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 1svt_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 18.984 19.000 -0.026 0.000 0.831 3 A N 2.060 124.871 122.820 -0.014 0.000 2.567 3 A HA 0.476 4.797 4.320 0.001 0.000 0.240 3 A C 0.330 177.901 177.584 -0.023 0.000 1.053 3 A CA 0.503 52.533 52.037 -0.012 0.000 0.755 3 A CB -0.160 18.836 19.000 -0.007 0.000 0.978 3 A HN 0.615 nan 8.150 nan 0.000 0.507 4 K N 1.573 121.961 120.400 -0.020 0.000 2.123 4 K HA 0.443 4.763 4.320 0.001 0.000 0.248 4 K C -0.886 175.702 176.600 -0.020 0.000 0.969 4 K CA -0.679 55.589 56.287 -0.032 0.000 0.882 4 K CB 1.201 33.686 32.500 -0.025 0.000 1.080 4 K HN 0.723 nan 8.250 nan 0.000 0.441 5 D N 1.162 121.541 120.400 -0.034 0.000 2.308 5 D HA 0.328 4.969 4.640 0.001 0.000 0.242 5 D C -1.235 175.116 176.300 0.085 0.000 1.059 5 D CA -0.600 53.416 54.000 0.026 0.000 0.830 5 D CB 1.306 42.101 40.800 -0.007 0.000 1.161 5 D HN 0.251 nan 8.370 nan 0.000 0.494 6 V N 0.979 120.931 119.914 0.064 0.000 2.604 6 V HA 0.706 4.826 4.120 0.001 0.000 0.305 6 V C -0.768 175.223 176.094 -0.173 0.000 1.043 6 V CA -0.650 61.614 62.300 -0.059 0.000 0.888 6 V CB 1.889 33.591 31.823 -0.202 0.000 0.995 6 V HN 0.382 nan 8.190 nan 0.000 0.429 7 K N 3.784 123.980 120.400 -0.340 0.000 2.375 7 K HA 0.668 4.988 4.320 0.001 0.000 0.249 7 K C -1.797 174.465 176.600 -0.564 0.000 0.942 7 K CA -0.443 55.591 56.287 -0.422 0.000 0.806 7 K CB 2.532 34.634 32.500 -0.664 0.000 1.227 7 K HN 0.737 nan 8.250 nan 0.000 0.430 8 F N -0.046 119.848 119.950 -0.094 0.000 2.538 8 F HA 0.374 4.901 4.527 0.001 0.000 0.325 8 F C 1.272 177.029 175.800 -0.072 0.000 1.066 8 F CA 0.259 58.222 58.000 -0.062 0.000 0.946 8 F CB 1.882 40.862 39.000 -0.034 0.000 1.199 8 F HN 0.862 nan 8.300 nan 0.000 0.473 9 G N 2.298 111.203 108.800 0.176 0.000 2.651 9 G HA2 -0.512 3.449 3.960 0.001 0.000 0.315 9 G HA3 -0.512 3.449 3.960 0.001 0.000 0.315 9 G C 0.967 175.881 174.900 0.022 0.000 1.258 9 G CA 1.145 46.297 45.100 0.086 0.000 1.002 9 G HN 0.852 nan 8.290 nan 0.000 0.551 10 N N 0.694 119.402 118.700 0.014 0.000 2.120 10 N HA -0.072 4.668 4.740 0.001 0.000 0.188 10 N C 1.757 177.244 175.510 -0.038 0.000 1.024 10 N CA 2.384 55.428 53.050 -0.010 0.000 0.852 10 N CB -0.234 38.249 38.487 -0.006 0.000 1.003 10 N HN 0.535 nan 8.380 nan 0.000 0.424 11 D N 0.324 120.695 120.400 -0.048 0.000 2.092 11 D HA -0.146 4.494 4.640 0.001 0.000 0.193 11 D C 1.976 178.163 176.300 -0.189 0.000 0.994 11 D CA 1.552 55.490 54.000 -0.103 0.000 0.828 11 D CB -0.941 39.794 40.800 -0.109 0.000 0.963 11 D HN 0.432 nan 8.370 nan 0.000 0.450 12 A N 0.964 123.648 122.820 -0.228 0.000 1.915 12 A HA -0.316 4.005 4.320 0.001 0.000 0.220 12 A C 2.194 179.672 177.584 -0.176 0.000 1.198 12 A CA 2.210 54.067 52.037 -0.300 0.000 0.647 12 A CB -0.678 18.197 19.000 -0.208 0.000 0.825 12 A HN 0.164 nan 8.150 nan 0.000 0.456 13 R N -1.216 119.228 120.500 -0.094 0.000 2.090 13 R HA -0.017 4.323 4.340 0.001 0.000 0.228 13 R C 2.114 178.388 176.300 -0.042 0.000 1.110 13 R CA 1.233 57.303 56.100 -0.049 0.000 0.973 13 R CB -0.430 29.855 30.300 -0.025 0.000 0.869 13 R HN 0.420 nan 8.270 nan 0.000 0.440 14 V N 1.738 121.622 119.914 -0.051 0.000 2.261 14 V HA -0.278 3.843 4.120 0.001 0.000 0.246 14 V C 2.194 178.269 176.094 -0.032 0.000 1.047 14 V CA 1.664 63.943 62.300 -0.035 0.000 1.015 14 V CB -0.369 31.434 31.823 -0.033 0.000 0.642 14 V HN 0.251 nan 8.190 nan 0.000 0.446 15 K N -0.338 120.028 120.400 -0.058 0.000 2.020 15 K HA -0.244 4.077 4.320 0.001 0.000 0.212 15 K C 2.133 178.740 176.600 0.012 0.000 1.050 15 K CA 1.974 58.248 56.287 -0.022 0.000 0.929 15 K CB -0.780 31.687 32.500 -0.055 0.000 0.714 15 K HN 0.413 nan 8.250 nan 0.000 0.443 16 M N 0.560 120.156 119.600 -0.006 0.000 2.195 16 M HA -0.211 4.269 4.480 0.001 0.000 0.260 16 M C 2.033 178.345 176.300 0.020 0.000 1.066 16 M CA 1.316 56.629 55.300 0.021 0.000 1.089 16 M CB -0.025 32.580 32.600 0.008 0.000 1.377 16 M HN 0.090 nan 8.290 nan 0.000 0.411 17 L N 0.065 121.293 121.223 0.009 0.000 2.068 17 L HA -0.067 4.273 4.340 0.001 0.000 0.204 17 L C 2.220 179.098 176.870 0.014 0.000 1.076 17 L CA 1.679 56.524 54.840 0.010 0.000 0.753 17 L CB -0.710 41.351 42.059 0.004 0.000 0.910 17 L HN 0.183 nan 8.230 nan 0.000 0.439 18 R N -0.354 120.154 120.500 0.014 0.000 2.119 18 R HA -0.192 4.149 4.340 0.001 0.000 0.246 18 R C 2.135 178.448 176.300 0.022 0.000 1.146 18 R CA 1.428 57.538 56.100 0.018 0.000 0.962 18 R CB -1.162 29.150 30.300 0.020 0.000 0.863 18 R HN 0.597 nan 8.270 nan 0.000 0.442 19 G N 0.707 109.525 108.800 0.030 0.000 2.511 19 G HA2 -0.269 3.692 3.960 0.001 0.000 0.216 19 G HA3 -0.269 3.692 3.960 0.001 0.000 0.216 19 G C 1.496 176.410 174.900 0.023 0.000 1.218 19 G CA 1.249 46.368 45.100 0.031 0.000 0.788 19 G HN 0.157 nan 8.290 nan 0.000 0.560 20 V N 1.673 121.600 119.914 0.022 0.000 2.222 20 V HA -0.379 3.742 4.120 0.001 0.000 0.252 20 V C 2.512 178.615 176.094 0.016 0.000 1.060 20 V CA 2.524 64.835 62.300 0.018 0.000 1.027 20 V CB -1.152 30.682 31.823 0.018 0.000 0.644 20 V HN 0.509 nan 8.190 nan 0.000 0.448 21 N N -0.144 118.564 118.700 0.014 0.000 2.037 21 N HA -0.199 4.541 4.740 0.001 0.000 0.196 21 N C 1.743 177.260 175.510 0.011 0.000 1.034 21 N CA 1.618 54.675 53.050 0.012 0.000 0.861 21 N CB -0.383 38.110 38.487 0.011 0.000 1.039 21 N HN 0.330 nan 8.380 nan 0.000 0.427 22 V N 1.588 121.509 119.914 0.012 0.000 2.282 22 V HA -0.228 3.892 4.120 0.001 0.000 0.249 22 V C 2.205 178.305 176.094 0.010 0.000 1.057 22 V CA 1.440 63.747 62.300 0.011 0.000 1.032 22 V CB -0.646 31.184 31.823 0.012 0.000 0.645 22 V HN 0.380 nan 8.190 nan 0.000 0.447 23 L N 0.942 122.171 121.223 0.011 0.000 1.988 23 L HA -0.050 4.290 4.340 0.001 0.000 0.207 23 L C 2.543 179.419 176.870 0.010 0.000 1.071 23 L CA 2.744 57.591 54.840 0.010 0.000 0.744 23 L CB -1.774 40.292 42.059 0.012 0.000 0.893 23 L HN 0.268 nan 8.230 nan 0.000 0.433 24 A N -0.058 122.769 122.820 0.012 0.000 1.892 24 A HA -0.280 4.040 4.320 0.001 0.000 0.218 24 A C 1.932 179.521 177.584 0.010 0.000 1.188 24 A CA 2.129 54.173 52.037 0.012 0.000 0.631 24 A CB -1.053 17.955 19.000 0.013 0.000 0.822 24 A HN 0.596 nan 8.150 nan 0.000 0.447 25 D N -0.134 120.271 120.400 0.009 0.000 2.190 25 D HA -0.076 4.564 4.640 0.001 0.000 0.200 25 D C 2.029 178.333 176.300 0.005 0.000 0.992 25 D CA 1.554 55.558 54.000 0.007 0.000 0.854 25 D CB -0.360 40.443 40.800 0.006 0.000 0.936 25 D HN 0.494 nan 8.370 nan 0.000 0.462 26 A N 0.039 122.862 122.820 0.005 0.000 2.072 26 A HA 0.008 4.329 4.320 0.001 0.000 0.216 26 A C 2.344 179.930 177.584 0.004 0.000 1.156 26 A CA 0.465 52.504 52.037 0.003 0.000 0.701 26 A CB -0.063 18.939 19.000 0.003 0.000 0.816 26 A HN 0.145 nan 8.150 nan 0.000 0.458 27 V N -0.182 119.736 119.914 0.006 0.000 2.535 27 V HA -0.125 3.996 4.120 0.001 0.000 0.246 27 V C 2.233 178.331 176.094 0.007 0.000 1.045 27 V CA 1.721 64.025 62.300 0.006 0.000 1.058 27 V CB -0.501 31.327 31.823 0.009 0.000 0.689 27 V HN 0.477 nan 8.190 nan 0.000 0.461 28 K N 0.575 120.980 120.400 0.008 0.000 2.218 28 K HA -0.160 4.160 4.320 0.001 0.000 0.205 28 K C 1.877 178.481 176.600 0.006 0.000 1.046 28 K CA 1.708 58.000 56.287 0.008 0.000 0.933 28 K CB -0.252 32.253 32.500 0.008 0.000 0.728 28 K HN 0.591 nan 8.250 nan 0.000 0.454 29 V N -1.456 118.461 119.914 0.004 0.000 3.380 29 V HA -0.065 4.056 4.120 0.001 0.000 0.268 29 V C 1.692 177.788 176.094 0.003 0.000 1.168 29 V CA 1.607 63.909 62.300 0.003 0.000 1.156 29 V CB -0.695 31.128 31.823 0.001 0.000 0.785 29 V HN 0.267 nan 8.190 nan 0.000 0.487 30 T N -2.136 112.420 114.554 0.003 0.000 3.107 30 T HA 0.292 4.643 4.350 0.001 0.000 0.249 30 T C 0.517 175.219 174.700 0.003 0.000 1.096 30 T CA -0.084 62.017 62.100 0.002 0.000 1.012 30 T CB -0.093 68.775 68.868 0.001 0.000 0.977 30 T HN 0.377 nan 8.240 nan 0.000 0.527 31 L N 2.559 123.786 121.223 0.006 0.000 2.367 31 L HA 0.576 4.916 4.340 0.001 0.000 0.275 31 L C 0.638 177.513 176.870 0.009 0.000 1.129 31 L CA 1.469 56.314 54.840 0.008 0.000 0.839 31 L CB -0.386 41.680 42.059 0.012 0.000 1.133 31 L HN 0.651 nan 8.230 nan 0.000 0.453 32 G N 4.334 113.138 108.800 0.008 0.000 2.661 32 G HA2 -0.137 3.824 3.960 0.001 0.000 0.685 32 G HA3 -0.137 3.824 3.960 0.001 0.000 0.685 32 G C -2.258 172.642 174.900 0.000 0.000 1.298 32 G CA -0.315 44.789 45.100 0.007 0.000 0.855 32 G HN 0.540 nan 8.290 nan 0.000 0.560 33 P HA -0.004 nan 4.420 nan 0.000 0.219 33 P C 0.921 178.215 177.300 -0.010 0.000 1.150 33 P CA 1.283 64.376 63.100 -0.013 0.000 0.814 33 P CB 0.088 31.772 31.700 -0.026 0.000 0.787 34 K N 0.567 120.965 120.400 -0.003 0.000 2.684 34 K HA 0.255 4.575 4.320 0.001 0.000 0.215 34 K C 1.000 177.601 176.600 0.002 0.000 1.073 34 K CA -0.267 56.020 56.287 -0.000 0.000 1.197 34 K CB 0.133 32.636 32.500 0.004 0.000 0.955 34 K HN 0.064 nan 8.250 nan 0.000 0.473 35 G N 1.353 110.153 108.800 0.001 0.000 2.442 35 G HA2 0.116 4.077 3.960 0.001 0.000 0.249 35 G HA3 0.116 4.077 3.960 0.001 0.000 0.249 35 G C -0.092 174.807 174.900 -0.002 0.000 1.263 35 G CA -0.407 44.693 45.100 0.001 0.000 0.846 35 G HN 0.232 nan 8.290 nan 0.000 0.555 36 R N 1.010 121.509 120.500 -0.001 0.000 2.797 36 R HA 0.392 4.733 4.340 0.001 0.000 0.251 36 R C -0.421 175.877 176.300 -0.004 0.000 1.107 36 R CA -0.994 55.104 56.100 -0.003 0.000 1.084 36 R CB 1.020 31.319 30.300 -0.003 0.000 1.205 36 R HN 0.468 nan 8.270 nan 0.000 0.515 37 N N -0.294 118.403 118.700 -0.005 0.000 2.483 37 N HA 0.419 5.159 4.740 0.001 0.000 0.285 37 N C -0.989 174.517 175.510 -0.007 0.000 1.210 37 N CA -0.539 52.508 53.050 -0.006 0.000 0.931 37 N CB 1.924 40.406 38.487 -0.007 0.000 1.220 37 N HN 0.120 nan 8.380 nan 0.000 0.542 38 V N 0.836 120.746 119.914 -0.007 0.000 2.628 38 V HA 0.387 4.508 4.120 0.001 0.000 0.306 38 V C -0.083 176.003 176.094 -0.012 0.000 1.045 38 V CA -0.864 61.431 62.300 -0.009 0.000 0.905 38 V CB 2.056 33.875 31.823 -0.007 0.000 0.997 38 V HN 0.295 nan 8.190 nan 0.000 0.436 39 V N 5.727 125.632 119.914 -0.016 0.000 2.383 39 V HA 0.425 4.545 4.120 0.001 0.000 0.275 39 V C -0.200 175.877 176.094 -0.028 0.000 1.036 39 V CA -0.355 61.932 62.300 -0.023 0.000 0.889 39 V CB 1.210 33.017 31.823 -0.025 0.000 0.985 39 V HN 0.613 nan 8.190 nan 0.000 0.459 40 L N 4.043 125.246 121.223 -0.033 0.000 2.295 40 L HA 0.463 4.803 4.340 0.001 0.000 0.281 40 L C 0.099 176.922 176.870 -0.078 0.000 1.018 40 L CA -0.567 54.248 54.840 -0.041 0.000 0.841 40 L CB 1.280 43.325 42.059 -0.022 0.000 1.218 40 L HN 0.531 nan 8.230 nan 0.000 0.424 41 D N 3.585 123.924 120.400 -0.102 0.000 2.390 41 D HA 0.127 4.768 4.640 0.001 0.000 0.236 41 D C -0.436 175.684 176.300 -0.300 0.000 1.189 41 D CA 0.656 54.555 54.000 -0.168 0.000 0.887 41 D CB 0.752 41.464 40.800 -0.147 0.000 1.198 41 D HN 0.367 nan 8.370 nan 0.000 0.444 42 K N 0.829 120.933 120.400 -0.493 0.000 2.651 42 K HA 0.132 4.453 4.320 0.001 0.000 0.259 42 K C 0.871 176.823 176.600 -1.080 0.000 1.017 42 K CA -0.381 55.210 56.287 -1.160 0.000 0.897 42 K CB 1.292 33.297 32.500 -0.825 0.000 1.262 42 K HN 0.381 nan 8.250 nan 0.000 0.460 43 S N 3.170 118.212 115.700 -1.097 0.000 2.378 43 S HA -0.256 4.215 4.470 0.001 0.000 0.221 43 S C 1.510 176.037 174.600 -0.122 0.000 1.037 43 S CA 1.643 59.630 58.200 -0.354 0.000 1.069 43 S CB -0.837 62.349 63.200 -0.023 0.000 1.006 43 S HN 0.549 nan 8.310 nan 0.000 0.423 44 F N 2.435 122.382 119.950 -0.005 0.000 2.757 44 F HA -0.229 4.298 4.527 0.001 0.000 0.272 44 F C 1.813 177.610 175.800 -0.005 0.000 1.291 44 F CA 0.683 58.680 58.000 -0.005 0.000 1.576 44 F CB -2.119 36.878 39.000 -0.006 0.000 0.729 44 F HN 0.629 nan 8.300 nan 0.000 0.523 45 G N -1.105 107.778 108.800 0.139 0.000 3.008 45 G HA2 0.686 4.646 3.960 0.001 0.000 0.181 45 G HA3 0.686 4.646 3.960 0.001 0.000 0.181 45 G C -0.596 174.286 174.900 -0.029 0.000 1.309 45 G CA -0.292 44.839 45.100 0.051 0.000 1.009 45 G HN 0.775 nan 8.290 nan 0.000 0.584 46 A N -0.094 122.713 122.820 -0.020 0.000 2.346 46 A HA 0.660 4.981 4.320 0.001 0.000 0.252 46 A C -1.957 175.587 177.584 -0.067 0.000 1.089 46 A CA -0.643 51.370 52.037 -0.041 0.000 0.797 46 A CB -0.308 18.679 19.000 -0.022 0.000 1.047 46 A HN 0.413 nan 8.150 nan 0.000 0.494 47 P HA 0.246 nan 4.420 nan 0.000 0.272 47 P C -0.258 177.013 177.300 -0.048 0.000 1.254 47 P CA 0.131 63.182 63.100 -0.082 0.000 0.795 47 P CB 0.415 32.072 31.700 -0.071 0.000 1.022 48 T N 0.753 115.283 114.554 -0.040 0.000 2.848 48 T HA 0.558 4.908 4.350 0.001 0.000 0.285 48 T C -0.243 174.446 174.700 -0.017 0.000 0.995 48 T CA -0.251 61.838 62.100 -0.019 0.000 0.970 48 T CB 0.192 69.055 68.868 -0.009 0.000 0.976 48 T HN 0.076 nan 8.240 nan 0.000 0.441 49 I N 2.505 123.067 120.570 -0.012 0.000 2.437 49 I HA 0.633 4.803 4.170 0.001 0.000 0.298 49 I C 0.502 176.614 176.117 -0.008 0.000 0.984 49 I CA -0.072 61.221 61.300 -0.012 0.000 1.214 49 I CB 2.034 40.028 38.000 -0.011 0.000 1.365 49 I HN 0.480 nan 8.210 nan 0.000 0.469 50 T N 3.756 118.306 114.554 -0.008 0.000 2.942 50 T HA 0.289 4.640 4.350 0.001 0.000 0.327 50 T C -0.062 174.634 174.700 -0.006 0.000 1.360 50 T CA -0.627 61.469 62.100 -0.006 0.000 1.055 50 T CB 1.302 70.167 68.868 -0.004 0.000 1.261 50 T HN 0.695 nan 8.240 nan 0.000 0.485 51 K N 1.512 121.908 120.400 -0.007 0.000 2.355 51 K HA 0.244 4.564 4.320 0.001 0.000 0.198 51 K C -0.117 176.479 176.600 -0.006 0.000 1.039 51 K CA -0.043 56.240 56.287 -0.006 0.000 1.075 51 K CB 0.365 32.861 32.500 -0.007 0.000 0.870 51 K HN 0.533 nan 8.250 nan 0.000 0.540 52 D N -0.593 119.802 120.400 -0.008 0.000 2.380 52 D HA 0.149 4.789 4.640 0.001 0.000 0.230 52 D C 1.133 177.429 176.300 -0.006 0.000 1.154 52 D CA -0.193 53.801 54.000 -0.011 0.000 0.859 52 D CB 1.310 42.099 40.800 -0.018 0.000 1.045 52 D HN 0.186 nan 8.370 nan 0.000 0.495 53 G N 2.629 111.427 108.800 -0.003 0.000 2.469 53 G HA2 -0.273 3.688 3.960 0.001 0.000 0.220 53 G HA3 -0.273 3.688 3.960 0.001 0.000 0.220 53 G C 1.480 176.381 174.900 0.002 0.000 1.136 53 G CA 0.804 45.905 45.100 0.002 0.000 0.759 53 G HN 0.512 nan 8.290 nan 0.000 0.562 54 V N 0.386 120.299 119.914 -0.002 0.000 2.759 54 V HA -0.085 4.035 4.120 0.001 0.000 0.256 54 V C 2.773 178.867 176.094 -0.001 0.000 1.080 54 V CA 2.566 64.865 62.300 -0.003 0.000 1.101 54 V CB -0.180 31.638 31.823 -0.008 0.000 0.698 54 V HN 0.326 nan 8.190 nan 0.000 0.477 55 S N -0.592 115.108 115.700 -0.001 0.000 2.377 55 S HA -0.084 4.386 4.470 0.001 0.000 0.223 55 S C 1.834 176.439 174.600 0.008 0.000 1.030 55 S CA 1.387 59.590 58.200 0.004 0.000 0.970 55 S CB 0.162 63.364 63.200 0.003 0.000 0.830 55 S HN 0.497 nan 8.310 nan 0.000 0.473 56 V N 2.240 122.157 119.914 0.004 0.000 2.295 56 V HA -0.205 3.916 4.120 0.001 0.000 0.246 56 V C 2.638 178.736 176.094 0.007 0.000 1.049 56 V CA 1.731 64.034 62.300 0.004 0.000 1.024 56 V CB -1.237 30.588 31.823 0.002 0.000 0.648 56 V HN 0.515 nan 8.190 nan 0.000 0.447 57 A N 0.423 123.247 122.820 0.006 0.000 1.849 57 A HA -0.269 4.051 4.320 0.001 0.000 0.217 57 A C 2.291 179.879 177.584 0.007 0.000 1.202 57 A CA 2.076 54.117 52.037 0.006 0.000 0.629 57 A CB -0.665 18.338 19.000 0.004 0.000 0.834 57 A HN 0.508 nan 8.150 nan 0.000 0.447 58 R N -0.249 120.256 120.500 0.008 0.000 2.276 58 R HA -0.135 4.205 4.340 0.001 0.000 0.243 58 R C 1.348 177.660 176.300 0.020 0.000 1.161 58 R CA 1.256 57.362 56.100 0.011 0.000 1.007 58 R CB -0.259 30.048 30.300 0.012 0.000 0.867 58 R HN 0.599 nan 8.270 nan 0.000 0.472 59 E N 0.232 120.445 120.200 0.021 0.000 2.400 59 E HA 0.039 4.389 4.350 0.001 0.000 0.195 59 E C 0.627 177.238 176.600 0.018 0.000 1.012 59 E CA 0.156 56.572 56.400 0.026 0.000 0.875 59 E CB 0.266 29.979 29.700 0.022 0.000 0.859 59 E HN 0.131 nan 8.360 nan 0.000 0.498 60 I N 1.899 122.477 120.570 0.012 0.000 2.634 60 I HA 0.110 4.281 4.170 0.001 0.000 0.284 60 I C 0.438 176.561 176.117 0.010 0.000 1.124 60 I CA 0.179 61.485 61.300 0.010 0.000 1.417 60 I CB 0.183 38.188 38.000 0.008 0.000 1.396 60 I HN -0.008 nan 8.210 nan 0.000 0.571 61 E N 5.373 125.578 120.200 0.009 0.000 2.406 61 E HA 0.397 4.748 4.350 0.001 0.000 0.297 61 E C -1.998 174.604 176.600 0.005 0.000 0.917 61 E CA -0.602 55.802 56.400 0.006 0.000 0.795 61 E CB 1.486 31.191 29.700 0.008 0.000 1.285 61 E HN 0.242 nan 8.360 nan 0.000 0.400 62 L N 2.976 124.202 121.223 0.004 0.000 2.335 62 L HA 0.403 4.743 4.340 0.001 0.000 0.268 62 L C 1.421 178.290 176.870 -0.001 0.000 1.016 62 L CA -0.004 54.840 54.840 0.005 0.000 0.805 62 L CB 1.195 43.262 42.059 0.013 0.000 1.311 62 L HN 0.848 nan 8.230 nan 0.000 0.456 63 E N -0.432 119.768 120.200 0.001 0.000 2.102 63 E HA -0.092 4.259 4.350 0.001 0.000 0.190 63 E C 0.017 176.610 176.600 -0.011 0.000 0.971 63 E CA 0.050 56.447 56.400 -0.006 0.000 0.821 63 E CB 0.313 30.011 29.700 -0.003 0.000 0.777 63 E HN 0.655 nan 8.360 nan 0.000 0.460 64 D N 0.978 121.382 120.400 0.005 0.000 2.401 64 D HA -0.058 4.582 4.640 0.001 0.000 0.254 64 D C 0.607 176.901 176.300 -0.010 0.000 1.192 64 D CA 0.145 54.154 54.000 0.015 0.000 0.885 64 D CB 1.063 41.898 40.800 0.059 0.000 1.147 64 D HN -0.049 nan 8.370 nan 0.000 0.478 65 K N 3.397 123.735 120.400 -0.104 0.000 2.288 65 K HA -0.084 4.237 4.320 0.001 0.000 0.201 65 K C 1.580 178.068 176.600 -0.188 0.000 1.048 65 K CA 0.605 56.777 56.287 -0.192 0.000 0.956 65 K CB -0.069 32.225 32.500 -0.344 0.000 0.746 65 K HN 0.480 nan 8.250 nan 0.000 0.461 66 F N 1.625 121.563 119.950 -0.019 0.000 2.179 66 F HA -0.013 4.514 4.527 0.001 0.000 0.292 66 F C 2.260 178.051 175.800 -0.015 0.000 1.089 66 F CA 0.864 58.851 58.000 -0.022 0.000 1.295 66 F CB -0.379 38.606 39.000 -0.025 0.000 1.041 66 F HN 0.047 nan 8.300 nan 0.000 0.487 67 E N 0.026 120.338 120.200 0.187 0.000 2.085 67 E HA -0.274 4.076 4.350 0.001 0.000 0.194 67 E C 1.861 178.500 176.600 0.065 0.000 0.994 67 E CA 1.349 57.809 56.400 0.100 0.000 0.801 67 E CB -0.437 29.306 29.700 0.072 0.000 0.743 67 E HN 0.270 nan 8.360 nan 0.000 0.453 68 N N 0.921 119.645 118.700 0.041 0.000 2.060 68 N HA -0.212 4.528 4.740 0.001 0.000 0.195 68 N C 1.740 177.263 175.510 0.021 0.000 1.028 68 N CA 1.594 54.654 53.050 0.016 0.000 0.861 68 N CB -0.109 38.371 38.487 -0.012 0.000 1.029 68 N HN 0.107 nan 8.380 nan 0.000 0.428 69 M N -0.693 118.927 119.600 0.035 