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 2c7c_1_G DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK 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 0.000 177.581 177.584 -0.006 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 A N 2.556 125.375 122.820 -0.002 0.000 2.351 3 A HA 0.737 5.059 4.320 0.003 0.000 0.257 3 A C 0.098 177.684 177.584 0.003 0.000 1.087 3 A CA -0.194 51.846 52.037 0.004 0.000 0.798 3 A CB 0.385 19.392 19.000 0.010 0.000 1.033 3 A HN 0.628 nan 8.150 nan 0.000 0.488 4 K N 0.985 121.392 120.400 0.012 0.000 2.208 4 K HA 0.407 4.729 4.320 0.003 0.000 0.247 4 K C -1.129 175.502 176.600 0.052 0.000 0.953 4 K CA -0.645 55.651 56.287 0.015 0.000 0.837 4 K CB 1.840 34.347 32.500 0.012 0.000 1.131 4 K HN 0.789 nan 8.250 nan 0.000 0.431 5 D N 0.913 121.362 120.400 0.082 0.000 2.229 5 D HA 0.471 5.112 4.640 0.003 0.000 0.249 5 D C -1.149 175.312 176.300 0.267 0.000 1.027 5 D CA -0.546 53.570 54.000 0.194 0.000 0.923 5 D CB 1.389 42.373 40.800 0.307 0.000 1.174 5 D HN 0.235 nan 8.370 nan 0.000 0.443 6 V N -0.832 119.249 119.914 0.277 0.000 2.777 6 V HA 0.701 4.823 4.120 0.003 0.000 0.306 6 V C -1.090 175.065 176.094 0.102 0.000 1.112 6 V CA -0.807 61.606 62.300 0.187 0.000 0.917 6 V CB 1.685 33.550 31.823 0.071 0.000 1.018 6 V HN 0.505 nan 8.190 nan 0.000 0.426 7 K N 3.894 124.297 120.400 0.005 0.000 2.527 7 K HA 0.712 5.034 4.320 0.003 0.000 0.260 7 K C -1.844 174.692 176.600 -0.107 0.000 0.937 7 K CA -0.449 55.781 56.287 -0.095 0.000 0.826 7 K CB 2.877 35.063 32.500 -0.523 0.000 1.359 7 K HN 0.597 nan 8.250 nan 0.000 0.434 8 F N 0.353 120.272 119.950 -0.052 0.000 2.483 8 F HA 0.468 4.996 4.527 0.002 0.000 0.329 8 F C 1.429 177.216 175.800 -0.021 0.000 1.064 8 F CA 0.709 58.699 58.000 -0.016 0.000 0.986 8 F CB 1.618 40.609 39.000 -0.015 0.000 1.218 8 F HN 0.855 nan 8.300 nan 0.000 0.484 9 G N 2.082 110.997 108.800 0.192 0.000 2.629 9 G HA2 -0.518 3.444 3.960 0.003 0.000 0.313 9 G HA3 -0.518 3.444 3.960 0.003 0.000 0.313 9 G C 1.113 176.055 174.900 0.070 0.000 1.217 9 G CA 1.144 46.320 45.100 0.127 0.000 0.994 9 G HN 0.830 nan 8.290 nan 0.000 0.549 10 N N 0.728 119.460 118.700 0.052 0.000 2.018 10 N HA -0.124 4.618 4.740 0.003 0.000 0.196 10 N C 1.808 177.330 175.510 0.019 0.000 1.043 10 N CA 2.686 55.753 53.050 0.029 0.000 0.856 10 N CB -0.253 38.245 38.487 0.018 0.000 1.042 10 N HN 0.548 nan 8.380 nan 0.000 0.423 11 D N -0.163 120.241 120.400 0.007 0.000 2.144 11 D HA -0.062 4.580 4.640 0.003 0.000 0.200 11 D C 1.882 178.163 176.300 -0.033 0.000 0.978 11 D CA 1.104 55.090 54.000 -0.023 0.000 0.833 11 D CB -0.619 40.150 40.800 -0.051 0.000 0.961 11 D HN 0.468 nan 8.370 nan 0.000 0.470 12 A N 1.616 124.424 122.820 -0.020 0.000 1.851 12 A HA -0.219 4.103 4.320 0.003 0.000 0.216 12 A C 2.227 179.846 177.584 0.059 0.000 1.195 12 A CA 1.453 53.505 52.037 0.025 0.000 0.622 12 A CB -0.571 18.450 19.000 0.036 0.000 0.831 12 A HN 0.101 nan 8.150 nan 0.000 0.444 13 R N -0.847 119.679 120.500 0.044 0.000 2.096 13 R HA -0.082 4.260 4.340 0.003 0.000 0.235 13 R C 2.063 178.385 176.300 0.037 0.000 1.127 13 R CA 1.394 57.519 56.100 0.041 0.000 0.968 13 R CB -0.579 29.741 30.300 0.034 0.000 0.861 13 R HN 0.402 nan 8.270 nan 0.000 0.440 14 V N 1.483 121.415 119.914 0.029 0.000 2.295 14 V HA -0.262 3.860 4.120 0.003 0.000 0.246 14 V C 2.343 178.459 176.094 0.036 0.000 1.049 14 V CA 1.642 63.958 62.300 0.026 0.000 1.024 14 V CB -0.357 31.474 31.823 0.015 0.000 0.648 14 V HN 0.237 nan 8.190 nan 0.000 0.447 15 K N -0.611 119.818 120.400 0.048 0.000 2.026 15 K HA -0.160 4.162 4.320 0.003 0.000 0.208 15 K C 2.151 178.802 176.600 0.085 0.000 1.048 15 K CA 1.844 58.180 56.287 0.081 0.000 0.929 15 K CB -0.505 32.075 32.500 0.133 0.000 0.713 15 K HN 0.438 nan 8.250 nan 0.000 0.439 16 M N 0.684 120.334 119.600 0.085 0.000 2.080 16 M HA -0.222 4.260 4.480 0.003 0.000 0.260 16 M C 2.138 178.463 176.300 0.042 0.000 1.068 16 M CA 1.359 56.697 55.300 0.062 0.000 1.109 16 M CB -0.144 32.491 32.600 0.058 0.000 1.342 16 M HN 0.069 nan 8.290 nan 0.000 0.405 17 L N 0.626 121.871 121.223 0.038 0.000 1.989 17 L HA -0.218 4.124 4.340 0.003 0.000 0.211 17 L C 2.339 179.225 176.870 0.028 0.000 1.071 17 L CA 1.954 56.812 54.840 0.029 0.000 0.749 17 L CB -0.715 41.359 42.059 0.026 0.000 0.890 17 L HN 0.265 nan 8.230 nan 0.000 0.431 18 R N -0.614 119.904 120.500 0.031 0.000 2.091 18 R HA -0.138 4.204 4.340 0.003 0.000 0.238 18 R C 2.197 178.514 176.300 0.028 0.000 1.136 18 R CA 1.224 57.341 56.100 0.029 0.000 0.959 18 R CB -1.071 29.248 30.300 0.032 0.000 0.856 18 R HN 0.609 nan 8.270 nan 0.000 0.437 19 G N 0.580 109.399 108.800 0.032 0.000 2.440 19 G HA2 -0.225 3.737 3.960 0.003 0.000 0.218 19 G HA3 -0.225 3.737 3.960 0.003 0.000 0.218 19 G C 1.487 176.398 174.900 0.017 0.000 1.154 19 G CA 0.771 45.885 45.100 0.024 0.000 0.767 19 G HN 0.138 nan 8.290 nan 0.000 0.552 20 V N 1.182 121.108 119.914 0.019 0.000 2.343 20 V HA -0.220 3.901 4.120 0.003 0.000 0.247 20 V C 2.582 178.686 176.094 0.016 0.000 1.051 20 V CA 2.204 64.514 62.300 0.016 0.000 1.036 20 V CB -0.759 31.075 31.823 0.018 0.000 0.654 20 V HN 0.384 nan 8.190 nan 0.000 0.451 21 N N -0.115 118.596 118.700 0.017 0.000 2.043 21 N HA -0.174 4.568 4.740 0.003 0.000 0.193 21 N C 1.734 177.253 175.510 0.014 0.000 1.037 21 N CA 1.660 54.720 53.050 0.016 0.000 0.851 21 N CB -0.384 38.113 38.487 0.017 0.000 1.027 21 N HN 0.249 nan 8.380 nan 0.000 0.422 22 V N 1.279 121.202 119.914 0.015 0.000 2.324 22 V HA -0.209 3.912 4.120 0.003 0.000 0.250 22 V C 2.153 178.254 176.094 0.011 0.000 1.060 22 V CA 1.284 63.592 62.300 0.013 0.000 1.042 22 V CB -0.540 31.291 31.823 0.014 0.000 0.650 22 V HN 0.401 nan 8.190 nan 0.000 0.450 23 L N 0.291 121.520 121.223 0.010 0.000 2.007 23 L HA -0.040 4.301 4.340 0.003 0.000 0.205 23 L C 2.458 179.334 176.870 0.011 0.000 1.073 23 L CA 2.729 57.575 54.840 0.009 0.000 0.744 23 L CB -1.257 40.806 42.059 0.008 0.000 0.898 23 L HN 0.330 nan 8.230 nan 0.000 0.435 24 A N -0.791 122.037 122.820 0.013 0.000 2.016 24 A HA -0.142 4.180 4.320 0.003 0.000 0.217 24 A C 1.753 179.345 177.584 0.014 0.000 1.162 24 A CA 1.247 53.292 52.037 0.014 0.000 0.662 24 A CB -0.399 18.611 19.000 0.016 0.000 0.812 24 A HN 0.520 nan 8.150 nan 0.000 0.450 25 D N 0.180 120.588 120.400 0.013 0.000 2.234 25 D HA 0.067 4.708 4.640 0.003 0.000 0.205 25 D C 2.112 178.418 176.300 0.010 0.000 0.962 25 D CA 1.158 55.165 54.000 0.012 0.000 0.855 25 D CB -0.190 40.617 40.800 0.012 0.000 0.951 25 D HN 0.423 nan 8.370 nan 0.000 0.500 26 A N 0.675 123.501 122.820 0.010 0.000 1.840 26 A HA -0.101 4.221 4.320 0.003 0.000 0.214 26 A C 2.457 180.047 177.584 0.009 0.000 1.198 26 A CA 0.941 52.983 52.037 0.008 0.000 0.608 26 A CB -0.842 18.162 19.000 0.007 0.000 0.839 26 A HN 0.104 nan 8.150 nan 0.000 0.443 27 V N 0.416 120.336 119.914 0.011 0.000 2.453 27 V HA -0.313 3.808 4.120 0.003 0.000 0.252 27 V C 2.433 178.535 176.094 0.013 0.000 1.068 27 V CA 2.398 64.706 62.300 0.012 0.000 1.070 27 V CB -0.768 31.064 31.823 0.014 0.000 0.664 27 V HN 0.547 nan 8.190 nan 0.000 0.461 28 K N 0.102 120.510 120.400 0.013 0.000 2.160 28 K HA -0.158 4.164 4.320 0.003 0.000 0.206 28 K C 1.769 178.376 176.600 0.011 0.000 1.047 28 K CA 1.694 57.988 56.287 0.013 0.000 0.930 28 K CB -0.324 32.184 32.500 0.013 0.000 0.720 28 K HN 0.608 nan 8.250 nan 0.000 0.450 29 V N -0.832 119.087 119.914 0.009 0.000 3.590 29 V HA -0.028 4.093 4.120 0.003 0.000 0.272 29 V C 1.246 177.344 176.094 0.006 0.000 1.233 29 V CA 1.577 63.881 62.300 0.007 0.000 1.182 29 V CB -0.821 31.005 31.823 0.006 0.000 0.901 29 V HN 0.338 nan 8.190 nan 0.000 0.485 30 T N -3.195 111.363 114.554 0.007 0.000 3.003 30 T HA 0.362 4.713 4.350 0.003 0.000 0.261 30 T C 0.300 175.004 174.700 0.006 0.000 1.003 30 T CA -0.144 61.960 62.100 0.006 0.000 0.917 30 T CB 0.211 69.084 68.868 0.007 0.000 1.084 30 T HN 0.331 nan 8.240 nan 0.000 0.522 31 L N 2.856 124.083 121.223 0.007 0.000 2.331 31 L HA 0.622 4.964 4.340 0.003 0.000 0.278 31 L C 0.869 177.741 176.870 0.003 0.000 1.106 31 L CA 1.579 56.423 54.840 0.007 0.000 0.824 31 L CB -0.072 41.993 42.059 0.010 0.000 1.142 31 L HN 0.702 nan 8.230 nan 0.000 0.443 32 G N 4.777 113.576 108.800 -0.001 0.000 2.725 32 G HA2 -0.186 3.775 3.960 0.003 0.000 0.220 32 G HA3 -0.186 3.775 3.960 0.003 0.000 0.220 32 G C -2.233 172.660 174.900 -0.013 0.000 1.357 32 G CA -0.183 44.912 45.100 -0.008 0.000 0.866 32 G HN 0.575 nan 8.290 nan 0.000 0.548 33 P HA 0.085 nan 4.420 nan 0.000 0.226 33 P C 1.263 178.550 177.300 -0.021 0.000 1.161 33 P CA 1.278 64.362 63.100 -0.026 0.000 0.804 33 P CB 0.114 31.789 31.700 -0.042 0.000 0.829 34 K N -0.082 120.307 120.400 -0.018 0.000 2.400 34 K HA 0.145 4.466 4.320 0.003 0.000 0.194 34 K C 1.340 177.937 176.600 -0.004 0.000 1.033 34 K CA -0.003 56.278 56.287 -0.010 0.000 1.021 34 K CB -0.179 32.317 32.500 -0.006 0.000 0.808 34 K HN 0.099 nan 8.250 nan 0.000 0.505 35 G N 1.542 110.340 108.800 -0.003 0.000 2.432 35 G HA2 0.026 3.987 3.960 0.003 0.000 0.239 35 G HA3 0.026 3.987 3.960 0.003 0.000 0.239 35 G C -0.000 174.899 174.900 -0.001 0.000 1.291 35 G CA -0.287 44.813 45.100 0.000 0.000 0.863 35 G HN 0.165 nan 8.290 nan 0.000 0.560 36 R N 0.785 121.286 120.500 0.001 0.000 2.515 36 R HA 0.381 4.723 4.340 0.003 0.000 0.209 36 R C -0.274 176.026 176.300 0.000 0.000 1.255 36 R CA -0.794 55.306 56.100 0.000 0.000 1.006 36 R CB 0.427 30.727 30.300 0.001 0.000 1.839 36 R HN 0.487 nan 8.270 nan 0.000 0.514 37 N N -0.759 117.941 118.700 -0.000 0.000 2.455 37 N HA 0.365 5.106 4.740 0.003 0.000 0.278 37 N C -1.394 174.115 175.510 -0.000 0.000 1.291 37 N CA -0.536 52.514 53.050 0.000 0.000 0.780 37 N CB 2.344 40.830 38.487 -0.002 0.000 1.520 37 N HN 0.081 nan 8.380 nan 0.000 0.486 38 V N 0.852 120.766 119.914 -0.000 0.000 2.630 38 V HA 0.526 4.648 4.120 0.003 0.000 0.305 38 V C -0.124 175.967 176.094 -0.005 0.000 1.046 38 V CA -0.738 61.561 62.300 -0.002 0.000 0.934 38 V CB 1.993 33.816 31.823 0.001 0.000 1.003 38 V HN 0.322 nan 8.190 nan 0.000 0.451 39 V N 5.470 125.378 119.914 -0.009 0.000 2.448 39 V HA 0.495 4.617 4.120 0.003 0.000 0.295 39 V C -0.423 175.660 176.094 -0.019 0.000 1.025 39 V CA -0.441 61.850 62.300 -0.015 0.000 0.859 39 V CB 1.612 33.424 31.823 -0.018 0.000 0.988 39 V HN 0.631 nan 8.190 nan 0.000 0.431 40 L N 3.810 125.018 121.223 -0.026 0.000 2.353 40 L HA 0.485 4.827 4.340 0.003 0.000 0.270 40 L C -0.258 176.576 176.870 -0.059 0.000 1.003 40 L CA -0.545 54.277 54.840 -0.030 0.000 0.862 40 L CB 1.504 43.553 42.059 -0.016 0.000 1.221 40 L HN 0.535 nan 8.230 nan 0.000 0.430 41 D N 3.788 124.147 120.400 -0.067 0.000 2.400 41 D HA 0.184 4.826 4.640 0.003 0.000 0.238 41 D C -0.515 175.676 176.300 -0.181 0.000 1.157 41 D CA 0.485 54.421 54.000 -0.106 0.000 0.889 41 D CB 0.827 41.580 40.800 -0.078 0.000 1.199 41 D HN 0.360 nan 8.370 nan 0.000 0.436 42 K N 1.168 121.388 120.400 -0.300 0.000 2.656 42 K HA 0.146 4.468 4.320 0.003 0.000 0.253 42 K C 0.555 176.805 176.600 -0.582 0.000 1.002 42 K CA -0.422 55.475 56.287 -0.651 0.000 0.880 42 K CB 1.508 33.425 32.500 -0.973 0.000 1.232 42 K HN 0.340 nan 8.250 nan 0.000 0.456 43 S N 1.511 116.968 115.700 -0.406 0.000 2.423 43 S HA -0.141 4.330 4.470 0.003 0.000 0.231 43 S C 1.371 175.916 174.600 -0.091 0.000 1.014 43 S CA 0.632 58.738 58.200 -0.157 0.000 0.965 43 S CB -0.662 62.537 63.200 -0.002 0.000 0.785 43 S HN 0.635 nan 8.310 nan 0.000 0.495 44 F N 0.980 120.925 119.950 -0.008 0.000 2.695 44 F HA 0.717 5.245 4.527 0.002 0.000 0.301 44 F C 1.014 176.809 175.800 -0.008 0.000 1.182 44 F CA -0.540 57.455 58.000 -0.009 0.000 1.412 44 F CB -0.622 38.372 39.000 -0.011 0.000 1.056 44 F HN 0.352 nan 8.300 nan 0.000 0.522 45 G N -0.091 108.595 108.800 -0.189 0.000 2.667 45 G HA2 0.566 4.528 3.960 0.003 0.000 0.081 45 G HA3 0.566 4.528 3.960 0.003 0.000 0.081 45 G C -1.471 173.337 174.900 -0.153 0.000 1.105 45 G CA -0.014 45.004 45.100 -0.137 0.000 1.326 45 G HN 0.665 nan 8.290 nan 0.000 0.603 46 A N -0.501 122.218 122.820 -0.168 0.000 2.609 46 A HA 0.877 5.199 4.320 0.003 0.000 0.291 46 A C -3.204 174.299 177.584 -0.135 0.000 1.096 46 A CA -0.969 50.991 52.037 -0.128 0.000 0.684 46 A CB 0.964 19.919 19.000 -0.075 0.000 1.282 46 A HN 0.412 nan 8.150 nan 0.000 0.412 47 P HA 0.282 nan 4.420 nan 0.000 0.265 47 P C -0.473 176.789 177.300 -0.064 0.000 1.193 47 P CA 0.539 63.587 63.100 -0.087 0.000 0.765 47 P CB 0.475 32.138 31.700 -0.062 0.000 0.823 48 T N 4.290 118.810 114.554 -0.056 0.000 2.749 48 T HA 0.426 4.778 4.350 0.003 0.000 0.287 48 T C 0.456 175.143 174.700 -0.021 0.000 0.970 48 T CA -0.316 61.765 62.100 -0.033 0.000 0.980 48 T CB 0.046 68.900 68.868 -0.024 0.000 0.924 48 T HN 0.105 nan 8.240 nan 0.000 0.456 49 I N 2.966 123.527 120.570 -0.015 0.000 2.529 49 I HA 0.461 4.633 4.170 0.003 0.000 0.284 49 I C 0.876 176.991 176.117 -0.003 0.000 1.082 49 I CA 0.201 61.495 61.300 -0.010 0.000 1.406 49 I CB 1.008 39.003 38.000 -0.009 0.000 1.405 49 I HN 0.507 nan 8.210 nan 0.000 0.548 50 T N 4.047 118.601 114.554 -0.001 0.000 2.889 50 T HA 0.356 4.708 4.350 0.003 0.000 0.315 50 T C 0.135 174.838 174.700 0.005 0.000 1.291 50 T CA -0.659 61.443 62.100 0.005 0.000 1.028 50 T CB 1.362 70.234 68.868 0.008 0.000 1.235 50 T HN 0.721 nan 8.240 nan 0.000 0.491 51 K N 1.083 121.488 120.400 0.008 0.000 2.360 51 K HA 0.196 4.518 4.320 0.003 0.000 0.196 51 K C 0.218 176.825 176.600 0.012 0.000 1.049 51 K CA -0.162 56.130 56.287 0.009 0.000 1.049 51 K CB 0.388 32.893 32.500 0.008 0.000 0.881 51 K HN 0.636 nan 8.250 nan 0.000 0.542 52 D N -1.076 119.333 120.400 0.015 0.000 2.175 52 D HA 0.065 4.707 4.640 0.003 0.000 0.248 52 D C 0.658 176.969 176.300 0.017 0.000 1.047 52 D CA -0.183 53.829 54.000 0.019 0.000 0.883 52 D CB 1.894 42.708 40.800 0.024 0.000 1.180 52 D HN 0.196 nan 8.370 nan 0.000 0.438 53 G N 2.278 111.089 108.800 0.019 0.000 2.421 53 G HA2 -0.162 3.799 3.960 0.003 0.000 0.217 53 G HA3 -0.162 3.799 3.960 0.003 0.000 0.217 53 G C 1.386 176.296 174.900 0.016 0.000 1.143 53 G CA 0.362 45.473 45.100 0.018 0.000 0.784 53 G HN 0.438 nan 8.290 nan 0.000 0.541 54 V N 0.736 120.659 119.914 0.015 0.000 2.591 54 V HA -0.092 4.030 4.120 0.003 0.000 0.249 54 V C 2.910 179.009 176.094 0.009 0.000 1.053 54 V CA 2.407 64.712 62.300 0.009 0.000 1.068 54 V CB -0.211 31.614 31.823 0.003 0.000 0.689 54 V HN 0.344 nan 8.190 nan 0.000 0.462 55 S N -0.081 115.626 115.700 0.013 0.000 2.370 55 S HA -0.182 4.289 4.470 0.003 0.000 0.226 55 S C 1.843 176.452 174.600 0.015 0.000 1.033 55 S CA 1.777 59.987 58.200 0.015 0.000 1.011 55 S CB -0.259 62.951 63.200 0.016 0.000 0.852 55 S HN 0.497 nan 8.310 nan 0.000 0.457 56 V N 1.859 121.780 119.914 0.012 0.000 2.283 56 V HA -0.097 4.025 4.120 0.003 0.000 0.243 56 V C 2.697 178.796 176.094 0.009 0.000 1.039 56 V CA 1.589 63.895 62.300 0.010 0.000 1.016 56 V CB -1.289 30.540 31.823 0.009 0.000 0.650 56 V HN 0.530 nan 8.190 nan 0.000 0.449 57 A N 0.019 122.844 122.820 0.008 0.000 1.902 57 A HA -0.236 4.086 4.320 0.003 0.000 0.217 57 A C 2.345 179.930 177.584 0.002 0.000 1.181 57 A CA 1.849 53.889 52.037 0.005 0.000 0.623 57 A CB -0.562 18.440 19.000 0.004 0.000 0.818 57 A HN 0.494 nan 8.150 nan 0.000 0.443 58 R N -0.438 120.063 120.500 0.002 0.000 2.159 58 R HA -0.106 4.236 4.340 0.003 0.000 0.237 58 R C 1.687 177.992 176.300 0.008 0.000 1.131 58 R CA 1.219 57.319 56.100 0.000 0.000 0.982 58 R CB -0.177 30.123 30.300 0.001 0.000 0.868 58 R HN 0.509 nan 8.270 nan 0.000 0.453 59 E N 0.272 120.481 120.200 0.015 0.000 2.274 59 E HA -0.057 4.294 4.350 0.003 0.000 0.194 59 E C 0.505 177.113 176.600 0.014 0.000 0.996 59 E CA 0.553 56.966 56.400 0.022 0.000 0.840 59 E CB 0.162 29.875 29.700 0.023 0.000 0.772 59 E HN 0.171 nan 8.360 nan 0.000 0.491 60 I N 1.470 122.044 120.570 0.006 0.000 2.428 60 I HA 0.243 4.414 4.170 0.003 0.000 0.289 60 I C 0.338 176.453 176.117 -0.003 0.000 1.019 60 I CA -0.207 61.095 61.300 0.003 0.000 1.351 60 I CB 0.882 38.884 38.000 0.002 0.000 1.412 60 I HN -0.059 nan 8.210 nan 0.000 0.513 61 E N 5.937 126.135 120.200 -0.004 0.000 2.381 61 E HA 0.470 4.821 4.350 0.003 0.000 0.286 61 E C -2.224 174.370 176.600 -0.009 0.000 0.960 61 E CA -0.605 55.788 56.400 -0.011 0.000 0.793 61 E CB 2.008 31.701 29.700 -0.011 0.000 1.225 61 E HN 0.278 nan 8.360 nan 0.000 0.420 62 L N 3.269 124.483 121.223 -0.015 0.000 2.354 62 L HA 0.335 4.677 4.340 0.003 0.000 0.264 62 L C 1.151 178.012 176.870 -0.015 0.000 1.008 62 L CA -0.251 54.583 54.840 -0.009 0.000 0.819 62 L CB 1.467 43.524 42.059 -0.003 0.000 1.339 62 L HN 0.911 nan 8.230 nan 0.000 0.420 63 E N 0.484 120.681 120.200 -0.004 0.000 2.152 63 E HA -0.139 4.212 4.350 0.003 0.000 0.192 63 E C 0.209 176.812 176.600 0.005 0.000 0.983 63 E CA 0.463 56.861 56.400 -0.003 0.000 0.818 63 E CB 0.408 30.112 29.700 0.006 0.000 0.758 63 E HN 0.571 nan 8.360 nan 0.000 0.467 64 D N 1.075 121.488 120.400 0.022 0.000 2.441 64 D HA -0.044 4.597 4.640 0.003 0.000 0.243 64 D C 0.560 176.879 176.300 0.031 0.000 1.257 64 D CA 0.004 54.039 54.000 0.058 0.000 1.027 64 D CB 0.491 41.333 40.800 0.071 0.000 1.084 64 D HN 0.014 nan 8.370 nan 0.000 0.514 65 K N 2.430 122.805 120.400 -0.042 0.000 2.147 65 K HA -0.141 4.181 4.320 0.003 0.000 0.205 65 K C 1.597 177.985 176.600 -0.354 0.000 1.049 65 K CA 0.793 56.936 56.287 -0.241 0.000 0.936 65 K CB -0.252 32.012 32.500 -0.393 0.000 0.722 65 K HN 0.455 nan 8.250 nan 0.000 0.446 66 F N 1.573 121.519 119.950 -0.008 0.000 2.502 66 F HA -0.021 4.507 4.527 0.001 0.000 0.298 66 F C 2.018 177.814 175.800 -0.006 0.000 1.111 66 F CA 0.723 58.717 58.000 -0.009 0.000 1.445 66 F CB -0.073 38.923 39.000 -0.006 0.000 1.081 66 F HN 0.119 nan 8.300 nan 0.000 0.558 67 E N -0.279 119.985 120.200 0.107 0.000 2.140 67 E HA -0.121 4.230 4.350 0.003 0.000 0.191 67 E C 1.644 178.250 176.600 0.009 0.000 0.973 67 E CA 0.619 57.053 56.400 0.057 0.000 0.829 67 E CB -0.310 29.424 29.700 0.055 0.000 0.781 67 E HN 0.296 nan 8.360 nan 0.000 0.466 68 N N 1.503 120.190 118.700 -0.022 0.000 2.091 68 N HA -0.201 4.540 4.740 0.003 0.000 0.193 68 N C 1.833 177.311 175.510 -0.053 0.000 1.021 68 N CA 1.581 54.604 53.050 -0.045 0.000 0.862 68 N CB -0.056 38.387 38.487 -0.074 0.000 1.018 68 N HN 0.062 nan 8.380 nan 0.000 0.429 69 M N -0.826 118.729 119.600 -0.076 0.000 