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 1pcq_1_A 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 TDLP 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 0.000 177.574 177.584 -0.017 0.000 1.274 2 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 2 A CB 0.000 18.985 19.000 -0.026 0.000 0.831 3 A N 2.098 124.910 122.820 -0.012 0.000 2.565 3 A HA 0.482 4.803 4.320 0.001 0.000 0.237 3 A C 0.260 177.833 177.584 -0.018 0.000 1.053 3 A CA 0.502 52.534 52.037 -0.008 0.000 0.755 3 A CB -0.124 18.874 19.000 -0.003 0.000 0.980 3 A HN 0.604 nan 8.150 nan 0.000 0.506 4 K N 1.819 122.211 120.400 -0.014 0.000 2.156 4 K HA 0.388 4.708 4.320 0.001 0.000 0.250 4 K C -0.918 175.677 176.600 -0.007 0.000 0.955 4 K CA -0.728 55.543 56.287 -0.026 0.000 0.855 4 K CB 1.428 33.914 32.500 -0.022 0.000 1.101 4 K HN 0.729 nan 8.250 nan 0.000 0.434 5 D N 1.502 121.889 120.400 -0.022 0.000 2.198 5 D HA 0.296 4.937 4.640 0.001 0.000 0.245 5 D C -1.127 175.250 176.300 0.129 0.000 1.079 5 D CA -0.492 53.544 54.000 0.060 0.000 0.854 5 D CB 1.268 42.094 40.800 0.045 0.000 1.148 5 D HN 0.248 nan 8.370 nan 0.000 0.456 6 V N 1.087 121.075 119.914 0.124 0.000 2.588 6 V HA 0.654 4.774 4.120 0.001 0.000 0.304 6 V C -0.906 175.109 176.094 -0.132 0.000 1.042 6 V CA -0.671 61.625 62.300 -0.007 0.000 0.877 6 V CB 1.784 33.529 31.823 -0.131 0.000 0.996 6 V HN 0.377 nan 8.190 nan 0.000 0.425 7 K N 4.357 124.565 120.400 -0.319 0.000 2.375 7 K HA 0.686 5.006 4.320 0.001 0.000 0.249 7 K C -1.776 174.492 176.600 -0.554 0.000 0.942 7 K CA -0.473 55.568 56.287 -0.411 0.000 0.806 7 K CB 2.513 34.596 32.500 -0.695 0.000 1.227 7 K HN 0.730 nan 8.250 nan 0.000 0.430 8 F N 0.069 119.962 119.950 -0.095 0.000 2.522 8 F HA 0.383 4.910 4.527 0.001 0.000 0.324 8 F C 1.187 176.947 175.800 -0.068 0.000 1.077 8 F CA 0.244 58.208 58.000 -0.059 0.000 0.944 8 F CB 1.946 40.926 39.000 -0.034 0.000 1.175 8 F HN 0.862 nan 8.300 nan 0.000 0.468 9 G N 2.482 111.378 108.800 0.159 0.000 2.591 9 G HA2 -0.493 3.467 3.960 0.001 0.000 0.298 9 G HA3 -0.493 3.467 3.960 0.001 0.000 0.298 9 G C 0.976 175.888 174.900 0.021 0.000 1.195 9 G CA 1.002 46.153 45.100 0.084 0.000 0.989 9 G HN 0.798 nan 8.290 nan 0.000 0.551 10 N N 0.863 119.571 118.700 0.013 0.000 2.084 10 N HA -0.065 4.675 4.740 0.001 0.000 0.190 10 N C 1.767 177.254 175.510 -0.038 0.000 1.030 10 N CA 2.457 55.502 53.050 -0.010 0.000 0.849 10 N CB -0.315 38.168 38.487 -0.006 0.000 1.012 10 N HN 0.526 nan 8.380 nan 0.000 0.423 11 D N 0.061 120.432 120.400 -0.049 0.000 2.092 11 D HA -0.125 4.515 4.640 0.001 0.000 0.193 11 D C 1.899 178.089 176.300 -0.183 0.000 0.994 11 D CA 1.574 55.512 54.000 -0.103 0.000 0.828 11 D CB -0.816 39.919 40.800 -0.108 0.000 0.963 11 D HN 0.431 nan 8.370 nan 0.000 0.450 12 A N 0.750 123.446 122.820 -0.206 0.000 1.917 12 A HA -0.256 4.065 4.320 0.001 0.000 0.219 12 A C 2.191 179.682 177.584 -0.154 0.000 1.182 12 A CA 1.752 53.625 52.037 -0.274 0.000 0.633 12 A CB -0.483 18.394 19.000 -0.204 0.000 0.819 12 A HN 0.127 nan 8.150 nan 0.000 0.448 13 R N -1.012 119.437 120.500 -0.085 0.000 2.062 13 R HA -0.030 4.311 4.340 0.001 0.000 0.229 13 R C 2.141 178.420 176.300 -0.036 0.000 1.128 13 R CA 1.290 57.365 56.100 -0.042 0.000 0.960 13 R CB -0.569 29.718 30.300 -0.021 0.000 0.855 13 R HN 0.388 nan 8.270 nan 0.000 0.432 14 V N 2.185 122.073 119.914 -0.043 0.000 2.252 14 V HA -0.330 3.790 4.120 0.001 0.000 0.249 14 V C 2.279 178.356 176.094 -0.028 0.000 1.056 14 V CA 1.803 64.084 62.300 -0.032 0.000 1.022 14 V CB -0.451 31.352 31.823 -0.033 0.000 0.641 14 V HN 0.292 nan 8.190 nan 0.000 0.445 15 K N -0.468 119.900 120.400 -0.054 0.000 2.032 15 K HA -0.196 4.125 4.320 0.001 0.000 0.209 15 K C 2.130 178.742 176.600 0.019 0.000 1.048 15 K CA 1.867 58.142 56.287 -0.020 0.000 0.927 15 K CB -0.694 31.772 32.500 -0.056 0.000 0.712 15 K HN 0.444 nan 8.250 nan 0.000 0.441 16 M N 0.734 120.339 119.600 0.008 0.000 2.202 16 M HA -0.189 4.292 4.480 0.001 0.000 0.262 16 M C 2.059 178.373 176.300 0.024 0.000 1.063 16 M CA 1.252 56.571 55.300 0.031 0.000 1.097 16 M CB -0.019 32.593 32.600 0.021 0.000 1.382 16 M HN 0.093 nan 8.290 nan 0.000 0.413 17 L N 0.211 121.441 121.223 0.012 0.000 2.049 17 L HA -0.085 4.255 4.340 0.001 0.000 0.203 17 L C 2.253 179.132 176.870 0.014 0.000 1.074 17 L CA 1.689 56.535 54.840 0.011 0.000 0.749 17 L CB -0.707 41.355 42.059 0.005 0.000 0.907 17 L HN 0.181 nan 8.230 nan 0.000 0.439 18 R N -0.225 120.283 120.500 0.014 0.000 2.153 18 R HA -0.206 4.135 4.340 0.001 0.000 0.252 18 R C 2.099 178.412 176.300 0.022 0.000 1.158 18 R CA 1.413 57.523 56.100 0.017 0.000 0.975 18 R CB -1.131 29.180 30.300 0.019 0.000 0.871 18 R HN 0.635 nan 8.270 nan 0.000 0.450 19 G N 0.542 109.360 108.800 0.029 0.000 2.484 19 G HA2 -0.239 3.721 3.960 0.001 0.000 0.215 19 G HA3 -0.239 3.721 3.960 0.001 0.000 0.215 19 G C 1.491 176.404 174.900 0.021 0.000 1.219 19 G CA 1.077 46.195 45.100 0.029 0.000 0.791 19 G HN 0.151 nan 8.290 nan 0.000 0.550 20 V N 1.723 121.650 119.914 0.021 0.000 2.233 20 V HA -0.374 3.746 4.120 0.001 0.000 0.252 20 V C 2.514 178.617 176.094 0.014 0.000 1.063 20 V CA 2.482 64.792 62.300 0.017 0.000 1.032 20 V CB -1.131 30.702 31.823 0.017 0.000 0.645 20 V HN 0.494 nan 8.190 nan 0.000 0.446 21 N N -0.126 118.582 118.700 0.013 0.000 2.036 21 N HA -0.197 4.544 4.740 0.001 0.000 0.195 21 N C 1.752 177.268 175.510 0.010 0.000 1.037 21 N CA 1.611 54.667 53.050 0.011 0.000 0.855 21 N CB -0.372 38.121 38.487 0.010 0.000 1.033 21 N HN 0.331 nan 8.380 nan 0.000 0.423 22 V N 1.623 121.544 119.914 0.011 0.000 2.252 22 V HA -0.218 3.902 4.120 0.001 0.000 0.249 22 V C 2.217 178.316 176.094 0.009 0.000 1.056 22 V CA 1.391 63.696 62.300 0.010 0.000 1.022 22 V CB -0.641 31.189 31.823 0.011 0.000 0.641 22 V HN 0.381 nan 8.190 nan 0.000 0.445 23 L N 0.899 122.128 121.223 0.010 0.000 1.976 23 L HA -0.081 4.260 4.340 0.001 0.000 0.209 23 L C 2.546 179.421 176.870 0.009 0.000 1.071 23 L CA 2.760 57.606 54.840 0.009 0.000 0.746 23 L CB -1.769 40.296 42.059 0.009 0.000 0.890 23 L HN 0.279 nan 8.230 nan 0.000 0.432 24 A N 0.145 122.971 122.820 0.010 0.000 1.869 24 A HA -0.297 4.024 4.320 0.001 0.000 0.218 24 A C 1.920 179.509 177.584 0.009 0.000 1.203 24 A CA 2.259 54.303 52.037 0.011 0.000 0.638 24 A CB -1.155 17.852 19.000 0.012 0.000 0.831 24 A HN 0.593 nan 8.150 nan 0.000 0.450 25 D N -0.042 120.362 120.400 0.008 0.000 2.158 25 D HA -0.092 4.549 4.640 0.001 0.000 0.197 25 D C 2.034 178.338 176.300 0.005 0.000 0.995 25 D CA 1.630 55.634 54.000 0.006 0.000 0.846 25 D CB -0.473 40.330 40.800 0.006 0.000 0.941 25 D HN 0.501 nan 8.370 nan 0.000 0.456 26 A N 0.138 122.961 122.820 0.005 0.000 2.014 26 A HA -0.023 4.297 4.320 0.001 0.000 0.218 26 A C 2.364 179.950 177.584 0.004 0.000 1.163 26 A CA 0.677 52.716 52.037 0.003 0.000 0.652 26 A CB -0.157 18.844 19.000 0.003 0.000 0.808 26 A HN 0.166 nan 8.150 nan 0.000 0.449 27 V N -0.378 119.539 119.914 0.005 0.000 2.599 27 V HA -0.111 4.010 4.120 0.001 0.000 0.245 27 V C 2.232 178.330 176.094 0.007 0.000 1.046 27 V CA 1.632 63.936 62.300 0.006 0.000 1.065 27 V CB -0.477 31.351 31.823 0.007 0.000 0.703 27 V HN 0.469 nan 8.190 nan 0.000 0.464 28 K N 0.637 121.042 120.400 0.008 0.000 2.160 28 K HA -0.179 4.142 4.320 0.001 0.000 0.206 28 K C 1.940 178.545 176.600 0.007 0.000 1.047 28 K CA 1.796 58.088 56.287 0.008 0.000 0.930 28 K CB -0.334 32.171 32.500 0.008 0.000 0.720 28 K HN 0.582 nan 8.250 nan 0.000 0.450 29 V N -1.259 118.658 119.914 0.005 0.000 3.305 29 V HA -0.093 4.028 4.120 0.001 0.000 0.269 29 V C 1.729 177.826 176.094 0.004 0.000 1.157 29 V CA 1.812 64.114 62.300 0.004 0.000 1.157 29 V CB -0.795 31.029 31.823 0.002 0.000 0.772 29 V HN 0.316 nan 8.190 nan 0.000 0.498 30 T N -2.545 112.012 114.554 0.004 0.000 3.069 30 T HA 0.321 4.671 4.350 0.001 0.000 0.252 30 T C 0.469 175.172 174.700 0.005 0.000 1.053 30 T CA -0.166 61.937 62.100 0.003 0.000 0.964 30 T CB -0.013 68.856 68.868 0.002 0.000 1.005 30 T HN 0.355 nan 8.240 nan 0.000 0.532 31 L N 2.841 124.068 121.223 0.008 0.000 2.410 31 L HA 0.552 4.893 4.340 0.001 0.000 0.273 31 L C 0.704 177.581 176.870 0.011 0.000 1.144 31 L CA 1.574 56.420 54.840 0.010 0.000 0.863 31 L CB -0.566 41.501 42.059 0.013 0.000 1.140 31 L HN 0.682 nan 8.230 nan 0.000 0.463 32 G N 4.405 113.211 108.800 0.010 0.000 2.712 32 G HA2 -0.151 3.809 3.960 0.001 0.000 0.683 32 G HA3 -0.151 3.809 3.960 0.001 0.000 0.683 32 G C -2.133 172.769 174.900 0.003 0.000 1.320 32 G CA -0.343 44.763 45.100 0.010 0.000 0.847 32 G HN 0.549 nan 8.290 nan 0.000 0.553 33 P HA -0.041 nan 4.420 nan 0.000 0.218 33 P C 0.993 178.289 177.300 -0.007 0.000 1.149 33 P CA 1.432 64.526 63.100 -0.010 0.000 0.817 33 P CB 0.052 31.738 31.700 -0.024 0.000 0.785 34 K N 0.440 120.840 120.400 -0.001 0.000 2.596 34 K HA 0.242 4.563 4.320 0.001 0.000 0.211 34 K C 1.057 177.659 176.600 0.004 0.000 1.046 34 K CA -0.262 56.026 56.287 0.001 0.000 1.202 34 K CB 0.027 32.530 32.500 0.006 0.000 0.925 34 K HN 0.077 nan 8.250 nan 0.000 0.486 35 G N 1.325 110.127 108.800 0.003 0.000 2.491 35 G HA2 0.096 4.057 3.960 0.001 0.000 0.242 35 G HA3 0.096 4.057 3.960 0.001 0.000 0.242 35 G C -0.086 174.814 174.900 0.001 0.000 1.266 35 G CA -0.380 44.722 45.100 0.003 0.000 0.844 35 G HN 0.228 nan 8.290 nan 0.000 0.571 36 R N 0.742 121.242 120.500 0.001 0.000 2.810 36 R HA 0.352 4.692 4.340 0.001 0.000 0.245 36 R C -0.374 175.925 176.300 -0.001 0.000 1.168 36 R CA -0.986 55.114 56.100 -0.001 0.000 1.096 36 R CB 0.876 31.175 30.300 -0.001 0.000 1.259 36 R HN 0.461 nan 8.270 nan 0.000 0.518 37 N N -0.249 118.450 118.700 -0.003 0.000 2.477 37 N HA 0.363 5.104 4.740 0.001 0.000 0.284 37 N C -0.948 174.560 175.510 -0.004 0.000 1.182 37 N CA -0.456 52.592 53.050 -0.003 0.000 0.949 37 N CB 1.738 40.223 38.487 -0.004 0.000 1.204 37 N HN 0.122 nan 8.380 nan 0.000 0.526 38 V N 0.929 120.841 119.914 -0.004 0.000 2.555 38 V HA 0.378 4.499 4.120 0.001 0.000 0.302 38 V C -0.058 176.031 176.094 -0.008 0.000 1.038 38 V CA -0.867 61.429 62.300 -0.006 0.000 0.887 38 V CB 1.971 33.792 31.823 -0.004 0.000 0.991 38 V HN 0.290 nan 8.190 nan 0.000 0.434 39 V N 5.887 125.794 119.914 -0.012 0.000 2.407 39 V HA 0.432 4.552 4.120 0.001 0.000 0.278 39 V C -0.187 175.894 176.094 -0.021 0.000 1.037 39 V CA -0.387 61.903 62.300 -0.017 0.000 0.900 39 V CB 1.220 33.031 31.823 -0.020 0.000 0.983 39 V HN 0.619 nan 8.190 nan 0.000 0.459 40 L N 3.925 125.134 121.223 -0.023 0.000 2.295 40 L HA 0.466 4.807 4.340 0.001 0.000 0.281 40 L C 0.076 176.911 176.870 -0.058 0.000 1.018 40 L CA -0.570 54.253 54.840 -0.028 0.000 0.841 40 L CB 1.280 43.334 42.059 -0.009 0.000 1.218 40 L HN 0.530 nan 8.230 nan 0.000 0.424 41 D N 3.538 123.889 120.400 -0.082 0.000 2.390 41 D HA 0.121 4.761 4.640 0.001 0.000 0.236 41 D C -0.378 175.768 176.300 -0.256 0.000 1.189 41 D CA 0.690 54.603 54.000 -0.145 0.000 0.887 41 D CB 0.733 41.452 40.800 -0.135 0.000 1.198 41 D HN 0.371 nan 8.370 nan 0.000 0.444 42 K N 0.876 121.012 120.400 -0.441 0.000 2.707 42 K HA 0.118 4.438 4.320 0.001 0.000 0.283 42 K C 0.840 176.814 176.600 -1.043 0.000 1.105 42 K CA -0.307 55.367 56.287 -1.021 0.000 1.018 42 K CB 1.047 33.209 32.500 -0.564 0.000 1.315 42 K HN 0.340 nan 8.250 nan 0.000 0.495 43 S N 2.716 117.726 115.700 -1.149 0.000 2.377 43 S HA -0.266 4.204 4.470 0.001 0.000 0.224 43 S C 1.563 176.012 174.600 -0.252 0.000 1.042 43 S CA 1.750 59.672 58.200 -0.463 0.000 1.086 43 S CB -0.782 62.325 63.200 -0.156 0.000 0.995 43 S HN 0.530 nan 8.310 nan 0.000 0.428 44 F N 2.604 122.549 119.950 -0.007 0.000 2.442 44 F HA -0.195 4.333 4.527 0.001 0.000 0.279 44 F C 1.889 177.685 175.800 -0.007 0.000 1.191 44 F CA 0.756 58.752 58.000 -0.007 0.000 1.443 44 F CB -1.991 37.004 39.000 -0.008 0.000 0.833 44 F HN 0.588 nan 8.300 nan 0.000 0.539 45 G N -1.480 107.390 108.800 0.117 0.000 3.212 45 G HA2 0.679 4.639 3.960 0.001 0.000 0.188 45 G HA3 0.679 4.639 3.960 0.001 0.000 0.188 45 G C -0.837 174.048 174.900 -0.025 0.000 1.254 45 G CA -0.340 44.790 45.100 0.050 0.000 0.957 45 G HN 0.647 nan 8.290 nan 0.000 0.596 46 A N 0.035 122.847 122.820 -0.013 0.000 2.366 46 A HA 0.674 4.994 4.320 0.001 0.000 0.249 46 A C -1.990 175.564 177.584 -0.049 0.000 1.084 46 A CA -0.705 51.312 52.037 -0.033 0.000 0.794 46 A CB -0.315 18.675 19.000 -0.016 0.000 1.034 46 A HN 0.399 nan 8.150 nan 0.000 0.491 47 P HA 0.182 nan 4.420 nan 0.000 0.271 47 P C -0.215 177.067 177.300 -0.031 0.000 1.238 47 P CA 0.217 63.280 63.100 -0.062 0.000 0.794 47 P CB 0.360 32.026 31.700 -0.057 0.000 0.959 48 T N 1.197 115.736 114.554 -0.024 0.000 2.807 48 T HA 0.550 4.900 4.350 0.001 0.000 0.279 48 T C -0.049 174.645 174.700 -0.009 0.000 0.993 48 T CA -0.272 61.823 62.100 -0.007 0.000 0.970 48 T CB 0.153 69.025 68.868 0.006 0.000 0.950 48 T HN 0.099 nan 8.240 nan 0.000 0.441 49 I N 2.551 123.117 120.570 -0.006 0.000 2.385 49 I HA 0.579 4.749 4.170 0.001 0.000 0.294 49 I C 0.532 176.647 176.117 -0.003 0.000 0.988 49 I CA -0.141 61.155 61.300 -0.006 0.000 1.265 49 I CB 1.905 39.901 38.000 -0.007 0.000 1.388 49 I HN 0.458 nan 8.210 nan 0.000 0.480 50 T N 4.001 118.553 114.554 -0.003 0.000 3.012 50 T HA 0.264 4.614 4.350 0.001 0.000 0.330 50 T C 0.115 174.814 174.700 -0.003 0.000 1.321 50 T CA -0.623 61.476 62.100 -0.002 0.000 1.067 50 T CB 1.457 70.325 68.868 -0.001 0.000 1.235 50 T HN 0.707 nan 8.240 nan 0.000 0.479 51 K N 1.522 121.920 120.400 -0.003 0.000 2.352 51 K HA 0.176 4.496 4.320 0.001 0.000 0.194 51 K C 0.070 176.668 176.600 -0.003 0.000 1.038 51 K CA -0.002 56.283 56.287 -0.003 0.000 1.023 51 K CB 0.286 32.784 32.500 -0.003 0.000 0.840 51 K HN 0.512 nan 8.250 nan 0.000 0.519 52 D N -0.089 120.307 120.400 -0.006 0.000 2.344 52 D HA 0.057 4.697 4.640 0.001 0.000 0.253 52 D C 1.118 177.414 176.300 -0.007 0.000 1.255 52 D CA 0.107 54.101 54.000 -0.009 0.000 0.894 52 D CB 1.171 41.962 40.800 -0.015 0.000 1.067 52 D HN 0.247 nan 8.370 nan 0.000 0.492 53 G N 2.806 111.603 108.800 -0.005 0.000 2.469 53 G HA2 -0.272 3.688 3.960 0.001 0.000 0.220 53 G HA3 -0.272 3.688 3.960 0.001 0.000 0.220 53 G C 1.496 176.395 174.900 -0.002 0.000 1.136 53 G CA 0.832 45.932 45.100 -0.001 0.000 0.759 53 G HN 0.505 nan 8.290 nan 0.000 0.562 54 V N 0.358 120.268 119.914 -0.008 0.000 2.427 54 V HA -0.107 4.013 4.120 0.001 0.000 0.248 54 V C 2.874 178.963 176.094 -0.008 0.000 1.051 54 V CA 2.721 65.015 62.300 -0.010 0.000 1.048 54 V CB -0.292 31.520 31.823 -0.020 0.000 0.666 54 V HN 0.333 nan 8.190 nan 0.000 0.456 55 S N -0.314 115.382 115.700 -0.007 0.000 2.368 55 S HA -0.151 4.319 4.470 0.001 0.000 0.225 55 S C 1.863 176.466 174.600 0.004 0.000 1.030 55 S CA 1.616 59.816 58.200 -0.000 0.000 0.999 55 S CB -0.150 63.049 63.200 -0.001 0.000 0.844 55 S HN 0.514 nan 8.310 nan 0.000 0.459 56 V N 2.040 121.955 119.914 0.002 0.000 2.295 56 V HA -0.220 3.900 4.120 0.001 0.000 0.246 56 V C 2.626 178.723 176.094 0.004 0.000 1.049 56 V CA 1.740 64.042 62.300 0.003 0.000 1.024 56 V CB -1.284 30.540 31.823 0.002 0.000 0.648 56 V HN 0.531 nan 8.190 nan 0.000 0.447 57 A N 0.484 123.305 122.820 0.003 0.000 1.851 57 A HA -0.263 4.058 4.320 0.001 0.000 0.216 57 A C 2.283 179.868 177.584 0.003 0.000 1.195 57 A CA 2.039 54.077 52.037 0.002 0.000 0.622 57 A CB -0.653 18.347 19.000 -0.000 0.000 0.831 57 A HN 0.522 nan 8.150 nan 0.000 0.444 58 R N -0.271 120.230 120.500 0.001 0.000 2.276 58 R HA -0.141 4.200 4.340 0.001 0.000 0.243 58 R C 1.202 177.510 176.300 0.013 0.000 1.161 58 R CA 1.277 57.379 56.100 0.004 0.000 1.007 58 R CB -0.266 30.036 30.300 0.003 0.000 0.867 58 R HN 0.585 nan 8.270 nan 0.000 0.472 59 E N 0.179 120.389 120.200 0.016 0.000 2.415 59 E HA 0.080 4.431 4.350 0.001 0.000 0.197 59 E C 0.533 177.142 176.600 0.015 0.000 1.007 59 E CA 0.074 56.488 56.400 0.023 0.000 0.890 59 E CB 0.396 30.110 29.700 0.023 0.000 0.891 59 E HN 0.147 nan 8.360 nan 0.000 0.496 60 I N 2.211 122.786 120.570 0.009 0.000 2.533 60 I HA 0.125 4.296 4.170 0.001 0.000 0.284 60 I C 0.378 176.499 176.117 0.006 0.000 1.109 60 I CA 0.352 61.657 61.300 0.007 0.000 1.412 60 I CB 0.230 38.233 38.000 0.006 0.000 1.396 60 I HN -0.024 nan 8.210 nan 0.000 0.543 61 E N 6.153 126.356 120.200 0.006 0.000 2.304 61 E HA 0.471 4.822 4.350 0.001 0.000 0.277 61 E C -1.802 174.799 176.600 0.002 0.000 0.898 61 E CA -0.659 55.743 56.400 0.003 0.000 0.764 61 E CB 1.923 31.625 29.700 0.003 0.000 1.216 61 E HN 0.247 nan 8.360 nan 0.000 0.419 62 L N 2.918 124.141 121.223 0.000 0.000 2.331 62 L HA 0.372 4.712 4.340 0.001 0.000 0.268 62 L C 1.358 178.226 176.870 -0.003 0.000 1.015 62 L CA -0.011 54.831 54.840 0.003 0.000 0.807 62 L CB 1.177 43.242 42.059 0.011 0.000 1.293 62 L HN 0.836 nan 8.230 nan 0.000 0.451 63 E N -0.342 119.858 120.200 -0.000 0.000 2.075 63 E HA -0.095 4.255 4.350 0.001 0.000 0.190 63 E C -0.029 176.565 176.600 -0.010 0.000 0.969 63 E CA 0.065 56.462 56.400 -0.006 0.000 0.815 63 E CB 0.314 30.013 29.700 -0.002 0.000 0.776 63 E HN 0.654 nan 8.360 nan 0.000 0.457 64 D N 1.218 121.623 120.400 0.009 0.000 2.434 64 D HA -0.071 4.569 4.640 0.001 0.000 0.252 64 D C 0.680 176.980 176.300 -0.000 0.000 1.185 64 D CA 0.231 54.246 54.000 0.025 0.000 0.886 64 D CB 0.963 41.803 40.800 0.067 0.000 1.148 64 D HN -0.029 nan 8.370 nan 0.000 0.483 65 K N 3.397 123.745 120.400 -0.086 0.000 2.211 65 K HA -0.101 4.219 4.320 0.001 0.000 0.203 65 K C 1.619 178.096 176.600 -0.206 0.000 1.050 65 K CA 0.714 56.883 56.287 -0.197 0.000 0.945 65 K CB -0.039 32.255 32.500 -0.345 0.000 0.732 65 K HN 0.474 nan 8.250 nan 0.000 0.451 66 F N 1.572 121.510 119.950 -0.020 0.000 2.147 66 F HA -0.021 4.506 4.527 0.001 0.000 0.291 66 F C 2.316 178.105 175.800 -0.018 0.000 1.093 66 F CA 0.863 58.849 58.000 -0.024 0.000 1.263 66 F CB -0.480 38.504 39.000 -0.027 0.000 1.036 66 F HN 0.032 nan 8.300 nan 0.000 0.481 67 E N 0.128 120.442 120.200 0.190 0.000 2.070 67 E HA -0.315 4.036 4.350 0.001 0.000 0.197 67 E C 1.889 178.524 176.600 0.059 0.000 1.004 67 E CA 1.563 58.022 56.400 0.097 0.000 0.805 67 E CB -0.449 29.294 29.700 0.072 0.000 0.744 67 E HN 0.273 nan 8.360 nan 0.000 0.451 68 N N 0.648 119.368 118.700 0.035 0.000 2.060 68 N HA -0.202 4.538 4.740 0.001 0.000 0.195 68 N C 1.734 177.251 175.510 0.011 0.000 1.028 68 N CA 1.532 54.587 53.050 