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_F 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 0.000 177.577 177.584 -0.012 0.000 1.274 2 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 3 A N 1.538 124.355 122.820 -0.006 0.000 2.407 3 A HA 0.620 4.941 4.320 0.002 0.000 0.248 3 A C 0.086 177.668 177.584 -0.003 0.000 1.082 3 A CA 0.095 52.131 52.037 -0.001 0.000 0.785 3 A CB 0.129 19.133 19.000 0.006 0.000 1.020 3 A HN 0.622 nan 8.150 nan 0.000 0.489 4 K N 1.115 121.518 120.400 0.004 0.000 2.208 4 K HA 0.428 4.750 4.320 0.002 0.000 0.247 4 K C -0.970 175.653 176.600 0.039 0.000 0.953 4 K CA -0.704 55.586 56.287 0.004 0.000 0.837 4 K CB 1.654 34.153 32.500 -0.002 0.000 1.131 4 K HN 0.777 nan 8.250 nan 0.000 0.431 5 D N 0.742 121.180 120.400 0.063 0.000 2.277 5 D HA 0.461 5.103 4.640 0.002 0.000 0.250 5 D C -1.137 175.284 176.300 0.202 0.000 1.032 5 D CA -0.552 53.545 54.000 0.162 0.000 0.947 5 D CB 1.309 42.277 40.800 0.279 0.000 1.159 5 D HN 0.235 nan 8.370 nan 0.000 0.460 6 V N -0.854 119.192 119.914 0.221 0.000 2.668 6 V HA 0.686 4.808 4.120 0.002 0.000 0.304 6 V C -1.086 175.076 176.094 0.113 0.000 1.071 6 V CA -0.813 61.570 62.300 0.140 0.000 0.894 6 V CB 1.653 33.502 31.823 0.044 0.000 1.008 6 V HN 0.485 nan 8.190 nan 0.000 0.425 7 K N 4.092 124.507 120.400 0.025 0.000 2.498 7 K HA 0.706 5.027 4.320 0.002 0.000 0.254 7 K C -1.816 174.733 176.600 -0.084 0.000 0.933 7 K CA -0.409 55.863 56.287 -0.024 0.000 0.806 7 K CB 2.835 35.141 32.500 -0.323 0.000 1.301 7 K HN 0.611 nan 8.250 nan 0.000 0.432 8 F N 0.329 120.262 119.950 -0.028 0.000 2.483 8 F HA 0.393 4.921 4.527 0.002 0.000 0.329 8 F C 1.567 177.357 175.800 -0.017 0.000 1.064 8 F CA 0.649 58.645 58.000 -0.007 0.000 0.986 8 F CB 1.499 40.495 39.000 -0.007 0.000 1.218 8 F HN 0.858 nan 8.300 nan 0.000 0.484 9 G N 2.051 110.965 108.800 0.189 0.000 2.699 9 G HA2 -0.556 3.405 3.960 0.002 0.000 0.351 9 G HA3 -0.556 3.405 3.960 0.002 0.000 0.351 9 G C 1.309 176.249 174.900 0.066 0.000 1.191 9 G CA 1.558 46.729 45.100 0.119 0.000 0.953 9 G HN 0.819 nan 8.290 nan 0.000 0.557 10 N N 1.001 119.732 118.700 0.052 0.000 2.000 10 N HA -0.098 4.643 4.740 0.002 0.000 0.198 10 N C 1.858 177.373 175.510 0.008 0.000 1.057 10 N CA 2.730 55.794 53.050 0.024 0.000 0.858 10 N CB -0.485 38.011 38.487 0.014 0.000 1.057 10 N HN 0.584 nan 8.380 nan 0.000 0.423 11 D N -0.314 120.084 120.400 -0.003 0.000 2.149 11 D HA -0.082 4.560 4.640 0.002 0.000 0.198 11 D C 1.872 178.125 176.300 -0.079 0.000 0.990 11 D CA 1.393 55.362 54.000 -0.051 0.000 0.839 11 D CB -0.506 40.252 40.800 -0.070 0.000 0.948 11 D HN 0.497 nan 8.370 nan 0.000 0.460 12 A N 0.941 123.738 122.820 -0.039 0.000 1.841 12 A HA -0.211 4.110 4.320 0.002 0.000 0.216 12 A C 2.142 179.741 177.584 0.023 0.000 1.199 12 A CA 1.564 53.597 52.037 -0.005 0.000 0.621 12 A CB -0.566 18.447 19.000 0.022 0.000 0.835 12 A HN 0.086 nan 8.150 nan 0.000 0.445 13 R N -0.792 119.723 120.500 0.024 0.000 2.096 13 R HA -0.084 4.257 4.340 0.002 0.000 0.235 13 R C 2.058 178.371 176.300 0.021 0.000 1.127 13 R CA 1.355 57.470 56.100 0.026 0.000 0.968 13 R CB -0.608 29.707 30.300 0.025 0.000 0.861 13 R HN 0.403 nan 8.270 nan 0.000 0.440 14 V N 1.450 121.369 119.914 0.009 0.000 2.261 14 V HA -0.270 3.851 4.120 0.002 0.000 0.246 14 V C 2.365 178.466 176.094 0.012 0.000 1.047 14 V CA 1.680 63.983 62.300 0.005 0.000 1.015 14 V CB -0.351 31.468 31.823 -0.008 0.000 0.642 14 V HN 0.230 nan 8.190 nan 0.000 0.446 15 K N -0.682 119.724 120.400 0.010 0.000 2.057 15 K HA -0.116 4.206 4.320 0.002 0.000 0.206 15 K C 2.138 178.781 176.600 0.071 0.000 1.050 15 K CA 1.685 57.998 56.287 0.043 0.000 0.935 15 K CB -0.490 32.041 32.500 0.052 0.000 0.715 15 K HN 0.444 nan 8.250 nan 0.000 0.439 16 M N 0.635 120.279 119.600 0.073 0.000 2.080 16 M HA -0.227 4.255 4.480 0.002 0.000 0.260 16 M C 2.113 178.439 176.300 0.042 0.000 1.068 16 M CA 1.407 56.745 55.300 0.064 0.000 1.109 16 M CB -0.144 32.490 32.600 0.057 0.000 1.342 16 M HN 0.063 nan 8.290 nan 0.000 0.405 17 L N 0.603 121.846 121.223 0.033 0.000 2.017 17 L HA -0.205 4.137 4.340 0.002 0.000 0.208 17 L C 2.327 179.211 176.870 0.024 0.000 1.073 17 L CA 1.933 56.788 54.840 0.025 0.000 0.745 17 L CB -0.711 41.361 42.059 0.020 0.000 0.894 17 L HN 0.264 nan 8.230 nan 0.000 0.432 18 R N -0.638 119.878 120.500 0.026 0.000 2.103 18 R HA -0.148 4.193 4.340 0.002 0.000 0.242 18 R C 2.195 178.511 176.300 0.027 0.000 1.142 18 R CA 1.262 57.377 56.100 0.025 0.000 0.960 18 R CB -1.070 29.245 30.300 0.026 0.000 0.858 18 R HN 0.603 nan 8.270 nan 0.000 0.439 19 G N 0.505 109.325 108.800 0.034 0.000 2.418 19 G HA2 -0.215 3.747 3.960 0.002 0.000 0.217 19 G HA3 -0.215 3.747 3.960 0.002 0.000 0.217 19 G C 1.490 176.403 174.900 0.021 0.000 1.158 19 G CA 0.719 45.837 45.100 0.030 0.000 0.771 19 G HN 0.131 nan 8.290 nan 0.000 0.545 20 V N 1.383 121.310 119.914 0.022 0.000 2.287 20 V HA -0.252 3.869 4.120 0.002 0.000 0.248 20 V C 2.600 178.704 176.094 0.015 0.000 1.053 20 V CA 2.339 64.650 62.300 0.018 0.000 1.027 20 V CB -0.756 31.079 31.823 0.019 0.000 0.646 20 V HN 0.400 nan 8.190 nan 0.000 0.447 21 N N -0.274 118.435 118.700 0.016 0.000 2.142 21 N HA -0.140 4.601 4.740 0.002 0.000 0.186 21 N C 1.693 177.209 175.510 0.011 0.000 1.023 21 N CA 1.302 54.360 53.050 0.013 0.000 0.852 21 N CB -0.328 38.167 38.487 0.013 0.000 0.998 21 N HN 0.259 nan 8.380 nan 0.000 0.424 22 V N 1.325 121.246 119.914 0.012 0.000 2.380 22 V HA -0.197 3.924 4.120 0.002 0.000 0.251 22 V C 2.097 178.195 176.094 0.007 0.000 1.063 22 V CA 1.248 63.554 62.300 0.009 0.000 1.055 22 V CB -0.464 31.366 31.823 0.011 0.000 0.657 22 V HN 0.405 nan 8.190 nan 0.000 0.455 23 L N 0.160 121.387 121.223 0.007 0.000 2.034 23 L HA 0.019 4.360 4.340 0.002 0.000 0.203 23 L C 2.462 179.336 176.870 0.007 0.000 1.074 23 L CA 2.602 57.445 54.840 0.006 0.000 0.748 23 L CB -1.214 40.849 42.059 0.006 0.000 0.905 23 L HN 0.317 nan 8.230 nan 0.000 0.439 24 A N -0.713 122.113 122.820 0.009 0.000 1.968 24 A HA -0.180 4.141 4.320 0.002 0.000 0.217 24 A C 1.767 179.357 177.584 0.010 0.000 1.169 24 A CA 1.475 53.518 52.037 0.011 0.000 0.638 24 A CB -0.544 18.464 19.000 0.013 0.000 0.812 24 A HN 0.507 nan 8.150 nan 0.000 0.446 25 D N -0.155 120.251 120.400 0.009 0.000 2.269 25 D HA 0.118 4.759 4.640 0.002 0.000 0.208 25 D C 2.105 178.408 176.300 0.006 0.000 0.963 25 D CA 1.045 55.050 54.000 0.008 0.000 0.864 25 D CB -0.046 40.758 40.800 0.007 0.000 0.936 25 D HN 0.429 nan 8.370 nan 0.000 0.505 26 A N 0.120 122.943 122.820 0.005 0.000 1.841 26 A HA -0.126 4.195 4.320 0.002 0.000 0.214 26 A C 2.336 179.922 177.584 0.004 0.000 1.195 26 A CA 1.027 53.065 52.037 0.003 0.000 0.611 26 A CB -0.877 18.123 19.000 0.001 0.000 0.835 26 A HN 0.121 nan 8.150 nan 0.000 0.443 27 V N 0.340 120.258 119.914 0.006 0.000 2.453 27 V HA -0.305 3.817 4.120 0.002 0.000 0.252 27 V C 2.385 178.483 176.094 0.008 0.000 1.068 27 V CA 2.409 64.713 62.300 0.007 0.000 1.070 27 V CB -0.769 31.060 31.823 0.010 0.000 0.664 27 V HN 0.545 nan 8.190 nan 0.000 0.461 28 K N 0.184 120.588 120.400 0.008 0.000 2.280 28 K HA -0.102 4.219 4.320 0.002 0.000 0.202 28 K C 1.797 178.400 176.600 0.006 0.000 1.047 28 K CA 1.414 57.706 56.287 0.007 0.000 0.942 28 K CB -0.266 32.239 32.500 0.008 0.000 0.739 28 K HN 0.605 nan 8.250 nan 0.000 0.457 29 V N -0.971 118.945 119.914 0.004 0.000 3.444 29 V HA -0.051 4.070 4.120 0.002 0.000 0.271 29 V C 1.362 177.457 176.094 0.002 0.000 1.188 29 V CA 1.695 63.996 62.300 0.003 0.000 1.168 29 V CB -0.814 31.010 31.823 0.002 0.000 0.810 29 V HN 0.342 nan 8.190 nan 0.000 0.500 30 T N -3.185 111.370 114.554 0.003 0.000 2.975 30 T HA 0.330 4.682 4.350 0.002 0.000 0.261 30 T C 0.463 175.163 174.700 0.001 0.000 0.984 30 T CA -0.008 62.093 62.100 0.002 0.000 0.911 30 T CB 0.122 68.992 68.868 0.004 0.000 1.127 30 T HN 0.319 nan 8.240 nan 0.000 0.514 31 L N 2.817 124.041 121.223 0.002 0.000 2.401 31 L HA 0.648 4.989 4.340 0.002 0.000 0.283 31 L C 0.464 177.332 176.870 -0.004 0.000 1.151 31 L CA 1.067 55.907 54.840 0.001 0.000 0.942 31 L CB -0.639 41.422 42.059 0.004 0.000 1.283 31 L HN 0.648 nan 8.230 nan 0.000 0.442 32 G N 4.208 113.004 108.800 -0.007 0.000 2.361 32 G HA2 0.023 3.984 3.960 0.002 0.000 0.331 32 G HA3 0.023 3.984 3.960 0.002 0.000 0.331 32 G C -2.725 172.163 174.900 -0.019 0.000 1.324 32 G CA -0.157 44.934 45.100 -0.015 0.000 0.984 32 G HN 0.236 nan 8.290 nan 0.000 0.586 33 P HA 0.079 nan 4.420 nan 0.000 0.229 33 P C 0.997 178.280 177.300 -0.029 0.000 1.160 33 P CA 0.971 64.053 63.100 -0.031 0.000 0.777 33 P CB 0.216 31.889 31.700 -0.044 0.000 0.814 34 K N -0.362 120.021 120.400 -0.028 0.000 2.367 34 K HA 0.199 4.520 4.320 0.002 0.000 0.194 34 K C 1.277 177.869 176.600 -0.014 0.000 1.027 34 K CA -0.129 56.145 56.287 -0.022 0.000 1.075 34 K CB 0.187 32.673 32.500 -0.023 0.000 0.845 34 K HN 0.067 nan 8.250 nan 0.000 0.529 35 G N 1.359 110.152 108.800 -0.012 0.000 2.442 35 G HA2 0.107 4.069 3.960 0.002 0.000 0.249 35 G HA3 0.107 4.069 3.960 0.002 0.000 0.249 35 G C -0.119 174.778 174.900 -0.006 0.000 1.263 35 G CA -0.353 44.743 45.100 -0.007 0.000 0.846 35 G HN 0.134 nan 8.290 nan 0.000 0.555 36 R N 0.732 121.230 120.500 -0.003 0.000 2.542 36 R HA 0.360 4.701 4.340 0.002 0.000 0.227 36 R C -0.308 175.991 176.300 -0.001 0.000 1.257 36 R CA -0.685 55.413 56.100 -0.003 0.000 1.053 36 R CB 0.384 30.683 30.300 -0.002 0.000 1.463 36 R HN 0.489 nan 8.270 nan 0.000 0.550 37 N N -1.049 117.650 118.700 -0.001 0.000 2.455 37 N HA 0.366 5.107 4.740 0.002 0.000 0.278 37 N C -1.446 174.063 175.510 -0.001 0.000 1.291 37 N CA -0.599 52.451 53.050 -0.000 0.000 0.780 37 N CB 2.113 40.600 38.487 -0.000 0.000 1.520 37 N HN 0.100 nan 8.380 nan 0.000 0.486 38 V N 0.757 120.671 119.914 -0.000 0.000 2.547 38 V HA 0.528 4.649 4.120 0.002 0.000 0.299 38 V C -0.174 175.918 176.094 -0.003 0.000 1.040 38 V CA -0.755 61.544 62.300 -0.002 0.000 0.913 38 V CB 1.912 33.734 31.823 -0.001 0.000 0.992 38 V HN 0.330 nan 8.190 nan 0.000 0.449 39 V N 5.640 125.550 119.914 -0.006 0.000 2.417 39 V HA 0.481 4.602 4.120 0.002 0.000 0.291 39 V C -0.337 175.749 176.094 -0.013 0.000 1.024 39 V CA -0.466 61.829 62.300 -0.008 0.000 0.861 39 V CB 1.573 33.391 31.823 -0.008 0.000 0.985 39 V HN 0.632 nan 8.190 nan 0.000 0.436 40 L N 3.953 125.167 121.223 -0.015 0.000 2.324 40 L HA 0.500 4.841 4.340 0.002 0.000 0.274 40 L C -0.448 176.403 176.870 -0.032 0.000 1.012 40 L CA -0.423 54.403 54.840 -0.023 0.000 0.859 40 L CB 1.381 43.429 42.059 -0.017 0.000 1.224 40 L HN 0.547 nan 8.230 nan 0.000 0.429 41 D N 3.450 123.825 120.400 -0.043 0.000 2.302 41 D HA 0.323 4.964 4.640 0.002 0.000 0.248 41 D C -0.638 175.605 176.300 -0.096 0.000 1.094 41 D CA 0.046 54.013 54.000 -0.056 0.000 0.897 41 D CB 1.041 41.811 40.800 -0.050 0.000 1.200 41 D HN 0.315 nan 8.370 nan 0.000 0.429 42 K N 1.299 121.630 120.400 -0.116 0.000 2.637 42 K HA 0.167 4.489 4.320 0.002 0.000 0.248 42 K C 0.671 177.134 176.600 -0.229 0.000 0.971 42 K CA -0.429 55.734 56.287 -0.206 0.000 0.858 42 K CB 1.522 33.948 32.500 -0.124 0.000 1.170 42 K HN 0.329 nan 8.250 nan 0.000 0.443 43 S N 1.594 117.080 115.700 -0.357 0.000 2.465 43 S HA -0.142 4.330 4.470 0.002 0.000 0.241 43 S C 1.313 175.870 174.600 -0.072 0.000 1.000 43 S CA 0.900 58.962 58.200 -0.231 0.000 0.964 43 S CB -0.385 62.672 63.200 -0.239 0.000 0.763 43 S HN 0.477 nan 8.310 nan 0.000 0.512 44 F N 2.157 122.105 119.950 -0.003 0.000 2.661 44 F HA 0.424 4.952 4.527 0.002 0.000 0.298 44 F C 1.826 177.625 175.800 -0.003 0.000 1.137 44 F CA -0.480 57.519 58.000 -0.003 0.000 1.454 44 F CB -0.938 38.060 39.000 -0.004 0.000 1.103 44 F HN 0.464 nan 8.300 nan 0.000 0.577 45 G N -1.315 107.556 108.800 0.118 0.000 3.450 45 G HA2 0.604 4.565 3.960 0.002 0.000 0.147 45 G HA3 0.604 4.565 3.960 0.002 0.000 0.147 45 G C -0.994 173.922 174.900 0.026 0.000 1.269 45 G CA 0.336 45.479 45.100 0.071 0.000 1.388 45 G HN 0.385 nan 8.290 nan 0.000 0.731 46 A N -0.751 122.076 122.820 0.012 0.000 2.566 46 A HA 0.808 5.130 4.320 0.002 0.000 0.290 46 A C -3.214 174.365 177.584 -0.008 0.000 1.071 46 A CA -0.766 51.270 52.037 -0.002 0.000 0.658 46 A CB 0.546 19.549 19.000 0.006 0.000 1.285 46 A HN 0.318 nan 8.150 nan 0.000 0.427 47 P HA 0.388 nan 4.420 nan 0.000 0.269 47 P C -0.523 176.774 177.300 -0.005 0.000 1.209 47 P CA 0.421 63.513 63.100 -0.014 0.000 0.776 47 P CB 0.588 32.280 31.700 -0.014 0.000 0.876 48 T N 2.934 117.485 114.554 -0.005 0.000 2.812 48 T HA 0.501 4.853 4.350 0.002 0.000 0.282 48 T C 0.121 174.821 174.700 -0.001 0.000 0.990 48 T CA -0.327 61.773 62.100 0.001 0.000 0.960 48 T CB 0.420 69.292 68.868 0.006 0.000 0.948 48 T HN 0.074 nan 8.240 nan 0.000 0.438 49 I N 2.603 123.174 120.570 0.001 0.000 2.428 49 I HA 0.572 4.743 4.170 0.002 0.000 0.289 49 I C 0.776 176.896 176.117 0.004 0.000 1.019 49 I CA 0.109 61.410 61.300 0.001 0.000 1.351 49 I CB 1.400 39.400 38.000 0.001 0.000 1.412 49 I HN 0.545 nan 8.210 nan 0.000 0.513 50 T N 3.810 118.366 114.554 0.004 0.000 2.889 50 T HA 0.309 4.661 4.350 0.002 0.000 0.315 50 T C 0.208 174.912 174.700 0.006 0.000 1.291 50 T CA -0.683 61.420 62.100 0.007 0.000 1.028 50 T CB 1.374 70.247 68.868 0.009 0.000 1.235 50 T HN 0.743 nan 8.240 nan 0.000 0.491 51 K N 1.271 121.676 120.400 0.008 0.000 2.334 51 K HA 0.170 4.491 4.320 0.002 0.000 0.195 51 K C 0.392 176.998 176.600 0.010 0.000 1.045 51 K CA -0.016 56.275 56.287 0.008 0.000 1.004 51 K CB 0.273 32.778 32.500 0.007 0.000 0.837 51 K HN 0.633 nan 8.250 nan 0.000 0.510 52 D N -0.772 119.636 120.400 0.014 0.000 2.210 52 D HA 0.056 4.698 4.640 0.002 0.000 0.249 52 D C 0.646 176.955 176.300 0.014 0.000 1.078 52 D CA -0.123 53.887 54.000 0.017 0.000 0.875 52 D CB 1.811 42.625 40.800 0.023 0.000 1.175 52 D HN 0.271 nan 8.370 nan 0.000 0.440 53 G N 2.444 111.253 108.800 0.016 0.000 2.422 53 G HA2 -0.176 3.786 3.960 0.002 0.000 0.218 53 G HA3 -0.176 3.786 3.960 0.002 0.000 0.218 53 G C 1.383 176.290 174.900 0.012 0.000 1.140 53 G CA 0.366 45.474 45.100 0.014 0.000 0.775 53 G HN 0.443 nan 8.290 nan 0.000 0.545 54 V N 0.631 120.552 119.914 0.012 0.000 2.591 54 V HA -0.077 4.045 4.120 0.002 0.000 0.249 54 V C 2.923 179.021 176.094 0.006 0.000 1.053 54 V CA 2.366 64.670 62.300 0.006 0.000 1.068 54 V CB -0.148 31.675 31.823 0.001 0.000 0.689 54 V HN 0.347 nan 8.190 nan 0.000 0.462 55 S N -0.129 115.577 115.700 0.010 0.000 2.356 55 S HA -0.171 4.300 4.470 0.002 0.000 0.223 55 S C 1.869 176.473 174.600 0.006 0.000 1.032 55 S CA 1.703 59.910 58.200 0.011 0.000 1.005 55 S CB -0.238 62.970 63.200 0.014 0.000 0.867 55 S HN 0.473 nan 8.310 nan 0.000 0.449 56 V N 2.009 121.926 119.914 0.005 0.000 2.244 56 V HA -0.152 3.970 4.120 0.002 0.000 0.244 56 V C 2.711 178.805 176.094 -0.000 0.000 1.042 56 V CA 1.732 64.032 62.300 0.001 0.000 1.006 56 V CB -1.260 30.564 31.823 0.002 0.000 0.641 56 V HN 0.540 nan 8.190 nan 0.000 0.446 57 A N -0.209 122.612 122.820 0.001 0.000 1.933 57 A HA -0.228 4.094 4.320 0.002 0.000 0.218 57 A C 2.340 179.922 177.584 -0.003 0.000 1.175 57 A CA 1.782 53.819 52.037 -0.000 0.000 0.628 57 A CB -0.554 18.447 19.000 0.002 0.000 0.814 57 A HN 0.496 nan 8.150 nan 0.000 0.444 58 R N -0.390 120.109 120.500 -0.002 0.000 2.127 58 R HA -0.125 4.217 4.340 0.002 0.000 0.238 58 R C 1.760 178.059 176.300 -0.001 0.000 1.134 58 R CA 1.298 57.397 56.100 -0.001 0.000 0.975 58 R CB -0.213 30.089 30.300 0.003 0.000 0.865 58 R HN 0.491 nan 8.270 nan 0.000 0.447 59 E N 0.297 120.494 120.200 -0.005 0.000 2.268 59 E HA -0.092 4.260 4.350 0.002 0.000 0.195 59 E C 0.482 177.071 176.600 -0.017 0.000 0.995 59 E CA 0.633 57.025 56.400 -0.013 0.000 0.836 59 E CB 0.089 29.776 29.700 -0.021 0.000 0.763 59 E HN 0.192 nan 8.360 nan 0.000 0.491 60 I N 1.505 122.067 120.570 -0.013 0.000 2.365 60 I HA 0.221 4.392 4.170 0.002 0.000 0.291 60 I C 0.298 176.407 176.117 -0.014 0.000 1.004 60 I CA -0.211 61.081 61.300 -0.014 0.000 1.311 60 I CB 0.865 38.859 38.000 -0.009 0.000 1.401 60 I HN -0.073 nan 8.210 nan 0.000 0.491 61 E N 6.447 126.637 120.200 -0.016 0.000 2.343 61 E HA 0.434 4.785 4.350 0.002 0.000 0.286 61 E C -2.031 174.560 176.600 -0.016 0.000 0.915 61 E CA -0.596 55.794 56.400 -0.017 0.000 0.784 61 E CB 1.854 31.544 29.700 -0.017 0.000 1.251 61 E HN 0.258 nan 8.360 nan 0.000 0.407 62 L N 2.803 124.017 121.223 -0.014 0.000 2.322 62 L HA 0.352 4.694 4.340 0.002 0.000 0.269 62 L C 1.068 177.934 176.870 -0.006 0.000 1.012 62 L CA -0.334 54.502 54.840 -0.007 0.000 0.815 62 L CB 1.320 43.379 42.059 0.001 0.000 1.295 62 L HN 0.776 nan 8.230 nan 0.000 0.438 63 E N 1.024 121.224 120.200 -0.000 0.000 2.382 63 E HA -0.063 4.288 4.350 0.002 0.000 0.190 63 E C -0.733 175.876 176.600 0.016 0.000 1.125 63 E CA 0.258 56.660 56.400 0.004 0.000 0.929 63 E CB 0.218 29.920 29.700 0.004 0.000 1.053 63 E HN 0.483 nan 8.360 nan 0.000 0.475 64 D N 0.315 120.728 120.400 0.020 0.000 2.736 64 D HA 0.056 4.697 4.640 0.002 0.000 0.243 64 D C 0.693 177.011 176.300 0.031 0.000 1.304 64 D CA -0.414 53.616 54.000 0.049 0.000 0.934 64 D CB 1.124 41.964 40.800 0.068 0.000 1.382 64 D HN -0.223 nan 8.370 nan 0.000 0.571 65 K N 2.541 122.941 120.400 -0.001 0.000 2.032 65 K HA -0.089 4.232 4.320 0.002 0.000 0.209 65 K C 1.680 178.150 176.600 -0.216 0.000 1.048 65 K CA 1.280 57.468 56.287 -0.164 0.000 0.927 65 K CB -0.208 32.101 32.500 -0.318 0.000 0.712 65 K HN 0.468 nan 8.250 nan 0.000 0.441 66 F N 1.441 121.386 119.950 -0.009 0.000 2.367 66 F HA -0.018 4.509 4.527 0.001 0.000 0.298 66 F C 2.205 178.000 175.800 -0.008 0.000 1.094 66 F CA 0.754 58.748 58.000 -0.010 0.000 1.409 66 F CB -0.076 38.919 39.000 -0.008 0.000 1.064 66 F HN 0.117 nan 8.300 nan 0.000 0.528 67 E N -0.088 120.199 120.200 0.144 0.000 2.112 67 E HA -0.166 4.185 4.350 0.002 0.000 0.190 67 E C 1.728 178.346 176.600 0.031 0.000 0.979 67 E CA 0.772 57.218 56.400 0.076 0.000 0.814 67 E CB -0.239 29.499 29.700 0.063 0.000 0.762 67 E HN 0.310 nan 8.360 nan 0.000 0.460 68 N N 0.927 119.631 118.700 0.006 0.000 2.149 68 N HA -0.184 4.558 4.740 0.002 0.000 0.188 68 N C 1.773 177.265 175.510 -0.031 0.000 1.019 68 N CA 1.341 54.379 53.050 -0.020 0.000 0.857 68 N CB 0.020 38.483 38.487 -0.041 0.000 0.997 68 N HN 0.064 nan 8.380 nan 0.000 0.426 69 M N -0.736 118.837 119.600 -0.045 0.000 2.108 69 M HA -0.095 