2.108 69 M HA -0.095 4.386 4.480 0.003 0.000 0.261 69 M C 2.171 178.453 176.300 -0.029 0.000 1.066 69 M CA 1.761 57.020 55.300 -0.067 0.000 1.107 69 M CB -0.605 31.944 32.600 -0.085 0.000 1.356 69 M HN 0.374 nan 8.290 nan 0.000 0.406 70 G N -0.256 108.539 108.800 -0.008 0.000 2.414 70 G HA2 -0.112 3.850 3.960 0.003 0.000 0.215 70 G HA3 -0.112 3.850 3.960 0.003 0.000 0.215 70 G C 1.618 176.517 174.900 -0.002 0.000 1.188 70 G CA 0.905 46.007 45.100 0.003 0.000 0.783 70 G HN 0.538 nan 8.290 nan 0.000 0.537 71 A N -0.030 122.788 122.820 -0.004 0.000 1.908 71 A HA -0.095 4.227 4.320 0.003 0.000 0.218 71 A C 2.389 179.965 177.584 -0.013 0.000 1.181 71 A CA 1.967 54.001 52.037 -0.006 0.000 0.627 71 A CB -0.380 18.617 19.000 -0.005 0.000 0.818 71 A HN 0.335 nan 8.150 nan 0.000 0.445 72 Q N -0.922 118.865 119.800 -0.022 0.000 2.119 72 Q HA -0.082 4.260 4.340 0.003 0.000 0.201 72 Q C 2.208 178.191 176.000 -0.027 0.000 0.972 72 Q CA 1.452 57.238 55.803 -0.029 0.000 0.847 72 Q CB -0.351 28.363 28.738 -0.040 0.000 0.903 72 Q HN 0.772 nan 8.270 nan 0.000 0.433 73 M N 0.230 119.816 119.600 -0.024 0.000 2.099 73 M HA -0.136 4.346 4.480 0.003 0.000 0.262 73 M C 2.208 178.499 176.300 -0.015 0.000 1.067 73 M CA 1.346 56.634 55.300 -0.020 0.000 1.124 73 M CB -0.311 32.281 32.600 -0.014 0.000 1.353 73 M HN 0.121 nan 8.290 nan 0.000 0.410 74 V N -1.985 117.924 119.914 -0.008 0.000 3.305 74 V HA -0.136 3.985 4.120 0.003 0.000 0.269 74 V C 1.879 177.968 176.094 -0.008 0.000 1.157 74 V CA 1.431 63.730 62.300 -0.001 0.000 1.157 74 V CB -1.113 30.715 31.823 0.008 0.000 0.772 74 V HN 0.436 nan 8.190 nan 0.000 0.498 75 K N 0.754 121.144 120.400 -0.016 0.000 2.209 75 K HA -0.237 4.084 4.320 0.003 0.000 0.204 75 K C 2.181 178.759 176.600 -0.037 0.000 1.048 75 K CA 1.844 58.118 56.287 -0.022 0.000 0.940 75 K CB -0.062 32.423 32.500 -0.024 0.000 0.729 75 K HN 0.759 nan 8.250 nan 0.000 0.451 76 E N 0.027 120.198 120.200 -0.049 0.000 2.028 76 E HA -0.167 4.185 4.350 0.003 0.000 0.191 76 E C 1.876 178.415 176.600 -0.102 0.000 0.988 76 E CA 1.190 57.540 56.400 -0.083 0.000 0.799 76 E CB -0.073 29.572 29.700 -0.091 0.000 0.755 76 E HN 0.162 nan 8.360 nan 0.000 0.447 77 V N 0.747 120.628 119.914 -0.055 0.000 2.392 77 V HA -0.250 3.871 4.120 0.003 0.000 0.249 77 V C 2.154 178.265 176.094 0.029 0.000 1.059 77 V CA 2.345 64.644 62.300 -0.002 0.000 1.051 77 V CB -0.505 31.357 31.823 0.066 0.000 0.658 77 V HN 0.455 nan 8.190 nan 0.000 0.455 78 A N -1.242 121.585 122.820 0.011 0.000 1.969 78 A HA -0.149 4.172 4.320 0.003 0.000 0.218 78 A C 2.510 180.095 177.584 0.002 0.000 1.169 78 A CA 2.180 54.228 52.037 0.018 0.000 0.635 78 A CB -0.724 18.282 19.000 0.010 0.000 0.810 78 A HN 0.594 nan 8.150 nan 0.000 0.445 79 S N -1.323 114.356 115.700 -0.034 0.000 2.404 79 S HA -0.009 4.462 4.470 0.003 0.000 0.223 79 S C 2.039 176.593 174.600 -0.077 0.000 1.040 79 S CA 0.716 58.886 58.200 -0.049 0.000 0.957 79 S CB -0.180 62.985 63.200 -0.059 0.000 0.826 79 S HN 0.380 nan 8.310 nan 0.000 0.491 80 K N 1.633 121.935 120.400 -0.164 0.000 2.280 80 K HA 0.099 4.420 4.320 0.003 0.000 0.202 80 K C 2.041 178.602 176.600 -0.066 0.000 1.047 80 K CA 0.945 57.058 56.287 -0.290 0.000 0.942 80 K CB -0.646 31.401 32.500 -0.754 0.000 0.739 80 K HN 0.411 nan 8.250 nan 0.000 0.457 81 A N 2.051 124.942 122.820 0.118 0.000 1.851 81 A HA -0.233 4.088 4.320 0.003 0.000 0.216 81 A C 2.094 179.732 177.584 0.090 0.000 1.195 81 A CA 1.936 54.105 52.037 0.220 0.000 0.622 81 A CB -0.754 18.352 19.000 0.176 0.000 0.831 81 A HN 0.472 nan 8.150 nan 0.000 0.444 82 N N -0.152 118.565 118.700 0.028 0.000 2.058 82 N HA -0.188 4.553 4.740 0.003 0.000 0.191 82 N C 0.937 176.414 175.510 -0.055 0.000 1.037 82 N CA 1.772 54.810 53.050 -0.021 0.000 0.848 82 N CB -0.426 38.046 38.487 -0.025 0.000 1.021 82 N HN 0.434 nan 8.380 nan 0.000 0.422 83 D N -0.119 120.254 120.400 -0.046 0.000 2.350 83 D HA -0.031 4.611 4.640 0.003 0.000 0.216 83 D C 1.122 177.404 176.300 -0.029 0.000 0.968 83 D CA 0.578 54.547 54.000 -0.053 0.000 0.894 83 D CB 0.235 40.998 40.800 -0.061 0.000 0.909 83 D HN 0.474 nan 8.370 nan 0.000 0.520 84 A N -0.222 122.604 122.820 0.010 0.000 2.070 84 A HA 0.532 4.853 4.320 0.003 0.000 0.202 84 A C 1.602 179.208 177.584 0.037 0.000 1.277 84 A CA 0.743 52.811 52.037 0.052 0.000 0.872 84 A CB 0.811 19.902 19.000 0.153 0.000 0.933 84 A HN 0.133 nan 8.150 nan 0.000 0.475 85 A N -2.794 120.039 122.820 0.022 0.000 2.736 85 A HA 0.479 4.800 4.320 0.003 0.000 0.222 85 A C 1.628 179.224 177.584 0.021 0.000 1.267 85 A CA 1.125 53.180 52.037 0.031 0.000 1.026 85 A CB -0.495 18.540 19.000 0.058 0.000 1.281 85 A HN 1.939 nan 8.150 nan 0.000 0.577 86 G N 0.308 109.080 108.800 -0.048 0.000 3.548 86 G HA2 -0.356 3.605 3.960 0.003 0.000 0.224 86 G HA3 -0.356 3.605 3.960 0.003 0.000 0.224 86 G C 0.421 175.347 174.900 0.043 0.000 1.351 86 G CA 0.711 45.790 45.100 -0.034 0.000 0.905 86 G HN 0.668 nan 8.290 nan 0.000 0.561 87 D N 1.029 121.470 120.400 0.067 0.000 2.447 87 D HA 0.466 5.108 4.640 0.003 0.000 0.265 87 D C 1.667 177.997 176.300 0.049 0.000 1.250 87 D CA 1.278 55.312 54.000 0.057 0.000 1.046 87 D CB 0.389 41.222 40.800 0.056 0.000 1.095 87 D HN 1.557 nan 8.370 nan 0.000 0.555 88 G N -0.637 108.187 108.800 0.039 0.000 2.184 88 G HA2 -0.358 3.604 3.960 0.003 0.000 0.264 88 G HA3 -0.358 3.604 3.960 0.003 0.000 0.264 88 G C 1.151 176.080 174.900 0.049 0.000 0.975 88 G CA 1.746 46.868 45.100 0.036 0.000 0.642 88 G HN 0.654 nan 8.290 nan 0.000 0.536 89 T N -2.026 112.558 114.554 0.050 0.000 2.652 89 T HA -0.162 4.189 4.350 0.003 0.000 0.267 89 T C 2.201 176.925 174.700 0.041 0.000 1.039 89 T CA 2.676 64.805 62.100 0.049 0.000 1.153 89 T CB -0.915 67.974 68.868 0.036 0.000 0.863 89 T HN 0.381 nan 8.240 nan 0.000 0.428 90 T N 1.844 116.417 114.554 0.032 0.000 2.708 90 T HA -0.084 4.267 4.350 0.003 0.000 0.266 90 T C 2.317 177.033 174.700 0.027 0.000 1.037 90 T CA 1.848 63.964 62.100 0.026 0.000 1.146 90 T CB -1.021 67.859 68.868 0.021 0.000 0.865 90 T HN 0.565 nan 8.240 nan 0.000 0.435 91 T N 2.247 116.817 114.554 0.027 0.000 2.684 91 T HA -0.104 4.248 4.350 0.003 0.000 0.267 91 T C 2.399 177.115 174.700 0.028 0.000 1.036 91 T CA 1.295 63.408 62.100 0.022 0.000 1.148 91 T CB -0.635 68.243 68.868 0.016 0.000 0.863 91 T HN 0.441 nan 8.240 nan 0.000 0.436 92 A N 1.409 124.254 122.820 0.042 0.000 1.902 92 A HA -0.131 4.191 4.320 0.003 0.000 0.217 92 A C 2.582 180.199 177.584 0.055 0.000 1.181 92 A CA 2.102 54.175 52.037 0.061 0.000 0.623 92 A CB -1.256 17.813 19.000 0.114 0.000 0.818 92 A HN 0.500 nan 8.150 nan 0.000 0.443 93 T N -0.505 114.077 114.554 0.046 0.000 2.777 93 T HA -0.091 4.260 4.350 0.003 0.000 0.266 93 T C 1.862 176.579 174.700 0.029 0.000 1.040 93 T CA 1.397 63.518 62.100 0.036 0.000 1.141 93 T CB -0.404 68.481 68.868 0.029 0.000 0.868 93 T HN 0.135 nan 8.240 nan 0.000 0.444 94 V N 1.488 121.418 119.914 0.026 0.000 2.295 94 V HA -0.131 3.991 4.120 0.003 0.000 0.246 94 V C 2.485 178.593 176.094 0.022 0.000 1.049 94 V CA 1.527 63.841 62.300 0.022 0.000 1.024 94 V CB -0.621 31.214 31.823 0.020 0.000 0.648 94 V HN 0.427 nan 8.190 nan 0.000 0.447 95 L N -0.226 121.011 121.223 0.024 0.000 2.046 95 L HA -0.158 4.184 4.340 0.003 0.000 0.208 95 L C 2.721 179.607 176.870 0.026 0.000 1.077 95 L CA 1.556 56.409 54.840 0.022 0.000 0.747 95 L CB -0.805 41.266 42.059 0.020 0.000 0.896 95 L HN 0.361 nan 8.230 nan 0.000 0.432 96 A N 0.640 123.479 122.820 0.032 0.000 1.865 96 A HA -0.302 4.020 4.320 0.003 0.000 0.217 96 A C 2.252 179.851 177.584 0.026 0.000 1.191 96 A CA 2.040 54.096 52.037 0.033 0.000 0.623 96 A CB -0.765 18.258 19.000 0.038 0.000 0.826 96 A HN 0.633 nan 8.150 nan 0.000 0.444 97 Q N -0.659 119.155 119.800 0.023 0.000 2.170 97 Q HA 0.014 4.355 4.340 0.003 0.000 0.203 97 Q C 1.961 177.973 176.000 0.019 0.000 0.976 97 Q CA 1.805 57.620 55.803 0.020 0.000 0.858 97 Q CB -0.523 28.227 28.738 0.019 0.000 0.907 97 Q HN 0.502 nan 8.270 nan 0.000 0.433 98 A N 1.383 124.214 122.820 0.019 0.000 1.872 98 A HA -0.040 4.281 4.320 0.003 0.000 0.214 98 A C 2.142 179.736 177.584 0.017 0.000 1.187 98 A CA 1.182 53.229 52.037 0.017 0.000 0.614 98 A CB -0.534 18.476 19.000 0.017 0.000 0.826 98 A HN 0.415 nan 8.150 nan 0.000 0.442 99 I N -0.324 120.257 120.570 0.019 0.000 2.315 99 I HA -0.232 3.939 4.170 0.003 0.000 0.248 99 I C 2.247 178.375 176.117 0.019 0.000 1.117 99 I CA 1.123 62.435 61.300 0.019 0.000 1.404 99 I CB -0.354 37.659 38.000 0.021 0.000 1.071 99 I HN 0.283 nan 8.210 nan 0.000 0.419 100 I N 0.423 121.005 120.570 0.020 0.000 2.179 100 I HA -0.273 3.898 4.170 0.003 0.000 0.242 100 I C 2.582 178.710 176.117 0.019 0.000 1.088 100 I CA 1.629 62.941 61.300 0.020 0.000 1.357 100 I CB -0.564 37.448 38.000 0.020 0.000 1.051 100 I HN 0.220 nan 8.210 nan 0.000 0.409 101 T N 0.093 114.657 114.554 0.018 0.000 2.674 101 T HA -0.144 4.207 4.350 0.003 0.000 0.265 101 T C 1.818 176.527 174.700 0.016 0.000 1.039 101 T CA 1.211 63.321 62.100 0.017 0.000 1.150 101 T CB -0.177 68.701 68.868 0.016 0.000 0.864 101 T HN 0.280 nan 8.240 nan 0.000 0.427 102 E N 0.703 120.912 120.200 0.015 0.000 2.152 102 E HA -0.001 4.351 4.350 0.003 0.000 0.192 102 E C 2.528 179.137 176.600 0.014 0.000 0.983 102 E CA 0.931 57.339 56.400 0.014 0.000 0.818 102 E CB -0.682 29.026 29.700 0.013 0.000 0.758 102 E HN 0.568 nan 8.360 nan 0.000 0.467 103 G N 1.289 110.098 108.800 0.016 0.000 2.404 103 G HA2 -0.186 3.775 3.960 0.003 0.000 0.215 103 G HA3 -0.186 3.775 3.960 0.003 0.000 0.215 103 G C 1.743 176.653 174.900 0.017 0.000 1.174 103 G CA 0.297 45.407 45.100 0.016 0.000 0.780 103 G HN 0.155 nan 8.290 nan 0.000 0.537 104 L N 0.169 121.403 121.223 0.018 0.000 2.083 104 L HA -0.051 4.291 4.340 0.003 0.000 0.209 104 L C 2.819 179.699 176.870 0.017 0.000 1.083 104 L CA 1.309 56.160 54.840 0.019 0.000 0.752 104 L CB -0.315 41.756 42.059 0.020 0.000 0.899 104 L HN 0.220 nan 8.230 nan 0.000 0.433 105 K N 0.509 120.918 120.400 0.016 0.000 2.032 105 K HA -0.230 4.091 4.320 0.003 0.000 0.209 105 K C 2.133 178.741 176.600 0.013 0.000 1.048 105 K CA 1.599 57.894 56.287 0.014 0.000 0.927 105 K CB -0.097 32.410 32.500 0.013 0.000 0.712 105 K HN 0.284 nan 8.250 nan 0.000 0.441 106 A N 0.618 123.446 122.820 0.013 0.000 1.933 106 A HA -0.100 4.222 4.320 0.003 0.000 0.218 106 A C 2.229 179.821 177.584 0.014 0.000 1.175 106 A CA 1.531 53.576 52.037 0.013 0.000 0.628 106 A CB -0.570 18.438 19.000 0.013 0.000 0.814 106 A HN 0.186 nan 8.150 nan 0.000 0.444 107 V N -0.213 119.711 119.914 0.016 0.000 2.392 107 V HA -0.268 3.853 4.120 0.003 0.000 0.249 107 V C 2.979 179.085 176.094 0.019 0.000 1.059 107 V CA 2.030 64.341 62.300 0.019 0.000 1.051 107 V CB -1.112 30.724 31.823 0.021 0.000 0.658 107 V HN 0.619 nan 8.190 nan 0.000 0.455 108 A N -0.297 122.534 122.820 0.018 0.000 1.970 108 A HA 0.104 4.426 4.320 0.003 0.000 0.216 108 A C 2.364 179.957 177.584 0.014 0.000 1.170 108 A CA 1.425 53.472 52.037 0.017 0.000 0.645 108 A CB -0.581 18.428 19.000 0.016 0.000 0.816 108 A HN 0.543 nan 8.150 nan 0.000 0.447 109 A N -1.578 121.250 122.820 0.012 0.000 2.070 109 A HA 0.318 4.639 4.320 0.003 0.000 0.220 109 A C 1.848 179.438 177.584 0.010 0.000 1.159 109 A CA 1.784 53.827 52.037 0.010 0.000 0.656 109 A CB -0.726 18.280 19.000 0.010 0.000 0.800 109 A HN 1.824 nan 8.150 nan 0.000 0.453 110 G N -3.263 105.544 108.800 0.012 0.000 2.164 110 G HA2 -0.119 3.842 3.960 0.003 0.000 0.154 110 G HA3 -0.119 3.842 3.960 0.003 0.000 0.154 110 G C -0.021 174.887 174.900 0.012 0.000 1.014 110 G CA 0.045 45.152 45.100 0.012 0.000 0.683 110 G HN 0.238 nan 8.290 nan 0.000 0.500 111 M N 1.235 120.842 119.600 0.012 0.000 2.248 111 M HA 0.314 4.796 4.480 0.003 0.000 0.337 111 M C 0.741 177.049 176.300 0.014 0.000 1.121 111 M CA -0.518 54.789 55.300 0.012 0.000 1.155 111 M CB 0.269 32.876 32.600 0.012 0.000 1.514 111 M HN 0.258 nan 8.290 nan 0.000 0.452 112 N N 3.236 121.944 118.700 0.013 0.000 2.427 112 N HA 0.092 4.834 4.740 0.003 0.000 0.269 112 N C -2.156 173.362 175.510 0.014 0.000 1.235 112 N CA -1.420 51.638 53.050 0.014 0.000 0.934 112 N CB 0.596 39.091 38.487 0.013 0.000 1.121 112 N HN 0.266 nan 8.380 nan 0.000 0.480 113 P HA -0.073 nan 4.420 nan 0.000 0.223 113 P C 1.180 178.488 177.300 0.015 0.000 1.151 113 P CA 0.815 63.925 63.100 0.016 0.000 0.787 113 P CB 0.181 31.891 31.700 0.018 0.000 0.788 114 M N -0.669 118.939 119.600 0.014 0.000 2.288 114 M HA -0.060 4.422 4.480 0.003 0.000 0.266 114 M C 1.197 177.504 176.300 0.012 0.000 1.072 114 M CA 1.610 56.918 55.300 0.013 0.000 1.132 114 M CB -0.816 31.792 32.600 0.013 0.000 1.386 114 M HN -0.249 nan 8.290 nan 0.000 0.432 115 D N -0.392 120.015 120.400 0.012 0.000 2.183 115 D HA -0.049 4.592 4.640 0.003 0.000 0.203 115 D C 2.023 178.330 176.300 0.011 0.000 0.969 115 D CA 0.988 54.995 54.000 0.011 0.000 0.842 115 D CB -0.129 40.677 40.800 0.010 0.000 0.957 115 D HN 0.351 nan 8.370 nan 0.000 0.484 116 L N 0.746 121.976 121.223 0.012 0.000 1.989 116 L HA -0.192 4.150 4.340 0.003 0.000 0.211 116 L C 2.560 179.438 176.870 0.013 0.000 1.071 116 L CA 1.266 56.113 54.840 0.013 0.000 0.749 116 L CB -0.384 41.684 42.059 0.014 0.000 0.890 116 L HN -0.029 nan 8.230 nan 0.000 0.431 117 K N 0.386 120.794 120.400 0.014 0.000 2.026 117 K HA -0.193 4.129 4.320 0.003 0.000 0.208 117 K C 2.294 178.902 176.600 0.014 0.000 1.048 117 K CA 1.438 57.734 56.287 0.015 0.000 0.929 117 K CB -0.003 32.506 32.500 0.015 0.000 0.713 117 K HN 0.165 nan 8.250 nan 0.000 0.439 118 R N -0.621 119.886 120.500 0.012 0.000 2.139 118 R HA -0.127 4.215 4.340 0.003 0.000 0.243 118 R C 2.337 178.643 176.300 0.010 0.000 1.145 118 R CA 1.396 57.503 56.100 0.011 0.000 0.976 118 R CB -0.356 29.950 30.300 0.010 0.000 0.866 118 R HN 0.365 nan 8.270 nan 0.000 0.449 119 G N 0.531 109.338 108.800 0.010 0.000 2.411 119 G HA2 -0.137 3.825 3.960 0.003 0.000 0.213 119 G HA3 -0.137 3.825 3.960 0.003 0.000 0.213 119 G C 1.415 176.321 174.900 0.010 0.000 1.166 119 G CA 0.178 45.284 45.100 0.010 0.000 0.802 119 G HN 0.117 nan 8.290 nan 0.000 0.533 120 I N 1.358 121.935 120.570 0.012 0.000 2.127 120 I HA -0.182 3.990 4.170 0.003 0.000 0.241 120 I C 2.305 178.429 176.117 0.012 0.000 1.075 120 I CA 1.441 62.748 61.300 0.013 0.000 1.334 120 I CB -0.186 37.823 38.000 0.015 0.000 1.040 120 I HN 0.043 nan 8.210 nan 0.000 0.405 121 D N 0.657 121.065 120.400 0.013 0.000 2.149 121 D HA -0.215 4.426 4.640 0.003 0.000 0.198 121 D C 2.058 178.364 176.300 0.010 0.000 0.990 121 D CA 1.180 55.188 54.000 0.013 0.000 0.839 121 D CB -0.262 40.547 40.800 0.015 0.000 0.948 121 D HN 0.289 nan 8.370 nan 0.000 0.460 122 K N 0.455 120.861 120.400 0.009 0.000 2.057 122 K HA -0.071 4.250 4.320 0.003 0.000 0.207 122 K C 1.999 178.602 176.600 0.006 0.000 1.049 122 K CA 1.204 57.495 56.287 0.007 0.000 0.931 122 K CB -0.013 32.491 32.500 0.007 0.000 0.714 122 K HN 0.044 nan 8.250 nan 0.000 0.440 123 A N 0.540 123.363 122.820 0.006 0.000 1.898 123 A HA -0.092 4.229 4.320 0.003 0.000 0.216 123 A C 2.214 179.800 177.584 0.003 0.000 1.181 123 A CA 1.442 53.482 52.037 0.005 0.000 0.620 123 A CB -0.601 18.403 19.000 0.006 0.000 0.819 123 A HN 0.160 nan 8.150 nan 0.000 0.442 124 V N -0.084 119.832 119.914 0.003 0.000 2.255 124 V HA -0.270 3.851 4.120 0.003 0.000 0.247 124 V C 2.773 178.865 176.094 -0.003 0.000 1.051 124 V CA 2.597 64.896 62.300 -0.001 0.000 1.018 124 V CB -1.363 30.462 31.823 0.003 0.000 0.641 124 V HN 0.620 nan 8.190 nan 0.000 0.445 125 T N 0.469 115.024 114.554 0.001 0.000 2.622 125 T HA -0.240 4.112 4.350 0.003 0.000 0.266 125 T C 2.073 176.772 174.700 -0.001 0.000 1.047 125 T CA 1.924 64.024 62.100 0.000 0.000 1.159 125 T CB -0.606 68.264 68.868 0.004 0.000 0.863 125 T HN 0.589 nan 8.240 nan 0.000 0.422 126 A N 1.524 124.344 122.820 0.001 0.000 1.892 126 A HA 0.025 4.346 4.320 0.003 0.000 0.218 126 A C 2.655 180.239 177.584 -0.001 0.000 1.188 126 A CA 2.195 54.233 52.037 0.001 0.000 0.631 126 A CB -1.226 17.776 19.000 0.002 0.000 0.822 126 A HN 0.546 nan 8.150 nan 0.000 0.447 127 A N -0.853 121.965 122.820 -0.003 0.000 1.902 127 A HA 0.022 4.344 4.320 0.003 0.000 0.217 127 A C 2.224 179.802 177.584 -0.010 0.000 1.181 127 A CA 1.725 53.759 52.037 -0.005 0.000 0.623 127 A CB -0.895 18.101 19.000 -0.006 0.000 0.818 127 A HN 0.413 nan 8.150 nan 0.000 0.443 128 V N 0.292 120.198 119.914 -0.014 0.000 2.407 128 V HA -0.194 3.928 4.120 0.003 0.000 0.248 128 V C 2.538 178.624 176.094 -0.012 0.000 1.055 128 V CA 2.065 64.354 62.300 -0.019 0.000 1.049 128 V CB -0.607 31.203 31.823 -0.021 0.000 0.662 128 V HN 0.529 nan 8.190 nan 0.000 0.455 129 E N -0.393 119.803 120.200 -0.007 0.000 2.046 129 E HA -0.142 4.210 4.350 0.003 0.000 0.190 129 E C 2.296 178.894 176.600 -0.003 0.000 0.982 129 E CA 0.756 57.154 56.400 -0.004 0.000 0.800 129 E CB -0.190 29.509 29.700 -0.001 0.000 0.756 129 E HN 0.571 nan 8.360 nan 0.000 0.449 130 E N 0.959 121.158 120.200 -0.002 0.000 2.110 130 E HA -0.115 4.237 4.350 0.003 0.000 0.193 130 E C 2.423 179.022 176.600 -0.001 0.000 0.988 130 E CA 0.419 56.819 56.400 -0.000 0.000 0.804 130 E CB -0.255 29.446 29.700 0.001 0.000 0.745 130 E HN 0.257 nan 8.360 nan 0.000 0.458 131 L N 0.583 121.803 121.223 -0.005 0.000 2.042 131 L HA -0.217 4.124 4.340 0.003 0.000 0.210 131 L C 2.494 179.360 176.870 -0.006 0.000 1.076 131 L CA 1.207 56.043 54.840 -0.007 0.000 0.749 131 L CB -0.291 41.760 42.059 -0.014 0.000 0.893 131 L HN 0.014 nan 8.230 nan 0.000 0.432 132 K N -0.037 120.359 120.400 -0.006 0.000 2.148 132 K HA -0.071 4.250 4.320 0.003 0.000 0.204 132 K C 2.056 178.655 176.600 -0.001 0.000 1.050 132 K CA 1.238 57.523 56.287 -0.004 0.000 0.942 132 K CB -0.348 32.149 32.500 -0.005 0.000 0.724 132 K HN 0.274 nan 8.250 nan 0.000 0.446 133 A N -0.113 122.707 122.820 -0.000 0.000 1.933 133 A HA -0.111 4.211 4.320 0.003 0.000 0.218 133 A C 1.777 179.363 177.584 0.003 0.000 1.175 133 A CA 1.309 53.347 52.037 0.002 0.000 0.628 133 A CB -0.404 18.598 19.000 0.002 0.000 0.814 133 A HN 0.206 nan 8.150 nan 0.000 0.444 134 L N -0.442 120.783 121.223 0.003 0.000 2.418 134 L HA 0.120 4.462 4.340 0.003 0.000 0.218 134 L C 1.688 178.560 176.870 0.003 0.000 1.125 134 L CA 0.920 55.763 54.840 0.004 0.000 0.835 134 L CB -0.398 41.665 42.059 0.005 0.000 0.953 134 L HN 0.249 nan 8.230 nan 0.000 0.454 135 