0.008 0.000 0.861 68 N CB -0.099 38.376 38.487 -0.020 0.000 1.029 68 N HN 0.107 nan 8.380 nan 0.000 0.428 69 M N -0.609 119.003 119.600 0.020 0.000 2.086 69 M HA -0.064 4.417 4.480 0.001 0.000 0.261 69 M C 2.116 178.435 176.300 0.032 0.000 1.067 69 M CA 1.704 57.017 55.300 0.023 0.000 1.116 69 M CB -0.704 31.922 32.600 0.044 0.000 1.348 69 M HN 0.338 nan 8.290 nan 0.000 0.407 70 G N 0.060 108.888 108.800 0.047 0.000 2.672 70 G HA2 -0.321 3.640 3.960 0.001 0.000 0.218 70 G HA3 -0.321 3.640 3.960 0.001 0.000 0.218 70 G C 1.523 176.437 174.900 0.023 0.000 1.238 70 G CA 1.449 46.570 45.100 0.036 0.000 0.791 70 G HN 0.580 nan 8.290 nan 0.000 0.606 71 A N -0.681 122.152 122.820 0.021 0.000 1.940 71 A HA -0.088 4.233 4.320 0.001 0.000 0.219 71 A C 2.363 179.952 177.584 0.008 0.000 1.176 71 A CA 2.085 54.130 52.037 0.014 0.000 0.631 71 A CB -0.356 18.652 19.000 0.012 0.000 0.814 71 A HN 0.374 nan 8.150 nan 0.000 0.446 72 Q N -1.155 118.648 119.800 0.006 0.000 2.364 72 Q HA -0.002 4.339 4.340 0.001 0.000 0.207 72 Q C 1.933 177.932 176.000 -0.001 0.000 0.970 72 Q CA 1.054 56.857 55.803 -0.001 0.000 0.888 72 Q CB -0.220 28.515 28.738 -0.005 0.000 0.951 72 Q HN 0.796 nan 8.270 nan 0.000 0.469 73 M N -0.676 118.927 119.600 0.005 0.000 2.257 73 M HA -0.098 4.382 4.480 0.001 0.000 0.260 73 M C 2.163 178.466 176.300 0.005 0.000 1.102 73 M CA 0.803 56.106 55.300 0.005 0.000 1.169 73 M CB -0.017 32.590 32.600 0.011 0.000 1.323 73 M HN 0.000 nan 8.290 nan 0.000 0.447 74 V N -0.188 119.733 119.914 0.010 0.000 2.469 74 V HA -0.287 3.834 4.120 0.001 0.000 0.251 74 V C 2.082 178.180 176.094 0.005 0.000 1.064 74 V CA 2.033 64.340 62.300 0.012 0.000 1.066 74 V CB -1.480 30.352 31.823 0.015 0.000 0.667 74 V HN 0.527 nan 8.190 nan 0.000 0.461 75 K N 0.639 121.039 120.400 0.001 0.000 2.362 75 K HA -0.285 4.035 4.320 0.001 0.000 0.202 75 K C 2.137 178.726 176.600 -0.017 0.000 1.045 75 K CA 1.999 58.283 56.287 -0.006 0.000 0.936 75 K CB -0.148 32.348 32.500 -0.006 0.000 0.747 75 K HN 0.709 nan 8.250 nan 0.000 0.467 76 E N 0.272 120.459 120.200 -0.021 0.000 2.230 76 E HA -0.108 4.243 4.350 0.001 0.000 0.192 76 E C 1.892 178.454 176.600 -0.064 0.000 0.987 76 E CA 0.661 57.035 56.400 -0.044 0.000 0.841 76 E CB 0.203 29.879 29.700 -0.040 0.000 0.783 76 E HN 0.295 nan 8.360 nan 0.000 0.481 77 V N 0.246 120.146 119.914 -0.022 0.000 2.270 77 V HA -0.154 3.966 4.120 0.001 0.000 0.245 77 V C 2.224 178.313 176.094 -0.008 0.000 1.043 77 V CA 2.085 64.387 62.300 0.005 0.000 1.014 77 V CB -0.579 31.281 31.823 0.061 0.000 0.645 77 V HN 0.267 nan 8.190 nan 0.000 0.447 78 A N -0.309 122.510 122.820 -0.000 0.000 1.972 78 A HA -0.186 4.135 4.320 0.001 0.000 0.219 78 A C 2.584 180.152 177.584 -0.026 0.000 1.169 78 A CA 2.447 54.485 52.037 0.001 0.000 0.635 78 A CB -1.067 17.934 19.000 0.002 0.000 0.810 78 A HN 0.730 nan 8.150 nan 0.000 0.446 79 S N -1.068 114.602 115.700 -0.050 0.000 2.371 79 S HA -0.117 4.354 4.470 0.001 0.000 0.224 79 S C 2.208 176.740 174.600 -0.113 0.000 1.029 79 S CA 1.423 59.583 58.200 -0.067 0.000 0.978 79 S CB -0.250 62.912 63.200 -0.062 0.000 0.833 79 S HN 0.434 nan 8.310 nan 0.000 0.466 80 K N 1.365 121.641 120.400 -0.206 0.000 2.001 80 K HA 0.074 4.394 4.320 0.001 0.000 0.208 80 K C 2.351 178.738 176.600 -0.354 0.000 1.048 80 K CA 1.209 57.245 56.287 -0.418 0.000 0.932 80 K CB -1.105 30.918 32.500 -0.795 0.000 0.715 80 K HN 0.378 nan 8.250 nan 0.000 0.437 81 A N 2.342 125.077 122.820 -0.142 0.000 1.894 81 A HA -0.316 4.005 4.320 0.001 0.000 0.220 81 A C 2.080 179.712 177.584 0.080 0.000 1.237 81 A CA 2.441 54.573 52.037 0.159 0.000 0.660 81 A CB -1.176 17.917 19.000 0.155 0.000 0.835 81 A HN 0.581 nan 8.150 nan 0.000 0.461 82 N N -0.427 118.280 118.700 0.010 0.000 2.094 82 N HA -0.201 4.539 4.740 0.001 0.000 0.191 82 N C 0.957 176.473 175.510 0.009 0.000 1.023 82 N CA 1.829 54.875 53.050 -0.007 0.000 0.857 82 N CB -0.319 38.148 38.487 -0.033 0.000 1.013 82 N HN 0.562 nan 8.380 nan 0.000 0.426 83 D N -0.010 120.388 120.400 -0.003 0.000 2.277 83 D HA -0.026 4.614 4.640 0.001 0.000 0.208 83 D C 1.544 177.885 176.300 0.069 0.000 0.962 83 D CA 0.618 54.630 54.000 0.020 0.000 0.865 83 D CB 0.108 40.897 40.800 -0.019 0.000 0.939 83 D HN 0.397 nan 8.370 nan 0.000 0.510 84 A N 1.259 124.137 122.820 0.097 0.000 1.941 84 A HA 0.374 4.694 4.320 0.001 0.000 0.214 84 A C 2.225 179.898 177.584 0.150 0.000 1.368 84 A CA 1.079 53.206 52.037 0.150 0.000 0.651 84 A CB -0.663 18.502 19.000 0.275 0.000 1.064 84 A HN 0.170 nan 8.150 nan 0.000 0.492 85 A N -1.760 121.154 122.820 0.158 0.000 1.825 85 A HA 0.353 4.673 4.320 0.001 0.000 0.214 85 A C 2.103 179.783 177.584 0.160 0.000 1.206 85 A CA 2.387 54.504 52.037 0.134 0.000 0.609 85 A CB -1.096 17.972 19.000 0.114 0.000 0.851 85 A HN 1.998 nan 8.150 nan 0.000 0.445 86 G N -2.250 106.611 108.800 0.101 0.000 2.211 86 G HA2 -0.049 3.911 3.960 0.001 0.000 0.201 86 G HA3 -0.049 3.911 3.960 0.001 0.000 0.201 86 G C -0.171 174.700 174.900 -0.049 0.000 0.997 86 G CA 0.621 45.710 45.100 -0.018 0.000 0.652 86 G HN 0.844 nan 8.290 nan 0.000 0.500 87 D N -2.155 118.256 120.400 0.017 0.000 2.692 87 D HA 0.551 5.192 4.640 0.001 0.000 0.303 87 D C 1.141 177.460 176.300 0.032 0.000 1.278 87 D CA 1.037 55.045 54.000 0.013 0.000 0.852 87 D CB 0.664 41.480 40.800 0.026 0.000 1.375 87 D HN 1.337 nan 8.370 nan 0.000 0.453 88 G N -0.355 108.461 108.800 0.027 0.000 2.184 88 G HA2 -0.336 3.625 3.960 0.001 0.000 0.264 88 G HA3 -0.336 3.625 3.960 0.001 0.000 0.264 88 G C 1.023 175.947 174.900 0.040 0.000 0.975 88 G CA 1.921 47.042 45.100 0.035 0.000 0.642 88 G HN 0.825 nan 8.290 nan 0.000 0.536 89 T N -2.431 112.142 114.554 0.031 0.000 2.788 89 T HA -0.108 4.243 4.350 0.001 0.000 0.268 89 T C 2.202 176.917 174.700 0.025 0.000 1.044 89 T CA 2.508 64.625 62.100 0.029 0.000 1.139 89 T CB -0.650 68.224 68.868 0.010 0.000 0.867 89 T HN 0.343 nan 8.240 nan 0.000 0.454 90 T N 1.749 116.314 114.554 0.019 0.000 2.777 90 T HA -0.076 4.274 4.350 0.001 0.000 0.266 90 T C 2.251 176.964 174.700 0.023 0.000 1.040 90 T CA 1.748 63.858 62.100 0.017 0.000 1.141 90 T CB -0.903 67.973 68.868 0.013 0.000 0.868 90 T HN 0.493 nan 8.240 nan 0.000 0.444 91 T N 2.086 116.655 114.554 0.026 0.000 2.622 91 T HA -0.085 4.265 4.350 0.001 0.000 0.266 91 T C 2.391 177.111 174.700 0.033 0.000 1.047 91 T CA 1.351 63.467 62.100 0.027 0.000 1.159 91 T CB -0.755 68.129 68.868 0.027 0.000 0.863 91 T HN 0.423 nan 8.240 nan 0.000 0.422 92 A N 1.231 124.078 122.820 0.045 0.000 1.896 92 A HA -0.268 4.052 4.320 0.001 0.000 0.220 92 A C 2.541 180.154 177.584 0.049 0.000 1.206 92 A CA 2.754 54.828 52.037 0.062 0.000 0.647 92 A CB -1.551 17.507 19.000 0.095 0.000 0.828 92 A HN 0.515 nan 8.150 nan 0.000 0.455 93 T N -0.558 114.019 114.554 0.038 0.000 2.788 93 T HA -0.095 4.255 4.350 0.001 0.000 0.268 93 T C 1.836 176.551 174.700 0.025 0.000 1.044 93 T CA 1.607 63.725 62.100 0.029 0.000 1.139 93 T CB -0.401 68.480 68.868 0.021 0.000 0.867 93 T HN 0.225 nan 8.240 nan 0.000 0.454 94 V N 1.129 121.057 119.914 0.024 0.000 2.548 94 V HA -0.028 4.092 4.120 0.001 0.000 0.249 94 V C 2.368 178.474 176.094 0.020 0.000 1.055 94 V CA 1.143 63.455 62.300 0.020 0.000 1.065 94 V CB -0.667 31.167 31.823 0.018 0.000 0.681 94 V HN 0.411 nan 8.190 nan 0.000 0.462 95 L N 0.273 121.511 121.223 0.024 0.000 2.044 95 L HA -0.072 4.269 4.340 0.001 0.000 0.205 95 L C 2.795 179.680 176.870 0.024 0.000 1.075 95 L CA 1.498 56.352 54.840 0.023 0.000 0.747 95 L CB -0.766 41.308 42.059 0.024 0.000 0.903 95 L HN 0.329 nan 8.230 nan 0.000 0.435 96 A N 0.375 123.213 122.820 0.030 0.000 1.908 96 A HA -0.306 4.014 4.320 0.001 0.000 0.218 96 A C 2.193 179.791 177.584 0.024 0.000 1.181 96 A CA 2.084 54.139 52.037 0.031 0.000 0.627 96 A CB -0.678 18.344 19.000 0.037 0.000 0.818 96 A HN 0.589 nan 8.150 nan 0.000 0.445 97 Q N -0.459 119.353 119.800 0.021 0.000 2.291 97 Q HA 0.144 4.484 4.340 0.001 0.000 0.205 97 Q C 1.683 177.692 176.000 0.015 0.000 0.970 97 Q CA 1.792 57.605 55.803 0.017 0.000 0.876 97 Q CB -0.365 28.382 28.738 0.015 0.000 0.935 97 Q HN 0.493 nan 8.270 nan 0.000 0.455 98 A N 0.669 123.498 122.820 0.015 0.000 1.887 98 A HA 0.098 4.419 4.320 0.001 0.000 0.212 98 A C 2.048 179.640 177.584 0.012 0.000 1.198 98 A CA 0.758 52.803 52.037 0.013 0.000 0.628 98 A CB -0.409 18.598 19.000 0.013 0.000 0.847 98 A HN 0.404 nan 8.150 nan 0.000 0.449 99 I N 0.072 120.651 120.570 0.015 0.000 2.163 99 I HA -0.296 3.874 4.170 0.001 0.000 0.243 99 I C 2.313 178.438 176.117 0.014 0.000 1.085 99 I CA 1.495 62.804 61.300 0.014 0.000 1.347 99 I CB -0.439 37.571 38.000 0.017 0.000 1.044 99 I HN 0.293 nan 8.210 nan 0.000 0.408 100 I N 0.425 121.004 120.570 0.015 0.000 2.127 100 I HA -0.314 3.856 4.170 0.001 0.000 0.241 100 I C 2.598 178.721 176.117 0.011 0.000 1.075 100 I CA 1.857 63.165 61.300 0.014 0.000 1.334 100 I CB -0.670 37.339 38.000 0.015 0.000 1.040 100 I HN 0.253 nan 8.210 nan 0.000 0.405 101 T N -0.128 114.432 114.554 0.010 0.000 2.720 101 T HA -0.170 4.181 4.350 0.001 0.000 0.268 101 T C 1.848 176.552 174.700 0.007 0.000 1.037 101 T CA 1.267 63.372 62.100 0.008 0.000 1.144 101 T CB -0.154 68.718 68.868 0.008 0.000 0.864 101 T HN 0.259 nan 8.240 nan 0.000 0.444 102 E N 0.579 120.784 120.200 0.008 0.000 2.051 102 E HA 0.073 4.423 4.350 0.001 0.000 0.189 102 E C 2.514 179.118 176.600 0.007 0.000 0.979 102 E CA 0.896 57.300 56.400 0.007 0.000 0.803 102 E CB -1.007 28.697 29.700 0.007 0.000 0.761 102 E HN 0.487 nan 8.360 nan 0.000 0.451 103 G N 2.105 110.910 108.800 0.008 0.000 2.721 103 G HA2 -0.298 3.662 3.960 0.001 0.000 0.218 103 G HA3 -0.298 3.662 3.960 0.001 0.000 0.218 103 G C 1.662 176.566 174.900 0.008 0.000 1.265 103 G CA 1.438 46.544 45.100 0.009 0.000 0.796 103 G HN 0.269 nan 8.290 nan 0.000 0.620 104 L N 0.257 121.484 121.223 0.007 0.000 2.189 104 L HA -0.095 4.245 4.340 0.001 0.000 0.214 104 L C 2.820 179.692 176.870 0.004 0.000 1.097 104 L CA 1.458 56.301 54.840 0.006 0.000 0.764 104 L CB -0.374 41.688 42.059 0.004 0.000 0.900 104 L HN 0.254 nan 8.230 nan 0.000 0.436 105 K N 0.333 120.735 120.400 0.004 0.000 2.097 105 K HA -0.147 4.173 4.320 0.001 0.000 0.205 105 K C 2.178 178.780 176.600 0.003 0.000 1.050 105 K CA 1.192 57.481 56.287 0.003 0.000 0.938 105 K CB -0.004 32.498 32.500 0.003 0.000 0.718 105 K HN 0.309 nan 8.250 nan 0.000 0.442 106 A N 0.449 123.272 122.820 0.004 0.000 1.897 106 A HA -0.067 4.254 4.320 0.001 0.000 0.215 106 A C 2.153 179.740 177.584 0.005 0.000 1.181 106 A CA 1.062 53.101 52.037 0.005 0.000 0.620 106 A CB -0.444 18.559 19.000 0.005 0.000 0.821 106 A HN 0.128 nan 8.150 nan 0.000 0.443 107 V N 0.022 119.940 119.914 0.006 0.000 2.392 107 V HA -0.260 3.860 4.120 0.001 0.000 0.249 107 V C 2.889 178.986 176.094 0.005 0.000 1.059 107 V CA 1.876 64.180 62.300 0.007 0.000 1.051 107 V CB -1.028 30.800 31.823 0.008 0.000 0.658 107 V HN 0.593 nan 8.190 nan 0.000 0.455 108 A N -0.502 122.321 122.820 0.004 0.000 2.168 108 A HA 0.219 4.539 4.320 0.001 0.000 0.215 108 A C 2.146 179.731 177.584 0.002 0.000 1.152 108 A CA 1.219 53.258 52.037 0.003 0.000 0.716 108 A CB -0.359 18.642 19.000 0.001 0.000 0.794 108 A HN 0.550 nan 8.150 nan 0.000 0.465 109 A N -1.854 120.968 122.820 0.003 0.000 2.251 109 A HA 0.430 4.751 4.320 0.001 0.000 0.209 109 A C 1.739 179.324 177.584 0.002 0.000 1.187 109 A CA 1.135 53.173 52.037 0.002 0.000 0.823 109 A CB -0.620 18.381 19.000 0.002 0.000 0.846 109 A HN 1.702 nan 8.150 nan 0.000 0.486 110 G N -1.903 106.899 108.800 0.003 0.000 2.175 110 G HA2 -0.252 3.708 3.960 0.001 0.000 0.244 110 G HA3 -0.252 3.708 3.960 0.001 0.000 0.244 110 G C 0.232 175.134 174.900 0.004 0.000 0.982 110 G CA 0.315 45.417 45.100 0.003 0.000 0.641 110 G HN 0.360 nan 8.290 nan 0.000 0.527 111 M N 0.889 120.492 119.600 0.004 0.000 2.252 111 M HA 0.282 4.762 4.480 0.001 0.000 0.321 111 M C 0.785 177.089 176.300 0.007 0.000 1.070 111 M CA 0.027 55.330 55.300 0.005 0.000 1.143 111 M CB 0.279 32.883 32.600 0.005 0.000 1.498 111 M HN 0.290 nan 8.290 nan 0.000 0.445 112 N N 2.915 121.619 118.700 0.007 0.000 2.406 112 N HA 0.237 4.978 4.740 0.001 0.000 0.251 112 N C -2.301 173.215 175.510 0.010 0.000 1.069 112 N CA -1.922 51.133 53.050 0.008 0.000 0.947 112 N CB 0.871 39.363 38.487 0.008 0.000 1.111 112 N HN 0.201 nan 8.380 nan 0.000 0.497 113 P HA -0.161 nan 4.420 nan 0.000 0.216 113 P C 1.299 178.607 177.300 0.013 0.000 1.153 113 P CA 1.090 64.197 63.100 0.013 0.000 0.858 113 P CB 0.121 31.829 31.700 0.015 0.000 0.789 114 M N -0.822 118.786 119.600 0.013 0.000 2.446 114 M HA -0.113 4.367 4.480 0.001 0.000 0.263 114 M C 1.049 177.356 176.300 0.011 0.000 1.066 114 M CA 1.604 56.912 55.300 0.013 0.000 1.087 114 M CB -1.071 31.537 32.600 0.013 0.000 1.406 114 M HN -0.204 nan 8.290 nan 0.000 0.459 115 D N -0.776 119.630 120.400 0.010 0.000 2.201 115 D HA 0.009 4.649 4.640 0.001 0.000 0.209 115 D C 2.031 178.337 176.300 0.009 0.000 0.961 115 D CA 0.949 54.955 54.000 0.009 0.000 0.861 115 D CB -0.158 40.646 40.800 0.007 0.000 0.997 115 D HN 0.326 nan 8.370 nan 0.000 0.486 116 L N 0.996 122.224 121.223 0.009 0.000 2.043 116 L HA -0.211 4.130 4.340 0.001 0.000 0.212 116 L C 2.512 179.388 176.870 0.010 0.000 1.075 116 L CA 1.265 56.111 54.840 0.009 0.000 0.752 116 L CB -0.377 41.688 42.059 0.009 0.000 0.891 116 L HN 0.027 nan 8.230 nan 0.000 0.432 117 K N 0.342 120.749 120.400 0.011 0.000 2.009 117 K HA -0.214 4.106 4.320 0.001 0.000 0.210 117 K C 2.299 178.906 176.600 0.011 0.000 1.049 117 K CA 1.480 57.775 56.287 0.013 0.000 0.929 117 K CB -0.053 32.456 32.500 0.014 0.000 0.714 117 K HN 0.195 nan 8.250 nan 0.000 0.440 118 R N -0.281 120.225 120.500 0.010 0.000 2.105 118 R HA -0.127 4.213 4.340 0.001 0.000 0.239 118 R C 2.407 178.711 176.300 0.008 0.000 1.135 118 R CA 1.378 57.484 56.100 0.009 0.000 0.967 118 R CB -0.547 29.758 30.300 0.008 0.000 0.861 118 R HN 0.435 nan 8.270 nan 0.000 0.442 119 G N 1.517 110.321 108.800 0.007 0.000 2.464 119 G HA2 -0.233 3.727 3.960 0.001 0.000 0.214 119 G HA3 -0.233 3.727 3.960 0.001 0.000 0.214 119 G C 1.467 176.371 174.900 0.006 0.000 1.218 119 G CA 0.578 45.682 45.100 0.006 0.000 0.794 119 G HN 0.131 nan 8.290 nan 0.000 0.542 120 I N 1.347 121.922 120.570 0.007 0.000 2.121 120 I HA -0.290 3.881 4.170 0.001 0.000 0.243 120 I C 2.441 178.562 176.117 0.006 0.000 1.047 120 I CA 1.894 63.199 61.300 0.008 0.000 1.308 120 I CB -0.165 37.841 38.000 0.011 0.000 1.015 120 I HN 0.119 nan 8.210 nan 0.000 0.410 121 D N 0.246 120.650 120.400 0.008 0.000 2.117 121 D HA -0.204 4.436 4.640 0.001 0.000 0.197 121 D C 2.098 178.400 176.300 0.003 0.000 0.987 121 D CA 1.183 55.186 54.000 0.006 0.000 0.829 121 D CB -0.286 40.520 40.800 0.009 0.000 0.961 121 D HN 0.337 nan 8.370 nan 0.000 0.460 122 K N 0.699 121.101 120.400 0.003 0.000 2.026 122 K HA -0.108 4.212 4.320 0.001 0.000 0.208 122 K C 2.068 178.669 176.600 0.000 0.000 1.048 122 K CA 1.226 57.514 56.287 0.002 0.000 0.929 122 K CB -0.048 32.453 32.500 0.003 0.000 0.713 122 K HN 0.009 nan 8.250 nan 0.000 0.439 123 A N 0.639 123.459 122.820 0.001 0.000 1.908 123 A HA -0.148 4.172 4.320 0.001 0.000 0.218 123 A C 2.241 179.824 177.584 -0.002 0.000 1.181 123 A CA 1.808 53.845 52.037 0.001 0.000 0.627 123 A CB -0.712 18.289 19.000 0.002 0.000 0.818 123 A HN 0.192 nan 8.150 nan 0.000 0.445 124 V N -0.203 119.708 119.914 -0.004 0.000 2.358 124 V HA -0.210 3.910 4.120 0.001 0.000 0.246 124 V C 2.703 178.789 176.094 -0.014 0.000 1.047 124 V CA 2.399 64.693 62.300 -0.010 0.000 1.035 124 V CB -1.172 30.644 31.823 -0.012 0.000 0.658 124 V HN 0.639 nan 8.190 nan 0.000 0.452 125 T N 0.242 114.790 114.554 -0.010 0.000 2.881 125 T HA -0.125 4.225 4.350 0.001 0.000 0.270 125 T C 1.910 176.604 174.700 -0.010 0.000 1.068 125 T CA 1.454 63.548 62.100 -0.011 0.000 1.131 125 T CB -0.271 68.594 68.868 -0.006 0.000 0.871 125 T HN 0.572 nan 8.240 nan 0.000 0.479 126 A N 1.224 124.040 122.820 -0.007 0.000 1.878 126 A HA 0.491 4.811 4.320 0.001 0.000 0.213 126 A C 2.657 180.238 177.584 -0.006 0.000 1.192 126 A CA 1.137 53.171 52.037 -0.005 0.000 0.619 126 A CB -1.035 17.964 19.000 -0.002 0.000 0.837 126 A HN 0.454 nan 8.150 nan 0.000 0.446 127 A N -0.228 122.588 122.820 -0.007 0.000 1.940 127 A HA -0.054 4.267 4.320 0.001 0.000 0.219 127 A C 2.197 179.773 177.584 -0.012 0.000 1.176 127 A CA 1.927 53.960 52.037 -0.007 0.000 0.631 127 A CB -0.960 18.035 19.000 -0.008 0.000 0.814 127 A HN 0.382 nan 8.150 nan 0.000 0.446 128 V N -0.075 119.828 119.914 -0.018 0.000 2.343 128 V HA -0.215 3.905 4.120 0.001 0.000 0.247 128 V C 2.642 178.726 176.094 -0.016 0.000 1.051 128 V CA 2.204 64.490 62.300 -0.023 0.000 1.036 128 V CB -0.722 31.081 31.823 -0.034 0.000 0.654 128 V HN 0.479 nan 8.190 nan 0.000 0.451 129 E N -0.048 120.146 120.200 -0.011 0.000 2.058 129 E HA -0.194 4.156 4.350 0.001 0.000 0.194 129 E C 2.338 178.935 176.600 -0.005 0.000 0.997 129 E CA 1.146 57.541 56.400 -0.007 0.000 0.801 129 E CB -0.324 29.373 29.700 -0.005 0.000 0.746 129 E HN 0.510 nan 8.360 nan 0.000 0.450 130 E N 0.286 120.484 120.200 -0.003 0.000 2.051 130 E HA -0.118 4.233 4.350 0.001 0.000 0.192 130 E C 2.405 179.005 176.600 0.000 0.000 0.991 130 E CA 0.478 56.878 56.400 -0.000 0.000 0.799 130 E CB -0.330 29.371 29.700 0.001 0.000 0.748 130 E HN 0.282 nan 8.360 nan 0.000 0.449 131 L N 0.538 121.759 121.223 -0.002 0.000 2.079 131 L HA -0.225 4.116 4.340 0.001 0.000 0.210 131 L C 2.393 179.262 176.870 -0.002 0.000 1.081 131 L CA 1.256 56.095 54.840 -0.002 0.000 0.752 131 L CB -0.342 41.713 42.059 -0.007 0.000 0.896 131 L HN 0.013 nan 8.230 nan 0.000 0.433 132 K N -0.094 120.303 120.400 -0.004 0.000 2.211 132 K HA -0.144 4.176 4.320 0.001 0.000 0.204 132 K C 2.054 178.655 176.600 0.000 0.000 1.047 132 K CA 1.309 57.595 56.287 -0.003 0.000 0.935 132 K CB -0.289 32.209 32.500 -0.004 0.000 0.728 132 K HN 0.352 nan 8.250 nan 0.000 0.452 133 A N 0.051 122.872 122.820 0.001 0.000 1.843 133 A HA -0.065 4.255 4.320 0.001 0.000 0.213 133 A C 1.978 179.565 177.584 0.005 0.000 1.202 133 A CA 0.921 52.960 52.037 0.003 0.000 0.607 133 A CB -0.634 18.368 19.000 0.003 0.000 0.847 133 A HN 0.155 nan 8.150 nan 0.000 0.445 134 L N 0.692 121.919 121.223 0.007 0.000 2.081 134 L HA -0.099 4.242 4.340 0.001 0.000 0.212 134 L C 