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 1pf9_1_F DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV 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 0.000 177.575 177.584 -0.015 0.000 1.274 2 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 2 A CB 0.000 18.985 19.000 -0.024 0.000 0.831 3 A N 2.317 125.131 122.820 -0.010 0.000 2.531 3 A HA 0.536 4.856 4.320 -0.000 0.000 0.236 3 A C 0.226 177.803 177.584 -0.013 0.000 1.062 3 A CA 0.337 52.371 52.037 -0.006 0.000 0.760 3 A CB 0.003 19.003 19.000 0.000 0.000 0.995 3 A HN 0.617 nan 8.150 nan 0.000 0.501 4 K N 1.605 122.000 120.400 -0.008 0.000 2.208 4 K HA 0.387 4.707 4.320 -0.000 0.000 0.247 4 K C -1.235 175.371 176.600 0.010 0.000 0.953 4 K CA -0.728 55.550 56.287 -0.017 0.000 0.837 4 K CB 1.595 34.083 32.500 -0.021 0.000 1.131 4 K HN 0.680 nan 8.250 nan 0.000 0.431 5 D N 1.994 122.402 120.400 0.013 0.000 2.373 5 D HA 0.204 4.844 4.640 -0.000 0.000 0.227 5 D C -0.898 175.520 176.300 0.196 0.000 1.091 5 D CA -0.516 53.553 54.000 0.116 0.000 0.840 5 D CB 0.929 41.828 40.800 0.166 0.000 1.060 5 D HN 0.282 nan 8.370 nan 0.000 0.502 6 V N 1.360 121.338 119.914 0.108 0.000 2.483 6 V HA 0.662 4.782 4.120 -0.000 0.000 0.295 6 V C -0.341 175.663 176.094 -0.151 0.000 1.035 6 V CA -0.566 61.718 62.300 -0.026 0.000 0.896 6 V CB 1.527 33.246 31.823 -0.172 0.000 0.986 6 V HN 0.329 nan 8.190 nan 0.000 0.447 7 K N 3.887 124.109 120.400 -0.297 0.000 2.375 7 K HA 0.723 5.043 4.320 -0.000 0.000 0.249 7 K C -1.626 174.675 176.600 -0.497 0.000 0.942 7 K CA -0.470 55.566 56.287 -0.418 0.000 0.806 7 K CB 2.335 34.413 32.500 -0.704 0.000 1.227 7 K HN 0.723 nan 8.250 nan 0.000 0.430 8 F N 0.238 120.138 119.950 -0.083 0.000 2.556 8 F HA 0.434 4.961 4.527 0.000 0.000 0.327 8 F C 1.299 177.065 175.800 -0.056 0.000 1.059 8 F CA 0.147 58.120 58.000 -0.046 0.000 0.953 8 F CB 1.781 40.764 39.000 -0.029 0.000 1.227 8 F HN 0.808 nan 8.300 nan 0.000 0.478 9 G N 1.904 110.820 108.800 0.192 0.000 2.661 9 G HA2 -0.521 3.439 3.960 -0.000 0.000 0.327 9 G HA3 -0.521 3.439 3.960 -0.000 0.000 0.327 9 G C 0.965 175.884 174.900 0.033 0.000 1.320 9 G CA 1.267 46.422 45.100 0.090 0.000 0.997 9 G HN 0.918 nan 8.290 nan 0.000 0.543 10 N N 0.197 118.909 118.700 0.019 0.000 2.120 10 N HA -0.093 4.647 4.740 -0.000 0.000 0.188 10 N C 1.795 177.290 175.510 -0.024 0.000 1.024 10 N CA 2.260 55.309 53.050 -0.001 0.000 0.852 10 N CB -0.288 38.198 38.487 -0.001 0.000 1.003 10 N HN 0.535 nan 8.380 nan 0.000 0.424 11 D N 0.040 120.419 120.400 -0.034 0.000 2.177 11 D HA -0.229 4.411 4.640 -0.000 0.000 0.189 11 D C 1.862 178.079 176.300 -0.139 0.000 1.002 11 D CA 2.056 56.007 54.000 -0.082 0.000 0.845 11 D CB -0.854 39.894 40.800 -0.087 0.000 0.960 11 D HN 0.478 nan 8.370 nan 0.000 0.447 12 A N 0.345 123.073 122.820 -0.153 0.000 1.908 12 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 12 A C 2.204 179.736 177.584 -0.087 0.000 1.181 12 A CA 1.685 53.604 52.037 -0.198 0.000 0.627 12 A CB -0.437 18.473 19.000 -0.150 0.000 0.818 12 A HN 0.155 nan 8.150 nan 0.000 0.445 13 R N -0.879 119.597 120.500 -0.041 0.000 2.073 13 R HA -0.078 4.262 4.340 -0.000 0.000 0.234 13 R C 2.115 178.408 176.300 -0.012 0.000 1.134 13 R CA 1.446 57.539 56.100 -0.012 0.000 0.952 13 R CB -0.664 29.636 30.300 -0.001 0.000 0.850 13 R HN 0.380 nan 8.270 nan 0.000 0.433 14 V N 1.943 121.842 119.914 -0.024 0.000 2.282 14 V HA -0.320 3.800 4.120 -0.000 0.000 0.249 14 V C 2.310 178.396 176.094 -0.013 0.000 1.057 14 V CA 1.768 64.057 62.300 -0.018 0.000 1.032 14 V CB -0.397 31.411 31.823 -0.025 0.000 0.645 14 V HN 0.288 nan 8.190 nan 0.000 0.447 15 K N -0.552 119.830 120.400 -0.031 0.000 2.001 15 K HA -0.235 4.085 4.320 -0.000 0.000 0.214 15 K C 2.150 178.774 176.600 0.040 0.000 1.050 15 K CA 2.077 58.365 56.287 0.002 0.000 0.934 15 K CB -0.851 31.635 32.500 -0.024 0.000 0.718 15 K HN 0.428 nan 8.250 nan 0.000 0.443 16 M N 0.742 120.367 119.600 0.043 0.000 2.108 16 M HA -0.236 4.244 4.480 -0.000 0.000 0.257 16 M C 2.130 178.451 176.300 0.035 0.000 1.071 16 M CA 1.498 56.830 55.300 0.053 0.000 1.093 16 M CB -0.121 32.506 32.600 0.045 0.000 1.345 16 M HN 0.116 nan 8.290 nan 0.000 0.403 17 L N 0.316 121.552 121.223 0.022 0.000 2.072 17 L HA -0.138 4.202 4.340 -0.000 0.000 0.205 17 L C 2.242 179.122 176.870 0.018 0.000 1.079 17 L CA 1.761 56.611 54.840 0.018 0.000 0.752 17 L CB -0.593 41.472 42.059 0.011 0.000 0.906 17 L HN 0.222 nan 8.230 nan 0.000 0.436 18 R N -0.398 120.113 120.500 0.018 0.000 2.103 18 R HA -0.146 4.194 4.340 -0.000 0.000 0.242 18 R C 2.214 178.527 176.300 0.022 0.000 1.142 18 R CA 1.301 57.412 56.100 0.019 0.000 0.960 18 R CB -1.177 29.134 30.300 0.020 0.000 0.858 18 R HN 0.584 nan 8.270 nan 0.000 0.439 19 G N 0.836 109.654 108.800 0.030 0.000 2.511 19 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 19 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 19 G C 1.506 176.418 174.900 0.020 0.000 1.218 19 G CA 1.205 46.322 45.100 0.029 0.000 0.788 19 G HN 0.150 nan 8.290 nan 0.000 0.560 20 V N 1.533 121.459 119.914 0.021 0.000 2.278 20 V HA -0.350 3.770 4.120 -0.000 0.000 0.251 20 V C 2.533 178.635 176.094 0.014 0.000 1.062 20 V CA 2.460 64.770 62.300 0.017 0.000 1.038 20 V CB -0.995 30.838 31.823 0.018 0.000 0.646 20 V HN 0.483 nan 8.190 nan 0.000 0.447 21 N N -0.216 118.492 118.700 0.013 0.000 2.043 21 N HA -0.164 4.576 4.740 -0.000 0.000 0.193 21 N C 1.763 177.278 175.510 0.009 0.000 1.037 21 N CA 1.528 54.584 53.050 0.010 0.000 0.851 21 N CB -0.315 38.178 38.487 0.010 0.000 1.027 21 N HN 0.314 nan 8.380 nan 0.000 0.422 22 V N 1.858 121.778 119.914 0.009 0.000 2.282 22 V HA -0.225 3.895 4.120 -0.000 0.000 0.249 22 V C 2.238 178.335 176.094 0.005 0.000 1.057 22 V CA 1.341 63.645 62.300 0.007 0.000 1.032 22 V CB -0.689 31.138 31.823 0.007 0.000 0.645 22 V HN 0.392 nan 8.190 nan 0.000 0.447 23 L N 0.954 122.180 121.223 0.006 0.000 1.955 23 L HA -0.142 4.198 4.340 -0.000 0.000 0.213 23 L C 2.588 179.461 176.870 0.004 0.000 1.072 23 L CA 2.901 57.743 54.840 0.004 0.000 0.755 23 L CB -1.741 40.321 42.059 0.005 0.000 0.888 23 L HN 0.304 nan 8.230 nan 0.000 0.432 24 A N 0.115 122.939 122.820 0.007 0.000 1.884 24 A HA -0.301 4.019 4.320 -0.000 0.000 0.219 24 A C 1.895 179.483 177.584 0.006 0.000 1.197 24 A CA 2.284 54.325 52.037 0.007 0.000 0.637 24 A CB -1.076 17.930 19.000 0.010 0.000 0.827 24 A HN 0.619 nan 8.150 nan 0.000 0.450 25 D N 0.013 120.416 120.400 0.005 0.000 2.123 25 D HA -0.087 4.553 4.640 -0.000 0.000 0.196 25 D C 2.160 178.461 176.300 0.002 0.000 0.992 25 D CA 1.700 55.702 54.000 0.004 0.000 0.833 25 D CB -0.630 40.172 40.800 0.003 0.000 0.954 25 D HN 0.484 nan 8.370 nan 0.000 0.455 26 A N 0.456 123.276 122.820 0.000 0.000 1.972 26 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 26 A C 2.453 180.036 177.584 -0.002 0.000 1.169 26 A CA 1.242 53.278 52.037 -0.002 0.000 0.635 26 A CB -0.569 18.429 19.000 -0.004 0.000 0.810 26 A HN 0.180 nan 8.150 nan 0.000 0.446 27 V N -0.048 119.866 119.914 0.000 0.000 2.488 27 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 27 V C 2.336 178.431 176.094 0.003 0.000 1.046 27 V CA 1.907 64.208 62.300 0.001 0.000 1.053 27 V CB -0.587 31.237 31.823 0.002 0.000 0.679 27 V HN 0.498 nan 8.190 nan 0.000 0.458 28 K N 0.747 121.149 120.400 0.004 0.000 2.074 28 K HA -0.183 4.137 4.320 -0.000 0.000 0.209 28 K C 2.084 178.687 176.600 0.005 0.000 1.048 28 K CA 1.902 58.193 56.287 0.006 0.000 0.926 28 K CB -0.661 31.843 32.500 0.006 0.000 0.713 28 K HN 0.571 nan 8.250 nan 0.000 0.444 29 V N -0.123 119.793 119.914 0.003 0.000 2.828 29 V HA -0.169 3.951 4.120 -0.000 0.000 0.260 29 V C 1.905 178.000 176.094 0.002 0.000 1.101 29 V CA 2.084 64.385 62.300 0.002 0.000 1.123 29 V CB -1.468 30.355 31.823 -0.000 0.000 0.704 29 V HN 0.377 nan 8.190 nan 0.000 0.493 30 T N -2.375 112.180 114.554 0.002 0.000 3.206 30 T HA 0.399 4.749 4.350 -0.000 0.000 0.253 30 T C 0.131 174.833 174.700 0.005 0.000 1.042 30 T CA -0.279 61.822 62.100 0.002 0.000 0.931 30 T CB -0.048 68.820 68.868 0.001 0.000 1.029 30 T HN 0.352 nan 8.240 nan 0.000 0.564 31 L N 2.231 123.458 121.223 0.007 0.000 2.292 31 L HA 0.697 5.037 4.340 -0.000 0.000 0.284 31 L C 0.589 177.466 176.870 0.011 0.000 1.065 31 L CA 1.216 56.062 54.840 0.010 0.000 0.806 31 L CB 0.170 42.237 42.059 0.012 0.000 1.175 31 L HN 0.623 nan 8.230 nan 0.000 0.431 32 G N 4.696 113.502 108.800 0.009 0.000 2.757 32 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.638 32 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.638 32 G C -2.216 172.685 174.900 0.002 0.000 1.344 32 G CA -0.308 44.797 45.100 0.008 0.000 0.855 32 G HN 0.551 nan 8.290 nan 0.000 0.537 33 P HA -0.033 nan 4.420 nan 0.000 0.218 33 P C 1.052 178.346 177.300 -0.010 0.000 1.149 33 P CA 1.460 64.552 63.100 -0.013 0.000 0.817 33 P CB 0.046 31.729 31.700 -0.028 0.000 0.785 34 K N 0.410 120.808 120.400 -0.003 0.000 2.596 34 K HA 0.221 4.541 4.320 -0.000 0.000 0.211 34 K C 1.155 177.757 176.600 0.003 0.000 1.046 34 K CA -0.355 55.933 56.287 0.000 0.000 1.202 34 K CB -0.117 32.386 32.500 0.006 0.000 0.925 34 K HN 0.093 nan 8.250 nan 0.000 0.486 35 G N 1.077 109.878 108.800 0.002 0.000 2.664 35 G HA2 0.080 4.040 3.960 -0.000 0.000 0.242 35 G HA3 0.080 4.040 3.960 -0.000 0.000 0.242 35 G C -0.168 174.733 174.900 0.000 0.000 1.225 35 G CA -0.326 44.776 45.100 0.003 0.000 0.849 35 G HN 0.245 nan 8.290 nan 0.000 0.581 36 R N -0.087 120.413 120.500 0.000 0.000 2.930 36 R HA 0.339 4.679 4.340 -0.000 0.000 0.257 36 R C -0.612 175.687 176.300 -0.003 0.000 1.107 36 R CA -1.027 55.072 56.100 -0.002 0.000 0.999 36 R CB 1.388 31.687 30.300 -0.002 0.000 1.209 36 R HN 0.488 nan 8.270 nan 0.000 0.486 37 N N -0.038 118.659 118.700 -0.004 0.000 2.489 37 N HA 0.397 5.137 4.740 -0.000 0.000 0.284 37 N C -0.919 174.586 175.510 -0.008 0.000 1.158 37 N CA -0.378 52.668 53.050 -0.006 0.000 0.965 37 N CB 1.871 40.354 38.487 -0.007 0.000 1.195 37 N HN 0.112 nan 8.380 nan 0.000 0.506 38 V N 0.871 120.779 119.914 -0.010 0.000 2.715 38 V HA 0.423 4.543 4.120 -0.000 0.000 0.310 38 V C -0.119 175.965 176.094 -0.018 0.000 1.054 38 V CA -0.843 61.449 62.300 -0.013 0.000 0.928 38 V CB 2.166 33.982 31.823 -0.012 0.000 1.007 38 V HN 0.290 nan 8.190 nan 0.000 0.437 39 V N 5.369 125.270 119.914 -0.023 0.000 2.370 39 V HA 0.484 4.604 4.120 -0.000 0.000 0.283 39 V C -0.365 175.705 176.094 -0.041 0.000 1.023 39 V CA -0.435 61.847 62.300 -0.031 0.000 0.857 39 V CB 1.336 33.141 31.823 -0.031 0.000 0.985 39 V HN 0.624 nan 8.190 nan 0.000 0.443 40 L N 3.774 124.967 121.223 -0.051 0.000 2.287 40 L HA 0.548 4.888 4.340 -0.000 0.000 0.287 40 L C 0.094 176.898 176.870 -0.110 0.000 1.022 40 L CA -0.532 54.267 54.840 -0.069 0.000 0.814 40 L CB 1.334 43.357 42.059 -0.059 0.000 1.217 40 L HN 0.486 nan 8.230 nan 0.000 0.420 41 D N 3.015 123.341 120.400 -0.123 0.000 2.363 41 D HA 0.254 4.894 4.640 -0.000 0.000 0.240 41 D C -0.563 175.554 176.300 -0.304 0.000 1.236 41 D CA 0.250 54.150 54.000 -0.167 0.000 0.927 41 D CB 0.809 41.532 40.800 -0.127 0.000 1.150 41 D HN 0.396 nan 8.370 nan 0.000 0.458 42 K N 0.017 120.178 120.400 -0.400 0.000 2.616 42 K HA 0.146 4.466 4.320 -0.000 0.000 0.255 42 K C 0.729 176.989 176.600 -0.567 0.000 0.995 42 K CA -0.349 55.425 56.287 -0.855 0.000 0.860 42 K CB 1.398 33.327 32.500 -0.951 0.000 1.264 42 K HN 0.320 nan 8.250 nan 0.000 0.451 43 S N 2.849 118.305 115.700 -0.407 0.000 2.370 43 S HA -0.186 4.284 4.470 -0.000 0.000 0.226 43 S C 1.634 176.355 174.600 0.201 0.000 1.033 43 S CA 1.059 59.277 58.200 0.031 0.000 1.011 43 S CB -0.585 62.730 63.200 0.192 0.000 0.852 43 S HN 0.503 nan 8.310 nan 0.000 0.457 44 F N 2.859 122.805 119.950 -0.007 0.000 2.280 44 F HA 0.060 4.587 4.527 -0.000 0.000 0.302 44 F C 1.988 177.785 175.800 -0.005 0.000 1.247 44 F CA 0.541 58.538 58.000 -0.006 0.000 1.277 44 F CB -1.819 37.177 39.000 -0.007 0.000 0.903 44 F HN 0.503 nan 8.300 nan 0.000 0.576 45 G N -1.879 107.018 108.800 0.161 0.000 3.187 45 G HA2 0.590 4.550 3.960 -0.000 0.000 0.175 45 G HA3 0.590 4.550 3.960 -0.000 0.000 0.175 45 G C -0.935 173.963 174.900 -0.004 0.000 1.112 45 G CA -0.199 44.940 45.100 0.064 0.000 0.821 45 G HN 0.564 nan 8.290 nan 0.000 0.636 46 A N 0.789 123.609 122.820 -0.001 0.000 2.561 46 A HA 0.519 4.839 4.320 -0.000 0.000 0.234 46 A C -1.818 175.734 177.584 -0.054 0.000 1.055 46 A CA -0.122 51.901 52.037 -0.023 0.000 0.756 46 A CB -0.694 18.300 19.000 -0.009 0.000 0.986 46 A HN 0.347 nan 8.150 nan 0.000 0.505 47 P HA 0.219 nan 4.420 nan 0.000 0.272 47 P C -0.075 177.189 177.300 -0.060 0.000 1.254 47 P CA 0.051 63.097 63.100 -0.089 0.000 0.795 47 P CB 0.401 32.058 31.700 -0.072 0.000 1.022 48 T N 0.977 115.494 114.554 -0.062 0.000 2.807 48 T HA 0.549 4.899 4.350 -0.000 0.000 0.279 48 T C -0.115 174.567 174.700 -0.029 0.000 0.993 48 T CA -0.303 61.775 62.100 -0.036 0.000 0.970 48 T CB 0.025 68.873 68.868 -0.033 0.000 0.950 48 T HN 0.117 nan 8.240 nan 0.000 0.441 49 I N 2.953 123.512 120.570 -0.018 0.000 2.321 49 I HA 0.528 4.698 4.170 -0.000 0.000 0.291 49 I C 0.501 176.613 176.117 -0.009 0.000 0.998 49 I CA -0.348 60.944 61.300 -0.014 0.000 1.227 49 I CB 1.670 39.663 38.000 -0.012 0.000 1.368 49 I HN 0.441 nan 8.210 nan 0.000 0.466 50 T N 4.297 118.846 114.554 -0.009 0.000 2.894 50 T HA 0.324 4.674 4.350 -0.000 0.000 0.309 50 T C 0.028 174.725 174.700 -0.005 0.000 1.208 50 T CA -0.603 61.494 62.100 -0.005 0.000 1.016 50 T CB 1.796 70.661 68.868 -0.004 0.000 1.192 50 T HN 0.701 nan 8.240 nan 0.000 0.491 51 K N 1.311 121.710 120.400 -0.002 0.000 2.387 51 K HA 0.191 4.511 4.320 -0.000 0.000 0.203 51 K C -0.442 176.157 176.600 -0.001 0.000 1.030 51 K CA -0.101 56.185 56.287 -0.001 0.000 1.099 51 K CB 0.357 32.857 32.500 0.000 0.000 0.863 51 K HN 0.533 nan 8.250 nan 0.000 0.529 52 D N -0.492 119.906 120.400 -0.002 0.000 2.396 52 D HA 0.145 4.785 4.640 -0.000 0.000 0.225 52 D C 1.164 177.460 176.300 -0.007 0.000 1.121 52 D CA -0.161 53.836 54.000 -0.004 0.000 0.853 52 D CB 1.320 42.117 40.800 -0.005 0.000 1.043 52 D HN 0.173 nan 8.370 nan 0.000 0.500 53 G N 2.667 111.463 108.800 -0.006 0.000 2.513 53 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 53 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 53 G C 1.511 176.406 174.900 -0.009 0.000 1.160 53 G CA 0.947 46.044 45.100 -0.005 0.000 0.767 53 G HN 0.509 nan 8.290 nan 0.000 0.571 54 V N 0.383 120.288 119.914 -0.015 0.000 2.490 54 V HA -0.131 3.989 4.120 -0.000 0.000 0.250 54 V C 2.895 178.980 176.094 -0.015 0.000 1.061 54 V CA 2.777 65.065 62.300 -0.020 0.000 1.064 54 V CB -0.337 31.466 31.823 -0.033 0.000 0.670 54 V HN 0.343 nan 8.190 nan 0.000 0.461 55 S N -0.440 115.254 115.700 -0.011 0.000 2.355 55 S HA -0.148 4.322 4.470 -0.000 0.000 0.222 55 S C 1.850 176.446 174.600 -0.006 0.000 1.031 55 S CA 1.629 59.826 58.200 -0.006 0.000 0.993 55 S CB -0.135 63.063 63.200 -0.003 0.000 0.859 55 S HN 0.512 nan 8.310 nan 0.000 0.453 56 V N 2.068 121.977 119.914 -0.008 0.000 2.295 56 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 56 V C 2.626 178.715 176.094 -0.008 0.000 1.049 56 V CA 1.728 64.022 62.300 -0.009 0.000 1.024 56 V CB -1.297 30.521 31.823 -0.008 0.000 0.648 56 V HN 0.526 nan 8.190 nan 0.000 0.447 57 A N 0.611 123.427 122.820 -0.008 0.000 1.849 57 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 57 A C 2.266 179.846 177.584 -0.007 0.000 1.202 57 A CA 2.134 54.167 52.037 -0.007 0.000 0.629 57 A CB -0.686 18.308 19.000 -0.009 0.000 0.834 57 A HN 0.499 nan 8.150 nan 0.000 0.447 58 R N -0.326 120.170 120.500 -0.007 0.000 2.244 58 R HA -0.178 4.162 4.340 -0.000 0.000 0.252 58 R C 1.336 177.637 176.300 0.001 0.000 1.177 58 R CA 1.428 57.526 56.100 -0.003 0.000 1.004 58 R CB -0.519 29.781 30.300 0.001 0.000 0.873 58 R HN 0.576 nan 8.270 nan 0.000 0.469 59 E N 0.256 120.455 120.200 -0.002 0.000 2.385 59 E HA 0.079 4.429 4.350 -0.000 0.000 0.194 59 E C 0.640 177.236 176.600 -0.006 0.000 1.013 59 E CA 0.130 56.528 56.400 -0.004 0.000 0.866 59 E CB 0.242 29.933 29.700 -0.014 0.000 0.832 59 E HN 0.150 nan 8.360 nan 0.000 0.500 60 I N 2.207 122.774 120.570 -0.006 0.000 2.396 60 I HA 0.145 4.315 4.170 -0.000 0.000 0.289 60 I C 0.425 176.539 176.117 -0.005 0.000 1.056 60 I CA 0.154 61.451 61.300 -0.006 0.000 1.365 60 I CB 0.284 38.282 38.000 -0.004 0.000 1.407 60 I HN -0.045 nan 8.210 nan 0.000 0.509 61 E N 6.262 126.458 120.200 -0.005 0.000 2.308 61 E HA 0.523 4.873 4.350 -0.000 0.000 0.275 61 E C -1.882 174.714 176.600 -0.006 0.000 0.890 61 E CA -0.675 55.721 56.400 -0.006 0.000 0.754 61 E CB 2.213 31.909 29.700 -0.007 0.000 1.207 61 E HN 0.227 nan 8.360 nan 0.000 0.426 62 L N 2.942 124.161 121.223 -0.006 0.000 2.303 62 L HA 0.323 4.663 4.340 -0.000 0.000 0.266 62 L C 1.248 178.115 176.870 -0.005 0.000 1.011 62 L CA -0.115 54.724 54.840 -0.001 0.000 0.818 62 L CB 1.369 43.432 42.059 0.007 0.000 1.326 62 L HN 0.864 nan 8.230 nan 0.000 0.435 63 E N 0.003 120.203 120.200 0.000 0.000 2.086 63 E HA -0.108 4.242 4.350 -0.000 0.000 0.190 63 E C 0.223 176.823 176.600 -0.000 0.000 0.975 63 E CA 0.357 56.755 56.400 -0.002 0.000 0.813 63 E CB 0.183 29.885 29.700 0.002 0.000 0.768 63 E HN 0.629 nan 8.360 nan 0.000 0.457 64 D N 1.037 121.448 120.400 0.019 0.000 2.349 64 D HA -0.061 4.579 4.640 -0.000 0.000 0.266 64 D C 0.575 176.884 176.300 0.016 0.000 1.293 64 D CA 0.034 54.060 54.000 0.044 0.000 0.926 64 D CB 0.751 41.599 40.800 0.081 0.000 1.090 64 D HN 0.069 nan 8.370 nan 0.000 0.502 65 K N 3.343 123.709 120.400 -0.057 0.000 2.160 65 K HA -0.182 4.138 4.320 -0.000 0.000 0.206 65 K C 1.676 178.126 176.600 -0.248 0.000 1.047 65 K CA 1.137 57.306 56.287 -0.198 0.000 0.930 65 K CB -0.170 32.122 32.500 -0.347 0.000 0.720 65 K HN 0.506 nan 8.250 nan 0.000 0.450 66 F N 1.117 121.055 119.950 -0.020 0.000 2.179 66 F HA -0.017 4.510 4.527 -0.000 0.000 0.292 66 F C 2.376 178.166 175.800 -0.016 0.000 1.089 66 F CA 0.802 58.788 58.000 -0.023 0.000 1.295 66 F CB -0.380 38.605 39.000 -0.025 0.000 1.041 66 F HN 0.058 nan 8.300 nan 0.000 0.487 67 E N 0.121 120.428 120.200 0.179 0.000 2.118 67 E HA -0.264 4.086 4.350 -0.000 0.000 0.195 67 E C 1.837 178.469 176.600 0.054 0.000 0.992 67 E CA 1.312 57.769 56.400 0.095 0.000 0.804 67 E CB -0.277 29.465 29.700 0.069 0.000 0.741 67 E HN 0.273 nan 8.360 nan 0.000 0.458 68 N N 0.543 119.259 118.700 0.028 0.000 2.069 68 N HA -0.174 4.566 4.740 -0.000 0.000 0.191 68 N C 1.722 177.230 175.510 -0.002 0.000 1.031 68 N CA 1.451 54.501 53.050 -0.001 0.000 0.852 68 N CB -0.036 38.434 38.487 -0.029 0.000 1.018 68 N HN 0.069 nan 8.380 nan 0.000 