0.000 2.117 69 M HA -0.075 4.405 4.480 0.001 0.000 0.262 69 M C 2.141 178.466 176.300 0.042 0.000 1.065 69 M CA 1.642 56.965 55.300 0.038 0.000 1.114 69 M CB -0.672 31.969 32.600 0.069 0.000 1.361 69 M HN 0.342 nan 8.290 nan 0.000 0.408 70 G N 0.115 108.947 108.800 0.054 0.000 2.586 70 G HA2 -0.287 3.673 3.960 0.001 0.000 0.218 70 G HA3 -0.287 3.673 3.960 0.001 0.000 0.218 70 G C 1.540 176.457 174.900 0.027 0.000 1.216 70 G CA 1.317 46.441 45.100 0.039 0.000 0.786 70 G HN 0.569 nan 8.290 nan 0.000 0.583 71 A N -0.622 122.213 122.820 0.025 0.000 1.972 71 A HA -0.024 4.296 4.320 0.001 0.000 0.219 71 A C 2.334 179.926 177.584 0.013 0.000 1.169 71 A CA 1.842 53.890 52.037 0.018 0.000 0.635 71 A CB -0.288 18.722 19.000 0.016 0.000 0.810 71 A HN 0.356 nan 8.150 nan 0.000 0.446 72 Q N -1.183 118.624 119.800 0.012 0.000 2.436 72 Q HA 0.029 4.369 4.340 0.001 0.000 0.209 72 Q C 1.799 177.802 176.000 0.006 0.000 0.965 72 Q CA 0.973 56.780 55.803 0.006 0.000 0.910 72 Q CB -0.134 28.606 28.738 0.003 0.000 0.980 72 Q HN 0.786 nan 8.270 nan 0.000 0.491 73 M N -0.828 118.779 119.600 0.011 0.000 2.557 73 M HA -0.077 4.404 4.480 0.001 0.000 0.262 73 M C 2.073 178.380 176.300 0.011 0.000 1.168 73 M CA 0.542 55.849 55.300 0.011 0.000 1.194 73 M CB 0.258 32.868 32.600 0.017 0.000 1.311 73 M HN -0.001 nan 8.290 nan 0.000 0.489 74 V N -0.482 119.441 119.914 0.015 0.000 2.490 74 V HA -0.236 3.884 4.120 0.001 0.000 0.250 74 V C 2.049 178.149 176.094 0.010 0.000 1.061 74 V CA 1.848 64.157 62.300 0.016 0.000 1.064 74 V CB -1.443 30.391 31.823 0.019 0.000 0.670 74 V HN 0.512 nan 8.190 nan 0.000 0.461 75 K N 0.952 121.355 120.400 0.006 0.000 2.442 75 K HA -0.245 4.075 4.320 0.001 0.000 0.199 75 K C 2.027 178.621 176.600 -0.011 0.000 1.044 75 K CA 1.852 58.139 56.287 0.000 0.000 0.941 75 K CB -0.122 32.379 32.500 0.001 0.000 0.759 75 K HN 0.698 nan 8.250 nan 0.000 0.472 76 E N 0.581 120.773 120.200 -0.015 0.000 2.442 76 E HA -0.080 4.270 4.350 0.001 0.000 0.195 76 E C 1.759 178.326 176.600 -0.055 0.000 1.030 76 E CA 0.392 56.770 56.400 -0.037 0.000 0.869 76 E CB 0.334 30.015 29.700 -0.032 0.000 0.857 76 E HN 0.300 nan 8.360 nan 0.000 0.505 77 V N -0.713 119.191 119.914 -0.017 0.000 2.446 77 V HA 0.037 4.157 4.120 0.001 0.000 0.244 77 V C 2.146 178.236 176.094 -0.007 0.000 1.039 77 V CA 1.588 63.892 62.300 0.007 0.000 1.045 77 V CB -0.109 31.753 31.823 0.064 0.000 0.681 77 V HN 0.239 nan 8.190 nan 0.000 0.459 78 A N -0.014 122.806 122.820 0.000 0.000 1.930 78 A HA -0.133 4.188 4.320 0.001 0.000 0.217 78 A C 2.549 180.120 177.584 -0.021 0.000 1.175 78 A CA 2.222 54.261 52.037 0.005 0.000 0.627 78 A CB -0.984 18.020 19.000 0.007 0.000 0.815 78 A HN 0.673 nan 8.150 nan 0.000 0.443 79 S N -0.804 114.869 115.700 -0.043 0.000 2.338 79 S HA -0.152 4.318 4.470 0.001 0.000 0.218 79 S C 2.236 176.772 174.600 -0.108 0.000 1.032 79 S CA 1.539 59.703 58.200 -0.059 0.000 0.999 79 S CB -0.300 62.866 63.200 -0.056 0.000 0.905 79 S HN 0.386 nan 8.310 nan 0.000 0.439 80 K N 1.560 121.839 120.400 -0.202 0.000 2.034 80 K HA -0.092 4.228 4.320 0.001 0.000 0.214 80 K C 2.301 178.676 176.600 -0.374 0.000 1.051 80 K CA 1.594 57.635 56.287 -0.411 0.000 0.931 80 K CB -1.374 30.671 32.500 -0.758 0.000 0.715 80 K HN 0.414 nan 8.250 nan 0.000 0.446 81 A N 2.133 124.841 122.820 -0.186 0.000 1.893 81 A HA -0.330 3.991 4.320 0.001 0.000 0.222 81 A C 2.109 179.736 177.584 0.072 0.000 1.309 81 A CA 2.559 54.669 52.037 0.122 0.000 0.681 81 A CB -1.216 17.869 19.000 0.142 0.000 0.842 81 A HN 0.626 nan 8.150 nan 0.000 0.468 82 N N -0.335 118.376 118.700 0.019 0.000 2.137 82 N HA -0.208 4.532 4.740 0.001 0.000 0.190 82 N C 0.881 176.417 175.510 0.044 0.000 1.017 82 N CA 1.847 54.911 53.050 0.023 0.000 0.859 82 N CB -0.344 38.141 38.487 -0.002 0.000 1.002 82 N HN 0.555 nan 8.380 nan 0.000 0.428 83 D N -0.023 120.383 120.400 0.009 0.000 2.269 83 D HA -0.025 4.615 4.640 0.001 0.000 0.208 83 D C 1.504 177.842 176.300 0.063 0.000 0.963 83 D CA 0.713 54.728 54.000 0.025 0.000 0.864 83 D CB 0.032 40.819 40.800 -0.023 0.000 0.936 83 D HN 0.417 nan 8.370 nan 0.000 0.505 84 A N 0.990 123.863 122.820 0.087 0.000 1.963 84 A HA 0.447 4.767 4.320 0.001 0.000 0.211 84 A C 2.182 179.848 177.584 0.137 0.000 1.380 84 A CA 0.975 53.091 52.037 0.131 0.000 0.690 84 A CB -0.658 18.487 19.000 0.241 0.000 1.060 84 A HN 0.158 nan 8.150 nan 0.000 0.498 85 A N -1.369 121.546 122.820 0.159 0.000 1.824 85 A HA 0.320 4.641 4.320 0.001 0.000 0.215 85 A C 2.137 179.823 177.584 0.171 0.000 1.209 85 A CA 2.557 54.677 52.037 0.138 0.000 0.614 85 A CB -1.191 17.887 19.000 0.129 0.000 0.852 85 A HN 2.024 nan 8.150 nan 0.000 0.447 86 G N -2.393 106.501 108.800 0.156 0.000 2.192 86 G HA2 -0.022 3.938 3.960 0.001 0.000 0.193 86 G HA3 -0.022 3.938 3.960 0.001 0.000 0.193 86 G C -0.149 174.749 174.900 -0.005 0.000 0.999 86 G CA 0.693 45.863 45.100 0.116 0.000 0.659 86 G HN 0.876 nan 8.290 nan 0.000 0.503 87 D N -2.635 117.786 120.400 0.036 0.000 2.779 87 D HA 0.545 5.186 4.640 0.001 0.000 0.331 87 D C 1.197 177.520 176.300 0.039 0.000 1.331 87 D CA 1.265 55.277 54.000 0.019 0.000 0.866 87 D CB 0.424 41.237 40.800 0.023 0.000 1.409 87 D HN 1.349 nan 8.370 nan 0.000 0.486 88 G N -0.628 108.192 108.800 0.032 0.000 2.184 88 G HA2 -0.346 3.614 3.960 0.001 0.000 0.264 88 G HA3 -0.346 3.614 3.960 0.001 0.000 0.264 88 G C 1.029 175.955 174.900 0.044 0.000 0.975 88 G CA 2.018 47.142 45.100 0.041 0.000 0.642 88 G HN 0.801 nan 8.290 nan 0.000 0.536 89 T N -1.835 112.740 114.554 0.035 0.000 2.720 89 T HA -0.115 4.235 4.350 0.001 0.000 0.268 89 T C 2.230 176.946 174.700 0.028 0.000 1.037 89 T CA 2.476 64.596 62.100 0.032 0.000 1.144 89 T CB -0.722 68.155 68.868 0.015 0.000 0.864 89 T HN 0.381 nan 8.240 nan 0.000 0.444 90 T N 1.849 116.416 114.554 0.021 0.000 2.737 90 T HA -0.083 4.268 4.350 0.001 0.000 0.265 90 T C 2.299 177.013 174.700 0.024 0.000 1.038 90 T CA 1.707 63.819 62.100 0.019 0.000 1.144 90 T CB -0.958 67.918 68.868 0.013 0.000 0.866 90 T HN 0.471 nan 8.240 nan 0.000 0.434 91 T N 2.283 116.853 114.554 0.027 0.000 2.580 91 T HA -0.159 4.192 4.350 0.001 0.000 0.265 91 T C 2.381 177.102 174.700 0.035 0.000 1.063 91 T CA 1.558 63.675 62.100 0.028 0.000 1.170 91 T CB -0.864 68.022 68.868 0.029 0.000 0.863 91 T HN 0.435 nan 8.240 nan 0.000 0.418 92 A N 1.015 123.863 122.820 0.048 0.000 1.929 92 A HA -0.279 4.042 4.320 0.001 0.000 0.221 92 A C 2.541 180.156 177.584 0.051 0.000 1.211 92 A CA 2.787 54.862 52.037 0.065 0.000 0.657 92 A CB -1.546 17.514 19.000 0.100 0.000 0.827 92 A HN 0.528 nan 8.150 nan 0.000 0.462 93 T N -0.622 113.956 114.554 0.040 0.000 2.777 93 T HA -0.079 4.271 4.350 0.001 0.000 0.266 93 T C 1.858 176.575 174.700 0.028 0.000 1.040 93 T CA 1.551 63.670 62.100 0.032 0.000 1.141 93 T CB -0.391 68.492 68.868 0.024 0.000 0.868 93 T HN 0.241 nan 8.240 nan 0.000 0.444 94 V N 1.300 121.229 119.914 0.025 0.000 2.515 94 V HA -0.055 4.066 4.120 0.001 0.000 0.250 94 V C 2.364 178.471 176.094 0.021 0.000 1.058 94 V CA 1.265 63.578 62.300 0.021 0.000 1.064 94 V CB -0.696 31.138 31.823 0.019 0.000 0.675 94 V HN 0.423 nan 8.190 nan 0.000 0.461 95 L N 0.109 121.347 121.223 0.025 0.000 2.156 95 L HA -0.020 4.320 4.340 0.001 0.000 0.208 95 L C 2.686 179.571 176.870 0.025 0.000 1.095 95 L CA 1.229 56.083 54.840 0.023 0.000 0.770 95 L CB -0.615 41.459 42.059 0.025 0.000 0.914 95 L HN 0.337 nan 8.230 nan 0.000 0.439 96 A N 0.275 123.113 122.820 0.030 0.000 1.897 96 A HA -0.245 4.075 4.320 0.001 0.000 0.215 96 A C 2.204 179.803 177.584 0.025 0.000 1.181 96 A CA 1.547 53.602 52.037 0.032 0.000 0.620 96 A CB -0.487 18.535 19.000 0.037 0.000 0.821 96 A HN 0.518 nan 8.150 nan 0.000 0.443 97 Q N -0.268 119.545 119.800 0.022 0.000 2.364 97 Q HA 0.120 4.461 4.340 0.001 0.000 0.207 97 Q C 1.621 177.630 176.000 0.015 0.000 0.970 97 Q CA 1.801 57.615 55.803 0.018 0.000 0.888 97 Q CB -0.331 28.417 28.738 0.016 0.000 0.951 97 Q HN 0.482 nan 8.270 nan 0.000 0.469 98 A N 0.592 123.421 122.820 0.016 0.000 1.901 98 A HA 0.124 4.445 4.320 0.001 0.000 0.210 98 A C 2.036 179.627 177.584 0.013 0.000 1.208 98 A CA 0.649 52.694 52.037 0.013 0.000 0.644 98 A CB -0.403 18.605 19.000 0.013 0.000 0.863 98 A HN 0.396 nan 8.150 nan 0.000 0.454 99 I N 0.025 120.604 120.570 0.015 0.000 2.248 99 I HA -0.297 3.874 4.170 0.001 0.000 0.248 99 I C 2.283 178.408 176.117 0.013 0.000 1.107 99 I CA 1.439 62.748 61.300 0.014 0.000 1.373 99 I CB -0.302 37.709 38.000 0.017 0.000 1.055 99 I HN 0.313 nan 8.210 nan 0.000 0.418 100 I N -0.044 120.535 120.570 0.015 0.000 2.233 100 I HA -0.229 3.942 4.170 0.001 0.000 0.243 100 I C 2.549 178.673 176.117 0.011 0.000 1.093 100 I CA 1.386 62.694 61.300 0.014 0.000 1.380 100 I CB -0.357 37.652 38.000 0.015 0.000 1.067 100 I HN 0.205 nan 8.210 nan 0.000 0.413 101 T N 0.063 114.623 114.554 0.010 0.000 2.674 101 T HA -0.175 4.176 4.350 0.001 0.000 0.265 101 T C 1.848 176.552 174.700 0.007 0.000 1.039 101 T CA 1.256 63.361 62.100 0.008 0.000 1.150 101 T CB -0.164 68.708 68.868 0.007 0.000 0.864 101 T HN 0.196 nan 8.240 nan 0.000 0.427 102 E N 0.703 120.907 120.200 0.007 0.000 2.077 102 E HA -0.020 4.330 4.350 0.001 0.000 0.193 102 E C 2.439 179.043 176.600 0.006 0.000 0.989 102 E CA 1.146 57.550 56.400 0.006 0.000 0.800 102 E CB -1.037 28.667 29.700 0.007 0.000 0.746 102 E HN 0.520 nan 8.360 nan 0.000 0.452 103 G N 1.418 110.222 108.800 0.008 0.000 2.587 103 G HA2 -0.271 3.690 3.960 0.001 0.000 0.217 103 G HA3 -0.271 3.690 3.960 0.001 0.000 0.217 103 G C 1.661 176.565 174.900 0.007 0.000 1.240 103 G CA 1.149 46.253 45.100 0.008 0.000 0.794 103 G HN 0.282 nan 8.290 nan 0.000 0.580 104 L N 0.323 121.550 121.223 0.006 0.000 2.265 104 L HA -0.036 4.305 4.340 0.001 0.000 0.215 104 L C 2.775 179.647 176.870 0.003 0.000 1.117 104 L CA 1.174 56.017 54.840 0.005 0.000 0.782 104 L CB -0.307 41.754 42.059 0.003 0.000 0.914 104 L HN 0.251 nan 8.230 nan 0.000 0.441 105 K N 0.506 120.908 120.400 0.004 0.000 2.097 105 K HA -0.147 4.174 4.320 0.001 0.000 0.205 105 K C 2.201 178.802 176.600 0.003 0.000 1.050 105 K CA 1.178 57.466 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 0.282 nan 8.250 nan 0.000 0.442 106 A N 0.609 123.431 122.820 0.004 0.000 1.873 106 A HA -0.091 4.229 4.320 0.001 0.000 0.215 106 A C 2.192 179.778 177.584 0.004 0.000 1.186 106 A CA 1.385 53.424 52.037 0.004 0.000 0.616 106 A CB -0.626 18.377 19.000 0.004 0.000 0.823 106 A HN 0.141 nan 8.150 nan 0.000 0.442 107 V N 0.049 119.966 119.914 0.005 0.000 2.380 107 V HA -0.284 3.836 4.120 0.001 0.000 0.251 107 V C 2.883 178.979 176.094 0.004 0.000 1.063 107 V CA 1.955 64.258 62.300 0.005 0.000 1.055 107 V CB -1.157 30.669 31.823 0.006 0.000 0.657 107 V HN 0.601 nan 8.190 nan 0.000 0.455 108 A N -0.522 122.299 122.820 0.003 0.000 2.209 108 A HA 0.255 4.575 4.320 0.001 0.000 0.212 108 A C 2.033 179.618 177.584 0.001 0.000 1.158 108 A CA 1.166 53.204 52.037 0.001 0.000 0.742 108 A CB -0.382 18.619 19.000 0.000 0.000 0.790 108 A HN 0.574 nan 8.150 nan 0.000 0.472 109 A N -1.799 121.022 122.820 0.001 0.000 2.345 109 A HA 0.452 4.772 4.320 0.001 0.000 0.225 109 A C 1.705 179.290 177.584 0.001 0.000 1.243 109 A CA 0.975 53.012 52.037 0.001 0.000 0.875 109 A CB -0.784 18.217 19.000 0.001 0.000 0.929 109 A HN 1.686 nan 8.150 nan 0.000 0.502 110 G N -1.377 107.423 108.800 0.001 0.000 2.205 110 G HA2 -0.314 3.646 3.960 0.001 0.000 0.261 110 G HA3 -0.314 3.646 3.960 0.001 0.000 0.261 110 G C 0.309 175.210 174.900 0.002 0.000 0.980 110 G CA 0.585 45.686 45.100 0.001 0.000 0.632 110 G HN 0.414 nan 8.290 nan 0.000 0.533 111 M N 0.802 120.404 119.600 0.003 0.000 2.247 111 M HA 0.253 4.734 4.480 0.001 0.000 0.318 111 M C 0.755 177.058 176.300 0.005 0.000 1.054 111 M CA 0.320 55.622 55.300 0.004 0.000 1.117 111 M CB 0.254 32.856 32.600 0.004 0.000 1.515 111 M HN 0.366 nan 8.290 nan 0.000 0.442 112 N N 2.861 121.564 118.700 0.005 0.000 2.439 112 N HA 0.320 5.060 4.740 0.001 0.000 0.249 112 N C -2.403 173.112 175.510 0.008 0.000 1.003 112 N CA -1.939 51.115 53.050 0.006 0.000 0.942 112 N CB 1.106 39.596 38.487 0.006 0.000 1.115 112 N HN 0.188 nan 8.380 nan 0.000 0.505 113 P HA -0.133 nan 4.420 nan 0.000 0.215 113 P C 1.489 178.796 177.300 0.012 0.000 1.153 113 P CA 0.960 64.066 63.100 0.011 0.000 0.853 113 P CB 0.135 31.843 31.700 0.013 0.000 0.788 114 M N -0.526 119.081 119.600 0.012 0.000 2.337 114 M HA -0.156 4.324 4.480 0.001 0.000 0.261 114 M C 1.134 177.441 176.300 0.010 0.000 1.067 114 M CA 1.584 56.891 55.300 0.012 0.000 1.074 114 M CB -1.522 31.085 32.600 0.012 0.000 1.395 114 M HN -0.081 nan 8.290 nan 0.000 0.431 115 D N -0.820 119.585 120.400 0.009 0.000 2.201 115 D HA 0.034 4.674 4.640 0.001 0.000 0.209 115 D C 2.169 178.473 176.300 0.008 0.000 0.961 115 D CA 0.673 54.678 54.000 0.008 0.000 0.861 115 D CB -0.012 40.792 40.800 0.006 0.000 0.997 115 D HN 0.303 nan 8.370 nan 0.000 0.486 116 L N 1.020 122.248 121.223 0.008 0.000 2.012 116 L HA -0.205 4.135 4.340 0.001 0.000 0.210 116 L C 2.530 179.405 176.870 0.009 0.000 1.073 116 L CA 1.236 56.081 54.840 0.008 0.000 0.748 116 L CB -0.375 41.689 42.059 0.008 0.000 0.891 116 L HN 0.009 nan 8.230 nan 0.000 0.431 117 K N 0.380 120.786 120.400 0.011 0.000 1.987 117 K HA -0.236 4.084 4.320 0.001 0.000 0.216 117 K C 2.285 178.891 176.600 0.010 0.000 1.051 117 K CA 1.737 58.031 56.287 0.012 0.000 0.942 117 K CB -0.108 32.401 32.500 0.014 0.000 0.722 117 K HN 0.174 nan 8.250 nan 0.000 0.444 118 R N -0.378 120.128 120.500 0.009 0.000 2.133 118 R HA -0.159 4.181 4.340 0.001 0.000 0.247 118 R C 2.414 178.718 176.300 0.006 0.000 1.151 118 R CA 1.428 57.533 56.100 0.008 0.000 0.971 118 R CB -0.666 29.639 30.300 0.007 0.000 0.866 118 R HN 0.473 nan 8.270 nan 0.000 0.447 119 G N 1.534 110.337 108.800 0.006 0.000 2.453 119 G HA2 -0.235 3.725 3.960 0.001 0.000 0.215 119 G HA3 -0.235 3.725 3.960 0.001 0.000 0.215 119 G C 1.486 176.389 174.900 0.005 0.000 1.201 119 G CA 0.635 45.739 45.100 0.005 0.000 0.784 119 G HN 0.151 nan 8.290 nan 0.000 0.545 120 I N 1.425 121.999 120.570 0.006 0.000 2.143 120 I HA -0.266 3.904 4.170 0.001 0.000 0.245 120 I C 2.345 178.465 176.117 0.005 0.000 1.068 120 I CA 1.839 63.143 61.300 0.007 0.000 1.326 120 I CB -0.130 37.876 38.000 0.009 0.000 1.028 120 I HN 0.150 nan 8.210 nan 0.000 0.412 121 D N 0.185 120.588 120.400 0.006 0.000 2.144 121 D HA -0.189 4.451 4.640 0.001 0.000 0.200 121 D C 2.057 178.358 176.300 0.001 0.000 0.978 121 D CA 1.020 55.023 54.000 0.004 0.000 0.833 121 D CB -0.242 40.562 40.800 0.007 0.000 0.961 121 D HN 0.384 nan 8.370 nan 0.000 0.470 122 K N 1.008 121.409 120.400 0.002 0.000 2.097 122 K HA -0.066 4.254 4.320 0.001 0.000 0.205 122 K C 2.052 178.651 176.600 -0.001 0.000 1.050 122 K CA 1.058 57.345 56.287 0.000 0.000 0.938 122 K CB 0.058 32.559 32.500 0.002 0.000 0.718 122 K HN -0.011 nan 8.250 nan 0.000 0.442 123 A N 0.653 123.472 122.820 -0.000 0.000 1.877 123 A HA -0.106 4.214 4.320 0.001 0.000 0.216 123 A C 2.222 179.804 177.584 -0.004 0.000 1.186 123 A CA 1.559 53.596 52.037 -0.001 0.000 0.620 123 A CB -0.714 18.287 19.000 0.001 0.000 0.822 123 A HN 0.160 nan 8.150 nan 0.000 0.443 124 V N 0.278 120.189 119.914 -0.005 0.000 2.332 124 V HA -0.257 3.864 4.120 0.001 0.000 0.248 124 V C 2.722 178.807 176.094 -0.015 0.000 1.055 124 V CA 2.502 64.794 62.300 -0.012 0.000 1.038 124 V CB -1.268 30.546 31.823 -0.015 0.000 0.651 124 V HN 0.663 nan 8.190 nan 0.000 0.450 125 T N 0.056 114.603 114.554 -0.012 0.000 2.881 125 T HA -0.101 4.249 4.350 0.001 0.000 0.270 125 T C 1.928 176.621 174.700 -0.011 0.000 1.068 125 T CA 1.373 63.465 62.100 -0.013 0.000 1.131 125 T CB -0.288 68.575 68.868 -0.008 0.000 0.871 125 T HN 0.582 nan 8.240 nan 0.000 0.479 126 A N 1.327 124.142 122.820 -0.008 0.000 1.903 126 A HA 0.468 4.788 4.320 0.001 0.000 0.213 126 A C 2.666 180.246 177.584 -0.007 0.000 1.185 126 A CA 1.182 53.215 52.037 -0.006 0.000 0.628 126 A CB -1.033 17.966 19.000 -0.003 0.000 0.830 126 A HN 0.466 nan 8.150 nan 0.000 0.446 127 A N -0.247 122.568 122.820 -0.008 0.000 1.940 127 A HA -0.043 4.277 4.320 0.001 0.000 0.219 127 A C 2.190 179.767 177.584 -0.012 0.000 1.176 127 A CA 1.922 53.955 52.037 -0.008 0.000 0.631 127 A CB -0.915 18.080 19.000 -0.008 0.000 0.814 127 A HN 0.387 nan 8.150 nan 0.000 0.446 128 V N -0.153 119.750 119.914 -0.019 0.000 2.358 128 V HA -0.196 3.925 4.120 0.001 0.000 0.246 128 V C 2.584 178.669 176.094 -0.016 0.000 1.047 128 V CA 2.109 64.395 62.300 -0.024 0.000 1.035 128 V CB -0.754 31.049 31.823 -0.034 0.000 0.658 128 V HN 0.468 nan 8.190 nan 0.000 0.452 129 E N 0.084 120.277 120.200 -0.012 0.000 2.097 129 E HA -0.206 4.145 4.350 0.001 0.000 0.196 129 E C 2.314 178.911 176.600 -0.005 0.000 1.000 129 E CA 1.241 57.636 56.400 -0.008 0.000 0.804 129 E CB -0.237 29.459 29.700 -0.006 0.000 0.740 129 E HN 0.523 nan 8.360 nan 0.000 0.454 130 E N -0.051 120.146 120.200 -0.004 0.000 2.072 130 E HA -0.053 4.297 4.350 0.001 0.000 0.190 130 E C 2.404 179.004 176.600 0.000 0.000 0.982 130 E CA 0.271 56.670 56.400 -0.001 0.000 0.803 130 E CB -0.268 29.433 29.700 0.001 0.000 0.755 130 E HN 0.280 nan 8.360 nan 0.000 0.453 131 L N 0.873 122.095 121.223 -0.002 0.000 2.051 131 L HA -0.248 4.093 4.340 0.001 0.000 0.214 131 L C 2.287 179.156 176.870 -0.001 0.000 1.076 131 L CA 1.237 56.076 54.840 -0.002 0.000 0.758 131 L CB -0.432 41.623 42.059 -0.006 0.000 0.890 131 L HN -0.012 nan 8.230 nan 0.000 0.433 132 K N 0.003 120.400 120.400 -0.004 0.000 2.281 132 K HA -0.117 4.204 4.320 0.001 0.000 0.203 132 K C 1.995 178.596 176.600 0.001 0.000 1.046 132 K CA 1.298 57.583 56.287 -0.003 0.000 0.938 132 K CB -0.533 31.964 32.500 -0.004 0.000 0.737 132 K HN 0.359 nan 8.250 nan 0.000 0.458 133 A N -0.394 122.427 122.820 0.002 0.000 1.903 133 A HA 0.003 4.324 4.320 0.001 0.000 0.213 133 A C 1.983 179.571 177.584 0.006 0.000 1.185 133 A CA 0.740 52.779 52.037 0.003 0.000 0.628 133 A CB -0.347 18.655 19.000 0.003 0.000 0.830 133 A HN 0.162 nan 8.150 nan 0.000 0.446 134 L N 0.304 121.532 121.223 0.007 0.000 2.156 134 L HA 0.016 4.356 4.340 0.001 0.000 0.208 134 L C 1.718 178.595 176.870 0.010 0.000 1.095 134 L CA 1.228 56.075 54.840 0.011 0.000 0.770 134 L CB -0.368 41.698 42.059 0.012 0.000 0.914 134 L HN 