1.811 178.687 176.870 0.010 0.000 1.080 134 L CA 1.595 56.441 54.840 0.010 0.000 0.754 134 L CB -0.622 41.444 42.059 0.012 0.000 0.893 134 L HN 0.401 nan 8.230 nan 0.000 0.433 135 S N -0.320 115.385 115.700 0.007 0.000 2.563 135 S HA 0.217 4.687 4.470 0.001 0.000 0.294 135 S C -0.188 174.417 174.600 0.007 0.000 1.279 135 S CA -0.360 57.844 58.200 0.007 0.000 1.069 135 S CB 0.083 63.286 63.200 0.005 0.000 0.828 135 S HN 0.169 nan 8.310 nan 0.000 0.497 136 V N 3.154 123.073 119.914 0.009 0.000 2.667 136 V HA 0.725 4.845 4.120 0.001 0.000 0.308 136 V C -2.611 173.488 176.094 0.007 0.000 1.048 136 V CA -2.736 59.568 62.300 0.008 0.000 0.928 136 V CB 0.814 32.643 31.823 0.009 0.000 1.004 136 V HN 0.690 nan 8.190 nan 0.000 0.444 137 P HA 0.163 nan 4.420 nan 0.000 0.270 137 P C -0.614 176.690 177.300 0.006 0.000 1.221 137 P CA -0.030 63.073 63.100 0.005 0.000 0.788 137 P CB 0.319 32.021 31.700 0.004 0.000 0.904 138 C N 1.720 121.023 119.300 0.006 0.000 2.571 138 C HA 0.560 5.020 4.460 0.001 0.000 0.343 138 C C 0.946 175.939 174.990 0.005 0.000 1.082 138 C CA 0.568 59.590 59.018 0.006 0.000 1.339 138 C CB -0.658 27.086 27.740 0.007 0.000 1.893 138 C HN 0.694 nan 8.230 nan 0.000 0.445 139 S N 2.262 117.964 115.700 0.004 0.000 2.769 139 S HA 0.202 4.672 4.470 0.001 0.000 0.258 139 S C -0.035 174.566 174.600 0.002 0.000 1.080 139 S CA 0.204 58.406 58.200 0.003 0.000 0.943 139 S CB -0.331 62.870 63.200 0.002 0.000 0.893 139 S HN 0.864 nan 8.310 nan 0.000 0.490 140 D N 2.328 122.730 120.400 0.003 0.000 2.382 140 D HA 0.290 4.931 4.640 0.001 0.000 0.245 140 D C 0.641 176.943 176.300 0.003 0.000 1.120 140 D CA -0.041 53.961 54.000 0.003 0.000 0.890 140 D CB 1.287 42.089 40.800 0.003 0.000 1.201 140 D HN 0.083 nan 8.370 nan 0.000 0.433 141 S N 1.452 117.153 115.700 0.002 0.000 2.407 141 S HA -0.258 4.213 4.470 0.001 0.000 0.235 141 S C 1.589 176.191 174.600 0.003 0.000 1.036 141 S CA 1.637 59.838 58.200 0.002 0.000 1.013 141 S CB -0.241 62.960 63.200 0.002 0.000 0.820 141 S HN 0.688 nan 8.310 nan 0.000 0.476 142 K N 1.093 121.494 120.400 0.002 0.000 2.057 142 K HA -0.028 4.293 4.320 0.001 0.000 0.206 142 K C 2.234 178.836 176.600 0.003 0.000 1.050 142 K CA 1.163 57.452 56.287 0.002 0.000 0.935 142 K CB -0.349 32.153 32.500 0.002 0.000 0.715 142 K HN 0.294 nan 8.250 nan 0.000 0.439 143 A N 1.265 124.087 122.820 0.004 0.000 1.902 143 A HA -0.114 4.206 4.320 0.001 0.000 0.217 143 A C 2.101 179.689 177.584 0.006 0.000 1.181 143 A CA 1.371 53.411 52.037 0.005 0.000 0.623 143 A CB -0.551 18.453 19.000 0.006 0.000 0.818 143 A HN 0.354 nan 8.150 nan 0.000 0.443 144 I N -0.227 120.347 120.570 0.006 0.000 2.179 144 I HA -0.307 3.863 4.170 0.001 0.000 0.242 144 I C 2.989 179.110 176.117 0.007 0.000 1.088 144 I CA 1.126 62.430 61.300 0.007 0.000 1.357 144 I CB -0.293 37.711 38.000 0.006 0.000 1.051 144 I HN 0.363 nan 8.210 nan 0.000 0.409 145 A N -0.129 122.694 122.820 0.006 0.000 1.948 145 A HA -0.305 4.016 4.320 0.001 0.000 0.220 145 A C 2.215 179.801 177.584 0.005 0.000 1.177 145 A CA 1.842 53.882 52.037 0.005 0.000 0.636 145 A CB -0.649 18.353 19.000 0.003 0.000 0.815 145 A HN 0.499 nan 8.150 nan 0.000 0.449 146 Q N -0.666 119.136 119.800 0.004 0.000 2.050 146 Q HA -0.127 4.214 4.340 0.001 0.000 0.202 146 Q C 2.321 178.324 176.000 0.005 0.000 0.980 146 Q CA 2.073 57.878 55.803 0.003 0.000 0.840 146 Q CB -0.511 28.228 28.738 0.002 0.000 0.898 146 Q HN 0.770 nan 8.270 nan 0.000 0.424 147 V N -1.403 118.516 119.914 0.009 0.000 2.343 147 V HA -0.131 3.990 4.120 0.001 0.000 0.247 147 V C 1.973 178.076 176.094 0.015 0.000 1.051 147 V CA 2.265 64.573 62.300 0.012 0.000 1.036 147 V CB -1.523 30.310 31.823 0.016 0.000 0.654 147 V HN 0.383 nan 8.190 nan 0.000 0.451 148 G N -0.040 108.769 108.800 0.015 0.000 2.529 148 G HA2 -0.303 3.657 3.960 0.001 0.000 0.219 148 G HA3 -0.303 3.657 3.960 0.001 0.000 0.219 148 G C 1.609 176.517 174.900 0.012 0.000 1.177 148 G CA 1.893 47.004 45.100 0.017 0.000 0.773 148 G HN 0.525 nan 8.290 nan 0.000 0.573 149 T N 1.018 115.577 114.554 0.007 0.000 2.684 149 T HA -0.102 4.248 4.350 0.001 0.000 0.267 149 T C 2.379 177.080 174.700 0.001 0.000 1.036 149 T CA 1.237 63.339 62.100 0.003 0.000 1.148 149 T CB -0.153 68.714 68.868 -0.001 0.000 0.863 149 T HN 0.153 nan 8.240 nan 0.000 0.436 150 I N 0.659 121.230 120.570 0.002 0.000 2.439 150 I HA -0.069 4.102 4.170 0.001 0.000 0.251 150 I C 2.621 178.740 176.117 0.004 0.000 1.139 150 I CA 0.764 62.064 61.300 -0.000 0.000 1.438 150 I CB -0.400 37.600 38.000 -0.001 0.000 1.085 150 I HN 0.134 nan 8.210 nan 0.000 0.427 151 S N 0.234 115.940 115.700 0.010 0.000 2.370 151 S HA -0.083 4.387 4.470 0.001 0.000 0.226 151 S C 1.810 176.416 174.600 0.010 0.000 1.033 151 S CA 1.248 59.456 58.200 0.013 0.000 1.011 151 S CB -0.249 62.964 63.200 0.023 0.000 0.852 151 S HN 0.436 nan 8.310 nan 0.000 0.457 152 A N 1.095 123.920 122.820 0.008 0.000 2.734 152 A HA 0.355 4.676 4.320 0.001 0.000 0.279 152 A C 0.529 178.113 177.584 0.001 0.000 1.386 152 A CA -0.108 51.933 52.037 0.006 0.000 0.987 152 A CB -1.257 17.748 19.000 0.008 0.000 1.041 152 A HN 0.750 nan 8.150 nan 0.000 0.569 153 N N 0.340 119.040 118.700 -0.000 0.000 2.705 153 N HA -0.220 4.520 4.740 0.001 0.000 0.255 153 N C -0.130 175.376 175.510 -0.007 0.000 1.008 153 N CA 0.473 53.520 53.050 -0.004 0.000 0.742 153 N CB -0.811 37.674 38.487 -0.004 0.000 0.906 153 N HN 0.454 nan 8.380 nan 0.000 0.541 154 S N -0.374 115.321 115.700 -0.008 0.000 3.812 154 S HA -0.191 4.279 4.470 0.001 0.000 0.341 154 S C -0.670 173.924 174.600 -0.010 0.000 1.057 154 S CA 0.902 59.095 58.200 -0.012 0.000 1.015 154 S CB -0.673 62.516 63.200 -0.019 0.000 0.893 154 S HN 0.680 nan 8.310 nan 0.000 0.476 155 D N 0.927 121.324 120.400 -0.006 0.000 2.472 155 D HA 0.287 4.927 4.640 0.001 0.000 0.234 155 D C 1.100 177.398 176.300 -0.002 0.000 1.088 155 D CA -0.480 53.517 54.000 -0.004 0.000 0.882 155 D CB 0.572 41.371 40.800 -0.001 0.000 1.037 155 D HN 0.393 nan 8.370 nan 0.000 0.520 156 E N 0.979 121.176 120.200 -0.004 0.000 2.171 156 E HA -0.162 4.188 4.350 0.001 0.000 0.197 156 E C 1.193 177.793 176.600 -0.001 0.000 0.997 156 E CA 1.392 57.790 56.400 -0.004 0.000 0.810 156 E CB 0.378 30.075 29.700 -0.006 0.000 0.738 156 E HN 0.506 nan 8.360 nan 0.000 0.467 157 T N 0.398 114.951 114.554 -0.001 0.000 2.821 157 T HA -0.095 4.255 4.350 0.001 0.000 0.267 157 T C 2.133 176.835 174.700 0.003 0.000 1.046 157 T CA 0.989 63.089 62.100 0.001 0.000 1.139 157 T CB -0.177 68.691 68.868 0.001 0.000 0.871 157 T HN -0.003 nan 8.240 nan 0.000 0.454 158 V N 1.700 121.616 119.914 0.004 0.000 2.358 158 V HA -0.052 4.068 4.120 0.001 0.000 0.246 158 V C 2.884 178.983 176.094 0.009 0.000 1.047 158 V CA 1.783 64.088 62.300 0.008 0.000 1.035 158 V CB -1.554 30.275 31.823 0.010 0.000 0.658 158 V HN 0.574 nan 8.190 nan 0.000 0.452 159 G N 0.385 109.189 108.800 0.007 0.000 2.511 159 G HA2 -0.380 3.581 3.960 0.001 0.000 0.216 159 G HA3 -0.380 3.581 3.960 0.001 0.000 0.216 159 G C 1.555 176.458 174.900 0.006 0.000 1.218 159 G CA 1.396 46.500 45.100 0.007 0.000 0.788 159 G HN 0.460 nan 8.290 nan 0.000 0.560 160 K N -0.174 120.228 120.400 0.004 0.000 2.089 160 K HA -0.107 4.213 4.320 0.001 0.000 0.210 160 K C 2.328 178.930 176.600 0.004 0.000 1.048 160 K CA 1.179 57.467 56.287 0.003 0.000 0.926 160 K CB -0.666 31.834 32.500 0.001 0.000 0.714 160 K HN 0.255 nan 8.250 nan 0.000 0.448 161 L N 0.367 121.593 121.223 0.005 0.000 2.072 161 L HA 0.063 4.404 4.340 0.001 0.000 0.205 161 L C 2.054 178.928 176.870 0.007 0.000 1.079 161 L CA 1.476 56.320 54.840 0.005 0.000 0.752 161 L CB -0.422 41.641 42.059 0.007 0.000 0.906 161 L HN 0.264 nan 8.230 nan 0.000 0.436 162 I N -0.981 119.594 120.570 0.009 0.000 2.286 162 I HA -0.243 3.928 4.170 0.001 0.000 0.245 162 I C 2.538 178.659 176.117 0.007 0.000 1.104 162 I CA 1.068 62.374 61.300 0.010 0.000 1.397 162 I CB -0.480 37.529 38.000 0.014 0.000 1.072 162 I HN 0.252 nan 8.210 nan 0.000 0.417 163 A N 0.313 123.136 122.820 0.006 0.000 1.883 163 A HA -0.282 4.039 4.320 0.001 0.000 0.217 163 A C 2.241 179.827 177.584 0.003 0.000 1.186 163 A CA 1.982 54.021 52.037 0.004 0.000 0.624 163 A CB -0.724 18.279 19.000 0.004 0.000 0.822 163 A HN 0.436 nan 8.150 nan 0.000 0.444 164 E N -0.562 119.639 120.200 0.003 0.000 2.085 164 E HA -0.161 4.189 4.350 0.001 0.000 0.194 164 E C 2.340 178.941 176.600 0.001 0.000 0.994 164 E CA 0.948 57.349 56.400 0.002 0.000 0.801 164 E CB -0.277 29.424 29.700 0.002 0.000 0.743 164 E HN 0.636 nan 8.360 nan 0.000 0.453 165 A N 1.073 123.894 122.820 0.002 0.000 1.845 165 A HA -0.223 4.098 4.320 0.001 0.000 0.215 165 A C 2.172 179.756 177.584 0.000 0.000 1.195 165 A CA 1.667 53.705 52.037 0.002 0.000 0.616 165 A CB -0.554 18.448 19.000 0.003 0.000 0.832 165 A HN 0.152 nan 8.150 nan 0.000 0.443 166 M N -0.958 118.642 119.600 -0.000 0.000 2.149 166 M HA -0.188 4.293 4.480 0.001 0.000 0.261 166 M C 1.875 178.174 176.300 -0.002 0.000 1.064 166 M CA 2.000 57.298 55.300 -0.002 0.000 1.102 166 M CB -0.633 31.966 32.600 -0.002 0.000 1.369 166 M HN 0.541 nan 8.290 nan 0.000 0.408 167 D N 0.394 120.793 120.400 -0.001 0.000 2.149 167 D HA -0.171 4.470 4.640 0.001 0.000 0.198 167 D C 1.903 178.202 176.300 -0.001 0.000 0.990 167 D CA 1.466 55.466 54.000 -0.001 0.000 0.839 167 D CB 0.218 41.018 40.800 -0.000 0.000 0.948 167 D HN 0.161 nan 8.370 nan 0.000 0.460 168 K N -0.927 119.473 120.400 -0.001 0.000 2.202 168 K HA 0.045 4.365 4.320 0.001 0.000 0.201 168 K C 1.947 178.546 176.600 -0.001 0.000 1.051 168 K CA 0.727 57.013 56.287 -0.001 0.000 0.977 168 K CB 0.391 32.891 32.500 -0.001 0.000 0.792 168 K HN 0.134 nan 8.250 nan 0.000 0.469 169 V N -2.730 117.183 119.914 -0.002 0.000 2.788 169 V HA 0.311 4.432 4.120 0.001 0.000 0.251 169 V C 1.031 177.123 176.094 -0.003 0.000 1.068 169 V CA 0.678 62.977 62.300 -0.002 0.000 1.090 169 V CB -0.795 31.027 31.823 -0.003 0.000 0.710 169 V HN 0.362 nan 8.190 nan 0.000 0.467 170 G N 0.332 109.130 108.800 -0.004 0.000 2.472 170 G HA2 -0.172 3.788 3.960 0.001 0.000 0.205 170 G HA3 -0.172 3.788 3.960 0.001 0.000 0.205 170 G C 0.148 175.044 174.900 -0.006 0.000 1.270 170 G CA 0.173 45.270 45.100 -0.004 0.000 0.974 170 G HN 0.273 nan 8.290 nan 0.000 0.542 171 K N 0.050 120.446 120.400 -0.007 0.000 2.202 171 K HA 0.165 4.485 4.320 0.001 0.000 0.201 171 K C 1.539 178.132 176.600 -0.011 0.000 1.051 171 K CA 0.871 57.153 56.287 -0.008 0.000 0.977 171 K CB 0.115 32.611 32.500 -0.007 0.000 0.792 171 K HN 0.437 nan 8.250 nan 0.000 0.469 172 E N 1.039 121.233 120.200 -0.010 0.000 2.320 172 E HA 0.062 4.412 4.350 0.001 0.000 0.189 172 E C -0.032 176.561 176.600 -0.012 0.000 1.100 172 E CA -0.129 56.264 56.400 -0.012 0.000 1.009 172 E CB 0.621 30.314 29.700 -0.012 0.000 1.145 172 E HN 0.198 nan 8.360 nan 0.000 0.454 173 G N 0.241 109.034 108.800 -0.012 0.000 2.481 173 G HA2 0.443 4.403 3.960 0.001 0.000 0.315 173 G HA3 0.443 4.403 3.960 0.001 0.000 0.315 173 G C -0.425 174.468 174.900 -0.012 0.000 1.231 173 G CA -0.460 44.635 45.100 -0.010 0.000 0.968 173 G HN -0.023 nan 8.290 nan 0.000 0.482 174 V N 1.215 121.124 119.914 -0.009 0.000 2.539 174 V HA 0.532 4.653 4.120 0.001 0.000 0.292 174 V C -0.133 175.958 176.094 -0.005 0.000 1.045 174 V CA -0.527 61.767 62.300 -0.010 0.000 0.945 174 V CB 1.391 33.211 31.823 -0.005 0.000 0.993 174 V HN 0.574 nan 8.190 nan 0.000 0.464 175 I N 3.574 124.140 120.570 -0.008 0.000 2.447 175 I HA 0.481 4.652 4.170 0.001 0.000 0.287 175 I C 0.219 176.340 176.117 0.006 0.000 1.023 175 I CA -0.106 61.194 61.300 -0.000 0.000 1.083 175 I CB 2.215 40.214 38.000 -0.002 0.000 1.245 175 I HN 0.782 nan 8.210 nan 0.000 0.434 176 T N 2.838 117.401 114.554 0.014 0.000 2.950 176 T HA 0.728 5.078 4.350 0.001 0.000 0.288 176 T C -0.570 174.146 174.700 0.026 0.000 1.035 176 T CA -0.939 61.176 62.100 0.024 0.000 1.028 176 T CB 2.413 71.297 68.868 0.026 0.000 1.109 176 T HN 0.325 nan 8.240 nan 0.000 0.514 177 V N 1.059 120.993 119.914 0.033 0.000 2.577 177 V HA 0.681 4.801 4.120 0.001 0.000 0.303 177 V C -1.432 174.678 176.094 0.028 0.000 1.042 177 V CA -0.526 61.792 62.300 0.031 0.000 0.872 177 V CB 1.325 33.171 31.823 0.038 0.000 0.998 177 V HN 1.105 nan 8.190 nan 0.000 0.423 178 E N 3.704 123.917 120.200 0.021 0.000 2.423 178 E HA 0.549 4.900 4.350 0.001 0.000 0.269 178 E C -1.658 174.950 176.600 0.014 0.000 0.948 178 E CA -1.139 55.272 56.400 0.018 0.000 0.802 178 E CB 1.224 30.934 29.700 0.016 0.000 1.339 178 E HN 0.595 nan 8.360 nan 0.000 0.445 179 D N 0.843 121.250 120.400 0.012 0.000 2.425 179 D HA 0.252 4.892 4.640 0.001 0.000 0.247 179 D C 0.112 176.417 176.300 0.007 0.000 1.147 179 D CA 0.226 54.232 54.000 0.009 0.000 0.879 179 D CB 1.113 41.918 40.800 0.009 0.000 1.179 179 D HN 0.523 nan 8.370 nan 0.000 0.456 180 G N 0.021 108.824 108.800 0.006 0.000 2.502 180 G HA2 0.354 4.314 3.960 0.001 0.000 0.305 180 G HA3 0.354 4.314 3.960 0.001 0.000 0.305 180 G C 1.067 175.969 174.900 0.003 0.000 1.190 180 G CA -0.277 44.825 45.100 0.004 0.000 0.933 180 G HN 0.417 nan 8.290 nan 0.000 0.503 181 T N -1.654 112.900 114.554 0.001 0.000 2.901 181 T HA 0.221 4.571 4.350 0.001 0.000 0.252 181 T C 1.576 176.276 174.700 0.001 0.000 1.035 181 T CA 0.893 62.993 62.100 0.001 0.000 1.142 181 T CB -0.455 68.413 68.868 -0.001 0.000 0.869 181 T HN 0.724 nan 8.240 nan 0.000 0.442 182 G N 0.636 109.436 108.800 0.000 0.000 2.516 182 G HA2 0.480 4.441 3.960 0.001 0.000 0.276 182 G HA3 0.480 4.441 3.960 0.001 0.000 0.276 182 G C 0.572 175.472 174.900 0.001 0.000 1.390 182 G CA -0.591 44.509 45.100 0.000 0.000 1.050 182 G HN 0.310 nan 8.290 nan 0.000 0.519 183 L N -0.774 120.449 121.223 0.000 0.000 2.375 183 L HA 0.123 4.463 4.340 0.001 0.000 0.215 183 L C 0.587 177.458 176.870 0.001 0.000 1.108 183 L CA 0.743 55.583 54.840 0.000 0.000 0.830 183 L CB -0.211 41.848 42.059 -0.000 0.000 0.959 183 L HN 0.520 nan 8.230 nan 0.000 0.457 184 Q N -0.577 119.223 119.800 0.001 0.000 2.301 184 Q HA 0.312 4.652 4.340 0.001 0.000 0.267 184 Q C -0.703 175.298 176.000 0.002 0.000 1.035 184 Q CA -0.746 55.057 55.803 0.001 0.000 0.856 184 Q CB 0.839 29.577 28.738 0.000 0.000 1.337 184 Q HN -0.023 nan 8.270 nan 0.000 0.450 185 D N 1.109 121.510 120.400 0.002 0.000 2.382 185 D HA 0.099 4.740 4.640 0.001 0.000 0.240 185 D C -0.498 175.803 176.300 0.003 0.000 1.146 185 D CA 0.248 54.250 54.000 0.003 0.000 0.897 185 D CB 0.905 41.708 40.800 0.004 0.000 1.197 185 D HN 0.590 nan 8.370 nan 0.000 0.432 186 E N 0.489 120.691 120.200 0.003 0.000 2.321 186 E HA 0.331 4.682 4.350 0.001 0.000 0.281 186 E C -1.898 174.704 176.600 0.003 0.000 0.910 186 E CA -0.756 55.645 56.400 0.002 0.000 0.770 186 E CB 1.795 31.496 29.700 0.001 0.000 1.225 186 E HN 0.164 nan 8.360 nan 0.000 0.417 187 L N 4.035 125.260 121.223 0.002 0.000 2.287 187 L HA 0.521 4.861 4.340 0.001 0.000 0.287 187 L C -1.406 175.464 176.870 0.000 0.000 1.022 187 L CA -0.149 54.692 54.840 0.002 0.000 0.814 187 L CB 1.384 43.445 42.059 0.002 0.000 1.217 187 L HN 0.428 nan 8.230 nan 0.000 0.420 188 D N 4.430 124.830 120.400 0.001 0.000 2.391 188 D HA 0.445 5.085 4.640 0.001 0.000 0.245 188 D C -1.038 175.261 176.300 -0.001 0.000 1.069 188 D CA -0.064 53.935 54.000 -0.002 0.000 0.831 188 D CB 2.573 43.371 40.800 -0.003 0.000 1.204 188 D HN 0.272 nan 8.370 nan 0.000 0.503 189 V N 2.577 122.490 119.914 -0.002 0.000 2.409 189 V HA 0.268 4.388 4.120 0.001 0.000 0.291 189 V C 0.111 176.203 176.094 -0.003 0.000 1.020 189 V CA -0.832 61.467 62.300 -0.002 0.000 0.848 189 V CB 2.000 33.822 31.823 -0.001 0.000 0.990 189 V HN 0.268 nan 8.190 nan 0.000 0.430 190 V N 4.582 124.495 119.914 -0.002 0.000 2.383 190 V HA 0.388 4.509 4.120 0.001 0.000 0.275 190 V C 0.246 176.340 176.094 0.001 0.000 1.036 190 V CA -0.672 61.626 62.300 -0.003 0.000 0.889 190 V CB 1.189 33.011 31.823 -0.003 0.000 0.985 190 V HN 0.778 nan 8.190 nan 0.000 0.459 191 E N 3.096 123.295 120.200 -0.001 0.000 2.301 191 E HA 0.538 4.888 4.350 0.001 0.000 0.275 191 E C 0.849 177.453 176.600 0.006 0.000 1.030 191 E CA 0.830 57.231 56.400 0.001 0.000 0.852 191 E CB 1.698 31.398 29.700 -0.001 0.000 1.060 191 E HN 0.958 nan 8.360 nan 0.000 0.401 192 G N 2.755 111.561 108.800 0.009 0.000 2.528 192 G HA2 -0.316 3.645 3.960 0.001 0.000 0.262 192 G HA3 -0.316 3.645 3.960 0.001 0.000 0.262 192 G C -0.137 174.779 174.900 0.026 0.000 1.200 192 G CA 0.268 45.377 45.100 0.015 0.000 0.951 192 G HN 0.534 nan 8.290 nan 0.000 0.566 193 M N 0.988 120.614 119.600 0.043 0.000 2.364 193 M HA 0.673 5.153 4.480 0.001 0.000 0.334 193 M C -0.391 175.969 176.300 0.100 0.000 1.107 193 M CA -0.568 54.776 55.300 0.073 0.000 0.988 193 M CB 1.559 34.210 32.600 0.085 0.000 1.673 193 M HN 0.904 nan 8.290 nan 0.000 0.441 194 Q N 4.589 124.458 119.800 0.114 0.000 2.377 194 Q HA 0.611 4.952 4.340 0.001 0.000 0.279 194 Q C -2.226 173.875 176.000 0.169 0.000 1.049 194 Q CA -0.692 55.156 55.803 0.074 0.000 0.825 194 Q CB 2.396 31.121 28.738 -0.022 0.000 1.401 194 Q HN 0.733 nan 8.270 nan 0.000 0.404 195 F N -0.638 119.303 119.950 -0.016 0.000 2.613 195 F HA 0.503 5.031 4.527 0.001 0.000 0.314 195 F C -0.784 175.004 175.800 -0.020 0.000 1.075 195 F CA -1.219 56.769 58.000 -0.021 0.000 0.945 195 F CB 1.106 40.089 39.000 -0.029 0.000 1.310 195 F HN 0.324 nan 8.300 nan 0.000 0.467 196 D N 2.500 122.974 120.400 0.124 0.000 2.441 196 D HA 0.220 4.861 4.640 0.001 0.000 0.243 196 D C -0.512 175.814 176.300 0.043 0.000 1.257 196 D CA 0.518 54.536 54.000 0.031 0.000 1.027 196 D CB 0.255 41.096 40.800 0.068 0.000 1.084 196 D HN 0.462 nan 8.370 nan 0.000 0.514 197 R N 0.462 120.895 120.500 -0.111 0.000 2.523 197 R HA 0.427 4.768 4.340 0.001 0.000 0.278 197 R C -0.515 175.680 176.300 -0.174 0.000 1.150 197 R CA -0.529 55.532 56.100 -0.065 0.000 0.987 197 R CB 1.456 31.835 30.300 0.132 0.000 1.232 197 R HN 0.290 nan 8.270 nan 0.000 0.424 198 G N 1.981 110.686 108.800 -0.158 0.000 2.462 198 G HA2 0.372 4.333 3.960 0.001 0.000 0.319 198 G HA3 0.372 4.333 3.960 0.001 0.000 0.319 198 G C -0.867 173.929 174.900 -0.173 0.000 1.171 198 G CA -0.596 44.325 45.100 -0.298 0.000 0.920 198 G HN 0.528 nan 8.290 nan 0.000 0.499 199 Y N -0.623 119.685 120.300 0.014 0.000 2.702 199 Y HA 0.267 4.817 4.550 0.001 0.000 0.336 199 Y C 1.103 177.026 175.900 