0.423 69 M N -0.508 119.088 119.600 -0.006 0.000 2.106 69 M HA -0.113 4.367 4.480 -0.000 0.000 0.259 69 M C 2.161 178.474 176.300 0.022 0.000 1.068 69 M CA 1.830 57.130 55.300 -0.000 0.000 1.100 69 M CB -0.743 31.860 32.600 0.004 0.000 1.351 69 M HN 0.355 nan 8.290 nan 0.000 0.404 70 G N -0.120 108.705 108.800 0.041 0.000 2.491 70 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 70 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 70 G C 1.586 176.499 174.900 0.021 0.000 1.180 70 G CA 1.212 46.333 45.100 0.035 0.000 0.774 70 G HN 0.570 nan 8.290 nan 0.000 0.562 71 A N -0.411 122.420 122.820 0.017 0.000 1.902 71 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 71 A C 2.364 179.951 177.584 0.004 0.000 1.181 71 A CA 1.888 53.931 52.037 0.010 0.000 0.623 71 A CB -0.325 18.680 19.000 0.007 0.000 0.818 71 A HN 0.331 nan 8.150 nan 0.000 0.443 72 Q N -0.894 118.907 119.800 0.001 0.000 2.297 72 Q HA -0.012 4.328 4.340 -0.000 0.000 0.204 72 Q C 2.003 178.001 176.000 -0.003 0.000 0.962 72 Q CA 1.006 56.806 55.803 -0.005 0.000 0.879 72 Q CB -0.278 28.453 28.738 -0.012 0.000 0.947 72 Q HN 0.779 nan 8.270 nan 0.000 0.462 73 M N -0.344 119.258 119.600 0.003 0.000 2.102 73 M HA -0.115 4.365 4.480 -0.000 0.000 0.259 73 M C 2.253 178.558 176.300 0.008 0.000 1.083 73 M CA 1.144 56.448 55.300 0.006 0.000 1.141 73 M CB -0.384 32.224 32.600 0.013 0.000 1.318 73 M HN 0.019 nan 8.290 nan 0.000 0.421 74 V N -0.348 119.573 119.914 0.011 0.000 2.453 74 V HA -0.281 3.839 4.120 -0.000 0.000 0.252 74 V C 2.138 178.235 176.094 0.006 0.000 1.068 74 V CA 2.018 64.326 62.300 0.013 0.000 1.070 74 V CB -1.441 30.390 31.823 0.015 0.000 0.664 74 V HN 0.517 nan 8.190 nan 0.000 0.461 75 K N 0.586 120.986 120.400 -0.000 0.000 2.218 75 K HA -0.280 4.040 4.320 -0.000 0.000 0.205 75 K C 2.187 178.776 176.600 -0.020 0.000 1.046 75 K CA 2.024 58.306 56.287 -0.009 0.000 0.933 75 K CB -0.147 32.347 32.500 -0.009 0.000 0.728 75 K HN 0.702 nan 8.250 nan 0.000 0.454 76 E N 0.366 120.554 120.200 -0.019 0.000 2.371 76 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 76 E C 1.820 178.388 176.600 -0.054 0.000 1.012 76 E CA 0.524 56.900 56.400 -0.040 0.000 0.860 76 E CB 0.249 29.930 29.700 -0.031 0.000 0.811 76 E HN 0.293 nan 8.360 nan 0.000 0.502 77 V N -0.076 119.829 119.914 -0.014 0.000 2.283 77 V HA -0.119 4.001 4.120 -0.000 0.000 0.243 77 V C 2.233 178.315 176.094 -0.019 0.000 1.039 77 V CA 1.922 64.230 62.300 0.013 0.000 1.016 77 V CB -0.520 31.340 31.823 0.063 0.000 0.650 77 V HN 0.254 nan 8.190 nan 0.000 0.449 78 A N 0.056 122.868 122.820 -0.014 0.000 1.940 78 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 78 A C 2.626 180.178 177.584 -0.052 0.000 1.176 78 A CA 2.717 54.742 52.037 -0.020 0.000 0.631 78 A CB -1.150 17.842 19.000 -0.013 0.000 0.814 78 A HN 0.802 nan 8.150 nan 0.000 0.446 79 S N -1.102 114.554 115.700 -0.072 0.000 2.357 79 S HA -0.121 4.349 4.470 -0.000 0.000 0.221 79 S C 2.183 176.689 174.600 -0.157 0.000 1.031 79 S CA 1.437 59.581 58.200 -0.093 0.000 0.982 79 S CB -0.267 62.886 63.200 -0.078 0.000 0.853 79 S HN 0.433 nan 8.310 nan 0.000 0.458 80 K N 1.271 121.519 120.400 -0.255 0.000 2.025 80 K HA 0.078 4.398 4.320 -0.000 0.000 0.207 80 K C 2.386 178.656 176.600 -0.550 0.000 1.049 80 K CA 1.190 57.176 56.287 -0.501 0.000 0.933 80 K CB -1.037 30.979 32.500 -0.805 0.000 0.714 80 K HN 0.428 nan 8.250 nan 0.000 0.438 81 A N 2.104 124.717 122.820 -0.344 0.000 1.940 81 A HA -0.274 4.046 4.320 -0.000 0.000 0.221 81 A C 2.014 179.574 177.584 -0.039 0.000 1.190 81 A CA 2.277 54.304 52.037 -0.015 0.000 0.647 81 A CB -0.795 18.244 19.000 0.066 0.000 0.821 81 A HN 0.547 nan 8.150 nan 0.000 0.457 82 N N -1.052 117.592 118.700 -0.093 0.000 2.250 82 N HA -0.139 4.601 4.740 -0.000 0.000 0.181 82 N C 0.778 176.224 175.510 -0.108 0.000 1.017 82 N CA 1.230 54.222 53.050 -0.096 0.000 0.866 82 N CB -0.144 38.288 38.487 -0.093 0.000 0.985 82 N HN 0.374 nan 8.380 nan 0.000 0.429 83 D N 0.661 120.996 120.400 -0.108 0.000 2.264 83 D HA -0.036 4.604 4.640 -0.000 0.000 0.208 83 D C 1.644 177.925 176.300 -0.032 0.000 0.966 83 D CA 0.538 54.493 54.000 -0.075 0.000 0.864 83 D CB -0.026 40.722 40.800 -0.086 0.000 0.933 83 D HN 0.387 nan 8.370 nan 0.000 0.499 84 A N 0.401 123.208 122.820 -0.021 0.000 1.861 84 A HA 0.309 4.629 4.320 -0.000 0.000 0.212 84 A C 1.915 179.548 177.584 0.082 0.000 1.199 84 A CA 1.618 53.701 52.037 0.076 0.000 0.613 84 A CB 0.088 19.227 19.000 0.232 0.000 0.846 84 A HN 0.200 nan 8.150 nan 0.000 0.446 85 A N -2.686 120.165 122.820 0.052 0.000 2.653 85 A HA 0.474 4.794 4.320 -0.000 0.000 0.248 85 A C 1.446 179.018 177.584 -0.020 0.000 1.211 85 A CA 0.992 53.064 52.037 0.058 0.000 0.991 85 A CB -0.487 18.558 19.000 0.075 0.000 1.252 85 A HN 1.887 nan 8.150 nan 0.000 0.593 86 G N -0.064 108.642 108.800 -0.155 0.000 2.321 86 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.287 86 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.287 86 G C -0.163 174.639 174.900 -0.163 0.000 1.018 86 G CA 0.952 45.847 45.100 -0.342 0.000 0.855 86 G HN 0.694 nan 8.290 nan 0.000 0.507 87 D N -2.433 117.934 120.400 -0.054 0.000 2.653 87 D HA 0.524 5.164 4.640 -0.000 0.000 0.258 87 D C 0.839 177.145 176.300 0.011 0.000 1.252 87 D CA 0.815 54.809 54.000 -0.010 0.000 0.777 87 D CB 0.698 41.510 40.800 0.019 0.000 1.339 87 D HN 1.219 nan 8.370 nan 0.000 0.422 88 G N 0.492 109.302 108.800 0.016 0.000 2.143 88 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.249 88 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.249 88 G C 0.979 175.896 174.900 0.028 0.000 0.981 88 G CA 1.605 46.720 45.100 0.026 0.000 0.665 88 G HN 0.757 nan 8.290 nan 0.000 0.528 89 T N -2.615 111.948 114.554 0.014 0.000 2.788 89 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 89 T C 2.235 176.943 174.700 0.013 0.000 1.044 89 T CA 2.474 64.580 62.100 0.010 0.000 1.139 89 T CB -0.564 68.297 68.868 -0.010 0.000 0.867 89 T HN 0.339 nan 8.240 nan 0.000 0.454 90 T N 1.944 116.504 114.554 0.011 0.000 2.737 90 T HA -0.076 4.274 4.350 -0.000 0.000 0.265 90 T C 2.266 176.977 174.700 0.018 0.000 1.038 90 T CA 1.731 63.838 62.100 0.012 0.000 1.144 90 T CB -0.940 67.934 68.868 0.009 0.000 0.866 90 T HN 0.495 nan 8.240 nan 0.000 0.434 91 T N 2.341 116.907 114.554 0.021 0.000 2.607 91 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 91 T C 2.397 177.115 174.700 0.030 0.000 1.049 91 T CA 1.431 63.546 62.100 0.024 0.000 1.162 91 T CB -0.826 68.058 68.868 0.026 0.000 0.863 91 T HN 0.438 nan 8.240 nan 0.000 0.424 92 A N 1.434 124.278 122.820 0.040 0.000 1.870 92 A HA -0.265 4.055 4.320 -0.000 0.000 0.219 92 A C 2.563 180.172 177.584 0.042 0.000 1.224 92 A CA 2.790 54.859 52.037 0.054 0.000 0.650 92 A CB -1.640 17.408 19.000 0.080 0.000 0.836 92 A HN 0.508 nan 8.150 nan 0.000 0.454 93 T N -0.421 114.152 114.554 0.032 0.000 2.653 93 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 93 T C 1.858 176.571 174.700 0.022 0.000 1.035 93 T CA 1.808 63.922 62.100 0.024 0.000 1.154 93 T CB -0.600 68.278 68.868 0.015 0.000 0.862 93 T HN 0.193 nan 8.240 nan 0.000 0.441 94 V N 1.204 121.130 119.914 0.020 0.000 2.343 94 V HA -0.135 3.985 4.120 -0.000 0.000 0.247 94 V C 2.480 178.585 176.094 0.019 0.000 1.051 94 V CA 1.501 63.812 62.300 0.018 0.000 1.036 94 V CB -0.648 31.185 31.823 0.017 0.000 0.654 94 V HN 0.438 nan 8.190 nan 0.000 0.451 95 L N -0.208 121.028 121.223 0.022 0.000 2.046 95 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 95 L C 2.704 179.588 176.870 0.022 0.000 1.077 95 L CA 1.575 56.428 54.840 0.022 0.000 0.747 95 L CB -0.720 41.353 42.059 0.024 0.000 0.896 95 L HN 0.369 nan 8.230 nan 0.000 0.432 96 A N 0.193 123.030 122.820 0.027 0.000 1.855 96 A HA -0.292 4.028 4.320 -0.000 0.000 0.215 96 A C 2.186 179.783 177.584 0.022 0.000 1.191 96 A CA 1.751 53.805 52.037 0.028 0.000 0.613 96 A CB -0.731 18.289 19.000 0.033 0.000 0.829 96 A HN 0.517 nan 8.150 nan 0.000 0.442 97 Q N 0.085 119.897 119.800 0.019 0.000 2.217 97 Q HA -0.130 4.210 4.340 -0.000 0.000 0.209 97 Q C 1.742 177.751 176.000 0.014 0.000 0.988 97 Q CA 2.632 58.445 55.803 0.016 0.000 0.878 97 Q CB -0.472 28.274 28.738 0.014 0.000 0.909 97 Q HN 0.538 nan 8.270 nan 0.000 0.424 98 A N 0.448 123.276 122.820 0.015 0.000 1.878 98 A HA 0.065 4.385 4.320 -0.000 0.000 0.213 98 A C 2.114 179.705 177.584 0.012 0.000 1.192 98 A CA 0.944 52.989 52.037 0.012 0.000 0.619 98 A CB -0.451 18.556 19.000 0.012 0.000 0.837 98 A HN 0.443 nan 8.150 nan 0.000 0.446 99 I N -0.025 120.554 120.570 0.014 0.000 2.163 99 I HA -0.294 3.876 4.170 -0.000 0.000 0.243 99 I C 2.318 178.444 176.117 0.014 0.000 1.085 99 I CA 1.518 62.826 61.300 0.014 0.000 1.347 99 I CB -0.505 37.505 38.000 0.016 0.000 1.044 99 I HN 0.292 nan 8.210 nan 0.000 0.408 100 I N 0.421 121.001 120.570 0.016 0.000 2.127 100 I HA -0.292 3.878 4.170 -0.000 0.000 0.241 100 I C 2.635 178.760 176.117 0.013 0.000 1.075 100 I CA 1.707 63.016 61.300 0.015 0.000 1.334 100 I CB -0.691 37.319 38.000 0.017 0.000 1.040 100 I HN 0.228 nan 8.210 nan 0.000 0.405 101 T N 0.165 114.726 114.554 0.012 0.000 2.607 101 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 101 T C 1.878 176.583 174.700 0.009 0.000 1.049 101 T CA 1.554 63.660 62.100 0.010 0.000 1.162 101 T CB -0.253 68.620 68.868 0.009 0.000 0.863 101 T HN 0.254 nan 8.240 nan 0.000 0.424 102 E N 0.633 120.838 120.200 0.008 0.000 2.058 102 E HA -0.070 4.280 4.350 -0.000 0.000 0.194 102 E C 2.531 179.136 176.600 0.008 0.000 0.997 102 E CA 1.429 57.833 56.400 0.007 0.000 0.801 102 E CB -1.114 28.591 29.700 0.007 0.000 0.746 102 E HN 0.557 nan 8.360 nan 0.000 0.450 103 G N 1.213 110.018 108.800 0.009 0.000 2.459 103 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 103 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 103 G C 1.737 176.643 174.900 0.010 0.000 1.183 103 G CA 0.879 45.985 45.100 0.010 0.000 0.776 103 G HN 0.227 nan 8.290 nan 0.000 0.552 104 L N 0.081 121.310 121.223 0.010 0.000 2.127 104 L HA -0.081 4.259 4.340 -0.000 0.000 0.211 104 L C 2.837 179.712 176.870 0.007 0.000 1.089 104 L CA 1.480 56.326 54.840 0.010 0.000 0.757 104 L CB -0.355 41.710 42.059 0.009 0.000 0.899 104 L HN 0.267 nan 8.230 nan 0.000 0.434 105 K N 0.277 120.681 120.400 0.006 0.000 2.097 105 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 105 K C 2.073 178.676 176.600 0.005 0.000 1.049 105 K CA 1.257 57.547 56.287 0.005 0.000 0.933 105 K CB 0.004 32.506 32.500 0.004 0.000 0.717 105 K HN 0.282 nan 8.250 nan 0.000 0.442 106 A N 0.230 123.054 122.820 0.006 0.000 2.016 106 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 106 A C 2.069 179.656 177.584 0.006 0.000 1.162 106 A CA 0.839 52.879 52.037 0.005 0.000 0.662 106 A CB -0.185 18.818 19.000 0.006 0.000 0.812 106 A HN 0.136 nan 8.150 nan 0.000 0.450 107 V N -0.044 119.875 119.914 0.008 0.000 2.427 107 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 107 V C 2.965 179.063 176.094 0.007 0.000 1.051 107 V CA 1.796 64.101 62.300 0.009 0.000 1.048 107 V CB -1.097 30.733 31.823 0.011 0.000 0.666 107 V HN 0.573 nan 8.190 nan 0.000 0.456 108 A N -0.057 122.766 122.820 0.006 0.000 2.067 108 A HA 0.038 4.358 4.320 -0.000 0.000 0.219 108 A C 2.273 179.858 177.584 0.003 0.000 1.158 108 A CA 1.541 53.580 52.037 0.004 0.000 0.661 108 A CB -0.488 18.513 19.000 0.003 0.000 0.801 108 A HN 0.564 nan 8.150 nan 0.000 0.452 109 A N -1.733 121.089 122.820 0.003 0.000 2.167 109 A HA 0.387 4.707 4.320 -0.000 0.000 0.214 109 A C 1.759 179.344 177.584 0.002 0.000 1.151 109 A CA 1.315 53.353 52.037 0.002 0.000 0.735 109 A CB -0.729 18.272 19.000 0.002 0.000 0.802 109 A HN 1.820 nan 8.150 nan 0.000 0.467 110 G N -2.103 106.698 108.800 0.003 0.000 2.134 110 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.209 110 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.209 110 G C 0.110 175.012 174.900 0.003 0.000 0.993 110 G CA 0.192 45.294 45.100 0.002 0.000 0.669 110 G HN 0.349 nan 8.290 nan 0.000 0.519 111 M N 0.397 120.000 119.600 0.004 0.000 2.202 111 M HA 0.343 4.823 4.480 -0.000 0.000 0.316 111 M C 0.753 177.057 176.300 0.007 0.000 1.138 111 M CA -0.496 54.807 55.300 0.005 0.000 1.151 111 M CB 0.441 33.044 32.600 0.005 0.000 1.422 111 M HN 0.205 nan 8.290 nan 0.000 0.471 112 N N 1.686 120.390 118.700 0.007 0.000 2.406 112 N HA 0.236 4.976 4.740 -0.000 0.000 0.251 112 N C -2.327 173.189 175.510 0.010 0.000 1.069 112 N CA -1.961 51.094 53.050 0.008 0.000 0.947 112 N CB 0.943 39.434 38.487 0.007 0.000 1.111 112 N HN 0.165 nan 8.380 nan 0.000 0.497 113 P HA -0.158 nan 4.420 nan 0.000 0.216 113 P C 1.528 178.836 177.300 0.014 0.000 1.150 113 P CA 1.145 64.253 63.100 0.014 0.000 0.843 113 P CB 0.162 31.872 31.700 0.017 0.000 0.787 114 M N -0.760 118.848 119.600 0.014 0.000 2.213 114 M HA -0.136 4.344 4.480 -0.000 0.000 0.263 114 M C 1.297 177.604 176.300 0.011 0.000 1.062 114 M CA 1.673 56.981 55.300 0.013 0.000 1.105 114 M CB -1.468 31.140 32.600 0.013 0.000 1.385 114 M HN -0.047 nan 8.290 nan 0.000 0.417 115 D N -0.109 120.297 120.400 0.009 0.000 2.162 115 D HA -0.018 4.622 4.640 -0.000 0.000 0.203 115 D C 2.231 178.536 176.300 0.008 0.000 0.967 115 D CA 0.718 54.723 54.000 0.008 0.000 0.840 115 D CB -0.049 40.755 40.800 0.007 0.000 0.972 115 D HN 0.306 nan 8.370 nan 0.000 0.482 116 L N 0.791 122.019 121.223 0.009 0.000 2.042 116 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 116 L C 2.491 179.367 176.870 0.009 0.000 1.076 116 L CA 1.210 56.055 54.840 0.008 0.000 0.749 116 L CB -0.315 41.750 42.059 0.009 0.000 0.893 116 L HN 0.024 nan 8.230 nan 0.000 0.432 117 K N 0.362 120.768 120.400 0.010 0.000 1.991 117 K HA -0.206 4.114 4.320 -0.000 0.000 0.212 117 K C 2.264 178.869 176.600 0.009 0.000 1.049 117 K CA 1.426 57.720 56.287 0.011 0.000 0.932 117 K CB -0.089 32.419 32.500 0.013 0.000 0.717 117 K HN 0.124 nan 8.250 nan 0.000 0.441 118 R N -0.196 120.309 120.500 0.008 0.000 2.119 118 R HA -0.171 4.169 4.340 -0.000 0.000 0.246 118 R C 2.461 178.764 176.300 0.005 0.000 1.146 118 R CA 1.611 57.715 56.100 0.006 0.000 0.962 118 R CB -0.859 29.445 30.300 0.006 0.000 0.863 118 R HN 0.507 nan 8.270 nan 0.000 0.442 119 G N 1.393 110.196 108.800 0.005 0.000 2.433 119 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 119 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 119 G C 1.509 176.411 174.900 0.003 0.000 1.186 119 G CA 0.697 45.800 45.100 0.004 0.000 0.779 119 G HN 0.170 nan 8.290 nan 0.000 0.543 120 I N 1.129 121.701 120.570 0.005 0.000 2.151 120 I HA -0.193 3.977 4.170 -0.000 0.000 0.243 120 I C 2.379 178.497 176.117 0.002 0.000 1.080 120 I CA 1.550 62.853 61.300 0.004 0.000 1.339 120 I CB -0.145 37.860 38.000 0.007 0.000 1.039 120 I HN 0.067 nan 8.210 nan 0.000 0.409 121 D N 0.440 120.841 120.400 0.002 0.000 2.117 121 D HA -0.201 4.439 4.640 -0.000 0.000 0.198 121 D C 2.079 178.377 176.300 -0.004 0.000 0.982 121 D CA 1.162 55.162 54.000 -0.001 0.000 0.828 121 D CB -0.213 40.588 40.800 0.001 0.000 0.967 121 D HN 0.287 nan 8.370 nan 0.000 0.464 122 K N 0.984 121.383 120.400 -0.001 0.000 2.032 122 K HA -0.142 4.178 4.320 -0.000 0.000 0.209 122 K C 2.054 178.652 176.600 -0.003 0.000 1.048 122 K CA 1.536 57.821 56.287 -0.002 0.000 0.927 122 K CB -0.148 32.352 32.500 -0.000 0.000 0.712 122 K HN 0.003 nan 8.250 nan 0.000 0.441 123 A N 0.512 123.331 122.820 -0.002 0.000 1.927 123 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 123 A C 2.280 179.861 177.584 -0.005 0.000 1.185 123 A CA 2.096 54.132 52.037 -0.002 0.000 0.639 123 A CB -0.806 18.194 19.000 -0.000 0.000 0.820 123 A HN 0.216 nan 8.150 nan 0.000 0.451 124 V N -0.541 119.368 119.914 -0.008 0.000 2.323 124 V HA -0.185 3.935 4.120 -0.000 0.000 0.244 124 V C 2.720 178.803 176.094 -0.019 0.000 1.041 124 V CA 2.325 64.616 62.300 -0.015 0.000 1.025 124 V CB -1.217 30.594 31.823 -0.020 0.000 0.656 124 V HN 0.633 nan 8.190 nan 0.000 0.451 125 T N 0.727 115.271 114.554 -0.017 0.000 2.737 125 T HA -0.243 4.107 4.350 -0.000 0.000 0.269 125 T C 1.991 176.682 174.700 -0.014 0.000 1.040 125 T CA 1.721 63.811 62.100 -0.017 0.000 1.142 125 T CB -0.437 68.424 68.868 -0.012 0.000 0.861 125 T HN 0.567 nan 8.240 nan 0.000 0.456 126 A N 1.457 124.272 122.820 -0.010 0.000 1.873 126 A HA 0.278 4.598 4.320 -0.000 0.000 0.215 126 A C 2.720 180.300 177.584 -0.007 0.000 1.186 126 A CA 1.629 53.662 52.037 -0.007 0.000 0.616 126 A CB -1.198 17.800 19.000 -0.004 0.000 0.823 126 A HN 0.507 nan 8.150 nan 0.000 0.442 127 A N -0.465 122.350 122.820 -0.008 0.000 1.908 127 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 127 A C 2.214 179.791 177.584 -0.011 0.000 1.181 127 A CA 1.974 54.006 52.037 -0.008 0.000 0.627 127 A CB -0.942 18.053 19.000 -0.009 0.000 0.818 127 A HN 0.416 nan 8.150 nan 0.000 0.445 128 V N -0.155 119.748 119.914 -0.018 0.000 2.427 128 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 128 V C 2.586 178.671 176.094 -0.015 0.000 1.051 128 V CA 2.049 64.336 62.300 -0.022 0.000 1.048 128 V CB -0.695 31.108 31.823 -0.034 0.000 0.666 128 V HN 0.456 nan 8.190 nan 0.000 0.456 129 E N -0.002 120.191 120.200 -0.011 0.000 2.051 129 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 129 E C 2.322 178.920 176.600 -0.003 0.000 0.991 129 E CA 1.004 57.399 56.400 -0.007 0.000 0.799 129 E CB -0.345 29.352 29.700 -0.005 0.000 0.748 129 E HN 0.495 nan 8.360 nan 0.000 0.449 130 E N 0.477 120.676 120.200 -0.003 0.000 2.070 130 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 130 E C 2.399 179.000 176.600 0.002 0.000 1.004 130 E CA 0.661 57.061 56.400 0.001 0.000 0.805 130 E CB -0.428 29.274 29.700 0.002 0.000 0.744 130 E HN 0.276 nan 8.360 nan 0.000 0.451 131 L N 0.669 121.892 121.223 -0.000 0.000 2.012 131 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 131 L C 2.458 179.330 176.870 0.002 0.000 1.073 131 L CA 1.439 56.279 54.840 0.001 0.000 0.748 131 L CB -0.379 41.678 42.059 -0.003 0.000 0.891 131 L HN 0.058 nan 8.230 nan 0.000 0.431 132 K N -0.234 120.165 120.400 -0.001 0.000 2.280 132 K HA -0.125 4.195 4.320 -0.000 0.000 0.202 132 K C 2.071 178.673 176.600 0.003 0.000 1.047 132 K CA 1.112 57.399 56.287 0.000 0.000 0.942 132 K CB -0.143 32.356 32.500 -0.002 0.000 0.739 132 K HN 0.335 nan 8.250 nan 0.000 0.457 133 A N 0.646 123.468 122.820 0.003 0.000 1.935 133 A HA -0.039 4.281 4.320 -0.000 0.000 0.214 133 A C 1.905 179.493 177.584 0.007 0.000 1.178 133 A CA 0.738 52.778 52.037 0.005 0.000 0.640 133 A CB -0.149 18.854 19.000 0.004 0.000 0.825 133 A HN 0.096 nan 8.150 nan 0.000 0.447 134 L N -0.033 121.195 121.223 0.009 0.000 2.291 134 L HA 0.086 4.426 