0.376 nan 8.230 nan 0.000 0.439 135 S N -0.139 115.566 115.700 0.008 0.000 2.552 135 S HA 0.268 4.738 4.470 0.001 0.000 0.289 135 S C -0.198 174.406 174.600 0.008 0.000 1.304 135 S CA -0.462 57.743 58.200 0.008 0.000 1.063 135 S CB 0.251 63.454 63.200 0.005 0.000 0.848 135 S HN 0.134 nan 8.310 nan 0.000 0.499 136 V N 2.574 122.493 119.914 0.009 0.000 2.769 136 V HA 0.725 4.846 4.120 0.001 0.000 0.312 136 V C -2.718 173.381 176.094 0.007 0.000 1.061 136 V CA -2.776 59.529 62.300 0.008 0.000 0.931 136 V CB 0.849 32.678 31.823 0.009 0.000 1.010 136 V HN 0.695 nan 8.190 nan 0.000 0.433 137 P HA 0.208 nan 4.420 nan 0.000 0.270 137 P C -0.646 176.658 177.300 0.006 0.000 1.227 137 P CA -0.031 63.073 63.100 0.006 0.000 0.788 137 P CB 0.340 32.042 31.700 0.005 0.000 0.926 138 C N 1.671 120.975 119.300 0.006 0.000 2.478 138 C HA 0.607 5.067 4.460 0.001 0.000 0.334 138 C C 0.947 175.941 174.990 0.006 0.000 1.106 138 C CA 0.519 59.541 59.018 0.007 0.000 1.363 138 C CB -0.448 27.297 27.740 0.009 0.000 1.941 138 C HN 0.685 nan 8.230 nan 0.000 0.436 139 S N 2.218 117.921 115.700 0.005 0.000 2.769 139 S HA 0.198 4.669 4.470 0.001 0.000 0.258 139 S C -0.018 174.584 174.600 0.004 0.000 1.080 139 S CA 0.252 58.454 58.200 0.004 0.000 0.943 139 S CB -0.355 62.846 63.200 0.003 0.000 0.893 139 S HN 0.894 nan 8.310 nan 0.000 0.490 140 D N 2.378 122.781 120.400 0.004 0.000 2.382 140 D HA 0.287 4.927 4.640 0.001 0.000 0.245 140 D C 0.686 176.988 176.300 0.004 0.000 1.120 140 D CA -0.002 54.000 54.000 0.004 0.000 0.890 140 D CB 1.264 42.066 40.800 0.004 0.000 1.201 140 D HN 0.074 nan 8.370 nan 0.000 0.433 141 S N 1.675 117.378 115.700 0.004 0.000 2.413 141 S HA -0.283 4.188 4.470 0.001 0.000 0.237 141 S C 1.581 176.184 174.600 0.004 0.000 1.044 141 S CA 1.847 60.050 58.200 0.004 0.000 1.024 141 S CB -0.274 62.928 63.200 0.004 0.000 0.829 141 S HN 0.736 nan 8.310 nan 0.000 0.475 142 K N 1.222 121.624 120.400 0.004 0.000 2.025 142 K HA 0.005 4.326 4.320 0.001 0.000 0.207 142 K C 2.196 178.799 176.600 0.004 0.000 1.049 142 K CA 1.203 57.493 56.287 0.004 0.000 0.933 142 K CB -0.385 32.117 32.500 0.003 0.000 0.714 142 K HN 0.272 nan 8.250 nan 0.000 0.438 143 A N 1.133 123.956 122.820 0.005 0.000 1.930 143 A HA -0.067 4.253 4.320 0.001 0.000 0.217 143 A C 2.105 179.693 177.584 0.007 0.000 1.175 143 A CA 1.235 53.276 52.037 0.006 0.000 0.627 143 A CB -0.532 18.472 19.000 0.007 0.000 0.815 143 A HN 0.371 nan 8.150 nan 0.000 0.443 144 I N -0.193 120.382 120.570 0.008 0.000 2.163 144 I HA -0.314 3.856 4.170 0.001 0.000 0.243 144 I C 2.983 179.106 176.117 0.009 0.000 1.085 144 I CA 1.133 62.438 61.300 0.009 0.000 1.347 144 I CB -0.271 37.734 38.000 0.009 0.000 1.044 144 I HN 0.366 nan 8.210 nan 0.000 0.408 145 A N -0.091 122.733 122.820 0.007 0.000 1.940 145 A HA -0.298 4.022 4.320 0.001 0.000 0.219 145 A C 2.203 179.790 177.584 0.005 0.000 1.176 145 A CA 1.801 53.841 52.037 0.006 0.000 0.631 145 A CB -0.636 18.367 19.000 0.004 0.000 0.814 145 A HN 0.486 nan 8.150 nan 0.000 0.446 146 Q N -0.545 119.257 119.800 0.004 0.000 2.020 146 Q HA -0.143 4.198 4.340 0.001 0.000 0.202 146 Q C 2.327 178.330 176.000 0.005 0.000 0.982 146 Q CA 2.281 58.086 55.803 0.003 0.000 0.838 146 Q CB -0.595 28.145 28.738 0.002 0.000 0.899 146 Q HN 0.769 nan 8.270 nan 0.000 0.423 147 V N -1.422 118.498 119.914 0.009 0.000 2.287 147 V HA -0.165 3.955 4.120 0.001 0.000 0.248 147 V C 2.014 178.115 176.094 0.013 0.000 1.053 147 V CA 2.237 64.545 62.300 0.012 0.000 1.027 147 V CB -1.735 30.098 31.823 0.017 0.000 0.646 147 V HN 0.409 nan 8.190 nan 0.000 0.447 148 G N 0.159 108.968 108.800 0.015 0.000 2.649 148 G HA2 -0.364 3.597 3.960 0.001 0.000 0.220 148 G HA3 -0.364 3.597 3.960 0.001 0.000 0.220 148 G C 1.600 176.506 174.900 0.009 0.000 1.189 148 G CA 2.252 47.361 45.100 0.015 0.000 0.777 148 G HN 0.540 nan 8.290 nan 0.000 0.602 149 T N 1.024 115.581 114.554 0.005 0.000 2.684 149 T HA -0.121 4.229 4.350 0.001 0.000 0.267 149 T C 2.395 177.094 174.700 -0.002 0.000 1.036 149 T CA 1.395 63.495 62.100 -0.000 0.000 1.148 149 T CB -0.177 68.689 68.868 -0.003 0.000 0.863 149 T HN 0.172 nan 8.240 nan 0.000 0.436 150 I N 0.731 121.300 120.570 -0.002 0.000 2.439 150 I HA -0.066 4.104 4.170 0.001 0.000 0.251 150 I C 2.599 178.715 176.117 -0.002 0.000 1.139 150 I CA 0.719 62.017 61.300 -0.004 0.000 1.438 150 I CB -0.410 37.588 38.000 -0.004 0.000 1.085 150 I HN 0.158 nan 8.210 nan 0.000 0.427 151 S N 0.577 116.278 115.700 0.003 0.000 2.356 151 S HA -0.067 4.404 4.470 0.001 0.000 0.223 151 S C 1.865 176.464 174.600 -0.002 0.000 1.032 151 S CA 1.128 59.330 58.200 0.004 0.000 1.005 151 S CB -0.266 62.940 63.200 0.010 0.000 0.867 151 S HN 0.399 nan 8.310 nan 0.000 0.449 152 A N 1.249 124.068 122.820 -0.002 0.000 2.543 152 A HA 0.338 4.658 4.320 0.001 0.000 0.258 152 A C 0.546 178.127 177.584 -0.006 0.000 1.391 152 A CA -0.018 52.017 52.037 -0.004 0.000 1.066 152 A CB -1.521 17.479 19.000 -0.001 0.000 0.972 152 A HN 0.780 nan 8.150 nan 0.000 0.560 153 N N 0.233 118.929 118.700 -0.007 0.000 2.705 153 N HA -0.218 4.522 4.740 0.001 0.000 0.255 153 N C -0.066 175.437 175.510 -0.011 0.000 1.008 153 N CA 0.495 53.540 53.050 -0.009 0.000 0.742 153 N CB -0.759 37.722 38.487 -0.009 0.000 0.906 153 N HN 0.466 nan 8.380 nan 0.000 0.541 154 S N -0.370 115.323 115.700 -0.012 0.000 3.812 154 S HA -0.196 4.275 4.470 0.001 0.000 0.341 154 S C -0.719 173.873 174.600 -0.013 0.000 1.057 154 S CA 0.985 59.175 58.200 -0.015 0.000 1.015 154 S CB -0.658 62.530 63.200 -0.021 0.000 0.893 154 S HN 0.710 nan 8.310 nan 0.000 0.476 155 D N 0.799 121.193 120.400 -0.009 0.000 2.464 155 D HA 0.309 4.950 4.640 0.001 0.000 0.243 155 D C 1.045 177.342 176.300 -0.005 0.000 1.104 155 D CA -0.549 53.447 54.000 -0.007 0.000 0.883 155 D CB 0.618 41.414 40.800 -0.006 0.000 1.050 155 D HN 0.367 nan 8.370 nan 0.000 0.524 156 E N 1.064 121.260 120.200 -0.006 0.000 2.171 156 E HA -0.153 4.197 4.350 0.001 0.000 0.197 156 E C 1.187 177.786 176.600 -0.002 0.000 0.997 156 E CA 1.355 57.753 56.400 -0.005 0.000 0.810 156 E CB 0.299 29.995 29.700 -0.006 0.000 0.738 156 E HN 0.515 nan 8.360 nan 0.000 0.467 157 T N 0.584 115.137 114.554 -0.002 0.000 2.821 157 T HA -0.097 4.253 4.350 0.001 0.000 0.267 157 T C 2.141 176.842 174.700 0.002 0.000 1.046 157 T CA 1.024 63.124 62.100 0.000 0.000 1.139 157 T CB -0.137 68.731 68.868 -0.000 0.000 0.871 157 T HN 0.006 nan 8.240 nan 0.000 0.454 158 V N 1.520 121.436 119.914 0.002 0.000 2.453 158 V HA 0.004 4.125 4.120 0.001 0.000 0.247 158 V C 2.858 178.957 176.094 0.007 0.000 1.048 158 V CA 1.620 63.923 62.300 0.005 0.000 1.049 158 V CB -1.524 30.302 31.823 0.005 0.000 0.672 158 V HN 0.555 nan 8.190 nan 0.000 0.457 159 G N 0.725 109.528 108.800 0.005 0.000 2.552 159 G HA2 -0.384 3.576 3.960 0.001 0.000 0.216 159 G HA3 -0.384 3.576 3.960 0.001 0.000 0.216 159 G C 1.526 176.430 174.900 0.006 0.000 1.240 159 G CA 1.408 46.511 45.100 0.006 0.000 0.796 159 G HN 0.480 nan 8.290 nan 0.000 0.568 160 K N -0.189 120.213 120.400 0.004 0.000 2.127 160 K HA -0.162 4.159 4.320 0.001 0.000 0.212 160 K C 2.287 178.890 176.600 0.005 0.000 1.050 160 K CA 1.476 57.765 56.287 0.004 0.000 0.929 160 K CB -0.642 31.859 32.500 0.002 0.000 0.715 160 K HN 0.269 nan 8.250 nan 0.000 0.457 161 L N 0.322 121.549 121.223 0.006 0.000 2.095 161 L HA 0.121 4.461 4.340 0.001 0.000 0.204 161 L C 2.093 178.969 176.870 0.010 0.000 1.080 161 L CA 1.390 56.234 54.840 0.007 0.000 0.759 161 L CB -0.442 41.621 42.059 0.008 0.000 0.914 161 L HN 0.295 nan 8.230 nan 0.000 0.439 162 I N -0.755 119.823 120.570 0.012 0.000 2.202 162 I HA -0.288 3.883 4.170 0.001 0.000 0.242 162 I C 2.559 178.683 176.117 0.012 0.000 1.091 162 I CA 1.221 62.530 61.300 0.015 0.000 1.368 162 I CB -0.480 37.532 38.000 0.020 0.000 1.058 162 I HN 0.271 nan 8.210 nan 0.000 0.410 163 A N 0.201 123.027 122.820 0.010 0.000 1.892 163 A HA -0.285 4.035 4.320 0.001 0.000 0.218 163 A C 2.239 179.827 177.584 0.007 0.000 1.188 163 A CA 2.004 54.045 52.037 0.008 0.000 0.631 163 A CB -0.752 18.252 19.000 0.007 0.000 0.822 163 A HN 0.450 nan 8.150 nan 0.000 0.447 164 E N -0.519 119.685 120.200 0.006 0.000 2.085 164 E HA -0.176 4.174 4.350 0.001 0.000 0.194 164 E C 2.364 178.968 176.600 0.006 0.000 0.994 164 E CA 0.962 57.365 56.400 0.005 0.000 0.801 164 E CB -0.303 29.400 29.700 0.005 0.000 0.743 164 E HN 0.632 nan 8.360 nan 0.000 0.453 165 A N 1.472 124.297 122.820 0.007 0.000 1.841 165 A HA -0.244 4.077 4.320 0.001 0.000 0.216 165 A C 2.214 179.802 177.584 0.006 0.000 1.199 165 A CA 1.979 54.021 52.037 0.008 0.000 0.621 165 A CB -0.687 18.319 19.000 0.010 0.000 0.835 165 A HN 0.169 nan 8.150 nan 0.000 0.445 166 M N -0.813 118.791 119.600 0.007 0.000 2.195 166 M HA -0.195 4.286 4.480 0.001 0.000 0.260 166 M C 1.794 178.096 176.300 0.003 0.000 1.066 166 M CA 2.039 57.342 55.300 0.004 0.000 1.089 166 M CB -0.865 31.738 32.600 0.005 0.000 1.377 166 M HN 0.565 nan 8.290 nan 0.000 0.411 167 D N 0.784 121.186 120.400 0.004 0.000 2.123 167 D HA -0.143 4.498 4.640 0.001 0.000 0.196 167 D C 1.869 178.171 176.300 0.002 0.000 0.992 167 D CA 1.451 55.453 54.000 0.003 0.000 0.833 167 D CB 0.189 40.991 40.800 0.003 0.000 0.954 167 D HN 0.275 nan 8.370 nan 0.000 0.455 168 K N -0.733 119.668 120.400 0.003 0.000 2.211 168 K HA 0.025 4.346 4.320 0.001 0.000 0.201 168 K C 2.022 178.623 176.600 0.002 0.000 1.052 168 K CA 0.801 57.090 56.287 0.002 0.000 0.973 168 K CB 0.496 32.998 32.500 0.003 0.000 0.766 168 K HN 0.169 nan 8.250 nan 0.000 0.466 169 V N -2.566 117.349 119.914 0.002 0.000 2.725 169 V HA 0.299 4.420 4.120 0.001 0.000 0.247 169 V C 0.980 177.073 176.094 -0.001 0.000 1.058 169 V CA 0.638 62.938 62.300 0.001 0.000 1.080 169 V CB -0.630 31.194 31.823 0.002 0.000 0.713 169 V HN 0.354 nan 8.190 nan 0.000 0.465 170 G N 0.316 109.115 108.800 -0.001 0.000 2.526 170 G HA2 -0.162 3.798 3.960 0.001 0.000 0.250 170 G HA3 -0.162 3.798 3.960 0.001 0.000 0.250 170 G C 0.072 174.969 174.900 -0.004 0.000 1.289 170 G CA 0.104 45.203 45.100 -0.002 0.000 0.947 170 G HN 0.293 nan 8.290 nan 0.000 0.517 171 K N -0.040 120.357 120.400 -0.005 0.000 2.137 171 K HA 0.095 4.416 4.320 0.001 0.000 0.202 171 K C 1.762 178.356 176.600 -0.010 0.000 1.052 171 K CA 1.167 57.450 56.287 -0.007 0.000 0.961 171 K CB -0.000 32.496 32.500 -0.006 0.000 0.741 171 K HN 0.357 nan 8.250 nan 0.000 0.452 172 E N 0.766 120.959 120.200 -0.010 0.000 2.526 172 E HA 0.008 4.359 4.350 0.001 0.000 0.198 172 E C 0.360 176.951 176.600 -0.014 0.000 1.091 172 E CA 0.231 56.623 56.400 -0.013 0.000 0.880 172 E CB 0.113 29.805 29.700 -0.013 0.000 0.873 172 E HN 0.253 nan 8.360 nan 0.000 0.527 173 G N 0.015 108.808 108.800 -0.011 0.000 2.448 173 G HA2 0.457 4.418 3.960 0.001 0.000 0.324 173 G HA3 0.457 4.418 3.960 0.001 0.000 0.324 173 G C -0.456 174.438 174.900 -0.010 0.000 1.203 173 G CA -0.474 44.621 45.100 -0.009 0.000 0.954 173 G HN -0.059 nan 8.290 nan 0.000 0.480 174 V N 1.488 121.398 119.914 -0.008 0.000 2.617 174 V HA 0.541 4.662 4.120 0.001 0.000 0.298 174 V C -0.115 175.979 176.094 0.000 0.000 1.048 174 V CA -0.500 61.795 62.300 -0.007 0.000 0.964 174 V CB 1.481 33.299 31.823 -0.007 0.000 1.004 174 V HN 0.584 nan 8.190 nan 0.000 0.466 175 I N 3.155 123.727 120.570 0.003 0.000 2.478 175 I HA 0.447 4.617 4.170 0.001 0.000 0.287 175 I C 0.088 176.217 176.117 0.020 0.000 1.042 175 I CA -0.177 61.130 61.300 0.012 0.000 1.067 175 I CB 2.317 40.326 38.000 0.014 0.000 1.233 175 I HN 0.746 nan 8.210 nan 0.000 0.431 176 T N 2.870 117.438 114.554 0.023 0.000 2.945 176 T HA 0.680 5.031 4.350 0.001 0.000 0.286 176 T C -0.504 174.215 174.700 0.032 0.000 1.025 176 T CA -0.882 61.237 62.100 0.032 0.000 1.039 176 T CB 2.426 71.312 68.868 0.029 0.000 1.068 176 T HN 0.311 nan 8.240 nan 0.000 0.497 177 V N 1.829 121.766 119.914 0.038 0.000 2.495 177 V HA 0.779 4.900 4.120 0.001 0.000 0.298 177 V C -1.334 174.777 176.094 0.027 0.000 1.031 177 V CA -0.487 61.833 62.300 0.032 0.000 0.871 177 V CB 1.089 32.934 31.823 0.036 0.000 0.988 177 V HN 1.178 nan 8.190 nan 0.000 0.432 178 E N 3.514 123.727 120.200 0.021 0.000 2.454 178 E HA 0.514 4.865 4.350 0.001 0.000 0.279 178 E C -1.796 174.812 176.600 0.013 0.000 1.029 178 E CA -1.022 55.389 56.400 0.018 0.000 0.831 178 E CB 0.709 30.420 29.700 0.018 0.000 1.405 178 E HN 0.480 nan 8.360 nan 0.000 0.463 179 D N 0.570 120.977 120.400 0.012 0.000 2.425 179 D HA 0.303 4.944 4.640 0.001 0.000 0.247 179 D C 0.213 176.518 176.300 0.007 0.000 1.147 179 D CA 0.425 54.430 54.000 0.009 0.000 0.879 179 D CB 1.043 41.848 40.800 0.009 0.000 1.179 179 D HN 0.549 nan 8.370 nan 0.000 0.456 180 G N 0.134 108.938 108.800 0.006 0.000 2.547 180 G HA2 0.357 4.317 3.960 0.001 0.000 0.291 180 G HA3 0.357 4.317 3.960 0.001 0.000 0.291 180 G C 1.030 175.932 174.900 0.004 0.000 1.211 180 G CA -0.161 44.941 45.100 0.005 0.000 0.950 180 G HN 0.437 nan 8.290 nan 0.000 0.504 181 T N -1.960 112.595 114.554 0.002 0.000 3.004 181 T HA 0.265 4.615 4.350 0.001 0.000 0.243 181 T C 1.590 176.291 174.700 0.002 0.000 1.020 181 T CA 0.841 62.942 62.100 0.002 0.000 1.145 181 T CB -0.488 68.381 68.868 0.001 0.000 0.876 181 T HN 0.755 nan 8.240 nan 0.000 0.449 182 G N 0.946 109.747 108.800 0.001 0.000 2.525 182 G HA2 0.430 4.390 3.960 0.001 0.000 0.276 182 G HA3 0.430 4.390 3.960 0.001 0.000 0.276 182 G C 0.630 175.531 174.900 0.001 0.000 1.388 182 G CA -0.516 44.585 45.100 0.001 0.000 1.050 182 G HN 0.331 nan 8.290 nan 0.000 0.520 183 L N -0.796 120.427 121.223 0.001 0.000 2.375 183 L HA 0.108 4.449 4.340 0.001 0.000 0.215 183 L C 0.558 177.428 176.870 0.001 0.000 1.108 183 L CA 0.744 55.584 54.840 0.000 0.000 0.830 183 L CB -0.275 41.783 42.059 -0.000 0.000 0.959 183 L HN 0.521 nan 8.230 nan 0.000 0.457 184 Q N -0.497 119.304 119.800 0.001 0.000 2.306 184 Q HA 0.319 4.660 4.340 0.001 0.000 0.265 184 Q C -0.747 175.255 176.000 0.002 0.000 1.022 184 Q CA -0.748 55.055 55.803 0.001 0.000 0.853 184 Q CB 0.748 29.487 28.738 0.001 0.000 1.327 184 Q HN -0.021 nan 8.270 nan 0.000 0.449 185 D N 1.421 121.822 120.400 0.002 0.000 2.423 185 D HA 0.092 4.733 4.640 0.001 0.000 0.238 185 D C -0.413 175.889 176.300 0.004 0.000 1.142 185 D CA 0.325 54.328 54.000 0.003 0.000 0.884 185 D CB 0.977 41.779 40.800 0.004 0.000 1.199 185 D HN 0.635 nan 8.370 nan 0.000 0.438 186 E N 0.847 121.050 120.200 0.004 0.000 2.352 186 E HA 0.342 4.692 4.350 0.001 0.000 0.280 186 E C -1.964 174.639 176.600 0.005 0.000 0.930 186 E CA -0.806 55.596 56.400 0.004 0.000 0.765 186 E CB 1.926 31.628 29.700 0.003 0.000 1.219 186 E HN 0.172 nan 8.360 nan 0.000 0.434 187 L N 3.972 125.198 121.223 0.005 0.000 2.305 187 L HA 0.499 4.839 4.340 0.001 0.000 0.284 187 L C -1.382 175.490 176.870 0.005 0.000 1.013 187 L CA -0.225 54.619 54.840 0.006 0.000 0.819 187 L CB 1.374 43.437 42.059 0.006 0.000 1.227 187 L HN 0.438 nan 8.230 nan 0.000 0.417 188 D N 4.492 124.895 120.400 0.005 0.000 2.217 188 D HA 0.450 5.090 4.640 0.001 0.000 0.243 188 D C -0.942 175.361 176.300 0.005 0.000 1.054 188 D CA -0.089 53.913 54.000 0.004 0.000 0.838 188 D CB 2.613 43.414 40.800 0.003 0.000 1.162 188 D HN 0.268 nan 8.370 nan 0.000 0.472 189 V N 2.440 122.356 119.914 0.004 0.000 2.540 189 V HA 0.281 4.402 4.120 0.001 0.000 0.302 189 V C 0.045 176.142 176.094 0.004 0.000 1.035 189 V CA -0.820 61.482 62.300 0.005 0.000 0.873 189 V CB 2.143 33.968 31.823 0.004 0.000 0.992 189 V HN 0.269 nan 8.190 nan 0.000 0.428 190 V N 4.070 123.987 119.914 0.006 0.000 2.370 190 V HA 0.437 4.557 4.120 0.001 0.000 0.279 190 V C 0.093 176.193 176.094 0.009 0.000 1.029 190 V CA -0.776 61.528 62.300 0.007 0.000 0.870 190 V CB 1.422 33.251 31.823 0.009 0.000 0.984 190 V HN 0.772 nan 8.190 nan 0.000 0.451 191 E N 3.106 123.311 120.200 0.008 0.000 2.283 191 E HA 0.515 4.865 4.350 0.001 0.000 0.278 191 E C 0.874 177.482 176.600 0.014 0.000 1.027 191 E CA 0.930 57.335 56.400 0.009 0.000 0.843 191 E CB 1.541 31.244 29.700 0.005 0.000 1.062 191 E HN 0.985 nan 8.360 nan 0.000 0.401 192 G N 3.099 111.908 108.800 0.014 0.000 2.550 192 G HA2 -0.324 3.636 3.960 0.001 0.000 0.277 192 G HA3 -0.324 3.636 3.960 0.001 0.000 0.277 192 G C -0.050 174.869 174.900 0.031 0.000 1.190 192 G CA 0.407 45.518 45.100 0.020 0.000 0.971 192 G HN 0.571 nan 8.290 nan 0.000 0.559 193 M N 0.748 120.377 119.600 0.048 0.000 2.294 193 M HA 0.750 5.230 4.480 0.001 0.000 0.335 193 M C -0.461 175.919 176.300 0.133 0.000 1.079 193 M CA -0.515 54.832 55.300 0.079 0.000 0.982 193 M CB 1.666 34.308 32.600 0.071 0.000 1.651 193 M HN 0.916 nan 8.290 nan 0.000 0.437 194 Q N 4.200 124.099 119.800 0.164 0.000 2.418 194 Q HA 0.669 5.009 4.340 0.001 0.000 0.282 194 Q C -2.157 174.016 176.000 0.288 0.000 1.044 194 Q CA -0.764 55.147 55.803 0.181 0.000 0.813 194 Q CB 2.358 31.122 28.738 0.042 0.000 1.428 194 Q HN 0.799 nan 8.270 nan 0.000 0.402 195 F N -1.068 118.874 119.950 -0.013 0.000 2.685 195 F HA 0.481 5.008 4.527 0.001 0.000 0.315 195 F C -1.068 174.723 175.800 -0.015 0.000 1.126 195 F CA -1.346 56.647 58.000 -0.011 0.000 0.950 195 F CB 0.766 39.762 39.000 -0.007 0.000 1.360 195 F HN 0.410 nan 8.300 nan 0.000 0.469 196 D N 1.539 122.007 120.400 0.114 0.000 2.934 196 D HA 0.262 4.903 4.640 0.001 0.000 0.237 196 D C -0.499 175.784 176.300 -0.027 0.000 1.158 196 D CA 0.026 54.029 54.000 0.005 0.000 0.971 196 D CB -0.128 40.703 40.800 0.052 0.000 1.123 196 D HN 0.220 nan 8.370 nan 0.000 0.467 197 R N 0.467 120.863 120.500 -0.173 0.000 2.604 197 R HA 0.701 5.042 4.340 0.001 0.000 0.281 197 R C 0.151 176.295 176.300 -0.260 0.000 1.020 197 R CA -0.822 55.192 56.100 -0.143 0.000 0.899 197 R CB 1.923 32.226 30.300 0.004 0.000 1.205 197 R HN 0.249 nan 8.270 nan 0.000 0.450 198 G N 0.738 109.400 108.800 -0.230 0.000 2.667 198 G HA2 0.494 4.454 3.960 0.001 0.000 0.310 198 G HA3 0.494 4.454 3.960 0.001 0.000 0.310 198 G C -0.702 174.064 174.900 -0.223 0.000 1.259 198 G CA -0.646 44.243 45.100 -0.351 0.000 1.019 198 G HN 0.429 nan 8.290 nan 0.000 0.496 199 Y N -1.281 119.027 120.300 0.014 0.000 2.709 199 Y HA 0.248 4.799 4.550 0.001 0.000 0.348 199 Y C 1.009 177.013 175.900 0.173 0.000 1.267 199 Y CA -0.695 57.469 58.100 0.107 0.000 1.486 199 Y CB 0.270 38.878 38.460 0.247 0.000 1.356 199 Y HN 0.177 nan 8.280 