0.039 0.000 1.235 199 Y CA -0.977 57.154 58.100 0.051 0.000 1.492 199 Y CB 0.333 38.843 38.460 0.084 0.000 1.308 199 Y HN 0.211 nan 8.280 nan 0.000 0.589 200 L N 1.635 123.014 121.223 0.260 0.000 2.375 200 L HA 0.057 4.398 4.340 0.001 0.000 0.215 200 L C 1.086 178.057 176.870 0.168 0.000 1.108 200 L CA 0.874 55.817 54.840 0.172 0.000 0.830 200 L CB 0.025 42.150 42.059 0.110 0.000 0.959 200 L HN 0.751 nan 8.230 nan 0.000 0.457 201 S N 0.830 116.636 115.700 0.176 0.000 2.528 201 S HA 0.301 4.772 4.470 0.001 0.000 0.303 201 S C -1.543 173.018 174.600 -0.066 0.000 1.123 201 S CA -1.561 56.690 58.200 0.084 0.000 1.138 201 S CB 0.807 64.045 63.200 0.064 0.000 0.984 201 S HN -0.066 nan 8.310 nan 0.000 0.474 202 P HA -0.056 nan 4.420 nan 0.000 0.223 202 P C 0.157 177.178 177.300 -0.466 0.000 1.151 202 P CA 0.767 63.575 63.100 -0.487 0.000 0.787 202 P CB -0.177 31.305 31.700 -0.363 0.000 0.788 203 Y N -1.442 118.813 120.300 -0.075 0.000 2.581 203 Y HA 0.193 4.743 4.550 0.001 0.000 0.346 203 Y C 1.736 177.669 175.900 0.056 0.000 1.147 203 Y CA 0.002 58.087 58.100 -0.024 0.000 1.353 203 Y CB -1.286 37.175 38.460 0.002 0.000 1.187 203 Y HN -0.010 nan 8.280 nan 0.000 0.505 204 F N -1.021 118.849 119.950 -0.134 0.000 2.778 204 F HA 0.299 4.827 4.527 0.001 0.000 0.314 204 F C 0.655 176.375 175.800 -0.133 0.000 1.073 204 F CA -0.296 57.638 58.000 -0.110 0.000 1.218 204 F CB 0.563 39.497 39.000 -0.110 0.000 1.037 204 F HN -0.189 nan 8.300 nan 0.000 0.594 205 I N 4.442 124.816 120.570 -0.328 0.000 3.247 205 I HA -0.263 3.907 4.170 0.001 0.000 0.309 205 I C 0.879 176.828 176.117 -0.280 0.000 1.246 205 I CA 0.564 61.659 61.300 -0.342 0.000 1.384 205 I CB 0.001 37.861 38.000 -0.234 0.000 1.401 205 I HN 0.402 nan 8.210 nan 0.000 0.520 206 N N 6.630 125.112 118.700 -0.363 0.000 2.314 206 N HA -0.006 4.734 4.740 0.001 0.000 0.200 206 N C -0.129 175.296 175.510 -0.141 0.000 1.135 206 N CA 0.062 52.968 53.050 -0.240 0.000 0.835 206 N CB 0.531 38.848 38.487 -0.284 0.000 0.989 206 N HN 0.479 nan 8.380 nan 0.000 0.478 207 K N 0.997 121.323 120.400 -0.124 0.000 2.803 207 K HA 0.262 4.583 4.320 0.001 0.000 0.229 207 K C -2.354 174.212 176.600 -0.056 0.000 1.084 207 K CA -1.177 55.065 56.287 -0.075 0.000 1.063 207 K CB 2.325 34.786 32.500 -0.065 0.000 1.254 207 K HN -0.134 nan 8.250 nan 0.000 0.551 208 P HA -0.093 nan 4.420 nan 0.000 0.231 208 P C 0.586 177.875 177.300 -0.018 0.000 1.158 208 P CA 0.928 64.011 63.100 -0.029 0.000 0.763 208 P CB 0.552 32.240 31.700 -0.020 0.000 0.805 209 E N -0.738 119.451 120.200 -0.019 0.000 2.047 209 E HA -0.116 4.234 4.350 0.001 0.000 0.191 209 E C 1.921 178.515 176.600 -0.010 0.000 0.987 209 E CA 1.978 58.370 56.400 -0.013 0.000 0.799 209 E CB -1.158 28.533 29.700 -0.015 0.000 0.752 209 E HN 0.336 nan 8.360 nan 0.000 0.449 210 T N -3.367 111.180 114.554 -0.012 0.000 3.057 210 T HA 0.248 4.598 4.350 0.001 0.000 0.254 210 T C 1.460 176.164 174.700 0.006 0.000 1.094 210 T CA 0.251 62.347 62.100 -0.006 0.000 1.088 210 T CB 0.236 69.098 68.868 -0.011 0.000 0.934 210 T HN 0.278 nan 8.240 nan 0.000 0.497 211 G N 1.199 110.002 108.800 0.006 0.000 2.256 211 G HA2 0.193 4.154 3.960 0.001 0.000 0.272 211 G HA3 0.193 4.154 3.960 0.001 0.000 0.272 211 G C 0.019 174.968 174.900 0.081 0.000 1.076 211 G CA -0.116 45.003 45.100 0.031 0.000 0.882 211 G HN 1.235 nan 8.290 nan 0.000 0.497 212 A N -1.290 121.551 122.820 0.035 0.000 2.556 212 A HA 0.885 5.206 4.320 0.001 0.000 0.294 212 A C -0.359 177.201 177.584 -0.039 0.000 1.091 212 A CA -0.318 51.756 52.037 0.062 0.000 0.704 212 A CB 1.960 20.979 19.000 0.031 0.000 1.300 212 A HN 1.293 nan 8.150 nan 0.000 0.406 213 V N 1.334 121.225 119.914 -0.038 0.000 2.407 213 V HA 0.342 4.462 4.120 0.001 0.000 0.278 213 V C -0.092 175.935 176.094 -0.112 0.000 1.037 213 V CA -0.044 62.147 62.300 -0.182 0.000 0.900 213 V CB 1.034 32.722 31.823 -0.224 0.000 0.983 213 V HN 0.870 nan 8.190 nan 0.000 0.459 214 E N 5.358 125.476 120.200 -0.137 0.000 2.376 214 E HA 0.373 4.724 4.350 0.001 0.000 0.236 214 E C -0.984 175.580 176.600 -0.060 0.000 0.962 214 E CA -0.309 56.047 56.400 -0.075 0.000 0.768 214 E CB 1.144 30.806 29.700 -0.063 0.000 1.236 214 E HN 0.578 nan 8.360 nan 0.000 0.431 215 L N 2.788 123.997 121.223 -0.024 0.000 2.325 215 L HA 0.199 4.540 4.340 0.001 0.000 0.284 215 L C 0.415 177.288 176.870 0.006 0.000 1.089 215 L CA -0.383 54.465 54.840 0.013 0.000 0.836 215 L CB 0.315 42.417 42.059 0.072 0.000 1.184 215 L HN 0.371 nan 8.230 nan 0.000 0.444 216 E N 3.264 123.463 120.200 -0.001 0.000 2.180 216 E HA 0.039 4.389 4.350 0.001 0.000 0.283 216 E C 0.424 177.010 176.600 -0.024 0.000 1.061 216 E CA 0.030 56.422 56.400 -0.013 0.000 0.861 216 E CB 0.731 30.423 29.700 -0.013 0.000 1.056 216 E HN 0.492 nan 8.360 nan 0.000 0.407 217 S N 4.588 120.264 115.700 -0.040 0.000 3.405 217 S HA -0.116 4.355 4.470 0.001 0.000 0.373 217 S C -2.453 172.070 174.600 -0.129 0.000 0.939 217 S CA 0.357 58.508 58.200 -0.080 0.000 1.295 217 S CB -0.870 62.279 63.200 -0.084 0.000 0.919 217 S HN 0.522 nan 8.310 nan 0.000 0.535 218 P HA 0.611 nan 4.420 nan 0.000 0.286 218 P C -0.062 177.143 177.300 -0.157 0.000 1.292 218 P CA -0.876 62.178 63.100 -0.076 0.000 0.842 218 P CB 0.454 32.180 31.700 0.044 0.000 1.207 219 F N -0.423 119.550 119.950 0.039 0.000 2.370 219 F HA 0.433 4.960 4.527 0.001 0.000 0.324 219 F C 0.746 176.570 175.800 0.040 0.000 1.116 219 F CA 0.091 58.111 58.000 0.033 0.000 1.123 219 F CB 0.410 39.426 39.000 0.027 0.000 1.238 219 F HN 0.007 nan 8.300 nan 0.000 0.536 220 I N 2.932 123.660 120.570 0.263 0.000 2.478 220 I HA 0.275 4.445 4.170 0.001 0.000 0.287 220 I C -1.379 174.811 176.117 0.121 0.000 1.042 220 I CA -0.692 60.702 61.300 0.158 0.000 1.067 220 I CB 1.872 39.940 38.000 0.114 0.000 1.233 220 I HN 0.262 nan 8.210 nan 0.000 0.431 221 L N 7.775 129.052 121.223 0.090 0.000 2.282 221 L HA 0.548 4.889 4.340 0.001 0.000 0.288 221 L C -1.120 175.773 176.870 0.038 0.000 1.033 221 L CA -0.068 54.802 54.840 0.051 0.000 0.807 221 L CB 0.915 42.994 42.059 0.032 0.000 1.209 221 L HN 0.474 nan 8.230 nan 0.000 0.423 222 L N 6.481 127.717 121.223 0.021 0.000 2.297 222 L HA 0.592 4.933 4.340 0.001 0.000 0.277 222 L C -0.006 176.863 176.870 -0.002 0.000 1.040 222 L CA -0.566 54.277 54.840 0.005 0.000 0.867 222 L CB 1.133 43.188 42.059 -0.007 0.000 1.244 222 L HN 0.808 nan 8.230 nan 0.000 0.433 223 A N 1.478 124.298 122.820 0.000 0.000 2.260 223 A HA 0.207 4.527 4.320 0.001 0.000 0.312 223 A C 0.625 178.205 177.584 -0.007 0.000 1.321 223 A CA -0.517 51.519 52.037 -0.002 0.000 0.928 223 A CB 0.706 19.708 19.000 0.004 0.000 1.158 223 A HN 0.775 nan 8.150 nan 0.000 0.542 224 D N 2.405 122.799 120.400 -0.010 0.000 2.097 224 D HA -0.110 4.530 4.640 0.001 0.000 0.197 224 D C 0.941 177.238 176.300 -0.005 0.000 0.984 224 D CA 1.731 55.723 54.000 -0.013 0.000 0.826 224 D CB 0.007 40.799 40.800 -0.013 0.000 0.973 224 D HN 0.666 nan 8.370 nan 0.000 0.460 225 K N 0.516 120.915 120.400 -0.002 0.000 2.149 225 K HA 0.131 4.452 4.320 0.001 0.000 0.245 225 K C -0.097 176.507 176.600 0.007 0.000 1.024 225 K CA -0.498 55.791 56.287 0.003 0.000 0.899 225 K CB 0.177 32.678 32.500 0.002 0.000 1.038 225 K HN -0.026 nan 8.250 nan 0.000 0.496 226 K N 1.025 121.432 120.400 0.010 0.000 2.172 226 K HA 0.336 4.656 4.320 0.001 0.000 0.276 226 K C -0.668 175.939 176.600 0.011 0.000 1.013 226 K CA -0.522 55.773 56.287 0.014 0.000 0.913 226 K CB 0.680 33.191 32.500 0.018 0.000 1.055 226 K HN 0.507 nan 8.250 nan 0.000 0.461 227 I N 1.829 122.406 120.570 0.012 0.000 2.440 227 I HA 0.031 4.202 4.170 0.001 0.000 0.294 227 I C 0.871 176.994 176.117 0.010 0.000 0.995 227 I CA -0.079 61.226 61.300 0.009 0.000 1.306 227 I CB 1.783 39.788 38.000 0.007 0.000 1.407 227 I HN 0.910 nan 8.210 nan 0.000 0.501 228 S N 3.014 118.718 115.700 0.007 0.000 2.617 228 S HA 0.242 4.713 4.470 0.001 0.000 0.278 228 S C -0.299 174.303 174.600 0.003 0.000 1.082 228 S CA -0.273 57.932 58.200 0.007 0.000 1.228 228 S CB 0.140 63.345 63.200 0.008 0.000 1.130 228 S HN 0.748 nan 8.310 nan 0.000 0.621 229 N N 1.286 119.986 118.700 0.000 0.000 2.321 229 N HA 0.420 5.160 4.740 0.001 0.000 0.299 229 N C 0.060 175.566 175.510 -0.006 0.000 1.048 229 N CA -0.618 52.430 53.050 -0.003 0.000 0.836 229 N CB 1.270 39.756 38.487 -0.003 0.000 1.269 229 N HN 0.016 nan 8.380 nan 0.000 0.486 230 I N 1.249 121.814 120.570 -0.008 0.000 2.756 230 I HA -0.034 4.137 4.170 0.001 0.000 0.262 230 I C 2.124 178.233 176.117 -0.013 0.000 1.225 230 I CA 1.083 62.376 61.300 -0.012 0.000 1.472 230 I CB -0.190 37.802 38.000 -0.014 0.000 1.094 230 I HN 0.573 nan 8.210 nan 0.000 0.454 231 R N 0.544 121.038 120.500 -0.011 0.000 2.097 231 R HA -0.254 4.086 4.340 0.001 0.000 0.236 231 R C 2.065 178.358 176.300 -0.013 0.000 1.135 231 R CA 2.271 58.365 56.100 -0.011 0.000 0.934 231 R CB -0.257 30.038 30.300 -0.008 0.000 0.846 231 R HN 0.351 nan 8.270 nan 0.000 0.431 232 E N -0.530 119.663 120.200 -0.012 0.000 2.267 232 E HA -0.190 4.160 4.350 0.001 0.000 0.197 232 E C 1.846 178.436 176.600 -0.017 0.000 0.998 232 E CA 1.254 57.646 56.400 -0.013 0.000 0.830 232 E CB 0.056 29.750 29.700 -0.010 0.000 0.751 232 E HN 0.299 nan 8.360 nan 0.000 0.491 233 M N -0.396 119.193 119.600 -0.018 0.000 2.193 233 M HA -0.011 4.470 4.480 0.001 0.000 0.265 233 M C 2.160 178.444 176.300 -0.027 0.000 1.071 233 M CA 1.056 56.342 55.300 -0.022 0.000 1.140 233 M CB -0.879 31.707 32.600 -0.022 0.000 1.369 233 M HN 0.155 nan 8.290 nan 0.000 0.423 234 L N 0.014 121.223 121.223 -0.023 0.000 2.030 234 L HA -0.286 4.054 4.340 0.001 0.000 0.222 234 L C -0.327 176.526 176.870 -0.028 0.000 1.082 234 L CA 2.098 56.924 54.840 -0.024 0.000 0.785 234 L CB -2.413 39.635 42.059 -0.019 0.000 0.895 234 L HN 0.180 nan 8.230 nan 0.000 0.439 235 P HA -0.157 nan 4.420 nan 0.000 0.214 235 P C 1.816 179.088 177.300 -0.047 0.000 1.163 235 P CA 1.501 64.580 63.100 -0.034 0.000 0.889 235 P CB 0.008 31.690 31.700 -0.030 0.000 0.790 236 V N -1.032 118.850 119.914 -0.053 0.000 2.346 236 V HA -0.126 3.995 4.120 0.001 0.000 0.244 236 V C 2.483 178.528 176.094 -0.081 0.000 1.037 236 V CA 1.049 63.302 62.300 -0.077 0.000 1.029 236 V CB -1.411 30.367 31.823 -0.075 0.000 0.663 236 V HN 0.011 nan 8.190 nan 0.000 0.454 237 L N 0.277 121.467 121.223 -0.056 0.000 2.129 237 L HA -0.251 4.090 4.340 0.001 0.000 0.212 237 L C 2.640 179.485 176.870 -0.043 0.000 1.087 237 L CA 1.929 56.742 54.840 -0.045 0.000 0.757 237 L CB -0.166 41.873 42.059 -0.033 0.000 0.896 237 L HN 0.415 nan 8.230 nan 0.000 0.434 238 E N -0.082 120.092 120.200 -0.043 0.000 2.028 238 E HA -0.198 4.153 4.350 0.001 0.000 0.191 238 E C 2.067 178.640 176.600 -0.046 0.000 0.988 238 E CA 1.610 57.988 56.400 -0.037 0.000 0.799 238 E CB -0.284 29.396 29.700 -0.032 0.000 0.755 238 E HN 0.447 nan 8.360 nan 0.000 0.447 239 A N 0.090 122.868 122.820 -0.071 0.000 2.019 239 A HA -0.122 4.199 4.320 0.001 0.000 0.219 239 A C 2.406 179.921 177.584 -0.115 0.000 1.164 239 A CA 1.639 53.621 52.037 -0.093 0.000 0.644 239 A CB -0.552 18.373 19.000 -0.125 0.000 0.805 239 A HN 0.206 nan 8.150 nan 0.000 0.449 240 V N -0.546 119.292 119.914 -0.127 0.000 2.591 240 V HA -0.130 3.991 4.120 0.001 0.000 0.249 240 V C 2.915 179.016 176.094 0.012 0.000 1.053 240 V CA 1.524 63.772 62.300 -0.087 0.000 1.068 240 V CB -1.119 30.662 31.823 -0.071 0.000 0.689 240 V HN 0.570 nan 8.190 nan 0.000 0.462 241 A N -0.068 122.751 122.820 -0.002 0.000 2.015 241 A HA -0.143 4.178 4.320 0.001 0.000 0.219 241 A C 2.073 179.669 177.584 0.020 0.000 1.163 241 A CA 1.390 53.436 52.037 0.014 0.000 0.646 241 A CB -0.276 18.724 19.000 0.002 0.000 0.806 241 A HN 0.551 nan 8.150 nan 0.000 0.448 242 K N -0.912 119.494 120.400 0.011 0.000 2.397 242 K HA 0.406 4.726 4.320 0.001 0.000 0.202 242 K C 1.016 177.635 176.600 0.033 0.000 1.022 242 K CA 0.419 56.716 56.287 0.016 0.000 1.141 242 K CB 0.402 32.904 32.500 0.003 0.000 0.857 242 K HN 0.385 nan 8.250 nan 0.000 0.514 243 A N -0.129 122.725 122.820 0.057 0.000 2.211 243 A HA 0.395 4.716 4.320 0.001 0.000 0.208 243 A C 1.458 179.118 177.584 0.127 0.000 1.250 243 A CA 0.698 52.800 52.037 0.108 0.000 0.935 243 A CB 0.242 19.341 19.000 0.165 0.000 0.982 243 A HN 0.322 nan 8.150 nan 0.000 0.490 244 G N 0.099 108.964 108.800 0.108 0.000 2.579 244 G HA2 -0.290 3.670 3.960 0.001 0.000 0.222 244 G HA3 -0.290 3.670 3.960 0.001 0.000 0.222 244 G C 0.438 175.404 174.900 0.110 0.000 1.201 244 G CA 0.388 45.543 45.100 0.090 0.000 0.710 244 G HN 0.567 nan 8.290 nan 0.000 0.516 245 K N 2.415 122.906 120.400 0.152 0.000 2.485 245 K HA 0.385 4.705 4.320 0.001 0.000 0.277 245 K C -1.959 174.752 176.600 0.184 0.000 0.990 245 K CA -0.703 55.660 56.287 0.125 0.000 0.994 245 K CB 0.525 33.043 32.500 0.030 0.000 0.906 245 K HN 0.240 nan 8.250 nan 0.000 0.488 246 P HA 0.072 nan 4.420 nan 0.000 0.275 246 P C -1.281 176.143 177.300 0.207 0.000 1.270 246 P CA -0.451 62.743 63.100 0.157 0.000 0.791 246 P CB 0.456 32.235 31.700 0.133 0.000 1.089 247 L N 0.240 121.576 121.223 0.188 0.000 2.470 247 L HA 0.552 4.892 4.340 0.001 0.000 0.268 247 L C -1.731 175.231 176.870 0.153 0.000 0.964 247 L CA -0.848 54.105 54.840 0.188 0.000 0.839 247 L CB 1.640 43.789 42.059 0.150 0.000 1.276 247 L HN 0.098 nan 8.230 nan 0.000 0.403 248 L N 5.918 127.234 121.223 0.155 0.000 2.307 248 L HA 0.679 5.020 4.340 0.001 0.000 0.282 248 L C -1.105 175.834 176.870 0.115 0.000 1.051 248 L CA 0.117 55.044 54.840 0.144 0.000 0.804 248 L CB 1.261 43.411 42.059 0.152 0.000 1.197 248 L HN 0.614 nan 8.230 nan 0.000 0.431 249 I N 6.545 127.174 120.570 0.098 0.000 2.390 249 I HA 0.348 4.519 4.170 0.001 0.000 0.283 249 I C -0.633 175.535 176.117 0.086 0.000 1.016 249 I CA -0.077 61.267 61.300 0.073 0.000 1.151 249 I CB 1.108 39.132 38.000 0.040 0.000 1.293 249 I HN 0.467 nan 8.210 nan 0.000 0.458 250 I N 6.303 126.922 120.570 0.081 0.000 2.310 250 I HA 0.560 4.730 4.170 0.001 0.000 0.287 250 I C 0.540 176.678 176.117 0.036 0.000 1.073 250 I CA 0.012 61.359 61.300 0.078 0.000 1.216 250 I CB 0.678 38.718 38.000 0.067 0.000 1.415 250 I HN 0.605 nan 8.210 nan 0.000 0.480 251 A N 4.551 127.396 122.820 0.041 0.000 2.309 251 A HA 0.427 4.748 4.320 0.001 0.000 0.317 251 A C 1.102 178.699 177.584 0.022 0.000 1.134 251 A CA -0.522 51.529 52.037 0.024 0.000 0.866 251 A CB 1.000 20.015 19.000 0.025 0.000 1.329 251 A HN 0.721 nan 8.150 nan 0.000 0.477 252 E N -0.602 119.607 120.200 0.015 0.000 2.085 252 E HA -0.149 4.202 4.350 0.001 0.000 0.194 252 E C -0.323 176.297 176.600 0.033 0.000 0.994 252 E CA 1.462 57.873 56.400 0.019 0.000 0.801 252 E CB 0.161 29.871 29.700 0.016 0.000 0.743 252 E HN 0.615 nan 8.360 nan 0.000 0.453 253 D N -1.559 118.861 120.400 0.033 0.000 2.685 253 D HA 0.199 4.840 4.640 0.001 0.000 0.236 253 D C -1.794 174.526 176.300 0.033 0.000 1.233 253 D CA -0.458 53.565 54.000 0.038 0.000 0.760 253 D CB 2.281 43.102 40.800 0.036 0.000 1.410 253 D HN -0.103 nan 8.370 nan 0.000 0.439 254 V N 2.585 122.521 119.914 0.037 0.000 2.525 254 V HA 0.500 4.621 4.120 0.001 0.000 0.299 254 V C 0.168 176.280 176.094 0.031 0.000 1.034 254 V CA -0.502 61.816 62.300 0.029 0.000 0.863 254 V CB 1.681 33.520 31.823 0.028 0.000 0.999 254 V HN 0.650 nan 8.190 nan 0.000 0.423 255 E N 3.206 123.420 120.200 0.024 0.000 2.296 255 E HA 0.783 5.133 4.350 0.001 0.000 0.224 255 E C 0.530 177.141 176.600 0.019 0.000 0.949 255 E CA -0.391 56.024 56.400 0.025 0.000 0.879 255 E CB 1.015 30.730 29.700 0.026 0.000 1.922 255 E HN 1.128 nan 8.360 nan 0.000 0.437 256 G N 0.978 109.789 108.800 0.019 0.000 2.581 256 G HA2 -0.411 3.550 3.960 0.001 0.000 0.291 256 G HA3 -0.411 3.550 3.960 0.001 0.000 0.291 256 G C 0.620 175.528 174.900 0.012 0.000 1.277 256 G CA 1.096 46.204 45.100 0.014 0.000 0.959 256 G HN 0.790 nan 8.290 nan 0.000 0.554 257 E N 0.181 120.385 120.200 0.007 0.000 2.208 257 E HA 0.364 4.715 4.350 0.001 0.000 0.193 257 E C 2.705 179.304 176.600 -0.002 0.000 0.988 257 E CA 2.090 58.492 56.400 0.002 0.000 0.828 257 E CB -0.741 28.958 29.700 -0.001 0.000 0.763 257 E HN 1.296 nan 8.360 nan 0.000 0.478 258 A N 1.678 124.497 122.820 -0.002 0.000 1.869 258 A HA -0.229 4.091 4.320 0.001 0.000 0.218 258 A C 2.222 179.799 177.584 -0.011 0.000 1.203 258 A CA 1.934 53.967 52.037 -0.007 0.000 0.638 258 A CB -1.054 17.943 19.000 -0.004 0.000 0.831 258 A HN 0.325 nan 8.150 nan 0.000 0.450 259 L N -0.405 120.817 121.223 -0.001 0.000 1.989 259 L HA -0.122 4.219 4.340 0.001 0.000 0.211 259 L C 2.783 179.653 176.870 0.000 0.000 1.071 259 L CA 2.484 57.324 54.840 0.001 0.000 0.749 259 L CB -0.897 41.176 42.059 0.022 0.000 0.890 259 L HN 0.402 nan 8.230 nan 0.000 0.431 260 A N -1.242 121.584 122.820 0.009 0.000 1.908 260 A HA -0.271 4.049 4.320 0.001 0.000 0.218 260 A C 2.339 179.918 177.584 -0.010 0.000 1.181 260 A CA 2.785 54.827 52.037 0.009 0.000 0.627 260 A CB -1.423 17.582 19.000 0.009 0.000 0.818 260 A HN 0.650 nan 8.150 nan 0.000 0.445 261 T N -1.281 113.262 114.554 -0.017 0.000 2.737 261 T HA -0.066 4.284 4.350 0.001 0.000 0.265 261 T C 1.841 176.516 174.700 -0.041 0.000 1.038 261 T CA 1.295 63.380 62.100 -0.026 0.000 1.144 261 T CB -0.721 68.133 68.868 -0.023 0.000 0.866 261 T HN 0.265 nan 8.240 nan 0.000 0.434 262 L N 1.098 122.289 121.223 -0.054 0.000 2.089 262 L HA -0.162 4.178 4.340 0.001 0.000 0.213 262 L C 2.895 179.689 176.870 -0.126 0.000 1.079 262 L CA 1.155 55.937 54.840 -0.096 0.000 0.758 262 L CB -0.888 41.102 42.059 -0.114 0.000 0.891 262 L HN 0.207 nan 8.230 nan 0.000 0.433 263 V N -0.824 119.040 119.914 -0.083 0.000 2.237 263 V HA -0.264 3.856 4.120 0.001 0.000 0.245 263 V C 2.365 178.438 176.094 -0.036 0.000 1.046 263 V CA 1.896 64.164 62.300 -0.052 0.000 1.007 263 V CB -0.684 31.148 31.823 0.015 0.000 0.638 263 V HN 0.283 nan 8.190 nan 0.000 0.445 264 V N 0.727 120.621 119.914 -0.034 0.000 2.688 264 V HA -0.229 3.891 4.120 0.001 0.000 0.256 264 V C 2.166 178.247 176.094 -0.022 0.000 1.084 264 V CA 1.930 64.213 62.300 -0.028 0.000 1.103 264 V CB -1.152 30.653 31.823 -0.030 0.000 0.688 264 V HN 0.579 nan 8.190 nan 0.000 0.480 265 N N 0.416 119.096 118.700 -0.034 0.000 2.207 265 N HA -0.085 4.655 4.740 0.001 0.000 0.182 265 N C 1.911 177.414 175.510 -0.012 0.000 1.020 265 N CA 1.859 54.893 53.050 -0.028 0.000 