4.340 -0.000 0.000 0.214 134 L C 1.467 178.344 176.870 0.012 0.000 1.120 134 L CA 0.835 55.682 54.840 0.012 0.000 0.799 134 L CB -0.469 41.599 42.059 0.015 0.000 0.925 134 L HN 0.253 nan 8.230 nan 0.000 0.446 135 S N -0.379 115.327 115.700 0.010 0.000 2.525 135 S HA 0.262 4.732 4.470 -0.000 0.000 0.285 135 S C -0.235 174.372 174.600 0.010 0.000 1.283 135 S CA -0.411 57.796 58.200 0.010 0.000 1.072 135 S CB 0.047 63.253 63.200 0.009 0.000 0.867 135 S HN 0.121 nan 8.310 nan 0.000 0.492 136 V N 4.219 124.140 119.914 0.011 0.000 2.581 136 V HA 0.730 4.850 4.120 -0.000 0.000 0.303 136 V C -2.768 173.332 176.094 0.010 0.000 1.041 136 V CA -2.827 59.480 62.300 0.011 0.000 0.907 136 V CB 1.093 32.923 31.823 0.012 0.000 0.994 136 V HN 0.599 nan 8.190 nan 0.000 0.442 137 P HA 0.186 nan 4.420 nan 0.000 0.268 137 P C -0.556 176.750 177.300 0.009 0.000 1.205 137 P CA -0.038 63.067 63.100 0.009 0.000 0.771 137 P CB 0.448 32.152 31.700 0.007 0.000 0.858 138 C N 3.533 122.838 119.300 0.009 0.000 2.225 138 C HA 0.515 4.975 4.460 -0.000 0.000 0.323 138 C C 1.348 176.342 174.990 0.007 0.000 1.164 138 C CA 0.536 59.559 59.018 0.009 0.000 1.565 138 C CB -1.349 26.397 27.740 0.011 0.000 2.124 138 C HN 0.703 nan 8.230 nan 0.000 0.461 139 S N 2.419 118.122 115.700 0.006 0.000 2.727 139 S HA 0.174 4.644 4.470 -0.000 0.000 0.249 139 S C -0.035 174.567 174.600 0.004 0.000 1.079 139 S CA 0.268 58.471 58.200 0.005 0.000 0.912 139 S CB -0.462 62.741 63.200 0.004 0.000 0.861 139 S HN 0.847 nan 8.310 nan 0.000 0.484 140 D N 1.580 121.983 120.400 0.004 0.000 2.344 140 D HA 0.453 5.093 4.640 -0.000 0.000 0.244 140 D C 0.937 177.239 176.300 0.003 0.000 1.134 140 D CA -0.253 53.748 54.000 0.003 0.000 0.930 140 D CB 0.817 41.619 40.800 0.003 0.000 1.175 140 D HN -0.024 nan 8.370 nan 0.000 0.437 141 S N -0.125 115.576 115.700 0.002 0.000 2.399 141 S HA -0.197 4.273 4.470 -0.000 0.000 0.231 141 S C 1.578 176.179 174.600 0.002 0.000 1.022 141 S CA 1.117 59.318 58.200 0.001 0.000 0.983 141 S CB -0.365 62.835 63.200 0.000 0.000 0.803 141 S HN 0.630 nan 8.310 nan 0.000 0.480 142 K N 1.173 121.575 120.400 0.002 0.000 2.026 142 K HA -0.060 4.260 4.320 -0.000 0.000 0.208 142 K C 2.183 178.785 176.600 0.003 0.000 1.048 142 K CA 1.281 57.569 56.287 0.002 0.000 0.929 142 K CB -0.395 32.106 32.500 0.002 0.000 0.713 142 K HN 0.284 nan 8.250 nan 0.000 0.439 143 A N 1.705 124.527 122.820 0.004 0.000 1.877 143 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 143 A C 2.142 179.730 177.584 0.006 0.000 1.186 143 A CA 1.519 53.559 52.037 0.005 0.000 0.620 143 A CB -0.620 18.384 19.000 0.007 0.000 0.822 143 A HN 0.371 nan 8.150 nan 0.000 0.443 144 I N -0.150 120.423 120.570 0.005 0.000 2.151 144 I HA -0.349 3.821 4.170 -0.000 0.000 0.243 144 I C 2.987 179.108 176.117 0.005 0.000 1.080 144 I CA 1.294 62.598 61.300 0.006 0.000 1.339 144 I CB -0.477 37.525 38.000 0.004 0.000 1.039 144 I HN 0.385 nan 8.210 nan 0.000 0.409 145 A N -0.102 122.720 122.820 0.003 0.000 1.978 145 A HA -0.285 4.035 4.320 -0.000 0.000 0.220 145 A C 2.221 179.807 177.584 0.003 0.000 1.170 145 A CA 1.763 53.802 52.037 0.003 0.000 0.636 145 A CB -0.597 18.403 19.000 0.001 0.000 0.810 145 A HN 0.498 nan 8.150 nan 0.000 0.448 146 Q N -0.913 118.889 119.800 0.003 0.000 2.079 146 Q HA -0.081 4.259 4.340 -0.000 0.000 0.200 146 Q C 2.254 178.257 176.000 0.005 0.000 0.974 146 Q CA 1.666 57.470 55.803 0.002 0.000 0.840 146 Q CB -0.305 28.434 28.738 0.002 0.000 0.898 146 Q HN 0.688 nan 8.270 nan 0.000 0.430 147 V N -0.934 118.985 119.914 0.008 0.000 2.323 147 V HA -0.062 4.058 4.120 -0.000 0.000 0.244 147 V C 1.884 177.987 176.094 0.015 0.000 1.041 147 V CA 2.252 64.559 62.300 0.013 0.000 1.025 147 V CB -1.121 30.712 31.823 0.017 0.000 0.656 147 V HN 0.391 nan 8.190 nan 0.000 0.451 148 G N -0.077 108.731 108.800 0.014 0.000 2.529 148 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.219 148 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.219 148 G C 1.634 176.541 174.900 0.012 0.000 1.177 148 G CA 1.901 47.009 45.100 0.014 0.000 0.773 148 G HN 0.511 nan 8.290 nan 0.000 0.573 149 T N 0.872 115.430 114.554 0.006 0.000 2.684 149 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 149 T C 2.356 177.057 174.700 0.002 0.000 1.036 149 T CA 1.259 63.360 62.100 0.002 0.000 1.148 149 T CB -0.185 68.682 68.868 -0.002 0.000 0.863 149 T HN 0.142 nan 8.240 nan 0.000 0.436 150 I N 0.672 121.243 120.570 0.002 0.000 2.315 150 I HA -0.104 4.066 4.170 -0.000 0.000 0.248 150 I C 2.612 178.732 176.117 0.006 0.000 1.117 150 I CA 0.907 62.208 61.300 0.001 0.000 1.404 150 I CB -0.317 37.683 38.000 0.000 0.000 1.071 150 I HN 0.134 nan 8.210 nan 0.000 0.419 151 S N 0.161 115.868 115.700 0.013 0.000 2.383 151 S HA -0.019 4.451 4.470 -0.000 0.000 0.227 151 S C 1.768 176.378 174.600 0.017 0.000 1.026 151 S CA 0.943 59.154 58.200 0.019 0.000 0.981 151 S CB -0.310 62.908 63.200 0.030 0.000 0.818 151 S HN 0.441 nan 8.310 nan 0.000 0.472 152 A N 1.347 124.175 122.820 0.014 0.000 2.840 152 A HA 0.349 4.669 4.320 -0.000 0.000 0.269 152 A C 0.590 178.178 177.584 0.006 0.000 1.439 152 A CA -0.008 52.036 52.037 0.012 0.000 1.083 152 A CB -1.469 17.538 19.000 0.012 0.000 1.019 152 A HN 0.771 nan 8.150 nan 0.000 0.607 153 N N 0.271 118.974 118.700 0.004 0.000 2.716 153 N HA -0.247 4.493 4.740 -0.000 0.000 0.250 153 N C -0.071 175.436 175.510 -0.006 0.000 1.033 153 N CA 0.497 53.546 53.050 -0.001 0.000 0.727 153 N CB -0.725 37.762 38.487 -0.001 0.000 0.950 153 N HN 0.513 nan 8.380 nan 0.000 0.541 154 S N -0.919 114.777 115.700 -0.007 0.000 3.808 154 S HA -0.172 4.298 4.470 -0.000 0.000 0.312 154 S C -0.661 173.934 174.600 -0.009 0.000 1.134 154 S CA 0.699 58.892 58.200 -0.012 0.000 0.884 154 S CB -0.796 62.392 63.200 -0.019 0.000 0.918 154 S HN 0.638 nan 8.310 nan 0.000 0.523 155 D N 1.309 121.707 120.400 -0.004 0.000 2.467 155 D HA 0.285 4.925 4.640 -0.000 0.000 0.220 155 D C 1.142 177.440 176.300 -0.002 0.000 1.103 155 D CA -0.346 53.653 54.000 -0.003 0.000 0.886 155 D CB 0.537 41.337 40.800 0.000 0.000 1.025 155 D HN 0.423 nan 8.370 nan 0.000 0.514 156 E N 0.928 121.125 120.200 -0.005 0.000 2.160 156 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 156 E C 1.235 177.833 176.600 -0.003 0.000 0.991 156 E CA 1.207 57.605 56.400 -0.005 0.000 0.810 156 E CB 0.377 30.073 29.700 -0.006 0.000 0.742 156 E HN 0.483 nan 8.360 nan 0.000 0.466 157 T N 0.377 114.929 114.554 -0.002 0.000 2.857 157 T HA -0.087 4.263 4.350 -0.000 0.000 0.266 157 T C 2.144 176.844 174.700 0.001 0.000 1.048 157 T CA 0.877 62.976 62.100 -0.001 0.000 1.139 157 T CB -0.148 68.719 68.868 -0.001 0.000 0.874 157 T HN -0.011 nan 8.240 nan 0.000 0.455 158 V N 1.764 121.680 119.914 0.002 0.000 2.307 158 V HA -0.060 4.060 4.120 -0.000 0.000 0.245 158 V C 2.948 179.044 176.094 0.004 0.000 1.045 158 V CA 1.916 64.218 62.300 0.004 0.000 1.024 158 V CB -1.528 30.299 31.823 0.007 0.000 0.651 158 V HN 0.574 nan 8.190 nan 0.000 0.449 159 G N 0.465 109.267 108.800 0.003 0.000 2.476 159 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.218 159 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.218 159 G C 1.586 176.487 174.900 0.001 0.000 1.164 159 G CA 1.450 46.552 45.100 0.003 0.000 0.768 159 G HN 0.554 nan 8.290 nan 0.000 0.560 160 K N -0.263 120.137 120.400 0.000 0.000 2.057 160 K HA 0.009 4.329 4.320 -0.000 0.000 0.207 160 K C 2.342 178.942 176.600 -0.001 0.000 1.049 160 K CA 1.100 57.387 56.287 -0.001 0.000 0.931 160 K CB -0.469 32.030 32.500 -0.001 0.000 0.714 160 K HN 0.216 nan 8.250 nan 0.000 0.440 161 L N 1.006 122.229 121.223 -0.000 0.000 2.056 161 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 161 L C 2.090 178.959 176.870 -0.002 0.000 1.078 161 L CA 1.480 56.320 54.840 -0.001 0.000 0.749 161 L CB -0.315 41.743 42.059 -0.000 0.000 0.901 161 L HN 0.301 nan 8.230 nan 0.000 0.433 162 I N -1.098 119.471 120.570 -0.001 0.000 2.142 162 I HA -0.340 3.830 4.170 -0.000 0.000 0.240 162 I C 2.577 178.692 176.117 -0.004 0.000 1.078 162 I CA 1.289 62.587 61.300 -0.003 0.000 1.343 162 I CB -0.584 37.416 38.000 -0.001 0.000 1.046 162 I HN 0.285 nan 8.210 nan 0.000 0.405 163 A N 0.159 122.978 122.820 -0.002 0.000 1.892 163 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 163 A C 2.260 179.842 177.584 -0.002 0.000 1.188 163 A CA 2.037 54.074 52.037 -0.001 0.000 0.631 163 A CB -0.742 18.258 19.000 -0.000 0.000 0.822 163 A HN 0.467 nan 8.150 nan 0.000 0.447 164 E N -0.666 119.532 120.200 -0.003 0.000 2.058 164 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 164 E C 2.401 178.999 176.600 -0.004 0.000 0.997 164 E CA 1.028 57.426 56.400 -0.003 0.000 0.801 164 E CB -0.267 29.432 29.700 -0.003 0.000 0.746 164 E HN 0.624 nan 8.360 nan 0.000 0.450 165 A N 1.252 124.069 122.820 -0.005 0.000 1.858 165 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 165 A C 2.191 179.770 177.584 -0.007 0.000 1.190 165 A CA 1.459 53.492 52.037 -0.007 0.000 0.617 165 A CB -0.524 18.471 19.000 -0.008 0.000 0.827 165 A HN 0.161 nan 8.150 nan 0.000 0.443 166 M N -0.766 118.829 119.600 -0.008 0.000 2.144 166 M HA -0.221 4.259 4.480 -0.000 0.000 0.260 166 M C 1.815 178.111 176.300 -0.006 0.000 1.067 166 M CA 2.146 57.442 55.300 -0.008 0.000 1.095 166 M CB -0.782 31.814 32.600 -0.007 0.000 1.365 166 M HN 0.513 nan 8.290 nan 0.000 0.406 167 D N 0.158 120.555 120.400 -0.004 0.000 2.178 167 D HA -0.114 4.526 4.640 -0.000 0.000 0.202 167 D C 1.897 178.195 176.300 -0.004 0.000 0.974 167 D CA 1.289 55.287 54.000 -0.003 0.000 0.841 167 D CB 0.266 41.064 40.800 -0.003 0.000 0.953 167 D HN 0.151 nan 8.370 nan 0.000 0.478 168 K N -0.706 119.692 120.400 -0.004 0.000 2.121 168 K HA 0.047 4.367 4.320 -0.000 0.000 0.203 168 K C 1.931 178.528 176.600 -0.004 0.000 1.041 168 K CA 0.851 57.135 56.287 -0.004 0.000 0.969 168 K CB 0.146 32.644 32.500 -0.004 0.000 0.799 168 K HN 0.092 nan 8.250 nan 0.000 0.456 169 V N -1.853 118.058 119.914 -0.005 0.000 3.141 169 V HA 0.227 4.347 4.120 -0.000 0.000 0.265 169 V C 0.983 177.073 176.094 -0.006 0.000 1.126 169 V CA 0.706 63.003 62.300 -0.006 0.000 1.141 169 V CB -1.254 30.565 31.823 -0.007 0.000 0.743 169 V HN 0.421 nan 8.190 nan 0.000 0.492 170 G N 1.061 109.857 108.800 -0.006 0.000 2.527 170 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.227 170 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.227 170 G C 0.305 175.201 174.900 -0.006 0.000 1.291 170 G CA 0.302 45.399 45.100 -0.005 0.000 0.904 170 G HN 0.402 nan 8.290 nan 0.000 0.577 171 K N 0.394 120.791 120.400 -0.006 0.000 2.242 171 K HA 0.190 4.510 4.320 -0.000 0.000 0.200 171 K C 1.577 178.172 176.600 -0.008 0.000 1.050 171 K CA 1.143 57.426 56.287 -0.006 0.000 0.981 171 K CB 0.364 32.862 32.500 -0.004 0.000 0.795 171 K HN 0.484 nan 8.250 nan 0.000 0.477 172 E N 0.974 121.169 120.200 -0.009 0.000 2.423 172 E HA 0.108 4.458 4.350 -0.000 0.000 0.198 172 E C -0.197 176.396 176.600 -0.012 0.000 1.038 172 E CA -0.496 55.898 56.400 -0.011 0.000 1.011 172 E CB 0.992 30.685 29.700 -0.010 0.000 1.118 172 E HN 0.195 nan 8.360 nan 0.000 0.451 173 G N 0.407 109.200 108.800 -0.011 0.000 2.400 173 G HA2 0.432 4.392 3.960 -0.000 0.000 0.333 173 G HA3 0.432 4.392 3.960 -0.000 0.000 0.333 173 G C -0.170 174.721 174.900 -0.015 0.000 1.143 173 G CA -0.462 44.632 45.100 -0.011 0.000 0.914 173 G HN 0.006 nan 8.290 nan 0.000 0.480 174 V N 1.300 121.206 119.914 -0.014 0.000 2.644 174 V HA 0.516 4.636 4.120 -0.000 0.000 0.295 174 V C 0.003 176.086 176.094 -0.018 0.000 1.053 174 V CA -0.520 61.769 62.300 -0.018 0.000 0.987 174 V CB 1.316 33.132 31.823 -0.012 0.000 1.006 174 V HN 0.565 nan 8.190 nan 0.000 0.472 175 I N 3.297 123.850 120.570 -0.027 0.000 2.447 175 I HA 0.522 4.692 4.170 -0.000 0.000 0.287 175 I C 0.002 176.101 176.117 -0.030 0.000 1.023 175 I CA -0.119 61.165 61.300 -0.027 0.000 1.083 175 I CB 2.259 40.240 38.000 -0.032 0.000 1.245 175 I HN 0.802 nan 8.210 nan 0.000 0.434 176 T N 2.920 117.464 114.554 -0.016 0.000 2.908 176 T HA 0.725 5.075 4.350 -0.000 0.000 0.290 176 T C -0.593 174.105 174.700 -0.004 0.000 1.034 176 T CA -0.920 61.175 62.100 -0.010 0.000 1.010 176 T CB 2.296 71.166 68.868 0.002 0.000 1.068 176 T HN 0.361 nan 8.240 nan 0.000 0.481 177 V N 1.240 121.156 119.914 0.003 0.000 2.540 177 V HA 0.847 4.967 4.120 -0.000 0.000 0.302 177 V C -1.068 175.034 176.094 0.014 0.000 1.035 177 V CA -0.630 61.676 62.300 0.009 0.000 0.873 177 V CB 1.224 33.054 31.823 0.012 0.000 0.992 177 V HN 1.195 nan 8.190 nan 0.000 0.428 178 E N 3.091 123.299 120.200 0.012 0.000 2.433 178 E HA 0.501 4.851 4.350 -0.000 0.000 0.278 178 E C -1.705 174.902 176.600 0.010 0.000 0.976 178 E CA -1.100 55.307 56.400 0.013 0.000 0.793 178 E CB 1.371 31.077 29.700 0.011 0.000 1.311 178 E HN 0.543 nan 8.360 nan 0.000 0.460 179 D N 0.994 121.400 120.400 0.011 0.000 2.493 179 D HA 0.215 4.855 4.640 -0.000 0.000 0.240 179 D C 0.230 176.534 176.300 0.006 0.000 1.142 179 D CA 0.535 54.540 54.000 0.009 0.000 0.872 179 D CB 0.975 41.780 40.800 0.009 0.000 1.173 179 D HN 0.564 nan 8.370 nan 0.000 0.467 180 G N 0.278 109.081 108.800 0.005 0.000 2.528 180 G HA2 0.337 4.297 3.960 -0.000 0.000 0.289 180 G HA3 0.337 4.297 3.960 -0.000 0.000 0.289 180 G C 1.100 176.002 174.900 0.002 0.000 1.192 180 G CA -0.245 44.857 45.100 0.003 0.000 0.921 180 G HN 0.420 nan 8.290 nan 0.000 0.512 181 T N -1.291 113.264 114.554 0.001 0.000 2.809 181 T HA 0.200 4.550 4.350 -0.000 0.000 0.260 181 T C 1.545 176.246 174.700 0.001 0.000 1.039 181 T CA 1.005 63.106 62.100 0.001 0.000 1.141 181 T CB -0.374 68.494 68.868 -0.001 0.000 0.869 181 T HN 0.712 nan 8.240 nan 0.000 0.437 182 G N 0.369 109.170 108.800 0.001 0.000 2.695 182 G HA2 0.562 4.522 3.960 -0.000 0.000 0.213 182 G HA3 0.562 4.522 3.960 -0.000 0.000 0.213 182 G C 0.490 175.391 174.900 0.001 0.000 1.406 182 G CA -0.605 44.496 45.100 0.001 0.000 1.049 182 G HN 0.293 nan 8.290 nan 0.000 0.573 183 L N -0.481 120.742 121.223 0.001 0.000 2.416 183 L HA 0.162 4.502 4.340 -0.000 0.000 0.216 183 L C 0.567 177.438 176.870 0.001 0.000 1.098 183 L CA 0.559 55.399 54.840 0.001 0.000 0.840 183 L CB -0.179 41.880 42.059 0.000 0.000 0.981 183 L HN 0.422 nan 8.230 nan 0.000 0.462 184 Q N -0.200 119.600 119.800 0.000 0.000 2.214 184 Q HA 0.274 4.614 4.340 -0.000 0.000 0.251 184 Q C -0.704 175.296 176.000 0.001 0.000 0.936 184 Q CA -0.578 55.225 55.803 0.000 0.000 0.894 184 Q CB 0.778 29.516 28.738 -0.000 0.000 1.252 184 Q HN -0.045 nan 8.270 nan 0.000 0.448 185 D N 1.276 121.677 120.400 0.001 0.000 2.372 185 D HA 0.118 4.758 4.640 -0.000 0.000 0.243 185 D C -0.544 175.756 176.300 0.000 0.000 1.121 185 D CA 0.160 54.161 54.000 0.001 0.000 0.898 185 D CB 0.926 41.727 40.800 0.002 0.000 1.202 185 D HN 0.512 nan 8.370 nan 0.000 0.428 186 E N 1.018 121.218 120.200 0.000 0.000 2.308 186 E HA 0.370 4.720 4.350 -0.000 0.000 0.275 186 E C -1.734 174.865 176.600 -0.001 0.000 0.890 186 E CA -0.825 55.575 56.400 -0.001 0.000 0.754 186 E CB 1.858 31.557 29.700 -0.001 0.000 1.207 186 E HN 0.166 nan 8.360 nan 0.000 0.426 187 L N 4.035 125.257 121.223 -0.002 0.000 2.305 187 L HA 0.505 4.845 4.340 -0.000 0.000 0.284 187 L C -1.379 175.489 176.870 -0.004 0.000 1.013 187 L CA -0.228 54.610 54.840 -0.003 0.000 0.819 187 L CB 1.353 43.410 42.059 -0.003 0.000 1.227 187 L HN 0.414 nan 8.230 nan 0.000 0.417 188 D N 4.004 124.401 120.400 -0.004 0.000 2.192 188 D HA 0.530 5.170 4.640 -0.000 0.000 0.246 188 D C -0.985 175.312 176.300 -0.005 0.000 1.042 188 D CA 0.003 54.000 54.000 -0.005 0.000 0.847 188 D CB 2.488 43.285 40.800 -0.006 0.000 1.186 188 D HN 0.296 nan 8.370 nan 0.000 0.461 189 V N 2.503 122.414 119.914 -0.005 0.000 2.447 189 V HA 0.207 4.327 4.120 -0.000 0.000 0.292 189 V C 0.024 176.115 176.094 -0.004 0.000 1.021 189 V CA -0.842 61.456 62.300 -0.004 0.000 0.850 189 V CB 1.869 33.690 31.823 -0.004 0.000 1.005 189 V HN 0.277 nan 8.190 nan 0.000 0.426 190 V N 4.318 124.230 119.914 -0.003 0.000 2.583 190 V HA 0.377 4.497 4.120 -0.000 0.000 0.287 190 V C 0.264 176.358 176.094 0.000 0.000 1.051 190 V CA -0.501 61.797 62.300 -0.003 0.000 1.010 190 V CB 1.390 33.211 31.823 -0.002 0.000 0.988 190 V HN 0.760 nan 8.190 nan 0.000 0.478 191 E N 2.929 123.129 120.200 -0.000 0.000 2.175 191 E HA 0.569 4.919 4.350 -0.000 0.000 0.278 191 E C 0.648 177.252 176.600 0.007 0.000 0.969 191 E CA 0.680 57.081 56.400 0.002 0.000 0.796 191 E CB 1.694 31.394 29.700 -0.000 0.000 1.104 191 E HN 0.973 nan 8.360 nan 0.000 0.395 192 G N 3.117 111.923 108.800 0.009 0.000 2.539 192 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.256 192 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.256 192 G C -0.170 174.746 174.900 0.027 0.000 1.233 192 G CA -0.004 45.105 45.100 0.016 0.000 0.936 192 G HN 0.507 nan 8.290 nan 0.000 0.571 193 M N 1.271 120.897 119.600 0.043 0.000 2.268 193 M HA 0.630 5.110 4.480 -0.000 0.000 0.344 193 M C -0.298 176.066 176.300 0.106 0.000 1.106 193 M CA -0.485 54.859 55.300 0.073 0.000 1.010 193 M CB 1.417 34.066 32.600 0.081 0.000 1.649 193 M HN 0.877 nan 8.290 nan 0.000 0.443 194 Q N 4.988 124.863 119.800 0.125 0.000 2.320 194 Q HA 0.497 4.837 4.340 -0.000 0.000 0.272 194 Q C -2.217 173.887 176.000 0.174 0.000 1.023 194 Q CA -0.668 55.192 55.803 0.095 0.000 0.855 194 Q CB 1.994 30.727 28.738 -0.008 0.000 1.367 194 Q HN 0.686 nan 8.270 nan 0.000 0.406 195 F N -0.218 119.723 119.950 -0.016 0.000 2.618 195 F HA 0.549 5.076 4.527 0.000 0.000 0.332 195 F C -0.263 175.526 175.800 -0.018 0.000 1.061 195 F CA -1.332 56.656 58.000 -0.020 0.000 0.974 195 F CB 0.901 39.885 39.000 -0.027 0.000 1.310 195 F HN 0.349 nan 8.300 nan 0.000 0.491 196 D N 2.012 122.472 120.400 0.099 0.000 2.600 196 D HA 0.144 4.784 4.640 -0.000 0.000 0.226 196 D C -0.441 175.847 176.300 -0.019 0.000 1.119 196 D CA 0.371 54.374 54.000 0.004 0.000 1.051 196 D CB -0.018 40.816 40.800 0.056 0.000 1.106 196 D HN 0.237 nan 8.370 nan 0.000 0.491 197 R N 0.259 120.648 120.500 -0.186 0.000 2.510 197 R HA 0.422 4.762 4.340 -0.000 0.000 0.294 197 R C -0.291 175.875 176.300 -0.224 0.000 1.056 197 R CA -0.665 55.344 56.100 -0.151 0.000 0.918 197 R CB 1.508 31.767 30.300 -0.069 0.000 1.187 197 R HN 0.209 nan 8.270 nan 0.000 0.437 198 G N 2.384 111.073 108.800 -0.185 0.000 2.451 198 G HA2 0.357 4.317 3.960 -0.000 0.000 0.303 198 G HA3 0.357 4.317 3.960 -0.000 0.000 0.303 198 G C -0.725 174.060 174.900 -0.192 0.000 1.166 198 G CA -0.496 44.414 45.100 -0.318 0.000 0.884 198 G HN 0.512 nan 8.290 nan 0.000 0.514 199 Y N -0.254 120.048 120.300 0.003 0.000 2.702 199 Y HA 0.209 4.759 4.550 0.000 0.000 0.336 199 