501 145 T N 0.175 114.686 114.554 -0.071 0.000 2.977 145 T HA -0.067 4.283 4.350 -0.000 0.000 0.271 145 T C 1.701 176.427 174.700 0.044 0.000 1.105 145 T CA 0.766 62.871 62.100 0.008 0.000 1.116 145 T CB 0.005 68.881 68.868 0.012 0.000 0.878 145 T HN 0.177 nan 8.240 nan 0.000 0.509 146 V N 2.489 122.409 119.914 0.010 0.000 2.331 146 V HA -0.048 4.072 4.120 -0.000 0.000 0.242 146 V C 3.143 179.240 176.094 0.006 0.000 1.034 146 V CA 1.963 64.270 62.300 0.012 0.000 1.027 146 V CB -0.717 31.107 31.823 0.002 0.000 0.667 146 V HN 0.778 nan 8.190 nan 0.000 0.457 147 T N -3.168 111.384 114.554 -0.004 0.000 3.067 147 T HA -0.010 4.340 4.350 -0.000 0.000 0.261 147 T C 0.808 175.506 174.700 -0.003 0.000 1.110 147 T CA 0.210 62.306 62.100 -0.006 0.000 1.113 147 T CB -0.149 68.712 68.868 -0.012 0.000 0.917 147 T HN 0.476 nan 8.240 nan 0.000 0.499 148 K N 0.844 121.244 120.400 0.001 0.000 3.125 148 K HA -0.086 4.234 4.320 -0.000 0.000 0.268 148 K C -0.115 176.481 176.600 -0.007 0.000 1.078 148 K CA 0.610 56.902 56.287 0.008 0.000 0.775 148 K CB -2.638 29.872 32.500 0.017 0.000 1.253 148 K HN 0.747 nan 8.250 nan 0.000 0.486 149 A N -0.110 122.697 122.820 -0.021 0.000 2.435 149 A HA 0.644 4.964 4.320 -0.000 0.000 0.304 149 A C -0.043 177.516 177.584 -0.041 0.000 1.064 149 A CA -0.696 51.326 52.037 -0.025 0.000 0.727 149 A CB 1.780 20.768 19.000 -0.021 0.000 1.284 149 A HN 0.066 nan 8.150 nan 0.000 0.415 150 V N 2.753 122.644 119.914 -0.038 0.000 2.470 150 V HA 0.129 4.248 4.120 -0.000 0.000 0.276 150 V C 1.104 177.173 176.094 -0.043 0.000 1.040 150 V CA 0.692 62.964 62.300 -0.048 0.000 1.008 150 V CB 0.277 32.080 31.823 -0.034 0.000 0.990 150 V HN 0.800 nan 8.190 nan 0.000 0.477 151 I N 1.505 122.042 120.570 -0.055 0.000 3.783 151 I HA 0.383 4.552 4.170 -0.000 0.000 0.310 151 I C 0.740 176.838 176.117 -0.031 0.000 1.274 151 I CA 0.582 61.858 61.300 -0.042 0.000 1.294 151 I CB 0.112 38.082 38.000 -0.049 0.000 1.051 151 I HN 0.608 nan 8.210 nan 0.000 0.435 152 N N 0.071 118.751 118.700 -0.033 0.000 2.815 152 N HA 0.229 4.969 4.740 -0.000 0.000 0.253 152 N C -1.580 173.925 175.510 -0.008 0.000 1.202 152 N CA -0.205 52.837 53.050 -0.015 0.000 0.925 152 N CB 2.285 40.769 38.487 -0.005 0.000 1.622 152 N HN -0.087 nan 8.380 nan 0.000 0.497 153 T N 1.476 116.031 114.554 0.002 0.000 2.833 153 T HA 0.359 4.709 4.350 -0.000 0.000 0.297 153 T C -0.292 174.418 174.700 0.017 0.000 1.015 153 T CA -0.348 61.757 62.100 0.009 0.000 0.963 153 T CB 0.970 69.841 68.868 0.005 0.000 0.955 153 T HN 0.220 nan 8.240 nan 0.000 0.449 154 V N 3.271 123.202 119.914 0.029 0.000 2.465 154 V HA 0.404 4.524 4.120 -0.000 0.000 0.279 154 V C 0.757 176.864 176.094 0.022 0.000 1.045 154 V CA -0.672 61.644 62.300 0.027 0.000 0.938 154 V CB 1.619 33.466 31.823 0.040 0.000 0.986 154 V HN 0.892 nan 8.190 nan 0.000 0.467 155 S N 4.563 120.271 115.700 0.014 0.000 2.481 155 S HA 0.520 4.990 4.470 -0.000 0.000 0.276 155 S C -0.125 174.482 174.600 0.012 0.000 1.247 155 S CA -0.401 57.806 58.200 0.013 0.000 1.053 155 S CB 0.432 63.638 63.200 0.009 0.000 0.925 155 S HN 0.783 nan 8.310 nan 0.000 0.491 156 V N 3.393 123.317 119.914 0.018 0.000 3.998 156 V HA 0.965 5.084 4.120 -0.000 0.000 0.297 156 V C 1.008 177.116 176.094 0.023 0.000 1.378 156 V CA -0.353 61.959 62.300 0.019 0.000 0.949 156 V CB 0.230 32.068 31.823 0.026 0.000 1.258 156 V HN 0.810 nan 8.190 nan 0.000 0.471 157 G N -0.533 108.286 108.800 0.031 0.000 2.510 157 G HA2 0.507 4.467 3.960 -0.000 0.000 0.280 157 G HA3 0.507 4.467 3.960 -0.000 0.000 0.280 157 G C -0.416 174.511 174.900 0.045 0.000 1.386 157 G CA -1.090 44.031 45.100 0.034 0.000 1.047 157 G HN 0.743 nan 8.290 nan 0.000 0.527 158 R N -0.214 120.315 120.500 0.050 0.000 2.438 158 R HA 0.336 4.676 4.340 -0.000 0.000 0.287 158 R C 0.484 176.841 176.300 0.095 0.000 1.077 158 R CA 0.552 56.690 56.100 0.062 0.000 1.034 158 R CB 0.992 31.326 30.300 0.056 0.000 0.993 158 R HN 0.670 nan 8.270 nan 0.000 0.459 159 S N 2.083 117.837 115.700 0.091 0.000 3.608 159 S HA -0.068 4.402 4.470 -0.000 0.000 0.382 159 S C -2.139 172.536 174.600 0.124 0.000 0.945 159 S CA -0.441 57.825 58.200 0.109 0.000 1.256 159 S CB -0.609 62.694 63.200 0.171 0.000 0.913 159 S HN 0.523 nan 8.310 nan 0.000 0.518 160 P HA 0.269 nan 4.420 nan 0.000 0.271 160 P C 0.291 177.637 177.300 0.077 0.000 1.216 160 P CA -0.216 62.938 63.100 0.091 0.000 0.776 160 P CB 1.085 32.826 31.700 0.068 0.000 0.881 161 K N 1.655 122.111 120.400 0.092 0.000 3.248 161 K HA 0.296 4.615 4.320 -0.000 0.000 0.255 161 K C 1.121 177.770 176.600 0.081 0.000 1.395 161 K CA -0.324 56.002 56.287 0.065 0.000 1.139 161 K CB -0.504 32.026 32.500 0.049 0.000 2.091 161 K HN 0.478 nan 8.250 nan 0.000 0.408 162 G N 1.921 110.783 108.800 0.103 0.000 2.491 162 G HA2 0.344 4.304 3.960 -0.000 0.000 0.238 162 G HA3 0.344 4.304 3.960 -0.000 0.000 0.238 162 G C -0.701 174.263 174.900 0.107 0.000 1.277 162 G CA 0.045 45.211 45.100 0.111 0.000 0.851 162 G HN 0.364 nan 8.290 nan 0.000 0.573 163 I N 0.561 121.192 120.570 0.102 0.000 2.775 163 I HA 0.663 4.833 4.170 -0.000 0.000 0.295 163 I C -0.745 175.426 176.117 0.090 0.000 1.287 163 I CA -0.811 60.544 61.300 0.093 0.000 1.029 163 I CB 2.007 40.055 38.000 0.080 0.000 1.282 163 I HN 0.835 nan 8.210 nan 0.000 0.426 164 A N 5.992 128.864 122.820 0.087 0.000 2.574 164 A HA 0.753 5.073 4.320 -0.000 0.000 0.297 164 A C -1.896 175.723 177.584 0.059 0.000 1.062 164 A CA -0.513 51.572 52.037 0.080 0.000 0.686 164 A CB 1.790 20.847 19.000 0.095 0.000 1.285 164 A HN 0.409 nan 8.150 nan 0.000 0.403 165 V N 1.775 121.704 119.914 0.026 0.000 2.472 165 V HA 0.592 4.712 4.120 -0.000 0.000 0.290 165 V C 0.944 177.066 176.094 0.046 0.000 1.037 165 V CA -0.058 62.235 62.300 -0.013 0.000 0.908 165 V CB 1.645 33.442 31.823 -0.043 0.000 0.985 165 V HN 1.141 nan 8.190 nan 0.000 0.454 166 T N 2.637 117.229 114.554 0.063 0.000 2.900 166 T HA 0.158 4.508 4.350 -0.000 0.000 0.307 166 T C -1.533 173.192 174.700 0.042 0.000 1.065 166 T CA -1.148 60.997 62.100 0.075 0.000 1.105 166 T CB 0.795 69.721 68.868 0.096 0.000 0.979 166 T HN 0.526 nan 8.240 nan 0.000 0.544 167 P HA -0.114 nan 4.420 nan 0.000 0.217 167 P C 0.903 178.218 177.300 0.026 0.000 1.148 167 P CA 1.296 64.413 63.100 0.029 0.000 0.828 167 P CB -0.133 31.583 31.700 0.026 0.000 0.783 168 D N -1.801 118.614 120.400 0.025 0.000 2.340 168 D HA 0.102 4.742 4.640 -0.000 0.000 0.220 168 D C 1.322 177.632 176.300 0.017 0.000 1.039 168 D CA 0.433 54.445 54.000 0.020 0.000 0.866 168 D CB -1.223 39.587 40.800 0.018 0.000 0.913 168 D HN 0.184 nan 8.370 nan 0.000 0.523 169 G N 0.356 109.165 108.800 0.016 0.000 2.225 169 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.267 169 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.267 169 G C 0.997 175.892 174.900 -0.008 0.000 1.024 169 G CA 1.207 46.313 45.100 0.009 0.000 0.784 169 G HN 0.600 nan 8.290 nan 0.000 0.507 170 T N -3.579 110.965 114.554 -0.017 0.000 3.039 170 T HA 0.384 4.734 4.350 -0.000 0.000 0.250 170 T C 0.924 175.577 174.700 -0.079 0.000 1.052 170 T CA 1.088 63.169 62.100 -0.032 0.000 1.125 170 T CB 0.661 69.518 68.868 -0.018 0.000 0.908 170 T HN 0.489 nan 8.240 nan 0.000 0.473 171 K N 0.518 120.860 120.400 -0.097 0.000 2.385 171 K HA 0.727 5.047 4.320 -0.000 0.000 0.248 171 K C -1.806 174.646 176.600 -0.247 0.000 0.955 171 K CA -0.904 55.261 56.287 -0.204 0.000 0.816 171 K CB 3.202 35.559 32.500 -0.238 0.000 1.250 171 K HN -0.100 nan 8.250 nan 0.000 0.434 172 V N 2.986 122.671 119.914 -0.382 0.000 2.443 172 V HA 0.297 4.417 4.120 -0.000 0.000 0.293 172 V C -1.394 174.492 176.094 -0.347 0.000 1.021 172 V CA -0.879 61.215 62.300 -0.342 0.000 0.848 172 V CB 0.749 32.255 31.823 -0.530 0.000 0.998 172 V HN 0.597 nan 8.190 nan 0.000 0.424 173 Y N 3.480 123.727 120.300 -0.089 0.000 2.313 173 Y HA 0.606 5.156 4.550 -0.000 0.000 0.332 173 Y C 0.217 176.103 175.900 -0.023 0.000 1.071 173 Y CA -0.568 57.505 58.100 -0.045 0.000 1.169 173 Y CB 1.737 40.181 38.460 -0.025 0.000 1.192 173 Y HN 0.364 nan 8.280 nan 0.000 0.487 174 V N 3.091 123.066 119.914 0.102 0.000 2.483 174 V HA 0.620 4.740 4.120 -0.000 0.000 0.297 174 V C -0.261 