0.858 265 N CB -0.105 38.357 38.487 -0.042 0.000 0.991 265 N HN 0.485 nan 8.380 nan 0.000 0.427 266 T N 1.474 116.014 114.554 -0.022 0.000 2.978 266 T HA 0.095 4.446 4.350 0.001 0.000 0.262 266 T C 1.939 176.694 174.700 0.092 0.000 1.063 266 T CA 0.209 62.339 62.100 0.050 0.000 1.140 266 T CB 0.125 69.023 68.868 0.050 0.000 0.886 266 T HN 0.125 nan 8.240 nan 0.000 0.470 267 M N 0.703 120.342 119.600 0.065 0.000 2.195 267 M HA -0.137 4.343 4.480 0.001 0.000 0.260 267 M C 2.357 178.678 176.300 0.036 0.000 1.066 267 M CA 1.554 56.888 55.300 0.056 0.000 1.089 267 M CB -0.030 32.584 32.600 0.023 0.000 1.377 267 M HN 0.026 nan 8.290 nan 0.000 0.411 268 R N -0.662 119.852 120.500 0.024 0.000 2.140 268 R HA 0.060 4.400 4.340 0.001 0.000 0.213 268 R C 1.008 177.323 176.300 0.025 0.000 1.059 268 R CA 1.350 57.460 56.100 0.017 0.000 1.000 268 R CB 0.195 30.499 30.300 0.007 0.000 0.910 268 R HN 0.509 nan 8.270 nan 0.000 0.455 269 G N -0.290 108.532 108.800 0.036 0.000 2.135 269 G HA2 -0.152 3.808 3.960 0.001 0.000 0.183 269 G HA3 -0.152 3.808 3.960 0.001 0.000 0.183 269 G C 0.508 175.428 174.900 0.034 0.000 1.004 269 G CA 0.186 45.312 45.100 0.042 0.000 0.677 269 G HN 0.147 nan 8.290 nan 0.000 0.512 270 I N -0.113 120.472 120.570 0.025 0.000 2.193 270 I HA 0.084 4.254 4.170 0.001 0.000 0.240 270 I C 1.556 177.688 176.117 0.025 0.000 1.084 270 I CA 2.271 63.582 61.300 0.018 0.000 1.365 270 I CB -1.337 36.666 38.000 0.006 0.000 1.064 270 I HN 0.558 nan 8.210 nan 0.000 0.410 271 V N -1.919 118.011 119.914 0.028 0.000 3.114 271 V HA 0.498 4.619 4.120 0.001 0.000 0.308 271 V C -0.482 175.649 176.094 0.062 0.000 1.168 271 V CA -1.253 61.071 62.300 0.040 0.000 1.015 271 V CB 2.515 34.349 31.823 0.018 0.000 1.050 271 V HN 0.042 nan 8.190 nan 0.000 0.433 272 K N 1.857 122.319 120.400 0.104 0.000 2.334 272 K HA 0.721 5.041 4.320 0.001 0.000 0.265 272 K C -0.991 175.707 176.600 0.163 0.000 1.039 272 K CA -0.445 55.959 56.287 0.193 0.000 0.920 272 K CB 1.502 34.139 32.500 0.227 0.000 1.160 272 K HN 0.939 nan 8.250 nan 0.000 0.451 273 V N 0.306 120.192 119.914 -0.046 0.000 2.577 273 V HA 0.825 4.946 4.120 0.001 0.000 0.303 273 V C -0.604 175.183 176.094 -0.512 0.000 1.042 273 V CA -1.066 61.137 62.300 -0.161 0.000 0.872 273 V CB 1.523 33.260 31.823 -0.144 0.000 0.998 273 V HN 0.659 nan 8.190 nan 0.000 0.423 274 A N 3.500 126.287 122.820 -0.055 0.000 2.320 274 A HA 1.035 5.356 4.320 0.001 0.000 0.334 274 A C 0.094 177.711 177.584 0.056 0.000 1.147 274 A CA -0.288 51.804 52.037 0.091 0.000 0.820 274 A CB 1.706 20.970 19.000 0.441 0.000 1.218 274 A HN 2.349 nan 8.150 nan 0.000 0.482 275 A N 1.150 124.021 122.820 0.086 0.000 2.357 275 A HA 0.667 4.987 4.320 0.001 0.000 0.295 275 A C -0.607 177.060 177.584 0.138 0.000 1.121 275 A CA -0.236 51.851 52.037 0.085 0.000 0.742 275 A CB 0.825 19.846 19.000 0.035 0.000 1.181 275 A HN 2.126 nan 8.150 nan 0.000 0.454 276 V N 0.125 120.123 119.914 0.139 0.000 2.841 276 V HA 0.593 4.713 4.120 0.001 0.000 0.310 276 V C -0.191 175.989 176.094 0.144 0.000 1.090 276 V CA -1.232 61.158 62.300 0.150 0.000 0.930 276 V CB 1.316 33.244 31.823 0.175 0.000 1.014 276 V HN 0.848 nan 8.190 nan 0.000 0.425 277 K N 1.807 122.285 120.400 0.129 0.000 2.188 277 K HA 0.589 4.909 4.320 0.001 0.000 0.246 277 K C 0.451 177.127 176.600 0.127 0.000 1.026 277 K CA 0.362 56.715 56.287 0.109 0.000 0.871 277 K CB 0.476 33.033 32.500 0.095 0.000 1.042 277 K HN 1.106 nan 8.250 nan 0.000 0.509 278 A N 2.316 125.172 122.820 0.059 0.000 2.327 278 A HA 0.300 4.621 4.320 0.001 0.000 0.283 278 A C -2.211 175.353 177.584 -0.034 0.000 1.127 278 A CA -1.506 50.519 52.037 -0.020 0.000 0.810 278 A CB -0.028 18.940 19.000 -0.053 0.000 1.066 278 A HN 0.404 nan 8.150 nan 0.000 0.492 279 P HA 0.415 nan 4.420 nan 0.000 0.275 279 P C 0.521 177.678 177.300 -0.238 0.000 1.276 279 P CA 1.354 64.371 63.100 -0.138 0.000 0.782 279 P CB 0.419 31.902 31.700 -0.362 0.000 0.851 280 G N 2.949 111.569 108.800 -0.300 0.000 2.396 280 G HA2 0.202 4.162 3.960 0.001 0.000 0.254 280 G HA3 0.202 4.162 3.960 0.001 0.000 0.254 280 G C -1.514 173.078 174.900 -0.513 0.000 1.248 280 G CA -0.669 43.982 45.100 -0.748 0.000 1.033 280 G HN 0.479 nan 8.290 nan 0.000 0.502 281 F N -2.038 117.926 119.950 0.023 0.000 2.672 281 F HA 0.725 5.253 4.527 0.001 0.000 0.311 281 F C 0.868 176.683 175.800 0.024 0.000 1.113 281 F CA 0.034 58.048 58.000 0.023 0.000 0.996 281 F CB 0.856 39.874 39.000 0.029 0.000 1.286 281 F HN 2.396 nan 8.300 nan 0.000 0.441 282 G N 1.753 110.681 108.800 0.215 0.000 2.566 282 G HA2 -0.309 3.652 3.960 0.001 0.000 0.280 282 G HA3 -0.309 3.652 3.960 0.001 0.000 0.280 282 G C 0.247 175.191 174.900 0.074 0.000 1.225 282 G CA 0.728 45.912 45.100 0.140 0.000 0.966 282 G HN 0.806 nan 8.290 nan 0.000 0.560 283 D N 0.048 120.489 120.400 0.068 0.000 2.269 283 D HA 0.022 4.662 4.640 0.001 0.000 0.208 283 D C 2.411 178.711 176.300 -0.000 0.000 0.963 283 D CA 0.811 54.828 54.000 0.029 0.000 0.864 283 D CB -0.117 40.703 40.800 0.034 0.000 0.936 283 D HN 0.419 nan 8.370 nan 0.000 0.505 284 R N 0.395 120.896 120.500 0.001 0.000 2.092 284 R HA -0.054 4.286 4.340 0.001 0.000 0.231 284 R C 2.213 178.432 176.300 -0.134 0.000 1.119 284 R CA 0.769 56.826 56.100 -0.070 0.000 0.970 284 R CB 0.108 30.355 30.300 -0.088 0.000 0.864 284 R HN 0.078 nan 8.270 nan 0.000 0.440 285 R N 1.220 121.642 120.500 -0.131 0.000 2.082 285 R HA -0.184 4.157 4.340 0.001 0.000 0.234 285 R C 1.729 177.962 176.300 -0.113 0.000 1.136 285 R CA 2.155 58.168 56.100 -0.145 0.000 0.935 285 R CB -0.086 30.160 30.300 -0.091 0.000 0.842 285 R HN 0.114 nan 8.270 nan 0.000 0.430 286 K N 0.221 120.578 120.400 -0.071 0.000 2.147 286 K HA -0.066 4.255 4.320 0.001 0.000 0.205 286 K C 2.155 178.714 176.600 -0.068 0.000 1.049 286 K CA 1.304 57.556 56.287 -0.060 0.000 0.936 286 K CB -0.195 32.284 32.500 -0.035 0.000 0.722 286 K HN 0.277 nan 8.250 nan 0.000 0.446 287 A N 1.718 124.496 122.820 -0.071 0.000 1.851 287 A HA -0.167 4.153 4.320 0.001 0.000 0.216 287 A C 2.224 179.751 177.584 -0.095 0.000 1.195 287 A CA 1.594 53.587 52.037 -0.073 0.000 0.622 287 A CB -0.483 18.475 19.000 -0.071 0.000 0.831 287 A HN 0.163 nan 8.150 nan 0.000 0.444 288 M N -1.420 118.103 119.600 -0.127 0.000 2.175 288 M HA -0.100 4.380 4.480 0.001 0.000 0.264 288 M C 2.202 178.397 176.300 -0.176 0.000 1.063 288 M CA 1.148 56.353 55.300 -0.158 0.000 1.119 288 M CB -0.508 31.970 32.600 -0.204 0.000 1.377 288 M HN 0.452 nan 8.290 nan 0.000 0.415 289 L N 0.731 121.856 121.223 -0.164 0.000 2.083 289 L HA -0.220 4.120 4.340 0.001 0.000 0.209 289 L C 2.457 179.262 176.870 -0.109 0.000 1.083 289 L CA 1.892 56.640 54.840 -0.154 0.000 0.752 289 L CB -0.757 41.231 42.059 -0.117 0.000 0.899 289 L HN 0.260 nan 8.230 nan 0.000 0.433 290 Q N -0.201 119.548 119.800 -0.085 0.000 2.084 290 Q HA -0.222 4.118 4.340 0.001 0.000 0.202 290 Q C 1.748 177.712 176.000 -0.060 0.000 0.978 290 Q CA 2.147 57.914 55.803 -0.061 0.000 0.844 290 Q CB -0.426 28.282 28.738 -0.050 0.000 0.898 290 Q HN 0.540 nan 8.270 nan 0.000 0.426 291 D N -0.201 120.154 120.400 -0.074 0.000 2.133 291 D HA -0.174 4.466 4.640 0.001 0.000 0.195 291 D C 1.754 178.018 176.300 -0.060 0.000 0.997 291 D CA 1.567 55.527 54.000 -0.066 0.000 0.840 291 D CB -0.217 40.536 40.800 -0.078 0.000 0.947 291 D HN 0.404 nan 8.370 nan 0.000 0.452 292 I N 0.694 121.214 120.570 -0.083 0.000 2.315 292 I HA -0.221 3.949 4.170 0.001 0.000 0.248 292 I C 2.404 178.503 176.117 -0.031 0.000 1.117 292 I CA 0.943 62.202 61.300 -0.067 0.000 1.404 292 I CB -0.222 37.708 38.000 -0.118 0.000 1.071 292 I HN -0.056 nan 8.210 nan 0.000 0.419 293 A N 0.540 123.341 122.820 -0.032 0.000 1.902 293 A HA -0.212 4.109 4.320 0.001 0.000 0.217 293 A C 2.410 179.990 177.584 -0.006 0.000 1.181 293 A CA 2.506 54.535 52.037 -0.013 0.000 0.623 293 A CB -1.169 17.822 19.000 -0.016 0.000 0.818 293 A HN 0.409 nan 8.150 nan 0.000 0.443 294 T N 0.063 114.608 114.554 -0.014 0.000 2.708 294 T HA -0.149 4.202 4.350 0.001 0.000 0.266 294 T C 1.767 176.464 174.700 -0.004 0.000 1.037 294 T CA 1.525 63.620 62.100 -0.009 0.000 1.146 294 T CB -0.376 68.483 68.868 -0.015 0.000 0.865 294 T HN 0.312 nan 8.240 nan 0.000 0.435 295 L N 1.853 123.074 121.223 -0.004 0.000 2.362 295 L HA 0.020 4.360 4.340 0.001 0.000 0.219 295 L C 2.167 179.042 176.870 0.008 0.000 1.134 295 L CA 1.631 56.472 54.840 0.002 0.000 0.807 295 L CB -0.649 41.412 42.059 0.005 0.000 0.927 295 L HN 0.443 nan 8.230 nan 0.000 0.447 296 T N -5.306 109.255 114.554 0.012 0.000 3.010 296 T HA 0.377 4.728 4.350 0.001 0.000 0.257 296 T C 1.261 175.976 174.700 0.025 0.000 1.020 296 T CA 0.184 62.296 62.100 0.020 0.000 0.938 296 T CB 0.130 69.017 68.868 0.032 0.000 1.049 296 T HN 0.440 nan 8.240 nan 0.000 0.522 297 G N 0.743 109.555 108.800 0.020 0.000 2.225 297 G HA2 0.113 4.073 3.960 0.001 0.000 0.264 297 G HA3 0.113 4.073 3.960 0.001 0.000 0.264 297 G C 0.269 175.191 174.900 0.037 0.000 1.060 297 G CA -0.178 44.937 45.100 0.024 0.000 0.833 297 G HN 1.050 nan 8.290 nan 0.000 0.498 298 G N -1.615 107.205 108.800 0.033 0.000 2.644 298 G HA2 0.802 4.762 3.960 0.001 0.000 0.307 298 G HA3 0.802 4.762 3.960 0.001 0.000 0.307 298 G C -0.430 174.481 174.900 0.018 0.000 1.250 298 G CA 0.092 45.215 45.100 0.037 0.000 0.996 298 G HN 0.592 nan 8.290 nan 0.000 0.489 299 T N 0.380 114.943 114.554 0.015 0.000 2.824 299 T HA 0.417 4.767 4.350 0.001 0.000 0.280 299 T C 0.181 174.881 174.700 -0.001 0.000 0.995 299 T CA -0.288 61.815 62.100 0.004 0.000 1.009 299 T CB 1.669 70.539 68.868 0.002 0.000 0.955 299 T HN 0.358 nan 8.240 nan 0.000 0.452 300 V N 4.268 124.177 119.914 -0.008 0.000 2.485 300 V HA 0.116 4.237 4.120 0.001 0.000 0.287 300 V C 0.398 176.486 176.094 -0.010 0.000 1.022 300 V CA -0.245 62.047 62.300 -0.013 0.000 1.067 300 V CB -0.297 31.514 31.823 -0.021 0.000 0.967 300 V HN 0.730 nan 8.190 nan 0.000 0.479 301 I N 4.880 125.444 120.570 -0.009 0.000 2.243 301 I HA 0.098 4.268 4.170 0.001 0.000 0.297 301 I C 0.835 176.946 176.117 -0.009 0.000 1.161 301 I CA 0.965 62.260 61.300 -0.009 0.000 1.298 301 I CB 0.710 38.705 38.000 -0.008 0.000 1.475 301 I HN 0.621 nan 8.210 nan 0.000 0.561 302 S N 4.414 120.109 115.700 -0.009 0.000 2.430 302 S HA 0.176 4.646 4.470 0.001 0.000 0.289 302 S C 1.263 175.859 174.600 -0.007 0.000 1.143 302 S CA -0.512 57.683 58.200 -0.009 0.000 1.067 302 S CB 0.538 63.732 63.200 -0.010 0.000 0.964 302 S HN 0.691 nan 8.310 nan 0.000 0.485 303 E N 3.312 123.509 120.200 -0.005 0.000 2.153 303 E HA -0.164 4.186 4.350 0.001 0.000 0.194 303 E C 1.297 177.895 176.600 -0.003 0.000 0.988 303 E CA 1.250 57.648 56.400 -0.004 0.000 0.811 303 E CB 0.134 29.833 29.700 -0.002 0.000 0.746 303 E HN 0.839 nan 8.360 nan 0.000 0.466 304 E N 0.412 120.611 120.200 -0.003 0.000 2.077 304 E HA -0.163 4.187 4.350 0.001 0.000 0.193 304 E C 1.617 178.216 176.600 -0.003 0.000 0.989 304 E CA 1.211 57.610 56.400 -0.002 0.000 0.800 304 E CB -0.282 29.417 29.700 -0.002 0.000 0.746 304 E HN 0.436 nan 8.360 nan 0.000 0.452 305 I N -2.017 118.551 120.570 -0.004 0.000 3.585 305 I HA 0.414 4.585 4.170 0.001 0.000 0.325 305 I C 0.452 176.567 176.117 -0.004 0.000 1.370 305 I CA -0.237 61.060 61.300 -0.004 0.000 1.298 305 I CB -0.318 37.678 38.000 -0.005 0.000 1.387 305 I HN 0.051 nan 8.210 nan 0.000 0.466 306 G N 2.676 111.474 108.800 -0.004 0.000 2.333 306 G HA2 -0.240 3.721 3.960 0.001 0.000 0.296 306 G HA3 -0.240 3.721 3.960 0.001 0.000 0.296 306 G C -0.343 174.554 174.900 -0.005 0.000 1.059 306 G CA 0.087 45.185 45.100 -0.004 0.000 1.050 306 G HN 0.577 nan 8.290 nan 0.000 0.508 307 M N -0.410 119.187 119.600 -0.005 0.000 2.386 307 M HA 0.377 4.857 4.480 0.001 0.000 0.293 307 M C -0.247 176.049 176.300 -0.007 0.000 1.120 307 M CA -0.621 54.675 55.300 -0.006 0.000 0.909 307 M CB 2.334 34.930 32.600 -0.007 0.000 1.661 307 M HN 0.267 nan 8.290 nan 0.000 0.452 308 E N 1.432 121.627 120.200 -0.008 0.000 2.242 308 E HA 0.213 4.564 4.350 0.001 0.000 0.275 308 E C 0.218 176.812 176.600 -0.010 0.000 1.002 308 E CA -0.572 55.823 56.400 -0.008 0.000 0.841 308 E CB 2.140 31.835 29.700 -0.008 0.000 1.109 308 E HN 0.493 nan 8.360 nan 0.000 0.394 309 L N 2.636 123.853 121.223 -0.010 0.000 2.275 309 L HA -0.137 4.204 4.340 0.001 0.000 0.215 309 L C 1.482 178.343 176.870 -0.016 0.000 1.119 309 L CA 1.813 56.646 54.840 -0.012 0.000 0.790 309 L CB -0.211 41.842 42.059 -0.009 0.000 0.919 309 L HN 0.576 nan 8.230 nan 0.000 0.443 310 E N -0.363 119.828 120.200 -0.015 0.000 2.230 310 E HA -0.174 4.177 4.350 0.001 0.000 0.192 310 E C 1.479 178.067 176.600 -0.020 0.000 0.987 310 E CA 0.798 57.188 56.400 -0.018 0.000 0.841 310 E CB -0.131 29.560 29.700 -0.015 0.000 0.783 310 E HN 0.584 nan 8.360 nan 0.000 0.481 311 K N 1.282 121.672 120.400 -0.018 0.000 2.505 311 K HA 0.268 4.588 4.320 0.001 0.000 0.192 311 K C 0.512 177.099 176.600 -0.022 0.000 1.025 311 K CA 0.033 56.310 56.287 -0.018 0.000 1.086 311 K CB 0.335 32.827 32.500 -0.014 0.000 0.840 311 K HN -0.072 nan 8.250 nan 0.000 0.514 312 A N 1.539 124.344 122.820 -0.026 0.000 2.340 312 A HA 0.377 4.697 4.320 0.001 0.000 0.268 312 A C 0.218 177.775 177.584 -0.045 0.000 1.100 312 A CA -0.239 51.779 52.037 -0.032 0.000 0.803 312 A CB 0.481 19.462 19.000 -0.031 0.000 1.043 312 A HN 0.500 nan 8.150 nan 0.000 0.488 313 T N -0.929 113.594 114.554 -0.051 0.000 2.773 313 T HA 0.509 4.860 4.350 0.001 0.000 0.278 313 T C 1.024 175.663 174.700 -0.103 0.000 1.011 313 T CA -0.689 61.368 62.100 -0.071 0.000 1.014 313 T CB 0.421 69.258 68.868 -0.052 0.000 1.293 313 T HN 0.312 nan 8.240 nan 0.000 0.554 314 L N 0.237 121.372 121.223 -0.146 0.000 2.189 314 L HA -0.111 4.230 4.340 0.001 0.000 0.214 314 L C 2.854 179.671 176.870 -0.089 0.000 1.097 314 L CA 1.795 56.500 54.840 -0.224 0.000 0.764 314 L CB -0.627 41.285 42.059 -0.246 0.000 0.900 314 L HN 0.864 nan 8.230 nan 0.000 0.436 315 E N 0.829 121.005 120.200 -0.040 0.000 2.086 315 E HA -0.267 4.084 4.350 0.001 0.000 0.200 315 E C 1.467 178.075 176.600 0.013 0.000 1.012 315 E CA 2.016 58.416 56.400 0.001 0.000 0.812 315 E CB -0.046 29.651 29.700 -0.005 0.000 0.743 315 E HN 0.480 nan 8.360 nan 0.000 0.453 316 D N -0.171 120.226 120.400 -0.004 0.000 2.349 316 D HA -0.003 4.638 4.640 0.001 0.000 0.224 316 D C 0.162 176.477 176.300 0.024 0.000 1.029 316 D CA 0.177 54.181 54.000 0.006 0.000 0.879 316 D CB 0.141 40.938 40.800 -0.007 0.000 0.906 316 D HN 0.264 nan 8.370 nan 0.000 0.528 317 L N 1.291 122.536 121.223 0.036 0.000 2.349 317 L HA 0.309 4.649 4.340 0.001 0.000 0.275 317 L C 1.349 178.321 176.870 0.170 0.000 1.115 317 L CA -0.594 54.305 54.840 0.098 0.000 0.820 317 L CB 1.282 43.389 42.059 0.081 0.000 1.135 317 L HN -0.112 nan 8.230 nan 0.000 0.445 318 G N 2.362 111.248 108.800 0.143 0.000 2.599 318 G HA2 0.411 4.372 3.960 0.001 0.000 0.264 318 G HA3 0.411 4.372 3.960 0.001 0.000 0.264 318 G C -0.774 174.208 174.900 0.136 0.000 1.200 318 G CA -0.269 44.900 45.100 0.115 0.000 0.896 318 G HN 0.629 nan 8.290 nan 0.000 0.536 319 Q N -1.345 118.486 119.800 0.052 0.000 2.340 319 Q HA 0.577 4.917 4.340 0.001 0.000 0.276 319 Q C -0.831 175.149 176.000 -0.034 0.000 1.048 319 Q CA -0.739 55.042 55.803 -0.036 0.000 0.832 319 Q CB 2.531 31.202 28.738 -0.112 0.000 1.373 319 Q HN 0.833 nan 8.270 nan 0.000 0.409 320 A N 1.169 123.957 122.820 -0.053 0.000 2.479 320 A HA 0.448 4.768 4.320 0.001 0.000 0.296 320 A C -0.031 177.525 177.584 -0.047 0.000 1.121 320 A CA -0.574 51.446 52.037 -0.029 0.000 0.743 320 A CB 1.686 20.688 19.000 0.003 0.000 1.323 320 A HN 0.788 nan 8.150 nan 0.000 0.415 321 K N -0.485 119.897 120.400 -0.030 0.000 2.057 321 K HA 0.032 4.352 4.320 0.001 0.000 0.206 321 K C 0.541 177.125 176.600 -0.027 0.000 1.050 321 K CA 1.269 57.537 56.287 -0.032 0.000 0.935 321 K CB 0.050 32.537 32.500 -0.021 0.000 0.715 321 K HN 0.613 nan 8.250 nan 0.000 0.439 322 R N -0.991 119.500 120.500 -0.015 0.000 2.692 322 R HA 0.352 4.693 4.340 0.001 0.000 0.269 322 R C -1.982 174.320 176.300 0.003 0.000 1.030 322 R CA -0.742 55.353 56.100 -0.009 0.000 0.882 322 R CB 2.463 32.756 30.300 -0.012 0.000 1.250 322 R HN -0.113 nan 8.270 nan 0.000 0.465 323 V N 2.166 122.084 119.914 0.007 0.000 2.760 323 V HA 0.532 4.652 4.120 0.001 0.000 0.309 323 V C -1.050 175.046 176.094 0.003 0.000 1.077 323 V CA -0.764 61.547 62.300 0.018 0.000 0.910 323 V CB 2.206 34.057 31.823 0.047 0.000 1.008 323 V HN 0.439 nan 8.190 nan 0.000 0.424 324 V N 6.036 125.945 119.914 -0.008 0.000 2.443 324 V HA 0.586 4.707 4.120 0.001 0.000 0.293 324 V C -0.669 175.404 176.094 -0.035 0.000 1.021 324 V CA -0.304 61.982 62.300 -0.022 0.000 0.848 324 V CB 1.695 33.500 31.823 -0.030 0.000 0.998 324 V HN 0.727 nan 8.190 nan 0.000 0.424 325 I N 5.400 125.967 120.570 -0.005 0.000 2.447 325 I HA 0.527 4.697 4.170 0.001 0.000 0.287 325 I C -0.173 175.979 176.117 0.059 0.000 1.023 325 I CA -0.383 60.921 61.300 0.007 0.000 1.083 325 I CB 1.967 40.026 38.000 0.098 0.000 1.245 325 I HN 0.796 nan 8.210 nan 0.000 0.434 326 N N 4.494 123.155 118.700 -0.064 0.000 2.906 326 N HA 0.348 5.088 4.740 0.001 0.000 0.327 326 N C 0.583 175.762 175.510 -0.553 0.000 1.344 326 N CA -1.041 51.946 53.050 -0.105 0.000 0.823 326 N CB 0.635 39.079 38.487 -0.072 0.000 1.351 326 N HN 0.457 nan 8.380 nan 0.000 0.604 327 K N -1.248 118.779 120.400 -0.623 0.000 2.286 327 K HA -0.176 4.145 4.320 0.001 0.000 0.203 327 K C -0.321 176.008 176.600 -0.451 0.000 1.045 327 K CA 1.748 57.580 56.287 -0.758 0.000 0.935 327 K CB -0.129 32.187 32.500 -0.307 0.000 0.737 327 K HN 0.571 nan 8.250 nan 0.000 0.460 328 D N -0.690 119.527 120.400 -0.305 0.000 2.461 328 D HA 0.016 4.656 4.640 0.001 0.000 0.266 328 D C 0.168 176.353 176.300 -0.191 0.000 1.085 328 D CA 0.635 54.517 54.000 -0.197 0.000 0.887 328 D CB 0.998 41.722 40.800 -0.128 0.000 1.309 328 D HN 0.275 nan 8.370 nan 0.000 0.498 329 T N -0.923 113.499 114.554 -0.220 0.000 2.909 329 T HA 0.604 4.955 4.350 0.001 0.000 0.299 329 T C -0.430 174.069 174.700 -0.335 0.000 1.073 329 T CA -0.621 61.320 62.100 -0.265 0.000 0.999 329 T CB 2.495 71.247 68.868 -0.193 0.000 1.098 329 T HN -0.316 nan 8.240 nan 0.000 0.477 330 T N 2.295 116.499 114.554 -0.584 0.000 2.829 330 T HA 0.683 5.034 4.350 0.001 0.000 0.280 330 T C -0.568 173.827 174.700 -0.509 