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 1kfx_1_L DATA FIRST_RESID 2 DATA SEQUENCE AGIAAKLAKD REAAEGLGSH ERAIKYLNQD YEALRNECLE AGTLFQDPSF DATA SEQUENCE PAIPSALGFK ELGPYSSKTR GMRWKRPTEI CADPQFIIGG ATRTDICQGA DATA SEQUENCE LGDCWLLAAI ASLTLNEEIL ARVVPLNQSF QENYAGIFHF QFWQYGEWVE DATA SEQUENCE VVVDDRLPTK DGELLFVHSA EGSEFWSALL EKAYAKINGC YEALSGGATT DATA SEQUENCE EGFEDFTGGI AEWYELKKPP PNLFKIIQKA LQKGSLLGCS IDXXXXXXXX DATA SEQUENCE XXXXXXXXKG HAYSVTGAEE VESNGSLQKL IRIRNPWGEV EWTGRXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXWMSFSDF LRHYSRLEIC NLTPDTLTSD DATA SEQUENCE TYKKWKLTKM DGNWRRGSTA GGCRNYPNTF WMNPQYLIKL EEEDEXXXXX DATA SEQUENCE XXXCTFLVGL IQKHRRRQRK MGEDMHTIGF GIYEVPEEXX XXTNIHLSKN DATA SEQUENCE FFLTNRARER SDTFINLREV LNRFKLPPGE YILVPSTFEP NKDGDFCIRV DATA SEQUENCE FSEKKADYQA VDDEIEANLE EFDISEDDID DGVRRLFAQL AGEDAEISAF DATA SEQUENCE ELQTILRRVL AKRXXXKSDG FSIETCKIMV DMLDSDGSGK LGLKEFYILW DATA SEQUENCE TKIQKYQKIY REIDVDRSGT MNSYEMRKAL EEAGFKMPCQ LHQVIVARFA DATA SEQUENCE DDQLIIDFDN FVRCLVRLET LFKIFKQLDP ENTGTIELDL ISWLCFSVL 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.565 177.584 -0.032 0.000 1.274 2 A CA 0.000 52.017 52.037 -0.034 0.000 0.836 2 A CB 0.000 18.979 19.000 -0.035 0.000 0.831 3 G N -0.339 108.441 108.800 -0.033 0.000 3.087 3 G HA2 0.100 3.056 3.960 -1.674 0.000 0.680 3 G HA3 0.100 3.056 3.960 -1.674 0.000 0.680 3 G C 0.806 175.684 174.900 -0.037 0.000 1.626 3 G CA 0.344 45.426 45.100 -0.031 0.000 1.157 3 G HN 2.131 nan 8.290 nan 0.000 0.599 4 I N -0.567 119.978 120.570 -0.041 0.000 2.229 4 I HA -0.295 2.870 4.170 -1.674 0.000 0.250 4 I C 2.807 178.896 176.117 -0.047 0.000 1.096 4 I CA 3.081 64.351 61.300 -0.050 0.000 1.358 4 I CB -2.384 35.587 38.000 -0.049 0.000 1.047 4 I HN 1.365 nan 8.210 nan 0.000 0.422 5 A N 1.668 124.470 122.820 -0.030 0.000 1.915 5 A HA -0.178 3.138 4.320 -1.674 0.000 0.220 5 A C 2.635 180.188 177.584 -0.052 0.000 1.198 5 A CA 3.384 55.397 52.037 -0.040 0.000 0.647 5 A CB -1.151 17.838 19.000 -0.018 0.000 0.825 5 A HN 0.665 nan 8.150 nan 0.000 0.456 6 A N -0.299 122.493 122.820 -0.047 0.000 1.832 6 A HA -0.109 3.207 4.320 -1.674 0.000 0.214 6 A C 2.003 179.551 177.584 -0.059 0.000 1.200 6 A CA 2.244 54.250 52.037 -0.051 0.000 0.610 6 A CB -0.545 18.427 19.000 -0.047 0.000 0.842 6 A HN 0.454 nan 8.150 nan 0.000 0.444 7 K N -0.847 119.515 120.400 -0.064 0.000 2.520 7 K HA -0.085 3.231 4.320 -1.674 0.000 0.197 7 K C 1.167 177.721 176.600 -0.077 0.000 1.044 7 K CA 1.132 57.375 56.287 -0.075 0.000 0.938 7 K CB -0.315 32.136 32.500 -0.083 0.000 0.767 7 K HN 0.375 nan 8.250 nan 0.000 0.481 8 L N -1.601 119.579 121.223 -0.071 0.000 2.642 8 L HA 0.413 3.749 4.340 -1.674 0.000 0.233 8 L C 1.605 178.432 176.870 -0.072 0.000 1.077 8 L CA 0.937 55.732 54.840 -0.075 0.000 0.879 8 L CB 0.108 42.122 42.059 -0.076 0.000 1.151 8 L HN 0.101 nan 8.230 nan 0.000 0.495 9 A N -1.188 121.591 122.820 -0.068 0.000 2.132 9 A HA 0.028 3.344 4.320 -1.674 0.000 0.213 9 A C 2.076 179.627 177.584 -0.055 0.000 1.154 9 A CA 0.480 52.478 52.037 -0.065 0.000 0.753 9 A CB -0.255 18.707 19.000 -0.065 0.000 0.826 9 A HN 0.157 nan 8.150 nan 0.000 0.469 10 K N 0.457 120.825 120.400 -0.054 0.000 2.365 10 K HA -0.070 3.246 4.320 -1.674 0.000 0.197 10 K C 0.437 177.008 176.600 -0.047 0.000 1.042 10 K CA 0.984 57.243 56.287 -0.047 0.000 0.987 10 K CB -0.168 32.302 32.500 -0.050 0.000 0.779 10 K HN 0.341 nan 8.250 nan 0.000 0.484 11 D N 0.868 121.235 120.400 -0.055 0.000 2.103 11 D HA -0.083 3.553 4.640 -1.674 0.000 0.199 11 D C 1.969 178.243 176.300 -0.044 0.000 0.978 11 D CA 0.975 54.943 54.000 -0.054 0.000 0.829 11 D CB 0.047 40.808 40.800 -0.065 0.000 0.981 11 D HN 0.318 nan 8.370 nan 0.000 0.464 12 R N 0.946 121.419 120.500 -0.046 0.000 2.096 12 R HA -0.035 3.301 4.340 -1.674 0.000 0.235 12 R C 1.710 177.993 176.300 -0.029 0.000 1.127 12 R CA 0.823 56.900 56.100 -0.039 0.000 0.968 12 R CB -0.353 29.920 30.300 -0.045 0.000 0.861 12 R HN 0.141 nan 8.270 nan 0.000 0.440 13 E N 1.464 121.646 120.200 -0.029 0.000 2.072 13 E HA -0.057 3.289 4.350 -1.674 0.000 0.190 13 E C 2.090 178.684 176.600 -0.010 0.000 0.982 13 E CA 1.341 57.730 56.400 -0.020 0.000 0.803 13 E CB -0.155 29.532 29.700 -0.022 0.000 0.755 13 E HN 0.431 nan 8.360 nan 0.000 0.453 14 A N 1.185 123.997 122.820 -0.015 0.000 2.066 14 A HA 0.088 3.404 4.320 -1.674 0.000 0.218 14 A C 2.279 179.863 177.584 -0.000 0.000 1.157 14 A CA 1.344 53.378 52.037 -0.006 0.000 0.670 14 A CB -0.234 18.755 19.000 -0.019 0.000 0.804 14 A HN 0.218 nan 8.150 nan 0.000 0.453 15 A N -0.591 122.224 122.820 -0.009 0.000 2.067 15 A HA -0.010 3.306 4.320 -1.674 0.000 0.217 15 A C 1.891 179.477 177.584 0.002 0.000 1.156 15 A CA 1.250 53.283 52.037 -0.006 0.000 0.683 15 A CB -0.199 18.791 19.000 -0.017 0.000 0.808 15 A HN 0.593 nan 8.150 nan 0.000 0.455 16 E N -1.457 118.745 120.200 0.003 0.000 2.045 16 E HA 0.135 3.481 4.350 -1.674 0.000 0.190 16 E C 1.704 178.315 176.600 0.019 0.000 0.968 16 E CA 0.871 57.276 56.400 0.007 0.000 0.813 16 E CB 0.084 29.785 29.700 0.001 0.000 0.780 16 E HN 0.548 nan 8.360 nan 0.000 0.455 17 G N 0.091 108.906 108.800 0.023 0.000 3.824 17 G HA2 0.000 2.956 3.960 -1.674 0.000 0.198 17 G HA3 0.000 2.956 3.960 -1.674 0.000 0.198 17 G C -0.213 174.717 174.900 0.049 0.000 1.400 17 G CA -0.428 44.695 45.100 0.039 0.000 0.912 17 G HN 0.127 nan 8.290 nan 0.000 0.638 18 L N 2.241 123.486 121.223 0.037 0.000 4.059 18 L HA 0.165 3.501 4.340 -1.674 0.000 0.493 18 L C 1.556 178.463 176.870 0.063 0.000 1.078 18 L CA 2.350 57.215 54.840 0.041 0.000 0.633 18 L CB -0.239 41.832 42.059 0.020 0.000 0.912 18 L HN 1.691 nan 8.230 nan 0.000 0.936 19 G N 1.719 110.576 108.800 0.095 0.000 2.475 19 G HA2 -0.265 2.691 3.960 -1.674 0.000 0.209 19 G HA3 -0.265 2.691 3.960 -1.674 0.000 0.209 19 G C 0.315 175.374 174.900 0.266 0.000 1.127 19 G CA 0.483 45.668 45.100 0.141 0.000 0.681 19 G HN 1.449 nan 8.290 nan 0.000 0.517 20 S N 0.483 116.320 115.700 0.228 0.000 2.572 20 S HA 0.324 3.790 4.470 -1.674 0.000 0.267 20 S C 1.107 175.854 174.600 0.246 0.000 1.361 20 S CA 1.036 59.417 58.200 0.301 0.000 1.009 20 S CB 0.975 64.288 63.200 0.189 0.000 0.888 20 S HN 0.677 nan 8.310 nan 0.000 0.553 21 H N 1.645 120.720 119.070 0.007 0.000 2.261 21 H HA -0.158 3.394 4.556 -1.674 0.000 0.290 21 H C 1.821 177.066 175.328 -0.137 0.000 1.081 21 H CA 2.925 58.776 56.048 -0.330 0.000 1.196 21 H CB -0.593 28.924 29.762 -0.409 0.000 1.350 21 H HN 0.849 nan 8.280 nan 0.000 0.498 22 E N 0.374 120.611 120.200 0.061 0.000 2.110 22 E HA -0.225 3.121 4.350 -1.674 0.000 0.225 22 E C 1.066 177.659 176.600 -0.011 0.000 1.063 22 E CA 1.864 58.275 56.400 0.018 0.000 0.906 22 E CB -0.202 29.523 29.700 0.042 0.000 0.795 22 E HN 0.391 nan 8.360 nan 0.000 0.479 23 R N 0.488 121.002 120.500 0.024 0.000 3.785 23 R HA 0.482 3.818 4.340 -1.674 0.000 0.255 23 R C -0.758 175.570 176.300 0.047 0.000 1.485 23 R CA -0.246 55.869 56.100 0.025 0.000 1.555 23 R CB 0.658 30.977 30.300 0.033 0.000 1.362 23 R HN 0.110 nan 8.270 nan 0.000 0.702 24 A N 1.734 124.571 122.820 0.028 0.000 2.407 24 A HA 0.283 3.599 4.320 -1.674 0.000 0.248 24 A C 0.581 178.213 177.584 0.079 0.000 1.082 24 A CA -0.469 51.624 52.037 0.093 0.000 0.785 24 A CB 0.334 19.388 19.000 0.090 0.000 1.020 24 A HN 0.505 nan 8.150 nan 0.000 0.489 25 I N 0.625 121.258 120.570 0.104 0.000 2.993 25 I HA 0.036 3.202 4.170 -1.674 0.000 0.286 25 I C 0.622 176.797 176.117 0.096 0.000 1.215 25 I CA 0.599 61.949 61.300 0.084 0.000 1.393 25 I CB 0.396 38.447 38.000 0.086 0.000 1.371 25 I HN 0.544 nan 8.210 nan 0.000 0.602 26 K N 5.048 125.497 120.400 0.082 0.000 2.423 26 K HA 0.204 3.519 4.320 -1.674 0.000 0.234 26 K C -0.864 175.807 176.600 0.119 0.000 1.051 26 K CA -0.723 55.621 56.287 0.095 0.000 1.021 26 K CB 0.619 33.152 32.500 0.056 0.000 1.474 26 K HN 0.353 nan 8.250 nan 0.000 0.474 27 Y N 3.351 123.672 120.300 0.034 0.000 2.969 27 Y HA -0.266 3.279 4.550 -1.675 0.000 0.339 27 Y C 1.142 177.059 175.900 0.027 0.000 1.272 27 Y CA 0.986 59.104 58.100 0.029 0.000 1.577 27 Y CB 0.133 38.616 38.460 0.039 0.000 1.234 27 Y HN 0.616 nan 8.280 nan 0.000 0.590 28 L N 4.193 125.117 121.223 -0.499 0.000 4.137 28 L HA -0.495 2.841 4.340 -1.674 0.000 0.421 28 L C 0.443 177.240 176.870 -0.122 0.000 1.162 28 L CA 0.890 55.516 54.840 -0.358 0.000 0.978 28 L CB -1.521 40.332 42.059 -0.343 0.000 1.957 28 L HN 0.924 nan 8.230 nan 0.000 0.978 29 N N 0.956 119.613 118.700 -0.071 0.000 2.696 29 N HA -0.177 3.559 4.740 -1.674 0.000 0.256 29 N C 0.165 175.673 175.510 -0.003 0.000 1.031 29 N CA 1.310 54.343 53.050 -0.028 0.000 0.730 29 N CB -0.392 38.071 38.487 -0.040 0.000 0.894 29 N HN 0.675 nan 8.380 nan 0.000 0.544 30 Q N 0.236 120.052 119.800 0.027 0.000 2.331 30 Q HA 0.315 3.650 4.340 -1.674 0.000 0.267 30 Q C -0.812 175.197 176.000 0.016 0.000 1.006 30 Q CA -0.698 55.125 55.803 0.033 0.000 0.818 30 Q CB 1.979 30.768 28.738 0.085 0.000 1.276 30 Q HN 0.089 nan 8.270 nan 0.000 0.450 31 D N 1.391 121.775 120.400 -0.026 0.000 2.280 31 D HA 0.033 3.669 4.640 -1.674 0.000 0.236 31 D C -0.146 176.101 176.300 -0.088 0.000 1.082 31 D CA -0.190 53.787 54.000 -0.039 0.000 0.834 31 D CB 0.907 41.674 40.800 -0.056 0.000 1.100 31 D HN 0.510 nan 8.370 nan 0.000 0.486 32 Y N 4.329 124.491 120.300 -0.230 0.000 2.062 32 Y HA -0.209 3.337 4.550 -1.674 0.000 0.272 32 Y C 1.721 177.405 175.900 -0.359 0.000 1.117 32 Y CA 2.130 59.999 58.100 -0.385 0.000 1.095 32 Y CB -0.280 37.840 38.460 -0.567 0.000 0.985 32 Y HN 0.533 nan 8.280 nan 0.000 0.479 33 E N 0.646 120.646 120.200 -0.332 0.000 2.095 33 E HA -0.367 2.979 4.350 -1.674 0.000 0.212 33 E C 2.240 178.636 176.600 -0.340 0.000 1.044 33 E CA 1.727 57.901 56.400 -0.376 0.000 0.857 33 E CB -0.752 28.838 29.700 -0.182 0.000 0.764 33 E HN 0.565 nan 8.360 nan 0.000 0.462 34 A N 1.153 123.836 122.820 -0.229 0.000 1.908 34 A HA -0.256 3.060 4.320 -1.674 0.000 0.211 34 A C 2.146 179.583 177.584 -0.245 0.000 1.225 34 A CA 1.933 53.855 52.037 -0.191 0.000 0.689 34 A CB -1.146 17.775 19.000 -0.131 0.000 0.843 34 A HN 0.169 nan 8.150 nan 0.000 0.472 35 L N -0.253 120.819 121.223 -0.252 0.000 2.054 35 L HA -0.286 3.050 4.340 -1.674 0.000 0.220 35 L C 2.632 179.272 176.870 -0.382 0.000 1.081 35 L CA 2.599 57.260 54.840 -0.298 0.000 0.780 35 L CB -1.096 40.707 42.059 -0.426 0.000 0.893 35 L HN 0.600 nan 8.230 nan 0.000 0.438 36 R N -0.071 120.104 120.500 -0.543 0.000 2.113 36 R HA -0.216 3.120 4.340 -1.674 0.000 0.231 36 R C 2.161 178.211 176.300 -0.416 0.000 1.129 36 R CA 2.335 58.065 56.100 -0.616 0.000 0.915 36 R CB -0.443 29.276 30.300 -0.967 0.000 0.837 36 R HN 0.557 nan 8.270 nan 0.000 0.430 37 N N 0.148 118.625 118.700 -0.371 0.000 2.060 37 N HA -0.202 3.534 4.740 -1.674 0.000 0.195 37 N C 0.716 176.109 175.510 -0.196 0.000 1.028 37 N CA 1.544 54.441 53.050 -0.255 0.000 0.861 37 N CB -0.156 38.202 38.487 -0.216 0.000 1.029 37 N HN 0.442 nan 8.380 nan 0.000 0.428 38 E N -0.306 119.784 120.200 -0.184 0.000 2.357 38 E HA -0.001 3.345 4.350 -1.674 0.000 0.194 38 E C 0.304 176.835 176.600 -0.115 0.000 1.177 38 E CA -0.248 56.075 56.400 -0.129 0.000 0.998 38 E CB 0.013 29.650 29.700 -0.106 0.000 1.106 38 E HN 0.385 nan 8.360 nan 0.000 0.470 39 C N -1.055 118.157 119.300 -0.146 0.000 3.913 39 C HA 0.212 3.667 4.460 -1.674 0.000 0.535 39 C C 1.864 176.778 174.990 -0.125 0.000 1.470 39 C CA -0.179 58.766 59.018 -0.122 0.000 2.358 39 C CB -0.132 27.515 27.740 -0.155 0.000 3.527 39 C HN 0.449 nan 8.230 nan 0.000 0.611 40 L N 0.731 121.863 121.223 -0.152 0.000 2.068 40 L HA 0.019 3.355 4.340 -1.674 0.000 0.204 40 L C 2.432 179.249 176.870 -0.089 0.000 1.076 40 L CA 1.427 56.189 54.840 -0.129 0.000 0.753 40 L CB -0.623 41.345 42.059 -0.151 0.000 0.910 40 L HN 0.347 nan 8.230 nan 0.000 0.439 41 E N 0.355 120.501 120.200 -0.090 0.000 2.204 41 E HA -0.185 3.160 4.350 -1.674 0.000 0.195 41 E C 2.052 178.620 176.600 -0.053 0.000 0.990 41 E CA 1.134 57.493 56.400 -0.067 0.000 0.821 41 E CB -0.023 29.635 29.700 -0.070 0.000 0.750 41 E HN 0.479 nan 8.360 nan 0.000 0.477 42 A N 0.323 123.110 122.820 -0.055 0.000 2.132 42 A HA 0.227 3.542 4.320 -1.674 0.000 0.213 42 A C 1.821 179.385 177.584 -0.032 0.000 1.154 42 A CA 0.917 52.930 52.037 -0.040 0.000 0.753 42 A CB -0.080 18.897 19.000 -0.038 0.000 0.826 42 A HN 0.308 nan 8.150 nan 0.000 0.469 43 G N -0.675 108.101 108.800 -0.039 0.000 2.147 43 G HA2 -0.217 2.738 3.960 -1.674 0.000 0.244 43 G HA3 -0.217 2.738 3.960 -1.674 0.000 0.244 43 G C 0.342 175.229 174.900 -0.021 0.000 1.005 43 G CA 0.804 45.888 45.100 -0.027 0.000 0.713 43 G HN 1.206 nan 8.290 nan 0.000 0.515 44 T N -1.439 113.096 114.554 -0.031 0.000 2.919 44 T HA 0.792 4.137 4.350 -1.674 0.000 0.282 44 T C 0.049 174.726 174.700 -0.038 0.000 1.020 44 T CA -1.020 61.068 62.100 -0.021 0.000 0.994 44 T CB 2.384 71.244 68.868 -0.013 0.000 1.180 44 T HN 0.388 nan 8.240 nan 0.000 0.566 45 L N 1.380 122.593 121.223 -0.017 0.000 2.313 45 L HA 0.489 3.825 4.340 -1.674 0.000 0.283 45 L C -0.100 176.789 176.870 0.032 0.000 1.013 45 L CA -1.094 53.729 54.840 -0.027 0.000 0.816 45 L CB 1.283 43.349 42.059 0.013 0.000 1.236 45 L HN 0.620 nan 8.230 nan 0.000 0.419 46 F N 3.584 123.448 119.950 -0.143 0.000 2.641 46 F HA -0.114 3.408 4.527 -1.674 0.000 0.350 46 F C 0.200 175.978 175.800 -0.038 0.000 1.120 46 F CA 0.469 58.412 58.000 -0.096 0.000 1.348 46 F CB 0.236 39.169 39.000 -0.110 0.000 1.005 46 F HN 0.480 nan 8.300 nan 0.000 0.621 47 Q N 3.957 123.270 119.800 -0.811 0.000 2.961 47 Q HA 0.042 3.377 4.340 -1.674 0.000 0.223 47 Q C -1.352 174.103 176.000 -0.908 0.000 0.859 47 Q CA -0.607 54.783 55.803 -0.689 0.000 0.771 47 Q CB 0.869 29.435 28.738 -0.287 0.000 1.389 47 Q HN 0.575 nan 8.270 nan 0.000 0.460 48 D N 4.572 124.281 120.400 -1.152 0.000 2.503 48 D HA -0.060 3.576 4.640 -1.674 0.000 0.280 48 D C -1.208 174.965 176.300 -0.212 0.000 1.405 48 D CA -0.322 53.332 54.000 -0.576 0.000 1.049 48 D CB 0.854 41.552 40.800 -0.169 0.000 1.127 48 D HN 0.310 nan 8.370 nan 0.000 0.551 49 P HA -0.050 nan 4.420 nan 0.000 0.229 49 P C 1.015 178.328 177.300 0.021 0.000 1.160 49 P CA 0.351 63.425 63.100 -0.043 0.000 0.777 49 P CB 0.608 32.303 31.700 -0.008 0.000 0.814 50 S N -0.856 114.895 115.700 0.086 0.000 2.388 50 S HA 0.044 3.510 4.470 -1.674 0.000 0.223 50 S C 0.652 175.400 174.600 0.247 0.000 1.034 50 S CA 0.484 58.769 58.200 0.142 0.000 0.963 50 S CB -0.339 62.964 63.200 0.172 0.000 0.827 50 S HN 0.095 nan 8.310 nan 0.000 0.481 51 F N 2.931 122.898 119.950 0.028 0.000 2.584 51 F HA 0.483 4.006 4.527 -1.673 0.000 0.328 51 F C -3.009 172.746 175.800 -0.076 0.000 1.407 51 F CA -3.357 54.655 58.000 0.020 0.000 1.145 51 F CB 0.274 39.326 39.000 0.087 0.000 1.440 51 F HN -0.071 nan 8.300 nan 0.000 0.580 52 P HA 0.083 nan 4.420 nan 0.000 0.270 52 P C -0.393 176.526 177.300 -0.636 0.000 1.221 52 P CA 0.089 62.996 63.100 -0.321 0.000 0.788 52 P CB 0.760 32.317 31.700 -0.238 0.000 0.904 53 A N 1.344 123.682 122.820 -0.803 0.000 3.258 53 A HA 0.329 3.645 4.320 -1.674 0.000 0.275 53 A C 0.274 176.955 177.584 -1.505 0.000 1.452 53 A CA -0.173 50.854 52.037 -1.683 0.000 1.120 53 A CB -1.524 16.713 19.000 -1.273 0.000 1.107 53 A HN 0.365 nan 8.150 nan 0.000 0.651 54 I N -2.719 117.351 120.570 -0.833 0.000 3.660 54 I HA 0.483 3.648 4.170 -1.674 0.000 0.285 54 I C -1.727 174.304 176.117 -0.145 0.000 1.266 54 I CA -2.575 58.498 61.300 -0.378 0.000 0.987 54 I CB -0.309 37.563 38.000 -0.213 0.000 1.417 54 I HN -0.079 nan 8.210 nan 0.000 0.590 55 P HA -0.053 nan 4.420 nan 0.000 0.219 55 P C 1.506 178.898 177.300 0.154 0.000 1.154 55 P CA 1.488 64.683 63.100 0.159 0.000 0.826 55 P CB -0.072 31.709 31.700 0.135 0.000 0.795 56 S N 0.089 115.850 115.700 0.101 0.000 2.440 56 S HA -0.182 3.283 4.470 -1.674 0.000 0.240 56 S C 2.042 176.736 174.600 0.156 0.000 1.014 56 S CA 1.286 59.570 58.200 0.141 0.000 0.980 56 S CB -1.455 61.811 63.200 0.110 0.000 0.775 56 S HN 0.140 nan 8.310 nan 0.000 0.499 57 A N 1.291 124.123 122.820 0.020 0.000 1.968 57 A HA 0.207 3.523 4.320 -1.674 0.000 0.217 57 A C 2.118 179.830 177.584 0.213 0.000 1.169 57 A CA 0.980 52.932 52.037 -0.142 0.000 0.638 57 A CB -0.575 17.950 19.000 -0.793 0.000 0.812 57 A HN 0.439 nan 8.150 nan 0.000 0.446 58 L N -1.249 120.159 121.223 0.309 0.000 1.973 58 L HA 0.182 3.518 4.340 -1.674 0.000 0.208 58 L C 1.510 178.554 176.870 0.291 0.000 1.073 58 L CA 1.981 57.037 54.840 0.360 0.000 0.746 58 L CB -1.079 41.173 42.059 0.322 0.000 0.891 58 L HN 0.519 nan 8.230 nan 0.000 0.433 59 G N -3.457 105.472 108.800 0.216 0.000 2.494 59 G HA2 0.470 3.426 3.960 -1.674 0.000 0.308 59 G HA3 0.470 3.426 3.960 -1.674 0.000 0.308 59 G C -1.673 173.327 174.900 0.166 0.000 1.263 59 G CA -0.045 45.111 45.100 0.093 0.000 0.840 59 G HN 0.080 nan 8.290 nan 0.000 0.479 60 F N -1.864 118.178 119.950 0.153 0.000 2.692 60 F HA 0.784 4.308 4.527 -1.672 0.000 0.320 60 F C -0.056 175.825 175.800 0.135 0.000 1.123 60 F CA -1.614 56.467 58.000 0.135 0.000 0.961 60 F CB 0.825 39.896 39.000 0.119 0.000 1.383 60 F HN 0.549 nan 8.300 nan 0.000 0.483 61 K N 1.923 122.462 120.400 0.232 0.000 2.811 61 K HA -0.203 3.112 4.320 -1.674 0.000 0.291 61 K C -0.092 176.473 176.600 -0.058 0.000 0.979 61 K CA 1.595 57.965 56.287 0.138 0.000 1.044 61 K CB -0.324 32.324 32.500 0.247 0.000 1.159 61 K HN 0.817 nan 8.250 nan 0.000 0.453 62 E N 1.233 121.426 120.200 -0.011 0.000 3.592 62 E HA -0.164 3.182 4.350 -1.674 0.000 0.163 62 E C -0.223 176.344 176.600 -0.054 0.000 0.936 62 E CA 1.203 57.577 56.400 -0.044 0.000 2.693 62 E CB -1.136 28.514 29.700 -0.083 0.000 1.518 62 E HN 0.329 nan 8.360 nan 0.000 0.603 63 L N 2.059 123.233 121.223 -0.082 0.000 2.672 63 L HA 0.444 3.779 4.340 -1.674 0.000 0.236 63 L C 1.010 177.881 176.870 0.002 0.000 1.186 63 L CA 1.082 55.911 54.840 -0.019 0.000 0.977 63 L CB -0.229 41.855 42.059 0.042 0.000 1.203 63 L HN 0.337 nan 8.230 nan 0.000 0.448 64 G N 0.180 108.978 108.800 -0.004 0.000 2.503 64 G HA2 0.366 3.321 3.960 -1.674 0.000 0.257 64 G HA3 0.366 3.321 3.960 -1.674 0.000 0.257 64 G C -2.275 172.693 174.900 0.114 0.000 1.214 64 G CA -0.722 44.429 45.100 0.085 0.000 0.839 64 G HN 0.040 nan 8.290 nan 0.000 0.559 65 P HA -0.143 nan 4.420 nan 0.000 0.273 65 P C 0.422 177.858 177.300 0.227 0.000 1.252 65 P CA 0.808 64.006 63.100 0.163 0.000 0.809 65 P CB 0.332 32.134 31.700 0.170 0.000 1.017 66 Y N -2.577 117.755 120.300 0.054 0.000 2.769 66 Y HA -0.353 3.193 4.550 -1.674 0.000 0.487 66 Y C 0.762 176.684 175.900 0.036 0.000 1.131 66 Y CA 2.124 60.249 58.100 0.043 0.000 2.888 66 Y CB -2.506 35.980 38.460 0.043 0.000 0.920 66 Y HN 0.441 nan 8.280 nan 0.000 0.553 67 S N 1.243 116.439 115.700 -0.840 0.000 2.554 67 S HA 0.166 3.632 4.470 -1.674 0.000 0.290 67 S C 1.299 175.649 174.600 -0.417 0.000 1.309 67 S CA 0.452 58.143 58.200 -0.849 0.000 1.047 67 S CB 0.873 63.858 63.200 -0.358 0.000 0.828 67 S HN 0.640 nan 8.310 nan 0.000 0.509 68 S N 3.567 119.062 115.700 -0.342 0.000 2.406 68 S HA -0.041 3.425 4.470 -1.674 0.000 0.228 68 S C 1.745 176.264 174.600 -0.136 0.000 1.020 68 S CA 0.904 58.990 58.200 -0.189 0.000 0.965 68 S CB -0.317 62.795 63.200 -0.147 0.000 0.798 68 S HN 0.774 nan 8.310 nan 0.000 0.488 69 K N 1.092 121.411 120.400 -0.135 0.000 2.189 69 K HA -0.153 3.163 4.320 -1.674 0.000 0.207 69 K C 1.895 178.438 176.600 -0.094 0.000 1.046 69 K CA 1.846 58.069 56.287 -0.106 0.000 0.928 69 K CB -0.166 32.280 32.500 -0.090 0.000 0.720 69 K HN 0.584 nan 8.250 nan 0.000 0.458 70 T N -3.501 111.009 114.554 -0.073 0.000 3.040 70 T HA 0.193 3.539 4.350 -1.674 0.000 0.266 70 T C 0.399 175.092 174.700 -0.011 0.000 1.005 70 T CA -0.618 61.467 62.100 -0.026 0.000 0.906 70 T CB 0.091 68.977 68.868 0.031 0.000 1.082 70 T HN 0.019 nan 8.240 nan 0.000 0.531 71 R N 1.474 121.948 120.500 -0.044 0.000 2.537 71 R HA 0.447 3.783 4.340 -1.674 0.000 0.280 71 R C 0.538 176.831 176.300 -0.013 0.000 1.058 71 R CA 1.104 57.189 56.100 -0.024 0.000 1.057 71 R CB -0.287 29.978 30.300 -0.057 0.000 0.973 71 R HN 0.528 nan 8.270 nan 0.000 0.438 72 G N 3.792 112.600 108.800 0.015 0.000 2.883 72 G HA2 -0.218 2.738 3.960 -1.674 0.000 0.219 72 G HA3 -0.218 2.738 3.960 -1.674 0.000 0.219 72 G C -0.877 174.029 174.900 0.010 0.000 0.908 72 G CA 0.092 45.201 45.100 0.015 0.000 0.978 72 G HN 0.557 nan 8.290 nan 0.000 0.365 73 M N 1.777 121.404 119.600 0.045 0.000 2.433 73 M HA 0.696 4.172 4.480 -1.674 0.000 0.290 73 M C -0.230 176.107 176.300 0.062 0.000 1.173 73 M CA -0.732 54.581 55.300 0.022 0.000 0.905 73 M CB 1.787 34.422 32.600 0.059 0.000 1.692 73 M HN 0.418 nan 8.290 nan 0.000 0.462 74 R N 3.029 123.516 120.500 -0.022 0.000 2.332 74 R HA 0.282 3.618 4.340 -1.674 0.000 0.306 74 R C -1.677 174.628 176.300 0.008 0.000 1.117 74 R CA -0.262 55.856 56.100 0.031 0.000 1.108 74 R CB 0.593 30.896 30.300 0.005 0.000 1.126 74 R HN 0.643 nan 8.270 nan 0.000 0.548 75 W N 4.190 125.509 121.300 0.032 0.000 2.581 75 W HA 0.173 3.829 4.660 -1.674 0.000 0.359 75 W C 0.293 176.841 176.519 0.049 0.000 1.167 75 W CA -0.125 57.246 57.345 0.044 0.000 1.517 75 W CB 0.345 29.824 29.460 0.032 0.000 1.519 75 W HN 0.105 nan 8.180 nan 0.000 0.431 76 K N 3.116 123.617 120.400 0.168 0.000 2.203 76 K HA 0.615 3.930 4.320 -1.674 0.000 0.251 76 K C 0.171 176.856 176.600 0.142 0.000 0.944 76 K CA -1.242 55.126 56.287 0.136 0.000 0.829 76 K CB 2.243 34.790 32.500 0.079 0.000 1.125 76 K HN 0.201 nan 8.250 nan 0.000 0.430 77 R N 1.303 121.887 120.500 0.140 0.000 2.546 77 R HA 0.162 3.497 4.340 -1.674 0.000 0.266 77 R C -1.775 174.547 176.300 0.036 0.000 1.086 77 R CA -1.689 54.495 56.100 0.142 0.000 1.160 77 R CB -0.000 30.425 30.300 0.208 0.000 1.138 77 R HN 0.312 nan 8.270 nan 0.000 0.567 78 P HA -0.295 nan 4.420 nan 0.000 0.213 78 P C 1.163 178.411 177.300 -0.088 0.000 1.176 78 P CA 2.289 65.152 63.100 -0.396 0.000 0.919 78 P CB -0.146 31.117 31.700 -0.728 0.000 0.791 79 T N -0.854 113.705 114.554 0.008 0.000 2.531 79 T HA -0.316 3.030 4.350 -1.674 0.000 0.261 79 T C 1.515 176.239 174.700 0.040 0.000 1.141 79 T CA 1.954 64.071 62.100 0.028 0.000 1.176 79 T CB -1.770 67.120 68.868 0.037 0.000 0.863 79 T HN 0.279 nan 8.240 