175.895 176.094 0.104 0.000 1.027 174 V CA -1.276 61.074 62.300 0.084 0.000 0.855 174 V CB 1.449 33.297 31.823 0.041 0.000 0.995 174 V HN 0.880 nan 8.190 nan 0.000 0.424 175 A N 3.893 126.784 122.820 0.117 0.000 2.350 175 A HA 0.483 4.803 4.320 -0.000 0.000 0.293 175 A C 0.178 177.843 177.584 0.134 0.000 1.231 175 A CA -0.274 51.839 52.037 0.127 0.000 0.883 175 A CB -0.442 18.648 19.000 0.150 0.000 1.133 175 A HN 0.924 nan 8.150 nan 0.000 0.533 176 N N 2.619 121.387 118.700 0.113 0.000 2.645 176 N HA 0.248 4.988 4.740 -0.000 0.000 0.233 176 N C 0.288 175.883 175.510 0.141 0.000 1.058 176 N CA -0.362 52.758 53.050 0.116 0.000 0.942 176 N CB 0.366 38.895 38.487 0.070 0.000 1.210 176 N HN 0.703 nan 8.380 nan 0.000 0.512 177 F N 1.956 121.927 119.950 0.036 0.000 2.065 177 F HA -0.259 4.268 4.527 0.000 0.000 0.298 177 F C 1.605 177.421 175.800 0.028 0.000 1.112 177 F CA 1.817 59.838 58.000 0.035 0.000 1.212 177 F CB 0.304 39.327 39.000 0.038 0.000 0.975 177 F HN 0.428 nan 8.300 nan 0.000 0.476 178 D N -0.711 119.797 120.400 0.179 0.000 2.347 178 D HA 0.050 4.690 4.640 -0.000 0.000 0.213 178 D C 0.982 177.283 176.300 0.002 0.000 0.985 178 D CA 0.426 54.465 54.000 0.065 0.000 0.879 178 D CB 0.103 40.979 40.800 0.127 0.000 0.919 178 D HN 0.131 nan 8.370 nan 0.000 0.526 182 I N 1.837 122.436 120.570 0.047 0.000 2.447 182 I HA 0.421 4.591 4.170 -0.000 0.000 0.287 182 I C -0.292 175.860 176.117 0.058 0.000 1.023 182 I CA -0.554 60.791 61.300 0.076 0.000 1.083 182 I CB 2.239 40.307 38.000 0.114 0.000 1.245 182 I HN 0.652 nan 8.210 nan 0.000 0.434 183 S N 4.803 120.525 115.700 0.037 0.000 2.562 183 S HA 0.497 4.966 4.470 -0.000 0.000 0.275 183 S C -0.188 174.363 174.600 -0.081 0.000 1.281 183 S CA -0.576 57.616 58.200 -0.012 0.000 1.045 183 S CB 1.634 64.827 63.200 -0.012 0.000 0.962 183 S HN 0.320 nan 8.310 nan 0.000 0.503 184 V N 4.652 124.476 119.914 -0.149 0.000 2.378 184 V HA 0.448 4.568 4.120 -0.000 0.000 0.288 184 V C -0.334 175.605 176.094 -0.258 0.000 1.016 184 V CA -0.496 61.599 62.300 -0.341 0.000 0.840 184 V CB 0.964 32.583 31.823 -0.340 0.000 0.994 184 V HN 0.753 nan 8.190 nan 0.000 0.431 185 I N 3.411 123.804 120.570 -0.294 0.000 2.377 185 I HA 0.370 4.540 4.170 -0.000 0.000 0.293 185 I C -0.340 175.657 176.117 -0.200 0.000 0.987 185 I CA -0.508 60.672 61.300 -0.199 0.000 1.185 185 I CB 1.924 39.823 38.000 -0.169 0.000 1.341 185 I HN 0.549 nan 8.210 nan 0.000 0.455 186 D N 4.174 124.499 120.400 -0.125 0.000 2.336 186 D HA 0.037 4.677 4.640 -0.000 0.000 0.249 186 D C 1.306 177.570 176.300 -0.061 0.000 1.213 186 D CA -0.248 53.697 54.000 -0.092 0.000 0.870 186 D CB 1.279 42.043 40.800 -0.060 0.000 1.076 186 D HN 0.686 nan 8.370 nan 0.000 0.483 187 T N 0.479 114.994 114.554 -0.065 0.000 3.007 187 T HA -0.100 4.249 4.350 -0.000 0.000 0.270 187 T C 1.822 176.545 174.700 0.038 0.000 1.107 187 T CA 0.705 62.806 62.100 0.001 0.000 1.118 187 T CB -0.189 68.679 68.868 -0.000 0.000 0.889 187 T HN 0.207 nan 8.240 nan 0.000 0.506 188 V N 2.570 122.489 119.914 0.010 0.000 2.453 188 V HA -0.053 4.067 4.120 -0.000 0.000 0.247 188 V C 2.935 179.037 176.094 0.014 0.000 1.048 188 V CA 2.009 64.317 62.300 0.013 0.000 1.049 188 V CB -0.644 31.180 31.823 0.002 0.000 0.672 188 V HN 0.868 nan 8.190 nan 0.000 0.457 189 T N -4.868 109.691 114.554 0.008 0.000 3.003 189 T HA 0.180 4.530 4.350 -0.000 0.000 0.261 189 T C 0.589 175.298 174.700 0.015 0.000 1.003 189 T CA 0.405 62.510 62.100 0.007 0.000 0.917 189 T CB -0.403 68.464 68.868 -0.002 0.000 1.084 189 T HN 0.496 nan 8.240 nan 0.000 0.522 190 N N 0.451 119.166 118.700 0.025 0.000 2.754 190 N HA -0.140 4.600 4.740 -0.000 0.000 0.248 190 N C -0.892 174.627 175.510 0.014 0.000 1.093 190 N CA 0.372 53.447 53.050 0.043 0.000 0.699 190 N CB -1.185 37.338 38.487 0.060 0.000 1.016 190 N HN 0.329 nan 8.380 nan 0.000 0.552 191 S N 0.137 115.832 115.700 -0.008 0.000 2.501 191 S HA 0.486 4.956 4.470 -0.000 0.000 0.301 191 S C 0.238 174.815 174.600 -0.037 0.000 1.096 191 S CA -0.679 57.511 58.200 -0.017 0.000 1.063 191 S CB 1.806 64.996 63.200 -0.017 0.000 1.042 191 S HN 0.126 nan 8.310 nan 0.000 0.494 192 V N 5.974 125.868 119.914 -0.034 0.000 2.439 192 V HA 0.139 4.259 4.120 -0.000 0.000 0.271 192 V C 1.152 177.218 176.094 -0.047 0.000 1.040 192 V CA 0.163 62.434 62.300 -0.049 0.000 1.002 192 V CB 0.216 32.018 31.823 -0.034 0.000 1.000 192 V HN 0.857 nan 8.190 nan 0.000 0.477 193 I N 0.472 121.003 120.570 -0.065 0.000 3.860 193 I HA 0.515 4.685 4.170 -0.000 0.000 0.319 193 I C 0.342 176.431 176.117 -0.047 0.000 1.279 193 I CA 0.292 61.560 61.300 -0.053 0.000 1.220 193 I CB 0.438 38.402 38.000 -0.060 0.000 1.027 193 I HN 0.621 nan 8.210 nan 0.000 0.428 194 D N -0.044 120.324 120.400 -0.053 0.000 2.722 194 D HA 0.327 4.967 4.640 -0.000 0.000 0.231 194 D C -1.332 174.952 176.300 -0.028 0.000 1.218 194 D CA -0.192 53.787 54.000 -0.035 0.000 0.753 194 D CB 1.973 42.756 40.800 -0.028 0.000 1.471 194 D HN -0.011 nan 8.370 nan 0.000 0.455 195 T N 1.749 116.297 114.554 -0.010 0.000 2.864 195 T HA 0.456 4.805 4.350 -0.000 0.000 0.299 195 T C -0.673 174.034 174.700 0.011 0.000 1.011 195 T CA -0.534 61.567 62.100 0.001 0.000 0.975 195 T CB 1.239 70.106 68.868 -0.001 0.000 0.962 195 T HN 0.220 nan 8.240 nan 0.000 0.448 196 V N 4.190 124.120 119.914 0.026 0.000 2.406 196 V HA 0.342 4.461 4.120 -0.000 0.000 0.272 196 V C 0.598 176.702 176.094 0.016 0.000 1.043 196 V CA -0.786 61.530 62.300 0.027 0.000 0.915 196 V CB 1.071 32.922 31.823 0.048 0.000 0.988 196 V HN 0.712 nan 8.190 nan 0.000 0.466 197 K N 4.577 124.980 120.400 0.004 0.000 2.322 197 K HA 0.544 4.864 4.320 -0.000 0.000 0.283 197 K C -0.535 176.059 176.600 -0.009 0.000 1.042 197 K CA -0.364 55.920 56.287 -0.005 0.000 0.958 197 K CB 1.187 33.681 32.500 -0.010 0.000 0.984 197 K HN 0.657 nan 8.250 nan 0.000 0.473 198 V N 0.608 120.512 119.914 -0.016 0.000 3.001 198 V HA 0.328 4.448 4.120 -0.000 0.000 0.314 198 V C 0.718 176.790 176.094 -0.036 0.000 1.099 198 V CA -0.691 61.596 62.300 -0.021 0.000 0.989 198 V CB 1.811 33.626 31.823 -0.014 0.000 1.040 198 V HN 0.934 nan 8.190 nan 0.000 0.434 199 E N 1.090 121.268 120.200 -0.037 0.000 2.150 199 E HA 0.140 4.490 4.350 -0.000 0.000 0.193 199 E C 0.888 177.452 176.600 -0.061 0.000 0.985 199 E CA 1.679 58.048 56.400 -0.051 0.000 0.814 199 E CB 0.285 29.956 29.700 -0.048 0.000 0.752 199 E HN 0.945 nan 8.360 nan 0.000 0.466 200 A N 0.302 123.085 122.820 -0.062 0.000 3.434 200 A HA 0.750 5.070 4.320 -0.000 0.000 0.247 200 A C -1.129 176.359 177.584 -0.160 0.000 1.075 200 A CA -0.174 51.807 52.037 -0.093 0.000 0.737 200 A CB 0.525 19.494 19.000 -0.052 0.000 1.412 200 A HN 0.056 nan 8.150 nan 0.000 0.691 201 A N 2.046 124.706 122.820 -0.266 0.000 2.391 201 A HA 0.618 4.938 4.320 -0.000 0.000 0.316 201 A C -2.505 174.943 177.584 -0.226 0.000 1.381 201 A CA -1.512 50.207 52.037 -0.530 0.000 0.998 201 A CB -0.584 17.626 19.000 -1.317 0.000 1.147 201 A HN 0.405 nan 8.150 nan 0.000 0.545 202 P HA 0.081 nan 4.420 nan 0.000 0.271 202 P C 0.352 177.816 177.300 0.273 0.000 1.216 202 P CA 0.291 63.447 63.100 0.093 0.000 0.771 202 P CB 1.947 33.690 31.700 0.072 0.000 0.864 203 S N 2.237 118.105 115.700 0.280 0.000 3.334 203 S HA 0.354 4.824 4.470 -0.000 0.000 0.224 203 S C 0.828 175.544 174.600 0.194 0.000 0.959 203 S CA 0.522 58.910 58.200 0.314 0.000 0.815 203 S CB -0.482 62.907 63.200 0.314 0.000 0.861 203 S HN 0.582 nan 8.310 nan 0.000 0.596 204 G N 1.024 109.927 108.800 0.172 0.000 2.434 204 G HA2 0.702 4.662 3.960 -0.000 0.000 0.330 204 G HA3 0.702 4.662 3.960 -0.000 0.000 0.330 204 G C -1.242 173.745 174.900 0.144 0.000 1.155 204 G CA -0.568 44.626 45.100 0.156 0.000 0.917 204 G HN 0.480 nan 8.290 nan 0.000 0.493 205 I N 0.090 120.741 120.570 0.136 0.000 2.722 205 I HA 0.622 4.792 4.170 -0.000 0.000 0.295 205 I C -0.348 175.836 176.117 0.111 0.000 1.161 205 I CA -0.972 60.397 61.300 0.114 0.000 1.032 205 I CB 2.529 40.592 38.000 0.105 0.000 1.244 205 I HN 0.665 nan 8.210 nan 0.000 0.421 206 A N 5.117 128.000 122.820 0.106 0.000 2.437 206 A HA 0.742 5.061 4.320 -0.000 0.000 0.293 206 A C -1.305 176.341 177.584 0.104 0.000 1.038 206 A CA -0.475 51.621 52.037 0.099 0.000 0.708 206 A CB 1.587 20.645 19.000 0.098 0.000 1.251 206 A HN 0.353 nan 8.150 nan 0.000 0.409 207 V N 3.592 123.542 119.914 0.059 0.000 2.481 207 V HA 0.306 4.426 4.120 -0.000 0.000 0.286 207 V C 0.313 176.453 176.094 0.077 0.000 1.042 207 V CA -0.868 61.454 62.300 0.037 0.000 0.928 207 V CB 1.403 33.233 31.823 0.012 0.000 0.986 207 V HN 1.028 nan 8.190 nan 0.000 0.462 208 N N 5.792 124.563 118.700 0.118 0.000 2.444 208 N HA 0.196 4.935 4.740 -0.000 0.000 0.255 208 N C -2.066 173.475 175.510 0.053 0.000 1.255 208 N CA -1.958 51.160 53.050 0.113 0.000 0.933 208 N CB 0.054 38.654 38.487 0.188 0.000 1.143 208 N HN 0.187 nan 8.380 nan 0.000 0.453 209 P HA -0.171 nan 4.420 nan 0.000 0.217 209 P C 0.403 177.716 177.300 0.023 0.000 1.148 209 P CA 1.679 64.791 63.100 0.020 0.000 0.834 209 P CB 0.131 31.837 31.700 0.011 0.000 0.783 210 E N -2.041 118.175 120.200 0.027 0.000 2.371 210 E HA 0.111 4.461 4.350 -0.000 0.000 0.194 210 E C 1.459 178.070 176.600 0.019 0.000 1.012 210 E CA 0.568 56.981 56.400 0.021 0.000 0.860 210 E CB -0.423 29.290 29.700 0.022 0.000 0.811 210 E HN 0.178 nan 8.360 nan 0.000 0.502 211 G N 1.604 110.416 108.800 0.020 0.000 2.148 211 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.254 211 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.254 211 G C 1.152 176.053 174.900 0.001 0.000 0.981 211 G CA 0.985 46.095 45.100 0.017 0.000 0.670 211 G HN 0.441 nan 8.290 nan 0.000 0.528 212 T N -2.786 111.764 114.554 -0.007 0.000 2.976 212 T HA 0.360 4.710 4.350 -0.000 0.000 0.257 212 T C 0.962 175.617 174.700 -0.075 0.000 1.051 212 T CA 1.378 63.463 62.100 -0.025 0.000 1.141 212 T CB 0.444 69.304 68.868 -0.013 0.000 0.881 212 T HN 0.507 nan 8.240 nan 0.000 0.461 213 K N 0.579 120.918 120.400 -0.102 0.000 2.426 213 K HA 0.765 5.085 4.320 -0.000 0.000 0.251 213 K C -1.567 174.857 176.600 -0.294 0.000 0.941 213 K CA -0.945 55.198 56.287 -0.240 0.000 0.808 213 K CB 2.527 34.840 32.500 -0.312 0.000 1.265 213 K HN 0.223 nan 8.250 nan 0.000 0.432 214 A N 2.251 124.803 122.820 -0.447 0.000 2.343 214 A HA 0.571 4.891 4.320 -0.000 0.000 0.308 214 A C -1.635 175.702 177.584 -0.412 0.000 1.092 214 A CA -0.617 51.197 52.037 -0.372 0.000 0.751 214 A CB 0.347 19.010 19.000 -0.561 0.000 1.203 214 A HN 0.609 nan 8.150 nan 0.000 0.452 215 Y N 1.315 121.565 120.300 -0.082 0.000 2.320 215 Y HA 0.510 5.059 4.550 -0.000 0.000 0.334 215 Y C 0.213 176.106 175.900 -0.012 0.000 1.055 215 Y CA -0.506 57.573 58.100 -0.035 0.000 1.143 215 Y CB 1.707 40.164 38.460 -0.005 0.000 1.193 215 Y HN 0.393 nan 8.280 nan 0.000 0.477 216 V N 2.264 122.246 119.914 0.113 0.000 2.588 216 V HA 0.428 4.547 4.120 -0.000 0.000 0.304 216 V C -0.270 175.892 176.094 0.113 0.000 1.042 216 V CA -1.177 61.181 62.300 0.097 0.000 0.877 216 V CB 1.980 33.833 31.823 0.049 0.000 0.996 216 V HN 0.843 nan 8.190 nan 0.000 0.425 217 T N 1.233 115.863 114.554 0.126 0.000 2.817 217 T HA 0.477 4.827 4.350 -0.000 0.000 0.293 217 T C -0.350 174.420 174.700 0.118 0.000 0.964 217 T CA -0.729 61.444 62.100 0.122 0.000 1.085 217 T CB 0.560 69.507 68.868 0.132 0.000 0.921 217 T HN 0.604 nan 8.240 nan 0.000 0.502 218 N N 2.379 121.135 118.700 0.094 0.000 2.314 218 N HA 0.430 5.170 4.740 -0.000 0.000 0.294 218 N C -1.057 174.495 175.510 0.070 0.000 1.029 218 N CA -0.565 52.527 53.050 0.069 0.000 0.845 218 N CB 2.395 40.907 38.487 0.041 0.000 1.321 218 N HN 0.434 nan 8.380 nan 0.000 0.481 219 V N 1.712 121.661 119.914 0.058 0.000 2.481 219 V HA 0.433 4.553 4.120 -0.000 0.000 0.286 219 V C 0.047 176.136 176.094 -0.009 0.000 1.042 219 V CA -0.218 62.120 62.300 0.063 0.000 0.928 219 V CB 1.516 33.462 31.823 0.205 0.000 0.986 219 V HN 0.703 nan 8.190 nan 0.000 0.462 220 D N 3.187 123.596 120.400 0.015 0.000 2.746 220 D HA 0.087 4.727 4.640 -0.000 0.000 0.211 220 D C -0.816 175.494 176.300 0.016 0.000 1.242 220 D CA -0.720 53.297 54.000 0.028 0.000 0.790 220 D CB 1.750 42.605 40.800 0.093 0.000 1.744 220 D HN 0.483 nan 8.370 nan 0.000 0.520 221 K N 3.585 123.966 120.400 -0.032 0.000 2.405 221 K HA 0.046 4.366 4.320 -0.000 0.000 0.276 221 K C 0.010 176.564 176.600 -0.077 0.000 1.099 221 K CA 0.864 57.027 56.287 -0.207 0.000 1.120 221 K CB -0.543 31.816 32.500 -0.236 0.000 0.877 221 K HN 0.575 nan 8.250 nan 0.000 0.472 222 Y N 1.070 121.309 120.300 -0.102 0.000 3.717 222 Y HA -0.333 4.218 4.550 0.001 0.000 0.389 222 Y C 0.068 175.686 175.900 -0.470 0.000 1.263 222 Y CA 0.987 58.913 58.100 -0.291 0.000 2.057 222 Y CB -1.424 36.815 38.460 -0.369 0.000 0.874 222 Y HN 0.559 nan 8.280 nan 0.000 0.450 223 F N 2.091 122.102 119.950 0.103 0.000 2.664 223 F HA 0.327 4.853 4.527 -0.001 0.000 0.322 223 F C 0.194 176.007 175.800 0.021 0.000 1.324 223 F CA -0.725 57.309 58.000 0.057 0.000 1.154 223 F CB 0.258 39.286 39.000 0.046 0.000 1.236 223 F HN -0.064 nan 8.300 nan 0.000 0.532 224 N N 1.701 120.463 118.700 0.104 0.000 2.472 224 N HA 0.338 5.077 4.740 -0.000 0.000 0.277 224 N C 0.225 175.780 175.510 0.075 0.000 1.081 224 N CA 0.247 53.339 53.050 0.071 0.000 0.973 224 N CB 1.762 40.262 38.487 0.021 0.000 1.105 224 N HN 0.347 nan 8.380 nan 0.000 0.470 225 T N -2.510 112.091 114.554 0.078 0.000 2.838 225 T HA 0.501 4.851 4.350 -0.000 0.000 0.292 225 T C -0.742 174.003 174.700 0.074 0.000 1.113 225 T CA -0.723 61.421 62.100 0.074 0.000 1.008 225 T CB 1.263 70.178 68.868 0.079 0.000 1.259 225 T HN 0.026 nan 8.240 nan 0.000 0.520 226 V N 2.861 122.822 119.914 0.079 0.000 2.326 226 V HA 0.581 4.700 4.120 -0.000 0.000 0.281 226 V C 0.551 176.708 176.094 0.104 0.000 1.015 226 V CA -0.465 61.897 62.300 0.102 0.000 0.823 226 V CB 0.895 32.785 31.823 0.112 0.000 1.009 226 V HN 1.230 nan 8.190 nan 0.000 0.436 230 D N 5.104 125.419 120.400 -0.142 0.000 2.346 230 D HA 0.032 4.672 4.640 -0.000 0.000 0.260 230 D C 1.364 177.626 176.300 -0.064 0.000 1.252 230 D CA 0.335 54.275 54.000 -0.100 0.000 0.895 230 D CB 1.375 42.139 40.800 -0.060 0.000 1.097 230 D HN 0.747 nan 8.370 nan 0.000 0.489 231 T N 0.619 115.133 114.554 -0.066 0.000 3.025 231 T HA -0.041 4.309 4.350 -0.000 0.000 0.270 231 T C 1.648 176.385 174.700 0.061 0.000 1.126 231 T CA 0.845 62.959 62.100 0.024 0.000 1.105 231 T CB 0.019 68.901 68.868 0.024 0.000 0.884 231 T HN 0.371 nan 8.240 nan 0.000 0.522 232 G N 1.080 109.892 108.800 0.020 0.000 2.603 232 G HA2 0.072 4.032 3.960 -0.000 0.000 0.214 232 G HA3 0.072 4.032 3.960 -0.000 0.000 0.214 232 G C 1.621 176.531 174.900 0.018 0.000 1.140 232 G CA 0.954 46.066 45.100 0.019 0.000 0.800 232 G HN 0.666 nan 8.290 nan 0.000 0.533 233 T N -3.532 111.031 114.554 0.014 0.000 2.955 233 T HA 0.112 4.461 4.350 -0.000 0.000 0.251 233 T C 0.943 175.658 174.700 0.024 0.000 1.002 233 T CA 0.518 62.625 62.100 0.012 0.000 0.970 233 T CB 0.109 68.977 68.868 -0.001 0.000 1.091 233 T HN 0.074 nan 8.240 nan 0.000 0.495 234 N N 1.554 120.279 118.700 0.042 0.000 2.780 234 N HA -0.090 4.650 4.740 -0.000 0.000 0.247 234 N C -1.299 174.232 175.510 0.034 0.000 1.076 234 N CA 0.681 53.777 53.050 0.075 0.000 0.688 234 N CB -0.790 37.754 38.487 0.094 0.000 0.957 234 N HN 0.455 nan 8.380 nan 0.000 0.551 235 K N 0.310 120.712 120.400 0.002 0.000 2.468 235 K HA 0.469 4.789 4.320 -0.000 0.000 0.252 235 K C 0.521 177.100 176.600 -0.034 0.000 0.932 235 K CA -0.596 55.684 56.287 -0.011 0.000 0.794 235 K CB 1.835 34.328 32.500 -0.011 0.000 1.241 235 K HN 0.107 nan 8.250 nan 0.000 0.428 236 I N 2.012 122.562 120.570 -0.033 0.000 2.710 236 I HA -0.088 4.082 4.170 -0.000 0.000 0.286 236 I C 1.387 177.478 176.117 -0.044 0.000 1.181 236 I CA 0.762 62.034 61.300 -0.047 0.000 1.430 236 I CB 0.627 38.607 38.000 -0.033 0.000 1.367 236 I HN 0.729 nan 8.210 nan 0.000 0.577 237 T N 1.526 116.047 114.554 -0.056 0.000 3.004 237 T HA 0.620 4.969 4.350 -0.000 0.000 0.266 237 T C 0.068 174.749 174.700 -0.032 0.000 0.986 237 T CA -0.021 62.053 62.100 -0.043 0.000 0.902 237 T CB 0.555 69.392 68.868 -0.053 0.000 1.118 237 T HN 0.728 nan 8.240 nan 0.000 0.522 238 A N 0.971 123.772 122.820 -0.032 0.000 2.590 238 A HA 0.747 5.067 4.320 -0.000 0.000 0.294 238 A C -1.600 175.986 177.584 0.003 0.000 1.046 238 A CA -1.186 50.846 52.037 -0.009 0.000 