Y C 1.156 177.069 175.900 0.023 0.000 1.235 199 Y CA -0.967 57.157 58.100 0.040 0.000 1.492 199 Y CB 0.309 38.820 38.460 0.085 0.000 1.308 199 Y HN 0.231 nan 8.280 nan 0.000 0.589 200 L N 1.542 122.905 121.223 0.233 0.000 2.270 200 L HA 0.016 4.356 4.340 -0.000 0.000 0.210 200 L C 1.126 178.071 176.870 0.125 0.000 1.104 200 L CA 1.005 55.930 54.840 0.141 0.000 0.804 200 L CB 0.028 42.137 42.059 0.084 0.000 0.937 200 L HN 0.751 nan 8.230 nan 0.000 0.450 201 S N 0.337 116.115 115.700 0.130 0.000 2.532 201 S HA 0.287 4.757 4.470 -0.000 0.000 0.318 201 S C -1.551 172.993 174.600 -0.093 0.000 1.083 201 S CA -1.621 56.602 58.200 0.037 0.000 1.131 201 S CB 0.821 64.046 63.200 0.042 0.000 0.973 201 S HN -0.051 nan 8.310 nan 0.000 0.468 202 P HA -0.062 nan 4.420 nan 0.000 0.223 202 P C 0.193 177.251 177.300 -0.403 0.000 1.151 202 P CA 0.733 63.512 63.100 -0.535 0.000 0.787 202 P CB -0.132 31.371 31.700 -0.329 0.000 0.788 203 Y N -1.224 119.025 120.300 -0.086 0.000 2.550 203 Y HA 0.181 4.731 4.550 0.000 0.000 0.351 203 Y C 1.491 177.416 175.900 0.042 0.000 1.160 203 Y CA -0.235 57.845 58.100 -0.034 0.000 1.337 203 Y CB -1.460 37.001 38.460 0.002 0.000 1.196 203 Y HN -0.007 nan 8.280 nan 0.000 0.498 204 F N -1.179 118.704 119.950 -0.112 0.000 2.856 204 F HA 0.371 4.898 4.527 -0.000 0.000 0.338 204 F C 0.315 176.033 175.800 -0.137 0.000 1.100 204 F CA -0.409 57.532 58.000 -0.098 0.000 1.150 204 F CB 0.463 39.414 39.000 -0.082 0.000 1.101 204 F HN -0.204 nan 8.300 nan 0.000 0.548 205 I N 4.042 124.375 120.570 -0.395 0.000 2.845 205 I HA -0.155 4.015 4.170 -0.000 0.000 0.290 205 I C 0.867 176.782 176.117 -0.336 0.000 1.202 205 I CA 0.469 61.539 61.300 -0.383 0.000 1.406 205 I CB 0.204 38.051 38.000 -0.256 0.000 1.383 205 I HN 0.363 nan 8.210 nan 0.000 0.549 206 N N 6.888 125.353 118.700 -0.391 0.000 2.276 206 N HA 0.043 4.783 4.740 -0.000 0.000 0.212 206 N C -0.312 175.107 175.510 -0.152 0.000 1.127 206 N CA -0.130 52.756 53.050 -0.274 0.000 0.834 206 N CB 0.568 38.860 38.487 -0.325 0.000 1.014 206 N HN 0.465 nan 8.380 nan 0.000 0.491 207 K N 1.000 121.327 120.400 -0.122 0.000 2.790 207 K HA 0.251 4.571 4.320 -0.000 0.000 0.253 207 K C -2.386 174.184 176.600 -0.049 0.000 1.082 207 K CA -1.012 55.233 56.287 -0.070 0.000 1.067 207 K CB 2.443 34.911 32.500 -0.054 0.000 1.284 207 K HN -0.141 nan 8.250 nan 0.000 0.529 208 P HA -0.084 nan 4.420 nan 0.000 0.230 208 P C 0.674 177.968 177.300 -0.011 0.000 1.158 208 P CA 0.919 64.004 63.100 -0.024 0.000 0.769 208 P CB 0.587 32.275 31.700 -0.020 0.000 0.807 209 E N -0.642 119.550 120.200 -0.013 0.000 2.047 209 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 209 E C 1.865 178.463 176.600 -0.003 0.000 0.987 209 E CA 1.995 58.390 56.400 -0.008 0.000 0.799 209 E CB -1.163 28.531 29.700 -0.011 0.000 0.752 209 E HN 0.337 nan 8.360 nan 0.000 0.449 210 T N -3.365 111.188 114.554 -0.003 0.000 3.065 210 T HA 0.248 4.598 4.350 -0.000 0.000 0.252 210 T C 1.470 176.181 174.700 0.018 0.000 1.099 210 T CA 0.264 62.366 62.100 0.003 0.000 1.063 210 T CB 0.254 69.122 68.868 -0.001 0.000 0.948 210 T HN 0.273 nan 8.240 nan 0.000 0.506 211 G N 1.186 110.000 108.800 0.022 0.000 2.246 211 G HA2 0.140 4.100 3.960 -0.000 0.000 0.273 211 G HA3 0.140 4.100 3.960 -0.000 0.000 0.273 211 G C 0.052 175.020 174.900 0.114 0.000 1.055 211 G CA -0.072 45.060 45.100 0.054 0.000 0.851 211 G HN 1.238 nan 8.290 nan 0.000 0.500 212 A N -1.308 121.554 122.820 0.069 0.000 2.539 212 A HA 0.876 5.196 4.320 -0.000 0.000 0.296 212 A C -0.217 177.377 177.584 0.017 0.000 1.073 212 A CA -0.239 51.862 52.037 0.107 0.000 0.700 212 A CB 1.904 20.937 19.000 0.056 0.000 1.296 212 A HN 1.290 nan 8.150 nan 0.000 0.405 213 V N 1.157 121.096 119.914 0.042 0.000 2.498 213 V HA 0.370 4.490 4.120 -0.000 0.000 0.279 213 V C 0.039 176.112 176.094 -0.035 0.000 1.048 213 V CA 0.011 62.267 62.300 -0.073 0.000 0.967 213 V CB 0.992 32.806 31.823 -0.016 0.000 0.988 213 V HN 0.883 nan 8.190 nan 0.000 0.473 214 E N 4.763 124.920 120.200 -0.072 0.000 3.108 214 E HA 0.349 4.699 4.350 -0.000 0.000 0.228 214 E C -1.088 175.499 176.600 -0.021 0.000 1.176 214 E CA -0.323 56.057 56.400 -0.032 0.000 0.881 214 E CB 1.178 30.858 29.700 -0.034 0.000 1.354 214 E HN 0.581 nan 8.360 nan 0.000 0.400 215 L N 2.203 123.436 121.223 0.016 0.000 2.369 215 L HA 0.188 4.528 4.340 -0.000 0.000 0.279 215 L C 0.546 177.432 176.870 0.026 0.000 1.108 215 L CA -0.216 54.651 54.840 0.044 0.000 0.852 215 L CB 0.153 42.276 42.059 0.107 0.000 1.169 215 L HN 0.336 nan 8.230 nan 0.000 0.452 216 E N 2.930 123.139 120.200 0.015 0.000 2.316 216 E HA 0.009 4.359 4.350 -0.000 0.000 0.275 216 E C 0.463 177.057 176.600 -0.010 0.000 1.029 216 E CA 0.064 56.464 56.400 0.000 0.000 0.871 216 E CB 0.878 30.577 29.700 -0.003 0.000 1.022 216 E HN 0.490 nan 8.360 nan 0.000 0.418 217 S N 4.545 120.228 115.700 -0.028 0.000 3.280 217 S HA -0.126 4.344 4.470 -0.000 0.000 0.349 217 S C -2.436 172.101 174.600 -0.106 0.000 0.936 217 S CA 0.334 58.493 58.200 -0.067 0.000 1.301 217 S CB -0.876 62.279 63.200 -0.074 0.000 0.907 217 S HN 0.462 nan 8.310 nan 0.000 0.516 218 P HA 0.566 nan 4.420 nan 0.000 0.285 218 P C -0.073 177.159 177.300 -0.113 0.000 1.285 218 P CA -0.887 62.187 63.100 -0.044 0.000 0.854 218 P CB 0.472 32.207 31.700 0.058 0.000 1.180 219 F N -0.100 119.873 119.950 0.037 0.000 2.380 219 F HA 0.396 4.923 4.527 -0.000 0.000 0.325 219 F C 0.812 176.633 175.800 0.036 0.000 1.136 219 F CA 0.189 58.207 58.000 0.030 0.000 1.171 219 F CB 0.369 39.383 39.000 0.023 0.000 1.230 219 F HN 0.016 nan 8.300 nan 0.000 0.554 220 I N 3.418 124.144 120.570 0.260 0.000 2.447 220 I HA 0.260 4.430 4.170 -0.000 0.000 0.287 220 I C -1.378 174.810 176.117 0.118 0.000 1.023 220 I CA -0.775 60.617 61.300 0.154 0.000 1.083 220 I CB 1.848 39.915 38.000 0.111 0.000 1.245 220 I HN 0.244 nan 8.210 nan 0.000 0.434 221 L N 7.998 129.272 121.223 0.085 0.000 2.265 221 L HA 0.520 4.860 4.340 -0.000 0.000 0.289 221 L C -1.002 175.888 176.870 0.033 0.000 1.033 221 L CA -0.092 54.776 54.840 0.045 0.000 0.814 221 L CB 0.770 42.844 42.059 0.025 0.000 1.203 221 L HN 0.461 nan 8.230 nan 0.000 0.423 222 L N 6.116 127.350 121.223 0.019 0.000 2.262 222 L HA 0.670 5.010 4.340 -0.000 0.000 0.288 222 L C 0.070 176.938 176.870 -0.005 0.000 1.035 222 L CA -0.524 54.317 54.840 0.002 0.000 0.820 222 L CB 1.206 43.258 42.059 -0.011 0.000 1.204 222 L HN 0.776 nan 8.230 nan 0.000 0.424 223 A N 1.743 124.561 122.820 -0.004 0.000 2.273 223 A HA 0.274 4.594 4.320 -0.000 0.000 0.315 223 A C 0.403 177.981 177.584 -0.010 0.000 1.256 223 A CA -0.553 51.480 52.037 -0.006 0.000 0.851 223 A CB 1.040 20.040 19.000 -0.001 0.000 1.172 223 A HN 0.779 nan 8.150 nan 0.000 0.508 224 D N 2.004 122.396 120.400 -0.013 0.000 2.097 224 D HA -0.087 4.553 4.640 -0.000 0.000 0.197 224 D C 0.867 177.163 176.300 -0.007 0.000 0.984 224 D CA 1.624 55.615 54.000 -0.014 0.000 0.826 224 D CB 0.027 40.819 40.800 -0.015 0.000 0.973 224 D HN 0.670 nan 8.370 nan 0.000 0.460 225 K N 0.660 121.058 120.400 -0.003 0.000 2.168 225 K HA 0.149 4.469 4.320 -0.000 0.000 0.258 225 K C -0.029 176.573 176.600 0.005 0.000 1.010 225 K CA -0.600 55.688 56.287 0.001 0.000 0.929 225 K CB 0.376 32.876 32.500 0.000 0.000 0.998 225 K HN -0.068 nan 8.250 nan 0.000 0.479 226 K N 1.535 121.940 120.400 0.008 0.000 2.185 226 K HA 0.283 4.603 4.320 -0.000 0.000 0.271 226 K C -0.527 176.078 176.600 0.008 0.000 1.013 226 K CA -0.469 55.825 56.287 0.012 0.000 0.943 226 K CB 0.544 33.053 32.500 0.016 0.000 0.998 226 K HN 0.520 nan 8.250 nan 0.000 0.468 227 I N 1.367 121.943 120.570 0.009 0.000 2.437 227 I HA 0.044 4.214 4.170 -0.000 0.000 0.298 227 I C 0.742 176.863 176.117 0.006 0.000 0.984 227 I CA -0.133 61.169 61.300 0.005 0.000 1.214 227 I CB 1.903 39.904 38.000 0.002 0.000 1.365 227 I HN 0.873 nan 8.210 nan 0.000 0.469 228 S N 2.824 118.526 115.700 0.003 0.000 2.612 228 S HA 0.246 4.716 4.470 -0.000 0.000 0.278 228 S C -0.293 174.307 174.600 0.001 0.000 1.082 228 S CA -0.216 57.986 58.200 0.004 0.000 1.185 228 S CB 0.213 63.416 63.200 0.005 0.000 1.077 228 S HN 0.745 nan 8.310 nan 0.000 0.585 229 N N 1.219 119.918 118.700 -0.002 0.000 2.321 229 N HA 0.411 5.151 4.740 -0.000 0.000 0.299 229 N C 0.137 175.642 175.510 -0.007 0.000 1.048 229 N CA -0.564 52.484 53.050 -0.004 0.000 0.836 229 N CB 1.321 39.806 38.487 -0.003 0.000 1.269 229 N HN 0.018 nan 8.380 nan 0.000 0.486 230 I N 1.353 121.918 120.570 -0.008 0.000 2.454 230 I HA -0.104 4.066 4.170 -0.000 0.000 0.254 230 I C 2.219 178.328 176.117 -0.013 0.000 1.156 230 I CA 1.218 62.511 61.300 -0.012 0.000 1.433 230 I CB -0.118 37.875 38.000 -0.012 0.000 1.082 230 I HN 0.597 nan 8.210 nan 0.000 0.432 231 R N 0.761 121.255 120.500 -0.010 0.000 2.143 231 R HA -0.288 4.052 4.340 -0.000 0.000 0.239 231 R C 2.074 178.366 176.300 -0.013 0.000 1.126 231 R CA 2.563 58.657 56.100 -0.011 0.000 0.927 231 R CB -0.401 29.894 30.300 -0.008 0.000 0.860 231 R HN 0.436 nan 8.270 nan 0.000 0.433 232 E N -0.520 119.673 120.200 -0.013 0.000 2.265 232 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 232 E C 1.911 178.499 176.600 -0.019 0.000 0.996 232 E CA 1.164 57.555 56.400 -0.015 0.000 0.832 232 E CB 0.035 29.728 29.700 -0.012 0.000 0.756 232 E HN 0.347 nan 8.360 nan 0.000 0.491 233 M N -0.222 119.366 119.600 -0.020 0.000 2.160 233 M HA -0.017 4.463 4.480 -0.000 0.000 0.264 233 M C 2.214 178.497 176.300 -0.029 0.000 1.073 233 M CA 1.027 56.312 55.300 -0.026 0.000 1.142 233 M CB -0.793 31.791 32.600 -0.026 0.000 1.358 233 M HN 0.174 nan 8.290 nan 0.000 0.422 234 L N 0.085 121.293 121.223 -0.025 0.000 2.030 234 L HA -0.281 4.059 4.340 -0.000 0.000 0.222 234 L C -0.372 176.480 176.870 -0.029 0.000 1.082 234 L CA 2.101 56.926 54.840 -0.024 0.000 0.785 234 L CB -2.344 39.703 42.059 -0.019 0.000 0.895 234 L HN 0.180 nan 8.230 nan 0.000 0.439 235 P HA -0.148 nan 4.420 nan 0.000 0.215 235 P C 1.778 179.048 177.300 -0.049 0.000 1.157 235 P CA 1.393 64.472 63.100 -0.035 0.000 0.874 235 P CB 0.033 31.715 31.700 -0.032 0.000 0.790 236 V N -0.715 119.166 119.914 -0.055 0.000 2.300 236 V HA -0.139 3.981 4.120 -0.000 0.000 0.241 236 V C 2.476 178.520 176.094 -0.084 0.000 1.034 236 V CA 1.077 63.329 62.300 -0.079 0.000 1.021 236 V CB -1.488 30.291 31.823 -0.074 0.000 0.662 236 V HN 0.006 nan 8.190 nan 0.000 0.458 237 L N 0.214 121.401 121.223 -0.060 0.000 2.103 237 L HA -0.303 4.037 4.340 -0.000 0.000 0.215 237 L C 2.670 179.514 176.870 -0.044 0.000 1.080 237 L CA 2.204 57.015 54.840 -0.048 0.000 0.764 237 L CB -0.180 41.857 42.059 -0.035 0.000 0.890 237 L HN 0.466 nan 8.230 nan 0.000 0.435 238 E N -0.175 119.998 120.200 -0.044 0.000 2.028 238 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 238 E C 2.048 178.620 176.600 -0.047 0.000 0.988 238 E CA 1.591 57.969 56.400 -0.036 0.000 0.799 238 E CB -0.285 29.396 29.700 -0.031 0.000 0.755 238 E HN 0.463 nan 8.360 nan 0.000 0.447 239 A N 0.194 122.971 122.820 -0.072 0.000 1.948 239 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 239 A C 2.453 179.969 177.584 -0.113 0.000 1.177 239 A CA 1.902 53.882 52.037 -0.095 0.000 0.636 239 A CB -0.768 18.153 19.000 -0.132 0.000 0.815 239 A HN 0.212 nan 8.150 nan 0.000 0.449 240 V N -0.443 119.392 119.914 -0.132 0.000 2.453 240 V HA -0.161 3.959 4.120 -0.000 0.000 0.247 240 V C 2.978 179.080 176.094 0.014 0.000 1.048 240 V CA 1.639 63.886 62.300 -0.089 0.000 1.049 240 V CB -1.368 30.409 31.823 -0.077 0.000 0.672 240 V HN 0.592 nan 8.190 nan 0.000 0.457 241 A N -0.010 122.810 122.820 0.001 0.000 1.940 241 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 241 A C 2.155 179.753 177.584 0.024 0.000 1.176 241 A CA 1.773 53.821 52.037 0.018 0.000 0.631 241 A CB -0.383 18.620 19.000 0.005 0.000 0.814 241 A HN 0.545 nan 8.150 nan 0.000 0.446 242 K N -0.787 119.620 120.400 0.012 0.000 2.437 242 K HA 0.349 4.669 4.320 -0.000 0.000 0.198 242 K C 1.169 177.788 176.600 0.033 0.000 1.024 242 K CA 0.392 56.689 56.287 0.017 0.000 1.148 242 K CB 0.161 32.664 32.500 0.004 0.000 0.860 242 K HN 0.432 nan 8.250 nan 0.000 0.515 243 A N -0.291 122.562 122.820 0.055 0.000 2.259 243 A HA 0.355 4.675 4.320 -0.000 0.000 0.213 243 A C 1.478 179.135 177.584 0.121 0.000 1.209 243 A CA 0.687 52.786 52.037 0.104 0.000 0.910 243 A CB 0.206 19.302 19.000 0.161 0.000 0.946 243 A HN 0.328 nan 8.150 nan 0.000 0.497 244 G N 0.035 108.896 108.800 0.102 0.000 2.454 244 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.225 244 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.225 244 G C 0.447 175.410 174.900 0.105 0.000 1.138 244 G CA 0.426 45.578 45.100 0.086 0.000 0.667 244 G HN 0.563 nan 8.290 nan 0.000 0.512 245 K N 2.303 122.792 120.400 0.147 0.000 2.436 245 K HA 0.394 4.714 4.320 -0.000 0.000 0.275 245 K C -1.987 174.722 176.600 0.183 0.000 0.999 245 K CA -0.829 55.537 56.287 0.133 0.000 0.980 245 K CB 0.578 33.126 32.500 0.081 0.000 0.919 245 K HN 0.230 nan 8.250 nan 0.000 0.484 246 P HA 0.105 nan 4.420 nan 0.000 0.275 246 P C -1.294 176.126 177.300 0.199 0.000 1.270 246 P CA -0.489 62.705 63.100 0.156 0.000 0.791 246 P CB 0.472 32.254 31.700 0.137 0.000 1.089 247 L N 0.226 121.554 121.223 0.175 0.000 2.516 247 L HA 0.525 4.865 4.340 -0.000 0.000 0.267 247 L C -1.617 175.330 176.870 0.128 0.000 0.957 247 L CA -0.828 54.114 54.840 0.170 0.000 0.860 247 L CB 1.563 43.701 42.059 0.131 0.000 1.265 247 L HN 0.104 nan 8.230 nan 0.000 0.403 248 L N 5.727 127.032 121.223 0.136 0.000 2.334 248 L HA 0.685 5.025 4.340 -0.000 0.000 0.277 248 L C -1.089 175.837 176.870 0.095 0.000 1.075 248 L CA 0.213 55.127 54.840 0.123 0.000 0.804 248 L CB 1.266 43.410 42.059 0.141 0.000 1.174 248 L HN 0.622 nan 8.230 nan 0.000 0.438 249 I N 6.044 126.659 120.570 0.075 0.000 2.411 249 I HA 0.361 4.531 4.170 -0.000 0.000 0.284 249 I C -0.762 175.402 176.117 0.078 0.000 1.012 249 I CA -0.046 61.288 61.300 0.056 0.000 1.119 249 I CB 1.420 39.432 38.000 0.019 0.000 1.261 249 I HN 0.469 nan 8.210 nan 0.000 0.448 250 I N 6.510 127.126 120.570 0.077 0.000 2.388 250 I HA 0.577 4.747 4.170 -0.000 0.000 0.281 250 I C 0.416 176.555 176.117 0.035 0.000 1.046 250 I CA -0.036 61.312 61.300 0.082 0.000 1.187 250 I CB 0.838 38.889 38.000 0.085 0.000 1.351 250 I HN 0.605 nan 8.210 nan 0.000 0.472 251 A N 4.184 127.027 122.820 0.038 0.000 2.284 251 A HA 0.441 4.761 4.320 -0.000 0.000 0.317 251 A C 1.111 178.709 177.584 0.023 0.000 1.120 251 A CA -0.477 51.572 52.037 0.021 0.000 0.900 251 A CB 0.901 19.912 19.000 0.019 0.000 1.319 251 A HN 0.705 nan 8.150 nan 0.000 0.494 252 E N -0.768 119.442 120.200 0.015 0.000 2.110 252 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 252 E C -0.348 176.273 176.600 0.034 0.000 0.988 252 E CA 1.423 57.836 56.400 0.021 0.000 0.804 252 E CB 0.181 29.891 29.700 0.017 0.000 0.745 252 E HN 0.599 nan 8.360 nan 0.000 0.458 253 D N -1.746 118.673 120.400 0.032 0.000 2.728 253 D HA 0.165 4.805 4.640 -0.000 0.000 0.249 253 D C -1.837 174.480 176.300 0.028 0.000 1.225 253 D CA -0.450 53.572 54.000 0.035 0.000 0.748 253 D CB 2.092 42.912 40.800 0.033 0.000 1.326 253 D HN -0.127 nan 8.370 nan 0.000 0.426 254 V N 2.651 122.582 119.914 0.029 0.000 2.525 254 V HA 0.481 4.601 4.120 -0.000 0.000 0.299 254 V C 0.162 176.269 176.094 0.021 0.000 1.034 254 V CA -0.499 61.813 62.300 0.020 0.000 0.863 254 V CB 1.635 33.467 31.823 0.016 0.000 0.999 254 V HN 0.627 nan 8.190 nan 0.000 0.423 255 E N 3.420 123.629 120.200 0.016 0.000 2.359 255 E HA 0.824 5.174 4.350 -0.000 0.000 0.223 255 E C 0.532 177.141 176.600 0.014 0.000 0.877 255 E CA -0.382 56.028 56.400 0.018 0.000 0.887 255 E CB 1.137 30.848 29.700 0.019 0.000 1.890 255 E HN 1.109 nan 8.360 nan 0.000 0.419 256 G N 0.945 109.754 108.800 0.015 0.000 2.578 256 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.275 256 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.275 256 G C 0.556 175.464 174.900 0.013 0.000 1.271 256 G CA 0.944 46.052 45.100 0.013 0.000 0.941 256 G HN 0.815 nan 8.290 nan 0.000 0.564 257 E N 0.203 120.408 120.200 0.009 0.000 2.427 257 E HA 0.422 4.772 4.350 -0.000 0.000 0.196 257 E C 2.528 179.130 176.600 0.002 0.000 1.028 257 E CA 1.915 58.319 56.400 0.007 0.000 0.864 257 E CB -0.485 29.218 29.700 0.005 0.000 0.813 257 E HN 1.183 nan 8.360 nan 0.000 0.514 258 A N 1.567 124.387 122.820 0.000 0.000 1.841 258 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 258 A C 2.171 179.749 177.584 -0.011 0.000 1.199 258 A CA 1.574 53.607 52.037 -0.007 0.000 0.621 258 A CB -0.971 18.026 19.000 -0.006 0.000 0.835 258 A HN 0.322 nan 8.150 nan 0.000 0.445 259 L N -0.186 121.034 121.223 -0.004 0.000 2.013 259 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 259 L C 2.736 179.606 176.870 0.001 0.000 1.073 259 L CA 2.441 57.278 54.840 -0.005 0.000 0.753 259 L CB -0.866 41.199 42.059 0.011 0.000 0.890 259 L HN 0.401 nan 8.230 nan 0.000 0.432 260 A N -1.150 121.679 122.820 0.015 0.000 1.865 260 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 260 A C 2.368 179.960 177.584 0.013 0.000 1.191 260 A CA 2.902 54.955 52.037 0.026 0.000 0.623 260 A CB -1.488 17.528 19.000 0.027 0.000 0.826 260 A HN 0.641 nan 8.150 nan 0.000 0.444 261 T N -1.532 113.022 114.554 0.000 0.000 2.821 261 T HA -0.035 4.315 4.350 -0.000 0.000 0.267 261 T C 1.825 176.513 174.700 -0.019 0.000 1.046 261 T CA 1.307 63.403 62.100 -0.007 0.000 1.139 261 T CB -0.603 68.260 68.868 -0.009 0.000 0.871 261 T HN 0.275 nan 8.240 nan 0.000 0.454 262 L N 0.887 122.089 121.223 -0.036 0.000 2.079 262 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 262 L C 2.904 179.725 176.870 -0.082 0.000 1.081 262 L CA 0.975 55.770 54.840 -0.075 0.000 0.752 262 L CB -0.755 41.238 42.059 -0.110 0.000 0.896 262 L HN 0.197 nan 8.230 nan 0.000 0.433 263 V N -0.568 119.324 119.914 -0.036 0.000 2.233 263 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 263 V C 2.351 178.464 176.094 0.032 0.000 1.050 263 V CA 1.940 64.252 62.300 0.020 0.000 1.010 263 V CB -0.602 31.270 31.823 0.080 0.000 0.637 263 V HN 0.279 nan 8.190 nan 0.000 0.444 264 V N 0.489 120.413 119.914 0.016 0.000 2.867 264 V HA -0.179 3.941 4.120 -0.000 0.000 0.260 264 V C 2.105 178.206 176.094 0.012 0.000 1.099 264 V CA 1.681 63.988 62.300 0.011 0.000 1.122 264 V CB -1.113 30.711 31.823 0.001 0.000 0.708 264 V HN 0.562 nan 8.190 nan 0.000 0.490 265 N N 0.438 119.141 118.700 0.004 0.000 2.354 265 N HA -0.075 4.665 4.740 -0.000 0.000 0.179 265 N C 1.820 177.347 175.510 0.027 0.000 1.021 265 N CA 1.739 54.791 53.050 0.004 0.000 0.887 265 N CB 0.095 38.572 38.487 -0.016 0.000 0.974 265 N