nan 0.000 0.639 200 L N 1.679 123.237 121.223 0.558 0.000 2.640 200 L HA 0.225 4.565 4.340 0.001 0.000 0.230 200 L C 0.185 177.275 176.870 0.367 0.000 1.123 200 L CA 0.510 55.589 54.840 0.398 0.000 0.900 200 L CB -0.139 42.108 42.059 0.314 0.000 1.146 200 L HN 0.802 nan 8.230 nan 0.000 0.484 201 S N -2.206 113.735 115.700 0.402 0.000 2.605 201 S HA 0.346 4.816 4.470 0.001 0.000 0.279 201 S C -2.572 171.889 174.600 -0.232 0.000 1.166 201 S CA -0.925 57.300 58.200 0.042 0.000 0.975 201 S CB 1.724 64.856 63.200 -0.113 0.000 1.111 201 S HN -0.236 nan 8.310 nan 0.000 0.465 202 P HA -0.036 nan 4.420 nan 0.000 0.231 202 P C 0.139 177.010 177.300 -0.715 0.000 1.154 202 P CA 0.900 63.535 63.100 -0.774 0.000 0.762 202 P CB -0.355 31.027 31.700 -0.530 0.000 0.790 203 Y N -2.712 117.330 120.300 -0.429 0.000 2.347 203 Y HA 0.019 4.570 4.550 0.001 0.000 0.294 203 Y C 2.012 177.745 175.900 -0.278 0.000 1.117 203 Y CA 0.540 58.431 58.100 -0.349 0.000 1.184 203 Y CB -1.129 37.108 38.460 -0.371 0.000 1.047 203 Y HN -0.140 nan 8.280 nan 0.000 0.546 204 F N 0.633 120.570 119.950 -0.022 0.000 2.141 204 F HA -0.253 4.274 4.527 0.001 0.000 0.300 204 F C 1.021 176.793 175.800 -0.047 0.000 1.079 204 F CA 0.445 58.432 58.000 -0.020 0.000 1.264 204 F CB -1.400 37.596 39.000 -0.007 0.000 1.011 204 F HN -0.130 nan 8.300 nan 0.000 0.487 205 I N 2.497 123.086 120.570 0.032 0.000 3.085 205 I HA -0.235 3.936 4.170 0.001 0.000 0.302 205 I C 1.060 177.196 176.117 0.032 0.000 1.234 205 I CA 0.598 61.897 61.300 -0.002 0.000 1.396 205 I CB -0.189 37.743 38.000 -0.114 0.000 1.385 205 I HN 0.256 nan 8.210 nan 0.000 0.533 206 N N 5.354 124.086 118.700 0.053 0.000 2.336 206 N HA 0.016 4.756 4.740 0.001 0.000 0.189 206 N C 0.027 175.555 175.510 0.029 0.000 1.113 206 N CA 0.117 53.193 53.050 0.043 0.000 0.858 206 N CB 0.387 38.904 38.487 0.050 0.000 0.970 206 N HN 0.486 nan 8.380 nan 0.000 0.471 207 K N 0.639 121.055 120.400 0.027 0.000 2.701 207 K HA 0.245 4.565 4.320 0.001 0.000 0.212 207 K C -2.183 174.427 176.600 0.016 0.000 1.035 207 K CA -1.763 54.536 56.287 0.021 0.000 1.048 207 K CB 2.077 34.591 32.500 0.023 0.000 1.234 207 K HN -0.025 nan 8.250 nan 0.000 0.540 208 P HA -0.152 nan 4.420 nan 0.000 0.228 208 P C 0.051 177.354 177.300 0.006 0.000 1.151 208 P CA 1.019 64.118 63.100 -0.001 0.000 0.770 208 P CB 0.475 32.170 31.700 -0.009 0.000 0.786 209 E N -0.269 119.937 120.200 0.009 0.000 2.107 209 E HA -0.079 4.271 4.350 0.001 0.000 0.191 209 E C 1.863 178.472 176.600 0.014 0.000 0.982 209 E CA 1.480 57.886 56.400 0.010 0.000 0.809 209 E CB -1.316 28.389 29.700 0.008 0.000 0.756 209 E HN 0.216 nan 8.360 nan 0.000 0.459 210 T N -0.923 113.643 114.554 0.020 0.000 3.043 210 T HA 0.150 4.500 4.350 0.001 0.000 0.263 210 T C 1.470 176.194 174.700 0.041 0.000 1.094 210 T CA 0.702 62.817 62.100 0.026 0.000 1.127 210 T CB -0.041 68.843 68.868 0.027 0.000 0.905 210 T HN 0.419 nan 8.240 nan 0.000 0.490 211 G N 1.414 110.242 108.800 0.047 0.000 2.147 211 G HA2 0.004 3.964 3.960 0.001 0.000 0.244 211 G HA3 0.004 3.964 3.960 0.001 0.000 0.244 211 G C 0.071 175.065 174.900 0.157 0.000 1.005 211 G CA 0.062 45.207 45.100 0.075 0.000 0.713 211 G HN 0.959 nan 8.290 nan 0.000 0.515 212 A N -1.280 121.613 122.820 0.123 0.000 2.469 212 A HA 0.907 5.227 4.320 0.001 0.000 0.299 212 A C -0.291 177.364 177.584 0.118 0.000 1.098 212 A CA -0.182 51.952 52.037 0.163 0.000 0.737 212 A CB 2.044 21.099 19.000 0.091 0.000 1.312 212 A HN 1.263 nan 8.150 nan 0.000 0.414 213 V N 0.964 120.963 119.914 0.141 0.000 2.427 213 V HA 0.523 4.644 4.120 0.001 0.000 0.286 213 V C 0.067 176.194 176.094 0.055 0.000 1.034 213 V CA -0.392 61.968 62.300 0.100 0.000 0.893 213 V CB 1.280 33.180 31.823 0.129 0.000 0.982 213 V HN 0.905 nan 8.190 nan 0.000 0.452 214 E N 4.334 124.559 120.200 0.041 0.000 2.218 214 E HA 0.664 5.014 4.350 0.001 0.000 0.263 214 E C -1.750 174.860 176.600 0.017 0.000 0.879 214 E CA -0.575 55.838 56.400 0.022 0.000 0.762 214 E CB 1.596 31.307 29.700 0.019 0.000 1.166 214 E HN 0.640 nan 8.360 nan 0.000 0.415 215 L N 3.274 124.500 121.223 0.006 0.000 2.386 215 L HA 0.526 4.866 4.340 0.001 0.000 0.271 215 L C -0.590 176.271 176.870 -0.015 0.000 0.993 215 L CA -0.833 54.006 54.840 -0.001 0.000 0.819 215 L CB 2.139 44.197 42.059 -0.002 0.000 1.294 215 L HN 0.471 nan 8.230 nan 0.000 0.414 216 E N 1.232 121.419 120.200 -0.022 0.000 2.176 216 E HA 0.389 4.739 4.350 0.001 0.000 0.267 216 E C -0.441 176.120 176.600 -0.064 0.000 0.893 216 E CA -0.645 55.733 56.400 -0.035 0.000 0.761 216 E CB 1.754 31.440 29.700 -0.024 0.000 1.133 216 E HN 0.620 nan 8.360 nan 0.000 0.409 217 S N 1.172 116.821 115.700 -0.085 0.000 3.682 217 S HA -0.124 4.346 4.470 0.001 0.000 0.354 217 S C -2.265 172.190 174.600 -0.241 0.000 1.034 217 S CA 0.411 58.524 58.200 -0.145 0.000 1.084 217 S CB -1.543 61.575 63.200 -0.136 0.000 0.903 217 S HN 0.477 nan 8.310 nan 0.000 0.470 218 P HA 0.622 nan 4.420 nan 0.000 0.282 218 P C 0.062 177.218 177.300 -0.240 0.000 1.259 218 P CA -0.706 62.285 63.100 -0.183 0.000 0.826 218 P CB 0.471 32.140 31.700 -0.052 0.000 1.064 219 F N 0.323 120.277 119.950 0.007 0.000 2.370 219 F HA 0.422 4.950 4.527 0.001 0.000 0.319 219 F C 0.859 176.662 175.800 0.006 0.000 1.129 219 F CA -0.020 57.984 58.000 0.006 0.000 1.109 219 F CB 0.349 39.352 39.000 0.006 0.000 1.262 219 F HN 0.043 nan 8.300 nan 0.000 0.534 220 I N 2.713 123.425 120.570 0.236 0.000 2.478 220 I HA 0.263 4.434 4.170 0.001 0.000 0.287 220 I C -1.338 174.836 176.117 0.095 0.000 1.042 220 I CA -0.684 60.691 61.300 0.126 0.000 1.067 220 I CB 1.845 39.895 38.000 0.085 0.000 1.233 220 I HN 0.275 nan 8.210 nan 0.000 0.431 221 L N 7.878 129.142 121.223 0.068 0.000 2.264 221 L HA 0.523 4.863 4.340 0.001 0.000 0.289 221 L C -1.037 175.851 176.870 0.030 0.000 1.044 221 L CA 0.055 54.918 54.840 0.039 0.000 0.807 221 L CB 0.783 42.860 42.059 0.029 0.000 1.192 221 L HN 0.495 nan 8.230 nan 0.000 0.425 222 L N 6.737 127.972 121.223 0.019 0.000 2.371 222 L HA 0.553 4.894 4.340 0.001 0.000 0.262 222 L C 0.098 176.972 176.870 0.007 0.000 1.054 222 L CA -0.492 54.354 54.840 0.010 0.000 0.924 222 L CB 0.876 42.934 42.059 -0.001 0.000 1.295 222 L HN 0.810 nan 8.230 nan 0.000 0.441 223 A N 1.323 124.151 122.820 0.013 0.000 2.279 223 A HA 0.248 4.569 4.320 0.001 0.000 0.306 223 A C -0.177 177.415 177.584 0.013 0.000 1.300 223 A CA -0.403 51.642 52.037 0.013 0.000 0.925 223 A CB 0.185 19.197 19.000 0.020 0.000 1.152 223 A HN 0.619 nan 8.150 nan 0.000 0.544 224 D N 2.827 123.231 120.400 0.007 0.000 2.517 224 D HA 0.429 5.069 4.640 0.001 0.000 0.220 224 D C -0.150 176.157 176.300 0.012 0.000 1.158 224 D CA 0.309 54.313 54.000 0.007 0.000 0.992 224 D CB -0.492 40.306 40.800 -0.002 0.000 1.058 224 D HN 0.664 nan 8.370 nan 0.000 0.516 225 K N 0.113 120.525 120.400 0.020 0.000 3.120 225 K HA 0.102 4.423 4.320 0.001 0.000 0.337 225 K C -1.247 175.371 176.600 0.029 0.000 1.147 225 K CA -1.117 55.184 56.287 0.023 0.000 0.901 225 K CB 0.232 32.743 32.500 0.018 0.000 1.386 225 K HN -0.115 nan 8.250 nan 0.000 0.391 226 K N 1.116 121.535 120.400 0.031 0.000 2.319 226 K HA 0.303 4.624 4.320 0.001 0.000 0.265 226 K C -0.282 176.338 176.600 0.034 0.000 1.000 226 K CA -0.167 56.141 56.287 0.036 0.000 0.943 226 K CB 0.397 32.918 32.500 0.035 0.000 0.950 226 K HN 0.409 nan 8.250 nan 0.000 0.485 227 I N 2.163 122.757 120.570 0.040 0.000 2.437 227 I HA 0.039 4.210 4.170 0.001 0.000 0.279 227 I C 0.290 176.431 176.117 0.040 0.000 1.028 227 I CA -0.044 61.279 61.300 0.039 0.000 1.142 227 I CB 1.647 39.674 38.000 0.045 0.000 1.266 227 I HN 0.628 nan 8.210 nan 0.000 0.461 228 S N 3.139 118.858 115.700 0.032 0.000 2.506 228 S HA 0.175 4.645 4.470 0.001 0.000 0.230 228 S C 0.791 175.407 174.600 0.026 0.000 1.066 228 S CA 0.095 58.313 58.200 0.030 0.000 0.940 228 S CB 0.210 63.425 63.200 0.025 0.000 0.818 228 S HN 0.554 nan 8.310 nan 0.000 0.518 229 N N 2.543 121.256 118.700 0.023 0.000 2.469 229 N HA 0.264 5.005 4.740 0.001 0.000 0.239 229 N C 0.634 176.156 175.510 0.019 0.000 1.053 229 N CA -0.057 53.004 53.050 0.019 0.000 0.937 229 N CB 1.002 39.498 38.487 0.014 0.000 1.163 229 N HN 0.206 nan 8.380 nan 0.000 0.509 230 I N 3.244 123.826 120.570 0.020 0.000 2.300 230 I HA -0.349 3.822 4.170 0.001 0.000 0.252 230 I C 1.720 177.846 176.117 0.015 0.000 1.119 230 I CA 1.447 62.759 61.300 0.021 0.000 1.384 230 I CB 0.224 38.235 38.000 0.019 0.000 1.062 230 I HN 0.465 nan 8.210 nan 0.000 0.426 231 R N 0.832 121.339 120.500 0.011 0.000 2.153 231 R HA -0.248 4.092 4.340 0.001 0.000 0.252 231 R C 1.816 178.120 176.300 0.007 0.000 1.158 231 R CA 2.038 58.143 56.100 0.008 0.000 0.975 231 R CB -0.753 29.551 30.300 0.006 0.000 0.871 231 R HN 0.562 nan 8.270 nan 0.000 0.450 232 E N 0.048 120.253 120.200 0.009 0.000 2.338 232 E HA -0.092 4.259 4.350 0.001 0.000 0.197 232 E C 1.779 178.383 176.600 0.007 0.000 1.007 232 E CA 0.686 57.091 56.400 0.008 0.000 0.849 232 E CB 0.055 29.762 29.700 0.011 0.000 0.774 232 E HN 0.309 nan 8.360 nan 0.000 0.506 233 M N -0.037 119.569 119.600 0.011 0.000 2.429 233 M HA 0.043 4.523 4.480 0.001 0.000 0.265 233 M C 2.242 178.545 176.300 0.004 0.000 1.120 233 M CA 0.701 56.007 55.300 0.011 0.000 1.173 233 M CB -0.732 31.881 32.600 0.021 0.000 1.343 233 M HN 0.119 nan 8.290 nan 0.000 0.464 234 L N 0.901 122.127 121.223 0.005 0.000 2.026 234 L HA -0.283 4.058 4.340 0.001 0.000 0.231 234 L C -0.314 176.553 176.870 -0.005 0.000 1.095 234 L CA 2.172 57.013 54.840 0.002 0.000 0.810 234 L CB -2.665 39.395 42.059 0.002 0.000 0.909 234 L HN 0.166 nan 8.230 nan 0.000 0.444 235 P HA -0.175 nan 4.420 nan 0.000 0.216 235 P C 1.863 179.147 177.300 -0.027 0.000 1.157 235 P CA 1.801 64.891 63.100 -0.017 0.000 0.880 235 P CB -0.087 31.603 31.700 -0.016 0.000 0.791 236 V N 0.342 120.239 119.914 -0.029 0.000 2.283 236 V HA -0.185 3.935 4.120 0.001 0.000 0.243 236 V C 2.842 178.911 176.094 -0.042 0.000 1.039 236 V CA 1.389 63.662 62.300 -0.046 0.000 1.016 236 V CB -1.403 30.396 31.823 -0.040 0.000 0.650 236 V HN -0.010 nan 8.190 nan 0.000 0.449 237 L N 0.007 121.220 121.223 -0.016 0.000 2.270 237 L HA -0.257 4.084 4.340 0.001 0.000 0.217 237 L C 2.516 179.384 176.870 -0.004 0.000 1.107 237 L CA 1.688 56.528 54.840 -0.001 0.000 0.772 237 L CB -0.520 41.546 42.059 0.013 0.000 0.902 237 L HN 0.520 nan 8.230 nan 0.000 0.439 238 E N -0.602 119.590 120.200 -0.014 0.000 2.216 238 E HA -0.025 4.325 4.350 0.001 0.000 0.192 238 E C 2.288 178.875 176.600 -0.022 0.000 0.973 238 E CA 0.740 57.133 56.400 -0.011 0.000 0.851 238 E CB -0.018 29.676 29.700 -0.010 0.000 0.804 238 E HN 0.453 nan 8.360 nan 0.000 0.477 239 A N 1.388 124.181 122.820 -0.045 0.000 1.969 239 A HA -0.102 4.219 4.320 0.001 0.000 0.218 239 A C 2.426 179.961 177.584 -0.083 0.000 1.169 239 A CA 0.904 52.900 52.037 -0.069 0.000 0.635 239 A CB -0.459 18.480 19.000 -0.102 0.000 0.810 239 A HN 0.098 nan 8.150 nan 0.000 0.445 240 V N -0.500 119.368 119.914 -0.077 0.000 2.667 240 V HA -0.118 4.002 4.120 0.001 0.000 0.252 240 V C 2.676 178.796 176.094 0.043 0.000 1.065 240 V CA 1.481 63.764 62.300 -0.029 0.000 1.083 240 V CB -1.027 30.797 31.823 0.000 0.000 0.692 240 V HN 0.552 nan 8.190 nan 0.000 0.468 241 A N -0.837 121.997 122.820 0.024 0.000 2.235 241 A HA 0.003 4.323 4.320 0.001 0.000 0.208 241 A C 2.188 179.790 177.584 0.030 0.000 1.172 241 A CA 0.832 52.888 52.037 0.032 0.000 0.786 241 A CB -0.221 18.791 19.000 0.022 0.000 0.804 241 A HN 0.510 nan 8.150 nan 0.000 0.479 242 K N -1.142 119.273 120.400 0.026 0.000 2.313 242 K HA 0.241 4.561 4.320 0.001 0.000 0.197 242 K C 1.892 178.521 176.600 0.049 0.000 1.061 242 K CA 0.707 57.010 56.287 0.027 0.000 0.980 242 K CB 0.189 32.695 32.500 0.009 0.000 0.888 242 K HN 0.345 nan 8.250 nan 0.000 0.502 243 A N 0.632 123.499 122.820 0.079 0.000 2.169 243 A HA 0.137 4.458 4.320 0.001 0.000 0.212 243 A C 1.425 179.095 177.584 0.144 0.000 1.153 243 A CA 1.007 53.132 52.037 0.147 0.000 0.756 243 A CB -0.443 18.728 19.000 0.285 0.000 0.813 243 A HN 0.393 nan 8.150 nan 0.000 0.471 244 G N -0.726 108.141 108.800 0.113 0.000 2.187 244 G HA2 -0.304 3.657 3.960 0.001 0.000 0.261 244 G HA3 -0.304 3.657 3.960 0.001 0.000 0.261 244 G C 0.210 175.162 174.900 0.086 0.000 1.000 244 G CA 1.015 46.165 45.100 0.083 0.000 0.718 244 G HN 0.607 nan 8.290 nan 0.000 0.519 245 K N 0.883 121.367 120.400 0.139 0.000 2.156 245 K HA 0.536 4.856 4.320 0.001 0.000 0.254 245 K C -1.913 174.761 176.600 0.124 0.000 0.950 245 K CA -2.039 54.299 56.287 0.084 0.000 0.849 245 K CB 1.967 34.444 32.500 -0.039 0.000 1.100 245 K HN 0.028 nan 8.250 nan 0.000 0.434 246 P HA 0.064 nan 4.420 nan 0.000 0.272 246 P C -1.214 176.154 177.300 0.114 0.000 1.254 246 P CA -0.459 62.685 63.100 0.074 0.000 0.795 246 P CB 0.510 32.230 31.700 0.034 0.000 1.022 247 L N 0.347 121.628 121.223 0.097 0.000 2.464 247 L HA 0.512 4.852 4.340 0.001 0.000 0.266 247 L C -1.716 175.183 176.870 0.048 0.000 0.965 247 L CA -1.079 53.829 54.840 0.114 0.000 0.833 247 L CB 1.612 43.748 42.059 0.129 0.000 1.296 247 L HN 0.134 nan 8.230 nan 0.000 0.405 248 L N 5.983 127.235 121.223 0.048 0.000 2.282 248 L HA 0.624 4.964 4.340 0.001 0.000 0.288 248 L C -1.089 175.794 176.870 0.020 0.000 1.033 248 L CA -0.200 54.645 54.840 0.008 0.000 0.807 248 L CB 1.129 43.200 42.059 0.020 0.000 1.209 248 L HN 0.469 nan 8.230 nan 0.000 0.423 249 I N 7.351 127.914 120.570 -0.011 0.000 2.306 249 I HA 0.269 4.440 4.170 0.001 0.000 0.288 249 I C -0.173 175.957 176.117 0.022 0.000 1.036 249 I CA -0.207 61.099 61.300 0.011 0.000 1.221 249 I CB 0.741 38.747 38.000 0.009 0.000 1.385 249 I HN 0.549 nan 8.210 nan 0.000 0.472 250 I N 5.880 126.476 120.570 0.044 0.000 2.310 250 I HA 0.434 4.605 4.170 0.001 0.000 0.287 250 I C 0.646 176.790 176.117 0.046 0.000 1.073 250 I CA -0.086 61.253 61.300 0.065 0.000 1.216 250 I CB 0.901 38.950 38.000 0.082 0.000 1.415 250 I HN 0.607 nan 8.210 nan 0.000 0.480 251 A N 4.384 127.235 122.820 0.051 0.000 2.288 251 A HA 0.385 4.705 4.320 0.001 0.000 0.328 251 A C 1.189 178.805 177.584 0.052 0.000 1.123 251 A CA -0.534 51.529 52.037 0.045 0.000 0.861 251 A CB 0.910 19.938 19.000 0.046 0.000 1.272 251 A HN 0.748 nan 8.150 nan 0.000 0.490 252 E N -0.615 119.612 120.200 0.045 0.000 2.160 252 E HA -0.164 4.187 4.350 0.001 0.000 0.195 252 E C -0.398 176.239 176.600 0.061 0.000 0.991 252 E CA 1.659 58.090 56.400 0.052 0.000 0.810 252 E CB 0.124 29.851 29.700 0.045 0.000 0.742 252 E HN 0.638 nan 8.360 nan 0.000 0.466 253 D N -2.138 118.298 120.400 0.060 0.000 2.766 253 D HA 0.121 4.761 4.640 0.001 0.000 0.244 253 D C -1.928 174.413 176.300 0.068 0.000 1.198 253 D CA -0.513 53.527 54.000 0.066 0.000 0.739 253 D CB 1.936 42.772 40.800 0.060 0.000 1.379 253 D HN -0.130 nan 8.370 nan 0.000 0.437 254 V N 2.660 122.624 119.914 0.083 0.000 2.305 254 V HA 0.414 4.534 4.120 0.001 0.000 0.275 254 V C 0.487 176.636 176.094 0.091 0.000 1.020 254 V CA -0.672 61.682 62.300 0.090 0.000 0.811 254 V CB 0.961 32.854 31.823 0.117 0.000 1.031 254 V HN 0.424 nan 8.190 nan 0.000 0.439 255 E N 2.440 122.682 120.200 0.070 0.000 2.622 255 E HA 0.375 4.726 4.350 0.001 0.000 0.255 255 E C 1.575 178.209 176.600 0.056 0.000 1.313 255 E CA 0.144 56.580 56.400 0.059 0.000 1.011 255 E CB 0.564 30.291 29.700 0.045 0.000 1.173 255 E HN 0.601 nan 8.360 nan 0.000 0.601 256 G N 0.793 109.619 108.800 0.044 0.000 2.855 256 G HA2 -0.403 3.558 3.960 0.001 0.000 0.227 256 G HA3 -0.403 3.558 3.960 0.001 0.000 0.227 256 G C 1.288 176.207 174.900 0.031 0.000 1.245 256 G CA 1.305 46.426 45.100 0.035 0.000 0.781 256 G HN 0.550 nan 8.290 nan 0.000 0.666 257 E N 0.801 121.017 120.200 0.027 0.000 2.013 257 E HA -0.197 4.154 4.350 0.001 0.000 0.202 257 E C 3.041 179.657 176.600 0.027 0.000 1.018 257 E CA 1.619 58.032 56.400 0.022 0.000 0.834 257 E CB -0.730 28.982 29.700 0.019 0.000 0.770 257 E HN 0.306 nan 8.360 nan 0.000 0.459 258 A N 1.269 124.112 122.820 0.037 0.000 1.865 258 A HA -0.213 4.107 4.320 0.001 0.000 0.217 258 A C 2.320 179.942 177.584 0.063 0.000 1.191 258 A CA 1.784 53.849 52.037 0.047 0.000 0.623 258 A CB -0.965 18.066 19.000 0.051 0.000 0.826 258 A HN 0.339 nan 8.150 nan 0.000 0.444 259 L N -0.136 121.134 121.223 0.079 0.000 1.951 259 L HA -0.226 4.114 4.340 0.001 0.000 0.222 259 L C 2.797 179.699 176.870 0.054 0.000 1.078 259 L CA 2.739 57.643 54.840 0.106 0.000 0.778 259 L CB -1.143 40.984 42.059 0.112 0.000 0.893 259 L HN 0.432 nan 8.230 nan 0.000 0.436 260 A N -1.841 120.991 122.820 0.021 0.000 1.954 260 A HA -0.351 3.970 4.320 0.001 0.000 0.222 260 A C 2.216 179.782 177.584 -0.030 0.000 1.199 260 A CA 3.033 55.057 52.037 -0.021 0.000 0.657 260 A CB -1.516 17.474 19.000 -0.016 0.000 0.823 260 A HN 0.657 nan 8.150 nan 0.000 0.463 261 T N 0.172 114.726 114.554 0.000 0.000 2.639 261 T HA -0.090 4.261 4.350 0.001 0.000 0.261 261 T C 1.852 176.562 174.700 0.016 0.000 1.053 261 T CA 1.314 63.416 62.100 0.003 0.000 1.158 261 T CB -0.579 68.298 68.868 0.016 0.000 0.863 261 T HN 0.352 nan 8.240 nan 0.000 0.413 262 L N 0.913 122.171 121.223 0.059 0.000 2.030 262 L HA -0.246 4.094 4.340 0.001 0.000 0.222 262 L C 2.693 179.609 176.870 0.077 0.000 1.082 262 L CA 1.457 56.363 54.840 0.110 0.000 0.785 262 L CB -1.023 41.162 42.059 0.210 0.000 0.895 262 L HN 0.162 nan 8.230 nan 0.000 0.439 263 V N -0.690 119.219 119.914 -0.009 0.000 2.220 263 V HA -0.351 3.769 4.120 0.001 0.000 0.250 263 V C 2.375 178.387 176.094 -0.136 0.000 1.056 263 V CA 2.196 64.397 62.300 -0.166 0.000 1.016 263 V CB -0.752 30.916 31.823 -0.258 0.000 0.639 263 V HN 0.281 nan 8.190 nan 0.000 0.446 264 V N 0.622 120.466 119.914 -0.116 0.000 2.317 264 V HA -0.343 3.777 4.120 0.001 0.000 0.251 264 V C 2.184 178.244 176.094 -0.057 0.000 1.065 264 V CA 2.528 64.768 62.300 -0.101 0.000 1.049 264 V CB -1.045 30.734 31.823 -0.073 0.000 0.651 264 V HN 0.619 nan 8.190 nan 0.000 0.450 265 N N 0.356 119.045 118.700 -0.020 0.000 2.109 265 N HA -0.138 4.602 4.740 0.001 0.000 0.188 265 N C 2.061 177.583 175.510 0.021 0.000 1.034 265 N CA 2.018 55.073 53.050 0.007 0.000 0.846 265 N CB -0.298 38.206 38.487 0.028 0.000 1.010 265 N HN 0.694 nan 8.380 nan 0.000 0.425 266 T N 0.006 114.588 114.554 0.046 0.000 2.788 266 T HA -0.157 4.193 4.350 0.001 