4.386 4.480 0.002 0.000 0.261 69 M C 2.208 178.502 176.300 -0.010 0.000 1.066 69 M CA 1.822 57.097 55.300 -0.042 0.000 1.107 69 M CB -0.648 31.920 32.600 -0.054 0.000 1.356 69 M HN 0.361 nan 8.290 nan 0.000 0.406 70 G N -0.275 108.532 108.800 0.012 0.000 2.404 70 G HA2 -0.120 3.841 3.960 0.002 0.000 0.215 70 G HA3 -0.120 3.841 3.960 0.002 0.000 0.215 70 G C 1.622 176.526 174.900 0.007 0.000 1.174 70 G CA 0.941 46.051 45.100 0.016 0.000 0.780 70 G HN 0.544 nan 8.290 nan 0.000 0.537 71 A N -0.069 122.754 122.820 0.005 0.000 1.908 71 A HA -0.084 4.238 4.320 0.002 0.000 0.218 71 A C 2.384 179.964 177.584 -0.006 0.000 1.181 71 A CA 1.921 53.958 52.037 0.000 0.000 0.627 71 A CB -0.349 18.651 19.000 -0.001 0.000 0.818 71 A HN 0.341 nan 8.150 nan 0.000 0.445 72 Q N -0.963 118.829 119.800 -0.013 0.000 2.123 72 Q HA -0.052 4.290 4.340 0.002 0.000 0.199 72 Q C 2.197 178.186 176.000 -0.018 0.000 0.966 72 Q CA 1.306 57.098 55.803 -0.019 0.000 0.845 72 Q CB -0.320 28.401 28.738 -0.028 0.000 0.907 72 Q HN 0.767 nan 8.270 nan 0.000 0.439 73 M N 0.275 119.867 119.600 -0.014 0.000 2.086 73 M HA -0.140 4.341 4.480 0.002 0.000 0.261 73 M C 2.235 178.531 176.300 -0.007 0.000 1.067 73 M CA 1.394 56.688 55.300 -0.011 0.000 1.116 73 M CB -0.367 32.230 32.600 -0.005 0.000 1.348 73 M HN 0.118 nan 8.290 nan 0.000 0.407 74 V N -1.999 117.915 119.914 -0.001 0.000 3.078 74 V HA -0.145 3.977 4.120 0.002 0.000 0.265 74 V C 1.834 177.927 176.094 -0.002 0.000 1.122 74 V CA 1.481 63.784 62.300 0.004 0.000 1.141 74 V CB -1.111 30.719 31.823 0.011 0.000 0.735 74 V HN 0.428 nan 8.190 nan 0.000 0.498 75 K N 0.463 120.857 120.400 -0.009 0.000 2.362 75 K HA -0.199 4.122 4.320 0.002 0.000 0.200 75 K C 2.008 178.591 176.600 -0.029 0.000 1.046 75 K CA 1.383 57.660 56.287 -0.016 0.000 0.952 75 K CB 0.037 32.527 32.500 -0.016 0.000 0.753 75 K HN 0.697 nan 8.250 nan 0.000 0.466 76 E N 0.426 120.606 120.200 -0.034 0.000 1.998 76 E HA -0.181 4.171 4.350 0.002 0.000 0.196 76 E C 1.709 178.269 176.600 -0.066 0.000 1.003 76 E CA 1.645 58.010 56.400 -0.058 0.000 0.829 76 E CB -0.587 29.081 29.700 -0.053 0.000 0.777 76 E HN 0.061 nan 8.360 nan 0.000 0.460 77 V N 0.541 120.442 119.914 -0.023 0.000 2.332 77 V HA -0.256 3.865 4.120 0.002 0.000 0.248 77 V C 2.164 178.280 176.094 0.036 0.000 1.055 77 V CA 2.651 64.967 62.300 0.027 0.000 1.038 77 V CB -0.797 31.072 31.823 0.075 0.000 0.651 77 V HN 0.480 nan 8.190 nan 0.000 0.450 78 A N -1.293 121.537 122.820 0.017 0.000 1.969 78 A HA -0.154 4.167 4.320 0.002 0.000 0.218 78 A C 2.508 180.092 177.584 0.000 0.000 1.169 78 A CA 2.176 54.224 52.037 0.017 0.000 0.635 78 A CB -0.719 18.287 19.000 0.010 0.000 0.810 78 A HN 0.603 nan 8.150 nan 0.000 0.445 79 S N -0.993 114.690 115.700 -0.029 0.000 2.387 79 S HA -0.043 4.428 4.470 0.002 0.000 0.221 79 S C 1.956 176.508 174.600 -0.080 0.000 1.041 79 S CA 0.890 59.061 58.200 -0.048 0.000 0.959 79 S CB -0.162 63.005 63.200 -0.055 0.000 0.843 79 S HN 0.402 nan 8.310 nan 0.000 0.488 80 K N 1.934 122.240 120.400 -0.158 0.000 2.209 80 K HA 0.130 4.452 4.320 0.002 0.000 0.204 80 K C 2.107 178.609 176.600 -0.163 0.000 1.048 80 K CA 1.012 57.102 56.287 -0.328 0.000 0.940 80 K CB -0.971 31.098 32.500 -0.718 0.000 0.729 80 K HN 0.426 nan 8.250 nan 0.000 0.451 81 A N 2.074 124.946 122.820 0.087 0.000 1.865 81 A HA -0.246 4.075 4.320 0.002 0.000 0.217 81 A C 2.189 179.824 177.584 0.084 0.000 1.191 81 A CA 1.973 54.139 52.037 0.213 0.000 0.623 81 A CB -0.667 18.429 19.000 0.161 0.000 0.826 81 A HN 0.462 nan 8.150 nan 0.000 0.444 82 N N -0.450 118.257 118.700 0.011 0.000 2.106 82 N HA -0.161 4.580 4.740 0.002 0.000 0.188 82 N C 0.976 176.445 175.510 -0.068 0.000 1.029 82 N CA 1.508 54.532 53.050 -0.044 0.000 0.848 82 N CB -0.273 38.186 38.487 -0.047 0.000 1.007 82 N HN 0.435 nan 8.380 nan 0.000 0.423 83 D N 0.134 120.498 120.400 -0.061 0.000 2.263 83 D HA -0.093 4.548 4.640 0.002 0.000 0.208 83 D C 1.165 177.442 176.300 -0.039 0.000 0.971 83 D CA 0.833 54.794 54.000 -0.064 0.000 0.867 83 D CB 0.149 40.898 40.800 -0.084 0.000 0.929 83 D HN 0.425 nan 8.370 nan 0.000 0.492 84 A N -0.428 122.394 122.820 0.003 0.000 2.287 84 A HA 0.561 4.882 4.320 0.002 0.000 0.214 84 A C 1.582 179.211 177.584 0.075 0.000 1.228 84 A CA 0.659 52.736 52.037 0.067 0.000 0.939 84 A CB 0.887 19.991 19.000 0.172 0.000 0.992 84 A HN 0.148 nan 8.150 nan 0.000 0.502 85 A N -2.628 120.224 122.820 0.054 0.000 2.733 85 A HA 0.488 4.809 4.320 0.002 0.000 0.232 85 A C 1.664 179.246 177.584 -0.003 0.000 1.251 85 A CA 1.099 53.160 52.037 0.041 0.000 1.015 85 A CB -0.381 18.660 19.000 0.068 0.000 1.291 85 A HN 1.878 nan 8.150 nan 0.000 0.595 86 G N 0.280 109.029 108.800 -0.085 0.000 4.754 86 G HA2 -0.354 3.607 3.960 0.002 0.000 0.222 86 G HA3 -0.354 3.607 3.960 0.002 0.000 0.222 86 G C 0.379 175.255 174.900 -0.039 0.000 1.377 86 G CA 0.849 45.834 45.100 -0.193 0.000 0.942 86 G HN 0.718 nan 8.290 nan 0.000 0.671 87 D N -0.101 120.317 120.400 0.030 0.000 2.588 87 D HA 0.535 5.176 4.640 0.002 0.000 0.268 87 D C 1.465 177.788 176.300 0.039 0.000 1.176 87 D CA 1.086 55.112 54.000 0.044 0.000 1.080 87 D CB 0.597 41.434 40.800 0.062 0.000 1.186 87 D HN 1.593 nan 8.370 nan 0.000 0.619 88 G N -0.896 107.924 108.800 0.034 0.000 2.162 88 G HA2 -0.324 3.637 3.960 0.002 0.000 0.260 88 G HA3 -0.324 3.637 3.960 0.002 0.000 0.260 88 G C 1.069 175.992 174.900 0.038 0.000 0.976 88 G CA 1.681 46.798 45.100 0.029 0.000 0.655 88 G HN 0.664 nan 8.290 nan 0.000 0.533 89 T N -2.535 112.042 114.554 0.039 0.000 2.708 89 T HA -0.127 4.224 4.350 0.002 0.000 0.266 89 T C 2.220 176.940 174.700 0.033 0.000 1.037 89 T CA 2.591 64.715 62.100 0.040 0.000 1.146 89 T CB -0.696 68.189 68.868 0.028 0.000 0.865 89 T HN 0.347 nan 8.240 nan 0.000 0.435 90 T N 1.901 116.470 114.554 0.025 0.000 2.737 90 T HA -0.074 4.278 4.350 0.002 0.000 0.265 90 T C 2.298 177.010 174.700 0.020 0.000 1.038 90 T CA 1.816 63.928 62.100 0.020 0.000 1.144 90 T CB -0.991 67.886 68.868 0.016 0.000 0.866 90 T HN 0.535 nan 8.240 nan 0.000 0.434 91 T N 2.268 116.834 114.554 0.019 0.000 2.684 91 T HA -0.103 4.248 4.350 0.002 0.000 0.267 91 T C 2.401 177.112 174.700 0.020 0.000 1.036 91 T CA 1.285 63.394 62.100 0.015 0.000 1.148 91 T CB -0.635 68.239 68.868 0.010 0.000 0.863 91 T HN 0.438 nan 8.240 nan 0.000 0.436 92 A N 1.414 124.254 122.820 0.032 0.000 1.908 92 A HA -0.146 4.176 4.320 0.002 0.000 0.218 92 A C 2.587 180.197 177.584 0.044 0.000 1.181 92 A CA 2.173 54.239 52.037 0.048 0.000 0.627 92 A CB -1.294 17.761 19.000 0.092 0.000 0.818 92 A HN 0.498 nan 8.150 nan 0.000 0.445 93 T N -0.461 114.115 114.554 0.037 0.000 2.777 93 T HA -0.099 4.252 4.350 0.002 0.000 0.266 93 T C 1.877 176.591 174.700 0.023 0.000 1.040 93 T CA 1.450 63.567 62.100 0.029 0.000 1.141 93 T CB -0.440 68.442 68.868 0.024 0.000 0.868 93 T HN 0.141 nan 8.240 nan 0.000 0.444 94 V N 1.508 121.434 119.914 0.020 0.000 2.287 94 V HA -0.136 3.986 4.120 0.002 0.000 0.248 94 V C 2.499 178.602 176.094 0.016 0.000 1.053 94 V CA 1.557 63.867 62.300 0.016 0.000 1.027 94 V CB -0.647 31.184 31.823 0.013 0.000 0.646 94 V HN 0.423 nan 8.190 nan 0.000 0.447 95 L N -0.232 121.001 121.223 0.017 0.000 2.046 95 L HA -0.152 4.189 4.340 0.002 0.000 0.208 95 L C 2.723 179.605 176.870 0.020 0.000 1.077 95 L CA 1.502 56.351 54.840 0.015 0.000 0.747 95 L CB -0.810 41.255 42.059 0.011 0.000 0.896 95 L HN 0.362 nan 8.230 nan 0.000 0.432 96 A N 0.723 123.558 122.820 0.026 0.000 1.865 96 A HA -0.306 4.016 4.320 0.002 0.000 0.217 96 A C 2.248 179.845 177.584 0.023 0.000 1.191 96 A CA 2.094 54.148 52.037 0.029 0.000 0.623 96 A CB -0.785 18.236 19.000 0.035 0.000 0.826 96 A HN 0.628 nan 8.150 nan 0.000 0.444 97 Q N -0.717 119.095 119.800 0.020 0.000 2.170 97 Q HA 0.061 4.403 4.340 0.002 0.000 0.203 97 Q C 1.944 177.953 176.000 0.016 0.000 0.976 97 Q CA 1.712 57.525 55.803 0.018 0.000 0.858 97 Q CB -0.509 28.238 28.738 0.016 0.000 0.907 97 Q HN 0.500 nan 8.270 nan 0.000 0.433 98 A N 1.382 124.212 122.820 0.015 0.000 1.898 98 A HA -0.059 4.262 4.320 0.002 0.000 0.216 98 A C 2.128 179.720 177.584 0.014 0.000 1.181 98 A CA 1.230 53.276 52.037 0.014 0.000 0.620 98 A CB -0.545 18.462 19.000 0.013 0.000 0.819 98 A HN 0.423 nan 8.150 nan 0.000 0.442 99 I N -0.377 120.202 120.570 0.015 0.000 2.252 99 I HA -0.230 3.941 4.170 0.002 0.000 0.245 99 I C 2.267 178.394 176.117 0.016 0.000 1.102 99 I CA 1.146 62.455 61.300 0.015 0.000 1.385 99 I CB -0.354 37.656 38.000 0.016 0.000 1.064 99 I HN 0.278 nan 8.210 nan 0.000 0.414 100 I N 0.463 121.044 120.570 0.018 0.000 2.163 100 I HA -0.303 3.869 4.170 0.002 0.000 0.243 100 I C 2.586 178.712 176.117 0.016 0.000 1.085 100 I CA 1.672 62.983 61.300 0.018 0.000 1.347 100 I CB -0.589 37.422 38.000 0.019 0.000 1.044 100 I HN 0.246 nan 8.210 nan 0.000 0.408 101 T N 0.108 114.671 114.554 0.015 0.000 2.674 101 T HA -0.166 4.185 4.350 0.002 0.000 0.265 101 T C 1.793 176.501 174.700 0.013 0.000 1.039 101 T CA 1.309 63.417 62.100 0.014 0.000 1.150 101 T CB -0.186 68.690 68.868 0.013 0.000 0.864 101 T HN 0.315 nan 8.240 nan 0.000 0.427 102 E N 0.469 120.676 120.200 0.012 0.000 2.216 102 E HA 0.032 4.384 4.350 0.002 0.000 0.192 102 E C 2.476 179.084 176.600 0.012 0.000 0.988 102 E CA 0.657 57.064 56.400 0.011 0.000 0.834 102 E CB -0.426 29.281 29.700 0.011 0.000 0.772 102 E HN 0.565 nan 8.360 nan 0.000 0.479 103 G N 1.368 110.176 108.800 0.013 0.000 2.394 103 G HA2 -0.177 3.785 3.960 0.002 0.000 0.214 103 G HA3 -0.177 3.785 3.960 0.002 0.000 0.214 103 G C 1.724 176.633 174.900 0.015 0.000 1.176 103 G CA 0.174 45.282 45.100 0.014 0.000 0.786 103 G HN 0.130 nan 8.290 nan 0.000 0.533 104 L N 0.463 121.696 121.223 0.016 0.000 2.083 104 L HA -0.074 4.267 4.340 0.002 0.000 0.209 104 L C 2.797 179.675 176.870 0.015 0.000 1.083 104 L CA 1.580 56.430 54.840 0.016 0.000 0.752 104 L CB -0.372 41.697 42.059 0.017 0.000 0.899 104 L HN 0.283 nan 8.230 nan 0.000 0.433 105 K N 0.805 121.212 120.400 0.013 0.000 2.020 105 K HA -0.265 4.056 4.320 0.002 0.000 0.212 105 K C 2.122 178.729 176.600 0.011 0.000 1.050 105 K CA 1.890 58.184 56.287 0.011 0.000 0.929 105 K CB -0.198 32.309 32.500 0.010 0.000 0.714 105 K HN 0.248 nan 8.250 nan 0.000 0.443 106 A N 0.750 123.577 122.820 0.012 0.000 1.902 106 A HA -0.101 4.220 4.320 0.002 0.000 0.217 106 A C 2.311 179.902 177.584 0.013 0.000 1.181 106 A CA 1.754 53.798 52.037 0.011 0.000 0.623 106 A CB -0.692 18.314 19.000 0.011 0.000 0.818 106 A HN 0.219 nan 8.150 nan 0.000 0.443 107 V N -0.277 119.646 119.914 0.015 0.000 2.407 107 V HA -0.244 3.878 4.120 0.002 0.000 0.248 107 V C 2.951 179.056 176.094 0.018 0.000 1.055 107 V CA 1.974 64.284 62.300 0.017 0.000 1.049 107 V CB -1.040 30.794 31.823 0.019 0.000 0.662 107 V HN 0.620 nan 8.190 nan 0.000 0.455 108 A N -0.429 122.401 122.820 0.016 0.000 2.016 108 A HA 0.146 4.468 4.320 0.002 0.000 0.217 108 A C 2.354 179.945 177.584 0.012 0.000 1.162 108 A CA 1.374 53.420 52.037 0.015 0.000 0.662 108 A CB -0.477 18.532 19.000 0.014 0.000 0.812 108 A HN 0.525 nan 8.150 nan 0.000 0.450 109 A N -1.606 121.220 122.820 0.010 0.000 1.969 109 A HA 0.330 4.652 4.320 0.002 0.000 0.218 109 A C 1.867 179.456 177.584 0.009 0.000 1.169 109 A CA 2.017 54.059 52.037 0.009 0.000 0.635 109 A CB -0.498 18.507 19.000 0.008 0.000 0.810 109 A HN 1.576 nan 8.150 nan 0.000 0.445 110 G N -3.451 105.356 108.800 0.011 0.000 2.977 110 G HA2 -0.019 3.943 3.960 0.002 0.000 0.211 110 G HA3 -0.019 3.943 3.960 0.002 0.000 0.211 110 G C 0.093 175.001 174.900 0.012 0.000 0.994 110 G CA -0.025 45.082 45.100 0.011 0.000 0.795 110 G HN 0.194 nan 8.290 nan 0.000 0.518 111 M N 1.708 121.315 119.600 0.012 0.000 2.252 111 M HA 0.299 4.780 4.480 0.002 0.000 0.321 111 M C 0.629 176.937 176.300 0.014 0.000 1.070 111 M CA -0.291 55.016 55.300 0.012 0.000 1.143 111 M CB 0.144 32.750 32.600 0.011 0.000 1.498 111 M HN 0.252 nan 8.290 nan 0.000 0.445 112 N N 2.916 121.624 118.700 0.013 0.000 2.438 112 N HA 0.105 4.847 4.740 0.002 0.000 0.267 112 N C -2.087 173.432 175.510 0.015 0.000 1.222 112 N CA -1.486 51.572 53.050 0.014 0.000 0.930 112 N CB 0.642 39.137 38.487 0.013 0.000 1.083 112 N HN 0.254 nan 8.380 nan 0.000 0.476 113 P HA -0.159 nan 4.420 nan 0.000 0.217 113 P C 1.235 178.544 177.300 0.015 0.000 1.148 113 P CA 1.159 64.269 63.100 0.016 0.000 0.828 113 P CB 0.148 31.859 31.700 0.018 0.000 0.783 114 M N -0.875 118.733 119.600 0.014 0.000 2.288 114 M HA -0.061 4.420 4.480 0.002 0.000 0.266 114 M C 1.324 177.631 176.300 0.012 0.000 1.072 114 M CA 1.696 57.004 55.300 0.013 0.000 1.132 114 M CB -0.788 31.820 32.600 0.013 0.000 1.386 114 M HN -0.229 nan 8.290 nan 0.000 0.432 115 D N -0.535 119.872 120.400 0.012 0.000 2.213 115 D HA -0.021 4.621 4.640 0.002 0.000 0.205 115 D C 2.029 178.336 176.300 0.010 0.000 0.961 115 D CA 0.932 54.938 54.000 0.010 0.000 0.853 115 D CB -0.023 40.783 40.800 0.010 0.000 0.967 115 D HN 0.354 nan 8.370 nan 0.000 0.496 116 L N 1.046 122.276 121.223 0.011 0.000 2.012 116 L HA -0.193 4.148 4.340 0.002 0.000 0.210 116 L C 2.596 179.473 176.870 0.012 0.000 1.073 116 L CA 1.255 56.102 54.840 0.012 0.000 0.748 116 L CB -0.338 41.729 42.059 0.013 0.000 0.891 116 L HN -0.049 nan 8.230 nan 0.000 0.431 117 K N 0.388 120.796 120.400 0.013 0.000 2.009 117 K HA -0.215 4.106 4.320 0.002 0.000 0.210 117 K C 2.292 178.900 176.600 0.012 0.000 1.049 117 K CA 1.570 57.865 56.287 0.014 0.000 0.929 117 K CB -0.037 32.471 32.500 0.015 0.000 0.714 117 K HN 0.165 nan 8.250 nan 0.000 0.440 118 R N -0.534 119.973 120.500 0.011 0.000 2.139 118 R HA -0.124 4.217 4.340 0.002 0.000 0.243 118 R C 2.380 178.685 176.300 0.009 0.000 1.145 118 R CA 1.352 57.458 56.100 0.010 0.000 0.976 118 R CB -0.408 29.897 30.300 0.009 0.000 0.866 118 R HN 0.401 nan 8.270 nan 0.000 0.449 119 G N 0.752 109.558 108.800 0.009 0.000 2.394 119 G HA2 -0.178 3.783 3.960 0.002 0.000 0.215 119 G HA3 -0.178 3.783 3.960 0.002 0.000 0.215 119 G C 1.414 176.318 174.900 0.008 0.000 1.165 119 G CA 0.376 45.481 45.100 0.008 0.000 0.784 119 G HN 0.137 nan 8.290 nan 0.000 0.535 120 I N 1.231 121.806 120.570 0.009 0.000 2.127 120 I HA -0.168 4.003 4.170 0.002 0.000 0.241 120 I C 2.408 178.529 176.117 0.007 0.000 1.075 120 I CA 1.386 62.691 61.300 0.009 0.000 1.334 120 I CB -0.249 37.757 38.000 0.011 0.000 1.040 120 I HN 0.040 nan 8.210 nan 0.000 0.405 121 D N 0.933 121.338 120.400 0.009 0.000 2.106 121 D HA -0.256 4.386 4.640 0.002 0.000 0.191 121 D C 2.056 178.359 176.300 0.005 0.000 0.997 121 D CA 1.447 55.452 54.000 0.008 0.000 0.834 121 D CB -0.375 40.431 40.800 0.010 0.000 0.956 121 D HN 0.267 nan 8.370 nan 0.000 0.448 122 K N 0.442 120.845 120.400 0.006 0.000 2.063 122 K HA -0.131 4.191 4.320 0.002 0.000 0.208 122 K C 1.992 178.594 176.600 0.003 0.000 1.048 122 K CA 1.413 57.703 56.287 0.004 0.000 0.928 122 K CB -0.073 32.430 32.500 0.005 0.000 0.713 122 K HN 0.076 nan 8.250 nan 0.000 0.442 123 A N 0.385 123.207 122.820 0.003 0.000 1.898 123 A HA -0.080 4.241 4.320 0.002 0.000 0.216 123 A C 2.222 179.805 177.584 -0.001 0.000 1.181 123 A CA 1.424 53.462 52.037 0.002 0.000 0.620 123 A CB -0.524 18.478 19.000 0.003 0.000 0.819 123 A HN 0.167 nan 8.150 nan 0.000 0.442 124 V N -0.233 119.680 119.914 -0.002 0.000 2.307 124 V HA -0.222 3.899 4.120 0.002 0.000 0.245 124 V C 2.774 178.862 176.094 -0.010 0.000 1.045 124 V CA 2.498 64.793 62.300 -0.008 0.000 1.024 124 V CB -1.217 30.601 31.823 -0.008 0.000 0.651 124 V HN 0.607 nan 8.190 nan 0.000 0.449 125 T N 0.505 115.055 114.554 -0.005 0.000 2.652 125 T HA -0.226 4.125 4.350 0.002 0.000 0.267 125 T C 2.075 176.772 174.700 -0.005 0.000 1.039 125 T CA 1.848 63.945 62.100 -0.005 0.000 1.153 125 T CB -0.557 68.310 68.868 -0.001 0.000 0.863 125 T HN 0.573 nan 8.240 nan 0.000 0.428 126 A N 1.631 124.449 122.820 -0.002 0.000 1.873 126 A HA 0.015 4.336 4.320 0.002 0.000 0.218 126 A C 2.683 180.266 177.584 -0.003 0.000 1.193 126 A CA 2.242 54.278 52.037 -0.001 0.000 0.629 126 A CB -1.316 17.684 19.000 0.000 0.000 0.826 126 A HN 0.539 nan 8.150 nan 0.000 0.447 127 A N -0.825 121.992 122.820 -0.004 0.000 1.908 127 A HA -0.044 4.277 4.320 0.002 0.000 0.218 127 A C 2.232 179.811 177.584 -0.010 0.000 1.181 127 A CA 1.975 54.009 52.037 -0.006 0.000 0.627 127 A CB -0.963 18.033 19.000 -0.007 0.000 0.818 127 A HN 0.471 nan 8.150 nan 0.000 0.445 128 V N 0.186 120.091 119.914 -0.014 0.000 2.548 128 V HA -0.156 3.966 4.120 0.002 0.000 0.249 128 V C 2.406 178.493 176.094 -0.012 0.000 1.055 128 V CA 1.855 64.144 62.300 -0.019 0.000 1.065 128 V CB -0.626 31.181 31.823 -0.027 0.000 0.681 128 V HN 0.523 nan 8.190 nan 0.000 0.462 129 E N -0.243 119.952 120.200 -0.008 0.000 2.152 129 E HA -0.144 4.208 4.350 0.002 0.000 0.192 129 E C 2.207 178.806 176.600 -0.003 0.000 0.983 129 E CA 0.583 56.980 56.400 -0.005 0.000 0.818 129 E CB -0.108 29.590 29.700 -0.003 0.000 0.758 129 E HN 0.594 nan 8.360 nan 0.000 0.467 130 E N 0.862 121.061 120.200 -0.002 0.000 2.204 130 E HA -0.109 4.243 4.350 0.002 0.000 0.195 130 E C 2.278 178.878 176.600 -0.000 0.000 0.990 130 E CA 0.351 56.751 56.400 -0.000 0.000 0.821 130 E CB -0.198 29.503 29.700 0.001 0.000 0.750 130 E HN 0.329 nan 8.360 nan 0.000 0.477 131 L N 0.567 121.788 121.223 -0.003 0.000 2.261 131 L HA -0.180 4.162 4.340 0.002 0.000 0.216 131 L C 2.015 178.884 176.870 -0.002 0.000 1.114 131 L CA 0.894 55.732 54.840 -0.003 0.000 0.777 131 L CB -0.339 41.715 42.059 -0.008 0.000 0.910 131 L HN -0.042 nan 8.230 nan 0.000 0.440 132 K N 0.442 120.841 120.400 -0.001 0.000 2.362 132 K HA -0.050 4.271 4.320 0.002 0.000 0.200 132 K C 1.877 178.478 176.600 0.002 0.000 1.046 132 K CA 1.038 57.325 56.287 -0.000 0.000 0.952 132 K CB -0.290 32.209 32.500 -0.000 0.000 0.753 132 K HN 0.261 nan 8.250 nan 0.000 0.466 133 A N -0.676 122.145 122.820 0.002 0.000 2.251 133 A HA 0.147 4.469 4.320 0.002 0.000 0.209 133 A C 1.354 178.942 177.584 0.005 0.000 1.187 133 A CA 0.591 52.630 52.037 0.004 0.000 0.823 133 A CB 0.034 19.037 19.000 0.004 0.000 0.846 133 A HN 0.154 nan 8.150 nan 0.000 0.486 134 L N -2.299 118.927 121.223 0.005 0.000 2.694 134 L HA 0.256 4.597 4.340 0.002 0.000 0.228 134 L C 1.382 178.256 176.870 0.006 0.000 1.048 134 L CA 0.643 55.487 54.840 0.007 0.000 0.887 134 L CB -0.008 42.055 42.059 0.008 0.000 1.265 134 L HN 0.118 nan 8.230 nan 0.000 0.492 135 