0.000 0.999 330 T CA -0.558 61.193 62.100 -0.582 0.000 0.983 330 T CB 1.545 69.933 68.868 -0.800 0.000 0.968 330 T HN 0.799 nan 8.240 nan 0.000 0.446 331 T N 3.168 117.597 114.554 -0.209 0.000 2.848 331 T HA 0.558 4.908 4.350 0.001 0.000 0.285 331 T C -0.318 174.384 174.700 0.004 0.000 0.995 331 T CA -0.493 61.559 62.100 -0.081 0.000 0.970 331 T CB 0.798 69.627 68.868 -0.064 0.000 0.976 331 T HN 0.407 nan 8.240 nan 0.000 0.441 332 I N 3.615 124.223 120.570 0.062 0.000 2.330 332 I HA 0.394 4.565 4.170 0.001 0.000 0.289 332 I C -0.308 175.832 176.117 0.039 0.000 1.001 332 I CA -0.596 60.744 61.300 0.066 0.000 1.193 332 I CB 0.968 39.031 38.000 0.105 0.000 1.345 332 I HN 0.523 nan 8.210 nan 0.000 0.461 333 I N 6.333 126.915 120.570 0.021 0.000 2.291 333 I HA 0.178 4.349 4.170 0.001 0.000 0.292 333 I C -0.244 175.877 176.117 0.007 0.000 1.064 333 I CA -0.160 61.146 61.300 0.010 0.000 1.269 333 I CB 0.296 38.297 38.000 0.001 0.000 1.418 333 I HN 0.583 nan 8.210 nan 0.000 0.485 334 D N 5.129 125.534 120.400 0.008 0.000 3.908 334 D HA -0.118 4.523 4.640 0.001 0.000 0.237 334 D C 0.198 176.499 176.300 0.001 0.000 1.091 334 D CA 0.951 54.952 54.000 0.003 0.000 1.147 334 D CB -0.150 40.648 40.800 -0.003 0.000 0.857 334 D HN 0.755 nan 8.370 nan 0.000 0.410 335 G N 0.937 109.741 108.800 0.006 0.000 2.562 335 G HA2 0.418 4.379 3.960 0.001 0.000 0.275 335 G HA3 0.418 4.379 3.960 0.001 0.000 0.275 335 G C 1.474 176.372 174.900 -0.002 0.000 1.196 335 G CA -0.169 44.933 45.100 0.004 0.000 0.908 335 G HN 0.338 nan 8.290 nan 0.000 0.524 336 V N 1.554 121.465 119.914 -0.005 0.000 2.233 336 V HA 0.019 4.139 4.120 0.001 0.000 0.247 336 V C 2.135 178.229 176.094 0.000 0.000 1.050 336 V CA 1.966 64.263 62.300 -0.005 0.000 1.010 336 V CB -1.470 30.351 31.823 -0.004 0.000 0.637 336 V HN 1.501 nan 8.190 nan 0.000 0.444 337 G N 1.709 110.512 108.800 0.004 0.000 2.561 337 G HA2 -0.245 3.716 3.960 0.001 0.000 0.214 337 G HA3 -0.245 3.716 3.960 0.001 0.000 0.214 337 G C -0.387 174.514 174.900 0.002 0.000 0.124 337 G CA 0.127 45.229 45.100 0.004 0.000 1.129 337 G HN 0.649 nan 8.290 nan 0.000 0.532 338 E N 2.001 122.202 120.200 0.003 0.000 2.585 338 E HA 0.182 4.532 4.350 0.001 0.000 0.252 338 E C 1.215 177.815 176.600 -0.000 0.000 0.981 338 E CA 0.242 56.643 56.400 0.002 0.000 0.943 338 E CB 0.747 30.449 29.700 0.002 0.000 0.923 338 E HN 0.639 nan 8.360 nan 0.000 0.486 339 E N 3.761 123.960 120.200 -0.001 0.000 2.065 339 E HA -0.283 4.067 4.350 0.001 0.000 0.201 339 E C 1.776 178.374 176.600 -0.002 0.000 1.016 339 E CA 2.045 58.444 56.400 -0.002 0.000 0.818 339 E CB -0.273 29.426 29.700 -0.002 0.000 0.749 339 E HN 0.603 nan 8.360 nan 0.000 0.453 340 A N 0.407 123.226 122.820 -0.002 0.000 1.933 340 A HA -0.048 4.272 4.320 0.001 0.000 0.218 340 A C 2.399 179.981 177.584 -0.004 0.000 1.175 340 A CA 2.209 54.244 52.037 -0.003 0.000 0.628 340 A CB -0.881 18.117 19.000 -0.002 0.000 0.814 340 A HN 0.362 nan 8.150 nan 0.000 0.444 341 A N -0.163 122.655 122.820 -0.003 0.000 1.969 341 A HA -0.017 4.303 4.320 0.001 0.000 0.218 341 A C 2.074 179.654 177.584 -0.006 0.000 1.169 341 A CA 1.358 53.392 52.037 -0.004 0.000 0.635 341 A CB -0.545 18.453 19.000 -0.003 0.000 0.810 341 A HN 0.506 nan 8.150 nan 0.000 0.445 342 I N -0.658 119.909 120.570 -0.006 0.000 2.090 342 I HA -0.322 3.849 4.170 0.001 0.000 0.236 342 I C 2.685 178.797 176.117 -0.008 0.000 1.064 342 I CA 1.783 63.079 61.300 -0.007 0.000 1.324 342 I CB -0.487 37.510 38.000 -0.005 0.000 1.044 342 I HN 0.358 nan 8.210 nan 0.000 0.399 343 Q N 0.538 120.333 119.800 -0.007 0.000 2.291 343 Q HA -0.072 4.269 4.340 0.001 0.000 0.205 343 Q C 2.233 178.228 176.000 -0.008 0.000 0.970 343 Q CA 1.221 57.020 55.803 -0.008 0.000 0.876 343 Q CB -0.296 28.438 28.738 -0.006 0.000 0.935 343 Q HN 0.645 nan 8.270 nan 0.000 0.455 344 G N 0.781 109.576 108.800 -0.008 0.000 2.404 344 G HA2 -0.237 3.723 3.960 0.001 0.000 0.215 344 G HA3 -0.237 3.723 3.960 0.001 0.000 0.215 344 G C 1.461 176.355 174.900 -0.011 0.000 1.174 344 G CA 0.144 45.239 45.100 -0.008 0.000 0.780 344 G HN 0.102 nan 8.290 nan 0.000 0.537 345 R N 0.208 120.701 120.500 -0.012 0.000 2.152 345 R HA 0.005 4.345 4.340 0.001 0.000 0.232 345 R C 2.551 178.840 176.300 -0.018 0.000 1.117 345 R CA 0.838 56.928 56.100 -0.016 0.000 0.981 345 R CB -0.373 29.916 30.300 -0.018 0.000 0.870 345 R HN 0.338 nan 8.270 nan 0.000 0.451 346 V N 0.468 120.373 119.914 -0.016 0.000 2.283 346 V HA -0.146 3.974 4.120 0.001 0.000 0.243 346 V C 2.373 178.457 176.094 -0.016 0.000 1.039 346 V CA 1.780 64.070 62.300 -0.017 0.000 1.016 346 V CB -0.708 31.107 31.823 -0.014 0.000 0.650 346 V HN 0.369 nan 8.190 nan 0.000 0.449 347 A N -1.036 121.777 122.820 -0.013 0.000 2.178 347 A HA -0.250 4.071 4.320 0.001 0.000 0.218 347 A C 2.166 179.742 177.584 -0.013 0.000 1.157 347 A CA 1.830 53.860 52.037 -0.012 0.000 0.689 347 A CB -0.425 18.569 19.000 -0.010 0.000 0.787 347 A HN 0.639 nan 8.150 nan 0.000 0.465 348 Q N -0.371 119.420 119.800 -0.015 0.000 2.061 348 Q HA 0.000 4.341 4.340 0.001 0.000 0.195 348 Q C 1.863 177.851 176.000 -0.020 0.000 0.967 348 Q CA 1.042 56.835 55.803 -0.016 0.000 0.829 348 Q CB -0.125 28.603 28.738 -0.017 0.000 0.900 348 Q HN 0.676 nan 8.270 nan 0.000 0.450 349 I N 0.556 121.112 120.570 -0.024 0.000 2.493 349 I HA -0.225 3.945 4.170 0.001 0.000 0.254 349 I C 2.633 178.733 176.117 -0.028 0.000 1.160 349 I CA 0.749 62.031 61.300 -0.030 0.000 1.445 349 I CB -0.297 37.682 38.000 -0.035 0.000 1.086 349 I HN 0.198 nan 8.210 nan 0.000 0.433 350 R N 0.812 121.298 120.500 -0.023 0.000 2.120 350 R HA -0.201 4.139 4.340 0.001 0.000 0.234 350 R C 2.297 178.586 176.300 -0.018 0.000 1.123 350 R CA 1.304 57.392 56.100 -0.020 0.000 0.975 350 R CB -0.097 30.194 30.300 -0.016 0.000 0.866 350 R HN 0.397 nan 8.270 nan 0.000 0.446 351 Q N 0.105 119.895 119.800 -0.017 0.000 2.408 351 Q HA -0.079 4.262 4.340 0.001 0.000 0.205 351 Q C 1.221 177.211 176.000 -0.016 0.000 0.919 351 Q CA 0.789 56.583 55.803 -0.014 0.000 0.932 351 Q CB 0.386 29.117 28.738 -0.012 0.000 1.058 351 Q HN 0.456 nan 8.270 nan 0.000 0.517 352 Q N 0.140 119.927 119.800 -0.022 0.000 2.230 352 Q HA -0.010 4.331 4.340 0.001 0.000 0.202 352 Q C 1.983 177.966 176.000 -0.029 0.000 0.963 352 Q CA 1.134 56.922 55.803 -0.025 0.000 0.866 352 Q CB 0.107 28.826 28.738 -0.032 0.000 0.931 352 Q HN 0.451 nan 8.270 nan 0.000 0.452 353 I N 0.366 120.918 120.570 -0.029 0.000 2.439 353 I HA -0.181 3.989 4.170 0.001 0.000 0.251 353 I C 2.082 178.188 176.117 -0.018 0.000 1.139 353 I CA 0.651 61.933 61.300 -0.029 0.000 1.438 353 I CB -0.232 37.750 38.000 -0.029 0.000 1.085 353 I HN 0.103 nan 8.210 nan 0.000 0.427 354 E N 1.734 121.926 120.200 -0.014 0.000 2.058 354 E HA -0.226 4.124 4.350 0.001 0.000 0.194 354 E C 1.607 178.203 176.600 -0.006 0.000 0.997 354 E CA 1.577 57.971 56.400 -0.009 0.000 0.801 354 E CB -0.151 29.545 29.700 -0.008 0.000 0.746 354 E HN 0.697 nan 8.360 nan 0.000 0.450 355 E N 0.139 120.334 120.200 -0.008 0.000 2.451 355 E HA 0.336 4.687 4.350 0.001 0.000 0.194 355 E C -0.070 176.527 176.600 -0.005 0.000 1.027 355 E CA -0.196 56.201 56.400 -0.004 0.000 0.914 355 E CB 0.386 30.083 29.700 -0.004 0.000 1.054 355 E HN -0.046 nan 8.360 nan 0.000 0.461 356 A N 1.860 124.675 122.820 -0.009 0.000 2.484 356 A HA 0.120 4.441 4.320 0.001 0.000 0.268 356 A C 1.110 178.696 177.584 0.003 0.000 1.114 356 A CA -0.064 51.966 52.037 -0.011 0.000 0.780 356 A CB -0.103 18.882 19.000 -0.024 0.000 1.061 356 A HN 0.308 nan 8.150 nan 0.000 0.505 357 T N 0.152 114.711 114.554 0.010 0.000 3.380 357 T HA 0.328 4.679 4.350 0.001 0.000 0.250 357 T C 0.678 175.396 174.700 0.029 0.000 1.082 357 T CA 0.390 62.501 62.100 0.019 0.000 0.968 357 T CB -1.062 67.817 68.868 0.019 0.000 1.027 357 T HN 1.192 nan 8.240 nan 0.000 0.575 358 S N -0.560 115.160 115.700 0.032 0.000 3.319 358 S HA 0.349 4.820 4.470 0.001 0.000 0.310 358 S C -0.586 174.043 174.600 0.048 0.000 1.223 358 S CA -0.596 57.633 58.200 0.048 0.000 1.189 358 S CB 0.532 63.777 63.200 0.075 0.000 1.514 358 S HN 0.030 nan 8.310 nan 0.000 0.554 359 D N -0.693 119.752 120.400 0.075 0.000 2.514 359 D HA 0.185 4.826 4.640 0.001 0.000 0.249 359 D C 1.420 177.782 176.300 0.103 0.000 1.036 359 D CA 0.491 54.536 54.000 0.075 0.000 0.911 359 D CB -0.078 40.769 40.800 0.078 0.000 1.145 359 D HN 0.451 nan 8.370 nan 0.000 0.495 360 Y N 2.473 122.784 120.300 0.019 0.000 2.242 360 Y HA -0.092 4.458 4.550 0.001 0.000 0.291 360 Y C 1.380 177.294 175.900 0.024 0.000 1.137 360 Y CA 1.342 59.457 58.100 0.025 0.000 1.181 360 Y CB -0.040 38.437 38.460 0.028 0.000 0.989 360 Y HN -0.206 nan 8.280 nan 0.000 0.527 361 D N -0.100 120.226 120.400 -0.123 0.000 2.378 361 D HA -0.064 4.576 4.640 0.001 0.000 0.227 361 D C 1.763 177.979 176.300 -0.140 0.000 1.012 361 D CA 0.661 54.549 54.000 -0.187 0.000 0.905 361 D CB 0.025 40.792 40.800 -0.055 0.000 0.895 361 D HN 0.483 nan 8.370 nan 0.000 0.532 362 R N -0.022 120.417 120.500 -0.101 0.000 2.164 362 R HA 0.062 4.402 4.340 0.001 0.000 0.198 362 R C 1.893 178.149 176.300 -0.074 0.000 1.028 362 R CA 0.130 56.191 56.100 -0.064 0.000 1.083 362 R CB 0.464 30.751 30.300 -0.021 0.000 1.026 362 R HN 0.038 nan 8.270 nan 0.000 0.514 363 E N 1.509 121.666 120.200 -0.071 0.000 2.005 363 E HA -0.253 4.097 4.350 0.001 0.000 0.198 363 E C 1.760 178.314 176.600 -0.076 0.000 1.010 363 E CA 2.046 58.421 56.400 -0.041 0.000 0.825 363 E CB -0.062 29.655 29.700 0.029 0.000 0.769 363 E HN 0.264 nan 8.360 nan 0.000 0.456 364 K N 0.839 121.144 120.400 -0.158 0.000 2.211 364 K HA -0.147 4.174 4.320 0.001 0.000 0.204 364 K C 2.020 178.548 176.600 -0.120 0.000 1.047 364 K CA 1.130 57.329 56.287 -0.146 0.000 0.935 364 K CB -0.118 32.230 32.500 -0.253 0.000 0.728 364 K HN 0.026 nan 8.250 nan 0.000 0.452 365 L N 2.341 123.487 121.223 -0.128 0.000 2.005 365 L HA -0.161 4.180 4.340 0.001 0.000 0.207 365 L C 2.918 179.750 176.870 -0.064 0.000 1.072 365 L CA 2.116 56.900 54.840 -0.094 0.000 0.744 365 L CB -1.349 40.657 42.059 -0.089 0.000 0.895 365 L HN 0.567 nan 8.230 nan 0.000 0.433 366 Q N -0.529 119.239 119.800 -0.054 0.000 2.291 366 Q HA -0.200 4.140 4.340 0.001 0.000 0.205 366 Q C 1.564 177.545 176.000 -0.031 0.000 0.970 366 Q CA 1.156 56.937 55.803 -0.037 0.000 0.876 366 Q CB -0.262 28.457 28.738 -0.032 0.000 0.935 366 Q HN 0.534 nan 8.270 nan 0.000 0.455 367 E N 1.204 121.384 120.200 -0.034 0.000 2.051 367 E HA -0.147 4.204 4.350 0.001 0.000 0.192 367 E C 2.142 178.728 176.600 -0.023 0.000 0.991 367 E CA 1.206 57.593 56.400 -0.021 0.000 0.799 367 E CB 0.060 29.749 29.700 -0.018 0.000 0.748 367 E HN 0.362 nan 8.360 nan 0.000 0.449 368 R N 0.253 120.730 120.500 -0.038 0.000 2.115 368 R HA -0.109 4.232 4.340 0.001 0.000 0.230 368 R C 2.634 178.916 176.300 -0.031 0.000 1.111 368 R CA 1.206 57.282 56.100 -0.040 0.000 0.976 368 R CB -0.380 29.884 30.300 -0.059 0.000 0.870 368 R HN 0.205 nan 8.270 nan 0.000 0.445 369 V N -1.506 118.390 119.914 -0.030 0.000 2.427 369 V HA -0.082 4.039 4.120 0.001 0.000 0.248 369 V C 2.086 178.170 176.094 -0.016 0.000 1.051 369 V CA 1.848 64.134 62.300 -0.023 0.000 1.048 369 V CB -0.636 31.173 31.823 -0.024 0.000 0.666 369 V HN 0.246 nan 8.190 nan 0.000 0.456 370 A N 0.356 123.168 122.820 -0.013 0.000 1.929 370 A HA -0.078 4.243 4.320 0.001 0.000 0.216 370 A C 2.280 179.864 177.584 -0.000 0.000 1.176 370 A CA 1.733 53.766 52.037 -0.007 0.000 0.628 370 A CB -0.527 18.470 19.000 -0.006 0.000 0.816 370 A HN 0.613 nan 8.150 nan 0.000 0.444 371 K N -0.525 119.876 120.400 0.001 0.000 2.097 371 K HA -0.017 4.304 4.320 0.001 0.000 0.206 371 K C 1.623 178.229 176.600 0.009 0.000 1.049 371 K CA 1.335 57.630 56.287 0.013 0.000 0.933 371 K CB -0.250 32.260 32.500 0.016 0.000 0.717 371 K HN 0.463 nan 8.250 nan 0.000 0.442 372 L N -0.517 120.704 121.223 -0.002 0.000 2.298 372 L HA 0.051 4.391 4.340 0.001 0.000 0.209 372 L C 2.057 178.925 176.870 -0.003 0.000 1.084 372 L CA 0.324 55.161 54.840 -0.004 0.000 0.816 372 L CB -0.162 41.889 42.059 -0.013 0.000 0.967 372 L HN 0.126 nan 8.230 nan 0.000 0.460 373 A N 0.096 122.913 122.820 -0.005 0.000 2.712 373 A HA 0.386 4.706 4.320 0.001 0.000 0.211 373 A C 1.737 179.320 177.584 -0.002 0.000 1.877 373 A CA 0.748 52.782 52.037 -0.005 0.000 0.686 373 A CB -1.321 17.675 19.000 -0.007 0.000 1.308 373 A HN 0.244 nan 8.150 nan 0.000 0.498 374 G N -1.485 107.314 108.800 -0.002 0.000 3.056 374 G HA2 0.447 4.407 3.960 0.001 0.000 0.175 374 G HA3 0.447 4.407 3.960 0.001 0.000 0.175 374 G C 0.463 175.364 174.900 0.001 0.000 1.894 374 G CA 0.601 45.700 45.100 -0.001 0.000 0.910 374 G HN 1.374 nan 8.290 nan 0.000 0.462 375 G N -2.516 106.285 108.800 0.001 0.000 2.721 375 G HA2 0.501 4.461 3.960 0.001 0.000 0.296 375 G HA3 0.501 4.461 3.960 0.001 0.000 0.296 375 G C -2.102 172.800 174.900 0.003 0.000 1.383 375 G CA -0.266 44.836 45.100 0.004 0.000 0.788 375 G HN 0.678 nan 8.290 nan 0.000 0.500 376 V N -0.002 119.915 119.914 0.005 0.000 2.604 376 V HA 0.799 4.920 4.120 0.001 0.000 0.305 376 V C 0.038 176.134 176.094 0.004 0.000 1.043 376 V CA -0.274 62.029 62.300 0.006 0.000 0.888 376 V CB 1.433 33.262 31.823 0.010 0.000 0.995 376 V HN 1.331 nan 8.190 nan 0.000 0.429 377 A N 4.529 127.352 122.820 0.004 0.000 2.374 377 A HA 0.922 5.242 4.320 0.001 0.000 0.317 377 A C -1.235 176.352 177.584 0.006 0.000 1.094 377 A CA -0.566 51.474 52.037 0.004 0.000 0.765 377 A CB 1.974 20.976 19.000 0.003 0.000 1.268 377 A HN 0.666 nan 8.150 nan 0.000 0.438 378 V N 2.810 122.728 119.914 0.006 0.000 2.487 378 V HA 0.394 4.515 4.120 0.001 0.000 0.298 378 V C -0.411 175.688 176.094 0.008 0.000 1.028 378 V CA -0.227 62.078 62.300 0.009 0.000 0.860 378 V CB 1.519 33.346 31.823 0.007 0.000 0.991 378 V HN 0.756 nan 8.190 nan 0.000 0.427 379 I N 4.692 125.269 120.570 0.012 0.000 2.315 379 I HA 0.373 4.543 4.170 0.001 0.000 0.291 379 I C 0.164 176.289 176.117 0.012 0.000 1.006 379 I CA -0.369 60.938 61.300 0.012 0.000 1.265 379 I CB 1.126 39.135 38.000 0.015 0.000 1.387 379 I HN 0.511 nan 8.210 nan 0.000 0.475 380 K N 5.877 126.282 120.400 0.009 0.000 2.240 380 K HA 0.490 4.810 4.320 0.001 0.000 0.271 380 K C -0.936 175.669 176.600 0.008 0.000 1.018 380 K CA -0.619 55.673 56.287 0.008 0.000 0.874 380 K CB 1.950 34.453 32.500 0.005 0.000 1.098 380 K HN 0.307 nan 8.250 nan 0.000 0.458 381 V N 2.246 122.166 119.914 0.009 0.000 2.465 381 V HA 0.367 4.488 4.120 0.001 0.000 0.279 381 V C 0.694 176.792 176.094 0.006 0.000 1.045 381 V CA -0.850 61.455 62.300 0.008 0.000 0.938 381 V CB 1.346 33.175 31.823 0.010 0.000 0.986 381 V HN 0.898 nan 8.190 nan 0.000 0.467 382 G N 2.682 111.485 108.800 0.005 0.000 2.389 382 G HA2 0.786 4.746 3.960 0.001 0.000 0.328 382 G HA3 0.786 4.746 3.960 0.001 0.000 0.328 382 G C -0.562 174.340 174.900 0.003 0.000 1.133 382 G CA -0.013 45.089 45.100 0.003 0.000 0.891 382 G HN 1.244 nan 8.290 nan 0.000 0.485 383 A N 0.158 122.980 122.820 0.003 0.000 2.610 383 A HA 0.795 5.116 4.320 0.001 0.000 0.291 383 A C 0.725 178.310 177.584 0.001 0.000 1.086 383 A CA 0.298 52.336 52.037 0.002 0.000 0.677 383 A CB 0.843 19.844 19.000 0.003 0.000 1.278 383 A HN 1.712 nan 8.150 nan 0.000 0.414 384 A N 0.073 122.894 122.820 0.001 0.000 1.872 384 A HA 0.340 4.660 4.320 0.001 0.000 0.214 384 A C 1.548 179.132 177.584 0.001 0.000 1.187 384 A CA 2.544 54.582 52.037 0.000 0.000 0.614 384 A CB -0.884 18.116 19.000 -0.000 0.000 0.826 384 A HN 1.774 nan 8.150 nan 0.000 0.442 385 T N -4.289 110.265 114.554 0.001 0.000 2.849 385 T HA 0.498 4.849 4.350 0.001 0.000 0.272 385 T C 0.733 175.434 174.700 0.002 0.000 1.046 385 T CA 0.208 62.309 62.100 0.001 0.000 0.983 385 T CB 1.176 70.044 68.868 -0.000 0.000 1.721 385 T HN 0.197 nan 8.240 nan 0.000 0.594 386 E N -0.518 119.684 120.200 0.003 0.000 2.364 386 E HA 0.100 4.451 4.350 0.001 0.000 0.203 386 E C 2.175 178.778 176.600 0.005 0.000 0.888 386 E CA 0.386 56.789 56.400 0.005 0.000 0.989 386 E CB 0.408 30.111 29.700 0.007 0.000 0.985 386 E HN 0.517 nan 8.360 nan 0.000 0.499 387 V N -0.368 119.548 119.914 0.003 0.000 2.515 387 V HA -0.169 3.952 4.120 0.001 0.000 0.250 387 V C 2.061 178.156 176.094 0.002 0.000 1.058 387 V CA 1.997 64.298 62.300 0.002 0.000 1.064 387 V CB -0.527 31.294 31.823 -0.002 0.000 0.675 387 V HN 0.157 nan 8.190 nan 0.000 0.461 388 E N 0.033 120.234 120.200 0.001 0.000 2.046 388 E HA -0.224 4.126 4.350 0.001 0.000 0.190 388 E C 2.126 178.728 176.600 0.003 0.000 0.982 388 E CA 1.449 57.849 56.400 0.001 0.000 0.800 388 E CB -0.219 29.482 29.700 0.001 0.000 0.756 388 E HN 0.508 nan 8.360 nan 0.000 0.449 389 M N 1.277 120.880 119.600 0.004 0.000 2.106 389 M HA -0.212 4.268 4.480 0.001 0.000 0.259 389 M C 1.769 178.073 176.300 0.007 0.000 1.068 389 M CA 1.780 57.084 55.300 0.006 0.000 1.100 389 M CB -0.049 32.555 32.600 0.007 0.000 1.351 389 M HN -0.079 nan 8.290 nan 0.000 0.404 390 K N -0.528 119.876 120.400 0.008 0.000 2.025 390 K HA -0.205 4.116 4.320 0.001 0.000 0.207 390 K C 1.979 178.583 176.600 0.006 0.000 1.049 390 K CA 1.868 58.160 56.287 0.009 0.000 0.933 390 K CB -0.343 32.164 32.500 0.011 0.000 0.714 390 K HN 0.563 nan 8.250 nan 0.000 0.438 391 E N 1.645 121.847 120.200 0.004 0.000 2.106 391 E HA -0.210 4.140 4.350 0.001 0.000 0.192 391 E C 1.898 178.500 176.600 0.002 0.000 0.984 391 E CA 1.572 57.973 56.400 0.002 0.000 0.806 391 E CB 0.008 29.708 29.700 0.000 0.000 0.750 391 E HN 0.051 nan 8.360 nan 0.000 0.458 392 K N 0.950 121.352 120.400 0.003 0.000 2.001 392 K HA -0.113 4.208 4.320 0.001 0.000 0.208 392 K C 2.192 178.797 176.600 0.007 0.000 1.048 392 K CA 1.775 58.065 56.287 0.005 0.000 0.932 392 K CB -0.190 32.313 32.500 0.005 0.000 0.715 392 K HN 0.094 nan 8.250 nan 0.000 0.437 393 K N -0.261 120.144 120.400 0.009 0.000 2.113 393 K HA -0.156 4.164 4.320 0.001 0.000 0.208 393 K C 1.899 178.506 176.600 0.012 0.000 1.047 393 K CA 1.405 57.700 56.287 0.013 0.000 0.928 393 K CB -0.257 32.251 32.500 0.014 0.000 0.716 393 K HN 0.270 nan 8.250 nan 0.000 0.446 394 A N 0.999 123.822 122.820 0.005 0.000 1.972 394 A HA -0.147 4.173 4.320 0.001 0.000 0.219 394 A C 2.051 179.631 177.584 -0.006 0.000 1.169 394 A CA 1.316 53.351 52.037 -0.004 0.000 0.635 394 A CB -0.329 18.666 19.000 -0.007 0.000 0.810 394 A HN 0.296 nan 8.150 nan 0.000 0.446 395 