S N 0.918 116.618 115.700 0.001 0.000 4.027 135 S HA 0.107 4.578 4.470 0.003 0.000 0.188 135 S C 0.354 174.955 174.600 0.001 0.000 1.230 135 S CA -0.595 57.605 58.200 -0.000 0.000 0.920 135 S CB -1.110 62.088 63.200 -0.002 0.000 1.577 135 S HN 0.150 nan 8.310 nan 0.000 0.445 136 V N 3.073 122.989 119.914 0.002 0.000 2.584 136 V HA 0.267 4.389 4.120 0.003 0.000 0.303 136 V C -2.298 173.798 176.094 0.002 0.000 1.035 136 V CA -1.923 60.378 62.300 0.003 0.000 1.172 136 V CB -0.563 31.262 31.823 0.004 0.000 0.896 136 V HN 0.375 nan 8.190 nan 0.000 0.486 137 P HA 0.064 nan 4.420 nan 0.000 0.268 137 P C 0.130 177.432 177.300 0.002 0.000 1.208 137 P CA -0.210 62.891 63.100 0.002 0.000 0.777 137 P CB 0.390 32.091 31.700 0.003 0.000 0.875 138 C N 2.944 122.246 119.300 0.002 0.000 3.424 138 C HA 0.098 4.560 4.460 0.003 0.000 0.577 138 C C 1.442 176.433 174.990 0.001 0.000 1.086 138 C CA 0.481 59.500 59.018 0.002 0.000 1.153 138 C CB -2.643 25.099 27.740 0.003 0.000 1.411 138 C HN 0.548 nan 8.230 nan 0.000 0.636 139 S N -0.299 115.401 115.700 0.001 0.000 2.557 139 S HA 0.162 4.633 4.470 0.003 0.000 0.223 139 S C -0.185 174.415 174.600 0.000 0.000 0.969 139 S CA -0.351 57.849 58.200 0.001 0.000 0.927 139 S CB -0.153 63.048 63.200 0.001 0.000 0.806 139 S HN 0.860 nan 8.310 nan 0.000 0.489 140 D N -0.637 119.763 120.400 -0.001 0.000 2.547 140 D HA 0.487 5.129 4.640 0.003 0.000 0.231 140 D C 0.361 176.659 176.300 -0.003 0.000 1.099 140 D CA -0.860 53.139 54.000 -0.002 0.000 0.901 140 D CB 1.156 41.955 40.800 -0.001 0.000 1.478 140 D HN -0.150 nan 8.370 nan 0.000 0.471 141 S N 0.104 115.802 115.700 -0.004 0.000 2.447 141 S HA -0.125 4.346 4.470 0.003 0.000 0.233 141 S C 1.492 176.089 174.600 -0.006 0.000 1.006 141 S CA 0.813 59.010 58.200 -0.005 0.000 0.957 141 S CB -0.229 62.967 63.200 -0.006 0.000 0.773 141 S HN 0.595 nan 8.310 nan 0.000 0.507 142 K N 1.619 122.015 120.400 -0.006 0.000 2.031 142 K HA 0.017 4.338 4.320 0.003 0.000 0.205 142 K C 2.286 178.882 176.600 -0.007 0.000 1.049 142 K CA 1.033 57.316 56.287 -0.007 0.000 0.939 142 K CB -0.343 32.153 32.500 -0.006 0.000 0.717 142 K HN 0.272 nan 8.250 nan 0.000 0.438 143 A N 1.585 124.402 122.820 -0.005 0.000 1.883 143 A HA -0.168 4.153 4.320 0.003 0.000 0.217 143 A C 2.105 179.686 177.584 -0.005 0.000 1.186 143 A CA 1.699 53.734 52.037 -0.004 0.000 0.624 143 A CB -0.707 18.292 19.000 -0.002 0.000 0.822 143 A HN 0.353 nan 8.150 nan 0.000 0.444 144 I N -0.207 120.361 120.570 -0.005 0.000 2.127 144 I HA -0.331 3.840 4.170 0.003 0.000 0.241 144 I C 3.003 179.115 176.117 -0.008 0.000 1.075 144 I CA 1.316 62.613 61.300 -0.005 0.000 1.334 144 I CB -0.420 37.577 38.000 -0.006 0.000 1.040 144 I HN 0.367 nan 8.210 nan 0.000 0.405 145 A N -0.051 122.763 122.820 -0.009 0.000 1.902 145 A HA -0.260 4.062 4.320 0.003 0.000 0.217 145 A C 2.273 179.849 177.584 -0.012 0.000 1.181 145 A CA 1.650 53.681 52.037 -0.011 0.000 0.623 145 A CB -0.635 18.358 19.000 -0.011 0.000 0.818 145 A HN 0.493 nan 8.150 nan 0.000 0.443 146 Q N -0.423 119.370 119.800 -0.011 0.000 2.046 146 Q HA -0.131 4.210 4.340 0.003 0.000 0.200 146 Q C 2.266 178.259 176.000 -0.012 0.000 0.975 146 Q CA 2.105 57.900 55.803 -0.013 0.000 0.836 146 Q CB -0.503 28.227 28.738 -0.013 0.000 0.896 146 Q HN 0.752 nan 8.270 nan 0.000 0.428 147 V N -2.291 117.618 119.914 -0.008 0.000 2.515 147 V HA -0.052 4.070 4.120 0.003 0.000 0.250 147 V C 1.970 178.062 176.094 -0.005 0.000 1.058 147 V CA 1.975 64.272 62.300 -0.005 0.000 1.064 147 V CB -1.367 30.455 31.823 -0.001 0.000 0.675 147 V HN 0.332 nan 8.190 nan 0.000 0.461 148 G N 0.109 108.905 108.800 -0.007 0.000 2.404 148 G HA2 -0.187 3.774 3.960 0.003 0.000 0.215 148 G HA3 -0.187 3.774 3.960 0.003 0.000 0.215 148 G C 1.573 176.466 174.900 -0.011 0.000 1.174 148 G CA 1.429 46.523 45.100 -0.010 0.000 0.780 148 G HN 0.480 nan 8.290 nan 0.000 0.537 149 T N 1.169 115.715 114.554 -0.013 0.000 2.821 149 T HA -0.061 4.291 4.350 0.003 0.000 0.267 149 T C 2.354 177.045 174.700 -0.015 0.000 1.046 149 T CA 0.806 62.897 62.100 -0.015 0.000 1.139 149 T CB -0.105 68.752 68.868 -0.018 0.000 0.871 149 T HN 0.099 nan 8.240 nan 0.000 0.454 150 I N 0.929 121.491 120.570 -0.014 0.000 2.202 150 I HA -0.111 4.060 4.170 0.003 0.000 0.242 150 I C 2.668 178.781 176.117 -0.007 0.000 1.091 150 I CA 1.073 62.365 61.300 -0.013 0.000 1.368 150 I CB -0.777 37.214 38.000 -0.014 0.000 1.058 150 I HN 0.147 nan 8.210 nan 0.000 0.410 151 S N 0.152 115.851 115.700 -0.001 0.000 2.356 151 S HA -0.129 4.342 4.470 0.003 0.000 0.223 151 S C 2.075 176.678 174.600 0.006 0.000 1.032 151 S CA 1.252 59.457 58.200 0.007 0.000 1.005 151 S CB -0.405 62.803 63.200 0.013 0.000 0.867 151 S HN 0.442 nan 8.310 nan 0.000 0.449 152 A N 0.927 123.747 122.820 -0.000 0.000 2.255 152 A HA 0.186 4.507 4.320 0.003 0.000 0.206 152 A C 0.827 178.408 177.584 -0.005 0.000 1.193 152 A CA 0.638 52.674 52.037 -0.002 0.000 0.794 152 A CB -0.866 18.130 19.000 -0.007 0.000 0.794 152 A HN 0.795 nan 8.150 nan 0.000 0.481 153 N N -1.054 117.642 118.700 -0.006 0.000 2.862 153 N HA -0.191 4.551 4.740 0.003 0.000 0.246 153 N C -0.109 175.391 175.510 -0.016 0.000 1.111 153 N CA 0.627 53.672 53.050 -0.010 0.000 0.688 153 N CB -1.250 37.234 38.487 -0.006 0.000 1.018 153 N HN 0.421 nan 8.380 nan 0.000 0.556 154 S N -0.739 114.949 115.700 -0.019 0.000 3.533 154 S HA -0.162 4.309 4.470 0.003 0.000 0.287 154 S C -0.443 174.145 174.600 -0.021 0.000 1.241 154 S CA 0.742 58.928 58.200 -0.025 0.000 0.858 154 S CB -0.873 62.308 63.200 -0.031 0.000 1.033 154 S HN 0.645 nan 8.310 nan 0.000 0.619 155 D N 1.662 122.052 120.400 -0.017 0.000 2.435 155 D HA 0.158 4.799 4.640 0.003 0.000 0.230 155 D C 1.184 177.475 176.300 -0.017 0.000 1.215 155 D CA -0.068 53.922 54.000 -0.016 0.000 0.947 155 D CB 0.381 41.174 40.800 -0.013 0.000 1.048 155 D HN 0.533 nan 8.370 nan 0.000 0.512 156 E N 0.979 121.168 120.200 -0.018 0.000 2.209 156 E HA -0.164 4.187 4.350 0.003 0.000 0.196 156 E C 1.700 178.290 176.600 -0.016 0.000 0.993 156 E CA 1.256 57.645 56.400 -0.018 0.000 0.819 156 E CB 0.216 29.904 29.700 -0.019 0.000 0.745 156 E HN 0.566 nan 8.360 nan 0.000 0.477 157 T N -0.800 113.745 114.554 -0.015 0.000 2.851 157 T HA -0.054 4.298 4.350 0.003 0.000 0.262 157 T C 2.183 176.874 174.700 -0.014 0.000 1.043 157 T CA 0.599 62.690 62.100 -0.014 0.000 1.140 157 T CB -0.496 68.365 68.868 -0.013 0.000 0.872 157 T HN -0.043 nan 8.240 nan 0.000 0.446 158 V N 2.042 121.947 119.914 -0.015 0.000 2.427 158 V HA -0.004 4.118 4.120 0.003 0.000 0.248 158 V C 2.996 179.079 176.094 -0.017 0.000 1.051 158 V CA 1.819 64.109 62.300 -0.017 0.000 1.048 158 V CB -1.421 30.392 31.823 -0.016 0.000 0.666 158 V HN 0.677 nan 8.190 nan 0.000 0.456 159 G N 0.109 108.899 108.800 -0.016 0.000 2.421 159 G HA2 -0.329 3.632 3.960 0.003 0.000 0.216 159 G HA3 -0.329 3.632 3.960 0.003 0.000 0.216 159 G C 1.558 176.449 174.900 -0.015 0.000 1.171 159 G CA 1.203 46.294 45.100 -0.015 0.000 0.775 159 G HN 0.474 nan 8.290 nan 0.000 0.543 160 K N 0.216 120.607 120.400 -0.014 0.000 2.044 160 K HA -0.071 4.251 4.320 0.003 0.000 0.210 160 K C 2.323 178.915 176.600 -0.013 0.000 1.049 160 K CA 1.281 57.560 56.287 -0.013 0.000 0.927 160 K CB -0.827 31.665 32.500 -0.013 0.000 0.713 160 K HN 0.246 nan 8.250 nan 0.000 0.443 161 L N 0.511 121.725 121.223 -0.015 0.000 2.027 161 L HA 0.014 4.356 4.340 0.003 0.000 0.206 161 L C 2.194 179.053 176.870 -0.017 0.000 1.074 161 L CA 1.568 56.399 54.840 -0.015 0.000 0.745 161 L CB -0.317 41.732 42.059 -0.016 0.000 0.898 161 L HN 0.295 nan 8.230 nan 0.000 0.433 162 I N -0.959 119.599 120.570 -0.019 0.000 2.252 162 I HA -0.272 3.900 4.170 0.003 0.000 0.245 162 I C 2.522 178.628 176.117 -0.017 0.000 1.102 162 I CA 1.069 62.356 61.300 -0.022 0.000 1.385 162 I CB -0.575 37.409 38.000 -0.027 0.000 1.064 162 I HN 0.303 nan 8.210 nan 0.000 0.414 163 A N 0.433 123.244 122.820 -0.014 0.000 1.933 163 A HA -0.207 4.114 4.320 0.003 0.000 0.218 163 A C 2.206 179.783 177.584 -0.010 0.000 1.175 163 A CA 1.577 53.607 52.037 -0.011 0.000 0.628 163 A CB -0.501 18.493 19.000 -0.010 0.000 0.814 163 A HN 0.436 nan 8.150 nan 0.000 0.444 164 E N -0.365 119.828 120.200 -0.011 0.000 2.152 164 E HA -0.028 4.324 4.350 0.003 0.000 0.192 164 E C 2.279 178.873 176.600 -0.010 0.000 0.983 164 E CA 0.677 57.071 56.400 -0.010 0.000 0.818 164 E CB -0.229 29.465 29.700 -0.010 0.000 0.758 164 E HN 0.621 nan 8.360 nan 0.000 0.467 165 A N 1.267 124.080 122.820 -0.012 0.000 1.902 165 A HA -0.180 4.142 4.320 0.003 0.000 0.217 165 A C 2.151 179.729 177.584 -0.010 0.000 1.181 165 A CA 1.251 53.280 52.037 -0.012 0.000 0.623 165 A CB -0.410 18.580 19.000 -0.015 0.000 0.818 165 A HN 0.141 nan 8.150 nan 0.000 0.443 166 M N -0.916 118.678 119.600 -0.010 0.000 2.213 166 M HA -0.149 4.332 4.480 0.003 0.000 0.263 166 M C 1.837 178.133 176.300 -0.006 0.000 1.062 166 M CA 1.864 57.159 55.300 -0.008 0.000 1.105 166 M CB -0.509 32.086 32.600 -0.007 0.000 1.385 166 M HN 0.545 nan 8.290 nan 0.000 0.417 167 D N 0.563 120.959 120.400 -0.006 0.000 2.144 167 D HA -0.139 4.503 4.640 0.003 0.000 0.200 167 D C 1.764 178.061 176.300 -0.005 0.000 0.978 167 D CA 1.400 55.397 54.000 -0.006 0.000 0.833 167 D CB 0.267 41.063 40.800 -0.006 0.000 0.961 167 D HN 0.047 nan 8.370 nan 0.000 0.470 168 K N -0.753 119.643 120.400 -0.006 0.000 2.186 168 K HA 0.072 4.393 4.320 0.003 0.000 0.202 168 K C 1.697 178.294 176.600 -0.005 0.000 1.052 168 K CA 1.003 57.286 56.287 -0.006 0.000 0.965 168 K CB 0.421 32.916 32.500 -0.008 0.000 0.746 168 K HN 0.266 nan 8.250 nan 0.000 0.457 169 V N -4.489 115.422 119.914 -0.005 0.000 3.502 169 V HA 0.501 4.623 4.120 0.003 0.000 0.288 169 V C 0.611 176.704 176.094 -0.002 0.000 1.461 169 V CA 0.087 62.385 62.300 -0.003 0.000 1.029 169 V CB -0.133 31.688 31.823 -0.004 0.000 0.843 169 V HN 0.216 nan 8.190 nan 0.000 0.438 170 G N 1.118 109.916 108.800 -0.003 0.000 2.712 170 G HA2 -0.183 3.778 3.960 0.003 0.000 0.683 170 G HA3 -0.183 3.778 3.960 0.003 0.000 0.683 170 G C -0.008 174.891 174.900 -0.001 0.000 1.320 170 G CA 0.100 45.199 45.100 -0.001 0.000 0.847 170 G HN 0.331 nan 8.290 nan 0.000 0.553 171 K N 0.043 120.443 120.400 0.000 0.000 2.025 171 K HA -0.005 4.316 4.320 0.003 0.000 0.207 171 K C 1.970 178.572 176.600 0.004 0.000 1.049 171 K CA 1.869 58.157 56.287 0.002 0.000 0.933 171 K CB -0.025 32.477 32.500 0.003 0.000 0.714 171 K HN 0.581 nan 8.250 nan 0.000 0.438 172 E N 0.337 120.540 120.200 0.005 0.000 2.444 172 E HA 0.073 4.425 4.350 0.003 0.000 0.191 172 E C 0.326 176.929 176.600 0.005 0.000 1.041 172 E CA -0.464 55.940 56.400 0.006 0.000 0.883 172 E CB 0.759 30.463 29.700 0.006 0.000 1.024 172 E HN 0.233 nan 8.360 nan 0.000 0.470 173 G N 0.806 109.608 108.800 0.003 0.000 2.527 173 G HA2 0.213 4.175 3.960 0.003 0.000 0.248 173 G HA3 0.213 4.175 3.960 0.003 0.000 0.248 173 G C 0.001 174.903 174.900 0.003 0.000 1.231 173 G CA -0.488 44.614 45.100 0.003 0.000 0.838 173 G HN -0.015 nan 8.290 nan 0.000 0.570 174 V N 2.064 121.980 119.914 0.003 0.000 2.461 174 V HA 0.277 4.399 4.120 0.003 0.000 0.275 174 V C 0.233 176.325 176.094 -0.002 0.000 1.047 174 V CA 0.043 62.345 62.300 0.004 0.000 0.955 174 V CB 0.831 32.659 31.823 0.008 0.000 0.988 174 V HN 0.483 nan 8.190 nan 0.000 0.471 175 I N 5.352 125.917 120.570 -0.008 0.000 2.448 175 I HA 0.348 4.520 4.170 0.003 0.000 0.281 175 I C 0.385 176.488 176.117 -0.023 0.000 1.027 175 I CA -0.266 61.025 61.300 -0.017 0.000 1.111 175 I CB 1.853 39.839 38.000 -0.023 0.000 1.236 175 I HN 0.661 nan 8.210 nan 0.000 0.452 176 T N 2.571 117.115 114.554 -0.016 0.000 2.927 176 T HA 0.691 5.043 4.350 0.003 0.000 0.281 176 T C -0.428 174.259 174.700 -0.022 0.000 0.998 176 T CA -0.842 61.249 62.100 -0.015 0.000 1.019 176 T CB 2.639 71.507 68.868 0.001 0.000 1.061 176 T HN 0.252 nan 8.240 nan 0.000 0.518 177 V N 0.417 120.319 119.914 -0.021 0.000 2.656 177 V HA 0.636 4.757 4.120 0.003 0.000 0.307 177 V C -1.360 174.732 176.094 -0.003 0.000 1.051 177 V CA -0.579 61.711 62.300 -0.018 0.000 0.893 177 V CB 1.723 33.528 31.823 -0.031 0.000 0.999 177 V HN 1.054 nan 8.190 nan 0.000 0.426 178 E N 3.078 123.277 120.200 -0.002 0.000 2.340 178 E HA 0.366 4.718 4.350 0.003 0.000 0.273 178 E C -1.631 174.971 176.600 0.003 0.000 0.891 178 E CA -0.875 55.527 56.400 0.004 0.000 0.757 178 E CB 2.023 31.726 29.700 0.005 0.000 1.231 178 E HN 0.836 nan 8.360 nan 0.000 0.439 179 D N 1.307 121.710 120.400 0.006 0.000 2.472 179 D HA 0.230 4.871 4.640 0.003 0.000 0.248 179 D C 0.348 176.650 176.300 0.002 0.000 1.174 179 D CA 0.418 54.420 54.000 0.005 0.000 0.883 179 D CB 0.651 41.455 40.800 0.007 0.000 1.149 179 D HN 0.470 nan 8.370 nan 0.000 0.488 180 G N 0.167 108.967 108.800 -0.000 0.000 2.753 180 G HA2 0.467 4.428 3.960 0.003 0.000 0.285 180 G HA3 0.467 4.428 3.960 0.003 0.000 0.285 180 G C 0.698 175.596 174.900 -0.002 0.000 1.344 180 G CA -0.512 44.587 45.100 -0.002 0.000 1.050 180 G HN 0.478 nan 8.290 nan 0.000 0.532 181 T N -3.033 111.519 114.554 -0.003 0.000 3.054 181 T HA 0.383 4.735 4.350 0.003 0.000 0.255 181 T C 1.018 175.715 174.700 -0.004 0.000 1.035 181 T CA 0.457 62.555 62.100 -0.003 0.000 0.941 181 T CB 0.445 69.311 68.868 -0.004 0.000 1.026 181 T HN 0.730 nan 8.240 nan 0.000 0.533 182 G N 0.628 109.426 108.800 -0.005 0.000 2.462 182 G HA2 0.576 4.537 3.960 0.003 0.000 0.319 182 G HA3 0.576 4.537 3.960 0.003 0.000 0.319 182 G C 0.417 175.314 174.900 -0.005 0.000 1.171 182 G CA -0.925 44.172 45.100 -0.005 0.000 0.920 182 G HN 0.322 nan 8.290 nan 0.000 0.499 183 L N -0.521 120.699 121.223 -0.005 0.000 2.554 183 L HA 0.150 4.492 4.340 0.003 0.000 0.226 183 L C 0.251 177.118 176.870 -0.006 0.000 1.137 183 L CA 0.325 55.162 54.840 -0.005 0.000 0.863 183 L CB -0.310 41.746 42.059 -0.005 0.000 0.985 183 L HN 0.507 nan 8.230 nan 0.000 0.451 184 Q N -1.643 118.154 119.800 -0.006 0.000 2.320 184 Q HA 0.411 4.753 4.340 0.003 0.000 0.272 184 Q C -1.436 174.559 176.000 -0.007 0.000 1.023 184 Q CA -0.822 54.977 55.803 -0.007 0.000 0.855 184 Q CB 0.782 29.515 28.738 -0.007 0.000 1.367 184 Q HN -0.107 nan 8.270 nan 0.000 0.406 185 D N 0.643 121.038 120.400 -0.008 0.000 2.398 185 D HA 0.510 5.152 4.640 0.003 0.000 0.247 185 D C -0.614 175.680 176.300 -0.009 0.000 1.227 185 D CA -0.410 53.584 54.000 -0.009 0.000 0.980 185 D CB 0.805 41.599 40.800 -0.010 0.000 1.106 185 D HN 0.634 nan 8.370 nan 0.000 0.493 186 E N -0.227 119.967 120.200 -0.010 0.000 2.372 186 E HA 0.449 4.801 4.350 0.003 0.000 0.279 186 E C -2.035 174.558 176.600 -0.012 0.000 0.946 186 E CA -0.900 55.494 56.400 -0.011 0.000 0.769 186 E CB 1.529 31.223 29.700 -0.010 0.000 1.230 186 E HN 0.268 nan 8.360 nan 0.000 0.442 187 L N 3.198 124.414 121.223 -0.012 0.000 2.322 187 L HA 0.646 4.988 4.340 0.003 0.000 0.281 187 L C -1.333 175.529 176.870 -0.012 0.000 1.014 187 L CA -0.035 54.797 54.840 -0.013 0.000 0.815 187 L CB 1.588 43.639 42.059 -0.013 0.000 1.247 187 L HN 0.581 nan 8.230 nan 0.000 0.421 188 D N 2.719 123.111 120.400 -0.013 0.000 2.596 188 D HA 0.690 5.332 4.640 0.003 0.000 0.234 188 D C -1.779 174.512 176.300 -0.014 0.000 1.181 188 D CA -0.103 53.889 54.000 -0.014 0.000 0.856 188 D CB 2.657 43.449 40.800 -0.014 0.000 1.498 188 D HN 0.322 nan 8.370 nan 0.000 0.446 189 V N 1.389 121.294 119.914 -0.014 0.000 2.733 189 V HA 0.383 4.504 4.120 0.003 0.000 0.306 189 V C -0.420 175.664 176.094 -0.016 0.000 1.084 189 V CA -0.865 61.427 62.300 -0.014 0.000 0.905 189 V CB 1.989 33.805 31.823 -0.012 0.000 1.010 189 V HN 0.414 nan 8.190 nan 0.000 0.424 190 V N 4.118 124.023 119.914 -0.016 0.000 2.350 190 V HA 0.471 4.593 4.120 0.003 0.000 0.276 190 V C 0.009 176.095 176.094 -0.013 0.000 1.028 190 V CA -0.525 61.764 62.300 -0.019 0.000 0.860 190 V CB 1.415 33.224 31.823 -0.024 0.000 0.990 190 V HN 0.816 nan 8.190 nan 0.000 0.453 191 E N 2.809 123.001 120.200 -0.013 0.000 2.242 191 E HA 0.668 5.020 4.350 0.003 0.000 0.275 191 E C 0.695 177.292 176.600 -0.006 0.000 1.002 191 E CA 0.677 57.073 56.400 -0.008 0.000 0.841 191 E CB 1.873 31.568 29.700 -0.008 0.000 1.109 191 E HN 0.938 nan 8.360 nan 0.000 0.394 192 G N 1.853 110.654 108.800 0.002 0.000 2.553 192 G HA2 -0.287 3.674 3.960 0.003 0.000 0.242 192 G HA3 -0.287 3.674 3.960 0.003 0.000 0.242 192 G C -0.301 174.611 174.900 0.021 0.000 1.277 192 G CA -0.000 45.106 45.100 0.011 0.000 0.910 192 G HN 0.503 nan 8.290 nan 0.000 0.576 193 M N 1.080 120.703 119.600 0.039 0.000 2.180 193 M HA 0.614 5.095 4.480 0.003 0.000 0.350 193 M C -0.197 176.129 176.300 0.044 0.000 1.125 193 M CA -0.395 54.952 55.300 0.079 0.000 1.031 193 M CB 1.227 33.912 32.600 0.142 0.000 1.623 193 M HN 0.733 nan 8.290 nan 0.000 0.451 194 Q N 5.102 124.918 119.800 0.028 0.000 2.347 194 Q HA 0.647 4.988 4.340 0.003 0.000 0.271 194 Q C -2.004 174.001 176.000 0.007 0.000 1.064 194 Q CA -0.676 55.067 55.803 -0.100 0.000 0.800 194 Q CB 2.149 30.819 28.738 -0.114 0.000 1.304 194 Q HN 0.730 nan 8.270 nan 0.000 0.438 195 F N -0.607 119.333 119.950 -0.017 0.000 2.650 195 F HA 0.508 5.037 4.527 0.003 0.000 0.320 195 F C -0.513 175.275 175.800 -0.021 0.000 1.091 195 F CA -1.198 56.790 58.000 -0.020 0.000 0.962 195 F CB 0.946 39.934 39.000 -0.021 0.000 1.363 195 F HN 0.366 nan 8.300 nan 0.000 0.482 196 D N 0.685 121.236 120.400 0.252 0.000 2.826 196 D HA 0.201 4.843 4.640 0.003 0.000 0.247 196 D C -0.475 175.908 176.300 0.138 0.000 1.238 196 D CA 0.521 54.597 54.000 0.127 0.000 0.894 196 D CB -0.256 40.602 40.800 0.096 0.000 1.100 196 D HN 0.480 nan 8.370 nan 0.000 0.453 197 R N -0.176 120.404 120.500 0.135 0.000 2.515 197 R HA 0.589 4.930 4.340 0.003 0.000 0.278 197 R C -0.312 175.971 176.300 -0.027 0.000 1.107 197 R CA -0.650 55.513 56.100 0.106 0.000 0.945 197 R CB 1.056 31.515 30.300 0.264 0.000 1.219 197 R HN 0.064 nan 8.270 nan 0.000 0.434 198 G N 1.608 110.355 108.800 -0.088 0.000 2.828 198 G HA2 0.346 4.308 3.960 0.003 0.000 0.244 198 G HA3 0.346 4.308 3.960 0.003 0.000 0.244 198 G C -0.930 173.916 174.900 -0.090 0.000 1.365 198 G CA -0.555 44.446 45.100 -0.165 0.000 1.041 198 G HN 0.583 nan 8.290 nan 0.000 0.560 199 Y N -0.853 119.460 120.300 0.023 0.000 2.652 199 Y HA 0.361 4.913 4.550 0.003 0.000 0.344 199 Y C 1.178 177.118 175.900 0.068 0.000 1.254 199 Y CA -0.633 57.499 58.100 0.052 0.000 1.480 199 Y CB 0.290 38.776 38.460 0.043 0.000 1.345 