S N 1.771 117.473 115.700 0.003 0.000 3.829 135 S HA 0.215 4.686 4.470 0.002 0.000 0.250 135 S C 0.194 174.796 174.600 0.003 0.000 1.263 135 S CA -0.574 57.627 58.200 0.003 0.000 0.955 135 S CB -0.919 62.281 63.200 -0.000 0.000 1.611 135 S HN 0.103 nan 8.310 nan 0.000 0.483 136 V N 3.721 123.637 119.914 0.005 0.000 2.673 136 V HA 0.352 4.473 4.120 0.002 0.000 0.303 136 V C -2.367 173.730 176.094 0.004 0.000 1.046 136 V CA -2.054 60.249 62.300 0.005 0.000 1.126 136 V CB -0.416 31.410 31.823 0.006 0.000 0.934 136 V HN 0.410 nan 8.190 nan 0.000 0.487 137 P HA 0.087 nan 4.420 nan 0.000 0.267 137 P C 0.004 177.307 177.300 0.004 0.000 1.200 137 P CA -0.180 62.922 63.100 0.004 0.000 0.772 137 P CB 0.422 32.124 31.700 0.004 0.000 0.855 138 C N 3.113 122.416 119.300 0.005 0.000 3.305 138 C HA 0.127 4.588 4.460 0.002 0.000 0.566 138 C C 1.498 176.490 174.990 0.003 0.000 1.178 138 C CA 0.456 59.476 59.018 0.004 0.000 1.317 138 C CB -2.563 25.180 27.740 0.005 0.000 1.634 138 C HN 0.581 nan 8.230 nan 0.000 0.643 139 S N -0.612 115.089 115.700 0.003 0.000 2.540 139 S HA 0.119 4.590 4.470 0.002 0.000 0.218 139 S C -0.059 174.542 174.600 0.001 0.000 0.977 139 S CA -0.306 57.895 58.200 0.002 0.000 0.918 139 S CB -0.130 63.072 63.200 0.003 0.000 0.806 139 S HN 0.849 nan 8.310 nan 0.000 0.496 140 D N 0.272 120.672 120.400 0.001 0.000 2.228 140 D HA 0.508 5.150 4.640 0.002 0.000 0.247 140 D C 0.547 176.846 176.300 -0.001 0.000 0.995 140 D CA -0.814 53.186 54.000 0.000 0.000 0.903 140 D CB 1.337 42.137 40.800 0.001 0.000 1.205 140 D HN -0.115 nan 8.370 nan 0.000 0.459 141 S N 0.332 116.031 115.700 -0.002 0.000 2.447 141 S HA -0.148 4.323 4.470 0.002 0.000 0.233 141 S C 1.516 176.114 174.600 -0.004 0.000 1.006 141 S CA 0.769 58.967 58.200 -0.003 0.000 0.957 141 S CB -0.272 62.926 63.200 -0.004 0.000 0.773 141 S HN 0.630 nan 8.310 nan 0.000 0.507 142 K N 1.740 122.138 120.400 -0.003 0.000 2.031 142 K HA 0.037 4.359 4.320 0.002 0.000 0.205 142 K C 2.323 178.921 176.600 -0.004 0.000 1.049 142 K CA 1.017 57.302 56.287 -0.004 0.000 0.939 142 K CB -0.394 32.104 32.500 -0.003 0.000 0.717 142 K HN 0.256 nan 8.250 nan 0.000 0.438 143 A N 1.703 124.522 122.820 -0.002 0.000 1.883 143 A HA -0.177 4.144 4.320 0.002 0.000 0.217 143 A C 2.127 179.710 177.584 -0.002 0.000 1.186 143 A CA 1.802 53.838 52.037 -0.001 0.000 0.624 143 A CB -0.752 18.249 19.000 0.001 0.000 0.822 143 A HN 0.377 nan 8.150 nan 0.000 0.444 144 I N -0.234 120.335 120.570 -0.002 0.000 2.127 144 I HA -0.327 3.844 4.170 0.002 0.000 0.241 144 I C 3.004 179.118 176.117 -0.005 0.000 1.075 144 I CA 1.305 62.603 61.300 -0.003 0.000 1.334 144 I CB -0.451 37.547 38.000 -0.003 0.000 1.040 144 I HN 0.365 nan 8.210 nan 0.000 0.405 145 A N 0.011 122.828 122.820 -0.006 0.000 1.908 145 A HA -0.265 4.057 4.320 0.002 0.000 0.218 145 A C 2.274 179.853 177.584 -0.009 0.000 1.181 145 A CA 1.695 53.727 52.037 -0.008 0.000 0.627 145 A CB -0.635 18.360 19.000 -0.008 0.000 0.818 145 A HN 0.509 nan 8.150 nan 0.000 0.445 146 Q N -0.412 119.383 119.800 -0.008 0.000 2.046 146 Q HA -0.125 4.216 4.340 0.002 0.000 0.200 146 Q C 2.266 178.261 176.000 -0.008 0.000 0.975 146 Q CA 2.048 57.845 55.803 -0.010 0.000 0.836 146 Q CB -0.521 28.211 28.738 -0.010 0.000 0.896 146 Q HN 0.751 nan 8.270 nan 0.000 0.428 147 V N -2.128 117.783 119.914 -0.004 0.000 2.490 147 V HA -0.069 4.052 4.120 0.002 0.000 0.250 147 V C 2.003 178.097 176.094 -0.000 0.000 1.061 147 V CA 1.978 64.277 62.300 -0.001 0.000 1.064 147 V CB -1.451 30.374 31.823 0.003 0.000 0.670 147 V HN 0.330 nan 8.190 nan 0.000 0.461 148 G N 0.198 108.996 108.800 -0.003 0.000 2.404 148 G HA2 -0.194 3.767 3.960 0.002 0.000 0.215 148 G HA3 -0.194 3.767 3.960 0.002 0.000 0.215 148 G C 1.580 176.476 174.900 -0.007 0.000 1.174 148 G CA 1.448 46.545 45.100 -0.006 0.000 0.780 148 G HN 0.480 nan 8.290 nan 0.000 0.537 149 T N 1.146 115.694 114.554 -0.009 0.000 2.867 149 T HA -0.052 4.300 4.350 0.002 0.000 0.268 149 T C 2.316 177.009 174.700 -0.012 0.000 1.057 149 T CA 0.677 62.770 62.100 -0.012 0.000 1.136 149 T CB -0.082 68.777 68.868 -0.014 0.000 0.874 149 T HN 0.099 nan 8.240 nan 0.000 0.466 150 I N 0.817 121.380 120.570 -0.011 0.000 2.252 150 I HA -0.084 4.087 4.170 0.002 0.000 0.245 150 I C 2.620 178.735 176.117 -0.005 0.000 1.102 150 I CA 0.985 62.278 61.300 -0.011 0.000 1.385 150 I CB -0.652 37.341 38.000 -0.011 0.000 1.064 150 I HN 0.140 nan 8.210 nan 0.000 0.414 151 S N 0.087 115.788 115.700 0.002 0.000 2.355 151 S HA -0.081 4.390 4.470 0.002 0.000 0.222 151 S C 2.154 176.758 174.600 0.007 0.000 1.031 151 S CA 1.159 59.365 58.200 0.010 0.000 0.993 151 S CB -0.376 62.836 63.200 0.020 0.000 0.859 151 S HN 0.432 nan 8.310 nan 0.000 0.453 152 A N 0.995 123.815 122.820 0.001 0.000 2.248 152 A HA 0.146 4.468 4.320 0.002 0.000 0.210 152 A C 0.854 178.435 177.584 -0.005 0.000 1.174 152 A CA 0.746 52.782 52.037 -0.001 0.000 0.750 152 A CB -0.667 18.329 19.000 -0.006 0.000 0.780 152 A HN 0.772 nan 8.150 nan 0.000 0.478 153 N N -1.227 117.469 118.700 -0.007 0.000 2.932 153 N HA -0.187 4.555 4.740 0.002 0.000 0.247 153 N C 0.106 175.607 175.510 -0.016 0.000 1.101 153 N CA 0.736 53.779 53.050 -0.011 0.000 0.672 153 N CB -1.290 37.192 38.487 -0.008 0.000 0.985 153 N HN 0.456 nan 8.380 nan 0.000 0.561 154 S N -1.330 114.359 115.700 -0.018 0.000 3.018 154 S HA -0.194 4.277 4.470 0.002 0.000 0.274 154 S C -0.192 174.397 174.600 -0.018 0.000 1.300 154 S CA 0.965 59.151 58.200 -0.022 0.000 1.179 154 S CB -0.855 62.329 63.200 -0.027 0.000 1.427 154 S HN 0.703 nan 8.310 nan 0.000 0.668 155 D N 2.056 122.447 120.400 -0.015 0.000 2.385 155 D HA 0.111 4.752 4.640 0.002 0.000 0.260 155 D C 1.204 177.496 176.300 -0.014 0.000 1.326 155 D CA 0.227 54.219 54.000 -0.013 0.000 1.023 155 D CB 0.223 41.016 40.800 -0.011 0.000 1.083 155 D HN 0.526 nan 8.370 nan 0.000 0.517 156 E N 1.058 121.250 120.200 -0.015 0.000 2.118 156 E HA -0.189 4.163 4.350 0.002 0.000 0.195 156 E C 1.735 178.328 176.600 -0.013 0.000 0.992 156 E CA 1.601 57.993 56.400 -0.014 0.000 0.804 156 E CB 0.149 29.840 29.700 -0.014 0.000 0.741 156 E HN 0.597 nan 8.360 nan 0.000 0.458 157 T N 0.080 114.626 114.554 -0.012 0.000 2.674 157 T HA -0.134 4.218 4.350 0.002 0.000 0.265 157 T C 2.210 176.902 174.700 -0.012 0.000 1.039 157 T CA 1.157 63.250 62.100 -0.012 0.000 1.150 157 T CB -0.707 68.155 68.868 -0.011 0.000 0.864 157 T HN -0.041 nan 8.240 nan 0.000 0.427 158 V N 2.020 121.926 119.914 -0.013 0.000 2.295 158 V HA -0.064 4.057 4.120 0.002 0.000 0.246 158 V C 3.023 179.108 176.094 -0.016 0.000 1.049 158 V CA 2.018 64.310 62.300 -0.015 0.000 1.024 158 V CB -1.480 30.335 31.823 -0.014 0.000 0.648 158 V HN 0.687 nan 8.190 nan 0.000 0.447 159 G N -0.239 108.553 108.800 -0.014 0.000 2.404 159 G HA2 -0.310 3.651 3.960 0.002 0.000 0.215 159 G HA3 -0.310 3.651 3.960 0.002 0.000 0.215 159 G C 1.569 176.461 174.900 -0.013 0.000 1.174 159 G CA 1.125 46.217 45.100 -0.013 0.000 0.780 159 G HN 0.464 nan 8.290 nan 0.000 0.537 160 K N 0.155 120.548 120.400 -0.012 0.000 2.032 160 K HA -0.044 4.277 4.320 0.002 0.000 0.209 160 K C 2.300 178.893 176.600 -0.012 0.000 1.048 160 K CA 1.133 57.413 56.287 -0.011 0.000 0.927 160 K CB -0.728 31.766 32.500 -0.011 0.000 0.712 160 K HN 0.252 nan 8.250 nan 0.000 0.441 161 L N 0.469 121.684 121.223 -0.013 0.000 2.056 161 L HA 0.058 4.400 4.340 0.002 0.000 0.207 161 L C 2.078 178.938 176.870 -0.016 0.000 1.078 161 L CA 1.454 56.286 54.840 -0.014 0.000 0.749 161 L CB -0.292 41.758 42.059 -0.014 0.000 0.901 161 L HN 0.266 nan 8.230 nan 0.000 0.433 162 I N -0.757 119.802 120.570 -0.018 0.000 2.226 162 I HA -0.292 3.879 4.170 0.002 0.000 0.245 162 I C 2.549 178.657 176.117 -0.016 0.000 1.100 162 I CA 1.128 62.415 61.300 -0.021 0.000 1.374 162 I CB -0.608 37.376 38.000 -0.026 0.000 1.057 162 I HN 0.313 nan 8.210 nan 0.000 0.413 163 A N 0.428 123.240 122.820 -0.013 0.000 1.902 163 A HA -0.229 4.092 4.320 0.002 0.000 0.217 163 A C 2.211 179.789 177.584 -0.009 0.000 1.181 163 A CA 1.676 53.706 52.037 -0.010 0.000 0.623 163 A CB -0.590 18.405 19.000 -0.009 0.000 0.818 163 A HN 0.435 nan 8.150 nan 0.000 0.443 164 E N -0.385 119.809 120.200 -0.010 0.000 2.204 164 E HA -0.096 4.255 4.350 0.002 0.000 0.195 164 E C 2.227 178.822 176.600 -0.009 0.000 0.990 164 E CA 0.759 57.154 56.400 -0.009 0.000 0.821 164 E CB -0.231 29.463 29.700 -0.009 0.000 0.750 164 E HN 0.648 nan 8.360 nan 0.000 0.477 165 A N 0.983 123.796 122.820 -0.011 0.000 1.873 165 A HA -0.160 4.162 4.320 0.002 0.000 0.215 165 A C 2.140 179.719 177.584 -0.009 0.000 1.186 165 A CA 1.112 53.143 52.037 -0.011 0.000 0.616 165 A CB -0.347 18.644 19.000 -0.015 0.000 0.823 165 A HN 0.120 nan 8.150 nan 0.000 0.442 166 M N -0.625 118.969 119.600 -0.009 0.000 2.117 166 M HA -0.164 4.317 4.480 0.002 0.000 0.262 166 M C 1.957 178.254 176.300 -0.005 0.000 1.065 166 M CA 1.841 57.137 55.300 -0.007 0.000 1.114 166 M CB -0.607 31.989 32.600 -0.006 0.000 1.361 166 M HN 0.513 nan 8.290 nan 0.000 0.408 167 D N 0.437 120.833 120.400 -0.006 0.000 2.228 167 D HA -0.179 4.462 4.640 0.002 0.000 0.203 167 D C 1.620 177.918 176.300 -0.005 0.000 0.988 167 D CA 1.374 55.371 54.000 -0.005 0.000 0.864 167 D CB 0.285 41.081 40.800 -0.005 0.000 0.928 167 D HN 0.219 nan 8.370 nan 0.000 0.469 168 K N -0.139 120.258 120.400 -0.005 0.000 2.108 168 K HA -0.023 4.299 4.320 0.002 0.000 0.204 168 K C 2.053 178.650 176.600 -0.004 0.000 1.036 168 K CA 0.874 57.158 56.287 -0.005 0.000 0.965 168 K CB -0.525 31.971 32.500 -0.006 0.000 0.804 168 K HN 0.091 nan 8.250 nan 0.000 0.454 169 V N -2.095 117.816 119.914 -0.005 0.000 2.871 169 V HA 0.250 4.371 4.120 0.002 0.000 0.256 169 V C 0.891 176.983 176.094 -0.003 0.000 1.082 169 V CA 0.732 63.030 62.300 -0.004 0.000 1.105 169 V CB -1.195 30.625 31.823 -0.004 0.000 0.713 169 V HN 0.359 nan 8.190 nan 0.000 0.473 170 G N 0.267 109.066 108.800 -0.003 0.000 2.756 170 G HA2 -0.206 3.755 3.960 0.002 0.000 0.678 170 G HA3 -0.206 3.755 3.960 0.002 0.000 0.678 170 G C 0.066 174.965 174.900 -0.001 0.000 1.349 170 G CA 0.076 45.175 45.100 -0.001 0.000 0.847 170 G HN 0.386 nan 8.290 nan 0.000 0.548 171 K N 0.107 120.508 120.400 0.000 0.000 2.103 171 K HA -0.097 4.224 4.320 0.002 0.000 0.207 171 K C 1.768 178.369 176.600 0.002 0.000 1.048 171 K CA 1.944 58.232 56.287 0.002 0.000 0.930 171 K CB 0.001 32.502 32.500 0.002 0.000 0.716 171 K HN 0.611 nan 8.250 nan 0.000 0.444 172 E N 0.247 120.448 120.200 0.001 0.000 2.451 172 E HA 0.088 4.439 4.350 0.002 0.000 0.194 172 E C 0.167 176.767 176.600 0.000 0.000 1.027 172 E CA -0.503 55.898 56.400 0.001 0.000 0.914 172 E CB 0.968 30.668 29.700 0.000 0.000 1.054 172 E HN 0.209 nan 8.360 nan 0.000 0.461 173 G N 0.648 109.448 108.800 -0.000 0.000 2.400 173 G HA2 0.353 4.314 3.960 0.002 0.000 0.301 173 G HA3 0.353 4.314 3.960 0.002 0.000 0.301 173 G C -0.056 174.843 174.900 -0.001 0.000 1.154 173 G CA -0.451 44.648 45.100 -0.001 0.000 0.852 173 G HN -0.029 nan 8.290 nan 0.000 0.511 174 V N 1.834 121.748 119.914 -0.001 0.000 2.732 174 V HA 0.425 4.546 4.120 0.002 0.000 0.297 174 V C 0.250 176.340 176.094 -0.007 0.000 1.060 174 V CA 0.052 62.350 62.300 -0.002 0.000 1.038 174 V CB 1.090 32.913 31.823 0.000 0.000 1.003 174 V HN 0.522 nan 8.190 nan 0.000 0.481 175 I N 3.514 124.077 120.570 -0.012 0.000 2.607 175 I HA 0.561 4.733 4.170 0.002 0.000 0.290 175 I C -0.291 175.810 176.117 -0.027 0.000 1.129 175 I CA -0.158 61.130 61.300 -0.019 0.000 1.042 175 I CB 2.518 40.504 38.000 -0.023 0.000 1.242 175 I HN 0.668 nan 8.210 nan 0.000 0.421 176 T N 3.530 118.069 114.554 -0.026 0.000 2.778 176 T HA 0.741 5.092 4.350 0.002 0.000 0.293 176 T C -1.192 173.492 174.700 -0.027 0.000 1.144 176 T CA -0.867 61.218 62.100 -0.025 0.000 1.010 176 T CB 2.587 71.449 68.868 -0.011 0.000 1.325 176 T HN 0.363 nan 8.240 nan 0.000 0.515 177 V N 0.017 119.917 119.914 -0.022 0.000 3.048 177 V HA 0.650 4.771 4.120 0.002 0.000 0.303 177 V C -1.947 174.141 176.094 -0.010 0.000 1.214 177 V CA -0.498 61.790 62.300 -0.020 0.000 0.984 177 V CB 2.154 33.959 31.823 -0.029 0.000 1.054 177 V HN 0.960 nan 8.190 nan 0.000 0.430 178 E N 2.568 122.763 120.200 -0.008 0.000 2.314 178 E HA 0.356 4.707 4.350 0.002 0.000 0.272 178 E C -1.661 174.938 176.600 -0.003 0.000 0.884 178 E CA -0.836 55.562 56.400 -0.003 0.000 0.753 178 E CB 2.023 31.721 29.700 -0.003 0.000 1.213 178 E HN 0.776 nan 8.360 nan 0.000 0.432 179 D N 2.106 122.506 120.400 0.000 0.000 2.449 179 D HA 0.099 4.740 4.640 0.002 0.000 0.278 179 D C 0.404 176.703 176.300 -0.001 0.000 1.417 179 D CA 0.557 54.558 54.000 0.001 0.000 1.192 179 D CB 0.223 41.026 40.800 0.004 0.000 1.129 179 D HN 0.464 nan 8.370 nan 0.000 0.539 180 G N 0.365 109.163 108.800 -0.002 0.000 2.641 180 G HA2 0.453 4.414 3.960 0.002 0.000 0.239 180 G HA3 0.453 4.414 3.960 0.002 0.000 0.239 180 G C 0.719 175.618 174.900 -0.003 0.000 1.402 180 G CA -0.134 44.964 45.100 -0.004 0.000 1.046 180 G HN 0.397 nan 8.290 nan 0.000 0.565 181 T N -3.663 110.888 114.554 -0.004 0.000 3.186 181 T HA 0.382 4.733 4.350 0.002 0.000 0.292 181 T C 0.948 175.646 174.700 -0.004 0.000 0.915 181 T CA 0.632 62.730 62.100 -0.004 0.000 0.902 181 T CB 0.197 69.063 68.868 -0.004 0.000 1.192 181 T HN 0.842 nan 8.240 nan 0.000 0.563 182 G N 0.907 109.704 108.800 -0.005 0.000 2.588 182 G HA2 0.574 4.535 3.960 0.002 0.000 0.281 182 G HA3 0.574 4.535 3.960 0.002 0.000 0.281 182 G C 0.518 175.415 174.900 -0.005 0.000 1.236 182 G CA -0.715 44.382 45.100 -0.005 0.000 0.969 182 G HN 0.288 nan 8.290 nan 0.000 0.504 183 L N -1.058 120.163 121.223 -0.005 0.000 2.357 183 L HA 0.182 4.523 4.340 0.002 0.000 0.211 183 L C 1.039 177.906 176.870 -0.005 0.000 1.075 183 L CA 0.327 55.164 54.840 -0.005 0.000 0.830 183 L CB -0.076 41.980 42.059 -0.004 0.000 0.996 183 L HN 0.598 nan 8.230 nan 0.000 0.467 184 Q N -0.705 119.091 119.800 -0.006 0.000 2.495 184 Q HA 0.437 4.778 4.340 0.002 0.000 0.283 184 Q C -1.408 174.587 176.000 -0.007 0.000 1.097 184 Q CA -0.901 54.898 55.803 -0.007 0.000 0.836 184 Q CB 0.420 29.154 28.738 -0.007 0.000 1.426 184 Q HN -0.061 nan 8.270 nan 0.000 0.459 185 D N -0.135 120.260 120.400 -0.008 0.000 2.253 185 D HA 0.302 4.943 4.640 0.002 0.000 0.249 185 D C -0.896 175.399 176.300 -0.009 0.000 1.049 185 D CA -0.630 53.365 54.000 -0.009 0.000 0.929 185 D CB 1.001 41.794 40.800 -0.010 0.000 1.176 185 D HN 0.595 nan 8.370 nan 0.000 0.437 186 E N 1.576 121.770 120.200 -0.010 0.000 2.073 186 E HA 0.257 4.608 4.350 0.002 0.000 0.269 186 E C -1.244 175.349 176.600 -0.011 0.000 0.917 186 E CA -0.880 55.514 56.400 -0.010 0.000 0.757 186 E CB 0.681 30.375 29.700 -0.010 0.000 1.111 186 E HN 0.301 nan 8.360 nan 0.000 0.410 187 L N 4.571 125.787 121.223 -0.011 0.000 2.380 187 L HA 0.385 4.727 4.340 0.002 0.000 0.273 187 L C -0.735 176.129 176.870 -0.012 0.000 1.138 187 L CA 0.571 55.404 54.840 -0.012 0.000 0.832 187 L CB 1.117 43.169 42.059 -0.012 0.000 1.124 187 L HN 0.556 nan 8.230 nan 0.000 0.454 188 D N 2.808 123.201 120.400 -0.012 0.000 2.583 188 D HA 0.671 5.313 4.640 0.002 0.000 0.248 188 D C -1.760 174.534 176.300 -0.011 0.000 1.209 188 D CA -0.134 53.859 54.000 -0.012 0.000 0.848 188 D CB 2.365 43.157 40.800 -0.013 0.000 1.431 188 D HN 0.319 nan 8.370 nan 0.000 0.436 189 V N 1.033 120.940 119.914 -0.011 0.000 2.851 189 V HA 0.584 4.706 4.120 0.002 0.000 0.307 189 V C -0.597 175.491 176.094 -0.010 0.000 1.129 189 V CA -0.768 61.526 62.300 -0.010 0.000 0.932 189 V CB 1.989 33.807 31.823 -0.009 0.000 1.024 189 V HN 0.440 nan 8.190 nan 0.000 0.426 190 V N 3.075 122.984 119.914 -0.008 0.000 2.656 190 V HA 0.675 4.797 4.120 0.002 0.000 0.307 190 V C -0.693 175.400 176.094 -0.003 0.000 1.051 190 V CA -0.567 61.728 62.300 -0.007 0.000 0.893 190 V CB 2.233 34.051 31.823 -0.009 0.000 0.999 190 V HN 0.873 nan 8.190 nan 0.000 0.426 191 E N 1.515 121.714 120.200 -0.002 0.000 2.312 191 E HA 0.738 5.089 4.350 0.002 0.000 0.267 191 E C 0.442 177.045 176.600 0.006 0.000 0.894 191 E CA 0.443 56.844 56.400 0.002 0.000 0.773 191 E CB 2.230 31.929 29.700 -0.000 0.000 1.241 191 E HN 1.013 nan 8.360 nan 0.000 0.432 192 G N 1.810 110.616 108.800 0.010 0.000 2.512 192 G HA2 -0.299 3.663 3.960 0.002 0.000 0.254 192 G HA3 -0.299 3.663 3.960 0.002 0.000 0.254 192 G C -0.250 174.667 174.900 0.028 0.000 1.199 192 G CA 0.207 45.317 45.100 0.016 0.000 0.941 192 G HN 0.497 nan 8.290 nan 0.000 0.569 193 M N 1.332 120.958 119.600 0.043 0.000 2.066 193 M HA 0.659 5.140 4.480 0.002 0.000 0.340 193 M C -0.390 175.964 176.300 0.089 0.000 1.053 193 M CA -0.365 54.983 55.300 0.080 0.000 0.983 193 M CB 1.115 33.774 32.600 0.099 0.000 1.520 193 M HN 0.716 nan 8.290 nan 0.000 0.428 194 Q N 5.309 125.161 119.800 0.087 0.000 2.323 194 Q HA 0.622 4.964 4.340 0.002 0.000 0.271 194 Q C -1.966 174.105 176.000 0.119 0.000 1.048 194 Q CA -0.746 55.081 55.803 0.040 0.000 0.792 194 Q CB 1.938 30.664 28.738 -0.020 0.000 1.280 194 Q HN 0.749 nan 8.270 nan 0.000 0.441 195 F N 0.006 119.947 119.950 -0.014 0.000 2.603 195 F HA 0.563 5.091 4.527 0.002 0.000 0.317 195 F C -0.487 175.302 175.800 -0.017 0.000 1.066 195 F CA -1.078 56.913 58.000 -0.014 0.000 0.941 195 F CB 1.274 40.268 39.000 -0.011 0.000 1.291 195 F HN 0.388 nan 8.300 nan 0.000 0.472 196 D N 0.897 121.440 120.400 0.237 0.000 2.652 196 D HA 0.186 4.827 4.640 0.002 0.000 0.247 196 D C -0.514 175.830 176.300 0.073 0.000 1.232 196 D CA 0.535 54.593 54.000 0.097 0.000 0.863 196 D CB -0.184 40.680 40.800 0.107 0.000 1.023 196 D HN 0.368 nan 8.370 nan 0.000 0.474 197 R N -0.396 120.105 120.500 0.001 0.000 2.533 197 R HA 0.592 4.933 4.340 0.002 0.000 0.288 197 R C 0.142 176.325 176.300 -0.196 0.000 1.039 197 R CA -0.580 55.505 56.100 -0.025 0.000 0.909 197 R CB 1.513 31.911 30.300 0.163 0.000 1.195 197 R HN 0.106 nan 8.270 nan 0.000 0.438 198 G N 1.424 110.090 108.800 -0.224 0.000 2.525 198 G HA2 0.237 4.199 3.960 0.002 0.000 0.287 198 G HA3 0.237 4.199 3.960 0.002 0.000 0.287 198 G C -0.862 173.876 174.900 -0.269 0.000 1.350 198 G CA -0.559 44.318 45.100 -0.372 0.000 1.039 198 G HN 0.570 nan 8.290 nan 0.000 0.513 199 Y N -1.196 119.087 120.300 -0.028 0.000 2.597 199 Y HA 0.291 4.842 4.550 0.002 0.000 0.336 199 Y C 1.185 177.111 175.900 0.045 0.000 1.216 199 Y CA -0.915 57.194 58.100 0.015 0.000 1.463 199 Y CB 0.362 38.828 38.460 