R N -0.916 119.585 120.500 0.001 0.000 2.075 395 R HA -0.004 4.337 4.340 0.001 0.000 0.226 395 R C 2.027 178.335 176.300 0.013 0.000 1.114 395 R CA 1.213 57.315 56.100 0.003 0.000 0.972 395 R CB -0.309 29.993 30.300 0.003 0.000 0.869 395 R HN 0.378 nan 8.270 nan 0.000 0.437 396 V N 1.461 121.386 119.914 0.018 0.000 2.407 396 V HA -0.226 3.895 4.120 0.001 0.000 0.248 396 V C 2.166 178.290 176.094 0.050 0.000 1.055 396 V CA 1.664 63.982 62.300 0.030 0.000 1.049 396 V CB -0.423 31.415 31.823 0.026 0.000 0.662 396 V HN 0.299 nan 8.190 nan 0.000 0.455 397 E N 0.132 120.362 120.200 0.049 0.000 2.085 397 E HA -0.256 4.095 4.350 0.001 0.000 0.194 397 E C 1.983 178.640 176.600 0.095 0.000 0.994 397 E CA 1.744 58.195 56.400 0.085 0.000 0.801 397 E CB -0.279 29.444 29.700 0.038 0.000 0.743 397 E HN 0.648 nan 8.360 nan 0.000 0.453 398 D N 0.303 120.707 120.400 0.006 0.000 2.084 398 D HA -0.122 4.519 4.640 0.001 0.000 0.194 398 D C 1.876 178.213 176.300 0.062 0.000 0.990 398 D CA 1.795 55.784 54.000 -0.019 0.000 0.826 398 D CB -0.174 40.611 40.800 -0.026 0.000 0.971 398 D HN 0.167 nan 8.370 nan 0.000 0.453 399 A N 0.681 123.535 122.820 0.056 0.000 1.908 399 A HA -0.159 4.161 4.320 0.001 0.000 0.218 399 A C 2.154 179.789 177.584 0.084 0.000 1.181 399 A CA 0.899 52.971 52.037 0.059 0.000 0.627 399 A CB -0.848 18.175 19.000 0.038 0.000 0.818 399 A HN 0.315 nan 8.150 nan 0.000 0.445 400 L N -0.859 120.427 121.223 0.105 0.000 2.081 400 L HA -0.248 4.093 4.340 0.001 0.000 0.212 400 L C 2.345 179.272 176.870 0.094 0.000 1.080 400 L CA 2.614 57.511 54.840 0.095 0.000 0.754 400 L CB -1.026 41.095 42.059 0.104 0.000 0.893 400 L HN 0.548 nan 8.230 nan 0.000 0.433 401 H N -0.805 118.274 119.070 0.015 0.000 2.363 401 H HA 0.031 4.588 4.556 0.001 0.000 0.301 401 H C 2.175 177.514 175.328 0.018 0.000 1.074 401 H CA 1.429 57.488 56.048 0.018 0.000 1.354 401 H CB -0.117 29.657 29.762 0.021 0.000 1.397 401 H HN 0.406 nan 8.280 nan 0.000 0.516 402 A N 0.192 123.104 122.820 0.154 0.000 1.930 402 A HA -0.180 4.140 4.320 0.001 0.000 0.217 402 A C 2.449 180.066 177.584 0.055 0.000 1.175 402 A CA 2.030 54.120 52.037 0.089 0.000 0.627 402 A CB -1.011 18.028 19.000 0.065 0.000 0.815 402 A HN 0.607 nan 8.150 nan 0.000 0.443 403 T N -2.103 112.478 114.554 0.046 0.000 2.777 403 T HA -0.135 4.215 4.350 0.001 0.000 0.266 403 T C 1.930 176.639 174.700 0.015 0.000 1.040 403 T CA 1.084 63.199 62.100 0.025 0.000 1.141 403 T CB -0.400 68.480 68.868 0.019 0.000 0.868 403 T HN 0.437 nan 8.240 nan 0.000 0.444 404 R N 1.296 121.800 120.500 0.006 0.000 2.152 404 R HA 0.111 4.451 4.340 0.001 0.000 0.232 404 R C 2.789 179.089 176.300 -0.000 0.000 1.117 404 R CA 1.242 57.334 56.100 -0.014 0.000 0.981 404 R CB -0.685 29.580 30.300 -0.057 0.000 0.870 404 R HN 0.600 nan 8.270 nan 0.000 0.451 405 A N 0.927 123.758 122.820 0.019 0.000 1.898 405 A HA 0.054 4.374 4.320 0.001 0.000 0.214 405 A C 2.354 179.949 177.584 0.019 0.000 1.183 405 A CA 1.199 53.252 52.037 0.026 0.000 0.622 405 A CB -0.356 18.671 19.000 0.045 0.000 0.824 405 A HN 0.318 nan 8.150 nan 0.000 0.444 406 A N -0.346 122.485 122.820 0.019 0.000 1.877 406 A HA -0.036 4.285 4.320 0.001 0.000 0.216 406 A C 2.203 179.793 177.584 0.009 0.000 1.186 406 A CA 1.826 53.871 52.037 0.014 0.000 0.620 406 A CB -1.016 17.992 19.000 0.015 0.000 0.822 406 A HN 0.376 nan 8.150 nan 0.000 0.443 407 V N 1.173 121.091 119.914 0.007 0.000 2.332 407 V HA -0.288 3.832 4.120 0.001 0.000 0.248 407 V C 2.536 178.631 176.094 0.002 0.000 1.055 407 V CA 2.414 64.716 62.300 0.003 0.000 1.038 407 V CB -0.868 30.955 31.823 -0.001 0.000 0.651 407 V HN 0.932 nan 8.190 nan 0.000 0.450 408 E N -0.497 119.705 120.200 0.003 0.000 2.385 408 E HA -0.087 4.263 4.350 0.001 0.000 0.194 408 E C 1.586 178.188 176.600 0.004 0.000 1.013 408 E CA 0.965 57.366 56.400 0.003 0.000 0.866 408 E CB 0.110 29.811 29.700 0.002 0.000 0.832 408 E HN 0.663 nan 8.360 nan 0.000 0.500 409 E N -0.060 120.143 120.200 0.006 0.000 2.712 409 E HA 0.207 4.557 4.350 0.001 0.000 0.221 409 E C 0.005 176.608 176.600 0.006 0.000 0.943 409 E CA 0.172 56.576 56.400 0.006 0.000 1.259 409 E CB 1.316 31.020 29.700 0.006 0.000 1.167 409 E HN 0.337 nan 8.360 nan 0.000 0.569 410 G N 0.733 109.537 108.800 0.007 0.000 2.728 410 G HA2 -0.198 3.763 3.960 0.001 0.000 0.294 410 G HA3 -0.198 3.763 3.960 0.001 0.000 0.294 410 G C -0.382 174.523 174.900 0.009 0.000 1.342 410 G CA -0.443 44.662 45.100 0.007 0.000 0.866 410 G HN 0.568 nan 8.290 nan 0.000 0.534 411 V N -2.565 117.355 119.914 0.010 0.000 3.074 411 V HA 1.001 5.122 4.120 0.001 0.000 0.314 411 V C 0.599 176.700 176.094 0.012 0.000 1.117 411 V CA 0.157 62.464 62.300 0.011 0.000 1.014 411 V CB 1.437 33.267 31.823 0.011 0.000 1.057 411 V HN 2.528 nan 8.190 nan 0.000 0.438 412 V N -1.354 118.568 119.914 0.013 0.000 3.181 412 V HA 0.991 5.111 4.120 0.001 0.000 0.308 412 V C 0.295 176.400 176.094 0.017 0.000 1.214 412 V CA -0.712 61.597 62.300 0.015 0.000 1.053 412 V CB 1.236 33.067 31.823 0.014 0.000 1.069 412 V HN 2.154 nan 8.190 nan 0.000 0.441 413 A N 1.228 124.061 122.820 0.022 0.000 2.522 413 A HA 0.631 4.952 4.320 0.001 0.000 0.256 413 A C 0.959 178.555 177.584 0.021 0.000 1.086 413 A CA 0.664 52.715 52.037 0.024 0.000 0.763 413 A CB -0.615 18.405 19.000 0.034 0.000 1.024 413 A HN 2.062 nan 8.150 nan 0.000 0.502 414 G N 1.064 109.874 108.800 0.016 0.000 2.525 414 G HA2 0.493 4.453 3.960 0.001 0.000 0.276 414 G HA3 0.493 4.453 3.960 0.001 0.000 0.276 414 G C 1.228 176.139 174.900 0.018 0.000 1.388 414 G CA 0.029 45.137 45.100 0.014 0.000 1.050 414 G HN 2.273 nan 8.290 nan 0.000 0.520 415 G N -2.293 106.518 108.800 0.019 0.000 2.155 415 G HA2 0.198 4.159 3.960 0.001 0.000 0.257 415 G HA3 0.198 4.159 3.960 0.001 0.000 0.257 415 G C 1.495 176.418 174.900 0.039 0.000 0.983 415 G CA 1.079 46.198 45.100 0.032 0.000 0.676 415 G HN 2.496 nan 8.290 nan 0.000 0.528 416 G N -1.917 106.901 108.800 0.030 0.000 2.258 416 G HA2 -0.066 3.894 3.960 0.001 0.000 0.274 416 G HA3 -0.066 3.894 3.960 0.001 0.000 0.274 416 G C 1.693 176.613 174.900 0.033 0.000 1.021 416 G CA 1.766 46.883 45.100 0.029 0.000 0.798 416 G HN 2.138 nan 8.290 nan 0.000 0.507 417 V N -0.863 119.073 119.914 0.036 0.000 2.407 417 V HA 0.258 4.378 4.120 0.001 0.000 0.245 417 V C 2.878 178.994 176.094 0.038 0.000 1.041 417 V CA 2.208 64.533 62.300 0.043 0.000 1.040 417 V CB -0.523 31.331 31.823 0.050 0.000 0.671 417 V HN 1.432 nan 8.190 nan 0.000 0.455 418 A N 0.602 123.440 122.820 0.031 0.000 1.881 418 A HA -0.271 4.050 4.320 0.001 0.000 0.219 418 A C 2.174 179.772 177.584 0.022 0.000 1.215 418 A CA 2.694 54.746 52.037 0.025 0.000 0.648 418 A CB -1.091 17.921 19.000 0.019 0.000 0.832 418 A HN 0.560 nan 8.150 nan 0.000 0.455 419 L N -0.979 120.256 121.223 0.020 0.000 2.012 419 L HA -0.144 4.197 4.340 0.001 0.000 0.210 419 L C 2.413 179.294 176.870 0.019 0.000 1.073 419 L CA 1.803 56.653 54.840 0.016 0.000 0.748 419 L CB -0.743 41.325 42.059 0.015 0.000 0.891 419 L HN 0.446 nan 8.230 nan 0.000 0.431 420 I N -1.431 119.154 120.570 0.025 0.000 2.423 420 I HA -0.287 3.884 4.170 0.001 0.000 0.254 420 I C 2.416 178.550 176.117 0.028 0.000 1.151 420 I CA 0.800 62.116 61.300 0.027 0.000 1.421 420 I CB -0.132 37.889 38.000 0.035 0.000 1.079 420 I HN 0.180 nan 8.210 nan 0.000 0.431 421 R N -0.161 120.357 120.500 0.030 0.000 2.062 421 R HA -0.045 4.296 4.340 0.001 0.000 0.226 421 R C 2.342 178.654 176.300 0.021 0.000 1.125 421 R CA 1.620 57.738 56.100 0.030 0.000 0.966 421 R CB -1.303 29.017 30.300 0.034 0.000 0.861 421 R HN 0.421 nan 8.270 nan 0.000 0.433 422 V N -0.500 119.424 119.914 0.017 0.000 2.515 422 V HA -0.046 4.074 4.120 0.001 0.000 0.250 422 V C 2.032 178.132 176.094 0.010 0.000 1.058 422 V CA 1.889 64.196 62.300 0.011 0.000 1.064 422 V CB -0.854 30.974 31.823 0.007 0.000 0.675 422 V HN 0.189 nan 8.190 nan 0.000 0.461 423 A N 1.430 124.257 122.820 0.011 0.000 1.978 423 A HA -0.171 4.149 4.320 0.001 0.000 0.220 423 A C 2.524 180.113 177.584 0.010 0.000 1.170 423 A CA 2.676 54.719 52.037 0.010 0.000 0.636 423 A CB -0.959 18.048 19.000 0.011 0.000 0.810 423 A HN 0.987 nan 8.150 nan 0.000 0.448 424 S N -0.391 115.316 115.700 0.012 0.000 2.425 424 S HA -0.016 4.455 4.470 0.001 0.000 0.225 424 S C 1.712 176.317 174.600 0.008 0.000 1.024 424 S CA 0.828 59.034 58.200 0.010 0.000 0.951 424 S CB -0.219 62.989 63.200 0.012 0.000 0.796 424 S HN 0.609 nan 8.310 nan 0.000 0.498 425 K N 1.329 121.734 120.400 0.009 0.000 2.147 425 K HA 0.079 4.400 4.320 0.001 0.000 0.205 425 K C 1.206 177.809 176.600 0.005 0.000 1.049 425 K CA 0.989 57.279 56.287 0.006 0.000 0.936 425 K CB -0.435 32.069 32.500 0.007 0.000 0.722 425 K HN 0.426 nan 8.250 nan 0.000 0.446 426 L N 0.249 121.475 121.223 0.005 0.000 2.685 426 L HA 0.190 4.530 4.340 0.001 0.000 0.233 426 L C 1.872 178.744 176.870 0.003 0.000 1.173 426 L CA -0.369 54.474 54.840 0.004 0.000 0.961 426 L CB -0.057 42.004 42.059 0.003 0.000 1.217 426 L HN 0.042 nan 8.230 nan 0.000 0.478 427 A N -0.090 122.732 122.820 0.004 0.000 2.076 427 A HA -0.185 4.135 4.320 0.001 0.000 0.220 427 A C 1.492 179.077 177.584 0.002 0.000 1.160 427 A CA 1.608 53.647 52.037 0.003 0.000 0.653 427 A CB -0.191 18.811 19.000 0.003 0.000 0.801 427 A HN 0.342 nan 8.150 nan 0.000 0.455 428 D N -1.253 119.148 120.400 0.002 0.000 2.402 428 D HA 0.211 4.851 4.640 0.001 0.000 0.216 428 D C -0.272 176.029 176.300 0.002 0.000 1.128 428 D CA -0.270 53.731 54.000 0.001 0.000 0.833 428 D CB 0.123 40.923 40.800 0.001 0.000 0.971 428 D HN 0.263 nan 8.370 nan 0.000 0.503 429 L N 1.762 122.986 121.223 0.002 0.000 2.410 429 L HA 0.168 4.508 4.340 0.001 0.000 0.273 429 L C 0.289 177.161 176.870 0.002 0.000 1.152 429 L CA 0.514 55.355 54.840 0.002 0.000 0.855 429 L CB 0.156 42.216 42.059 0.002 0.000 1.129 429 L HN -0.204 nan 8.230 nan 0.000 0.463 430 R N 2.783 123.284 120.500 0.002 0.000 2.867 430 R HA 0.711 5.051 4.340 0.001 0.000 0.268 430 R C -0.219 176.082 176.300 0.002 0.000 1.014 430 R CA -0.488 55.614 56.100 0.002 0.000 0.946 430 R CB 1.571 31.872 30.300 0.002 0.000 1.208 430 R HN 0.780 nan 8.270 nan 0.000 0.477 431 G N -0.351 108.451 108.800 0.003 0.000 2.971 431 G HA2 0.184 4.144 3.960 0.001 0.000 0.235 431 G HA3 0.184 4.144 3.960 0.001 0.000 0.235 431 G C 0.076 174.978 174.900 0.003 0.000 1.351 431 G CA -0.279 44.823 45.100 0.003 0.000 1.039 431 G HN 0.437 nan 8.290 nan 0.000 0.563 432 Q N -0.080 119.722 119.800 0.003 0.000 2.432 432 Q HA 0.110 4.450 4.340 0.001 0.000 0.205 432 Q C 0.476 176.478 176.000 0.003 0.000 0.945 432 Q CA 0.580 56.385 55.803 0.003 0.000 0.924 432 Q CB 0.063 28.803 28.738 0.004 0.000 1.016 432 Q HN 0.605 nan 8.270 nan 0.000 0.503 433 N N -1.703 116.999 118.700 0.003 0.000 3.179 433 N HA -0.032 4.709 4.740 0.001 0.000 0.250 433 N C 0.062 175.574 175.510 0.003 0.000 1.507 433 N CA -0.266 52.785 53.050 0.003 0.000 0.883 433 N CB 1.009 39.498 38.487 0.003 0.000 1.435 433 N HN -0.238 nan 8.380 nan 0.000 0.532 434 E N 0.287 120.488 120.200 0.003 0.000 2.110 434 E HA -0.120 4.231 4.350 0.001 0.000 0.193 434 E C 0.630 177.232 176.600 0.003 0.000 0.988 434 E CA 1.834 58.236 56.400 0.003 0.000 0.804 434 E CB -0.297 29.404 29.700 0.002 0.000 0.745 434 E HN 0.522 nan 8.360 nan 0.000 0.458 435 D N 0.170 120.573 120.400 0.004 0.000 2.117 435 D HA -0.159 4.482 4.640 0.001 0.000 0.197 435 D C 1.895 178.198 176.300 0.005 0.000 0.987 435 D CA 0.990 54.993 54.000 0.005 0.000 0.829 435 D CB -0.265 40.538 40.800 0.005 0.000 0.961 435 D HN 0.377 nan 8.370 nan 0.000 0.460 436 Q N 0.140 119.943 119.800 0.005 0.000 2.181 436 Q HA -0.127 4.214 4.340 0.001 0.000 0.205 436 Q C 1.729 177.732 176.000 0.005 0.000 0.980 436 Q CA 0.745 56.551 55.803 0.005 0.000 0.862 436 Q CB -0.047 28.694 28.738 0.005 0.000 0.905 436 Q HN 0.271 nan 8.270 nan 0.000 0.429 437 N N 0.146 118.849 118.700 0.004 0.000 2.080 437 N HA -0.117 4.624 4.740 0.001 0.000 0.189 437 N C 1.881 177.393 175.510 0.004 0.000 1.036 437 N CA 1.011 54.063 53.050 0.004 0.000 0.846 437 N CB -0.492 37.997 38.487 0.003 0.000 1.015 437 N HN 0.020 nan 8.380 nan 0.000 0.423 438 V N 0.899 120.816 119.914 0.004 0.000 2.469 438 V HA -0.176 3.944 4.120 0.001 0.000 0.251 438 V C 2.316 178.413 176.094 0.005 0.000 1.064 438 V CA 1.987 64.290 62.300 0.004 0.000 1.066 438 V CB -1.235 30.591 31.823 0.004 0.000 0.667 438 V HN 0.387 nan 8.190 nan 0.000 0.461 439 G N -0.345 108.458 108.800 0.006 0.000 2.408 439 G HA2 -0.179 3.781 3.960 0.001 0.000 0.217 439 G HA3 -0.179 3.781 3.960 0.001 0.000 0.217 439 G C 1.552 176.455 174.900 0.006 0.000 1.150 439 G CA 0.860 45.964 45.100 0.006 0.000 0.776 439 G HN 0.495 nan 8.290 nan 0.000 0.542 440 I N 0.094 120.667 120.570 0.005 0.000 2.133 440 I HA -0.077 4.093 4.170 0.001 0.000 0.238 440 I C 2.718 178.837 176.117 0.005 0.000 1.074 440 I CA 1.003 62.306 61.300 0.005 0.000 1.342 440 I CB -0.084 37.918 38.000 0.004 0.000 1.053 440 I HN -0.054 nan 8.210 nan 0.000 0.404 441 K N 0.595 120.997 120.400 0.004 0.000 2.113 441 K HA -0.144 4.177 4.320 0.001 0.000 0.208 441 K C 1.952 178.555 176.600 0.005 0.000 1.047 441 K CA 1.081 57.370 56.287 0.004 0.000 0.928 441 K CB -0.831 31.672 32.500 0.004 0.000 0.716 441 K HN 0.133 nan 8.250 nan 0.000 0.446 442 V N 0.509 120.426 119.914 0.006 0.000 2.287 442 V HA -0.303 3.817 4.120 0.001 0.000 0.248 442 V C 2.194 178.293 176.094 0.007 0.000 1.053 442 V CA 2.139 64.443 62.300 0.007 0.000 1.027 442 V CB -0.743 31.085 31.823 0.007 0.000 0.646 442 V HN 0.399 nan 8.190 nan 0.000 0.447 443 A N -0.484 122.340 122.820 0.007 0.000 1.898 443 A HA -0.122 4.199 4.320 0.001 0.000 0.216 443 A C 2.176 179.764 177.584 0.007 0.000 1.181 443 A CA 1.669 53.710 52.037 0.007 0.000 0.620 443 A CB -0.496 18.508 19.000 0.006 0.000 0.819 443 A HN 0.510 nan 8.150 nan 0.000 0.442 444 L N -1.277 119.949 121.223 0.006 0.000 2.012 444 L HA -0.196 4.145 4.340 0.001 0.000 0.210 444 L C 2.788 179.663 176.870 0.007 0.000 1.073 444 L CA 1.876 56.720 54.840 0.006 0.000 0.748 444 L CB -0.552 41.510 42.059 0.006 0.000 0.891 444 L HN 0.363 nan 8.230 nan 0.000 0.431 445 R N -0.001 120.503 120.500 0.007 0.000 2.159 445 R HA -0.149 4.191 4.340 0.001 0.000 0.237 445 R C 2.275 178.580 176.300 0.008 0.000 1.131 445 R CA 1.257 57.361 56.100 0.007 0.000 0.982 445 R CB -0.188 30.116 30.300 0.006 0.000 0.868 445 R HN 0.396 nan 8.270 nan 0.000 0.453 446 A N -0.132 122.693 122.820 0.008 0.000 2.016 446 A HA -0.087 4.234 4.320 0.001 0.000 0.217 446 A C 1.980 179.571 177.584 0.011 0.000 1.162 446 A CA 0.779 52.822 52.037 0.010 0.000 0.662 446 A CB -0.223 18.784 19.000 0.011 0.000 0.812 446 A HN 0.279 nan 8.150 nan 0.000 0.450 447 M N -0.548 119.058 119.600 0.010 0.000 2.374 447 M HA -0.127 4.353 4.480 0.001 0.000 0.264 447 M C 1.576 177.884 176.300 0.013 0.000 1.067 447 M CA 1.104 56.410 55.300 0.011 0.000 1.103 447 M CB -0.151 32.455 32.600 0.010 0.000 1.402 447 M HN 0.464 nan 8.290 nan 0.000 0.444 448 E N -0.258 119.949 120.200 0.012 0.000 2.418 448 E HA -0.081 4.269 4.350 0.001 0.000 0.197 448 E C 1.898 178.506 176.600 0.012 0.000 1.026 448 E CA 0.605 57.013 56.400 0.013 0.000 0.862 448 E CB 0.044 29.750 29.700 0.010 0.000 0.799 448 E HN 0.510 nan 8.360 nan 0.000 0.518 449 A N 1.931 124.759 122.820 0.012 0.000 1.898 449 A HA -0.066 4.254 4.320 0.001 0.000 0.216 449 A C -0.389 177.204 177.584 0.014 0.000 1.181 449 A CA 0.796 52.840 52.037 0.011 0.000 0.620 449 A CB -1.245 17.762 19.000 0.012 0.000 0.819 449 A HN 0.115 nan 8.150 nan 0.000 0.442 450 P HA -0.206 nan 4.420 nan 0.000 0.214 450 P C 1.835 179.148 177.300 0.021 0.000 1.163 450 P CA 0.965 64.076 63.100 0.019 0.000 0.889 450 P CB -0.164 31.549 31.700 0.020 0.000 0.790 451 L N -0.623 120.614 121.223 0.023 0.000 2.012 451 L HA -0.212 4.128 4.340 0.001 0.000 0.210 451 L C 2.318 179.197 176.870 0.016 0.000 1.073 451 L CA 2.064 56.921 54.840 0.028 0.000 0.748 451 L CB -0.530 41.546 42.059 0.029 0.000 0.891 451 L HN -0.091 nan 8.230 nan 0.000 0.431 452 R N -0.835 119.669 120.500 0.008 0.000 2.096 452 R HA -0.186 4.155 4.340 0.001 0.000 0.235 452 R C 2.345 178.645 176.300 0.001 0.000 1.127 452 R CA 1.347 57.446 56.100 -0.002 0.000 0.968 452 R CB -0.126 30.173 30.300 -0.001 0.000 0.861 452 R HN 0.430 nan 8.270 nan 0.000 0.440 453 Q N 0.346 120.151 119.800 0.008 0.000 2.096 453 Q HA -0.020 4.320 4.340 0.001 0.000 0.197 453 Q C 2.125 178.134 176.000 0.014 0.000 0.964 453 Q CA 1.251 57.059 55.803 0.010 0.000 0.838 453 Q CB -0.042 28.703 28.738 0.012 0.000 0.906 453 Q HN 0.367 nan 8.270 nan 0.000 0.444 454 I N -0.090 120.494 120.570 0.022 0.000 2.151 454 I HA -0.304 3.866 4.170 0.001 0.000 0.243 454 I C 2.203 178.345 176.117 0.043 0.000 1.080 454 I CA 1.088 62.409 61.300 0.035 0.000 1.339 454 I CB -0.324 37.705 38.000 0.048 0.000 1.039 454 I HN -0.019 nan 8.210 nan 0.000 0.409 455 V N 0.439 120.370 119.914 0.029 0.000 2.626 455 V HA -0.239 3.882 4.120 0.001 0.000 0.252 455 V C 2.211 178.306 176.094 0.001 0.000 1.067 455 V CA 1.503 63.806 62.300 0.006 0.000 1.081 455 V CB -0.316 31.459 31.823 -0.081 0.000 0.686 455 V HN 0.377 nan 8.190 nan 0.000 0.468 456 L N 0.127 121.350 121.223 0.001 0.000 2.162 456 L HA -0.005 4.335 4.340 0.001 0.000 0.205 456 L C 1.983 178.857 176.870 0.006 0.000 1.086 456 L CA 1.717 56.557 54.840 -0.001 0.000 0.778 456 L CB -0.631 41.427 42.059 -0.001 0.000 0.928 456 L HN 0.330 nan 8.230 nan 0.000 0.446 457 N N -1.577 117.129 118.700 0.011 0.000 2.519 457 N HA -0.176 4.564 4.740 0.001 0.000 0.186 457 N C 1.189 176.709 175.510 0.016 0.000 1.062 457 N CA 1.023 54.080 53.050 0.013 0.000 0.910 457 N CB -0.190 38.305 38.487 0.013 0.000 0.958 457 N HN 0.414 nan 8.380 nan 0.000 0.445 458 C N -0.222 119.093 119.300 0.025 0.000 2.697 458 C HA 0.291 4.751 4.460 0.001 0.000 0.267 458 C C 1.701 176.705 174.990 0.023 0.000 1.278 458 C CA -0.073 58.964 59.018 0.032 0.000 1.708 458 C CB -0.894 26.885 27.740 0.066 0.000 1.860 458 C HN 0.625 nan 8.230 nan 0.000 0.589 459 G N 1.460 110.268 108.800 0.013 0.000 2.143 459 G HA2 -0.215 3.746 3.960 0.001 0.000 0.248 459 G HA3 -0.215 3.746 3.960 0.001 0.000 0.248 459 G C -0.311 174.592 174.900 0.005 0.000 0.991 459 G CA 0.253 45.358 45.100 0.008 0.000 0.689 459 G HN 0.618 nan 8.290 nan 0.000 0.522 460 E N 0.156 120.357 120.200 0.001 0.000 2.249 460 E HA 0.441 4.791 