0.000 0.268 266 T C 1.988 176.709 174.700 0.034 0.000 1.044 266 T CA 0.911 63.055 62.100 0.073 0.000 1.139 266 T CB -0.257 68.708 68.868 0.161 0.000 0.867 266 T HN -0.002 nan 8.240 nan 0.000 0.454 267 M N 1.474 121.066 119.600 -0.014 0.000 2.065 267 M HA 0.044 4.524 4.480 0.001 0.000 0.259 267 M C 2.123 178.409 176.300 -0.024 0.000 1.069 267 M CA 1.581 56.856 55.300 -0.042 0.000 1.110 267 M CB -0.387 32.145 32.600 -0.112 0.000 1.328 267 M HN 0.054 nan 8.290 nan 0.000 0.405 268 R N -0.066 120.420 120.500 -0.023 0.000 2.391 268 R HA 0.164 4.504 4.340 0.001 0.000 0.225 268 R C 0.777 177.077 176.300 -0.000 0.000 1.079 268 R CA 0.531 56.621 56.100 -0.015 0.000 1.147 268 R CB -0.950 29.339 30.300 -0.019 0.000 1.103 268 R HN 0.724 nan 8.270 nan 0.000 0.499 269 G N 1.152 109.958 108.800 0.009 0.000 2.258 269 G HA2 -0.298 3.662 3.960 0.001 0.000 0.274 269 G HA3 -0.298 3.662 3.960 0.001 0.000 0.274 269 G C 0.695 175.608 174.900 0.021 0.000 1.021 269 G CA 0.449 45.560 45.100 0.018 0.000 0.798 269 G HN 0.373 nan 8.290 nan 0.000 0.507 270 I N -1.207 119.376 120.570 0.021 0.000 2.130 270 I HA 0.050 4.221 4.170 0.001 0.000 0.234 270 I C 1.116 177.253 176.117 0.033 0.000 1.067 270 I CA 1.396 62.710 61.300 0.023 0.000 1.339 270 I CB -0.161 37.850 38.000 0.019 0.000 1.073 270 I HN 0.094 nan 8.210 nan 0.000 0.405 271 V N 0.551 120.491 119.914 0.043 0.000 2.686 271 V HA 0.266 4.387 4.120 0.001 0.000 0.306 271 V C -0.751 175.384 176.094 0.068 0.000 1.065 271 V CA -1.071 61.261 62.300 0.054 0.000 0.894 271 V CB 1.814 33.670 31.823 0.055 0.000 1.004 271 V HN 0.085 nan 8.190 nan 0.000 0.424 272 K N 2.810 123.252 120.400 0.070 0.000 2.349 272 K HA 0.630 4.951 4.320 0.001 0.000 0.288 272 K C -0.800 175.852 176.600 0.087 0.000 1.058 272 K CA 0.121 56.457 56.287 0.081 0.000 0.953 272 K CB 1.027 33.566 32.500 0.065 0.000 0.997 272 K HN 0.499 nan 8.250 nan 0.000 0.477 273 V N 1.667 121.649 119.914 0.114 0.000 2.808 273 V HA 0.765 4.886 4.120 0.001 0.000 0.308 273 V C -0.910 175.195 176.094 0.018 0.000 1.099 273 V CA -1.136 61.213 62.300 0.081 0.000 0.920 273 V CB 1.991 33.878 31.823 0.106 0.000 1.014 273 V HN 0.795 nan 8.190 nan 0.000 0.425 274 A N 2.749 125.436 122.820 -0.222 0.000 2.413 274 A HA 1.060 5.381 4.320 0.001 0.000 0.307 274 A C -0.488 176.720 177.584 -0.627 0.000 1.087 274 A CA -0.250 51.323 52.037 -0.772 0.000 0.750 274 A CB 2.020 20.735 19.000 -0.475 0.000 1.296 274 A HN 1.801 nan 8.150 nan 0.000 0.423 275 A N 0.414 122.691 122.820 -0.905 0.000 2.449 275 A HA 0.810 5.130 4.320 0.001 0.000 0.302 275 A C -0.754 176.742 177.584 -0.147 0.000 1.048 275 A CA -0.121 51.735 52.037 -0.302 0.000 0.708 275 A CB 1.423 20.378 19.000 -0.075 0.000 1.274 275 A HN 2.265 nan 8.150 nan 0.000 0.410 276 V N -0.745 119.155 119.914 -0.023 0.000 2.932 276 V HA 0.573 4.694 4.120 0.001 0.000 0.307 276 V C -0.467 175.683 176.094 0.093 0.000 1.147 276 V CA -1.269 61.052 62.300 0.035 0.000 0.951 276 V CB 1.297 33.125 31.823 0.008 0.000 1.031 276 V HN 0.899 nan 8.190 nan 0.000 0.426 277 K N 1.966 122.426 120.400 0.100 0.000 2.440 277 K HA 0.565 4.886 4.320 0.001 0.000 0.270 277 K C 0.545 177.250 176.600 0.176 0.000 0.980 277 K CA 0.523 56.880 56.287 0.116 0.000 0.953 277 K CB 0.797 33.355 32.500 0.098 0.000 0.925 277 K HN 1.138 nan 8.250 nan 0.000 0.497 278 A N 3.711 126.610 122.820 0.131 0.000 2.371 278 A HA 0.281 4.602 4.320 0.001 0.000 0.257 278 A C -2.155 175.500 177.584 0.119 0.000 1.089 278 A CA -1.336 50.761 52.037 0.099 0.000 0.794 278 A CB -0.157 18.864 19.000 0.035 0.000 1.029 278 A HN 0.456 nan 8.150 nan 0.000 0.488 279 P HA 0.385 nan 4.420 nan 0.000 0.276 279 P C 0.752 178.098 177.300 0.076 0.000 1.235 279 P CA 1.511 64.673 63.100 0.104 0.000 0.772 279 P CB 0.672 32.336 31.700 -0.060 0.000 0.871 280 G N 3.073 111.956 108.800 0.139 0.000 2.553 280 G HA2 -0.066 3.895 3.960 0.001 0.000 0.242 280 G HA3 -0.066 3.895 3.960 0.001 0.000 0.242 280 G C -0.719 174.355 174.900 0.290 0.000 1.277 280 G CA 0.170 45.382 45.100 0.187 0.000 0.910 280 G HN 0.752 nan 8.290 nan 0.000 0.576 281 F N -2.875 117.090 119.950 0.026 0.000 3.052 281 F HA 0.741 5.269 4.527 0.001 0.000 0.323 281 F C 1.076 176.888 175.800 0.021 0.000 1.178 281 F CA 0.751 58.765 58.000 0.023 0.000 0.892 281 F CB 0.667 39.684 39.000 0.029 0.000 1.416 281 F HN 2.546 nan 8.300 nan 0.000 0.488 282 G N 1.115 109.784 108.800 -0.219 0.000 2.556 282 G HA2 -0.282 3.679 3.960 0.001 0.000 0.283 282 G HA3 -0.282 3.679 3.960 0.001 0.000 0.283 282 G C 0.328 175.118 174.900 -0.183 0.000 1.177 282 G CA 0.650 45.561 45.100 -0.314 0.000 0.978 282 G HN 0.928 nan 8.290 nan 0.000 0.554 283 D N 1.064 121.342 120.400 -0.202 0.000 2.106 283 D HA -0.054 4.586 4.640 0.001 0.000 0.203 283 D C 2.623 178.851 176.300 -0.121 0.000 0.977 283 D CA 1.497 55.422 54.000 -0.125 0.000 0.844 283 D CB -0.130 40.607 40.800 -0.106 0.000 1.002 283 D HN 0.607 nan 8.370 nan 0.000 0.461 284 R N 1.558 121.966 120.500 -0.154 0.000 2.117 284 R HA -0.145 4.196 4.340 0.001 0.000 0.243 284 R C 2.288 178.525 176.300 -0.105 0.000 1.143 284 R CA 1.128 57.151 56.100 -0.127 0.000 0.968 284 R CB -0.640 29.577 30.300 -0.138 0.000 0.863 284 R HN 0.082 nan 8.270 nan 0.000 0.444 285 R N 1.810 122.250 120.500 -0.099 0.000 2.136 285 R HA -0.237 4.104 4.340 0.001 0.000 0.242 285 R C 1.714 177.976 176.300 -0.063 0.000 1.131 285 R CA 2.529 58.594 56.100 -0.059 0.000 0.937 285 R CB -0.193 30.099 30.300 -0.014 0.000 0.863 285 R HN 0.363 nan 8.270 nan 0.000 0.435 286 K N -0.203 120.164 120.400 -0.055 0.000 2.063 286 K HA -0.106 4.214 4.320 0.001 0.000 0.208 286 K C 2.182 178.747 176.600 -0.058 0.000 1.048 286 K CA 1.549 57.807 56.287 -0.048 0.000 0.928 286 K CB -0.210 32.267 32.500 -0.038 0.000 0.713 286 K HN 0.305 nan 8.250 nan 0.000 0.442 287 A N 1.166 123.946 122.820 -0.067 0.000 1.930 287 A HA -0.087 4.234 4.320 0.001 0.000 0.217 287 A C 2.144 179.678 177.584 -0.082 0.000 1.175 287 A CA 1.254 53.249 52.037 -0.068 0.000 0.627 287 A CB -0.378 18.580 19.000 -0.069 0.000 0.815 287 A HN 0.175 nan 8.150 nan 0.000 0.443 288 M N -1.110 118.432 119.600 -0.098 0.000 2.200 288 M HA -0.033 4.448 4.480 0.001 0.000 0.265 288 M C 2.215 178.421 176.300 -0.158 0.000 1.066 288 M CA 1.171 56.394 55.300 -0.128 0.000 1.127 288 M CB -0.299 32.218 32.600 -0.138 0.000 1.379 288 M HN 0.490 nan 8.290 nan 0.000 0.420 289 L N 0.199 121.340 121.223 -0.137 0.000 2.042 289 L HA -0.282 4.059 4.340 0.001 0.000 0.210 289 L C 2.599 179.410 176.870 -0.099 0.000 1.076 289 L CA 1.554 56.316 54.840 -0.130 0.000 0.749 289 L CB -0.305 41.703 42.059 -0.084 0.000 0.893 289 L HN 0.301 nan 8.230 nan 0.000 0.432 290 Q N 0.131 119.884 119.800 -0.078 0.000 2.096 290 Q HA -0.256 4.084 4.340 0.001 0.000 0.204 290 Q C 1.699 177.662 176.000 -0.061 0.000 0.982 290 Q CA 2.216 57.984 55.803 -0.059 0.000 0.850 290 Q CB -0.347 28.362 28.738 -0.050 0.000 0.901 290 Q HN 0.481 nan 8.270 nan 0.000 0.422 291 D N -0.150 120.205 120.400 -0.076 0.000 2.149 291 D HA -0.155 4.486 4.640 0.001 0.000 0.198 291 D C 1.916 178.173 176.300 -0.072 0.000 0.990 291 D CA 1.410 55.367 54.000 -0.072 0.000 0.839 291 D CB -0.200 40.550 40.800 -0.084 0.000 0.948 291 D HN 0.405 nan 8.370 nan 0.000 0.460 292 I N 1.248 121.757 120.570 -0.101 0.000 2.286 292 I HA -0.249 3.921 4.170 0.001 0.000 0.248 292 I C 2.529 178.617 176.117 -0.048 0.000 1.115 292 I CA 0.883 62.125 61.300 -0.096 0.000 1.392 292 I CB -0.203 37.701 38.000 -0.161 0.000 1.065 292 I HN -0.080 nan 8.210 nan 0.000 0.418 293 A N 0.772 123.566 122.820 -0.043 0.000 1.865 293 A HA -0.229 4.092 4.320 0.001 0.000 0.217 293 A C 2.413 179.989 177.584 -0.014 0.000 1.191 293 A CA 2.637 54.662 52.037 -0.021 0.000 0.623 293 A CB -1.247 17.740 19.000 -0.022 0.000 0.826 293 A HN 0.398 nan 8.150 nan 0.000 0.444 294 T N 0.652 115.194 114.554 -0.021 0.000 2.635 294 T HA -0.183 4.168 4.350 0.001 0.000 0.267 294 T C 1.833 176.527 174.700 -0.011 0.000 1.040 294 T CA 1.442 63.532 62.100 -0.016 0.000 1.156 294 T CB -0.477 68.378 68.868 -0.022 0.000 0.863 294 T HN 0.248 nan 8.240 nan 0.000 0.430 295 L N 1.837 123.051 121.223 -0.015 0.000 2.079 295 L HA -0.101 4.240 4.340 0.001 0.000 0.210 295 L C 2.332 179.202 176.870 0.000 0.000 1.081 295 L CA 2.427 57.263 54.840 -0.008 0.000 0.752 295 L CB -1.479 40.575 42.059 -0.009 0.000 0.896 295 L HN 0.541 nan 8.230 nan 0.000 0.433 296 T N -4.455 110.101 114.554 0.004 0.000 3.069 296 T HA 0.277 4.627 4.350 0.001 0.000 0.252 296 T C 1.242 175.956 174.700 0.023 0.000 1.053 296 T CA 0.366 62.474 62.100 0.014 0.000 0.964 296 T CB 0.021 68.902 68.868 0.022 0.000 1.005 296 T HN 0.491 nan 8.240 nan 0.000 0.532 297 G N 0.663 109.473 108.800 0.016 0.000 2.273 297 G HA2 0.049 4.010 3.960 0.001 0.000 0.280 297 G HA3 0.049 4.010 3.960 0.001 0.000 0.280 297 G C 0.310 175.228 174.900 0.030 0.000 1.047 297 G CA -0.118 44.995 45.100 0.020 0.000 0.869 297 G HN 1.045 nan 8.290 nan 0.000 0.502 298 G N -1.767 107.048 108.800 0.025 0.000 2.735 298 G HA2 0.793 4.753 3.960 0.001 0.000 0.301 298 G HA3 0.793 4.753 3.960 0.001 0.000 0.301 298 G C -0.457 174.449 174.900 0.011 0.000 1.279 298 G CA 0.102 45.219 45.100 0.027 0.000 1.019 298 G HN 0.583 nan 8.290 nan 0.000 0.497 299 T N 0.353 114.911 114.554 0.007 0.000 2.797 299 T HA 0.436 4.786 4.350 0.001 0.000 0.279 299 T C 0.190 174.887 174.700 -0.004 0.000 0.991 299 T CA -0.276 61.823 62.100 -0.001 0.000 0.979 299 T CB 1.674 70.540 68.868 -0.003 0.000 0.943 299 T HN 0.356 nan 8.240 nan 0.000 0.444 300 V N 4.464 124.372 119.914 -0.010 0.000 2.585 300 V HA 0.188 4.309 4.120 0.001 0.000 0.296 300 V C 0.275 176.364 176.094 -0.009 0.000 1.035 300 V CA 0.024 62.316 62.300 -0.012 0.000 1.084 300 V CB 0.063 31.875 31.823 -0.018 0.000 0.953 300 V HN 0.750 nan 8.190 nan 0.000 0.483 301 I N 5.319 125.886 120.570 -0.006 0.000 2.428 301 I HA 0.319 4.490 4.170 0.001 0.000 0.279 301 I C 0.279 176.395 176.117 -0.002 0.000 1.040 301 I CA 0.136 61.434 61.300 -0.004 0.000 1.171 301 I CB 0.992 38.990 38.000 -0.003 0.000 1.312 301 I HN 0.746 nan 8.210 nan 0.000 0.470 302 S N 2.523 118.221 115.700 -0.004 0.000 2.607 302 S HA 0.465 4.936 4.470 0.001 0.000 0.303 302 S C 0.424 175.023 174.600 -0.001 0.000 1.086 302 S CA -0.831 57.368 58.200 -0.002 0.000 0.995 302 S CB 1.971 65.168 63.200 -0.005 0.000 1.084 302 S HN 0.558 nan 8.310 nan 0.000 0.507 303 E N 0.469 120.670 120.200 0.002 0.000 2.442 303 E HA -0.013 4.338 4.350 0.001 0.000 0.195 303 E C 0.923 177.524 176.600 0.001 0.000 1.030 303 E CA 0.398 56.799 56.400 0.002 0.000 0.869 303 E CB -0.060 29.643 29.700 0.005 0.000 0.857 303 E HN 0.783 nan 8.360 nan 0.000 0.505 304 E N 0.571 120.771 120.200 -0.000 0.000 2.418 304 E HA -0.049 4.301 4.350 0.001 0.000 0.197 304 E C 1.172 177.770 176.600 -0.003 0.000 1.026 304 E CA 0.576 56.975 56.400 -0.002 0.000 0.862 304 E CB 0.090 29.788 29.700 -0.003 0.000 0.799 304 E HN 0.358 nan 8.360 nan 0.000 0.518 305 I N -0.174 120.394 120.570 -0.004 0.000 3.941 305 I HA 0.211 4.381 4.170 0.001 0.000 0.335 305 I C 0.826 176.941 176.117 -0.004 0.000 1.402 305 I CA -0.202 61.095 61.300 -0.005 0.000 1.112 305 I CB 0.525 38.521 38.000 -0.006 0.000 1.043 305 I HN 0.044 nan 8.210 nan 0.000 0.395 306 G N 2.236 111.034 108.800 -0.002 0.000 2.298 306 G HA2 -0.266 3.695 3.960 0.001 0.000 0.287 306 G HA3 -0.266 3.695 3.960 0.001 0.000 0.287 306 G C -0.072 174.826 174.900 -0.003 0.000 1.075 306 G CA 0.076 45.175 45.100 -0.002 0.000 0.960 306 G HN 0.342 nan 8.290 nan 0.000 0.502 307 M N -0.504 119.095 119.600 -0.003 0.000 2.578 307 M HA 0.637 5.118 4.480 0.001 0.000 0.321 307 M C 0.097 176.396 176.300 -0.002 0.000 1.182 307 M CA -0.585 54.713 55.300 -0.003 0.000 0.965 307 M CB 1.862 34.460 32.600 -0.005 0.000 1.694 307 M HN 0.268 nan 8.290 nan 0.000 0.461 308 E N 1.157 121.355 120.200 -0.003 0.000 2.277 308 E HA 0.365 4.716 4.350 0.001 0.000 0.266 308 E C 0.140 176.738 176.600 -0.003 0.000 0.901 308 E CA -0.711 55.688 56.400 -0.001 0.000 0.782 308 E CB 2.099 31.799 29.700 -0.001 0.000 1.228 308 E HN 0.610 nan 8.360 nan 0.000 0.424 309 L N 0.981 122.204 121.223 -0.001 0.000 2.187 309 L HA -0.210 4.131 4.340 0.001 0.000 0.213 309 L C 1.624 178.490 176.870 -0.007 0.000 1.100 309 L CA 1.210 56.049 54.840 -0.003 0.000 0.765 309 L CB -0.398 41.662 42.059 0.002 0.000 0.904 309 L HN 0.589 nan 8.230 nan 0.000 0.437 310 E N 0.550 120.747 120.200 -0.006 0.000 2.072 310 E HA -0.131 4.219 4.350 0.001 0.000 0.191 310 E C 1.001 177.593 176.600 -0.013 0.000 0.985 310 E CA 1.036 57.431 56.400 -0.008 0.000 0.801 310 E CB 0.005 29.701 29.700 -0.006 0.000 0.750 310 E HN 0.301 nan 8.360 nan 0.000 0.452 311 K N 0.471 120.864 120.400 -0.012 0.000 3.165 311 K HA 0.399 4.720 4.320 0.001 0.000 0.259 311 K C -0.930 175.659 176.600 -0.018 0.000 1.282 311 K CA -0.225 56.053 56.287 -0.015 0.000 1.259 311 K CB 0.784 33.278 32.500 -0.011 0.000 1.546 311 K HN -0.027 nan 8.250 nan 0.000 0.384 312 A N 1.358 124.164 122.820 -0.024 0.000 2.340 312 A HA 0.313 4.634 4.320 0.001 0.000 0.297 312 A C 0.157 177.711 177.584 -0.049 0.000 1.195 312 A CA -0.720 51.298 52.037 -0.032 0.000 0.769 312 A CB 0.522 19.505 19.000 -0.028 0.000 1.163 312 A HN 0.327 nan 8.150 nan 0.000 0.472 313 T N 0.089 114.610 114.554 -0.054 0.000 2.862 313 T HA 0.478 4.829 4.350 0.001 0.000 0.276 313 T C 1.315 175.946 174.700 -0.116 0.000 0.974 313 T CA -0.631 61.422 62.100 -0.077 0.000 0.966 313 T CB 0.372 69.204 68.868 -0.060 0.000 1.072 313 T HN 0.348 nan 8.240 nan 0.000 0.538 314 L N -0.014 121.104 121.223 -0.174 0.000 2.189 314 L HA -0.122 4.218 4.340 0.001 0.000 0.214 314 L C 2.934 179.692 176.870 -0.187 0.000 1.097 314 L CA 1.698 56.356 54.840 -0.304 0.000 0.764 314 L CB -0.554 41.276 42.059 -0.382 0.000 0.900 314 L HN 0.858 nan 8.230 nan 0.000 0.436 315 E N -0.110 120.036 120.200 -0.089 0.000 2.347 315 E HA -0.184 4.167 4.350 0.001 0.000 0.196 315 E C 1.076 177.668 176.600 -0.013 0.000 1.008 315 E CA 0.731 57.114 56.400 -0.027 0.000 0.852 315 E CB 0.176 29.866 29.700 -0.016 0.000 0.783 315 E HN 0.547 nan 8.360 nan 0.000 0.505 316 D N 0.174 120.556 120.400 -0.030 0.000 2.347 316 D HA -0.030 4.610 4.640 0.001 0.000 0.213 316 D C 0.082 176.382 176.300 0.001 0.000 0.985 316 D CA 0.244 54.235 54.000 -0.014 0.000 0.879 316 D CB 0.349 41.136 40.800 -0.021 0.000 0.919 316 D HN 0.132 nan 8.370 nan 0.000 0.526 317 L N 1.031 122.254 121.223 0.001 0.000 2.350 317 L HA 0.331 4.671 4.340 0.001 0.000 0.275 317 L C 1.342 178.285 176.870 0.123 0.000 1.099 317 L CA -0.249 54.621 54.840 0.051 0.000 0.808 317 L CB 1.368 43.442 42.059 0.024 0.000 1.149 317 L HN -0.155 nan 8.230 nan 0.000 0.442 318 G N 1.623 110.490 108.800 0.112 0.000 2.684 318 G HA2 0.382 4.343 3.960 0.001 0.000 0.255 318 G HA3 0.382 4.343 3.960 0.001 0.000 0.255 318 G C -0.808 174.183 174.900 0.152 0.000 1.219 318 G CA -0.171 44.991 45.100 0.103 0.000 0.901 318 G HN 0.594 nan 8.290 nan 0.000 0.548 319 Q N -1.600 118.246 119.800 0.076 0.000 2.377 319 Q HA 0.596 4.936 4.340 0.001 0.000 0.279 319 Q C -0.787 175.198 176.000 -0.024 0.000 1.049 319 Q CA -0.688 55.117 55.803 0.002 0.000 0.825 319 Q CB 2.099 30.814 28.738 -0.040 0.000 1.401 319 Q HN 0.948 nan 8.270 nan 0.000 0.404 320 A N 1.981 124.767 122.820 -0.057 0.000 2.524 320 A HA 0.547 4.867 4.320 0.001 0.000 0.286 320 A C -0.564 176.980 177.584 -0.065 0.000 1.203 320 A CA -0.541 51.471 52.037 -0.041 0.000 0.736 320 A CB 1.491 20.482 19.000 -0.015 0.000 1.322 320 A HN 0.783 nan 8.150 nan 0.000 0.424 321 K N -0.792 119.582 120.400 -0.044 0.000 2.284 321 K HA 0.190 4.510 4.320 0.001 0.000 0.198 321 K C 0.325 176.902 176.600 -0.039 0.000 1.048 321 K CA 0.788 57.048 56.287 -0.046 0.000 0.987 321 K CB 0.316 32.796 32.500 -0.032 0.000 0.800 321 K HN 0.516 nan 8.250 nan 0.000 0.486 322 R N 0.029 120.513 120.500 -0.026 0.000 2.629 322 R HA 0.255 4.596 4.340 0.001 0.000 0.266 322 R C -1.757 174.537 176.300 -0.009 0.000 1.051 322 R CA -0.580 55.509 56.100 -0.019 0.000 0.895 322 R CB 2.357 32.649 30.300 -0.013 0.000 1.246 322 R HN -0.079 nan 8.270 nan 0.000 0.459 323 V N -0.723 119.187 119.914 -0.008 0.000 2.925 323 V HA 0.856 4.977 4.120 0.001 0.000 0.311 323 V C -1.182 174.907 176.094 -0.009 0.000 1.104 323 V CA -0.716 61.582 62.300 -0.003 0.000 0.954 323 V CB 2.271 34.096 31.823 0.003 0.000 1.022 323 V HN 0.414 nan 8.190 nan 0.000 0.427 324 V N 4.687 124.590 119.914 -0.019 0.000 2.686 324 V HA 0.659 4.780 4.120 0.001 0.000 0.306 324 V C -0.477 175.586 176.094 -0.052 0.000 1.065 324 V CA -0.313 61.974 62.300 -0.022 0.000 0.894 324 V CB 1.766 33.577 31.823 -0.019 0.000 1.004 324 V HN 1.157 nan 8.190 nan 0.000 0.424 325 I N 1.295 121.849 120.570 -0.026 0.000 2.499 325 I HA 0.678 4.849 4.170 0.001 0.000 0.288 325 I C -0.676 175.433 176.117 -0.014 0.000 1.048 325 I CA -0.405 60.859 61.300 -0.060 0.000 1.062 325 I CB 2.076 40.040 38.000 -0.060 0.000 1.238 325 I HN 0.470 nan 8.210 nan 0.000 0.426 326 N N 5.001 123.626 118.700 -0.125 0.000 2.566 326 N HA 0.216 4.956 4.740 0.001 0.000 0.299 326 N C 0.682 175.916 175.510 -0.460 0.000 1.277 326 N CA -0.678 52.292 53.050 -0.133 0.000 0.965 326 N CB 0.870 39.288 38.487 -0.115 0.000 1.142 326 N HN 0.695 nan 8.380 nan 0.000 0.596 327 K N 0.179 120.333 120.400 -0.409 0.000 2.189 327 K HA -0.218 4.103 4.320 0.001 0.000 0.207 327 K C -0.485 175.794 176.600 -0.535 0.000 1.046 327 K CA 2.353 58.290 56.287 -0.582 0.000 0.928 327 K CB -0.049 32.347 32.500 -0.174 0.000 0.720 327 K HN 0.640 nan 8.250 nan 0.000 0.458 328 D N -2.238 117.954 120.400 -0.347 0.000 2.848 328 D HA 0.082 4.723 4.640 0.001 0.000 0.303 328 D C -1.003 175.165 176.300 -0.220 0.000 1.665 328 D CA -0.414 53.439 54.000 -0.245 0.000 0.807 328 D CB 0.789 41.499 40.800 -0.151 0.000 1.288 328 D HN -0.148 nan 8.370 nan 0.000 0.441 329 T N 0.467 114.865 114.554 -0.259 0.000 3.187 329 T HA 0.395 4.745 4.350 0.001 0.000 0.328 329 T C -0.799 173.706 174.700 -0.326 0.000 0.951 329 T CA -0.346 61.596 62.100 -0.262 0.000 1.049 329 T CB 1.501 70.267 68.868 -0.170 0.000 1.015 329 T HN -0.076 nan 8.240 nan 0.000 0.461 330 T N 2.938 117.158 114.554 -0.557 0.000 2.837 330 T HA 0.668 5.019 4.350 0.001 0.000 0.285 330 T C 0.172 174.550 174.700 -0.537 0.000 0.984 330 T CA -0.458 61.275 62.100 -0.612 0.000 1.049 330 T CB 1.375 69.715 68.868 -0.879 0.000 0.947 330 T HN 0.584 