HN 0.501 nan 8.380 nan 0.000 0.437 266 T N 0.863 115.447 114.554 0.050 0.000 3.039 266 T HA 0.143 4.494 4.350 -0.000 0.000 0.250 266 T C 1.823 176.599 174.700 0.126 0.000 1.052 266 T CA -0.101 62.077 62.100 0.131 0.000 1.125 266 T CB 0.317 69.351 68.868 0.277 0.000 0.908 266 T HN 0.095 nan 8.240 nan 0.000 0.473 267 M N 0.960 120.620 119.600 0.101 0.000 2.260 267 M HA -0.109 4.371 4.480 -0.000 0.000 0.261 267 M C 2.236 178.558 176.300 0.036 0.000 1.066 267 M CA 1.534 56.871 55.300 0.063 0.000 1.082 267 M CB -0.046 32.576 32.600 0.036 0.000 1.388 267 M HN 0.074 nan 8.290 nan 0.000 0.419 268 R N -0.933 119.587 120.500 0.034 0.000 2.146 268 R HA 0.087 4.427 4.340 -0.000 0.000 0.206 268 R C 0.983 177.299 176.300 0.028 0.000 1.049 268 R CA 1.204 57.317 56.100 0.022 0.000 1.029 268 R CB 0.417 30.726 30.300 0.015 0.000 0.949 268 R HN 0.491 nan 8.270 nan 0.000 0.471 269 G N 0.088 108.912 108.800 0.040 0.000 2.141 269 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.164 269 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.164 269 G C 0.409 175.331 174.900 0.038 0.000 1.009 269 G CA 0.089 45.214 45.100 0.043 0.000 0.677 269 G HN 0.132 nan 8.290 nan 0.000 0.508 270 I N -0.058 120.533 120.570 0.034 0.000 2.235 270 I HA 0.136 4.306 4.170 -0.000 0.000 0.241 270 I C 1.567 177.704 176.117 0.033 0.000 1.085 270 I CA 2.101 63.416 61.300 0.026 0.000 1.378 270 I CB -1.178 36.832 38.000 0.016 0.000 1.076 270 I HN 0.539 nan 8.210 nan 0.000 0.415 271 V N -1.818 118.120 119.914 0.039 0.000 3.114 271 V HA 0.516 4.636 4.120 -0.000 0.000 0.308 271 V C -0.493 175.650 176.094 0.082 0.000 1.168 271 V CA -1.198 61.132 62.300 0.049 0.000 1.015 271 V CB 2.548 34.386 31.823 0.024 0.000 1.050 271 V HN 0.058 nan 8.190 nan 0.000 0.433 272 K N 1.840 122.309 120.400 0.115 0.000 2.334 272 K HA 0.734 5.054 4.320 -0.000 0.000 0.265 272 K C -1.109 175.594 176.600 0.172 0.000 1.039 272 K CA -0.465 55.949 56.287 0.213 0.000 0.920 272 K CB 1.584 34.215 32.500 0.219 0.000 1.160 272 K HN 0.955 nan 8.250 nan 0.000 0.451 273 V N 0.284 120.178 119.914 -0.033 0.000 2.623 273 V HA 0.800 4.920 4.120 -0.000 0.000 0.304 273 V C -0.600 175.017 176.094 -0.794 0.000 1.054 273 V CA -1.084 61.069 62.300 -0.244 0.000 0.882 273 V CB 1.490 33.200 31.823 -0.188 0.000 1.002 273 V HN 0.669 nan 8.190 nan 0.000 0.424 274 A N 3.484 126.139 122.820 -0.275 0.000 2.320 274 A HA 1.046 5.366 4.320 -0.000 0.000 0.334 274 A C 0.141 177.690 177.584 -0.058 0.000 1.147 274 A CA -0.274 51.685 52.037 -0.130 0.000 0.820 274 A CB 1.682 20.881 19.000 0.333 0.000 1.218 274 A HN 2.413 nan 8.150 nan 0.000 0.482 275 A N 0.844 123.668 122.820 0.007 0.000 2.375 275 A HA 0.664 4.984 4.320 -0.000 0.000 0.295 275 A C -0.740 176.909 177.584 0.107 0.000 1.066 275 A CA -0.188 51.872 52.037 0.040 0.000 0.722 275 A CB 0.981 19.977 19.000 -0.007 0.000 1.206 275 A HN 2.142 nan 8.150 nan 0.000 0.435 276 V N -0.048 119.935 119.914 0.115 0.000 2.808 276 V HA 0.574 4.694 4.120 -0.000 0.000 0.308 276 V C -0.213 175.966 176.094 0.141 0.000 1.099 276 V CA -1.237 61.140 62.300 0.129 0.000 0.920 276 V CB 1.316 33.220 31.823 0.135 0.000 1.014 276 V HN 0.862 nan 8.190 nan 0.000 0.425 277 K N 1.836 122.311 120.400 0.125 0.000 2.344 277 K HA 0.520 4.840 4.320 -0.000 0.000 0.260 277 K C 0.564 177.257 176.600 0.155 0.000 0.988 277 K CA 0.479 56.836 56.287 0.117 0.000 0.909 277 K CB 0.550 33.109 32.500 0.098 0.000 0.968 277 K HN 1.129 nan 8.250 nan 0.000 0.505 278 A N 2.987 125.858 122.820 0.084 0.000 2.388 278 A HA 0.262 4.582 4.320 -0.000 0.000 0.257 278 A C -2.170 175.422 177.584 0.013 0.000 1.095 278 A CA -1.363 50.684 52.037 0.015 0.000 0.791 278 A CB -0.124 18.860 19.000 -0.027 0.000 1.029 278 A HN 0.405 nan 8.150 nan 0.000 0.489 279 P HA 0.406 nan 4.420 nan 0.000 0.271 279 P C 0.593 177.782 177.300 -0.185 0.000 1.233 279 P CA 1.485 64.534 63.100 -0.084 0.000 0.764 279 P CB 0.563 32.068 31.700 -0.325 0.000 0.825 280 G N 2.884 111.544 108.800 -0.233 0.000 2.500 280 G HA2 0.111 4.071 3.960 -0.000 0.000 0.209 280 G HA3 0.111 4.071 3.960 -0.000 0.000 0.209 280 G C -1.350 173.295 174.900 -0.425 0.000 1.283 280 G CA -0.535 44.177 45.100 -0.647 0.000 0.960 280 G HN 0.539 nan 8.290 nan 0.000 0.528 281 F N -2.131 117.834 119.950 0.025 0.000 2.654 281 F HA 0.719 5.246 4.527 -0.000 0.000 0.314 281 F C 0.876 176.691 175.800 0.024 0.000 1.116 281 F CA 0.042 58.056 58.000 0.024 0.000 1.017 281 F CB 0.926 39.943 39.000 0.028 0.000 1.285 281 F HN 2.403 nan 8.300 nan 0.000 0.448 282 G N 1.894 110.815 108.800 0.201 0.000 2.547 282 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.271 282 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.271 282 G C 0.209 175.148 174.900 0.065 0.000 1.209 282 G CA 0.695 45.873 45.100 0.131 0.000 0.959 282 G HN 0.799 nan 8.290 nan 0.000 0.563 283 D N 0.126 120.563 120.400 0.062 0.000 2.348 283 D HA 0.046 4.686 4.640 -0.000 0.000 0.216 283 D C 2.368 178.664 176.300 -0.006 0.000 0.970 283 D CA 0.739 54.755 54.000 0.026 0.000 0.889 283 D CB -0.054 40.766 40.800 0.034 0.000 0.912 283 D HN 0.414 nan 8.370 nan 0.000 0.524 284 R N 0.173 120.663 120.500 -0.016 0.000 2.090 284 R HA -0.003 4.337 4.340 -0.000 0.000 0.228 284 R C 2.190 178.403 176.300 -0.145 0.000 1.110 284 R CA 0.608 56.652 56.100 -0.093 0.000 0.973 284 R CB 0.145 30.355 30.300 -0.150 0.000 0.869 284 R HN 0.063 nan 8.270 nan 0.000 0.440 285 R N 1.230 121.647 120.500 -0.140 0.000 2.082 285 R HA -0.180 4.160 4.340 -0.000 0.000 0.234 285 R C 1.718 177.950 176.300 -0.113 0.000 1.136 285 R CA 2.079 58.094 56.100 -0.142 0.000 0.935 285 R CB -0.093 30.155 30.300 -0.087 0.000 0.842 285 R HN 0.114 nan 8.270 nan 0.000 0.430 286 K N 0.129 120.485 120.400 -0.074 0.000 2.097 286 K HA -0.082 4.238 4.320 -0.000 0.000 0.206 286 K C 2.210 178.768 176.600 -0.070 0.000 1.049 286 K CA 1.313 57.562 56.287 -0.062 0.000 0.933 286 K CB -0.206 32.271 32.500 -0.038 0.000 0.717 286 K HN 0.284 nan 8.250 nan 0.000 0.442 287 A N 1.672 124.449 122.820 -0.073 0.000 1.883 287 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 287 A C 2.194 179.720 177.584 -0.096 0.000 1.186 287 A CA 1.558 53.550 52.037 -0.075 0.000 0.624 287 A CB -0.432 18.524 19.000 -0.073 0.000 0.822 287 A HN 0.180 nan 8.150 nan 0.000 0.444 288 M N -1.529 117.995 119.600 -0.127 0.000 2.200 288 M HA -0.060 4.420 4.480 -0.000 0.000 0.265 288 M C 2.169 178.361 176.300 -0.179 0.000 1.066 288 M CA 1.097 56.302 55.300 -0.159 0.000 1.127 288 M CB -0.391 32.089 32.600 -0.200 0.000 1.379 288 M HN 0.456 nan 8.290 nan 0.000 0.420 289 L N 0.742 121.864 121.223 -0.168 0.000 2.131 289 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 289 L C 2.365 179.166 176.870 -0.116 0.000 1.092 289 L CA 1.841 56.584 54.840 -0.162 0.000 0.759 289 L CB -0.696 41.290 42.059 -0.121 0.000 0.903 289 L HN 0.270 nan 8.230 nan 0.000 0.435 290 Q N -0.322 119.423 119.800 -0.091 0.000 2.119 290 Q HA -0.200 4.140 4.340 -0.000 0.000 0.201 290 Q C 1.730 177.690 176.000 -0.065 0.000 0.972 290 Q CA 1.960 57.724 55.803 -0.065 0.000 0.847 290 Q CB -0.309 28.397 28.738 -0.053 0.000 0.903 290 Q HN 0.528 nan 8.270 nan 0.000 0.433 291 D N -0.085 120.266 120.400 -0.081 0.000 2.133 291 D HA -0.196 4.444 4.640 -0.000 0.000 0.192 291 D C 1.754 178.013 176.300 -0.067 0.000 1.001 291 D CA 1.723 55.679 54.000 -0.073 0.000 0.844 291 D CB -0.255 40.492 40.800 -0.089 0.000 0.944 291 D HN 0.393 nan 8.370 nan 0.000 0.447 292 I N 0.800 121.314 120.570 -0.095 0.000 2.226 292 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 292 I C 2.456 178.551 176.117 -0.036 0.000 1.100 292 I CA 1.084 62.338 61.300 -0.076 0.000 1.374 292 I CB -0.311 37.611 38.000 -0.131 0.000 1.057 292 I HN -0.049 nan 8.210 nan 0.000 0.413 293 A N 0.666 123.463 122.820 -0.038 0.000 1.873 293 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 293 A C 2.420 179.998 177.584 -0.009 0.000 1.193 293 A CA 2.760 54.788 52.037 -0.017 0.000 0.629 293 A CB -1.314 17.673 19.000 -0.020 0.000 0.826 293 A HN 0.418 nan 8.150 nan 0.000 0.447 294 T N -0.004 114.540 114.554 -0.017 0.000 2.652 294 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 294 T C 1.766 176.462 174.700 -0.007 0.000 1.039 294 T CA 1.639 63.731 62.100 -0.012 0.000 1.153 294 T CB -0.425 68.431 68.868 -0.019 0.000 0.863 294 T HN 0.296 nan 8.240 nan 0.000 0.428 295 L N 1.703 122.921 121.223 -0.008 0.000 2.362 295 L HA 0.022 4.362 4.340 -0.000 0.000 0.219 295 L C 2.079 178.952 176.870 0.006 0.000 1.134 295 L CA 1.617 56.456 54.840 -0.001 0.000 0.807 295 L CB -0.620 41.440 42.059 0.001 0.000 0.927 295 L HN 0.469 nan 8.230 nan 0.000 0.447 296 T N -5.347 109.213 114.554 0.009 0.000 3.043 296 T HA 0.382 4.732 4.350 -0.000 0.000 0.272 296 T C 1.179 175.893 174.700 0.022 0.000 0.990 296 T CA 0.127 62.237 62.100 0.017 0.000 0.897 296 T CB 0.093 68.978 68.868 0.029 0.000 1.111 296 T HN 0.394 nan 8.240 nan 0.000 0.529 297 G N 0.740 109.550 108.800 0.017 0.000 2.272 297 G HA2 0.093 4.053 3.960 -0.000 0.000 0.280 297 G HA3 0.093 4.053 3.960 -0.000 0.000 0.280 297 G C 0.292 175.213 174.900 0.035 0.000 1.067 297 G CA -0.164 44.950 45.100 0.022 0.000 0.902 297 G HN 1.057 nan 8.290 nan 0.000 0.500 298 G N -1.503 107.315 108.800 0.031 0.000 2.537 298 G HA2 0.775 4.735 3.960 -0.000 0.000 0.323 298 G HA3 0.775 4.735 3.960 -0.000 0.000 0.323 298 G C -0.398 174.513 174.900 0.018 0.000 1.207 298 G CA 0.034 45.156 45.100 0.037 0.000 0.976 298 G HN 0.578 nan 8.290 nan 0.000 0.487 299 T N 0.631 115.194 114.554 0.015 0.000 2.779 299 T HA 0.375 4.724 4.350 -0.000 0.000 0.280 299 T C 0.223 174.922 174.700 -0.002 0.000 0.987 299 T CA -0.276 61.826 62.100 0.003 0.000 0.966 299 T CB 1.558 70.427 68.868 0.002 0.000 0.933 299 T HN 0.346 nan 8.240 nan 0.000 0.442 300 V N 4.742 124.650 119.914 -0.010 0.000 2.450 300 V HA 0.074 4.194 4.120 -0.000 0.000 0.281 300 V C 0.499 176.585 176.094 -0.012 0.000 1.019 300 V CA -0.185 62.107 62.300 -0.015 0.000 1.062 300 V CB -0.427 31.382 31.823 -0.023 0.000 0.979 300 V HN 0.734 nan 8.190 nan 0.000 0.477 301 I N 5.015 125.578 120.570 -0.011 0.000 2.293 301 I HA 0.082 4.252 4.170 -0.000 0.000 0.299 301 I C 0.839 176.950 176.117 -0.011 0.000 1.153 301 I CA 1.060 62.354 61.300 -0.011 0.000 1.302 301 I CB 0.723 38.717 38.000 -0.011 0.000 1.460 301 I HN 0.593 nan 8.210 nan 0.000 0.552 302 S N 4.638 120.331 115.700 -0.011 0.000 2.404 302 S HA 0.167 4.637 4.470 -0.000 0.000 0.309 302 S C 1.302 175.897 174.600 -0.008 0.000 1.076 302 S CA -0.543 57.651 58.200 -0.011 0.000 1.095 302 S CB 0.369 63.562 63.200 -0.012 0.000 0.972 302 S HN 0.689 nan 8.310 nan 0.000 0.484 303 E N 3.184 123.380 120.200 -0.007 0.000 2.267 303 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 303 E C 1.277 177.874 176.600 -0.004 0.000 0.998 303 E CA 1.170 57.567 56.400 -0.005 0.000 0.830 303 E CB 0.194 29.892 29.700 -0.003 0.000 0.751 303 E HN 0.783 nan 8.360 nan 0.000 0.491 304 E N 0.253 120.450 120.200 -0.004 0.000 2.015 304 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 304 E C 1.615 178.213 176.600 -0.004 0.000 0.991 304 E CA 1.250 57.648 56.400 -0.003 0.000 0.802 304 E CB -0.279 29.419 29.700 -0.003 0.000 0.759 304 E HN 0.395 nan 8.360 nan 0.000 0.447 305 I N -1.284 119.282 120.570 -0.005 0.000 3.525 305 I HA 0.364 4.534 4.170 -0.000 0.000 0.311 305 I C 0.410 176.524 176.117 -0.005 0.000 1.329 305 I CA -0.177 61.120 61.300 -0.005 0.000 1.382 305 I CB -0.373 37.623 38.000 -0.006 0.000 1.328 305 I HN 0.047 nan 8.210 nan 0.000 0.493 306 G N 3.122 111.919 108.800 -0.005 0.000 2.374 306 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.289 306 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.289 306 G C -0.375 174.522 174.900 -0.006 0.000 1.004 306 G CA 0.074 45.172 45.100 -0.005 0.000 1.292 306 G HN 0.585 nan 8.290 nan 0.000 0.502 307 M N -0.089 119.507 119.600 -0.006 0.000 2.378 307 M HA 0.332 4.812 4.480 -0.000 0.000 0.289 307 M C -0.381 175.914 176.300 -0.008 0.000 1.136 307 M CA -0.609 54.687 55.300 -0.008 0.000 0.917 307 M CB 2.437 35.032 32.600 -0.008 0.000 1.669 307 M HN 0.311 nan 8.290 nan 0.000 0.461 308 E N 1.712 121.906 120.200 -0.009 0.000 2.191 308 E HA 0.215 4.565 4.350 -0.000 0.000 0.278 308 E C 0.306 176.899 176.600 -0.012 0.000 0.972 308 E CA -0.539 55.856 56.400 -0.010 0.000 0.804 308 E CB 2.471 32.165 29.700 -0.010 0.000 1.110 308 E HN 0.502 nan 8.360 nan 0.000 0.394 309 L N 3.476 124.691 121.223 -0.012 0.000 2.079 309 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 309 L C 1.790 178.649 176.870 -0.019 0.000 1.081 309 L CA 1.927 56.758 54.840 -0.015 0.000 0.752 309 L CB -0.245 41.806 42.059 -0.013 0.000 0.896 309 L HN 0.605 nan 8.230 nan 0.000 0.433 310 E N -0.007 120.183 120.200 -0.017 0.000 2.110 310 E HA -0.271 4.079 4.350 -0.000 0.000 0.193 310 E C 1.583 178.169 176.600 -0.022 0.000 0.988 310 E CA 1.478 57.866 56.400 -0.019 0.000 0.804 310 E CB -0.300 29.391 29.700 -0.016 0.000 0.745 310 E HN 0.639 nan 8.360 nan 0.000 0.458 311 K N 0.898 121.286 120.400 -0.020 0.000 2.476 311 K HA 0.332 4.652 4.320 -0.000 0.000 0.196 311 K C 0.315 176.901 176.600 -0.024 0.000 1.025 311 K CA -0.009 56.266 56.287 -0.020 0.000 1.138 311 K CB 0.499 32.989 32.500 -0.015 0.000 0.860 311 K HN -0.081 nan 8.250 nan 0.000 0.515 312 A N 1.620 124.424 122.820 -0.028 0.000 2.401 312 A HA 0.328 4.648 4.320 -0.000 0.000 0.259 312 A C 0.266 177.821 177.584 -0.048 0.000 1.103 312 A CA -0.350 51.667 52.037 -0.034 0.000 0.789 312 A CB 0.367 19.347 19.000 -0.033 0.000 1.035 312 A HN 0.502 nan 8.150 nan 0.000 0.491 313 T N -0.100 114.423 114.554 -0.052 0.000 2.870 313 T HA 0.505 4.855 4.350 -0.000 0.000 0.277 313 T C 1.249 175.884 174.700 -0.108 0.000 1.000 313 T CA -0.738 61.319 62.100 -0.073 0.000 0.982 313 T CB 0.411 69.248 68.868 -0.053 0.000 1.249 313 T HN 0.336 nan 8.240 nan 0.000 0.589 314 L N 0.174 121.305 121.223 -0.153 0.000 2.081 314 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 314 L C 2.907 179.718 176.870 -0.099 0.000 1.080 314 L CA 1.997 56.691 54.840 -0.243 0.000 0.754 314 L CB -0.675 41.234 42.059 -0.250 0.000 0.893 314 L HN 0.887 nan 8.230 nan 0.000 0.433 315 E N 0.812 120.987 120.200 -0.041 0.000 2.095 315 E HA -0.301 4.049 4.350 -0.000 0.000 0.212 315 E C 1.558 178.168 176.600 0.016 0.000 1.044 315 E CA 2.310 58.712 56.400 0.002 0.000 0.857 315 E CB -0.096 29.601 29.700 -0.005 0.000 0.764 315 E HN 0.470 nan 8.360 nan 0.000 0.462 316 D N -0.110 120.287 120.400 -0.004 0.000 2.348 316 D HA -0.048 4.592 4.640 -0.000 0.000 0.216 316 D C 0.313 176.629 176.300 0.027 0.000 0.970 316 D CA 0.313 54.316 54.000 0.006 0.000 0.889 316 D CB -0.051 40.744 40.800 -0.008 0.000 0.912 316 D HN 0.270 nan 8.370 nan 0.000 0.524 317 L N 1.205 122.451 121.223 0.039 0.000 2.380 317 L HA 0.248 4.588 4.340 -0.000 0.000 0.273 317 L C 1.379 178.356 176.870 0.178 0.000 1.138 317 L CA -0.470 54.433 54.840 0.105 0.000 0.832 317 L CB 0.993 43.110 42.059 0.096 0.000 1.124 317 L HN -0.099 nan 8.230 nan 0.000 0.454 318 G N 2.289 111.179 108.800 0.149 0.000 2.599 318 G HA2 0.439 4.399 3.960 -0.000 0.000 0.264 318 G HA3 0.439 4.399 3.960 -0.000 0.000 0.264 318 G C -0.797 174.184 174.900 0.135 0.000 1.200 318 G CA -0.302 44.868 45.100 0.117 0.000 0.896 318 G HN 0.633 nan 8.290 nan 0.000 0.536 319 Q N -1.355 118.472 119.800 0.045 0.000 2.416 319 Q HA 0.612 4.952 4.340 -0.000 0.000 0.281 319 Q C -0.789 175.188 176.000 -0.038 0.000 1.067 319 Q CA -0.792 54.981 55.803 -0.050 0.000 0.809 319 Q CB 2.608 31.262 28.738 -0.140 0.000 1.418 319 Q HN 0.828 nan 8.270 nan 0.000 0.411 320 A N 0.863 123.649 122.820 -0.058 0.000 2.527 320 A HA 0.429 4.749 4.320 -0.000 0.000 0.293 320 A C -0.200 177.357 177.584 -0.046 0.000 1.117 320 A CA -0.582 51.437 52.037 -0.029 0.000 0.723 320 A CB 1.679 20.682 19.000 0.005 0.000 1.313 320 A HN 0.778 nan 8.150 nan 0.000 0.411 321 K N -0.563 119.820 120.400 -0.028 0.000 2.103 321 K HA 0.058 4.378 4.320 -0.000 0.000 0.204 321 K C 0.594 177.181 176.600 -0.021 0.000 1.052 321 K CA 1.274 57.544 56.287 -0.029 0.000 0.945 321 K CB 0.054 32.542 32.500 -0.019 0.000 0.722 321 K HN 0.600 nan 8.250 nan 0.000 0.443 322 R N -1.112 119.382 120.500 -0.009 0.000 2.709 322 R HA 0.270 4.610 4.340 -0.000 0.000 0.270 322 R C -2.061 174.247 176.300 0.014 0.000 1.038 322 R CA -0.689 55.411 56.100 0.000 0.000 0.872 322 R CB 2.075 32.373 30.300 -0.003 0.000 1.259 322 R HN -0.118 nan 8.270 nan 0.000 0.473 323 V N 2.206 122.133 119.914 0.022 0.000 2.686 323 V HA 0.529 4.649 4.120 -0.000 0.000 0.306 323 V C -0.931 175.177 176.094 0.023 0.000 1.065 323 V CA -0.814 61.506 62.300 0.034 0.000 0.894 323 V CB 2.088 33.950 31.823 0.064 0.000 1.004 323 V HN 0.442 nan 8.190 nan 0.000 0.424 324 V N 6.075 125.995 119.914 0.009 0.000 2.376 324 V HA 0.568 4.688 4.120 -0.000 0.000 0.287 324 V C -0.596 175.487 176.094 -0.019 0.000 1.015 324 V CA -0.238 62.059 62.300 -0.004 0.000 0.834 324 V CB 1.455 33.269 31.823 -0.015 0.000 1.001 324 V HN 0.736 nan 8.190 nan 0.000 0.428 325 I N 5.573 126.151 120.570 0.014 0.000 2.447 325 I HA 0.532 4.702 4.170 -0.000 0.000 0.287 325 I C -0.042 176.109 176.117 0.057 0.000 1.023 325 I CA -0.351 60.957 61.300 0.013 0.000 1.083 325 I CB 1.853 39.916 38.000 0.104 0.000 1.245 325 I HN 0.758 nan 8.210 nan 0.000 0.434 326 N N 4.642 123.289 118.700 -0.088 0.000 2.989 326 N HA 0.349 5.089 4.740 -0.000 0.000 0.338 326 N C 0.603 175.710 175.510 -0.670 0.000 1.369 326 N CA -0.993 51.961 53.050 -0.160 0.000 0.794 326 N CB 0.490 38.926 38.487 -0.086 0.000 1.359 326 N HN 0.467 nan 8.380 nan 0.000 0.609 327 K N -1.271 118.727 120.400 -0.670 0.000 2.360 327 K HA -0.103 4.217 4.320 -0.000 0.000 0.201 327 K C -0.343 176.003 176.600 -0.423 0.000 1.046 327 K CA 1.478 57.320 56.287 -0.741 0.000 0.945 327 K CB -0.109 32.211 32.500 -0.299 0.000 0.750 327 K HN 0.541 nan 8.250 nan 0.000 0.464 328 D N -0.238 119.982 120.400 -0.300 0.000 2.461 328 D HA 0.016 4.656 4.640 -0.000 0.000 0.266 328 D C 0.087 176.271 176.300 -0.193 0.000 1.085 328 D CA 0.631 54.514 54.000 -0.195 0.000 0.887 328 D CB 1.061 41.786 40.800 -0.125 0.000 1.309 328 D HN 0.288 nan 8.370 nan 0.000 0.498 329 T N -0.976 113.443 114.554 -0.224 0.000 2.912 329 T HA 0.581 4.931 4.350 -0.000 0.000 0.299 329 T C -0.363 174.143 174.700 -0.324 0.000 1.052 329 T CA -0.628 61.315 62.100 -0.262 0.000 0.996 329 T CB 2.444 71.200 68.868 -0.187 0.000 1.070 329 T HN -0.320 nan 8.240 nan 0.000 0.465 330 T N 2.440 116.665 114.554 -0.549 0.000 2.859 330 T HA 0.675 5.025 4.350 -0.000 0.000 0.281 330 T C -0.479 173.959 174.700 -0.436 0.000 1.005 330 T CA -0.551 61.227 62.100 -0.537 0.000 1.025 330 T CB 1.389 69.777 68.868 -0.800 0.000 0.977 