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 1sx3_1_D DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.004 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 3 A N 1.567 124.387 122.820 0.001 0.000 2.531 3 A HA 0.521 4.841 4.320 -0.000 0.000 0.236 3 A C 0.170 177.757 177.584 0.004 0.000 1.062 3 A CA 0.383 52.424 52.037 0.007 0.000 0.760 3 A CB -0.061 18.946 19.000 0.013 0.000 0.995 3 A HN 0.585 nan 8.150 nan 0.000 0.501 4 K N 1.717 122.125 120.400 0.014 0.000 2.156 4 K HA 0.359 4.679 4.320 -0.000 0.000 0.254 4 K C -1.045 175.584 176.600 0.049 0.000 0.950 4 K CA -0.705 55.590 56.287 0.013 0.000 0.849 4 K CB 1.640 34.147 32.500 0.011 0.000 1.100 4 K HN 0.743 nan 8.250 nan 0.000 0.434 5 D N 1.222 121.664 120.400 0.070 0.000 2.210 5 D HA 0.321 4.961 4.640 -0.000 0.000 0.249 5 D C -1.109 175.359 176.300 0.279 0.000 1.078 5 D CA -0.509 53.605 54.000 0.190 0.000 0.875 5 D CB 1.205 42.171 40.800 0.278 0.000 1.175 5 D HN 0.030 nan 8.370 nan 0.000 0.440 6 V N 4.268 124.312 119.914 0.217 0.000 2.531 6 V HA 0.427 4.547 4.120 -0.000 0.000 0.301 6 V C 0.012 176.084 176.094 -0.036 0.000 1.034 6 V CA -0.774 61.579 62.300 0.088 0.000 0.865 6 V CB 1.869 33.709 31.823 0.029 0.000 0.995 6 V HN 0.415 nan 8.190 nan 0.000 0.424 7 K N 3.685 123.949 120.400 -0.226 0.000 2.375 7 K HA 0.763 5.083 4.320 -0.000 0.000 0.249 7 K C -1.654 174.696 176.600 -0.417 0.000 0.942 7 K CA -0.563 55.530 56.287 -0.324 0.000 0.806 7 K CB 2.701 34.820 32.500 -0.634 0.000 1.227 7 K HN 0.452 nan 8.250 nan 0.000 0.430 8 F N -0.032 119.868 119.950 -0.084 0.000 2.577 8 F HA 0.443 4.970 4.527 -0.000 0.000 0.318 8 F C 1.122 176.892 175.800 -0.050 0.000 1.065 8 F CA 0.030 58.003 58.000 -0.044 0.000 0.929 8 F CB 1.944 40.927 39.000 -0.028 0.000 1.237 8 F HN 0.826 nan 8.300 nan 0.000 0.468 9 G N 2.175 111.070 108.800 0.160 0.000 2.614 9 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.303 9 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.303 9 G C 1.099 176.020 174.900 0.034 0.000 1.270 9 G CA 0.617 45.769 45.100 0.088 0.000 0.988 9 G HN 0.704 nan 8.290 nan 0.000 0.551 10 N N 0.627 119.341 118.700 0.023 0.000 2.094 10 N HA -0.148 4.592 4.740 -0.000 0.000 0.191 10 N C 1.789 177.288 175.510 -0.019 0.000 1.023 10 N CA 1.994 55.046 53.050 0.003 0.000 0.857 10 N CB -0.367 38.121 38.487 0.002 0.000 1.013 10 N HN 0.539 nan 8.380 nan 0.000 0.426 11 D N 0.604 120.988 120.400 -0.027 0.000 2.133 11 D HA -0.145 4.495 4.640 -0.000 0.000 0.195 11 D C 1.773 177.996 176.300 -0.129 0.000 0.997 11 D CA 1.248 55.201 54.000 -0.078 0.000 0.840 11 D CB -0.342 40.403 40.800 -0.092 0.000 0.947 11 D HN 0.333 nan 8.370 nan 0.000 0.452 12 A N 0.482 123.234 122.820 -0.114 0.000 1.897 12 A HA 0.055 4.375 4.320 -0.000 0.000 0.215 12 A C 2.401 179.957 177.584 -0.046 0.000 1.181 12 A CA 1.945 53.908 52.037 -0.123 0.000 0.620 12 A CB -1.040 17.905 19.000 -0.093 0.000 0.821 12 A HN 0.297 nan 8.150 nan 0.000 0.443 13 G N -0.027 108.760 108.800 -0.023 0.000 2.446 13 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.217 13 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.217 13 G C 1.681 176.579 174.900 -0.004 0.000 1.168 13 G CA 2.094 47.192 45.100 -0.005 0.000 0.771 13 G HN 1.082 nan 8.290 nan 0.000 0.551 14 V N -0.731 119.174 119.914 -0.015 0.000 2.427 14 V HA -0.037 4.083 4.120 -0.000 0.000 0.248 14 V C 2.487 178.579 176.094 -0.002 0.000 1.051 14 V CA 2.224 64.518 62.300 -0.010 0.000 1.048 14 V CB -0.394 31.421 31.823 -0.014 0.000 0.666 14 V HN 0.129 nan 8.190 nan 0.000 0.456 15 K N 0.165 120.559 120.400 -0.010 0.000 2.026 15 K HA -0.027 4.293 4.320 -0.000 0.000 0.208 15 K C 2.255 178.887 176.600 0.053 0.000 1.048 15 K CA 2.121 58.425 56.287 0.029 0.000 0.929 15 K CB -0.644 31.885 32.500 0.049 0.000 0.713 15 K HN 0.533 nan 8.250 nan 0.000 0.439 16 M N 0.439 120.068 119.600 0.048 0.000 2.080 16 M HA -0.194 4.286 4.480 -0.000 0.000 0.260 16 M C 2.258 178.576 176.300 0.030 0.000 1.068 16 M CA 1.297 56.624 55.300 0.045 0.000 1.109 16 M CB -0.412 32.211 32.600 0.037 0.000 1.342 16 M HN 0.037 nan 8.290 nan 0.000 0.405 17 L N 0.364 121.600 121.223 0.021 0.000 2.083 17 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 17 L C 2.453 179.333 176.870 0.016 0.000 1.083 17 L CA 1.842 56.692 54.840 0.016 0.000 0.752 17 L CB -0.613 41.453 42.059 0.011 0.000 0.899 17 L HN 0.131 nan 8.230 nan 0.000 0.433 18 R N -0.009 120.502 120.500 0.019 0.000 2.075 18 R HA 0.012 4.352 4.340 -0.000 0.000 0.232 18 R C 2.182 178.494 176.300 0.020 0.000 1.126 18 R CA 1.660 57.771 56.100 0.018 0.000 0.963 18 R CB -1.418 28.894 30.300 0.019 0.000 0.858 18 R HN 0.400 nan 8.270 nan 0.000 0.435 19 G N 0.237 109.053 108.800 0.026 0.000 2.418 19 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 19 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 19 G C 1.495 176.405 174.900 0.016 0.000 1.158 19 G CA 1.068 46.181 45.100 0.023 0.000 0.771 19 G HN 0.341 nan 8.290 nan 0.000 0.545 20 V N 0.964 120.888 119.914 0.017 0.000 2.343 20 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 20 V C 2.285 178.385 176.094 0.011 0.000 1.051 20 V CA 2.639 64.947 62.300 0.013 0.000 1.036 20 V CB -0.571 31.261 31.823 0.015 0.000 0.654 20 V HN 0.263 nan 8.190 nan 0.000 0.451 21 N N 0.415 119.121 118.700 0.011 0.000 2.166 21 N HA -0.092 4.648 4.740 -0.000 0.000 0.186 21 N C 1.754 177.268 175.510 0.007 0.000 1.019 21 N CA 1.761 54.816 53.050 0.008 0.000 0.856 21 N CB -0.536 37.956 38.487 0.008 0.000 0.993 21 N HN 0.517 nan 8.380 nan 0.000 0.426 22 V N 1.213 121.131 119.914 0.007 0.000 2.323 22 V HA -0.141 3.979 4.120 -0.000 0.000 0.244 22 V C 2.365 178.460 176.094 0.003 0.000 1.041 22 V CA 0.942 63.245 62.300 0.005 0.000 1.025 22 V CB -0.532 31.294 31.823 0.005 0.000 0.656 22 V HN 0.190 nan 8.190 nan 0.000 0.451 23 L N 0.766 121.991 121.223 0.003 0.000 1.989 23 L HA -0.140 4.200 4.340 -0.000 0.000 0.211 23 L C 2.423 179.294 176.870 0.001 0.000 1.071 23 L CA 2.538 57.379 54.840 0.001 0.000 0.749 23 L CB -0.710 41.349 42.059 0.001 0.000 0.890 23 L HN 0.221 nan 8.230 nan 0.000 0.431 24 A N -0.882 121.940 122.820 0.004 0.000 1.898 24 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 24 A C 1.954 179.540 177.584 0.003 0.000 1.181 24 A CA 1.716 53.756 52.037 0.005 0.000 0.620 24 A CB -0.854 18.151 19.000 0.007 0.000 0.819 24 A HN 0.549 nan 8.150 nan 0.000 0.442 25 D N 0.240 120.642 120.400 0.003 0.000 2.144 25 D HA -0.055 4.584 4.640 -0.000 0.000 0.199 25 D C 2.178 178.478 176.300 0.001 0.000 0.984 25 D CA 1.517 55.518 54.000 0.002 0.000 0.834 25 D CB -0.374 40.427 40.800 0.002 0.000 0.955 25 D HN 0.426 nan 8.370 nan 0.000 0.465 26 A N 0.319 123.139 122.820 -0.000 0.000 1.898 26 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 26 A C 2.477 180.060 177.584 -0.002 0.000 1.181 26 A CA 1.068 53.103 52.037 -0.002 0.000 0.620 26 A CB -0.660 18.338 19.000 -0.003 0.000 0.819 26 A HN 0.149 nan 8.150 nan 0.000 0.442 27 V N 1.288 121.201 119.914 -0.002 0.000 2.453 27 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 27 V C 2.572 178.666 176.094 -0.000 0.000 1.048 27 V CA 2.225 64.524 62.300 -0.002 0.000 1.049 27 V CB -0.637 31.185 31.823 -0.002 0.000 0.672 27 V HN 0.849 nan 8.190 nan 0.000 0.457 28 K N 1.242 121.643 120.400 0.001 0.000 2.288 28 K HA -0.073 4.247 4.320 -0.000 0.000 0.201 28 K C 1.867 178.468 176.600 0.002 0.000 1.048 28 K CA 1.635 57.924 56.287 0.003 0.000 0.956 28 K CB -0.530 31.973 32.500 0.004 0.000 0.746 28 K HN 0.465 nan 8.250 nan 0.000 0.461 29 V N 0.362 120.277 119.914 0.001 0.000 2.913 29 V HA -0.132 3.988 4.120 -0.000 0.000 0.260 29 V C 2.058 178.152 176.094 0.000 0.000 1.098 29 V CA 1.779 64.079 62.300 0.001 0.000 1.121 29 V CB -1.226 30.597 31.823 -0.000 0.000 0.714 29 V HN 0.538 nan 8.190 nan 0.000 0.487 30 T N -2.107 112.446 114.554 -0.001 0.000 3.144 30 T HA 0.292 4.642 4.350 -0.000 0.000 0.249 30 T C 0.415 175.115 174.700 -0.001 0.000 1.089 30 T CA -0.132 61.967 62.100 -0.002 0.000 0.989 30 T CB -0.191 68.675 68.868 -0.004 0.000 0.992 30 T HN 0.392 nan 8.240 nan 0.000 0.540 31 L N 2.501 123.725 121.223 0.002 0.000 2.331 31 L HA 0.610 4.950 4.340 -0.000 0.000 0.278 31 L C 0.701 177.574 176.870 0.005 0.000 1.106 31 L CA 1.378 56.220 54.840 0.004 0.000 0.824 31 L CB -0.274 41.789 42.059 0.007 0.000 1.142 31 L HN 0.636 nan 8.230 nan 0.000 0.443 32 G N 4.649 113.451 108.800 0.004 0.000 2.728 32 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.294 32 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.294 32 G C -1.950 172.949 174.900 -0.003 0.000 1.342 32 G CA -0.289 44.813 45.100 0.003 0.000 0.866 32 G HN 0.595 nan 8.290 nan 0.000 0.534 33 P HA 0.020 nan 4.420 nan 0.000 0.220 33 P C 0.979 178.272 177.300 -0.012 0.000 1.148 33 P CA 1.250 64.340 63.100 -0.016 0.000 0.803 33 P CB 0.109 31.791 31.700 -0.029 0.000 0.782 34 K N 0.327 120.724 120.400 -0.005 0.000 2.493 34 K HA 0.243 4.563 4.320 -0.000 0.000 0.207 34 K C 1.049 177.650 176.600 0.001 0.000 1.033 34 K CA -0.198 56.089 56.287 -0.001 0.000 1.161 34 K CB 0.047 32.550 32.500 0.005 0.000 0.873 34 K HN 0.058 nan 8.250 nan 0.000 0.491 35 G N 1.640 110.440 108.800 -0.000 0.000 2.474 35 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.233 35 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.233 35 G C 0.142 175.041 174.900 -0.002 0.000 1.278 35 G CA -0.278 44.822 45.100 -0.000 0.000 0.861 35 G HN 0.092 nan 8.290 nan 0.000 0.567 36 R N 0.833 121.332 120.500 -0.001 0.000 2.596 36 R HA 0.219 4.559 4.340 -0.000 0.000 0.267 36 R C 0.127 176.425 176.300 -0.003 0.000 1.026 36 R CA -0.837 55.261 56.100 -0.002 0.000 1.087 36 R CB 0.634 30.934 30.300 -0.001 0.000 1.132 36 R HN 0.665 nan 8.270 nan 0.000 0.531 37 N N -0.690 118.008 118.700 -0.004 0.000 2.525 37 N HA 0.247 4.987 4.740 -0.000 0.000 0.271 37 N C -0.792 174.715 175.510 -0.004 0.000 1.194 37 N CA -0.313 52.734 53.050 -0.004 0.000 0.964 37 N CB 1.042 39.527 38.487 -0.004 0.000 1.126 37 N HN 0.094 nan 8.380 nan 0.000 0.452 38 V N 1.919 121.830 119.914 -0.005 0.000 2.555 38 V HA 0.345 4.465 4.120 -0.000 0.000 0.302 38 V C -0.278 175.812 176.094 -0.006 0.000 1.038 38 V CA -0.821 61.475 62.300 -0.006 0.000 0.887 38 V CB 1.859 33.678 31.823 -0.006 0.000 0.991 38 V HN 0.326 nan 8.190 nan 0.000 0.434 39 V N 6.231 126.141 119.914 -0.007 0.000 2.394 39 V HA 0.478 4.598 4.120 -0.000 0.000 0.282 39 V C -0.263 175.826 176.094 -0.009 0.000 1.031 39 V CA -0.412 61.884 62.300 -0.007 0.000 0.881 39 V CB 1.358 33.176 31.823 -0.007 0.000 0.982 39 V HN 0.620 nan 8.190 nan 0.000 0.451 40 L N 3.803 125.020 121.223 -0.008 0.000 2.319 40 L HA 0.515 4.855 4.340 -0.000 0.000 0.281 40 L C -0.179 176.684 176.870 -0.012 0.000 1.005 40 L CA -0.615 54.219 54.840 -0.010 0.000 0.828 40 L CB 1.627 43.680 42.059 -0.009 0.000 1.227 40 L HN 0.496 nan 8.230 nan 0.000 0.415 41 D N 3.424 123.814 120.400 -0.017 0.000 2.399 41 D HA 0.173 4.813 4.640 -0.000 0.000 0.241 41 D C -0.437 175.848 176.300 -0.024 0.000 1.133 41 D CA 0.431 54.417 54.000 -0.024 0.000 0.890 41 D CB 0.998 41.777 40.800 -0.034 0.000 1.201 41 D HN 0.347 nan 8.370 nan 0.000 0.432 42 K N 0.415 120.798 120.400 -0.027 0.000 2.318 42 K HA 0.187 4.507 4.320 -0.000 0.000 0.249 42 K C 0.982 177.539 176.600 -0.072 0.000 0.942 42 K CA -0.553 55.721 56.287 -0.020 0.000 0.808 42 K CB 1.715 34.223 32.500 0.014 0.000 1.189 42 K HN 0.406 nan 8.250 nan 0.000 0.428 43 S N 1.465 117.106 115.700 -0.098 0.000 2.423 43 S HA -0.012 4.457 4.470 -0.000 0.000 0.231 43 S C 0.336 174.588 174.600 -0.580 0.000 1.014 43 S CA 0.696 58.706 58.200 -0.316 0.000 0.965 43 S CB -0.125 62.898 63.200 -0.294 0.000 0.785 43 S HN 0.390 nan 8.310 nan 0.000 0.495 44 F N 1.061 121.008 119.950 -0.004 0.000 2.540 44 F HA 0.668 5.195 4.527 -0.000 0.000 0.317 44 F C 1.102 176.899 175.800 -0.004 0.000 1.104 44 F CA -0.080 57.918 58.000 -0.004 0.000 0.913 44 F CB 1.633 40.631 39.000 -0.004 0.000 1.170 44 F HN 0.372 nan 8.300 nan 0.000 0.450 45 G N 1.215 110.108 108.800 0.155 0.000 2.601 45 G HA2 0.092 4.052 3.960 -0.000 0.000 0.252 45 G HA3 0.092 4.052 3.960 -0.000 0.000 0.252 45 G C -0.431 174.495 174.900 0.044 0.000 1.294 45 G CA -0.522 44.632 45.100 0.089 0.000 0.912 45 G HN 1.233 nan 8.290 nan 0.000 0.574 46 A N 1.319 124.159 122.820 0.034 0.000 2.388 46 A HA 0.708 5.028 4.320 -0.000 0.000 0.257 46 A C -1.109 176.483 177.584 0.013 0.000 1.095 46 A CA -0.037 52.011 52.037 0.018 0.000 0.791 46 A CB -0.033 18.976 19.000 0.015 0.000 1.029 46 A HN 0.790 nan 8.150 nan 0.000 0.489 47 P HA 0.236 nan 4.420 nan 0.000 0.272 47 P C -0.203 177.098 177.300 0.002 0.000 1.240 47 P CA -0.102 62.998 63.100 -0.000 0.000 0.791 47 P CB 0.258 31.954 31.700 -0.006 0.000 0.978 48 T N 1.680 116.235 114.554 0.001 0.000 2.817 48 T HA 0.414 4.764 4.350 -0.000 0.000 0.293 48 T C 0.355 175.054 174.700 -0.003 0.000 0.964 48 T CA -0.001 62.099 62.100 0.000 0.000 1.085 48 T CB -0.219 68.649 68.868 0.000 0.000 0.921 48 T HN 0.178 nan 8.240 nan 0.000 0.502 49 I N 2.881 123.449 120.570 -0.003 0.000 2.389 49 I HA 0.481 4.651 4.170 -0.000 0.000 0.288 49 I C 0.310 176.424 176.117 -0.005 0.000 0.999 49 I CA -0.494 60.804 61.300 -0.004 0.000 1.129 49 I CB 1.919 39.917 38.000 -0.003 0.000 1.288 49 I HN 0.513 nan 8.210 nan 0.000 0.444 50 T N 4.638 119.188 114.554 -0.006 0.000 2.894 50 T HA 0.394 4.744 4.350 -0.000 0.000 0.309 50 T C -0.226 174.469 174.700 -0.008 0.000 1.208 50 T CA -0.633 61.462 62.100 -0.007 0.000 1.016 50 T CB 1.589 70.452 68.868 -0.008 0.000 1.192 50 T HN 0.654 nan 8.240 nan 0.000 0.491 51 K N 1.946 122.341 120.400 -0.008 0.000 2.478 51 K HA 0.221 4.541 4.320 -0.000 0.000 0.205 51 K C -0.667 175.927 176.600 -0.010 0.000 1.033 51 K CA -0.299 55.983 56.287 -0.008 0.000 1.091 51 K CB 0.476 32.971 32.500 -0.008 0.000 0.844 51 K HN 0.500 nan 8.250 nan 0.000 0.507 52 D N -0.285 120.109 120.400 -0.011 0.000 2.349 52 D HA 0.163 4.803 4.640 -0.000 0.000 0.232 52 D C 1.187 177.479 176.300 -0.013 0.000 1.071 52 D CA -0.403 53.589 54.000 -0.014 0.000 0.832 52 D CB 1.430 42.220 40.800 -0.017 0.000 1.086 52 D HN 0.106 nan 8.370 nan 0.000 0.504 53 G N 2.339 111.131 108.800 -0.012 0.000 2.442 53 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 53 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 53 G C 1.449 176.341 174.900 -0.014 0.000 1.141 53 G CA 0.784 45.877 45.100 -0.011 0.000 0.763 53 G HN 0.480 nan 8.290 nan 0.000 0.554 54 V N 1.244 121.147 119.914 -0.018 0.000 2.343 54 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 54 V C 3.111 179.192 176.094 -0.020 0.000 1.051 54 V CA 2.215 64.502 62.300 -0.022 0.000 1.036 54 V CB -0.576 31.231 31.823 -0.027 0.000 0.654 54 V HN 0.384 nan 8.190 nan 0.000 0.451 55 S N -0.066 115.623 115.700 -0.019 0.000 2.383 55 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 55 S C 1.957 176.548 174.600 -0.014 0.000 1.030 55 S CA 1.538 59.728 58.200 -0.016 0.000 1.002 55 S CB -0.247 62.945 63.200 -0.014 0.000 0.829 55 S HN 0.420 nan 8.310 nan 0.000 0.467 56 V N 1.773 121.679 119.914 -0.013 0.000 2.379 56 V HA -0.084 4.035 4.120 -0.000 0.000 0.245 56 V C 2.669 178.755 176.094 -0.012 0.000 1.044 56 V CA 1.474 63.767 62.300 -0.011 0.000 1.036 56 V CB -1.206 30.611 31.823 -0.009 0.000 0.664 56 V HN 0.533 nan 8.190 nan 0.000 0.453 57 A N 0.030 122.841 122.820 -0.014 0.000 1.933 57 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 57 A C 2.345 179.918 177.584 -0.018 0.000 1.175 57 A CA 1.596 53.623 52.037 -0.015 0.000 0.628 57 A CB -0.511 18.479 19.000 -0.017 0.000 0.814 57 A HN 0.478 nan 8.150 nan 0.000 0.444 58 R N -0.589 119.899 120.500 -0.019 0.000 2.193 58 R HA -0.073 4.267 4.340 -0.000 0.000 0.229 58 R C 1.339 177.628 176.300 -0.019 0.000 1.110 58 R CA 1.117 57.205 56.100 -0.021 0.000 0.988 58 R CB -0.060 30.227 30.300 -0.022 0.000 0.871 58 R HN 0.484 nan 8.270 nan 0.000 0.458 59 E N 0.151 120.341 120.200 -0.016 0.000 2.340 59 E HA 0.040 4.390 4.350 -0.000 0.000 0.194 59 E C 0.442 177.034 176.600 -0.014 0.000 0.996 59 E CA 0.225 56.616 56.400 -0.015 0.000 0.869 59 E CB 0.311 30.003 29.700 -0.013 0.000 0.835 59 E HN 0.105 nan 8.360 nan 0.000 0.493 60 I N 2.381 122.943 120.570 -0.014 0.000 2.436 60 I HA 0.103 4.273 4.170 -0.000 0.000 0.289 60 I C 0.361 176.470 176.117 -0.014 0.000 1.083 60 I CA 0.250 61.543 61.300 -0.012 0.000 1.372 60 I CB -0.085 37.909 38.000 -0.010 0.000 1.408 60 I HN -0.024 nan 8.210 nan 0.000 0.516 61 E N 7.260 127.452 120.200 -0.014 0.000 2.304 61 E HA 0.541 4.891 4.350 -0.000 0.000 0.277 61 E C -1.720 174.872 176.600 -0.013 0.000 0.898 61 E CA -0.621 55.770 56.400 -0.016 0.000 0.764 61 E CB 1.931 31.620 29.700 -0.018 0.000 1.216 61 E HN 0.447 nan 8.360 nan 0.000 0.419 62 L N 3.309 124.525 121.223 -0.012 0.000 2.334 62 L HA 0.400 4.740 4.340 -0.000 0.000 0.270 62 L C 1.448 178.313 176.870 -0.009 0.000 1.018 62 L CA -0.553 54.284 54.840 -0.006 0.000 0.811 62 L CB 1.504 43.564 42.059 0.002 0.000 1.271 62 L HN 0.761 nan 8.230 nan 0.000 0.443 63 E N 0.465 120.663 120.200 -0.003 0.000 2.046 63 E HA -0.151 4.199 4.350 -0.000 0.000 0.190 63 E C 0.433 177.032 176.600 -0.000 0.000 0.982 63 E CA 0.429 56.826 56.400 -0.004 0.000 0.800 63 E CB 0.276 29.977 29.700 0.001 0.000 0.756 63 E HN 0.649 nan 8.360 nan 0.000 0.449 64 D N 0.706 121.117 120.400 0.018 0.000 2.417 64 D HA -0.059 4.581 4.640 -0.000 0.000 0.250 64 D C 0.660 176.972 176.300 0.020 0.000 1.166 64 D CA 0.102 54.129 54.000 0.044 0.000 0.881 64 D CB 0.972 41.818 40.800 0.077 0.000 1.164 64 D HN 0.059 nan 8.370 nan 0.000 0.467 65 K N 3.533 123.913 120.400 -0.033 0.000 2.148 65 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 65 K C 1.855 178.322 176.600 -0.222 0.000 1.050 65 K CA 0.917 57.101 56.287 -0.172 0.000 0.942 65 K CB -0.120 32.193 32.500 -0.312 0.000 0.724 65 K HN 0.477 nan 8.250 nan 0.000 0.446 66 F N 1.973 121.912 119.950 -0.018 0.000 2.187 66 F HA -0.037 4.490 4.527 -0.000 0.000 0.295 66 F C 2.355 178.145 175.800 -0.017 0.000 1.091 66 F CA 0.950 58.937 58.000 -0.021 0.000 1.308 66 F CB -0.411 38.576 39.000 -0.022 0.000 1.030 66 F HN 0.049 nan 8.300 nan 0.000 0.487 67 E N 0.146 120.445 120.200 0.165 0.000 2.085 67 E HA -0.281 4.069 4.350 -0.000 0.000 0.194 67 E C 1.805 178.430 176.600 0.041 0.000 0.994 67 E CA 1.488 57.937 56.400 0.082 0.000 0.801 67 E CB -0.426 29.310 29.700 0.061 0.000 0.743 67 E HN 0.310 nan 8.360 nan 0.000 0.453 68 N N 0.695 119.405 118.700 0.016 0.000 2.104 68 N HA -0.170 4.569 4.740 -0.000 0.000 0.190 68 N C 1.750 177.252 175.510 -0.015 0.000 1.024 68 N CA 1.407 54.451 53.050 -0.010 0.000 0.853 68 N CB -0.028 38.439 38.487 -0.034 0.000 1.008 68 N HN 0.090 nan 8.380 nan 0.000 0.424 69 M N -0.797 118.790 119.600 -0.021 0.000 2.108 69 M HA -0.047 4.433 4.480 -0.000 0.000 0.261 69 M C 2.211 178.517 176.300 0.009 0.000 1.066 69 M CA 1.719 57.008 55.300 -0.017 0.000 1.107 69 M CB -0.617 31.968 32.600 -0.024 0.000 1.356 69 M HN 0.306 nan 8.290 nan 0.000 0.406 70 G N -0.015 108.803 108.800 0.030 0.000 2.440 70 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 70 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 70 G C 1.642 