199 Y HN 0.234 nan 8.280 nan 0.000 0.617 200 L N 0.971 122.399 121.223 0.341 0.000 2.116 200 L HA 0.020 4.362 4.340 0.003 0.000 0.200 200 L C 1.303 178.383 176.870 0.350 0.000 1.084 200 L CA 0.977 55.987 54.840 0.283 0.000 0.766 200 L CB -0.341 41.830 42.059 0.186 0.000 0.930 200 L HN 0.743 nan 8.230 nan 0.000 0.453 201 S N 0.539 116.403 115.700 0.272 0.000 2.465 201 S HA 0.199 4.670 4.470 0.003 0.000 0.279 201 S C -1.548 173.032 174.600 -0.033 0.000 1.201 201 S CA -1.501 56.821 58.200 0.203 0.000 1.053 201 S CB 0.985 64.315 63.200 0.217 0.000 0.953 201 S HN 0.040 nan 8.310 nan 0.000 0.488 202 P HA 0.019 nan 4.420 nan 0.000 0.236 202 P C 0.415 177.511 177.300 -0.339 0.000 1.177 202 P CA 0.504 63.253 63.100 -0.584 0.000 0.773 202 P CB -0.081 31.370 31.700 -0.415 0.000 0.878 203 Y N -1.523 118.722 120.300 -0.092 0.000 2.680 203 Y HA 0.002 4.554 4.550 0.003 0.000 0.303 203 Y C 1.904 177.846 175.900 0.071 0.000 1.166 203 Y CA 0.864 58.953 58.100 -0.017 0.000 1.344 203 Y CB -0.744 37.712 38.460 -0.006 0.000 1.002 203 Y HN -0.011 nan 8.280 nan 0.000 0.537 204 F N -0.502 119.427 119.950 -0.036 0.000 2.661 204 F HA 0.295 4.824 4.527 0.003 0.000 0.306 204 F C 0.244 175.991 175.800 -0.088 0.000 1.094 204 F CA -0.338 57.639 58.000 -0.039 0.000 1.254 204 F CB 0.357 39.350 39.000 -0.012 0.000 1.040 204 F HN -0.207 nan 8.300 nan 0.000 0.562 205 I N 3.399 123.892 120.570 -0.129 0.000 2.624 205 I HA -0.135 4.037 4.170 0.003 0.000 0.307 205 I C 1.336 177.387 176.117 -0.111 0.000 1.191 205 I CA 0.227 61.410 61.300 -0.194 0.000 1.708 205 I CB -0.277 37.592 38.000 -0.217 0.000 1.521 205 I HN 0.362 nan 8.210 nan 0.000 0.805 206 N N 5.059 123.675 118.700 -0.140 0.000 2.515 206 N HA -0.069 4.673 4.740 0.003 0.000 0.185 206 N C 0.162 175.639 175.510 -0.055 0.000 1.109 206 N CA 0.394 53.407 53.050 -0.062 0.000 0.903 206 N CB 0.419 38.877 38.487 -0.048 0.000 0.969 206 N HN 0.330 nan 8.380 nan 0.000 0.450 207 K N 1.177 121.535 120.400 -0.070 0.000 2.592 207 K HA 0.288 4.609 4.320 0.003 0.000 0.212 207 K C -2.091 174.485 176.600 -0.040 0.000 1.013 207 K CA -1.772 54.487 56.287 -0.047 0.000 1.034 207 K CB 2.034 34.506 32.500 -0.046 0.000 1.292 207 K HN -0.045 nan 8.250 nan 0.000 0.521 208 P HA -0.146 nan 4.420 nan 0.000 0.221 208 P C 0.617 177.906 177.300 -0.018 0.000 1.145 208 P CA 1.118 64.201 63.100 -0.027 0.000 0.795 208 P CB 0.566 32.250 31.700 -0.027 0.000 0.775 209 E N -0.635 119.555 120.200 -0.018 0.000 2.031 209 E HA -0.160 4.191 4.350 0.003 0.000 0.193 209 E C 2.104 178.696 176.600 -0.014 0.000 0.994 209 E CA 2.179 58.570 56.400 -0.015 0.000 0.800 209 E CB -1.603 28.088 29.700 -0.015 0.000 0.752 209 E HN 0.374 nan 8.360 nan 0.000 0.447 210 T N -3.106 111.438 114.554 -0.016 0.000 2.698 210 T HA 0.123 4.474 4.350 0.003 0.000 0.260 210 T C 1.608 176.304 174.700 -0.007 0.000 1.044 210 T CA 0.889 62.980 62.100 -0.015 0.000 1.149 210 T CB -0.355 68.500 68.868 -0.022 0.000 0.864 210 T HN 0.369 nan 8.240 nan 0.000 0.419 211 G N 0.876 109.674 108.800 -0.003 0.000 2.247 211 G HA2 0.380 4.342 3.960 0.003 0.000 0.111 211 G HA3 0.380 4.342 3.960 0.003 0.000 0.111 211 G C -0.144 174.788 174.900 0.053 0.000 1.045 211 G CA -0.247 44.866 45.100 0.023 0.000 0.715 211 G HN 1.084 nan 8.290 nan 0.000 0.485 212 A N -0.833 121.990 122.820 0.005 0.000 2.479 212 A HA 0.948 5.270 4.320 0.003 0.000 0.296 212 A C -0.227 177.301 177.584 -0.093 0.000 1.121 212 A CA -0.513 51.522 52.037 -0.004 0.000 0.743 212 A CB 1.964 20.948 19.000 -0.028 0.000 1.323 212 A HN 1.271 nan 8.150 nan 0.000 0.415 213 V N 1.176 121.007 119.914 -0.138 0.000 2.509 213 V HA 0.367 4.489 4.120 0.003 0.000 0.284 213 V C -0.023 175.919 176.094 -0.254 0.000 1.047 213 V CA -0.308 61.788 62.300 -0.341 0.000 0.952 213 V CB 1.078 32.610 31.823 -0.485 0.000 0.988 213 V HN 0.896 nan 8.190 nan 0.000 0.469 214 E N 4.553 124.593 120.200 -0.267 0.000 2.183 214 E HA 0.681 5.032 4.350 0.003 0.000 0.271 214 E C -1.329 175.200 176.600 -0.118 0.000 0.919 214 E CA -0.652 55.660 56.400 -0.148 0.000 0.781 214 E CB 2.261 31.903 29.700 -0.097 0.000 1.140 214 E HN 0.508 nan 8.360 nan 0.000 0.402 215 L N 2.676 123.865 121.223 -0.057 0.000 2.415 215 L HA 0.354 4.696 4.340 0.003 0.000 0.268 215 L C -0.398 176.465 176.870 -0.011 0.000 0.984 215 L CA -0.767 54.069 54.840 -0.007 0.000 0.853 215 L CB 1.583 43.655 42.059 0.023 0.000 1.215 215 L HN 0.461 nan 8.230 nan 0.000 0.419 216 E N 1.394 121.588 120.200 -0.010 0.000 2.366 216 E HA 0.119 4.471 4.350 0.003 0.000 0.266 216 E C 0.475 177.054 176.600 -0.036 0.000 1.051 216 E CA 0.043 56.430 56.400 -0.021 0.000 0.884 216 E CB 1.282 30.971 29.700 -0.019 0.000 1.006 216 E HN 0.445 nan 8.360 nan 0.000 0.417 217 S N 4.807 120.472 115.700 -0.057 0.000 3.636 217 S HA -0.109 4.363 4.470 0.003 0.000 0.142 217 S C -2.235 172.273 174.600 -0.153 0.000 0.328 217 S CA -0.208 57.931 58.200 -0.102 0.000 1.415 217 S CB -0.705 62.421 63.200 -0.124 0.000 1.171 217 S HN 0.325 nan 8.310 nan 0.000 0.260 218 P HA 0.292 nan 4.420 nan 0.000 0.276 218 P C -0.014 177.215 177.300 -0.118 0.000 1.244 218 P CA -0.603 62.463 63.100 -0.057 0.000 0.801 218 P CB 0.417 32.146 31.700 0.049 0.000 1.006 219 F N 0.699 120.674 119.950 0.043 0.000 2.410 219 F HA 0.343 4.871 4.527 0.003 0.000 0.334 219 F C 1.016 176.843 175.800 0.046 0.000 1.134 219 F CA 0.227 58.249 58.000 0.038 0.000 1.227 219 F CB 0.176 39.195 39.000 0.032 0.000 1.194 219 F HN 0.055 nan 8.300 nan 0.000 0.571 220 I N 3.672 124.394 120.570 0.254 0.000 2.534 220 I HA 0.304 4.476 4.170 0.003 0.000 0.288 220 I C -1.426 174.758 176.117 0.111 0.000 1.077 220 I CA -0.773 60.619 61.300 0.153 0.000 1.051 220 I CB 2.017 40.089 38.000 0.120 0.000 1.234 220 I HN 0.278 nan 8.210 nan 0.000 0.425 221 L N 7.590 128.862 121.223 0.082 0.000 2.346 221 L HA 0.666 5.007 4.340 0.003 0.000 0.276 221 L C -1.296 175.593 176.870 0.031 0.000 1.006 221 L CA -0.327 54.540 54.840 0.045 0.000 0.817 221 L CB 1.705 43.783 42.059 0.031 0.000 1.272 221 L HN 0.440 nan 8.230 nan 0.000 0.421 222 L N 5.113 126.343 121.223 0.011 0.000 2.376 222 L HA 0.859 5.200 4.340 0.003 0.000 0.275 222 L C -0.664 176.200 176.870 -0.011 0.000 0.987 222 L CA -0.648 54.188 54.840 -0.008 0.000 0.828 222 L CB 1.769 43.814 42.059 -0.024 0.000 1.249 222 L HN 0.746 nan 8.230 nan 0.000 0.409 223 A N 1.576 124.390 122.820 -0.010 0.000 2.385 223 A HA 0.429 4.751 4.320 0.003 0.000 0.290 223 A C -0.934 176.643 177.584 -0.011 0.000 1.094 223 A CA -0.522 51.511 52.037 -0.008 0.000 0.729 223 A CB 1.260 20.261 19.000 0.001 0.000 1.194 223 A HN 0.743 nan 8.150 nan 0.000 0.442 224 D N 2.489 122.880 120.400 -0.015 0.000 2.558 224 D HA 0.468 5.109 4.640 0.003 0.000 0.221 224 D C -0.167 176.130 176.300 -0.006 0.000 1.143 224 D CA 0.261 54.252 54.000 -0.014 0.000 1.010 224 D CB -0.422 40.365 40.800 -0.020 0.000 1.068 224 D HN 0.563 nan 8.370 nan 0.000 0.511 225 K N 0.224 120.624 120.400 -0.000 0.000 2.894 225 K HA 0.182 4.503 4.320 0.003 0.000 0.293 225 K C -1.457 175.149 176.600 0.010 0.000 1.091 225 K CA -1.124 55.166 56.287 0.005 0.000 0.865 225 K CB -0.047 32.455 32.500 0.003 0.000 1.441 225 K HN 0.025 nan 8.250 nan 0.000 0.361 226 K N 1.900 122.308 120.400 0.014 0.000 2.174 226 K HA 0.560 4.882 4.320 0.003 0.000 0.275 226 K C -0.613 175.997 176.600 0.016 0.000 1.015 226 K CA -0.659 55.639 56.287 0.018 0.000 0.933 226 K CB 0.933 33.446 32.500 0.021 0.000 1.025 226 K HN 0.560 nan 8.250 nan 0.000 0.463 227 I N 1.674 122.255 120.570 0.019 0.000 2.460 227 I HA 0.088 4.259 4.170 0.003 0.000 0.298 227 I C 0.513 176.640 176.117 0.017 0.000 0.989 227 I CA -0.413 60.897 61.300 0.016 0.000 1.173 227 I CB 1.998 40.009 38.000 0.019 0.000 1.338 227 I HN 0.846 nan 8.210 nan 0.000 0.456 228 S N 2.881 118.588 115.700 0.012 0.000 2.692 228 S HA 0.261 4.733 4.470 0.003 0.000 0.269 228 S C 0.090 174.693 174.600 0.006 0.000 1.080 228 S CA -0.106 58.100 58.200 0.010 0.000 1.058 228 S CB 0.310 63.515 63.200 0.009 0.000 0.982 228 S HN 0.708 nan 8.310 nan 0.000 0.534 229 N N 0.687 119.389 118.700 0.003 0.000 2.321 229 N HA 0.404 5.146 4.740 0.003 0.000 0.299 229 N C 0.126 175.634 175.510 -0.003 0.000 1.048 229 N CA -0.393 52.657 53.050 -0.001 0.000 0.836 229 N CB 1.646 40.132 38.487 -0.002 0.000 1.269 229 N HN -0.035 nan 8.380 nan 0.000 0.486 230 I N 1.896 122.463 120.570 -0.006 0.000 2.567 230 I HA -0.118 4.054 4.170 0.003 0.000 0.257 230 I C 2.304 178.416 176.117 -0.010 0.000 1.184 230 I CA 1.108 62.403 61.300 -0.009 0.000 1.451 230 I CB -0.311 37.681 38.000 -0.013 0.000 1.089 230 I HN 0.583 nan 8.210 nan 0.000 0.441 231 R N 0.753 121.247 120.500 -0.009 0.000 2.153 231 R HA -0.253 4.088 4.340 0.003 0.000 0.252 231 R C 1.743 178.037 176.300 -0.009 0.000 1.158 231 R CA 2.122 58.216 56.100 -0.009 0.000 0.975 231 R CB -0.294 30.002 30.300 -0.008 0.000 0.871 231 R HN 0.522 nan 8.270 nan 0.000 0.450 232 E N -1.136 119.060 120.200 -0.007 0.000 2.478 232 E HA -0.104 4.248 4.350 0.003 0.000 0.198 232 E C 1.230 177.825 176.600 -0.007 0.000 1.046 232 E CA 0.457 56.854 56.400 -0.006 0.000 0.870 232 E CB 0.276 29.976 29.700 -0.001 0.000 0.818 232 E HN 0.324 nan 8.360 nan 0.000 0.527 233 M N -1.003 118.591 119.600 -0.010 0.000 2.180 233 M HA 0.129 4.610 4.480 0.003 0.000 0.289 233 M C 1.805 178.094 176.300 -0.020 0.000 1.089 233 M CA 0.186 55.478 55.300 -0.012 0.000 1.120 233 M CB -0.131 32.466 32.600 -0.006 0.000 1.864 233 M HN 0.094 nan 8.290 nan 0.000 0.636 234 L N 1.030 122.241 121.223 -0.019 0.000 2.034 234 L HA -0.250 4.092 4.340 0.003 0.000 0.217 234 L C -0.585 176.268 176.870 -0.027 0.000 1.077 234 L CA 2.166 56.993 54.840 -0.021 0.000 0.769 234 L CB -1.865 40.183 42.059 -0.019 0.000 0.890 234 L HN 0.168 nan 8.230 nan 0.000 0.435 235 P HA -0.135 nan 4.420 nan 0.000 0.215 235 P C 1.889 179.158 177.300 -0.052 0.000 1.153 235 P CA 1.143 64.221 63.100 -0.037 0.000 0.853 235 P CB 0.055 31.733 31.700 -0.036 0.000 0.788 236 V N -0.586 119.292 119.914 -0.059 0.000 2.358 236 V HA -0.214 3.908 4.120 0.003 0.000 0.246 236 V C 2.454 178.504 176.094 -0.073 0.000 1.047 236 V CA 1.440 63.687 62.300 -0.087 0.000 1.035 236 V CB -1.164 30.611 31.823 -0.080 0.000 0.658 236 V HN 0.072 nan 8.190 nan 0.000 0.452 237 L N -0.041 121.157 121.223 -0.043 0.000 1.970 237 L HA -0.241 4.100 4.340 0.003 0.000 0.212 237 L C 2.724 179.578 176.870 -0.026 0.000 1.071 237 L CA 2.276 57.100 54.840 -0.027 0.000 0.751 237 L CB -0.318 41.728 42.059 -0.021 0.000 0.889 237 L HN 0.388 nan 8.230 nan 0.000 0.432 238 E N -0.163 120.021 120.200 -0.028 0.000 2.153 238 E HA -0.192 4.160 4.350 0.003 0.000 0.194 238 E C 1.880 178.465 176.600 -0.026 0.000 0.988 238 E CA 1.362 57.748 56.400 -0.023 0.000 0.811 238 E CB -0.058 29.629 29.700 -0.022 0.000 0.746 238 E HN 0.477 nan 8.360 nan 0.000 0.466 239 A N -0.138 122.655 122.820 -0.045 0.000 1.898 239 A HA -0.085 4.237 4.320 0.003 0.000 0.216 239 A C 2.431 179.985 177.584 -0.050 0.000 1.181 239 A CA 1.435 53.437 52.037 -0.058 0.000 0.620 239 A CB -0.566 18.375 19.000 -0.098 0.000 0.819 239 A HN 0.198 nan 8.150 nan 0.000 0.442 240 V N -0.158 119.724 119.914 -0.053 0.000 2.548 240 V HA -0.171 3.951 4.120 0.003 0.000 0.249 240 V C 2.976 179.107 176.094 0.062 0.000 1.055 240 V CA 1.534 63.844 62.300 0.018 0.000 1.065 240 V CB -0.992 30.851 31.823 0.034 0.000 0.681 240 V HN 0.595 nan 8.190 nan 0.000 0.462 241 A N 0.038 122.875 122.820 0.028 0.000 1.978 241 A HA -0.236 4.086 4.320 0.003 0.000 0.220 241 A C 2.156 179.759 177.584 0.030 0.000 1.170 241 A CA 1.783 53.836 52.037 0.026 0.000 0.636 241 A CB -0.363 18.641 19.000 0.007 0.000 0.810 241 A HN 0.580 nan 8.150 nan 0.000 0.448 242 K N -0.796 119.621 120.400 0.027 0.000 2.444 242 K HA 0.301 4.623 4.320 0.003 0.000 0.193 242 K C 1.591 178.222 176.600 0.051 0.000 1.024 242 K CA 0.522 56.826 56.287 0.029 0.000 1.077 242 K CB 0.096 32.605 32.500 0.015 0.000 0.833 242 K HN 0.436 nan 8.250 nan 0.000 0.517 243 A N 0.056 122.927 122.820 0.084 0.000 2.013 243 A HA 0.325 4.647 4.320 0.003 0.000 0.204 243 A C 1.673 179.324 177.584 0.112 0.000 1.262 243 A CA 0.760 52.876 52.037 0.131 0.000 0.800 243 A CB 0.009 19.163 19.000 0.257 0.000 0.909 243 A HN 0.281 nan 8.150 nan 0.000 0.472 244 G N -0.384 108.478 108.800 0.104 0.000 2.205 244 G HA2 -0.285 3.677 3.960 0.003 0.000 0.261 244 G HA3 -0.285 3.677 3.960 0.003 0.000 0.261 244 G C 0.317 175.262 174.900 0.074 0.000 0.980 244 G CA 0.681 45.825 45.100 0.074 0.000 0.632 244 G HN 0.593 nan 8.290 nan 0.000 0.533 245 K N 1.499 121.956 120.400 0.095 0.000 2.355 245 K HA 0.410 4.732 4.320 0.003 0.000 0.270 245 K C -1.943 174.725 176.600 0.114 0.000 1.003 245 K CA -1.264 55.045 56.287 0.037 0.000 0.957 245 K CB 0.566 32.978 32.500 -0.147 0.000 0.939 245 K HN 0.128 nan 8.250 nan 0.000 0.482 246 P HA 0.064 nan 4.420 nan 0.000 0.272 246 P C -1.238 176.176 177.300 0.191 0.000 1.254 246 P CA -0.445 62.738 63.100 0.139 0.000 0.795 246 P CB 0.455 32.235 31.700 0.133 0.000 1.022 247 L N 0.459 121.801 121.223 0.198 0.000 2.445 247 L HA 0.656 4.998 4.340 0.003 0.000 0.262 247 L C -1.914 175.066 176.870 0.184 0.000 0.974 247 L CA -0.872 54.093 54.840 0.209 0.000 0.822 247 L CB 1.916 44.084 42.059 0.181 0.000 1.339 247 L HN 0.122 nan 8.230 nan 0.000 0.409 248 L N 5.171 126.497 121.223 0.171 0.000 2.356 248 L HA 0.692 5.033 4.340 0.003 0.000 0.277 248 L C -1.357 175.591 176.870 0.129 0.000 0.996 248 L CA -0.127 54.808 54.840 0.158 0.000 0.822 248 L CB 1.507 43.658 42.059 0.155 0.000 1.256 248 L HN 0.553 nan 8.230 nan 0.000 0.413 249 I N 6.572 127.212 120.570 0.117 0.000 2.307 249 I HA 0.360 4.531 4.170 0.003 0.000 0.289 249 I C -0.236 175.936 176.117 0.092 0.000 1.021 249 I CA 0.043 61.396 61.300 0.088 0.000 1.224 249 I CB 0.907 38.950 38.000 0.071 0.000 1.376 249 I HN 0.414 nan 8.210 nan 0.000 0.470 250 I N 6.363 126.977 120.570 0.073 0.000 2.306 250 I HA 0.592 4.764 4.170 0.003 0.000 0.288 250 I C 0.527 176.661 176.117 0.029 0.000 1.036 250 I CA -0.207 61.127 61.300 0.058 0.000 1.221 250 I CB 0.672 38.689 38.000 0.028 0.000 1.385 250 I HN 0.662 nan 8.210 nan 0.000 0.472 251 A N 4.964 127.806 122.820 0.037 0.000 2.452 251 A HA 0.399 4.721 4.320 0.003 0.000 0.285 251 A C 1.114 178.710 177.584 0.019 0.000 1.209 251 A CA -0.454 51.597 52.037 0.024 0.000 0.940 251 A CB 0.888 19.907 19.000 0.032 0.000 1.440 251 A HN 0.728 nan 8.150 nan 0.000 0.480 252 E N -1.088 119.121 120.200 0.016 0.000 2.072 252 E HA -0.102 4.250 4.350 0.003 0.000 0.191 252 E C -0.424 176.196 176.600 0.034 0.000 0.985 252 E CA 1.392 57.804 56.400 0.020 0.000 0.801 252 E CB 0.170 29.880 29.700 0.016 0.000 0.750 252 E HN 0.595 nan 8.360 nan 0.000 0.452 253 D N -1.915 118.507 120.400 0.036 0.000 2.653 253 D HA 0.228 4.869 4.640 0.003 0.000 0.258 253 D C -1.898 174.428 176.300 0.043 0.000 1.252 253 D CA -0.553 53.473 54.000 0.044 0.000 0.777 253 D CB 2.195 43.020 40.800 0.041 0.000 1.339 253 D HN -0.136 nan 8.370 nan 0.000 0.422 254 V N 2.488 122.433 119.914 0.051 0.000 2.488 254 V HA 0.454 4.575 4.120 0.003 0.000 0.293 254 V C 0.041 176.164 176.094 0.047 0.000 1.027 254 V CA -0.673 61.655 62.300 0.047 0.000 0.862 254 V CB 1.402 33.259 31.823 0.056 0.000 1.008 254 V HN 0.587 nan 8.190 nan 0.000 0.428 255 E N 3.647 123.868 120.200 0.035 0.000 2.449 255 E HA 0.849 5.201 4.350 0.003 0.000 0.254 255 E C 0.495 177.108 176.600 0.022 0.000 0.907 255 E CA -0.181 56.239 56.400 0.032 0.000 0.840 255 E CB 2.097 31.815 29.700 0.030 0.000 1.459 255 E HN 1.073 nan 8.360 nan 0.000 0.407 256 G N 1.277 110.088 108.800 0.018 0.000 2.552 256 G HA2 -0.414 3.548 3.960 0.003 0.000 0.265 256 G HA3 -0.414 3.548 3.960 0.003 0.000 0.265 256 G C 0.612 175.514 174.900 0.003 0.000 1.234 256 G CA 0.905 46.010 45.100 0.009 0.000 0.944 256 G HN 0.820 nan 8.290 nan 0.000 0.568 257 E N 0.317 120.516 120.200 -0.002 0.000 2.274 257 E HA 0.393 4.745 4.350 0.003 0.000 0.194 257 E C 2.612 179.206 176.600 -0.010 0.000 0.996 257 E CA 2.158 58.553 56.400 -0.009 0.000 0.840 257 E CB -0.555 29.138 29.700 -0.011 0.000 0.772 257 E HN 1.331 nan 8.360 nan 0.000 0.491 258 A N 1.332 124.150 122.820 -0.003 0.000 1.865 258 A HA -0.132 4.190 4.320 0.003 0.000 0.217 258 A C 2.201 179.786 177.584 0.000 0.000 1.191 258 A CA 1.594 53.630 52.037 -0.001 0.000 0.623 258 A CB -0.856 18.149 19.000 0.007 0.000 0.826 258 A HN 0.328 nan 8.150 nan 0.000 0.444 259 L N -0.329 120.899 121.223 0.009 0.000 2.017 259 L HA -0.066 4.275 4.340 0.003 0.000 0.208 259 L C 2.735 179.599 176.870 -0.010 0.000 1.073 259 L CA 2.236 57.085 54.840 0.015 0.000 0.745 259 L CB -0.829 41.249 42.059 0.033 0.000 0.894 259 L HN 0.368 nan 8.230 nan 0.000 0.432 260 A N -1.033 121.772 122.820 -0.024 0.000 1.865 260 A HA -0.256 4.065 4.320 0.003 0.000 0.217 260 A C 2.357 179.904 177.584 -0.061 0.000 1.191 260 A CA 2.759 54.765 52.037 -0.052 0.000 0.623 260 A CB -1.480 17.493 19.000 -0.046 0.000 0.826 260 A HN 0.617 nan 8.150 nan 0.000 0.444 261 T N -1.255 113.272 114.554 -0.045 0.000 2.788 261 T HA -0.075 4.276 4.350 0.003 0.000 0.268 261 T C 1.828 176.494 174.700 -0.056 0.000 1.044 261 T CA 1.440 63.512 62.100 -0.048 0.000 1.139 261 T CB -0.601 68.246 68.868 -0.034 0.000 0.867 261 T HN 0.282 nan 8.240 nan 0.000 0.454 262 L N 0.619 121.813 121.223 -0.049 0.000 2.017 262 L HA -0.054 4.288 4.340 0.003 0.000 0.208 262 L C 2.982 179.787 176.870 -0.108 0.000 1.073 262 L CA 0.927 55.730 54.840 -0.062 0.000 0.745 262 L CB -0.704 41.339 42.059 -0.027 0.000 0.894 262 L HN 0.157 nan 8.230 nan 0.000 0.432 263 V N -0.720 119.136 119.914 -0.098 0.000 2.343 263 V HA -0.253 3.869 4.120 0.003 0.000 0.247 263 V C 2.388 178.393 176.094 -0.148 0.000 1.051 263 V CA 1.550 63.772 62.300 -0.132 0.000 1.036 263 V CB -0.218 31.532 31.823 -0.122 0.000 0.654 263 V HN 0.204 nan 8.190 nan 0.000 0.451 264 V N 0.296 120.137 119.914 -0.121 0.000 2.358 264 V HA -0.206 3.915 4.120 0.003 0.000 0.246 264 V C 2.203 178.237 176.094 -0.099 0.000 1.047 264 V CA 1.938 64.175 62.300 -0.105 0.000 1.035 264 V CB -0.777 30.996 31.823 -0.084 0.000 0.658 264 V HN 0.588 nan 8.190 nan 0.000 0.452 265 N N -0.155 118.486 118.700 -0.098 0.000 2.381 265 N HA -0.114 4.628 4.740 0.003 0.000 0.182 265 N C 1.762 177.197 175.510 -0.125 0.000 1.025 265 N CA 1.679 54.675 53.050 -0.091 0.000 0.888 265 N CB 0.009 38.452 38.487 -0.073 0.000 0.965 265 N HN 0.503 nan 8.380 nan 0.000 0.438 266 T N 1.837 116.275 114.554 -0.195 0.000 2.684 