nan 8.240 nan 0.000 0.472 331 T N 2.325 116.750 114.554 -0.214 0.000 2.971 331 T HA 0.657 5.008 4.350 0.001 0.000 0.304 331 T C -1.240 173.476 174.700 0.027 0.000 1.038 331 T CA -0.741 61.330 62.100 -0.049 0.000 1.007 331 T CB 0.423 69.263 68.868 -0.046 0.000 1.055 331 T HN 0.420 nan 8.240 nan 0.000 0.451 332 I N 5.443 126.068 120.570 0.091 0.000 2.382 332 I HA 0.478 4.649 4.170 0.001 0.000 0.286 332 I C -0.248 175.896 176.117 0.045 0.000 1.002 332 I CA -0.764 60.579 61.300 0.072 0.000 1.135 332 I CB 1.590 39.651 38.000 0.101 0.000 1.288 332 I HN 0.584 nan 8.210 nan 0.000 0.448 333 I N 5.237 125.821 120.570 0.023 0.000 2.353 333 I HA 0.297 4.467 4.170 0.001 0.000 0.293 333 I C -0.385 175.735 176.117 0.006 0.000 0.992 333 I CA -0.451 60.857 61.300 0.013 0.000 1.268 333 I CB 1.022 39.025 38.000 0.005 0.000 1.387 333 I HN 0.600 nan 8.210 nan 0.000 0.478 334 D N 4.503 124.906 120.400 0.005 0.000 3.729 334 D HA -0.100 4.540 4.640 0.001 0.000 0.242 334 D C 0.149 176.447 176.300 -0.004 0.000 1.091 334 D CA 0.959 54.959 54.000 -0.001 0.000 1.096 334 D CB -0.143 40.653 40.800 -0.006 0.000 0.901 334 D HN 0.846 nan 8.370 nan 0.000 0.416 335 G N 0.697 109.497 108.800 0.000 0.000 2.572 335 G HA2 0.393 4.353 3.960 0.001 0.000 0.261 335 G HA3 0.393 4.353 3.960 0.001 0.000 0.261 335 G C 1.289 176.187 174.900 -0.004 0.000 1.197 335 G CA -0.395 44.705 45.100 -0.000 0.000 0.870 335 G HN 0.386 nan 8.290 nan 0.000 0.548 336 V N 1.144 121.057 119.914 -0.003 0.000 3.129 336 V HA 0.096 4.217 4.120 0.001 0.000 0.259 336 V C 2.052 178.150 176.094 0.005 0.000 1.116 336 V CA 0.905 63.205 62.300 -0.000 0.000 1.127 336 V CB -0.651 31.173 31.823 0.002 0.000 0.742 336 V HN 0.812 nan 8.190 nan 0.000 0.474 337 G N 1.061 109.865 108.800 0.006 0.000 2.305 337 G HA2 0.099 4.060 3.960 0.001 0.000 0.243 337 G HA3 0.099 4.060 3.960 0.001 0.000 0.243 337 G C -0.156 174.745 174.900 0.002 0.000 1.288 337 G CA -0.159 44.944 45.100 0.005 0.000 0.901 337 G HN 0.527 nan 8.290 nan 0.000 0.516 338 E N 1.784 121.985 120.200 0.002 0.000 2.331 338 E HA 0.096 4.447 4.350 0.001 0.000 0.272 338 E C 0.597 177.196 176.600 -0.002 0.000 1.036 338 E CA -0.231 56.169 56.400 0.000 0.000 0.864 338 E CB 1.608 31.309 29.700 0.001 0.000 1.035 338 E HN 0.659 nan 8.360 nan 0.000 0.408 339 E N 1.503 121.702 120.200 -0.002 0.000 2.463 339 E HA -0.192 4.158 4.350 0.001 0.000 0.201 339 E C 1.455 178.053 176.600 -0.004 0.000 1.045 339 E CA 0.600 56.998 56.400 -0.003 0.000 0.872 339 E CB -0.003 29.695 29.700 -0.003 0.000 0.797 339 E HN 0.569 nan 8.360 nan 0.000 0.538 340 A N 1.525 124.343 122.820 -0.003 0.000 1.841 340 A HA -0.056 4.265 4.320 0.001 0.000 0.214 340 A C 2.407 179.988 177.584 -0.005 0.000 1.195 340 A CA 1.458 53.492 52.037 -0.004 0.000 0.611 340 A CB -0.710 18.289 19.000 -0.003 0.000 0.835 340 A HN 0.316 nan 8.150 nan 0.000 0.443 341 A N 0.054 122.872 122.820 -0.005 0.000 1.877 341 A HA -0.088 4.232 4.320 0.001 0.000 0.216 341 A C 2.134 179.712 177.584 -0.009 0.000 1.186 341 A CA 1.587 53.620 52.037 -0.006 0.000 0.620 341 A CB -0.738 18.259 19.000 -0.005 0.000 0.822 341 A HN 0.507 nan 8.150 nan 0.000 0.443 342 I N -1.037 119.528 120.570 -0.008 0.000 2.058 342 I HA -0.320 3.850 4.170 0.001 0.000 0.235 342 I C 2.751 178.861 176.117 -0.012 0.000 1.053 342 I CA 1.992 63.286 61.300 -0.011 0.000 1.313 342 I CB -0.555 37.440 38.000 -0.009 0.000 1.039 342 I HN 0.334 nan 8.210 nan 0.000 0.396 343 Q N 1.266 121.061 119.800 -0.009 0.000 2.248 343 Q HA -0.146 4.194 4.340 0.001 0.000 0.208 343 Q C 1.946 177.939 176.000 -0.011 0.000 0.984 343 Q CA 1.947 57.744 55.803 -0.010 0.000 0.875 343 Q CB -0.730 28.003 28.738 -0.008 0.000 0.910 343 Q HN 0.564 nan 8.270 nan 0.000 0.433 344 G N 0.021 108.815 108.800 -0.010 0.000 2.484 344 G HA2 -0.340 3.621 3.960 0.001 0.000 0.215 344 G HA3 -0.340 3.621 3.960 0.001 0.000 0.215 344 G C 1.462 176.354 174.900 -0.014 0.000 1.219 344 G CA 0.902 45.995 45.100 -0.011 0.000 0.791 344 G HN 0.383 nan 8.290 nan 0.000 0.550 345 R N 0.218 120.709 120.500 -0.016 0.000 2.117 345 R HA -0.057 4.284 4.340 0.001 0.000 0.243 345 R C 2.550 178.837 176.300 -0.022 0.000 1.143 345 R CA 1.702 57.790 56.100 -0.020 0.000 0.968 345 R CB -0.968 29.319 30.300 -0.022 0.000 0.863 345 R HN 0.243 nan 8.270 nan 0.000 0.444 346 V N 0.607 120.510 119.914 -0.020 0.000 2.343 346 V HA -0.211 3.910 4.120 0.001 0.000 0.247 346 V C 2.290 178.372 176.094 -0.019 0.000 1.051 346 V CA 1.988 64.276 62.300 -0.020 0.000 1.036 346 V CB -0.937 30.875 31.823 -0.017 0.000 0.654 346 V HN 0.567 nan 8.190 nan 0.000 0.451 347 A N -1.292 121.518 122.820 -0.017 0.000 2.121 347 A HA -0.210 4.111 4.320 0.001 0.000 0.218 347 A C 2.153 179.727 177.584 -0.017 0.000 1.154 347 A CA 1.421 53.448 52.037 -0.016 0.000 0.679 347 A CB -0.326 18.666 19.000 -0.013 0.000 0.795 347 A HN 0.659 nan 8.150 nan 0.000 0.458 348 Q N -0.597 119.191 119.800 -0.019 0.000 2.033 348 Q HA -0.005 4.336 4.340 0.001 0.000 0.196 348 Q C 1.842 177.827 176.000 -0.025 0.000 0.970 348 Q CA 1.356 57.146 55.803 -0.021 0.000 0.828 348 Q CB -0.237 28.488 28.738 -0.023 0.000 0.895 348 Q HN 0.759 nan 8.270 nan 0.000 0.440 349 I N 0.385 120.938 120.570 -0.029 0.000 2.614 349 I HA -0.207 3.964 4.170 0.001 0.000 0.258 349 I C 2.371 178.470 176.117 -0.031 0.000 1.189 349 I CA 0.709 61.989 61.300 -0.034 0.000 1.462 349 I CB -0.198 37.779 38.000 -0.038 0.000 1.092 349 I HN 0.060 nan 8.210 nan 0.000 0.442 350 R N 1.077 121.562 120.500 -0.025 0.000 2.120 350 R HA -0.143 4.197 4.340 0.001 0.000 0.234 350 R C 2.055 178.343 176.300 -0.021 0.000 1.123 350 R CA 1.383 57.470 56.100 -0.022 0.000 0.975 350 R CB -0.015 30.274 30.300 -0.018 0.000 0.866 350 R HN 0.434 nan 8.270 nan 0.000 0.446 351 Q N -0.890 118.898 119.800 -0.021 0.000 2.392 351 Q HA 0.001 4.342 4.340 0.001 0.000 0.203 351 Q C 1.540 177.527 176.000 -0.022 0.000 0.917 351 Q CA 0.196 55.988 55.803 -0.019 0.000 0.939 351 Q CB 0.661 29.389 28.738 -0.017 0.000 1.063 351 Q HN 0.409 nan 8.270 nan 0.000 0.516 352 Q N 0.357 120.141 119.800 -0.027 0.000 2.083 352 Q HA -0.089 4.251 4.340 0.001 0.000 0.198 352 Q C 2.050 178.030 176.000 -0.033 0.000 0.969 352 Q CA 0.988 56.772 55.803 -0.032 0.000 0.838 352 Q CB -0.013 28.701 28.738 -0.040 0.000 0.900 352 Q HN 0.463 nan 8.270 nan 0.000 0.436 353 I N 1.473 122.023 120.570 -0.033 0.000 2.226 353 I HA -0.248 3.922 4.170 0.001 0.000 0.245 353 I C 2.179 178.282 176.117 -0.023 0.000 1.100 353 I CA 1.026 62.307 61.300 -0.032 0.000 1.374 353 I CB -0.401 37.581 38.000 -0.031 0.000 1.057 353 I HN 0.094 nan 8.210 nan 0.000 0.413 354 E N 1.333 121.522 120.200 -0.020 0.000 2.118 354 E HA -0.229 4.121 4.350 0.001 0.000 0.195 354 E C 1.558 178.150 176.600 -0.013 0.000 0.992 354 E CA 1.480 57.872 56.400 -0.015 0.000 0.804 354 E CB -0.306 29.387 29.700 -0.013 0.000 0.741 354 E HN 0.675 nan 8.360 nan 0.000 0.458 355 E N -0.001 120.190 120.200 -0.015 0.000 2.501 355 E HA 0.302 4.652 4.350 0.001 0.000 0.201 355 E C 0.030 176.621 176.600 -0.014 0.000 1.016 355 E CA -0.016 56.377 56.400 -0.013 0.000 0.920 355 E CB 0.790 30.483 29.700 -0.013 0.000 1.023 355 E HN 0.040 nan 8.360 nan 0.000 0.474 356 A N 1.944 124.753 122.820 -0.018 0.000 2.541 356 A HA 0.060 4.380 4.320 0.001 0.000 0.293 356 A C 1.400 178.979 177.584 -0.008 0.000 1.307 356 A CA 0.028 52.053 52.037 -0.019 0.000 0.978 356 A CB -0.512 18.469 19.000 -0.031 0.000 1.111 356 A HN 0.272 nan 8.150 nan 0.000 0.535 357 T N 0.045 114.597 114.554 -0.002 0.000 3.118 357 T HA 0.105 4.455 4.350 0.001 0.000 0.260 357 T C 0.961 175.669 174.700 0.013 0.000 1.139 357 T CA 0.888 62.991 62.100 0.005 0.000 1.085 357 T CB -0.089 68.783 68.868 0.006 0.000 0.934 357 T HN 0.504 nan 8.240 nan 0.000 0.518 358 S N -0.487 115.222 115.700 0.016 0.000 2.747 358 S HA 0.393 4.864 4.470 0.001 0.000 0.300 358 S C 0.319 174.940 174.600 0.034 0.000 1.121 358 S CA -0.743 57.477 58.200 0.034 0.000 0.995 358 S CB 1.473 64.705 63.200 0.054 0.000 1.113 358 S HN 0.130 nan 8.310 nan 0.000 0.547 359 D N 0.205 120.641 120.400 0.060 0.000 2.290 359 D HA 0.009 4.650 4.640 0.001 0.000 0.224 359 D C 1.394 177.742 176.300 0.079 0.000 0.967 359 D CA 0.961 54.996 54.000 0.058 0.000 0.893 359 D CB -0.414 40.425 40.800 0.064 0.000 1.037 359 D HN 0.662 nan 8.370 nan 0.000 0.477 360 Y N 2.166 122.465 120.300 -0.003 0.000 2.315 360 Y HA -0.153 4.397 4.550 0.001 0.000 0.288 360 Y C 1.570 177.465 175.900 -0.009 0.000 1.154 360 Y CA 1.420 59.519 58.100 -0.002 0.000 1.229 360 Y CB -0.029 38.433 38.460 0.003 0.000 0.980 360 Y HN -0.099 nan 8.280 nan 0.000 0.540 361 D N -0.241 120.106 120.400 -0.088 0.000 2.219 361 D HA -0.142 4.498 4.640 0.001 0.000 0.205 361 D C 1.994 178.211 176.300 -0.138 0.000 0.970 361 D CA 0.827 54.744 54.000 -0.139 0.000 0.851 361 D CB -0.034 40.742 40.800 -0.040 0.000 0.943 361 D HN 0.418 nan 8.370 nan 0.000 0.488 362 R N 0.515 120.956 120.500 -0.098 0.000 2.127 362 R HA -0.069 4.271 4.340 0.001 0.000 0.217 362 R C 2.011 178.252 176.300 -0.098 0.000 1.074 362 R CA 0.584 56.637 56.100 -0.077 0.000 0.991 362 R CB 0.348 30.623 30.300 -0.042 0.000 0.895 362 R HN -0.004 nan 8.270 nan 0.000 0.450 363 E N 1.118 121.243 120.200 -0.125 0.000 2.023 363 E HA -0.211 4.139 4.350 0.001 0.000 0.196 363 E C 1.775 178.293 176.600 -0.136 0.000 1.003 363 E CA 1.202 57.532 56.400 -0.117 0.000 0.809 363 E CB -0.180 29.450 29.700 -0.116 0.000 0.755 363 E HN 0.154 nan 8.360 nan 0.000 0.449 364 K N 0.871 121.139 120.400 -0.219 0.000 2.063 364 K HA -0.056 4.264 4.320 0.001 0.000 0.208 364 K C 2.519 179.043 176.600 -0.126 0.000 1.048 364 K CA 0.712 56.887 56.287 -0.187 0.000 0.928 364 K CB -0.744 31.599 32.500 -0.261 0.000 0.713 364 K HN 0.182 nan 8.250 nan 0.000 0.442 365 L N 1.043 122.192 121.223 -0.123 0.000 2.017 365 L HA -0.224 4.117 4.340 0.001 0.000 0.208 365 L C 2.675 179.505 176.870 -0.068 0.000 1.073 365 L CA 1.365 56.152 54.840 -0.089 0.000 0.745 365 L CB -0.495 41.516 42.059 -0.080 0.000 0.894 365 L HN 0.233 nan 8.230 nan 0.000 0.432 366 Q N -0.140 119.621 119.800 -0.065 0.000 2.135 366 Q HA -0.239 4.102 4.340 0.001 0.000 0.204 366 Q C 2.131 178.106 176.000 -0.042 0.000 0.981 366 Q CA 1.635 57.409 55.803 -0.048 0.000 0.856 366 Q CB -0.067 28.643 28.738 -0.046 0.000 0.902 366 Q HN 0.514 nan 8.270 nan 0.000 0.425 367 E N 0.328 120.500 120.200 -0.047 0.000 2.038 367 E HA -0.205 4.145 4.350 0.001 0.000 0.195 367 E C 2.031 178.613 176.600 -0.030 0.000 1.000 367 E CA 1.121 57.501 56.400 -0.033 0.000 0.803 367 E CB -0.037 29.643 29.700 -0.033 0.000 0.750 367 E HN 0.269 nan 8.360 nan 0.000 0.448 368 R N 0.517 120.991 120.500 -0.043 0.000 2.096 368 R HA -0.120 4.220 4.340 0.001 0.000 0.235 368 R C 2.732 179.010 176.300 -0.036 0.000 1.127 368 R CA 1.444 57.517 56.100 -0.044 0.000 0.968 368 R CB -0.748 29.516 30.300 -0.060 0.000 0.861 368 R HN 0.234 nan 8.270 nan 0.000 0.440 369 V N -0.908 118.985 119.914 -0.035 0.000 2.407 369 V HA -0.123 3.998 4.120 0.001 0.000 0.248 369 V C 2.197 178.279 176.094 -0.020 0.000 1.055 369 V CA 1.908 64.191 62.300 -0.028 0.000 1.049 369 V CB -0.709 31.097 31.823 -0.029 0.000 0.662 369 V HN 0.263 nan 8.190 nan 0.000 0.455 370 A N 0.107 122.916 122.820 -0.018 0.000 1.930 370 A HA -0.042 4.279 4.320 0.001 0.000 0.215 370 A C 2.283 179.865 177.584 -0.004 0.000 1.176 370 A CA 1.577 53.608 52.037 -0.010 0.000 0.632 370 A CB -0.537 18.458 19.000 -0.008 0.000 0.819 370 A HN 0.583 nan 8.150 nan 0.000 0.445 371 K N -0.726 119.672 120.400 -0.004 0.000 2.209 371 K HA -0.020 4.300 4.320 0.001 0.000 0.204 371 K C 1.513 178.113 176.600 0.000 0.000 1.048 371 K CA 1.206 57.496 56.287 0.005 0.000 0.940 371 K CB -0.192 32.308 32.500 0.001 0.000 0.729 371 K HN 0.467 nan 8.250 nan 0.000 0.451 372 L N -0.991 120.226 121.223 -0.010 0.000 2.362 372 L HA 0.107 4.447 4.340 0.001 0.000 0.204 372 L C 1.885 178.750 176.870 -0.008 0.000 1.060 372 L CA 0.282 55.114 54.840 -0.012 0.000 0.827 372 L CB -0.144 41.903 42.059 -0.021 0.000 1.027 372 L HN 0.080 nan 8.230 nan 0.000 0.474 373 A N 0.192 123.007 122.820 -0.009 0.000 3.051 373 A HA 0.301 4.622 4.320 0.001 0.000 0.187 373 A C 1.779 179.361 177.584 -0.004 0.000 1.690 373 A CA 0.883 52.915 52.037 -0.007 0.000 0.677 373 A CB -1.403 17.592 19.000 -0.010 0.000 1.164 373 A HN 0.259 nan 8.150 nan 0.000 0.473 374 G N -1.692 107.106 108.800 -0.003 0.000 2.751 374 G HA2 0.432 4.392 3.960 0.001 0.000 0.187 374 G HA3 0.432 4.392 3.960 0.001 0.000 0.187 374 G C 0.522 175.423 174.900 0.002 0.000 1.733 374 G CA 0.842 45.941 45.100 -0.001 0.000 0.898 374 G HN 1.533 nan 8.290 nan 0.000 0.408 375 G N -2.639 106.163 108.800 0.003 0.000 2.619 375 G HA2 0.487 4.447 3.960 0.001 0.000 0.305 375 G HA3 0.487 4.447 3.960 0.001 0.000 0.305 375 G C -2.143 172.761 174.900 0.006 0.000 1.330 375 G CA -0.188 44.916 45.100 0.006 0.000 0.789 375 G HN 0.714 nan 8.290 nan 0.000 0.487 376 V N 0.011 119.930 119.914 0.009 0.000 2.604 376 V HA 0.822 4.943 4.120 0.001 0.000 0.305 376 V C 0.076 176.175 176.094 0.010 0.000 1.043 376 V CA -0.125 62.181 62.300 0.010 0.000 0.888 376 V CB 1.413 33.245 31.823 0.014 0.000 0.995 376 V HN 1.432 nan 8.190 nan 0.000 0.429 377 A N 4.273 127.099 122.820 0.009 0.000 2.413 377 A HA 0.952 5.272 4.320 0.001 0.000 0.307 377 A C -1.284 176.308 177.584 0.012 0.000 1.087 377 A CA -0.591 51.451 52.037 0.009 0.000 0.750 377 A CB 2.071 21.076 19.000 0.009 0.000 1.296 377 A HN 0.697 nan 8.150 nan 0.000 0.423 378 V N 2.074 121.995 119.914 0.011 0.000 2.588 378 V HA 0.444 4.565 4.120 0.001 0.000 0.304 378 V C -0.490 175.612 176.094 0.013 0.000 1.042 378 V CA -0.251 62.056 62.300 0.013 0.000 0.877 378 V CB 1.583 33.413 31.823 0.011 0.000 0.996 378 V HN 0.750 nan 8.190 nan 0.000 0.425 379 I N 4.296 124.875 120.570 0.016 0.000 2.321 379 I HA 0.411 4.581 4.170 0.001 0.000 0.291 379 I C 0.059 176.184 176.117 0.013 0.000 0.998 379 I CA -0.440 60.868 61.300 0.014 0.000 1.227 379 I CB 1.323 39.333 38.000 0.018 0.000 1.368 379 I HN 0.515 nan 8.210 nan 0.000 0.466 380 K N 6.078 126.484 120.400 0.010 0.000 2.265 380 K HA 0.506 4.826 4.320 0.001 0.000 0.267 380 K C -1.022 175.583 176.600 0.008 0.000 0.994 380 K CA -0.657 55.635 56.287 0.009 0.000 0.860 380 K CB 2.200 34.703 32.500 0.006 0.000 1.099 380 K HN 0.303 nan 8.250 nan 0.000 0.448 381 V N 2.120 122.039 119.914 0.008 0.000 2.407 381 V HA 0.359 4.480 4.120 0.001 0.000 0.278 381 V C 0.694 176.791 176.094 0.005 0.000 1.037 381 V CA -0.921 61.383 62.300 0.006 0.000 0.900 381 V CB 1.248 33.075 31.823 0.007 0.000 0.983 381 V HN 0.888 nan 8.190 nan 0.000 0.459 382 G N 2.826 111.628 108.800 0.003 0.000 2.389 382 G HA2 0.781 4.741 3.960 0.001 0.000 0.317 382 G HA3 0.781 4.741 3.960 0.001 0.000 0.317 382 G C -0.494 174.407 174.900 0.002 0.000 1.137 382 G CA 0.016 45.118 45.100 0.003 0.000 0.870 382 G HN 1.253 nan 8.290 nan 0.000 0.496 383 A N -0.010 122.810 122.820 0.002 0.000 2.610 383 A HA 0.791 5.112 4.320 0.001 0.000 0.291 383 A C 0.770 178.355 177.584 0.000 0.000 1.086 383 A CA 0.301 52.338 52.037 0.001 0.000 0.677 383 A CB 0.834 19.834 19.000 0.001 0.000 1.278 383 A HN 1.704 nan 8.150 nan 0.000 0.414 384 A N 0.006 122.825 122.820 -0.000 0.000 1.872 384 A HA 0.324 4.645 4.320 0.001 0.000 0.214 384 A C 1.567 179.151 177.584 -0.000 0.000 1.187 384 A CA 2.612 54.649 52.037 -0.001 0.000 0.614 384 A CB -0.884 18.115 19.000 -0.001 0.000 0.826 384 A HN 1.779 nan 8.150 nan 0.000 0.442 385 T N -4.625 109.929 114.554 -0.000 0.000 2.850 385 T HA 0.507 4.857 4.350 0.001 0.000 0.269 385 T C 0.761 175.461 174.700 0.001 0.000 1.075 385 T CA 0.208 62.308 62.100 -0.000 0.000 0.987 385 T CB 1.126 69.993 68.868 -0.001 0.000 1.889 385 T HN 0.177 nan 8.240 nan 0.000 0.584 386 E N -0.453 119.748 120.200 0.001 0.000 2.399 386 E HA 0.102 4.452 4.350 0.001 0.000 0.206 386 E C 2.249 178.851 176.600 0.003 0.000 0.812 386 E CA 0.549 56.951 56.400 0.003 0.000 1.138 386 E CB 0.531 30.234 29.700 0.005 0.000 1.140 386 E HN 0.505 nan 8.360 nan 0.000 0.536 387 V N 0.063 119.978 119.914 0.000 0.000 2.568 387 V HA -0.235 3.885 4.120 0.001 0.000 0.253 387 V C 2.006 178.099 176.094 -0.002 0.000 1.072 387 V CA 2.255 64.554 62.300 -0.002 0.000 1.084 387 V CB -0.586 31.234 31.823 -0.006 0.000 0.676 387 V HN 0.186 nan 8.190 nan 0.000 0.469 388 E N -0.181 120.018 120.200 -0.001 0.000 2.086 388 E HA -0.177 4.174 4.350 0.001 0.000 0.190 388 E C 2.118 178.718 176.600 0.000 0.000 0.975 388 E CA 1.152 57.551 56.400 -0.002 0.000 0.813 388 E CB -0.166 29.533 29.700 -0.002 0.000 0.768 388 E HN 0.521 nan 8.360 nan 0.000 0.457 389 M N 1.467 121.068 119.600 0.002 0.000 2.106 389 M HA -0.215 4.265 4.480 0.001 0.000 0.259 389 M C 1.815 178.117 176.300 0.004 0.000 1.068 389 M CA 1.828 57.130 55.300 0.003 0.000 1.100 389 M CB -0.090 32.513 32.600 0.005 0.000 1.351 389 M HN -0.086 nan 8.290 nan 0.000 0.404 390 K N -0.500 119.903 120.400 0.005 0.000 1.985 390 K HA -0.240 4.081 4.320 0.001 0.000 0.210 390 K C 1.950 178.551 176.600 0.002 0.000 1.047 390 K CA 1.957 58.247 56.287 0.006 0.000 0.932 390 K CB -0.366 32.140 32.500 0.009 0.000 0.716 390 K HN 0.545 nan 8.250 nan 0.000 0.439 391 E N 1.379 121.579 120.200 -0.001 0.000 2.085 391 E HA -0.273 4.077 4.350 0.001 0.000 0.194 391 E C 1.845 178.442 176.600 -0.005 0.000 0.994 391 E CA 1.876 58.274 56.400 -0.004 0.000 0.801 391 E CB -0.039 29.658 29.700 -0.005 0.000 0.743 391 E HN 0.078 nan 8.360 nan 0.000 0.453 392 K N 0.823 121.222 120.400 -0.003 0.000 2.001 392 K HA -0.109 4.212 4.320 0.001 0.000 0.208 392 K C 2.187 178.786 176.600 -0.002 0.000 1.048 392 K CA 1.808 58.093 56.287 -0.003 0.000 0.932 392 K CB -0.221 32.279 32.500 -0.001 0.000 0.715 392 K HN 0.105 nan 8.250 nan 0.000 0.437 393 K N -0.208 120.192 120.400 0.000 0.000 2.044 393 K HA -0.172 4.149 4.320 0.001 0.000 0.210 393 K C 1.944 178.542 176.600 -0.004 0.000 1.049 393 K CA 1.513 57.801 56.287 0.002 0.000 0.927 393 K CB -0.357 32.146 32.500 0.006 0.000 0.713 393 K HN 0.276 nan 8.250 nan 0.000 0.443 394 A N 0.942 123.757 122.820 -0.009 0.000 2.032 394 A HA -0.199 4.122 4.320 0.001 0.000 0.221 394 A C 2.044 179.610 177.584 -0.030 0.000 1.165 394 A CA 1.591 53.615 52.037 -0.022 0.000 0.645 394 A CB -0.373 18.616 19.000 -0.019 0.000 0.807 394 A HN 0.316 nan 8.150 nan 0.000 0.453 395 R N -1.174 119.315 120.500 -0.019 0.000 2.090 395 R HA 0.030 