0.684 238 A CB 1.195 20.194 19.000 -0.001 0.000 1.279 238 A HN 0.263 nan 8.150 nan 0.000 0.415 239 R N 0.502 121.014 120.500 0.021 0.000 2.628 239 R HA 0.690 5.029 4.340 -0.000 0.000 0.288 239 R C -1.495 174.834 176.300 0.049 0.000 0.980 239 R CA -0.551 55.571 56.100 0.036 0.000 0.891 239 R CB 2.140 32.460 30.300 0.034 0.000 1.188 239 R HN 0.615 nan 8.270 nan 0.000 0.450 240 I N 3.480 124.086 120.570 0.060 0.000 2.410 240 I HA 0.313 4.483 4.170 -0.000 0.000 0.286 240 I C -2.337 173.813 176.117 0.054 0.000 1.009 240 I CA -2.581 58.753 61.300 0.056 0.000 1.111 240 I CB 2.261 40.297 38.000 0.060 0.000 1.262 240 I HN 0.204 nan 8.210 nan 0.000 0.443 241 P HA 0.074 nan 4.420 nan 0.000 0.267 241 P C -0.658 176.658 177.300 0.026 0.000 1.205 241 P CA 0.005 63.132 63.100 0.045 0.000 0.765 241 P CB 0.690 32.413 31.700 0.038 0.000 0.828 242 V N 0.524 120.452 119.914 0.024 0.000 3.167 242 V HA 0.881 5.001 4.120 -0.000 0.000 0.310 242 V C 0.421 176.517 176.094 0.003 0.000 1.207 242 V CA -0.975 61.333 62.300 0.012 0.000 1.059 242 V CB 1.175 33.011 31.823 0.020 0.000 1.079 242 V HN 0.603 nan 8.190 nan 0.000 0.446 243 G N 0.582 109.382 108.800 0.000 0.000 2.716 243 G HA2 0.476 4.436 3.960 -0.000 0.000 0.251 243 G HA3 0.476 4.436 3.960 -0.000 0.000 0.251 243 G C -2.322 172.572 174.900 -0.010 0.000 1.224 243 G CA -0.866 44.234 45.100 0.001 0.000 0.891 243 G HN 0.833 nan 8.290 nan 0.000 0.561 244 P HA 0.086 nan 4.420 nan 0.000 0.269 244 P C -0.183 177.082 177.300 -0.059 0.000 1.215 244 P CA 0.226 63.258 63.100 -0.113 0.000 0.780 244 P CB 0.541 32.071 31.700 -0.283 0.000 0.898 245 D N 0.020 120.374 120.400 -0.078 0.000 2.740 245 D HA -0.123 4.517 4.640 -0.000 0.000 0.231 245 D C -1.880 174.437 176.300 0.029 0.000 1.194 245 D CA 0.271 54.269 54.000 -0.004 0.000 0.673 245 D CB -0.867 39.931 40.800 -0.004 0.000 0.995 245 D HN 0.310 nan 8.370 nan 0.000 0.411 246 P HA 0.299 nan 4.420 nan 0.000 0.275 246 P C -0.204 177.145 177.300 0.081 0.000 1.227 246 P CA -0.080 63.048 63.100 0.046 0.000 0.781 246 P CB 1.896 33.630 31.700 0.057 0.000 0.906 247 A N 3.838 126.699 122.820 0.069 0.000 1.936 247 A HA 0.601 4.921 4.320 -0.000 0.000 0.197 247 A C 1.076 178.745 177.584 0.143 0.000 2.189 247 A CA 0.541 52.650 52.037 0.120 0.000 1.491 247 A CB -0.638 18.447 19.000 0.142 0.000 1.021 247 A HN 0.561 nan 8.150 nan 0.000 0.537 248 G N -0.560 108.328 108.800 0.147 0.000 2.667 248 G HA2 0.464 4.423 3.960 -0.000 0.000 0.250 248 G HA3 0.464 4.423 3.960 -0.000 0.000 0.250 248 G C -0.514 174.530 174.900 0.240 0.000 1.212 248 G CA 0.374 45.592 45.100 0.196 0.000 0.874 248 G HN 1.055 nan 8.290 nan 0.000 0.561 249 I N -0.779 119.994 120.570 0.339 0.000 2.771 249 I HA 0.589 4.759 4.170 -0.000 0.000 0.291 249 I C -1.044 175.225 176.117 0.254 0.000 1.527 249 I CA -0.738 60.752 61.300 0.317 0.000 1.024 249 I CB 1.794 39.913 38.000 0.198 0.000 1.388 249 I HN 0.895 nan 8.210 nan 0.000 0.447 250 A N 6.035 128.929 122.820 0.123 0.000 2.549 250 A HA 0.789 5.109 4.320 -0.000 0.000 0.297 250 A C -1.864 175.626 177.584 -0.155 0.000 1.061 250 A CA -0.511 51.414 52.037 -0.187 0.000 0.690 250 A CB 1.934 20.405 19.000 -0.882 0.000 1.287 250 A HN 0.410 nan 8.150 nan 0.000 0.402 251 V N 1.865 121.680 119.914 -0.165 0.000 2.472 251 V HA 0.552 4.672 4.120 -0.000 0.000 0.290 251 V C 0.926 176.929 176.094 -0.152 0.000 1.037 251 V CA -0.017 62.192 62.300 -0.152 0.000 0.908 251 V CB 1.703 33.459 31.823 -0.111 0.000 0.985 251 V HN 1.127 nan 8.190 nan 0.000 0.454 252 T N 3.101 117.583 114.554 -0.121 0.000 2.900 252 T HA 0.158 4.508 4.350 -0.000 0.000 0.307 252 T C -1.212 173.439 174.700 -0.082 0.000 1.065 252 T CA -1.139 60.888 62.100 -0.122 0.000 1.105 252 T CB 0.900 69.716 68.868 -0.086 0.000 0.979 252 T HN 0.584 nan 8.240 nan 0.000 0.544 253 P HA -0.153 nan 4.420 nan 0.000 0.218 253 P C 0.781 178.066 177.300 -0.026 0.000 1.146 253 P CA 1.398 64.473 63.100 -0.042 0.000 0.813 253 P CB -0.065 31.616 31.700 -0.031 0.000 0.778 254 D N -1.560 118.823 120.400 -0.029 0.000 2.340 254 D HA 0.085 4.725 4.640 -0.000 0.000 0.220 254 D C 1.500 177.793 176.300 -0.011 0.000 1.039 254 D CA 0.579 54.569 54.000 -0.017 0.000 0.866 254 D CB -1.109 39.680 40.800 -0.018 0.000 0.913 254 D HN 0.239 nan 8.370 nan 0.000 0.523 255 G N 0.630 109.419 108.800 -0.018 0.000 2.175 255 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.265 255 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.265 255 G C 1.060 175.952 174.900 -0.014 0.000 0.979 255 G CA 0.732 45.826 45.100 -0.010 0.000 0.663 255 G HN 0.478 nan 8.290 nan 0.000 0.533 256 K N -0.480 119.909 120.400 -0.019 0.000 2.211 256 K HA 0.116 4.436 4.320 -0.000 0.000 0.201 256 K C 1.101 177.685 176.600 -0.026 0.000 1.052 256 K CA 0.778 57.057 56.287 -0.014 0.000 0.973 256 K CB 0.202 32.697 32.500 -0.008 0.000 0.766 256 K HN 0.369 nan 8.250 nan 0.000 0.466 257 K N 0.797 121.184 120.400 -0.021 0.000 2.328 257 K HA 0.446 4.766 4.320 -0.000 0.000 0.246 257 K C -1.207 175.378 176.600 -0.025 0.000 0.955 257 K CA -0.745 55.543 56.287 0.002 0.000 0.817 257 K CB 3.029 35.603 32.500 0.124 0.000 1.208 257 K HN -0.277 nan 8.250 nan 0.000 0.432 258 V N 2.660 122.540 119.914 -0.056 0.000 2.487 258 V HA 0.311 4.431 4.120 -0.000 0.000 0.298 258 V C -1.441 174.686 176.094 0.055 0.000 1.028 258 V CA -0.829 61.415 62.300 -0.093 0.000 0.860 258 V CB 0.945 32.572 31.823 -0.327 0.000 0.991 258 V HN 0.582 nan 8.190 nan 0.000 0.427 259 Y N 3.432 123.719 120.300 -0.021 0.000 2.330 259 Y HA 0.678 5.228 4.550 0.000 0.000 0.336 259 Y C 0.046 176.045 175.900 0.165 0.000 1.036 259 Y CA -0.756 57.405 58.100 0.101 0.000 1.125 259 Y CB 2.079 40.678 38.460 0.232 0.000 1.194 259 Y HN 0.347 nan 8.280 nan 0.000 0.469 260 V N 3.401 123.407 119.914 0.155 0.000 2.525 260 V HA 0.664 4.784 4.120 -0.000 0.000 0.299 260 V C -0.431 175.693 176.094 0.051 0.000 1.034 260 V CA -1.208 61.163 62.300 0.120 0.000 0.863 260 V CB 1.590 33.449 31.823 0.059 0.000 0.999 260 V HN 0.870 nan 8.190 nan 0.000 0.423 261 A N 6.190 129.024 122.820 0.024 0.000 2.320 261 A HA 0.766 5.086 4.320 -0.000 0.000 0.287 261 A C -0.414 177.114 177.584 -0.093 0.000 1.181 261 A CA -0.272 51.724 52.037 -0.068 0.000 0.831 261 A CB 0.167 19.078 19.000 -0.148 0.000 1.102 261 A HN 0.836 nan 8.150 nan 0.000 0.513 262 L N 3.987 125.154 121.223 -0.094 0.000 2.321 262 L HA 0.154 4.494 4.340 -0.000 0.000 0.272 262 L C 1.607 178.401 176.870 -0.127 0.000 1.050 262 L CA -0.238 54.557 54.840 -0.075 0.000 0.893 262 L CB 0.964 43.011 42.059 -0.020 0.000 1.272 262 L HN 1.009 nan 8.230 nan 0.000 0.435 263 S N 2.383 117.928 115.700 -0.258 0.000 2.387 263 S HA -0.202 4.268 4.470 -0.000 0.000 0.230 263 S C 0.832 175.356 174.600 -0.127 0.000 1.035 263 S CA 0.729 58.709 58.200 -0.366 0.000 1.014 263 S CB -0.270 62.471 63.200 -0.763 0.000 0.836 263 S HN 0.412 nan 8.310 nan 0.000 0.466 267 T N -3.266 111.245 114.554 -0.072 0.000 2.812 267 T HA 0.795 5.145 4.350 -0.000 0.000 0.294 267 T C -0.982 173.682 174.700 -0.059 0.000 1.159 267 T CA -0.680 61.386 62.100 -0.058 0.000 1.008 267 T CB 2.329 71.169 68.868 -0.048 0.000 1.289 267 T HN -0.208 nan 8.240 nan 0.000 0.514 268 V N 1.192 121.074 119.914 -0.053 0.000 2.638 268 V HA 0.653 4.772 4.120 -0.000 0.000 0.306 268 V C -0.218 175.812 176.094 -0.106 0.000 1.052 268 V CA -0.723 61.547 62.300 -0.051 0.000 0.885 268 V CB 2.000 33.830 31.823 0.011 0.000 0.999 268 V HN 1.082 nan 8.190 nan 0.000 0.424 269 S N 2.963 118.592 115.700 -0.118 0.000 2.489 269 S HA 0.701 5.171 4.470 -0.000 0.000 0.291 269 S C -0.422 174.008 174.600 -0.284 0.000 1.151 269 S CA -0.473 57.633 58.200 -0.157 0.000 1.082 269 S CB 1.721 64.868 63.200 -0.088 0.000 1.019 269 S HN 0.482 nan 8.310 nan 0.000 0.492 270 V N 4.910 124.624 119.914 -0.333 0.000 2.417 270 V HA 0.508 4.628 4.120 -0.000 0.000 0.291 270 V C -0.393 175.569 176.094 -0.222 0.000 1.024 270 V CA -0.514 61.521 62.300 -0.442 0.000 0.861 270 V CB 1.180 32.688 31.823 -0.525 0.000 0.985 270 V HN 0.748 nan 8.190 nan 0.000 0.436 271 I N 3.382 123.848 120.570 -0.173 0.000 2.474 271 I HA 0.374 4.544 4.170 -0.000 0.000 0.294 271 I C -0.327 175.740 176.117 -0.083 0.000 1.005 271 I CA -0.521 60.718 61.300 -0.102 