176.551 174.900 0.014 0.000 1.154 70 G CA 1.053 46.169 45.100 0.027 0.000 0.767 70 G HN 0.545 nan 8.290 nan 0.000 0.552 71 A N 0.194 123.020 122.820 0.010 0.000 1.883 71 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 71 A C 2.407 179.989 177.584 -0.004 0.000 1.186 71 A CA 2.048 54.086 52.037 0.003 0.000 0.624 71 A CB -0.381 18.619 19.000 -0.000 0.000 0.822 71 A HN 0.332 nan 8.150 nan 0.000 0.444 72 Q N -0.751 119.044 119.800 -0.009 0.000 2.224 72 Q HA -0.046 4.294 4.340 -0.000 0.000 0.203 72 Q C 2.111 178.104 176.000 -0.012 0.000 0.970 72 Q CA 1.304 57.098 55.803 -0.015 0.000 0.865 72 Q CB -0.498 28.227 28.738 -0.022 0.000 0.922 72 Q HN 0.786 nan 8.270 nan 0.000 0.445 73 M N -0.388 119.209 119.600 -0.005 0.000 2.099 73 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 73 M C 2.264 178.565 176.300 0.003 0.000 1.067 73 M CA 1.117 56.417 55.300 0.000 0.000 1.124 73 M CB -0.377 32.228 32.600 0.008 0.000 1.353 73 M HN 0.044 nan 8.290 nan 0.000 0.410 74 V N 0.271 120.189 119.914 0.006 0.000 2.626 74 V HA -0.219 3.901 4.120 -0.000 0.000 0.252 74 V C 1.982 178.075 176.094 -0.001 0.000 1.067 74 V CA 1.804 64.109 62.300 0.008 0.000 1.081 74 V CB -0.414 31.416 31.823 0.012 0.000 0.686 74 V HN 0.403 nan 8.190 nan 0.000 0.468 75 K N -0.335 120.059 120.400 -0.010 0.000 2.209 75 K HA -0.122 4.197 4.320 -0.000 0.000 0.204 75 K C 2.014 178.594 176.600 -0.034 0.000 1.048 75 K CA 1.228 57.503 56.287 -0.020 0.000 0.940 75 K CB -0.058 32.429 32.500 -0.022 0.000 0.729 75 K HN 0.429 nan 8.250 nan 0.000 0.451 76 E N 0.272 120.453 120.200 -0.032 0.000 2.333 76 E HA -0.143 4.207 4.350 -0.000 0.000 0.198 76 E C 1.832 178.388 176.600 -0.075 0.000 1.007 76 E CA 0.668 57.037 56.400 -0.052 0.000 0.845 76 E CB 0.034 29.716 29.700 -0.031 0.000 0.766 76 E HN 0.106 nan 8.360 nan 0.000 0.507 77 V N 1.335 121.228 119.914 -0.035 0.000 2.244 77 V HA -0.241 3.879 4.120 -0.000 0.000 0.244 77 V C 2.469 178.525 176.094 -0.062 0.000 1.042 77 V CA 1.799 64.088 62.300 -0.018 0.000 1.006 77 V CB -0.919 30.924 31.823 0.033 0.000 0.641 77 V HN 0.253 nan 8.190 nan 0.000 0.446 78 A N 0.805 123.601 122.820 -0.040 0.000 1.903 78 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 78 A C 2.504 180.034 177.584 -0.090 0.000 1.191 78 A CA 2.979 54.987 52.037 -0.047 0.000 0.638 78 A CB -0.883 18.098 19.000 -0.032 0.000 0.823 78 A HN 0.722 nan 8.150 nan 0.000 0.451 79 S N -0.835 114.801 115.700 -0.108 0.000 2.446 79 S HA -0.023 4.447 4.470 -0.000 0.000 0.225 79 S C 1.750 176.234 174.600 -0.193 0.000 1.016 79 S CA 1.104 59.234 58.200 -0.117 0.000 0.943 79 S CB -0.158 62.989 63.200 -0.088 0.000 0.786 79 S HN 0.589 nan 8.310 nan 0.000 0.508 80 K N 1.774 121.973 120.400 -0.334 0.000 2.062 80 K HA 0.214 4.534 4.320 -0.000 0.000 0.205 80 K C 2.525 178.728 176.600 -0.663 0.000 1.051 80 K CA 1.084 56.987 56.287 -0.640 0.000 0.941 80 K CB -0.541 31.278 32.500 -1.135 0.000 0.719 80 K HN 0.443 nan 8.250 nan 0.000 0.440 81 A N 1.688 124.226 122.820 -0.469 0.000 1.908 81 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 81 A C 1.976 179.530 177.584 -0.050 0.000 1.181 81 A CA 2.038 54.018 52.037 -0.095 0.000 0.627 81 A CB -0.728 18.297 19.000 0.042 0.000 0.818 81 A HN 0.275 nan 8.150 nan 0.000 0.445 82 N N 0.406 119.057 118.700 -0.082 0.000 2.025 82 N HA -0.162 4.578 4.740 -0.000 0.000 0.194 82 N C 1.195 176.689 175.510 -0.027 0.000 1.044 82 N CA 1.899 54.923 53.050 -0.043 0.000 0.851 82 N CB -0.396 38.060 38.487 -0.052 0.000 1.036 82 N HN 0.410 nan 8.380 nan 0.000 0.422 83 D N -0.204 120.159 120.400 -0.061 0.000 2.172 83 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 83 D C 1.592 177.892 176.300 0.000 0.000 0.999 83 D CA 1.484 55.460 54.000 -0.039 0.000 0.856 83 D CB -0.489 40.266 40.800 -0.076 0.000 0.934 83 D HN 0.458 nan 8.370 nan 0.000 0.453 84 A N -0.191 122.635 122.820 0.011 0.000 1.975 84 A HA 0.367 4.687 4.320 -0.000 0.000 0.215 84 A C 1.968 179.604 177.584 0.087 0.000 1.170 84 A CA 1.568 53.654 52.037 0.081 0.000 0.656 84 A CB 0.180 19.307 19.000 0.211 0.000 0.821 84 A HN 0.236 nan 8.150 nan 0.000 0.449 85 A N -2.822 120.057 122.820 0.098 0.000 2.548 85 A HA 0.467 4.787 4.320 -0.000 0.000 0.236 85 A C 1.569 179.283 177.584 0.216 0.000 1.246 85 A CA 1.026 53.134 52.037 0.119 0.000 0.993 85 A CB -0.429 18.636 19.000 0.108 0.000 1.209 85 A HN 1.789 nan 8.150 nan 0.000 0.570 86 G N -0.125 108.777 108.800 0.170 0.000 2.296 86 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.282 86 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.282 86 G C -0.128 174.788 174.900 0.026 0.000 1.014 86 G CA 1.070 46.233 45.100 0.104 0.000 0.812 86 G HN 0.829 nan 8.290 nan 0.000 0.508 87 D N -3.044 117.393 120.400 0.060 0.000 2.710 87 D HA 0.532 5.172 4.640 -0.000 0.000 0.276 87 D C 0.879 177.203 176.300 0.040 0.000 1.267 87 D CA 1.121 55.142 54.000 0.035 0.000 0.772 87 D CB 0.236 41.075 40.800 0.065 0.000 1.299 87 D HN 1.310 nan 8.370 nan 0.000 0.421 88 G N 0.152 108.969 108.800 0.029 0.000 2.153 88 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.252 88 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.252 88 G C 0.961 175.878 174.900 0.028 0.000 0.994 88 G CA 1.828 46.948 45.100 0.033 0.000 0.698 88 G HN 0.928 nan 8.290 nan 0.000 0.521 89 T N -3.552 111.010 114.554 0.013 0.000 2.915 89 T HA -0.013 4.337 4.350 -0.000 0.000 0.269 89 T C 2.172 176.876 174.700 0.008 0.000 1.071 89 T CA 2.334 64.436 62.100 0.004 0.000 1.132 89 T CB -0.269 68.591 68.868 -0.014 0.000 0.878 89 T HN 0.286 nan 8.240 nan 0.000 0.479 90 T N 1.715 116.274 114.554 0.008 0.000 2.937 90 T HA -0.001 4.349 4.350 -0.000 0.000 0.260 90 T C 2.218 176.926 174.700 0.014 0.000 1.051 90 T CA 1.415 63.520 62.100 0.008 0.000 1.141 90 T CB -0.672 68.198 68.868 0.004 0.000 0.879 90 T HN 0.455 nan 8.240 nan 0.000 0.459 91 T N 2.369 116.935 114.554 0.019 0.000 2.652 91 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 91 T C 2.432 177.151 174.700 0.031 0.000 1.039 91 T CA 1.289 63.404 62.100 0.024 0.000 1.153 91 T CB -0.645 68.240 68.868 0.028 0.000 0.863 91 T HN 0.414 nan 8.240 nan 0.000 0.428 92 A N 1.259 124.103 122.820 0.039 0.000 1.917 92 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 92 A C 2.552 180.160 177.584 0.040 0.000 1.182 92 A CA 2.403 54.472 52.037 0.053 0.000 0.633 92 A CB -1.339 17.703 19.000 0.069 0.000 0.819 92 A HN 0.505 nan 8.150 nan 0.000 0.448 93 T N -0.781 113.789 114.554 0.026 0.000 2.812 93 T HA -0.093 4.257 4.350 -0.000 0.000 0.264 93 T C 1.972 176.684 174.700 0.019 0.000 1.042 93 T CA 1.548 63.660 62.100 0.019 0.000 1.140 93 T CB -0.575 68.299 68.868 0.010 0.000 0.870 93 T HN 0.566 nan 8.240 nan 0.000 0.445 94 V N 1.186 121.111 119.914 0.018 0.000 2.407 94 V HA -0.070 4.050 4.120 -0.000 0.000 0.248 94 V C 2.140 178.245 176.094 0.018 0.000 1.055 94 V CA 1.541 63.850 62.300 0.016 0.000 1.049 94 V CB -0.779 31.052 31.823 0.013 0.000 0.662 94 V HN 0.488 nan 8.190 nan 0.000 0.455 95 L N 0.444 121.680 121.223 0.023 0.000 2.056 95 L HA -0.016 4.324 4.340 -0.000 0.000 0.207 95 L C 2.976 179.861 176.870 0.025 0.000 1.078 95 L CA 1.649 56.504 54.840 0.024 0.000 0.749 95 L CB -0.868 41.209 42.059 0.029 0.000 0.901 95 L HN 0.456 nan 8.230 nan 0.000 0.433 96 A N -0.477 122.361 122.820 0.029 0.000 1.898 96 A HA -0.272 4.048 4.320 -0.000 0.000 0.216 96 A C 2.267 179.864 177.584 0.022 0.000 1.181 96 A CA 1.776 53.830 52.037 0.029 0.000 0.620 96 A CB -0.572 18.448 19.000 0.034 0.000 0.819 96 A HN 0.507 nan 8.150 nan 0.000 0.442 97 Q N -0.466 119.345 119.800 0.018 0.000 2.119 97 Q HA -0.090 4.250 4.340 -0.000 0.000 0.201 97 Q C 2.086 178.094 176.000 0.013 0.000 0.972 97 Q CA 1.548 57.359 55.803 0.015 0.000 0.847 97 Q CB -0.324 28.421 28.738 0.012 0.000 0.903 97 Q HN 0.571 nan 8.270 nan 0.000 0.433 98 A N 0.877 123.705 122.820 0.013 0.000 1.872 98 A HA -0.107 4.213 4.320 -0.000 0.000 0.214 98 A C 2.000 179.591 177.584 0.012 0.000 1.187 98 A CA 1.183 53.227 52.037 0.011 0.000 0.614 98 A CB -0.607 18.399 19.000 0.011 0.000 0.826 98 A HN 0.457 nan 8.150 nan 0.000 0.442 99 I N -0.139 120.439 120.570 0.014 0.000 2.163 99 I HA -0.300 3.870 4.170 -0.000 0.000 0.243 99 I C 2.306 178.431 176.117 0.013 0.000 1.085 99 I CA 1.570 62.878 61.300 0.013 0.000 1.347 99 I CB -0.432 37.577 38.000 0.015 0.000 1.044 99 I HN 0.289 nan 8.210 nan 0.000 0.408 100 I N 0.177 120.756 120.570 0.015 0.000 2.208 100 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 100 I C 2.576 178.700 176.117 0.012 0.000 1.097 100 I CA 1.589 62.897 61.300 0.015 0.000 1.363 100 I CB -0.601 37.409 38.000 0.016 0.000 1.051 100 I HN 0.259 nan 8.210 nan 0.000 0.413 101 T N 0.155 114.716 114.554 0.011 0.000 2.643 101 T HA -0.138 4.212 4.350 -0.000 0.000 0.264 101 T C 1.815 176.520 174.700 0.008 0.000 1.045 101 T CA 1.262 63.367 62.100 0.009 0.000 1.155 101 T CB -0.143 68.730 68.868 0.008 0.000 0.863 101 T HN 0.301 nan 8.240 nan 0.000 0.420 102 E N 0.649 120.854 120.200 0.008 0.000 2.152 102 E HA 0.010 4.360 4.350 -0.000 0.000 0.192 102 E C 2.497 179.101 176.600 0.007 0.000 0.983 102 E CA 0.847 57.251 56.400 0.007 0.000 0.818 102 E CB -0.646 29.058 29.700 0.007 0.000 0.758 102 E HN 0.562 nan 8.360 nan 0.000 0.467 103 G N 1.419 110.224 108.800 0.009 0.000 2.402 103 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 103 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 103 G C 1.722 176.627 174.900 0.009 0.000 1.162 103 G CA 0.273 45.379 45.100 0.009 0.000 0.777 103 G HN 0.155 nan 8.290 nan 0.000 0.539 104 L N -0.238 120.990 121.223 0.009 0.000 2.141 