4.371 4.340 0.001 0.000 0.219 395 R C 2.022 178.313 176.300 -0.015 0.000 1.100 395 R CA 1.117 57.206 56.100 -0.020 0.000 0.991 395 R CB -0.239 30.054 30.300 -0.012 0.000 0.893 395 R HN 0.359 nan 8.270 nan 0.000 0.443 396 V N 1.557 121.467 119.914 -0.005 0.000 2.392 396 V HA -0.234 3.887 4.120 0.001 0.000 0.249 396 V C 2.148 178.249 176.094 0.012 0.000 1.059 396 V CA 1.641 63.945 62.300 0.006 0.000 1.051 396 V CB -0.445 31.384 31.823 0.011 0.000 0.658 396 V HN 0.295 nan 8.190 nan 0.000 0.455 397 E N 0.393 120.591 120.200 -0.003 0.000 2.038 397 E HA -0.270 4.080 4.350 0.001 0.000 0.195 397 E C 2.022 178.562 176.600 -0.100 0.000 1.000 397 E CA 1.935 58.325 56.400 -0.018 0.000 0.803 397 E CB -0.413 29.255 29.700 -0.053 0.000 0.750 397 E HN 0.649 nan 8.360 nan 0.000 0.448 398 D N 0.222 120.543 120.400 -0.131 0.000 2.104 398 D HA -0.144 4.497 4.640 0.001 0.000 0.194 398 D C 1.819 178.095 176.300 -0.040 0.000 0.994 398 D CA 1.766 55.678 54.000 -0.146 0.000 0.830 398 D CB -0.165 40.583 40.800 -0.087 0.000 0.959 398 D HN 0.210 nan 8.370 nan 0.000 0.452 399 A N 0.530 123.350 122.820 -0.001 0.000 1.877 399 A HA -0.135 4.186 4.320 0.001 0.000 0.216 399 A C 2.088 179.713 177.584 0.069 0.000 1.186 399 A CA 0.804 52.859 52.037 0.030 0.000 0.620 399 A CB -0.761 18.252 19.000 0.021 0.000 0.822 399 A HN 0.290 nan 8.150 nan 0.000 0.443 400 L N -0.761 120.520 121.223 0.096 0.000 2.127 400 L HA -0.198 4.142 4.340 0.001 0.000 0.211 400 L C 2.242 179.233 176.870 0.202 0.000 1.089 400 L CA 2.362 57.282 54.840 0.134 0.000 0.757 400 L CB -1.060 41.087 42.059 0.147 0.000 0.899 400 L HN 0.520 nan 8.230 nan 0.000 0.434 401 H N -0.566 118.513 119.070 0.014 0.000 2.372 401 H HA 0.095 4.651 4.556 0.001 0.000 0.301 401 H C 2.204 177.542 175.328 0.016 0.000 1.065 401 H CA 1.147 57.205 56.048 0.016 0.000 1.364 401 H CB -0.338 29.436 29.762 0.020 0.000 1.406 401 H HN 0.369 nan 8.280 nan 0.000 0.521 402 A N 0.506 123.421 122.820 0.158 0.000 1.902 402 A HA -0.201 4.120 4.320 0.001 0.000 0.217 402 A C 2.494 180.116 177.584 0.064 0.000 1.181 402 A CA 2.335 54.426 52.037 0.090 0.000 0.623 402 A CB -1.098 17.936 19.000 0.057 0.000 0.818 402 A HN 0.606 nan 8.150 nan 0.000 0.443 403 T N -1.891 112.698 114.554 0.058 0.000 2.708 403 T HA -0.169 4.181 4.350 0.001 0.000 0.266 403 T C 1.908 176.627 174.700 0.031 0.000 1.037 403 T CA 1.128 63.250 62.100 0.038 0.000 1.146 403 T CB -0.442 68.445 68.868 0.032 0.000 0.865 403 T HN 0.434 nan 8.240 nan 0.000 0.435 404 R N 1.481 122.000 120.500 0.032 0.000 2.159 404 R HA 0.063 4.404 4.340 0.001 0.000 0.237 404 R C 2.735 179.040 176.300 0.007 0.000 1.131 404 R CA 1.308 57.411 56.100 0.005 0.000 0.982 404 R CB -0.815 29.465 30.300 -0.033 0.000 0.868 404 R HN 0.626 nan 8.270 nan 0.000 0.453 405 A N 0.949 123.785 122.820 0.026 0.000 1.878 405 A HA 0.095 4.416 4.320 0.001 0.000 0.213 405 A C 2.400 179.996 177.584 0.021 0.000 1.192 405 A CA 1.092 53.145 52.037 0.027 0.000 0.619 405 A CB -0.513 18.514 19.000 0.045 0.000 0.837 405 A HN 0.292 nan 8.150 nan 0.000 0.446 406 A N -0.214 122.620 122.820 0.023 0.000 1.873 406 A HA -0.123 4.197 4.320 0.001 0.000 0.218 406 A C 2.227 179.818 177.584 0.012 0.000 1.193 406 A CA 2.157 54.205 52.037 0.017 0.000 0.629 406 A CB -1.179 17.831 19.000 0.018 0.000 0.826 406 A HN 0.448 nan 8.150 nan 0.000 0.447 407 V N 1.086 121.007 119.914 0.010 0.000 2.332 407 V HA -0.287 3.834 4.120 0.001 0.000 0.248 407 V C 2.582 178.678 176.094 0.004 0.000 1.055 407 V CA 2.410 64.714 62.300 0.006 0.000 1.038 407 V CB -0.921 30.904 31.823 0.004 0.000 0.651 407 V HN 0.932 nan 8.190 nan 0.000 0.450 408 E N -0.154 120.048 120.200 0.003 0.000 2.299 408 E HA -0.144 4.206 4.350 0.001 0.000 0.193 408 E C 1.712 178.314 176.600 0.004 0.000 0.998 408 E CA 1.209 57.610 56.400 0.002 0.000 0.851 408 E CB 0.037 29.737 29.700 -0.001 0.000 0.795 408 E HN 0.678 nan 8.360 nan 0.000 0.492 409 E N 0.047 120.251 120.200 0.006 0.000 2.715 409 E HA 0.219 4.570 4.350 0.001 0.000 0.224 409 E C -0.047 176.557 176.600 0.006 0.000 0.962 409 E CA 0.215 56.618 56.400 0.005 0.000 1.145 409 E CB 1.177 30.881 29.700 0.006 0.000 1.083 409 E HN 0.360 nan 8.360 nan 0.000 0.506 410 G N 0.592 109.397 108.800 0.007 0.000 2.757 410 G HA2 -0.200 3.761 3.960 0.001 0.000 0.638 410 G HA3 -0.200 3.761 3.960 0.001 0.000 0.638 410 G C -0.404 174.502 174.900 0.010 0.000 1.344 410 G CA -0.448 44.657 45.100 0.008 0.000 0.855 410 G HN 0.555 nan 8.290 nan 0.000 0.537 411 V N -2.504 117.416 119.914 0.010 0.000 3.074 411 V HA 0.995 5.115 4.120 0.001 0.000 0.314 411 V C 0.585 176.687 176.094 0.012 0.000 1.117 411 V CA 0.091 62.398 62.300 0.012 0.000 1.014 411 V CB 1.463 33.294 31.823 0.012 0.000 1.057 411 V HN 2.501 nan 8.190 nan 0.000 0.438 412 V N -0.997 118.925 119.914 0.014 0.000 3.159 412 V HA 0.991 5.112 4.120 0.001 0.000 0.308 412 V C 0.364 176.468 176.094 0.018 0.000 1.190 412 V CA -0.709 61.601 62.300 0.016 0.000 1.037 412 V CB 1.240 33.072 31.823 0.015 0.000 1.060 412 V HN 2.162 nan 8.190 nan 0.000 0.437 413 A N 1.372 124.205 122.820 0.022 0.000 2.548 413 A HA 0.587 4.907 4.320 0.001 0.000 0.247 413 A C 0.978 178.574 177.584 0.021 0.000 1.067 413 A CA 0.746 52.798 52.037 0.024 0.000 0.757 413 A CB -0.676 18.345 19.000 0.034 0.000 0.996 413 A HN 2.075 nan 8.150 nan 0.000 0.504 414 G N 0.867 109.676 108.800 0.015 0.000 2.525 414 G HA2 0.514 4.475 3.960 0.001 0.000 0.276 414 G HA3 0.514 4.475 3.960 0.001 0.000 0.276 414 G C 1.206 176.116 174.900 0.017 0.000 1.388 414 G CA -0.001 45.106 45.100 0.013 0.000 1.050 414 G HN 2.296 nan 8.290 nan 0.000 0.520 415 G N -2.328 106.483 108.800 0.017 0.000 2.148 415 G HA2 0.205 4.165 3.960 0.001 0.000 0.254 415 G HA3 0.205 4.165 3.960 0.001 0.000 0.254 415 G C 1.439 176.361 174.900 0.036 0.000 0.981 415 G CA 0.978 46.096 45.100 0.029 0.000 0.670 415 G HN 2.464 nan 8.290 nan 0.000 0.528 416 G N -1.574 107.243 108.800 0.028 0.000 2.379 416 G HA2 -0.053 3.907 3.960 0.001 0.000 0.297 416 G HA3 -0.053 3.907 3.960 0.001 0.000 0.297 416 G C 1.715 176.634 174.900 0.032 0.000 1.004 416 G CA 1.773 46.889 45.100 0.027 0.000 0.921 416 G HN 2.154 nan 8.290 nan 0.000 0.511 417 V N -0.982 118.953 119.914 0.036 0.000 2.453 417 V HA 0.190 4.310 4.120 0.001 0.000 0.247 417 V C 2.861 178.977 176.094 0.037 0.000 1.048 417 V CA 2.248 64.574 62.300 0.042 0.000 1.049 417 V CB -0.550 31.303 31.823 0.049 0.000 0.672 417 V HN 1.356 nan 8.190 nan 0.000 0.457 418 A N 0.441 123.279 122.820 0.031 0.000 1.884 418 A HA -0.240 4.081 4.320 0.001 0.000 0.219 418 A C 2.181 179.778 177.584 0.022 0.000 1.197 418 A CA 2.570 54.623 52.037 0.026 0.000 0.637 418 A CB -0.987 18.025 19.000 0.020 0.000 0.827 418 A HN 0.560 nan 8.150 nan 0.000 0.450 419 L N -0.030 121.205 121.223 0.020 0.000 2.012 419 L HA -0.176 4.165 4.340 0.001 0.000 0.210 419 L C 2.426 179.307 176.870 0.019 0.000 1.073 419 L CA 1.483 56.333 54.840 0.017 0.000 0.748 419 L CB -0.648 41.420 42.059 0.015 0.000 0.891 419 L HN 0.401 nan 8.230 nan 0.000 0.431 420 I N -0.867 119.718 120.570 0.025 0.000 2.248 420 I HA -0.304 3.867 4.170 0.001 0.000 0.248 420 I C 2.507 178.641 176.117 0.028 0.000 1.107 420 I CA 1.156 62.472 61.300 0.027 0.000 1.373 420 I CB -0.918 37.103 38.000 0.036 0.000 1.055 420 I HN 0.341 nan 8.210 nan 0.000 0.418 421 R N 0.552 121.071 120.500 0.031 0.000 2.090 421 R HA -0.062 4.279 4.340 0.001 0.000 0.228 421 R C 2.345 178.658 176.300 0.021 0.000 1.110 421 R CA 1.274 57.392 56.100 0.030 0.000 0.973 421 R CB -1.235 29.085 30.300 0.034 0.000 0.869 421 R HN 0.474 nan 8.270 nan 0.000 0.440 422 V N -0.357 119.567 119.914 0.017 0.000 2.548 422 V HA 0.004 4.125 4.120 0.001 0.000 0.249 422 V C 2.164 178.264 176.094 0.010 0.000 1.055 422 V CA 1.755 64.062 62.300 0.011 0.000 1.065 422 V CB -0.694 31.133 31.823 0.007 0.000 0.681 422 V HN 0.167 nan 8.190 nan 0.000 0.462 423 A N 1.507 124.334 122.820 0.012 0.000 1.940 423 A HA -0.164 4.157 4.320 0.001 0.000 0.219 423 A C 2.513 180.103 177.584 0.010 0.000 1.176 423 A CA 2.615 54.658 52.037 0.010 0.000 0.631 423 A CB -1.000 18.007 19.000 0.011 0.000 0.814 423 A HN 0.966 nan 8.150 nan 0.000 0.446 424 S N -0.623 115.085 115.700 0.013 0.000 2.470 424 S HA -0.019 4.452 4.470 0.001 0.000 0.225 424 S C 1.697 176.302 174.600 0.008 0.000 1.006 424 S CA 1.095 59.301 58.200 0.011 0.000 0.934 424 S CB -0.130 63.078 63.200 0.013 0.000 0.778 424 S HN 0.535 nan 8.310 nan 0.000 0.517 425 K N 1.240 121.645 120.400 0.009 0.000 2.147 425 K HA 0.147 4.468 4.320 0.001 0.000 0.205 425 K C 1.158 177.761 176.600 0.005 0.000 1.049 425 K CA 0.977 57.268 56.287 0.007 0.000 0.936 425 K CB -0.321 32.184 32.500 0.007 0.000 0.722 425 K HN 0.409 nan 8.250 nan 0.000 0.446 426 L N -0.362 120.864 121.223 0.005 0.000 2.685 426 L HA 0.241 4.582 4.340 0.001 0.000 0.233 426 L C 1.555 178.427 176.870 0.003 0.000 1.173 426 L CA -0.292 54.550 54.840 0.003 0.000 0.961 426 L CB 0.123 42.184 42.059 0.003 0.000 1.217 426 L HN 0.064 nan 8.230 nan 0.000 0.478 427 A N -0.168 122.654 122.820 0.004 0.000 2.076 427 A HA -0.172 4.149 4.320 0.001 0.000 0.220 427 A C 1.488 179.073 177.584 0.002 0.000 1.160 427 A CA 1.501 53.540 52.037 0.003 0.000 0.653 427 A CB -0.188 18.814 19.000 0.003 0.000 0.801 427 A HN 0.339 nan 8.150 nan 0.000 0.455 428 D N -1.046 119.355 120.400 0.002 0.000 2.402 428 D HA 0.190 4.831 4.640 0.001 0.000 0.216 428 D C -0.324 175.977 176.300 0.001 0.000 1.128 428 D CA -0.224 53.777 54.000 0.001 0.000 0.833 428 D CB 0.159 40.959 40.800 0.001 0.000 0.971 428 D HN 0.235 nan 8.370 nan 0.000 0.503 429 L N 1.856 123.080 121.223 0.002 0.000 2.410 429 L HA 0.180 4.520 4.340 0.001 0.000 0.273 429 L C 0.436 177.307 176.870 0.002 0.000 1.144 429 L CA 0.410 55.251 54.840 0.001 0.000 0.863 429 L CB 0.097 42.157 42.059 0.001 0.000 1.140 429 L HN -0.194 nan 8.230 nan 0.000 0.463 430 R N 2.593 123.094 120.500 0.001 0.000 2.939 430 R HA 0.743 5.084 4.340 0.001 0.000 0.254 430 R C -0.125 176.176 176.300 0.002 0.000 1.123 430 R CA -0.525 55.576 56.100 0.002 0.000 1.020 430 R CB 1.377 31.677 30.300 0.001 0.000 1.206 430 R HN 0.765 nan 8.270 nan 0.000 0.491 431 G N -0.381 108.420 108.800 0.002 0.000 3.008 431 G HA2 0.174 4.135 3.960 0.001 0.000 0.181 431 G HA3 0.174 4.135 3.960 0.001 0.000 0.181 431 G C -0.064 174.837 174.900 0.002 0.000 1.309 431 G CA -0.305 44.796 45.100 0.002 0.000 1.009 431 G HN 0.449 nan 8.290 nan 0.000 0.584 432 Q N 0.152 119.954 119.800 0.003 0.000 2.425 432 Q HA 0.196 4.536 4.340 0.001 0.000 0.204 432 Q C 0.375 176.377 176.000 0.002 0.000 0.933 432 Q CA 0.224 56.028 55.803 0.002 0.000 0.939 432 Q CB 0.122 28.861 28.738 0.003 0.000 1.044 432 Q HN 0.563 nan 8.270 nan 0.000 0.513 433 N N -1.404 117.298 118.700 0.002 0.000 3.261 433 N HA -0.038 4.702 4.740 0.001 0.000 0.248 433 N C 0.051 175.562 175.510 0.002 0.000 1.498 433 N CA -0.327 52.724 53.050 0.002 0.000 0.884 433 N CB 0.860 39.348 38.487 0.002 0.000 1.428 433 N HN -0.149 nan 8.380 nan 0.000 0.517 434 E N 0.225 120.426 120.200 0.002 0.000 2.077 434 E HA -0.101 4.250 4.350 0.001 0.000 0.193 434 E C 0.622 177.224 176.600 0.003 0.000 0.989 434 E CA 1.909 58.310 56.400 0.002 0.000 0.800 434 E CB -0.309 29.392 29.700 0.002 0.000 0.746 434 E HN 0.521 nan 8.360 nan 0.000 0.452 435 D N 0.297 120.698 120.400 0.003 0.000 2.123 435 D HA -0.181 4.459 4.640 0.001 0.000 0.196 435 D C 1.945 178.248 176.300 0.004 0.000 0.992 435 D CA 1.093 55.096 54.000 0.004 0.000 0.833 435 D CB -0.328 40.475 40.800 0.004 0.000 0.954 435 D HN 0.380 nan 8.370 nan 0.000 0.455 436 Q N 0.190 119.992 119.800 0.004 0.000 2.112 436 Q HA -0.171 4.170 4.340 0.001 0.000 0.206 436 Q C 1.864 177.866 176.000 0.004 0.000 0.987 436 Q CA 1.025 56.831 55.803 0.004 0.000 0.858 436 Q CB -0.126 28.615 28.738 0.004 0.000 0.905 436 Q HN 0.270 nan 8.270 nan 0.000 0.420 437 N N 0.031 118.733 118.700 0.003 0.000 2.069 437 N HA -0.131 4.609 4.740 0.001 0.000 0.191 437 N C 1.820 177.331 175.510 0.003 0.000 1.031 437 N CA 1.127 54.179 53.050 0.003 0.000 0.852 437 N CB -0.493 37.995 38.487 0.002 0.000 1.018 437 N HN 0.044 nan 8.380 nan 0.000 0.423 438 V N 0.557 120.473 119.914 0.003 0.000 2.490 438 V HA -0.136 3.985 4.120 0.001 0.000 0.250 438 V C 2.292 178.389 176.094 0.004 0.000 1.061 438 V CA 1.911 64.213 62.300 0.004 0.000 1.064 438 V CB -1.176 30.649 31.823 0.003 0.000 0.670 438 V HN 0.385 nan 8.190 nan 0.000 0.461 439 G N -0.481 108.322 108.800 0.005 0.000 2.448 439 G HA2 -0.138 3.822 3.960 0.001 0.000 0.218 439 G HA3 -0.138 3.822 3.960 0.001 0.000 0.218 439 G C 1.548 176.451 174.900 0.005 0.000 1.135 439 G CA 0.624 45.727 45.100 0.006 0.000 0.784 439 G HN 0.490 nan 8.290 nan 0.000 0.543 440 I N -0.133 120.439 120.570 0.004 0.000 2.193 440 I HA -0.031 4.139 4.170 0.001 0.000 0.240 440 I C 2.707 178.827 176.117 0.004 0.000 1.084 440 I CA 0.828 62.131 61.300 0.004 0.000 1.365 440 I CB -0.035 37.967 38.000 0.003 0.000 1.064 440 I HN -0.054 nan 8.210 nan 0.000 0.410 441 K N 0.650 121.052 120.400 0.004 0.000 2.089 441 K HA -0.158 4.163 4.320 0.001 0.000 0.210 441 K C 1.937 178.540 176.600 0.005 0.000 1.048 441 K CA 1.165 57.454 56.287 0.004 0.000 0.926 441 K CB -0.825 31.677 32.500 0.003 0.000 0.714 441 K HN 0.110 nan 8.250 nan 0.000 0.448 442 V N 0.577 120.494 119.914 0.005 0.000 2.282 442 V HA -0.332 3.788 4.120 0.001 0.000 0.249 442 V C 2.203 178.301 176.094 0.007 0.000 1.057 442 V CA 2.216 64.520 62.300 0.006 0.000 1.032 442 V CB -0.801 31.026 31.823 0.007 0.000 0.645 442 V HN 0.428 nan 8.190 nan 0.000 0.447 443 A N -0.540 122.284 122.820 0.007 0.000 1.898 443 A HA -0.120 4.200 4.320 0.001 0.000 0.216 443 A C 2.174 179.761 177.584 0.006 0.000 1.181 443 A CA 1.688 53.729 52.037 0.007 0.000 0.620 443 A CB -0.503 18.500 19.000 0.005 0.000 0.819 443 A HN 0.518 nan 8.150 nan 0.000 0.442 444 L N -1.281 119.945 121.223 0.005 0.000 2.042 444 L HA -0.188 4.152 4.340 0.001 0.000 0.210 444 L C 2.781 179.655 176.870 0.007 0.000 1.076 444 L CA 1.848 56.692 54.840 0.006 0.000 0.749 444 L CB -0.516 41.546 42.059 0.005 0.000 0.893 444 L HN 0.373 nan 8.230 nan 0.000 0.432 445 R N 0.067 120.571 120.500 0.006 0.000 2.152 445 R HA -0.103 4.237 4.340 0.001 0.000 0.232 445 R C 2.189 178.493 176.300 0.007 0.000 1.117 445 R CA 1.170 57.274 56.100 0.006 0.000 0.981 445 R CB -0.127 30.176 30.300 0.005 0.000 0.870 445 R HN 0.368 nan 8.270 nan 0.000 0.451 446 A N -0.425 122.400 122.820 0.008 0.000 2.123 446 A HA -0.008 4.312 4.320 0.001 0.000 0.214 446 A C 1.840 179.430 177.584 0.010 0.000 1.152 446 A CA 0.408 52.451 52.037 0.010 0.000 0.728 446 A CB -0.126 18.880 19.000 0.011 0.000 0.814 446 A HN 0.274 nan 8.150 nan 0.000 0.464 447 M N -0.565 119.041 119.600 0.010 0.000 2.557 447 M HA -0.057 4.424 4.480 0.001 0.000 0.259 447 M C 1.458 177.766 176.300 0.013 0.000 1.086 447 M CA 0.885 56.191 55.300 0.011 0.000 1.096 447 M CB -0.013 32.593 32.600 0.010 0.000 1.424 447 M HN 0.456 nan 8.290 nan 0.000 0.488 448 E N -0.300 119.907 120.200 0.012 0.000 2.371 448 E HA -0.034 4.317 4.350 0.001 0.000 0.194 448 E C 1.977 178.584 176.600 0.012 0.000 1.012 448 E CA 0.567 56.974 56.400 0.012 0.000 0.860 448 E CB 0.063 29.769 29.700 0.009 0.000 0.811 448 E HN 0.505 nan 8.360 nan 0.000 0.502 449 A N 2.272 125.099 122.820 0.012 0.000 1.908 449 A HA -0.137 4.184 4.320 0.001 0.000 0.218 449 A C -0.345 177.247 177.584 0.014 0.000 1.181 449 A CA 1.226 53.270 52.037 0.011 0.000 0.627 449 A CB -1.399 17.608 19.000 0.012 0.000 0.818 449 A HN 0.136 nan 8.150 nan 0.000 0.445 450 P HA -0.186 nan 4.420 nan 0.000 0.213 450 P C 1.832 179.145 177.300 0.021 0.000 1.170 450 P CA 0.951 64.062 63.100 0.019 0.000 0.902 450 P CB -0.169 31.543 31.700 0.021 0.000 0.789 451 L N 0.072 121.308 121.223 0.023 0.000 2.043 451 L HA -0.216 4.124 4.340 0.001 0.000 0.212 451 L C 2.132 179.011 176.870 0.014 0.000 1.075 451 L CA 2.171 57.028 54.840 0.027 0.000 0.752 451 L CB -0.970 41.107 42.059 0.029 0.000 0.891 451 L HN -0.017 nan 8.230 nan 0.000 0.432 452 R N -0.914 119.590 120.500 0.006 0.000 2.105 452 R HA -0.187 4.154 4.340 0.001 0.000 0.239 452 R C 2.220 178.520 176.300 0.000 0.000 1.135 452 R CA 1.334 57.432 56.100 -0.003 0.000 0.967 452 R CB -0.233 30.066 30.300 -0.002 0.000 0.861 452 R HN 0.468 nan 8.270 nan 0.000 0.442 453 Q N 0.517 120.321 119.800 0.008 0.000 2.137 453 Q HA 0.025 4.366 4.340 0.001 0.000 0.198 453 Q C 2.172 178.181 176.000 0.015 0.000 0.960 453 Q CA 1.006 56.815 55.803 0.010 0.000 0.847 453 Q CB 0.049 28.794 28.738 0.011 0.000 0.915 453 Q HN 0.396 nan 8.270 nan 0.000 0.448 454 I N -0.079 120.505 120.570 0.023 0.000 2.163 454 I HA -0.281 3.889 4.170 0.001 0.000 0.243 454 I C 2.156 178.300 176.117 0.045 0.000 1.085 454 I CA 0.994 62.315 61.300 0.035 0.000 1.347 454 I CB -0.216 37.812 38.000 0.047 0.000 1.044 454 I HN -0.020 nan 8.210 nan 0.000 0.408 455 V N 0.562 120.497 119.914 0.034 0.000 2.515 455 V HA -0.242 3.878 4.120 0.001 0.000 0.250 455 V C 2.203 178.301 176.094 0.006 0.000 1.058 455 V CA 1.518 63.826 62.300 0.014 0.000 1.064 455 V CB -0.296 31.485 31.823 -0.070 0.000 0.675 455 V HN 0.392 nan 8.190 nan 0.000 0.461 456 L N -0.143 121.082 121.223 0.004 0.000 2.270 456 L HA 0.049 4.390 4.340 0.001 0.000 0.210 456 L C 1.878 178.751 176.870 0.006 0.000 1.104 456 L CA 1.596 56.436 54.840 -0.000 0.000 0.804 456 L CB -0.572 41.486 42.059 -0.002 0.000 0.937 456 L HN 0.317 nan 8.230 nan 0.000 0.450 457 N N -1.691 117.016 118.700 0.011 0.000 2.512 457 N HA -0.128 4.612 4.740 0.001 0.000 0.183 457 N C 1.076 176.595 175.510 0.016 0.000 1.073 457 N CA 0.848 53.905 53.050 0.012 0.000 0.911 457 N CB -0.122 38.372 38.487 0.012 0.000 0.964 457 N HN 0.387 nan 8.380 nan 0.000 0.447 458 C N 0.152 119.467 119.300 0.024 0.000 2.673 458 C HA 0.284 4.745 4.460 0.001 0.000 0.274 458 C C 1.704 176.707 174.990 0.022 0.000 1.276 458 C CA -0.105 58.931 59.018 0.030 0.000 1.701 458 C CB -1.107 26.671 27.740 0.062 0.000 1.836 458 C HN 0.630 nan 8.230 nan 0.000 0.596 459 G N 1.335 110.143 108.800 0.013 0.000 2.148 459 G HA2 -0.215 3.746 3.960 0.001 0.000 0.254 459 G HA3 -0.215 3.746 3.960 0.001 0.000 0.254 459 G C -0.271 174.632 174.900 0.005 0.000 0.981 459 G CA 0.236 45.340 45.100 0.008 0.000 0.670 459 G HN 0.630 nan 8.290 nan 0.000 0.528 460 E N 0.117 120.317 120.200 0.001 0.000 2.263 460 E HA 0.400 4.751 4.350 0.001 0.000 0.264 460 E