0.000 1.113 271 I CB 1.966 39.920 38.000 -0.078 0.000 1.289 271 I HN 0.526 nan 8.210 nan 0.000 0.436 272 D N 4.452 124.821 120.400 -0.052 0.000 2.336 272 D HA 0.035 4.675 4.640 -0.000 0.000 0.249 272 D C 1.274 177.565 176.300 -0.015 0.000 1.213 272 D CA -0.077 53.904 54.000 -0.031 0.000 0.870 272 D CB 1.402 42.191 40.800 -0.020 0.000 1.076 272 D HN 0.712 nan 8.370 nan 0.000 0.483 273 T N 1.201 115.744 114.554 -0.019 0.000 3.007 273 T HA -0.026 4.324 4.350 -0.000 0.000 0.270 273 T C 1.664 176.399 174.700 0.059 0.000 1.107 273 T CA 0.800 62.919 62.100 0.031 0.000 1.118 273 T CB 0.110 68.992 68.868 0.023 0.000 0.889 273 T HN 0.302 nan 8.240 nan 0.000 0.506 274 A N 2.118 124.956 122.820 0.030 0.000 1.898 274 A HA 0.090 4.409 4.320 -0.000 0.000 0.214 274 A C 2.535 180.134 177.584 0.026 0.000 1.183 274 A CA 1.599 53.653 52.037 0.027 0.000 0.622 274 A CB -0.805 18.203 19.000 0.015 0.000 0.824 274 A HN 0.681 nan 8.150 nan 0.000 0.444 275 T N -4.837 109.729 114.554 0.021 0.000 3.044 275 T HA 0.146 4.496 4.350 -0.000 0.000 0.260 275 T C 0.367 175.081 174.700 0.024 0.000 1.019 275 T CA 0.268 62.378 62.100 0.018 0.000 0.921 275 T CB -0.288 68.585 68.868 0.008 0.000 1.053 275 T HN 0.340 nan 8.240 nan 0.000 0.533 276 N N 2.621 121.343 118.700 0.037 0.000 2.716 276 N HA -0.134 4.606 4.740 -0.000 0.000 0.250 276 N C -0.168 175.358 175.510 0.028 0.000 1.033 276 N CA 1.640 54.719 53.050 0.049 0.000 0.727 276 N CB -1.492 37.031 38.487 0.060 0.000 0.950 276 N HN 0.953 nan 8.380 nan 0.000 0.541 277 T N -2.782 111.777 114.554 0.010 0.000 2.908 277 T HA 0.693 5.043 4.350 -0.000 0.000 0.290 277 T C 0.432 175.121 174.700 -0.018 0.000 1.034 277 T CA -0.867 61.232 62.100 -0.001 0.000 1.010 277 T CB 2.013 70.879 68.868 -0.004 0.000 1.068 277 T HN 0.129 nan 8.240 nan 0.000 0.481 278 I N 3.247 123.803 120.570 -0.023 0.000 2.379 278 I HA 0.174 4.344 4.170 -0.000 0.000 0.290 278 I C 1.630 177.719 176.117 -0.048 0.000 1.063 278 I CA -0.410 60.864 61.300 -0.044 0.000 1.351 278 I CB 1.273 39.249 38.000 -0.040 0.000 1.410 278 I HN 1.014 nan 8.210 nan 0.000 0.505 279 T N 2.005 116.520 114.554 -0.064 0.000 3.044 279 T HA 0.531 4.881 4.350 -0.000 0.000 0.250 279 T C 0.390 175.049 174.700 -0.068 0.000 1.081 279 T CA -0.018 62.047 62.100 -0.057 0.000 1.040 279 T CB 0.434 69.270 68.868 -0.053 0.000 0.962 279 T HN 0.677 nan 8.240 nan 0.000 0.506 280 A N -0.147 122.619 122.820 -0.091 0.000 2.583 280 A HA 0.667 4.987 4.320 -0.000 0.000 0.292 280 A C -0.689 176.826 177.584 -0.114 0.000 1.045 280 A CA -0.755 51.226 52.037 -0.094 0.000 0.672 280 A CB 1.050 19.991 19.000 -0.098 0.000 1.283 280 A HN 0.175 nan 8.150 nan 0.000 0.419 284 V N -0.109 119.778 119.914 -0.046 0.000 5.502 284 V HA 1.041 5.161 4.120 -0.000 0.000 0.283 284 V C 0.992 177.058 176.094 -0.048 0.000 1.523 284 V CA -0.131 62.143 62.300 -0.044 0.000 0.749 284 V CB 0.124 31.922 31.823 -0.043 0.000 1.393 284 V HN 1.868 nan 8.190 nan 0.000 0.425 285 G N -0.379 108.393 108.800 -0.047 0.000 2.563 285 G HA2 0.450 4.410 3.960 -0.000 0.000 0.283 285 G HA3 0.450 4.410 3.960 -0.000 0.000 0.283 285 G C -0.562 174.305 174.900 -0.054 0.000 1.309 285 G CA -0.921 44.152 45.100 -0.044 0.000 1.022 285 G HN 0.747 nan 8.290 nan 0.000 0.501 286 K N 1.084 121.455 120.400 -0.049 0.000 2.276 286 K HA 0.143 4.463 4.320 -0.000 0.000 0.283 286 K C -0.100 176.470 176.600 -0.050 0.000 1.044 286 K CA -0.278 55.974 56.287 -0.059 0.000 0.944 286 K CB 0.518 32.988 32.500 -0.050 0.000 1.012 286 K HN 0.568 nan 8.250 nan 0.000 0.472 287 N N 2.051 120.704 118.700 -0.078 0.000 2.708 287 N HA -0.114 4.626 4.740 -0.000 0.000 0.255 287 N C -2.556 172.894 175.510 -0.101 0.000 1.046 287 N CA 0.092 53.095 53.050 -0.078 0.000 0.715 287 N CB -0.714 37.798 38.487 0.043 0.000 0.895 287 N HN 0.470 nan 8.380 nan 0.000 0.545 288 P HA 0.174 nan 4.420 nan 0.000 0.275 288 P C -0.985 176.094 177.300 -0.369 0.000 1.227 288 P CA 0.464 63.462 63.100 -0.170 0.000 0.781 288 P CB 0.440 32.052 31.700 -0.146 0.000 0.906 289 Y N 0.697 120.945 120.300 -0.088 0.000 2.457 289 Y HA 0.566 5.116 4.550 -0.000 0.000 0.343 289 Y C -0.137 175.663 175.900 -0.167 0.000 0.994 289 Y CA -0.769 57.278 58.100 -0.089 0.000 1.031 289 Y CB 2.390 40.816 38.460 -0.057 0.000 1.246 289 Y HN 0.468 nan 8.280 nan 0.000 0.449 290 A N 2.297 125.065 122.820 -0.087 0.000 2.679 290 A HA 0.690 5.010 4.320 -0.000 0.000 0.288 290 A C -1.181 176.379 177.584 -0.040 0.000 1.160 290 A CA -0.514 51.283 52.037 -0.400 0.000 0.763 290 A CB 0.553 18.768 19.000 -1.308 0.000 1.270 290 A HN 0.497 nan 8.150 nan 0.000 0.417 291 S N 0.617 116.417 115.700 0.167 0.000 2.593 291 S HA 0.874 5.344 4.470 -0.000 0.000 0.297 291 S C 0.894 175.711 174.600 0.361 0.000 1.112 291 S CA 0.435 58.802 58.200 0.278 0.000 1.043 291 S CB 1.534 64.838 63.200 0.174 0.000 1.054 291 S HN 2.381 nan 8.310 nan 0.000 0.516 292 G N 2.036 111.007 108.800 0.285 0.000 2.552 292 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.265 292 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.265 292 G C -0.797 174.194 174.900 0.153 0.000 1.234 292 G CA -0.413 44.805 45.100 0.197 0.000 0.944 292 G HN 0.621 nan 8.290 nan 0.000 0.568 293 Q N 1.188 121.045 119.800 0.096 0.000 2.815 293 Q HA 0.297 4.637 4.340 -0.000 0.000 0.235 293 Q C 0.912 176.948 176.000 0.061 0.000 1.354 293 Q CA 0.456 56.263 55.803 0.008 0.000 0.953 293 Q CB -0.724 28.030 28.738 0.027 0.000 1.613 293 Q HN 0.704 nan 8.270 nan 0.000 0.572 294 F N -1.162 118.831 119.950 0.071 0.000 2.664 294 F HA 0.436 4.963 4.527 -0.000 0.000 0.303 294 F C 0.089 175.973 175.800 0.139 0.000 1.092 294 F CA -0.573 57.488 58.000 0.102 0.000 1.305 294 F CB 0.322 39.398 39.000 0.127 0.000 1.054 294 F HN 0.010 nan 8.300 nan 0.000 0.565 295 I N 0.914 121.367 120.570 -0.195 0.000 2.608 295 I HA 0.815 4.985 4.170 -0.000 0.000 0.295 295 I C 0.152 176.250 176.117 -0.031 0.000 1.049 295 I CA -0.977 60.256 61.300 -0.113 0.000 1.063 295 I CB 1.889 39.673 38.000 -0.361 0.000 1.248 295 I HN 0.216 nan 8.210 nan 0.000 0.424 296 G N 2.552 111.394 108.800 0.070 0.000 2.489 296 G HA2 0.350 4.310 3.960 -0.000 0.000 0.291 296 G HA3 0.350 4.310 3.960 -0.000 0.000 0.291 296 G C -1.629 173.352 174.900 0.135 0.000 1.487 296 G CA -0.557 44.584 45.100 0.068 0.000 0.795 296 G HN 0.443 nan 8.290 nan 0.000 0.513 297 S N -0.246 115.512 115.700 0.096 0.000 2.565 297 S HA 0.609 5.079 4.470 -0.000 0.000 0.274 297 S C 0.495 175.181 174.600 0.143 0.000 1.309 297 S CA -0.407 57.868 58.200 0.125 0.000 1.043 297 S CB 0.747 63.990 63.200 0.071 0.000 0.939 297 S HN 0.861 nan 8.310 nan 0.000 0.504 298 I N 0.536 121.221 120.570 0.190 0.000 2.441 298 I HA 0.493 4.663 4.170 -0.000 0.000 0.295 298 I C -1.892 174.280 176.117 0.092 0.000 0.994 298 I CA -2.620 58.758 61.300 0.130 0.000 1.144 298 I CB 1.923 40.000 38.000 0.128 0.000 1.314 298 I HN 0.361 nan 8.210 nan 0.000 0.445 299 P HA -0.045 nan 4.420 nan 0.000 0.219 299 P C 0.329 177.644 177.300 0.025 0.000 1.150 299 P CA 0.896 64.017 63.100 0.035 0.000 0.814 299 P CB 0.302 32.015 31.700 0.021 0.000 0.787 300 V N 1.097 121.016 119.914 0.009 0.000 2.443 300 V HA 0.267 4.387 4.120 -0.000 0.000 0.293 300 V C -0.076 175.992 176.094 -0.044 0.000 1.021 300 V CA -0.750 61.540 62.300 -0.015 0.000 0.848 300 V CB 1.805 33.607 31.823 -0.035 0.000 0.998 300 V HN 0.004 nan 8.190 nan 0.000 0.424 301 Q N 6.122 125.900 119.800 -0.037 0.000 2.274 301 Q HA 0.414 4.754 4.340 -0.000 0.000 0.256 301 Q C -2.364 173.506 176.000 -0.217 0.000 0.927 301 Q CA -1.749 53.998 55.803 -0.093 0.000 0.939 301 Q CB 1.863 30.631 28.738 0.049 0.000 1.201 301 Q HN 0.486 nan 8.270 nan 0.000 0.426 302 P HA -0.041 nan 4.420 nan 0.000 0.269 302 P C -0.862 176.096 177.300 -0.572 0.000 1.215 302 P CA -0.136 62.653 63.100 -0.518 0.000 0.780 302 P CB 0.492 31.765 31.700 -0.712 0.000 0.898 303 V N 3.846 123.544 119.914 -0.359 0.000 2.364 303 V HA 0.035 4.155 4.120 -0.000 0.000 0.252 303 V C 0.160 176.136 176.094 -0.198 0.000 1.075 303 V CA 0.137 62.308 62.300 -0.215 0.000 1.033 303 V CB -1.905 29.849 31.823 -0.114 0.000 1.116 303 V HN 0.377 nan 8.190 nan 0.000 0.488 304 Y N 6.812 127.095 120.300 -0.029 0.000 2.304 304 Y HA 0.340 4.890 4.550 -0.000 0.000 