nan 0.000 0.424 80 E N 1.861 122.096 120.200 0.058 0.000 2.483 80 E HA -0.034 3.312 4.350 -1.674 0.000 0.205 80 E C 0.720 177.349 176.600 0.048 0.000 1.075 80 E CA 0.932 57.366 56.400 0.058 0.000 0.889 80 E CB -0.779 28.965 29.700 0.073 0.000 0.816 80 E HN 0.874 nan 8.360 nan 0.000 0.567 81 I N -4.183 116.416 120.570 0.048 0.000 2.806 81 I HA 0.355 3.521 4.170 -1.674 0.000 0.272 81 I C -0.372 175.795 176.117 0.084 0.000 1.558 81 I CA -0.836 60.497 61.300 0.054 0.000 0.842 81 I CB 0.461 38.494 38.000 0.055 0.000 1.567 81 I HN 0.030 nan 8.210 nan 0.000 0.561 82 C N 3.423 122.761 119.300 0.064 0.000 3.444 82 C HA 0.682 4.138 4.460 -1.674 0.000 0.135 82 C C -0.444 174.567 174.990 0.036 0.000 3.009 82 C CA 1.123 60.184 59.018 0.071 0.000 0.847 82 C CB 0.271 28.111 27.740 0.168 0.000 2.099 82 C HN 2.139 nan 8.230 nan 0.000 0.605 83 A N 1.064 123.902 122.820 0.030 0.000 2.023 83 A HA 0.413 3.729 4.320 -1.674 0.000 0.573 83 A C -0.094 177.488 177.584 -0.002 0.000 0.147 83 A CA 1.060 53.104 52.037 0.012 0.000 0.219 83 A CB -1.598 17.408 19.000 0.010 0.000 3.282 83 A HN 1.885 nan 8.150 nan 0.000 0.488 84 D N -0.357 120.036 120.400 -0.013 0.000 2.746 84 D HA -0.109 3.526 4.640 -1.674 0.000 0.236 84 D C -2.373 173.877 176.300 -0.084 0.000 1.129 84 D CA 1.780 55.764 54.000 -0.026 0.000 0.691 84 D CB -1.060 39.736 40.800 -0.006 0.000 1.077 84 D HN 0.608 nan 8.370 nan 0.000 0.432 85 P HA 0.042 nan 4.420 nan 0.000 0.264 85 P C -0.152 176.766 177.300 -0.637 0.000 1.193 85 P CA 0.225 63.145 63.100 -0.300 0.000 0.763 85 P CB 0.652 32.079 31.700 -0.455 0.000 0.810 86 Q N 1.631 121.251 119.800 -0.299 0.000 2.215 86 Q HA 0.282 3.617 4.340 -1.674 0.000 0.256 86 Q C 0.255 176.336 176.000 0.135 0.000 0.972 86 Q CA -0.488 55.270 55.803 -0.075 0.000 0.889 86 Q CB 0.885 29.644 28.738 0.035 0.000 1.281 86 Q HN 0.393 nan 8.270 nan 0.000 0.456 87 F N 0.844 120.998 119.950 0.340 0.000 2.274 87 F HA 0.340 3.863 4.527 -1.674 0.000 0.288 87 F C 0.453 176.501 175.800 0.413 0.000 1.069 87 F CA 0.366 58.676 58.000 0.516 0.000 1.343 87 F CB 0.677 39.992 39.000 0.525 0.000 1.089 87 F HN 0.473 nan 8.300 nan 0.000 0.517 88 I N 1.340 122.076 120.570 0.276 0.000 2.702 88 I HA 0.252 3.418 4.170 -1.674 0.000 0.287 88 I C -2.024 174.141 176.117 0.080 0.000 1.342 88 I CA -0.953 60.400 61.300 0.088 0.000 1.063 88 I CB 1.572 39.398 38.000 -0.289 0.000 1.331 88 I HN -0.045 nan 8.210 nan 0.000 0.427 89 I N 6.506 127.111 120.570 0.059 0.000 2.411 89 I HA 0.931 4.097 4.170 -1.674 0.000 0.284 89 I C 0.610 176.732 176.117 0.008 0.000 1.012 89 I CA -0.215 61.109 61.300 0.039 0.000 1.119 89 I CB 0.747 38.773 38.000 0.043 0.000 1.261 89 I HN 0.821 nan 8.210 nan 0.000 0.448 90 G N 3.902 112.698 108.800 -0.008 0.000 2.633 90 G HA2 0.150 3.106 3.960 -1.674 0.000 0.263 90 G HA3 0.150 3.106 3.960 -1.674 0.000 0.263 90 G C 0.086 174.963 174.900 -0.039 0.000 1.310 90 G CA -0.228 44.861 45.100 -0.020 0.000 0.914 90 G HN 1.613 nan 8.290 nan 0.000 0.569 91 G N -0.987 107.794 108.800 -0.031 0.000 3.418 91 G HA2 0.805 3.761 3.960 -1.674 0.000 0.325 91 G HA3 0.805 3.761 3.960 -1.674 0.000 0.325 91 G C 0.353 175.239 174.900 -0.023 0.000 1.556 91 G CA 1.019 46.097 45.100 -0.037 0.000 1.047 91 G HN 1.918 nan 8.290 nan 0.000 0.500 92 A N 1.802 124.610 122.820 -0.019 0.000 2.377 92 A HA 0.478 3.794 4.320 -1.674 0.000 0.274 92 A C 1.667 179.237 177.584 -0.023 0.000 1.178 92 A CA 0.979 53.005 52.037 -0.019 0.000 0.836 92 A CB 0.195 19.181 19.000 -0.024 0.000 1.111 92 A HN 0.855 nan 8.150 nan 0.000 0.517 93 T N -1.573 112.970 114.554 -0.018 0.000 3.014 93 T HA 0.240 3.585 4.350 -1.674 0.000 0.250 93 T C 0.681 175.365 174.700 -0.026 0.000 1.060 93 T CA 0.613 62.705 62.100 -0.013 0.000 1.040 93 T CB -0.222 68.648 68.868 0.004 0.000 0.971 93 T HN 0.889 nan 8.240 nan 0.000 0.497 94 R N 0.683 121.157 120.500 -0.044 0.000 2.950 94 R HA 0.705 4.041 4.340 -1.674 0.000 0.253 94 R C 0.850 177.049 176.300 -0.168 0.000 1.168 94 R CA -0.423 55.629 56.100 -0.081 0.000 1.014 94 R CB 0.457 30.746 30.300 -0.019 0.000 1.228 94 R HN 0.003 nan 8.270 nan 0.000 0.487 95 T N -3.384 110.963 114.554 -0.346 0.000 3.031 95 T HA 0.091 3.437 4.350 -1.674 0.000 0.236 95 T C 0.661 175.184 174.700 -0.295 0.000 1.005 95 T CA 1.118 62.961 62.100 -0.429 0.000 1.230 95 T CB -0.408 67.939 68.868 -0.868 0.000 0.913 95 T HN 0.920 nan 8.240 nan 0.000 0.419 96 D N -0.525 119.698 120.400 -0.295 0.000 2.802 96 D HA -0.147 3.489 4.640 -1.674 0.000 0.191 96 D C -0.131 176.168 176.300 -0.002 0.000 0.962 96 D CA 0.560 54.534 54.000 -0.043 0.000 1.004 96 D CB -1.934 38.834 40.800 -0.054 0.000 1.055 96 D HN 0.695 nan 8.370 nan 0.000 0.451 97 I N 0.731 121.241 120.570 -0.100 0.000 2.779 97 I HA 0.404 3.569 4.170 -1.674 0.000 0.285 97 I C 0.462 176.685 176.117 0.178 0.000 1.134 97 I CA 0.478 61.757 61.300 -0.037 0.000 1.398 97 I CB 0.395 38.281 38.000 -0.190 0.000 1.404 97 I HN 0.521 nan 8.210 nan 0.000 0.587 98 C N 4.507 123.789 119.300 -0.030 0.000 3.303 98 C HA 0.463 3.919 4.460 -1.674 0.000 0.340 98 C C -1.014 173.746 174.990 -0.383 0.000 1.274 98 C CA -1.065 57.883 59.018 -0.117 0.000 1.234 98 C CB 1.452 29.140 27.740 -0.088 0.000 1.532 98 C HN 0.697 nan 8.230 nan 0.000 0.483 99 Q N 0.776 120.394 119.800 -0.303 0.000 2.235 99 Q HA 0.665 4.001 4.340 -1.674 0.000 0.256 99 Q C 0.560 176.350 176.000 -0.351 0.000 0.951 99 Q CA 0.471 56.084 55.803 -0.316 0.000 0.890 99 Q CB 1.997 30.631 28.738 -0.172 0.000 1.279 99 Q HN 1.155 nan 8.270 nan 0.000 0.444 100 G N 0.274 108.881 108.800 -0.322 0.000 2.543 100 G HA2 0.439 3.394 3.960 -1.674 0.000 0.267 100 G HA3 0.439 3.394 3.960 -1.674 0.000 0.267 100 G C 0.608 175.370 174.900 -0.230 0.000 1.406 100 G CA 0.155 45.131 45.100 -0.207 0.000 1.048 100 G HN 0.661 nan 8.290 nan 0.000 0.548 101 A N -0.772 121.909 122.820 -0.232 0.000 1.836 101 A HA -0.064 3.252 4.320 -1.674 0.000 0.215 101 A C 2.445 179.864 177.584 -0.276 0.000 1.214 101 A CA 2.132 54.036 52.037 -0.222 0.000 0.636 101 A CB -1.034 17.838 19.000 -0.214 0.000 0.847 101 A HN 0.448 nan 8.150 nan 0.000 0.451 102 L N 0.465 121.430 121.223 -0.430 0.000 2.081 102 L HA -0.048 3.288 4.340 -1.674 0.000 0.212 102 L C 2.001 178.646 176.870 -0.375 0.000 1.080 102 L CA 1.168 55.715 54.840 -0.488 0.000 0.754 102 L CB -1.979 39.568 42.059 -0.852 0.000 0.893 102 L HN 0.484 nan 8.230 nan 0.000 0.433 103 G N -1.186 107.329 108.800 -0.475 0.000 2.760 103 G HA2 -0.009 2.947 3.960 -1.674 0.000 0.236 103 G HA3 -0.009 2.947 3.960 -1.674 0.000 0.236 103 G C 0.136 175.055 174.900 0.031 0.000 1.243 103 G CA 0.205 45.299 45.100 -0.010 0.000 0.850 103 G HN 0.306 nan 8.290 nan 0.000 0.595 104 D N -1.889 118.563 120.400 0.086 0.000 2.279 104 D HA 0.259 3.894 4.640 -1.674 0.000 0.285 104 D C 1.698 177.996 176.300 -0.004 0.000 1.167 104 D CA 1.263 55.301 54.000 0.063 0.000 1.064 104 D CB 0.553 41.426 40.800 0.122 0.000 1.108 104 D HN 0.652 nan 8.370 nan 0.000 0.428 105 C N -2.134 117.159 119.300 -0.011 0.000 4.851 105 C HA 0.220 3.676 4.460 -1.674 0.000 0.365 105 C C 1.739 176.758 174.990 0.048 0.000 1.815 105 C CA -0.515 58.498 59.018 -0.008 0.000 1.817 105 C CB -1.379 26.376 27.740 0.026 0.000 2.568 105 C HN 0.786 nan 8.230 nan 0.000 0.561 106 W N 1.542 122.853 121.300 0.018 0.000 2.800 106 W HA 0.295 3.952 4.660 -1.672 0.000 0.249 106 W C 1.248 177.778 176.519 0.019 0.000 1.294 106 W CA -0.009 57.339 57.345 0.006 0.000 1.402 106 W CB -0.742 28.707 29.460 -0.018 0.000 1.126 106 W HN 0.154 nan 8.180 nan 0.000 0.652 107 L N 1.032 121.862 121.223 -0.655 0.000 2.109 107 L HA -0.175 3.160 4.340 -1.674 0.000 0.207 107 L C 2.613 179.363 176.870 -0.198 0.000 1.086 107 L CA 1.058 55.481 54.840 -0.696 0.000 0.760 107 L CB -1.352 40.291 42.059 -0.692 0.000 0.910 107 L HN 0.008 nan 8.230 nan 0.000 0.437 108 L N 0.190 121.360 121.223 -0.088 0.000 2.013 108 L HA -0.207 3.129 4.340 -1.674 0.000 0.212 108 L C 2.838 179.812 176.870 0.173 0.000 1.073 108 L CA 2.244 57.128 54.840 0.074 0.000 0.753 108 L CB -1.840 40.302 42.059 0.137 0.000 0.890 108 L HN 0.206 nan 8.230 nan 0.000 0.432 109 A N -0.817 122.116 122.820 0.187 0.000 1.872 109 A HA -0.008 3.308 4.320 -1.674 0.000 0.214 109 A C 2.509 180.264 177.584 0.285 0.000 1.187 109 A CA 1.577 53.745 52.037 0.218 0.000 0.614 109 A CB -0.781 18.325 19.000 0.177 0.000 0.826 109 A HN 0.373 nan 8.150 nan 0.000 0.442 110 A N 0.123 123.158 122.820 0.358 0.000 1.883 110 A HA -0.132 3.184 4.320 -1.674 0.000 0.217 110 A C 2.141 179.891 177.584 0.277 0.000 1.186 110 A CA 1.697 54.037 52.037 0.505 0.000 0.624 110 A CB -0.644 18.632 19.000 0.460 0.000 0.822 110 A HN 0.507 nan 8.150 nan 0.000 0.444 111 I N -0.608 120.042 120.570 0.133 0.000 2.233 111 I HA -0.228 2.938 4.170 -1.674 0.000 0.243 111 I C 3.034 179.198 176.117 0.078 0.000 1.093 111 I CA 0.858 62.191 61.300 0.054 0.000 1.380 111 I CB -0.646 37.280 38.000 -0.123 0.000 1.067 111 I HN 0.376 nan 8.210 nan 0.000 0.413 112 A N 1.158 123.974 122.820 -0.006 0.000 1.881 112 A HA -0.317 2.999 4.320 -1.674 0.000 0.219 112 A C 2.505 180.089 177.584 0.000 0.000 1.215 112 A CA 2.951 54.909 52.037 -0.132 0.000 0.648 112 A CB -1.170 17.668 19.000 -0.270 0.000 0.832 112 A HN 0.464 nan 8.150 nan 0.000 0.455 113 S N 0.129 115.918 115.700 0.147 0.000 2.368 113 S HA -0.245 3.221 4.470 -1.674 0.000 0.226 113 S C 1.835 176.540 174.600 0.175 0.000 1.044 113 S CA 1.747 60.079 58.200 0.219 0.000 1.062 113 S CB -0.812 62.701 63.200 0.521 0.000 0.931 113 S HN 0.479 nan 8.310 nan 0.000 0.440 114 L N 1.211 122.537 121.223 0.172 0.000 2.010 114 L HA -0.251 3.085 4.340 -1.674 0.000 0.219 114 L C 2.814 179.698 176.870 0.024 0.000 1.077 114 L CA 1.846 56.728 54.840 0.070 0.000 0.773 114 L CB -1.689 40.400 42.059 0.049 0.000 0.892 114 L HN 0.390 nan 8.230 nan 0.000 0.436 115 T N 0.386 114.987 114.554 0.077 0.000 2.624 115 T HA -0.236 3.110 4.350 -1.674 0.000 0.268 115 T C 1.555 176.242 174.700 -0.022 0.000 1.041 115 T CA 1.494 63.620 62.100 0.042 0.000 1.159 115 T CB -0.469 68.437 68.868 0.063 0.000 0.863 115 T HN 0.266 nan 8.240 nan 0.000 0.434 116 L N 1.139 122.352 121.223 -0.016 0.000 2.660 116 L HA 0.266 3.602 4.340 -1.674 0.000 0.238 116 L C -0.471 176.395 176.870 -0.007 0.000 1.161 116 L CA 0.014 54.842 54.840 -0.021 0.000 0.937 116 L CB -0.785 41.256 42.059 -0.030 0.000 1.122 116 L HN 0.254 nan 8.230 nan 0.000 0.435 117 N N -0.949 117.747 118.700 -0.007 0.000 2.732 117 N HA 0.048 3.784 4.740 -1.674 0.000 0.247 117 N C 0.486 175.978 175.510 -0.030 0.000 1.305 117 N CA -0.343 52.706 53.050 -0.003 0.000 0.762 117 N CB 0.819 39.318 38.487 0.019 0.000 1.361 117 N HN 0.116 nan 8.380 nan 0.000 0.545 118 E N 0.386 120.557 120.200 -0.048 0.000 2.333 118 E HA -0.220 3.126 4.350 -1.674 0.000 0.198 118 E C 1.016 177.568 176.600 -0.080 0.000 1.007 118 E CA 1.225 57.574 56.400 -0.086 0.000 0.845 118 E CB 0.286 29.937 29.700 -0.081 0.000 0.766 118 E HN 0.647 nan 8.360 nan 0.000 0.507 119 E N -0.275 119.897 120.200 -0.046 0.000 2.385 119 E HA -0.021 3.325 4.350 -1.674 0.000 0.194 119 E C 1.416 177.992 176.600 -0.039 0.000 1.013 119 E CA 0.174 56.548 56.400 -0.042 0.000 0.866 119 E CB 0.191 29.878 29.700 -0.023 0.000 0.832 119 E HN 0.310 nan 8.360 nan 0.000 0.500 120 I N 0.973 121.530 120.570 -0.022 0.000 2.439 120 I HA -0.185 2.981 4.170 -1.674 0.000 0.251 120 I C 2.178 178.286 176.117 -0.016 0.000 1.139 120 I CA 0.764 62.069 61.300 0.009 0.000 1.438 120 I CB -0.128 37.901 38.000 0.048 0.000 1.085 120 I HN 0.151 nan 8.210 nan 0.000 0.427 121 L N -0.078 121.099 121.223 -0.076 0.000 2.478 121 L HA 0.028 3.364 4.340 -1.674 0.000 0.223 121 L C 2.322 179.107 176.870 -0.141 0.000 1.140 121 L CA 0.695 55.444 54.840 -0.152 0.000 0.842 121 L CB -0.185 41.694 42.059 -0.300 0.000 0.953 121 L HN 0.204 nan 8.230 nan 0.000 0.452 122 A N -0.446 122.314 122.820 -0.099 0.000 2.119 122 A HA -0.062 3.254 4.320 -1.674 0.000 0.216 122 A C 2.160 179.722 177.584 -0.037 0.000 1.152 122 A CA 0.562 52.551 52.037 -0.081 0.000 0.708 122 A CB -0.278 18.682 19.000 -0.068 0.000 0.805 122 A HN 0.340 nan 8.150 nan 0.000 0.460 123 R N -0.393 120.099 120.500 -0.015 0.000 2.093 123 R HA -0.008 3.328 4.340 -1.674 0.000 0.224 123 R C 1.924 178.246 176.300 0.036 0.000 1.101 123 R CA 1.522 57.653 56.100 0.052 0.000 0.979 123 R CB -0.788 29.518 30.300 0.009 0.000 0.877 123 R HN 0.469 nan 8.270 nan 0.000 0.441 124 V N 0.756 120.710 119.914 0.066 0.000 2.341 124 V HA 0.016 3.132 4.120 -1.674 0.000 0.240 124 V C 1.210 177.342 176.094 0.063 0.000 1.035 124 V CA 0.679 63.049 62.300 0.118 0.000 1.033 124 V CB -0.241 31.634 31.823 0.085 0.000 0.678 124 V HN -0.126 nan 8.190 nan 0.000 0.464 125 V N 1.585 121.521 119.914 0.037 0.000 2.383 125 V HA 0.316 3.432 4.120 -1.674 0.000 0.275 125 V C -2.533 173.512 176.094 -0.080 0.000 1.036 125 V CA -1.589 60.755 62.300 0.074 0.000 0.889 125 V CB 0.769 32.620 31.823 0.046 0.000 0.985 125 V HN 0.327 nan 8.190 nan 0.000 0.459 126 P HA 0.216 nan 4.420 nan 0.000 0.230 126 P C -0.135 177.139 177.300 -0.043 0.000 1.791 126 P CA -0.486 62.481 63.100 -0.221 0.000 1.020 126 P CB -0.052 31.321 31.700 -0.544 0.000 1.977 127 L N 2.581 123.808 121.223 0.007 0.000 2.919 127 L HA -0.116 3.220 4.340 -1.674 0.000 0.289 127 L C 0.881 177.791 176.870 0.067 0.000 1.050 127 L CA 1.471 56.353 54.840 0.070 0.000 1.071 127 L CB -1.163 40.892 42.059 -0.006 0.000 1.499 127 L HN 0.325 nan 8.230 nan 0.000 0.443 128 N N 2.102 120.865 118.700 0.104 0.000 3.721 128 N HA 0.025 3.761 4.740 -1.674 0.000 0.122 128 N C -1.156 174.392 175.510 0.063 0.000 0.915 128 N CA -0.235 52.862 53.050 0.078 0.000 3.012 128 N CB 0.228 38.750 38.487 0.059 0.000 1.323 128 N HN 0.646 nan 8.380 nan 0.000 0.795 129 Q N -0.095 119.745 119.800 0.067 0.000 2.501 129 Q HA 0.787 4.123 4.340 -1.674 0.000 0.288 129 Q C -0.879 175.229 176.000 0.181 0.000 1.051 129 Q CA -0.945 54.849 55.803 -0.015 0.000 0.788 129 Q CB 2.461 31.005 28.738 -0.323 0.000 1.469 129 Q HN 0.245 nan 8.270 nan 0.000 0.416 130 S N -0.613 115.250 115.700 0.273 0.000 2.633 130 S HA 0.417 3.883 4.470 -1.674 0.000 0.271 130 S C -1.147 173.732 174.600 0.465 0.000 1.112 130 S CA -0.703 57.796 58.200 0.498 0.000 0.828 130 S CB 0.087 63.491 63.200 0.341 0.000 1.086 130 S HN 0.466 nan 8.310 nan 0.000 0.461 131 F N 0.930 121.035 119.950 0.258 0.000 2.773 131 F HA 0.390 3.913 4.527 -1.674 0.000 0.304 131 F C 1.982 177.779 175.800 -0.005 0.000 1.129 131 F CA -0.023 57.998 58.000 0.035 0.000 1.378 131 F CB -0.215 38.718 39.000 -0.112 0.000 1.095 131 F HN 0.520 nan 8.300 nan 0.000 0.565 132 Q N -0.427 119.522 119.800 0.247 0.000 2.471 132 Q HA 0.135 3.471 4.340 -1.674 0.000 0.259 132 Q C 0.029 176.102 176.000 0.122 0.000 0.850 132 Q CA 0.402 56.299 55.803 0.157 0.000 0.981 132 Q CB 0.429 29.245 28.738 0.131 0.000 1.180 132 Q HN 0.278 nan 8.270 nan 0.000 0.571 133 E N 1.588 121.855 120.200 0.111 0.000 1.993 133 E HA 0.286 3.632 4.350 -1.674 0.000 0.271 133 E C -0.978 175.631 176.600 0.016 0.000 1.008 133 E CA -0.191 56.243 56.400 0.057 0.000 0.814 133 E CB 0.079 29.810 29.700 0.051 0.000 1.098 133 E HN 0.238 nan 8.360 nan 0.000 0.407 134 N N 2.059 120.753 118.700 -0.009 0.000 2.862 134 N HA -0.223 3.513 4.740 -1.674 0.000 0.246 134 N C -1.253 174.175 175.510 -0.137 0.000 1.111 134 N CA -0.024 52.971 53.050 -0.092 0.000 0.688 134 N CB -0.797 37.602 38.487 -0.146 0.000 1.018 134 N HN 0.482 nan 8.380 nan 0.000 0.556 135 Y N 0.395 120.598 120.300 -0.163 0.000 2.336 135 Y HA 0.530 4.075 4.550 -1.674 0.000 0.335 135 Y C 0.643 176.423 175.900 -0.200 0.000 1.046 135 Y CA 0.451 58.417 58.100 -0.223 0.000 1.198 135 Y CB 1.115 39.502 38.460 -0.123 0.000 1.182 135 Y HN 0.174 nan 8.280 nan 0.000 0.502 136 A N 3.711 125.888 122.820 -1.072 0.000 2.600 136 A HA 0.452 3.768 4.320 -1.674 0.000 0.252 136 A C 1.033 178.107 177.584 -0.851 0.000 1.200 136 A CA 0.172 51.752 52.037 -0.762 0.000 0.981 136 A CB -0.584 18.122 19.000 -0.491 0.000 1.207 136 A HN 1.729 nan 8.150 nan 0.000 0.577 137 G N 0.078 107.964 108.800 -1.523 0.000 2.303 137 G HA2 -0.116 2.840 3.960 -1.674 0.000 0.260 137 G HA3 -0.116 2.840 3.960 -1.674 0.000 0.260 137 G C -0.228 174.582 174.900 -0.151 0.000 1.106 137 G CA 0.415 45.135 45.100 -0.633 0.000 0.900 137 G HN 1.466 nan 8.290 nan 0.000 0.495 138 I N -1.146 119.181 120.570 -0.405 0.000 2.731 138 I HA 0.771 3.937 4.170 -1.674 0.000 0.289 138 I C -1.206 174.664 176.117 -0.412 0.000 1.399 138 I CA -1.311 59.909 61.300 -0.133 0.000 1.048 138 I CB 1.096 38.907 38.000 -0.315 0.000 1.345 138 I HN -0.028 nan 8.210 nan 0.000 0.425 139 F N 5.272 125.243 119.950 0.036 0.000 2.664 139 F HA 0.709 4.231 4.527 -1.674 0.000 0.329 139 F C -0.340 175.264 175.800 -0.326 0.000 1.090 139 F CA -0.438 57.420 58.000 -0.236 0.000 0.978 139 F CB 1.487 40.323 39.000 -0.274 0.000 1.378 139 F HN 0.542 nan 8.300 nan 0.000 0.495 140 H N -1.028 117.557 119.070 -0.807 0.000 2.985 140 H HA 0.757 4.309 4.556 -1.674 0.000 0.360 140 H C -2.072 172.614 175.328 -1.070 0.000 1.221 140 H CA -2.317 53.303 56.048 -0.712 0.000 1.121 140 H CB 1.402 30.728 29.762 -0.727 0.000 1.854 140 H HN 0.406 nan 8.280 nan 0.000 0.551 141 F N -0.715 119.024 119.950 -0.353 0.000 2.645 141 F HA 0.432 3.954 4.527 -1.674 0.000 0.310 141 F C -0.421 175.037 175.800 -0.569 0.000 1.102 141 F CA -0.812 56.890 58.000 -0.497 0.000 0.952 141 F CB 2.145 40.826 39.000 -0.531 0.000 1.326 141 F HN 0.418 nan 8.300 nan 0.000 0.456 142 Q N 1.694 121.336 119.800 -0.263 0.000 2.293 142 Q HA 0.631 3.967 4.340 -1.674 0.000 0.261 142 Q C -1.645 174.550 176.000 0.324 0.000 0.960 142 Q CA -0.483 55.287 55.803 -0.056 0.000 0.882 142 Q CB 2.586 31.212 28.738 -0.187 0.000 1.275 142 Q HN 0.595 nan 8.270 nan 0.000 0.445 143 F N 0.737 121.039 119.950 0.586 0.000 2.565 143 F HA 0.355 3.877 4.527 -1.674 0.000 0.313 143 F C -0.560 175.394 175.800 0.256 0.000 1.091 143 F CA -1.257 57.065 58.000 0.537 0.000 0.915 143 F CB 1.678 40.914 39.000 0.394 0.000 1.208 143 F HN 0.574 nan 8.300 nan 0.000 0.453 144 W N 4.693 125.796 121.300 -0.328 0.000 2.316 144 W HA 0.453 4.109 4.660 -1.673 0.000 0.311 144 W C -1.201 175.076 176.519 -0.404 0.000 1.217 144 W CA -0.175 56.590 57.345 -0.965 0.000 1.199 144 W CB 0.798 29.459 29.460 -1.333 0.000 1.202 144 W HN 0.385 nan 8.180 nan 0.000 0.528 145 Q N 5.946 125.198 119.800 -0.914 0.000 2.263 145 Q HA 0.066 3.402 4.340 -1.674 0.000 0.266 145 Q C -0.996 174.364 176.000 -1.065 0.000 1.002 145 Q CA -1.022 54.258 55.803 -0.873 0.000 0.790 145 Q CB 1.771 30.364 28.738 -0.241 0.000 1.272 145 Q HN 0.732 nan 8.270 nan 0.000 0.435 146 Y N 0.838 120.485 120.300 -1.089 0.000 3.414 146 Y HA -0.350 3.198 4.550 -1.671 0.000 0.214 146 Y C 1.146 176.619 175.900 -0.713 0.000 1.153 146 Y CA 1.321 59.000 58.100 -0.701 0.000 1.363 146 Y CB -1.802 36.468 38.460 -0.317 0.000 1.370 146 Y HN 1.052 nan 8.280 nan 0.000 0.605 147 G N -1.024 107.054 108.800 -1.204 0.000 2.205 147 G HA2 -0.100 2.856 3.960 -1.674 0.000 0.180 147 G HA3 -0.100 2.856 3.960 -1.674 0.000 0.180 147 G C -0.246 174.357 174.900 -0.494 0.000 1.004 147 G CA -0.154 44.614 45.100 -0.553 0.000 0.670 147 G HN 0.801 nan 8.290 nan 0.000 0.496 148 E N -0.942 118.833 120.200 -0.707 0.000 2.363 148 E HA 0.451 3.797 4.350 -1.674 0.000 0.281 148 E C -1.129 175.265 176.600 -0.343 0.000 0.953 148 E CA -1.454 54.742 56.400 -0.340 0.000 0.778 148 E CB 0.734 30.357 29.700 -0.129 0.000 1.220 148 E HN 0.172 nan 8.360 nan 0.000 0.431 149 W N 2.302 123.600 121.300 -0.003 0.000 2.368 149 W HA 0.360 4.017 4.660 -1.672 0.000 0.316 149 W C -0.284 176.263 176.519 0.046 0.000 1.375 149 W CA -0.265 57.126 57.345 0.076 0.000 1.261 149 W CB 0.893 30.425 29.460 0.119 0.000 1.298 149 W HN 0.238 nan 8.180 nan 0.000 0.539 150 V N 3.087 123.175 119.914 0.290 0.000 2.547 150 V HA 0.304 3.419 4.120 -1.674 0.000 0.299 150 V C -0.210 175.998 176.094 0.190 0.000 1.040 150 V CA -1.348 61.080 62.300 0.212 0.000 0.913 150 V CB 1.637 33.570 31.823 0.184 0.000 0.992 150 V HN 0.470 nan 8.190 nan 0.000 0.449 151 E N 2.778 123.057 120.200 0.132 0.000 2.129 151 E HA 0.569 3.915 4.350 -1.674 0.000 0.268 151 E C -1.437 175.215 176.600 0.086 0.000 0.900 151 E CA -0.493 55.937 56.400 0.050 0.000 0.755 151 E CB 1.677 31.391 29.700 0.023 0.000 1.117 151 E HN 0.557 nan 8.360 nan 0.000 0.410 152 V N 4.289 124.217 119.914 0.022 0.000 2.394 152 V HA 0.342 3.458 4.120 -1.674 0.000 0.282 152 V C -0.020 176.178 176.094 0.174 0.000 1.031 152 V CA -0.944 61.416 62.300 0.100 0.000 0.881 152 V CB 1.409 33.237 31.823 0.008 0.000 0.982 152 V HN 0.474 nan 8.190 nan 0.000 0.451 153 V N 5.382 125.426 119.914 0.216 0.000 2.394 153 V HA 0.603 3.719 4.120 -1.674 0.000 0.282 153 V C -0.166 176.150 176.094 0.370 0.000 1.031 153 V CA -0.146 62.282 62.300 0.214 0.000 0.881 153 V CB 1.795 33.678 31.823 0.099 0.000 0.982 153 V HN 0.679 nan 8.190 nan 0.000 0.451 154 V N 4.784 124.970 119.914 0.455 0.000 3.049 154 V HA 0.569 3.685 4.120 -1.674 0.000 0.309 154 V C -1.250 175.244 176.094 0.667 0.000 1.148 154 V CA -0.721 61.934 62.300 0.592 0.000 0.990 154 V CB 2.743 34.880 31.823 0.523 0.000 1.039 154 V HN 1.057 nan 8.190 nan 0.000 0.430 155 D N 1.413 122.174 120.400 0.600 0.000 2.294 155 D HA 0.290 3.926 4.640 -1.674 0.000 0.250 155 D C 0.138 176.709 176.300 0.451 0.000 1.058 155 D CA -0.389 53.914 54.000 0.506 0.000 0.950 155 D CB 1.289 42.179 40.800 0.151 0.000 1.158 155 D HN 0.618 nan 8.370 nan 0.000 0.453 156 D N -0.904 119.759 120.400 0.439 0.000 2.323 156 D HA 0.041 3.677 4.640 -1.674 0.000 0.239 156 D C -0.113 176.397 176.300 0.349 0.000 1.129 156 D CA -0.367 53.888 54.000 0.425 0.000 0.865 156 D CB -0.361 40.718 40.800 0.466 0.000 0.913 156 D HN 0.144 nan 8.370 nan 0.000 0.517 157 R N 0.621 121.336 120.500 0.358 0.000 2.351 157 R HA 0.350 3.685 4.340 -1.674 0.000 0.318 157 R C -0.250 176.369 176.300 0.531 0.000 1.055 157 R CA 0.056 56.408 56.100 0.420 0.000 0.968 157 R CB 0.464 31.023 30.300 0.432 0.000 0.974 157 R HN 0.217 nan 8.270 nan 0.000 0.439 158 L N 5.456 126.857 121.223 0.298 0.000 2.334 158 L HA 0.511 3.847 4.340 -1.674 0.000 0.273 158 L C -2.160 174.548 176.870 -0.269 0.000 1.013 158 L CA -2.584 52.312 54.840 0.093 0.000 0.816 158 L CB 2.109 44.250 42.059 0.136 0.000 1.278 158 L HN 0.333 nan 8.230 nan 0.000 