0.009 0.000 1.303 199 Y HN 0.166 nan 8.280 nan 0.000 0.576 200 L N 2.043 123.410 121.223 0.240 0.000 2.610 200 L HA 0.076 4.417 4.340 0.002 0.000 0.232 200 L C 0.684 177.692 176.870 0.229 0.000 1.149 200 L CA 0.726 55.679 54.840 0.189 0.000 0.872 200 L CB -0.229 41.917 42.059 0.145 0.000 0.992 200 L HN 0.769 nan 8.230 nan 0.000 0.447 201 S N -1.083 114.802 115.700 0.308 0.000 2.543 201 S HA 0.390 4.861 4.470 0.002 0.000 0.273 201 S C -2.177 172.515 174.600 0.154 0.000 1.152 201 S CA -0.878 57.477 58.200 0.258 0.000 0.910 201 S CB 1.777 65.127 63.200 0.251 0.000 1.105 201 S HN -0.168 nan 8.310 nan 0.000 0.465 202 P HA 0.101 nan 4.420 nan 0.000 0.240 202 P C 0.427 177.562 177.300 -0.274 0.000 1.190 202 P CA 0.376 63.313 63.100 -0.272 0.000 0.781 202 P CB -0.156 31.410 31.700 -0.223 0.000 0.931 203 Y N -1.286 119.000 120.300 -0.024 0.000 2.542 203 Y HA 0.088 4.639 4.550 0.002 0.000 0.326 203 Y C 1.607 177.547 175.900 0.066 0.000 1.218 203 Y CA 0.667 58.770 58.100 0.004 0.000 1.277 203 Y CB -0.919 37.543 38.460 0.002 0.000 1.064 203 Y HN 0.017 nan 8.280 nan 0.000 0.499 204 F N -0.847 119.059 119.950 -0.074 0.000 2.838 204 F HA 0.304 4.833 4.527 0.002 0.000 0.329 204 F C 0.150 175.842 175.800 -0.180 0.000 1.116 204 F CA -0.290 57.654 58.000 -0.093 0.000 1.155 204 F CB 0.542 39.506 39.000 -0.059 0.000 1.106 204 F HN -0.191 nan 8.300 nan 0.000 0.538 205 I N 3.515 123.984 120.570 -0.169 0.000 2.472 205 I HA -0.118 4.053 4.170 0.002 0.000 0.305 205 I C 1.336 177.389 176.117 -0.107 0.000 1.196 205 I CA 0.257 61.404 61.300 -0.254 0.000 1.613 205 I CB -0.277 37.543 38.000 -0.300 0.000 1.501 205 I HN 0.334 nan 8.210 nan 0.000 0.754 206 N N 4.711 123.358 118.700 -0.089 0.000 2.521 206 N HA -0.071 4.671 4.740 0.002 0.000 0.188 206 N C 0.085 175.576 175.510 -0.032 0.000 1.146 206 N CA 0.331 53.372 53.050 -0.015 0.000 0.893 206 N CB 0.384 38.893 38.487 0.036 0.000 0.975 206 N HN 0.327 nan 8.380 nan 0.000 0.451 207 K N 1.085 121.451 120.400 -0.057 0.000 2.592 207 K HA 0.277 4.599 4.320 0.002 0.000 0.212 207 K C -2.075 174.501 176.600 -0.040 0.000 1.013 207 K CA -1.802 54.461 56.287 -0.040 0.000 1.034 207 K CB 2.034 34.510 32.500 -0.039 0.000 1.292 207 K HN -0.083 nan 8.250 nan 0.000 0.521 208 P HA -0.160 nan 4.420 nan 0.000 0.218 208 P C 0.363 177.651 177.300 -0.019 0.000 1.146 208 P CA 1.181 64.263 63.100 -0.029 0.000 0.813 208 P CB 0.436 32.122 31.700 -0.024 0.000 0.778 209 E N -1.553 118.636 120.200 -0.017 0.000 2.516 209 E HA -0.044 4.307 4.350 0.002 0.000 0.199 209 E C 1.230 177.821 176.600 -0.014 0.000 1.069 209 E CA 1.294 57.686 56.400 -0.014 0.000 0.876 209 E CB -0.771 28.922 29.700 -0.012 0.000 0.843 209 E HN 0.416 nan 8.360 nan 0.000 0.530 210 T N -6.690 107.855 114.554 -0.015 0.000 3.123 210 T HA 0.307 4.658 4.350 0.002 0.000 0.266 210 T C 1.440 176.138 174.700 -0.004 0.000 0.873 210 T CA -0.052 62.040 62.100 -0.012 0.000 0.854 210 T CB 0.434 69.292 68.868 -0.017 0.000 1.254 210 T HN 0.163 nan 8.240 nan 0.000 0.570 211 G N 1.566 110.364 108.800 -0.003 0.000 2.137 211 G HA2 0.161 4.122 3.960 0.002 0.000 0.237 211 G HA3 0.161 4.122 3.960 0.002 0.000 0.237 211 G C 0.166 175.094 174.900 0.046 0.000 1.002 211 G CA -0.053 45.061 45.100 0.024 0.000 0.702 211 G HN 1.351 nan 8.290 nan 0.000 0.515 212 A N -0.778 122.035 122.820 -0.012 0.000 2.320 212 A HA 0.891 5.212 4.320 0.002 0.000 0.334 212 A C 0.114 177.620 177.584 -0.130 0.000 1.147 212 A CA -0.288 51.731 52.037 -0.030 0.000 0.820 212 A CB 1.958 20.934 19.000 -0.041 0.000 1.218 212 A HN 1.170 nan 8.150 nan 0.000 0.482 213 V N 1.580 121.383 119.914 -0.185 0.000 2.472 213 V HA 0.398 4.519 4.120 0.002 0.000 0.290 213 V C -0.073 175.841 176.094 -0.301 0.000 1.037 213 V CA -0.372 61.691 62.300 -0.395 0.000 0.908 213 V CB 1.225 32.705 31.823 -0.571 0.000 0.985 213 V HN 0.947 nan 8.190 nan 0.000 0.454 214 E N 4.557 124.574 120.200 -0.306 0.000 2.199 214 E HA 0.636 4.988 4.350 0.002 0.000 0.265 214 E C -1.478 175.045 176.600 -0.129 0.000 0.882 214 E CA -0.607 55.694 56.400 -0.166 0.000 0.759 214 E CB 2.293 31.939 29.700 -0.090 0.000 1.148 214 E HN 0.524 nan 8.360 nan 0.000 0.412 215 L N 2.409 123.590 121.223 -0.070 0.000 2.349 215 L HA 0.502 4.843 4.340 0.002 0.000 0.278 215 L C -0.336 176.531 176.870 -0.005 0.000 0.996 215 L CA -0.936 53.906 54.840 0.003 0.000 0.825 215 L CB 1.460 43.542 42.059 0.039 0.000 1.243 215 L HN 0.449 nan 8.230 nan 0.000 0.412 216 E N 1.593 121.792 120.200 -0.001 0.000 2.204 216 E HA 0.318 4.669 4.350 0.002 0.000 0.276 216 E C 0.358 176.938 176.600 -0.034 0.000 0.974 216 E CA -0.337 56.053 56.400 -0.017 0.000 0.815 216 E CB 1.737 31.429 29.700 -0.014 0.000 1.119 216 E HN 0.509 nan 8.360 nan 0.000 0.393 217 S N 3.366 119.031 115.700 -0.059 0.000 3.549 217 S HA -0.107 4.364 4.470 0.002 0.000 0.366 217 S C -2.353 172.144 174.600 -0.173 0.000 1.012 217 S CA 0.455 58.587 58.200 -0.113 0.000 1.141 217 S CB -1.051 62.078 63.200 -0.119 0.000 0.910 217 S HN 0.519 nan 8.310 nan 0.000 0.471 218 P HA 0.337 nan 4.420 nan 0.000 0.274 218 P C 0.173 177.397 177.300 -0.127 0.000 1.231 218 P CA -0.461 62.600 63.100 -0.065 0.000 0.790 218 P CB 0.337 32.058 31.700 0.035 0.000 0.951 219 F N 1.327 121.304 119.950 0.045 0.000 2.410 219 F HA 0.348 4.876 4.527 0.002 0.000 0.334 219 F C 1.057 176.887 175.800 0.051 0.000 1.134 219 F CA 0.084 58.109 58.000 0.041 0.000 1.227 219 F CB 0.271 39.293 39.000 0.036 0.000 1.194 219 F HN 0.074 nan 8.300 nan 0.000 0.571 220 I N 3.959 124.688 120.570 0.265 0.000 2.500 220 I HA 0.226 4.397 4.170 0.002 0.000 0.286 220 I C -1.324 174.866 176.117 0.123 0.000 1.063 220 I CA -0.805 60.593 61.300 0.164 0.000 1.062 220 I CB 1.813 39.891 38.000 0.129 0.000 1.223 220 I HN 0.277 nan 8.210 nan 0.000 0.435 221 L N 8.123 129.403 121.223 0.096 0.000 2.289 221 L HA 0.594 4.935 4.340 0.002 0.000 0.285 221 L C -1.090 175.807 176.870 0.044 0.000 1.049 221 L CA 0.002 54.875 54.840 0.055 0.000 0.804 221 L CB 1.011 43.095 42.059 0.042 0.000 1.195 221 L HN 0.440 nan 8.230 nan 0.000 0.428 222 L N 5.933 127.170 121.223 0.022 0.000 2.349 222 L HA 0.885 5.227 4.340 0.002 0.000 0.278 222 L C -0.498 176.371 176.870 -0.002 0.000 0.996 222 L CA -0.646 54.196 54.840 0.002 0.000 0.825 222 L CB 1.602 43.653 42.059 -0.013 0.000 1.243 222 L HN 0.792 nan 8.230 nan 0.000 0.412 223 A N 1.600 124.419 122.820 -0.003 0.000 2.429 223 A HA 0.364 4.686 4.320 0.002 0.000 0.289 223 A C -0.784 176.798 177.584 -0.002 0.000 1.043 223 A CA -0.510 51.526 52.037 -0.001 0.000 0.722 223 A CB 1.383 20.388 19.000 0.007 0.000 1.243 223 A HN 0.791 nan 8.150 nan 0.000 0.415 224 D N 1.461 121.858 120.400 -0.006 0.000 2.881 224 D HA 0.320 4.961 4.640 0.002 0.000 0.240 224 D C 0.083 176.386 176.300 0.005 0.000 1.249 224 D CA 0.318 54.315 54.000 -0.004 0.000 0.839 224 D CB -0.197 40.596 40.800 -0.011 0.000 1.042 224 D HN 0.484 nan 8.370 nan 0.000 0.475 225 K N -0.667 119.739 120.400 0.010 0.000 2.469 225 K HA 0.345 4.667 4.320 0.002 0.000 0.254 225 K C -0.725 175.887 176.600 0.020 0.000 0.939 225 K CA -1.105 55.190 56.287 0.014 0.000 0.812 225 K CB 0.811 33.318 32.500 0.010 0.000 1.301 225 K HN -0.125 nan 8.250 nan 0.000 0.433 226 K N 2.614 123.027 120.400 0.022 0.000 2.382 226 K HA 0.275 4.596 4.320 0.002 0.000 0.275 226 K C -0.594 176.020 176.600 0.022 0.000 1.009 226 K CA -0.211 56.092 56.287 0.025 0.000 0.970 226 K CB 0.267 32.782 32.500 0.026 0.000 0.934 226 K HN 0.624 nan 8.250 nan 0.000 0.479 227 I N 1.802 122.388 120.570 0.026 0.000 2.441 227 I HA 0.111 4.282 4.170 0.002 0.000 0.295 227 I C 0.541 176.672 176.117 0.023 0.000 0.994 227 I CA -0.467 60.846 61.300 0.023 0.000 1.144 227 I CB 1.912 39.927 38.000 0.026 0.000 1.314 227 I HN 0.945 nan 8.210 nan 0.000 0.445 228 S N 3.504 119.215 115.700 0.018 0.000 3.102 228 S HA 0.193 4.664 4.470 0.002 0.000 0.265 228 S C 0.257 174.865 174.600 0.012 0.000 1.072 228 S CA -0.162 58.048 58.200 0.016 0.000 0.946 228 S CB 0.101 63.310 63.200 0.015 0.000 0.901 228 S HN 0.740 nan 8.310 nan 0.000 0.437 229 N N 1.629 120.334 118.700 0.009 0.000 2.520 229 N HA 0.292 5.033 4.740 0.002 0.000 0.273 229 N C 0.416 175.929 175.510 0.006 0.000 1.155 229 N CA -0.084 52.969 53.050 0.005 0.000 0.967 229 N CB 1.003 39.492 38.487 0.003 0.000 1.092 229 N HN 0.163 nan 8.380 nan 0.000 0.457 230 I N 2.031 122.603 120.570 0.003 0.000 2.830 230 I HA -0.091 4.080 4.170 0.002 0.000 0.263 230 I C 2.221 178.337 176.117 -0.001 0.000 1.230 230 I CA 0.829 62.130 61.300 0.001 0.000 1.480 230 I CB -0.377 37.622 38.000 -0.002 0.000 1.095 230 I HN 0.550 nan 8.210 nan 0.000 0.455 231 R N 0.744 121.243 120.500 -0.002 0.000 2.162 231 R HA -0.308 4.034 4.340 0.002 0.000 0.245 231 R C 1.894 178.191 176.300 -0.005 0.000 1.129 231 R CA 2.594 58.692 56.100 -0.004 0.000 0.940 231 R CB -0.297 30.001 30.300 -0.002 0.000 0.875 231 R HN 0.398 nan 8.270 nan 0.000 0.437 232 E N -0.523 119.675 120.200 -0.003 0.000 2.268 232 E HA -0.131 4.220 4.350 0.002 0.000 0.195 232 E C 1.856 178.452 176.600 -0.007 0.000 0.995 232 E CA 1.087 57.485 56.400 -0.004 0.000 0.836 232 E CB 0.027 29.726 29.700 -0.001 0.000 0.763 232 E HN 0.337 nan 8.360 nan 0.000 0.491 233 M N -0.278 119.320 119.600 -0.004 0.000 2.334 233 M HA 0.061 4.543 4.480 0.002 0.000 0.266 233 M C 2.006 178.298 176.300 -0.013 0.000 1.082 233 M CA 0.841 56.138 55.300 -0.006 0.000 1.141 233 M CB -0.503 32.098 32.600 0.002 0.000 1.380 233 M HN 0.165 nan 8.290 nan 0.000 0.440 234 L N 0.163 121.378 121.223 -0.012 0.000 2.051 234 L HA -0.233 4.109 4.340 0.002 0.000 0.214 234 L C -0.394 176.463 176.870 -0.021 0.000 1.076 234 L CA 1.696 56.527 54.840 -0.015 0.000 0.758 234 L CB -2.361 39.690 42.059 -0.013 0.000 0.890 234 L HN 0.187 nan 8.230 nan 0.000 0.433 235 P HA -0.135 nan 4.420 nan 0.000 0.215 235 P C 1.937 179.208 177.300 -0.048 0.000 1.157 235 P CA 1.193 64.273 63.100 -0.033 0.000 0.868 235 P CB 0.031 31.711 31.700 -0.034 0.000 0.788 236 V N -0.688 119.194 119.914 -0.054 0.000 2.427 236 V HA -0.187 3.934 4.120 0.002 0.000 0.248 236 V C 2.483 178.542 176.094 -0.059 0.000 1.051 236 V CA 1.327 63.579 62.300 -0.079 0.000 1.048 236 V CB -1.152 30.627 31.823 -0.074 0.000 0.666 236 V HN 0.066 nan 8.190 nan 0.000 0.456 237 L N -0.032 121.172 121.223 -0.031 0.000 1.994 237 L HA -0.218 4.123 4.340 0.002 0.000 0.208 237 L C 2.714 179.574 176.870 -0.016 0.000 1.071 237 L CA 2.120 56.950 54.840 -0.016 0.000 0.745 237 L CB -0.264 41.788 42.059 -0.012 0.000 0.892 237 L HN 0.381 nan 8.230 nan 0.000 0.431 238 E N -0.082 120.106 120.200 -0.020 0.000 2.110 238 E HA -0.199 4.153 4.350 0.002 0.000 0.193 238 E C 1.938 178.528 176.600 -0.018 0.000 0.988 238 E CA 1.406 57.797 56.400 -0.016 0.000 0.804 238 E CB -0.075 29.615 29.700 -0.017 0.000 0.745 238 E HN 0.462 nan 8.360 nan 0.000 0.458 239 A N -0.098 122.701 122.820 -0.036 0.000 1.930 239 A HA -0.105 4.217 4.320 0.002 0.000 0.217 239 A C 2.467 180.036 177.584 -0.025 0.000 1.175 239 A CA 1.462 53.470 52.037 -0.047 0.000 0.627 239 A CB -0.642 18.300 19.000 -0.097 0.000 0.815 239 A HN 0.206 nan 8.150 nan 0.000 0.443 240 V N -0.230 119.673 119.914 -0.018 0.000 2.358 240 V HA -0.213 3.908 4.120 0.002 0.000 0.246 240 V C 3.043 179.176 176.094 0.065 0.000 1.047 240 V CA 1.780 64.113 62.300 0.055 0.000 1.035 240 V CB -1.021 30.839 31.823 0.061 0.000 0.658 240 V HN 0.610 nan 8.190 nan 0.000 0.452 241 A N -0.293 122.546 122.820 0.031 0.000 1.940 241 A HA -0.252 4.069 4.320 0.002 0.000 0.219 241 A C 2.226 179.828 177.584 0.029 0.000 1.176 241 A CA 1.990 54.042 52.037 0.024 0.000 0.631 241 A CB -0.394 18.610 19.000 0.007 0.000 0.814 241 A HN 0.554 nan 8.150 nan 0.000 0.446 242 K N -0.772 119.644 120.400 0.028 0.000 2.366 242 K HA 0.202 4.524 4.320 0.002 0.000 0.198 242 K C 1.790 178.421 176.600 0.053 0.000 1.044 242 K CA 0.669 56.974 56.287 0.030 0.000 0.973 242 K CB -0.028 32.482 32.500 0.018 0.000 0.767 242 K HN 0.442 nan 8.250 nan 0.000 0.475 243 A N -0.025 122.846 122.820 0.085 0.000 2.115 243 A HA 0.269 4.590 4.320 0.002 0.000 0.211 243 A C 1.721 179.377 177.584 0.121 0.000 1.169 243 A CA 0.852 52.971 52.037 0.138 0.000 0.787 243 A CB -0.130 19.029 19.000 0.265 0.000 0.858 243 A HN 0.325 nan 8.150 nan 0.000 0.474 244 G N -0.023 108.837 108.800 0.099 0.000 2.435 244 G HA2 -0.359 3.603 3.960 0.002 0.000 0.245 244 G HA3 -0.359 3.603 3.960 0.002 0.000 0.245 244 G C 0.461 175.409 174.900 0.080 0.000 1.073 244 G CA 0.792 45.936 45.100 0.072 0.000 0.638 244 G HN 0.592 nan 8.290 nan 0.000 0.521 245 K N 2.282 122.740 120.400 0.095 0.000 2.453 245 K HA 0.314 4.635 4.320 0.002 0.000 0.280 245 K C -2.021 174.663 176.600 0.140 0.000 1.045 245 K CA -0.871 55.440 56.287 0.041 0.000 1.059 245 K CB 0.504 32.914 32.500 -0.151 0.000 0.901 245 K HN 0.226 nan 8.250 nan 0.000 0.475 246 P HA -0.037 nan 4.420 nan 0.000 0.271 246 P C -1.020 176.403 177.300 0.206 0.000 1.238 246 P CA -0.362 62.831 63.100 0.155 0.000 0.794 246 P CB 0.458 32.252 31.700 0.158 0.000 0.959 247 L N 1.636 122.982 121.223 0.204 0.000 2.362 247 L HA 0.535 4.877 4.340 0.002 0.000 0.275 247 L C -1.360 175.625 176.870 0.192 0.000 0.998 247 L CA -0.793 54.170 54.840 0.206 0.000 0.820 247 L CB 1.476 43.631 42.059 0.161 0.000 1.270 247 L HN 0.111 nan 8.230 nan 0.000 0.415 248 L N 5.908 127.238 121.223 0.178 0.000 2.272 248 L HA 0.587 4.928 4.340 0.002 0.000 0.289 248 L C -0.955 176.003 176.870 0.147 0.000 1.032 248 L CA 0.043 54.983 54.840 0.167 0.000 0.810 248 L CB 1.059 43.213 42.059 0.158 0.000 1.205 248 L HN 0.529 nan 8.230 nan 0.000 0.422 249 I N 6.863 127.516 120.570 0.139 0.000 2.291 249 I HA 0.261 4.432 4.170 0.002 0.000 0.290 249 I C 0.047 176.238 176.117 0.122 0.000 1.050 249 I CA 0.245 61.612 61.300 0.111 0.000 1.245 249 I CB 0.600 38.656 38.000 0.094 0.000 1.405 249 I HN 0.447 nan 8.210 nan 0.000 0.478 250 I N 6.522 127.155 120.570 0.106 0.000 2.234 250 I HA 0.402 4.573 4.170 0.002 0.000 0.287 250 I C 0.701 176.842 176.117 0.041 0.000 1.131 250 I CA -0.212 61.140 61.300 0.087 0.000 1.335 250 I CB -0.142 37.884 38.000 0.043 0.000 1.511 250 I HN 0.594 nan 8.210 nan 0.000 0.588 251 A N 2.842 125.695 122.820 0.055 0.000 2.279 251 A HA 0.262 4.584 4.320 0.002 0.000 0.303 251 A C 1.398 179.004 177.584 0.037 0.000 1.108 251 A CA -0.484 51.575 52.037 0.037 0.000 0.830 251 A CB 0.809 19.834 19.000 0.042 0.000 1.106 251 A HN 0.700 nan 8.150 nan 0.000 0.493 252 E N -0.106 120.110 120.200 0.027 0.000 2.130 252 E HA -0.200 4.151 4.350 0.002 0.000 0.196 252 E C -0.140 176.487 176.600 0.046 0.000 0.998 252 E CA 1.783 58.202 56.400 0.032 0.000 0.806 252 E CB 0.145 29.861 29.700 0.026 0.000 0.738 252 E HN 0.662 nan 8.360 nan 0.000 0.459 253 D N -1.818 118.609 120.400 0.045 0.000 2.622 253 D HA 0.295 4.937 4.640 0.002 0.000 0.255 253 D C -1.900 174.430 176.300 0.050 0.000 1.246 253 D CA -0.581 53.449 54.000 0.051 0.000 0.795 253 D CB 2.396 43.223 40.800 0.045 0.000 1.369 253 D HN -0.105 nan 8.370 nan 0.000 0.425 254 V N 2.247 122.194 119.914 0.055 0.000 2.567 254 V HA 0.465 4.586 4.120 0.002 0.000 0.298 254 V C -0.152 175.974 176.094 0.052 0.000 1.047 254 V CA -0.629 61.703 62.300 0.054 0.000 0.880 254 V CB 1.536 33.399 31.823 0.065 0.000 1.009 254 V HN 0.632 nan 8.190 nan 0.000 0.429 255 E N 3.395 123.620 120.200 0.041 0.000 2.437 255 E HA 0.880 5.232 4.350 0.002 0.000 0.253 255 E C 0.459 177.077 176.600 0.029 0.000 0.905 255 E CA -0.384 56.038 56.400 0.037 0.000 0.871 255 E CB 1.661 31.381 29.700 0.033 0.000 1.649 255 E HN 1.162 nan 8.360 nan 0.000 0.422 256 G N 0.938 109.752 108.800 0.024 0.000 2.575 256 G HA2 -0.398 3.564 3.960 0.002 0.000 0.267 256 G HA3 -0.398 3.564 3.960 0.002 0.000 0.267 256 G C 0.548 175.456 174.900 0.012 0.000 1.264 256 G CA 0.760 45.870 45.100 0.016 0.000 0.935 256 G HN 0.809 nan 8.290 nan 0.000 0.568 257 E N 0.280 120.484 120.200 0.007 0.000 2.347 257 E HA 0.375 4.727 4.350 0.002 0.000 0.196 257 E C 2.596 179.197 176.600 0.002 0.000 1.008 257 E CA 2.053 58.454 56.400 0.001 0.000 0.852 257 E CB -0.486 29.212 29.700 -0.002 0.000 0.783 257 E HN 1.227 nan 8.360 nan 0.000 0.505 258 A N 1.462 124.287 122.820 0.008 0.000 1.858 258 A HA -0.135 4.186 4.320 0.002 0.000 0.216 258 A C 2.180 179.774 177.584 0.017 0.000 1.190 258 A CA 1.534 53.578 52.037 0.012 0.000 0.617 258 A CB -0.859 18.152 19.000 0.018 0.000 0.827 258 A HN 0.313 nan 8.150 nan 0.000 0.443 259 L N -0.227 121.011 121.223 0.025 0.000 2.012 259 L HA -0.094 4.247 4.340 0.002 0.000 0.210 259 L C 2.737 179.619 176.870 0.019 0.000 1.073 259 L CA 2.308 57.169 54.840 0.035 0.000 0.748 259 L CB -0.909 41.178 42.059 0.046 0.000 0.891 259 L HN 0.386 nan 8.230 nan 0.000 0.431 260 A N -0.974 121.850 122.820 0.006 0.000 1.859 260 A HA -0.296 4.025 4.320 0.002 0.000 0.217 260 A C 2.371 179.938 177.584 -0.029 0.000 1.198 260 A CA 3.112 55.139 52.037 -0.016 0.000 0.629 260 A CB -1.550 17.440 19.000 -0.017 0.000 0.830 260 A HN 0.635 nan 8.150 nan 0.000 0.446 261 T N -1.320 113.221 114.554 -0.021 0.000 2.746 261 T HA -0.074 4.278 4.350 0.002 0.000 0.267 261 T C 1.852 176.532 174.700 -0.033 0.000 1.039 261 T CA 1.446 63.529 62.100 -0.028 0.000 1.142 261 T CB -0.638 68.218 68.868 -0.020 0.000 0.866 261 T HN 0.283 nan 8.240 nan 0.000 0.444 262 L N 0.633 121.845 121.223 -0.019 0.000 2.017 262 L HA -0.066 4.275 4.340 0.002 0.000 0.208 262 L C 2.991 179.831 176.870 -0.049 0.000 1.073 262 L CA 0.988 55.815 54.840 -0.021 0.000 0.745 262 L CB -0.714 41.354 42.059 0.014 0.000 0.894 262 L HN 0.167 nan 8.230 nan 0.000 0.432 263 V N -0.807 119.087 119.914 -0.033 0.000 2.295 263 V HA -0.242 3.879 4.120 0.002 0.000 0.246 263 V C 2.390 178.422 176.094 -0.104 0.000 1.049 263 V CA 1.511 63.781 62.300 -0.050 0.000 1.024 263 V CB -0.162 31.651 31.823 -0.017 0.000 0.648 263 V HN 0.189 nan 8.190 nan 0.000 0.447 264 V N 0.422 120.277 119.914 -0.099 0.000 2.343 264 V HA -0.227 3.894 4.120 0.002 0.000 0.247 264 V C 2.219 178.253 176.094 -0.101 0.000 1.051 264 V CA 2.017 64.253 62.300 -0.106 0.000 1.036 264 V CB -0.791 30.981 31.823 -0.085 0.000 0.654 264 V HN 0.595 nan 8.190 nan 0.000 0.451 265 N N -0.264 118.380 118.700 -0.093 0.000 2.381 265 N HA -0.117 4.625 4.740 0.002 0.000 0.182 265 N C 1.780 177.207 175.510 -0.138 0.000 1.025 265 N CA 1.744 54.738 53.050 -0.093 0.000 0.888 265 N CB 0.027 38.471 38.487 -0.071 0.000 0.965 265 N HN 0.495 nan 8.380 nan 0.000 0.438 266 T N 1.241 115.674 114.554 -0.201 0.000 2.781 266 T HA 0.015 4.367 4.350 0.002 0.000 0.252 266 T C 1.950 176.514 174.700 -0.227 0.000 1.039 266 T CA 0.380 62.280 62.100 -0.333 0.000 1.147 266 T CB -0.019 68.498 68.868 -0.584 0.000 0.865 266 T HN 0.136 nan 8.240 nan 0.000 0.423 267 M N 0.774 120.278 119.600 -0.159 0.000 2.202 267 M HA -0.036 4.445 4.480 0.002 0.000 0.262 267 M C 2.047 178.302 176.300 -0.075 0.000 1.063 267 M CA 1.471 56.715 55.300 -0.094 0.000 1.097 267 M CB -0.013 32.511 32.600 -0.128 0.000 1.382 267 M HN -0.016 nan 8.290 nan 0.000 0.413 268 R N -0.391 120.059 120.500 -0.084 0.000 2.388 268 R HA 0.137 4.479 4.340 0.002 0.000 0.247 268 R C 0.730 176.997 176.300 -0.055 0.000 0.931 268 R CA 0.736 56.798 56.100 -0.062 0.000 1.082 268 R CB -0.038 30.226 30.300 -0.061 0.000 1.135 268 R HN 0.578 nan 8.270 nan 0.000 0.525 269 G N 0.815 109.575 108.800 -0.068 0.000 2.143 269 G HA2 -0.236 3.725 3.960 0.002 0.000 0.248 269 G HA3 -0.236 3.725 3.960 0.002 0.000 0.248 269 G C 0.599 175.469 174.900 -0.049 0.000 0.991 269 G CA 0.362 45.429 45.100 -0.054 0.000 0.689 269 G HN 0.256 nan 8.290 nan 0.000 0.522 270 I N -0.197 120.337 120.570 -0.059 0.000 2.193 270 I HA 0.113 4.284 4.170 0.002 0.000 0.240 270 I C 1.534 177.626 176.117 -0.041 0.000 1.084 270 I CA 2.199 63.472 61.300 -0.044 0.000 1.365 270 I CB -1.454 36.519 38.000 -0.045 0.000 1.064 270 I HN 0.670 nan 8.210 nan 0.000 0.410 271 V N -2.073 117.802 119.914 -0.065 0.000 2.969 271 V HA 0.419 4.540 4.120 0.002 0.000 0.304 271 V C -0.330 175.692 176.094 -0.120 0.000 1.192 271 V CA -1.376 60.892 62.300 -0.053 0.000 0.962 271 V CB 2.059 33.868 31.823 -0.023 0.000 1.045 271 V HN 0.053 nan 8.190 nan 0.000 0.428 272 K N 2.623 122.980 120.400 -0.072 0.000 2.294 272 K HA 0.504 4.826 4.320 0.002 0.000 0.288 272 K C -0.400 176.197 176.600 -0.004 0.000 1.072 272 K CA 0.020 56.247 56.287 -0.100 0.000 0.960 272 K CB 0.966 33.587 32.500 0.203 0.000 1.043 272 K HN 0.964 nan 8.250 nan 0.000 0.455 273 V N -0.266 119.553 119.914 -0.159 0.000 2.638 273 V HA 0.835 4.956 4.120 0.002 0.000 0.306 273 V C -0.718 175.499 176.094 0.206 0.000 1.052 273 V CA -1.015 61.328 62.300 0.071 0.000 0.885 273 V CB 1.726 33.561 31.823 0.020 0.000 0.999 273 V HN 0.614 nan 8.190 nan 0.000 0.424 274 A N 3.492 126.523 122.820 0.353 0.000 2.374 274 A HA 1.062 5.383 4.320 0.002 0.000 0.317 274 A C -0.088 177.631 177.584 0.226 0.000 1.094 274 A CA -0.281 51.978 52.037 0.371 0.000 0.765 274 A CB 1.839 21.051 19.000 0.354 0.000 1.268 274 A HN 2.371 nan 8.150 nan 0.000 0.438 275 A N 0.754 123.697 122.820 0.206 0.000 2.386 275 A HA 0.814 5.135 4.320 0.002 0.000 0.311 275 A C -0.533 177.151 177.584 0.167 0.000 1.068 275 A CA -0.154 51.980 52.037 0.163 0.000 0.743 275 A CB 1.356 20.435 19.000 0.131 0.000 1.258 275 A HN 2.266 nan 8.150 nan 0.000 0.429 276 V N -0.688 119.323 119.914 0.161 0.000 2.888 276 V HA 0.570 4.691 4.120 0.002 0.000 0.309 276 V C -0.563 175.627 176.094 0.160 0.000 1.114 276 V CA -1.169 61.232 62.300 0.168 0.000 0.940 276 V CB 1.546 33.496 31.823 0.211 0.000 1.021 276 V HN 0.822 nan 8.190 nan 0.000 0.426 277 K N 2.934 123.417 120.400 0.137 0.000 2.436 277 K HA 0.515 4.836 4.320 0.002 0.000 0.282 277 K C 0.624 177.301 176.600 0.128 0.000 1.044 277 K CA 0.518 56.874 56.287 0.114 0.000 1.028 277 K CB 1.037 33.595 32.500 0.097 0.000 0.919 277 K HN 1.129 nan 8.250 nan 0.000 0.474 278 A N 6.546 129.405 122.820 0.064 0.000 2.520 278 A HA 0.148 4.469 4.320 0.002 0.000 0.245 278 A C -1.948 175.634 177.584 -0.004 0.000 1.072 278 A CA -1.050 50.977 52.037 -0.018 0.000 0.761 278 A CB -0.340 18.631 19.000 -0.048 0.000 1.004 278 A HN 0.473 nan 8.150 nan 0.000 0.499 279 P HA 0.439 nan 4.420 nan 0.000 0.272 279 P C 0.734 178.023 177.300 -0.019 0.000 1.230 279 P CA 1.273 64.383 63.100 0.018 0.000 0.788 279 P CB 0.813 32.530 31.700 0.027 0.000 0.949 280 G N 1.108 109.917 108.800 0.015 0.000 2.568 280 G HA2 0.043 4.005 3.960 0.002 0.000 0.222 280 G HA3 0.043 4.005 3.960 0.002 0.000 0.222 280 G C -1.048 173.900 174.900 0.081 0.000 1.321 280 G CA -0.105 44.939 45.100 -0.094 0.000 0.893 280 G HN 0.758 nan 8.290 nan 0.000 0.569 281 F N -2.756 117.200 119.950 0.009 0.000 2.708 281 F HA 0.702 5.231 4.527 0.002 0.000 0.309 281 F C 0.732 176.538 175.800 0.011 0.000 1.120 281 F CA 0.158 58.165 58.000 0.012 0.000 0.978 281 F CB 0.830 39.841 39.000 0.018 0.000 1.283 281 F HN 2.528 nan 8.300 nan 0.000 0.439 282 G N 1.621 110.543 108.800 0.202 0.000 2.633 282 G HA2 -0.253 3.708 3.960 0.002 0.000 0.263 282 G HA3 -0.253 3.708 3.960 0.002 0.000 0.263 282 G C 0.184 175.091 174.900 0.011 0.000 1.310 282 G CA 0.305 45.464 45.100 0.098 0.000 0.914 282 G HN 0.987 nan 8.290 nan 0.000 0.569 283 D N 0.055 120.453 120.400 -0.003 0.000 2.384 283 D HA -0.078 4.563 4.640 0.002 0.000 0.222 283 D C 2.235 178.496 176.300 -0.064 0.000 0.976 283 D CA 0.842 54.826 54.000 -0.026 0.000 0.915 283 D CB -0.023 40.768 40.800 -0.016 0.000 0.896 283 D HN 0.483 nan 8.370 nan 0.000 0.523 284 R N 1.307 121.744 120.500 -0.105 0.000 2.127 284 R HA -0.159 4.182 4.340 0.002 0.000 0.238 284 R C 2.263 178.476 176.300 -0.146 0.000 1.134 284 R CA 0.973 56.976 56.100 -0.162 0.000 0.975 284 R CB -0.002 30.129 30.300 -0.281 0.000 0.865 284 R HN 0.064 nan 8.270 nan 0.000 0.447 285 R N 0.817 121.246 120.500 -0.118 0.000 2.082 285 R HA -0.171 4.170 4.340 0.002 0.000 0.234 285 R C 1.998 178.248 176.300 -0.083 0.000 1.136 285 R CA 2.147 58.193 56.100 -0.090 0.000 0.935 285 R CB -0.071 30.204 30.300 -0.043 0.000 0.842 285 R HN 0.174 nan 8.270 nan 0.000 0.430 286 K N -0.106 120.256 120.400 -0.063 0.000 2.044 286 K HA -0.182 4.139 4.320 0.002 0.000 0.210 286 K C 2.148 178.708 176.600 -0.066 0.000 1.049 286 K CA 1.678 57.931 56.287 -0.056 0.000 0.927 286 K CB -0.283 32.194 32.500 -0.040 0.000 0.713 286 K HN 0.273 nan 8.250 nan 0.000 0.443 287 A N 1.338 124.114 122.820 -0.074 0.000 1.908 287 A HA -0.186 4.135 4.320 0.002 0.000 0.218 287 A C 2.155 179.688 177.584 -0.085 0.000 1.181 287 A CA 1.775 53.767 52.037 -0.076 0.000 0.627 287 A CB -0.467 18.483 19.000 -0.085 0.000 0.818 287 A HN 0.214 nan 8.150 nan 0.000 0.445 288 M N -1.625 117.912 119.600 -0.104 0.000 2.236 288 M HA 0.003 4.484 4.480 0.002 0.000 0.266 288 M C 2.121 178.343 176.300 -0.130 0.000 1.070 288 M CA 0.910 56.140 55.300 -0.116 0.000 1.137 288 M CB -0.315 32.204 32.600 -0.135 0.000 1.378 288 M HN 0.403 nan 8.290 nan 0.000 0.426 289 L N 0.876 122.022 121.223 -0.129 0.000 2.131 289 L HA -0.189 4.152 4.340 0.002 0.000 0.210 289 L C 2.432 179.247 176.870 -0.091 0.000 1.092 289 L CA 1.847 56.608 54.840 -0.130 0.000 0.759 289 L CB -0.678 41.317 42.059 -0.107 0.000 0.903 289 L HN 0.261 nan 8.230 nan 0.000 0.435 290 Q N -0.487 119.270 119.800 -0.071 0.000 2.224 290 Q HA -0.179 4.163 4.340 0.002 0.000 0.203 290 Q C 1.644 177.615 176.000 -0.049 0.000 0.970 290 Q CA 1.802 57.575 55.803 -0.051 0.000 0.865 290 Q CB -0.194 28.518 28.738 -0.044 0.000 0.922 290 Q HN 0.570 nan 8.270 nan 0.000 0.445 291 D N -0.200 120.164 120.400 -0.060 0.000 2.123 291 D HA -0.098 4.543 4.640 0.002 0.000 0.200 291 D C 1.843 178.116 176.300 -0.046 0.000 0.976 291 D CA 1.143 55.113 54.000 -0.050 0.000 0.831 291 D CB -0.135 40.632 40.800 -0.055 0.000 0.974 291 D HN 0.387 nan 8.370 nan 0.000 0.469 292 I N 1.582 122.109 120.570 -0.072 0.000 2.208 292 I HA -0.253 3.919 4.170 0.002 0.000 0.245 292 I C 2.600 178.698 176.117 -0.030 0.000 1.097 292 I CA 1.008 62.270 61.300 -0.064 0.000 1.363 292 I CB -0.361 37.557 38.000 -0.136 0.000 1.051 292 I HN -0.087 nan 8.210 nan 0.000 0.413 293 A N 0.744 123.544 122.820 -0.033 0.000 1.883 293 A HA -0.208 4.114 4.320 0.002 0.000 0.217 293 A C 2.402 179.983 177.584 -0.005 0.000 1.186 293 A CA 2.586 54.615 52.037 -0.014 0.000 0.624 293 A CB -1.153 17.836 19.000 -0.019 0.000 0.822 293 A HN 0.398 nan 8.150 nan 0.000 0.444 294 T N -0.198 114.350 114.554 -0.011 0.000 2.867 294 T HA -0.067 4.284 4.350 0.002 0.000 0.268 294 T C 1.775 176.475 174.700 0.000 0.000 1.057 294 T CA 1.332 63.428 62.100 -0.005 0.000 1.136 294 T CB -0.247 68.615 68.868 -0.010 0.000 0.874 294 T HN 0.275 nan 8.240 nan 0.000 0.466 295 L N 1.775 122.999 121.223 0.000 0.000 2.109 295 L HA -0.023 4.319 4.340 0.002 0.000 0.207 295 L C 2.579 179.459 176.870 0.016 0.000 1.086 295 L CA 1.744 56.589 54.840 0.008 0.000 0.760 295 L CB -0.724 41.342 42.059 0.011 0.000 0.910 295 L HN 0.373 nan 8.230 nan 0.000 0.437 296 T N -4.541 110.025 114.554 0.021 0.000 3.065 296 T HA 0.292 4.644 4.350 0.002 0.000 0.252 296 T C 1.439 176.160 174.700 0.035 0.000 1.099 296 T CA 0.341 62.460 62.100 0.032 0.000 1.063 296 T CB -0.000 68.894 68.868 0.044 0.000 0.948 296 T HN 0.531 nan 8.240 nan 0.000 0.506 297 G N 0.592 109.408 108.800 0.027 0.000 2.136 297 G HA2 -0.012 3.949 3.960 0.002 0.000 0.242 297 G HA3 -0.012 3.949 3.960 0.002 0.000 0.242 297 G C 0.353 175.274 174.900 0.036 0.000 0.989 297 G CA -0.179 44.939 45.100 0.030 0.000 0.682 297 G HN 1.014 nan 8.290 nan 0.000 0.522 298 G N -1.215 107.606 108.800 0.033 0.000 2.531 298 G HA2 0.685 4.646 3.960 0.002 0.000 0.313 298 G HA3 0.685 4.646 3.960 0.002 0.000 0.313 298 G C -0.086 174.824 174.900 0.016 0.000 1.238 298 G CA 0.333 45.454 45.100 0.035 0.000 0.994 298 G HN 0.559 nan 8.290 nan 0.000 0.493 299 T N -0.123 114.438 114.554 0.012 0.000 2.875 299 T HA 0.431 4.782 4.350 0.002 0.000 0.284 299 T C -0.050 174.648 174.700 -0.003 0.000 0.995 299 T CA -0.281 61.820 62.100 0.002 0.000 1.060 299 T CB 1.756 70.623 68.868 -0.001 0.000 0.967 299 T HN 0.262 nan 8.240 nan 0.000 0.476 300 V N 4.000 123.909 119.914 -0.010 0.000 2.364 300 V HA 0.276 4.397 4.120 0.002 0.000 0.272 300 V C -0.087 176.000 176.094 -0.012 0.000 1.036 300 V CA -0.695 61.597 62.300 -0.015 0.000 0.880 300 V CB 0.509 32.318 31.823 -0.023 0.000 0.991 300 V HN 0.707 nan 8.190 nan 0.000 0.460 301 I N 4.356 124.921 120.570 -0.009 0.000 2.278 301 I HA 0.138 4.309 4.170 0.002 0.000 0.296 301 I C 0.999 177.112 176.117 -0.007 0.000 1.121 301 I CA 0.815 62.111 61.300 -0.007 0.000 1.267 301 I CB 1.209 39.205 38.000 -0.006 0.000 1.447 301 I HN 0.558 nan 8.210 nan 0.000 0.509 302 S N 5.280 120.976 115.700 -0.008 0.000 3.965 302 S HA 0.090 4.561 4.470 0.002 0.000 0.195 302 S C 1.474 176.072 174.600 -0.004 0.000 1.449 302 S CA -0.447 57.749 58.200 -0.006 0.000 0.965 302 S CB -0.433 62.762 63.200 -0.009 0.000 1.459 302 S HN 0.700 nan 8.310 nan 0.000 0.476 303 E N 1.769 121.968 120.200 -0.002 0.000 2.284 303 E HA -0.229 4.123 4.350 0.002 0.000 0.200 303 E C 1.322 177.923 176.600 0.001 0.000 1.008 303 E CA 1.291 57.691 56.400 -0.001 0.000 0.829 303 E CB 0.055 29.755 29.700 0.001 0.000 0.744 303 E HN 0.779 nan 8.360 nan 0.000 0.491 304 E N 0.244 120.445 120.200 0.002 0.000 2.114 304 E HA -0.207 4.145 4.350 0.002 0.000 0.199 304 E C 1.799 178.400 176.600 0.001 0.000 1.008 304 E CA 1.549 57.950 56.400 0.003 0.000 0.810 304 E CB -0.397 29.305 29.700 0.004 0.000 0.739 304 E HN 0.553 nan 8.360 nan 0.000 0.456 305 I N -3.167 117.403 120.570 -0.000 0.000 3.801 305 I HA 0.424 4.596 4.170 0.002 0.000 0.338 305 I C 0.806 176.922 176.117 -0.002 0.000 1.513 305 I CA 0.102 61.401 61.300 -0.001 0.000 1.197 305 I CB 0.096 38.095 38.000 -0.002 0.000 1.300 305 I HN 0.095 nan 8.210 nan 0.000 0.433 306 G N 1.905 110.705 108.800 -0.002 0.000 2.143 306 G HA2 -0.282 3.680 3.960 0.002 0.000 0.249 306 G HA3 -0.282 3.680 3.960 0.002 0.000 0.249 306 G C 0.224 175.122 174.900 -0.003 0.000 0.981 306 G CA -0.027 45.072 45.100 -0.002 0.000 0.665 306 G HN 0.507 nan 8.290 nan 0.000 0.528 307 M N 1.732 121.330 119.600 -0.004 0.000 2.628 307 M HA 0.142 4.623 4.480 0.002 0.000 0.326 307 M C 0.434 176.730 176.300 -0.005 0.000 1.613 307 M CA 0.533 55.830 55.300 -0.005 0.000 1.387 307 M CB -0.029 32.568 32.600 -0.006 0.000 1.761 307 M HN 0.200 nan 8.290 nan 0.000 0.459 308 E N 2.943 123.140 120.200 -0.006 0.000 1.939 308 E HA -0.068 4.283 4.350 0.002 0.000 0.259 308 E C 0.896 177.490 176.600 -0.009 0.000 1.259 308 E CA -0.294 56.102 56.400 -0.007 0.000 0.971 308 E CB 0.406 30.102 29.700 -0.007 0.000 1.055 308 E HN 0.568 nan 8.360 nan 0.000 0.420 309 L N 3.707 124.925 121.223 -0.008 0.000 2.129 309 L HA -0.222 4.120 4.340 0.002 0.000 0.212 309 L C 1.536 178.398 176.870 -0.013 0.000 1.087 309 L CA 1.832 56.666 54.840 -0.010 0.000 0.757 309 L CB -0.195 41.860 42.059 -0.006 0.000 0.896 309 L HN 0.443 nan 8.230 nan 0.000 0.434 310 E N -0.180 120.014 120.200 -0.011 0.000 2.501 310 E HA -0.225 4.126 4.350 0.002 0.000 0.203 310 E C 1.037 177.627 176.600 -0.016 0.000 1.072 310 E CA 1.066 57.458 56.400 -0.013 0.000 0.885 310 E CB -0.103 29.591 29.700 -0.009 0.000 0.813 310 E HN 0.661 nan 8.360 nan 0.000 0.556 311 K N -0.868 119.522 120.400 -0.018 0.000 2.536 311 K HA 0.398 4.719 4.320 0.002 0.000 0.203 311 K C 0.055 176.638 176.600 -0.028 0.000 1.063 311 K CA -0.249 56.025 56.287 -0.021 0.000 1.063 311 K CB 0.927 33.417 32.500 -0.017 0.000 0.843 311 K HN -0.058 nan 8.250 nan 0.000 0.521 312 A N 1.476 124.277 122.820 -0.031 0.000 2.498 312 A HA 0.330 4.651 4.320 0.002 0.000 0.239 312 A C 0.425 177.972 177.584 -0.062 0.000 1.068 312 A CA 0.356 52.368 52.037 -0.041 0.000 0.766 312 A CB 0.017 18.994 19.000 -0.038 0.000 1.003 312 A HN 0.532 nan 8.150 nan 0.000 0.497 313 T N -0.195 114.315 114.554 -0.074 0.000 2.940 313 T HA 0.533 4.885 4.350 0.002 0.000 0.288 313 T C 0.970 175.570 174.700 -0.167 0.000 1.045 313 T CA -0.744 61.294 62.100 -0.102 0.000 1.018 313 T CB 0.672 69.498 68.868 -0.070 0.000 1.151 313 T HN 0.378 nan 8.240 nan 0.000 0.529 314 L N -0.098 120.974 121.223 -0.252 0.000 2.353 314 L HA 0.008 4.349 4.340 0.002 0.000 0.220 314 L C 2.597 179.348 176.870 -0.198 0.000 1.133 314 L CA 1.281 55.842 54.840 -0.465 0.000 0.798 314 L CB -0.529 41.176 42.059 -0.590 0.000 0.922 314 L HN 0.746 nan 8.230 nan 0.000 0.445 315 E N 0.181 120.335 120.200 -0.076 0.000 2.371 315 E HA -0.136 4.215 4.350 0.002 0.000 0.194 315 E C 1.509 178.112 176.600 0.005 0.000 1.012 315 E CA 0.675 57.077 56.400 0.002 0.000 0.860 315 E CB 0.072 29.774 29.700 0.003 0.000 0.811 315 E HN 0.373 nan 8.360 nan 0.000 0.502 316 D N -0.234 120.151 120.400 -0.024 0.000 2.323 316 D HA -0.009 4.633 4.640 0.002 0.000 0.209 316 D C 0.322 176.627 176.300 0.007 0.000 0.973 316 D CA 0.256 54.250 54.000 -0.011 0.000 0.874 316 D CB 0.424 41.209 40.800 -0.025 0.000 0.930 316 D HN 0.251 nan 8.370 nan 0.000 0.521 317 L N 0.722 121.955 121.223 0.016 0.000 2.439 317 L HA 0.352 4.694 4.340 0.002 0.000 0.261 317 L C 1.306 178.254 176.870 0.130 0.000 1.153 317 L CA -0.716 54.165 54.840 0.068 0.000 0.808 317 L CB 0.966 43.062 42.059 0.062 0.000 1.126 317 L HN -0.146 nan 8.230 nan 0.000 0.460 318 G N 0.747 109.621 108.800 0.123 0.000 2.562 318 G HA2 0.497 4.458 3.960 0.002 0.000 0.275 318 G HA3 0.497 4.458 3.960 0.002 0.000 0.275 318 G C -0.801 174.188 174.900 0.148 0.000 1.196 318 G CA -0.311 44.856 45.100 0.111 0.000 0.908 318 G HN 0.632 nan 8.290 nan 0.000 0.524 319 Q N -1.464 118.388 119.800 0.087 0.000 2.501 319 Q HA 0.651 4.992 4.340 0.002 0.000 0.288 319 Q C -0.794 175.213 176.000 0.013 0.000 1.051 319 Q CA -0.909 54.914 55.803 0.032 0.000 0.788 319 Q CB 2.592 31.315 28.738 -0.025 0.000 1.469 319 Q HN 0.835 nan 8.270 nan 0.000 0.416 320 A N 0.326 123.138 122.820 -0.015 0.000 2.593 320 A HA 0.427 4.749 4.320 0.002 0.000 0.290 320 A C -0.211 177.355 177.584 -0.031 0.000 1.126 320 A CA -0.549 51.483 52.037 -0.009 0.000 0.695 320 A CB 1.679 20.687 19.000 0.014 0.000 1.290 320 A HN 0.724 nan 8.150 nan 0.000 0.414 321 K N -0.438 119.949 120.400 -0.022 0.000 1.984 321 K HA -0.002 4.320 4.320 0.002 0.000 0.209 321 K C 0.566 177.151 176.600 -0.025 0.000 1.046 321 K CA 1.420 57.691 56.287 -0.027 0.000 0.934 321 K CB 0.023 32.511 32.500 -0.020 0.000 0.717 321 K HN 0.569 nan 8.250 nan 0.000 0.438 322 R N 0.651 121.141 120.500 -0.016 0.000 2.510 322 R HA 0.235 4.576 4.340 0.002 0.000 0.294 322 R C -1.792 174.500 176.300 -0.013 0.000 1.056 322 R CA -0.473 55.617 56.100 -0.017 0.000 0.918 322 R CB 1.908 32.196 30.300 -0.020 0.000 1.187 322 R HN -0.060 nan 8.270 nan 0.000 0.437 323 V N 5.055 124.963 119.914 -0.011 0.000 2.498 323 V HA 0.358 4.479 4.120 0.002 0.000 0.279 323 V C -0.264 175.803 176.094 -0.044 0.000 1.048 323 V CA -0.404 61.889 62.300 -0.013 0.000 0.967 323 V CB 1.675 33.505 31.823 0.012 0.000 0.988 323 V HN 0.475 nan 8.190 nan 0.000 0.473 324 V N 6.730 126.610 119.914 -0.057 0.000 2.444 324 V HA 0.521 4.642 4.120 0.002 0.000 0.294 324 V C -0.282 175.760 176.094 -0.088 0.000 1.022 324 V CA -0.428 61.827 62.300 -0.074 0.000 0.850 324 V CB 1.701 33.487 31.823 -0.061 0.000 0.992 324 V HN 0.659 nan 8.190 nan 0.000 0.426 325 I N 5.160 125.684 120.570 -0.076 0.000 2.404 325 I HA 0.555 4.727 4.170 0.002 0.000 0.293 325 I C -0.130 176.026 176.117 0.065 0.000 0.992 325 I CA -0.441 60.840 61.300 -0.033 0.000 1.149 325 I CB 1.825 39.849 38.000 0.039 0.000 1.315 325 I HN 0.834 nan 8.210 nan 0.000 0.446 326 N N 4.234 122.932 118.700 -0.003 0.000 2.890 326 N HA 0.307 5.048 4.740 0.002 0.000 0.317 326 N C 0.281 175.688 175.510 -0.172 0.000 1.355 326 N CA -1.046 52.024 53.050 0.033 0.000 0.803 326 N CB 0.787 39.254 38.487 -0.033 0.000 1.465 326 N HN 0.378 nan 8.380 nan 0.000 0.591 327 K N -1.299 119.038 120.400 -0.106 0.000 2.442 327 K HA -0.100 4.222 4.320 0.002 0.000 0.199 327 K C -0.465 175.966 176.600 -0.282 0.000 1.044 327 K CA 1.347 57.506 56.287 -0.213 0.000 0.941 327 K CB -0.109 32.370 32.500 -0.036 0.000 0.759 327 K HN 0.551 nan 8.250 nan 0.000 0.472 328 D N -1.004 119.252 120.400 -0.240 0.000 2.335 328 D HA 0.008 4.650 4.640 0.002 0.000 0.284 328 D C 0.187 176.368 176.300 -0.199 0.000 1.096 328 D CA 0.455 54.341 54.000 -0.190 0.000 0.844 328 D CB 1.189 41.921 40.800 -0.114 0.000 1.454 328 D HN 0.255 nan 8.370 nan 0.000 0.526 329 T N -1.603 112.814 114.554 -0.229 0.000 2.816 329 T HA 0.557 4.909 4.350 0.002 0.000 0.299 329 T C -0.722 173.767 174.700 -0.352 0.000 1.230 329 T CA -0.546 61.394 62.100 -0.267 0.000 1.007 329 T CB 2.418 71.169 68.868 -0.194 0.000 1.289 329 T HN -0.287 nan 8.240 nan 0.000 0.508 330 T N 2.178 116.376 114.554 -0.593 0.000 2.786 330 T HA 0.626 4.977 4.350 0.002 0.000 0.283 330 T C -0.553 173.857 174.700 -0.484 0.000 0.992 330 T CA -0.501 61.217 62.100 -0.636 0.000 0.954 330 T CB 1.260 69.470 68.868 -1.096 0.000 0.934 330 T HN 0.800 