104 L HA 0.020 4.360 4.340 -0.000 0.000 0.209 104 L C 2.855 179.730 176.870 0.007 0.000 1.094 104 L CA 0.879 55.724 54.840 0.009 0.000 0.763 104 L CB -0.229 41.836 42.059 0.009 0.000 0.908 104 L HN 0.167 nan 8.230 nan 0.000 0.437 105 K N 0.041 120.445 120.400 0.006 0.000 2.148 105 K HA -0.109 4.211 4.320 -0.000 0.000 0.204 105 K C 2.209 178.812 176.600 0.005 0.000 1.050 105 K CA 1.160 57.450 56.287 0.005 0.000 0.942 105 K CB -0.078 32.425 32.500 0.004 0.000 0.724 105 K HN 0.281 nan 8.250 nan 0.000 0.446 106 A N 0.608 123.431 122.820 0.006 0.000 1.930 106 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 106 A C 2.222 179.810 177.584 0.006 0.000 1.175 106 A CA 1.114 53.154 52.037 0.005 0.000 0.627 106 A CB -0.444 18.559 19.000 0.006 0.000 0.815 106 A HN 0.069 nan 8.150 nan 0.000 0.443 107 V N -0.035 119.883 119.914 0.007 0.000 2.343 107 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 107 V C 3.030 179.128 176.094 0.007 0.000 1.051 107 V CA 1.961 64.266 62.300 0.008 0.000 1.036 107 V CB -1.171 30.658 31.823 0.010 0.000 0.654 107 V HN 0.599 nan 8.190 nan 0.000 0.451 108 A N -0.163 122.661 122.820 0.006 0.000 2.015 108 A HA -0.008 4.312 4.320 -0.000 0.000 0.219 108 A C 2.266 179.852 177.584 0.003 0.000 1.163 108 A CA 1.687 53.727 52.037 0.004 0.000 0.646 108 A CB -0.550 18.451 19.000 0.003 0.000 0.806 108 A HN 0.585 nan 8.150 nan 0.000 0.448 109 A N -1.920 120.902 122.820 0.003 0.000 2.206 109 A HA 0.397 4.717 4.320 -0.000 0.000 0.211 109 A C 1.703 179.289 177.584 0.002 0.000 1.158 109 A CA 1.326 53.365 52.037 0.002 0.000 0.761 109 A CB -0.701 18.300 19.000 0.002 0.000 0.801 109 A HN 1.815 nan 8.150 nan 0.000 0.473 110 G N -2.052 106.750 108.800 0.004 0.000 2.154 110 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.186 110 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.186 110 G C 0.104 175.006 174.900 0.004 0.000 1.000 110 G CA 0.055 45.157 45.100 0.003 0.000 0.664 110 G HN 0.323 nan 8.290 nan 0.000 0.513 111 M N 0.744 120.347 119.600 0.005 0.000 2.255 111 M HA 0.278 4.758 4.480 -0.000 0.000 0.336 111 M C 0.630 176.934 176.300 0.006 0.000 1.135 111 M CA -0.594 54.709 55.300 0.005 0.000 1.145 111 M CB 0.578 33.180 32.600 0.005 0.000 1.473 111 M HN 0.160 nan 8.290 nan 0.000 0.462 112 N N 2.591 121.295 118.700 0.006 0.000 2.420 112 N HA 0.107 4.847 4.740 -0.000 0.000 0.262 112 N C -2.137 173.378 175.510 0.009 0.000 1.144 112 N CA -1.345 51.710 53.050 0.008 0.000 0.952 112 N CB 1.174 39.665 38.487 0.006 0.000 1.081 112 N HN 0.274 nan 8.380 nan 0.000 0.480 113 P HA -0.135 nan 4.420 nan 0.000 0.215 113 P C 1.670 178.977 177.300 0.010 0.000 1.153 113 P CA 1.483 64.590 63.100 0.012 0.000 0.853 113 P CB 0.189 31.898 31.700 0.015 0.000 0.788 114 M N -1.005 118.601 119.600 0.010 0.000 2.175 114 M HA -0.121 4.359 4.480 -0.000 0.000 0.264 114 M C 1.431 177.735 176.300 0.007 0.000 1.063 114 M CA 1.616 56.921 55.300 0.009 0.000 1.119 114 M CB -1.598 31.007 32.600 0.009 0.000 1.377 114 M HN -0.007 nan 8.290 nan 0.000 0.415 115 D N 0.865 121.269 120.400 0.006 0.000 2.144 115 D HA -0.037 4.603 4.640 -0.000 0.000 0.200 115 D C 2.325 178.628 176.300 0.005 0.000 0.978 115 D CA 0.948 54.950 54.000 0.005 0.000 0.833 115 D CB -0.166 40.636 40.800 0.004 0.000 0.961 115 D HN 0.332 nan 8.370 nan 0.000 0.470 116 L N 0.809 122.036 121.223 0.006 0.000 2.012 116 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 116 L C 2.557 179.430 176.870 0.005 0.000 1.073 116 L CA 1.337 56.180 54.840 0.006 0.000 0.748 116 L CB -0.376 41.687 42.059 0.007 0.000 0.891 116 L HN -0.007 nan 8.230 nan 0.000 0.431 117 K N 0.404 120.808 120.400 0.006 0.000 2.057 117 K HA -0.235 4.085 4.320 -0.000 0.000 0.206 117 K C 2.328 178.929 176.600 0.003 0.000 1.050 117 K CA 1.362 57.653 56.287 0.005 0.000 0.935 117 K CB -0.071 32.434 32.500 0.007 0.000 0.715 117 K HN 0.047 nan 8.250 nan 0.000 0.439 118 R N -0.054 120.448 120.500 0.003 0.000 2.091 118 R HA -0.120 4.220 4.340 -0.000 0.000 0.238 118 R C 2.305 178.605 176.300 -0.000 0.000 1.136 118 R CA 1.952 58.052 56.100 0.001 0.000 0.959 118 R CB -0.672 29.629 30.300 0.001 0.000 0.856 118 R HN 0.435 nan 8.270 nan 0.000 0.437 119 G N 0.595 109.395 108.800 0.001 0.000 2.421 119 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 119 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 119 G C 1.446 176.346 174.900 0.000 0.000 1.171 119 G CA 0.945 46.046 45.100 0.001 0.000 0.775 119 G HN 0.282 nan 8.290 nan 0.000 0.543 120 I N 1.103 121.674 120.570 0.001 0.000 2.163 120 I HA -0.167 4.003 4.170 -0.000 0.000 0.243 120 I C 2.281 178.396 176.117 -0.004 0.000 1.085 120 I CA 1.353 62.653 61.300 0.000 0.000 1.347 120 I CB -0.168 37.833 38.000 0.002 0.000 1.044 120 I HN 0.047 nan 8.210 nan 0.000 0.408 121 D N 0.599 120.996 120.400 -0.005 0.000 2.178 121 D HA -0.209 4.431 4.640 -0.000 0.000 0.201 121 D C 2.068 178.361 176.300 -0.011 0.000 0.980 121 D CA 1.124 55.118 54.000 -0.010 0.000 0.842 121 D CB -0.192 40.602 40.800 -0.010 0.000 0.948 121 D HN 0.344 nan 8.370 nan 0.000 0.472 122 K N 0.702 121.098 120.400 -0.007 0.000 2.062 122 K HA -0.025 4.295 4.320 -0.000 0.000 0.205 122 K C 2.050 178.647 176.600 -0.006 0.000 1.051 122 K CA 1.017 57.300 56.287 -0.006 0.000 0.941 122 K CB 0.007 32.505 32.500 -0.004 0.000 0.719 122 K HN -0.017 nan 8.250 nan 0.000 0.440 123 A N 0.942 123.759 122.820 -0.005 0.000 1.917 123 A HA -0.142 4.177 4.320 -0.000 0.000 0.219 123 A C 2.240 179.821 177.584 -0.006 0.000 1.182 123 A CA 1.869 53.904 52.037 -0.004 0.000 0.633 123 A CB -0.749 18.250 19.000 -0.001 0.000 0.819 123 A HN 0.195 nan 8.150 nan 0.000 0.448 124 V N -0.638 119.270 119.914 -0.010 0.000 2.379 124 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 124 V C 2.725 178.807 176.094 -0.020 0.000 1.044 124 V CA 2.353 64.643 62.300 -0.016 0.000 1.036 124 V CB -1.113 30.696 31.823 -0.024 0.000 0.664 124 V HN 0.612 nan 8.190 nan 0.000 0.453 125 T N 0.168 114.711 114.554 -0.020 0.000 2.699 125 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 125 T C 1.876 176.568 174.700 -0.014 0.000 1.036 125 T CA 1.843 63.932 62.100 -0.019 0.000 1.147 125 T CB -0.207 68.651 68.868 -0.017 0.000 0.862 125 T HN 0.311 nan 8.240 nan 0.000 0.446 126 V N 1.315 121.223 119.914 -0.009 0.000 2.591 126 V HA -0.025 4.095 4.120 -0.000 0.000 0.249 126 V C 2.796 178.887 176.094 -0.005 0.000 1.053 126 V CA 1.274 63.571 62.300 -0.006 0.000 1.068 126 V CB -1.083 30.738 31.823 -0.003 0.000 0.689 126 V HN 0.497 nan 8.190 nan 0.000 0.462 127 A N -0.071 122.746 122.820 -0.005 0.000 1.933 127 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 127 A C 2.373 179.954 177.584 -0.004 0.000 1.175 127 A CA 1.996 54.031 52.037 -0.003 0.000 0.628 127 A CB -0.560 18.439 19.000 -0.002 0.000 0.814 127 A HN 0.334 nan 8.150 nan 0.000 0.444 128 V N 0.115 120.023 119.914 -0.010 0.000 2.453 128 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 128 V C 2.321 178.410 176.094 -0.008 0.000 1.048 128 V CA 2.062 64.355 62.300 -0.013 0.000 1.049 128 V CB -0.762 31.047 31.823 -0.024 0.000 0.672 128 V HN 0.663 nan 8.190 nan 0.000 0.457 129 E N 0.098 120.294 120.200 -0.007 0.000 2.085 129 E HA -0.293 4.057 4.350 -0.000 0.000 0.194 129 E C 2.176 178.776 176.600 -0.001 0.000 0.994 129 E CA 1.521 57.918 56.400 -0.004 0.000 0.801 129 E CB -0.112 29.586 29.700 -0.004 0.000 0.743 129 E HN 0.533 nan 8.360 nan 0.000 0.453 130 E N 0.749 120.950 120.200 0.001 0.000 2.152 130 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 130 E C 1.767 178.370 176.600 0.006 0.000 0.983 130 E CA 0.387 56.790 56.400 0.004 0.000 0.818 130 E CB -0.055 29.648 29.700 0.005 0.000 0.758 130 E HN 0.088 nan 8.360 nan 0.000 0.467 131 L N 0.848 122.074 121.223 0.005 0.000 2.141 131 L HA -0.054 4.286 4.340 -0.000 0.000 0.209 131 L C 1.800 178.674 176.870 0.006 0.000 1.094 131 L CA 1.721 56.566 54.840 0.007 0.000 0.763 131 L CB -0.350 41.712 42.059 0.005 0.000 0.908 131 L HN 0.051 nan 8.230 nan 0.000 0.437 132 K N -1.177 119.225 120.400 0.003 0.000 2.148 132 K HA -0.052 4.268 4.320 -0.000 0.000 0.204 132 K C 2.035 178.638 176.600 0.005 0.000 1.050 132 K CA 1.108 57.397 56.287 0.003 0.000 0.942 132 K CB -0.210 32.291 32.500 0.001 0.000 0.724 132 K HN 0.360 nan 8.250 nan 0.000 0.446 133 A N 1.238 124.061 122.820 0.006 0.000 1.969 133 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 133 A C 2.004 179.594 177.584 0.009 0.000 1.169 133 A CA 1.071 53.112 52.037 0.007 0.000 0.635 133 A CB -0.427 18.577 19.000 0.007 0.000 0.810 133 A HN 0.148 nan 8.150 nan 0.000 0.445 134 L N -0.520 120.710 121.223 0.011 0.000 2.313 134 L HA 0.010 4.350 4.340 -0.000 0.000 0.214 134 L C 1.306 178.185 176.870 0.014 0.000 1.119 134 L CA 0.035 54.883 54.840 0.014 0.000 0.809 134 L CB -0.342 41.727 42.059 0.017 0.000 0.933 134 L HN 0.272 nan 8.230 nan 0.000 0.449 135 S N 0.019 115.726 115.700 0.012 0.000 2.552 135 S HA 0.102 4.572 4.470 -0.000 0.000 0.289 135 S C -0.075 174.532 174.600 0.010 0.000 1.304 135 S CA -0.389 57.818 58.200 0.011 0.000 1.063 135 S CB 0.641 63.846 63.200 0.008 0.000 0.848 135 S HN -0.055 nan 8.310 nan 0.000 0.499 136 V N 8.421 128.342 119.914 0.011 0.000 2.407 136 V HA 0.358 4.478 4.120 -0.000 0.000 0.278 136 V C -1.976 174.122 176.094 0.007 0.000 1.037 136 V CA -1.835 60.471 62.300 0.010 0.000 0.900 136 V CB 1.292 33.122 31.823 0.011 0.000 0.983 136 V HN 0.735 nan 8.190 nan 0.000 0.459 137 P HA 0.156 nan 4.420 nan 0.000 0.272 137 P C -0.654 176.648 177.300 0.004 0.000 1.230 137 P CA -0.312 62.791 63.100 0.004 0.000 0.788 137 P CB 0.497 