0.431 159 P HA 0.139 nan 4.420 nan 0.000 0.286 159 P C -0.514 176.558 177.300 -0.380 0.000 1.321 159 P CA -0.192 62.380 63.100 -0.879 0.000 0.790 159 P CB 0.900 32.041 31.700 -0.930 0.000 0.897 160 T N 0.499 114.879 114.554 -0.290 0.000 2.819 160 T HA 0.695 4.040 4.350 -1.674 0.000 0.271 160 T C -0.689 173.918 174.700 -0.154 0.000 0.986 160 T CA -0.837 61.165 62.100 -0.164 0.000 0.989 160 T CB 1.377 70.194 68.868 -0.085 0.000 1.396 160 T HN 0.244 nan 8.240 nan 0.000 0.597 161 K N 0.445 120.781 120.400 -0.107 0.000 2.335 161 K HA 0.261 3.576 4.320 -1.674 0.000 0.365 161 K C -1.777 174.781 176.600 -0.069 0.000 1.490 161 K CA -0.299 55.936 56.287 -0.087 0.000 1.129 161 K CB -0.061 32.374 32.500 -0.108 0.000 1.406 161 K HN 0.762 nan 8.250 nan 0.000 0.487 162 D N 2.750 123.121 120.400 -0.047 0.000 2.798 162 D HA -0.122 3.514 4.640 -1.674 0.000 0.237 162 D C 0.662 176.936 176.300 -0.042 0.000 1.092 162 D CA 1.757 55.734 54.000 -0.040 0.000 0.727 162 D CB -1.490 39.284 40.800 -0.044 0.000 1.087 162 D HN 1.083 nan 8.370 nan 0.000 0.437 163 G N -0.585 108.193 108.800 -0.037 0.000 2.200 163 G HA2 -0.365 2.591 3.960 -1.674 0.000 0.268 163 G HA3 -0.365 2.591 3.960 -1.674 0.000 0.268 163 G C 0.034 174.899 174.900 -0.058 0.000 0.986 163 G CA 0.955 46.034 45.100 -0.035 0.000 0.677 163 G HN 0.472 nan 8.290 nan 0.000 0.532 164 E N -0.281 119.875 120.200 -0.073 0.000 2.175 164 E HA 0.506 3.852 4.350 -1.674 0.000 0.278 164 E C -0.038 176.505 176.600 -0.096 0.000 0.969 164 E CA -0.986 55.357 56.400 -0.095 0.000 0.796 164 E CB 1.578 31.229 29.700 -0.081 0.000 1.104 164 E HN 0.095 nan 8.360 nan 0.000 0.395 165 L N 3.307 124.474 121.223 -0.094 0.000 2.361 165 L HA 0.069 3.404 4.340 -1.674 0.000 0.278 165 L C 1.487 178.357 176.870 -0.000 0.000 1.113 165 L CA 0.384 55.221 54.840 -0.005 0.000 0.849 165 L CB 0.207 42.323 42.059 0.096 0.000 1.155 165 L HN 0.500 nan 8.230 nan 0.000 0.452 166 L N 2.520 123.622 121.223 -0.201 0.000 2.478 166 L HA 0.044 3.380 4.340 -1.674 0.000 0.223 166 L C 0.509 176.921 176.870 -0.764 0.000 1.140 166 L CA 0.688 55.231 54.840 -0.495 0.000 0.842 166 L CB -0.363 41.265 42.059 -0.718 0.000 0.953 166 L HN 0.465 nan 8.230 nan 0.000 0.452 167 F N -1.459 118.382 119.950 -0.181 0.000 3.103 167 F HA 0.295 3.818 4.527 -1.673 0.000 0.165 167 F C 0.484 176.180 175.800 -0.173 0.000 1.556 167 F CA -0.575 57.306 58.000 -0.198 0.000 0.907 167 F CB -0.078 38.750 39.000 -0.286 0.000 1.988 167 F HN -0.556 nan 8.300 nan 0.000 0.364 168 V N 1.353 121.351 119.914 0.140 0.000 2.455 168 V HA 0.328 3.444 4.120 -1.674 0.000 0.273 168 V C -0.939 175.139 176.094 -0.025 0.000 1.045 168 V CA 0.228 62.495 62.300 -0.055 0.000 0.976 168 V CB -0.272 31.501 31.823 -0.084 0.000 0.993 168 V HN 0.762 nan 8.190 nan 0.000 0.475 169 H N 2.540 121.550 119.070 -0.101 0.000 2.933 169 H HA 0.673 4.225 4.556 -1.674 0.000 0.310 169 H C -0.574 174.641 175.328 -0.188 0.000 1.351 169 H CA -0.547 55.410 56.048 -0.152 0.000 1.137 169 H CB 1.306 31.007 29.762 -0.102 0.000 1.853 169 H HN 0.450 nan 8.280 nan 0.000 0.539 170 S N -0.648 115.087 115.700 0.058 0.000 2.578 170 S HA 0.575 4.040 4.470 -1.674 0.000 0.283 170 S C 1.203 175.848 174.600 0.076 0.000 1.195 170 S CA -0.176 58.004 58.200 -0.035 0.000 1.050 170 S CB 0.832 63.902 63.200 -0.217 0.000 1.012 170 S HN 0.993 nan 8.310 nan 0.000 0.511 171 A N 2.944 125.796 122.820 0.054 0.000 1.898 171 A HA 0.027 3.342 4.320 -1.674 0.000 0.216 171 A C 1.630 179.193 177.584 -0.035 0.000 1.181 171 A CA 1.345 53.412 52.037 0.050 0.000 0.620 171 A CB -0.649 18.386 19.000 0.059 0.000 0.819 171 A HN 0.916 nan 8.150 nan 0.000 0.442 172 E N -0.270 119.892 120.200 -0.063 0.000 2.311 172 E HA 0.365 3.711 4.350 -1.674 0.000 0.198 172 E C 1.099 177.612 176.600 -0.145 0.000 1.115 172 E CA 0.118 56.466 56.400 -0.087 0.000 1.140 172 E CB -0.837 28.825 29.700 -0.064 0.000 1.204 172 E HN 0.618 nan 8.360 nan 0.000 0.446 173 G N 0.577 109.253 108.800 -0.208 0.000 2.602 173 G HA2 -0.487 2.469 3.960 -1.674 0.000 0.306 173 G HA3 -0.487 2.469 3.960 -1.674 0.000 0.306 173 G C 0.728 175.391 174.900 -0.396 0.000 1.301 173 G CA 0.153 45.070 45.100 -0.304 0.000 0.974 173 G HN 0.510 nan 8.290 nan 0.000 0.547 174 S N -1.264 114.236 115.700 -0.332 0.000 4.151 174 S HA -0.298 3.168 4.470 -1.674 0.000 0.533 174 S C 0.939 175.287 174.600 -0.421 0.000 1.753 174 S CA 2.578 60.617 58.200 -0.267 0.000 4.124 174 S CB -1.215 61.894 63.200 -0.152 0.000 0.941 174 S HN 1.071 nan 8.310 nan 0.000 0.454 175 E N 0.187 120.155 120.200 -0.387 0.000 2.360 175 E HA 0.286 3.632 4.350 -1.674 0.000 0.269 175 E C -0.171 176.079 176.600 -0.583 0.000 1.022 175 E CA 0.312 56.540 56.400 -0.286 0.000 0.887 175 E CB 0.243 29.871 29.700 -0.120 0.000 0.990 175 E HN 0.497 nan 8.360 nan 0.000 0.426 176 F N 0.897 120.800 119.950 -0.079 0.000 2.856 176 F HA 0.048 3.571 4.527 -1.674 0.000 0.338 176 F C 1.585 177.303 175.800 -0.137 0.000 1.100 176 F CA -0.753 57.211 58.000 -0.060 0.000 1.150 176 F CB 0.153 39.246 39.000 0.155 0.000 1.101 176 F HN 0.655 nan 8.300 nan 0.000 0.548 177 W N 0.554 121.677 121.300 -0.295 0.000 2.308 177 W HA -0.266 3.389 4.660 -1.674 0.000 0.301 177 W C 1.999 178.408 176.519 -0.184 0.000 1.220 177 W CA 1.357 58.305 57.345 -0.660 0.000 1.240 177 W CB -1.562 27.291 29.460 -1.012 0.000 1.142 177 W HN 0.149 nan 8.180 nan 0.000 0.521 178 S N 2.412 117.524 115.700 -0.979 0.000 2.426 178 S HA -0.205 3.261 4.470 -1.674 0.000 0.220 178 S C 2.338 176.742 174.600 -0.326 0.000 1.040 178 S CA 2.997 60.639 58.200 -0.929 0.000 1.094 178 S CB -1.145 61.473 63.200 -0.970 0.000 1.072 178 S HN 0.395 nan 8.310 nan 0.000 0.415 179 A N 1.061 123.801 122.820 -0.134 0.000 2.054 179 A HA -0.083 3.232 4.320 -1.674 0.000 0.223 179 A C 2.293 179.964 177.584 0.145 0.000 1.169 179 A CA 1.904 53.988 52.037 0.079 0.000 0.655 179 A CB -0.870 18.266 19.000 0.227 0.000 0.812 179 A HN 0.627 nan 8.150 nan 0.000 0.462 180 L N -1.503 119.812 121.223 0.154 0.000 2.084 180 L HA 0.002 3.338 4.340 -1.674 0.000 0.202 180 L C 2.486 179.264 176.870 -0.154 0.000 1.074 180 L CA 1.068 56.047 54.840 0.231 0.000 0.757 180 L CB -0.553 41.825 42.059 0.533 0.000 0.918 180 L HN 0.510 nan 8.230 nan 0.000 0.444 181 L N -0.096 120.818 121.223 -0.515 0.000 2.263 181 L HA -0.247 3.089 4.340 -1.674 0.000 0.216 181 L C 2.419 179.082 176.870 -0.345 0.000 1.111 181 L CA 1.495 55.704 54.840 -1.053 0.000 0.773 181 L CB -0.190 41.543 42.059 -0.543 0.000 0.906 181 L HN 0.377 nan 8.230 nan 0.000 0.439 182 E N 0.009 120.108 120.200 -0.169 0.000 2.190 182 E HA -0.229 3.117 4.350 -1.674 0.000 0.191 182 E C 2.068 178.642 176.600 -0.043 0.000 0.978 182 E CA 0.557 56.929 56.400 -0.047 0.000 0.839 182 E CB 0.124 29.821 29.700 -0.006 0.000 0.787 182 E HN 0.515 nan 8.360 nan 0.000 0.473 183 K N 0.479 120.901 120.400 0.036 0.000 2.097 183 K HA -0.098 3.218 4.320 -1.674 0.000 0.205 183 K C 2.001 178.633 176.600 0.053 0.000 1.050 183 K CA 0.987 57.306 56.287 0.053 0.000 0.938 183 K CB -0.087 32.609 32.500 0.326 0.000 0.718 183 K HN 0.069 nan 8.250 nan 0.000 0.442 184 A N 0.932 123.795 122.820 0.072 0.000 1.834 184 A HA -0.249 3.066 4.320 -1.674 0.000 0.216 184 A C 2.046 179.734 177.584 0.173 0.000 1.203 184 A CA 1.739 53.849 52.037 0.123 0.000 0.621 184 A CB -1.394 17.595 19.000 -0.018 0.000 0.841 184 A HN 0.557 nan 8.150 nan 0.000 0.446 185 Y N 0.458 120.877 120.300 0.198 0.000 2.219 185 Y HA -0.268 3.278 4.550 -1.674 0.000 0.283 185 Y C 2.651 178.465 175.900 -0.145 0.000 1.191 185 Y CA 1.674 59.781 58.100 0.011 0.000 1.199 185 Y CB -0.234 38.159 38.460 -0.112 0.000 0.972 185 Y HN 0.357 nan 8.280 nan 0.000 0.527 186 A N -0.196 122.523 122.820 -0.169 0.000 1.930 186 A HA -0.190 3.126 4.320 -1.674 0.000 0.217 186 A C 2.224 179.540 177.584 -0.446 0.000 1.175 186 A CA 1.704 53.551 52.037 -0.317 0.000 0.627 186 A CB -0.637 17.962 19.000 -0.668 0.000 0.815 186 A HN 0.516 nan 8.150 nan 0.000 0.443 187 K N -0.458 119.525 120.400 -0.695 0.000 1.985 187 K HA -0.124 3.192 4.320 -1.674 0.000 0.210 187 K C 1.880 178.053 176.600 -0.712 0.000 1.047 187 K CA 1.522 57.041 56.287 -1.280 0.000 0.932 187 K CB -0.303 31.622 32.500 -0.958 0.000 0.716 187 K HN 0.309 nan 8.250 nan 0.000 0.439 188 I N 2.380 122.572 120.570 -0.629 0.000 2.248 188 I HA -0.272 2.893 4.170 -1.674 0.000 0.248 188 I C 0.909 176.724 176.117 -0.503 0.000 1.107 188 I CA 1.729 62.579 61.300 -0.750 0.000 1.373 188 I CB -0.879 36.788 38.000 -0.555 0.000 1.055 188 I HN 0.271 nan 8.210 nan 0.000 0.418 189 N N 0.491 118.892 118.700 -0.499 0.000 2.461 189 N HA 0.098 3.834 4.740 -1.674 0.000 0.188 189 N C 1.213 176.599 175.510 -0.207 0.000 1.134 189 N CA 0.856 53.684 53.050 -0.370 0.000 0.878 189 N CB 0.193 38.462 38.487 -0.364 0.000 0.972 189 N HN 0.501 nan 8.380 nan 0.000 0.456 190 G N -0.256 108.412 108.800 -0.221 0.000 2.205 190 G HA2 -0.301 2.655 3.960 -1.674 0.000 0.261 190 G HA3 -0.301 2.655 3.960 -1.674 0.000 0.261 190 G C 0.212 175.194 174.900 0.137 0.000 0.980 190 G CA 0.301 45.362 45.100 -0.066 0.000 0.632 190 G HN 0.771 nan 8.290 nan 0.000 0.533 191 C N -4.132 115.260 119.300 0.154 0.000 2.969 191 C HA 0.559 4.015 4.460 -1.674 0.000 0.338 191 C C 0.850 175.983 174.990 0.237 0.000 1.217 191 C CA -0.502 58.755 59.018 0.398 0.000 1.146 191 C CB -0.205 27.808 27.740 0.456 0.000 1.366 191 C HN 0.447 nan 8.230 nan 0.000 0.488 192 Y N 0.895 121.337 120.300 0.235 0.000 2.089 192 Y HA -0.098 3.448 4.550 -1.673 0.000 0.282 192 Y C 2.532 178.491 175.900 0.099 0.000 1.139 192 Y CA 2.563 60.682 58.100 0.032 0.000 1.123 192 Y CB -0.027 38.258 38.460 -0.291 0.000 0.980 192 Y HN 0.930 nan 8.280 nan 0.000 0.493 193 E N 0.187 120.545 120.200 0.265 0.000 2.394 193 E HA -0.260 3.085 4.350 -1.674 0.000 0.202 193 E C 1.839 178.538 176.600 0.165 0.000 1.029 193 E CA 0.771 57.249 56.400 0.130 0.000 0.855 193 E CB -0.166 29.430 29.700 -0.173 0.000 0.770 193 E HN 0.486 nan 8.360 nan 0.000 0.527 194 A N -0.078 122.892 122.820 0.251 0.000 2.123 194 A HA 0.017 3.333 4.320 -1.674 0.000 0.214 194 A C 1.742 179.472 177.584 0.243 0.000 1.152 194 A CA 0.292 52.489 52.037 0.266 0.000 0.728 194 A CB 0.019 19.162 19.000 0.239 0.000 0.814 194 A HN 0.238 nan 8.150 nan 0.000 0.464 195 L N -0.381 121.014 121.223 0.286 0.000 2.418 195 L HA 0.097 3.433 4.340 -1.674 0.000 0.218 195 L C 1.631 178.775 176.870 0.458 0.000 1.125 195 L CA 0.817 55.926 54.840 0.449 0.000 0.835 195 L CB -0.498 41.824 42.059 0.437 0.000 0.953 195 L HN 0.254 nan 8.230 nan 0.000 0.454 196 S N 0.219 116.102 115.700 0.305 0.000 3.106 196 S HA 0.345 3.811 4.470 -1.674 0.000 0.304 196 S C 0.988 175.711 174.600 0.206 0.000 1.118 196 S CA 0.625 58.972 58.200 0.244 0.000 1.403 196 S CB -0.887 62.411 63.200 0.164 0.000 1.555 196 S HN 0.643 nan 8.310 nan 0.000 0.584 197 G N 2.995 111.940 108.800 0.243 0.000 2.340 197 G HA2 0.132 3.088 3.960 -1.674 0.000 0.106 197 G HA3 0.132 3.088 3.960 -1.674 0.000 0.106 197 G C 0.573 175.456 174.900 -0.029 0.000 2.445 197 G CA -0.021 45.146 45.100 0.112 0.000 1.363 197 G HN 1.584 nan 8.290 nan 0.000 0.412 198 G N 1.239 109.944 108.800 -0.160 0.000 3.125 198 G HA2 0.327 3.283 3.960 -1.674 0.000 0.301 198 G HA3 0.327 3.283 3.960 -1.674 0.000 0.301 198 G C 0.552 174.941 174.900 -0.853 0.000 0.260 198 G CA 1.075 45.842 45.100 -0.556 0.000 1.237 198 G HN 2.030 nan 8.290 nan 0.000 0.364 199 A N 2.410 124.819 122.820 -0.685 0.000 2.363 199 A HA 0.661 3.977 4.320 -1.674 0.000 0.270 199 A C 1.793 178.980 177.584 -0.661 0.000 1.121 199 A CA 0.776 52.477 52.037 -0.559 0.000 0.800 199 A CB 0.407 19.161 19.000 -0.411 0.000 1.052 199 A HN 2.010 nan 8.150 nan 0.000 0.493 200 T N -0.185 114.154 114.554 -0.358 0.000 2.737 200 T HA -0.252 3.094 4.350 -1.674 0.000 0.269 200 T C 1.764 176.374 174.700 -0.151 0.000 1.040 200 T CA 2.373 64.413 62.100 -0.099 0.000 1.142 200 T CB -1.126 67.748 68.868 0.009 0.000 0.861 200 T HN 1.114 nan 8.240 nan 0.000 0.456 201 T N 0.037 114.446 114.554 -0.241 0.000 2.881 201 T HA -0.092 3.253 4.350 -1.674 0.000 0.270 201 T C 1.673 176.257 174.700 -0.193 0.000 1.068 201 T CA 1.365 63.342 62.100 -0.205 0.000 1.131 201 T CB -0.373 68.347 68.868 -0.247 0.000 0.871 201 T HN 0.671 nan 8.240 nan 0.000 0.479 202 E N 0.929 120.945 120.200 -0.306 0.000 2.022 202 E HA 0.203 3.549 4.350 -1.674 0.000 0.193 202 E C 2.632 179.010 176.600 -0.371 0.000 0.969 202 E CA 0.434 56.651 56.400 -0.305 0.000 0.834 202 E CB -0.853 28.643 29.700 -0.341 0.000 0.798 202 E HN 0.514 nan 8.360 nan 0.000 0.467 203 G N 0.802 109.216 108.800 -0.643 0.000 2.581 203 G HA2 -0.294 2.661 3.960 -1.674 0.000 0.223 203 G HA3 -0.294 2.661 3.960 -1.674 0.000 0.223 203 G C 1.269 175.574 174.900 -0.992 0.000 1.094 203 G CA 0.762 45.367 45.100 -0.826 0.000 0.736 203 G HN 0.113 nan 8.290 nan 0.000 0.588 204 F N 0.643 120.267 119.950 -0.543 0.000 2.234 204 F HA 0.165 3.687 4.527 -1.674 0.000 0.296 204 F C 2.632 178.299 175.800 -0.222 0.000 1.089 204 F CA 1.280 59.105 58.000 -0.293 0.000 1.343 204 F CB 0.097 39.009 39.000 -0.146 0.000 1.040 204 F HN 0.229 nan 8.300 nan 0.000 0.498 205 E N -0.206 119.928 120.200 -0.109 0.000 2.106 205 E HA -0.202 3.144 4.350 -1.674 0.000 0.192 205 E C 1.640 178.043 176.600 -0.328 0.000 0.984 205 E CA 1.285 57.499 56.400 -0.311 0.000 0.806 205 E CB -0.113 29.331 29.700 -0.426 0.000 0.750 205 E HN 0.314 nan 8.360 nan 0.000 0.458 206 D N -0.128 120.179 120.400 -0.156 0.000 2.182 206 D HA -0.152 3.484 4.640 -1.674 0.000 0.201 206 D C 1.259 177.744 176.300 0.308 0.000 0.986 206 D CA 0.906 54.956 54.000 0.083 0.000 0.847 206 D CB -0.062 40.696 40.800 -0.071 0.000 0.942 206 D HN 0.149 nan 8.370 nan 0.000 0.467 207 F N -0.359 119.560 119.950 -0.052 0.000 2.710 207 F HA 0.129 3.652 4.527 -1.673 0.000 0.298 207 F C 2.311 178.220 175.800 0.182 0.000 1.137 207 F CA 0.790 58.817 58.000 0.046 0.000 1.444 207 F CB -0.661 38.176 39.000 -0.272 0.000 1.111 207 F HN 0.046 nan 8.300 nan 0.000 0.580 208 T N -4.417 110.296 114.554 0.265 0.000 3.176 208 T HA 0.437 3.783 4.350 -1.674 0.000 0.259 208 T C 1.698 176.511 174.700 0.188 0.000 0.978 208 T CA 0.938 63.214 62.100 0.293 0.000 1.050 208 T CB 0.525 69.498 68.868 0.174 0.000 1.136 208 T HN 0.235 nan 8.240 nan 0.000 0.465 209 G N 0.846 109.407 108.800 -0.398 0.000 2.184 209 G HA2 0.062 3.018 3.960 -1.674 0.000 0.206 209 G HA3 0.062 3.018 3.960 -1.674 0.000 0.206 209 G C 0.648 175.131 174.900 -0.696 0.000 0.995 209 G CA 0.111 44.537 45.100 -1.123 0.000 0.651 209 G HN 1.025 nan 8.290 nan 0.000 0.511 210 G N -0.613 107.978 108.800 -0.348 0.000 2.570 210 G HA2 0.531 3.487 3.960 -1.674 0.000 0.276 210 G HA3 0.531 3.487 3.960 -1.674 0.000 0.276 210 G C -0.086 174.602 174.900 -0.354 0.000 1.346 210 G CA -0.201 44.736 45.100 -0.270 0.000 1.034 210 G HN 0.792 nan 8.290 nan 0.000 0.512 211 I N 0.444 120.726 120.570 -0.481 0.000 2.389 211 I HA 0.514 3.680 4.170 -1.674 0.000 0.288 211 I C 0.158 176.110 176.117 -0.275 0.000 0.999 211 I CA -0.869 60.241 61.300 -0.316 0.000 1.129 211 I CB 1.567 39.411 38.000 -0.260 0.000 1.288 211 I HN 0.479 nan 8.210 nan 0.000 0.444 212 A N 7.615 130.336 122.820 -0.165 0.000 2.316 212 A HA 0.417 3.733 4.320 -1.674 0.000 0.311 212 A C -0.189 177.368 177.584 -0.045 0.000 1.339 212 A CA -0.501 51.471 52.037 -0.109 0.000 0.960 212 A CB -0.015 18.933 19.000 -0.087 0.000 1.152 212 A HN 0.762 nan 8.150 nan 0.000 0.547 213 E N 3.352 123.496 120.200 -0.093 0.000 2.242 213 E HA 0.620 3.965 4.350 -1.674 0.000 0.275 213 E C -0.709 175.776 176.600 -0.192 0.000 1.002 213 E CA -0.788 55.485 56.400 -0.213 0.000 0.841 213 E CB 1.313 30.873 29.700 -0.233 0.000 1.109 213 E HN 0.746 nan 8.360 nan 0.000 0.394 214 W N 1.640 122.603 121.300 -0.562 0.000 3.032 214 W HA 0.529 4.184 4.660 -1.675 0.000 0.335 214 W C -2.068 173.998 176.519 -0.755 0.000 1.154 214 W CA -1.181 55.870 57.345 -0.492 0.000 1.204 214 W CB 0.252 29.551 29.460 -0.269 0.000 1.416 214 W HN 0.522 nan 8.180 nan 0.000 0.521 215 Y N 0.587 120.986 120.300 0.165 0.000 2.545 215 Y HA 0.336 3.882 4.550 -1.673 0.000 0.348 215 Y C -0.293 175.679 175.900 0.120 0.000 1.002 215 Y CA -1.383 56.751 58.100 0.057 0.000 1.039 215 Y CB 2.065 40.521 38.460 -0.006 0.000 1.271 215 Y HN 0.446 nan 8.280 nan 0.000 0.467 216 E N 2.068 122.409 120.200 0.236 0.000 2.001 216 E HA 0.287 3.633 4.350 -1.674 0.000 0.279 216 E C 0.232 176.915 176.600 0.139 0.000 1.045 216 E CA 0.048 56.535 56.400 0.144 0.000 0.833 216 E CB 0.275 30.060 29.700 0.142 0.000 1.077 216 E HN 0.756 nan 8.360 nan 0.000 0.397 217 L N 3.945 125.243 121.223 0.124 0.000 2.129 217 L HA -0.275 3.061 4.340 -1.674 0.000 0.212 217 L C 1.920 178.883 176.870 0.155 0.000 1.087 217 L CA 0.882 55.812 54.840 0.151 0.000 0.757 217 L CB -0.538 41.624 42.059 0.171 0.000 0.896 217 L HN 0.509 nan 8.230 nan 0.000 0.434 218 K N 1.139 121.631 120.400 0.154 0.000 2.052 218 K HA -0.183 3.133 4.320 -1.674 0.000 0.215 218 K C 0.537 177.208 176.600 0.117 0.000 1.053 218 K CA 1.689 58.061 56.287 0.142 0.000 0.934 218 K CB -0.439 32.158 32.500 0.161 0.000 0.717 218 K HN 0.256 nan 8.250 nan 0.000 0.450 219 K N 0.736 121.199 120.400 0.106 0.000 2.752 219 K HA 0.243 3.559 4.320 -1.674 0.000 0.199 219 K C -2.540 174.103 176.600 0.071 0.000 1.069 219 K CA -1.128 55.207 56.287 0.080 0.000 1.033 219 K CB 1.759 34.297 32.500 0.063 0.000 1.229 219 K HN 0.062 nan 8.250 nan 0.000 0.572 220 P HA 0.393 nan 4.420 nan 0.000 0.281 220 P C -2.358 174.945 177.300 0.005 0.000 1.264 220 P CA -1.346 61.780 63.100 0.043 0.000 0.824 220 P CB 0.423 32.142 31.700 0.031 0.000 1.092 221 P HA 0.240 nan 4.420 nan 0.000 0.274 221 P C -2.132 175.146 177.300 -0.036 0.000 1.237 221 P CA -1.451 61.634 63.100 -0.026 0.000 0.793 221 P CB -0.278 31.404 31.700 -0.031 0.000 0.977 222 P HA -0.131 nan 4.420 nan 0.000 0.215 222 P C 1.127 178.424 177.300 -0.004 0.000 1.157 222 P CA 1.615 64.701 63.100 -0.023 0.000 0.874 222 P CB -0.125 31.563 31.700 -0.019 0.000 0.790 223 N N -0.764 117.930 118.700 -0.010 0.000 2.421 223 N HA -0.003 3.733 4.740 -1.674 0.000 0.201 223 N C 1.354 176.861 175.510 -0.005 0.000 1.198 223 N CA -0.323 52.730 53.050 0.004 0.000 0.838 223 N CB -0.299 38.180 38.487 -0.014 0.000 1.011 223 N HN -0.053 nan 8.380 nan 0.000 0.463 224 L N 0.227 121.441 121.223 -0.015 0.000 2.051 224 L HA -0.220 3.116 4.340 -1.674 0.000 0.214 224 L C 1.594 178.511 176.870 0.077 0.000 1.076 224 L CA 1.816 56.627 54.840 -0.048 0.000 0.758 224 L CB -0.614 41.435 42.059 -0.016 0.000 0.890 224 L HN 0.148 nan 8.230 nan 0.000 0.433 225 F N 0.490 120.438 119.950 -0.004 0.000 2.094 225 F HA -0.010 3.512 4.527 -1.674 0.000 0.291 225 F C 2.048 177.828 175.800 -0.034 0.000 1.109 225 F CA 1.219 59.232 58.000 0.020 0.000 1.221 225 F CB -0.345 38.714 39.000 0.098 0.000 1.014 225 F HN -0.053 nan 8.300 nan 0.000 0.473 226 K N 0.564 120.981 120.400 0.028 0.000 2.914 226 K HA -0.037 3.279 4.320 -1.674 0.000 0.246 226 K C 0.650 177.191 176.600 -0.098 0.000 0.949 226 K CA -0.005 56.235 56.287 -0.079 0.000 1.136 226 K CB -0.108 32.390 32.500 -0.004 0.000 0.976 226 K HN 0.277 nan 8.250 nan 0.000 0.473 227 I N -0.968 119.525 120.570 -0.129 0.000 3.990 227 I HA -0.033 3.133 4.170 -1.674 0.000 0.275 227 I C 1.740 177.779 176.117 -0.131 0.000 1.157 227 I CA 0.282 61.518 61.300 -0.105 0.000 1.338 227 I CB -0.455 37.484 38.000 -0.102 0.000 1.588 227 I HN 0.086 nan 8.210 nan 0.000 0.441 228 I N 1.371 121.842 120.570 -0.165 0.000 2.151 228 I HA -0.379 2.787 4.170 -1.674 0.000 0.243 228 I C 2.537 178.542 176.117 -0.187 0.000 1.080 228 I CA 1.664 62.869 61.300 -0.159 0.000 1.339 228 I CB -0.384 37.518 38.000 -0.163 0.000 1.039 228 I HN 0.370 nan 8.210 nan 0.000 0.409 229 Q N 0.682 120.311 119.800 -0.284 0.000 2.045 229 Q HA -0.248 3.088 4.340 -1.674 0.000 0.206 229 Q C 2.272 178.178 176.000 -0.157 0.000 0.991 229 Q CA 1.492 57.146 55.803 -0.249 0.000 0.851 229 Q CB -0.255 28.296 28.738 -0.312 0.000 0.911 229 Q HN 0.439 nan 8.270 nan 0.000 0.418 230 K N 0.439 120.749 120.400 -0.150 0.000 2.097 230 K HA -0.094 3.222 4.320 -1.674 0.000 0.206 230 K C 2.000 178.522 176.600 -0.129 0.000 1.049 230 K CA 1.087 57.295 56.287 -0.132 0.000 0.933 230 K CB -0.573 31.859 32.500 -0.114 0.000 0.717 230 K HN 0.205 nan 8.250 nan 0.000 0.442 231 A N 2.857 125.621 122.820 -0.094 0.000 1.836 231 A HA -0.182 3.134 4.320 -1.674 0.000 0.215 231 A C 2.116 179.646 177.584 -0.090 0.000 1.214 231 A CA 1.615 53.615 52.037 -0.061 0.000 0.636 231 A CB -1.087 17.886 19.000 -0.045 0.000 0.847 231 A HN 0.278 nan 8.150 nan 0.000 0.451 232 L N 0.283 121.457 121.223 -0.081 0.000 2.064 232 L HA -0.295 3.040 4.340 -1.674 0.000 0.216 232 L C 2.532 179.433 176.870 0.052 0.000 1.077 232 L CA 3.009 57.818 54.840 -0.052 0.000 0.766 232 L CB -1.174 40.874 42.059 -0.019 0.000 0.890 232 L HN 0.817 nan 8.230 nan 0.000 0.435 233 Q N -0.375 119.435 119.800 0.017 0.000 2.197 233 Q HA -0.246 3.090 4.340 -1.674 0.000 0.207 233 Q C 1.804 177.846 176.000 0.071 0.000 0.984 233 Q CA 1.787 57.616 55.803 0.042 0.000 0.869 233 Q CB 0.092 28.790 28.738 -0.067 0.000 0.906 233 Q HN 0.473 nan 8.270 nan 0.000 0.426 234 K N -1.462 118.883 120.400 -0.092 0.000 2.211 234 K HA 0.068 3.383 4.320 -1.674 0.000 0.201 234 K C 1.427 177.916 176.600 -0.185 0.000 1.052 234 K CA 1.109 57.255 56.287 -0.235 0.000 0.973 234 K CB 0.629 32.803 32.500 -0.544 0.000 0.766 234 K HN 0.448 nan 8.250 nan 0.000 0.466 235 G N 0.577 109.140 108.800 -0.395 0.000 2.296 235 G HA2 -0.190 2.766 3.960 -1.674 0.000 0.188 235 G HA3 -0.190 2.766 3.960 -1.674 0.000 0.188 235 G C 0.193 174.816 174.900 -0.462 0.000 1.000 235 G CA 0.056 44.641 45.100 -0.859 0.000 0.672 235 G HN 0.208 nan 8.290 nan 0.000 0.483 236 S N 0.500 116.064 115.700 -0.227 0.000 2.572 236 S HA 0.521 3.986 4.470 -1.674 0.000 0.262 236 S C 0.449 174.955 174.600 -0.156 0.000 1.375 236 S CA 0.258 58.389 58.200 -0.115 0.000 0.996 236 S CB 0.530 63.721 63.200 -0.014 0.000 0.892 236 S HN 0.556 nan 8.310 nan 0.000 0.562 237 L N 1.111 122.256 121.223 -0.131 0.000 2.346 237 L HA 0.613 3.949 4.340 -1.674 0.000 0.274 237 L C -1.356 175.418 176.870 -0.161 0.000 1.007 237 L CA -0.957 53.797 54.840 -0.144 0.000 0.818 237 L CB 0.889 42.866 42.059 -0.137 0.000 1.284 237 L HN 0.327 nan 8.230 nan 0.000 0.424 238 L N 1.792 122.935 