0.327 304 Y C -1.392 174.486 175.900 -0.037 0.000 1.209 304 Y CA -2.307 55.771 58.100 -0.036 0.000 1.299 304 Y CB 0.971 39.423 38.460 -0.013 0.000 1.249 304 Y HN 0.415 nan 8.280 nan 0.000 0.519 305 P HA 0.024 nan 4.420 nan 0.000 0.274 305 P C -0.897 176.422 177.300 0.033 0.000 1.231 305 P CA -0.364 62.753 63.100 0.028 0.000 0.790 305 P CB 1.601 33.274 31.700 -0.045 0.000 0.951 306 S N 0.769 116.482 115.700 0.022 0.000 2.640 306 S HA 0.591 5.060 4.470 -0.000 0.000 0.320 306 S C -0.381 174.231 174.600 0.021 0.000 1.097 306 S CA -0.674 57.539 58.200 0.022 0.000 1.092 306 S CB -0.038 63.184 63.200 0.036 0.000 0.988 306 S HN 0.591 nan 8.310 nan 0.000 0.470 307 A N 3.845 126.667 122.820 0.003 0.000 2.409 307 A HA 0.644 4.964 4.320 -0.000 0.000 0.262 307 A C -0.140 177.473 177.584 0.048 0.000 1.113 307 A CA -0.074 51.975 52.037 0.020 0.000 0.790 307 A CB 0.251 19.241 19.000 -0.016 0.000 1.046 307 A HN 0.841 nan 8.150 nan 0.000 0.496 308 D N 0.317 120.785 120.400 0.114 0.000 2.722 308 D HA 0.570 5.210 4.640 -0.000 0.000 0.231 308 D C -1.058 175.393 176.300 0.251 0.000 1.218 308 D CA -0.146 53.905 54.000 0.085 0.000 0.753 308 D CB 0.931 41.758 40.800 0.046 0.000 1.471 308 D HN 0.712 nan 8.370 nan 0.000 0.455 309 F N -0.099 119.928 119.950 0.128 0.000 2.858 309 F HA 0.737 5.264 4.527 -0.000 0.000 0.319 309 F C -1.801 174.143 175.800 0.240 0.000 1.166 309 F CA -1.052 57.090 58.000 0.236 0.000 0.899 309 F CB 0.866 40.092 39.000 0.376 0.000 1.332 309 F HN 0.387 nan 8.300 nan 0.000 0.461 310 K N 0.509 121.246 120.400 0.561 0.000 2.533 310 K HA 0.835 5.155 4.320 -0.000 0.000 0.272 310 K C -1.565 175.298 176.600 0.439 0.000 0.985 310 K CA -0.480 56.015 56.287 0.347 0.000 0.876 310 K CB 2.223 34.814 32.500 0.152 0.000 1.452 310 K HN 1.075 nan 8.250 nan 0.000 0.439 311 S N -0.409 115.436 115.700 0.241 0.000 2.806 311 S HA 0.306 4.776 4.470 -0.000 0.000 0.315 311 S C 0.219 174.784 174.600 -0.058 0.000 1.127 311 S CA -0.618 57.592 58.200 0.017 0.000 0.918 311 S CB 0.931 64.070 63.200 -0.101 0.000 1.240 311 S HN 0.828 nan 8.310 nan 0.000 0.552 312 N N -0.164 118.443 118.700 -0.155 0.000 2.336 312 N HA 0.095 4.835 4.740 -0.000 0.000 0.189 312 N C -0.077 175.350 175.510 -0.138 0.000 1.113 312 N CA -0.124 52.851 53.050 -0.125 0.000 0.858 312 N CB -0.597 37.807 38.487 -0.138 0.000 0.970 312 N HN 0.677 nan 8.380 nan 0.000 0.471 313 I N 2.062 122.545 120.570 -0.145 0.000 2.494 313 I HA -0.033 4.137 4.170 -0.000 0.000 0.289 313 I C 1.306 177.328 176.117 -0.157 0.000 1.106 313 I CA 0.012 61.212 61.300 -0.166 0.000 1.369 313 I CB 0.745 38.673 38.000 -0.119 0.000 1.410 313 I HN 0.198 nan 8.210 nan 0.000 0.523 314 T N -0.534 113.892 114.554 -0.213 0.000 3.046 314 T HA -0.020 4.330 4.350 -0.000 0.000 0.242 314 T C 1.619 176.174 174.700 -0.242 0.000 1.018 314 T CA 0.298 62.288 62.100 -0.182 0.000 1.131 314 T CB 0.005 68.783 68.868 -0.151 0.000 0.904 314 T HN 0.453 nan 8.240 nan 0.000 0.459 315 S N 1.122 116.560 115.700 -0.437 0.000 2.474 315 S HA 0.313 4.783 4.470 -0.000 0.000 0.235 315 S C 1.981 176.325 174.600 -0.425 0.000 0.997 315 S CA 0.832 58.677 58.200 -0.592 0.000 0.949 315 S CB -0.602 61.734 63.200 -1.439 0.000 0.766 315 S HN 1.076 nan 8.310 nan 0.000 0.517 316 G N 0.475 109.082 108.800 -0.322 0.000 2.194 316 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.236 316 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.236 316 G C -0.061 174.819 174.900 -0.034 0.000 0.987 316 G CA 0.243 45.280 45.100 -0.106 0.000 0.635 316 G HN 0.692 nan 8.290 nan 0.000 0.520 317 Y N -1.188 119.053 120.300 -0.099 0.000 2.705 317 Y HA 0.877 5.427 4.550 -0.000 0.000 0.332 317 Y C -0.514 175.254 175.900 -0.220 0.000 1.157 317 Y CA -2.084 55.940 58.100 -0.126 0.000 1.091 317 Y CB 1.295 39.680 38.460 -0.126 0.000 1.301 317 Y HN 0.547 nan 8.280 nan 0.000 0.488 318 I N 0.970 121.572 120.570 0.052 0.000 2.841 318 I HA 0.452 4.622 4.170 -0.000 0.000 0.298 318 I C -1.645 174.459 176.117 -0.022 0.000 1.304 318 I CA -1.005 60.211 61.300 -0.139 0.000 1.019 318 I CB 1.749 39.690 38.000 -0.098 0.000 1.282 318 I HN 0.687 nan 8.210 nan 0.000 0.432 319 F N 5.438 125.481 119.950 0.155 0.000 2.406 319 F HA 0.279 4.806 4.527 -0.000 0.000 0.327 319 F C 0.304 176.149 175.800 0.074 0.000 1.153 319 F CA -0.676 57.388 58.000 0.107 0.000 1.218 319 F CB 0.733 39.784 39.000 0.086 0.000 1.215 319 F HN 0.306 nan 8.300 nan 0.000 0.570 320 L N 1.722 123.117 121.223 0.287 0.000 2.483 320 L HA 0.058 4.398 4.340 -0.000 0.000 0.276 320 L C 0.849 177.797 176.870 0.130 0.000 1.213 320 L CA 0.573 55.517 54.840 0.174 0.000 0.843 320 L CB 0.500 42.636 42.059 0.129 0.000 1.107 320 L HN 0.762 nan 8.230 nan 0.000 0.487 321 S N 1.009 116.760 115.700 0.086 0.000 3.445 321 S HA -0.246 4.224 4.470 -0.000 0.000 0.319 321 S C 0.161 174.781 174.600 0.033 0.000 1.209 321 S CA 1.304 59.523 58.200 0.032 0.000 0.934 321 S CB -1.510 61.701 63.200 0.019 0.000 0.999 321 S HN 0.811 nan 8.310 nan 0.000 0.582 322 E N 1.394 121.633 120.200 0.066 0.000 2.114 322 E HA 0.363 4.713 4.350 -0.000 0.000 0.266 322 E C -2.697 173.902 176.600 -0.001 0.000 0.896 322 E CA -2.580 53.853 56.400 0.055 0.000 0.750 322 E CB 0.914 30.691 29.700 0.128 0.000 1.121 322 E HN 0.038 nan 8.360 nan 0.000 0.413 323 P HA -0.109 nan 4.420 nan 0.000 0.263 323 P C -1.096 176.134 177.300 -0.118 0.000 1.175 323 P CA 0.119 63.161 63.100 -0.096 0.000 0.761 323 P CB 0.547 32.189 31.700 -0.096 0.000 0.794 324 V N 5.022 124.838 119.914 -0.164 0.000 2.384 324 V HA 0.215 4.335 4.120 -0.000 0.000 0.287 324 V C 0.131 175.969 176.094 -0.426 0.000 1.020 324 V CA -0.335 61.781 62.300 -0.306 0.000 0.850 324 V CB 1.213 32.848 31.823 -0.314 0.000 0.987 324 V HN 0.454 nan 8.190 nan 0.000 0.436 325 Q N 4.886 124.439 119.800 -0.412 0.000 2.372 325 Q HA 0.566 4.906 4.340 -0.000 0.000 0.259 325 Q C -1.267 174.521 176.000 -0.354 0.000 0.993 325 Q CA -0.197 55.425 55.803 -0.302 0.000 0.854 325 Q CB 1.298 29.937 28.738 -0.165 0.000 1.231 325 Q HN 0.625 nan 8.270 nan 0.000 0.462 326 F N 1.027 120.872 119.950 -0.175 0.000 2.404 326 F HA 0.345 4.872 4.527 -0.000 0.000 0.345 326 F C 0.769 176.519 175.800 -0.083 0.000 1.110 326 F CA -0.488 57.415 58.000 -0.163 0.000 1.130 326 F CB 1.728 40.331 39.000 -0.660 0.000 1.129 326 F HN 0.274 nan 8.300 nan 0.000 0.500 327 T N 2.578 117.309 114.554 0.295 0.000 2.786 327 T HA 0.181 4.531 4.350 -0.000 0.000 0.283 327 T C -0.961 173.977 174.700 0.397 0.000 0.992 327 T CA -0.742 61.503 62.100 0.243 0.000 0.954 327 T CB 0.419 69.378 68.868 0.153 0.000 0.934 327 T HN 0.605 nan 8.240 nan 0.000 0.440 328 D N 3.730 124.345 120.400 0.359 0.000 2.390 328 D HA 0.183 4.823 4.640 -0.000 0.000 0.249 328 D C 0.550 177.032 176.300 0.303 0.000 1.144 328 D CA 0.066 54.310 54.000 0.407 0.000 0.880 328 D CB 0.560 41.556 40.800 0.326 0.000 1.182 328 D HN 0.499 nan 8.370 nan 0.000 0.451 329 L N 2.306 123.714 121.223 0.308 0.000 3.122 329 L HA 0.218 4.558 4.340 -0.000 0.000 0.274 329 L C 0.466 177.447 176.870 0.186 0.000 1.222 329 L CA -0.368 54.598 54.840 0.210 0.000 1.028 329 L CB 0.310 42.471 42.059 0.170 0.000 1.386 329 L HN 0.239 nan 8.230 nan 0.000 0.578 330 S N 0.619 116.458 115.700 0.231 0.000 2.589 330 S HA 0.238 4.708 4.470 -0.000 0.000 0.265 330 S C 0.139 174.827 174.600 0.145 0.000 1.342 330 S CA 0.067 58.373 58.200 0.176 0.000 1.005 330 S CB 0.883 64.201 63.200 0.196 0.000 0.909 330 S HN 0.176 nan 8.310 nan 0.000 0.555 331 K N 1.062 121.517 120.400 0.091 0.000 2.345 331 K HA 0.261 4.581 4.320 -0.000 0.000 0.255 331 K C -1.002 175.623 176.600 0.042 0.000 0.934 331 K CA -0.647 55.683 56.287 0.072 0.000 0.801 331 K CB 1.225 33.760 32.500 0.058 0.000 1.137 331 K HN 0.548 nan 8.250 nan 0.000 0.424 332 D N 0.641 121.063 120.400 0.037 0.000 2.723 332 D HA -0.188 4.452 4.640 -0.000 0.000 0.236 332 D C -0.838 175.430 176.300 -0.054 0.000 1.138 332 D CA 1.001 55.002 54.000 0.002 0.000 0.676 332 D CB -0.757 40.043 40.800 0.001 0.000 1.069 332 D HN 0.613 nan 8.370 nan 0.000 0.430 333 A N -0.052 122.718 122.820 -0.083 0.000 2.324 333 A HA 0.693 5.013 4.320 -0.000 0.000 0.330 333 A C 1.183 178.501 177.584 -0.444 0.000 1.165 333 A CA 0.267 52.127 52.037 -0.296 0.000 0.813 333 