266 T HA -0.052 4.299 4.350 0.003 0.000 0.253 266 T C 1.967 176.565 174.700 -0.171 0.000 1.057 266 T CA 0.512 62.444 62.100 -0.280 0.000 1.162 266 T CB -0.196 68.330 68.868 -0.570 0.000 0.868 266 T HN 0.112 nan 8.240 nan 0.000 0.409 267 M N 1.228 120.744 119.600 -0.140 0.000 2.108 267 M HA -0.096 4.386 4.480 0.003 0.000 0.257 267 M C 1.921 178.188 176.300 -0.055 0.000 1.071 267 M CA 1.793 57.047 55.300 -0.078 0.000 1.093 267 M CB -0.588 31.963 32.600 -0.081 0.000 1.345 267 M HN -0.010 nan 8.290 nan 0.000 0.403 268 R N 0.632 121.096 120.500 -0.060 0.000 2.320 268 R HA 0.196 4.537 4.340 0.003 0.000 0.211 268 R C 0.438 176.718 176.300 -0.034 0.000 0.931 268 R CA 0.738 56.812 56.100 -0.042 0.000 1.071 268 R CB -1.041 29.233 30.300 -0.044 0.000 1.025 268 R HN 0.663 nan 8.270 nan 0.000 0.495 269 G N 0.834 109.611 108.800 -0.039 0.000 2.291 269 G HA2 -0.182 3.780 3.960 0.003 0.000 0.271 269 G HA3 -0.182 3.780 3.960 0.003 0.000 0.271 269 G C 0.313 175.199 174.900 -0.023 0.000 1.099 269 G CA 0.263 45.348 45.100 -0.025 0.000 0.919 269 G HN 0.231 nan 8.290 nan 0.000 0.496 270 I N -1.139 119.411 120.570 -0.034 0.000 2.900 270 I HA 0.285 4.457 4.170 0.003 0.000 0.251 270 I C 1.317 177.423 176.117 -0.018 0.000 1.102 270 I CA 1.585 62.870 61.300 -0.025 0.000 1.457 270 I CB -0.494 37.488 38.000 -0.031 0.000 1.285 270 I HN 0.694 nan 8.210 nan 0.000 0.459 271 V N -1.638 118.255 119.914 -0.036 0.000 3.000 271 V HA 0.421 4.543 4.120 0.003 0.000 0.300 271 V C -0.369 175.687 176.094 -0.063 0.000 1.251 271 V CA -1.305 60.983 62.300 -0.018 0.000 0.972 271 V CB 2.071 33.896 31.823 0.003 0.000 1.065 271 V HN 0.076 nan 8.190 nan 0.000 0.431 272 K N 2.471 122.873 120.400 0.002 0.000 2.245 272 K HA 0.402 4.724 4.320 0.003 0.000 0.281 272 K C -0.274 176.356 176.600 0.051 0.000 1.079 272 K CA 0.061 56.371 56.287 0.038 0.000 1.000 272 K CB 0.698 33.369 32.500 0.286 0.000 1.038 272 K HN 0.885 nan 8.250 nan 0.000 0.430 273 V N 0.269 120.093 119.914 -0.150 0.000 2.409 273 V HA 0.702 4.823 4.120 0.003 0.000 0.291 273 V C -0.147 176.004 176.094 0.095 0.000 1.020 273 V CA -1.089 61.211 62.300 0.001 0.000 0.848 273 V CB 1.436 33.238 31.823 -0.035 0.000 0.990 273 V HN 0.574 nan 8.190 nan 0.000 0.430 274 A N 3.916 126.925 122.820 0.316 0.000 2.325 274 A HA 1.023 5.344 4.320 0.003 0.000 0.333 274 A C 0.125 177.838 177.584 0.216 0.000 1.155 274 A CA -0.159 52.101 52.037 0.373 0.000 0.814 274 A CB 1.512 20.729 19.000 0.360 0.000 1.206 274 A HN 2.190 nan 8.150 nan 0.000 0.482 275 A N 0.966 123.908 122.820 0.203 0.000 2.449 275 A HA 0.775 5.097 4.320 0.003 0.000 0.302 275 A C -0.580 177.101 177.584 0.163 0.000 1.048 275 A CA -0.056 52.072 52.037 0.151 0.000 0.708 275 A CB 1.383 20.452 19.000 0.115 0.000 1.274 275 A HN 2.300 nan 8.150 nan 0.000 0.410 276 V N -0.508 119.489 119.914 0.139 0.000 3.049 276 V HA 0.633 4.755 4.120 0.003 0.000 0.309 276 V C -0.250 175.906 176.094 0.104 0.000 1.148 276 V CA -1.169 61.213 62.300 0.136 0.000 0.990 276 V CB 1.323 33.242 31.823 0.159 0.000 1.039 276 V HN 0.951 nan 8.190 nan 0.000 0.430 277 K N 1.531 121.987 120.400 0.094 0.000 2.159 277 K HA 0.592 4.913 4.320 0.003 0.000 0.242 277 K C 0.647 177.289 176.600 0.070 0.000 1.043 277 K CA 0.377 56.708 56.287 0.073 0.000 0.856 277 K CB 0.310 32.850 32.500 0.068 0.000 1.072 277 K HN 1.158 nan 8.250 nan 0.000 0.514 278 A N 1.834 124.684 122.820 0.049 0.000 2.366 278 A HA 0.272 4.594 4.320 0.003 0.000 0.249 278 A C -2.178 175.439 177.584 0.055 0.000 1.084 278 A CA -1.092 50.963 52.037 0.029 0.000 0.794 278 A CB -0.285 18.720 19.000 0.009 0.000 1.034 278 A HN 0.428 nan 8.150 nan 0.000 0.491 279 P HA 0.475 nan 4.420 nan 0.000 0.284 279 P C 0.302 177.597 177.300 -0.008 0.000 1.253 279 P CA 1.184 64.320 63.100 0.060 0.000 0.800 279 P CB 0.911 32.666 31.700 0.091 0.000 0.961 280 G N 2.387 111.185 108.800 -0.004 0.000 2.755 280 G HA2 -0.070 3.892 3.960 0.003 0.000 0.686 280 G HA3 -0.070 3.892 3.960 0.003 0.000 0.686 280 G C -0.689 174.188 174.900 -0.037 0.000 1.427 280 G CA -0.547 44.486 45.100 -0.111 0.000 0.873 280 G HN 0.587 nan 8.290 nan 0.000 0.580 281 F N 0.280 120.238 119.950 0.013 0.000 2.399 281 F HA 0.829 5.357 4.527 0.003 0.000 0.328 281 F C 0.982 176.783 175.800 0.001 0.000 1.084 281 F CA -0.292 57.714 58.000 0.011 0.000 1.053 281 F CB 1.253 40.264 39.000 0.019 0.000 1.209 281 F HN 2.408 nan 8.300 nan 0.000 0.502 282 G N 1.877 110.788 108.800 0.185 0.000 2.855 282 G HA2 -0.245 3.717 3.960 0.003 0.000 0.352 282 G HA3 -0.245 3.717 3.960 0.003 0.000 0.352 282 G C 0.046 174.945 174.900 -0.002 0.000 1.415 282 G CA -0.142 45.015 45.100 0.094 0.000 0.871 282 G HN 0.879 nan 8.290 nan 0.000 0.543 283 D N -0.085 120.311 120.400 -0.007 0.000 2.384 283 D HA -0.091 4.550 4.640 0.003 0.000 0.222 283 D C 2.272 178.536 176.300 -0.060 0.000 0.976 283 D CA 0.826 54.809 54.000 -0.028 0.000 0.915 283 D CB 0.020 40.810 40.800 -0.017 0.000 0.896 283 D HN 0.542 nan 8.370 nan 0.000 0.523 284 R N 1.644 122.088 120.500 -0.093 0.000 2.185 284 R HA -0.223 4.119 4.340 0.003 0.000 0.247 284 R C 2.171 178.391 176.300 -0.134 0.000 1.159 284 R CA 1.198 57.215 56.100 -0.138 0.000 0.988 284 R CB -0.129 30.036 30.300 -0.225 0.000 0.871 284 R HN 0.080 nan 8.270 nan 0.000 0.458 285 R N 0.851 121.281 120.500 -0.116 0.000 2.115 285 R HA -0.230 4.112 4.340 0.003 0.000 0.239 285 R C 1.884 178.131 176.300 -0.088 0.000 1.133 285 R CA 2.552 58.596 56.100 -0.093 0.000 0.935 285 R CB -0.147 30.120 30.300 -0.056 0.000 0.853 285 R HN 0.257 nan 8.270 nan 0.000 0.433 286 K N -0.338 120.020 120.400 -0.069 0.000 2.063 286 K HA -0.143 4.178 4.320 0.003 0.000 0.208 286 K C 2.155 178.712 176.600 -0.072 0.000 1.048 286 K CA 1.539 57.789 56.287 -0.062 0.000 0.928 286 K CB -0.214 32.258 32.500 -0.046 0.000 0.713 286 K HN 0.318 nan 8.250 nan 0.000 0.442 287 A N 1.298 124.073 122.820 -0.077 0.000 1.877 287 A HA -0.168 4.154 4.320 0.003 0.000 0.216 287 A C 2.145 179.674 177.584 -0.091 0.000 1.186 287 A CA 1.606 53.597 52.037 -0.077 0.000 0.620 287 A CB -0.458 18.495 19.000 -0.077 0.000 0.822 287 A HN 0.188 nan 8.150 nan 0.000 0.443 288 M N -1.395 118.137 119.600 -0.114 0.000 2.229 288 M HA -0.061 4.420 4.480 0.003 0.000 0.264 288 M C 2.146 178.332 176.300 -0.190 0.000 1.063 288 M CA 1.011 56.225 55.300 -0.144 0.000 1.114 288 M CB -0.362 32.145 32.600 -0.154 0.000 1.387 288 M HN 0.431 nan 8.290 nan 0.000 0.420 289 L N 0.660 121.782 121.223 -0.168 0.000 2.083 289 L HA -0.202 4.140 4.340 0.003 0.000 0.209 289 L C 2.458 179.253 176.870 -0.124 0.000 1.083 289 L CA 1.896 56.637 54.840 -0.165 0.000 0.752 289 L CB -0.605 41.384 42.059 -0.117 0.000 0.899 289 L HN 0.237 nan 8.230 nan 0.000 0.433 290 Q N -0.583 119.161 119.800 -0.093 0.000 2.230 290 Q HA -0.167 4.174 4.340 0.003 0.000 0.202 290 Q C 1.700 177.660 176.000 -0.066 0.000 0.963 290 Q CA 1.584 57.347 55.803 -0.067 0.000 0.866 290 Q CB -0.198 28.508 28.738 -0.053 0.000 0.931 290 Q HN 0.531 nan 8.270 nan 0.000 0.452 291 D N -0.123 120.228 120.400 -0.082 0.000 2.097 291 D HA -0.147 4.494 4.640 0.003 0.000 0.195 291 D C 1.781 178.040 176.300 -0.068 0.000 0.989 291 D CA 1.323 55.282 54.000 -0.068 0.000 0.827 291 D CB -0.166 40.592 40.800 -0.070 0.000 0.966 291 D HN 0.378 nan 8.370 nan 0.000 0.456 292 I N 1.245 121.742 120.570 -0.122 0.000 2.226 292 I HA -0.236 3.935 4.170 0.003 0.000 0.245 292 I C 2.520 178.606 176.117 -0.052 0.000 1.100 292 I CA 0.958 62.191 61.300 -0.111 0.000 1.374 292 I CB -0.244 37.607 38.000 -0.248 0.000 1.057 292 I HN -0.083 nan 8.210 nan 0.000 0.413 293 A N 0.482 123.269 122.820 -0.055 0.000 1.877 293 A HA -0.208 4.114 4.320 0.003 0.000 0.216 293 A C 2.390 179.967 177.584 -0.012 0.000 1.186 293 A CA 2.528 54.550 52.037 -0.027 0.000 0.620 293 A CB -1.138 17.842 19.000 -0.032 0.000 0.822 293 A HN 0.381 nan 8.150 nan 0.000 0.443 294 T N -0.076 114.468 114.554 -0.016 0.000 2.915 294 T HA -0.066 4.286 4.350 0.003 0.000 0.269 294 T C 1.733 176.433 174.700 0.001 0.000 1.071 294 T CA 1.259 63.355 62.100 -0.007 0.000 1.132 294 T CB -0.247 68.614 68.868 -0.012 0.000 0.878 294 T HN 0.298 nan 8.240 nan 0.000 0.479 295 L N 1.968 123.193 121.223 0.002 0.000 2.141 295 L HA -0.017 4.324 4.340 0.003 0.000 0.209 295 L C 2.347 179.230 176.870 0.021 0.000 1.094 295 L CA 1.826 56.675 54.840 0.015 0.000 0.763 295 L CB -0.676 41.398 42.059 0.025 0.000 0.908 295 L HN 0.381 nan 8.230 nan 0.000 0.437 296 T N -5.315 109.252 114.554 0.022 0.000 2.971 296 T HA 0.380 4.731 4.350 0.003 0.000 0.252 296 T C 1.327 176.048 174.700 0.035 0.000 1.022 296 T CA 0.264 62.383 62.100 0.033 0.000 0.980 296 T CB 0.194 69.088 68.868 0.043 0.000 1.044 296 T HN 0.512 nan 8.240 nan 0.000 0.501 297 G N 0.927 109.743 108.800 0.027 0.000 2.149 297 G HA2 0.038 3.999 3.960 0.003 0.000 0.235 297 G HA3 0.038 3.999 3.960 0.003 0.000 0.235 297 G C 0.280 175.201 174.900 0.035 0.000 1.018 297 G CA -0.307 44.811 45.100 0.030 0.000 0.728 297 G HN 1.008 nan 8.290 nan 0.000 0.508 298 G N -0.534 108.283 108.800 0.028 0.000 2.389 298 G HA2 0.623 4.585 3.960 0.003 0.000 0.317 298 G HA3 0.623 4.585 3.960 0.003 0.000 0.317 298 G C 0.197 175.103 174.900 0.010 0.000 1.137 298 G CA 0.297 45.413 45.100 0.026 0.000 0.870 298 G HN 0.487 nan 8.290 nan 0.000 0.496 299 T N 0.870 115.428 114.554 0.008 0.000 2.901 299 T HA 0.261 4.612 4.350 0.003 0.000 0.301 299 T C 0.430 175.125 174.700 -0.008 0.000 1.012 299 T CA -0.049 62.049 62.100 -0.002 0.000 1.135 299 T CB 1.312 70.177 68.868 -0.004 0.000 0.936 299 T HN 0.239 nan 8.240 nan 0.000 0.539 300 V N 4.917 124.823 119.914 -0.014 0.000 2.383 300 V HA 0.302 4.423 4.120 0.003 0.000 0.275 300 V C 0.054 176.138 176.094 -0.016 0.000 1.036 300 V CA -0.676 61.612 62.300 -0.020 0.000 0.889 300 V CB 0.875 32.681 31.823 -0.028 0.000 0.985 300 V HN 0.691 nan 8.190 nan 0.000 0.459 301 I N 4.508 125.069 120.570 -0.015 0.000 2.291 301 I HA 0.241 4.412 4.170 0.003 0.000 0.290 301 I C 0.572 176.681 176.117 -0.013 0.000 1.050 301 I CA 0.688 61.981 61.300 -0.012 0.000 1.245 301 I CB 1.415 39.409 38.000 -0.010 0.000 1.405 301 I HN 0.561 nan 8.210 nan 0.000 0.478 302 S N 4.937 120.629 115.700 -0.013 0.000 2.422 302 S HA 0.221 4.692 4.470 0.003 0.000 0.308 302 S C 1.028 175.623 174.600 -0.009 0.000 1.097 302 S CA -0.518 57.675 58.200 -0.012 0.000 1.099 302 S CB 0.571 63.763 63.200 -0.014 0.000 0.976 302 S HN 0.724 nan 8.310 nan 0.000 0.471 303 E N 3.153 123.349 120.200 -0.007 0.000 2.427 303 E HA -0.046 4.306 4.350 0.003 0.000 0.196 303 E C 0.994 177.591 176.600 -0.004 0.000 1.028 303 E CA 0.551 56.948 56.400 -0.004 0.000 0.864 303 E CB 0.197 29.896 29.700 -0.002 0.000 0.813 303 E HN 0.789 nan 8.360 nan 0.000 0.514 304 E N 0.197 120.395 120.200 -0.005 0.000 2.358 304 E HA -0.097 4.255 4.350 0.003 0.000 0.195 304 E C 1.592 178.189 176.600 -0.005 0.000 1.010 304 E CA 0.707 57.105 56.400 -0.004 0.000 0.856 304 E CB 0.075 29.773 29.700 -0.004 0.000 0.795 304 E HN 0.468 nan 8.360 nan 0.000 0.504 305 I N -3.886 116.681 120.570 -0.006 0.000 3.816 305 I HA 0.461 4.633 4.170 0.003 0.000 0.334 305 I C 0.850 176.963 176.117 -0.006 0.000 1.551 305 I CA -0.068 61.228 61.300 -0.006 0.000 1.153 305 I CB 0.430 38.426 38.000 -0.007 0.000 1.197 305 I HN 0.004 nan 8.210 nan 0.000 0.439 306 G N 1.867 110.664 108.800 -0.005 0.000 2.148 306 G HA2 -0.269 3.693 3.960 0.003 0.000 0.254 306 G HA3 -0.269 3.693 3.960 0.003 0.000 0.254 306 G C 0.143 175.039 174.900 -0.006 0.000 0.981 306 G CA 0.047 45.144 45.100 -0.005 0.000 0.670 306 G HN 0.472 nan 8.290 nan 0.000 0.528 307 M N 1.131 120.727 119.600 -0.007 0.000 2.227 307 M HA 0.239 4.720 4.480 0.003 0.000 0.349 307 M C 0.407 176.702 176.300 -0.008 0.000 1.443 307 M CA 0.584 55.880 55.300 -0.008 0.000 1.110 307 M CB 0.386 32.980 32.600 -0.009 0.000 1.773 307 M HN 0.192 nan 8.290 nan 0.000 0.463 308 E N 2.877 123.072 120.200 -0.008 0.000 2.105 308 E HA 0.048 4.399 4.350 0.003 0.000 0.285 308 E C 0.480 177.074 176.600 -0.010 0.000 1.055 308 E CA -0.358 56.036 56.400 -0.008 0.000 0.843 308 E CB 1.175 30.870 29.700 -0.009 0.000 1.067 308 E HN 0.562 nan 8.360 nan 0.000 0.398 309 L N 4.020 125.238 121.223 -0.009 0.000 2.131 309 L HA -0.173 4.169 4.340 0.003 0.000 0.210 309 L C 1.556 178.418 176.870 -0.013 0.000 1.092 309 L CA 1.859 56.693 54.840 -0.010 0.000 0.759 309 L CB -0.094 41.961 42.059 -0.006 0.000 0.903 309 L HN 0.523 nan 8.230 nan 0.000 0.435 310 E N -0.198 119.995 120.200 -0.012 0.000 2.401 310 E HA -0.223 4.129 4.350 0.003 0.000 0.199 310 E C 1.210 177.799 176.600 -0.018 0.000 1.023 310 E CA 1.166 57.558 56.400 -0.014 0.000 0.859 310 E CB -0.066 29.627 29.700 -0.011 0.000 0.780 310 E HN 0.609 nan 8.360 nan 0.000 0.523 311 K N -0.520 119.868 120.400 -0.019 0.000 2.469 311 K HA 0.443 4.764 4.320 0.003 0.000 0.204 311 K C 0.204 176.788 176.600 -0.027 0.000 1.047 311 K CA -0.268 56.006 56.287 -0.022 0.000 1.072 311 K CB 0.904 33.393 32.500 -0.018 0.000 0.863 311 K HN -0.059 nan 8.250 nan 0.000 0.530 312 A N 1.606 124.408 122.820 -0.030 0.000 2.466 312 A HA 0.318 4.639 4.320 0.003 0.000 0.238 312 A C 0.391 177.941 177.584 -0.056 0.000 1.074 312 A CA 0.388 52.402 52.037 -0.038 0.000 0.774 312 A CB 0.149 19.129 19.000 -0.034 0.000 1.015 312 A HN 0.553 nan 8.150 nan 0.000 0.498 313 T N -1.355 113.158 114.554 -0.067 0.000 2.864 313 T HA 0.530 4.882 4.350 0.003 0.000 0.289 313 T C 0.713 175.328 174.700 -0.142 0.000 1.082 313 T CA -0.707 61.339 62.100 -0.089 0.000 1.009 313 T CB 0.611 69.443 68.868 -0.061 0.000 1.234 313 T HN 0.371 nan 8.240 nan 0.000 0.526 314 L N 0.074 121.189 121.223 -0.181 0.000 2.549 314 L HA 0.073 4.414 4.340 0.003 0.000 0.229 314 L C 2.539 179.342 176.870 -0.112 0.000 1.158 314 L CA 1.142 55.822 54.840 -0.265 0.000 0.842 314 L CB -0.437 41.474 42.059 -0.246 0.000 0.952 314 L HN 0.836 nan 8.230 nan 0.000 0.452 315 E N -0.037 120.128 120.200 -0.057 0.000 2.166 315 E HA -0.134 4.218 4.350 0.003 0.000 0.192 315 E C 1.498 178.097 176.600 -0.001 0.000 0.967 315 E CA 0.305 56.699 56.400 -0.009 0.000 0.840 315 E CB 0.343 30.038 29.700 -0.009 0.000 0.795 315 E HN 0.408 nan 8.360 nan 0.000 0.470 316 D N 0.789 121.176 120.400 -0.020 0.000 2.097 316 D HA -0.117 4.525 4.640 0.003 0.000 0.195 316 D C 0.595 176.902 176.300 0.012 0.000 0.989 316 D CA 0.634 54.629 54.000 -0.009 0.000 0.827 316 D CB -0.077 40.709 40.800 -0.023 0.000 0.966 316 D HN 0.194 nan 8.370 nan 0.000 0.456 317 L N 1.177 122.405 121.223 0.007 0.000 2.573 317 L HA 0.022 4.364 4.340 0.003 0.000 0.290 317 L C 1.353 178.305 176.870 0.136 0.000 1.247 317 L CA -0.116 54.768 54.840 0.073 0.000 0.876 317 L CB 0.287 42.382 42.059 0.059 0.000 1.123 317 L HN -0.063 nan 8.230 nan 0.000 0.505 318 G N 2.422 111.299 108.800 0.129 0.000 2.528 318 G HA2 0.567 4.528 3.960 0.003 0.000 0.289 318 G HA3 0.567 4.528 3.960 0.003 0.000 0.289 318 G C -0.823 174.162 174.900 0.141 0.000 1.192 318 G CA -0.372 44.795 45.100 0.112 0.000 0.921 318 G HN 0.642 nan 8.290 nan 0.000 0.512 319 Q N -1.602 118.245 119.800 0.079 0.000 2.565 319 Q HA 0.656 4.997 4.340 0.003 0.000 0.294 319 Q C -0.766 175.239 176.000 0.010 0.000 1.005 319 Q CA -0.873 54.944 55.803 0.023 0.000 0.771 319 Q CB 2.541 31.259 28.738 -0.033 0.000 1.486 319 Q HN 0.877 nan 8.270 nan 0.000 0.422 320 A N 0.211 123.022 122.820 -0.016 0.000 2.568 320 A HA 0.449 4.771 4.320 0.003 0.000 0.291 320 A C -0.433 177.133 177.584 -0.031 0.000 1.159 320 A CA -0.503 51.528 52.037 -0.009 0.000 0.679 320 A CB 1.437 20.445 19.000 0.014 0.000 1.285 320 A HN 0.695 nan 8.150 nan 0.000 0.428 321 K N -0.709 119.677 120.400 -0.022 0.000 2.076 321 K HA 0.103 4.425 4.320 0.003 0.000 0.204 321 K C 0.658 177.242 176.600 -0.027 0.000 1.051 321 K CA 1.097 57.367 56.287 -0.029 0.000 0.949 321 K CB 0.088 32.576 32.500 -0.021 0.000 0.726 321 K HN 0.534 nan 8.250 nan 0.000 0.443 322 R N -0.081 120.408 120.500 -0.018 0.000 2.626 322 R HA 0.341 4.683 4.340 0.003 0.000 0.274 322 R C -1.980 174.314 176.300 -0.011 0.000 1.031 322 R CA -0.671 55.418 56.100 -0.018 0.000 0.898 322 R CB 2.312 32.600 30.300 -0.021 0.000 1.222 322 R HN -0.082 nan 8.270 nan 0.000 0.455 323 V N 3.510 123.418 119.914 -0.011 0.000 2.709 323 V HA 0.564 4.686 4.120 0.003 0.000 0.308 323 V C -0.880 175.194 176.094 -0.033 0.000 1.062 323 V CA -0.767 61.528 62.300 -0.008 0.000 0.901 323 V CB 2.129 33.967 31.823 0.026 0.000 1.003 323 V HN 0.478 nan 8.190 nan 0.000 0.425 324 V N 5.698 125.579 119.914 -0.055 0.000 2.577 324 V HA 0.573 4.694 4.120 0.003 0.000 0.303 324 V C -0.626 175.417 176.094 -0.086 0.000 1.042 324 V CA -0.363 61.895 62.300 -0.070 0.000 0.872 324 V CB 1.933 33.716 31.823 -0.066 0.000 0.998 324 V HN 0.724 nan 8.190 nan 0.000 0.423 325 I N 5.078 125.608 120.570 -0.066 0.000 2.418 325 I HA 0.460 4.631 4.170 0.003 0.000 0.287 325 I C 0.026 176.157 176.117 0.023 0.000 1.008 325 I CA -0.381 60.896 61.300 -0.038 0.000 1.104 325 I CB 1.858 39.869 38.000 0.018 0.000 1.264 325 I HN 0.859 nan 8.210 nan 0.000 0.438 326 N N 5.096 123.780 118.700 -0.026 0.000 2.823 326 N HA 0.313 5.055 4.740 0.003 0.000 0.324 326 N C 0.734 176.083 175.510 -0.268 0.000 1.336 326 N CA -0.812 52.236 53.050 -0.004 0.000 0.861 326 N CB 0.530 38.989 38.487 -0.048 0.000 1.157 326 N HN 0.410 nan 8.380 nan 0.000 0.585 327 K N -1.412 118.747 120.400 -0.403 0.000 2.147 327 K HA -0.084 4.238 4.320 0.003 0.000 0.205 327 K C -0.112 176.166 176.600 -0.536 0.000 1.049 327 K CA 1.639 57.420 56.287 -0.844 0.000 0.936 327 K CB -0.043 32.243 32.500 -0.355 0.000 0.722 327 K HN 0.553 nan 8.250 nan 0.000 0.446 328 D N -0.927 119.297 120.400 -0.292 0.000 2.415 328 D HA 0.006 4.647 4.640 0.003 0.000 0.269 328 D C 0.296 176.513 176.300 -0.139 0.000 1.099 328 D CA 0.482 54.377 54.000 -0.176 0.000 0.865 328 D CB 1.134 41.864 40.800 -0.116 0.000 1.359 328 D HN 0.291 nan 8.370 nan 0.000 0.506 329 T N -1.295 113.158 114.554 -0.168 0.000 2.887 329 T HA 0.625 4.977 4.350 0.003 0.000 0.292 329 T C -0.584 173.940 174.700 -0.292 0.000 1.087 329 T CA -0.484 61.487 62.100 -0.215 0.000 1.009 329 T CB 2.611 71.368 68.868 -0.184 0.000 1.203 329 T HN -0.281 nan 8.240 nan 0.000 0.518 330 T N 1.734 115.968 114.554 -0.533 0.000 2.879 330 T HA 0.596 4.947 4.350 0.003 0.000 0.290 330 T C -0.721 173.605 174.700 -0.624 0.000 0.993 330 T CA -0.553 61.205 62.100 -0.571 0.000 0.975 330 T CB 1.651 70.113 68.868 -0.677 0.000 0.981 330 T HN 0.813 nan 8.240 nan 0.000 0.439 331 T N 3.854 