121.223 -0.133 0.000 2.386 238 L HA 0.865 4.201 4.340 -1.674 0.000 0.271 238 L C 0.411 177.215 176.870 -0.109 0.000 0.993 238 L CA -0.008 54.764 54.840 -0.114 0.000 0.819 238 L CB 1.798 43.809 42.059 -0.080 0.000 1.294 238 L HN 0.688 nan 8.230 nan 0.000 0.414 239 G N 0.162 108.897 108.800 -0.109 0.000 3.013 239 G HA2 0.773 3.729 3.960 -1.674 0.000 0.278 239 G HA3 0.773 3.729 3.960 -1.674 0.000 0.278 239 G C -1.285 173.582 174.900 -0.055 0.000 1.353 239 G CA -0.587 44.468 45.100 -0.075 0.000 1.043 239 G HN 0.922 nan 8.290 nan 0.000 0.523 240 C N -1.395 117.894 119.300 -0.018 0.000 3.198 240 C HA 0.717 4.173 4.460 -1.674 0.000 0.438 240 C C -0.215 174.836 174.990 0.102 0.000 0.952 240 C CA -1.242 57.760 59.018 -0.027 0.000 1.216 240 C CB 0.556 28.166 27.740 -0.216 0.000 1.594 240 C HN 0.745 nan 8.230 nan 0.000 0.598 241 S N 1.473 117.252 115.700 0.131 0.000 2.759 241 S HA 0.940 4.406 4.470 -1.674 0.000 0.310 241 S C -0.658 174.136 174.600 0.322 0.000 1.123 241 S CA -0.773 57.561 58.200 0.223 0.000 0.959 241 S CB 1.315 64.601 63.200 0.143 0.000 1.172 241 S HN 0.808 nan 8.310 nan 0.000 0.539 242 I N 1.478 122.251 120.570 0.338 0.000 2.722 242 I HA 0.209 3.374 4.170 -1.674 0.000 0.292 242 I C -0.497 175.732 176.117 0.187 0.000 1.267 242 I CA -0.857 60.647 61.300 0.341 0.000 1.036 242 I CB 2.027 40.142 38.000 0.191 0.000 1.281 242 I HN 0.791 nan 8.210 nan 0.000 0.423 261 G N 2.223 111.072 108.800 0.082 0.000 3.471 261 G HA2 0.063 3.019 3.960 -1.674 0.000 0.254 261 G HA3 0.063 3.019 3.960 -1.674 0.000 0.254 261 G C -0.785 174.164 174.900 0.082 0.000 1.199 261 G CA 0.404 45.547 45.100 0.071 0.000 1.683 261 G HN 0.144 nan 8.290 nan 0.000 0.625 262 H N 0.163 119.235 119.070 0.004 0.000 2.529 262 H HA 0.629 4.181 4.556 -1.673 0.000 0.348 262 H C -0.260 175.074 175.328 0.010 0.000 1.079 262 H CA -0.468 55.515 56.048 -0.107 0.000 1.198 262 H CB 1.772 31.423 29.762 -0.186 0.000 1.521 262 H HN 0.166 nan 8.280 nan 0.000 0.514 263 A N 5.046 127.592 122.820 -0.457 0.000 2.269 263 A HA 0.425 3.740 4.320 -1.674 0.000 0.302 263 A C -1.110 176.351 177.584 -0.205 0.000 1.266 263 A CA -0.271 51.670 52.037 -0.159 0.000 0.894 263 A CB -0.357 18.603 19.000 -0.067 0.000 1.147 263 A HN 0.657 nan 8.150 nan 0.000 0.537 264 Y N 0.943 121.230 120.300 -0.022 0.000 2.612 264 Y HA 0.642 4.188 4.550 -1.674 0.000 0.334 264 Y C 0.906 176.781 175.900 -0.042 0.000 1.227 264 Y CA -0.540 57.563 58.100 0.004 0.000 1.356 264 Y CB 1.415 39.865 38.460 -0.016 0.000 1.534 264 Y HN 0.570 nan 8.280 nan 0.000 0.576 265 S N -0.311 115.479 115.700 0.150 0.000 2.541 265 S HA 0.480 3.946 4.470 -1.674 0.000 0.280 265 S C -1.539 173.041 174.600 -0.032 0.000 1.112 265 S CA -0.843 57.369 58.200 0.021 0.000 0.925 265 S CB 1.741 64.948 63.200 0.011 0.000 1.067 265 S HN 0.259 nan 8.310 nan 0.000 0.479 266 V N 3.220 123.089 119.914 -0.075 0.000 2.270 266 V HA 0.187 3.303 4.120 -1.674 0.000 0.263 266 V C 1.403 177.433 176.094 -0.107 0.000 1.066 266 V CA -0.344 61.892 62.300 -0.107 0.000 0.857 266 V CB -0.049 31.714 31.823 -0.100 0.000 1.099 266 V HN 1.136 nan 8.190 nan 0.000 0.476 267 T N 0.135 114.613 114.554 -0.126 0.000 3.160 267 T HA 0.406 3.752 4.350 -1.674 0.000 0.257 267 T C 0.842 175.474 174.700 -0.112 0.000 1.147 267 T CA 0.520 62.553 62.100 -0.111 0.000 1.064 267 T CB 0.033 68.832 68.868 -0.115 0.000 0.949 267 T HN 1.172 nan 8.240 nan 0.000 0.526 268 G N -0.545 108.172 108.800 -0.139 0.000 2.361 268 G HA2 0.546 3.501 3.960 -1.674 0.000 0.305 268 G HA3 0.546 3.501 3.960 -1.674 0.000 0.305 268 G C -1.644 173.188 174.900 -0.112 0.000 1.367 268 G CA -0.461 44.577 45.100 -0.104 0.000 0.951 268 G HN 1.155 nan 8.290 nan 0.000 0.615 269 A N 0.001 122.799 122.820 -0.036 0.000 2.498 269 A HA 0.686 4.002 4.320 -1.674 0.000 0.305 269 A C -0.964 176.627 177.584 0.011 0.000 1.031 269 A CA 0.120 52.184 52.037 0.045 0.000 0.998 269 A CB 1.478 20.450 19.000 -0.048 0.000 1.429 269 A HN 1.409 nan 8.150 nan 0.000 0.387 270 E N 1.354 121.647 120.200 0.156 0.000 2.179 270 E HA 0.444 3.790 4.350 -1.674 0.000 0.275 270 E C 0.060 176.719 176.600 0.097 0.000 0.945 270 E CA -0.385 56.054 56.400 0.065 0.000 0.792 270 E CB 1.361 31.101 29.700 0.067 0.000 1.125 270 E HN 0.555 nan 8.360 nan 0.000 0.397 271 E N 4.029 124.290 120.200 0.102 0.000 2.676 271 E HA 0.109 3.455 4.350 -1.674 0.000 0.318 271 E C -0.623 176.018 176.600 0.069 0.000 1.514 271 E CA -0.275 56.224 56.400 0.165 0.000 1.667 271 E CB -0.160 29.697 29.700 0.260 0.000 1.336 271 E HN 0.350 nan 8.360 nan 0.000 0.492 272 V N 3.442 123.369 119.914 0.023 0.000 2.678 272 V HA -0.194 2.922 4.120 -1.674 0.000 0.304 272 V C 0.527 176.616 176.094 -0.008 0.000 1.086 272 V CA 0.979 63.264 62.300 -0.023 0.000 1.246 272 V CB -0.077 31.693 31.823 -0.088 0.000 0.861 272 V HN 0.501 nan 8.190 nan 0.000 0.491 273 E N 3.340 123.534 120.200 -0.011 0.000 2.133 273 E HA 0.431 3.777 4.350 -1.674 0.000 0.274 273 E C -0.064 176.527 176.600 -0.015 0.000 0.930 273 E CA -0.623 55.773 56.400 -0.005 0.000 0.770 273 E CB 1.435 31.136 29.700 0.002 0.000 1.104 273 E HN 0.455 nan 8.360 nan 0.000 0.403 274 S N 3.353 119.045 115.700 -0.013 0.000 2.710 274 S HA -0.036 3.430 4.470 -1.674 0.000 0.224 274 S C 0.925 175.518 174.600 -0.012 0.000 0.948 274 S CA -0.111 58.079 58.200 -0.016 0.000 0.949 274 S CB -0.609 62.582 63.200 -0.015 0.000 0.778 274 S HN 0.814 nan 8.310 nan 0.000 0.498 275 N N 0.537 119.232 118.700 -0.009 0.000 2.758 275 N HA -0.230 3.506 4.740 -1.674 0.000 0.245 275 N C 0.779 176.286 175.510 -0.005 0.000 1.059 275 N CA 1.388 54.434 53.050 -0.006 0.000 0.900 275 N CB -1.165 37.317 38.487 -0.008 0.000 1.145 275 N HN 0.618 nan 8.380 nan 0.000 0.590 276 G N -2.356 106.441 108.800 -0.005 0.000 2.797 276 G HA2 0.209 3.164 3.960 -1.674 0.000 0.209 276 G HA3 0.209 3.164 3.960 -1.674 0.000 0.209 276 G C 1.050 175.948 174.900 -0.003 0.000 1.080 276 G CA 1.016 46.113 45.100 -0.005 0.000 0.897 276 G HN 0.542 nan 8.290 nan 0.000 0.641 277 S N -0.631 115.067 115.700 -0.002 0.000 2.931 277 S HA 0.337 3.803 4.470 -1.674 0.000 0.251 277 S C 0.689 175.291 174.600 0.003 0.000 1.078 277 S CA 0.708 58.908 58.200 0.000 0.000 0.835 277 S CB 0.396 63.596 63.200 0.001 0.000 0.798 277 S HN 1.046 nan 8.310 nan 0.000 0.495 278 L N 2.094 123.319 121.223 0.004 0.000 3.453 278 L HA -0.081 3.254 4.340 -1.674 0.000 0.650 278 L C -1.185 175.695 176.870 0.016 0.000 1.276 278 L CA 0.470 55.316 54.840 0.011 0.000 1.063 278 L CB -1.457 40.610 42.059 0.013 0.000 1.664 278 L HN 0.476 nan 8.230 nan 0.000 0.878 279 Q N 3.267 123.077 119.800 0.015 0.000 2.490 279 Q HA 0.259 3.594 4.340 -1.674 0.000 0.226 279 Q C 0.386 176.408 176.000 0.036 0.000 1.132 279 Q CA -0.240 55.581 55.803 0.029 0.000 0.928 279 Q CB 0.859 29.613 28.738 0.027 0.000 1.299 279 Q HN 0.509 nan 8.270 nan 0.000 0.528 280 K N 2.215 122.635 120.400 0.034 0.000 2.319 280 K HA 0.295 3.611 4.320 -1.674 0.000 0.265 280 K C -0.250 176.364 176.600 0.024 0.000 1.000 280 K CA -0.045 56.266 56.287 0.041 0.000 0.943 280 K CB 0.978 33.444 32.500 -0.058 0.000 0.950 280 K HN 0.318 nan 8.250 nan 0.000 0.485 281 L N 1.203 122.489 121.223 0.104 0.000 2.327 281 L HA 0.518 3.854 4.340 -1.674 0.000 0.258 281 L C -0.632 176.371 176.870 0.222 0.000 1.024 281 L CA -1.438 53.525 54.840 0.206 0.000 0.825 281 L CB 1.645 43.916 42.059 0.354 0.000 1.386 281 L HN 0.471 nan 8.230 nan 0.000 0.417 282 I N 1.277 121.987 120.570 0.234 0.000 2.410 282 I HA 0.296 3.462 4.170 -1.674 0.000 0.286 282 I C 0.011 176.107 176.117 -0.035 0.000 1.009 282 I CA -0.095 61.257 61.300 0.086 0.000 1.111 282 I CB 1.537 39.581 38.000 0.073 0.000 1.262 282 I HN 0.432 nan 8.210 nan 0.000 0.443 283 R N 7.729 128.034 120.500 -0.325 0.000 2.891 283 R HA 0.400 3.736 4.340 -1.674 0.000 0.248 283 R C -0.445 175.591 176.300 -0.440 0.000 1.439 283 R CA -0.290 55.335 56.100 -0.790 0.000 1.288 283 R CB -0.158 29.376 30.300 -1.277 0.000 1.212 283 R HN 0.572 nan 8.270 nan 0.000 0.605 284 I N 2.182 122.562 120.570 -0.317 0.000 3.004 284 I HA 0.195 3.361 4.170 -1.674 0.000 0.287 284 I C 0.796 176.821 176.117 -0.154 0.000 1.144 284 I CA 0.053 61.224 61.300 -0.215 0.000 1.353 284 I CB 0.687 38.536 38.000 -0.252 0.000 1.417 284 I HN 0.418 nan 8.210 nan 0.000 0.602 285 R N 2.993 123.490 120.500 -0.006 0.000 2.764 285 R HA 0.381 3.717 4.340 -1.674 0.000 0.270 285 R C -1.780 174.646 176.300 0.209 0.000 1.014 285 R CA -0.820 55.311 56.100 0.052 0.000 0.904 285 R CB 2.026 32.318 30.300 -0.014 0.000 1.236 285 R HN 0.733 nan 8.270 nan 0.000 0.466 286 N N 1.717 120.525 118.700 0.181 0.000 2.342 286 N HA 0.413 4.148 4.740 -1.674 0.000 0.293 286 N C -2.119 173.485 175.510 0.157 0.000 1.026 286 N CA -1.561 51.607 53.050 0.196 0.000 0.857 286 N CB 2.284 40.904 38.487 0.222 0.000 1.256 286 N HN 0.216 nan 8.380 nan 0.000 0.484 287 P HA -0.023 nan 4.420 nan 0.000 0.217 287 P C 0.539 177.783 177.300 -0.092 0.000 1.151 287 P CA 0.974 64.037 63.100 -0.062 0.000 0.828 287 P CB 0.113 31.614 31.700 -0.332 0.000 0.788 288 W N -0.726 120.581 121.300 0.011 0.000 3.077 288 W HA 0.165 3.820 4.660 -1.674 0.000 0.245 288 W C 1.436 177.960 176.519 0.010 0.000 1.316 288 W CA 1.098 58.452 57.345 0.015 0.000 1.537 288 W CB -0.263 29.218 29.460 0.035 0.000 1.131 288 W HN 0.150 nan 8.180 nan 0.000 0.695 289 G N 1.077 109.992 108.800 0.192 0.000 4.244 289 G HA2 -0.294 2.662 3.960 -1.674 0.000 0.222 289 G HA3 -0.294 2.662 3.960 -1.674 0.000 0.222 289 G C 0.308 175.278 174.900 0.117 0.000 1.665 289 G CA -0.021 45.152 45.100 0.123 0.000 1.315 289 G HN 0.305 nan 8.290 nan 0.000 0.637 290 E N 0.969 121.236 120.200 0.113 0.000 2.437 290 E HA 0.426 3.772 4.350 -1.674 0.000 0.263 290 E C -0.533 176.132 176.600 0.108 0.000 1.030 290 E CA 0.372 56.828 56.400 0.092 0.000 0.934 290 E CB 1.437 31.176 29.700 0.064 0.000 0.943 290 E HN 0.810 nan 8.360 nan 0.000 0.444 291 V N 1.760 121.744 119.914 0.117 0.000 2.891 291 V HA 0.455 3.571 4.120 -1.674 0.000 0.304 291 V C -0.725 175.474 176.094 0.176 0.000 1.171 291 V CA -0.788 61.599 62.300 0.146 0.000 0.943 291 V CB 1.703 33.612 31.823 0.142 0.000 1.037 291 V HN 0.918 nan 8.190 nan 0.000 0.427 292 E N 4.759 125.088 120.200 0.215 0.000 2.381 292 E HA 0.609 3.955 4.350 -1.674 0.000 0.286 292 E C -1.939 174.921 176.600 0.434 0.000 0.960 292 E CA -0.611 55.961 56.400 0.285 0.000 0.793 292 E CB 2.394 32.193 29.700 0.165 0.000 1.225 292 E HN 0.762 nan 8.360 nan 0.000 0.420 293 W N 1.599 122.922 121.300 0.039 0.000 2.698 293 W HA 0.429 4.085 4.660 -1.673 0.000 0.445 293 W C -1.917 174.617 176.519 0.024 0.000 1.013 293 W CA -0.139 57.221 57.345 0.025 0.000 1.202 293 W CB 0.384 29.857 29.460 0.022 0.000 1.453 293 W HN 0.498 nan 8.180 nan 0.000 0.610 294 T N 1.425 115.881 114.554 -0.163 0.000 3.060 294 T HA 0.580 3.926 4.350 -1.674 0.000 0.367 294 T C 0.064 174.348 174.700 -0.693 0.000 1.229 294 T CA 0.771 62.639 62.100 -0.388 0.000 1.104 294 T CB -0.421 68.377 68.868 -0.116 0.000 1.083 294 T HN 1.292 nan 8.240 nan 0.000 0.524 295 G N 4.633 112.699 108.800 -1.223 0.000 4.335 295 G HA2 0.176 3.132 3.960 -1.674 0.000 0.188 295 G HA3 0.176 3.132 3.960 -1.674 0.000 0.188 295 G C -0.015 174.496 174.900 -0.649 0.000 1.061 295 G CA -0.356 44.137 45.100 -1.012 0.000 1.014 295 G HN 0.553 nan 8.290 nan 0.000 0.340 326 M N 1.256 121.160 119.600 0.506 0.000 2.518 326 M HA 0.242 3.718 4.480 -1.674 0.000 0.300 326 M C 0.704 177.286 176.300 0.470 0.000 1.175 326 M CA -0.850 54.769 55.300 0.531 0.000 0.890 326 M CB 2.352 35.122 32.600 0.283 0.000 1.710 326 M HN 0.460 nan 8.290 nan 0.000 0.453 327 S N 1.116 117.103 115.700 0.479 0.000 2.805 327 S HA -0.011 3.455 4.470 -1.674 0.000 0.230 327 S C 0.841 175.686 174.600 0.408 0.000 0.968 327 S CA 0.012 58.419 58.200 0.345 0.000 0.976 327 S CB -0.956 62.399 63.200 0.259 0.000 0.787 327 S HN 0.867 nan 8.310 nan 0.000 0.533 328 F N 0.328 120.409 119.950 0.219 0.000 3.030 328 F HA -0.346 3.177 4.527 -1.674 0.000 0.302 328 F C 1.315 177.300 175.800 0.308 0.000 0.749 328 F CA 0.642 58.740 58.000 0.163 0.000 1.040 328 F CB -1.454 37.533 39.000 -0.021 0.000 1.383 328 F HN 0.482 nan 8.300 nan 0.000 0.368 329 S N 0.553 116.539 115.700 0.477 0.000 2.671 329 S HA -0.059 3.407 4.470 -1.674 0.000 0.220 329 S C 1.625 176.419 174.600 0.322 0.000 0.951 329 S CA 0.512 58.980 58.200 0.447 0.000 0.932 329 S CB -0.293 63.070 63.200 0.272 0.000 0.777 329 S HN 0.701 nan 8.310 nan 0.000 0.508 330 D N 1.437 122.099 120.400 0.437 0.000 2.149 330 D HA -0.175 3.460 4.640 -1.674 0.000 0.201 330 D C 1.800 178.266 176.300 0.277 0.000 0.972 330 D CA 0.890 55.086 54.000 0.327 0.000 0.835 330 D CB -0.749 40.297 40.800 0.410 0.000 0.966 330 D HN 0.613 nan 8.370 nan 0.000 0.476 331 F N 1.241 121.229 119.950 0.063 0.000 2.236 331 F HA -0.002 3.520 4.527 -1.674 0.000 0.302 331 F C 1.968 177.781 175.800 0.022 0.000 1.073 331 F CA 0.545 58.553 58.000 0.013 0.000 1.336 331 F CB -1.046 37.872 39.000 -0.137 0.000 1.040 331 F HN -0.082 nan 8.300 nan 0.000 0.507 332 L N -0.498 120.233 121.223 -0.820 0.000 2.558 332 L HA 0.161 3.496 4.340 -1.674 0.000 0.225 332 L C 2.194 178.899 176.870 -0.273 0.000 1.128 332 L CA 0.106 54.532 54.840 -0.690 0.000 0.868 332 L CB -0.273 41.296 42.059 -0.816 0.000 1.006 332 L HN 0.063 nan 8.230 nan 0.000 0.454 333 R N -1.854 118.552 120.500 -0.157 0.000 2.164 333 R HA 0.222 3.558 4.340 -1.674 0.000 0.198 333 R C 0.465 176.639 176.300 -0.209 0.000 1.028 333 R CA 0.353 56.356 56.100 -0.163 0.000 1.083 333 R CB 0.161 30.364 30.300 -0.162 0.000 1.026 333 R HN 0.225 nan 8.270 nan 0.000 0.514 334 H N -0.262 118.817 119.070 0.016 0.000 2.472 334 H HA 0.064 3.616 4.556 -1.674 0.000 0.335 334 H C 0.129 175.539 175.328 0.136 0.000 1.136 334 H CA -0.192 55.889 56.048 0.055 0.000 1.264 334 H CB 1.621 31.399 29.762 0.027 0.000 1.486 334 H HN 0.010 nan 8.280 nan 0.000 0.517 335 Y N 1.526 121.918 120.300 0.153 0.000 2.441 335 Y HA 0.174 3.720 4.550 -1.674 0.000 0.288 335 Y C 0.294 176.267 175.900 0.122 0.000 1.118 335 Y CA 0.273 58.435 58.100 0.105 0.000 1.215 335 Y CB 0.845 39.346 38.460 0.067 0.000 1.118 335 Y HN 0.350 nan 8.280 nan 0.000 0.547 336 S N 0.719 116.368 115.700 -0.084 0.000 2.536 336 S HA 0.633 4.098 4.470 -1.674 0.000 0.287 336 S C -1.510 173.083 174.600 -0.012 0.000 1.101 336 S CA -0.881 57.213 58.200 -0.177 0.000 0.950 336 S CB 1.433 64.451 63.200 -0.304 0.000 1.056 336 S HN 0.357 nan 8.310 nan 0.000 0.481 337 R N 3.059 123.589 120.500 0.050 0.000 2.574 337 R HA 0.647 3.983 4.340 -1.674 0.000 0.288 337 R C -2.249 174.139 176.300 0.147 0.000 1.004 337 R CA -0.597 55.554 56.100 0.086 0.000 0.895 337 R CB 0.685 31.058 30.300 0.120 0.000 1.191 337 R HN 0.457 nan 8.270 nan 0.000 0.444 338 L N 3.964 125.226 121.223 0.065 0.000 2.404 338 L HA 0.400 3.736 4.340 -1.674 0.000 0.272 338 L C -0.718 176.147 176.870 -0.008 0.000 0.980 338 L CA -0.590 54.281 54.840 0.053 0.000 0.836 338 L CB 1.840 43.871 42.059 -0.047 0.000 1.238 338 L HN 0.626 nan 8.230 nan 0.000 0.408 339 E N 3.375 123.604 120.200 0.048 0.000 2.151 339 E HA 0.551 3.897 4.350 -1.674 0.000 0.275 339 E C -0.594 175.965 176.600 -0.069 0.000 0.936 339 E CA -0.605 55.790 56.400 -0.009 0.000 0.777 339 E CB 2.738 32.475 29.700 0.062 0.000 1.108 339 E HN 0.588 nan 8.360 nan 0.000 0.401 340 I N 4.318 124.805 120.570 -0.139 0.000 2.377 340 I HA 0.187 3.353 4.170 -1.674 0.000 0.282 340 I C -0.561 175.471 176.117 -0.141 0.000 1.091 340 I CA -0.759 60.439 61.300 -0.171 0.000 1.207 340 I CB -0.097 37.767 38.000 -0.227 0.000 1.429 340 I HN 0.708 nan 8.210 nan 0.000 0.491 341 C N 5.621 124.820 119.300 -0.169 0.000 2.702 341 C HA 0.176 3.631 4.460 -1.674 0.000 0.411 341 C C 0.422 175.234 174.990 -0.296 0.000 1.286 341 C CA -0.476 58.493 59.018 -0.081 0.000 1.979 341 C CB -0.595 26.948 27.740 -0.328 0.000 2.728 341 C HN 0.680 nan 8.230 nan 0.000 0.652 342 N N 0.869 119.523 118.700 -0.076 0.000 2.328 342 N HA 0.548 4.283 4.740 -1.674 0.000 0.299 342 N C -1.030 174.545 175.510 0.108 0.000 1.179 342 N CA -0.726 52.288 53.050 -0.060 0.000 0.793 342 N CB 1.344 39.859 38.487 0.046 0.000 1.366 342 N HN 0.589 nan 8.380 nan 0.000 0.493 343 L N -0.774 120.565 121.223 0.194 0.000 2.534 343 L HA 0.220 3.555 4.340 -1.674 0.000 0.271 343 L C 1.692 178.724 176.870 0.269 0.000 1.178 343 L CA -0.222 54.831 54.840 0.356 0.000 0.907 343 L CB -0.776 41.470 42.059 0.312 0.000 1.164 343 L HN 0.685 nan 8.230 nan 0.000 0.482 344 T N -0.003 114.728 114.554 0.295 0.000 2.822 344 T HA -0.075 3.271 4.350 -1.674 0.000 0.270 344 T C -0.352 174.434 174.700 0.144 0.000 1.064 344 T CA 1.141 63.375 62.100 0.223 0.000 1.131 344 T CB -1.565 67.442 68.868 0.231 0.000 0.858 344 T HN 0.791 nan 8.240 nan 0.000 0.483 345 P HA 0.134 nan 4.420 nan 0.000 0.245 345 P C 0.535 177.840 177.300 0.008 0.000 1.212 345 P CA 0.302 63.442 63.100 0.066 0.000 0.774 345 P CB 0.129 31.872 31.700 0.072 0.000 0.999 346 D N 1.286 121.713 120.400 0.044 0.000 2.106 346 D HA -0.092 3.544 4.640 -1.674 0.000 0.194 346 D C 0.943 177.233 176.300 -0.016 0.000 0.988 346 D CA 1.788 55.791 54.000 0.004 0.000 0.845 346 D CB -1.050 39.787 40.800 0.061 0.000 0.990 346 D HN 0.243 nan 8.370 nan 0.000 0.448 347 T N 0.361 114.928 114.554 0.022 0.000 3.462 347 T HA 0.149 3.495 4.350 -1.674 0.000 0.257 347 T C 1.306 176.019 174.700 0.023 0.000 1.015 347 T CA -0.211 61.904 62.100 0.025 0.000 1.135 347 T CB -0.432 68.470 68.868 0.058 0.000 1.061 347 T HN 0.067 nan 8.240 nan 0.000 0.772 348 L N 2.750 123.971 121.223 -0.005 0.000 2.651 348 L HA 0.027 3.362 4.340 -1.674 0.000 0.236 348 L C 1.195 178.071 176.870 0.010 0.000 1.173 348 L CA 0.912 55.750 54.840 -0.004 0.000 0.843 348 L CB -0.490 41.552 42.059 -0.028 0.000 0.964 348 L HN 0.981 nan 8.230 nan 0.000 0.454 349 T N -8.110 106.455 114.554 0.018 0.000 2.606 349 T HA 0.529 3.874 4.350 -1.674 0.000 0.289 349 T C 0.453 175.174 174.700 0.034 0.000 1.113 349 T CA 0.058 62.171 62.100 0.021 0.000 1.106 349 T CB 1.892 70.768 68.868 0.012 0.000 1.611 349 T HN -0.085 nan 8.240 nan 0.000 0.471 350 S N 0.671 116.386 115.700 0.026 0.000 1.258 350 S HA -0.187 3.279 4.470 -1.674 0.000 0.252 350 S C 0.279 174.883 174.600 0.007 0.000 0.586 350 S CA 1.014 59.230 58.200 0.027 0.000 1.026 350 S CB -2.135 61.110 63.200 0.074 0.000 0.987 350 S HN 1.204 nan 8.310 nan 0.000 0.492 351 D N 1.606 122.018 120.400 0.019 0.000 3.041 351 D HA -0.124 3.511 4.640 -1.674 0.000 0.220 351 D C -0.241 176.040 176.300 -0.032 0.000 1.157 351 D CA 1.661 55.662 54.000 0.001 0.000 0.876 351 D CB -1.774 39.023 40.800 -0.006 0.000 1.107 351 D HN 0.636 nan 8.370 nan 0.000 0.422 352 T N -0.129 114.404 114.554 -0.036 0.000 2.856 352 T HA 0.506 3.852 4.350 -1.674 0.000 0.283 352 T C -0.568 174.097 174.700 -0.058 0.000 1.008 352 T CA -0.409 61.585 62.100 -0.177 0.000 0.997 352 T CB 1.624 70.310 68.868 -0.303 0.000 0.992 352 T HN 0.105 nan 8.240 nan 0.000 0.454 353 Y N -0.329 119.935 120.300 -0.060 0.000 2.545 353 Y HA -0.160 3.386 4.550 -1.673 0.000 0.022 353 Y C 0.099 175.933 175.900 -0.111 0.000 1.744 353 Y CA -0.783 57.263 58.100 -0.089 0.000 1.392 353 Y CB -0.763 37.651 38.460 -0.077 0.000 2.040 353 Y HN 0.525 nan 8.280 nan 0.000 0.260 354 K N 3.641 124.036 120.400 -0.007 0.000 2.379 354 K HA 0.212 3.527 4.320 -1.674 0.000 0.284 354 K C 0.058 176.560 176.600 -0.163 0.000 1.044 354 K CA -0.645 55.577 56.287 -0.109 0.000 0.974 354 K CB 0.418 32.801 32.500 -0.196 0.000 0.962 354 K HN 0.335 nan 8.250 nan 0.000 0.474 355 K N 3.441 123.801 120.400 -0.067 0.000 2.276 355 K HA 0.138 3.453 4.320 -1.674 0.000 0.285 355 K C -0.685 175.956 176.600 0.069 0.000 1.062 355 K CA -0.305 55.987 56.287 0.009 0.000 0.918 355 K CB 0.320 32.866 32.500 0.076 0.000 1.055 355 K HN 0.397 nan 8.250 nan 0.000 0.477 356 W N 2.312 123.675 121.300 0.105 0.000 1.975 356 W HA 0.121 3.778 4.660 -1.672 0.000 0.359 356 W C 0.673 177.288 176.519 0.160 0.000 1.363 356 W CA -0.307 57.129 57.345 0.151 0.000 1.376 356 W CB 0.381 29.980 29.460 0.233 0.000 1.231 356 W HN 0.411 nan 8.180 nan 0.000 0.641 357 K N 0.649 121.347 120.400 0.497 0.000 2.208 357 K HA 0.763 4.079 4.320 -1.674 0.000 0.247 357 K C -1.715 175.008 176.600 0.205 0.000 0.953 357 K CA -0.843 55.613 56.287 0.282 0.000 0.837 357 K CB 1.515 34.150 32.500 0.226 0.000 1.131 357 K HN 0.364 nan 8.250 nan 0.000 0.431 358 L N 0.163 121.442 121.223 0.093 0.000 2.518 358 L HA 0.699 4.035 4.340 -1.674 0.000 0.257 358 L C -1.642 175.193 176.870 -0.058 0.000 0.980 358 L CA -0.011 54.794 54.840 -0.059 0.000 0.837 358 L CB 2.571 44.570 42.059 -0.100 0.000 1.410 358 L HN 0.623 nan 8.230 nan 0.000 0.410 359 T N 2.706 117.173 114.554 -0.146 0.000 3.291 359 T HA 0.503 3.849 4.350 -1.674 0.000 0.344 359 T C -1.992 172.657 174.700 -0.085 0.000 1.293 359 T CA -0.617 61.459 62.100 -0.038 0.000 1.108 359 T CB 0.811 69.709 68.868 0.050 0.000 1.231 359 T HN 0.904 nan 8.240 nan 0.000 0.474 360 K N 4.285 124.723 120.400 0.064 0.000 2.435 360 K HA 0.858 4.174 4.320 -1.674 0.000 0.251 360 K C -1.375 175.369 176.600 0.240 0.000 0.954 360 K CA -1.040 55.301 56.287 0.091 0.000 0.820 360 K CB 2.625 35.131 32.500 0.011 0.000 1.292 360 K HN 0.586 nan 8.250 nan 0.000 0.436 361 M N 1.018 120.792 119.600 0.290 0.000 2.667 361 M HA 0.346 3.822 4.480 -1.674 0.000 0.286 361 M C -1.723 174.577 176.300 0.001 0.000 1.270 361 M CA -0.565 54.786 55.300 0.085 0.000 0.826 361 M CB 2.715 35.210 32.600 -0.174 0.000 1.743 361 M HN 0.692 nan 8.290 nan 0.000 0.460 362 D N 0.137 120.496 120.400 -0.068 0.000 2.340 362 D HA 0.817 4.453 4.640 -1.674 0.000 0.240 362 D C -0.805 175.266 176.300 -0.381 0.000 1.001 362 D CA -0.022 53.835 54.000 -0.239 0.000 0.888 362 D CB 2.169 42.829 40.800 -0.234 0.000 1.310 362 D HN 0.756 nan 8.370 nan 0.000 0.474 363 G N 0.485 108.597 108.800 -1.147 0.000 2.646 363 G HA2 0.499 3.455 3.960 -1.674 0.000 0.291 363 G HA3 0.499 3.455 3.960 -1.674 0.000 0.291 363 G C -1.381 172.492 174.900 -1.712 0.000 1.445 363 G CA -0.716 43.617 45.100 -1.278 0.000 0.814 363 G HN 0.422 nan 8.290 nan 0.000 0.495 364 N N -0.824 117.319 118.700 -0.928 0.000 2.697 364 N HA 0.523 4.258 4.740 -1.674 0.000 0.272 364 N C -1.628 173.594 175.510 -0.480 0.000 1.381 364 N CA -0.693 51.936 53.050 -0.702 0.000 0.797 364 N CB 2.162 40.422 38.487 -0.380 0.000 