A CB 1.449 20.212 19.000 -0.395 0.000 1.197 333 A HN 0.177 nan 8.150 nan 0.000 0.484 334 T N -1.672 112.528 114.554 -0.591 0.000 2.975 334 T HA 0.291 4.641 4.350 -0.000 0.000 0.261 334 T C 0.228 174.466 174.700 -0.770 0.000 0.984 334 T CA 0.504 62.294 62.100 -0.516 0.000 0.911 334 T CB -0.143 68.595 68.868 -0.217 0.000 1.127 334 T HN 0.749 nan 8.240 nan 0.000 0.514 335 E N -0.160 119.465 120.200 -0.958 0.000 2.314 335 E HA 0.457 4.807 4.350 -0.000 0.000 0.272 335 E C -1.632 174.518 176.600 -0.751 0.000 0.884 335 E CA -1.058 54.970 56.400 -0.619 0.000 0.753 335 E CB 1.744 31.286 29.700 -0.262 0.000 1.213 335 E HN 0.349 nan 8.360 nan 0.000 0.432 336 W N 2.979 124.262 121.300 -0.029 0.000 2.844 336 W HA 0.475 5.134 4.660 -0.000 0.000 0.340 336 W C -0.533 175.930 176.519 -0.094 0.000 1.093 336 W CA -0.902 56.395 57.345 -0.079 0.000 1.212 336 W CB 2.227 31.699 29.460 0.021 0.000 1.422 336 W HN 0.466 nan 8.180 nan 0.000 0.515 337 K N 2.116 122.500 120.400 -0.026 0.000 2.716 337 K HA 0.278 4.598 4.320 -0.000 0.000 0.249 337 K C -1.748 174.693 176.600 -0.265 0.000 1.004 337 K CA -0.170 56.065 56.287 -0.087 0.000 0.968 337 K CB 0.659 33.092 32.500 -0.113 0.000 1.214 337 K HN 0.315 nan 8.250 nan 0.000 0.476 338 W N 2.577 123.684 121.300 -0.321 0.000 2.390 338 W HA 0.304 4.964 4.660 -0.000 0.000 0.312 338 W C -0.243 175.794 176.519 -0.803 0.000 1.123 338 W CA -0.226 56.745 57.345 -0.623 0.000 1.202 338 W CB 1.375 30.320 29.460 -0.859 0.000 1.251 338 W HN 0.496 nan 8.180 nan 0.000 0.511 339 D N 2.577 122.680 120.400 -0.496 0.000 2.425 339 D HA 0.268 4.908 4.640 -0.000 0.000 0.240 339 D C -0.097 175.955 176.300 -0.413 0.000 1.080 339 D CA -0.538 53.206 54.000 -0.426 0.000 0.836 339 D CB 0.640 41.320 40.800 -0.200 0.000 1.125 339 D HN 0.265 nan 8.370 nan 0.000 0.525 340 F N 2.215 122.073 119.950 -0.154 0.000 2.780 340 F HA 0.216 4.743 4.527 -0.000 0.000 0.299 340 F C 2.195 178.043 175.800 0.080 0.000 1.146 340 F CA 0.242 58.144 58.000 -0.164 0.000 1.428 340 F CB 0.463 39.068 39.000 -0.659 0.000 1.115 340 F HN 0.660 nan 8.300 nan 0.000 0.583 341 G N 1.010 109.932 108.800 0.203 0.000 2.143 341 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.249 341 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.249 341 G C 0.316 175.444 174.900 0.380 0.000 0.981 341 G CA 0.551 45.826 45.100 0.291 0.000 0.665 341 G HN 0.494 nan 8.290 nan 0.000 0.528 342 D N -1.222 119.330 120.400 0.253 0.000 2.563 342 D HA 0.424 5.064 4.640 -0.000 0.000 0.237 342 D C 1.553 177.948 176.300 0.157 0.000 1.282 342 D CA 0.506 54.652 54.000 0.243 0.000 0.816 342 D CB -0.287 40.576 40.800 0.106 0.000 1.066 342 D HN 1.484 nan 8.370 nan 0.000 0.501 343 G N 0.499 109.370 108.800 0.118 0.000 2.194 343 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.236 343 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.236 343 G C 0.384 175.318 174.900 0.056 0.000 0.987 343 G CA 0.312 45.459 45.100 0.078 0.000 0.635 343 G HN 0.857 nan 8.290 nan 0.000 0.520 344 S N -0.292 115.448 115.700 0.067 0.000 2.722 344 S HA 0.927 5.397 4.470 -0.000 0.000 0.292 344 S C 0.139 174.745 174.600 0.010 0.000 1.135 344 S CA 0.723 58.970 58.200 0.078 0.000 1.003 344 S CB 2.583 65.876 63.200 0.155 0.000 1.067 344 S HN 1.888 nan 8.310 nan 0.000 0.546 345 S N -0.073 115.619 115.700 -0.013 0.000 2.843 345 S HA 0.874 5.343 4.470 -0.000 0.000 0.301 345 S C -0.647 173.891 174.600 -0.104 0.000 1.206 345 S CA -0.505 57.550 58.200 -0.242 0.000 0.875 345 S CB 1.052 64.150 63.200 -0.169 0.000 1.248 345 S HN 1.556 nan 8.310 nan 0.000 0.555 346 S N -1.076 114.543 115.700 -0.135 0.000 2.586 346 S HA 0.506 4.976 4.470 -0.000 0.000 0.277 346 S C -1.527 173.130 174.600 0.096 0.000 1.131 346 S CA -0.712 57.498 58.200 0.017 0.000 0.848 346 S CB 1.392 64.625 63.200 0.055 0.000 1.091 346 S HN 0.748 nan 8.310 nan 0.000 0.453 347 K N 1.086 121.558 120.400 0.120 0.000 2.413 347 K HA 0.254 4.574 4.320 -0.000 0.000 0.204 347 K C -0.176 176.554 176.600 0.217 0.000 1.041 347 K CA -0.201 56.196 56.287 0.184 0.000 1.082 347 K CB 0.536 33.113 32.500 0.128 0.000 0.871 347 K HN 0.383 nan 8.250 nan 0.000 0.535 348 K N 1.261 121.735 120.400 0.124 0.000 2.202 348 K HA 0.067 4.387 4.320 -0.000 0.000 0.264 348 K C 0.879 177.434 176.600 -0.074 0.000 1.010 348 K CA -0.094 56.188 56.287 -0.009 0.000 0.940 348 K CB 1.091 33.550 32.500 -0.067 0.000 0.983 348 K HN 0.014 nan 8.250 nan 0.000 0.475 349 Q N 1.213 120.750 119.800 -0.438 0.000 2.016 349 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 349 Q C -0.145 175.710 176.000 -0.243 0.000 0.978 349 Q CA 1.289 56.584 55.803 -0.846 0.000 0.833 349 Q CB 0.327 28.328 28.738 -1.229 0.000 0.895 349 Q HN 0.447 nan 8.270 nan 0.000 0.427 350 N N 1.701 120.272 118.700 -0.215 0.000 2.918 350 N HA 0.290 5.029 4.740 -0.000 0.000 0.270 350 N C -2.586 172.801 175.510 -0.204 0.000 1.536 350 N CA -0.915 52.054 53.050 -0.136 0.000 0.877 350 N CB 1.508 39.949 38.487 -0.076 0.000 1.190 350 N HN 0.310 nan 8.380 nan 0.000 0.492 351 P HA 0.225 nan 4.420 nan 0.000 0.276 351 P C -0.244 176.972 177.300 -0.140 0.000 1.261 351 P CA -0.032 62.903 63.100 -0.275 0.000 0.800 351 P CB 1.294 32.766 31.700 -0.380 0.000 1.066 352 T N 0.169 114.666 114.554 -0.096 0.000 2.861 352 T HA 0.441 4.791 4.350 -0.000 0.000 0.287 352 T C -1.106 173.510 174.700 -0.139 0.000 1.003 352 T CA -0.097 61.947 62.100 -0.094 0.000 0.977 352 T CB 0.594 69.395 68.868 -0.111 0.000 0.996 352 T HN 0.550 nan 8.240 nan 0.000 0.448 353 H N 0.831 119.699 119.070 -0.337 0.000 2.895 353 H HA 0.695 5.251 4.556 -0.000 0.000 0.373 353 H C -0.863 174.222 175.328 -0.404 0.000 1.174 353 H CA -0.412 55.287 56.048 -0.581 0.000 1.144 353 H CB 1.775 30.773 29.762 -1.274 0.000 1.793 353 H HN 0.656 nan 8.280 nan 0.000 0.551 354 T N 1.512 115.428 114.554 -1.063 0.000 2.928 354 T HA 0.393 4.742 4.350 -0.000 0.000 0.296 354 T C -1.258 172.924 174.700 -0.865 0.000 1.000 354 T CA -0.778 60.943 62.100 -0.631 0.000 0.989 354 T CB 0.353 69.008 68.868 -0.355 0.000 1.005 354 T HN 0.345 nan 8.240 nan 0.000 0.442 355 Y N 1.842 121.909 120.300 -0.389 0.000 2.299 355 Y HA 0.377 4.927 4.550 -0.000 0.000 0.326 355 Y C 2.053 177.880 175.900 -0.122 0.000 1.164 355 Y CA -0.467 57.482 58.100 -0.253 0.000 1.234 355 Y CB 1.435 39.800 38.460 -0.158 0.000 1.219 355 Y HN 0.893 nan 8.280 nan 0.000 0.497 356 S N 0.265 115.994 115.700 0.048 0.000 2.461 356 S HA 0.018 4.488 4.470 -0.000 0.000 0.228 356 S C -0.018 174.649 174.600 0.112 0.000 1.005 356 S CA 0.539 58.770 58.200 0.052 0.000 0.942 356 S CB -0.441 62.779 63.200 0.033 0.000 0.776 356 S HN 0.774 nan 8.310 nan 0.000 0.514 357 E N 0.495 120.812 120.200 0.196 0.000 2.412 357 E HA 0.446 4.796 4.350 -0.000 0.000 0.279 357 E C -0.904 175.853 176.600 0.262 0.000 0.984 357 E CA -1.082 55.433 56.400 0.192 0.000 0.788 357 E CB 0.707 30.503 29.700 0.161 0.000 1.277 357 E HN 0.124 nan 8.360 nan 0.000 0.455 358 T N -0.879 113.777 114.554 0.170 0.000 2.791 358 T HA 0.527 4.876 4.350 -0.000 0.000 0.323 358 T C 0.734 175.479 174.700 0.076 0.000 1.082 358 T CA 0.364 62.545 62.100 0.135 0.000 1.084 358 T CB 0.728 69.639 68.868 0.071 0.000 0.992 358 T HN 1.163 nan 8.240 nan 0.000 0.547 359 G N 0.162 108.933 108.800 -0.049 0.000 2.361 359 G HA2 0.316 4.276 3.960 -0.000 0.000 0.305 359 G HA3 0.316 4.276 3.960 -0.000 0.000 0.305 359 G C -1.542 173.065 174.900 -0.487 0.000 1.367 359 G CA -0.654 44.248 45.100 -0.330 0.000 0.951 359 G HN 1.146 nan 8.290 nan 0.000 0.615 360 I N 0.957 121.218 120.570 -0.515 0.000 2.328 360 I HA 0.688 4.858 4.170 -0.000 0.000 0.287 360 I C -0.968 174.907 176.117 -0.402 0.000 1.012 360 I CA -1.063 60.045 61.300 -0.320 0.000 1.195 360 I CB 0.297 38.211 38.000 -0.143 0.000 1.350 360 I HN 0.479 nan 8.210 nan 0.000 0.464 361 Y N 4.090 124.390 120.300 -0.001 0.000 2.446 361 Y HA 0.440 4.990 4.550 0.000 0.000 0.338 361 Y C 0.490 176.464 175.900 0.122 0.000 1.055 361 Y CA -0.856 57.290 58.100 0.076 0.000 1.101 361 Y CB 1.870 40.401 38.460 0.120 0.000 1.221 361 Y HN 0.339 nan 8.280 nan 0.000 0.460 362 T N 3.018 117.753 114.554 0.300 0.000 2.733 362 T HA 0.418 4.767 4.350 -0.000 0.000 0.294 362 T C -0.543 174.307 174.700 0.250 0.000 0.956 362 