32.199 31.700 0.004 0.000 0.949 138 C N 2.013 121.314 119.300 0.002 0.000 3.002 138 C HA 0.471 4.931 4.460 -0.000 0.000 0.248 138 C C 0.963 175.953 174.990 -0.000 0.000 1.153 138 C CA 0.109 59.128 59.018 0.001 0.000 1.502 138 C CB -1.373 26.367 27.740 0.000 0.000 1.805 138 C HN 0.546 nan 8.230 nan 0.000 0.450 139 S N 1.732 117.433 115.700 0.000 0.000 2.619 139 S HA 0.161 4.630 4.470 -0.000 0.000 0.238 139 S C 0.082 174.682 174.600 -0.000 0.000 1.068 139 S CA 0.015 58.215 58.200 -0.000 0.000 0.926 139 S CB 0.217 63.417 63.200 0.001 0.000 0.864 139 S HN 0.939 nan 8.310 nan 0.000 0.493 140 D N 0.707 121.107 120.400 0.001 0.000 2.385 140 D HA 0.427 5.067 4.640 -0.000 0.000 0.254 140 D C 0.967 177.267 176.300 0.001 0.000 1.053 140 D CA -0.337 53.663 54.000 0.001 0.000 0.992 140 D CB 0.752 41.553 40.800 0.001 0.000 1.145 140 D HN 0.003 nan 8.370 nan 0.000 0.523 141 S N -0.354 115.346 115.700 0.001 0.000 2.474 141 S HA -0.212 4.258 4.470 -0.000 0.000 0.235 141 S C 1.560 176.160 174.600 0.001 0.000 0.997 141 S CA 0.743 58.943 58.200 0.001 0.000 0.949 141 S CB -0.414 62.787 63.200 0.001 0.000 0.766 141 S HN 0.523 nan 8.310 nan 0.000 0.517 142 K N 1.458 121.859 120.400 0.002 0.000 2.026 142 K HA -0.001 4.319 4.320 -0.000 0.000 0.208 142 K C 2.387 178.989 176.600 0.003 0.000 1.048 142 K CA 1.189 57.477 56.287 0.002 0.000 0.929 142 K CB -0.693 31.808 32.500 0.002 0.000 0.713 142 K HN 0.447 nan 8.250 nan 0.000 0.439 143 A N 1.433 124.255 122.820 0.003 0.000 1.908 143 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 143 A C 2.103 179.688 177.584 0.003 0.000 1.181 143 A CA 1.582 53.621 52.037 0.003 0.000 0.627 143 A CB -0.608 18.394 19.000 0.003 0.000 0.818 143 A HN 0.359 nan 8.150 nan 0.000 0.445 144 I N -0.374 120.197 120.570 0.002 0.000 2.226 144 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 144 I C 2.964 179.082 176.117 0.002 0.000 1.100 144 I CA 1.096 62.396 61.300 0.001 0.000 1.374 144 I CB -0.305 37.695 38.000 -0.000 0.000 1.057 144 I HN 0.363 nan 8.210 nan 0.000 0.413 145 A N -0.015 122.807 122.820 0.002 0.000 1.898 145 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 145 A C 2.253 179.839 177.584 0.003 0.000 1.181 145 A CA 1.462 53.500 52.037 0.003 0.000 0.620 145 A CB -0.596 18.405 19.000 0.002 0.000 0.819 145 A HN 0.443 nan 8.150 nan 0.000 0.442 146 Q N -0.564 119.238 119.800 0.003 0.000 2.061 146 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 146 Q C 2.169 178.171 176.000 0.004 0.000 0.984 146 Q CA 1.932 57.737 55.803 0.003 0.000 0.846 146 Q CB -0.358 28.382 28.738 0.004 0.000 0.902 146 Q HN 0.495 nan 8.270 nan 0.000 0.421 147 V N 0.087 120.004 119.914 0.005 0.000 2.358 147 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 147 V C 2.215 178.314 176.094 0.008 0.000 1.047 147 V CA 1.879 64.183 62.300 0.007 0.000 1.035 147 V CB -1.148 30.678 31.823 0.007 0.000 0.658 147 V HN 0.557 nan 8.190 nan 0.000 0.452 148 G N -0.488 108.317 108.800 0.008 0.000 2.469 148 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 148 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 148 G C 1.707 176.612 174.900 0.008 0.000 1.150 148 G CA 1.714 46.820 45.100 0.010 0.000 0.763 148 G HN 0.463 nan 8.290 nan 0.000 0.561 149 T N 1.085 115.642 114.554 0.005 0.000 2.737 149 T HA -0.011 4.339 4.350 -0.000 0.000 0.265 149 T C 2.417 177.119 174.700 0.003 0.000 1.038 149 T CA 0.923 63.025 62.100 0.003 0.000 1.144 149 T CB -0.158 68.711 68.868 0.002 0.000 0.866 149 T HN 0.244 nan 8.240 nan 0.000 0.434 150 I N 1.408 121.979 120.570 0.003 0.000 2.286 150 I HA -0.149 4.021 4.170 -0.000 0.000 0.248 150 I C 2.250 178.369 176.117 0.004 0.000 1.115 150 I CA 1.031 62.332 61.300 0.001 0.000 1.392 150 I CB -0.208 37.793 38.000 0.002 0.000 1.065 150 I HN 0.179 nan 8.210 nan 0.000 0.418 151 S N 0.429 116.134 115.700 0.008 0.000 2.562 151 S HA 0.194 4.664 4.470 -0.000 0.000 0.221 151 S C 1.440 176.045 174.600 0.010 0.000 0.975 151 S CA 0.539 58.747 58.200 0.012 0.000 0.918 151 S CB 0.138 63.352 63.200 0.023 0.000 0.772 151 S HN 0.442 nan 8.310 nan 0.000 0.531 152 A N 1.741 124.565 122.820 0.007 0.000 2.708 152 A HA 0.487 4.807 4.320 -0.000 0.000 0.293 152 A C 0.634 178.218 177.584 0.000 0.000 1.303 152 A CA -0.514 51.526 52.037 0.004 0.000 0.949 152 A CB -0.638 18.365 19.000 0.005 0.000 1.121 152 A HN 0.304 nan 8.150 nan 0.000 0.542 153 N N -0.200 118.499 118.700 -0.002 0.000 2.735 153 N HA -0.227 4.513 4.740 -0.000 0.000 0.248 153 N C 0.255 175.761 175.510 -0.006 0.000 1.083 153 N CA 1.213 54.260 53.050 -0.005 0.000 0.703 153 N CB -1.780 36.703 38.487 -0.006 0.000 1.005 153 N HN 0.602 nan 8.380 nan 0.000 0.550 154 S N -2.034 113.664 115.700 -0.004 0.000 3.315 154 S HA -0.219 4.251 4.470 -0.000 0.000 0.283 154 S C -0.382 174.216 174.600 -0.003 0.000 1.279 154 S CA 0.698 58.896 58.200 -0.004 0.000 0.984 154 S CB -1.163 62.033 63.200 -0.007 0.000 1.184 154 S HN 0.717 nan 8.310 nan 0.000 0.653 155 D N 1.596 121.995 120.400 -0.002 0.000 2.422 155 D HA 0.273 4.913 4.640 -0.000 0.000 0.227 155 D C 1.114 177.414 176.300 0.000 0.000 1.190 155 D CA -0.121 53.878 54.000 -0.001 0.000 0.905 155 D CB 0.426 41.225 40.800 -0.001 0.000 1.034 155 D HN 0.463 nan 8.370 nan 0.000 0.507 156 E N 1.180 121.380 120.200 -0.000 0.000 2.160 156 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 156 E C 1.461 178.061 176.600 0.001 0.000 0.991 156 E CA 1.099 57.499 56.400 0.001 0.000 0.810 156 E CB 0.244 29.944 29.700 0.000 0.000 0.742 156 E HN 0.483 nan 8.360 nan 0.000 0.466 157 T N 0.763 115.317 114.554 0.001 0.000 2.665 157 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 157 T C 2.033 176.734 174.700 0.002 0.000 1.035 157 T CA 1.335 63.435 62.100 0.001 0.000 1.151 157 T CB -0.201 68.668 68.868 0.001 0.000 0.862 157 T HN 0.014 nan 8.240 nan 0.000 0.438 158 V N 0.993 120.908 119.914 0.002 0.000 2.548 158 V HA -0.013 4.106 4.120 -0.000 0.000 0.249 158 V C 2.787 178.884 176.094 0.005 0.000 1.055 158 V CA 1.727 64.029 62.300 0.004 0.000 1.065 158 V CB -1.203 30.623 31.823 0.005 0.000 0.681 158 V HN 0.589 nan 8.190 nan 0.000 0.462 159 G N -0.395 108.408 108.800 0.004 0.000 2.404 159 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.215 159 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.215 159 G C 1.622 176.524 174.900 0.003 0.000 1.174 159 G CA 0.893 45.995 45.100 0.004 0.000 0.780 159 G HN 0.445 nan 8.290 nan 0.000 0.537 160 K N 0.006 120.407 120.400 0.002 0.000 2.074 160 K HA -0.031 4.289 4.320 -0.000 0.000 0.209 160 K C 2.498 179.100 176.600 0.002 0.000 1.048 160 K CA 1.005 57.293 56.287 0.002 0.000 0.926 160 K CB -0.285 32.216 32.500 0.001 0.000 0.713 160 K HN 0.335 nan 8.250 nan 0.000 0.444 161 L N 0.644 121.869 121.223 0.003 0.000 2.017 161 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 161 L C 2.429 179.301 176.870 0.003 0.000 1.073 161 L CA 1.278 56.120 54.840 0.003 0.000 0.745 161 L CB -0.264 41.797 42.059 0.003 0.000 0.894 161 L HN 0.243 nan 8.230 nan 0.000 0.432 162 I N -0.605 119.967 120.570 0.004 0.000 2.315 162 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 162 I C 2.702 178.821 176.117 0.002 0.000 1.117 162 I CA 1.048 62.351 61.300 0.004 0.000 1.404 162 I CB -0.379 37.625 38.000 0.006 0.000 1.071 162 I HN 0.190 nan 8.210 nan 0.000 0.419 163 A N 0.417 123.238 122.820 0.002 0.000 1.933 163 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 163 A C 2.211 179.795 177.584 0.001 0.000 1.175 163 A CA 1.589 53.627 52.037 0.001 0.000 0.628 163 A CB -0.518 18.483 19.000 0.001 0.000 0.814 163 A HN 0.437 nan 8.150 nan 0.000 0.444 164 E N -0.192 120.009 120.200 0.001 0.000 2.077 164 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 164 E C 2.347 178.947 176.600 0.001 0.000 0.989 164 E CA 0.949 57.349 56.400 0.001 0.000 0.800 164 E CB -0.300 29.400 29.700 0.001 0.000 0.746 164 E HN 0.616 nan 8.360 nan 0.000 0.452 165 A N 1.234 124.054 122.820 0.001 0.000 1.902 165 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 165 A C 2.172 179.756 177.584 -0.000 0.000 1.181 165 A CA 1.398 53.436 52.037 0.001 0.000 0.623 165 A CB -0.457 18.544 19.000 0.001 0.000 0.818 165 A HN 0.139 nan 8.150 nan 0.000 0.443 166 M N -1.110 118.490 119.600 -0.001 0.000 2.296 166 M HA -0.144 4.336 4.480 -0.000 0.000 0.265 166 M C 1.727 178.026 176.300 -0.001 0.000 1.064 166 M CA 1.786 57.085 55.300 -0.002 0.000 1.109 166 M CB -0.431 32.167 32.600 -0.003 0.000 1.396 166 M HN 0.475 nan 8.290 nan 0.000 0.430 167 D N 0.374 120.774 120.400 -0.001 0.000 2.224 167 D HA -0.112 4.528 4.640 -0.000 0.000 0.205 167 D C 2.011 178.311 176.300 -0.000 0.000 0.965 167 D CA 1.001 55.001 54.000 -0.000 0.000 0.852 167 D CB 0.325 41.125 40.800 -0.000 0.000 0.947 167 D HN 0.055 nan 8.370 nan 0.000 0.494 168 K N -0.295 120.105 120.400 -0.000 0.000 2.098 168 K HA 0.016 4.336 4.320 -0.000 0.000 0.203 168 K C 1.824 178.424 176.600 0.000 0.000 1.051 168 K CA 0.991 57.278 56.287 0.000 0.000 0.957 168 K CB 0.117 32.617 32.500 0.000 0.000 0.738 168 K HN 0.255 nan 8.250 nan 0.000 0.447 169 V N -2.847 117.067 119.914 0.000 0.000 3.528 169 V HA 0.403 4.523 4.120 -0.000 0.000 0.294 169 V C 0.535 176.629 176.094 -0.000 0.000 1.404 169 V CA 0.103 62.404 62.300 0.000 0.000 1.065 169 V CB -0.269 31.554 31.823 0.001 0.000 0.904 169 V HN 0.333 nan 8.190 nan 0.000 0.435 170 G N 2.245 111.045 108.800 -0.001 0.000 2.730 170 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.686 170 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.686 170 G C 0.231 175.129 174.900 -0.003 0.000 1.343 170 G CA -0.037 45.061 