1.523 364 N HN 0.559 nan 8.380 nan 0.000 0.518 365 W N 1.121 122.449 121.300 0.046 0.000 2.604 365 W HA 0.316 3.957 4.660 -1.698 0.000 0.302 365 W C -0.482 176.035 176.519 -0.003 0.000 1.013 365 W CA -0.467 56.907 57.345 0.048 0.000 1.338 365 W CB 0.606 30.124 29.460 0.097 0.000 1.233 365 W HN 0.141 nan 8.180 nan 0.000 0.390 366 R N 1.846 122.423 120.500 0.128 0.000 2.221 366 R HA 0.291 3.627 4.340 -1.674 0.000 0.327 366 R C 0.563 176.882 176.300 0.033 0.000 1.033 366 R CA -1.063 55.065 56.100 0.046 0.000 0.887 366 R CB 1.203 31.487 30.300 -0.026 0.000 1.057 366 R HN 0.449 nan 8.270 nan 0.000 0.455 367 R N 0.619 121.146 120.500 0.045 0.000 2.587 367 R HA -0.068 3.267 4.340 -1.674 0.000 0.268 367 R C 0.728 177.013 176.300 -0.026 0.000 0.978 367 R CA 1.793 57.919 56.100 0.044 0.000 1.097 367 R CB 0.105 30.431 30.300 0.043 0.000 0.917 367 R HN 0.891 nan 8.270 nan 0.000 0.414 368 G N 1.356 110.152 108.800 -0.006 0.000 2.168 368 G HA2 -0.348 2.607 3.960 -1.674 0.000 0.257 368 G HA3 -0.348 2.607 3.960 -1.674 0.000 0.257 368 G C 0.350 174.738 174.900 -0.854 0.000 0.997 368 G CA 0.706 45.625 45.100 -0.302 0.000 0.708 368 G HN 0.730 nan 8.290 nan 0.000 0.520 369 S N -2.490 112.801 115.700 -0.682 0.000 4.428 369 S HA 0.161 3.627 4.470 -1.674 0.000 0.199 369 S C 1.795 176.227 174.600 -0.280 0.000 1.156 369 S CA 1.547 59.423 58.200 -0.541 0.000 1.134 369 S CB -0.337 62.710 63.200 -0.255 0.000 1.531 369 S HN 1.149 nan 8.310 nan 0.000 0.551 370 T N 0.275 114.772 114.554 -0.095 0.000 3.044 370 T HA 0.629 3.974 4.350 -1.674 0.000 0.260 370 T C 0.388 175.179 174.700 0.151 0.000 1.019 370 T CA 0.468 62.571 62.100 0.005 0.000 0.921 370 T CB 0.740 69.615 68.868 0.012 0.000 1.053 370 T HN 0.549 nan 8.240 nan 0.000 0.533 371 A N 1.192 124.098 122.820 0.142 0.000 3.126 371 A HA 0.756 4.072 4.320 -1.674 0.000 0.268 371 A C 1.459 179.035 177.584 -0.013 0.000 1.605 371 A CA -0.230 51.862 52.037 0.091 0.000 1.305 371 A CB -0.701 18.366 19.000 0.111 0.000 1.160 371 A HN 0.461 nan 8.150 nan 0.000 0.609 372 G N 0.889 109.619 108.800 -0.117 0.000 2.610 372 G HA2 0.398 3.354 3.960 -1.674 0.000 0.215 372 G HA3 0.398 3.354 3.960 -1.674 0.000 0.215 372 G C 1.033 175.744 174.900 -0.314 0.000 1.243 372 G CA 0.475 45.459 45.100 -0.193 0.000 0.847 372 G HN 1.921 nan 8.290 nan 0.000 0.560 373 G N -1.454 107.162 108.800 -0.306 0.000 3.320 373 G HA2 0.153 3.108 3.960 -1.674 0.000 0.430 373 G HA3 0.153 3.108 3.960 -1.674 0.000 0.430 373 G C -0.026 174.753 174.900 -0.202 0.000 0.806 373 G CA -0.025 44.910 45.100 -0.276 0.000 0.746 373 G HN 1.744 nan 8.290 nan 0.000 0.414 374 C N 1.588 120.952 119.300 0.106 0.000 0.170 374 C HA -0.077 3.379 4.460 -1.674 0.000 0.017 374 C C 2.024 177.052 174.990 0.063 0.000 0.171 374 C CA 0.519 59.517 59.018 -0.033 0.000 0.501 374 C CB -0.874 26.672 27.740 -0.323 0.000 3.212 374 C HN 1.805 nan 8.230 nan 0.000 1.118 375 R N 3.143 123.506 120.500 -0.229 0.000 2.117 375 R HA -0.196 3.140 4.340 -1.674 0.000 0.243 375 R C 1.370 177.512 176.300 -0.264 0.000 1.143 375 R CA 2.605 58.350 56.100 -0.592 0.000 0.968 375 R CB -0.465 29.617 30.300 -0.362 0.000 0.863 375 R HN 0.778 nan 8.270 nan 0.000 0.444 376 N N 0.360 118.971 118.700 -0.148 0.000 2.184 376 N HA -0.182 3.554 4.740 -1.674 0.000 0.190 376 N C -0.225 175.160 175.510 -0.209 0.000 1.011 376 N CA 1.249 54.190 53.050 -0.181 0.000 0.867 376 N CB -0.259 38.086 38.487 -0.236 0.000 0.993 376 N HN 0.368 nan 8.380 nan 0.000 0.433 377 Y N 0.095 120.287 120.300 -0.180 0.000 2.931 377 Y HA 0.293 3.843 4.550 -1.667 0.000 0.330 377 Y C -1.634 174.254 175.900 -0.020 0.000 1.115 377 Y CA -2.768 55.260 58.100 -0.121 0.000 1.283 377 Y CB 0.706 39.068 38.460 -0.162 0.000 1.215 377 Y HN 0.083 nan 8.280 nan 0.000 0.534 378 P HA -0.112 nan 4.420 nan 0.000 0.239 378 P C 0.474 177.908 177.300 0.223 0.000 1.184 378 P CA 0.992 64.183 63.100 0.151 0.000 0.760 378 P CB 0.418 32.145 31.700 0.045 0.000 0.884 379 N N -0.176 118.627 118.700 0.172 0.000 2.280 379 N HA 0.009 3.745 4.740 -1.674 0.000 0.192 379 N C 0.877 176.501 175.510 0.191 0.000 1.109 379 N CA 0.856 54.000 53.050 0.158 0.000 0.855 379 N CB 0.599 39.106 38.487 0.033 0.000 0.974 379 N HN 0.218 nan 8.380 nan 0.000 0.482 380 T N -3.910 110.757 114.554 0.189 0.000 3.211 380 T HA 0.003 3.349 4.350 -1.674 0.000 0.261 380 T C 1.313 175.956 174.700 -0.095 0.000 0.880 380 T CA -0.393 61.688 62.100 -0.032 0.000 0.903 380 T CB -0.840 67.863 68.868 -0.274 0.000 1.264 380 T HN 0.022 nan 8.240 nan 0.000 0.532 381 F N 3.280 123.189 119.950 -0.068 0.000 2.106 381 F HA -0.169 3.353 4.527 -1.674 0.000 0.299 381 F C 1.947 177.548 175.800 -0.331 0.000 1.082 381 F CA 2.571 60.473 58.000 -0.164 0.000 1.244 381 F CB -0.290 38.650 39.000 -0.100 0.000 0.997 381 F HN 0.546 nan 8.300 nan 0.000 0.486 382 W N -0.635 120.524 121.300 -0.234 0.000 3.077 382 W HA 0.035 3.710 4.660 -1.642 0.000 0.245 382 W C 1.279 177.720 176.519 -0.130 0.000 1.316 382 W CA 0.283 57.397 57.345 -0.385 0.000 1.537 382 W CB -1.585 27.936 29.460 0.102 0.000 1.131 382 W HN 0.186 nan 8.180 nan 0.000 0.695 383 M N 0.721 119.668 119.600 -1.088 0.000 2.509 383 M HA -0.000 3.476 4.480 -1.674 0.000 0.250 383 M C 0.901 177.030 176.300 -0.285 0.000 1.132 383 M CA 0.328 55.160 55.300 -0.779 0.000 1.080 383 M CB -0.314 31.883 32.600 -0.671 0.000 1.408 383 M HN -0.191 nan 8.290 nan 0.000 0.484 384 N N 1.174 119.700 118.700 -0.291 0.000 2.204 384 N HA 0.108 3.844 4.740 -1.674 0.000 0.232 384 N C -2.410 173.146 175.510 0.077 0.000 1.340 384 N CA -0.191 52.817 53.050 -0.070 0.000 0.883 384 N CB -0.250 38.096 38.487 -0.236 0.000 1.109 384 N HN -0.090 nan 8.380 nan 0.000 0.470 385 P HA 0.296 nan 4.420 nan 0.000 0.279 385 P C -1.069 176.247 177.300 0.026 0.000 1.252 385 P CA -0.119 63.048 63.100 0.111 0.000 0.811 385 P CB 0.876 32.755 31.700 0.298 0.000 1.035 386 Q N 0.837 120.492 119.800 -0.241 0.000 2.323 386 Q HA 0.532 3.868 4.340 -1.674 0.000 0.271 386 Q C -1.404 174.377 176.000 -0.366 0.000 1.048 386 Q CA -0.397 55.328 55.803 -0.131 0.000 0.792 386 Q CB 1.502 30.209 28.738 -0.053 0.000 1.280 386 Q HN 0.382 nan 8.270 nan 0.000 0.441 387 Y N 0.811 121.180 120.300 0.114 0.000 2.499 387 Y HA 0.565 4.109 4.550 -1.675 0.000 0.347 387 Y C -0.842 175.131 175.900 0.122 0.000 0.987 387 Y CA -1.194 56.943 58.100 0.060 0.000 1.044 387 Y CB 1.242 39.736 38.460 0.057 0.000 1.245 387 Y HN 0.474 nan 8.280 nan 0.000 0.461 388 L N 4.278 125.622 121.223 0.202 0.000 2.289 388 L HA 0.673 4.009 4.340 -1.674 0.000 0.285 388 L C -1.144 175.871 176.870 0.243 0.000 1.049 388 L CA -0.534 54.409 54.840 0.172 0.000 0.804 388 L CB 0.477 42.578 42.059 0.070 0.000 1.195 388 L HN 0.549 nan 8.230 nan 0.000 0.428 389 I N 5.146 125.833 120.570 0.195 0.000 2.439 389 I HA 0.383 3.549 4.170 -1.674 0.000 0.285 389 I C -0.627 175.538 176.117 0.080 0.000 1.021 389 I CA -0.669 60.709 61.300 0.130 0.000 1.091 389 I CB 1.563 39.552 38.000 -0.019 0.000 1.242 389 I HN 0.569 nan 8.210 nan 0.000 0.439 390 K N 7.888 128.328 120.400 0.067 0.000 2.425 390 K HA 0.565 3.880 4.320 -1.674 0.000 0.259 390 K C -1.175 175.469 176.600 0.074 0.000 0.978 390 K CA -0.541 55.774 56.287 0.046 0.000 0.883 390 K CB 0.989 33.506 32.500 0.029 0.000 1.110 390 K HN 0.581 nan 8.250 nan 0.000 0.436 391 L N 4.440 125.732 121.223 0.115 0.000 2.319 391 L HA 0.226 3.562 4.340 -1.674 0.000 0.280 391 L C 0.944 177.889 176.870 0.124 0.000 1.099 391 L CA -0.357 54.584 54.840 0.168 0.000 0.828 391 L CB 1.005 43.249 42.059 0.307 0.000 1.150 391 L HN 0.754 nan 8.230 nan 0.000 0.442 392 E N 3.173 123.441 120.200 0.112 0.000 2.332 392 E HA 0.019 3.365 4.350 -1.674 0.000 0.257 392 E C 0.605 177.262 176.600 0.095 0.000 0.786 392 E CA -0.002 56.450 56.400 0.087 0.000 1.380 392 E CB 0.144 29.889 29.700 0.076 0.000 1.300 392 E HN 0.529 nan 8.360 nan 0.000 0.536 393 E N 1.223 121.477 120.200 0.090 0.000 2.369 393 E HA 0.084 3.429 4.350 -1.674 0.000 0.255 393 E C 0.421 177.085 176.600 0.107 0.000 1.172 393 E CA -0.474 55.977 56.400 0.086 0.000 0.932 393 E CB 0.523 30.265 29.700 0.071 0.000 1.040 393 E HN 0.101 nan 8.360 nan 0.000 0.454 394 E N 1.104 121.362 120.200 0.096 0.000 2.568 394 E HA 0.282 3.627 4.350 -1.674 0.000 0.242 394 E C -0.371 176.281 176.600 0.086 0.000 0.945 394 E CA -0.788 55.675 56.400 0.106 0.000 0.918 394 E CB 0.432 30.192 29.700 0.100 0.000 1.386 394 E HN 0.176 nan 8.360 nan 0.000 0.426 395 D N -0.108 120.340 120.400 0.080 0.000 2.314 395 D HA 0.235 3.871 4.640 -1.674 0.000 0.252 395 D C -0.161 176.164 176.300 0.043 0.000 1.295 395 D CA 0.153 54.189 54.000 0.060 0.000 0.995 395 D CB 0.319 41.151 40.800 0.052 0.000 1.125 395 D HN 0.428 nan 8.370 nan 0.000 0.537 406 T N 1.405 116.024 114.554 0.109 0.000 2.882 406 T HA 0.798 4.144 4.350 -1.674 0.000 0.287 406 T C -0.807 173.994 174.700 0.168 0.000 0.992 406 T CA -0.218 61.894 62.100 0.020 0.000 1.076 406 T CB 0.957 69.879 68.868 0.090 0.000 0.961 406 T HN 1.420 nan 8.240 nan 0.000 0.490 407 F N 0.618 120.692 119.950 0.208 0.000 2.641 407 F HA 0.673 4.196 4.527 -1.673 0.000 0.308 407 F C -1.794 174.100 175.800 0.157 0.000 1.105 407 F CA -2.070 56.040 58.000 0.182 0.000 0.964 407 F CB 0.993 40.080 39.000 0.146 0.000 1.294 407 F HN 0.461 nan 8.300 nan 0.000 0.442 408 L N 3.409 124.825 121.223 0.321 0.000 2.289 408 L HA 0.763 4.098 4.340 -1.674 0.000 0.285 408 L C -0.976 176.045 176.870 0.251 0.000 1.049 408 L CA -0.741 54.211 54.840 0.186 0.000 0.804 408 L CB 1.572 43.595 42.059 -0.059 0.000 1.195 408 L HN 0.707 nan 8.230 nan 0.000 0.428 409 V N 3.592 123.669 119.914 0.271 0.000 2.623 409 V HA 0.777 3.892 4.120 -1.674 0.000 0.304 409 V C 0.185 176.303 176.094 0.039 0.000 1.054 409 V CA -0.542 61.838 62.300 0.133 0.000 0.882 409 V CB 1.929 33.935 31.823 0.305 0.000 1.002 409 V HN 0.922 nan 8.190 nan 0.000 0.424 410 G N 3.287 112.026 108.800 -0.101 0.000 2.571 410 G HA2 0.695 3.651 3.960 -1.674 0.000 0.304 410 G HA3 0.695 3.651 3.960 -1.674 0.000 0.304 410 G C -1.849 172.946 174.900 -0.175 0.000 1.314 410 G CA -0.656 44.395 45.100 -0.081 0.000 0.975 410 G HN 0.640 nan 8.290 nan 0.000 0.485 411 L N 2.630 123.776 121.223 -0.130 0.000 2.384 411 L HA 0.594 3.929 4.340 -1.674 0.000 0.261 411 L C -0.455 176.441 176.870 0.042 0.000 1.024 411 L CA -0.732 54.037 54.840 -0.119 0.000 0.899 411 L CB 0.843 42.780 42.059 -0.205 0.000 1.243 411 L HN 0.559 nan 8.230 nan 0.000 0.449 412 I N 3.131 123.767 120.570 0.111 0.000 2.577 412 I HA 0.389 3.555 4.170 -1.674 0.000 0.300 412 I C -0.415 175.852 176.117 0.250 0.000 0.990 412 I CA 0.126 61.542 61.300 0.193 0.000 1.283 412 I CB 1.291 39.436 38.000 0.241 0.000 1.411 412 I HN 0.734 nan 8.210 nan 0.000 0.515 413 Q N 5.572 125.538 119.800 0.277 0.000 2.339 413 Q HA 0.462 3.797 4.340 -1.674 0.000 0.268 413 Q C -0.974 175.105 176.000 0.132 0.000 1.027 413 Q CA -0.954 54.992 55.803 0.237 0.000 0.759 413 Q CB 1.311 30.200 28.738 0.251 0.000 1.244 413 Q HN 0.471 nan 8.270 nan 0.000 0.464 414 K N 1.620 121.946 120.400 -0.123 0.000 2.552 414 K HA -0.115 3.201 4.320 -1.674 0.000 0.276 414 K C 0.089 176.328 176.600 -0.601 0.000 0.960 414 K CA 0.169 55.992 56.287 -0.773 0.000 0.961 414 K CB 0.110 32.283 32.500 -0.545 0.000 0.902 414 K HN 0.590 nan 8.250 nan 0.000 0.515 415 H N 0.900 119.440 119.070 -0.884 0.000 2.871 415 H HA 0.091 3.644 4.556 -1.671 0.000 0.377 415 H C -0.666 174.514 175.328 -0.246 0.000 1.307 415 H CA 0.804 56.621 56.048 -0.385 0.000 1.449 415 H CB 0.588 30.187 29.762 -0.272 0.000 1.452 415 H HN 0.362 nan 8.280 nan 0.000 0.619 416 R N 2.036 121.878 120.500 -1.096 0.000 2.518 416 R HA 0.167 3.503 4.340 -1.674 0.000 0.287 416 R C 0.869 176.787 176.300 -0.636 0.000 1.135 416 R CA -0.636 55.096 56.100 -0.612 0.000 0.967 416 R CB 1.037 31.098 30.300 -0.398 0.000 1.212 416 R HN 0.756 nan 8.270 nan 0.000 0.422 417 R N 1.612 121.947 120.500 -0.275 0.000 2.293 417 R HA -0.411 2.924 4.340 -1.674 0.000 0.245 417 R C 1.676 177.913 176.300 -0.105 0.000 1.105 417 R CA 2.803 58.850 56.100 -0.088 0.000 0.916 417 R CB -0.193 30.075 30.300 -0.054 0.000 0.963 417 R HN 0.504 nan 8.270 nan 0.000 0.429 418 R N 0.907 121.325 120.500 -0.136 0.000 2.273 418 R HA -0.226 3.110 4.340 -1.674 0.000 0.229 418 R C 0.096 176.342 176.300 -0.090 0.000 1.104 418 R CA 2.472 58.511 56.100 -0.102 0.000 0.870 418 R CB -0.798 29.435 30.300 -0.111 0.000 0.894 418 R HN 0.546 nan 8.270 nan 0.000 0.421 419 Q N 0.546 120.264 119.800 -0.136 0.000 2.320 419 Q HA -0.087 3.249 4.340 -1.674 0.000 0.311 419 Q C 0.537 176.589 176.000 0.086 0.000 1.083 419 Q CA 0.825 56.604 55.803 -0.040 0.000 1.001 419 Q CB 0.213 28.900 28.738 -0.085 0.000 1.074 419 Q HN 0.397 nan 8.270 nan 0.000 0.379 420 R N 1.567 122.101 120.500 0.057 0.000 2.394 420 R HA 0.148 3.483 4.340 -1.674 0.000 0.220 420 R C 0.226 176.621 176.300 0.158 0.000 0.887 420 R CA 0.080 56.197 56.100 0.028 0.000 1.034 420 R CB 0.715 30.881 30.300 -0.223 0.000 1.179 420 R HN 0.389 nan 8.270 nan 0.000 0.561 421 K N 0.839 121.351 120.400 0.187 0.000 2.385 421 K HA 0.378 3.694 4.320 -1.674 0.000 0.248 421 K C -0.497 176.187 176.600 0.141 0.000 0.955 421 K CA -0.588 55.828 56.287 0.217 0.000 0.816 421 K CB 1.768 34.418 32.500 0.250 0.000 1.250 421 K HN -0.177 nan 8.250 nan 0.000 0.434 422 M N 1.477 121.147 119.600 0.118 0.000 2.240 422 M HA 0.032 3.508 4.480 -1.674 0.000 0.317 422 M C 1.286 177.608 176.300 0.037 0.000 1.087 422 M CA 1.700 57.036 55.300 0.060 0.000 1.176 422 M CB 0.241 32.852 32.600 0.019 0.000 1.439 422 M HN 1.105 nan 8.290 nan 0.000 0.452 423 G N 0.759 109.564 108.800 0.008 0.000 2.779 423 G HA2 -0.260 2.696 3.960 -1.674 0.000 0.230 423 G HA3 -0.260 2.696 3.960 -1.674 0.000 0.230 423 G C 0.148 175.064 174.900 0.027 0.000 1.243 423 G CA 0.434 45.533 45.100 -0.001 0.000 0.769 423 G HN 0.734 nan 8.290 nan 0.000 0.516 424 E N 1.366 121.594 120.200 0.047 0.000 2.410 424 E HA 0.321 3.667 4.350 -1.674 0.000 0.255 424 E C 0.450 177.068 176.600 0.030 0.000 1.194 424 E CA 0.021 56.451 56.400 0.049 0.000 0.955 424 E CB 0.122 29.865 29.700 0.072 0.000 0.988 424 E HN 0.345 nan 8.360 nan 0.000 0.461 425 D N -0.215 120.200 120.400 0.024 0.000 2.860 425 D HA -0.225 3.410 4.640 -1.674 0.000 0.229 425 D C -0.218 176.060 176.300 -0.038 0.000 1.169 425 D CA 1.032 55.029 54.000 -0.005 0.000 0.737 425 D CB -0.784 39.995 40.800 -0.036 0.000 1.080 425 D HN 0.278 nan 8.370 nan 0.000 0.424 426 M N 0.205 119.808 119.600 0.005 0.000 2.255 426 M HA 0.131 3.606 4.480 -1.674 0.000 0.336 426 M C 0.516 176.873 176.300 0.095 0.000 1.135 426 M CA 0.079 55.385 55.300 0.010 0.000 1.145 426 M CB 0.797 33.430 32.600 0.055 0.000 1.473 426 M HN -0.072 nan 8.290 nan 0.000 0.462 427 H N 0.772 119.903 119.070 0.102 0.000 2.505 427 H HA 0.283 3.838 4.556 -1.668 0.000 0.355 427 H C -0.345 175.063 175.328 0.133 0.000 1.179 427 H CA -0.385 55.737 56.048 0.124 0.000 1.343 427 H CB 0.713 30.574 29.762 0.165 0.000 1.501 427 H HN 0.544 nan 8.280 nan 0.000 0.569 428 T N 4.871 119.597 114.554 0.288 0.000 3.414 428 T HA 0.176 3.521 4.350 -1.674 0.000 0.304 428 T C 1.215 176.091 174.700 0.293 0.000 1.241 428 T CA -0.520 61.728 62.100 0.247 0.000 1.076 428 T CB -0.943 68.059 68.868 0.222 0.000 1.134 428 T HN 0.342 nan 8.240 nan 0.000 0.759 429 I N -0.454 120.222 120.570 0.177 0.000 3.276 429 I HA 0.898 4.064 4.170 -1.674 0.000 0.306 429 I C 0.502 176.331 176.117 -0.480 0.000 1.060 429 I CA -0.498 60.810 61.300 0.012 0.000 1.133 429 I CB 0.467 38.532 38.000 0.108 0.000 1.473 429 I HN 0.561 nan 8.210 nan 0.000 0.649 430 G N 1.460 109.673 108.800 -0.979 0.000 2.342 430 G HA2 0.586 3.542 3.960 -1.674 0.000 0.297 430 G HA3 0.586 3.542 3.960 -1.674 0.000 0.297 430 G C -1.704 172.783 174.900 -0.688 0.000 1.313 430 G CA -0.443 43.550 45.100 -1.846 0.000 0.830 430 G HN 1.215 nan 8.290 nan 0.000 0.506 431 F N -1.572 118.115 119.950 -0.437 0.000 2.704 431 F HA 0.728 4.248 4.527 -1.677 0.000 0.312 431 F C -0.286 175.655 175.800 0.236 0.000 1.108 431 F CA -0.458 57.571 58.000 0.049 0.000 1.005 431 F CB 1.100 40.100 39.000 0.000 0.000 1.277 431 F HN 1.081 nan 8.300 nan 0.000 0.445 432 G N 2.630 111.681 108.800 0.417 0.000 2.453 432 G HA2 0.680 3.636 3.960 -1.674 0.000 0.323 432 G HA3 0.680 3.636 3.960 -1.674 0.000 0.323 432 G C -1.918 173.217 174.900 0.391 0.000 1.198 432 G CA -1.159 44.109 45.100 0.281 0.000 0.959 432 G HN 1.204 nan 8.290 nan 0.000 0.482 433 I N -0.040 120.554 120.570 0.040 0.000 2.545 433 I HA 0.728 3.894 4.170 -1.674 0.000 0.292 433 I C -1.659 174.433 176.117 -0.041 0.000 1.040 433 I CA -1.185 60.225 61.300 0.183 0.000 1.068 433 I CB 1.799 39.836 38.000 0.061 0.000 1.251 433 I HN 0.429 nan 8.210 nan 0.000 0.424 434 Y N 4.383 124.898 120.300 0.358 0.000 2.446 434 Y HA 0.354 3.902 4.550 -1.671 0.000 0.345 434 Y C -0.142 175.973 175.900 0.358 0.000 0.984 434 Y CA -0.972 57.339 58.100 0.351 0.000 1.058 434 Y CB 1.474 40.210 38.460 0.460 0.000 1.220 434 Y HN 0.535 nan 8.280 nan 0.000 0.455 435 E N 1.071 121.515 120.200 0.406 0.000 2.299 435 E HA 0.322 3.668 4.350 -1.674 0.000 0.272 435 E C -1.123 175.666 176.600 0.315 0.000 1.043 435 E CA -0.445 56.156 56.400 0.335 0.000 0.895 435 E CB 0.820 30.659 29.700 0.231 0.000 1.011 435 E HN 0.312 nan 8.360 nan 0.000 0.432 436 V N 6.696 126.735 119.914 0.207 0.000 2.370 436 V HA 0.036 3.151 4.120 -1.674 0.000 0.257 436 V C -0.898 175.267 176.094 0.119 0.000 1.064 436 V CA -1.175 61.232 62.300 0.178 0.000 0.975 436 V CB 0.344 32.197 31.823 0.051 0.000 1.067 436 V HN 0.818 nan 8.190 nan 0.000 0.485 437 P HA -0.186 nan 4.420 nan 0.000 0.214 437 P C 0.612 177.947 177.300 0.059 0.000 1.169 437 P CA 1.717 64.880 63.100 0.104 0.000 0.908 437 P CB 0.414 32.191 31.700 0.129 0.000 0.791 438 E N -0.922 119.308 120.200 0.051 0.000 3.640 438 E HA 0.200 3.545 4.350 -1.674 0.000 0.157 438 E C -0.667 175.937 176.600 0.006 0.000 0.974 438 E CA -0.132 56.281 56.400 0.022 0.000 1.465 438 E CB -0.071 29.642 29.700 0.021 0.000 1.098 438 E HN 0.145 nan 8.360 nan 0.000 0.414 445 N N 1.194 119.874 118.700 -0.033 0.000 2.651 445 N HA 0.044 3.780 4.740 -1.674 0.000 0.193 445 N C -0.106 175.401 175.510 -0.005 0.000 1.149 445 N CA 0.680 53.717 53.050 -0.021 0.000 0.933 445 N CB -0.329 38.148 38.487 -0.018 0.000 0.974 445 N HN 0.447 nan 8.380 nan 0.000 0.448 446 I N 1.183 121.745 120.570 -0.014 0.000 2.411 446 I HA 0.080 3.245 4.170 -1.674 0.000 0.284 446 I C -0.390 175.738 176.117 0.018 0.000 1.012 446 I CA -0.900 60.405 61.300 0.007 0.000 1.119 446 I CB 0.472 38.456 38.000 -0.028 0.000 1.261 446 I HN 0.145 nan 8.210 nan 0.000 0.448 447 H N 6.918 125.982 119.070 -0.010 0.000 3.145 447 H HA 0.239 3.789 4.556 -1.677 0.000 0.263 447 H C -0.097 175.291 175.328 0.100 0.000 1.057 447 H CA -0.163 55.892 56.048 0.010 0.000 1.477 447 H CB 0.323 30.089 29.762 0.007 0.000 1.529 447 H HN 0.442 nan 8.280 nan 0.000 0.508 448 L N 4.935 126.006 121.223 -0.253 0.000 2.706 448 L HA -0.110 3.225 4.340 -1.674 0.000 0.282 448 L C 0.835 177.851 176.870 0.243 0.000 1.219 448 L CA 0.291 55.053 54.840 -0.131 0.000 0.935 448 L CB -0.252 41.671 42.059 -0.226 0.000 1.204 448 L HN 0.722 nan 8.230 nan 0.000 0.491 449 S N 2.727 118.571 115.700 0.239 0.000 2.645 449 S HA 0.139 3.605 4.470 -1.674 0.000 0.266 449 S C 0.942 175.624 174.600 0.136 0.000 1.258 449 S CA -0.842 57.492 58.200 0.224 0.000 0.990 449 S CB 1.592 64.791 63.200 -0.003 0.000 0.967 449 S HN 0.700 nan 8.310 nan 0.000 0.556 450 K N 0.801 120.820 120.400 -0.636 0.000 2.113 450 K HA -0.272 3.043 4.320 -1.674 0.000 0.208 450 K C 1.801 178.353 176.600 -0.079 0.000 1.047 450 K CA 1.879 57.804 56.287 -0.603 0.000 0.928 450 K CB -0.445 31.473 32.500 -0.969 0.000 0.716 450 K HN 0.606 nan 8.250 nan 0.000 0.446 451 N N 0.267 118.908 118.700 -0.099 0.000 2.025 451 N HA -0.212 3.523 4.740 -1.674 0.000 0.194 451 N C 1.516 177.034 175.510 0.012 0.000 1.044 451 N CA 1.643 54.673 53.050 -0.033 0.000 0.851 451 N CB -0.477 37.988 38.487 -0.036 0.000 1.036 451 N HN 0.227 nan 8.380 nan 0.000 0.422 452 F N -0.290 119.567 119.950 -0.155 0.000 2.176 452 F HA -0.218 3.303 4.527 -1.677 0.000 0.301 452 F C 1.305 176.859 175.800 -0.409 0.000 1.071 452 F CA 1.530 59.334 58.000 -0.326 0.000 1.289 452 F CB -0.215 38.458 39.000 -0.545 0.000 1.028 452 F HN 0.094 nan 8.300 nan 0.000 0.494 453 F N -1.280 118.698 119.950 0.047 0.000 2.582 453 F HA 0.122 3.650 4.527 -1.664 0.000 0.290 453 F C 1.982 177.751 175.800 -0.052 0.000 1.115 453 F CA 0.175 58.151 58.000 -0.040 0.000 1.445 453 F CB -0.609 38.473 39.000 0.137 0.000 1.126 453 F HN -0.212 nan 8.300 nan 0.000 0.574 454 L N -0.215 121.083 121.223 0.125 0.000 2.265 454 L HA -0.154 3.181 4.340 -1.674 0.000 0.215 454 L C 1.714 178.571 176.870 -0.021 0.000 1.117 454 L CA 1.024 55.886 54.840 0.037 0.000 0.782 454 L CB -0.850 41.209 42.059 0.001 0.000 0.914 454 L HN 0.220 nan 8.230 nan 0.000 0.441 455 T N -1.257 113.249 114.554 -0.079 0.000 3.309 455 T HA 0.047 3.393 4.350 -1.674 0.000 0.182 455 T C 0.302 174.917 174.700 -0.141 0.000 0.697 455 T CA -0.648 61.375 62.100 -0.128 0.000 2.501 455 T CB -0.239 68.516 68.868 -0.188 0.000 2.296 455 T HN 0.163 nan 8.240 nan 0.000 0.349 456 N N 2.114 120.657 118.700 -0.262 0.000 1.935 456 N HA -0.065 3.671 4.740 -1.674 0.000 0.304 456 N C 0.718 176.237 175.510 0.014 0.000 1.286 456 N CA 0.182 53.126 53.050 -0.176 0.000 0.798 456 N CB 0.317 38.593 38.487 -0.352 0.000 1.028 456 N HN 0.283 nan 8.380 nan 0.000 0.494 457 R N 2.407 122.928 120.500 0.035 0.000 2.161 457 R HA 0.266 3.602 4.340 -1.674 0.000 0.213 457 R C 0.287 176.631 176.300 0.073 0.000 1.055 457 R CA 1.309 57.447 56.100 0.063 0.000 0.996 457 R CB 0.187 30.490 30.300 0.006 0.000 0.901 457 R HN 0.731 nan 8.270 nan 0.000 0.456 458 A N -2.115 120.700 122.820 -0.007 0.000 3.921 458 A HA 0.492 3.808 4.320 -1.674 0.000 0.080 458 A C -1.089 176.382 177.584 -0.189 0.000 1.319 458 A CA 0.029 51.892 52.037 -0.289 0.000 1.680 458 A CB -0.034 18.831 19.000 -0.226 0.000 1.779 458 A HN 0.021 nan 8.150 nan 0.000 0.798 459 R N -0.295 120.111 120.500 -0.156 0.000 1.960 459 R HA 0.142 3.478 4.340 -1.674 0.000 0.271 459 R C -0.738 175.497 176.300 -0.109 0.000 0.942 459 R CA 1.493 57.548 56.100 -0.075 0.000 0.592 459 R CB -1.812 28.488 30.300 0.000 0.000 1.705 459 R HN 2.099 nan 