118.221 114.554 -0.311 0.000 2.795 331 T HA 0.593 4.944 4.350 0.003 0.000 0.282 331 T C 0.041 174.681 174.700 -0.099 0.000 0.980 331 T CA -0.506 61.481 62.100 -0.188 0.000 1.012 331 T CB 0.501 69.299 68.868 -0.117 0.000 0.936 331 T HN 0.416 nan 8.240 nan 0.000 0.457 332 I N 3.825 124.380 120.570 -0.025 0.000 2.378 332 I HA 0.449 4.620 4.170 0.003 0.000 0.291 332 I C -0.374 175.753 176.117 0.017 0.000 0.992 332 I CA -0.779 60.540 61.300 0.032 0.000 1.154 332 I CB 1.367 39.434 38.000 0.111 0.000 1.315 332 I HN 0.446 nan 8.210 nan 0.000 0.448 333 I N 5.361 125.935 120.570 0.006 0.000 2.355 333 I HA 0.211 4.382 4.170 0.003 0.000 0.288 333 I C -0.473 175.645 176.117 0.002 0.000 0.999 333 I CA -0.431 60.869 61.300 -0.001 0.000 1.163 333 I CB 1.289 39.282 38.000 -0.011 0.000 1.316 333 I HN 0.644 nan 8.210 nan 0.000 0.454 334 D N 5.202 125.605 120.400 0.005 0.000 3.278 334 D HA -0.123 4.518 4.640 0.003 0.000 0.233 334 D C 0.438 176.742 176.300 0.006 0.000 1.149 334 D CA 0.921 54.923 54.000 0.003 0.000 0.957 334 D CB -0.115 40.683 40.800 -0.003 0.000 0.913 334 D HN 0.814 nan 8.370 nan 0.000 0.409 335 G N 0.887 109.696 108.800 0.015 0.000 2.554 335 G HA2 0.282 4.243 3.960 0.003 0.000 0.238 335 G HA3 0.282 4.243 3.960 0.003 0.000 0.238 335 G C 1.297 176.204 174.900 0.011 0.000 1.259 335 G CA -0.223 44.888 45.100 0.019 0.000 0.843 335 G HN 0.495 nan 8.290 nan 0.000 0.582 336 V N 1.972 121.894 119.914 0.012 0.000 3.541 336 V HA 0.132 4.254 4.120 0.003 0.000 0.267 336 V C 1.981 178.084 176.094 0.015 0.000 1.213 336 V CA 0.800 63.106 62.300 0.010 0.000 1.149 336 V CB -0.614 31.214 31.823 0.008 0.000 0.822 336 V HN 0.828 nan 8.190 nan 0.000 0.462 337 G N 0.482 109.292 108.800 0.017 0.000 2.594 337 G HA2 0.236 4.197 3.960 0.003 0.000 0.243 337 G HA3 0.236 4.197 3.960 0.003 0.000 0.243 337 G C -0.397 174.509 174.900 0.011 0.000 1.229 337 G CA -0.361 44.748 45.100 0.015 0.000 0.843 337 G HN 0.467 nan 8.290 nan 0.000 0.578 338 E N 0.471 120.676 120.200 0.009 0.000 2.220 338 E HA 0.130 4.481 4.350 0.003 0.000 0.272 338 E C 1.060 177.663 176.600 0.005 0.000 1.099 338 E CA -0.115 56.289 56.400 0.007 0.000 0.907 338 E CB 1.418 31.122 29.700 0.006 0.000 1.022 338 E HN 0.662 nan 8.360 nan 0.000 0.428 339 E N 4.261 124.464 120.200 0.005 0.000 2.108 339 E HA -0.341 4.010 4.350 0.003 0.000 0.203 339 E C 1.642 178.244 176.600 0.003 0.000 1.022 339 E CA 2.269 58.671 56.400 0.004 0.000 0.823 339 E CB -0.196 29.506 29.700 0.003 0.000 0.744 339 E HN 0.583 nan 8.360 nan 0.000 0.456 340 A N 0.293 123.115 122.820 0.003 0.000 1.969 340 A HA 0.066 4.388 4.320 0.003 0.000 0.218 340 A C 2.410 179.994 177.584 0.001 0.000 1.169 340 A CA 2.026 54.064 52.037 0.002 0.000 0.635 340 A CB -0.839 18.162 19.000 0.002 0.000 0.810 340 A HN 0.434 nan 8.150 nan 0.000 0.445 341 A N -0.244 122.576 122.820 0.001 0.000 1.968 341 A HA 0.068 4.389 4.320 0.003 0.000 0.217 341 A C 2.046 179.629 177.584 -0.001 0.000 1.169 341 A CA 1.179 53.216 52.037 -0.000 0.000 0.638 341 A CB -0.488 18.512 19.000 0.000 0.000 0.812 341 A HN 0.475 nan 8.150 nan 0.000 0.446 342 I N -0.470 120.101 120.570 0.001 0.000 2.202 342 I HA -0.303 3.868 4.170 0.003 0.000 0.242 342 I C 2.763 178.880 176.117 0.000 0.000 1.091 342 I CA 1.395 62.695 61.300 0.001 0.000 1.368 342 I CB -0.415 37.587 38.000 0.004 0.000 1.058 342 I HN 0.406 nan 8.210 nan 0.000 0.410 343 Q N 0.507 120.307 119.800 0.001 0.000 2.084 343 Q HA -0.163 4.178 4.340 0.003 0.000 0.202 343 Q C 2.379 178.379 176.000 -0.001 0.000 0.978 343 Q CA 1.645 57.448 55.803 0.000 0.000 0.844 343 Q CB -0.460 28.278 28.738 0.001 0.000 0.898 343 Q HN 0.663 nan 8.270 nan 0.000 0.426 344 G N 1.032 109.831 108.800 -0.002 0.000 2.442 344 G HA2 -0.271 3.690 3.960 0.003 0.000 0.219 344 G HA3 -0.271 3.690 3.960 0.003 0.000 0.219 344 G C 1.551 176.448 174.900 -0.005 0.000 1.141 344 G CA 0.337 45.435 45.100 -0.003 0.000 0.763 344 G HN 0.081 nan 8.290 nan 0.000 0.554 345 R N 0.324 120.821 120.500 -0.006 0.000 2.066 345 R HA -0.002 4.340 4.340 0.003 0.000 0.232 345 R C 2.765 179.060 176.300 -0.009 0.000 1.131 345 R CA 1.091 57.185 56.100 -0.009 0.000 0.955 345 R CB -0.987 29.307 30.300 -0.009 0.000 0.851 345 R HN 0.295 nan 8.270 nan 0.000 0.432 346 V N 1.202 121.113 119.914 -0.005 0.000 2.287 346 V HA -0.265 3.856 4.120 0.003 0.000 0.248 346 V C 2.566 178.657 176.094 -0.005 0.000 1.053 346 V CA 2.023 64.320 62.300 -0.004 0.000 1.027 346 V CB -0.941 30.881 31.823 -0.001 0.000 0.646 346 V HN 0.416 nan 8.190 nan 0.000 0.447 347 A N -1.182 121.635 122.820 -0.004 0.000 1.902 347 A HA -0.301 4.021 4.320 0.003 0.000 0.217 347 A C 2.259 179.839 177.584 -0.006 0.000 1.181 347 A CA 2.081 54.115 52.037 -0.004 0.000 0.623 347 A CB -0.542 18.456 19.000 -0.003 0.000 0.818 347 A HN 0.591 nan 8.150 nan 0.000 0.443 348 Q N -0.466 119.330 119.800 -0.008 0.000 2.079 348 Q HA -0.126 4.215 4.340 0.003 0.000 0.200 348 Q C 1.969 177.961 176.000 -0.013 0.000 0.974 348 Q CA 1.528 57.325 55.803 -0.010 0.000 0.840 348 Q CB -0.219 28.512 28.738 -0.012 0.000 0.898 348 Q HN 0.740 nan 8.270 nan 0.000 0.430 349 I N 0.151 120.712 120.570 -0.014 0.000 2.361 349 I HA -0.277 3.895 4.170 0.003 0.000 0.251 349 I C 2.531 178.640 176.117 -0.014 0.000 1.133 349 I CA 0.944 62.233 61.300 -0.017 0.000 1.413 349 I CB -0.269 37.720 38.000 -0.019 0.000 1.073 349 I HN 0.147 nan 8.210 nan 0.000 0.424 350 R N 0.585 121.079 120.500 -0.009 0.000 2.193 350 R HA -0.203 4.138 4.340 0.003 0.000 0.229 350 R C 2.356 178.652 176.300 -0.007 0.000 1.110 350 R CA 1.081 57.178 56.100 -0.006 0.000 0.988 350 R CB -0.105 30.193 30.300 -0.003 0.000 0.871 350 R HN 0.437 nan 8.270 nan 0.000 0.458 351 Q N 0.625 120.420 119.800 -0.008 0.000 2.062 351 Q HA -0.183 4.159 4.340 0.003 0.000 0.196 351 Q C 1.550 177.542 176.000 -0.012 0.000 0.967 351 Q CA 1.533 57.330 55.803 -0.009 0.000 0.832 351 Q CB -0.012 28.721 28.738 -0.009 0.000 0.899 351 Q HN 0.392 nan 8.270 nan 0.000 0.442 352 Q N 0.329 120.119 119.800 -0.017 0.000 2.291 352 Q HA -0.052 4.290 4.340 0.003 0.000 0.206 352 Q C 2.155 178.140 176.000 -0.025 0.000 0.976 352 Q CA 1.275 57.064 55.803 -0.023 0.000 0.875 352 Q CB -0.033 28.687 28.738 -0.029 0.000 0.927 352 Q HN 0.442 nan 8.270 nan 0.000 0.450 353 I N 0.438 120.996 120.570 -0.020 0.000 2.163 353 I HA -0.235 3.937 4.170 0.003 0.000 0.240 353 I C 1.941 178.051 176.117 -0.011 0.000 1.081 353 I CA 1.060 62.350 61.300 -0.017 0.000 1.353 353 I CB -0.062 37.932 38.000 -0.010 0.000 1.054 353 I HN 0.182 nan 8.210 nan 0.000 0.407 354 E N 0.637 120.832 120.200 -0.007 0.000 2.385 354 E HA -0.150 4.201 4.350 0.003 0.000 0.194 354 E C 1.666 178.263 176.600 -0.004 0.000 1.013 354 E CA 0.531 56.930 56.400 -0.003 0.000 0.866 354 E CB -0.050 29.650 29.700 0.000 0.000 0.832 354 E HN 0.657 nan 8.360 nan 0.000 0.500 355 E N 0.983 121.179 120.200 -0.008 0.000 2.502 355 E HA 0.141 4.493 4.350 0.003 0.000 0.194 355 E C 0.459 177.052 176.600 -0.011 0.000 1.062 355 E CA -0.023 56.372 56.400 -0.008 0.000 0.867 355 E CB 0.131 29.825 29.700 -0.010 0.000 0.888 355 E HN -0.045 nan 8.360 nan 0.000 0.510 356 A N 1.661 124.473 122.820 -0.014 0.000 2.477 356 A HA 0.110 4.431 4.320 0.003 0.000 0.246 356 A C 1.169 178.749 177.584 -0.006 0.000 1.078 356 A CA 0.365 52.392 52.037 -0.017 0.000 0.770 356 A CB 0.367 19.353 19.000 -0.025 0.000 1.011 356 A HN 0.353 nan 8.150 nan 0.000 0.494 357 T N -0.865 113.686 114.554 -0.004 0.000 3.107 357 T HA 0.329 4.680 4.350 0.003 0.000 0.249 357 T C 0.567 175.275 174.700 0.012 0.000 1.096 357 T CA 0.561 62.663 62.100 0.004 0.000 1.012 357 T CB -0.670 68.201 68.868 0.004 0.000 0.977 357 T HN 1.448 nan 8.240 nan 0.000 0.527 358 S N -0.774 114.935 115.700 0.015 0.000 2.638 358 S HA 0.420 4.891 4.470 0.003 0.000 0.274 358 S C -0.309 174.314 174.600 0.038 0.000 1.157 358 S CA -0.766 57.453 58.200 0.033 0.000 0.826 358 S CB 1.487 64.718 63.200 0.053 0.000 1.139 358 S HN -0.030 nan 8.310 nan 0.000 0.474 359 D N 0.088 120.523 120.400 0.060 0.000 2.149 359 D HA -0.055 4.587 4.640 0.003 0.000 0.201 359 D C 1.302 177.671 176.300 0.115 0.000 0.972 359 D CA 1.325 55.367 54.000 0.070 0.000 0.835 359 D CB -0.238 40.600 40.800 0.063 0.000 0.966 359 D HN 0.611 nan 8.370 nan 0.000 0.476 360 Y N 2.367 122.675 120.300 0.013 0.000 2.373 360 Y HA -0.119 4.433 4.550 0.003 0.000 0.293 360 Y C 1.655 177.571 175.900 0.028 0.000 1.129 360 Y CA 0.927 59.041 58.100 0.023 0.000 1.226 360 Y CB -0.072 38.403 38.460 0.025 0.000 1.000 360 Y HN -0.156 nan 8.280 nan 0.000 0.549 361 D N -0.135 120.193 120.400 -0.121 0.000 2.117 361 D HA -0.186 4.456 4.640 0.003 0.000 0.197 361 D C 2.214 178.433 176.300 -0.135 0.000 0.987 361 D CA 1.276 55.174 54.000 -0.169 0.000 0.829 361 D CB -0.242 40.515 40.800 -0.071 0.000 0.961 361 D HN 0.322 nan 8.370 nan 0.000 0.460 362 R N 0.959 121.422 120.500 -0.062 0.000 2.081 362 R HA -0.122 4.220 4.340 0.003 0.000 0.235 362 R C 2.087 178.363 176.300 -0.038 0.000 1.131 362 R CA 1.165 57.243 56.100 -0.036 0.000 0.960 362 R CB 0.112 30.410 30.300 -0.002 0.000 0.856 362 R HN 0.173 nan 8.270 nan 0.000 0.436 363 E N 0.707 120.892 120.200 -0.024 0.000 2.021 363 E HA -0.256 4.096 4.350 0.003 0.000 0.200 363 E C 1.427 177.986 176.600 -0.068 0.000 1.015 363 E CA 2.004 58.405 56.400 0.002 0.000 0.824 363 E CB -0.120 29.649 29.700 0.114 0.000 0.762 363 E HN 0.402 nan 8.360 nan 0.000 0.454 364 K N 0.600 120.878 120.400 -0.203 0.000 2.611 364 K HA -0.023 4.299 4.320 0.003 0.000 0.193 364 K C 1.324 177.823 176.600 -0.167 0.000 1.026 364 K CA 0.415 56.573 56.287 -0.215 0.000 1.063 364 K CB 0.389 32.676 32.500 -0.356 0.000 0.839 364 K HN 0.095 nan 8.250 nan 0.000 0.505 365 L N 1.367 122.518 121.223 -0.119 0.000 2.445 365 L HA -0.013 4.329 4.340 0.003 0.000 0.207 365 L C 2.573 179.409 176.870 -0.056 0.000 1.053 365 L CA 1.264 56.052 54.840 -0.087 0.000 0.841 365 L CB -0.576 41.439 42.059 -0.073 0.000 1.074 365 L HN 0.429 nan 8.230 nan 0.000 0.479 366 Q N -0.197 119.580 119.800 -0.038 0.000 2.291 366 Q HA -0.185 4.157 4.340 0.003 0.000 0.205 366 Q C 1.235 177.227 176.000 -0.012 0.000 0.970 366 Q CA 1.146 56.938 55.803 -0.017 0.000 0.876 366 Q CB -0.323 28.414 28.738 -0.002 0.000 0.935 366 Q HN 0.442 nan 8.270 nan 0.000 0.455 367 E N 1.127 121.317 120.200 -0.017 0.000 2.236 367 E HA -0.247 4.105 4.350 0.003 0.000 0.205 367 E C 1.965 178.561 176.600 -0.008 0.000 1.028 367 E CA 1.741 58.135 56.400 -0.010 0.000 0.827 367 E CB -0.096 29.588 29.700 -0.028 0.000 0.735 367 E HN 0.465 nan 8.360 nan 0.000 0.470 368 R N 0.093 120.582 120.500 -0.019 0.000 2.119 368 R HA -0.075 4.266 4.340 0.003 0.000 0.222 368 R C 2.653 178.950 176.300 -0.004 0.000 1.088 368 R CA 1.160 57.251 56.100 -0.016 0.000 0.984 368 R CB -0.294 29.986 30.300 -0.033 0.000 0.884 368 R HN 0.197 nan 8.270 nan 0.000 0.447 369 V N -1.494 118.418 119.914 -0.004 0.000 2.307 369 V HA -0.065 4.057 4.120 0.003 0.000 0.245 369 V C 2.261 178.358 176.094 0.006 0.000 1.045 369 V CA 1.770 64.070 62.300 -0.001 0.000 1.024 369 V CB -0.981 30.842 31.823 -0.001 0.000 0.651 369 V HN 0.217 nan 8.190 nan 0.000 0.449 370 A N 0.505 123.330 122.820 0.008 0.000 2.015 370 A HA -0.115 4.207 4.320 0.003 0.000 0.219 370 A C 2.234 179.828 177.584 0.016 0.000 1.163 370 A CA 1.769 53.812 52.037 0.010 0.000 0.646 370 A CB -0.595 18.411 19.000 0.010 0.000 0.806 370 A HN 0.670 nan 8.150 nan 0.000 0.448 371 K N -0.552 119.862 120.400 0.024 0.000 2.283 371 K HA 0.050 4.372 4.320 0.003 0.000 0.202 371 K C 1.266 177.889 176.600 0.038 0.000 1.048 371 K CA 1.001 57.313 56.287 0.041 0.000 0.948 371 K CB -0.160 32.377 32.500 0.062 0.000 0.742 371 K HN 0.489 nan 8.250 nan 0.000 0.458 372 L N -0.749 120.488 121.223 0.023 0.000 2.537 372 L HA 0.177 4.518 4.340 0.003 0.000 0.224 372 L C 1.676 178.553 176.870 0.012 0.000 1.065 372 L CA -0.116 54.735 54.840 0.018 0.000 0.860 372 L CB -0.004 42.061 42.059 0.010 0.000 1.086 372 L HN 0.064 nan 8.230 nan 0.000 0.482 373 A N 0.451 123.277 122.820 0.010 0.000 3.975 373 A HA 0.374 4.695 4.320 0.003 0.000 0.169 373 A C 1.644 179.232 177.584 0.006 0.000 1.707 373 A CA 0.617 52.658 52.037 0.007 0.000 1.474 373 A CB -1.213 17.790 19.000 0.005 0.000 1.327 373 A HN 0.187 nan 8.150 nan 0.000 0.500 374 G N -1.402 107.401 108.800 0.005 0.000 3.088 374 G HA2 0.495 4.457 3.960 0.003 0.000 0.212 374 G HA3 0.495 4.457 3.960 0.003 0.000 0.212 374 G C 0.870 175.771 174.900 0.002 0.000 1.173 374 G CA 0.897 45.998 45.100 0.003 0.000 0.779 374 G HN 2.016 nan 8.290 nan 0.000 0.540 375 G N -1.544 107.259 108.800 0.004 0.000 2.757 375 G HA2 0.028 3.989 3.960 0.003 0.000 0.638 375 G HA3 0.028 3.989 3.960 0.003 0.000 0.638 375 G C -0.849 174.052 174.900 0.002 0.000 1.344 375 G CA -0.425 44.676 45.100 0.003 0.000 0.855 375 G HN 0.835 nan 8.290 nan 0.000 0.537 376 V N 0.475 120.389 119.914 -0.001 0.000 2.531 376 V HA 0.793 4.914 4.120 0.003 0.000 0.301 376 V C 0.700 176.790 176.094 -0.006 0.000 1.034 376 V CA 0.050 62.349 62.300 -0.001 0.000 0.865 376 V CB 1.231 33.054 31.823 0.001 0.000 0.995 376 V HN 2.107 nan 8.190 nan 0.000 0.424 377 A N 4.480 127.296 122.820 -0.007 0.000 2.337 377 A HA 0.932 5.253 4.320 0.003 0.000 0.329 377 A C -0.913 176.665 177.584 -0.011 0.000 1.146 377 A CA -0.596 51.435 52.037 -0.010 0.000 0.800 377 A CB 1.730 20.724 19.000 -0.011 0.000 1.220 377 A HN 0.720 nan 8.150 nan 0.000 0.472 378 V N 3.240 123.147 119.914 -0.012 0.000 2.483 378 V HA 0.354 4.475 4.120 0.003 0.000 0.297 378 V C -0.446 175.640 176.094 -0.014 0.000 1.027 378 V CA -0.183 62.109 62.300 -0.012 0.000 0.855 378 V CB 1.438 33.255 31.823 -0.011 0.000 0.995 378 V HN 0.757 nan 8.190 nan 0.000 0.424 379 I N 4.776 125.337 120.570 -0.016 0.000 2.325 379 I HA 0.383 4.554 4.170 0.003 0.000 0.291 379 I C 0.136 176.245 176.117 -0.013 0.000 1.019 379 I CA -0.370 60.921 61.300 -0.016 0.000 1.302 379 I CB 1.055 39.042 38.000 -0.021 0.000 1.401 379 I HN 0.525 nan 8.210 nan 0.000 0.485 380 K N 6.159 126.553 120.400 -0.011 0.000 2.316 380 K HA 0.443 4.765 4.320 0.003 0.000 0.267 380 K C -0.812 175.783 176.600 -0.008 0.000 1.025 380 K CA -0.686 55.596 56.287 -0.009 0.000 0.896 380 K CB 1.884 34.379 32.500 -0.009 0.000 1.124 380 K HN 0.303 nan 8.250 nan 0.000 0.451 381 V N 2.374 122.284 119.914 -0.006 0.000 2.572 381 V HA 0.171 4.292 4.120 0.003 0.000 0.291 381 V C 0.828 176.919 176.094 -0.005 0.000 1.039 381 V CA -0.230 62.066 62.300 -0.006 0.000 1.055 381 V CB 1.101 32.922 31.823 -0.003 0.000 0.969 381 V HN 0.911 nan 8.190 nan 0.000 0.482 382 G N 3.174 111.971 108.800 -0.006 0.000 2.368 382 G HA2 0.765 4.726 3.960 0.003 0.000 0.320 382 G HA3 0.765 4.726 3.960 0.003 0.000 0.320 382 G C -0.530 174.367 174.900 -0.005 0.000 1.158 382 G CA 0.174 45.271 45.100 -0.005 0.000 0.912 382 G HN 1.255 nan 8.290 nan 0.000 0.456 383 A N 0.865 123.682 122.820 -0.004 0.000 2.597 383 A HA 0.815 5.136 4.320 0.003 0.000 0.292 383 A C 0.429 178.011 177.584 -0.004 0.000 1.057 383 A CA 0.303 52.338 52.037 -0.004 0.000 0.674 383 A CB 0.673 19.671 19.000 -0.003 0.000 1.278 383 A HN 1.720 nan 8.150 nan 0.000 0.416 384 A N 0.032 122.850 122.820 -0.004 0.000 1.881 384 A HA 0.467 4.789 4.320 0.003 0.000 0.210 384 A C 1.406 178.987 177.584 -0.004 0.000 1.239 384 A CA 2.014 54.048 52.037 -0.004 0.000 0.629 384 A CB -0.876 18.121 19.000 -0.005 0.000 0.906 384 A HN 1.951 nan 8.150 nan 0.000 0.460 385 T N -2.832 111.720 114.554 -0.004 0.000 2.847 385 T HA 0.420 4.771 4.350 0.003 0.000 0.279 385 T C 0.604 175.302 174.700 -0.003 0.000 0.984 385 T CA 0.199 62.296 62.100 -0.004 0.000 0.988 385 T CB 1.750 70.615 68.868 -0.006 0.000 1.040 385 T HN 0.335 nan 8.240 nan 0.000 0.528 386 E N -0.336 119.862 120.200 -0.003 0.000 2.170 386 E HA -0.062 4.290 4.350 0.003 0.000 0.191 386 E C 2.154 178.753 176.600 -0.001 0.000 0.981 386 E CA 0.826 57.225 56.400 -0.001 0.000 0.830 386 E CB -0.117 29.582 29.700 -0.001 0.000 0.775 386 E HN 0.620 nan 8.360 nan 0.000 0.470 387 V N -0.634 119.277 119.914 -0.005 0.000 2.407 387 V HA -0.221 3.901 4.120 0.003 0.000 0.248 387 V C 2.103 178.195 176.094 -0.003 0.000 1.055 387 V CA 2.209 64.506 62.300 -0.005 0.000 1.049 387 V CB -0.595 31.222 31.823 -0.010 0.000 0.662 387 V HN 0.219 nan 8.190 nan 0.000 0.455 388 E N -0.263 119.935 120.200 -0.003 0.000 2.107 388 E HA -0.207 4.144 4.350 0.003 0.000 0.191 388 E C 2.109 178.709 176.600 -0.000 0.000 0.982 388 E CA 1.338 57.737 56.400 -0.002 0.000 0.809 388 E CB -0.150 29.548 29.700 -0.004 0.000 0.756 388 E HN 0.564 nan 8.360 nan 0.000 0.459 389 M N 1.322 120.922 119.600 0.000 0.000 2.149 389 M HA -0.183 4.299 4.480 0.003 0.000 0.261 389 M C 1.657 177.960 176.300 0.005 0.000 1.064 389 M CA 1.760 57.061 55.300 0.002 0.000 1.102 389 M CB 0.042 32.643 32.600 0.002 0.000 1.369 389 M HN -0.085 nan 8.290 nan 0.000 0.408 390 K N -0.483 119.921 120.400 0.006 0.000 2.103 390 K HA -0.178 4.143 4.320 0.003 0.000 0.204 390 K C 1.813 178.420 176.600 0.011 0.000 1.052 390 K CA 1.572 57.865 56.287 0.011 0.000 0.945 390 K CB -0.261 32.246 32.500 0.011 0.000 0.722 390 K HN 0.545 nan 8.250 nan 0.000 0.443 391 E N 1.821 122.025 120.200 0.007 0.000 2.047 391 E HA -0.226 4.126 4.350 0.003 0.000 0.191 391 E C 1.866 178.470 176.600 0.007 0.000 0.987 391 E CA 1.521 57.925 56.400 0.007 0.000 0.799 391 E CB -0.119 29.583 29.700 0.003 0.000 0.752 391 E HN -0.028 nan 8.360 nan 0.000 0.449 392 K N 0.945 121.347 120.400 0.003 0.000 2.026 392 K HA -0.096 4.225 4.320 0.003 0.000 0.208 392 K C 2.170 178.771 176.600 0.002 0.000 1.048 392 K CA 1.984 58.272 56.287 0.001 0.000 0.929 392 K CB -0.267 32.232 32.500 -0.002 0.000 0.713 392 K HN 0.182 nan 8.250 nan 0.000 0.439 393 K N -0.447 119.956 120.400 0.005 0.000 2.103 393 K HA -0.119 4.203 4.320 0.003 0.000 0.207 393 K C 1.893 178.503 176.600 0.016 0.000 1.048 393 K CA 1.290 57.582 56.287 0.008 0.000 0.930 393 K CB -0.245 32.263 32.500 0.012 0.000 0.716 393 K HN 0.227 nan 8.250 nan 0.000 0.444 394 A N 1.470 124.304 122.820 0.023 0.000 1.858 394 A HA -0.174 4.147 4.320 0.003 0.000 0.216 394 A C 2.079 179.683 177.584 0.033 0.000 1.190 394 A CA 1.531 53.589 52.037 0.035 0.000 0.617 394 A CB -0.505 18.514 19.000 0.031 0.000 0.827 394 A HN 0.311 nan 8.150 nan 0.000 0.443 395 R N -0.720 119.791 120.500 0.018 0.000 2.096 395 R HA -0.082 4.259 4.340 0.003 0.000 0.235 395 R C 2.015 178.316 176.300 0.002 0.000 1.127 395 R CA 1.454 57.561 56.100 0.012 0.000 0.968 395 R CB -0.550 29.753 30.300 0.005 0.000 0.861 395 R HN 0.415 nan 8.270 nan 0.000 0.440 396 V N 1.143 121.052 119.914 -0.008 0.000 2.427 396 V HA -0.192 3.929 4.120 0.003 0.000 0.248 396 V C 2.130 178.189 176.094 -0.058 0.000 1.051 396 V CA 1.626 63.909 62.300 -0.028 0.000 1.048 396 V CB -0.396 31.412 31.823 -0.026 0.000 0.666 396 V HN 0.325 nan 8.190 nan 0.000 0.456 397 E N -0.071 120.101 120.200 -0.047 0.000 2.031 397 E HA -0.241 4.110 4.350 0.003 0.000 0.193 397 E C 2.041 178.585 176.600 -0.093 0.000 0.994 397 E CA 1.533 57.866 56.400 -0.112 0.000 0.800 397 E CB -0.195 29.537 29.700 0.054 0.000 0.752 397 E HN 0.556 nan 8.360 nan 0.000 0.447 398 D N 0.242 120.689 120.400 0.079 0.000 2.123 398 D HA -0.140 4.502 4.640 0.003 0.000 0.196 398 D C 1.801 178.134 176.300 0.054 0.000 0.992 398 D CA 1.233 55.313 54.000 0.133 0.000 0.833 398 D CB -0.190 40.667 40.800 0.095 0.000 0.954 398 D HN 0.147 nan 8.370 nan 0.000 0.455 399 A N 0.788 123.608 122.820 0.000 0.000 2.019 399 A HA -0.111 4.210 4.320 0.003 0.000 0.219 399 A C 2.100 179.657 177.584 -0.046 0.000 1.164 399 A CA 0.672 52.700 52.037 -0.015 0.000 0.644 399 A CB -0.424 18.564 19.000 -0.020 0.000 0.805 399 A HN 0.224 nan 8.150 nan 0.000 0.449 400 L N -0.741 120.408 121.223 -0.122 0.000 2.044 400 L HA -0.094 4.247 4.340 0.003 0.000 0.205 400 L C 2.337 179.113 176.870 -0.158 0.000 1.075 400 L CA 2.015 56.748 54.840 -0.178 0.000 0.747 400 L CB -1.290 40.601 42.059 -0.279 0.000 0.903 400 L HN 0.492 nan 8.230 nan 0.000 0.435 401 H N -0.017 119.062 119.070 0.015 0.000 2.321 401 H HA -0.055 4.502 4.556 0.003 0.000 0.300 401 H C 2.155 177.492 175.328 0.016 0.000 1.087 401 H CA 1.434 57.493 56.048 0.018 0.000 1.319 401 H CB -0.368 29.407 29.762 0.022 0.000 1.379 401 H HN 0.404 nan 8.280 nan 0.000 0.501 402 A N 0.942 123.830 122.820 0.113 0.000 1.902 402 A HA -0.176 4.146 4.320 0.003 0.000 0.217 402 A C 2.705 180.311 177.584 0.036 0.000 1.181 402 A CA 2.474 54.550 52.037 0.064 0.000 0.623 402 A CB -0.976 18.051 19.000 0.047 0.000 0.818 402 A HN 0.603 nan 8.150 nan 0.000 0.443 403 T N -2.144 112.421 114.554 0.018 0.000 2.746 403 T HA -0.156 4.196 4.350 0.003 0.000 0.267 403 T C 1.958 176.666 174.700 0.014 0.000 1.039 403 T CA 1.198 63.302 62.100 0.007 0.000 1.142 403 T CB -0.326 68.538 68.868 -0.007 0.000 0.866 403 T HN 0.318 nan 8.240 nan 0.000 0.444 404 R N 1.896 122.410 120.500 0.023 0.000 2.081 404 R HA 0.235 4.576 4.340 0.003 0.000 0.235 404 R C 2.930 179.252 176.300 0.038 0.000 1.131 404 R CA 1.435 57.555 56.100 0.033 0.000 0.960 404 R CB -1.571 28.758 30.300 0.048 0.000 0.856 404 R HN 0.598 nan 8.270 nan 0.000 0.436 405 A N 1.184 124.033 122.820 0.048 0.000 1.908 405 A HA -0.102 4.219 4.320 0.003 0.000 0.218 405 A C 2.386 179.983 177.584 0.022 0.000 1.181 405 A CA 1.982 54.042 52.037 0.038 0.000 0.627 405 A CB -0.603 18.425 19.000 0.045 0.000 0.818 405 A HN 0.345 nan 8.150 nan 0.000 0.445 406 A N -0.716 122.116 122.820 0.019 0.000 1.898 406 A HA 0.015 4.337 4.320 0.003 0.000 0.216 406 A C 2.220 179.810 177.584 0.009 0.000 1.181 406 A CA 1.699 53.743 52.037 0.011 0.000 0.620 406 A CB -0.936 18.069 19.000 0.008 0.000 0.819 406 A HN 0.392 nan 8.150 nan 0.000 0.442 407 V N 1.158 121.079 119.914 0.011 0.000 2.407 407 V HA -0.301 3.820 4.120 0.003 0.000 0.248 407 V C 2.599 178.699 176.094 0.010 0.000 1.055 407 V CA 2.456 64.762 62.300 0.009 0.000 1.049 407 V CB -0.907 30.922 31.823 0.009 0.000 0.662 407 V HN 0.933 nan 8.190 nan 0.000 0.455 408 E N 0.151 120.359 120.200 0.014 0.000 2.076 408 E HA -0.224 4.128 4.350 0.003 0.000 0.190 408 E C 2.083 178.688 176.600 0.009 0.000 0.979 408 E CA 1.551 57.959 56.400 0.013 0.000 0.807 408 E CB -0.204 29.506 29.700 0.018 0.000 0.761 408 E HN 0.683 nan 8.360 nan 0.000 0.454 409 E N 0.408 120.612 120.200 0.007 0.000 2.290 409 E HA 0.218 4.569 4.350 0.003 0.000 0.199 409 E C 0.502 177.103 176.600 0.001 0.000 0.912 409 E CA 0.601 57.003 56.400 0.003 0.000 0.924 409 E CB 0.818 30.517 29.700 -0.001 0.000 0.901 409 E HN 0.329 nan 8.360 nan 0.000 0.487 410 G N 0.036 108.837 108.800 0.002 0.000 2.331 410 G HA2 -0.007 3.955 3.960 0.003 0.000 0.479 410 G HA3 -0.007 3.955 3.960 0.003 0.000 0.479 410 G C -0.885 174.015 174.900 0.001 0.000 1.262 410 G CA -0.527 44.574 45.100 0.002 0.000 1.029 410 G HN 0.633 nan 8.290 nan 0.000 0.487 411 V N -2.375 117.539 119.914 0.000 0.000 3.001 411 V HA 0.996 5.117 4.120 0.003 0.000 0.314 411 V C 0.483 176.577 176.094 0.000 0.000 1.099 411 V CA -0.004 62.295 62.300 -0.000 0.000 0.989 411 V CB 1.197 33.020 31.823 0.000 0.000 1.040 411 V HN 2.450 nan 8.190 nan 0.000 0.434 412 V N -1.023 118.891 119.914 0.000 0.000 3.182 412 V HA 1.006 5.128 4.120 0.003 0.000 0.308 412 V C 0.407 176.503 176.094 0.004 0.000 1.240 412 V CA -0.756 61.545 62.300 0.002 0.000 1.063 412 V CB 1.282 33.106 31.823 0.001 0.000 1.076 412 V HN 2.095 nan 8.190 nan 0.000 0.446 413 A N 0.766 123.591 122.820 0.008 0.000 2.522 413 A HA 0.632 4.953 4.320 0.003 0.000 0.256 413 A C 0.787 178.376 177.584 0.008 0.000 1.086 413 A CA 0.701 52.743 52.037 0.010 0.000 0.763 413 A CB -0.729 18.282 19.000 0.019 0.000 1.024 413 A HN 1.970 nan 8.150 nan 0.000 0.502 414 G N 0.694 109.496 108.800 0.002 0.000 2.525 414 G HA2 0.538 4.500 3.960 0.003 0.000 0.287 414 G HA3 0.538 4.500 3.960 0.003 0.000 0.287 414 G C 1.100 176.001 174.900 0.002 0.000 1.350 414 G CA -0.104 44.995 45.100 -0.001 0.000 1.039 414 G HN 2.198 nan 8.290 nan 0.000 0.513 415 G N -2.105 106.696 108.800 0.000 0.000 2.203 415 G HA2 0.195 4.156 3.960 0.003 0.000 0.263 415 G HA3 0.195 4.156 3.960 0.003 0.000 0.263 415 G C 1.509 176.416 174.900 0.011 0.000 1.012 415 G CA 1.223 46.326 45.100 0.005 0.000 0.749 415 G HN 2.518 nan 8.290 nan 0.000 0.512 416 G N -2.468 106.338 108.800 0.009 0.000 2.184 416 G HA2 -0.189 3.772 3.960 0.003 0.000 0.264 416 G HA3 -0.189 3.772 3.960 0.003 0.000 0.264 416 G C 1.449 176.359 174.900 0.017 0.000 0.975 416 G CA 1.428 46.534 45.100 0.010 0.000 0.642 416 G HN 1.670 nan 8.290 nan 0.000 0.536 417 V N 0.564 120.491 119.914 0.022 0.000 2.626 417 V HA 0.118 4.240 4.120 0.003 0.000 0.252 417 V C 3.027 179.139 176.094 0.031 0.000 1.067 417 V CA 2.715 65.035 62.300 0.034 0.000 1.081 417 V CB -0.561 31.288 31.823 0.043 0.000 0.686 417 V HN 1.119 nan 8.190 nan 0.000 0.468 418 A N -0.057 122.776 122.820 0.021 0.000 1.917 418 A HA -0.217 4.105 4.320 0.003 0.000 0.219 418 A C 2.124 179.717 177.584 0.015 0.000 1.182 418 A CA 2.268 54.316 52.037 0.017 0.000 0.633 418 A CB -0.563 18.442 19.000 0.009 0.000 0.819 418 A HN 0.572 nan 8.150 nan 0.000 0.448 419 L N -0.655 120.575 121.223 0.011 0.000 1.989 419 L HA -0.219 4.122 4.340 0.003 0.000 0.211 419 L C 2.547 179.426 176.870 0.015 0.000 1.071 419 L CA 1.617 56.462 54.840 0.009 0.000 0.749 419 L CB -0.715 41.347 42.059 0.006 0.000 0.890 419 L HN 0.386 nan 8.230 nan 0.000 0.431 420 I N -0.738 119.846 120.570 0.022 0.000 2.208 420 I HA -0.279 3.892 4.170 0.003 0.000 0.245 420 I C 2.875 179.009 176.117 0.029 0.000 1.097 420 I CA 1.047 62.363 61.300 0.028 0.000 1.363 420 I CB -0.430 37.593 38.000 0.038 0.000 1.051 420 I HN 0.275 nan 8.210 nan 0.000 0.413 421 R N 0.750 121.268 120.500 0.031 0.000 2.070 421 R HA -0.120 4.222 4.340 0.003 0.000 0.233 421 R C 2.386 178.698 176.300 0.020 0.000 1.137 421 R CA 1.842 57.960 56.100 0.030 0.000 0.945 421 R CB -1.270 29.050 30.300 0.034 0.000 0.845 421 R HN 0.470 nan 8.270 nan 0.000 0.430 422 V N -1.237 118.687 119.914 0.016 0.000 2.626 422 V HA 0.004 4.125 4.120 0.003 0.000 0.252 422 V C 2.323 178.423 176.094 0.010 0.000 1.067 422 V CA 1.550 63.857 62.300 0.011 0.000 1.081 422 V CB -0.989 30.838 31.823 0.007 0.000 0.686 422 V HN 0.171 nan 8.190 nan 0.000 0.468 423 A N 1.999 124.826 122.820 0.011 0.000 1.877 423 A HA -0.184 4.138 4.320 0.003 0.000 0.216 423 A C 2.649 180.239 177.584 0.011 0.000 1.186 423 A CA 2.795 54.839 52.037 0.011 0.000 0.620 423 A CB -1.168 17.840 19.000 0.013 0.000 0.822 423 A HN 0.968 nan 8.150 nan 0.000 0.443 424 S N -0.170 115.538 115.700 0.013 0.000 2.368 424 S HA -0.214 4.257 4.470 0.003 0.000 0.225 424 S C 1.923 176.528 174.600 0.009 0.000 1.030 424 S CA 1.657 59.864 58.200 0.011 0.000 0.999 424 S CB -0.410 62.798 63.200 0.014 0.000 0.844 424 S HN 0.586 nan 8.310 nan 0.000 0.459 425 K N 0.761 121.167 120.400 0.010 0.000 2.280 425 K HA 0.113 4.435 4.320 0.003 0.000 0.202 425 K C 1.203 177.806 176.600 0.006 0.000 1.047 425 K CA 0.954 57.245 56.287 0.008 0.000 0.942 425 K CB -0.235 32.270 32.500 0.009 0.000 0.739 425 K HN 0.457 nan 8.250 nan 0.000 0.457 426 L N 0.087 121.313 121.223 0.006 0.000 2.791 426 L HA 0.204 4.546 4.340 0.003 0.000 0.239 426 L C 1.695 178.569 176.870 0.005 0.000 1.203 426 L CA -0.261 54.582 54.840 0.005 0.000 1.002 426 L CB 0.261 42.323 42.059 0.005 0.000 1.295 426 L HN 0.132 nan 8.230 nan 0.000 0.504 427 A N 0.356 123.179 122.820 0.005 0.000 1.884 427 A HA -0.254 4.067 4.320 0.003 0.000 0.219 427 A C 1.785 179.371 177.584 0.004 0.000 1.197 427 A CA 2.092 54.132 52.037 0.004 0.000 0.637 427 A CB -0.277 18.725 19.000 0.004 0.000 0.827 427 A HN 0.403 nan 8.150 nan 0.000 0.450 428 D N -0.902 119.500 120.400 0.003 0.000 2.328 428 D HA 0.124 4.766 4.640 0.003 0.000 0.226 428 D C 0.092 176.394 176.300 0.004 0.000 1.066 428 D CA -0.167 53.835 54.000 0.003 0.000 0.861 428 D CB -0.084 40.718 40.800 0.002 0.000 0.912 428 D HN 0.315 nan 8.370 nan 0.000 0.521 429 L N 2.064 123.289 121.223 0.004 0.000 2.513 429 L HA 0.044 4.385 4.340 0.003 0.000 0.272 429 L C 0.079 176.952 176.870 0.005 0.000 1.187 429 L CA 0.613 55.455 54.840 0.004 0.000 0.895 429 L CB 0.085 42.147 42.059 0.005 0.000 1.147 429 L HN -0.213 nan 8.230 nan 0.000 0.483 430 R N 3.180 123.682 120.500 0.005 0.000 2.888 430 R HA 0.713 5.055 4.340 0.003 0.000 0.264 430 R C -0.081 176.222 176.300 0.005 0.000 1.045 430 R CA -0.302 55.801 56.100 0.005 0.000 0.962 430 R CB 1.361 31.664 30.300 0.004 0.000 1.210 430 R HN 0.784 nan 8.270 nan 0.000 0.479 431 G N -0.372 108.431 108.800 0.005 0.000 2.890 431 G HA2 0.196 4.158 3.960 0.003 0.000 0.189 431 G HA3 0.196 4.158 3.960 0.003 0.000 0.189 431 G C 0.014 174.917 174.900 0.005 0.000 1.342 431 G CA -0.189 44.914 45.100 0.006 0.000 1.026 431 G HN 0.406 nan 8.290 nan 0.000 0.579 432 Q N -0.190 119.613 119.800 0.006 0.000 2.408 432 Q HA 0.153 4.494 4.340 0.003 0.000 0.205 432 Q C -0.091 175.912 176.000 0.005 0.000 0.919 432 Q CA 0.377 56.183 55.803 0.005 0.000 0.932 432 Q CB 0.221 28.962 28.738 0.006 0.000 1.058 432 Q HN 0.587 nan 8.270 nan 0.000 0.517 433 N N -1.901 116.803 118.700 0.006 0.000 3.046 433 N HA -0.011 4.731 4.740 0.003 0.000 0.243 433 N C -0.171 175.342 175.510 0.006 0.000 1.452 433 N CA -0.501 52.552 53.050 0.006 0.000 0.882 433 N CB 0.694 39.185 38.487 0.006 0.000 1.425 433 N HN -0.226 nan 8.380 nan 0.000 0.517 434 E N 0.006 120.209 120.200 0.006 0.000 2.150 434 E HA -0.083 4.269 4.350 0.003 0.000 0.193 434 E C 0.148 176.752 176.600 0.007 0.000 0.985 434 E CA 1.659 58.063 56.400 0.006 0.000 0.814 434 E CB -0.289 29.414 29.700 0.006 0.000 0.752 434 E HN 0.658 nan 8.360 nan 0.000 0.466 435 D N -0.030 120.375 120.400 0.008 0.000 2.123 435 D HA -0.200 4.442 4.640 0.003 0.000 0.196 435 D C 1.844 178.150 176.300 0.009 0.000 0.992 435 D CA 1.426 55.431 54.000 0.009 0.000 0.833 435 D CB -0.100 40.705 40.800 0.009 0.000 0.954 435 D HN 0.306 nan 8.370 nan 0.000 0.455 436 Q N -0.157 119.648 119.800 0.008 0.000 2.123 436 Q HA -0.053 4.289 4.340 0.003 0.000 0.199 436 Q C 1.699 177.703 176.000 0.008 0.000 0.966 436 Q CA 0.632 56.440 55.803 0.008 0.000 0.845 436 Q CB 0.053 28.795 28.738 0.008 0.000 0.907 436 Q HN 0.277 nan 8.270 nan 0.000 0.439 437 N N 0.206 118.910 118.700 0.007 0.000 2.120 437 N HA -0.132 4.610 4.740 0.003 0.000 0.188 437 N C 1.858 177.372 175.510 0.007 0.000 1.024 437 N CA 1.093 54.148 53.050 0.007 0.000 0.852 437 N CB -0.368 38.122 38.487 0.006 0.000 1.003 437 N HN 0.049 nan 8.380 nan 0.000 0.424 438 V N 0.958 120.877 119.914 0.008 0.000 2.343 438 V HA -0.138 3.984 4.120 0.003 0.000 0.247 438 V C 2.447 178.546 176.094 0.010 0.000 1.051 438 V CA 1.967 64.272 62.300 0.009 0.000 1.036 438 V CB -1.246 30.582 31.823 0.009 0.000 0.654 438 V HN 0.346 nan 8.190 nan 0.000 0.451 439 G N 0.111 108.917 108.800 0.010 0.000 2.446 439 G HA2 -0.249 3.712 3.960 0.003 0.000 0.217 439 G HA3 -0.249 3.712 3.960 0.003 0.000 0.217 439 G C 1.574 176.480 174.900 0.010 0.000 1.168 439 G CA 1.212 46.318 45.100 0.011 0.000 0.771 439 G HN 0.485 nan 8.290 nan 0.000 0.551 440 I N 0.192 120.767 120.570 0.009 0.000 2.163 440 I HA -0.159 4.013 4.170 0.003 0.000 0.243 440 I C 2.680 178.802 176.117 0.008 0.000 1.085 440 I CA 1.320 62.625 61.300 0.008 0.000 1.347 440 I CB -0.068 37.936 38.000 0.007 0.000 1.044 440 I HN 0.002 nan 8.210 nan 0.000 0.408 441 K N 0.239 120.644 120.400 0.008 0.000 2.296 441 K HA 0.004 4.325 4.320 0.003 0.000 0.200 441 K C 1.877 178.483 176.600 0.010 0.000 1.048 441 K CA 0.571 56.863 56.287 0.008 0.000 0.966 441 K CB -0.450 32.055 32.500 0.008 0.000 0.754 441 K HN 0.106 nan 8.250 nan 0.000 0.466 442 V N 0.777 120.698 119.914 0.010 0.000 2.295 442 V HA -0.267 3.855 4.120 0.003 0.000 0.246 442 V C 2.164 178.265 176.094 0.012 0.000 1.049 442 V CA 2.065 64.371 62.300 0.012 0.000 1.024 442 V CB -0.677 31.153 31.823 0.012 0.000 0.648 442 V HN 0.334 nan 8.190 nan 0.000 0.447 443 A N -0.308 122.519 122.820 0.012 0.000 1.877 443 A HA -0.153 4.169 4.320 0.003 0.000 0.216 443 A C 2.192 179.782 177.584 0.010 0.000 1.186 443 A CA 1.828 53.872 52.037 0.011 0.000 0.620 443 A CB -0.537 18.470 19.000 0.010 0.000 0.822 443 A HN 0.498 nan 8.150 nan 0.000 0.443 444 L N -1.201 120.027 121.223 0.009 0.000 2.056 444 L HA -0.151 4.190 4.340 0.003 0.000 0.207 444 L C 2.786 179.662 176.870 0.011 0.000 1.078 444 L CA 1.653 56.499 54.840 0.009 0.000 0.749 444 L CB -0.556 41.509 42.059 0.009 0.000 0.901 444 L HN 0.477 nan 8.230 nan 0.000 0.433 445 R N 0.751 121.258 120.500 0.011 0.000 2.105 445 R HA -0.187 4.154 4.340 0.003 0.000 0.239 445 R C 2.213 178.521 176.300 0.013 0.000 1.135 445 R CA 1.507 57.614 56.100 0.012 0.000 0.967 445 R CB -0.204 30.103 30.300 0.011 0.000 0.861 445 R HN 0.340 nan 8.270 nan 0.000 0.442 446 A N 0.442 123.270 122.820 0.013 0.000 2.121 446 A HA -0.081 4.241 4.320 0.003 0.000 0.218 446 A C 1.991 179.583 177.584 0.014 0.000 1.154 446 A CA 0.994 53.039 52.037 0.014 0.000 0.679 446 A CB -0.325 18.684 19.000 0.015 0.000 0.795 446 A HN 0.367 nan 8.150 nan 0.000 0.458 447 M N -0.665 118.943 119.600 0.013 0.000 2.549 447 M HA -0.103 4.379 4.480 0.003 0.000 0.260 447 M C 1.414 177.725 176.300 0.017 0.000 1.076 447 M CA 0.941 56.248 55.300 0.013 0.000 1.090 447 M CB -0.267 32.340 32.600 0.012 0.000 1.418 447 M HN 0.461 nan 8.290 nan 0.000 0.486 448 E N 0.432 120.643 120.200 0.019 0.000 2.358 448 E HA -0.050 4.302 4.350 0.003 0.000 0.195 448 E C 2.065 178.678 176.600 0.021 0.000 1.010 448 E CA 0.569 56.982 56.400 0.022 0.000 0.856 448 E CB 0.034 29.747 29.700 0.021 0.000 0.795 448 E HN 0.502 nan 8.360 nan 0.000 0.504 449 A N 2.206 125.037 122.820 0.018 0.000 1.908 449 A HA -0.128 4.194 4.320 0.003 0.000 0.218 449 A C -0.351 177.244 177.584 0.019 0.000 1.181 449 A CA 1.150 53.198 52.037 0.018 0.000 0.627 449 A CB -1.320 17.690 19.000 0.017 0.000 0.818 449 A HN 0.143 nan 8.150 nan 0.000 0.445 450 P HA -0.167 nan 4.420 nan 0.000 0.214 450 P C 1.852 179.165 177.300 0.022 0.000 1.163 450 P CA 0.839 63.949 63.100 0.018 0.000 0.883 450 P CB -0.155 31.554 31.700 0.015 0.000 0.788 451 L N 0.055 121.294 121.223 0.026 0.000 1.989 451 L HA -0.174 4.167 4.340 0.003 0.000 0.211 451 L C 2.194 179.084 176.870 0.033 0.000 1.071 451 L CA 2.146 57.007 54.840 0.034 0.000 0.749 451 L CB -1.049 41.035 42.059 0.041 0.000 0.890 451 L HN -0.051 nan 8.230 nan 0.000 0.431 452 R N -0.751 119.765 120.500 0.027 0.000 2.105 452 R HA -0.182 4.160 4.340 0.003 0.000 0.239 452 R C 2.148 178.461 176.300 0.021 0.000 1.135 452 R CA 1.445 57.559 56.100 0.022 0.000 0.967 452 R CB -0.131 30.181 30.300 0.019 0.000 0.861 452 R HN 0.539 nan 8.270 nan 0.000 0.442 453 Q N 0.205 120.018 119.800 0.021 0.000 2.245 453 Q HA 0.000 4.342 4.340 0.003 0.000 0.201 453 Q C 2.151 178.163 176.000 0.019 0.000 0.955 453 Q CA 0.877 56.691 55.803 0.019 0.000 0.870 453 Q CB 0.067 28.816 28.738 0.017 0.000 0.945 453 Q HN 0.414 nan 8.270 nan 0.000 0.461 454 I N -0.061 120.522 120.570 0.022 0.000 2.142 454 I HA -0.252 3.920 4.170 0.003 0.000 0.240 454 I C 2.156 178.291 176.117 0.031 0.000 1.078 454 I CA 0.991 62.304 61.300 0.023 0.000 1.343 454 I CB -0.272 37.742 38.000 0.023 0.000 1.046 454 I HN -0.049 nan 8.210 nan 0.000 0.405 455 V N 0.402 120.340 119.914 0.040 0.000 2.667 455 V HA -0.216 3.905 4.120 0.003 0.000 0.252 455 V C 2.251 178.365 176.094 0.032 0.000 1.065 455 V CA 1.178 63.507 62.300 0.048 0.000 1.083 455 V CB -0.369 31.481 31.823 0.044 0.000 0.692 455 V HN 0.342 nan 8.190 nan 0.000 0.468 456 L N 0.432 121.669 121.223 0.024 0.000 2.109 456 L HA -0.058 4.284 4.340 0.003 0.000 0.207 456 L C 2.154 179.034 176.870 0.017 0.000 1.086 456 L CA 1.772 56.623 54.840 0.018 0.000 0.760 456 L CB -0.832 41.237 42.059 0.016 0.000 0.910 456 L HN 0.299 nan 8.230 nan 0.000 0.437 457 N N -1.106 117.604 118.700 0.017 0.000 2.289 457 N HA -0.187 4.555 4.740 0.003 0.000 0.184 457 N C 1.699 177.218 175.510 0.014 0.000 1.016 457 N CA 1.632 54.689 53.050 0.013 0.000 0.872 457 N CB -0.208 38.285 38.487 0.010 0.000 0.973 457 N HN 0.439 nan 8.380 nan 0.000 0.433 458 C N -0.039 119.273 119.300 0.021 0.000 2.437 458 C HA 0.063 4.524 4.460 0.003 0.000 0.283 458 C C 1.741 176.746 174.990 0.024 0.000 1.424 458 C CA 0.554 59.587 59.018 0.025 0.000 1.782 458 C CB -1.158 26.610 27.740 0.046 0.000 1.833 458 C HN 0.650 nan 8.230 nan 0.000 0.532 459 G N 0.937 109.750 108.800 0.021 0.000 2.147 459 G HA2 -0.204 3.757 3.960 0.003 0.000 0.244 459 G HA3 -0.204 3.757 3.960 0.003 0.000 0.244 459 G C -0.291 174.621 174.900 0.020 0.000 1.005 459 G CA 0.454 45.564 45.100 0.018 0.000 0.713 459 G HN 0.634 nan 8.290 nan 0.000 0.515 460 E N -0.694 119.521 120.200 0.024 0.000 2.423 460 E HA 0.438 4.789 4.350 0.003 0.000 0.269 460 E C -0.468 176.140 176.600 0.013 0.000 0.948 460 E CA -0.990 55.424 56.400 0.023 0.000 0.802 460 E CB 1.239 30.963 29.700 0.041 0.000 1.339 460 E HN 0.280 nan 8.360 nan 0.000 0.445 461 E N 1.867 122.068 120.200 0.001 