T CA -0.574 61.662 62.100 0.226 0.000 0.987 362 T CB 0.204 69.160 68.868 0.146 0.000 0.920 362 T HN 0.305 nan 8.240 nan 0.000 0.470 363 V N 5.101 125.184 119.914 0.281 0.000 2.370 363 V HA 0.509 4.629 4.120 -0.000 0.000 0.279 363 V C 0.361 176.545 176.094 0.150 0.000 1.029 363 V CA -0.819 61.624 62.300 0.238 0.000 0.870 363 V CB 1.091 33.131 31.823 0.360 0.000 0.984 363 V HN 0.718 nan 8.190 nan 0.000 0.451 364 R N 4.640 125.130 120.500 -0.016 0.000 2.494 364 R HA 0.702 5.042 4.340 -0.000 0.000 0.305 364 R C -1.701 174.405 176.300 -0.322 0.000 0.959 364 R CA -0.784 55.269 56.100 -0.078 0.000 0.864 364 R CB 1.663 31.925 30.300 -0.063 0.000 1.159 364 R HN 0.584 nan 8.270 nan 0.000 0.446 365 L N 3.436 124.422 121.223 -0.395 0.000 2.305 365 L HA 0.481 4.821 4.340 -0.000 0.000 0.284 365 L C -1.267 175.361 176.870 -0.404 0.000 1.013 365 L CA 0.175 54.556 54.840 -0.766 0.000 0.819 365 L CB 2.141 43.525 42.059 -1.126 0.000 1.227 365 L HN 0.667 nan 8.230 nan 0.000 0.417 366 T N 5.515 119.839 114.554 -0.384 0.000 2.809 366 T HA 0.581 4.930 4.350 -0.000 0.000 0.296 366 T C -0.252 174.301 174.700 -0.245 0.000 1.015 366 T CA -0.390 61.565 62.100 -0.242 0.000 0.954 366 T CB 1.021 69.777 68.868 -0.186 0.000 0.950 366 T HN 0.560 nan 8.240 nan 0.000 0.450 367 V N 1.200 120.980 119.914 -0.224 0.000 2.966 367 V HA 1.026 5.146 4.120 -0.000 0.000 0.317 367 V C -0.041 175.907 176.094 -0.244 0.000 1.070 367 V CA -0.808 61.317 62.300 -0.291 0.000 1.008 367 V CB 1.724 33.387 31.823 -0.265 0.000 1.070 367 V HN 0.922 nan 8.190 nan 0.000 0.457 368 S N 1.476 116.993 115.700 -0.305 0.000 2.567 368 S HA 0.712 5.182 4.470 -0.000 0.000 0.270 368 S C -1.258 173.208 174.600 -0.223 0.000 1.152 368 S CA -0.255 57.822 58.200 -0.206 0.000 0.835 368 S CB 1.918 65.021 63.200 -0.163 0.000 1.115 368 S HN 1.900 nan 8.310 nan 0.000 0.459 369 N N -0.170 118.449 118.700 -0.134 0.000 3.204 369 N HA 0.413 5.153 4.740 -0.000 0.000 0.285 369 N C 0.737 176.200 175.510 -0.079 0.000 1.536 369 N CA -0.181 52.797 53.050 -0.121 0.000 0.832 369 N CB 0.562 38.987 38.487 -0.104 0.000 1.645 369 N HN 0.802 nan 8.380 nan 0.000 0.586 370 S N -0.876 114.779 115.700 -0.074 0.000 2.465 370 S HA -0.163 4.307 4.470 -0.000 0.000 0.241 370 S C 0.501 175.067 174.600 -0.057 0.000 1.000 370 S CA 1.409 59.572 58.200 -0.062 0.000 0.964 370 S CB -1.017 62.146 63.200 -0.062 0.000 0.763 370 S HN 0.641 nan 8.310 nan 0.000 0.512 371 N N 0.403 119.069 118.700 -0.057 0.000 2.454 371 N HA 0.452 5.192 4.740 -0.000 0.000 0.177 371 N C 0.771 176.344 175.510 0.105 0.000 1.049 371 N CA 0.343 53.357 53.050 -0.060 0.000 0.887 371 N CB 0.631 38.986 38.487 -0.220 0.000 1.095 371 N HN 0.528 nan 8.380 nan 0.000 0.446 372 G N -0.966 107.916 108.800 0.137 0.000 2.435 372 G HA2 0.418 4.377 3.960 -0.000 0.000 0.296 372 G HA3 0.418 4.377 3.960 -0.000 0.000 0.296 372 G C -1.594 173.322 174.900 0.027 0.000 1.240 372 G CA -0.406 44.786 45.100 0.154 0.000 0.872 372 G HN -0.087 nan 8.290 nan 0.000 0.480 373 T N -0.038 114.494 114.554 -0.037 0.000 2.900 373 T HA 0.675 5.025 4.350 -0.000 0.000 0.303 373 T C -1.857 172.780 174.700 -0.105 0.000 1.142 373 T CA -0.304 61.746 62.100 -0.082 0.000 1.007 373 T CB 2.290 71.104 68.868 -0.089 0.000 1.156 373 T HN 0.688 nan 8.240 nan 0.000 0.490 374 D N -0.220 120.118 120.400 -0.103 0.000 2.661 374 D HA 0.666 5.306 4.640 -0.000 0.000 0.228 374 D C -1.313 174.930 176.300 -0.094 0.000 1.210 374 D CA -0.175 53.769 54.000 -0.094 0.000 0.826 374 D CB 2.280 43.038 40.800 -0.070 0.000 1.542 374 D HN 0.379 nan 8.370 nan 0.000 0.447 375 S N 0.739 116.394 115.700 -0.076 0.000 2.570 375 S HA 0.670 5.140 4.470 -0.000 0.000 0.286 375 S C -1.614 172.969 174.600 -0.029 0.000 1.099 375 S CA -0.561 57.597 58.200 -0.069 0.000 0.913 375 S CB 1.689 64.847 63.200 -0.071 0.000 1.085 375 S HN 0.438 nan 8.310 nan 0.000 0.480 376 Q N 2.529 122.335 119.800 0.010 0.000 2.331 376 Q HA 0.622 4.962 4.340 -0.000 0.000 0.272 376 Q C -1.674 174.431 176.000 0.176 0.000 1.062 376 Q CA -0.522 55.327 55.803 0.078 0.000 0.806 376 Q CB 0.928 29.740 28.738 0.123 0.000 1.312 376 Q HN 0.530 nan 8.270 nan 0.000 0.431 377 I N 1.330 121.974 120.570 0.124 0.000 2.863 377 I HA 0.731 4.901 4.170 -0.000 0.000 0.311 377 I C -0.488 175.749 176.117 0.201 0.000 1.026 377 I CA -0.558 60.843 61.300 0.168 0.000 1.077 377 I CB 1.838 39.891 38.000 0.088 0.000 1.262 377 I HN 0.693 nan 8.210 nan 0.000 0.461 378 S N 1.370 117.242 115.700 0.287 0.000 2.542 378 S HA 0.466 4.936 4.470 -0.000 0.000 0.276 378 S C -0.974 173.792 174.600 0.276 0.000 1.148 378 S CA -0.347 58.026 58.200 0.288 0.000 0.886 378 S CB 1.453 64.961 63.200 0.513 0.000 1.109 378 S HN 0.609 nan 8.310 nan 0.000 0.458 379 T N 3.119 117.793 114.554 0.200 0.000 2.767 379 T HA 0.584 4.934 4.350 -0.000 0.000 0.284 379 T C -0.802 174.009 174.700 0.185 0.000 0.973 379 T CA -0.345 61.859 62.100 0.174 0.000 0.996 379 T CB 1.104 70.035 68.868 0.105 0.000 0.927 379 T HN 0.425 nan 8.240 nan 0.000 0.456 380 V N 5.104 125.138 119.914 0.199 0.000 2.378 380 V HA 0.371 4.491 4.120 -0.000 0.000 0.288 380 V C -0.028 176.117 176.094 0.085 0.000 1.016 380 V CA -1.054 61.341 62.300 0.158 0.000 0.840 380 V CB 1.536 33.483 31.823 0.206 0.000 0.994 380 V HN 0.780 nan 8.190 nan 0.000 0.431 381 N N 3.637 122.376 118.700 0.066 0.000 2.439 381 N HA 0.343 5.083 4.740 -0.000 0.000 0.249 381 N C -0.755 174.789 175.510 0.057 0.000 1.003 381 N CA -0.114 52.965 53.050 0.048 0.000 0.942 381 N CB 2.060 40.594 38.487 0.079 0.000 1.115 381 N HN 0.401 nan 8.380 nan 0.000 0.505 382 V N 3.662 123.598 119.914 0.036 0.000 2.350 382 V HA 0.345 4.465 4.120 -0.000 0.000 0.276 382 V C 0.578 176.728 176.094 0.093 0.000 1.028 382 V CA -0.622 61.721 62.300 0.073 0.000 0.860 382 V CB 1.026 32.903 31.823 0.091 0.000 0.990 382 V HN 0.363 nan 8.190 nan 0.000 0.453 383 V N 3.460 123.454 119.914 0.133 0.000 3.158 383 V HA 0.745 4.865 4.120 -0.000 0.000 0.311 383 V C -0.694 175.540 176.094 0.232 0.000 1.181 383 V CA -1.173 61.202 62.300 0.126 0.000 1.054 383 V CB 2.096 33.943 31.823 0.040 0.000 1.085 383 V HN 0.474 nan 8.190 nan 0.000 0.446 384 L N 1.490 122.797 121.223 0.140 0.000 2.399 384 L HA 0.483 4.823 4.340 -0.000 0.000 0.266 384 L C 0.680 177.566 176.870 0.028 0.000 1.114 384 L CA -0.006 54.884 54.840 0.083 0.000 0.804 384 L CB 0.763 42.831 42.059 0.014 0.000 1.146 384 L HN 0.679 nan 8.230 nan 0.000 0.451 385 K N 1.437 121.678 120.400 -0.265 0.000 2.451 385 K HA 0.325 4.644 4.320 -0.000 0.000 0.280 385 K C 0.877 177.364 176.600 -0.189 0.000 1.020 385 K CA 0.885 56.860 56.287 -0.520 0.000 1.008 385 K CB 0.108 32.155 32.500 -0.755 0.000 0.917 385 K HN 0.848 nan 8.250 nan 0.000 0.478 386 G N 1.654 110.397 108.800 -0.096 0.000 2.213 386 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.236 386 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.236 386 G C 0.146 175.023 174.900 -0.039 0.000 0.991 386 G CA -0.010 45.056 45.100 -0.057 0.000 0.629 386 G HN 0.548 nan 8.290 nan 0.000 0.517 387 S N 1.718 117.399 115.700 -0.032 0.000 2.617 387 S HA 0.572 5.042 4.470 -0.000 0.000 0.269 387 S C -1.926 172.632 174.600 -0.071 0.000 1.292 387 S CA -0.696 57.481 58.200 -0.038 0.000 1.010 387 S CB 1.149 64.336 63.200 -0.022 0.000 0.944 387 S HN 0.262 nan 8.310 nan 0.000 0.536 388 P HA 0.088 nan 4.420 nan 0.000 0.262 388 P C -0.308 176.912 177.300 -0.133 0.000 1.182 388 P CA -0.020 63.034 63.100 -0.077 0.000 0.761 388 P CB 0.046 31.716 31.700 -0.049 0.000 0.795 389 T N 1.478 115.938 114.554 -0.157 0.000 2.922 389 T HA 0.511 4.861 4.350 -0.000 0.000 0.285 389 T C -1.874 172.781 174.700 -0.075 0.000 1.005 389 T CA -1.635 60.328 62.100 -0.227 0.000 1.061 389 T CB 0.077 68.807 68.868 -0.230 0.000 1.007 389 T HN 0.252 nan 8.240 nan 0.000 0.502 390 P HA 0.215 nan 4.420 nan 0.000 0.272 390 P C 0.138 177.463 177.300 0.042 0.000 1.240 390 P CA -0.495 62.621 63.100 0.028 0.000 0.791 390 P CB 0.570 32.311 31.700 0.069 0.000 0.978 391 S N 0.000 115.718 115.700 0.029 0.000 2.498 391 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 391 S CA 0.000 58.216 58.200 0.027 0.000 1.107 391 S CB 0.000 63.209 63.200 0.016 0.000 0.593 391 S HN 0.000 nan 8.310 nan 0.000 0.517