45.100 -0.002 0.000 0.826 170 G HN 0.745 nan 8.290 nan 0.000 0.582 171 K N -0.390 120.007 120.400 -0.004 0.000 2.365 171 K HA 0.071 4.391 4.320 -0.000 0.000 0.199 171 K C 0.978 177.572 176.600 -0.010 0.000 1.045 171 K CA 1.574 57.857 56.287 -0.007 0.000 0.962 171 K CB 0.299 32.795 32.500 -0.007 0.000 0.759 171 K HN 0.425 nan 8.250 nan 0.000 0.469 172 E N 1.443 121.639 120.200 -0.008 0.000 2.476 172 E HA 0.100 4.450 4.350 -0.000 0.000 0.196 172 E C 0.640 177.237 176.600 -0.006 0.000 1.029 172 E CA 0.029 56.424 56.400 -0.008 0.000 0.896 172 E CB 0.857 30.554 29.700 -0.005 0.000 1.012 172 E HN 0.419 nan 8.360 nan 0.000 0.475 173 G N 0.757 109.554 108.800 -0.004 0.000 2.562 173 G HA2 0.304 4.264 3.960 -0.000 0.000 0.275 173 G HA3 0.304 4.264 3.960 -0.000 0.000 0.275 173 G C 0.095 174.994 174.900 -0.002 0.000 1.196 173 G CA -0.497 44.602 45.100 -0.001 0.000 0.908 173 G HN -0.049 nan 8.290 nan 0.000 0.524 174 V N 0.784 120.699 119.914 0.001 0.000 2.488 174 V HA 0.327 4.447 4.120 -0.000 0.000 0.277 174 V C 0.217 176.311 176.094 -0.001 0.000 1.046 174 V CA 0.160 62.459 62.300 -0.001 0.000 0.986 174 V CB 0.506 32.331 31.823 0.003 0.000 0.989 174 V HN 0.432 nan 8.190 nan 0.000 0.475 175 I N 4.167 124.736 120.570 -0.002 0.000 2.499 175 I HA 0.478 4.647 4.170 -0.000 0.000 0.288 175 I C -0.091 176.028 176.117 0.003 0.000 1.048 175 I CA -0.195 61.105 61.300 0.001 0.000 1.062 175 I CB 2.341 40.341 38.000 0.000 0.000 1.238 175 I HN 0.561 nan 8.210 nan 0.000 0.426 176 T N 4.705 119.261 114.554 0.003 0.000 2.932 176 T HA 0.628 4.978 4.350 -0.000 0.000 0.289 176 T C -0.398 174.305 174.700 0.005 0.000 1.039 176 T CA -0.723 61.379 62.100 0.005 0.000 1.024 176 T CB 2.477 71.346 68.868 0.001 0.000 1.090 176 T HN 0.434 nan 8.240 nan 0.000 0.496 177 V N -0.582 119.336 119.914 0.007 0.000 2.555 177 V HA 0.818 4.938 4.120 -0.000 0.000 0.302 177 V C -0.870 175.225 176.094 0.003 0.000 1.038 177 V CA -0.721 61.582 62.300 0.006 0.000 0.887 177 V CB 1.616 33.444 31.823 0.008 0.000 0.991 177 V HN 0.939 nan 8.190 nan 0.000 0.434 178 E N 1.834 122.034 120.200 0.001 0.000 2.392 178 E HA 0.406 4.756 4.350 -0.000 0.000 0.269 178 E C -1.538 175.061 176.600 -0.001 0.000 0.924 178 E CA -1.072 55.328 56.400 -0.001 0.000 0.784 178 E CB 1.692 31.390 29.700 -0.003 0.000 1.292 178 E HN 0.797 nan 8.360 nan 0.000 0.447 179 D N 1.189 121.588 120.400 -0.003 0.000 2.525 179 D HA 0.099 4.739 4.640 -0.000 0.000 0.235 179 D C 0.255 176.553 176.300 -0.003 0.000 1.137 179 D CA 0.519 54.517 54.000 -0.003 0.000 0.868 179 D CB 0.625 41.423 40.800 -0.004 0.000 1.180 179 D HN 0.498 nan 8.370 nan 0.000 0.465 180 G N 0.184 108.982 108.800 -0.003 0.000 2.634 180 G HA2 0.284 4.244 3.960 -0.000 0.000 0.255 180 G HA3 0.284 4.244 3.960 -0.000 0.000 0.255 180 G C 1.029 175.927 174.900 -0.003 0.000 1.205 180 G CA -0.067 45.031 45.100 -0.003 0.000 0.884 180 G HN 0.480 nan 8.290 nan 0.000 0.549 181 T N -2.727 111.825 114.554 -0.003 0.000 3.037 181 T HA 0.474 4.824 4.350 -0.000 0.000 0.251 181 T C 1.112 175.810 174.700 -0.003 0.000 1.079 181 T CA 0.911 63.009 62.100 -0.004 0.000 1.067 181 T CB 0.356 69.222 68.868 -0.004 0.000 0.948 181 T HN 1.097 nan 8.240 nan 0.000 0.496 182 G N 0.390 109.188 108.800 -0.003 0.000 2.791 182 G HA2 0.446 4.406 3.960 -0.000 0.000 0.158 182 G HA3 0.446 4.406 3.960 -0.000 0.000 0.158 182 G C -0.177 174.722 174.900 -0.002 0.000 1.193 182 G CA 0.036 45.134 45.100 -0.002 0.000 1.032 182 G HN 0.097 nan 8.290 nan 0.000 0.557 183 L N 0.080 121.302 121.223 -0.002 0.000 2.253 183 L HA 0.398 4.738 4.340 -0.000 0.000 0.205 183 L C 0.791 177.660 176.870 -0.001 0.000 1.078 183 L CA 1.070 55.909 54.840 -0.002 0.000 0.805 183 L CB -0.359 41.699 42.059 -0.002 0.000 0.963 183 L HN 0.507 nan 8.230 nan 0.000 0.459 184 Q N 0.669 120.468 119.800 -0.001 0.000 2.227 184 Q HA 0.159 4.499 4.340 -0.000 0.000 0.245 184 Q C -0.820 175.179 176.000 -0.001 0.000 0.926 184 Q CA -0.830 54.972 55.803 -0.001 0.000 0.895 184 Q CB 1.284 30.021 28.738 -0.001 0.000 1.230 184 Q HN 0.141 nan 8.270 nan 0.000 0.450 185 D N 1.973 122.373 120.400 -0.001 0.000 2.399 185 D HA 0.066 4.706 4.640 -0.000 0.000 0.241 185 D C -0.529 175.771 176.300 -0.001 0.000 1.133 185 D CA 0.524 54.524 54.000 -0.000 0.000 0.890 185 D CB 0.717 41.517 40.800 0.000 0.000 1.201 185 D HN 0.353 nan 8.370 nan 0.000 0.432 186 E N 0.138 120.337 120.200 -0.001 0.000 2.288 186 E HA 0.524 4.873 4.350 -0.000 0.000 0.268 186 E C -1.031 175.569 176.600 -0.000 0.000 0.885 186 E CA -0.966 55.434 56.400 -0.001 0.000 0.767 186 E CB 2.450 32.149 29.700 -0.001 0.000 1.220 186 E HN 0.076 nan 8.360 nan 0.000 0.427 187 L N 3.558 124.780 121.223 -0.000 0.000 2.372 187 L HA 0.415 4.755 4.340 -0.000 0.000 0.273 187 L C -1.701 175.169 176.870 -0.000 0.000 0.989 187 L CA -0.298 54.542 54.840 0.000 0.000 0.841 187 L CB 0.977 43.036 42.059 0.000 0.000 1.225 187 L HN 0.508 nan 8.230 nan 0.000 0.414 188 D N 3.873 124.273 120.400 -0.000 0.000 2.477 188 D HA 0.499 5.139 4.640 -0.000 0.000 0.234 188 D C -0.998 175.302 176.300 0.000 0.000 1.048 188 D CA -0.563 53.437 54.000 -0.000 0.000 0.959 188 D CB 2.241 43.040 40.800 -0.001 0.000 1.408 188 D HN 0.208 nan 8.370 nan 0.000 0.496 189 V N 0.607 120.522 119.914 0.000 0.000 2.384 189 V HA 0.442 4.562 4.120 -0.000 0.000 0.287 189 V C 0.524 176.619 176.094 0.001 0.000 1.020 189 V CA -0.738 61.562 62.300 0.001 0.000 0.850 189 V CB 1.055 32.879 31.823 0.002 0.000 0.987 189 V HN 0.600 nan 8.190 nan 0.000 0.436 190 V N 1.607 121.522 119.914 0.002 0.000 3.103 190 V HA 0.710 4.830 4.120 -0.000 0.000 0.318 190 V C -0.088 176.009 176.094 0.005 0.000 1.114 190 V CA -0.959 61.343 62.300 0.002 0.000 1.020 190 V CB 2.006 33.830 31.823 0.001 0.000 1.085 190 V HN 0.675 nan 8.190 nan 0.000 0.446 191 E N 1.171 121.374 120.200 0.006 0.000 2.360 191 E HA 0.611 4.961 4.350 -0.000 0.000 0.269 191 E C 0.292 176.901 176.600 0.014 0.000 1.022 191 E CA 1.034 57.440 56.400 0.010 0.000 0.887 191 E CB 0.958 30.664 29.700 0.009 0.000 0.990 191 E HN 1.325 nan 8.360 nan 0.000 0.426 192 G N 0.986 109.799 108.800 0.021 0.000 2.320 192 G HA2 0.382 4.342 3.960 -0.000 0.000 0.297 192 G HA3 0.382 4.342 3.960 -0.000 0.000 0.297 192 G C -1.354 173.571 174.900 0.041 0.000 1.344 192 G CA -0.797 44.322 45.100 0.031 0.000 0.851 192 G HN 0.385 nan 8.290 nan 0.000 0.567 193 M N 0.001 119.637 119.600 0.060 0.000 2.534 193 M HA 0.538 5.018 4.480 -0.000 0.000 0.280 193 M C -1.701 174.655 176.300 0.094 0.000 1.217 193 M CA -0.653 54.699 55.300 0.087 0.000 0.893 193 M CB 2.613 35.288 32.600 0.125 0.000 1.730 193 M HN 0.747 nan 8.290 nan 0.000 0.483 194 Q N 3.286 123.138 119.800 0.087 0.000 2.340 194 Q HA 0.705 5.045 4.340 -0.000 0.000 0.268 194 Q C -2.054 174.023 176.000 0.128 0.000 1.031 194 Q CA -0.637 55.182 55.803 0.028 0.000 0.804 194 Q CB 1.878 30.605 28.738 -0.018 0.000 1.286 194 Q HN 0.567 nan 8.270 nan 0.000 0.448 195 F N -0.033 119.919 119.950 0.004 0.000 2.603 195 F HA 0.508 5.035 4.527 0.000 0.000 0.317 195 F C -0.502 175.300 175.800 0.004 0.000 1.066 195 F CA -1.163 56.840 58.000 0.005 0.000 0.941 195 F CB 1.223 40.228 39.000 0.009 0.000 1.291 195 F HN 0.336 nan 8.300 nan 0.000 0.472 196 D N 2.976 123.504 120.400 0.213 0.000 2.801 196 D HA 0.151 4.791 4.640 -0.000 0.000 0.232 196 D C -0.337 176.027 176.300 0.106 0.000 1.128 196 D CA 0.246 54.299 54.000 0.088 0.000 1.003 196 D CB -0.022 40.828 40.800 0.085 0.000 1.110 196 D HN 0.288 nan 8.370 nan 0.000 0.477 197 R N 0.177 120.705 120.500 0.047 0.000 2.538 197 R HA 0.470 4.810 4.340 -0.000 0.000 0.292 197 R C 0.332 176.575 176.300 -0.095 0.000 1.008 197 R CA -0.686 55.445 56.100 0.052 0.000 0.896 197 R CB 2.105 32.559 30.300 0.256 0.000 1.187 197 R HN 0.145 nan 8.270 nan 0.000 0.440 198 G N 1.190 109.916 108.800 -0.123 0.000 2.532 198 G HA2 0.386 4.346 3.960 -0.000 0.000 0.291 198 G HA3 0.386 4.346 3.960 -0.000 0.000 0.291 198 G C -0.517 174.303 174.900 -0.133 0.000 1.349 198 G CA -0.479 44.474 45.100 -0.245 0.000 1.038 198 G HN 0.455 nan 8.290 nan 0.000 0.518 199 Y N -1.566 118.777 120.300 0.073 0.000 2.426 199 Y HA 0.386 4.936 4.550 -0.000 0.000 0.344 199 Y C 1.196 177.203 175.900 0.179 0.000 1.256 199 Y CA -0.942 57.259 58.100 0.168 0.000 1.451 199 Y CB 0.456 39.061 38.460 0.241 0.000 1.342 199 Y HN 0.157 nan 8.280 nan 0.000 0.600 200 L N 1.291 122.826 121.223 0.521 0.000 2.529 200 L HA 0.150 4.490 4.340 -0.000 0.000 0.223 200 L C 0.429 177.461 176.870 0.270 0.000 1.113 200 L CA 0.596 55.648 54.840 0.353 0.000 0.861 200 L CB -0.075 42.179 42.059 0.325 0.000 1.012 200 L HN 0.825 nan 8.230 nan 0.000 0.461 201 S N -2.615 113.212 115.700 0.213 0.000 2.541 201 S HA 0.431 4.901 4.470 -0.000 0.000 0.271 201 S C -2.443 171.968 174.600 -0.314 0.000 1.133 201 S CA -1.155 56.985 58.200 -0.100 0.000 0.876 201 S CB 1.921 64.941 63.200 -0.302 0.000 1.105 201 S HN -0.270 nan 8.310 nan 0.000 0.470 202 P HA -0.019 nan 4.420 nan 0.000 0.222 202 P C 0.574 177.477 177.300 -0.661 0.000 1.147 202 P CA 0.918 63.586 63.100 -0.719 0.000 0.790 202 P CB -0.218 31.173 31.700 -0.516 0.000 0.780 203 Y N -2.022 118.015 120.300 -0.438 0.000 2.403 203 Y HA -0.121 4.429 4.550 -0.000 0.000 0.291 203 Y C 1.846 177.571 175.900 -0.291 0.000 1.143 203 Y CA 0.803 58.685 58.100 -0.363 0.000 1.257 203 Y CB -1.418 36.821 38.460 -0.368 0.000 0.984 203 Y HN -0.058 nan 8.280 nan 0.000 0.550 204 F N -0.241 119.672 119.950 -0.062 0.000 2.451 204 F HA -0.030 4.497 4.527 -0.000 0.000 0.299 204 F C 1.030 176.764 175.800 -0.110 0.000 1.101 204 F CA -0.423 57.540 