nan 8.240 nan 0.000 0.440 331 T N 4.095 118.513 114.554 -0.227 0.000 2.794 331 T HA 0.560 4.912 4.350 0.002 0.000 0.280 331 T C 0.087 174.763 174.700 -0.041 0.000 0.987 331 T CA -0.582 61.456 62.100 -0.103 0.000 0.993 331 T CB 0.627 69.450 68.868 -0.075 0.000 0.939 331 T HN 0.447 nan 8.240 nan 0.000 0.449 332 I N 3.988 124.568 120.570 0.017 0.000 2.359 332 I HA 0.367 4.539 4.170 0.002 0.000 0.284 332 I C -0.202 175.929 176.117 0.022 0.000 1.018 332 I CA -0.683 60.641 61.300 0.040 0.000 1.173 332 I CB 0.900 38.956 38.000 0.093 0.000 1.326 332 I HN 0.489 nan 8.210 nan 0.000 0.462 333 I N 5.880 126.454 120.570 0.006 0.000 2.322 333 I HA 0.084 4.255 4.170 0.002 0.000 0.292 333 I C 0.156 176.274 176.117 0.003 0.000 1.060 333 I CA -0.012 61.288 61.300 0.001 0.000 1.309 333 I CB 0.151 38.146 38.000 -0.008 0.000 1.415 333 I HN 0.634 nan 8.210 nan 0.000 0.492 334 D N 5.623 126.026 120.400 0.006 0.000 3.038 334 D HA -0.139 4.503 4.640 0.002 0.000 0.229 334 D C 0.531 176.837 176.300 0.009 0.000 1.182 334 D CA 0.845 54.848 54.000 0.005 0.000 0.852 334 D CB -0.266 40.533 40.800 -0.001 0.000 0.932 334 D HN 0.808 nan 8.370 nan 0.000 0.406 335 G N 1.099 109.910 108.800 0.020 0.000 2.272 335 G HA2 0.292 4.253 3.960 0.002 0.000 0.247 335 G HA3 0.292 4.253 3.960 0.002 0.000 0.247 335 G C 1.452 176.362 174.900 0.016 0.000 1.272 335 G CA -0.134 44.981 45.100 0.024 0.000 0.921 335 G HN 0.326 nan 8.290 nan 0.000 0.495 336 V N 4.177 124.099 119.914 0.014 0.000 2.251 336 V HA 0.287 4.409 4.120 0.002 0.000 0.230 336 V C 2.174 178.275 176.094 0.011 0.000 1.032 336 V CA 1.801 64.106 62.300 0.008 0.000 0.997 336 V CB -1.647 30.180 31.823 0.005 0.000 0.643 336 V HN 1.734 nan 8.190 nan 0.000 0.462 337 G N 0.084 108.893 108.800 0.015 0.000 2.916 337 G HA2 -0.215 3.747 3.960 0.002 0.000 0.533 337 G HA3 -0.215 3.747 3.960 0.002 0.000 0.533 337 G C -0.629 174.277 174.900 0.010 0.000 1.516 337 G CA -0.141 44.968 45.100 0.014 0.000 0.944 337 G HN 0.646 nan 8.290 nan 0.000 0.555 338 E N 0.429 120.634 120.200 0.009 0.000 2.129 338 E HA 0.378 4.729 4.350 0.002 0.000 0.283 338 E C 1.108 177.711 176.600 0.004 0.000 1.080 338 E CA 0.184 56.588 56.400 0.007 0.000 0.867 338 E CB 1.438 31.142 29.700 0.006 0.000 1.056 338 E HN 0.660 nan 8.360 nan 0.000 0.404 339 E N 3.711 123.913 120.200 0.004 0.000 2.114 339 E HA -0.316 4.036 4.350 0.002 0.000 0.199 339 E C 1.663 178.264 176.600 0.001 0.000 1.008 339 E CA 2.025 58.427 56.400 0.002 0.000 0.810 339 E CB -0.040 29.661 29.700 0.002 0.000 0.739 339 E HN 0.621 nan 8.360 nan 0.000 0.456 340 A N 0.172 122.993 122.820 0.001 0.000 1.969 340 A HA 0.037 4.359 4.320 0.002 0.000 0.218 340 A C 2.344 179.928 177.584 -0.000 0.000 1.169 340 A CA 1.752 53.789 52.037 0.001 0.000 0.635 340 A CB -0.697 18.304 19.000 0.001 0.000 0.810 340 A HN 0.392 nan 8.150 nan 0.000 0.445 341 A N -0.203 122.617 122.820 0.000 0.000 1.970 341 A HA 0.084 4.405 4.320 0.002 0.000 0.216 341 A C 2.042 179.625 177.584 -0.002 0.000 1.170 341 A CA 1.118 53.155 52.037 -0.001 0.000 0.645 341 A CB -0.481 18.519 19.000 0.000 0.000 0.816 341 A HN 0.465 nan 8.150 nan 0.000 0.447 342 I N -0.409 120.161 120.570 -0.001 0.000 2.142 342 I HA -0.335 3.837 4.170 0.002 0.000 0.240 342 I C 2.792 178.908 176.117 -0.003 0.000 1.078 342 I CA 1.631 62.930 61.300 -0.002 0.000 1.343 342 I CB -0.493 37.508 38.000 0.001 0.000 1.046 342 I HN 0.405 nan 8.210 nan 0.000 0.405 343 Q N 0.511 120.310 119.800 -0.002 0.000 2.096 343 Q HA -0.187 4.154 4.340 0.002 0.000 0.204 343 Q C 2.370 178.368 176.000 -0.004 0.000 0.982 343 Q CA 1.754 57.555 55.803 -0.002 0.000 0.850 343 Q CB -0.520 28.217 28.738 -0.001 0.000 0.901 343 Q HN 0.679 nan 8.270 nan 0.000 0.422 344 G N 0.907 109.705 108.800 -0.004 0.000 2.440 344 G HA2 -0.284 3.677 3.960 0.002 0.000 0.218 344 G HA3 -0.284 3.677 3.960 0.002 0.000 0.218 344 G C 1.540 176.436 174.900 -0.007 0.000 1.154 344 G CA 0.470 45.567 45.100 -0.005 0.000 0.767 344 G HN 0.079 nan 8.290 nan 0.000 0.552 345 R N 0.290 120.785 120.500 -0.008 0.000 2.075 345 R HA 0.010 4.352 4.340 0.002 0.000 0.232 345 R C 2.774 179.066 176.300 -0.013 0.000 1.126 345 R CA 0.998 57.091 56.100 -0.012 0.000 0.963 345 R CB -0.992 29.300 30.300 -0.013 0.000 0.858 345 R HN 0.303 nan 8.270 nan 0.000 0.435 346 V N 1.044 120.952 119.914 -0.010 0.000 2.295 346 V HA -0.243 3.878 4.120 0.002 0.000 0.246 346 V C 2.530 178.618 176.094 -0.009 0.000 1.049 346 V CA 1.974 64.268 62.300 -0.010 0.000 1.024 346 V CB -0.889 30.930 31.823 -0.007 0.000 0.648 346 V HN 0.397 nan 8.190 nan 0.000 0.447 347 A N -0.994 121.821 122.820 -0.008 0.000 1.933 347 A HA -0.291 4.031 4.320 0.002 0.000 0.218 347 A C 2.256 179.834 177.584 -0.009 0.000 1.175 347 A CA 2.001 54.034 52.037 -0.007 0.000 0.628 347 A CB -0.533 18.464 19.000 -0.005 0.000 0.814 347 A HN 0.605 nan 8.150 nan 0.000 0.444 348 Q N -0.386 119.408 119.800 -0.010 0.000 2.124 348 Q HA -0.136 4.205 4.340 0.002 0.000 0.202 348 Q C 1.937 177.928 176.000 -0.016 0.000 0.977 348 Q CA 1.609 57.404 55.803 -0.012 0.000 0.850 348 Q CB -0.220 28.510 28.738 -0.013 0.000 0.901 348 Q HN 0.722 nan 8.270 nan 0.000 0.429 349 I N 0.041 120.600 120.570 -0.018 0.000 2.252 349 I HA -0.267 3.904 4.170 0.002 0.000 0.245 349 I C 2.699 178.805 176.117 -0.018 0.000 1.102 349 I CA 0.998 62.285 61.300 -0.022 0.000 1.385 349 I CB -0.296 37.689 38.000 -0.025 0.000 1.064 349 I HN 0.201 nan 8.210 nan 0.000 0.414 350 R N 0.482 120.974 120.500 -0.014 0.000 2.105 350 R HA -0.233 4.109 4.340 0.002 0.000 0.239 350 R C 2.434 178.728 176.300 -0.009 0.000 1.135 350 R CA 1.504 57.598 56.100 -0.010 0.000 0.967 350 R CB -0.177 30.119 30.300 -0.007 0.000 0.861 350 R HN 0.332 nan 8.270 nan 0.000 0.442 351 Q N 0.585 120.380 119.800 -0.009 0.000 2.123 351 Q HA -0.180 4.162 4.340 0.002 0.000 0.199 351 Q C 1.808 177.802 176.000 -0.010 0.000 0.966 351 Q CA 1.653 57.451 55.803 -0.008 0.000 0.845 351 Q CB 0.086 28.819 28.738 -0.007 0.000 0.907 351 Q HN 0.508 nan 8.270 nan 0.000 0.439 352 Q N -0.115 119.677 119.800 -0.014 0.000 2.124 352 Q HA -0.084 4.257 4.340 0.002 0.000 0.202 352 Q C 2.197 178.186 176.000 -0.018 0.000 0.977 352 Q CA 1.256 57.048 55.803 -0.017 0.000 0.850 352 Q CB -0.039 28.684 28.738 -0.024 0.000 0.901 352 Q HN 0.400 nan 8.270 nan 0.000 0.429 353 I N 0.837 121.397 120.570 -0.017 0.000 2.361 353 I HA -0.215 3.956 4.170 0.002 0.000 0.251 353 I C 1.767 177.880 176.117 -0.007 0.000 1.133 353 I CA 0.916 62.208 61.300 -0.014 0.000 1.413 353 I CB -0.140 37.852 38.000 -0.013 0.000 1.073 353 I HN 0.142 nan 8.210 nan 0.000 0.424 354 E N 1.032 121.229 120.200 -0.005 0.000 2.512 354 E HA -0.152 4.199 4.350 0.002 0.000 0.195 354 E C 1.227 177.826 176.600 -0.001 0.000 1.083 354 E CA 0.559 56.958 56.400 -0.002 0.000 0.873 354 E CB 0.068 29.767 29.700 -0.002 0.000 0.897 354 E HN 0.717 nan 8.360 nan 0.000 0.514 355 E N -1.165 119.033 120.200 -0.004 0.000 2.653 355 E HA 0.165 4.516 4.350 0.002 0.000 0.218 355 E C 0.278 176.877 176.600 -0.002 0.000 0.911 355 E CA -0.112 56.287 56.400 -0.002 0.000 1.355 355 E CB 0.118 29.815 29.700 -0.004 0.000 1.314 355 E HN -0.001 nan 8.360 nan 0.000 0.686 356 A N 2.081 124.898 122.820 -0.006 0.000 2.522 356 A HA 0.160 4.481 4.320 0.002 0.000 0.256 356 A C 1.123 178.709 177.584 0.003 0.000 1.086 356 A CA 0.601 52.634 52.037 -0.006 0.000 0.763 356 A CB -0.027 18.963 19.000 -0.016 0.000 1.024 356 A HN 0.345 nan 8.150 nan 0.000 0.502 357 T N -0.143 114.415 114.554 0.007 0.000 3.252 357 T HA 0.324 4.675 4.350 0.002 0.000 0.250 357 T C 0.502 175.216 174.700 0.023 0.000 1.123 357 T CA 0.413 62.521 62.100 0.013 0.000 1.006 357 T CB -0.953 67.922 68.868 0.012 0.000 0.992 357 T HN 1.496 nan 8.240 nan 0.000 0.547 358 S N -1.094 114.624 115.700 0.029 0.000 2.588 358 S HA 0.369 4.840 4.470 0.002 0.000 0.269 358 S C -0.433 174.197 174.600 0.051 0.000 1.157 358 S CA -0.791 57.437 58.200 0.047 0.000 0.824 358 S CB 1.342 64.586 63.200 0.073 0.000 1.126 358 S HN -0.085 nan 8.310 nan 0.000 0.464 359 D N 0.249 120.688 120.400 0.064 0.000 2.178 359 D HA -0.048 4.593 4.640 0.002 0.000 0.201 359 D C 1.201 177.562 176.300 0.102 0.000 0.980 359 D CA 1.442 55.483 54.000 0.068 0.000 0.842 359 D CB -0.241 40.598 40.800 0.066 0.000 0.948 359 D HN 0.624 nan 8.370 nan 0.000 0.472 360 Y N 1.735 122.034 120.300 -0.002 0.000 2.395 360 Y HA -0.089 4.463 4.550 0.003 0.000 0.293 360 Y C 1.711 177.605 175.900 -0.010 0.000 1.123 360 Y CA 0.989 59.087 58.100 -0.004 0.000 1.227 360 Y CB 0.155 38.614 38.460 -0.002 0.000 1.012 360 Y HN -0.125 nan 8.280 nan 0.000 0.552 361 D N -0.359 120.020 120.400 -0.035 0.000 2.123 361 D HA -0.135 4.507 4.640 0.002 0.000 0.200 361 D C 2.142 178.379 176.300 -0.106 0.000 0.976 361 D CA 1.037 54.980 54.000 -0.096 0.000 0.831 361 D CB -0.090 40.697 40.800 -0.022 0.000 0.974 361 D HN 0.377 nan 8.370 nan 0.000 0.469 362 R N 0.936 121.402 120.500 -0.057 0.000 2.083 362 R HA -0.136 4.206 4.340 0.002 0.000 0.237 362 R C 2.260 178.515 176.300 -0.075 0.000 1.137 362 R CA 1.078 57.149 56.100 -0.048 0.000 0.951 362 R CB -0.147 30.145 30.300 -0.013 0.000 0.851 362 R HN 0.262 nan 8.270 nan 0.000 0.434 363 E N 0.931 121.072 120.200 -0.098 0.000 2.021 363 E HA -0.235 4.117 4.350 0.002 0.000 0.200 363 E C 1.594 178.090 176.600 -0.172 0.000 1.015 363 E CA 1.927 58.255 56.400 -0.119 0.000 0.824 363 E CB -0.056 29.573 29.700 -0.117 0.000 0.762 363 E HN 0.337 nan 8.360 nan 0.000 0.454 364 K N 0.639 120.865 120.400 -0.289 0.000 2.616 364 K HA -0.061 4.260 4.320 0.002 0.000 0.192 364 K C 1.321 177.822 176.600 -0.165 0.000 1.031 364 K CA 0.494 56.626 56.287 -0.258 0.000 1.004 364 K CB 0.300 32.576 32.500 -0.374 0.000 0.810 364 K HN 0.106 nan 8.250 nan 0.000 0.497 365 L N 1.393 122.541 121.223 -0.125 0.000 2.453 365 L HA -0.047 4.295 4.340 0.002 0.000 0.190 365 L C 2.785 179.617 176.870 -0.063 0.000 1.093 365 L CA 1.344 56.134 54.840 -0.083 0.000 0.834 365 L CB -1.071 40.948 42.059 -0.067 0.000 1.090 365 L HN 0.415 nan 8.230 nan 0.000 0.489 366 Q N 0.088 119.855 119.800 -0.055 0.000 2.167 366 Q HA -0.215 4.126 4.340 0.002 0.000 0.202 366 Q C 1.444 177.425 176.000 -0.032 0.000 0.970 366 Q CA 1.509 57.291 55.803 -0.035 0.000 0.855 366 Q CB -0.377 28.348 28.738 -0.023 0.000 0.911 366 Q HN 0.457 nan 8.270 nan 0.000 0.438 367 E N 0.779 120.953 120.200 -0.043 0.000 2.208 367 E HA -0.224 4.128 4.350 0.002 0.000 0.202 367 E C 2.003 178.585 176.600 -0.029 0.000 1.014 367 E CA 1.777 58.155 56.400 -0.036 0.000 0.819 367 E CB 0.034 29.699 29.700 -0.058 0.000 0.735 367 E HN 0.431 nan 8.360 nan 0.000 0.469 368 R N -0.459 120.018 120.500 -0.038 0.000 2.156 368 R HA -0.013 4.329 4.340 0.002 0.000 0.207 368 R C 2.414 178.701 176.300 -0.021 0.000 1.040 368 R CA 0.802 56.881 56.100 -0.034 0.000 1.013 368 R CB 0.158 30.428 30.300 -0.051 0.000 0.931 368 R HN 0.108 nan 8.270 nan 0.000 0.465 369 V N -1.437 118.465 119.914 -0.020 0.000 2.667 369 V HA 0.043 4.164 4.120 0.002 0.000 0.252 369 V C 2.263 178.353 176.094 -0.006 0.000 1.065 369 V CA 1.389 63.681 62.300 -0.013 0.000 1.083 369 V CB -0.784 31.031 31.823 -0.013 0.000 0.692 369 V HN 0.208 nan 8.190 nan 0.000 0.468 370 A N 1.086 123.903 122.820 -0.005 0.000 1.883 370 A HA -0.215 4.106 4.320 0.002 0.000 0.217 370 A C 2.195 179.784 177.584 0.007 0.000 1.186 370 A CA 2.189 54.227 52.037 0.001 0.000 0.624 370 A CB -0.572 18.429 19.000 0.001 0.000 0.822 370 A HN 0.605 nan 8.150 nan 0.000 0.444 371 K N -0.790 119.616 120.400 0.011 0.000 2.522 371 K HA 0.303 4.624 4.320 0.002 0.000 0.194 371 K C 0.852 177.466 176.600 0.022 0.000 1.026 371 K CA 0.102 56.404 56.287 0.025 0.000 1.119 371 K CB -0.049 32.474 32.500 0.038 0.000 0.856 371 K HN 0.478 nan 8.250 nan 0.000 0.513 372 L N -1.551 119.678 121.223 0.010 0.000 2.675 372 L HA 0.207 4.548 4.340 0.002 0.000 0.178 372 L C 1.545 178.419 176.870 0.007 0.000 1.135 372 L CA 0.526 55.371 54.840 0.008 0.000 0.855 372 L CB 0.289 42.348 42.059 -0.001 0.000 1.235 372 L HN 0.061 nan 8.230 nan 0.000 0.499 373 A N -1.295 121.527 122.820 0.003 0.000 2.644 373 A HA 0.332 4.653 4.320 0.002 0.000 0.193 373 A C 1.677 179.262 177.584 0.001 0.000 1.464 373 A CA 0.591 52.629 52.037 0.002 0.000 1.095 373 A CB -0.326 18.674 19.000 0.001 0.000 1.405 373 A HN 0.278 nan 8.150 nan 0.000 0.558 374 G N 0.278 109.078 108.800 0.001 0.000 2.394 374 G HA2 0.429 4.391 3.960 0.002 0.000 0.215 374 G HA3 0.429 4.391 3.960 0.002 0.000 0.215 374 G C 1.162 176.063 174.900 0.001 0.000 1.165 374 G CA 0.831 45.931 45.100 0.000 0.000 0.784 374 G HN 1.885 nan 8.290 nan 0.000 0.535 375 G N -2.060 106.741 108.800 0.002 0.000 2.746 375 G HA2 0.161 4.122 3.960 0.002 0.000 0.685 375 G HA3 0.161 4.122 3.960 0.002 0.000 0.685 375 G C -0.957 173.943 174.900 0.001 0.000 1.350 375 G CA -0.421 44.680 45.100 0.002 0.000 0.837 375 G HN 1.055 nan 8.290 nan 0.000 0.564 376 V N 0.513 120.427 119.914 0.000 0.000 2.569 376 V HA 0.792 4.913 4.120 0.002 0.000 0.301 376 V C 0.592 176.684 176.094 -0.005 0.000 1.044 376 V CA -0.015 62.285 62.300 -0.001 0.000 0.874 376 V CB 1.244 33.068 31.823 0.002 0.000 1.002 376 V HN 2.204 nan 8.190 nan 0.000 0.424 377 A N 4.396 127.212 122.820 -0.007 0.000 2.337 377 A HA 0.992 5.313 4.320 0.002 0.000 0.331 377 A C -0.942 176.635 177.584 -0.012 0.000 1.137 377 A CA -0.657 51.374 52.037 -0.010 0.000 0.807 377 A CB 1.873 20.866 19.000 -0.011 0.000 1.250 377 A HN 0.813 nan 8.150 nan 0.000 0.468 378 V N 2.141 122.047 119.914 -0.013 0.000 2.733 378 V HA 0.352 4.473 4.120 0.002 0.000 0.306 378 V C -0.765 175.321 176.094 -0.014 0.000 1.084 378 V CA -0.146 62.146 62.300 -0.013 0.000 0.905 378 V CB 1.769 33.586 31.823 -0.011 0.000 1.010 378 V HN 0.754 nan 8.190 nan 0.000 0.424 379 I N 4.042 124.602 120.570 -0.016 0.000 2.307 379 I HA 0.360 4.531 4.170 0.002 0.000 0.289 379 I C -0.167 175.942 176.117 -0.013 0.000 1.021 379 I CA -0.648 60.643 61.300 -0.016 0.000 1.224 379 I CB 1.167 39.156 38.000 -0.019 0.000 1.376 379 I HN 0.513 nan 8.210 nan 0.000 0.470 380 K N 5.572 125.965 120.400 -0.011 0.000 2.310 380 K HA 0.286 4.607 4.320 0.002 0.000 0.290 380 K C -0.409 176.186 176.600 -0.009 0.000 1.077 380 K CA -0.276 56.005 56.287 -0.010 0.000 0.922 380 K CB 0.629 33.123 32.500 -0.009 0.000 1.057 380 K HN 0.290 nan 8.250 nan 0.000 0.479 381 V N 2.159 122.068 119.914 -0.008 0.000 2.843 381 V HA 0.319 4.440 4.120 0.002 0.000 0.305 381 V C 0.965 177.055 176.094 -0.006 0.000 1.065 381 V CA -0.142 62.153 62.300 -0.007 0.000 1.116 381 V CB 1.172 32.992 31.823 -0.006 0.000 0.968 381 V HN 0.883 nan 8.190 nan 0.000 0.487 382 G N 1.582 110.378 108.800 -0.006 0.000 2.566 382 G HA2 0.838 4.799 3.960 0.002 0.000 0.311 382 G HA3 0.838 4.799 3.960 0.002 0.000 0.311 382 G C -0.819 174.078 174.900 -0.005 0.000 1.322 382 G CA 0.062 45.158 45.100 -0.005 0.000 0.969 382 G HN 1.272 nan 8.290 nan 0.000 0.490 383 A N 0.197 123.014 122.820 -0.004 0.000 2.515 383 A HA 0.810 5.131 4.320 0.002 0.000 0.292 383 A C 0.519 178.102 177.584 -0.002 0.000 1.065 383 A CA 0.371 52.406 52.037 -0.003 0.000 0.641 383 A CB 0.502 19.501 19.000 -0.002 0.000 1.306 383 A HN 1.934 nan 8.150 nan 0.000 0.441 384 A N -0.571 122.247 122.820 -0.002 0.000 2.030 384 A HA 0.495 4.816 4.320 0.002 0.000 0.215 384 A C 1.169 178.753 177.584 -0.001 0.000 1.164 384 A CA 2.149 54.185 52.037 -0.002 0.000 0.697 384 A CB -0.395 18.603 19.000 -0.002 0.000 0.827 384 A HN 2.093 nan 8.150 nan 0.000 0.457 385 T N -4.776 109.778 114.554 -0.000 0.000 2.831 385 T HA 0.479 4.830 4.350 0.002 0.000 0.287 385 T C 0.447 175.147 174.700 0.002 0.000 1.070 385 T CA 0.047 62.148 62.100 0.001 0.000 1.010 385 T CB 1.692 70.560 68.868 0.001 0.000 1.264 385 T HN 0.104 nan 8.240 nan 0.000 0.532 386 E N -0.270 119.932 120.200 0.003 0.000 2.122 386 E HA -0.063 4.289 4.350 0.002 0.000 0.190 386 E C 2.180 178.783 176.600 0.005 0.000 0.977 386 E CA 1.134 57.536 56.400 0.004 0.000 0.820 386 E CB -0.092 29.611 29.700 0.005 0.000 0.770 386 E HN 0.568 nan 8.360 nan 0.000 0.462 387 V N -0.494 119.423 119.914 0.005 0.000 2.392 387 V HA -0.231 3.891 4.120 0.002 0.000 0.249 387 V C 2.137 178.234 176.094 0.005 0.000 1.059 387 V CA 2.266 64.570 62.300 0.006 0.000 1.051 387 V CB -0.673 31.153 31.823 0.005 0.000 0.658 387 V HN 0.221 nan 8.190 nan 0.000 0.455 388 E N -0.403 119.799 120.200 0.003 0.000 2.112 388 E HA -0.186 4.165 4.350 0.002 0.000 0.190 388 E C 2.116 178.717 176.600 0.002 0.000 0.979 388 E CA 1.265 57.666 56.400 0.002 0.000 0.814 388 E CB -0.132 29.568 29.700 0.000 0.000 0.762 388 E HN 0.559 nan 8.360 nan 0.000 0.460 389 M N 1.183 120.784 119.600 0.002 0.000 2.144 389 M HA -0.187 4.295 4.480 0.002 0.000 0.260 389 M C 1.734 178.036 176.300 0.004 0.000 1.067 389 M CA 1.747 57.048 55.300 0.002 0.000 1.095 389 M CB 0.078 32.679 32.600 0.002 0.000 1.365 389 M HN -0.094 nan 8.290 nan 0.000 0.406 390 K N -0.639 119.765 120.400 0.006 0.000 2.103 390 K HA -0.171 4.150 4.320 0.002 0.000 0.204 390 K C 1.802 178.408 176.600 0.010 0.000 1.052 390 K CA 1.552 57.845 56.287 0.010 0.000 0.945 390 K CB -0.173 32.334 32.500 0.012 0.000 0.722 390 K HN 0.520 nan 8.250 nan 0.000 0.443 391 E N 1.588 121.793 120.200 0.008 0.000 2.072 391 E HA -0.203 4.149 4.350 0.002 0.000 0.190 391 E C 1.827 178.431 176.600 0.006 0.000 0.982 391 E CA 1.328 57.733 56.400 0.008 0.000 0.803 391 E CB -0.096 29.607 29.700 0.006 0.000 0.755 391 E HN -0.035 nan 8.360 nan 0.000 0.453 392 K N 1.340 121.742 120.400 0.002 0.000 2.032 392 K HA -0.161 4.161 4.320 0.002 0.000 0.209 392 K C 2.147 178.746 176.600 -0.002 0.000 1.048 392 K CA 2.133 58.419 56.287 -0.001 0.000 0.927 392 K CB -0.315 32.184 32.500 -0.003 0.000 0.712 392 K HN 0.185 nan 8.250 nan 0.000 0.441 393 K N -0.382 120.017 120.400 -0.000 0.000 2.032 393 K HA -0.163 4.159 4.320 0.002 0.000 0.209 393 K C 1.971 178.572 176.600 0.002 0.000 1.048 393 K CA 1.547 57.833 56.287 -0.001 0.000 0.927 393 K CB -0.387 32.114 32.500 0.003 0.000 0.712 393 K HN 0.243 nan 8.250 nan 0.000 0.441 394 A N 1.462 124.289 122.820 0.012 0.000 1.908 394 A HA -0.191 4.130 4.320 0.002 0.000 0.218 394 A C 2.090 179.686 177.584 0.021 0.000 1.181 394 A CA 1.633 53.684 52.037 0.023 0.000 0.627 394 A CB -0.504 18.512 19.000 0.027 0.000 0.818 394 A HN 0.355 nan 8.150 nan 0.000 0.445 395 R N -0.828 119.678 120.500 0.011 0.000 2.115 395 R HA -0.047 4.295 4.340 0.002 0.000 0.230 395 R C 2.000 178.296 176.300 -0.006 0.000 1.111 