330 T HN 0.800 nan 8.240 nan 0.000 0.458 331 T N 3.134 117.582 114.554 -0.176 0.000 2.881 331 T HA 0.475 4.825 4.350 -0.000 0.000 0.291 331 T C -0.167 174.543 174.700 0.017 0.000 0.990 331 T CA -0.497 61.569 62.100 -0.058 0.000 0.976 331 T CB 0.597 69.436 68.868 -0.047 0.000 0.970 331 T HN 0.429 nan 8.240 nan 0.000 0.438 332 I N 3.858 124.475 120.570 0.077 0.000 2.312 332 I HA 0.363 4.533 4.170 -0.000 0.000 0.291 332 I C -0.122 176.022 176.117 0.046 0.000 1.031 332 I CA -0.560 60.786 61.300 0.076 0.000 1.293 332 I CB 0.787 38.854 38.000 0.111 0.000 1.403 332 I HN 0.503 nan 8.210 nan 0.000 0.484 333 I N 6.418 127.004 120.570 0.028 0.000 2.297 333 I HA 0.130 4.300 4.170 -0.000 0.000 0.291 333 I C -0.161 175.962 176.117 0.011 0.000 1.033 333 I CA -0.164 61.145 61.300 0.015 0.000 1.253 333 I CB 0.460 38.464 38.000 0.006 0.000 1.396 333 I HN 0.587 nan 8.210 nan 0.000 0.476 334 D N 5.267 125.673 120.400 0.010 0.000 3.763 334 D HA -0.130 4.510 4.640 -0.000 0.000 0.232 334 D C 0.118 176.418 176.300 0.001 0.000 1.108 334 D CA 0.902 54.904 54.000 0.004 0.000 1.117 334 D CB -0.042 40.757 40.800 -0.002 0.000 0.846 334 D HN 0.755 nan 8.370 nan 0.000 0.405 335 G N 1.263 110.066 108.800 0.006 0.000 2.476 335 G HA2 0.433 4.393 3.960 -0.000 0.000 0.286 335 G HA3 0.433 4.393 3.960 -0.000 0.000 0.286 335 G C 1.503 176.401 174.900 -0.003 0.000 1.177 335 G CA -0.249 44.853 45.100 0.003 0.000 0.870 335 G HN 0.337 nan 8.290 nan 0.000 0.528 336 V N 2.093 122.001 119.914 -0.008 0.000 2.233 336 V HA -0.114 4.006 4.120 -0.000 0.000 0.252 336 V C 2.175 178.267 176.094 -0.003 0.000 1.063 336 V CA 2.363 64.657 62.300 -0.009 0.000 1.032 336 V CB -1.440 30.378 31.823 -0.008 0.000 0.645 336 V HN 1.766 nan 8.190 nan 0.000 0.446 337 G N 1.353 110.154 108.800 0.001 0.000 2.261 337 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 337 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 337 G C -0.387 174.512 174.900 -0.000 0.000 0.572 337 G CA 0.270 45.371 45.100 0.001 0.000 1.011 337 G HN 0.672 nan 8.290 nan 0.000 0.328 338 E N 1.416 121.617 120.200 0.001 0.000 2.603 338 E HA 0.158 4.508 4.350 -0.000 0.000 0.242 338 E C 1.316 177.916 176.600 -0.001 0.000 1.083 338 E CA 0.447 56.847 56.400 0.000 0.000 0.950 338 E CB 0.638 30.339 29.700 0.001 0.000 0.952 338 E HN 0.645 nan 8.360 nan 0.000 0.498 339 E N 3.890 124.089 120.200 -0.002 0.000 2.086 339 E HA -0.321 4.029 4.350 -0.000 0.000 0.205 339 E C 1.780 178.378 176.600 -0.003 0.000 1.027 339 E CA 2.165 58.564 56.400 -0.002 0.000 0.830 339 E CB -0.259 29.439 29.700 -0.002 0.000 0.751 339 E HN 0.596 nan 8.360 nan 0.000 0.456 340 A N 0.220 123.039 122.820 -0.003 0.000 1.933 340 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 340 A C 2.358 179.939 177.584 -0.004 0.000 1.175 340 A CA 2.193 54.229 52.037 -0.003 0.000 0.628 340 A CB -0.799 18.200 19.000 -0.002 0.000 0.814 340 A HN 0.370 nan 8.150 nan 0.000 0.444 341 A N -0.475 122.342 122.820 -0.004 0.000 2.066 341 A HA 0.117 4.437 4.320 -0.000 0.000 0.218 341 A C 1.996 179.576 177.584 -0.007 0.000 1.157 341 A CA 1.058 53.091 52.037 -0.005 0.000 0.670 341 A CB -0.475 18.523 19.000 -0.004 0.000 0.804 341 A HN 0.505 nan 8.150 nan 0.000 0.453 342 I N -0.798 119.768 120.570 -0.007 0.000 2.141 342 I HA -0.277 3.893 4.170 -0.000 0.000 0.236 342 I C 2.621 178.732 176.117 -0.009 0.000 1.071 342 I CA 1.500 62.795 61.300 -0.008 0.000 1.345 342 I CB -0.493 37.504 38.000 -0.006 0.000 1.066 342 I HN 0.313 nan 8.210 nan 0.000 0.406 343 Q N 0.712 120.508 119.800 -0.008 0.000 2.291 343 Q HA -0.087 4.253 4.340 -0.000 0.000 0.205 343 Q C 2.223 178.218 176.000 -0.009 0.000 0.970 343 Q CA 1.358 57.156 55.803 -0.008 0.000 0.876 343 Q CB -0.319 28.415 28.738 -0.006 0.000 0.935 343 Q HN 0.641 nan 8.270 nan 0.000 0.455 344 G N 0.675 109.470 108.800 -0.009 0.000 2.404 344 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.214 344 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.214 344 G C 1.434 176.327 174.900 -0.012 0.000 1.189 344 G CA 0.134 45.229 45.100 -0.009 0.000 0.789 344 G HN 0.105 nan 8.290 nan 0.000 0.533 345 R N 0.252 120.744 120.500 -0.013 0.000 2.193 345 R HA 0.009 4.349 4.340 -0.000 0.000 0.229 345 R C 2.443 178.731 176.300 -0.019 0.000 1.110 345 R CA 0.756 56.846 56.100 -0.017 0.000 0.988 345 R CB -0.285 30.003 30.300 -0.019 0.000 0.871 345 R HN 0.347 nan 8.270 nan 0.000 0.458 346 V N 0.144 120.048 119.914 -0.017 0.000 2.379 346 V HA -0.087 4.033 4.120 -0.000 0.000 0.243 346 V C 2.351 178.435 176.094 -0.016 0.000 1.035 346 V CA 1.594 63.883 62.300 -0.017 0.000 1.035 346 V CB -0.496 31.319 31.823 -0.014 0.000 0.673 346 V HN 0.344 nan 8.190 nan 0.000 0.457 347 A N -0.824 121.988 122.820 -0.013 0.000 2.121 347 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 347 A C 2.182 179.758 177.584 -0.013 0.000 1.154 347 A CA 1.774 53.804 52.037 -0.012 0.000 0.679 347 A CB -0.387 18.607 19.000 -0.009 0.000 0.795 347 A HN 0.604 nan 8.150 nan 0.000 0.458 348 Q N -0.350 119.441 119.800 -0.015 0.000 2.123 348 Q HA -0.003 4.337 4.340 -0.000 0.000 0.196 348 Q C 1.840 177.828 176.000 -0.020 0.000 0.958 348 Q CA 1.067 56.861 55.803 -0.016 0.000 0.841 348 Q CB -0.114 28.614 28.738 -0.016 0.000 0.915 348 Q HN 0.678 nan 8.270 nan 0.000 0.455 349 I N 0.478 121.034 120.570 -0.024 0.000 2.439 349 I HA -0.191 3.979 4.170 -0.000 0.000 0.251 349 I C 2.666 178.766 176.117 -0.028 0.000 1.139 349 I CA 0.598 61.880 61.300 -0.030 0.000 1.438 349 I CB -0.282 37.696 38.000 -0.036 0.000 1.085 349 I HN 0.174 nan 8.210 nan 0.000 0.427 350 R N 0.849 121.335 120.500 -0.022 0.000 2.120 350 R HA -0.214 4.126 4.340 -0.000 0.000 0.234 350 R C 2.270 178.561 176.300 -0.016 0.000 1.123 350 R CA 1.411 57.500 56.100 -0.019 0.000 0.975 350 R CB -0.113 30.179 30.300 -0.015 0.000 0.866 350 R HN 0.408 nan 8.270 nan 0.000 0.446 351 Q N 0.073 119.864 119.800 -0.015 0.000 2.402 351 Q HA -0.080 4.260 4.340 -0.000 0.000 0.206 351 Q C 1.276 177.268 176.000 -0.015 0.000 0.919 351 Q CA 0.760 56.556 55.803 -0.012 0.000 0.923 351 Q CB 0.357 29.089 28.738 -0.010 0.000 1.048 351 Q HN 0.448 nan 8.270 nan 0.000 0.515 352 Q N 0.148 119.936 119.800 -0.020 0.000 2.230 352 Q HA -0.026 4.314 4.340 -0.000 0.000 0.202 352 Q C 1.942 177.926 176.000 -0.027 0.000 0.963 352 Q CA 1.160 56.949 55.803 -0.024 0.000 0.866 352 Q CB 0.102 28.821 28.738 -0.032 0.000 0.931 352 Q HN 0.463 nan 8.270 nan 0.000 0.452 353 I N 0.070 120.624 120.570 -0.027 0.000 2.500 353 I HA -0.160 4.010 4.170 -0.000 0.000 0.252 353 I C 2.100 178.208 176.117 -0.014 0.000 1.142 353 I CA 0.569 61.854 61.300 -0.025 0.000 1.451 353 I CB -0.204 37.781 38.000 -0.025 0.000 1.093 353 I HN 0.071 nan 8.210 nan 0.000 0.430 354 E N 1.859 122.053 120.200 -0.010 0.000 2.058 354 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 354 E C 1.495 178.094 176.600 -0.002 0.000 0.997 354 E CA 1.511 57.908 56.400 -0.004 0.000 0.801 354 E CB -0.162 29.535 29.700 -0.004 0.000 0.746 354 E HN 0.682 nan 8.360 nan 0.000 0.450 355 E N 0.170 120.368 120.200 -0.004 0.000 2.370 355 E HA 0.356 4.706 4.350 -0.000 0.000 0.194 355 E C -0.263 176.336 176.600 -0.001 0.000 1.057 355 E CA -0.237 56.163 56.400 -0.001 0.000 1.011 355 E CB 0.351 30.050 29.700 -0.001 0.000 1.132 355 E HN -0.045 nan 8.360 nan 0.000 0.450 356 A N 1.673 124.491 122.820 -0.004 0.000 2.395 356 A HA 0.154 4.474 4.320 -0.000 0.000 0.286 356 A C 1.144 178.734 177.584 0.010 0.000 1.193 356 A CA -0.322 51.713 52.037 -0.004 0.000 0.852 356 A CB -0.021 18.969 19.000 -0.016 0.000 1.118 356 A HN 0.317 nan 8.150 nan 0.000 0.524 357 T N 0.067 114.631 114.554 0.017 0.000 3.361 357 T HA 0.275 4.625 4.350 -0.000 0.000 0.251 357 T C 0.710 175.432 174.700 0.036 0.000 1.131 357 T CA 0.493 62.608 62.100 0.025 0.000 1.001 357 T CB -1.001 67.882 68.868 0.025 0.000 1.003 357 T HN 1.068 nan 8.240 nan 0.000 0.558 358 S N -0.537 115.188 115.700 0.041 0.000 3.127 358 S HA 0.373 4.843 4.470 -0.000 0.000 0.314 358 S C -0.479 174.155 174.600 0.058 0.000 1.238 358 S CA -0.685 57.549 58.200 0.057 0.000 1.074 358 S CB 0.636 63.888 63.200 0.086 0.000 1.417 358 S HN 0.018 nan 8.310 nan 0.000 0.597 359 D N -0.704 119.746 120.400 0.083 0.000 2.431 359 D HA 0.175 4.815 4.640 -0.000 0.000 0.227 359 D C 1.342 177.708 176.300 0.111 0.000 1.030 359 D CA 0.496 54.546 54.000 0.083 0.000 0.897 359 D CB 0.014 40.865 40.800 0.084 0.000 1.058 359 D HN 0.470 nan 8.370 nan 0.000 0.500 360 Y N 2.413 122.727 120.300 0.024 0.000 2.220 360 Y HA -0.071 4.479 4.550 -0.000 0.000 0.291 360 Y C 1.291 177.207 175.900 0.026 0.000 1.129 360 Y CA 1.310 59.427 58.100 0.028 0.000 1.161 360 Y CB -0.038 38.441 38.460 0.032 0.000 0.997 360 Y HN -0.210 nan 8.280 nan 0.000 0.522 361 D N 0.121 120.425 120.400 -0.159 0.000 2.371 361 D HA -0.046 4.594 4.640 -0.000 0.000 0.234 361 D C 1.643 177.857 176.300 -0.144 0.000 1.049 361 D CA 0.517 54.383 54.000 -0.223 0.000 0.907 361 D CB 0.027 40.787 40.800 -0.067 0.000 0.891 361 D HN 0.475 nan 8.370 nan 0.000 0.531 362 R N 0.118 120.555 120.500 -0.105 0.000 2.164 362 R HA 0.044 4.384 4.340 -0.000 0.000 0.198 362 R C 1.802 178.060 176.300 -0.071 0.000 1.028 362 R CA 0.117 56.180 56.100 -0.060 0.000 1.083 362 R CB 0.559 30.851 30.300 -0.013 0.000 1.026 362 R HN -0.004 nan 8.270 nan 0.000 0.514 363 E N 1.397 121.554 120.200 -0.071 0.000 2.005 363 E HA -0.263 4.087 4.350 -0.000 0.000 0.198 363 E C 1.772 178.319 176.600 -0.088 0.000 1.010 363 E CA 2.176 58.547 56.400 -0.048 0.000 0.825 363 E CB -0.060 29.647 29.700 0.012 0.000 0.769 363 E HN 0.258 nan 8.360 nan 0.000 0.456 364 K N 0.838 121.132 120.400 -0.176 0.000 2.160 364 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 364 K C 2.043 178.564 176.600 -0.132 0.000 1.047 364 K CA 1.268 57.454 56.287 -0.167 0.000 0.930 364 K CB -0.191 32.138 32.500 -0.284 0.000 0.720 364 K HN 0.023 nan 8.250 nan 0.000 0.450 365 L N 2.320 123.462 121.223 -0.136 0.000 2.005 365 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 365 L C 2.909 179.740 176.870 -0.066 0.000 1.072 365 L CA 2.204 56.986 54.840 -0.097 0.000 0.744 365 L CB -1.455 40.550 42.059 -0.089 0.000 0.895 365 L HN 0.588 nan 8.230 nan 0.000 0.433 366 Q N -0.550 119.217 119.800 -0.055 0.000 2.437 366 Q HA -0.178 4.162 4.340 -0.000 0.000 0.210 366 Q C 1.474 177.454 176.000 -0.033 0.000 0.972 366 Q CA 1.030 56.811 55.803 -0.038 0.000 0.903 366 Q CB -0.129 28.592 28.738 -0.029 0.000 0.967 366 Q HN 0.550 nan 8.270 nan 0.000 0.486 367 E N 1.215 121.392 120.200 -0.038 0.000 2.028 367 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 367 E C 2.138 178.721 176.600 -0.029 0.000 0.984 367 E CA 0.810 57.194 56.400 -0.027 0.000 0.800 367 E CB 0.060 29.744 29.700 -0.027 0.000 0.758 367 E HN 0.329 nan 8.360 nan 0.000 0.448 368 R N 0.500 120.974 120.500 -0.044 0.000 2.096 368 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 368 R C 2.651 178.930 176.300 -0.035 0.000 1.127 368 R CA 1.410 57.482 56.100 -0.046 0.000 0.968 368 R CB -0.447 29.814 30.300 -0.066 0.000 0.861 368 R HN 0.212 nan 8.270 nan 0.000 0.440 369 V N -1.778 118.116 119.914 -0.033 0.000 2.407 369 V HA -0.131 3.989 4.120 -0.000 0.000 0.248 369 V C 2.112 178.195 176.094 -0.018 0.000 1.055 369 V CA 1.870 64.155 62.300 -0.026 0.000 1.049 369 V CB -0.791 31.017 31.823 -0.025 0.000 0.662 369 V HN 0.269 nan 8.190 nan 0.000 0.455 370 A N 0.516 123.327 122.820 -0.016 0.000 1.930 370 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 370 A C 2.292 179.874 177.584 -0.003 0.000 1.175 370 A CA 1.851 53.883 52.037 -0.009 0.000 0.627 370 A CB -0.538 18.457 19.000 -0.008 0.000 0.815 370 A HN 0.622 nan 8.150 nan 0.000 0.443 371 K N -0.559 119.840 120.400 -0.002 0.000 2.211 371 K HA 0.064 4.384 4.320 -0.000 0.000 0.203 371 K C 1.478 178.081 176.600 0.005 0.000 1.050 371 K CA 1.053 57.345 56.287 0.009 0.000 0.945 371 K CB -0.191 32.317 32.500 0.013 0.000 0.732 371 K HN 0.446 nan 8.250 nan 0.000 0.451 372 L N -0.752 120.468 121.223 -0.007 0.000 2.513 372 L HA 0.103 4.443 4.340 -0.000 0.000 0.222 372 L C 1.788 178.654 176.870 -0.006 0.000 1.096 372 L CA 0.067 54.901 54.840 -0.009 0.000 0.857 372 L CB 0.140 42.188 42.059 -0.018 0.000 1.026 372 L HN 0.134 nan 8.230 nan 0.000 0.469 373 A N -0.331 122.485 122.820 -0.006 0.000 2.284 373 A HA 0.533 4.853 4.320 -0.000 0.000 0.219 373 A C 1.466 179.048 177.584 -0.003 0.000 2.353 373 A CA 0.637 52.671 52.037 -0.006 0.000 1.164 373 A CB -1.062 17.933 19.000 -0.008 0.000 1.293 373 A HN 0.205 nan 8.150 nan 0.000 0.586 374 G N -0.926 107.872 108.800 -0.004 0.000 3.229 374 G HA2 0.463 4.423 3.960 -0.000 0.000 0.165 374 G HA3 0.463 4.423 3.960 -0.000 0.000 0.165 374 G C 0.412 175.311 174.900 -0.001 0.000 1.753 374 G CA 0.297 45.395 45.100 -0.003 0.000 1.054 374 G HN 1.185 nan 8.290 nan 0.000 0.544 375 G N -2.250 106.549 108.800 -0.002 0.000 2.658 375 G HA2 0.521 4.481 3.960 -0.000 0.000 0.292 375 G HA3 0.521 4.481 3.960 -0.000 0.000 0.292 375 G C -1.815 173.085 174.900 -0.001 0.000 1.320 375 G CA -0.352 44.748 45.100 -0.000 0.000 0.933 375 G HN 0.631 nan 8.290 nan 0.000 0.476 376 V N 0.263 120.177 119.914 0.001 0.000 2.495 376 V HA 0.746 4.866 4.120 -0.000 0.000 0.298 376 V C 0.288 176.381 176.094 -0.002 0.000 1.031 376 V CA -0.594 61.706 62.300 0.000 0.000 0.871 376 V CB 1.106 32.933 31.823 0.006 0.000 0.988 376 V HN 1.148 nan 8.190 nan 0.000 0.432 377 A N 4.452 127.269 122.820 -0.004 0.000 2.355 377 A HA 0.933 5.253 4.320 -0.000 0.000 0.324 377 A C -1.030 176.551 177.584 -0.005 0.000 1.117 377 A CA -0.607 51.426 52.037 -0.005 0.000 0.785 377 A CB 1.883 20.879 19.000 -0.008 0.000 1.254 377 A HN 0.659 nan 8.150 nan 0.000 0.453 378 V N 2.909 122.820 119.914 -0.004 0.000 2.588 378 V HA 0.415 4.535 4.120 -0.000 0.000 0.304 378 V C -0.564 175.528 176.094 -0.003 0.000 1.042 378 V CA -0.228 62.070 62.300 -0.003 0.000 0.877 378 V CB 1.687 33.509 31.823 -0.001 0.000 0.996 378 V HN 0.795 nan 8.190 nan 0.000 0.425 379 I N 4.357 124.926 120.570 -0.002 0.000 2.377 379 I HA 0.449 4.619 4.170 -0.000 0.000 0.293 379 I C -0.075 176.043 176.117 0.002 0.000 0.987 379 I CA -0.519 60.780 61.300 -0.001 0.000 1.185 379 I CB 1.581 39.581 38.000 -0.001 0.000 1.341 379 I HN 0.489 nan 8.210 nan 0.000 0.455 380 K N 5.784 126.185 120.400 0.002 0.000 2.339 380 K HA 0.488 4.808 4.320 -0.000 0.000 0.264 380 K C -1.081 175.521 176.600 0.004 0.000 0.986 380 K CA -0.654 55.635 56.287 0.003 0.000 0.866 380 K CB 1.992 34.493 32.500 0.001 0.000 1.103 380 K HN 0.282 nan 8.250 nan 0.000 0.441 381 V N 2.154 122.072 119.914 0.006 0.000 2.498 381 V HA 0.326 4.446 4.120 -0.000 0.000 0.279 381 V C 0.811 176.909 176.094 0.006 0.000 1.048 381 V CA -0.771 61.533 62.300 0.007 0.000 0.967 381 V CB 1.220 33.048 31.823 0.010 0.000 0.988 381 V HN 0.887 nan 8.190 nan 0.000 0.473 382 G N 2.640 111.442 108.800 0.004 0.000 2.389 382 G HA2 0.751 4.711 3.960 -0.000 0.000 0.317 382 G HA3 0.751 4.711 3.960 -0.000 0.000 0.317 382 G C -0.571 174.331 174.900 0.004 0.000 1.137 382 G CA -0.054 45.048 45.100 0.003 0.000 0.870 382 G HN 1.297 nan 8.290 nan 0.000 0.496 383 A N 0.165 122.987 122.820 0.004 0.000 2.577 383 A HA 0.742 5.062 4.320 -0.000 0.000 0.297 383 A C 0.663 178.249 177.584 0.003 0.000 1.060 383 A CA 0.309 52.348 52.037 0.003 0.000 0.697 383 A CB 0.961 19.963 19.000 0.005 0.000 1.281 383 A HN 1.748 nan 8.150 nan 0.000 0.402 384 A N 0.868 123.689 122.820 0.002 0.000 1.873 384 A HA 0.324 4.644 4.320 -0.000 0.000 0.215 384 A C 1.454 179.039 177.584 0.002 0.000 1.186 384 A CA 2.480 54.518 52.037 0.002 0.000 0.616 384 A CB -0.745 18.256 19.000 0.001 0.000 0.823 384 A HN 1.796 nan 8.150 nan 0.000 0.442 385 T N -4.450 110.106 114.554 0.003 0.000 2.870 385 T HA 0.524 4.874 4.350 -0.000 0.000 0.277 385 T C 0.558 175.261 174.700 0.005 0.000 1.000 385 T CA -0.060 62.042 62.100 0.003 0.000 0.982 385 T CB 1.674 70.543 68.868 0.002 0.000 1.249 385 T HN 0.204 nan 8.240 nan 0.000 0.589 386 E N -0.455 119.749 120.200 0.006 0.000 2.307 386 E HA 0.026 4.376 4.350 -0.000 0.000 0.195 386 E C 2.145 178.750 176.600 0.008 0.000 0.975 386 E CA 0.430 56.835 56.400 0.008 0.000 0.878 386 E CB 0.117 29.824 29.700 0.011 0.000 0.845 386 E HN 0.560 nan 8.360 nan 0.000 0.488 387 V N -0.302 119.615 119.914 0.005 0.000 2.594 387 V HA -0.171 3.949 4.120 -0.000 0.000 0.253 387 V C 2.045 178.141 176.094 0.003 0.000 1.069 387 V CA 1.821 64.123 62.300 0.002 0.000 1.082 387 V CB -0.492 31.329 31.823 -0.002 0.000 0.680 387 V HN 0.166 nan 8.190 nan 0.000 0.469 388 E N -0.277 119.925 120.200 0.003 0.000 2.102 388 E HA -0.125 4.225 4.350 -0.000 0.000 0.190 388 E C 2.092 178.695 176.600 0.006 0.000 0.971 388 E CA 0.981 57.383 56.400 0.004 0.000 0.821 388 E CB -0.052 29.650 29.700 0.003 0.000 0.777 388 E HN 0.501 nan 8.360 nan 0.000 0.460 389 M N 1.593 121.197 119.600 0.007 0.000 2.082 389 M HA -0.202 4.278 4.480 -0.000 0.000 0.258 389 M C 1.822 178.130 176.300 0.012 0.000 1.069 389 M CA 1.733 57.039 55.300 0.010 0.000 1.102 389 M CB -0.119 32.487 32.600 0.010 0.000 1.336 389 M HN -0.116 nan 8.290 nan 0.000 0.404 390 K N -0.297 120.111 120.400 0.013 0.000 2.001 390 K HA -0.258 4.062 4.320 -0.000 0.000 0.214 390 K C 2.002 178.611 176.600 0.015 0.000 1.050 390 K CA 2.206 58.502 56.287 0.016 0.000 0.934 390 K CB -0.601 31.909 32.500 0.017 0.000 0.718 390 K HN 0.543 nan 8.250 nan 0.000 0.443 391 E N 1.706 121.913 120.200 0.010 0.000 2.051 391 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 391 E C 1.948 178.555 176.600 0.011 0.000 0.991 391 E CA 1.887 58.292 56.400 0.009 0.000 0.799 391 E CB -0.114 29.588 29.700 0.004 0.000 0.748 391 E HN 0.116 nan 8.360 nan 0.000 0.449 392 K N 0.873 121.279 120.400 0.010 0.000 2.026 392 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 392 K C 2.182 178.791 176.600 0.015 0.000 1.048 392 K CA 2.033 58.327 56.287 0.011 0.000 0.929 392 K CB -0.308 32.197 32.500 0.008 0.000 0.713 392 K HN 0.148 nan 8.250 nan 0.000 0.439 393 K N -0.096 120.314 120.400 0.017 0.000 2.044 393 K HA -0.168 4.152 4.320 -0.000 0.000 0.210 393 K C 1.951 178.568 176.600 0.029 0.000 1.049 393 K CA 1.645 57.945 56.287 0.022 0.000 0.927 393 K CB -0.469 32.044 32.500 0.021 0.000 0.713 393 K HN 0.226 nan 8.250 nan 0.000 0.443 394 A N 1.279 124.116 122.820 0.028 0.000 1.892 394 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 394 A C 2.159 179.764 177.584 0.036 0.000 1.188 394 A CA 1.860 53.916 52.037 0.032 0.000 0.631 394 A CB -0.599 18.415 19.000 0.022 0.000 0.822 394 A HN 0.397 nan 8.150 nan 0.000 0.447 395 R N -0.760 119.756 120.500 0.027 0.000 2.073 395 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 395 R C 2.057 178.379 176.300 0.038 0.000 1.134 395 R CA 