58.000 -0.061 0.000 1.436 204 F CB -1.114 37.865 39.000 -0.035 0.000 1.074 204 F HN -0.140 nan 8.300 nan 0.000 0.553 205 I N 2.613 123.136 120.570 -0.079 0.000 2.752 205 I HA -0.172 3.998 4.170 -0.000 0.000 0.286 205 I C 0.931 177.043 176.117 -0.009 0.000 1.180 205 I CA 0.277 61.521 61.300 -0.093 0.000 1.404 205 I CB 0.121 37.999 38.000 -0.203 0.000 1.389 205 I HN 0.165 nan 8.210 nan 0.000 0.549 206 N N 5.513 124.225 118.700 0.019 0.000 2.205 206 N HA 0.023 4.763 4.740 -0.000 0.000 0.201 206 N C 0.008 175.525 175.510 0.011 0.000 1.128 206 N CA 0.042 53.106 53.050 0.023 0.000 0.867 206 N CB 0.378 38.885 38.487 0.032 0.000 0.996 206 N HN 0.416 nan 8.380 nan 0.000 0.503 207 K N 1.209 121.613 120.400 0.007 0.000 2.762 207 K HA 0.269 4.589 4.320 -0.000 0.000 0.180 207 K C -2.067 174.532 176.600 -0.001 0.000 1.067 207 K CA -1.694 54.595 56.287 0.005 0.000 0.973 207 K CB 1.881 34.387 32.500 0.010 0.000 1.290 207 K HN -0.006 nan 8.250 nan 0.000 0.604 208 P HA -0.167 nan 4.420 nan 0.000 0.226 208 P C 0.285 177.579 177.300 -0.010 0.000 1.146 208 P CA 1.138 64.229 63.100 -0.015 0.000 0.773 208 P CB 0.447 32.137 31.700 -0.016 0.000 0.772 209 E N -0.461 119.735 120.200 -0.007 0.000 2.072 209 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 209 E C 1.665 178.259 176.600 -0.011 0.000 0.985 209 E CA 1.521 57.916 56.400 -0.009 0.000 0.801 209 E CB -1.095 28.600 29.700 -0.008 0.000 0.750 209 E HN 0.222 nan 8.360 nan 0.000 0.452 210 T N -0.951 113.602 114.554 -0.003 0.000 3.060 210 T HA 0.228 4.578 4.350 -0.000 0.000 0.249 210 T C 1.103 175.814 174.700 0.019 0.000 1.079 210 T CA 0.389 62.490 62.100 0.002 0.000 1.013 210 T CB 0.402 69.276 68.868 0.010 0.000 0.975 210 T HN 0.364 nan 8.240 nan 0.000 0.518 211 G N 1.770 110.581 108.800 0.018 0.000 2.305 211 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.287 211 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.287 211 G C 0.091 175.050 174.900 0.099 0.000 1.036 211 G CA 0.145 45.269 45.100 0.039 0.000 0.887 211 G HN 0.899 nan 8.290 nan 0.000 0.505 212 A N -1.397 121.465 122.820 0.071 0.000 2.430 212 A HA 0.922 5.242 4.320 -0.000 0.000 0.300 212 A C -0.205 177.424 177.584 0.076 0.000 1.124 212 A CA -0.330 51.772 52.037 0.109 0.000 0.766 212 A CB 2.055 21.099 19.000 0.074 0.000 1.328 212 A HN 1.192 nan 8.150 nan 0.000 0.424 213 V N 1.004 120.984 119.914 0.110 0.000 2.398 213 V HA 0.511 4.630 4.120 -0.000 0.000 0.286 213 V C -0.069 176.054 176.094 0.050 0.000 1.026 213 V CA -0.342 62.007 62.300 0.081 0.000 0.868 213 V CB 1.157 33.053 31.823 0.123 0.000 0.982 213 V HN 0.907 nan 8.190 nan 0.000 0.443 214 E N 4.337 124.555 120.200 0.030 0.000 2.224 214 E HA 0.672 5.022 4.350 -0.000 0.000 0.265 214 E C -1.744 174.858 176.600 0.003 0.000 0.878 214 E CA -0.600 55.808 56.400 0.013 0.000 0.759 214 E CB 1.851 31.557 29.700 0.010 0.000 1.164 214 E HN 0.608 nan 8.360 nan 0.000 0.414 215 L N 3.274 124.493 121.223 -0.007 0.000 2.386 215 L HA 0.483 4.823 4.340 -0.000 0.000 0.271 215 L C -0.538 176.316 176.870 -0.027 0.000 0.993 215 L CA -0.741 54.089 54.840 -0.017 0.000 0.819 215 L CB 2.123 44.169 42.059 -0.021 0.000 1.294 215 L HN 0.476 nan 8.230 nan 0.000 0.414 216 E N 1.547 121.726 120.200 -0.034 0.000 2.145 216 E HA 0.310 4.660 4.350 -0.000 0.000 0.270 216 E C -0.416 176.138 176.600 -0.076 0.000 0.906 216 E CA -0.498 55.875 56.400 -0.045 0.000 0.761 216 E CB 1.625 31.304 29.700 -0.035 0.000 1.116 216 E HN 0.610 nan 8.360 nan 0.000 0.408 217 S N 2.102 117.746 115.700 -0.092 0.000 3.628 217 S HA -0.122 4.348 4.470 -0.000 0.000 0.373 217 S C -2.217 172.244 174.600 -0.231 0.000 0.968 217 S CA 0.266 58.376 58.200 -0.150 0.000 1.215 217 S CB -1.298 61.813 63.200 -0.149 0.000 0.912 217 S HN 0.483 nan 8.310 nan 0.000 0.495 218 P HA 0.517 nan 4.420 nan 0.000 0.282 218 P C -0.045 177.133 177.300 -0.204 0.000 1.259 218 P CA -0.664 62.337 63.100 -0.164 0.000 0.826 218 P CB 0.496 32.163 31.700 -0.056 0.000 1.064 219 F N 0.889 120.836 119.950 -0.004 0.000 2.389 219 F HA 0.328 4.855 4.527 0.000 0.000 0.337 219 F C 0.978 176.777 175.800 -0.002 0.000 1.112 219 F CA 0.058 58.056 58.000 -0.002 0.000 1.192 219 F CB 0.267 39.265 39.000 -0.004 0.000 1.185 219 F HN 0.064 nan 8.300 nan 0.000 0.552 220 I N 4.293 124.996 120.570 0.223 0.000 2.410 220 I HA 0.227 4.397 4.170 -0.000 0.000 0.286 220 I C -1.051 175.124 176.117 0.096 0.000 1.009 220 I CA -0.784 60.590 61.300 0.124 0.000 1.111 220 I CB 1.544 39.600 38.000 0.093 0.000 1.262 220 I HN 0.282 nan 8.210 nan 0.000 0.443 221 L N 8.385 129.648 121.223 0.066 0.000 2.290 221 L HA 0.471 4.811 4.340 -0.000 0.000 0.284 221 L C -0.923 175.965 176.870 0.029 0.000 1.078 221 L CA 0.113 54.974 54.840 0.035 0.000 0.815 221 L CB 0.622 42.693 42.059 0.019 0.000 1.162 221 L HN 0.457 nan 8.230 nan 0.000 0.435 222 L N 6.643 127.876 121.223 0.017 0.000 2.313 222 L HA 0.701 5.041 4.340 -0.000 0.000 0.273 222 L C -0.102 176.768 176.870 -0.001 0.000 1.028 222 L CA -0.311 54.532 54.840 0.005 0.000 0.871 222 L CB 1.098 43.155 42.059 -0.003 0.000 1.242 222 L HN 0.776 nan 8.230 nan 0.000 0.434 223 A N 1.396 124.217 122.820 0.003 0.000 2.304 223 A HA 0.455 4.775 4.320 -0.000 0.000 0.314 223 A C -0.481 177.104 177.584 0.001 0.000 1.187 223 A CA -0.475 51.564 52.037 0.003 0.000 0.810 223 A CB 0.908 19.914 19.000 0.009 0.000 1.183 223 A HN 0.650 nan 8.150 nan 0.000 0.487 224 D N 2.224 122.622 120.400 -0.003 0.000 2.943 224 D HA 0.388 5.028 4.640 -0.000 0.000 0.249 224 D C -0.029 176.273 176.300 0.004 0.000 1.231 224 D CA 0.132 54.130 54.000 -0.004 0.000 0.979 224 D CB -0.549 40.245 40.800 -0.011 0.000 1.053 224 D HN 0.636 nan 8.370 nan 0.000 0.504 225 K N -1.054 119.353 120.400 0.011 0.000 2.772 225 K HA 0.308 4.628 4.320 -0.000 0.000 0.292 225 K C -1.276 175.339 176.600 0.024 0.000 1.049 225 K CA -1.172 55.125 56.287 0.017 0.000 0.846 225 K CB 0.678 33.186 32.500 0.013 0.000 1.514 225 K HN -0.196 nan 8.250 nan 0.000 0.373 226 K N 1.173 121.589 120.400 0.027 0.000 2.234 226 K HA 0.372 4.692 4.320 -0.000 0.000 0.282 226 K C -0.569 176.049 176.600 0.031 0.000 1.039 226 K CA -0.419 55.888 56.287 0.033 0.000 0.928 226 K CB 0.717 33.238 32.500 0.034 0.000 1.039 226 K HN 0.368 nan 8.250 nan 0.000 0.470 227 I N 2.487 123.079 120.570 0.037 0.000 2.307 227 I HA 0.047 4.217 4.170 -0.000 0.000 0.289 227 I C 0.548 176.689 176.117 0.039 0.000 1.021 227 I CA 0.041 61.362 61.300 0.035 0.000 1.224 227 I CB 1.557 39.580 38.000 0.038 0.000 1.376 227 I HN 0.674 nan 8.210 nan 0.000 0.470 228 S N 3.560 119.279 115.700 0.032 0.000 2.545 228 S HA 0.190 4.660 4.470 -0.000 0.000 0.232 228 S C 0.667 175.284 174.600 0.029 0.000 1.070 228 S CA -0.079 58.140 58.200 0.032 0.000 0.923 228 S CB 0.234 63.449 63.200 0.026 0.000 0.806 228 S HN 0.591 nan 8.310 nan 0.000 0.506 229 N N 1.842 120.556 118.700 0.024 0.000 2.438 229 N HA 0.293 5.033 4.740 -0.000 0.000 0.282 229 N C 0.527 176.050 175.510 0.021 0.000 1.037 229 N CA -0.151 52.911 53.050 0.020 0.000 0.942 229 N CB 1.743 40.239 38.487 0.015 0.000 1.136 229 N HN 0.106 nan 8.380 nan 0.000 0.481 230 I N 2.561 123.144 120.570 0.021 0.000 2.315 230 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 230 I C 2.093 178.218 176.117 0.014 0.000 1.117 230 I CA 1.059 62.372 61.300 0.021 0.000 1.404 230 I CB 0.143 38.156 38.000 0.021 0.000 1.071 230 I HN 0.499 nan 8.210 nan 0.000 0.419 231 R N 0.863 121.370 120.500 0.011 0.000 2.189 231 R HA -0.289 4.051 4.340 -0.000 0.000 0.252 231 R C 1.999 178.302 176.300 0.005 0.000 1.134 231 R CA 2.639 58.743 56.100 0.007 0.000 0.954 231 R CB -0.609 29.695 30.300 0.006 0.000 0.890 231 R HN 0.577 nan 8.270 nan 0.000 0.443 232 E N -0.309 119.895 120.200 0.006 0.000 2.118 232 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 232 E C 2.026 178.626 176.600 0.001 0.000 0.992 232 E CA 1.169 57.571 56.400 0.004 0.000 0.804 232 E CB -0.084 29.620 29.700 0.007 0.000 0.741 232 E HN 0.300 nan 8.360 nan 0.000 0.458 233 M N 0.357 119.960 119.600 0.005 0.000 2.236 233 M HA -0.023 4.457 4.480 -0.000 0.000 0.266 233 M C 2.356 178.655 176.300 -0.002 0.000 1.070 233 M CA 0.925 56.227 55.300 0.003 0.000 1.137 233 M CB -0.763 31.845 32.600 0.013 0.000 1.378 233 M HN 0.147 nan 8.290 nan 0.000 0.426 234 L N 0.644 121.867 121.223 0.000 0.000 2.011 234 L HA -0.272 4.068 4.340 -0.000 0.000 0.225 234 L C -0.271 176.593 176.870 -0.010 0.000 1.084 234 L CA 2.115 56.954 54.840 -0.002 0.000 0.791 234 L CB -2.570 39.489 42.059 -0.001 0.000 0.898 234 L HN 0.193 nan 8.230 nan 0.000 0.440 235 P HA -0.110 nan 4.420 nan 0.000 0.217 235 P C 1.839 179.118 177.300 -0.036 0.000 1.150 235 P CA 1.407 64.493 63.100 -0.023 0.000 0.832 235 P CB 0.033 31.719 31.700 -0.022 0.000 0.787 236 V N 0.180 120.071 119.914 -0.038 0.000 2.488 236 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 236 V C 2.820 178.882 176.094 -0.053 0.000 1.046 236 V CA 1.229 63.495 62.300 -0.058 0.000 1.053 236 V CB -1.168 30.623 31.823 -0.053 0.000 0.679 236 V HN -0.009 nan 8.190 nan 0.000 0.458 237 L N -0.089 121.118 121.223 -0.026 0.000 2.042 237 L HA -0.214 4.125 4.340 -0.000 0.000 0.210 237 L C 2.586 179.450 176.870 -0.010 0.000 1.076 237 L CA 1.830 56.664 54.840 -0.010 0.000 0.749 237 L CB -0.595 41.465 42.059 0.003 0.000 0.893 237 L HN 0.409 nan 8.230 nan 0.000 0.432 238 E N 0.027 120.218 120.200 -0.015 0.000 2.107 238 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 238 E C 2.304 178.891 176.600 -0.022 0.000 0.982 238 E CA 0.968 57.361 56.400 -0.012 0.000 0.809 238 E CB -0.157 29.536 29.700 -0.011 0.000 0.756 238 