4.350 0.001 0.000 0.263 460 E C -0.117 176.462 176.600 -0.034 0.000 0.950 460 E CA -0.906 55.485 56.400 -0.015 0.000 0.827 460 E CB 0.910 30.598 29.700 -0.020 0.000 1.220 460 E HN 0.344 nan 8.360 nan 0.000 0.411 461 E N 2.571 122.747 120.200 -0.040 0.000 2.292 461 E HA 0.001 4.351 4.350 0.001 0.000 0.265 461 E C -1.921 174.644 176.600 -0.058 0.000 1.093 461 E CA -1.197 55.180 56.400 -0.038 0.000 0.922 461 E CB 0.475 30.159 29.700 -0.027 0.000 1.001 461 E HN 0.285 nan 8.360 nan 0.000 0.444 462 P HA -0.112 nan 4.420 nan 0.000 0.219 462 P C 1.407 178.679 177.300 -0.046 0.000 1.154 462 P CA 0.825 63.894 63.100 -0.052 0.000 0.826 462 P CB 0.199 31.881 31.700 -0.029 0.000 0.795 463 S N -0.514 115.167 115.700 -0.030 0.000 2.383 463 S HA -0.086 4.384 4.470 0.001 0.000 0.227 463 S C 2.067 176.652 174.600 -0.024 0.000 1.026 463 S CA 1.076 59.263 58.200 -0.021 0.000 0.981 463 S CB -1.807 61.385 63.200 -0.014 0.000 0.818 463 S HN -0.069 nan 8.310 nan 0.000 0.472 464 V N 1.736 121.633 119.914 -0.028 0.000 2.358 464 V HA -0.124 3.996 4.120 0.001 0.000 0.246 464 V C 2.620 178.699 176.094 -0.025 0.000 1.047 464 V CA 1.495 63.782 62.300 -0.022 0.000 1.035 464 V CB -0.734 31.080 31.823 -0.014 0.000 0.658 464 V HN 0.419 nan 8.190 nan 0.000 0.452 465 V N 0.230 120.105 119.914 -0.066 0.000 2.255 465 V HA -0.291 3.829 4.120 0.001 0.000 0.247 465 V C 2.715 178.797 176.094 -0.020 0.000 1.051 465 V CA 2.197 64.450 62.300 -0.079 0.000 1.018 465 V CB -1.114 30.508 31.823 -0.334 0.000 0.641 465 V HN 0.570 nan 8.190 nan 0.000 0.445 466 A N 0.175 122.978 122.820 -0.029 0.000 1.883 466 A HA -0.283 4.037 4.320 0.001 0.000 0.217 466 A C 2.047 179.631 177.584 -0.001 0.000 1.186 466 A CA 2.287 54.321 52.037 -0.005 0.000 0.624 466 A CB -0.854 18.142 19.000 -0.006 0.000 0.822 466 A HN 0.588 nan 8.150 nan 0.000 0.444 467 N N -0.242 118.452 118.700 -0.010 0.000 2.060 467 N HA -0.169 4.572 4.740 0.001 0.000 0.195 467 N C 2.003 177.501 175.510 -0.020 0.000 1.028 467 N CA 2.499 55.541 53.050 -0.012 0.000 0.861 467 N CB -0.830 37.647 38.487 -0.016 0.000 1.029 467 N HN 0.720 nan 8.380 nan 0.000 0.428 468 T N -1.977 112.549 114.554 -0.047 0.000 2.951 468 T HA 0.030 4.380 4.350 0.001 0.000 0.268 468 T C 1.967 176.646 174.700 -0.035 0.000 1.073 468 T CA 0.764 62.802 62.100 -0.103 0.000 1.134 468 T CB -0.486 68.218 68.868 -0.274 0.000 0.884 468 T HN -0.061 nan 8.240 nan 0.000 0.479 469 V N 1.570 121.491 119.914 0.011 0.000 2.427 469 V HA -0.041 4.080 4.120 0.001 0.000 0.248 469 V C 2.693 178.864 176.094 0.129 0.000 1.051 469 V CA 1.637 63.997 62.300 0.100 0.000 1.048 469 V CB -0.499 31.373 31.823 0.083 0.000 0.666 469 V HN 0.519 nan 8.190 nan 0.000 0.456 470 K N 0.297 120.735 120.400 0.063 0.000 2.365 470 K HA -0.003 4.317 4.320 0.001 0.000 0.199 470 K C 2.059 178.679 176.600 0.033 0.000 1.045 470 K CA 0.951 57.265 56.287 0.046 0.000 0.962 470 K CB -0.310 32.204 32.500 0.024 0.000 0.759 470 K HN 0.549 nan 8.250 nan 0.000 0.469 471 G N 1.043 109.858 108.800 0.025 0.000 2.598 471 G HA2 -0.056 3.904 3.960 0.001 0.000 0.215 471 G HA3 -0.056 3.904 3.960 0.001 0.000 0.215 471 G C 0.715 175.594 174.900 -0.035 0.000 1.131 471 G CA 0.441 45.535 45.100 -0.011 0.000 0.785 471 G HN 0.332 nan 8.290 nan 0.000 0.539 472 G N -0.952 107.860 108.800 0.020 0.000 2.606 472 G HA2 0.535 4.495 3.960 0.001 0.000 0.262 472 G HA3 0.535 4.495 3.960 0.001 0.000 0.262 472 G C -1.048 173.849 174.900 -0.006 0.000 1.394 472 G CA -0.452 44.602 45.100 -0.077 0.000 1.044 472 G HN 0.124 nan 8.290 nan 0.000 0.553 473 D N -2.338 118.062 120.400 -0.000 0.000 2.626 473 D HA 0.481 5.121 4.640 0.001 0.000 0.278 473 D C 0.921 177.264 176.300 0.072 0.000 1.211 473 D CA 0.469 54.486 54.000 0.027 0.000 0.903 473 D CB 1.547 42.338 40.800 -0.015 0.000 1.408 473 D HN 0.850 nan 8.370 nan 0.000 0.454 474 G N 1.248 110.081 108.800 0.055 0.000 2.690 474 G HA2 -0.388 3.573 3.960 0.001 0.000 0.334 474 G HA3 -0.388 3.573 3.960 0.001 0.000 0.334 474 G C 0.366 175.319 174.900 0.088 0.000 1.250 474 G CA 0.825 45.961 45.100 0.060 0.000 0.994 474 G HN 0.655 nan 8.290 nan 0.000 0.549 475 N N -0.088 118.672 118.700 0.100 0.000 2.295 475 N HA 0.283 5.023 4.740 0.001 0.000 0.221 475 N C -0.146 175.456 175.510 0.154 0.000 1.129 475 N CA -0.262 52.849 53.050 0.101 0.000 0.836 475 N CB 0.313 38.843 38.487 0.071 0.000 1.040 475 N HN 0.454 nan 8.380 nan 0.000 0.494 476 Y N 1.264 121.590 120.300 0.045 0.000 2.377 476 Y HA 0.433 4.983 4.550 0.000 0.000 0.330 476 Y C 0.543 176.501 175.900 0.098 0.000 1.108 476 Y CA -0.007 58.132 58.100 0.066 0.000 1.308 476 Y CB 0.488 38.976 38.460 0.047 0.000 1.216 476 Y HN -0.022 nan 8.280 nan 0.000 0.518 477 G N 3.952 112.596 108.800 -0.260 0.000 2.749 477 G HA2 0.272 4.232 3.960 0.001 0.000 0.300 477 G HA3 0.272 4.232 3.960 0.001 0.000 0.300 477 G C -2.464 172.395 174.900 -0.068 0.000 1.352 477 G CA -0.874 44.146 45.100 -0.135 0.000 0.789 477 G HN 0.522 nan 8.290 nan 0.000 0.509 478 Y N 1.248 121.492 120.300 -0.093 0.000 2.342 478 Y HA 0.604 5.155 4.550 0.001 0.000 0.334 478 Y C -0.197 175.601 175.900 -0.171 0.000 1.067 478 Y CA -1.573 56.417 58.100 -0.184 0.000 1.128 478 Y CB 1.733 40.100 38.460 -0.156 0.000 1.200 478 Y HN 0.417 nan 8.280 nan 0.000 0.464 479 N N 4.492 122.767 118.700 -0.708 0.000 2.527 479 N HA 0.258 4.999 4.740 0.001 0.000 0.236 479 N C 0.234 175.249 175.510 -0.826 0.000 0.999 479 N CA 0.415 53.132 53.050 -0.554 0.000 0.935 479 N CB 1.304 39.574 38.487 -0.361 0.000 1.132 479 N HN 0.879 nan 8.380 nan 0.000 0.511 480 A N 3.764 126.285 122.820 -0.499 0.000 1.933 480 A HA -0.034 4.286 4.320 0.001 0.000 0.218 480 A C 2.089 179.542 177.584 -0.220 0.000 1.175 480 A CA 1.691 53.551 52.037 -0.295 0.000 0.628 480 A CB -0.645 18.352 19.000 -0.006 0.000 0.814 480 A HN 0.702 nan 8.150 nan 0.000 0.444 481 A N -0.247 122.460 122.820 -0.188 0.000 1.851 481 A HA -0.161 4.160 4.320 0.001 0.000 0.216 481 A C 2.397 179.888 177.584 -0.155 0.000 1.195 481 A CA 2.747 54.704 52.037 -0.133 0.000 0.622 481 A CB -1.266 17.670 19.000 -0.106 0.000 0.831 481 A HN 0.877 nan 8.150 nan 0.000 0.444 482 T N -4.387 110.037 114.554 -0.216 0.000 3.060 482 T HA 0.293 4.644 4.350 0.001 0.000 0.249 482 T C 0.382 174.943 174.700 -0.231 0.000 1.079 482 T CA 0.876 62.865 62.100 -0.185 0.000 1.013 482 T CB -0.127 68.645 68.868 -0.160 0.000 0.975 482 T HN 0.570 nan 8.240 nan 0.000 0.518 483 E N 1.143 121.114 120.200 -0.381 0.000 2.868 483 E HA -0.166 4.185 4.350 0.001 0.000 0.278 483 E C -0.230 176.151 176.600 -0.364 0.000 1.009 483 E CA 0.961 57.145 56.400 -0.360 0.000 0.856 483 E CB -1.294 28.349 29.700 -0.095 0.000 1.428 483 E HN 0.973 nan 8.360 nan 0.000 0.423 484 E N -0.837 119.058 120.200 -0.508 0.000 2.383 484 E HA 0.471 4.822 4.350 0.001 0.000 0.275 484 E C -0.767 175.591 176.600 -0.402 0.000 0.918 484 E CA -0.967 55.229 56.400 -0.341 0.000 0.764 484 E CB 0.970 30.602 29.700 -0.113 0.000 1.252 484 E HN 0.041 nan 8.360 nan 0.000 0.449 485 Y N 0.425 120.713 120.300 -0.019 0.000 2.300 485 Y HA 0.639 5.190 4.550 0.000 0.000 0.328 485 Y C 1.127 176.977 175.900 -0.083 0.000 1.270 485 Y CA 0.916 58.951 58.100 -0.108 0.000 1.352 485 Y CB 1.625 40.007 38.460 -0.130 0.000 1.286 485 Y HN 0.855 nan 8.280 nan 0.000 0.536 486 G N 0.423 109.223 108.800 0.000 0.000 2.321 486 G HA2 0.020 3.981 3.960 0.001 0.000 0.296 486 G HA3 0.020 3.981 3.960 0.001 0.000 0.296 486 G C -1.962 173.000 174.900 0.104 0.000 1.287 486 G CA -1.179 43.987 45.100 0.109 0.000 0.846 486 G HN 0.559 nan 8.290 nan 0.000 0.508 487 N N 1.071 119.843 118.700 0.121 0.000 2.406 487 N HA 0.115 4.855 4.740 0.001 0.000 0.251 487 N C 1.684 177.222 175.510 0.046 0.000 1.069 487 N CA -0.546 52.567 53.050 0.106 0.000 0.947 487 N CB 0.803 39.348 38.487 0.097 0.000 1.111 487 N HN 0.395 nan 8.380 nan 0.000 0.497 488 M N 3.479 123.099 119.600 0.034 0.000 2.149 488 M HA -0.152 4.329 4.480 0.001 0.000 0.261 488 M C 1.606 177.912 176.300 0.011 0.000 1.064 488 M CA 1.076 56.381 55.300 0.009 0.000 1.102 488 M CB -0.579 32.026 32.600 0.009 0.000 1.369 488 M HN 0.544 nan 8.290 nan 0.000 0.408 489 I N 0.384 120.968 120.570 0.022 0.000 2.394 489 I HA -0.222 3.948 4.170 0.001 0.000 0.251 489 I C 1.763 177.888 176.117 0.014 0.000 1.136 489 I CA 1.255 62.566 61.300 0.018 0.000 1.425 489 I CB -1.365 36.648 38.000 0.022 0.000 1.079 489 I HN 0.237 nan 8.210 nan 0.000 0.425 490 D N 0.810 121.222 120.400 0.019 0.000 2.149 490 D HA -0.075 4.565 4.640 0.001 0.000 0.201 490 D C 2.173 178.477 176.300 0.005 0.000 0.972 490 D CA 1.004 55.013 54.000 0.015 0.000 0.835 490 D CB -0.030 40.785 40.800 0.024 0.000 0.966 490 D HN 0.330 nan 8.370 nan 0.000 0.476 491 M N -0.719 118.881 119.600 -0.001 0.000 2.618 491 M HA 0.173 4.653 4.480 0.001 0.000 0.240 491 M C 1.211 177.501 176.300 -0.018 0.000 1.123 491 M CA 0.542 55.833 55.300 -0.016 0.000 1.060 491 M CB 0.458 33.038 32.600 -0.034 0.000 1.535 491 M HN 0.040 nan 8.290 nan 0.000 0.507 492 G N 1.896 110.691 108.800 -0.009 0.000 2.184 492 G HA2 -0.256 3.704 3.960 0.001 0.000 0.264 492 G HA3 -0.256 3.704 3.960 0.001 0.000 0.264 492 G C 0.221 175.115 174.900 -0.010 0.000 0.975 492 G CA -0.191 44.904 45.100 -0.008 0.000 0.642 492 G HN 0.554 nan 8.290 nan 0.000 0.536 493 I N 2.049 122.610 120.570 -0.014 0.000 2.268 493 I HA 0.294 4.464 4.170 0.001 0.000 0.298 493 I C 0.549 176.665 176.117 -0.002 0.000 1.185 493 I CA 0.005 61.297 61.300 -0.014 0.000 1.548 493 I CB -0.230 37.755 38.000 -0.025 0.000 1.492 493 I HN 0.079 nan 8.210 nan 0.000 0.711 494 L N 3.204 124.429 121.223 0.002 0.000 2.296 494 L HA 0.581 4.922 4.340 0.001 0.000 0.286 494 L C -0.532 176.344 176.870 0.010 0.000 1.023 494 L CA -0.964 53.881 54.840 0.008 0.000 0.812 494 L CB 1.140 43.204 42.059 0.009 0.000 1.223 494 L HN 0.205 nan 8.230 nan 0.000 0.421 495 D N 2.977 123.384 120.400 0.012 0.000 2.225 495 D HA 0.390 5.031 4.640 0.001 0.000 0.249 495 D C -2.447 173.863 176.300 0.016 0.000 1.052 495 D CA -1.478 52.531 54.000 0.015 0.000 0.909 495 D CB 1.531 42.341 40.800 0.016 0.000 1.186 495 D HN 0.261 nan 8.370 nan 0.000 0.431 496 P HA 0.154 nan 4.420 nan 0.000 0.279 496 P C 0.626 177.935 177.300 0.016 0.000 1.239 496 P CA -0.275 62.836 63.100 0.019 0.000 0.789 496 P CB 0.775 32.491 31.700 0.026 0.000 0.933 497 T N 1.630 116.191 114.554 0.011 0.000 2.674 497 T HA -0.187 4.163 4.350 0.001 0.000 0.265 497 T C 1.638 176.339 174.700 0.002 0.000 1.039 497 T CA 1.328 63.431 62.100 0.006 0.000 1.150 497 T CB -0.467 68.403 68.868 0.003 0.000 0.864 497 T HN 0.492 nan 8.240 nan 0.000 0.427 498 K N 0.877 121.281 120.400 0.006 0.000 2.077 498 K HA -0.192 4.128 4.320 0.001 0.000 0.213 498 K C 2.413 179.018 176.600 0.010 0.000 1.051 498 K CA 1.947 58.238 56.287 0.006 0.000 0.929 498 K CB -0.563 31.948 32.500 0.019 0.000 0.715 498 K HN 0.304 nan 8.250 nan 0.000 0.451 499 V N 0.023 119.951 119.914 0.024 0.000 2.295 499 V HA -0.200 3.921 4.120 0.001 0.000 0.246 499 V C 1.781 177.883 176.094 0.014 0.000 1.049 499 V CA 2.538 64.856 62.300 0.030 0.000 1.024 499 V CB -0.814 31.035 31.823 0.043 0.000 0.648 499 V HN 0.427 nan 8.190 nan 0.000 0.447 500 T N 0.646 115.204 114.554 0.007 0.000 2.746 500 T HA -0.148 4.203 4.350 0.001 0.000 0.267 500 T C 2.040 176.728 174.700 -0.020 0.000 1.039 500 T CA 1.844 63.944 62.100 0.000 0.000 1.142 500 T CB -0.453 68.417 68.868 0.004 0.000 0.866 500 T HN 0.521 nan 8.240 nan 0.000 0.444 501 R N 1.153 121.633 120.500 -0.033 0.000 2.082 501 R HA -0.101 4.239 4.340 0.001 0.000 0.234 501 R C 2.557 178.783 176.300 -0.123 0.000 1.136 501 R CA 1.974 58.035 56.100 -0.065 0.000 0.935 501 R CB -0.807 29.458 30.300 -0.059 0.000 0.842 501 R HN 0.291 nan 8.270 nan 0.000 0.430 502 S N 0.604 116.224 115.700 -0.133 0.000 2.368 502 S HA -0.135 4.335 4.470 0.001 0.000 0.225 502 S C 2.034 176.527 174.600 -0.179 0.000 1.030 502 S CA 1.230 59.275 58.200 -0.260 0.000 0.999 502 S CB -0.356 62.799 63.200 -0.075 0.000 0.844 502 S HN 0.581 nan 8.310 nan 0.000 0.459 503 A N 1.941 124.751 122.820 -0.017 0.000 1.869 503 A HA -0.157 4.164 4.320 0.001 0.000 0.218 503 A C 2.124 179.707 177.584 -0.001 0.000 1.203 503 A CA 1.615 53.676 52.037 0.039 0.000 0.638 503 A CB -1.068 17.953 19.000 0.034 0.000 0.831 503 A HN 0.456 nan 8.150 nan 0.000 0.450 504 L N -0.764 120.434 121.223 -0.041 0.000 1.989 504 L HA -0.277 4.063 4.340 0.001 0.000 0.211 504 L C 2.860 179.690 176.870 -0.067 0.000 1.071 504 L CA 2.430 57.246 54.840 -0.039 0.000 0.749 504 L CB -0.804 41.231 42.059 -0.040 0.000 0.890 504 L HN 0.582 nan 8.230 nan 0.000 0.431 505 Q N -1.288 118.410 119.800 -0.171 0.000 2.061 505 Q HA -0.256 4.084 4.340 0.001 0.000 0.204 505 Q C 2.049 177.987 176.000 -0.104 0.000 0.984 505 Q CA 2.061 57.742 55.803 -0.202 0.000 0.846 505 Q CB -0.212 28.308 28.738 -0.362 0.000 0.902 505 Q HN 0.491 nan 8.270 nan 0.000 0.421 506 Y N -0.209 120.098 120.300 0.011 0.000 2.184 506 Y HA -0.100 4.451 4.550 0.001 0.000 0.290 506 Y C 2.380 178.286 175.900 0.010 0.000 1.129 506 Y CA 0.662 58.768 58.100 0.011 0.000 1.144 506 Y CB -1.075 37.392 38.460 0.011 0.000 0.995 506 Y HN 0.115 nan 8.280 nan 0.000 0.513 507 A N 0.341 123.257 122.820 0.159 0.000 1.908 507 A HA -0.186 4.135 4.320 0.001 0.000 0.218 507 A C 2.521 180.147 177.584 0.070 0.000 1.181 507 A CA 2.303 54.396 52.037 0.094 0.000 0.627 507 A CB -1.288 17.749 19.000 0.062 0.000 0.818 507 A HN 0.403 nan 8.150 nan 0.000 0.445 508 A N -0.876 121.975 122.820 0.052 0.000 1.877 508 A HA -0.129 4.192 4.320 0.001 0.000 0.216 508 A C 2.485 180.096 177.584 0.046 0.000 1.186 508 A CA 2.307 54.365 52.037 0.035 0.000 0.620 508 A CB -1.157 17.852 19.000 0.016 0.000 0.822 508 A HN 0.608 nan 8.150 nan 0.000 0.443 509 S N -0.563 115.177 115.700 0.068 0.000 2.359 509 S HA -0.188 4.283 4.470 0.001 0.000 0.222 509 S C 1.962 176.600 174.600 0.062 0.000 1.038 509 S CA 2.284 60.529 58.200 0.075 0.000 1.051 509 S CB -0.754 62.521 63.200 0.124 0.000 0.944 509 S HN 0.432 nan 8.310 nan 0.000 0.433 510 V N 2.343 122.298 119.914 0.068 0.000 2.237 510 V HA -0.078 4.043 4.120 0.001 0.000 0.245 510 V C 2.910 179.026 176.094 0.037 0.000 1.046 510 V CA 1.820 64.148 62.300 0.046 0.000 1.007 510 V CB -1.712 30.134 31.823 0.039 0.000 0.638 510 V HN 0.620 nan 8.190 nan 0.000 0.445 511 A N 0.908 123.750 122.820 0.037 0.000 2.024 511 A HA -0.070 4.250 4.320 0.001 0.000 0.220 511 A C 2.349 179.948 177.584 0.025 0.000 1.164 511 A CA 1.953 54.008 52.037 0.029 0.000 0.643 511 A CB -1.293 17.724 19.000 0.027 0.000 0.806 511 A HN 0.581 nan 8.150 nan 0.000 0.451 512 G N 0.005 108.821 108.800 0.027 0.000 2.480 512 G HA2 -0.212 3.748 3.960 0.001 0.000 0.216 512 G HA3 -0.212 3.748 3.960 0.001 0.000 0.216 512 G C 1.547 176.460 174.900 0.022 0.000 1.200 512 G CA 1.033 46.147 45.100 0.023 0.000 0.782 512 G HN 0.424 nan 8.290 nan 0.000 0.554 513 L N -0.453 120.785 121.223 0.024 0.000 2.013 513 L HA -0.151 4.190 4.340 0.001 0.000 0.212 513 L C 2.981 179.863 176.870 0.020 0.000 1.073 513 L CA 1.646 56.499 54.840 0.022 0.000 0.753 513 L CB -0.281 41.792 42.059 0.023 0.000 0.890 513 L HN 0.289 nan 8.230 nan 0.000 0.432 514 M N -0.014 119.599 119.600 0.021 0.000 2.149 514 M HA -0.224 4.257 4.480 0.001 0.000 0.261 514 M C 1.996 178.307 176.300 0.017 0.000 1.064 514 M CA 1.815 57.127 55.300 0.019 0.000 1.102 514 M CB -0.137 32.475 32.600 0.020 0.000 1.369 514 M HN 0.316 nan 8.290 nan 0.000 0.408 515 I N -2.813 117.767 120.570 0.017 0.000 3.291 515 I HA -0.009 4.162 4.170 0.001 0.000 0.279 515 I C 1.456 177.582 176.117 0.015 0.000 1.294 515 I CA 1.053 62.362 61.300 0.014 0.000 1.428 515 I CB -1.029 36.979 38.000 0.014 0.000 1.070 515 I HN 0.230 nan 8.210 nan 0.000 0.478 516 T N -2.482 112.082 114.554 0.017 0.000 3.235 516 T HA 0.171 4.522 4.350 0.001 0.000 0.251 516 T C 0.655 175.368 174.700 0.021 0.000 1.060 516 T CA -0.238 61.873 62.100 0.018 0.000 0.949 516 T CB -0.834 68.045 68.868 0.019 0.000 1.020 516 T HN 0.193 nan 8.240 nan 0.000 0.564 517 T N 2.457 117.021 114.554 0.018 0.000 2.749 517 T HA 0.310 4.660 4.350 0.001 0.000 0.295 517 T C 0.714 175.426 174.700 0.021 0.000 0.936 517 T CA -0.274 61.836 62.100 0.017 0.000 1.060 517 T CB 1.479 70.354 68.868 0.012 0.000 0.904 517 T HN 0.356 nan 8.240 nan 0.000 0.500 518 E N 1.510 121.730 120.200 0.033 0.000 2.485 518 E HA 0.208 4.558 4.350 0.001 0.000 0.213 518 E C -0.047 176.595 176.600 0.069 0.000 0.923 518 E CA -0.050 56.387 56.400 0.061 0.000 1.054 518 E CB 0.513 30.263 29.700 0.083 0.000 1.077 518 E HN 0.582 nan 8.360 nan 0.000 0.509 519 C N 0.357 119.659 119.300 0.002 0.000 2.880 519 C HA 0.727 5.187 4.460 0.001 0.000 0.320 519 C C -1.542 173.372 174.990 -0.126 0.000 1.176 519 C CA -0.705 58.230 59.018 -0.138 0.000 1.390 519 C CB 0.514 28.178 27.740 -0.127 0.000 1.846 519 C HN 0.307 nan 8.230 nan 0.000 0.478 520 M N 4.717 124.217 119.600 -0.167 0.000 2.395 520 M HA 0.595 5.075 4.480 0.001 0.000 0.307 520 M C -1.200 175.139 176.300 0.066 0.000 1.091 520 M CA -0.578 54.729 55.300 0.011 0.000 0.919 520 M CB 2.202 34.885 32.600 0.138 0.000 1.662 520 M HN 0.404 nan 8.290 nan 0.000 0.440 521 V N 1.615 121.556 119.914 0.044 0.000 2.443 521 V HA 0.668 4.788 4.120 0.001 0.000 0.293 521 V C -0.364 175.702 176.094 -0.047 0.000 1.021 521 V CA -0.348 61.954 62.300 0.004 0.000 0.848 521 V CB 1.845 33.654 31.823 -0.024 0.000 0.998 521 V HN 0.958 nan 8.190 nan 0.000 0.424 522 T N 2.224 116.700 114.554 -0.129 0.000 2.812 522 T HA 0.447 4.797 4.350 0.001 0.000 0.294 522 T C -1.131 173.449 174.700 -0.200 0.000 1.159 522 T CA -0.523 61.441 62.100 -0.227 0.000 1.008 522 T CB 1.912 70.509 68.868 -0.452 0.000 1.289 522 T HN 0.597 nan 8.240 nan 0.000 0.514 523 D N 1.341 121.634 120.400 -0.179 0.000 2.368 523 D HA 0.310 4.950 4.640 0.001 0.000 0.240 523 D C 0.194 176.405 176.300 -0.148 0.000 1.169 523 D CA 0.075 53.997 54.000 -0.131 0.000 0.906 523 D CB 0.369 41.109 40.800 -0.101 0.000 1.187 523 D HN 0.372 nan 8.370 nan 0.000 0.435 524 L N 2.550 123.719 121.223 -0.090 0.000 2.439 524 L HA 0.231 4.572 4.340 0.001 0.000 0.269 524 L C -1.400 175.431 176.870 -0.066 0.000 1.179 524 L CA -1.460 53.339 54.840 -0.068 0.000 0.828 524 L CB 0.287 42.327 42.059 -0.032 0.000 1.106 524 L HN 0.338 nan 8.230 nan 0.000 0.467 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.077 63.100 -0.039 0.000 0.800 525 P CB 0.000 31.690 31.700 -0.016 0.000 0.726