1.504 57.620 56.100 0.028 0.000 0.952 395 R CB -0.614 29.697 30.300 0.018 0.000 0.850 395 R HN 0.420 nan 8.270 nan 0.000 0.433 396 V N 1.538 121.472 119.914 0.033 0.000 2.392 396 V HA -0.246 3.874 4.120 -0.000 0.000 0.249 396 V C 2.190 178.314 176.094 0.049 0.000 1.059 396 V CA 1.779 64.098 62.300 0.032 0.000 1.051 396 V CB -0.502 31.334 31.823 0.022 0.000 0.658 396 V HN 0.336 nan 8.190 nan 0.000 0.455 397 E N 0.036 120.278 120.200 0.069 0.000 2.051 397 E HA -0.261 4.089 4.350 -0.000 0.000 0.192 397 E C 2.017 178.758 176.600 0.235 0.000 0.991 397 E CA 1.663 58.138 56.400 0.125 0.000 0.799 397 E CB -0.306 29.475 29.700 0.135 0.000 0.748 397 E HN 0.624 nan 8.360 nan 0.000 0.449 398 D N 0.415 120.908 120.400 0.154 0.000 2.106 398 D HA -0.164 4.476 4.640 -0.000 0.000 0.191 398 D C 1.835 178.216 176.300 0.135 0.000 0.997 398 D CA 1.848 55.923 54.000 0.124 0.000 0.834 398 D CB -0.091 40.742 40.800 0.054 0.000 0.956 398 D HN 0.184 nan 8.370 nan 0.000 0.448 399 A N 0.217 123.091 122.820 0.089 0.000 1.897 399 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 399 A C 2.166 179.786 177.584 0.060 0.000 1.181 399 A CA 0.566 52.641 52.037 0.063 0.000 0.620 399 A CB -0.724 18.299 19.000 0.037 0.000 0.821 399 A HN 0.294 nan 8.150 nan 0.000 0.443 400 L N -0.508 120.741 121.223 0.043 0.000 2.089 400 L HA -0.285 4.055 4.340 -0.000 0.000 0.213 400 L C 2.364 179.205 176.870 -0.048 0.000 1.079 400 L CA 2.640 57.468 54.840 -0.020 0.000 0.758 400 L CB -0.998 41.023 42.059 -0.063 0.000 0.891 400 L HN 0.578 nan 8.230 nan 0.000 0.433 401 H N -1.002 118.076 119.070 0.014 0.000 2.326 401 H HA -0.048 4.508 4.556 0.000 0.000 0.301 401 H C 2.212 177.550 175.328 0.017 0.000 1.081 401 H CA 1.642 57.700 56.048 0.017 0.000 1.334 401 H CB -0.055 29.718 29.762 0.019 0.000 1.385 401 H HN 0.447 nan 8.280 nan 0.000 0.504 402 A N 0.276 123.188 122.820 0.153 0.000 1.902 402 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 402 A C 2.469 180.088 177.584 0.057 0.000 1.181 402 A CA 2.167 54.258 52.037 0.090 0.000 0.623 402 A CB -1.150 17.890 19.000 0.066 0.000 0.818 402 A HN 0.624 nan 8.150 nan 0.000 0.443 403 T N -1.534 113.045 114.554 0.042 0.000 2.684 403 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 403 T C 1.906 176.618 174.700 0.019 0.000 1.036 403 T CA 1.225 63.339 62.100 0.023 0.000 1.148 403 T CB -0.484 68.391 68.868 0.011 0.000 0.863 403 T HN 0.462 nan 8.240 nan 0.000 0.436 404 R N 1.480 121.989 120.500 0.014 0.000 2.200 404 R HA 0.062 4.402 4.340 -0.000 0.000 0.234 404 R C 2.721 179.038 176.300 0.028 0.000 1.127 404 R CA 1.266 57.372 56.100 0.010 0.000 0.989 404 R CB -0.686 29.608 30.300 -0.010 0.000 0.869 404 R HN 0.620 nan 8.270 nan 0.000 0.459 405 A N 0.688 123.535 122.820 0.044 0.000 1.943 405 A HA 0.138 4.458 4.320 -0.000 0.000 0.213 405 A C 2.317 179.921 177.584 0.033 0.000 1.181 405 A CA 0.949 53.014 52.037 0.047 0.000 0.653 405 A CB -0.220 18.817 19.000 0.062 0.000 0.833 405 A HN 0.297 nan 8.150 nan 0.000 0.451 406 A N -0.301 122.537 122.820 0.029 0.000 1.902 406 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 406 A C 2.171 179.766 177.584 0.017 0.000 1.181 406 A CA 1.817 53.867 52.037 0.022 0.000 0.623 406 A CB -0.861 18.150 19.000 0.020 0.000 0.818 406 A HN 0.351 nan 8.150 nan 0.000 0.443 407 V N 1.040 120.964 119.914 0.016 0.000 2.427 407 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 407 V C 2.508 178.608 176.094 0.012 0.000 1.051 407 V CA 2.287 64.594 62.300 0.011 0.000 1.048 407 V CB -0.827 31.000 31.823 0.008 0.000 0.666 407 V HN 0.916 nan 8.190 nan 0.000 0.456 408 E N -0.153 120.056 120.200 0.015 0.000 2.250 408 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 408 E C 1.759 178.368 176.600 0.015 0.000 0.986 408 E CA 1.047 57.456 56.400 0.015 0.000 0.849 408 E CB 0.044 29.755 29.700 0.018 0.000 0.797 408 E HN 0.638 nan 8.360 nan 0.000 0.482 409 E N 0.116 120.326 120.200 0.017 0.000 2.641 409 E HA 0.218 4.568 4.350 -0.000 0.000 0.224 409 E C 0.191 176.799 176.600 0.013 0.000 0.951 409 E CA 0.339 56.748 56.400 0.015 0.000 1.102 409 E CB 1.140 30.850 29.700 0.017 0.000 1.091 409 E HN 0.338 nan 8.360 nan 0.000 0.507 410 G N 0.309 109.117 108.800 0.014 0.000 2.698 410 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.225 410 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.225 410 G C -0.501 174.408 174.900 0.015 0.000 1.345 410 G CA -0.512 44.596 45.100 0.013 0.000 0.871 410 G HN 0.620 nan 8.290 nan 0.000 0.540 411 V N -2.608 117.315 119.914 0.014 0.000 2.962 411 V HA 0.982 5.102 4.120 -0.000 0.000 0.313 411 V C 0.691 176.794 176.094 0.015 0.000 1.099 411 V CA 0.049 62.358 62.300 0.015 0.000 0.971 411 V CB 1.115 32.947 31.823 0.015 0.000 1.028 411 V HN 2.445 nan 8.190 nan 0.000 0.430 412 V N -0.865 119.059 119.914 0.016 0.000 3.156 412 V HA 1.036 5.156 4.120 -0.000 0.000 0.310 412 V C 0.298 176.404 176.094 0.020 0.000 1.234 412 V CA -0.676 61.635 62.300 0.018 0.000 1.065 412 V CB 1.446 33.280 31.823 0.017 0.000 1.088 412 V HN 1.893 nan 8.190 nan 0.000 0.451 413 A N 0.566 123.400 122.820 0.024 0.000 2.362 413 A HA 0.767 5.087 4.320 -0.000 0.000 0.276 413 A C 0.727 178.325 177.584 0.023 0.000 1.153 413 A CA 0.364 52.416 52.037 0.025 0.000 0.813 413 A CB -0.184 18.837 19.000 0.035 0.000 1.081 413 A HN 1.891 nan 8.150 nan 0.000 0.507 414 G N 0.787 109.597 108.800 0.017 0.000 2.525 414 G HA2 0.485 4.445 3.960 -0.000 0.000 0.276 414 G HA3 0.485 4.445 3.960 -0.000 0.000 0.276 414 G C 1.169 176.081 174.900 0.019 0.000 1.388 414 G CA 0.049 45.158 45.100 0.015 0.000 1.050 414 G HN 2.224 nan 8.290 nan 0.000 0.520 415 G N -2.279 106.533 108.800 0.019 0.000 2.166 415 G HA2 0.197 4.157 3.960 -0.000 0.000 0.260 415 G HA3 0.197 4.157 3.960 -0.000 0.000 0.260 415 G C 1.497 176.422 174.900 0.041 0.000 0.986 415 G CA 1.129 46.249 45.100 0.033 0.000 0.683 415 G HN 2.521 nan 8.290 nan 0.000 0.527 416 G N -2.133 106.686 108.800 0.032 0.000 2.179 416 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.257 416 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.257 416 G C 1.658 176.578 174.900 0.035 0.000 1.010 416 G CA 1.632 46.751 45.100 0.031 0.000 0.736 416 G HN 2.001 nan 8.290 nan 0.000 0.513 417 V N 0.063 120.000 119.914 0.038 0.000 2.270 417 V HA 0.134 4.254 4.120 -0.000 0.000 0.245 417 V C 3.001 179.118 176.094 0.039 0.000 1.043 417 V CA 2.779 65.106 62.300 0.044 0.000 1.014 417 V CB -0.719 31.134 31.823 0.050 0.000 0.645 417 V HN 1.469 nan 8.190 nan 0.000 0.447 418 A N 0.050 122.890 122.820 0.033 0.000 1.896 418 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 418 A C 2.176 179.774 177.584 0.024 0.000 1.206 418 A CA 2.645 54.699 52.037 0.028 0.000 0.647 418 A CB -0.982 18.032 19.000 0.023 0.000 0.828 418 A HN 0.560 nan 8.150 nan 0.000 0.455 419 L N -1.036 120.200 121.223 0.022 0.000 2.046 419 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 419 L C 2.367 179.249 176.870 0.021 0.000 1.077 419 L CA 1.655 56.506 54.840 0.018 0.000 0.747 419 L CB -0.670 41.399 42.059 0.016 0.000 0.896 419 L HN 0.467 nan 8.230 nan 0.000 0.432 420 I N -1.348 119.238 120.570 0.026 0.000 2.335 420 I HA -0.313 3.857 4.170 -0.000 0.000 0.251 420 I C 2.481 178.616 176.117 0.029 0.000 1.129 420 I CA 0.835 62.152 61.300 0.028 0.000 1.402 420 I CB -0.087 37.934 38.000 0.035 0.000 1.069 420 I HN 0.191 nan 8.210 nan 0.000 0.424 421 R N -0.062 120.458 120.500 0.032 0.000 2.057 421 R HA -0.083 4.257 4.340 -0.000 0.000 0.229 421 R C 2.313 178.626 176.300 0.022 0.000 1.136 421 R CA 1.746 57.865 56.100 0.032 0.000 0.952 421 R CB -1.345 28.977 30.300 0.036 0.000 0.848 421 R HN 0.433 nan 8.270 nan 0.000 0.430 422 V N -0.160 119.765 119.914 0.018 0.000 2.626 422 V HA -0.051 4.069 4.120 -0.000 0.000 0.252 422 V C 1.948 178.049 176.094 0.011 0.000 1.067 422 V CA 1.930 64.238 62.300 0.012 0.000 1.081 422 V CB -0.702 31.126 31.823 0.008 0.000 0.686 422 V HN 0.225 nan 8.190 nan 0.000 0.468 423 A N 1.377 124.205 122.820 0.012 0.000 1.972 423 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 423 A C 2.558 180.148 177.584 0.010 0.000 1.169 423 A CA 2.437 54.480 52.037 0.010 0.000 0.635 423 A CB -0.944 18.063 19.000 0.011 0.000 0.810 423 A HN 1.023 nan 8.150 nan 0.000 0.446 424 S N -0.752 114.955 115.700 0.013 0.000 2.470 424 S HA -0.011 4.459 4.470 -0.000 0.000 0.225 424 S C 1.709 176.314 174.600 0.009 0.000 1.006 424 S CA 1.116 59.322 58.200 0.011 0.000 0.934 424 S CB -0.150 63.059 63.200 0.014 0.000 0.778 424 S HN 0.529 nan 8.310 nan 0.000 0.517 425 K N 0.962 121.367 120.400 0.009 0.000 2.211 425 K HA 0.216 4.536 4.320 -0.000 0.000 0.203 425 K C 1.126 177.729 176.600 0.005 0.000 1.050 425 K CA 0.874 57.165 56.287 0.007 0.000 0.945 425 K CB -0.232 32.273 32.500 0.008 0.000 0.732 425 K HN 0.415 nan 8.250 nan 0.000 0.451 426 L N -0.363 120.862 121.223 0.005 0.000 2.741 426 L HA 0.246 4.586 4.340 -0.000 0.000 0.237 426 L C 1.571 178.443 176.870 0.003 0.000 1.178 426 L CA -0.301 54.541 54.840 0.003 0.000 0.973 426 L CB 0.192 42.253 42.059 0.003 0.000 1.255 426 L HN 0.052 nan 8.230 nan 0.000 0.498 427 A N -0.067 122.756 122.820 0.004 0.000 2.076 427 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 427 A C 1.450 179.036 177.584 0.002 0.000 1.160 427 A CA 1.651 53.690 52.037 0.003 0.000 0.653 427 A CB -0.207 18.795 19.000 0.003 0.000 0.801 427 A HN 0.348 nan 8.150 nan 0.000 0.455 428 D N -1.437 118.964 120.400 0.002 0.000 2.395 428 D HA 0.212 4.852 4.640 -0.000 0.000 0.213 428 D C -0.199 176.102 176.300 0.001 0.000 1.110 428 D CA -0.292 53.709 54.000 0.001 0.000 0.835 428 D CB 0.128 40.928 40.800 0.001 0.000 0.965 428 D HN 0.280 nan 8.370 nan 0.000 0.505 429 L N 1.732 122.956 121.223 0.001 0.000 2.410 429 L HA 0.209 4.549 4.340 -0.000 0.000 0.273 429 L C 0.258 177.129 176.870 0.001 0.000 1.152 429 L CA 0.469 55.309 54.840 0.001 0.000 0.855 429 L CB 0.165 42.225 42.059 0.001 0.000 1.129 429 L HN -0.186 nan 8.230 nan 0.000 0.463 430 R N 2.827 123.327 120.500 0.001 0.000 2.888 430 R HA 0.739 5.079 4.340 -0.000 0.000 0.264 430 R C -0.374 175.927 176.300 0.001 0.000 1.045 430 R CA -0.586 55.515 56.100 0.001 0.000 0.962 430 R CB 1.551 31.851 30.300 0.001 0.000 1.210 430 R HN 0.783 nan 8.270 nan 0.000 0.479 431 G N -0.416 108.385 108.800 0.002 0.000 3.075 431 G HA2 0.202 4.162 3.960 -0.000 0.000 0.253 431 G HA3 0.202 4.162 3.960 -0.000 0.000 0.253 431 G C 0.119 175.020 174.900 0.002 0.000 1.353 431 G CA -0.370 44.731 45.100 0.002 0.000 1.051 431 G HN 0.451 nan 8.290 nan 0.000 0.553 432 Q N -0.221 119.580 119.800 0.002 0.000 2.291 432 Q HA -0.000 4.340 4.340 -0.000 0.000 0.206 432 Q C 0.511 176.512 176.000 0.002 0.000 0.976 432 Q CA 1.139 56.944 55.803 0.002 0.000 0.875 432 Q CB -0.059 28.681 28.738 0.003 0.000 0.927 432 Q HN 0.588 nan 8.270 nan 0.000 0.450 433 N N -1.810 116.891 118.700 0.002 0.000 2.961 433 N HA -0.030 4.710 4.740 -0.000 0.000 0.245 433 N C -0.102 175.409 175.510 0.002 0.000 1.404 433 N CA -0.276 52.776 53.050 0.002 0.000 0.880 433 N CB 1.164 39.652 38.487 0.003 0.000 1.461 433 N HN -0.203 nan 8.380 nan 0.000 0.510 434 E N 0.548 120.750 120.200 0.002 0.000 2.085 434 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 434 E C 0.525 177.126 176.600 0.003 0.000 0.994 434 E CA 1.938 58.339 56.400 0.002 0.000 0.801 434 E CB -0.201 29.500 29.700 0.002 0.000 0.743 434 E HN 0.566 nan 8.360 nan 0.000 0.453 435 D N 0.219 120.621 120.400 0.003 0.000 2.106 435 D HA -0.196 4.444 4.640 -0.000 0.000 0.191 435 D C 1.937 178.240 176.300 0.004 0.000 0.997 435 D CA 1.277 55.279 54.000 0.004 0.000 0.834 435 D CB -0.406 40.397 40.800 0.005 0.000 0.956 435 D HN 0.358 nan 8.370 nan 0.000 0.448 436 Q N -0.068 119.734 119.800 0.004 0.000 2.197 436 Q HA -0.168 4.172 4.340 -0.000 0.000 0.207 436 Q C 1.761 177.763 176.000 0.003 0.000 0.984 436 Q CA 1.006 56.812 55.803 0.004 0.000 0.869 436 Q CB -0.026 28.715 28.738 0.004 0.000 0.906 436 Q HN 0.269 nan 8.270 nan 0.000 0.426 437 N N -0.414 118.288 118.700 0.003 0.000 2.171 437 N HA -0.103 4.637 4.740 -0.000 0.000 0.184 437 N C 1.802 177.314 175.510 0.003 0.000 1.021 437 N CA 0.888 53.940 53.050 0.003 0.000 0.854 437 N CB -0.312 38.176 38.487 0.002 0.000 0.994 437 N HN 0.035 nan 8.380 nan 0.000 0.426 438 V N 0.936 120.852 119.914 0.003 0.000 2.343 438 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 438 V C 2.411 178.508 176.094 0.004 0.000 1.051 438 V CA 2.027 64.330 62.300 0.004 0.000 1.036 438 V CB -1.263 30.562 31.823 0.004 0.000 0.654 438 V HN 0.344 nan 8.190 nan 0.000 0.451 439 G N -0.078 108.724 108.800 0.005 0.000 2.446 439 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 439 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 439 G C 1.588 176.491 174.900 0.005 0.000 1.168 439 G CA 1.184 46.287 45.100 0.005 0.000 0.771 439 G HN 0.485 nan 8.290 nan 0.000 0.551 440 I N 0.086 120.658 120.570 0.004 0.000 2.163 440 I HA -0.152 4.018 4.170 -0.000 0.000 0.243 440 I C 2.771 178.890 176.117 0.004 0.000 1.085 440 I CA 1.300 62.602 61.300 0.003 0.000 1.347 440 I CB -0.089 37.912 38.000 0.002 0.000 1.044 440 I HN 0.029 nan 8.210 nan 0.000 0.408 441 K N 0.403 120.806 120.400 0.004 0.000 2.147 441 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 441 K C 1.916 178.518 176.600 0.005 0.000 1.049 441 K CA 0.827 57.116 56.287 0.004 0.000 0.936 441 K CB -0.455 32.047 32.500 0.003 0.000 0.722 441 K HN 0.087 nan 8.250 nan 0.000 0.446 442 V N 0.447 120.364 119.914 0.005 0.000 2.287 442 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 442 V C 2.133 178.231 176.094 0.006 0.000 1.053 442 V CA 2.180 64.484 62.300 0.006 0.000 1.027 442 V CB -0.604 31.223 31.823 0.007 0.000 0.646 442 V HN 0.421 nan 8.190 nan 0.000 0.447 443 A N -0.675 122.148 122.820 0.006 0.000 1.897 443 A HA -0.061 4.259 4.320 -0.000 0.000 0.215 443 A C 2.142 179.730 177.584 0.006 0.000 1.181 443 A CA 1.347 53.387 52.037 0.006 0.000 0.620 443 A CB -0.430 18.573 19.000 0.004 0.000 0.821 443 A HN 0.501 nan 8.150 nan 0.000 0.443 444 L N -1.119 120.107 121.223 0.005 0.000 2.042 444 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 444 L C 2.819 179.693 176.870 0.007 0.000 1.076 444 L CA 1.664 56.507 54.840 0.006 0.000 0.749 444 L CB -0.579 41.483 42.059 0.005 0.000 0.893 444 L HN 0.379 nan 8.230 nan 0.000 0.432 445 R N -0.004 120.500 120.500 0.007 0.000 2.081 445 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 445 R C 2.445 178.750 176.300 0.008 0.000 1.131 445 R CA 1.369 57.473 56.100 0.007 0.000 0.960 445 R CB -0.306 29.997 30.300 0.006 0.000 0.856 445 R HN 0.370 nan 8.270 nan 0.000 0.436 446 A N 0.489 123.314 122.820 0.008 0.000 1.972 446 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 446 A C 2.057 179.647 177.584 0.011 0.000 1.169 446 A CA 1.319 53.361 52.037 0.010 0.000 0.635 446 A CB -0.397 18.609 19.000 0.010 0.000 0.810 446 A HN 0.275 nan 8.150 nan 0.000 0.446 447 M N -0.436 119.170 119.600 0.010 0.000 2.435 447 M HA -0.176 4.304 4.480 -0.000 0.000 0.262 447 M C 1.438 177.746 176.300 0.014 0.000 1.065 447 M CA 1.260 56.567 55.300 0.011 0.000 1.076 447 M CB -0.221 32.386 32.600 0.010 0.000 1.403 447 M HN 0.472 nan 8.290 nan 0.000 0.454 448 E N -0.608 119.600 120.200 0.013 0.000 2.481 448 E HA -0.006 4.344 4.350 -0.000 0.000 0.195 448 E C 1.881 178.489 176.600 0.013 0.000 1.047 448 E CA 0.390 56.798 56.400 0.014 0.000 0.867 448 E CB 0.077 29.784 29.700 0.011 0.000 0.858 448 E HN 0.523 nan 8.360 nan 0.000 0.513 449 A N 2.250 125.078 122.820 0.013 0.000 1.855 449 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 449 A C -0.326 177.267 177.584 0.015 0.000 1.191 449 A CA 0.961 53.005 52.037 0.013 0.000 0.613 449 A CB -1.371 17.636 19.000 0.013 0.000 0.829 449 A HN 0.107 nan 8.150 nan 0.000 0.442 450 P HA -0.183 nan 4.420 nan 0.000 0.216 450 P C 1.774 179.088 177.300 0.024 0.000 1.153 450 P CA 1.033 64.146 63.100 0.021 0.000 0.858 450 P CB -0.121 31.592 31.700 0.022 0.000 0.789 451 L N -1.099 120.140 121.223 0.026 0.000 2.046 451 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 451 L C 2.501 179.384 176.870 0.022 0.000 1.077 451 L CA 1.692 56.552 54.840 0.033 0.000 0.747 451 L CB -0.235 41.845 42.059 0.035 0.000 0.896 451 L HN -0.210 nan 8.230 nan 0.000 0.432 452 R N -0.927 119.580 120.500 0.012 0.000 2.081 452 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 452 R C 2.397 178.700 176.300 0.004 0.000 1.131 452 R CA 1.370 57.471 56.100 0.001 0.000 0.960 452 R CB -0.193 30.108 30.300 0.000 0.000 0.856 452 R HN 0.392 nan 8.270 nan 0.000 0.436 453 Q N 0.329 120.135 119.800 0.011 0.000 2.123 453 Q HA -0.061 4.279 4.340 -0.000 0.000 0.199 453 Q C 2.153 178.164 176.000 0.018 0.000 0.966 453 Q CA 1.248 57.058 55.803 0.012 0.000 0.845 453 Q CB -0.035 28.711 28.738 0.013 0.000 0.907 453 Q HN 0.401 nan 8.270 nan 0.000 0.439 454 I N -0.155 120.431 120.570 0.027 0.000 2.194 454 I HA -0.295 3.875 4.170 -0.000 0.000 0.246 454 I C 2.215 178.363 176.117 0.051 0.000 1.093 454 I CA 0.985 62.308 61.300 0.040 0.000 1.355 454 I CB -0.205 37.826 38.000 0.053 0.000 1.046 454 I HN -0.007 nan 8.210 nan 0.000 0.413 455 V N 0.118 120.057 119.914 0.041 0.000 2.379 455 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 455 V C 2.270 178.371 176.094 0.011 0.000 1.044 455 V CA 1.153 63.468 62.300 0.025 0.000 1.036 455 V CB -0.381 31.410 31.823 -0.054 0.000 0.664 455 V HN 0.308 nan 8.190 nan 0.000 0.453 456 L N 0.769 121.995 121.223 0.004 0.000 2.083 456 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 456 L C 2.006 178.882 176.870 0.009 0.000 1.083 456 L CA 1.873 56.715 54.840 0.002 0.000 0.752 456 L CB -1.359 40.701 42.059 0.001 0.000 0.899 456 L HN 0.424 nan 8.230 nan 0.000 0.433 457 N N -2.163 116.546 118.700 0.014 0.000 2.520 457 N HA -0.158 4.582 4.740 -0.000 0.000 0.185 457 N C 1.425 176.946 175.510 0.018 0.000 1.068 457 N CA 0.971 54.030 53.050 0.015 0.000 0.911 457 N CB -0.074 38.422 38.487 0.015 0.000 0.961 457 N HN 0.377 nan 8.380 nan 0.000 0.446 458 C N -0.306 119.011 119.300 0.029 0.000 2.696 458 C HA 0.261 4.721 4.460 -0.000 0.000 0.264 458 C C 1.673 176.678 174.990 0.025 0.000 1.288 458 C CA -0.015 59.023 59.018 0.035 0.000 1.717 458 C CB -0.827 26.957 27.740 0.072 0.000 1.893 458 C HN 0.620 nan 8.230 nan 0.000 0.577 459 G N 1.614 110.423 108.800 0.015 0.000 2.160 459 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.251 459 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.251 459 G C -0.307 174.596 174.900 0.006 0.000 1.008 459 G CA 0.314 45.419 45.100 0.009 0.000 0.724 459 G HN 0.622 nan 8.290 nan 0.000 0.514 460 E N -0.014 120.187 120.200 0.002 0.000 2.264 460 E HA 0.478 4.828 4.350 -0.000 0.000 0.260 460 E C -0.048 