395 R CA 1.269 57.373 56.100 0.007 0.000 0.976 395 R CB -0.485 29.817 30.300 0.003 0.000 0.870 395 R HN 0.411 nan 8.270 nan 0.000 0.445 396 V N 1.371 121.275 119.914 -0.016 0.000 2.343 396 V HA -0.230 3.892 4.120 0.002 0.000 0.247 396 V C 1.991 178.044 176.094 -0.069 0.000 1.051 396 V CA 1.793 64.072 62.300 -0.035 0.000 1.036 396 V CB -0.385 31.419 31.823 -0.032 0.000 0.654 396 V HN 0.347 nan 8.190 nan 0.000 0.451 397 E N -0.258 119.901 120.200 -0.069 0.000 2.051 397 E HA -0.256 4.096 4.350 0.002 0.000 0.192 397 E C 2.056 178.560 176.600 -0.159 0.000 0.991 397 E CA 1.472 57.781 56.400 -0.151 0.000 0.799 397 E CB -0.222 29.458 29.700 -0.032 0.000 0.748 397 E HN 0.506 nan 8.360 nan 0.000 0.449 398 D N 0.176 120.594 120.400 0.029 0.000 2.117 398 D HA -0.110 4.531 4.640 0.002 0.000 0.197 398 D C 1.835 178.168 176.300 0.056 0.000 0.987 398 D CA 1.312 55.382 54.000 0.117 0.000 0.829 398 D CB -0.095 40.755 40.800 0.083 0.000 0.961 398 D HN 0.154 nan 8.370 nan 0.000 0.460 399 A N 0.577 123.397 122.820 -0.000 0.000 1.969 399 A HA -0.078 4.243 4.320 0.002 0.000 0.218 399 A C 2.141 179.702 177.584 -0.038 0.000 1.169 399 A CA 0.677 52.708 52.037 -0.011 0.000 0.635 399 A CB -0.518 18.472 19.000 -0.017 0.000 0.810 399 A HN 0.352 nan 8.150 nan 0.000 0.445 400 L N -0.728 120.429 121.223 -0.110 0.000 2.072 400 L HA -0.114 4.227 4.340 0.002 0.000 0.205 400 L C 2.262 179.049 176.870 -0.139 0.000 1.079 400 L CA 2.052 56.799 54.840 -0.155 0.000 0.752 400 L CB -1.223 40.696 42.059 -0.233 0.000 0.906 400 L HN 0.481 nan 8.230 nan 0.000 0.436 401 H N 0.251 119.327 119.070 0.011 0.000 2.321 401 H HA -0.053 4.504 4.556 0.002 0.000 0.300 401 H C 2.220 177.556 175.328 0.013 0.000 1.087 401 H CA 1.467 57.524 56.048 0.014 0.000 1.319 401 H CB -0.464 29.308 29.762 0.018 0.000 1.379 401 H HN 0.427 nan 8.280 nan 0.000 0.501 402 A N 0.947 123.840 122.820 0.121 0.000 1.908 402 A HA -0.201 4.120 4.320 0.002 0.000 0.218 402 A C 2.715 180.324 177.584 0.041 0.000 1.181 402 A CA 2.712 54.790 52.037 0.069 0.000 0.627 402 A CB -1.027 18.002 19.000 0.049 0.000 0.818 402 A HN 0.625 nan 8.150 nan 0.000 0.445 403 T N -2.136 112.433 114.554 0.024 0.000 2.674 403 T HA -0.157 4.194 4.350 0.002 0.000 0.265 403 T C 2.008 176.719 174.700 0.019 0.000 1.039 403 T CA 1.106 63.213 62.100 0.012 0.000 1.150 403 T CB -0.387 68.480 68.868 -0.002 0.000 0.864 403 T HN 0.363 nan 8.240 nan 0.000 0.427 404 R N 1.790 122.306 120.500 0.026 0.000 2.096 404 R HA 0.048 4.389 4.340 0.002 0.000 0.240 404 R C 2.950 179.274 176.300 0.040 0.000 1.139 404 R CA 1.643 57.764 56.100 0.035 0.000 0.952 404 R CB -1.353 28.979 30.300 0.052 0.000 0.854 404 R HN 0.595 nan 8.270 nan 0.000 0.436 405 A N 0.976 123.827 122.820 0.052 0.000 1.933 405 A HA -0.088 4.233 4.320 0.002 0.000 0.218 405 A C 2.367 179.967 177.584 0.026 0.000 1.175 405 A CA 1.847 53.909 52.037 0.043 0.000 0.628 405 A CB -0.457 18.574 19.000 0.052 0.000 0.814 405 A HN 0.390 nan 8.150 nan 0.000 0.444 406 A N -0.745 122.089 122.820 0.023 0.000 1.929 406 A HA 0.081 4.403 4.320 0.002 0.000 0.216 406 A C 2.190 179.782 177.584 0.012 0.000 1.176 406 A CA 1.520 53.566 52.037 0.014 0.000 0.628 406 A CB -0.783 18.224 19.000 0.012 0.000 0.816 406 A HN 0.349 nan 8.150 nan 0.000 0.444 407 V N 1.286 121.208 119.914 0.013 0.000 2.343 407 V HA -0.290 3.831 4.120 0.002 0.000 0.247 407 V C 2.580 178.680 176.094 0.011 0.000 1.051 407 V CA 2.367 64.674 62.300 0.011 0.000 1.036 407 V CB -0.903 30.926 31.823 0.010 0.000 0.654 407 V HN 0.919 nan 8.190 nan 0.000 0.451 408 E N 0.175 120.384 120.200 0.014 0.000 2.158 408 E HA -0.209 4.143 4.350 0.002 0.000 0.191 408 E C 1.939 178.545 176.600 0.010 0.000 0.982 408 E CA 1.540 57.948 56.400 0.013 0.000 0.823 408 E CB -0.074 29.637 29.700 0.018 0.000 0.766 408 E HN 0.686 nan 8.360 nan 0.000 0.468 409 E N 0.102 120.307 120.200 0.009 0.000 2.571 409 E HA 0.217 4.568 4.350 0.002 0.000 0.222 409 E C 0.247 176.848 176.600 0.003 0.000 0.904 409 E CA 0.393 56.796 56.400 0.005 0.000 1.157 409 E CB 1.052 30.754 29.700 0.003 0.000 1.158 409 E HN 0.336 nan 8.360 nan 0.000 0.540 410 G N 0.380 109.183 108.800 0.005 0.000 2.610 410 G HA2 -0.158 3.803 3.960 0.002 0.000 0.304 410 G HA3 -0.158 3.803 3.960 0.002 0.000 0.304 410 G C -0.564 174.338 174.900 0.004 0.000 1.309 410 G CA -0.510 44.593 45.100 0.004 0.000 0.906 410 G HN 0.622 nan 8.290 nan 0.000 0.521 411 V N -2.463 117.453 119.914 0.003 0.000 2.864 411 V HA 0.984 5.105 4.120 0.002 0.000 0.314 411 V C 0.653 176.749 176.094 0.003 0.000 1.073 411 V CA 0.001 62.303 62.300 0.003 0.000 0.956 411 V CB 1.191 33.017 31.823 0.004 0.000 1.023 411 V HN 2.417 nan 8.190 nan 0.000 0.435 412 V N -0.699 119.217 119.914 0.003 0.000 3.160 412 V HA 1.004 5.126 4.120 0.002 0.000 0.310 412 V C 0.436 176.534 176.094 0.007 0.000 1.181 412 V CA -0.753 61.550 62.300 0.005 0.000 1.047 412 V CB 1.333 33.158 31.823 0.004 0.000 1.068 412 V HN 1.973 nan 8.190 nan 0.000 0.441 413 A N 0.881 123.708 122.820 0.011 0.000 2.548 413 A HA 0.619 4.941 4.320 0.002 0.000 0.247 413 A C 0.818 178.407 177.584 0.008 0.000 1.067 413 A CA 0.687 52.732 52.037 0.013 0.000 0.757 413 A CB -0.707 18.307 19.000 0.024 0.000 0.996 413 A HN 1.955 nan 8.150 nan 0.000 0.504 414 G N 0.706 109.507 108.800 0.002 0.000 2.525 414 G HA2 0.533 4.494 3.960 0.002 0.000 0.287 414 G HA3 0.533 4.494 3.960 0.002 0.000 0.287 414 G C 1.113 176.012 174.900 -0.002 0.000 1.350 414 G CA -0.065 45.034 45.100 -0.002 0.000 1.039 414 G HN 2.219 nan 8.290 nan 0.000 0.513 415 G N -2.089 106.709 108.800 -0.005 0.000 2.203 415 G HA2 0.197 4.158 3.960 0.002 0.000 0.263 415 G HA3 0.197 4.158 3.960 0.002 0.000 0.263 415 G C 1.502 176.404 174.900 0.003 0.000 1.012 415 G CA 1.207 46.305 45.100 -0.003 0.000 0.749 415 G HN 2.514 nan 8.290 nan 0.000 0.512 416 G N -2.503 106.299 108.800 0.003 0.000 2.184 416 G HA2 -0.197 3.765 3.960 0.002 0.000 0.264 416 G HA3 -0.197 3.765 3.960 0.002 0.000 0.264 416 G C 1.422 176.328 174.900 0.010 0.000 0.975 416 G CA 1.391 46.493 45.100 0.004 0.000 0.642 416 G HN 1.653 nan 8.290 nan 0.000 0.536 417 V N 0.509 120.431 119.914 0.014 0.000 2.759 417 V HA 0.128 4.249 4.120 0.002 0.000 0.256 417 V C 3.008 179.116 176.094 0.025 0.000 1.080 417 V CA 2.644 64.958 62.300 0.024 0.000 1.101 417 V CB -0.542 31.300 31.823 0.031 0.000 0.698 417 V HN 1.066 nan 8.190 nan 0.000 0.477 418 A N -0.043 122.787 122.820 0.017 0.000 1.892 418 A HA -0.212 4.109 4.320 0.002 0.000 0.218 418 A C 2.122 179.713 177.584 0.011 0.000 1.188 418 A CA 2.237 54.282 52.037 0.014 0.000 0.631 418 A CB -0.563 18.441 19.000 0.007 0.000 0.822 418 A HN 0.557 nan 8.150 nan 0.000 0.447 419 L N -0.630 120.597 121.223 0.007 0.000 2.012 419 L HA -0.218 4.124 4.340 0.002 0.000 0.210 419 L C 2.542 179.419 176.870 0.010 0.000 1.073 419 L CA 1.571 56.413 54.840 0.004 0.000 0.748 419 L CB -0.700 41.358 42.059 -0.000 0.000 0.891 419 L HN 0.390 nan 8.230 nan 0.000 0.431 420 I N -0.809 119.771 120.570 0.017 0.000 2.208 420 I HA -0.270 3.901 4.170 0.002 0.000 0.245 420 I C 2.863 178.995 176.117 0.025 0.000 1.097 420 I CA 0.993 62.307 61.300 0.023 0.000 1.363 420 I CB -0.412 37.606 38.000 0.030 0.000 1.051 420 I HN 0.267 nan 8.210 nan 0.000 0.413 421 R N 0.743 121.259 120.500 0.028 0.000 2.070 421 R HA -0.117 4.224 4.340 0.002 0.000 0.233 421 R C 2.392 178.703 176.300 0.019 0.000 1.137 421 R CA 1.840 57.956 56.100 0.028 0.000 0.945 421 R CB -1.199 29.120 30.300 0.032 0.000 0.845 421 R HN 0.459 nan 8.270 nan 0.000 0.430 422 V N -1.333 118.589 119.914 0.014 0.000 2.626 422 V HA -0.002 4.119 4.120 0.002 0.000 0.252 422 V C 2.309 178.408 176.094 0.008 0.000 1.067 422 V CA 1.587 63.893 62.300 0.009 0.000 1.081 422 V CB -1.002 30.824 31.823 0.005 0.000 0.686 422 V HN 0.171 nan 8.190 nan 0.000 0.468 423 A N 1.938 124.763 122.820 0.009 0.000 1.902 423 A HA -0.159 4.162 4.320 0.002 0.000 0.217 423 A C 2.632 180.223 177.584 0.011 0.000 1.181 423 A CA 2.548 54.590 52.037 0.009 0.000 0.623 423 A CB -1.109 17.897 19.000 0.010 0.000 0.818 423 A HN 0.953 nan 8.150 nan 0.000 0.443 424 S N 0.099 115.807 115.700 0.014 0.000 2.399 424 S HA -0.175 4.297 4.470 0.002 0.000 0.231 424 S C 1.667 176.273 174.600 0.010 0.000 1.022 424 S CA 1.536 59.744 58.200 0.014 0.000 0.983 424 S CB -0.446 62.765 63.200 0.018 0.000 0.803 424 S HN 0.590 nan 8.310 nan 0.000 0.480 425 K N 0.595 121.001 120.400 0.010 0.000 2.515 425 K HA 0.209 4.530 4.320 0.002 0.000 0.196 425 K C 0.737 177.340 176.600 0.006 0.000 1.038 425 K CA 0.582 56.874 56.287 0.007 0.000 0.967 425 K CB -0.211 32.294 32.500 0.007 0.000 0.780 425 K HN 0.448 nan 8.250 nan 0.000 0.483 426 L N -0.832 120.394 121.223 0.006 0.000 3.229 426 L HA 0.241 4.583 4.340 0.002 0.000 0.286 426 L C 1.575 178.448 176.870 0.005 0.000 1.239 426 L CA -0.236 54.606 54.840 0.005 0.000 1.035 426 L CB 0.505 42.567 42.059 0.004 0.000 1.408 426 L HN -0.002 nan 8.230 nan 0.000 0.593 427 A N 0.185 123.009 122.820 0.005 0.000 1.917 427 A HA -0.228 4.093 4.320 0.002 0.000 0.219 427 A C 1.755 179.342 177.584 0.004 0.000 1.182 427 A CA 1.954 53.994 52.037 0.005 0.000 0.633 427 A CB -0.247 18.756 19.000 0.005 0.000 0.819 427 A HN 0.385 nan 8.150 nan 0.000 0.448 428 D N -0.871 119.531 120.400 0.003 0.000 2.371 428 D HA 0.034 4.675 4.640 0.002 0.000 0.221 428 D C 0.410 176.712 176.300 0.003 0.000 0.986 428 D CA 0.058 54.060 54.000 0.003 0.000 0.899 428 D CB -0.187 40.615 40.800 0.002 0.000 0.902 428 D HN 0.340 nan 8.370 nan 0.000 0.530 429 L N 1.737 122.962 121.223 0.004 0.000 2.490 429 L HA 0.048 4.389 4.340 0.002 0.000 0.274 429 L C 0.176 177.048 176.870 0.004 0.000 1.201 429 L CA 0.693 55.535 54.840 0.004 0.000 0.869 429 L CB 0.218 42.279 42.059 0.004 0.000 1.123 429 L HN -0.213 nan 8.230 nan 0.000 0.484 430 R N 2.807 123.309 120.500 0.004 0.000 2.817 430 R HA 0.715 5.056 4.340 0.002 0.000 0.268 430 R C -0.273 176.030 176.300 0.004 0.000 1.027 430 R CA -0.333 55.769 56.100 0.004 0.000 0.928 430 R CB 1.200 31.502 30.300 0.004 0.000 1.228 430 R HN 0.791 nan 8.270 nan 0.000 0.469 431 G N -0.440 108.363 108.800 0.005 0.000 3.107 431 G HA2 0.263 4.224 3.960 0.002 0.000 0.232 431 G HA3 0.263 4.224 3.960 0.002 0.000 0.232 431 G C 0.023 174.926 174.900 0.005 0.000 1.339 431 G CA -0.221 44.882 45.100 0.005 0.000 1.033 431 G HN 0.382 nan 8.290 nan 0.000 0.567 432 Q N -0.508 119.295 119.800 0.005 0.000 2.269 432 Q HA 0.091 4.433 4.340 0.002 0.000 0.201 432 Q C 0.240 176.243 176.000 0.005 0.000 0.946 432 Q CA 0.944 56.750 55.803 0.005 0.000 0.877 432 Q CB 0.107 28.848 28.738 0.005 0.000 0.963 432 Q HN 0.609 nan 8.270 nan 0.000 0.472 433 N N -1.877 116.827 118.700 0.005 0.000 3.039 433 N HA 0.028 4.770 4.740 0.002 0.000 0.257 433 N C -0.121 175.392 175.510 0.005 0.000 1.497 433 N CA -0.509 52.544 53.050 0.005 0.000 0.861 433 N CB 0.584 39.074 38.487 0.006 0.000 1.479 433 N HN -0.270 nan 8.380 nan 0.000 0.547 434 E N -0.228 119.976 120.200 0.005 0.000 2.152 434 E HA -0.053 4.298 4.350 0.002 0.000 0.192 434 E C 0.175 176.778 176.600 0.006 0.000 0.983 434 E CA 1.457 57.860 56.400 0.006 0.000 0.818 434 E CB -0.359 29.344 29.700 0.005 0.000 0.758 434 E HN 0.665 nan 8.360 nan 0.000 0.467 435 D N -0.035 120.369 120.400 0.007 0.000 2.123 435 D HA -0.199 4.443 4.640 0.002 0.000 0.196 435 D C 1.832 178.137 176.300 0.008 0.000 0.992 435 D CA 1.350 55.355 54.000 0.008 0.000 0.833 435 D CB -0.083 40.722 40.800 0.009 0.000 0.954 435 D HN 0.301 nan 8.370 nan 0.000 0.455 436 Q N -0.141 119.664 119.800 0.008 0.000 2.123 436 Q HA -0.060 4.281 4.340 0.002 0.000 0.199 436 Q C 1.737 177.741 176.000 0.007 0.000 0.966 436 Q CA 0.649 56.456 55.803 0.007 0.000 0.845 436 Q CB 0.027 28.769 28.738 0.007 0.000 0.907 436 Q HN 0.277 nan 8.270 nan 0.000 0.439 437 N N 0.255 118.959 118.700 0.006 0.000 2.104 437 N HA -0.136 4.605 4.740 0.002 0.000 0.190 437 N C 1.879 177.393 175.510 0.006 0.000 1.024 437 N CA 1.122 54.175 53.050 0.006 0.000 0.853 437 N CB -0.365 38.125 38.487 0.005 0.000 1.008 437 N HN 0.049 nan 8.380 nan 0.000 0.424 438 V N 0.869 120.787 119.914 0.007 0.000 2.343 438 V HA -0.138 3.983 4.120 0.002 0.000 0.247 438 V C 2.450 178.549 176.094 0.008 0.000 1.051 438 V CA 2.003 64.307 62.300 0.007 0.000 1.036 438 V CB -1.236 30.591 31.823 0.008 0.000 0.654 438 V HN 0.349 nan 8.190 nan 0.000 0.451 439 G N -0.069 108.736 108.800 0.008 0.000 2.418 439 G HA2 -0.232 3.730 3.960 0.002 0.000 0.217 439 G HA3 -0.232 3.730 3.960 0.002 0.000 0.217 439 G C 1.584 176.489 174.900 0.008 0.000 1.158 439 G CA 1.088 46.193 45.100 0.009 0.000 0.771 439 G HN 0.487 nan 8.290 nan 0.000 0.545 440 I N 0.144 120.718 120.570 0.007 0.000 2.163 440 I HA -0.156 4.016 4.170 0.002 0.000 0.243 440 I C 2.731 178.852 176.117 0.007 0.000 1.085 440 I CA 1.273 62.577 61.300 0.006 0.000 1.347 440 I CB -0.057 37.947 38.000 0.006 0.000 1.044 440 I HN 0.006 nan 8.210 nan 0.000 0.408 441 K N 0.289 120.694 120.400 0.007 0.000 2.155 441 K HA -0.039 4.283 4.320 0.002 0.000 0.203 441 K C 1.908 178.513 176.600 0.008 0.000 1.052 441 K CA 0.698 56.989 56.287 0.007 0.000 0.948 441 K CB -0.482 32.022 32.500 0.007 0.000 0.728 441 K HN 0.099 nan 8.250 nan 0.000 0.448 442 V N 0.860 120.779 119.914 0.008 0.000 2.287 442 V HA -0.304 3.817 4.120 0.002 0.000 0.248 442 V C 2.184 178.283 176.094 0.009 0.000 1.053 442 V CA 2.140 64.446 62.300 0.009 0.000 1.027 442 V CB -0.769 31.060 31.823 0.010 0.000 0.646 442 V HN 0.366 nan 8.190 nan 0.000 0.447 443 A N -0.301 122.524 122.820 0.008 0.000 1.858 443 A HA -0.162 4.160 4.320 0.002 0.000 0.216 443 A C 2.201 179.789 177.584 0.007 0.000 1.190 443 A CA 1.918 53.959 52.037 0.007 0.000 0.617 443 A CB -0.624 18.379 19.000 0.006 0.000 0.827 443 A HN 0.490 nan 8.150 nan 0.000 0.443 444 L N -1.052 120.175 121.223 0.007 0.000 2.042 444 L HA -0.209 4.132 4.340 0.002 0.000 0.210 444 L C 2.820 179.695 176.870 0.009 0.000 1.076 444 L CA 1.883 56.727 54.840 0.007 0.000 0.749 444 L CB -0.500 41.563 42.059 0.007 0.000 0.893 444 L HN 0.479 nan 8.230 nan 0.000 0.432 445 R N 0.386 120.892 120.500 0.009 0.000 2.081 445 R HA -0.166 4.176 4.340 0.002 0.000 0.235 445 R C 2.308 178.614 176.300 0.010 0.000 1.131 445 R CA 1.455 57.561 56.100 0.010 0.000 0.960 445 R CB -0.236 30.070 30.300 0.010 0.000 0.856 445 R HN 0.335 nan 8.270 nan 0.000 0.436 446 A N 0.601 123.427 122.820 0.010 0.000 2.015 446 A HA -0.110 4.211 4.320 0.002 0.000 0.219 446 A C 2.081 179.670 177.584 0.009 0.000 1.163 446 A CA 1.206 53.249 52.037 0.010 0.000 0.646 446 A CB -0.364 18.642 19.000 0.010 0.000 0.806 446 A HN 0.371 nan 8.150 nan 0.000 0.448 447 M N -0.544 119.061 119.600 0.008 0.000 2.446 447 M HA -0.134 4.348 4.480 0.002 0.000 0.263 447 M C 1.456 177.763 176.300 0.011 0.000 1.066 447 M CA 1.047 56.352 55.300 0.008 0.000 1.087 447 M CB -0.270 32.334 32.600 0.006 0.000 1.406 447 M HN 0.459 nan 8.290 nan 0.000 0.459 448 E N 0.171 120.379 120.200 0.013 0.000 2.427 448 E HA -0.042 4.309 4.350 0.002 0.000 0.196 448 E C 2.029 178.638 176.600 0.015 0.000 1.028 448 E CA 0.506 56.916 56.400 0.016 0.000 0.864 448 E CB 0.039 29.749 29.700 0.017 0.000 0.813 448 E HN 0.508 nan 8.360 nan 0.000 0.514 449 A N 2.221 125.048 122.820 0.012 0.000 1.883 449 A HA -0.125 4.196 4.320 0.002 0.000 0.217 449 A C -0.342 177.249 177.584 0.011 0.000 1.186 449 A CA 1.144 53.188 52.037 0.012 0.000 0.624 449 A CB -1.327 17.680 19.000 0.011 0.000 0.822 449 A HN 0.139 nan 8.150 nan 0.000 0.444 450 P HA -0.163 nan 4.420 nan 0.000 0.214 450 P C 1.851 179.157 177.300 0.010 0.000 1.163 450 P CA 0.816 63.922 63.100 0.009 0.000 0.883 450 P CB -0.154 31.550 31.700 0.006 0.000 0.788 451 L N 0.049 121.280 121.223 0.012 0.000 1.989 451 L HA -0.173 4.169 4.340 0.002 0.000 0.211 451 L C 2.182 179.062 176.870 0.018 0.000 1.071 451 L CA 2.140 56.990 54.840 0.016 0.000 0.749 451 L CB -1.008 41.064 42.059 0.022 0.000 0.890 451 L HN -0.048 nan 8.230 nan 0.000 0.431 452 R N -0.786 119.724 120.500 0.017 0.000 2.105 452 R HA -0.179 4.162 4.340 0.002 0.000 0.239 452 R C 2.161 178.470 176.300 0.014 0.000 1.135 452 R CA 1.313 57.423 56.100 0.016 0.000 0.967 452 R CB -0.124 30.185 30.300 0.015 0.000 0.861 452 R HN 0.522 nan 8.270 nan 0.000 0.442 453 Q N 0.330 120.137 119.800 0.012 0.000 2.172 453 Q HA -0.035 4.307 4.340 0.002 0.000 0.200 453 Q C 2.163 178.168 176.000 0.008 0.000 0.964 453 Q CA 1.089 56.898 55.803 0.010 0.000 0.855 453 Q CB -0.019 28.724 28.738 0.009 0.000 0.918 453 Q HN 0.413 nan 8.270 nan 0.000 0.444 454 I N -0.122 120.453 120.570 0.007 0.000 2.179 454 I HA -0.239 3.932 4.170 0.002 0.000 0.242 454 I C 2.183 178.304 176.117 0.007 0.000 1.088 454 I CA 0.884 62.185 61.300 0.003 0.000 1.357 454 I CB -0.264 37.735 38.000 -0.001 0.000 1.051 454 I HN -0.049 nan 8.210 nan 0.000 0.409 455 V N 0.520 120.444 119.914 0.017 0.000 2.515 455 V HA -0.229 3.892 4.120 0.002 0.000 0.250 455 V C 2.299 178.407 176.094 0.022 0.000 1.058 455 V CA 1.259 63.576 62.300 0.029 0.000 1.064 455 V CB -0.442 31.406 31.823 0.041 0.000 0.675 455 V HN 0.353 nan 8.190 nan 0.000 0.461 456 L N 0.578 121.810 121.223 0.015 0.000 2.093 456 L HA -0.094 4.248 4.340 0.002 0.000 0.208 456 L C 2.108 178.983 176.870 0.009 0.000 1.085 456 L CA 1.842 56.689 54.840 0.012 0.000 0.755 456 L CB -0.927 41.138 42.059 0.010 0.000 0.904 456 L HN 0.305 nan 8.230 nan 0.000 0.435 457 N N -1.129 117.574 118.700 0.006 0.000 2.443 457 N HA -0.167 4.574 4.740 0.002 0.000 0.184 457 N C 1.609 177.119 175.510 -0.000 0.000 1.037 457 N CA 1.460 54.511 53.050 0.002 0.000 0.896 457 N CB -0.151 38.336 38.487 -0.001 0.000 0.959 457 N HN 0.467 nan 8.380 nan 0.000 0.442 458 C N -0.339 118.963 119.300 0.002 0.000 2.481 458 C HA 0.139 4.600 4.460 0.002 0.000 0.275 458 C C 1.682 176.677 174.990 0.008 0.000 1.419 458 C CA 0.361 59.381 59.018 0.002 0.000 1.773 458 C CB -0.925 26.820 27.740 0.009 0.000 1.862 458 C HN 0.601 nan 8.230 nan 0.000 0.530 459 G N 1.246 110.052 108.800 0.010 0.000 2.160 459 G HA2 -0.182 3.780 3.960 0.002 0.000 0.244 459 G HA3 -0.182 3.780 3.960 0.002 0.000 0.244 459 G C -0.332 174.578 174.900 0.016 0.000 1.022 459 G CA 0.301 45.408 45.100 0.011 0.000 0.741 459 G HN 0.645 nan 8.290 nan 0.000 0.508 460 E N -0.678 119.535 120.200 0.022 0.000 2.423 460 E HA 0.403 4.755 4.350 0.002 0.000 0.269 460 E C -0.646 175.968 176.600 0.023 0.000 0.948 460 E CA -1.082 55.336 56.400 0.029 0.000 0.802 460 E CB 1.044 30.774 29.700 0.052 