8.270 nan 0.000 0.334 460 E N 0.175 120.318 120.200 -0.096 0.000 7.466 460 E HA -0.131 3.215 4.350 -1.674 0.000 0.222 460 E C -1.697 174.845 176.600 -0.098 0.000 0.883 460 E CA 0.824 57.196 56.400 -0.047 0.000 1.631 460 E CB -0.118 29.590 29.700 0.012 0.000 0.901 460 E HN 0.470 nan 8.360 nan 0.000 0.264 461 R N 3.536 123.992 120.500 -0.073 0.000 2.589 461 R HA 0.631 3.967 4.340 -1.674 0.000 0.293 461 R C -0.335 175.904 176.300 -0.103 0.000 0.963 461 R CA -0.127 55.902 56.100 -0.118 0.000 0.905 461 R CB 1.601 31.860 30.300 -0.069 0.000 1.144 461 R HN 0.542 nan 8.270 nan 0.000 0.459 462 S N 1.758 117.253 115.700 -0.343 0.000 2.631 462 S HA -0.151 3.314 4.470 -1.674 0.000 0.311 462 S C -0.227 174.302 174.600 -0.118 0.000 1.254 462 S CA 0.338 58.315 58.200 -0.372 0.000 1.039 462 S CB 0.132 62.843 63.200 -0.816 0.000 0.753 462 S HN 0.593 nan 8.310 nan 0.000 0.494 463 D N 3.390 123.728 120.400 -0.105 0.000 2.848 463 D HA 0.319 3.955 4.640 -1.674 0.000 0.232 463 D C 0.075 176.369 176.300 -0.010 0.000 1.107 463 D CA 0.914 54.877 54.000 -0.060 0.000 1.020 463 D CB -0.494 40.241 40.800 -0.108 0.000 1.148 463 D HN 0.649 nan 8.370 nan 0.000 0.453 464 T N -0.592 114.009 114.554 0.078 0.000 1.091 464 T HA -0.149 3.196 4.350 -1.674 0.000 0.743 464 T C -0.985 173.873 174.700 0.264 0.000 1.029 464 T CA -0.773 61.435 62.100 0.180 0.000 3.863 464 T CB -0.670 68.248 68.868 0.084 0.000 2.296 464 T HN -0.027 nan 8.240 nan 0.000 0.411 465 F N 2.200 122.167 119.950 0.029 0.000 2.388 465 F HA 0.592 4.111 4.527 -1.679 0.000 0.358 465 F C 0.796 176.606 175.800 0.018 0.000 1.122 465 F CA -1.391 56.645 58.000 0.061 0.000 1.056 465 F CB 0.782 39.850 39.000 0.113 0.000 1.155 465 F HN 0.357 nan 8.300 nan 0.000 0.461 466 I N 2.312 122.947 120.570 0.109 0.000 2.934 466 I HA 0.193 3.359 4.170 -1.674 0.000 0.315 466 I C 0.615 176.795 176.117 0.105 0.000 0.997 466 I CA -0.532 60.826 61.300 0.096 0.000 1.184 466 I CB 1.326 39.385 38.000 0.098 0.000 1.400 466 I HN 0.543 nan 8.210 nan 0.000 0.549 467 N N 4.063 122.816 118.700 0.088 0.000 3.131 467 N HA 0.329 4.064 4.740 -1.674 0.000 0.312 467 N C -1.545 174.017 175.510 0.087 0.000 1.433 467 N CA -0.251 52.853 53.050 0.091 0.000 1.141 467 N CB 0.097 38.621 38.487 0.062 0.000 1.431 467 N HN 0.468 nan 8.380 nan 0.000 0.523 468 L N -2.070 119.213 121.223 0.101 0.000 2.622 468 L HA 0.552 3.888 4.340 -1.674 0.000 0.258 468 L C -0.480 176.452 176.870 0.103 0.000 0.996 468 L CA -1.077 53.816 54.840 0.087 0.000 0.858 468 L CB 0.730 42.833 42.059 0.074 0.000 1.449 468 L HN -0.067 nan 8.230 nan 0.000 0.411 469 R N 1.289 121.843 120.500 0.091 0.000 2.585 469 R HA 0.191 3.527 4.340 -1.674 0.000 0.275 469 R C -0.251 176.116 176.300 0.112 0.000 1.018 469 R CA 0.827 56.999 56.100 0.120 0.000 1.072 469 R CB 0.105 30.469 30.300 0.106 0.000 0.953 469 R HN 0.971 nan 8.270 nan 0.000 0.419 470 E N 0.981 121.262 120.200 0.135 0.000 7.619 470 E HA -0.236 3.110 4.350 -1.674 0.000 0.464 470 E C -2.012 174.649 176.600 0.102 0.000 0.419 470 E CA 0.598 57.066 56.400 0.113 0.000 0.751 470 E CB 0.212 29.969 29.700 0.095 0.000 0.967 470 E HN 0.238 nan 8.360 nan 0.000 0.328 471 V N 5.812 125.775 119.914 0.082 0.000 2.610 471 V HA 0.511 3.627 4.120 -1.674 0.000 0.298 471 V C -0.659 175.489 176.094 0.091 0.000 1.067 471 V CA -0.551 61.800 62.300 0.086 0.000 0.894 471 V CB 1.333 33.212 31.823 0.094 0.000 1.015 471 V HN 0.591 nan 8.190 nan 0.000 0.432 472 L N 2.833 124.083 121.223 0.045 0.000 2.309 472 L HA 0.821 4.157 4.340 -1.674 0.000 0.261 472 L C -0.935 175.926 176.870 -0.016 0.000 1.021 472 L CA -0.702 54.168 54.840 0.049 0.000 0.823 472 L CB 1.929 43.975 42.059 -0.021 0.000 1.366 472 L HN 0.588 nan 8.230 nan 0.000 0.423 473 N N -0.277 118.418 118.700 -0.009 0.000 2.494 473 N HA 0.563 4.298 4.740 -1.674 0.000 0.270 473 N C -1.527 173.719 175.510 -0.440 0.000 1.285 473 N CA -0.646 52.228 53.050 -0.293 0.000 0.812 473 N CB 2.808 41.068 38.487 -0.377 0.000 1.557 473 N HN 0.719 nan 8.380 nan 0.000 0.487 474 R N 1.647 121.779 120.500 -0.614 0.000 2.295 474 R HA 0.542 3.878 4.340 -1.674 0.000 0.324 474 R C -1.349 174.520 176.300 -0.718 0.000 0.968 474 R CA -0.222 55.605 56.100 -0.454 0.000 0.837 474 R CB 0.364 30.535 30.300 -0.215 0.000 1.133 474 R HN 0.431 nan 8.270 nan 0.000 0.450 475 F N 2.317 122.118 119.950 -0.250 0.000 2.593 475 F HA 0.529 4.052 4.527 -1.674 0.000 0.320 475 F C -0.485 174.948 175.800 -0.611 0.000 1.060 475 F CA -1.051 56.659 58.000 -0.483 0.000 0.940 475 F CB 2.193 40.745 39.000 -0.745 0.000 1.268 475 F HN 0.219 nan 8.300 nan 0.000 0.475 476 K N 2.817 123.059 120.400 -0.264 0.000 2.615 476 K HA 0.711 4.026 4.320 -1.674 0.000 0.249 476 K C -1.627 174.887 176.600 -0.145 0.000 0.977 476 K CA -0.246 55.923 56.287 -0.196 0.000 0.833 476 K CB 2.102 34.553 32.500 -0.081 0.000 1.208 476 K HN 0.476 nan 8.250 nan 0.000 0.443 477 L N 2.613 123.786 121.223 -0.083 0.000 2.415 477 L HA 0.612 3.947 4.340 -1.674 0.000 0.256 477 L C -2.370 174.618 176.870 0.198 0.000 1.010 477 L CA -2.392 52.458 54.840 0.015 0.000 0.826 477 L CB 2.750 44.695 42.059 -0.190 0.000 1.405 477 L HN 0.435 nan 8.230 nan 0.000 0.410 478 P HA 0.123 nan 4.420 nan 0.000 0.267 478 P C -2.330 175.149 177.300 0.298 0.000 1.328 478 P CA -1.098 62.148 63.100 0.244 0.000 0.990 478 P CB -0.193 31.630 31.700 0.205 0.000 1.168 479 P HA -0.194 nan 4.420 nan 0.000 0.024 479 P C 0.781 178.126 177.300 0.075 0.000 0.631 479 P CA 1.325 64.533 63.100 0.180 0.000 1.021 479 P CB -0.861 30.913 31.700 0.124 0.000 1.873 480 G N 0.061 108.844 108.800 -0.029 0.000 2.597 480 G HA2 0.485 3.440 3.960 -1.674 0.000 0.317 480 G HA3 0.485 3.440 3.960 -1.674 0.000 0.317 480 G C -0.762 173.746 174.900 -0.653 0.000 1.230 480 G CA -0.763 44.133 45.100 -0.340 0.000 0.996 480 G HN 0.192 nan 8.290 nan 0.000 0.490 481 E N -0.290 119.622 120.200 -0.480 0.000 2.259 481 E HA 0.364 3.710 4.350 -1.674 0.000 0.281 481 E C -1.476 174.850 176.600 -0.455 0.000 1.037 481 E CA -0.285 55.917 56.400 -0.331 0.000 0.854 481 E CB 0.939 30.563 29.700 -0.126 0.000 1.051 481 E HN 0.387 nan 8.360 nan 0.000 0.409 482 Y N 2.197 122.560 120.300 0.104 0.000 2.446 482 Y HA 0.373 3.917 4.550 -1.675 0.000 0.345 482 Y C -0.091 175.903 175.900 0.156 0.000 0.984 482 Y CA -1.377 56.802 58.100 0.133 0.000 1.058 482 Y CB 1.216 39.742 38.460 0.110 0.000 1.220 482 Y HN 0.455 nan 8.280 nan 0.000 0.455 483 I N 4.705 125.510 120.570 0.391 0.000 2.525 483 I HA 0.475 3.641 4.170 -1.674 0.000 0.301 483 I C -0.372 176.036 176.117 0.484 0.000 0.992 483 I CA -1.370 60.160 61.300 0.383 0.000 1.162 483 I CB 1.326 39.544 38.000 0.363 0.000 1.332 483 I HN 0.561 nan 8.210 nan 0.000 0.458 484 L N 3.370 124.866 121.223 0.455 0.000 2.401 484 L HA 0.806 4.142 4.340 -1.674 0.000 0.266 484 L C -1.085 176.075 176.870 0.483 0.000 0.991 484 L CA -0.913 54.225 54.840 0.497 0.000 0.818 484 L CB 2.111 44.401 42.059 0.385 0.000 1.321 484 L HN 0.122 nan 8.230 nan 0.000 0.413 485 V N 3.269 123.483 119.914 0.499 0.000 2.266 485 V HA 0.361 3.477 4.120 -1.674 0.000 0.271 485 V C -1.930 174.331 176.094 0.279 0.000 1.032 485 V CA -1.284 61.188 62.300 0.287 0.000 0.806 485 V CB 1.087 32.893 31.823 -0.029 0.000 1.052 485 V HN 0.703 nan 8.190 nan 0.000 0.449 486 P HA 0.332 nan 4.420 nan 0.000 0.269 486 P C -0.242 177.162 177.300 0.173 0.000 1.215 486 P CA 0.404 63.590 63.100 0.143 0.000 0.780 486 P CB 1.511 33.077 31.700 -0.222 0.000 0.898 487 S N -0.644 114.993 115.700 -0.106 0.000 2.701 487 S HA 0.367 3.833 4.470 -1.674 0.000 0.267 487 S C -0.334 173.769 174.600 -0.827 0.000 1.034 487 S CA -0.718 56.946 58.200 -0.893 0.000 0.867 487 S CB 0.042 63.006 63.200 -0.393 0.000 1.123 487 S HN 0.669 nan 8.310 nan 0.000 0.470 488 T N -0.774 113.232 114.554 -0.913 0.000 2.852 488 T HA 0.652 3.997 4.350 -1.674 0.000 0.281 488 T C 0.781 175.541 174.700 0.100 0.000 0.993 488 T CA -0.429 61.476 62.100 -0.325 0.000 0.933 488 T CB 0.108 68.734 68.868 -0.404 0.000 1.187 488 T HN 0.688 nan 8.240 nan 0.000 0.559 489 F N 1.736 121.712 119.950 0.043 0.000 1.990 489 F HA 0.170 3.698 4.527 -1.664 0.000 0.293 489 F C 1.543 177.169 175.800 -0.291 0.000 1.216 489 F CA 0.880 58.848 58.000 -0.053 0.000 1.155 489 F CB -0.962 38.042 39.000 0.006 0.000 0.979 489 F HN 0.782 nan 8.300 nan 0.000 0.487 490 E N 1.988 121.835 120.200 -0.588 0.000 3.368 490 E HA 0.071 3.417 4.350 -1.674 0.000 0.320 490 E C -2.177 173.909 176.600 -0.855 0.000 1.507 490 E CA -1.141 54.725 56.400 -0.890 0.000 1.600 490 E CB -1.102 28.402 29.700 -0.327 0.000 1.117 490 E HN 0.217 nan 8.360 nan 0.000 0.726 491 P HA 0.121 nan 4.420 nan 0.000 0.321 491 P C -1.062 176.099 177.300 -0.232 0.000 1.277 491 P CA -0.622 62.190 63.100 -0.480 0.000 0.839 491 P CB 0.681 32.096 31.700 -0.475 0.000 1.352 492 N N -1.008 117.642 118.700 -0.084 0.000 2.705 492 N HA -0.136 3.600 4.740 -1.674 0.000 0.255 492 N C -0.570 174.922 175.510 -0.029 0.000 1.008 492 N CA 0.453 53.507 53.050 0.007 0.000 0.742 492 N CB -0.676 37.830 38.487 0.032 0.000 0.906 492 N HN 0.276 nan 8.380 nan 0.000 0.541 493 K N 1.639 122.007 120.400 -0.053 0.000 2.473 493 K HA 0.192 3.508 4.320 -1.674 0.000 0.246 493 K C -0.713 175.945 176.600 0.096 0.000 1.011 493 K CA -0.552 55.685 56.287 -0.083 0.000 0.984 493 K CB 0.800 33.095 32.500 -0.342 0.000 1.250 493 K HN 0.095 nan 8.250 nan 0.000 0.454 494 D N 1.479 121.959 120.400 0.134 0.000 2.472 494 D HA 0.266 3.901 4.640 -1.674 0.000 0.248 494 D C 0.525 176.990 176.300 0.274 0.000 1.174 494 D CA 1.291 55.394 54.000 0.172 0.000 0.883 494 D CB 0.740 41.602 40.800 0.103 0.000 1.149 494 D HN 0.720 nan 8.370 nan 0.000 0.488 495 G N 2.206 111.152 108.800 0.243 0.000 2.338 495 G HA2 0.304 3.260 3.960 -1.674 0.000 0.295 495 G HA3 0.304 3.260 3.960 -1.674 0.000 0.295 495 G C -1.610 173.312 174.900 0.036 0.000 1.461 495 G CA -0.745 44.480 45.100 0.207 0.000 0.817 495 G HN 0.305 nan 8.290 nan 0.000 0.556 496 D N -0.934 119.408 120.400 -0.098 0.000 2.497 496 D HA 0.852 4.488 4.640 -1.674 0.000 0.243 496 D C -0.513 175.626 176.300 -0.268 0.000 1.039 496 D CA -0.004 53.796 54.000 -0.333 0.000 1.052 496 D CB 2.323 42.920 40.800 -0.338 0.000 1.344 496 D HN 0.609 nan 8.370 nan 0.000 0.553 497 F N -1.546 118.164 119.950 -0.399 0.000 2.877 497 F HA 0.604 4.121 4.527 -1.684 0.000 0.319 497 F C -1.747 173.924 175.800 -0.216 0.000 1.174 497 F CA -1.288 56.534 58.000 -0.296 0.000 0.903 497 F CB 1.019 39.761 39.000 -0.431 0.000 1.357 497 F HN 0.444 nan 8.300 nan 0.000 0.472 498 C N 2.038 121.554 119.300 0.359 0.000 2.686 498 C HA 0.811 4.266 4.460 -1.674 0.000 0.318 498 C C -1.270 173.852 174.990 0.220 0.000 1.160 498 C CA -0.620 58.532 59.018 0.224 0.000 1.396 498 C CB 0.810 28.601 27.740 0.086 0.000 1.924 498 C HN 0.782 nan 8.230 nan 0.000 0.471 499 I N 6.825 127.459 120.570 0.107 0.000 2.420 499 I HA 0.433 3.598 4.170 -1.674 0.000 0.282 499 I C 0.135 176.149 176.117 -0.171 0.000 1.019 499 I CA -0.332 60.906 61.300 -0.104 0.000 1.130 499 I CB 0.853 38.730 38.000 -0.205 0.000 1.262 499 I HN 0.692 nan 8.210 nan 0.000 0.454 500 R N 5.090 125.464 120.500 -0.209 0.000 2.691 500 R HA 0.817 4.153 4.340 -1.674 0.000 0.259 500 R C -1.034 174.980 176.300 -0.476 0.000 1.048 500 R CA -0.981 54.925 56.100 -0.324 0.000 1.086 500 R CB 2.098 32.217 30.300 -0.303 0.000 1.166 500 R HN 0.248 nan 8.270 nan 0.000 0.526 501 V N 2.162 121.709 119.914 -0.610 0.000 2.610 501 V HA 0.251 3.367 4.120 -1.674 0.000 0.288 501 V C -1.361 174.443 176.094 -0.483 0.000 1.055 501 V CA -0.651 61.352 62.300 -0.495 0.000 0.902 501 V CB 1.170 32.658 31.823 -0.558 0.000 1.030 501 V HN 0.546 nan 8.190 nan 0.000 0.448 502 F N 3.663 123.499 119.950 -0.191 0.000 2.371 502 F HA 0.586 4.109 4.527 -1.673 0.000 0.363 502 F C 1.150 176.910 175.800 -0.067 0.000 1.122 502 F CA -0.120 57.724 58.000 -0.260 0.000 1.129 502 F CB 1.537 40.087 39.000 -0.751 0.000 1.173 502 F HN 0.569 nan 8.300 nan 0.000 0.489 503 S N 1.635 117.503 115.700 0.280 0.000 2.623 503 S HA 0.484 3.950 4.470 -1.674 0.000 0.287 503 S C 0.642 175.567 174.600 0.543 0.000 1.123 503 S CA -0.644 57.792 58.200 0.393 0.000 1.016 503 S CB 1.634 65.003 63.200 0.282 0.000 1.233 503 S HN 0.538 nan 8.310 nan 0.000 0.512 504 E N 0.019 120.459 120.200 0.400 0.000 2.288 504 E HA 0.321 3.667 4.350 -1.674 0.000 0.200 504 E C -0.437 176.293 176.600 0.216 0.000 0.880 504 E CA 0.657 57.243 56.400 0.309 0.000 0.971 504 E CB 0.219 30.057 29.700 0.230 0.000 0.954 504 E HN 0.400 nan 8.360 nan 0.000 0.489 505 K N 0.860 121.380 120.400 0.199 0.000 2.328 505 K HA 0.264 3.579 4.320 -1.674 0.000 0.246 505 K C -0.728 175.961 176.600 0.148 0.000 0.955 505 K CA -0.905 55.473 56.287 0.151 0.000 0.817 505 K CB 1.678 34.252 32.500 0.123 0.000 1.208 505 K HN -0.258 nan 8.250 nan 0.000 0.432 506 K N 1.042 121.514 120.400 0.119 0.000 2.558 506 K HA 0.008 3.324 4.320 -1.674 0.000 0.269 506 K C -1.106 175.556 176.600 0.102 0.000 0.999 506 K CA 0.895 57.244 56.287 0.103 0.000 1.103 506 K CB -0.160 32.391 32.500 0.084 0.000 0.800 506 K HN 0.646 nan 8.250 nan 0.000 0.475 507 A N 4.459 127.332 122.820 0.088 0.000 2.422 507 A HA 0.367 3.682 4.320 -1.674 0.000 0.302 507 A C -1.471 176.158 177.584 0.074 0.000 1.041 507 A CA -0.881 51.200 52.037 0.073 0.000 0.708 507 A CB 1.116 20.141 19.000 0.042 0.000 1.257 507 A HN 0.702 nan 8.150 nan 0.000 0.414 508 D N 2.293 122.741 120.400 0.080 0.000 2.485 508 D HA 0.165 3.800 4.640 -1.674 0.000 0.221 508 D C -1.164 175.225 176.300 0.149 0.000 1.112 508 D CA 0.486 54.543 54.000 0.094 0.000 0.911 508 D CB 0.764 41.604 40.800 0.067 0.000 1.019 508 D HN 0.583 nan 8.370 nan 0.000 0.516 509 Y N 2.521 122.822 120.300 0.002 0.000 2.383 509 Y HA 0.144 3.689 4.550 -1.674 0.000 0.344 509 Y C 0.345 176.274 175.900 0.048 0.000 0.986 509 Y CA -0.166 57.939 58.100 0.009 0.000 1.175 509 Y CB 0.717 39.160 38.460 -0.029 0.000 1.152 509 Y HN 0.268 nan 8.280 nan 0.000 0.511 510 Q N 3.808 123.590 119.800 -0.031 0.000 3.274 510 Q HA 0.861 4.197 4.340 -1.674 0.000 0.303 510 Q C -1.526 174.392 176.000 -0.136 0.000 1.005 510 Q CA -1.498 54.239 55.803 -0.110 0.000 0.831 510 Q CB 2.001 30.718 28.738 -0.034 0.000 1.538 510 Q HN 0.669 nan 8.270 nan 0.000 0.481 511 A N 0.390 123.133 122.820 -0.128 0.000 2.455 511 A HA 0.545 3.861 4.320 -1.674 0.000 0.300 511 A C -1.203 176.278 177.584 -0.173 0.000 1.040 511 A CA -0.493 51.406 52.037 -0.230 0.000 0.697 511 A CB 1.561 20.335 19.000 -0.377 0.000 1.265 511 A HN 0.306 nan 8.150 nan 0.000 0.407 512 V N 3.374 123.187 119.914 -0.168 0.000 2.387 512 V HA 0.452 3.568 4.120 -1.674 0.000 0.260 512 V C -0.330 175.749 176.094 -0.025 0.000 1.054 512 V CA 0.613 62.859 62.300 -0.089 0.000 0.967 512 V CB 0.225 31.997 31.823 -0.085 0.000 1.036 512 V HN 0.950 nan 8.190 nan 0.000 0.481 513 D N 2.410 122.803 120.400 -0.013 0.000 2.725 513 D HA 0.262 3.898 4.640 -1.674 0.000 0.292 513 D C -1.131 175.160 176.300 -0.015 0.000 1.288 513 D CA -0.511 53.495 54.000 0.010 0.000 0.784 513 D CB 2.062 42.783 40.800 -0.132 0.000 1.308 513 D HN 0.349 nan 8.370 nan 0.000 0.429 514 D N 0.249 120.630 120.400 -0.031 0.000 2.469 514 D HA 0.448 4.084 4.640 -1.674 0.000 0.278 514 D C -0.258 176.025 176.300 -0.027 0.000 1.231 514 D CA -0.141 53.855 54.000 -0.006 0.000 1.075 514 D CB 0.671 41.490 40.800 0.032 0.000 1.121 514 D HN 0.306 nan 8.370 nan 0.000 0.571 515 E N -0.581 119.618 120.200 -0.002 0.000 2.369 515 E HA 0.375 3.720 4.350 -1.674 0.000 0.270 515 E C -0.753 175.865 176.600 0.031 0.000 0.909 515 E CA -0.888 55.508 56.400 -0.007 0.000 0.775 515 E CB 1.837 31.529 29.700 -0.014 0.000 1.270 515 E HN 0.124 nan 8.360 nan 0.000 0.445 516 I N 2.337 122.929 120.570 0.037 0.000 2.845 516 I HA -0.097 3.068 4.170 -1.674 0.000 0.290 516 I C 0.208 176.386 176.117 0.102 0.000 1.202 516 I CA 1.289 62.660 61.300 0.117 0.000 1.406 516 I CB -0.254 37.806 38.000 0.100 0.000 1.383 516 I HN 0.396 nan 8.210 nan 0.000 0.549 517 E N 6.181 126.441 120.200 0.101 0.000 2.361 517 E HA 0.669 4.015 4.350 -1.674 0.000 0.270 517 E C -1.699 174.835 176.600 -0.110 0.000 0.911 517 E CA -0.681 55.712 56.400 -0.012 0.000 0.818 517 E CB 1.241 30.935 29.700 -0.010 0.000 1.332 517 E HN 0.627 nan 8.360 nan 0.000 0.402 518 A N 4.206 126.823 122.820 -0.338 0.000 2.343 518 A HA 0.619 3.935 4.320 -1.674 0.000 0.308 518 A C -1.198 176.115 177.584 -0.452 0.000 1.092 518 A CA -0.913 50.793 52.037 -0.552 0.000 0.751 518 A CB 0.696 18.949 19.000 -1.244 0.000 1.203 518 A HN 0.638 nan 8.150 nan 0.000 0.452 519 N N 2.484 120.938 118.700 -0.410 0.000 2.653 519 N HA 0.436 4.172 4.740 -1.674 0.000 0.261 519 N C -0.913 174.396 175.510 -0.335 0.000 1.216 519 N CA -0.623 52.246 53.050 -0.302 0.000 0.784 519 N CB 0.639 39.001 38.487 -0.208 0.000 1.327 519 N HN 0.257 nan 8.380 nan 0.000 0.539 520 L N 0.009 121.026 121.223 -0.343 0.000 2.488 520 L HA 0.486 3.822 4.340 -1.674 0.000 0.249 520 L C 0.819 177.516 176.870 -0.288 0.000 1.151 520 L CA -0.457 54.186 54.840 -0.328 0.000 0.806 520 L CB -0.097 41.789 42.059 -0.289 0.000 1.261 520 L HN 0.511 nan 8.230 nan 0.000 0.484 521 E N 0.504 120.505 120.200 -0.330 0.000 2.257 521 E HA 0.133 3.478 4.350 -1.674 0.000 0.278 521 E C -0.634 175.648 176.600 -0.529 0.000 1.049 521 E CA -0.137 55.968 56.400 -0.491 0.000 0.876 521 E CB 0.698 29.986 29.700 -0.686 0.000 1.035 521 E HN 0.279 nan 8.360 nan 0.000 0.419 522 E N 3.961 123.902 120.200 -0.432 0.000 2.042 522 E HA 0.150 3.496 4.350 -1.674 0.000 0.260 522 E C -1.395 175.064 176.600 -0.234 0.000 0.975 522 E CA -0.563 55.678 56.400 -0.266 0.000 0.799 522 E CB -0.133 29.482 29.700 -0.141 0.000 1.131 522 E HN 0.220 nan 8.360 nan 0.000 0.423 523 F N 1.837 121.767 119.950 -0.033 0.000 2.459 523 F HA 0.186 3.709 4.527 -1.674 0.000 0.346 523 F C 1.480 177.284 175.800 0.007 0.000 1.128 523 F CA 0.048 58.041 58.000 -0.012 0.000 1.268 523 F CB 0.828 39.815 39.000 -0.022 0.000 1.161 523 F HN 0.376 nan 8.300 nan 0.000 0.583 524 D N 3.063 123.610 120.400 0.246 0.000 2.804 524 D HA 0.053 3.689 4.640 -1.674 0.000 0.308 524 D C -0.294 176.081 176.300 0.126 0.000 1.371 524 D CA -0.115 53.970 54.000 0.142 0.000 0.823 524 D CB 0.066 40.922 40.800 0.093 0.000 1.126 524 D HN 0.289 nan 8.370 nan 0.000 0.467 525 I N -0.170 120.488 120.570 0.147 0.000 2.710 525 I HA 0.153 3.319 4.170 -1.674 0.000 0.286 525 I C -0.240 175.920 176.117 0.072 0.000 1.181 525 I CA 0.179 61.537 61.300 0.098 0.000 1.430 525 I CB 0.313 38.382 38.000 0.114 0.000 1.367 525 I HN -0.209 nan 8.210 nan 0.000 0.577 526 S N 6.874 122.599 115.700 0.042 0.000 2.665 526 S HA 0.135 3.601 4.470 -1.674 0.000 0.230 526 S C 0.781 175.388 174.600 0.012 0.000 1.326 526 S CA -0.229 57.990 58.200 0.031 0.000 1.055 526 S CB -0.331 62.885 63.200 0.027 0.000 1.178 526 S HN 0.829 nan 8.310 nan 0.000 0.489 527 E N 1.356 121.561 120.200 0.009 0.000 3.065 527 E HA -0.286 3.060 4.350 -1.674 0.000 0.277 527 E C -0.487 176.086 176.600 -0.045 0.000 1.008 527 E CA 1.667 58.058 56.400 -0.016 0.000 0.864 527 E CB -1.107 28.590 29.700 -0.004 0.000 1.439 527 E HN 0.626 nan 8.360 nan 0.000 0.445 528 D N -0.339 120.031 120.400 -0.050 0.000 3.237 528 D HA 0.258 3.894 4.640 -1.674 0.000 0.227 528 D C -0.567 175.654 176.300 -0.130 0.000 1.378 528 D CA 0.764 54.717 54.000 -0.079 0.000 1.066 528 D CB -0.204 40.569 40.800 -0.046 0.000 1.237 528 D HN -0.011 nan 8.370 nan 0.000 0.629 529 D N -0.164 120.171 120.400 -0.108 0.000 2.739 529 D HA -0.194 3.441 4.640 -1.674 0.000 0.230 529 D C 1.274 177.390 176.300 -0.307 0.000 1.167 529 D CA 0.916 54.836 54.000 -0.133 0.000 0.640 529 D CB -1.259 39.507 40.800 -0.057 0.000 1.045 529 D HN 0.483 nan 8.370 nan 0.000 0.421 530 I N -4.848 115.529 120.570 -0.322 0.000 3.059 530 I HA -0.043 3.123 4.170 -1.674 0.000 0.270 530 I C 0.634 176.540 176.117 -0.351 0.000 1.238 530 I CA 0.493 61.520 61.300 -0.454 0.000 1.478 530 I CB 0.115 37.926 38.000 -0.315 0.000 1.097 530 I HN -0.122 nan 8.210 nan 0.000 0.455 531 D N 0.907 121.176 120.400 -0.218 0.000 2.978 531 D HA -0.334 3.302 4.640 -1.674 0.000 0.205 531 D C 1.027 177.251 176.300 -0.126 0.000 1.093 531 D CA 1.476 55.389 54.000 -0.145 0.000 1.006 531 D CB -1.147 39.572 40.800 -0.136 0.000 1.116 531 D HN 0.705 nan 8.370 nan 0.000 0.419 532 D N -1.212 119.100 120.400 -0.148 0.000 3.617 532 D HA -0.301 3.334 4.640 -1.674 0.000 0.204 532 D C 1.667 177.904 176.300 -0.105 0.000 1.692 532 D CA 2.945 56.876 54.000 -0.115 0.000 2.132 532 D CB -1.401 39.351 40.800 -0.080 0.000 1.315 532 D HN 0.516 nan 8.370 nan 0.000 0.468 533 G N 0.270 109.012 108.800 -0.096 0.000 2.507 533 G HA2 -0.201 2.754 3.960 -1.674 0.000 0.221 533 G HA3 -0.201 2.754 3.960 -1.674 0.000 0.221 533 G C 1.825 176.657 174.900 -0.114 0.000 1.119 533 G CA 1.969 47.019 45.100 -0.084 0.000 0.751 533 G HN 0.451 nan 8.290 nan 0.000 0.574 534 V N 0.548 120.367 119.914 -0.157 0.000 2.426 534 V HA 0.003 3.119 4.120 -1.674 0.000 0.242 534 V C 2.741 178.739 176.094 -0.161 0.000 1.036 534 V CA 1.350 63.522 62.300 -0.213 0.000 1.044 534 V CB -0.345 31.306 31.823 -0.287 0.000 0.688 534 V HN 0.301 nan 8.190 nan 0.000 0.462 535 R N 1.329 121.734 120.500 -0.159 0.000 2.115 535 R HA -0.253 3.083 4.340 -1.674 0.000 0.239 535 R C 2.398 178.686 176.300 -0.020 0.000 1.133 535 R CA 2.596 58.640 56.100 -0.092 0.000 0.935 535 R CB -0.767 29.470 30.300 -0.105 0.000 0.853 535 R HN 0.503 nan 8.270 nan 0.000 0.433 536 R N 0.206 120.674 120.500 -0.052 0.000 2.136 536 R HA -0.171 3.164 4.340 -1.674 0.000 0.242 536 R C 1.260 177.529 176.300 -0.051 0.000 1.131 536 R CA 1.997 58.069 56.100 -0.047 0.000 0.937 536 R CB -0.514 29.752 30.300 -0.056 0.000 0.863 536 R HN 0.194 nan 8.270 nan 0.000 0.435 537 L N 1.437 122.618 121.223 -0.070 0.000 2.994 537 L HA 0.065 3.401 4.340 -1.674 0.000 0.256 537 L C 0.458 177.292 176.870 -0.059 0.000 1.315 537 L CA 0.703 55.491 54.840 -0.087 0.000 1.143 537 L CB -0.643 41.341 42.059 -0.126 0.000 1.530 537 L HN 0.274 nan 8.230 nan 0.000 0.422 538 F N -0.000 119.821 119.950 -0.214 0.000 2.060 538 F HA 0.398 3.920 4.527 -1.674 0.000 0.218 538 F C 2.180 177.829 175.800 -0.252 0.000 1.186 538 F CA 0.474 58.297 58.000 -0.294 0.000 1.281 538 F CB -0.511 38.322 39.000 -0.278 0.000 1.741 538 F HN -0.055 nan 8.300 nan 0.000 0.359 539 A N 0.966 123.171 122.820 -1.026 