C -0.209 176.371 176.600 -0.034 0.000 0.923 460 E CA -0.893 55.498 56.400 -0.015 0.000 0.802 460 E CB 0.978 30.666 29.700 -0.020 0.000 1.228 460 E HN 0.370 nan 8.360 nan 0.000 0.417 461 E N 2.562 122.737 120.200 -0.041 0.000 2.238 461 E HA 0.011 4.362 4.350 0.001 0.000 0.264 461 E C -1.967 174.598 176.600 -0.058 0.000 1.136 461 E CA -1.210 55.167 56.400 -0.038 0.000 0.929 461 E CB 0.466 30.149 29.700 -0.028 0.000 1.010 461 E HN 0.269 nan 8.360 nan 0.000 0.440 462 P HA -0.181 nan 4.420 nan 0.000 0.214 462 P C 1.577 178.849 177.300 -0.047 0.000 1.162 462 P CA 1.134 64.202 63.100 -0.052 0.000 0.874 462 P CB 0.113 31.796 31.700 -0.029 0.000 0.784 463 S N -0.289 115.393 115.700 -0.030 0.000 2.372 463 S HA -0.186 4.285 4.470 0.001 0.000 0.227 463 S C 2.081 176.664 174.600 -0.028 0.000 1.044 463 S CA 1.845 60.032 58.200 -0.023 0.000 1.050 463 S CB -1.992 61.199 63.200 -0.015 0.000 0.901 463 S HN -0.058 nan 8.310 nan 0.000 0.447 464 V N 1.578 121.472 119.914 -0.032 0.000 2.295 464 V HA -0.135 3.985 4.120 0.001 0.000 0.246 464 V C 2.639 178.712 176.094 -0.035 0.000 1.049 464 V CA 1.622 63.905 62.300 -0.028 0.000 1.024 464 V CB -0.809 31.003 31.823 -0.019 0.000 0.648 464 V HN 0.441 nan 8.190 nan 0.000 0.447 465 V N 0.246 120.114 119.914 -0.076 0.000 2.233 465 V HA -0.314 3.807 4.120 0.001 0.000 0.247 465 V C 2.736 178.809 176.094 -0.035 0.000 1.050 465 V CA 2.292 64.534 62.300 -0.097 0.000 1.010 465 V CB -1.215 30.398 31.823 -0.349 0.000 0.637 465 V HN 0.572 nan 8.190 nan 0.000 0.444 466 A N 0.219 123.016 122.820 -0.039 0.000 1.873 466 A HA -0.323 3.997 4.320 0.001 0.000 0.218 466 A C 2.029 179.610 177.584 -0.005 0.000 1.193 466 A CA 2.469 54.500 52.037 -0.010 0.000 0.629 466 A CB -0.965 18.030 19.000 -0.008 0.000 0.826 466 A HN 0.602 nan 8.150 nan 0.000 0.447 467 N N -0.440 118.251 118.700 -0.014 0.000 2.091 467 N HA -0.167 4.574 4.740 0.001 0.000 0.193 467 N C 1.951 177.449 175.510 -0.020 0.000 1.021 467 N CA 2.410 55.451 53.050 -0.014 0.000 0.862 467 N CB -0.740 37.736 38.487 -0.018 0.000 1.018 467 N HN 0.747 nan 8.380 nan 0.000 0.429 468 T N -2.343 112.182 114.554 -0.049 0.000 3.014 468 T HA 0.065 4.416 4.350 0.001 0.000 0.263 468 T C 1.946 176.623 174.700 -0.038 0.000 1.078 468 T CA 0.610 62.651 62.100 -0.099 0.000 1.135 468 T CB -0.418 68.295 68.868 -0.258 0.000 0.895 468 T HN -0.073 nan 8.240 nan 0.000 0.480 469 V N 1.746 121.660 119.914 -0.000 0.000 2.427 469 V HA -0.061 4.060 4.120 0.001 0.000 0.248 469 V C 2.685 178.853 176.094 0.123 0.000 1.051 469 V CA 1.711 64.059 62.300 0.080 0.000 1.048 469 V CB -0.524 31.340 31.823 0.068 0.000 0.666 469 V HN 0.518 nan 8.190 nan 0.000 0.456 470 K N 0.487 120.925 120.400 0.064 0.000 2.283 470 K HA -0.064 4.257 4.320 0.001 0.000 0.202 470 K C 2.129 178.756 176.600 0.045 0.000 1.048 470 K CA 1.147 57.465 56.287 0.051 0.000 0.948 470 K CB -0.471 32.045 32.500 0.027 0.000 0.742 470 K HN 0.557 nan 8.250 nan 0.000 0.458 471 G N 1.234 110.058 108.800 0.040 0.000 2.471 471 G HA2 -0.105 3.855 3.960 0.001 0.000 0.219 471 G HA3 -0.105 3.855 3.960 0.001 0.000 0.219 471 G C 0.780 175.675 174.900 -0.008 0.000 1.125 471 G CA 0.642 45.747 45.100 0.008 0.000 0.775 471 G HN 0.369 nan 8.290 nan 0.000 0.548 472 G N -0.987 107.848 108.800 0.058 0.000 2.543 472 G HA2 0.511 4.471 3.960 0.001 0.000 0.267 472 G HA3 0.511 4.471 3.960 0.001 0.000 0.267 472 G C -1.042 173.864 174.900 0.011 0.000 1.406 472 G CA -0.410 44.665 45.100 -0.042 0.000 1.048 472 G HN 0.122 nan 8.290 nan 0.000 0.548 473 D N -2.302 118.097 120.400 -0.001 0.000 2.579 473 D HA 0.508 5.149 4.640 0.001 0.000 0.257 473 D C 0.965 177.307 176.300 0.069 0.000 1.176 473 D CA 0.566 54.584 54.000 0.029 0.000 0.914 473 D CB 1.555 42.346 40.800 -0.015 0.000 1.431 473 D HN 0.827 nan 8.370 nan 0.000 0.454 474 G N 1.293 110.126 108.800 0.054 0.000 2.690 474 G HA2 -0.386 3.575 3.960 0.001 0.000 0.334 474 G HA3 -0.386 3.575 3.960 0.001 0.000 0.334 474 G C 0.386 175.338 174.900 0.087 0.000 1.250 474 G CA 0.711 45.846 45.100 0.058 0.000 0.994 474 G HN 0.647 nan 8.290 nan 0.000 0.549 475 N N 0.074 118.833 118.700 0.098 0.000 2.327 475 N HA 0.299 5.040 4.740 0.001 0.000 0.231 475 N C -0.230 175.380 175.510 0.166 0.000 1.130 475 N CA -0.238 52.876 53.050 0.106 0.000 0.845 475 N CB 0.270 38.801 38.487 0.075 0.000 1.073 475 N HN 0.455 nan 8.380 nan 0.000 0.496 476 Y N 1.061 121.389 120.300 0.046 0.000 2.335 476 Y HA 0.503 5.053 4.550 0.000 0.000 0.331 476 Y C 0.450 176.409 175.900 0.099 0.000 1.094 476 Y CA -0.222 57.919 58.100 0.067 0.000 1.253 476 Y CB 0.642 39.133 38.460 0.052 0.000 1.203 476 Y HN -0.032 nan 8.280 nan 0.000 0.508 477 G N 3.962 112.617 108.800 -0.241 0.000 2.721 477 G HA2 0.324 4.285 3.960 0.001 0.000 0.296 477 G HA3 0.324 4.285 3.960 0.001 0.000 0.296 477 G C -2.558 172.283 174.900 -0.099 0.000 1.383 477 G CA -0.875 44.150 45.100 -0.126 0.000 0.788 477 G HN 0.577 nan 8.290 nan 0.000 0.500 478 Y N 1.169 121.393 120.300 -0.126 0.000 2.364 478 Y HA 0.645 5.196 4.550 0.001 0.000 0.340 478 Y C -0.547 175.235 175.900 -0.196 0.000 0.975 478 Y CA -1.567 56.397 58.100 -0.226 0.000 1.089 478 Y CB 1.990 40.336 38.460 -0.191 0.000 1.192 478 Y HN 0.453 nan 8.280 nan 0.000 0.454 479 N N 4.742 122.959 118.700 -0.806 0.000 2.609 479 N HA 0.276 5.016 4.740 0.001 0.000 0.234 479 N C 0.253 175.250 175.510 -0.854 0.000 1.001 479 N CA 0.398 53.101 53.050 -0.578 0.000 0.926 479 N CB 1.329 39.604 38.487 -0.353 0.000 1.130 479 N HN 0.885 nan 8.380 nan 0.000 0.510 480 A N 3.637 126.114 122.820 -0.572 0.000 1.972 480 A HA -0.038 4.283 4.320 0.001 0.000 0.219 480 A C 2.051 179.497 177.584 -0.230 0.000 1.169 480 A CA 1.745 53.575 52.037 -0.345 0.000 0.635 480 A CB -0.614 18.365 19.000 -0.035 0.000 0.810 480 A HN 0.714 nan 8.150 nan 0.000 0.446 481 A N -0.269 122.432 122.820 -0.200 0.000 1.845 481 A HA -0.111 4.209 4.320 0.001 0.000 0.215 481 A C 2.430 179.924 177.584 -0.151 0.000 1.195 481 A CA 2.575 54.532 52.037 -0.133 0.000 0.616 481 A CB -1.269 17.669 19.000 -0.104 0.000 0.832 481 A HN 0.823 nan 8.150 nan 0.000 0.443 482 T N -4.253 110.180 114.554 -0.201 0.000 3.065 482 T HA 0.230 4.580 4.350 0.001 0.000 0.252 482 T C 0.452 175.028 174.700 -0.207 0.000 1.099 482 T CA 0.968 62.967 62.100 -0.169 0.000 1.063 482 T CB -0.132 68.645 68.868 -0.151 0.000 0.948 482 T HN 0.563 nan 8.240 nan 0.000 0.506 483 E N 1.114 121.103 120.200 -0.352 0.000 2.957 483 E HA -0.148 4.202 4.350 0.001 0.000 0.287 483 E C -0.212 176.199 176.600 -0.314 0.000 0.976 483 E CA 0.870 57.076 56.400 -0.324 0.000 0.907 483 E CB -1.234 28.416 29.700 -0.083 0.000 1.456 483 E HN 0.967 nan 8.360 nan 0.000 0.421 484 E N -1.121 118.813 120.200 -0.444 0.000 2.429 484 E HA 0.472 4.823 4.350 0.001 0.000 0.276 484 E C -0.684 175.690 176.600 -0.377 0.000 0.953 484 E CA -0.977 55.238 56.400 -0.309 0.000 0.787 484 E CB 0.919 30.566 29.700 -0.088 0.000 1.307 484 E HN 0.028 nan 8.360 nan 0.000 0.458 485 Y N -0.067 120.232 120.300 -0.002 0.000 2.295 485 Y HA 0.630 5.180 4.550 0.001 0.000 0.331 485 Y C 1.111 176.977 175.900 -0.057 0.000 1.311 485 Y CA 1.003 59.050 58.100 -0.087 0.000 1.430 485 Y CB 1.544 39.940 38.460 -0.107 0.000 1.339 485 Y HN 0.844 nan 8.280 nan 0.000 0.552 486 G N 0.268 109.094 108.800 0.045 0.000 2.320 486 G HA2 0.024 3.984 3.960 0.001 0.000 0.296 486 G HA3 0.024 3.984 3.960 0.001 0.000 0.296 486 G C -2.016 172.970 174.900 0.144 0.000 1.306 486 G CA -1.190 43.992 45.100 0.138 0.000 0.836 486 G HN 0.564 nan 8.290 nan 0.000 0.517 487 N N 0.961 119.746 118.700 0.141 0.000 2.408 487 N HA 0.121 4.861 4.740 0.001 0.000 0.257 487 N C 1.710 177.253 175.510 0.055 0.000 1.064 487 N CA -0.541 52.581 53.050 0.120 0.000 0.952 487 N CB 0.841 39.390 38.487 0.103 0.000 1.093 487 N HN 0.397 nan 8.380 nan 0.000 0.490 488 M N 3.632 123.257 119.600 0.042 0.000 2.080 488 M HA -0.167 4.314 4.480 0.001 0.000 0.260 488 M C 1.729 178.037 176.300 0.013 0.000 1.068 488 M CA 1.184 56.492 55.300 0.012 0.000 1.109 488 M CB -0.754 31.852 32.600 0.010 0.000 1.342 488 M HN 0.539 nan 8.290 nan 0.000 0.405 489 I N 0.571 121.155 120.570 0.024 0.000 2.264 489 I HA -0.266 3.905 4.170 0.001 0.000 0.248 489 I C 1.798 177.924 176.117 0.015 0.000 1.111 489 I CA 1.444 62.755 61.300 0.018 0.000 1.382 489 I CB -1.484 36.530 38.000 0.023 0.000 1.060 489 I HN 0.261 nan 8.210 nan 0.000 0.418 490 D N 0.721 121.133 120.400 0.020 0.000 2.183 490 D HA -0.079 4.562 4.640 0.001 0.000 0.203 490 D C 2.084 178.387 176.300 0.006 0.000 0.969 490 D CA 0.991 55.001 54.000 0.016 0.000 0.842 490 D CB -0.033 40.782 40.800 0.025 0.000 0.957 490 D HN 0.367 nan 8.370 nan 0.000 0.484 491 M N -0.762 118.838 119.600 -0.000 0.000 2.568 491 M HA 0.233 4.713 4.480 0.001 0.000 0.226 491 M C 1.010 177.299 176.300 -0.018 0.000 1.148 491 M CA 0.286 55.577 55.300 -0.015 0.000 1.007 491 M CB 0.572 33.152 32.600 -0.033 0.000 1.651 491 M HN -0.019 nan 8.290 nan 0.000 0.488 492 G N 2.172 110.967 108.800 -0.009 0.000 2.153 492 G HA2 -0.245 3.715 3.960 0.001 0.000 0.252 492 G HA3 -0.245 3.715 3.960 0.001 0.000 0.252 492 G C 0.070 174.963 174.900 -0.011 0.000 0.994 492 G CA -0.174 44.921 45.100 -0.008 0.000 0.698 492 G HN 0.577 nan 8.290 nan 0.000 0.521 493 I N 1.609 122.170 120.570 -0.014 0.000 2.257 493 I HA 0.328 4.498 4.170 0.001 0.000 0.290 493 I C 0.590 176.706 176.117 -0.003 0.000 1.137 493 I CA -0.310 60.981 61.300 -0.014 0.000 1.255 493 I CB 0.093 38.077 38.000 -0.025 0.000 1.485 493 I HN 0.020 nan 8.210 nan 0.000 0.534 494 L N 4.006 125.230 121.223 0.002 0.000 2.322 494 L HA 0.570 4.910 4.340 0.001 0.000 0.279 494 L C -0.435 176.441 176.870 0.009 0.000 1.036 494 L CA -0.848 53.996 54.840 0.007 0.000 0.807 494 L CB 1.319 43.383 42.059 0.009 0.000 1.226 494 L HN 0.307 nan 8.230 nan 0.000 0.433 495 D N 2.024 122.432 120.400 0.012 0.000 2.228 495 D HA 0.411 5.051 4.640 0.001 0.000 0.247 495 D C -2.528 173.782 176.300 0.016 0.000 0.995 495 D CA -1.531 52.478 54.000 0.015 0.000 0.903 495 D CB 1.960 42.769 40.800 0.016 0.000 1.205 495 D HN 0.207 nan 8.370 nan 0.000 0.459 496 P HA 0.128 nan 4.420 nan 0.000 0.281 496 P C 0.715 178.025 177.300 0.017 0.000 1.252 496 P CA -0.187 62.925 63.100 0.020 0.000 0.778 496 P CB 0.698 32.414 31.700 0.027 0.000 0.895 497 T N 2.764 117.326 114.554 0.013 0.000 2.565 497 T HA -0.307 4.043 4.350 0.001 0.000 0.265 497 T C 1.628 176.331 174.700 0.005 0.000 1.082 497 T CA 1.826 63.931 62.100 0.007 0.000 1.173 497 T CB -0.701 68.170 68.868 0.005 0.000 0.864 497 T HN 0.473 nan 8.240 nan 0.000 0.425 498 K N 0.878 121.283 120.400 0.009 0.000 2.077 498 K HA -0.207 4.113 4.320 0.001 0.000 0.213 498 K C 2.429 179.038 176.600 0.016 0.000 1.051 498 K CA 2.063 58.356 56.287 0.010 0.000 0.929 498 K CB -0.625 31.887 32.500 0.020 0.000 0.715 498 K HN 0.336 nan 8.250 nan 0.000 0.451 499 V N -0.002 119.929 119.914 0.029 0.000 2.295 499 V HA -0.202 3.918 4.120 0.001 0.000 0.246 499 V C 1.801 177.908 176.094 0.022 0.000 1.049 499 V CA 2.559 64.882 62.300 0.038 0.000 1.024 499 V CB -0.839 31.013 31.823 0.048 0.000 0.648 499 V HN 0.463 nan 8.190 nan 0.000 0.447 500 T N 0.580 115.141 114.554 0.013 0.000 2.720 500 T HA -0.172 4.178 4.350 0.001 0.000 0.268 500 T C 2.052 176.744 174.700 -0.012 0.000 1.037 500 T CA 1.988 64.091 62.100 0.006 0.000 1.144 500 T CB -0.429 68.443 68.868 0.007 0.000 0.864 500 T HN 0.526 nan 8.240 nan 0.000 0.444 501 R N 0.868 121.352 120.500 -0.026 0.000 2.070 501 R HA -0.045 4.296 4.340 0.001 0.000 0.233 501 R C 2.595 178.828 176.300 -0.113 0.000 1.137 501 R CA 1.686 57.752 56.100 -0.058 0.000 0.945 501 R CB -0.701 29.567 30.300 -0.053 0.000 0.845 501 R HN 0.272 nan 8.270 nan 0.000 0.430 502 S N 0.708 116.339 115.700 -0.115 0.000 2.348 502 S HA -0.131 4.340 4.470 0.001 0.000 0.221 502 S C 2.037 176.554 174.600 -0.137 0.000 1.033 502 S CA 1.277 59.345 58.200 -0.220 0.000 1.010 502 S CB -0.410 62.780 63.200 -0.017 0.000 0.891 502 S HN 0.566 nan 8.310 nan 0.000 0.442 503 A N 2.187 125.017 122.820 0.017 0.000 1.873 503 A HA -0.209 4.111 4.320 0.001 0.000 0.219 503 A C 2.115 179.705 177.584 0.010 0.000 1.269 503 A CA 1.918 53.990 52.037 0.058 0.000 0.671 503 A CB -1.265 17.762 19.000 0.044 0.000 0.842 503 A HN 0.463 nan 8.150 nan 0.000 0.460 504 L N -0.706 120.499 121.223 -0.030 0.000 1.971 504 L HA -0.303 4.037 4.340 0.001 0.000 0.215 504 L C 2.876 179.704 176.870 -0.071 0.000 1.072 504 L CA 2.620 57.439 54.840 -0.035 0.000 0.758 504 L CB -0.900 41.137 42.059 -0.036 0.000 0.889 504 L HN 0.605 nan 8.230 nan 0.000 0.433 505 Q N -1.366 118.331 119.800 -0.172 0.000 2.135 505 Q HA -0.258 4.083 4.340 0.001 0.000 0.204 505 Q C 1.963 177.872 176.000 -0.151 0.000 0.981 505 Q CA 1.964 57.638 55.803 -0.215 0.000 0.856 505 Q CB -0.189 28.330 28.738 -0.365 0.000 0.902 505 Q HN 0.537 nan 8.270 nan 0.000 0.425 506 Y N -0.500 119.807 120.300 0.013 0.000 2.286 506 Y HA -0.001 4.549 4.550 0.001 0.000 0.293 506 Y C 2.310 178.217 175.900 0.012 0.000 1.124 506 Y CA 0.570 58.678 58.100 0.013 0.000 1.178 506 Y CB -0.773 37.696 38.460 0.014 0.000 1.010 506 Y HN 0.092 nan 8.280 nan 0.000 0.536 507 A N 0.133 123.045 122.820 0.153 0.000 1.930 507 A HA -0.060 4.261 4.320 0.001 0.000 0.217 507 A C 2.466 180.092 177.584 0.069 0.000 1.175 507 A CA 1.699 53.794 52.037 0.095 0.000 0.627 507 A CB -1.106 17.932 19.000 0.064 0.000 0.815 507 A HN 0.359 nan 8.150 nan 0.000 0.443 508 A N -0.774 122.076 122.820 0.050 0.000 1.902 508 A HA -0.098 4.223 4.320 0.001 0.000 0.217 508 A C 2.466 180.075 177.584 0.043 0.000 1.181 508 A CA 2.132 54.188 52.037 0.033 0.000 0.623 508 A CB -0.953 18.054 19.000 0.012 0.000 0.818 508 A HN 0.542 nan 8.150 nan 0.000 0.443 509 S N -0.710 115.028 115.700 0.064 0.000 2.343 509 S HA -0.141 4.330 4.470 0.001 0.000 0.219 509 S C 1.951 176.589 174.600 0.064 0.000 1.033 509 S CA 1.810 60.054 58.200 0.073 0.000 1.014 509 S CB -0.542 62.730 63.200 0.120 0.000 0.915 509 S HN 0.295 nan 8.310 nan 0.000 0.435 510 V N 2.117 122.075 119.914 0.072 0.000 2.237 510 V HA -0.109 4.012 4.120 0.001 0.000 0.245 510 V C 2.871 178.989 176.094 0.040 0.000 1.046 510 V CA 1.894 64.225 62.300 0.051 0.000 1.007 510 V CB -1.362 30.489 31.823 0.046 0.000 0.638 510 V HN 0.623 nan 8.190 nan 0.000 0.445 511 A N 0.275 123.118 122.820 0.039 0.000 2.019 511 A HA -0.075 4.245 4.320 0.001 0.000 0.219 511 A C 2.346 179.945 177.584 0.026 0.000 1.164 511 A CA 1.796 53.851 52.037 0.030 0.000 0.644 511 A CB -1.180 17.836 19.000 0.027 0.000 0.805 511 A HN 0.558 nan 8.150 nan 0.000 0.449 512 G N 0.217 109.033 108.800 0.028 0.000 2.545 512 G HA2 -0.269 3.691 3.960 0.001 0.000 0.217 512 G HA3 -0.269 3.691 3.960 0.001 0.000 0.217 512 G C 1.533 176.447 174.900 0.023 0.000 1.218 512 G CA 1.181 46.295 45.100 0.024 0.000 0.787 512 G HN 0.439 nan 8.290 nan 0.000 0.571 513 L N -0.462 120.776 121.223 0.026 0.000 2.083 513 L HA -0.030 4.310 4.340 0.001 0.000 0.209 513 L C 2.949 179.832 176.870 0.022 0.000 1.083 513 L CA 1.270 56.124 54.840 0.024 0.000 0.752 513 L CB -0.228 41.846 42.059 0.025 0.000 0.899 513 L HN 0.310 nan 8.230 nan 0.000 0.433 514 M N 0.114 119.727 119.600 0.022 0.000 2.175 514 M HA -0.169 4.311 4.480 0.001 0.000 0.264 514 M C 2.077 178.388 176.300 0.018 0.000 1.063 514 M CA 1.606 56.918 55.300 0.020 0.000 1.119 514 M CB -0.044 32.569 32.600 0.021 0.000 1.377 514 M HN 0.263 nan 8.290 nan 0.000 0.415 515 I N -2.163 118.418 120.570 0.017 0.000 2.916 515 I HA -0.075 4.096 4.170 0.001 0.000 0.267 515 I C 1.357 177.483 176.117 0.015 0.000 1.263 515 I CA 1.192 62.501 61.300 0.014 0.000 1.471 515 I CB -1.199 36.809 38.000 0.013 0.000 1.089 515 I HN 0.263 nan 8.210 nan 0.000 0.468 516 T N -2.422 112.142 114.554 0.017 0.000 3.278 516 T HA 0.176 4.526 4.350 0.001 0.000 0.251 516 T C 0.636 175.349 174.700 0.022 0.000 1.039 516 T CA -0.287 61.824 62.100 0.019 0.000 0.935 516 T CB -0.788 68.091 68.868 0.019 0.000 1.034 516 T HN 0.175 nan 8.240 nan 0.000 0.575 517 T N 2.401 116.966 114.554 0.019 0.000 2.832 517 T HA 0.302 4.652 4.350 0.001 0.000 0.296 517 T C 0.743 175.458 174.700 0.025 0.000 0.968 517 T CA -0.196 61.916 62.100 0.020 0.000 1.107 517 T CB 1.395 70.270 68.868 0.013 0.000 0.916 517 T HN 0.408 nan 8.240 nan 0.000 0.517 518 E N 1.298 121.522 120.200 0.040 0.000 2.536 518 E HA 0.215 4.565 4.350 0.001 0.000 0.220 518 E C -0.195 176.463 176.600 0.098 0.000 0.876 518 E CA -0.134 56.308 56.400 0.070 0.000 1.190 518 E CB 0.541 30.290 29.700 0.083 0.000 1.191 518 E HN 0.579 nan 8.360 nan 0.000 0.557 519 C N 0.382 119.704 119.300 0.038 0.000 2.985 519 C HA 0.740 5.201 4.460 0.001 0.000 0.332 519 C C -1.585 173.348 174.990 -0.095 0.000 1.164 519 C CA -0.681 58.297 59.018 -0.067 0.000 1.347 519 C CB 0.425 28.164 27.740 -0.002 0.000 1.764 519 C HN 0.290 nan 8.230 nan 0.000 0.489 520 M N 4.467 123.980 119.600 -0.144 0.000 2.464 520 M HA 0.651 5.132 4.480 0.001 0.000 0.308 520 M C -1.194 175.146 176.300 0.067 0.000 1.127 520 M CA -0.613 54.695 55.300 0.014 0.000 0.913 520 M CB 2.286 34.950 32.600 0.107 0.000 1.689 520 M HN 0.449 nan 8.290 nan 0.000 0.445 521 V N 1.376 121.327 119.914 0.061 0.000 2.482 521 V HA 0.695 4.815 4.120 0.001 0.000 0.295 521 V C -0.405 175.677 176.094 -0.019 0.000 1.026 521 V CA -0.346 61.965 62.300 0.018 0.000 0.856 521 V CB 1.938 33.752 31.823 -0.015 0.000 1.001 521 V HN 0.970 nan 8.190 nan 0.000 0.424 522 T N 2.222 116.723 114.554 -0.089 0.000 2.778 522 T HA 0.463 4.814 4.350 0.001 0.000 0.293 522 T C -1.203 173.391 174.700 -0.177 0.000 1.144 522 T CA -0.493 61.498 62.100 -0.182 0.000 1.010 522 T CB 1.972 70.609 68.868 -0.385 0.000 1.325 522 T HN 0.578 nan 8.240 nan 0.000 0.515 523 D N 1.112 121.410 120.400 -0.169 0.000 2.360 523 D HA 0.355 4.995 4.640 0.001 0.000 0.242 523 D C 0.041 176.254 176.300 -0.145 0.000 1.184 523 D CA -0.022 53.900 54.000 -0.129 0.000 0.930 523 D CB 0.390 41.130 40.800 -0.099 0.000 1.161 523 D HN 0.374 nan 8.370 nan 0.000 0.447 524 L N 2.492 123.660 121.223 -0.092 0.000 2.397 524 L HA 0.246 4.586 4.340 0.001 0.000 0.271 524 L C -1.380 175.446 176.870 -0.073 0.000 1.148 524 L CA -1.520 53.275 54.840 -0.076 0.000 0.825 524 L CB 0.493 42.527 42.059 -0.041 0.000 1.117 524 L HN 0.358 nan 8.230 nan 0.000 0.456 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.069 63.100 -0.051 0.000 0.800 525 P CB 0.000 31.681 31.700 -0.031 0.000 0.726