0.000 2.029 461 E HA 0.049 4.400 4.350 0.003 0.000 0.276 461 E C -1.888 174.705 176.600 -0.011 0.000 1.163 461 E CA -1.380 55.017 56.400 -0.005 0.000 0.909 461 E CB 0.617 30.312 29.700 -0.008 0.000 1.046 461 E HN 0.202 nan 8.360 nan 0.000 0.406 462 P HA -0.192 nan 4.420 nan 0.000 0.216 462 P C 1.519 178.820 177.300 0.001 0.000 1.153 462 P CA 1.126 64.228 63.100 0.003 0.000 0.844 462 P CB 0.226 31.932 31.700 0.010 0.000 0.787 463 S N -0.759 114.942 115.700 0.002 0.000 2.368 463 S HA -0.131 4.340 4.470 0.003 0.000 0.225 463 S C 2.037 176.637 174.600 -0.001 0.000 1.030 463 S CA 1.583 59.784 58.200 0.003 0.000 0.999 463 S CB -1.842 61.360 63.200 0.003 0.000 0.844 463 S HN -0.052 nan 8.310 nan 0.000 0.459 464 V N 1.816 121.725 119.914 -0.009 0.000 2.307 464 V HA -0.109 4.013 4.120 0.003 0.000 0.245 464 V C 2.660 178.741 176.094 -0.021 0.000 1.045 464 V CA 1.562 63.853 62.300 -0.014 0.000 1.024 464 V CB -0.855 30.957 31.823 -0.018 0.000 0.651 464 V HN 0.443 nan 8.190 nan 0.000 0.449 465 V N 0.418 120.300 119.914 -0.054 0.000 2.427 465 V HA -0.221 3.901 4.120 0.003 0.000 0.248 465 V C 2.721 178.817 176.094 0.004 0.000 1.051 465 V CA 1.834 64.078 62.300 -0.093 0.000 1.048 465 V CB -1.147 30.554 31.823 -0.203 0.000 0.666 465 V HN 0.545 nan 8.190 nan 0.000 0.456 466 A N 0.526 123.355 122.820 0.015 0.000 1.908 466 A HA -0.244 4.077 4.320 0.003 0.000 0.218 466 A C 2.048 179.661 177.584 0.047 0.000 1.181 466 A CA 2.221 54.281 52.037 0.039 0.000 0.627 466 A CB -0.675 18.341 19.000 0.027 0.000 0.818 466 A HN 0.574 nan 8.150 nan 0.000 0.445 467 N N -0.294 118.424 118.700 0.030 0.000 2.244 467 N HA -0.104 4.637 4.740 0.003 0.000 0.183 467 N C 1.936 177.465 175.510 0.032 0.000 1.016 467 N CA 1.990 55.054 53.050 0.023 0.000 0.866 467 N CB -0.605 37.886 38.487 0.006 0.000 0.980 467 N HN 0.732 nan 8.380 nan 0.000 0.430 468 T N -2.127 112.461 114.554 0.056 0.000 2.812 468 T HA 0.007 4.359 4.350 0.003 0.000 0.264 468 T C 2.074 176.911 174.700 0.229 0.000 1.042 468 T CA 0.796 62.945 62.100 0.083 0.000 1.140 468 T CB -0.776 68.140 68.868 0.081 0.000 0.870 468 T HN -0.113 nan 8.240 nan 0.000 0.445 469 V N 2.070 122.156 119.914 0.286 0.000 2.392 469 V HA -0.155 3.966 4.120 0.003 0.000 0.249 469 V C 2.701 178.933 176.094 0.230 0.000 1.059 469 V CA 1.865 64.364 62.300 0.332 0.000 1.051 469 V CB -0.617 31.336 31.823 0.217 0.000 0.658 469 V HN 0.532 nan 8.190 nan 0.000 0.455 470 K N -0.086 120.388 120.400 0.123 0.000 2.365 470 K HA -0.010 4.312 4.320 0.003 0.000 0.199 470 K C 2.109 178.720 176.600 0.019 0.000 1.045 470 K CA 0.965 57.292 56.287 0.065 0.000 0.962 470 K CB -0.287 32.237 32.500 0.040 0.000 0.759 470 K HN 0.571 nan 8.250 nan 0.000 0.469 471 G N 1.131 109.926 108.800 -0.008 0.000 2.411 471 G HA2 -0.044 3.918 3.960 0.003 0.000 0.213 471 G HA3 -0.044 3.918 3.960 0.003 0.000 0.213 471 G C 0.716 175.491 174.900 -0.208 0.000 1.166 471 G CA 0.327 45.370 45.100 -0.094 0.000 0.802 471 G HN 0.332 nan 8.290 nan 0.000 0.533 472 G N -0.398 108.175 108.800 -0.378 0.000 2.537 472 G HA2 0.469 4.431 3.960 0.003 0.000 0.273 472 G HA3 0.469 4.431 3.960 0.003 0.000 0.273 472 G C -1.092 173.712 174.900 -0.160 0.000 1.189 472 G CA -0.395 44.326 45.100 -0.632 0.000 0.881 472 G HN 0.127 nan 8.290 nan 0.000 0.535 473 D N -0.594 119.754 120.400 -0.087 0.000 2.269 473 D HA 0.504 5.146 4.640 0.003 0.000 0.244 473 D C 1.109 177.464 176.300 0.092 0.000 0.992 473 D CA 0.727 54.737 54.000 0.017 0.000 0.894 473 D CB 1.949 42.739 40.800 -0.016 0.000 1.248 473 D HN 0.683 nan 8.370 nan 0.000 0.468 474 G N 2.678 111.525 108.800 0.078 0.000 2.686 474 G HA2 -0.447 3.515 3.960 0.003 0.000 0.329 474 G HA3 -0.447 3.515 3.960 0.003 0.000 0.329 474 G C 1.061 176.022 174.900 0.101 0.000 1.187 474 G CA 0.961 46.106 45.100 0.075 0.000 0.965 474 G HN 0.583 nan 8.290 nan 0.000 0.549 475 N N -0.340 118.421 118.700 0.101 0.000 2.348 475 N HA 0.023 4.765 4.740 0.003 0.000 0.185 475 N C 0.970 176.562 175.510 0.137 0.000 1.019 475 N CA 0.994 54.103 53.050 0.098 0.000 0.880 475 N CB -0.107 38.429 38.487 0.082 0.000 0.965 475 N HN 0.527 nan 8.380 nan 0.000 0.437 476 Y N 0.459 120.792 120.300 0.055 0.000 2.610 476 Y HA 0.319 4.870 4.550 0.003 0.000 0.332 476 Y C 0.892 176.862 175.900 0.117 0.000 1.201 476 Y CA 0.646 58.798 58.100 0.086 0.000 1.465 476 Y CB 0.156 38.658 38.460 0.070 0.000 1.283 476 Y HN 0.028 nan 8.280 nan 0.000 0.563 477 G N 3.455 112.048 108.800 -0.344 0.000 2.490 477 G HA2 0.239 4.200 3.960 0.003 0.000 0.308 477 G HA3 0.239 4.200 3.960 0.003 0.000 0.308 477 G C -2.563 172.241 174.900 -0.159 0.000 1.286 477 G CA -0.907 44.108 45.100 -0.141 0.000 0.825 477 G HN 0.523 nan 8.290 nan 0.000 0.479 478 Y N 1.271 121.421 120.300 -0.250 0.000 2.341 478 Y HA 0.665 5.216 4.550 0.002 0.000 0.338 478 Y C -0.441 175.280 175.900 -0.298 0.000 0.965 478 Y CA -1.499 56.324 58.100 -0.462 0.000 1.108 478 Y CB 1.932 40.077 38.460 -0.525 0.000 1.180 478 Y HN 0.461 nan 8.280 nan 0.000 0.458 479 N N 4.261 122.524 118.700 -0.728 0.000 2.462 479 N HA 0.268 5.009 4.740 0.003 0.000 0.242 479 N C 0.336 175.436 175.510 -0.682 0.000 1.010 479 N CA 0.428 53.158 53.050 -0.534 0.000 0.939 479 N CB 1.523 39.795 38.487 -0.359 0.000 1.127 479 N HN 0.862 nan 8.380 nan 0.000 0.509 480 A N 3.265 125.831 122.820 -0.424 0.000 2.172 480 A HA 0.031 4.353 4.320 0.003 0.000 0.216 480 A C 1.643 179.103 177.584 -0.208 0.000 1.154 480 A CA 1.404 53.270 52.037 -0.285 0.000 0.701 480 A CB -0.253 18.676 19.000 -0.118 0.000 0.789 480 A HN 0.680 nan 8.150 nan 0.000 0.465 481 A N -0.920 121.782 122.820 -0.197 0.000 2.275 481 A HA 0.286 4.607 4.320 0.003 0.000 0.212 481 A C 1.755 179.254 177.584 -0.142 0.000 1.201 481 A CA 1.569 53.523 52.037 -0.137 0.000 0.843 481 A CB -0.349 18.587 19.000 -0.107 0.000 0.873 481 A HN 0.664 nan 8.150 nan 0.000 0.492 482 T N -5.352 109.080 114.554 -0.203 0.000 3.168 482 T HA 0.243 4.595 4.350 0.003 0.000 0.261 482 T C 0.295 174.879 174.700 -0.193 0.000 0.931 482 T CA 0.705 62.701 62.100 -0.173 0.000 0.949 482 T CB 0.027 68.796 68.868 -0.166 0.000 1.229 482 T HN 0.383 nan 8.240 nan 0.000 0.504 483 E N 1.522 121.509 120.200 -0.355 0.000 3.125 483 E HA -0.101 4.251 4.350 0.003 0.000 0.321 483 E C -0.435 175.981 176.600 -0.306 0.000 0.895 483 E CA 0.632 56.817 56.400 -0.358 0.000 1.078 483 E CB -1.697 27.972 29.700 -0.051 0.000 1.515 483 E HN 0.939 nan 8.360 nan 0.000 0.398 484 E N -0.778 119.103 120.200 -0.532 0.000 2.458 484 E HA 0.603 4.955 4.350 0.003 0.000 0.278 484 E C -1.004 175.401 176.600 -0.325 0.000 1.004 484 E CA -0.974 55.311 56.400 -0.192 0.000 0.823 484 E CB 1.100 30.793 29.700 -0.013 0.000 1.396 484 E HN 0.024 nan 8.360 nan 0.000 0.463 485 Y N -0.579 119.737 120.300 0.026 0.000 2.488 485 Y HA 0.773 5.324 4.550 0.003 0.000 0.325 485 Y C 0.880 176.695 175.900 -0.142 0.000 1.204 485 Y CA 0.520 58.568 58.100 -0.086 0.000 1.229 485 Y CB 2.237 40.654 38.460 -0.071 0.000 1.274 485 Y HN 0.895 nan 8.280 nan 0.000 0.493 486 G N 0.474 109.215 108.800 -0.098 0.000 2.336 486 G HA2 0.050 4.011 3.960 0.003 0.000 0.286 486 G HA3 0.050 4.011 3.960 0.003 0.000 0.286 486 G C -1.818 173.034 174.900 -0.080 0.000 1.269 486 G CA -1.279 43.791 45.100 -0.049 0.000 0.873 486 G HN 0.535 nan 8.290 nan 0.000 0.494 487 N N 0.990 119.687 118.700 -0.004 0.000 2.452 487 N HA 0.153 4.895 4.740 0.003 0.000 0.266 487 N C 1.880 177.376 175.510 -0.023 0.000 1.175 487 N CA -0.248 52.806 53.050 0.008 0.000 0.945 487 N CB 0.559 39.063 38.487 0.028 0.000 1.063 487 N HN 0.388 nan 8.380 nan 0.000 0.472 488 M N 3.375 122.960 119.600 -0.024 0.000 2.144 488 M HA -0.192 4.289 4.480 0.003 0.000 0.260 488 M C 1.254 177.540 176.300 -0.023 0.000 1.067 488 M CA 1.211 56.492 55.300 -0.031 0.000 1.095 488 M CB -0.658 31.935 32.600 -0.012 0.000 1.365 488 M HN 0.594 nan 8.290 nan 0.000 0.406 489 I N -0.120 120.445 120.570 -0.008 0.000 2.233 489 I HA -0.233 3.939 4.170 0.003 0.000 0.243 489 I C 1.984 178.094 176.117 -0.011 0.000 1.093 489 I CA 1.367 62.663 61.300 -0.006 0.000 1.380 489 I CB -1.534 36.468 38.000 0.003 0.000 1.067 489 I HN 0.286 nan 8.210 nan 0.000 0.413 490 D N 0.607 121.001 120.400 -0.009 0.000 2.183 490 D HA -0.086 4.556 4.640 0.003 0.000 0.203 490 D C 2.194 178.480 176.300 -0.024 0.000 0.969 490 D CA 0.907 54.900 54.000 -0.012 0.000 0.842 490 D CB 0.064 40.861 40.800 -0.005 0.000 0.957 490 D HN 0.328 nan 8.370 nan 0.000 0.484 491 M N -0.391 119.188 119.600 -0.035 0.000 2.686 491 M HA 0.021 4.502 4.480 0.003 0.000 0.246 491 M C 1.283 177.552 176.300 -0.053 0.000 1.096 491 M CA 0.764 56.031 55.300 -0.055 0.000 1.076 491 M CB 0.308 32.859 32.600 -0.081 0.000 1.504 491 M HN 0.105 nan 8.290 nan 0.000 0.524 492 G N 1.318 110.096 108.800 -0.038 0.000 2.175 492 G HA2 -0.234 3.728 3.960 0.003 0.000 0.244 492 G HA3 -0.234 3.728 3.960 0.003 0.000 0.244 492 G C 0.166 175.047 174.900 -0.031 0.000 0.982 492 G CA -0.414 44.666 45.100 -0.032 0.000 0.641 492 G HN 0.495 nan 8.290 nan 0.000 0.527 493 I N 1.880 122.429 120.570 -0.034 0.000 2.241 493 I HA 0.409 4.581 4.170 0.003 0.000 0.294 493 I C 0.403 176.510 176.117 -0.018 0.000 1.145 493 I CA -0.163 61.118 61.300 -0.031 0.000 1.261 493 I CB 0.268 38.242 38.000 -0.043 0.000 1.475 493 I HN -0.009 nan 8.210 nan 0.000 0.533 494 L N 4.907 126.122 121.223 -0.014 0.000 2.329 494 L HA 0.485 4.827 4.340 0.003 0.000 0.279 494 L C -0.560 176.306 176.870 -0.006 0.000 1.014 494 L CA -0.808 54.027 54.840 -0.007 0.000 0.814 494 L CB 1.863 43.918 42.059 -0.006 0.000 1.257 494 L HN 0.359 nan 8.230 nan 0.000 0.424 495 D N 3.426 123.824 120.400 -0.003 0.000 2.198 495 D HA 0.290 4.932 4.640 0.003 0.000 0.245 495 D C -2.394 173.905 176.300 -0.002 0.000 1.079 495 D CA -1.482 52.517 54.000 -0.002 0.000 0.854 495 D CB 1.471 42.270 40.800 -0.003 0.000 1.148 495 D HN 0.124 nan 8.370 nan 0.000 0.456 496 P HA 0.003 nan 4.420 nan 0.000 0.261 496 P C 0.768 178.065 177.300 -0.005 0.000 1.203 496 P CA 0.136 63.236 63.100 0.001 0.000 0.767 496 P CB 0.487 32.192 31.700 0.008 0.000 0.785 497 T N 3.113 117.663 114.554 -0.007 0.000 2.653 497 T HA -0.253 4.099 4.350 0.003 0.000 0.268 497 T C 1.639 176.324 174.700 -0.025 0.000 1.035 497 T CA 1.571 63.663 62.100 -0.014 0.000 1.154 497 T CB -0.365 68.496 68.868 -0.011 0.000 0.862 497 T HN 0.471 nan 8.240 nan 0.000 0.441 498 K N 0.779 121.167 120.400 -0.020 0.000 2.074 498 K HA -0.152 4.169 4.320 0.003 0.000 0.209 498 K C 2.381 178.951 176.600 -0.049 0.000 1.048 498 K CA 1.753 58.022 56.287 -0.030 0.000 0.926 498 K CB -0.316 32.178 32.500 -0.008 0.000 0.713 498 K HN 0.413 nan 8.250 nan 0.000 0.444 499 V N -2.276 117.620 119.914 -0.029 0.000 2.407 499 V HA -0.103 4.018 4.120 0.003 0.000 0.245 499 V C 1.857 177.919 176.094 -0.053 0.000 1.041 499 V CA 1.985 64.268 62.300 -0.028 0.000 1.040 499 V CB -0.739 31.087 31.823 0.004 0.000 0.671 499 V HN 0.205 nan 8.190 nan 0.000 0.455 500 T N 0.163 114.691 114.554 -0.044 0.000 2.812 500 T HA -0.049 4.302 4.350 0.003 0.000 0.264 500 T C 2.085 176.738 174.700 -0.078 0.000 1.042 500 T CA 1.541 63.613 62.100 -0.047 0.000 1.140 500 T CB -0.374 68.479 68.868 -0.025 0.000 0.870 500 T HN 0.406 nan 8.240 nan 0.000 0.445 501 R N 1.369 121.818 120.500 -0.085 0.000 2.083 501 R HA -0.064 4.278 4.340 0.003 0.000 0.237 501 R C 2.437 178.617 176.300 -0.202 0.000 1.137 501 R CA 1.795 57.830 56.100 -0.107 0.000 0.951 501 R CB -0.763 29.489 30.300 -0.079 0.000 0.851 501 R HN 0.315 nan 8.270 nan 0.000 0.434 502 S N 0.664 116.193 115.700 -0.285 0.000 2.368 502 S HA -0.066 4.406 4.470 0.003 0.000 0.224 502 S C 2.079 176.213 174.600 -0.776 0.000 1.029 502 S CA 1.083 58.897 58.200 -0.643 0.000 0.988 502 S CB -0.284 62.566 63.200 -0.583 0.000 0.838 502 S HN 0.542 nan 8.310 nan 0.000 0.462 503 A N 2.055 124.671 122.820 -0.340 0.000 1.908 503 A HA -0.063 4.259 4.320 0.003 0.000 0.218 503 A C 2.095 179.622 177.584 -0.096 0.000 1.181 503 A CA 1.212 53.167 52.037 -0.136 0.000 0.627 503 A CB -0.755 18.219 19.000 -0.043 0.000 0.818 503 A HN 0.435 nan 8.150 nan 0.000 0.445 504 L N -0.290 120.866 121.223 -0.111 0.000 2.027 504 L HA -0.197 4.145 4.340 0.003 0.000 0.206 504 L C 2.455 179.290 176.870 -0.059 0.000 1.074 504 L CA 2.337 57.140 54.840 -0.062 0.000 0.745 504 L CB -1.267 40.760 42.059 -0.054 0.000 0.898 504 L HN 0.542 nan 8.230 nan 0.000 0.433 505 Q N -1.062 118.660 119.800 -0.129 0.000 2.061 505 Q HA -0.248 4.094 4.340 0.003 0.000 0.204 505 Q C 2.108 178.146 176.000 0.064 0.000 0.984 505 Q CA 1.963 57.723 55.803 -0.071 0.000 0.846 505 Q CB -0.283 28.371 28.738 -0.141 0.000 0.902 505 Q HN 0.495 nan 8.270 nan 0.000 0.421 506 Y N 0.106 120.408 120.300 0.004 0.000 2.145 506 Y HA -0.156 4.396 4.550 0.003 0.000 0.286 506 Y C 2.419 178.320 175.900 0.003 0.000 1.145 506 Y CA 0.642 58.743 58.100 0.002 0.000 1.148 506 Y CB -1.263 37.198 38.460 0.001 0.000 0.981 506 Y HN 0.130 nan 8.280 nan 0.000 0.507 507 A N 0.328 123.241 122.820 0.154 0.000 1.865 507 A HA -0.150 4.172 4.320 0.003 0.000 0.217 507 A C 2.550 180.171 177.584 0.062 0.000 1.191 507 A CA 2.426 54.514 52.037 0.086 0.000 0.623 507 A CB -1.273 17.759 19.000 0.054 0.000 0.826 507 A HN 0.388 nan 8.150 nan 0.000 0.444 508 A N -1.132 121.718 122.820 0.051 0.000 1.930 508 A HA -0.053 4.269 4.320 0.003 0.000 0.217 508 A C 2.472 180.083 177.584 0.045 0.000 1.175 508 A CA 2.138 54.197 52.037 0.038 0.000 0.627 508 A CB -0.871 18.144 19.000 0.025 0.000 0.815 508 A HN 0.575 nan 8.150 nan 0.000 0.443 509 S N -0.593 115.146 115.700 0.064 0.000 2.338 509 S HA -0.123 4.348 4.470 0.003 0.000 0.218 509 S C 1.931 176.558 174.600 0.046 0.000 1.032 509 S CA 1.672 59.908 58.200 0.061 0.000 0.999 509 S CB -0.513 62.742 63.200 0.092 0.000 0.905 509 S HN 0.286 nan 8.310 nan 0.000 0.439 510 V N 2.304 122.249 119.914 0.051 0.000 2.343 510 V HA -0.129 3.992 4.120 0.003 0.000 0.247 510 V C 2.858 178.967 176.094 0.025 0.000 1.051 510 V CA 1.799 64.118 62.300 0.030 0.000 1.036 510 V CB -1.360 30.479 31.823 0.027 0.000 0.654 510 V HN 0.618 nan 8.190 nan 0.000 0.451 511 A N 0.540 123.378 122.820 0.031 0.000 1.877 511 A HA -0.090 4.231 4.320 0.003 0.000 0.216 511 A C 2.425 180.022 177.584 0.022 0.000 1.186 511 A CA 1.914 53.966 52.037 0.025 0.000 0.620 511 A CB -1.260 17.756 19.000 0.027 0.000 0.822 511 A HN 0.529 nan 8.150 nan 0.000 0.443 512 G N -0.512 108.302 108.800 0.024 0.000 2.448 512 G HA2 -0.079 3.882 3.960 0.003 0.000 0.219 512 G HA3 -0.079 3.882 3.960 0.003 0.000 0.219 512 G C 1.517 176.427 174.900 0.018 0.000 1.127 512 G CA 0.981 46.093 45.100 0.021 0.000 0.766 512 G HN 0.429 nan 8.290 nan 0.000 0.552 513 L N -0.494 120.739 121.223 0.017 0.000 2.049 513 L HA 0.088 4.429 4.340 0.003 0.000 0.203 513 L C 2.844 179.720 176.870 0.010 0.000 1.074 513 L CA 1.080 55.927 54.840 0.012 0.000 0.749 513 L CB -0.407 41.657 42.059 0.009 0.000 0.907 513 L HN 0.217 nan 8.230 nan 0.000 0.439 514 M N 0.835 120.442 119.600 0.011 0.000 2.149 514 M HA -0.225 4.256 4.480 0.003 0.000 0.261 514 M C 2.300 178.608 176.300 0.014 0.000 1.064 514 M CA 1.897 57.204 55.300 0.011 0.000 1.102 514 M CB -0.221 32.386 32.600 0.012 0.000 1.369 514 M HN 0.334 nan 8.290 nan 0.000 0.408 515 I N -1.700 118.879 120.570 0.016 0.000 2.700 515 I HA -0.165 4.006 4.170 0.003 0.000 0.261 515 I C 1.911 178.039 176.117 0.017 0.000 1.219 515 I CA 1.621 62.931 61.300 0.018 0.000 1.463 515 I CB -1.400 36.610 38.000 0.018 0.000 1.092 515 I HN 0.348 nan 8.210 nan 0.000 0.452 516 T N -1.604 112.960 114.554 0.015 0.000 3.113 516 T HA 0.008 4.360 4.350 0.003 0.000 0.263 516 T C 0.920 175.629 174.700 0.015 0.000 1.143 516 T CA 0.337 62.446 62.100 0.015 0.000 1.090 516 T CB -1.207 67.668 68.868 0.012 0.000 0.922 516 T HN 0.357 nan 8.240 nan 0.000 0.521 517 T N 2.980 117.542 114.554 0.014 0.000 2.793 517 T HA 0.156 4.507 4.350 0.003 0.000 0.289 517 T C 0.725 175.438 174.700 0.021 0.000 0.956 517 T CA 0.087 62.194 62.100 0.011 0.000 1.177 517 T CB 0.922 69.798 68.868 0.014 0.000 0.897 517 T HN 0.323 nan 8.240 nan 0.000 0.533 518 E N 1.104 121.316 120.200 0.021 0.000 2.490 518 E HA 0.234 4.585 4.350 0.003 0.000 0.209 518 E C -0.091 176.521 176.600 0.020 0.000 0.971 518 E CA -0.102 56.328 56.400 0.050 0.000 0.988 518 E CB 0.493 30.240 29.700 0.078 0.000 1.029 518 E HN 0.648 nan 8.360 nan 0.000 0.496 519 C N 0.053 119.302 119.300 -0.087 0.000 3.082 519 C HA 0.673 5.135 4.460 0.003 0.000 0.324 519 C C -1.562 173.325 174.990 -0.172 0.000 1.210 519 C CA -0.730 58.115 59.018 -0.289 0.000 1.366 519 C CB 0.577 27.934 27.740 -0.638 0.000 1.756 519 C HN 0.259 nan 8.230 nan 0.000 0.485 520 M N 4.733 124.257 119.600 -0.126 0.000 2.326 520 M HA 0.622 5.103 4.480 0.003 0.000 0.306 520 M C -1.047 175.290 176.300 0.062 0.000 1.054 520 M CA -0.500 54.813 55.300 0.022 0.000 0.922 520 M CB 2.029 34.747 32.600 0.196 0.000 1.632 520 M HN 0.401 nan 8.290 nan 0.000 0.436 521 V N 1.346 121.246 119.914 -0.023 0.000 2.604 521 V HA 0.833 4.954 4.120 0.003 0.000 0.305 521 V C -0.388 175.634 176.094 -0.121 0.000 1.043 521 V CA -0.478 61.800 62.300 -0.036 0.000 0.888 521 V CB 2.158 33.950 31.823 -0.052 0.000 0.995 521 V HN 0.907 nan 8.190 nan 0.000 0.429 522 T N 1.744 116.206 114.554 -0.154 0.000 2.957 522 T HA 0.296 4.648 4.350 0.003 0.000 0.336 522 T C -1.527 173.088 174.700 -0.143 0.000 1.462 522 T CA -0.653 61.314 62.100 -0.221 0.000 1.073 522 T CB 1.604 70.200 68.868 -0.453 0.000 1.319 522 T HN 0.687 nan 8.240 nan 0.000 0.485 523 D N 2.766 123.099 120.400 -0.112 0.000 2.423 523 D HA 0.211 4.853 4.640 0.003 0.000 0.238 523 D C 0.719 176.983 176.300 -0.062 0.000 1.142 523 D CA 0.063 54.022 54.000 -0.068 0.000 0.884 523 D CB 0.603 41.368 40.800 -0.057 0.000 1.199 523 D HN 0.475 nan 8.370 nan 0.000 0.438 524 L N 2.734 123.941 121.223 -0.027 0.000 2.483 524 L HA 0.101 4.442 4.340 0.003 0.000 0.275 524 L C -1.656 175.206 176.870 -0.014 0.000 1.220 524 L CA -1.218 53.617 54.840 -0.008 0.000 0.833 524 L CB -0.194 41.870 42.059 0.008 0.000 1.102 524 L HN 0.199 nan 8.230 nan 0.000 0.490 525 P HA 0.445 nan 4.420 nan 0.000 0.281 525 P C -0.694 176.608 177.300 0.002 0.000 1.252 525 P CA -0.081 63.018 63.100 -0.002 0.000 0.778 525 P CB 1.470 33.178 31.700 0.012 0.000 0.895 526 K N 0.000 120.399 120.400 -0.002 0.000 2.780 526 K HA 0.000 4.322 4.320 0.003 0.000 0.191 526 K CA 0.000 nan 56.287 nan 0.000 0.838 526 K CB 0.000 nan 32.500 nan 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543