176.530 176.600 -0.036 0.000 0.961 460 E CA -0.903 55.486 56.400 -0.017 0.000 0.834 460 E CB 0.902 30.585 29.700 -0.028 0.000 1.230 460 E HN 0.418 nan 8.360 nan 0.000 0.412 461 E N 1.797 121.970 120.200 -0.045 0.000 2.166 461 E HA 0.065 4.415 4.350 -0.000 0.000 0.279 461 E C -2.058 174.505 176.600 -0.061 0.000 1.095 461 E CA -1.536 54.839 56.400 -0.041 0.000 0.888 461 E CB 0.688 30.371 29.700 -0.029 0.000 1.041 461 E HN 0.236 nan 8.360 nan 0.000 0.414 462 P HA -0.130 nan 4.420 nan 0.000 0.221 462 P C 1.212 178.485 177.300 -0.044 0.000 1.150 462 P CA 0.970 64.040 63.100 -0.050 0.000 0.800 462 P CB 0.249 31.934 31.700 -0.026 0.000 0.787 463 S N -2.109 113.572 115.700 -0.032 0.000 2.528 463 S HA 0.040 4.510 4.470 -0.000 0.000 0.219 463 S C 1.775 176.360 174.600 -0.025 0.000 0.985 463 S CA 0.171 58.357 58.200 -0.023 0.000 0.914 463 S CB -1.102 62.089 63.200 -0.014 0.000 0.776 463 S HN -0.061 nan 8.310 nan 0.000 0.526 464 V N 1.157 121.051 119.914 -0.034 0.000 2.500 464 V HA -0.006 4.114 4.120 -0.000 0.000 0.243 464 V C 2.461 178.535 176.094 -0.033 0.000 1.039 464 V CA 0.995 63.278 62.300 -0.028 0.000 1.053 464 V CB -0.206 31.604 31.823 -0.022 0.000 0.695 464 V HN 0.401 nan 8.190 nan 0.000 0.463 465 V N 0.420 120.286 119.914 -0.081 0.000 2.270 465 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 465 V C 2.756 178.832 176.094 -0.029 0.000 1.043 465 V CA 2.083 64.322 62.300 -0.102 0.000 1.014 465 V CB -1.088 30.503 31.823 -0.388 0.000 0.645 465 V HN 0.542 nan 8.190 nan 0.000 0.447 466 A N 0.277 123.076 122.820 -0.035 0.000 1.903 466 A HA -0.329 3.991 4.320 -0.000 0.000 0.219 466 A C 2.031 179.615 177.584 0.001 0.000 1.191 466 A CA 2.538 54.572 52.037 -0.005 0.000 0.638 466 A CB -0.918 18.078 19.000 -0.006 0.000 0.823 466 A HN 0.601 nan 8.150 nan 0.000 0.451 467 N N -0.370 118.325 118.700 -0.010 0.000 2.036 467 N HA -0.160 4.580 4.740 -0.000 0.000 0.195 467 N C 2.044 177.544 175.510 -0.016 0.000 1.037 467 N CA 2.617 55.660 53.050 -0.011 0.000 0.855 467 N CB -0.760 37.718 38.487 -0.016 0.000 1.033 467 N HN 0.722 nan 8.380 nan 0.000 0.423 468 T N -2.084 112.443 114.554 -0.046 0.000 2.904 468 T HA -0.010 4.340 4.350 -0.000 0.000 0.267 468 T C 2.016 176.717 174.700 0.002 0.000 1.059 468 T CA 1.028 63.071 62.100 -0.096 0.000 1.137 468 T CB -0.689 67.994 68.868 -0.309 0.000 0.879 468 T HN -0.055 nan 8.240 nan 0.000 0.467 469 V N 1.715 121.638 119.914 0.015 0.000 2.427 469 V HA -0.094 4.026 4.120 -0.000 0.000 0.248 469 V C 2.803 178.976 176.094 0.131 0.000 1.051 469 V CA 1.696 64.047 62.300 0.085 0.000 1.048 469 V CB -0.563 31.299 31.823 0.065 0.000 0.666 469 V HN 0.510 nan 8.190 nan 0.000 0.456 470 K N 0.266 120.707 120.400 0.068 0.000 2.211 470 K HA -0.060 4.260 4.320 -0.000 0.000 0.203 470 K C 2.098 178.728 176.600 0.050 0.000 1.050 470 K CA 1.189 57.508 56.287 0.054 0.000 0.945 470 K CB -0.449 32.068 32.500 0.027 0.000 0.732 470 K HN 0.560 nan 8.250 nan 0.000 0.451 471 G N 0.865 109.691 108.800 0.044 0.000 2.625 471 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.214 471 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.214 471 G C 0.669 175.558 174.900 -0.018 0.000 1.132 471 G CA 0.532 45.636 45.100 0.007 0.000 0.782 471 G HN 0.337 nan 8.290 nan 0.000 0.538 472 G N -0.954 107.876 108.800 0.050 0.000 2.702 472 G HA2 0.540 4.500 3.960 -0.000 0.000 0.254 472 G HA3 0.540 4.500 3.960 -0.000 0.000 0.254 472 G C -1.213 173.696 174.900 0.014 0.000 1.380 472 G CA -0.496 44.571 45.100 -0.054 0.000 1.042 472 G HN 0.100 nan 8.290 nan 0.000 0.557 473 D N -1.953 118.455 120.400 0.013 0.000 2.552 473 D HA 0.505 5.145 4.640 -0.000 0.000 0.239 473 D C 0.956 177.300 176.300 0.074 0.000 1.139 473 D CA 0.540 54.557 54.000 0.029 0.000 0.914 473 D CB 1.626 42.417 40.800 -0.015 0.000 1.461 473 D HN 0.837 nan 8.370 nan 0.000 0.462 474 G N 1.607 110.440 108.800 0.056 0.000 2.690 474 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.334 474 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.334 474 G C 0.350 175.303 174.900 0.088 0.000 1.250 474 G CA 0.755 45.891 45.100 0.060 0.000 0.994 474 G HN 0.657 nan 8.290 nan 0.000 0.549 475 N N -0.189 118.571 118.700 0.101 0.000 2.279 475 N HA 0.287 5.027 4.740 -0.000 0.000 0.226 475 N C -0.197 175.411 175.510 0.163 0.000 1.126 475 N CA -0.328 52.785 53.050 0.105 0.000 0.846 475 N CB 0.415 38.946 38.487 0.073 0.000 1.050 475 N HN 0.425 nan 8.380 nan 0.000 0.502 476 Y N 1.778 122.106 120.300 0.046 0.000 2.526 476 Y HA 0.341 4.891 4.550 -0.000 0.000 0.330 476 Y C 0.634 176.595 175.900 0.101 0.000 1.156 476 Y CA 0.140 58.281 58.100 0.068 0.000 1.419 476 Y CB 0.267 38.755 38.460 0.048 0.000 1.250 476 Y HN 0.050 nan 8.280 nan 0.000 0.540 477 G N 4.153 112.824 108.800 -0.216 0.000 2.649 477 G HA2 0.277 4.237 3.960 -0.000 0.000 0.290 477 G HA3 0.277 4.237 3.960 -0.000 0.000 0.290 477 G C -2.457 172.402 174.900 -0.068 0.000 1.426 477 G CA -0.951 44.075 45.100 -0.123 0.000 0.794 477 G HN 0.502 nan 8.290 nan 0.000 0.483 478 Y N 1.536 121.775 120.300 -0.103 0.000 2.327 478 Y HA 0.502 5.052 4.550 0.000 0.000 0.336 478 Y C 0.256 176.056 175.900 -0.167 0.000 1.035 478 Y CA -1.293 56.700 58.100 -0.179 0.000 1.165 478 Y CB 1.327 39.700 38.460 -0.146 0.000 1.181 478 Y HN 0.411 nan 8.280 nan 0.000 0.494 479 N N 4.998 123.275 118.700 -0.705 0.000 2.602 479 N HA 0.171 4.911 4.740 -0.000 0.000 0.238 479 N C 0.520 175.490 175.510 -0.899 0.000 1.084 479 N CA 0.518 53.219 53.050 -0.582 0.000 0.952 479 N CB 0.963 39.224 38.487 -0.377 0.000 1.244 479 N HN 0.896 nan 8.380 nan 0.000 0.512 480 A N 3.521 125.970 122.820 -0.618 0.000 1.978 480 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 480 A C 2.048 179.479 177.584 -0.257 0.000 1.170 480 A CA 1.899 53.714 52.037 -0.371 0.000 0.636 480 A CB -0.495 18.484 19.000 -0.035 0.000 0.810 480 A HN 0.673 nan 8.150 nan 0.000 0.448 481 A N -0.724 121.964 122.820 -0.220 0.000 1.929 481 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 481 A C 2.235 179.724 177.584 -0.158 0.000 1.176 481 A CA 2.171 54.122 52.037 -0.143 0.000 0.628 481 A CB -0.821 18.116 19.000 -0.106 0.000 0.816 481 A HN 0.827 nan 8.150 nan 0.000 0.444 482 T N -2.661 111.757 114.554 -0.226 0.000 3.054 482 T HA 0.212 4.562 4.350 -0.000 0.000 0.255 482 T C 0.207 174.770 174.700 -0.230 0.000 1.035 482 T CA 0.605 62.593 62.100 -0.187 0.000 0.941 482 T CB -0.439 68.336 68.868 -0.156 0.000 1.026 482 T HN 0.629 nan 8.240 nan 0.000 0.533 483 E N 1.684 121.667 120.200 -0.361 0.000 2.403 483 E HA -0.231 4.119 4.350 -0.000 0.000 0.241 483 E C -0.433 175.960 176.600 -0.345 0.000 1.201 483 E CA 0.928 57.108 56.400 -0.366 0.000 0.721 483 E CB -2.225 27.436 29.700 -0.064 0.000 1.245 483 E HN 0.948 nan 8.360 nan 0.000 0.392 484 E N -0.428 119.481 120.200 -0.485 0.000 2.367 484 E HA 0.526 4.876 4.350 -0.000 0.000 0.273 484 E C -0.742 175.625 176.600 -0.388 0.000 0.903 484 E CA -1.036 55.166 56.400 -0.329 0.000 0.764 484 E CB 0.943 30.581 29.700 -0.104 0.000 1.252 484 E HN 0.084 nan 8.360 nan 0.000 0.446 485 Y N 0.220 120.520 120.300 0.000 0.000 2.300 485 Y HA 0.616 5.166 4.550 -0.000 0.000 0.328 485 Y C 1.123 176.998 175.900 -0.041 0.000 1.270 485 Y CA 0.732 58.779 58.100 -0.088 0.000 1.352 485 Y CB 1.605 39.993 38.460 -0.121 0.000 1.286 485 Y HN 0.839 nan 8.280 nan 0.000 0.536 486 G N 0.467 109.310 108.800 0.072 0.000 2.321 486 G HA2 0.010 3.970 3.960 -0.000 0.000 0.296 486 G HA3 0.010 3.970 3.960 -0.000 0.000 0.296 486 G C -1.933 173.054 174.900 0.145 0.000 1.287 486 G CA -1.197 43.999 45.100 0.160 0.000 0.846 486 G HN 0.534 nan 8.290 nan 0.000 0.508 487 N N 1.061 119.843 118.700 0.137 0.000 2.411 487 N HA 0.107 4.847 4.740 -0.000 0.000 0.259 487 N C 1.713 177.256 175.510 0.054 0.000 1.103 487 N CA -0.465 52.652 53.050 0.111 0.000 0.954 487 N CB 0.822 39.365 38.487 0.093 0.000 1.085 487 N HN 0.384 nan 8.380 nan 0.000 0.485 488 M N 3.471 123.097 119.600 0.044 0.000 2.159 488 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 488 M C 1.558 177.867 176.300 0.015 0.000 1.063 488 M CA 1.019 56.328 55.300 0.016 0.000 1.110 488 M CB -0.557 32.053 32.600 0.016 0.000 1.374 488 M HN 0.528 nan 8.290 nan 0.000 0.411 489 I N 0.610 121.195 120.570 0.025 0.000 2.252 489 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 489 I C 1.915 178.042 176.117 0.016 0.000 1.102 489 I CA 1.360 62.672 61.300 0.020 0.000 1.385 489 I CB -1.530 36.484 38.000 0.024 0.000 1.064 489 I HN 0.236 nan 8.210 nan 0.000 0.414 490 D N 0.699 121.111 120.400 0.021 0.000 2.144 490 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 490 D C 2.233 178.537 176.300 0.007 0.000 0.984 490 D CA 1.137 55.147 54.000 0.017 0.000 0.834 490 D CB -0.129 40.686 40.800 0.025 0.000 0.955 490 D HN 0.335 nan 8.370 nan 0.000 0.465 491 M N -0.638 118.963 119.600 0.002 0.000 2.659 491 M HA 0.121 4.601 4.480 -0.000 0.000 0.243 491 M C 1.109 177.399 176.300 -0.015 0.000 1.111 491 M CA 0.662 55.955 55.300 -0.013 0.000 1.070 491 M CB 0.248 32.831 32.600 -0.028 0.000 1.525 491 M HN 0.049 nan 8.290 nan 0.000 0.517 492 G N 2.264 111.060 108.800 -0.007 0.000 2.176 492 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.252 492 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.252 492 G C 0.059 174.953 174.900 -0.009 0.000 1.024 492 G CA -0.194 44.903 45.100 -0.006 0.000 0.755 492 G HN 0.565 nan 8.290 nan 0.000 0.507 493 I N 1.286 121.849 120.570 -0.011 0.000 2.257 493 I HA 0.335 4.505 4.170 -0.000 0.000 0.290 493 I C 0.531 176.648 176.117 -0.001 0.000 1.137 493 I CA -0.270 61.023 61.300 -0.012 0.000 1.255 493 I CB 0.152 38.137 38.000 -0.025 0.000 1.485 493 I HN 0.000 nan 8.210 nan 0.000 0.534 494 L N 4.217 125.442 121.223 0.003 0.000 2.296 494 L HA 0.521 4.861 4.340 -0.000 0.000 0.286 494 L C -0.559 176.319 176.870 0.012 0.000 1.023 494 L CA -0.775 54.071 54.840 0.009 0.000 0.812 494 L CB 1.441 43.506 42.059 0.010 0.000 1.223 494 L HN 0.324 nan 8.230 nan 0.000 0.421 495 D N 3.734 124.143 120.400 0.015 0.000 2.175 495 D HA 0.366 5.006 4.640 -0.000 0.000 0.248 495 D C -2.442 173.870 176.300 0.020 0.000 1.047 495 D CA -1.525 52.486 54.000 0.018 0.000 0.883 495 D CB 1.752 42.563 40.800 0.019 0.000 1.180 495 D HN 0.200 nan 8.370 nan 0.000 0.438 496 P HA 0.131 nan 4.420 nan 0.000 0.276 496 P C 0.691 178.005 177.300 0.023 0.000 1.235 496 P CA -0.227 62.888 63.100 0.025 0.000 0.772 496 P CB 0.766 32.486 31.700 0.033 0.000 0.871 497 T N 2.477 117.043 114.554 0.019 0.000 2.684 497 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 497 T C 1.630 176.338 174.700 0.014 0.000 1.036 497 T CA 1.467 63.576 62.100 0.014 0.000 1.148 497 T CB -0.448 68.427 68.868 0.011 0.000 0.863 497 T HN 0.495 nan 8.240 nan 0.000 0.436 498 K N 0.743 121.154 120.400 0.018 0.000 2.144 498 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 498 K C 2.311 178.929 176.600 0.029 0.000 1.047 498 K CA 1.741 58.041 56.287 0.022 0.000 0.927 498 K CB -0.361 32.159 32.500 0.034 0.000 0.716 498 K HN 0.364 nan 8.250 nan 0.000 0.454 499 V N -0.948 118.987 119.914 0.034 0.000 2.446 499 V HA -0.122 3.998 4.120 -0.000 0.000 0.244 499 V C 1.739 177.851 176.094 0.030 0.000 1.039 499 V CA 2.132 64.457 62.300 0.042 0.000 1.045 499 V CB -0.529 31.320 31.823 0.044 0.000 0.681 499 V HN 0.315 nan 8.190 nan 0.000 0.459 500 T N 0.888 115.454 114.554 0.021 0.000 2.720 500 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 500 T C 2.074 176.774 174.700 0.000 0.000 1.037 500 T CA 2.107 64.215 62.100 0.014 0.000 1.144 500 T CB -0.449 68.427 68.868 0.012 0.000 0.864 500 T HN 0.508 nan 8.240 nan 0.000 0.444 501 R N 0.953 121.446 120.500 -0.010 0.000 2.075 501 R HA -0.004 4.336 4.340 -0.000 0.000 0.232 501 R C 2.468 178.717 176.300 -0.084 0.000 1.126 501 R CA 1.506 57.583 56.100 -0.039 0.000 0.963 501 R CB -0.635 29.642 30.300 -0.037 0.000 0.858 501 R HN 0.292 nan 8.270 nan 0.000 0.435 502 S N 0.891 116.551 115.700 -0.067 0.000 2.355 502 S HA -0.081 4.389 4.470 -0.000 0.000 0.222 502 S C 2.077 176.655 174.600 -0.037 0.000 1.031 502 S CA 1.157 59.281 58.200 -0.127 0.000 0.993 502 S CB -0.307 62.944 63.200 0.086 0.000 0.859 502 S HN 0.548 nan 8.310 nan 0.000 0.453 503 A N 1.892 124.743 122.820 0.051 0.000 1.884 503 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 503 A C 2.120 179.721 177.584 0.028 0.000 1.197 503 A CA 1.542 53.621 52.037 0.070 0.000 0.637 503 A CB -0.974 18.055 19.000 0.049 0.000 0.827 503 A HN 0.463 nan 8.150 nan 0.000 0.450 504 L N -0.867 120.347 121.223 -0.014 0.000 2.017 504 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 504 L C 2.816 179.652 176.870 -0.058 0.000 1.073 504 L CA 2.272 57.096 54.840 -0.026 0.000 0.745 504 L CB -0.693 41.348 42.059 -0.030 0.000 0.894 504 L HN 0.569 nan 8.230 nan 0.000 0.432 505 Q N -1.162 118.550 119.800 -0.148 0.000 2.020 505 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 505 Q C 2.053 177.942 176.000 -0.185 0.000 0.982 505 Q CA 2.075 57.740 55.803 -0.230 0.000 0.838 505 Q CB -0.231 28.262 28.738 -0.408 0.000 0.899 505 Q HN 0.489 nan 8.270 nan 0.000 0.423 506 Y N -0.201 120.102 120.300 0.006 0.000 2.242 506 Y HA -0.107 4.443 4.550 -0.000 0.000 0.291 506 Y C 2.290 178.193 175.900 0.005 0.000 1.137 506 Y CA 0.792 58.895 58.100 0.005 0.000 1.181 506 Y CB -0.782 37.680 38.460 0.003 0.000 0.989 506 Y HN 0.136 nan 8.280 nan 0.000 0.527 507 A N 0.109 123.012 122.820 0.137 0.000 1.873 507 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 507 A C 2.479 180.097 177.584 0.057 0.000 1.186 507 A CA 1.896 53.983 52.037 0.084 0.000 0.616 507 A CB -1.213 17.821 19.000 0.057 0.000 0.823 507 A HN 0.368 nan 8.150 nan 0.000 0.442 508 A N -0.998 121.843 122.820 0.035 0.000 1.930 508 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 508 A C 2.454 180.056 177.584 0.030 0.000 1.175 508 A CA 2.050 54.100 52.037 0.021 0.000 0.627 508 A CB -0.948 18.053 19.000 0.003 0.000 0.815 508 A HN 0.524 nan 8.150 nan 0.000 0.443 509 S N -0.739 114.986 115.700 0.042 0.000 2.359 509 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 509 S C 2.044 176.678 174.600 0.056 0.000 1.035 509 S CA 2.112 60.344 58.200 0.054 0.000 1.018 509 S CB -0.572 62.682 63.200 0.090 0.000 0.876 509 S HN 0.960 nan 8.310 nan 0.000 0.448 510 V N 0.809 120.762 119.914 0.065 0.000 2.446 510 V HA 0.243 4.363 4.120 -0.000 0.000 0.244 510 V C 2.391 178.507 176.094 0.037 0.000 1.039 510 V CA 1.567 63.896 62.300 0.048 0.000 1.045 510 V CB -1.249 30.601 31.823 0.046 0.000 0.681 510 V HN 0.477 nan 8.190 nan 0.000 0.459 511 A N 1.207 124.049 122.820 0.037 0.000 1.884 511 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 511 A C 2.484 180.083 177.584 0.025 0.000 1.197 511 A CA 2.645 54.699 52.037 0.028 0.000 0.637 511 A CB -1.841 17.174 19.000 0.026 0.000 0.827 511 A HN 0.896 nan 8.150 nan 0.000 0.450 512 G N -0.298 108.516 108.800 0.025 0.000 2.599 512 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 512 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 512 G C 1.597 176.510 174.900 0.022 0.000 1.193 512 G CA 1.318 46.430 45.100 0.021 0.000 0.778 512 G HN 0.459 nan 8.290 nan 0.000 0.589 513 L N -0.303 120.934 121.223 0.024 0.000 2.017 513 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 513 L C 3.191 180.075 176.870 0.024 0.000 1.073 513 L CA 1.197 56.051 54.840 0.024 0.000 0.745 513 L CB -0.258 41.816 42.059 0.025 0.000 0.894 513 L HN 0.262 nan 8.230 nan 0.000 0.432 514 M N -0.237 119.378 119.600 0.024 0.000 2.149 514 M HA -0.230 4.250 4.480 -0.000 0.000 0.261 514 M C 2.156 178.470 176.300 0.023 0.000 1.064 514 M CA 1.787 57.102 55.300 0.024 0.000 1.102 514 M CB -0.453 32.162 32.600 0.024 0.000 1.369 514 M HN 0.371 nan 8.290 nan 0.000 0.408 515 I N -1.969 118.614 120.570 0.021 0.000 3.444 515 I HA -0.042 4.128 4.170 -0.000 0.000 0.287 515 I C 1.491 177.620 176.117 0.021 0.000 1.302 515 I CA 1.125 62.437 61.300 0.019 0.000 1.368 515 I CB -0.601 37.409 38.000 0.017 0.000 1.048 515 I HN 0.171 nan 8.210 nan 0.000 0.487 516 T N -2.471 112.096 114.554 0.023 0.000 3.134 516 T HA 0.207 4.557 4.350 -0.000 0.000 0.260 516 T C 0.613 175.330 174.700 0.029 0.000 1.027 516 T CA -0.291 61.824 62.100 0.024 0.000 0.913 516 T CB -0.716 68.166 68.868 0.023 0.000 1.046 516 T HN 0.215 nan 8.240 nan 0.000 0.553 517 T N 2.649 117.221 114.554 0.029 0.000 2.834 517 T HA 0.241 4.591 4.350 -0.000 0.000 0.298 517 T C 0.767 175.492 174.700 0.041 0.000 0.966 517 T CA -0.043 62.077 62.100 0.033 0.000 1.141 517 T CB 1.380 70.267 68.868 0.030 0.000 0.905 517 T HN 0.370 nan 8.240 nan 0.000 0.535 518 E N 0.929 121.163 120.200 0.056 0.000 2.474 518 E HA 0.202 4.552 4.350 -0.000 0.000 0.215 518 E C 0.011 176.685 176.600 0.124 0.000 0.867 518 E CA -0.096 56.357 56.400 0.088 0.000 1.135 518 E CB 0.575 30.335 29.700 0.099 0.000 1.147 518 E HN 0.637 nan 8.360 nan 0.000 0.534 519 C N 0.221 119.557 119.300 0.060 0.000 3.086 519 C HA 0.785 5.245 4.460 -0.000 0.000 0.311 519 C C -1.614 173.331 174.990 -0.074 0.000 1.260 519 C CA -0.665 58.311 59.018 -0.071 0.000 1.426 519 C CB 0.684 28.392 27.740 -0.052 0.000 1.826 519 C HN 0.316 nan 8.230 nan 0.000 0.474 520 M N 4.382 123.915 119.600 -0.111 0.000 2.324 520 M HA 0.542 5.022 4.480 -0.000 0.000 0.288 520 M C -1.355 175.002 176.300 0.095 0.000 1.097 520 M CA -0.462 54.870 55.300 0.053 0.000 0.928 520 M CB 2.214 34.940 32.600 0.211 0.000 1.648 520 M HN 0.438 nan 8.290 nan 0.000 0.460 521 V N 1.629 121.561 119.914 0.031 0.000 2.487 521 V HA 0.815 4.935 4.120 -0.000 0.000 0.298 521 V C -0.285 175.752 176.094 -0.095 0.000 1.028 521 V CA -0.303 61.986 62.300 -0.018 0.000 0.860 521 V CB 1.993 33.794 31.823 -0.037 0.000 0.991 521 V HN 0.963 nan 8.190 nan 0.000 0.427 522 T N 2.184 116.629 114.554 -0.181 0.000 2.671 522 T HA 0.402 4.752 4.350 -0.000 0.000 0.300 522 T C -1.509 173.061 174.700 -0.217 0.000 1.238 522 T CA -0.505 61.432 62.100 -0.271 0.000 1.020 522 T CB 1.959 70.508 68.868 -0.532 0.000 1.503 522 T HN 0.574 nan 8.240 nan 0.000 0.497 523 D N 1.059 121.340 120.400 -0.199 0.000 2.358 523 D HA 0.423 5.063 4.640 -0.000 0.000 0.244 523 D C 0.099 176.324 176.300 -0.124 0.000 1.163 523 D CA -0.120 53.804 54.000 -0.127 0.000 0.945 523 D CB 0.464 41.206 40.800 -0.098 0.000 1.152 523 D HN 0.409 nan 8.370 nan 0.000 0.451 524 L N 2.394 123.578 121.223 -0.064 0.000 2.439 524 L HA 0.230 4.570 4.340 -0.000 0.000 0.269 524 L C -1.425 175.423 176.870 -0.037 0.000 1.179 524 L CA -1.412 53.408 54.840 -0.034 0.000 0.828 524 L CB 0.292 42.344 42.059 -0.011 0.000 1.106 524 L HN 0.327 nan 8.230 nan 0.000 0.467 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.091 63.100 -0.015 0.000 0.800 525 P CB 0.000 31.704 31.700 0.006 0.000 0.726