0.000 1.339 460 E HN 0.133 nan 8.360 nan 0.000 0.445 461 E N 2.012 122.222 120.200 0.016 0.000 1.944 461 E HA 0.067 4.418 4.350 0.002 0.000 0.272 461 E C -1.905 174.698 176.600 0.005 0.000 1.195 461 E CA -1.371 55.033 56.400 0.006 0.000 0.926 461 E CB 0.548 30.246 29.700 -0.004 0.000 1.051 461 E HN 0.242 nan 8.360 nan 0.000 0.404 462 P HA -0.153 nan 4.420 nan 0.000 0.215 462 P C 1.575 178.882 177.300 0.012 0.000 1.157 462 P CA 1.130 64.238 63.100 0.013 0.000 0.859 462 P CB 0.217 31.925 31.700 0.014 0.000 0.786 463 S N -0.773 114.932 115.700 0.010 0.000 2.382 463 S HA -0.123 4.349 4.470 0.002 0.000 0.228 463 S C 2.027 176.633 174.600 0.010 0.000 1.027 463 S CA 1.453 59.660 58.200 0.011 0.000 0.991 463 S CB -1.835 61.370 63.200 0.009 0.000 0.823 463 S HN -0.066 nan 8.310 nan 0.000 0.469 464 V N 1.869 121.784 119.914 0.002 0.000 2.261 464 V HA -0.134 3.988 4.120 0.002 0.000 0.246 464 V C 2.683 178.774 176.094 -0.005 0.000 1.047 464 V CA 1.730 64.028 62.300 -0.004 0.000 1.015 464 V CB -0.902 30.910 31.823 -0.018 0.000 0.642 464 V HN 0.455 nan 8.190 nan 0.000 0.446 465 V N 0.356 120.254 119.914 -0.027 0.000 2.407 465 V HA -0.240 3.881 4.120 0.002 0.000 0.248 465 V C 2.721 178.834 176.094 0.031 0.000 1.055 465 V CA 1.891 64.169 62.300 -0.037 0.000 1.049 465 V CB -1.209 30.587 31.823 -0.045 0.000 0.662 465 V HN 0.551 nan 8.190 nan 0.000 0.455 466 A N 0.614 123.453 122.820 0.032 0.000 1.883 466 A HA -0.251 4.070 4.320 0.002 0.000 0.217 466 A C 2.081 179.698 177.584 0.055 0.000 1.186 466 A CA 2.240 54.303 52.037 0.043 0.000 0.624 466 A CB -0.668 18.351 19.000 0.031 0.000 0.822 466 A HN 0.589 nan 8.150 nan 0.000 0.444 467 N N -0.269 118.457 118.700 0.045 0.000 2.188 467 N HA -0.114 4.627 4.740 0.002 0.000 0.184 467 N C 1.999 177.548 175.510 0.065 0.000 1.018 467 N CA 2.135 55.211 53.050 0.044 0.000 0.858 467 N CB -0.819 37.683 38.487 0.026 0.000 0.989 467 N HN 0.730 nan 8.380 nan 0.000 0.426 468 T N -1.340 113.268 114.554 0.089 0.000 2.737 468 T HA -0.024 4.328 4.350 0.002 0.000 0.265 468 T C 2.112 176.972 174.700 0.266 0.000 1.038 468 T CA 1.053 63.238 62.100 0.141 0.000 1.144 468 T CB -0.813 68.151 68.868 0.160 0.000 0.866 468 T HN -0.089 nan 8.240 nan 0.000 0.434 469 V N 1.836 121.913 119.914 0.271 0.000 2.515 469 V HA -0.098 4.023 4.120 0.002 0.000 0.250 469 V C 2.769 179.003 176.094 0.234 0.000 1.058 469 V CA 1.616 64.100 62.300 0.306 0.000 1.064 469 V CB -0.648 31.276 31.823 0.169 0.000 0.675 469 V HN 0.504 nan 8.190 nan 0.000 0.461 470 K N 0.217 120.701 120.400 0.140 0.000 2.097 470 K HA -0.096 4.225 4.320 0.002 0.000 0.206 470 K C 2.224 178.868 176.600 0.072 0.000 1.049 470 K CA 1.411 57.753 56.287 0.092 0.000 0.933 470 K CB -0.495 32.041 32.500 0.059 0.000 0.717 470 K HN 0.565 nan 8.250 nan 0.000 0.442 471 G N 1.010 109.850 108.800 0.067 0.000 2.394 471 G HA2 -0.076 3.885 3.960 0.002 0.000 0.214 471 G HA3 -0.076 3.885 3.960 0.002 0.000 0.214 471 G C 0.709 175.578 174.900 -0.052 0.000 1.176 471 G CA 0.472 45.577 45.100 0.008 0.000 0.786 471 G HN 0.362 nan 8.290 nan 0.000 0.533 472 G N -0.071 108.677 108.800 -0.087 0.000 2.483 472 G HA2 0.420 4.382 3.960 0.002 0.000 0.248 472 G HA3 0.420 4.382 3.960 0.002 0.000 0.248 472 G C -0.789 174.038 174.900 -0.121 0.000 1.248 472 G CA -0.354 44.523 45.100 -0.372 0.000 0.838 472 G HN 0.147 nan 8.290 nan 0.000 0.566 473 D N 0.008 120.319 120.400 -0.150 0.000 2.340 473 D HA 0.499 5.140 4.640 0.002 0.000 0.251 473 D C 1.151 177.480 176.300 0.049 0.000 1.080 473 D CA 1.007 54.991 54.000 -0.027 0.000 0.971 473 D CB 1.717 42.488 40.800 -0.048 0.000 1.137 473 D HN 0.713 nan 8.370 nan 0.000 0.475 474 G N 2.023 110.857 108.800 0.058 0.000 2.583 474 G HA2 -0.354 3.607 3.960 0.002 0.000 0.292 474 G HA3 -0.354 3.607 3.960 0.002 0.000 0.292 474 G C 0.604 175.568 174.900 0.106 0.000 1.203 474 G CA 0.450 45.591 45.100 0.068 0.000 0.987 474 G HN 0.573 nan 8.290 nan 0.000 0.554 475 N N 0.024 118.789 118.700 0.108 0.000 2.461 475 N HA 0.221 4.963 4.740 0.002 0.000 0.188 475 N C 0.586 176.191 175.510 0.159 0.000 1.134 475 N CA 0.504 53.618 53.050 0.107 0.000 0.878 475 N CB 0.026 38.557 38.487 0.074 0.000 0.972 475 N HN 0.553 nan 8.380 nan 0.000 0.456 476 Y N 1.139 121.474 120.300 0.058 0.000 2.712 476 Y HA 0.285 4.836 4.550 0.002 0.000 0.333 476 Y C 0.926 176.899 175.900 0.123 0.000 1.225 476 Y CA 0.485 58.640 58.100 0.092 0.000 1.499 476 Y CB 0.039 38.546 38.460 0.078 0.000 1.288 476 Y HN 0.076 nan 8.280 nan 0.000 0.575 477 G N 3.756 112.371 108.800 -0.308 0.000 2.619 477 G HA2 0.321 4.283 3.960 0.002 0.000 0.305 477 G HA3 0.321 4.283 3.960 0.002 0.000 0.305 477 G C -2.573 172.181 174.900 -0.243 0.000 1.330 477 G CA -0.900 44.060 45.100 -0.234 0.000 0.789 477 G HN 0.561 nan 8.290 nan 0.000 0.487 478 Y N 1.151 121.229 120.300 -0.371 0.000 2.376 478 Y HA 0.568 5.119 4.550 0.002 0.000 0.340 478 Y C -0.123 175.579 175.900 -0.331 0.000 0.965 478 Y CA -1.570 56.191 58.100 -0.565 0.000 1.078 478 Y CB 1.884 39.892 38.460 -0.754 0.000 1.193 478 Y HN 0.443 nan 8.280 nan 0.000 0.452 479 N N 4.542 122.795 118.700 -0.746 0.000 2.402 479 N HA 0.098 4.839 4.740 0.002 0.000 0.259 479 N C 0.703 175.801 175.510 -0.685 0.000 1.167 479 N CA 0.750 53.463 53.050 -0.562 0.000 0.949 479 N CB 1.241 39.484 38.487 -0.406 0.000 1.212 479 N HN 0.942 nan 8.380 nan 0.000 0.493 480 A N 3.911 126.496 122.820 -0.392 0.000 1.978 480 A HA -0.147 4.174 4.320 0.002 0.000 0.220 480 A C 2.014 179.473 177.584 -0.207 0.000 1.170 480 A CA 1.965 53.854 52.037 -0.247 0.000 0.636 480 A CB -0.374 18.557 19.000 -0.114 0.000 0.810 480 A HN 0.710 nan 8.150 nan 0.000 0.448 481 A N -0.778 121.924 122.820 -0.196 0.000 1.835 481 A HA 0.024 4.345 4.320 0.002 0.000 0.213 481 A C 2.395 179.882 177.584 -0.162 0.000 1.210 481 A CA 2.235 54.186 52.037 -0.143 0.000 0.605 481 A CB -1.073 17.861 19.000 -0.110 0.000 0.860 481 A HN 0.794 nan 8.150 nan 0.000 0.447 482 T N -3.562 110.869 114.554 -0.206 0.000 3.065 482 T HA 0.224 4.575 4.350 0.002 0.000 0.252 482 T C 0.269 174.844 174.700 -0.208 0.000 1.099 482 T CA 0.929 62.928 62.100 -0.170 0.000 1.063 482 T CB -0.252 68.534 68.868 -0.137 0.000 0.948 482 T HN 0.596 nan 8.240 nan 0.000 0.506 483 E N 1.020 120.988 120.200 -0.387 0.000 3.169 483 E HA -0.127 4.225 4.350 0.002 0.000 0.305 483 E C -0.298 176.141 176.600 -0.268 0.000 0.912 483 E CA 0.679 56.843 56.400 -0.395 0.000 1.029 483 E CB -1.775 27.879 29.700 -0.077 0.000 1.514 483 E HN 0.954 nan 8.360 nan 0.000 0.412 484 E N -0.033 119.925 120.200 -0.402 0.000 2.369 484 E HA 0.516 4.867 4.350 0.002 0.000 0.270 484 E C -0.843 175.678 176.600 -0.133 0.000 0.909 484 E CA -0.891 55.467 56.400 -0.070 0.000 0.775 484 E CB 1.198 30.892 29.700 -0.011 0.000 1.270 484 E HN 0.039 nan 8.360 nan 0.000 0.445 485 Y N -0.037 120.349 120.300 0.143 0.000 2.307 485 Y HA 0.622 5.173 4.550 0.002 0.000 0.324 485 Y C 1.024 176.916 175.900 -0.013 0.000 1.238 485 Y CA 1.029 59.162 58.100 0.054 0.000 1.280 485 Y CB 1.944 40.434 38.460 0.051 0.000 1.248 485 Y HN 0.861 nan 8.280 nan 0.000 0.508 486 G N 0.798 109.648 108.800 0.085 0.000 2.341 486 G HA2 0.059 4.020 3.960 0.002 0.000 0.299 486 G HA3 0.059 4.020 3.960 0.002 0.000 0.299 486 G C -1.817 173.119 174.900 0.060 0.000 1.274 486 G CA -1.236 43.915 45.100 0.086 0.000 0.853 486 G HN 0.484 nan 8.290 nan 0.000 0.493 487 N N 0.910 119.651 118.700 0.069 0.000 2.452 487 N HA 0.157 4.898 4.740 0.002 0.000 0.266 487 N C 1.849 177.370 175.510 0.019 0.000 1.175 487 N CA -0.372 52.715 53.050 0.060 0.000 0.945 487 N CB 0.674 39.196 38.487 0.058 0.000 1.063 487 N HN 0.368 nan 8.380 nan 0.000 0.472 488 M N 3.324 122.933 119.600 0.015 0.000 2.144 488 M HA -0.189 4.292 4.480 0.002 0.000 0.260 488 M C 1.254 177.552 176.300 -0.005 0.000 1.067 488 M CA 1.159 56.456 55.300 -0.006 0.000 1.095 488 M CB -0.598 32.004 32.600 0.004 0.000 1.365 488 M HN 0.585 nan 8.290 nan 0.000 0.406 489 I N -0.044 120.530 120.570 0.008 0.000 2.252 489 I HA -0.240 3.931 4.170 0.002 0.000 0.245 489 I C 1.875 177.992 176.117 0.000 0.000 1.102 489 I CA 1.386 62.689 61.300 0.006 0.000 1.385 489 I CB -1.495 36.512 38.000 0.013 0.000 1.064 489 I HN 0.273 nan 8.210 nan 0.000 0.414 490 D N 0.377 120.778 120.400 0.003 0.000 2.249 490 D HA -0.016 4.626 4.640 0.002 0.000 0.205 490 D C 2.223 178.516 176.300 -0.013 0.000 0.962 490 D CA 0.703 54.703 54.000 -0.001 0.000 0.860 490 D CB 0.104 40.909 40.800 0.008 0.000 0.955 490 D HN 0.323 nan 8.370 nan 0.000 0.505 491 M N -0.289 119.298 119.600 -0.022 0.000 2.686 491 M HA 0.055 4.537 4.480 0.002 0.000 0.246 491 M C 1.286 177.560 176.300 -0.043 0.000 1.096 491 M CA 0.708 55.981 55.300 -0.044 0.000 1.076 491 M CB 0.260 32.819 32.600 -0.068 0.000 1.504 491 M HN 0.071 nan 8.290 nan 0.000 0.524 492 G N 1.557 110.340 108.800 -0.028 0.000 2.162 492 G HA2 -0.255 3.706 3.960 0.002 0.000 0.260 492 G HA3 -0.255 3.706 3.960 0.002 0.000 0.260 492 G C 0.200 175.085 174.900 -0.025 0.000 0.976 492 G CA -0.216 44.869 45.100 -0.024 0.000 0.655 492 G HN 0.531 nan 8.290 nan 0.000 0.533 493 I N 1.677 122.229 120.570 -0.029 0.000 2.243 493 I HA 0.359 4.530 4.170 0.002 0.000 0.297 493 I C 0.487 176.595 176.117 -0.015 0.000 1.161 493 I CA -0.017 61.265 61.300 -0.029 0.000 1.298 493 I CB 0.039 38.014 38.000 -0.042 0.000 1.475 493 I HN 0.001 nan 8.210 nan 0.000 0.561 494 L N 4.609 125.825 121.223 -0.011 0.000 2.329 494 L HA 0.478 4.819 4.340 0.002 0.000 0.279 494 L C -0.584 176.284 176.870 -0.003 0.000 1.014 494 L CA -0.811 54.026 54.840 -0.005 0.000 0.814 494 L CB 1.852 43.910 42.059 -0.003 0.000 1.257 494 L HN 0.318 nan 8.230 nan 0.000 0.424 495 D N 3.799 124.199 120.400 -0.001 0.000 2.232 495 D HA 0.276 4.917 4.640 0.002 0.000 0.242 495 D C -2.383 173.917 176.300 0.001 0.000 1.093 495 D CA -1.406 52.594 54.000 -0.000 0.000 0.845 495 D CB 1.445 42.243 40.800 -0.002 0.000 1.124 495 D HN 0.126 nan 8.370 nan 0.000 0.467 496 P HA -0.000 nan 4.420 nan 0.000 0.261 496 P C 0.792 178.092 177.300 -0.000 0.000 1.203 496 P CA 0.124 63.227 63.100 0.006 0.000 0.767 496 P CB 0.567 32.276 31.700 0.013 0.000 0.785 497 T N 3.154 117.706 114.554 -0.003 0.000 2.665 497 T HA -0.245 4.106 4.350 0.002 0.000 0.268 497 T C 1.650 176.339 174.700 -0.019 0.000 1.035 497 T CA 1.550 63.644 62.100 -0.010 0.000 1.151 497 T CB -0.332 68.531 68.868 -0.008 0.000 0.862 497 T HN 0.478 nan 8.240 nan 0.000 0.438 498 K N 0.817 121.210 120.400 -0.012 0.000 2.074 498 K HA -0.163 4.159 4.320 0.002 0.000 0.209 498 K C 2.382 178.966 176.600 -0.028 0.000 1.048 498 K CA 1.887 58.164 56.287 -0.016 0.000 0.926 498 K CB -0.354 32.148 32.500 0.004 0.000 0.713 498 K HN 0.397 nan 8.250 nan 0.000 0.444 499 V N -1.899 118.008 119.914 -0.012 0.000 2.379 499 V HA -0.121 4.000 4.120 0.002 0.000 0.245 499 V C 1.899 177.973 176.094 -0.032 0.000 1.044 499 V CA 2.085 64.380 62.300 -0.008 0.000 1.036 499 V CB -0.867 30.964 31.823 0.014 0.000 0.664 499 V HN 0.249 nan 8.190 nan 0.000 0.453 500 T N 0.193 114.728 114.554 -0.032 0.000 2.812 500 T HA -0.054 4.297 4.350 0.002 0.000 0.264 500 T C 2.100 176.757 174.700 -0.072 0.000 1.042 500 T CA 1.574 63.650 62.100 -0.040 0.000 1.140 500 T CB -0.381 68.473 68.868 -0.023 0.000 0.870 500 T HN 0.409 nan 8.240 nan 0.000 0.445 501 R N 1.398 121.850 120.500 -0.079 0.000 2.073 501 R HA -0.050 4.292 4.340 0.002 0.000 0.234 501 R C 2.432 178.609 176.300 -0.205 0.000 1.134 501 R CA 1.765 57.800 56.100 -0.107 0.000 0.952 501 R CB -0.803 29.450 30.300 -0.078 0.000 0.850 501 R HN 0.319 nan 8.270 nan 0.000 0.433 502 S N 0.767 116.311 115.700 -0.260 0.000 2.355 502 S HA -0.075 4.396 4.470 0.002 0.000 0.222 502 S C 2.106 176.275 174.600 -0.718 0.000 1.031 502 S CA 1.140 58.992 58.200 -0.580 0.000 0.993 502 S CB -0.352 62.624 63.200 -0.374 0.000 0.859 502 S HN 0.543 nan 8.310 nan 0.000 0.453 503 A N 2.129 124.779 122.820 -0.283 0.000 1.917 503 A HA -0.084 4.237 4.320 0.002 0.000 0.219 503 A C 2.103 179.622 177.584 -0.108 0.000 1.182 503 A CA 1.330 53.300 52.037 -0.111 0.000 0.633 503 A CB -0.812 18.169 19.000 -0.032 0.000 0.819 503 A HN 0.440 nan 8.150 nan 0.000 0.448 504 L N -0.346 120.801 121.223 -0.127 0.000 2.056 504 L HA -0.193 4.149 4.340 0.002 0.000 0.207 504 L C 2.405 179.217 176.870 -0.096 0.000 1.078 504 L CA 2.337 57.127 54.840 -0.084 0.000 0.749 504 L CB -1.180 40.837 42.059 -0.070 0.000 0.901 504 L HN 0.549 nan 8.230 nan 0.000 0.433 505 Q N -1.164 118.520 119.800 -0.194 0.000 2.046 505 Q HA -0.222 4.119 4.340 0.002 0.000 0.200 505 Q C 2.075 178.061 176.000 -0.023 0.000 0.975 505 Q CA 1.742 57.454 55.803 -0.153 0.000 0.836 505 Q CB -0.207 28.382 28.738 -0.248 0.000 0.896 505 Q HN 0.502 nan 8.270 nan 0.000 0.428 506 Y N 0.106 120.407 120.300 0.001 0.000 2.242 506 Y HA -0.093 4.459 4.550 0.002 0.000 0.291 506 Y C 2.363 178.264 175.900 0.001 0.000 1.137 506 Y CA 0.517 58.617 58.100 0.000 0.000 1.181 506 Y CB -1.151 37.308 38.460 -0.002 0.000 0.989 506 Y HN 0.113 nan 8.280 nan 0.000 0.527 507 A N 0.460 123.356 122.820 0.127 0.000 1.865 507 A HA -0.160 4.161 4.320 0.002 0.000 0.217 507 A C 2.561 180.177 177.584 0.053 0.000 1.191 507 A CA 2.364 54.443 52.037 0.070 0.000 0.623 507 A CB -1.272 17.750 19.000 0.038 0.000 0.826 507 A HN 0.384 nan 8.150 nan 0.000 0.444 508 A N -0.982 121.861 122.820 0.038 0.000 1.902 508 A HA -0.104 4.217 4.320 0.002 0.000 0.217 508 A C 2.502 180.111 177.584 0.042 0.000 1.181 508 A CA 2.298 54.353 52.037 0.030 0.000 0.623 508 A CB -0.990 18.018 19.000 0.014 0.000 0.818 508 A HN 0.603 nan 8.150 nan 0.000 0.443 509 S N -0.680 115.059 115.700 0.066 0.000 2.343 509 S HA -0.128 4.343 4.470 0.002 0.000 0.219 509 S C 1.915 176.547 174.600 0.053 0.000 1.033 509 S CA 1.761 60.001 58.200 0.068 0.000 1.014 509 S CB -0.525 62.739 63.200 0.107 0.000 0.915 509 S HN 0.294 nan 8.310 nan 0.000 0.435 510 V N 2.155 122.105 119.914 0.060 0.000 2.427 510 V HA -0.057 4.065 4.120 0.002 0.000 0.248 510 V C 2.826 178.939 176.094 0.031 0.000 1.051 510 V CA 1.634 63.957 62.300 0.039 0.000 1.048 510 V CB -1.301 30.544 31.823 0.038 0.000 0.666 510 V HN 0.612 nan 8.190 nan 0.000 0.456 511 A N 0.647 123.487 122.820 0.034 0.000 1.873 511 A HA -0.049 4.272 4.320 0.002 0.000 0.215 511 A C 2.419 180.017 177.584 0.023 0.000 1.186 511 A CA 1.806 53.859 52.037 0.027 0.000 0.616 511 A CB -1.208 17.808 19.000 0.026 0.000 0.823 511 A HN 0.509 nan 8.150 nan 0.000 0.442 512 G N -0.467 108.347 108.800 0.025 0.000 2.443 512 G HA2 -0.077 3.884 3.960 0.002 0.000 0.219 512 G HA3 -0.077 3.884 3.960 0.002 0.000 0.219 512 G C 1.531 176.443 174.900 0.020 0.000 1.131 512 G CA 0.959 46.071 45.100 0.021 0.000 0.775 512 G HN 0.417 nan 8.290 nan 0.000 0.547 513 L N -0.467 120.769 121.223 0.020 0.000 2.023 513 L HA 0.076 4.417 4.340 0.002 0.000 0.205 513 L C 2.850 179.728 176.870 0.014 0.000 1.073 513 L CA 1.184 56.034 54.840 0.016 0.000 0.745 513 L CB -0.363 41.705 42.059 0.014 0.000 0.900 513 L HN 0.232 nan 8.230 nan 0.000 0.435 514 M N 0.700 120.309 119.600 0.015 0.000 2.149 514 M HA -0.219 4.262 4.480 0.002 0.000 0.261 514 M C 2.275 178.585 176.300 0.017 0.000 1.064 514 M CA 1.825 57.134 55.300 0.015 0.000 1.102 514 M CB -0.206 32.405 32.600 0.017 0.000 1.369 514 M HN 0.332 nan 8.290 nan 0.000 0.408 515 I N -1.722 118.859 120.570 0.018 0.000 2.700 515 I HA -0.169 4.002 4.170 0.002 0.000 0.261 515 I C 1.953 178.081 176.117 0.018 0.000 1.219 515 I CA 1.619 62.930 61.300 0.018 0.000 1.463 515 I CB -1.417 36.594 38.000 0.018 0.000 1.092 515 I HN 0.348 nan 8.210 nan 0.000 0.452 516 T N -1.625 112.939 114.554 0.017 0.000 3.113 516 T HA -0.015 4.336 4.350 0.002 0.000 0.263 516 T C 0.961 175.671 174.700 0.016 0.000 1.143 516 T CA 0.520 62.629 62.100 0.016 0.000 1.090 516 T CB -1.250 67.626 68.868 0.013 0.000 0.922 516 T HN 0.370 nan 8.240 nan 0.000 0.521 517 T N 3.054 117.617 114.554 0.015 0.000 2.754 517 T HA 0.167 4.518 4.350 0.002 0.000 0.282 517 T C 0.676 175.388 174.700 0.021 0.000 0.923 517 T CA 0.058 62.166 62.100 0.013 0.000 1.164 517 T CB 0.706 69.584 68.868 0.016 0.000 0.873 517 T HN 0.318 nan 8.240 nan 0.000 0.537 518 E N 1.197 121.409 120.200 0.020 0.000 2.489 518 E HA 0.244 4.595 4.350 0.002 0.000 0.204 518 E C -0.079 176.530 176.600 0.016 0.000 1.006 518 E CA -0.115 56.313 56.400 0.047 0.000 0.936 518 E CB 0.403 30.146 29.700 0.071 0.000 1.002 518 E HN 0.648 nan 8.360 nan 0.000 0.488 519 C N -0.136 119.117 119.300 -0.078 0.000 3.171 519 C HA 0.640 5.102 4.460 0.002 0.000 0.336 519 C C -1.642 173.264 174.990 -0.140 0.000 1.198 519 C CA -0.752 58.117 59.018 -0.247 0.000 1.319 519 C CB 0.613 28.024 27.740 -0.549 0.000 1.682 519 C HN 0.240 nan 8.230 nan 0.000 0.497 520 M N 4.665 124.208 119.600 -0.095 0.000 2.259 520 M HA 0.597 5.079 4.480 0.002 0.000 0.304 520 M C -1.021 175.319 176.300 0.068 0.000 1.019 520 M CA -0.497 54.828 55.300 0.041 0.000 0.922 520 M CB 2.002 34.737 32.600 0.226 0.000 1.600 520 M HN 0.397 nan 8.290 nan 0.000 0.433 521 V N 1.375 121.274 119.914 -0.025 0.000 2.555 521 V HA 0.841 4.962 4.120 0.002 0.000 0.302 521 V C -0.267 175.738 176.094 -0.148 0.000 1.038 521 V CA -0.462 61.806 62.300 -0.052 0.000 0.887 521 V CB 2.036 33.822 31.823 -0.062 0.000 0.991 521 V HN 0.918 nan 8.190 nan 0.000 0.434 522 T N 1.502 115.937 114.554 -0.199 0.000 2.885 522 T HA 0.323 4.675 4.350 0.002 0.000 0.322 522 T C -1.459 173.137 174.700 -0.174 0.000 1.387 522 T CA -0.608 61.330 62.100 -0.269 0.000 1.041 522 T CB 1.756 70.300 68.868 -0.540 0.000 1.287 522 T HN 0.670 nan 8.240 nan 0.000 0.491 523 D N 2.148 122.468 120.400 -0.134 0.000 2.449 523 D HA 0.227 4.868 4.640 0.002 0.000 0.236 523 D C 0.620 176.880 176.300 -0.067 0.000 1.149 523 D CA 0.209 54.162 54.000 -0.079 0.000 0.878 523 D CB 0.372 41.134 40.800 -0.064 0.000 1.198 523 D HN 0.459 nan 8.370 nan 0.000 0.446 524 L N 3.149 124.358 121.223 -0.025 0.000 2.516 524 L HA 0.081 4.422 4.340 0.002 0.000 0.288 524 L C -1.460 175.411 176.870 0.001 0.000 1.246 524 L CA -1.033 53.809 54.840 0.004 0.000 0.844 524 L CB -0.175 41.892 42.059 0.014 0.000 1.106 524 L HN 0.319 nan 8.230 nan 0.000 0.509 525 P HA 0.518 nan 4.420 nan 0.000 0.276 525 P C -0.782 176.528 177.300 0.018 0.000 1.261 525 P CA -0.300 62.815 63.100 0.025 0.000 0.800 525 P CB 1.357 33.090 31.700 0.055 0.000 1.066 526 K N 0.000 120.409 120.400 0.014 0.000 2.780 526 K HA 0.000 4.321 4.320 0.002 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