0.000 2.001 539 A HA -0.377 2.939 4.320 -1.674 0.000 0.224 539 A C 1.846 179.104 177.584 -0.544 0.000 1.203 539 A CA 2.846 54.316 52.037 -0.945 0.000 0.667 539 A CB -1.651 17.098 19.000 -0.417 0.000 0.823 539 A HN 0.774 nan 8.150 nan 0.000 0.473 540 Q N -0.272 119.320 119.800 -0.347 0.000 2.541 540 Q HA 0.154 3.490 4.340 -1.674 0.000 0.215 540 Q C 1.333 177.206 176.000 -0.211 0.000 0.977 540 Q CA 1.504 57.173 55.803 -0.223 0.000 0.934 540 Q CB -0.547 28.103 28.738 -0.147 0.000 0.988 540 Q HN 0.667 nan 8.270 nan 0.000 0.521 541 L N -0.933 120.114 121.223 -0.294 0.000 2.357 541 L HA 0.299 3.635 4.340 -1.674 0.000 0.211 541 L C 2.098 178.850 176.870 -0.196 0.000 1.075 541 L CA 0.512 55.226 54.840 -0.209 0.000 0.830 541 L CB -0.296 41.640 42.059 -0.204 0.000 0.996 541 L HN 0.378 nan 8.230 nan 0.000 0.467 542 A N -0.211 122.428 122.820 -0.301 0.000 1.903 542 A HA 0.522 3.838 4.320 -1.674 0.000 0.217 542 A C 1.357 178.848 177.584 -0.155 0.000 1.387 542 A CA 1.287 53.195 52.037 -0.214 0.000 0.604 542 A CB -0.575 18.255 19.000 -0.283 0.000 1.043 542 A HN 0.382 nan 8.150 nan 0.000 0.481 543 G N -1.771 106.921 108.800 -0.179 0.000 2.152 543 G HA2 -0.011 2.945 3.960 -1.674 0.000 0.058 543 G HA3 -0.011 2.945 3.960 -1.674 0.000 0.058 543 G C 0.498 175.332 174.900 -0.109 0.000 0.966 543 G CA 0.375 45.401 45.100 -0.123 0.000 1.149 543 G HN 0.307 nan 8.290 nan 0.000 0.402 544 E N 0.776 120.930 120.200 -0.076 0.000 1.969 544 E HA -0.081 3.264 4.350 -1.674 0.000 0.204 544 E C 2.234 178.800 176.600 -0.057 0.000 0.982 544 E CA 1.410 57.775 56.400 -0.059 0.000 0.871 544 E CB -0.236 29.439 29.700 -0.041 0.000 0.815 544 E HN 0.580 nan 8.360 nan 0.000 0.527 545 D N 0.552 120.929 120.400 -0.039 0.000 2.280 545 D HA -0.211 3.425 4.640 -1.674 0.000 0.206 545 D C 0.800 177.079 176.300 -0.035 0.000 0.988 545 D CA 1.310 55.296 54.000 -0.023 0.000 0.886 545 D CB -0.411 40.387 40.800 -0.003 0.000 0.914 545 D HN 0.381 nan 8.370 nan 0.000 0.473 546 A N -0.402 122.365 122.820 -0.088 0.000 2.872 546 A HA -0.265 3.050 4.320 -1.674 0.000 0.273 546 A C 0.176 177.686 177.584 -0.124 0.000 1.442 546 A CA 1.368 53.294 52.037 -0.185 0.000 0.801 546 A CB -2.279 16.611 19.000 -0.184 0.000 1.031 546 A HN 0.558 nan 8.150 nan 0.000 0.582 547 E N -1.065 119.126 120.200 -0.015 0.000 2.334 547 E HA 0.804 4.149 4.350 -1.674 0.000 0.256 547 E C -0.005 176.657 176.600 0.102 0.000 0.958 547 E CA -0.991 55.481 56.400 0.121 0.000 0.821 547 E CB 1.107 30.877 29.700 0.118 0.000 1.269 547 E HN 0.415 nan 8.360 nan 0.000 0.413 548 I N 0.066 120.753 120.570 0.194 0.000 2.957 548 I HA 0.437 3.603 4.170 -1.674 0.000 0.310 548 I C -0.120 176.117 176.117 0.200 0.000 1.063 548 I CA -0.680 60.741 61.300 0.202 0.000 1.033 548 I CB 1.552 39.750 38.000 0.330 0.000 1.230 548 I HN 0.378 nan 8.210 nan 0.000 0.447 549 S N 0.451 116.277 115.700 0.210 0.000 2.632 549 S HA 0.703 4.168 4.470 -1.674 0.000 0.289 549 S C 0.791 175.539 174.600 0.248 0.000 1.115 549 S CA 0.197 58.537 58.200 0.233 0.000 0.889 549 S CB 1.866 65.223 63.200 0.262 0.000 1.116 549 S HN 0.788 nan 8.310 nan 0.000 0.486 550 A N 2.218 125.152 122.820 0.190 0.000 1.882 550 A HA -0.096 3.220 4.320 -1.674 0.000 0.220 550 A C 1.582 179.189 177.584 0.038 0.000 1.253 550 A CA 2.582 54.622 52.037 0.004 0.000 0.664 550 A CB -1.529 17.298 19.000 -0.289 0.000 0.838 550 A HN 0.867 nan 8.150 nan 0.000 0.460 551 F N -0.282 119.713 119.950 0.075 0.000 2.171 551 F HA -0.044 3.480 4.527 -1.672 0.000 0.300 551 F C 2.279 178.124 175.800 0.074 0.000 1.090 551 F CA 1.192 59.233 58.000 0.067 0.000 1.293 551 F CB -0.913 38.117 39.000 0.049 0.000 1.013 551 F HN 0.424 nan 8.300 nan 0.000 0.486 552 E N 0.677 121.076 120.200 0.332 0.000 2.051 552 E HA -0.226 3.119 4.350 -1.674 0.000 0.192 552 E C 2.214 178.937 176.600 0.205 0.000 0.991 552 E CA 1.018 57.542 56.400 0.208 0.000 0.799 552 E CB -0.268 29.534 29.700 0.171 0.000 0.748 552 E HN 0.280 nan 8.360 nan 0.000 0.449 553 L N 1.593 122.955 121.223 0.231 0.000 2.079 553 L HA -0.234 3.102 4.340 -1.674 0.000 0.210 553 L C 2.364 179.351 176.870 0.195 0.000 1.081 553 L CA 1.960 56.950 54.840 0.249 0.000 0.752 553 L CB -0.816 41.380 42.059 0.228 0.000 0.896 553 L HN 0.259 nan 8.230 nan 0.000 0.433 554 Q N -1.129 118.766 119.800 0.159 0.000 1.993 554 Q HA -0.215 3.121 4.340 -1.674 0.000 0.202 554 Q C 1.998 178.056 176.000 0.096 0.000 0.984 554 Q CA 2.934 58.810 55.803 0.121 0.000 0.837 554 Q CB -0.166 28.636 28.738 0.106 0.000 0.902 554 Q HN 0.713 nan 8.270 nan 0.000 0.423 555 T N -0.033 114.588 114.554 0.111 0.000 2.701 555 T HA -0.132 3.213 4.350 -1.674 0.000 0.263 555 T C 2.019 176.768 174.700 0.082 0.000 1.040 555 T CA 1.118 63.266 62.100 0.080 0.000 1.147 555 T CB -0.481 68.435 68.868 0.080 0.000 0.865 555 T HN 0.195 nan 8.240 nan 0.000 0.426 556 I N 1.740 122.380 120.570 0.117 0.000 2.074 556 I HA -0.161 3.005 4.170 -1.674 0.000 0.238 556 I C 2.631 178.841 176.117 0.154 0.000 1.037 556 I CA 1.247 62.635 61.300 0.146 0.000 1.301 556 I CB -1.581 36.551 38.000 0.221 0.000 1.016 556 I HN 0.245 nan 8.210 nan 0.000 0.400 557 L N 0.762 122.078 121.223 0.155 0.000 1.970 557 L HA -0.236 3.100 4.340 -1.674 0.000 0.212 557 L C 2.783 179.626 176.870 -0.046 0.000 1.071 557 L CA 1.947 56.835 54.840 0.080 0.000 0.751 557 L CB -1.113 40.967 42.059 0.036 0.000 0.889 557 L HN 0.341 nan 8.230 nan 0.000 0.432 558 R N -0.205 120.249 120.500 -0.077 0.000 2.103 558 R HA -0.221 3.114 4.340 -1.674 0.000 0.242 558 R C 2.219 178.483 176.300 -0.059 0.000 1.142 558 R CA 1.617 57.647 56.100 -0.116 0.000 0.960 558 R CB -0.325 29.934 30.300 -0.068 0.000 0.858 558 R HN 0.260 nan 8.270 nan 0.000 0.439 559 R N 0.524 121.023 120.500 -0.002 0.000 2.395 559 R HA -0.019 3.317 4.340 -1.674 0.000 0.203 559 R C -0.630 175.693 176.300 0.038 0.000 1.076 559 R CA 0.428 56.540 56.100 0.019 0.000 1.059 559 R CB 0.213 30.536 30.300 0.039 0.000 0.860 559 R HN 0.051 nan 8.270 nan 0.000 0.476 560 V N 2.288 122.218 119.914 0.027 0.000 2.266 560 V HA 0.352 3.467 4.120 -1.674 0.000 0.266 560 V C -0.871 175.203 176.094 -0.034 0.000 1.036 560 V CA -0.667 61.672 62.300 0.064 0.000 0.828 560 V CB 0.856 32.786 31.823 0.179 0.000 1.081 560 V HN 0.121 nan 8.190 nan 0.000 0.449 561 L N 2.698 123.900 121.223 -0.034 0.000 2.940 561 L HA 0.809 4.145 4.340 -1.674 0.000 0.247 561 L C -0.583 176.259 176.870 -0.046 0.000 0.970 561 L CA 0.515 55.309 54.840 -0.077 0.000 1.003 561 L CB 1.785 43.757 42.059 -0.145 0.000 1.552 561 L HN 0.609 nan 8.230 nan 0.000 0.432 562 A N 2.800 125.593 122.820 -0.046 0.000 2.112 562 A HA 0.344 3.660 4.320 -1.674 0.000 0.228 562 A C -0.306 177.265 177.584 -0.022 0.000 2.862 562 A CA 0.235 52.256 52.037 -0.027 0.000 1.932 562 A CB -1.019 17.975 19.000 -0.009 0.000 0.252 562 A HN 0.657 nan 8.150 nan 0.000 0.821 563 K N 0.064 120.441 120.400 -0.037 0.000 2.313 563 K HA 0.416 3.732 4.320 -1.674 0.000 0.215 563 K C 0.866 177.452 176.600 -0.023 0.000 1.109 563 K CA 0.693 56.963 56.287 -0.027 0.000 0.895 563 K CB -0.101 32.377 32.500 -0.038 0.000 1.234 563 K HN 0.406 nan 8.250 nan 0.000 0.463 569 S N 2.087 117.793 115.700 0.009 0.000 2.574 569 S HA -0.072 3.394 4.470 -1.674 0.000 0.302 569 S C -0.151 174.430 174.600 -0.032 0.000 1.270 569 S CA 1.326 59.513 58.200 -0.022 0.000 1.040 569 S CB 0.004 63.154 63.200 -0.083 0.000 0.767 569 S HN 0.403 nan 8.310 nan 0.000 0.494 570 D N 2.201 122.578 120.400 -0.038 0.000 3.117 570 D HA 0.342 3.977 4.640 -1.674 0.000 0.241 570 D C 0.369 176.627 176.300 -0.070 0.000 1.385 570 D CA 0.881 54.853 54.000 -0.047 0.000 0.855 570 D CB -0.278 40.517 40.800 -0.008 0.000 1.498 570 D HN 0.972 nan 8.370 nan 0.000 0.584 571 G N 0.920 109.606 108.800 -0.191 0.000 2.606 571 G HA2 -0.218 2.738 3.960 -1.674 0.000 0.285 571 G HA3 -0.218 2.738 3.960 -1.674 0.000 0.285 571 G C -0.332 174.483 174.900 -0.142 0.000 1.311 571 G CA 0.141 45.020 45.100 -0.369 0.000 0.922 571 G HN 0.298 nan 8.290 nan 0.000 0.559 572 F N 0.666 120.626 119.950 0.017 0.000 2.470 572 F HA 0.675 4.198 4.527 -1.672 0.000 0.329 572 F C 1.216 177.023 175.800 0.011 0.000 1.072 572 F CA -0.829 57.184 58.000 0.022 0.000 0.989 572 F CB 1.415 40.431 39.000 0.026 0.000 1.193 572 F HN 0.828 nan 8.300 nan 0.000 0.481 573 S N 1.692 117.517 115.700 0.207 0.000 2.596 573 S HA 0.182 3.647 4.470 -1.674 0.000 0.260 573 S C 1.258 175.904 174.600 0.076 0.000 1.336 573 S CA -0.563 57.698 58.200 0.102 0.000 0.993 573 S CB 0.465 63.702 63.200 0.062 0.000 0.923 573 S HN 0.762 nan 8.310 nan 0.000 0.567 574 I N 0.515 121.097 120.570 0.021 0.000 2.202 574 I HA -0.149 3.017 4.170 -1.674 0.000 0.242 574 I C 2.291 178.367 176.117 -0.068 0.000 1.091 574 I CA 1.662 62.934 61.300 -0.046 0.000 1.368 574 I CB -0.477 37.441 38.000 -0.136 0.000 1.058 574 I HN 0.805 nan 8.210 nan 0.000 0.410 575 E N 0.626 120.795 120.200 -0.052 0.000 2.136 575 E HA -0.282 3.063 4.350 -1.674 0.000 0.208 575 E C 1.929 178.498 176.600 -0.052 0.000 1.035 575 E CA 2.685 59.054 56.400 -0.051 0.000 0.838 575 E CB -0.597 29.090 29.700 -0.022 0.000 0.748 575 E HN 0.540 nan 8.360 nan 0.000 0.459 576 T N 0.090 114.619 114.554 -0.043 0.000 2.529 576 T HA -0.262 3.084 4.350 -1.674 0.000 0.261 576 T C 2.061 176.734 174.700 -0.044 0.000 1.110 576 T CA 1.605 63.658 62.100 -0.077 0.000 1.192 576 T CB -0.921 67.883 68.868 -0.107 0.000 0.864 576 T HN 0.322 nan 8.240 nan 0.000 0.407 577 C N 1.374 120.683 119.300 0.014 0.000 2.336 577 C HA -0.190 3.265 4.460 -1.674 0.000 0.272 577 C C 2.720 177.695 174.990 -0.024 0.000 1.160 577 C CA 1.282 60.318 59.018 0.030 0.000 1.783 577 C CB -1.065 26.698 27.740 0.038 0.000 2.050 577 C HN 0.603 nan 8.230 nan 0.000 0.443 578 K N 0.269 120.620 120.400 -0.081 0.000 2.144 578 K HA -0.168 3.147 4.320 -1.674 0.000 0.209 578 K C 1.657 178.227 176.600 -0.050 0.000 1.047 578 K CA 1.623 57.847 56.287 -0.104 0.000 0.927 578 K CB -0.367 32.052 32.500 -0.134 0.000 0.716 578 K HN 0.478 nan 8.250 nan 0.000 0.454 579 I N -0.078 120.469 120.570 -0.039 0.000 3.265 579 I HA -0.049 3.116 4.170 -1.674 0.000 0.282 579 I C 1.435 177.547 176.117 -0.007 0.000 1.207 579 I CA 0.517 61.804 61.300 -0.023 0.000 1.449 579 I CB -0.310 37.671 38.000 -0.031 0.000 1.121 579 I HN 0.250 nan 8.210 nan 0.000 0.442 580 M N 0.339 119.934 119.600 -0.010 0.000 2.110 580 M HA -0.216 3.260 4.480 -1.674 0.000 0.257 580 M C 2.350 178.665 176.300 0.025 0.000 1.071 580 M CA 1.671 56.975 55.300 0.007 0.000 1.096 580 M CB -1.307 31.306 32.600 0.022 0.000 1.300 580 M HN 0.035 nan 8.290 nan 0.000 0.411 581 V N 0.828 120.762 119.914 0.033 0.000 2.219 581 V HA -0.312 2.804 4.120 -1.674 0.000 0.248 581 V C 2.017 178.137 176.094 0.043 0.000 1.053 581 V CA 2.337 64.667 62.300 0.050 0.000 1.009 581 V CB -1.027 30.825 31.823 0.048 0.000 0.636 581 V HN 0.363 nan 8.190 nan 0.000 0.445 582 D N -0.629 119.787 120.400 0.027 0.000 2.220 582 D HA -0.243 3.392 4.640 -1.674 0.000 0.198 582 D C 1.926 178.253 176.300 0.044 0.000 1.001 582 D CA 1.662 55.679 54.000 0.029 0.000 0.875 582 D CB -0.294 40.514 40.800 0.014 0.000 0.921 582 D HN 0.475 nan 8.370 nan 0.000 0.454 583 M N -0.601 119.027 119.600 0.046 0.000 2.659 583 M HA 0.025 3.501 4.480 -1.674 0.000 0.243 583 M C 0.544 176.880 176.300 0.061 0.000 1.111 583 M CA 0.757 56.093 55.300 0.061 0.000 1.070 583 M CB 0.269 32.905 32.600 0.061 0.000 1.525 583 M HN -0.020 nan 8.290 nan 0.000 0.517 584 L N -2.008 119.249 121.223 0.057 0.000 2.953 584 L HA 0.239 3.574 4.340 -1.674 0.000 0.258 584 L C 0.435 177.343 176.870 0.063 0.000 1.100 584 L CA -0.294 54.581 54.840 0.060 0.000 0.971 584 L CB 0.064 42.157 42.059 0.057 0.000 1.474 584 L HN -0.013 nan 8.230 nan 0.000 0.540 585 D N 0.756 121.193 120.400 0.062 0.000 2.429 585 D HA -0.031 3.604 4.640 -1.674 0.000 0.253 585 D C 1.100 177.431 176.300 0.052 0.000 1.294 585 D CA 0.450 54.486 54.000 0.060 0.000 1.063 585 D CB 0.984 41.818 40.800 0.057 0.000 1.096 585 D HN 0.047 nan 8.370 nan 0.000 0.516 586 S N 3.065 118.797 115.700 0.054 0.000 2.356 586 S HA -0.156 3.309 4.470 -1.674 0.000 0.219 586 S C 1.304 175.929 174.600 0.041 0.000 1.036 586 S CA 1.011 59.240 58.200 0.049 0.000 0.965 586 S CB -0.135 63.095 63.200 0.051 0.000 0.864 586 S HN 0.607 nan 8.310 nan 0.000 0.471 587 D N 0.443 120.868 120.400 0.042 0.000 2.357 587 D HA 0.070 3.706 4.640 -1.674 0.000 0.216 587 D C 1.344 177.663 176.300 0.031 0.000 0.973 587 D CA 1.005 55.027 54.000 0.036 0.000 0.912 587 D CB -1.117 39.708 40.800 0.040 0.000 0.900 587 D HN 0.605 nan 8.370 nan 0.000 0.501 588 G N -0.509 108.309 108.800 0.031 0.000 2.147 588 G HA2 -0.348 2.608 3.960 -1.674 0.000 0.244 588 G HA3 -0.348 2.608 3.960 -1.674 0.000 0.244 588 G C 1.015 175.931 174.900 0.028 0.000 1.005 588 G CA 0.971 46.084 45.100 0.023 0.000 0.713 588 G HN 0.661 nan 8.290 nan 0.000 0.515 589 S N -0.973 114.750 115.700 0.039 0.000 2.354 589 S HA 0.484 3.950 4.470 -1.674 0.000 0.200 589 S C 1.954 176.586 174.600 0.053 0.000 1.055 589 S CA 1.718 59.945 58.200 0.046 0.000 1.077 589 S CB -0.035 63.198 63.200 0.055 0.000 0.992 589 S HN 2.131 nan 8.310 nan 0.000 0.423 590 G N 0.103 108.944 108.800 0.068 0.000 3.290 590 G HA2 0.111 3.067 3.960 -1.674 0.000 0.220 590 G HA3 0.111 3.067 3.960 -1.674 0.000 0.220 590 G C -0.305 174.660 174.900 0.108 0.000 0.940 590 G CA -0.389 44.761 45.100 0.084 0.000 0.884 590 G HN 0.586 nan 8.290 nan 0.000 0.649 591 K N -0.412 120.051 120.400 0.105 0.000 2.466 591 K HA 0.847 4.163 4.320 -1.674 0.000 0.260 591 K C -1.062 175.622 176.600 0.140 0.000 1.011 591 K CA -0.886 55.478 56.287 0.129 0.000 0.871 591 K CB 2.263 34.834 32.500 0.117 0.000 1.404 591 K HN 0.045 nan 8.250 nan 0.000 0.450 592 L N 0.412 121.746 121.223 0.185 0.000 2.381 592 L HA 0.585 3.920 4.340 -1.674 0.000 0.268 592 L C 0.224 177.240 176.870 0.242 0.000 0.997 592 L CA -0.908 54.054 54.840 0.204 0.000 0.818 592 L CB 2.121 44.330 42.059 0.250 0.000 1.310 592 L HN 0.804 nan 8.230 nan 0.000 0.416 593 G N 0.624 109.527 108.800 0.171 0.000 2.613 593 G HA2 0.444 3.399 3.960 -1.674 0.000 0.303 593 G HA3 0.444 3.399 3.960 -1.674 0.000 0.303 593 G C 0.949 175.769 174.900 -0.133 0.000 1.312 593 G CA -0.671 44.510 45.100 0.135 0.000 1.036 593 G HN 0.748 nan 8.290 nan 0.000 0.513 594 L N -1.023 119.932 121.223 -0.447 0.000 1.997 594 L HA -0.184 3.152 4.340 -1.674 0.000 0.216 594 L C 2.744 179.476 176.870 -0.230 0.000 1.074 594 L CA 2.250 56.630 54.840 -0.767 0.000 0.763 594 L CB -0.970 40.781 42.059 -0.513 0.000 0.890 594 L HN 0.490 nan 8.230 nan 0.000 0.434 595 K N 1.714 122.072 120.400 -0.071 0.000 2.000 595 K HA -0.243 3.073 4.320 -1.674 0.000 0.218 595 K C 1.879 178.544 176.600 0.109 0.000 1.053 595 K CA 2.251 58.571 56.287 0.054 0.000 0.946 595 K CB -1.334 31.196 32.500 0.050 0.000 0.723 595 K HN 0.764 nan 8.250 nan 0.000 0.446 596 E N 0.906 121.156 120.200 0.084 0.000 2.031 596 E HA -0.207 3.139 4.350 -1.674 0.000 0.193 596 E C 2.282 178.938 176.600 0.094 0.000 0.994 596 E CA 1.086 57.535 56.400 0.083 0.000 0.800 596 E CB -1.003 28.749 29.700 0.087 0.000 0.752 596 E HN 0.351 nan 8.360 nan 0.000 0.447 597 F N 1.498 121.445 119.950 -0.006 0.000 2.184 597 F HA -0.299 3.225 4.527 -1.672 0.000 0.301 597 F C 2.425 178.279 175.800 0.089 0.000 1.076 597 F CA 1.679 59.697 58.000 0.031 0.000 1.295 597 F CB -0.243 38.725 39.000 -0.053 0.000 1.026 597 F HN 0.058 nan 8.300 nan 0.000 0.494 598 Y N 1.116 121.471 120.300 0.091 0.000 2.109 598 Y HA -0.202 3.344 4.550 -1.672 0.000 0.285 598 Y C 2.129 178.042 175.900 0.021 0.000 1.131 598 Y CA 1.816 59.947 58.100 0.052 0.000 1.121 598 Y CB -1.013 37.422 38.460 -0.042 0.000 0.987 598 Y HN 0.125 nan 8.280 nan 0.000 0.495 599 I N -0.265 120.150 120.570 -0.257 0.000 2.113 599 I HA -0.356 2.810 4.170 -1.674 0.000 0.242 599 I C 2.407 178.375 176.117 -0.248 0.000 1.064 599 I CA 1.393 62.509 61.300 -0.307 0.000 1.320 599 I CB -0.906 37.042 38.000 -0.086 0.000 1.028 599 I HN 0.302 nan 8.210 nan 0.000 0.406 600 L N 1.423 122.534 121.223 -0.187 0.000 1.933 600 L HA -0.293 3.043 4.340 -1.674 0.000 0.220 600 L C 2.335 179.064 176.870 -0.236 0.000 1.078 600 L CA 2.145 56.853 54.840 -0.220 0.000 0.773 600 L CB -1.601 40.302 42.059 -0.259 0.000 0.890 600 L HN 0.524 nan 8.230 nan 0.000 0.434 601 W N 0.334 121.384 121.300 -0.416 0.000 2.262 601 W HA -0.420 3.238 4.660 -1.670 0.000 0.331 601 W C 2.442 178.845 176.519 -0.195 0.000 1.315 601 W CA 3.445 60.629 57.345 -0.268 0.000 1.302 601 W CB -1.000 28.383 29.460 -0.128 0.000 1.128 601 W HN 0.507 nan 8.180 nan 0.000 0.482 602 T N 0.153 114.663 114.554 -0.074 0.000 2.857 602 T HA -0.166 3.180 4.350 -1.674 0.000 0.266 602 T C 2.035 176.568 174.700 -0.279 0.000 1.048 602 T CA 1.982 63.981 62.100 -0.167 0.000 1.139 602 T CB -0.293 68.385 68.868 -0.316 0.000 0.874 602 T HN 0.161 nan 8.240 nan 0.000 0.455 603 K N 0.277 120.464 120.400 -0.354 0.000 2.026 603 K HA -0.047 3.269 4.320 -1.674 0.000 0.208 603 K C 2.285 178.422 176.600 -0.770 0.000 1.048 603 K CA 1.512 57.458 56.287 -0.568 0.000 0.929 603 K CB -0.293 31.836 32.500 -0.618 0.000 0.713 603 K HN 0.342 nan 8.250 nan 0.000 0.439 604 I N 1.855 122.094 120.570 -0.551 0.000 2.068 604 I HA -0.355 2.811 4.170 -1.674 0.000 0.238 604 I C 2.431 178.419 176.117 -0.215 0.000 1.046 604 I CA 1.590 62.706 61.300 -0.307 0.000 1.306 604 I CB -1.439 36.427 38.000 -0.223 0.000 1.023 604 I HN 0.318 nan 8.210 nan 0.000 0.399 605 Q N 0.586 120.180 119.800 -0.343 0.000 2.124 605 Q HA -0.309 3.027 4.340 -1.674 0.000 0.215 605 Q C 2.158 178.120 176.000 -0.063 0.000 1.015 605 Q CA 2.338 57.999 55.803 -0.236 0.000 0.890 605 Q CB -0.704 27.886 28.738 -0.246 0.000 0.966 605 Q HN 0.406 nan 8.270 nan 0.000 0.412 606 K N 0.145 120.490 120.400 -0.092 0.000 1.969 606 K HA -0.159 3.156 4.320 -1.674 0.000 0.216 606 K C 2.041 178.746 176.600 0.176 0.000 1.048 606 K CA 1.391 57.688 56.287 0.016 0.000 0.948 606 K CB -0.886 31.593 32.500 -0.035 0.000 0.726 606 K HN 0.125 nan 8.250 nan 0.000 0.442 607 Y N 1.488 121.808 120.300 0.034 0.000 1.967 607 Y HA -0.364 3.185 4.550 -1.667 0.000 0.255 607 Y C 2.563 178.630 175.900 0.278 0.000 1.197 607 Y CA 2.059 60.185 58.100 0.042 0.000 1.088 607 Y CB -1.561 36.813 38.460 -0.143 0.000 0.917 607 Y HN 0.450 nan 8.280 nan 0.000 0.497 608 Q N 0.517 120.671 119.800 0.591 0.000 2.242 608 Q HA -0.300 3.036 4.340 -1.674 0.000 0.211 608 Q C 2.322 178.591 176.000 0.449 0.000 0.992 608 Q CA 2.418 58.636 55.803 0.692 0.000 0.889 608 Q CB -0.240 28.707 28.738 0.348 0.000 0.913 608 Q HN 0.535 nan 8.270 nan 0.000 0.422 609 K N 0.121 120.694 120.400 0.289 0.000 2.147 609 K HA -0.157 3.159 4.320 -1.674 0.000 0.205 609 K C 1.875 178.612 176.600 0.227 0.000 1.049 609 K CA 1.479 57.890 56.287 0.207 0.000 0.936 609 K CB -0.100 32.485 32.500 0.141 0.000 0.722 609 K HN 0.346 nan 8.250 nan 0.000 0.446 610 I N -0.521 120.222 120.570 0.288 0.000 2.277 610 I HA -0.204 2.962 4.170 -1.674 0.000 0.243 610 I C 2.229 178.457 176.117 0.185 0.000 1.094 610 I CA 0.784 62.220 61.300 0.227 0.000 1.393 610 I CB -0.532 37.628 38.000 0.266 0.000 1.078 610 I HN 0.108 nan 8.210 nan 0.000 0.417 611 Y N 2.105 122.524 120.300 0.199 0.000 2.114 611 Y HA -0.278 3.270 4.550 -1.670 0.000 0.282 611 Y C 2.776 178.740 175.900 0.107 0.000 1.165 611 Y CA 1.691 59.829 58.100 0.063 0.000 1.148 611 Y CB -0.041 38.644 38.460 0.375 0.000 0.972 611 Y HN -0.046 nan 8.280 nan 0.000 0.504 612 R N 0.292 121.013 120.500 0.369 0.000 2.075 612 R HA -0.124 3.212 4.340 -1.674 0.000 0.232 612 R C 2.004 178.366 176.300 0.103 0.000 1.126 612 R CA 1.370 57.604 56.100 0.223 0.000 0.963 612 R CB -0.916 29.503 30.300 0.199 0.000 0.858 612 R HN 0.298 nan 8.270 nan 0.000 0.435 613 E N 0.255 120.513 120.200 0.096 0.000 2.455 613 E HA -0.102 3.243 4.350 -1.674 0.000 0.202 613 E C 0.935 177.540 176.600 0.007 0.000 1.045 613 E CA 0.761 57.192 56.400 0.052 0.000 0.872 613 E CB 0.007 29.744 29.700 0.062 0.000 0.792 613 E HN 0.184 nan 8.360 nan 0.000 0.542 614 I N -0.590 119.960 120.570 -0.034 0.000 4.197 614 I HA 0.016 3.182 4.170 -1.674 0.000 0.307 614 I C 0.576 176.621 176.117 -0.120 0.000 1.236 614 I CA 0.056 61.300 61.300 -0.093 0.000 1.321 614 I CB 0.351 38.256 38.000 -0.158 0.000 1.309 614 I HN -0.134 nan 8.210 nan 0.000 0.450 615 D N 2.144 122.456 120.400 -0.147 0.000 2.767 615 D HA 0.008 3.644 4.640 -1.674 0.000 0.231 615 D C 0.919 177.216 176.300 -0.004 0.000 1.105 615 D CA 0.101 54.038 54.000 -0.106 0.000 1.024 615 D CB 0.068 40.837 40.800 -0.052 0.000 1.123 615 D HN 0.142 nan 8.370 nan 0.000 0.470 616 V N -0.298 119.608 119.914 -0.014 0.000 2.852 616 V HA 0.094 3.210 4.120 -1.674 0.000 0.313 616 V C -0.160 175.944 176.094 0.017 0.000 1.466 616 V CA 0.089 62.394 62.300 0.007 0.000 1.531 616 V CB -0.991 30.832 31.823 -0.000 0.000 1.184 616 V HN 0.078 nan 8.190 nan 0.000 0.429 617 D N 0.556 120.974 120.400 0.030 0.000 3.557 617 D HA 0.532 4.168 4.640 -1.674 0.000 0.331 617 D C -0.050 176.281 176.300 0.051 0.000 1.442 617 D CA -0.555 53.466 54.000 0.035 0.000 0.971 617 D CB 0.779 41.598 40.800 0.031 0.000 1.423 617 D HN 0.414 nan 8.370 nan 0.000 0.604 618 R N -0.281 120.249 120.500 0.050 0.000 2.795 618 R HA 0.486 3.822 4.340 -1.674 0.000 0.320 618 R C 0.081 176.420 176.300 0.064 0.000 1.223 618 R CA -0.329 55.804 56.100 0.055 0.000 1.305 618 R CB -0.057 30.265 30.300 0.036 0.000 1.318 618 R HN 0.213 nan 8.270 nan 0.000 0.636 619 S N -0.530 115.224 115.700 0.089 0.000 2.506 619 S HA 0.240 3.706 4.470 -1.674 0.000 0.230 619 S C 1.500 176.184 174.600 0.140 0.000 1.066 619 S CA 0.311 58.569 58.200 0.096 0.000 0.940 619 S CB -0.146 63.106 63.200 0.086 0.000 0.818 619 S HN 0.804 nan 8.310 nan 0.000 0.518 620 G N 1.892 110.831 108.800 0.231 0.000 2.272 620 G HA2 -0.101 2.855 3.960 -1.674 0.000 0.280 620 G HA3 -0.101 2.855 3.960 -1.674 0.000 0.280 620 G C 0.082 175.202 174.900 0.367 0.000 1.067 620 G CA 0.493 45.776 45.100 0.306 0.000 0.902 620 G HN 1.654 nan 8.290 nan 0.000 0.500 621 T N -3.110 111.678 114.554 0.390 0.000 3.395 621 T HA 0.685 4.030 4.350 -1.674 0.000 0.330 621 T C -0.550 174.188 174.700 0.064 0.000 1.076 621 T CA -0.178 62.079 62.100 0.260 0.000 1.070 621 T CB 1.599 70.551 68.868 0.140 0.000 1.119 621 T HN 1.558 nan 8.240 nan 0.000 0.462 622 M N 1.693 121.265 119.600 -0.047 0.000 2.465 622 M HA 0.591 4.067 4.480 -1.674 0.000 0.316 622 M C -0.438 175.806 176.300 -0.093 0.000 1.121 622 M CA -0.824 54.348 55.300 -0.214 0.000 0.934 622 M CB 1.341 33.589 32.600 -0.587 0.000 1.692 622 M HN 0.418 nan 8.290 nan 0.000 0.444 623 N N 1.484 120.157 118.700 -0.046 0.000 2.407 623 N HA 0.009 3.745 4.740 -1.674 0.000 0.250 623 N C 0.177 175.702 175.510 0.025 0.000 1.236 623 N CA 0.205 53.280 53.050 0.042 0.000 0.879 623 N CB 0.784 39.329 38.487 0.097 0.000 1.088 623 N HN 0.850 nan 8.380 nan 0.000 0.450 624 S N 1.801 117.520 115.700 0.033 0.000 2.383 624 S HA -0.172 3.294 4.470 -1.674 0.000 0.229 624 S C 1.430 175.968 174.600 -0.103 0.000 1.030 624 S CA 1.162 59.319 58.200 -0.070 0.000 1.002 624 S CB -0.410 62.702 63.200 -0.147 0.000 0.829 624 S HN 0.571 nan 8.310 nan 0.000 0.467 625 Y N 2.150 122.455 120.300 0.009 0.000 2.384 625 Y HA -0.099 4.443 4.550 -0.013 0.000 0.289 625 Y C 2.476 178.422 175.900 0.076 0.000 1.152 625 Y CA 0.809 58.935 58.100 0.043 0.000 1.258 625 Y CB -0.333 38.168 38.460 0.068 0.000 0.979 625 Y HN 0.168 nan 8.280 nan 0.000 0.549 626 E N -0.605 119.676 120.200 0.136 0.000 2.047 626 E HA -0.208 3.138 4.350 -1.674 0.000 0.191 626 E C 2.258 178.862 176.600 0.006 0.000 0.987 626 E CA 0.769 57.199 56.400 0.050 0.000 0.799 626 E CB -0.470 29.181 29.700 -0.082 0.000 0.752 626 E HN 0.374 nan 8.360 nan 0.000 0.449 627 M N 0.588 120.153 119.600 -0.059 0.000 2.195 627 M HA -0.265 3.211 4.480 -1.674 0.000 0.254 627 M C 2.206 178.492 176.300 -0.024 0.000 1.083 627 M CA 1.465 56.723 55.300 -0.070 0.000 1.069 627 M CB -0.657 31.897 32.600 -0.077 0.000 1.364 627 M HN 0.065 nan 8.290 nan 0.000 0.403 628 R N -0.163 120.360 120.500 0.039 0.000 2.062 628 R HA -0.202 3.134 4.340 -1.674 0.000 0.231 628 R C 2.171 178.562 176.300 0.150 0.000 1.136 628 R CA 1.935 58.095 56.100 0.099 0.000 0.948 628 R CB -0.113 30.342 30.300 0.258 0.000 0.845 628 R HN 0.099 nan 8.270 nan 0.000 0.430 629 K N 0.657 121.172 120.400 0.192 0.000 1.971 629 K HA -0.167 3.149 4.320 -1.674 0.000 0.221 629 K C 1.766 178.429 176.600 0.105 0.000 1.050 629 K CA 2.190 58.574 56.287 0.161 0.000 0.967 629 K CB -0.869 31.706 32.500 0.126 0.000 0.733 629 K HN 0.272 nan 8.250 nan 0.000 0.445 630 A N 0.790 123.646 122.820 0.060 0.000 1.883 630 A HA -0.323 2.992 4.320 -1.674 0.000 0.226 630 A C 2.288 179.963 177.584 0.151 0.000 1.512 630 A CA 2.909 54.991 52.037 0.075 0.000 0.738 630 A CB -1.514 17.476 19.000 -0.015 0.000 0.848 630 A HN 0.439 nan 8.150 nan 0.000 0.477 631 L N -0.946 120.362 121.223 0.141 0.000 2.103 631 L HA -0.317 3.019 4.340 -1.674 0.000 0.215 631 L C 2.681 179.661 176.870 0.183 0.000 1.080 631 L CA 2.172 57.119 54.840 0.177 0.000 0.764 631 L CB -0.659 41.427 42.059 0.046 0.000 0.890 631 L HN 0.743 nan 8.230 nan 0.000 0.435 632 E N 0.210 120.487 120.200 0.129 0.000 2.077 632 E HA -0.231 3.115 4.350 -1.674 0.000 0.193 632 E C 2.031 178.667 176.600 0.061 0.000 0.989 632 E CA 1.217 57.677 56.400 0.099 0.000 0.800 632 E CB 0.061 29.825 29.700 0.107 0.000 0.746 632 E HN 0.511 nan 8.360 nan 0.000 0.452 633 E N 0.109 120.357 120.200 0.079 0.000 2.051 633 E HA -0.183 3.163 4.350 -1.674 0.000 0.192 633 E C 1.880 178.508 176.600 0.047 0.000 0.991 633 E CA 1.055 57.495 56.400 0.066 0.000 0.799 633 E CB -0.154 29.606 29.700 0.099 0.000 0.748 633 E HN 0.328 nan 8.360 nan 0.000 0.449 634 A N 0.407 123.276 122.820 0.081 0.000 2.239 634 A HA 0.199 3.514 4.320 -1.674 0.000 0.209 634 A C 1.526 178.958 177.584 -0.253 0.000 1.171 634 A CA 0.906 52.961 52.037 0.029 0.000 0.768 634 A CB -0.419 18.672 19.000 0.151 0.000 0.790 634 A HN 0.333 nan 8.150 nan 0.000 0.478 635 G N -1.917 106.757 108.800 -0.209 0.000 2.182 635 G HA2 -0.221 2.735 3.960 -1.674 0.000 0.248 635 G HA3 -0.221 2.735 3.960 -1.674 0.000 0.248 635 G C -0.306 174.296 174.900 -0.497 0.000 1.042 635 G CA 0.151 45.035 45.100 -0.358 0.000 0.775 635 G HN 0.358 nan 8.290 nan 0.000 0.501 636 F N 0.034 119.949 119.950 -0.058 0.000 2.493 636 F HA 0.662 4.186 4.527 -1.673 0.000 0.329 636 F C 0.408 176.205 175.800 -0.004 0.000 1.126 636 F CA -0.919 57.048 58.000 -0.055 0.000 0.937 636 F CB 2.181 41.167 39.000 -0.023 0.000 1.146 636 F HN -0.066 nan 8.300 nan 0.000 0.442 637 K N 5.152 125.682 120.400 0.216 0.000 2.397 637 K HA 0.827 4.143 4.320 -1.674 0.000 0.253 637 K C -0.980 175.745 176.600 0.209 0.000 0.932 637 K CA -0.801 55.596 56.287 0.182 0.000 0.795 637 K CB 2.508 35.075 32.500 0.113 0.000 1.159 637 K HN 0.744 nan 8.250 nan 0.000 0.424 638 M N 0.462 120.237 119.600 0.292 0.000 2.520 638 M HA 0.504 3.980 4.480 -1.674 0.000 0.280 638 M C -3.033 173.327 176.300 0.100 0.000 1.232 638 M CA -2.394 53.056 55.300 0.251 0.000 0.892 638 M CB 1.887 34.650 32.600 0.271 0.000 1.728 638 M HN 0.140 nan 8.290 nan 0.000 0.475 639 P HA 0.263 nan 4.420 nan 0.000 0.273 639 P C 0.264 177.302 177.300 -0.436 0.000 1.250 639 P CA -0.436 62.506 63.100 -0.263 0.000 0.793 639 P CB 0.583 32.182 31.700 -0.168 0.000 1.011 640 C N -0.846 118.173 119.300 -0.467 0.000 2.385 640 C HA -0.171 3.285 4.460 -1.674 0.000 0.275 640 C C 2.709 177.526 174.990 -0.289 0.000 1.207 640 C CA 0.984 59.729 59.018 -0.456 0.000 1.760 640 C CB -1.467 26.068 27.740 -0.342 0.000 2.051 640 C HN 0.597 nan 8.230 nan 0.000 0.467 641 Q N 0.336 120.010 119.800 -0.209 0.000 2.062 641 Q HA -0.168 3.168 4.340 -1.674 0.000 0.209 641 Q C 2.227 178.168 176.000 -0.098 0.000 0.996 641 Q CA 1.706 57.419 55.803 -0.149 0.000 0.859 641 Q CB -0.670 27.986 28.738 -0.136 0.000 0.920 641 Q HN 0.516 nan 8.270 nan 0.000 0.415 642 L N 0.100 121.294 121.223 -0.049 0.000 1.989 642 L HA -0.216 3.120 4.340 -1.674 0.000 0.211 642 L C 2.349 179.258 176.870 0.065 0.000 1.071 642 L CA 1.931 56.776 54.840 0.008 0.000 0.749 642 L CB -1.955 40.133 42.059 0.048 0.000 0.890 642 L HN 0.498 nan 8.230 nan 0.000 0.431 643 H N -0.362 118.636 119.070 -0.119 0.000 2.394 643 H HA -0.220 3.319 4.556 -1.694 0.000 0.297 643 H C 2.266 177.521 175.328 -0.122 0.000 1.113 643 H CA 1.388 57.368 56.048 -0.113 0.000 1.277 643 H CB 0.167 29.847 29.762 -0.136 0.000 1.370 643 H HN 0.545 nan 8.280 nan 0.000 0.506 644 Q N 0.520 120.321 119.800 0.001 0.000 1.975 644 Q HA -0.131 3.204 4.340 -1.674 0.000 0.205 644 Q C 2.814 178.765 176.000 -0.081 0.000 0.990 644 Q CA 1.820 57.585 55.803 -0.063 0.000 0.845 644 Q CB -0.483 28.202 28.738 -0.088 0.000 0.913 644 Q HN 0.427 nan 8.270 nan 0.000 0.420 645 V N -0.118 119.739 119.914 -0.095 0.000 2.453 645 V HA -0.255 2.861 4.120 -1.674 0.000 0.252 645 V C 1.922 177.907 176.094 -0.181 0.000 1.068 645 V CA 1.712 63.928 62.300 -0.140 0.000 1.070 645 V CB -0.650 31.087 31.823 -0.143 0.000 0.664 645 V HN 0.352 nan 8.190 nan 0.000 0.461 646 I N -0.009 120.494 120.570 -0.112 0.000 2.394 646 I HA -0.123 3.043 4.170 -1.674 0.000 0.251 646 I C 2.275 178.399 176.117 0.010 0.000 1.136 646 I CA 1.637 62.905 61.300 -0.054 0.000 1.425 646 I CB -0.150 37.845 38.000 -0.008 0.000 1.079 646 I HN 0.323 nan 8.210 nan 0.000 0.425 647 V N 0.163 120.056 119.914 -0.034 0.000 3.174 647 V HA 0.087 3.203 4.120 -1.674 0.000 0.254 647 V C 2.426 178.493 176.094 -0.045 0.000 1.120 647 V CA 1.130 63.417 62.300 -0.021 0.000 1.114 647 V CB -0.345 31.431 31.823 -0.078 0.000 0.756 647 V HN 0.354 nan 8.190 nan 0.000 0.467 648 A N 1.142 123.906 122.820 -0.093 0.000 1.874 648 A HA -0.112 3.204 4.320 -1.674 0.000 0.214 648 A C 2.289 179.788 177.584 -0.141 0.000 1.189 648 A CA 1.640 53.617 52.037 -0.100 0.000 0.615 648 A CB -0.365 18.570 19.000 -0.109 0.000 0.830 648 A HN 0.425 nan 8.150 nan 0.000 0.443 649 R N -1.629 118.709 120.500 -0.271 0.000 2.276 649 R HA 0.163 3.499 4.340 -1.674 0.000 0.203 649 R C 0.607 176.633 176.300 -0.457 0.000 1.017 649 R CA 1.225 57.052 56.100 -0.455 0.000 1.010 649 R CB -0.411 29.427 30.300 -0.770 0.000 0.900 649 R HN 0.543 nan 8.270 nan 0.000 0.469 650 F N -1.496 118.423 119.950 -0.052 0.000 2.831 650 F HA 0.482 3.997 4.527 -1.688 0.000 0.334 650 F C 0.884 176.669 175.800 -0.024 0.000 1.071 650 F CA -0.535 57.441 58.000 -0.041 0.000 1.172 650 F CB 0.514 39.484 39.000 -0.051 0.000 1.054 650 F HN 0.044 nan 8.300 nan 0.000 0.572 651 A N 0.261 123.171 122.820 0.149 0.000 2.257 651 A HA 0.374 3.690 4.320 -1.674 0.000 0.290 651 A C -0.785 176.843 177.584 0.072 0.000 1.201 651 A CA -0.155 51.934 52.037 0.088 0.000 0.863 651 A CB 0.299 19.320 19.000 0.035 0.000 1.256 651 A HN 0.165 nan 8.150 nan 0.000 0.506 652 D N -2.274 118.160 120.400 0.058 0.000 2.487 652 D HA 0.251 3.886 4.640 -1.674 0.000 0.262 652 D C 0.318 176.641 176.300 0.039 0.000 1.130 652 D CA -0.380 53.651 54.000 0.052 0.000 1.038 652 D CB 0.900 41.734 40.800 0.057 0.000 1.142 652 D HN 0.324 nan 8.370 nan 0.000 0.575 653 D N -0.641 119.781 120.400 0.036 0.000 2.219 653 D HA -0.093 3.543 4.640 -1.674 0.000 0.205 653 D C 1.176 177.498 176.300 0.036 0.000 0.970 653 D CA 0.905 54.924 54.000 0.031 0.000 0.851 653 D CB 0.326 41.143 40.800 0.028 0.000 0.943 653 D HN 0.324 nan 8.370 nan 0.000 0.488 654 Q N -0.328 119.497 119.800 0.041 0.000 2.425 654 Q HA 0.255 3.591 4.340 -1.674 0.000 0.204 654 Q C 0.548 176.580 176.000 0.053 0.000 0.933 654 Q CA -0.029 55.802 55.803 0.046 0.000 0.939 654 Q CB 0.478 29.244 28.738 0.046 0.000 1.044 654 Q HN 0.158 nan 8.270 nan 0.000 0.513 655 L N -0.055 121.197 121.223 0.048 0.000 3.624 655 L HA -0.184 3.151 4.340 -1.674 0.000 0.425 655 L C -1.312 175.587 176.870 0.049 0.000 1.247 655 L CA -0.391 54.477 54.840 0.046 0.000 0.861 655 L CB -1.158 40.941 42.059 0.066 0.000 1.965 655 L HN 0.104 nan 8.230 nan 0.000 0.751 656 I N 0.528 121.129 120.570 0.052 0.000 2.433 656 I HA 0.480 3.645 4.170 -1.674 0.000 0.292 656 I C 0.052 176.210 176.117 0.069 0.000 1.001 656 I CA -0.236 61.098 61.300 0.057 0.000 1.119 656 I CB 1.614 39.655 38.000 0.069 0.000 1.289 656 I HN -0.068 nan 8.210 nan 0.000 0.438 657 I N 5.942 126.552 120.570 0.068 0.000 2.330 657 I HA 0.259 3.425 4.170 -1.674 0.000 0.289 657 I C 0.070 176.301 176.117 0.190 0.000 1.001 657 I CA -0.625 60.730 61.300 0.092 0.000 1.193 657 I CB 0.608 38.636 38.000 0.046 0.000 1.345 657 I HN 0.567 nan 8.210 nan 0.000 0.461 658 D N 4.638 125.136 120.400 0.163 0.000 2.369 658 D HA -0.089 3.547 4.640 -1.674 0.000 0.241 658 D C 1.061 177.444 176.300 0.138 0.000 1.271 658 D CA 0.007 54.121 54.000 0.190 0.000 0.942 658 D CB 0.422 41.293 40.800 0.119 0.000 1.129 658 D HN 0.386 nan 8.370 nan 0.000 0.476 659 F N -0.057 119.713 119.950 -0.300 0.000 2.113 659 F HA -0.130 3.395 4.527 -1.670 0.000 0.297 659 F C 1.952 177.682 175.800 -0.118 0.000 1.103 659 F CA 1.907 59.603 58.000 -0.507 0.000 1.248 659 F CB -0.285 38.290 39.000 -0.708 0.000 0.999 659 F HN 0.425 nan 8.300 nan 0.000 0.475 660 D N 0.285 120.798 120.400 0.189 0.000 2.108 660 D HA -0.269 3.367 4.640 -1.674 0.000 0.190 660 D C 1.779 177.923 176.300 -0.261 0.000 0.995 660 D CA 2.292 56.301 54.000 0.016 0.000 0.834 660 D CB -0.696 40.193 40.800 0.148 0.000 0.967 660 D HN 0.389 nan 8.370 nan 0.000 0.446 661 N N -0.865 117.720 118.700 -0.191 0.000 2.104 661 N HA -0.136 3.600 4.740 -1.674 0.000 0.190 661 N C 1.777 176.969 175.510 -0.529 0.000 1.024 661 N CA 1.103 53.923 53.050 -0.382 0.000 0.853 661 N CB -0.449 37.894 38.487 -0.239 0.000 1.008 661 N HN 0.294 nan 8.380 nan 0.000 0.424 662 F N 1.352 121.011 119.950 -0.484 0.000 2.063 662 F HA -0.308 3.217 4.527 -1.669 0.000 0.298 662 F C 2.172 177.580 175.800 -0.655 0.000 1.109 662 F CA 1.502 59.203 58.000 -0.499 0.000 1.212 662 F CB -0.221 38.539 39.000 -0.401 0.000 0.973 662 F HN -0.006 nan 8.300 nan 0.000 0.480 663 V N -0.474 118.867 119.914 -0.954 0.000 2.591 663 V HA -0.109 3.007 4.120 -1.674 0.000 0.249 663 V C 2.341 177.983 176.094 -0.752 0.000 1.053 663 V CA 1.680 63.330 62.300 -1.084 0.000 1.068 663 V CB -0.982 30.285 31.823 -0.927 0.000 0.689 663 V HN 0.467 nan 8.190 nan 0.000 0.462 664 R N -0.435 119.681 120.500 -0.641 0.000 2.117 664 R HA -0.196 3.140 4.340 -1.674 0.000 0.243 664 R C 2.340 178.364 176.300 -0.460 0.000 1.143 664 R CA 2.188 58.006 56.100 -0.470 0.000 0.968 664 R CB -0.909 29.160 30.300 -0.384 0.000 0.863 664 R HN 0.709 nan 8.270 nan 0.000 0.444 665 C N 0.223 119.094 119.300 -0.715 0.000 2.548 665 C HA -0.003 3.453 4.460 -1.674 0.000 0.284 665 C C 2.533 177.273 174.990 -0.416 0.000 1.252 665 C CA 0.804 59.511 59.018 -0.518 0.000 1.725 665 C CB -1.108 26.240 27.740 -0.655 0.000 2.098 665 C HN 0.638 nan 8.230 nan 0.000 0.471 666 L N 0.826 121.686 121.223 -0.606 0.000 2.034 666 L HA -0.212 3.123 4.340 -1.674 0.000 0.217 666 L C 2.587 179.280 176.870 -0.296 0.000 1.077 666 L CA 1.933 56.428 54.840 -0.575 0.000 0.769 666 L CB -1.095 40.295 42.059 -1.114 0.000 0.890 666 L HN 0.345 nan 8.230 nan 0.000 0.435 667 V N -0.402 119.339 119.914 -0.287 0.000 2.216 667 V HA -0.317 2.798 4.120 -1.674 0.000 0.243 667 V C 2.667 178.742 176.094 -0.032 0.000 1.044 667 V CA 2.071 64.339 62.300 -0.054 0.000 0.995 667 V CB -0.605 31.174 31.823 -0.073 0.000 0.633 667 V HN 0.419 nan 8.190 nan 0.000 0.446 668 R N -0.696 119.755 120.500 -0.082 0.000 2.140 668 R HA -0.256 3.080 4.340 -1.674 0.000 0.250 668 R C 2.241 178.518 176.300 -0.037 0.000 1.150 668 R CA 2.129 58.207 56.100 -0.037 0.000 0.966 668 R CB -0.498 29.792 30.300 -0.015 0.000 0.869 668 R HN 0.393 nan 8.270 nan 0.000 0.445 669 L N 1.391 122.543 121.223 -0.117 0.000 1.989 669 L HA -0.194 3.142 4.340 -1.674 0.000 0.211 669 L C 2.105 179.064 176.870 0.149 0.000 1.071 669 L CA 1.989 56.730 54.840 -0.165 0.000 0.749 669 L CB -0.765 40.971 42.059 -0.538 0.000 0.890 669 L HN 0.252 nan 8.230 nan 0.000 0.431 670 E N -1.433 118.919 120.200 0.252 0.000 2.058 670 E HA -0.237 3.109 4.350 -1.674 0.000 0.194 670 E C 1.824 178.614 176.600 0.316 0.000 0.997 670 E CA 1.999 58.678 56.400 0.464 0.000 0.801 670 E CB -0.016 29.932 29.700 0.414 0.000 0.746 670 E HN 0.644 nan 8.360 nan 0.000 0.450 671 T N 1.983 116.648 114.554 0.184 0.000 2.595 671 T HA -0.185 3.160 4.350 -1.674 0.000 0.264 671 T C 1.877 176.666 174.700 0.148 0.000 1.058 671 T CA 1.018 63.202 62.100 0.141 0.000 1.166 671 T CB -0.382 68.539 68.868 0.088 0.000 0.863 671 T HN 0.083 nan 8.240 nan 0.000 0.415 672 L N -0.084 121.190 121.223 0.084 0.000 2.051 672 L HA -0.093 3.243 4.340 -1.674 0.000 0.214 672 L C 2.344 179.254 176.870 0.066 0.000 1.076 672 L CA 1.713 56.570 54.840 0.028 0.000 0.758 672 L CB -1.580 40.428 42.059 -0.084 0.000 0.890 672 L HN 0.166 nan 8.230 nan 0.000 0.433 673 F N 0.888 120.890 119.950 0.087 0.000 2.000 673 F HA -0.287 3.234 4.527 -1.677 0.000 0.296 673 F C 2.669 178.557 175.800 0.146 0.000 1.159 673 F CA 2.169 60.237 58.000 0.113 0.000 1.183 673 F CB -0.863 38.215 39.000 0.131 0.000 0.959 673 F HN 0.117 nan 8.300 nan 0.000 0.490 674 K N 0.937 121.555 120.400 0.363 0.000 2.066 674 K HA -0.293 3.023 4.320 -1.674 0.000 0.221 674 K C 2.087 178.797 176.600 0.183 0.000 1.056 674 K CA 2.733 59.154 56.287 0.223 0.000 0.950 674 K CB -1.074 31.527 32.500 0.167 0.000 0.726 674 K HN 0.396 nan 8.250 nan 0.000 0.456 675 I N 0.200 120.864 120.570 0.157 0.000 2.194 675 I HA -0.276 2.890 4.170 -1.674 0.000 0.246 675 I C 2.534 178.657 176.117 0.010 0.000 1.093 675 I CA 1.577 62.928 61.300 0.084 0.000 1.355 675 I CB -0.372 37.662 38.000 0.055 0.000 1.046 675 I HN 0.212 nan 8.210 nan 0.000 0.413 676 F N 1.906 121.834 119.950 -0.037 0.000 2.084 676 F HA -0.218 3.305 4.527 -1.672 0.000 0.296 676 F C 2.488 178.293 175.800 0.009 0.000 1.111 676 F CA 1.854 59.822 58.000 -0.054 0.000 1.224 676 F CB -0.389 38.583 39.000 -0.047 0.000 0.991 676 F HN -0.174 nan 8.300 nan 0.000 0.471 677 K N 0.533 121.203 120.400 0.451 0.000 1.987 677 K HA -0.235 3.080 4.320 -1.674 0.000 0.216 677 K C 2.066 178.762 176.600 0.160 0.000 1.051 677 K CA 2.080 58.557 56.287 0.318 0.000 0.942 677 K CB -0.805 31.832 32.500 0.227 0.000 0.722 677 K HN 0.198 nan 8.250 nan 0.000 0.444 678 Q N 0.437 120.303 119.800 0.110 0.000 2.029 678 Q HA -0.201 3.135 4.340 -1.674 0.000 0.209 678 Q C 2.341 178.349 176.000 0.013 0.000 0.999 678 Q CA 1.952 57.791 55.803 0.060 0.000 0.857 678 Q CB -0.779 27.999 28.738 0.065 0.000 0.926 678 Q HN 0.423 nan 8.270 nan 0.000 0.415 679 L N 0.594 121.786 121.223 -0.053 0.000 2.353 679 L HA -0.161 3.175 4.340 -1.674 0.000 0.220 679 L C 0.652 177.437 176.870 -0.141 0.000 1.133 679 L CA 0.706 55.470 54.840 -0.127 0.000 0.798 679 L CB -0.020 41.879 42.059 -0.267 0.000 0.922 679 L HN 0.134 nan 8.230 nan 0.000 0.445 680 D N -1.004 119.340 120.400 -0.093 0.000 3.088 680 D HA 0.140 3.776 4.640 -1.674 0.000 0.310 680 D C -1.604 174.718 176.300 0.038 0.000 1.351 680 D CA -2.008 51.977 54.000 -0.024 0.000 0.921 680 D CB 0.433 41.288 40.800 0.092 0.000 1.045 680 D HN -0.011 nan 8.370 nan 0.000 0.504 681 P HA -0.132 nan 4.420 nan 0.000 0.223 681 P C 0.696 178.013 177.300 0.029 0.000 1.140 681 P CA 1.002 64.118 63.100 0.027 0.000 0.783 681 P CB 0.337 32.047 31.700 0.016 0.000 0.759 682 E N -2.637 117.581 120.200 0.030 0.000 2.465 682 E HA 0.054 3.400 4.350 -1.674 0.000 0.209 682 E C 0.145 176.767 176.600 0.038 0.000 0.951 682 E CA 0.014 56.430 56.400 0.028 0.000 0.997 682 E CB -0.301 29.411 29.700 0.019 0.000 1.025 682 E HN 0.075 nan 8.360 nan 0.000 0.500 683 N N 1.213 119.948 118.700 0.058 0.000 2.858 683 N HA -0.130 3.606 4.740 -1.674 0.000 0.247 683 N C 0.601 176.148 175.510 0.062 0.000 1.092 683 N CA 0.982 54.076 53.050 0.072 0.000 0.675 683 N CB -1.573 36.944 38.487 0.050 0.000 0.959 683 N HN 0.269 nan 8.380 nan 0.000 0.558 684 T N -3.526 111.069 114.554 0.069 0.000 3.009 684 T HA 0.377 3.722 4.350 -1.674 0.000 0.258 684 T C 1.595 176.336 174.700 0.069 0.000 1.063 684 T CA 1.149 63.280 62.100 0.052 0.000 1.139 684 T CB 0.181 69.071 68.868 0.037 0.000 0.890 684 T HN 1.315 nan 8.240 nan 0.000 0.471 685 G N 1.192 110.067 108.800 0.125 0.000 2.148 685 G HA2 -0.054 2.902 3.960 -1.674 0.000 0.203 685 G HA3 -0.054 2.902 3.960 -1.674 0.000 0.203 685 G C 0.097 175.124 174.900 0.211 0.000 0.993 685 G CA -0.076 45.108 45.100 0.141 0.000 0.661 685 G HN 1.181 nan 8.290 nan 0.000 0.518 686 T N -1.258 113.425 114.554 0.216 0.000 2.982 686 T HA 0.593 3.939 4.350 -1.674 0.000 0.321 686 T C -0.267 174.418 174.700 -0.025 0.000 1.229 686 T CA -0.177 62.012 62.100 0.148 0.000 1.044 686 T CB 2.023 70.920 68.868 0.048 0.000 1.184 686 T HN 1.387 nan 8.240 nan 0.000 0.477 687 I N -0.651 119.809 120.570 -0.183 0.000 2.778 687 I HA 0.401 3.566 4.170 -1.674 0.000 0.285 687 I C 0.338 176.320 176.117 -0.224 0.000 1.236 687 I CA -0.911 60.172 61.300 -0.361 0.000 1.089 687 I CB 0.572 38.077 38.000 -0.826 0.000 1.601 687 I HN 0.575 nan 8.210 nan 0.000 0.573 688 E N 5.098 125.220 120.200 -0.130 0.000 2.696 688 E HA 0.115 3.461 4.350 -1.674 0.000 0.270 688 E C -0.881 175.683 176.600 -0.061 0.000 0.958 688 E CA 0.365 56.713 56.400 -0.087 0.000 0.964 688 E CB 0.809 30.475 29.700 -0.057 0.000 0.948 688 E HN 0.686 nan 8.360 nan 0.000 0.472 689 L N 0.925 122.127 121.223 -0.035 0.000 2.582 689 L HA 0.305 3.641 4.340 -1.674 0.000 0.257 689 L C -0.464 176.432 176.870 0.042 0.000 0.974 689 L CA -1.203 53.663 54.840 0.043 0.000 0.851 689 L CB 1.875 44.014 42.059 0.133 0.000 1.424 689 L HN 0.548 nan 8.230 nan 0.000 0.412 690 D N 0.170 120.620 120.400 0.084 0.000 2.478 690 D HA 0.419 4.055 4.640 -1.674 0.000 0.263 690 D C 0.842 177.223 176.300 0.136 0.000 1.153 690 D CA -0.797 53.245 54.000 0.070 0.000 1.038 690 D CB 0.976 41.810 40.800 0.056 0.000 1.120 690 D HN 0.394 nan 8.370 nan 0.000 0.564 691 L N 0.228 121.522 121.223 0.118 0.000 1.933 691 L HA -0.179 3.157 4.340 -1.674 0.000 0.220 691 L C 1.888 178.880 176.870 0.203 0.000 1.078 691 L CA 1.729 56.678 54.840 0.183 0.000 0.773 691 L CB -0.739 41.390 42.059 0.116 0.000 0.890 691 L HN 0.581 nan 8.230 nan 0.000 0.434 692 I N 0.272 120.908 120.570 0.110 0.000 2.151 692 I HA -0.436 2.729 4.170 -1.674 0.000 0.236 692 I C 2.687 178.842 176.117 0.062 0.000 1.000 692 I CA 2.243 63.580 61.300 0.061 0.000 1.285 692 I CB -1.941 36.079 38.000 0.032 0.000 0.994 692 I HN 0.599 nan 8.210 nan 0.000 0.396 693 S N 0.414 116.170 115.700 0.094 0.000 2.380 693 S HA -0.277 3.189 4.470 -1.674 0.000 0.229 693 S C 1.838 176.588 174.600 0.250 0.000 1.043 693 S CA 1.722 59.992 58.200 0.116 0.000 1.038 693 S CB -1.216 62.096 63.200 0.186 0.000 0.872 693 S HN 0.711 nan 8.310 nan 0.000 0.456 694 W N 2.820 124.201 121.300 0.135 0.000 2.354 694 W HA -0.122 3.532 4.660 -1.676 0.000 0.315 694 W C 1.677 178.267 176.519 0.119 0.000 1.206 694 W CA 0.998 58.446 57.345 0.172 0.000 1.290 694 W CB -0.423 29.085 29.460 0.079 0.000 1.152 694 W HN 0.291 nan 8.180 nan 0.000 0.489 695 L N 0.884 122.024 121.223 -0.137 0.000 2.189 695 L HA -0.309 3.026 4.340 -1.674 0.000 0.214 695 L C 2.607 179.299 176.870 -0.297 0.000 1.097 695 L CA 1.561 56.213 54.840 -0.313 0.000 0.764 695 L CB -1.197 40.797 42.059 -0.107 0.000 0.900 695 L HN 0.089 nan 8.230 nan 0.000 0.436 696 C N -0.639 118.513 119.300 -0.247 0.000 2.541 696 C HA -0.108 3.348 4.460 -1.674 0.000 0.282 696 C C 2.588 177.358 174.990 -0.367 0.000 1.263 696 C CA 0.140 58.962 59.018 -0.326 0.000 1.709 696 C CB -0.867 26.622 27.740 -0.419 0.000 2.097 696 C HN 0.379 nan 8.230 nan 0.000 0.480 697 F N 2.215 122.056 119.950 -0.183 0.000 2.043 697 F HA -0.225 3.297 4.527 -1.674 0.000 0.297 697 F C 2.700 178.298 175.800 -0.338 0.000 1.121 697 F CA 2.040 59.925 58.000 -0.191 0.000 1.199 697 F CB -1.502 37.430 39.000 -0.113 0.000 0.968 697 F HN 0.138 nan 8.300 nan 0.000 0.478 698 S N -0.112 115.307 115.700 -0.468 0.000 2.444 698 S HA -0.303 3.163 4.470 -1.674 0.000 0.274 698 S C 1.291 175.678 174.600 -0.355 0.000 1.130 698 S CA 1.511 59.277 58.200 -0.724 0.000 1.243 698 S CB -1.326 61.224 63.200 -1.083 0.000 1.166 698 S HN 0.249 nan 8.310 nan 0.000 0.439 699 V N 4.547 124.295 119.914 -0.277 0.000 2.357 699 V HA 0.297 3.413 4.120 -1.674 0.000 0.239 699 V C 0.121 176.140 176.094 -0.125 0.000 1.168 699 V CA 0.044 62.241 62.300 -0.172 0.000 1.262 699 V CB -1.793 29.944 31.823 -0.144 0.000 1.314 699 V HN 0.445 nan 8.190 nan 0.000 0.486 700 L N 0.000 121.159 121.223 -0.107 0.000 2.949 700 L HA 0.000 3.336 4.340 -1.674 0.000 0.249 700 L CA 0.000 54.802 54.840 -0.064 0.000 0.813 700 L CB 0.000 42.030 42.059 -0.048 0.000 0.961 700 L HN 0.000 nan 8.230 nan 0.000 0.502