E HN 0.482 nan 8.360 nan 0.000 0.459 239 A N 1.020 123.812 122.820 -0.047 0.000 1.933 239 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 239 A C 2.476 180.008 177.584 -0.086 0.000 1.175 239 A CA 1.140 53.132 52.037 -0.076 0.000 0.628 239 A CB -0.552 18.377 19.000 -0.117 0.000 0.814 239 A HN 0.118 nan 8.150 nan 0.000 0.444 240 V N -0.235 119.632 119.914 -0.078 0.000 2.379 240 V HA -0.185 3.935 4.120 -0.000 0.000 0.245 240 V C 3.037 179.175 176.094 0.073 0.000 1.044 240 V CA 1.644 63.942 62.300 -0.003 0.000 1.036 240 V CB -1.262 30.584 31.823 0.039 0.000 0.664 240 V HN 0.602 nan 8.190 nan 0.000 0.453 241 A N -0.246 122.597 122.820 0.038 0.000 1.917 241 A HA -0.303 4.017 4.320 -0.000 0.000 0.219 241 A C 2.328 179.937 177.584 0.042 0.000 1.182 241 A CA 2.279 54.340 52.037 0.040 0.000 0.633 241 A CB -0.495 18.519 19.000 0.023 0.000 0.819 241 A HN 0.521 nan 8.150 nan 0.000 0.448 242 K N -0.772 119.647 120.400 0.032 0.000 2.057 242 K HA -0.054 4.266 4.320 -0.000 0.000 0.207 242 K C 2.108 178.741 176.600 0.056 0.000 1.049 242 K CA 1.098 57.404 56.287 0.032 0.000 0.931 242 K CB -0.276 32.232 32.500 0.014 0.000 0.714 242 K HN 0.450 nan 8.250 nan 0.000 0.440 243 A N 0.298 123.175 122.820 0.095 0.000 2.209 243 A HA 0.062 4.382 4.320 -0.000 0.000 0.212 243 A C 1.335 178.995 177.584 0.126 0.000 1.158 243 A CA 1.070 53.198 52.037 0.152 0.000 0.742 243 A CB -0.539 18.654 19.000 0.322 0.000 0.790 243 A HN 0.474 nan 8.150 nan 0.000 0.472 244 G N -0.770 108.089 108.800 0.098 0.000 2.198 244 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.260 244 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.260 244 G C 0.099 175.032 174.900 0.055 0.000 1.025 244 G CA 0.871 46.009 45.100 0.063 0.000 0.769 244 G HN 0.622 nan 8.290 nan 0.000 0.507 245 K N 0.423 120.882 120.400 0.098 0.000 2.208 245 K HA 0.587 4.907 4.320 -0.000 0.000 0.247 245 K C -2.302 174.343 176.600 0.075 0.000 0.953 245 K CA -2.065 54.241 56.287 0.032 0.000 0.837 245 K CB 2.414 34.839 32.500 -0.126 0.000 1.131 245 K HN 0.038 nan 8.250 nan 0.000 0.431 246 P HA 0.177 nan 4.420 nan 0.000 0.276 246 P C -1.270 176.071 177.300 0.069 0.000 1.252 246 P CA -0.604 62.516 63.100 0.033 0.000 0.802 246 P CB 0.662 32.359 31.700 -0.003 0.000 1.035 247 L N 1.842 123.099 121.223 0.057 0.000 2.381 247 L HA 0.503 4.843 4.340 -0.000 0.000 0.274 247 L C -1.296 175.576 176.870 0.003 0.000 0.988 247 L CA -0.976 53.908 54.840 0.074 0.000 0.824 247 L CB 1.457 43.561 42.059 0.076 0.000 1.263 247 L HN 0.147 nan 8.230 nan 0.000 0.410 248 L N 6.296 127.531 121.223 0.020 0.000 2.272 248 L HA 0.563 4.903 4.340 -0.000 0.000 0.289 248 L C -0.938 175.938 176.870 0.011 0.000 1.032 248 L CA -0.131 54.704 54.840 -0.009 0.000 0.810 248 L CB 0.875 42.946 42.059 0.019 0.000 1.205 248 L HN 0.428 nan 8.230 nan 0.000 0.422 249 I N 7.090 127.647 120.570 -0.021 0.000 2.312 249 I HA 0.250 4.420 4.170 -0.000 0.000 0.291 249 I C 0.021 176.162 176.117 0.039 0.000 1.031 249 I CA -0.162 61.142 61.300 0.008 0.000 1.293 249 I CB 0.804 38.801 38.000 -0.004 0.000 1.403 249 I HN 0.545 nan 8.210 nan 0.000 0.484 250 I N 6.204 126.807 120.570 0.055 0.000 2.347 250 I HA 0.500 4.670 4.170 -0.000 0.000 0.283 250 I C 0.391 176.532 176.117 0.039 0.000 1.058 250 I CA -0.211 61.131 61.300 0.070 0.000 1.202 250 I CB 1.034 39.077 38.000 0.071 0.000 1.386 250 I HN 0.635 nan 8.210 nan 0.000 0.475 251 A N 4.519 127.368 122.820 0.048 0.000 2.387 251 A HA 0.422 4.742 4.320 -0.000 0.000 0.303 251 A C 1.003 178.611 177.584 0.040 0.000 1.145 251 A CA -0.556 51.503 52.037 0.036 0.000 0.801 251 A CB 1.359 20.383 19.000 0.041 0.000 1.342 251 A HN 0.729 nan 8.150 nan 0.000 0.440 252 E N -0.607 119.613 120.200 0.033 0.000 2.118 252 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 252 E C -0.361 176.272 176.600 0.055 0.000 0.992 252 E CA 1.749 58.173 56.400 0.040 0.000 0.804 252 E CB 0.123 29.844 29.700 0.036 0.000 0.741 252 E HN 0.633 nan 8.360 nan 0.000 0.458 253 D N -2.138 118.296 120.400 0.057 0.000 2.683 253 D HA 0.183 4.823 4.640 -0.000 0.000 0.246 253 D C -1.947 174.394 176.300 0.069 0.000 1.238 253 D CA -0.531 53.510 54.000 0.067 0.000 0.759 253 D CB 2.052 42.889 40.800 0.061 0.000 1.349 253 D HN -0.135 nan 8.370 nan 0.000 0.426 254 V N 2.386 122.352 119.914 0.086 0.000 2.376 254 V HA 0.471 4.591 4.120 -0.000 0.000 0.287 254 V C -0.014 176.135 176.094 0.092 0.000 1.015 254 V CA -0.640 61.715 62.300 0.092 0.000 0.834 254 V CB 1.361 33.254 31.823 0.117 0.000 1.001 254 V HN 0.425 nan 8.190 nan 0.000 0.428 255 E N 2.412 122.655 120.200 0.071 0.000 2.232 255 E HA 0.569 4.919 4.350 -0.000 0.000 0.265 255 E C 1.304 177.938 176.600 0.057 0.000 1.001 255 E CA -0.115 56.321 56.400 0.061 0.000 0.870 255 E CB 1.662 31.391 29.700 0.047 0.000 1.175 255 E HN 0.689 nan 8.360 nan 0.000 0.407 256 G N 1.627 110.456 108.800 0.048 0.000 3.898 256 G HA2 -0.470 3.490 3.960 -0.000 0.000 0.267 256 G HA3 -0.470 3.490 3.960 -0.000 0.000 0.267 256 G C 1.249 176.173 174.900 0.039 0.000 0.909 256 G CA 1.459 46.583 45.100 0.040 0.000 0.790 256 G HN 0.679 nan 8.290 nan 0.000 1.411 257 E N 1.046 121.265 120.200 0.033 0.000 2.033 257 E HA -0.191 4.159 4.350 -0.000 0.000 0.199 257 E C 3.027 179.650 176.600 0.038 0.000 1.011 257 E CA 2.032 58.449 56.400 0.029 0.000 0.815 257 E CB -0.663 29.051 29.700 0.024 0.000 0.755 257 E HN 0.500 nan 8.360 nan 0.000 0.451 258 A N 0.871 123.719 122.820 0.046 0.000 1.898 258 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 258 A C 2.251 179.886 177.584 0.083 0.000 1.181 258 A CA 1.374 53.446 52.037 0.057 0.000 0.620 258 A CB -0.629 18.404 19.000 0.055 0.000 0.819 258 A HN 0.322 nan 8.150 nan 0.000 0.442 259 L N -0.204 121.077 121.223 0.097 0.000 2.005 259 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 259 L C 2.741 179.673 176.870 0.103 0.000 1.072 259 L CA 2.145 57.069 54.840 0.140 0.000 0.744 259 L CB -0.838 41.301 42.059 0.134 0.000 0.895 259 L HN 0.350 nan 8.230 nan 0.000 0.433 260 A N -1.414 121.439 122.820 0.055 0.000 1.927 260 A HA -0.297 4.023 4.320 -0.000 0.000 0.220 260 A C 2.279 179.871 177.584 0.015 0.000 1.185 260 A CA 2.719 54.766 52.037 0.018 0.000 0.639 260 A CB -1.374 17.631 19.000 0.009 0.000 0.820 260 A HN 0.555 nan 8.150 nan 0.000 0.451 261 T N 0.279 114.855 114.554 0.037 0.000 2.777 261 T HA -0.042 4.308 4.350 -0.000 0.000 0.266 261 T C 1.812 176.551 174.700 0.064 0.000 1.040 261 T CA 1.420 63.542 62.100 0.036 0.000 1.141 261 T CB -0.377 68.513 68.868 0.036 0.000 0.868 261 T HN 0.388 nan 8.240 nan 0.000 0.444 262 L N 0.784 122.077 121.223 0.117 0.000 2.083 262 L HA -0.082 4.258 4.340 -0.000 0.000 0.209 262 L C 2.662 179.682 176.870 0.249 0.000 1.083 262 L CA 0.791 55.748 54.840 0.196 0.000 0.752 262 L CB -0.798 41.423 42.059 0.270 0.000 0.899 262 L HN 0.137 nan 8.230 nan 0.000 0.433 263 V N -0.581 119.420 119.914 0.145 0.000 2.261 263 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 263 V C 2.444 178.500 176.094 -0.064 0.000 1.047 263 V CA 1.686 63.968 62.300 -0.030 0.000 1.015 263 V CB -0.325 31.396 31.823 -0.170 0.000 0.642 263 V HN 0.200 nan 8.190 nan 0.000 0.446 264 V N 0.506 120.381 119.914 -0.064 0.000 2.407 264 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 264 V C 1.993 178.074 176.094 -0.022 0.000 1.055 264 V CA 2.475 64.733 62.300 -0.070 0.000 1.049 264 V CB -1.004 30.785 31.823 -0.057 0.000 0.662 264 V HN 0.632 nan 8.190 nan 0.000 0.455 265 N N -0.080 118.633 118.700 0.021 0.000 2.376 265 N HA -0.104 4.636 4.740 -0.000 0.000 0.177 265 N C 1.849 177.389 175.510 0.049 0.000 1.024 265 N CA 1.335 54.404 53.050 0.032 0.000 0.893 265 N CB 0.013 38.524 38.487 0.040 0.000 0.980 265 N HN 0.661 nan 8.380 nan 0.000 0.439 266 T N -1.527 113.080 114.554 0.088 0.000 3.067 266 T HA 0.060 4.410 4.350 -0.000 0.000 0.261 266 T C 1.726 176.467 174.700 0.067 0.000 1.110 266 T CA 0.243 62.404 62.100 0.103 0.000 1.113 266 T CB 0.035 69.024 68.868 0.201 0.000 0.917 266 T HN -0.032 nan 8.240 nan 0.000 0.499 267 M N 1.289 120.905 119.600 0.027 0.000 2.254 267 M HA 0.221 4.701 4.480 -0.000 0.000 0.265 267 M C 1.976 178.268 176.300 -0.014 0.000 1.066 267 M CA 1.295 56.586 55.300 -0.016 0.000 1.123 267 M CB -0.146 32.403 32.600 -0.086 0.000 1.388 267 M HN 0.095 nan 8.290 nan 0.000 0.425 268 R N -0.876 119.619 120.500 -0.009 0.000 2.356 268 R HA 0.324 4.664 4.340 -0.000 0.000 0.234 268 R C 1.168 177.469 176.300 0.001 0.000 0.929 268 R CA 0.543 56.638 56.100 -0.009 0.000 1.084 268 R CB -0.171 30.122 30.300 -0.012 0.000 1.105 268 R HN 0.567 nan 8.270 nan 0.000 0.515 269 G N 1.461 110.267 108.800 0.011 0.000 2.220 269 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.269 269 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.269 269 G C 0.950 175.860 174.900 0.017 0.000 0.977 269 G CA 0.637 45.746 45.100 0.015 0.000 0.634 269 G HN 0.329 nan 8.290 nan 0.000 0.539 270 I N -0.381 120.199 120.570 0.016 0.000 2.065 270 I HA -0.164 4.006 4.170 -0.000 0.000 0.236 270 I C 1.222 177.353 176.117 0.023 0.000 1.028 270 I CA 2.053 63.363 61.300 0.017 0.000 1.299 270 I CB -0.498 37.511 38.000 0.015 0.000 1.015 270 I HN 0.150 nan 8.210 nan 0.000 0.396 271 V N 0.000 119.933 119.914 0.031 0.000 2.841 271 V HA 0.267 4.387 4.120 -0.000 0.000 0.310 271 V C -0.735 175.383 176.094 0.040 0.000 1.090 271 V CA -1.024 61.296 62.300 0.035 0.000 0.930 271 V CB 1.891 33.734 31.823 0.034 0.000 1.014 271 V HN 0.092 nan 8.190 nan 0.000 0.425 272 K N 2.895 123.317 120.400 0.035 0.000 2.219 272 K HA 0.577 4.897 4.320 -0.000 0.000 0.280 272 K C -0.817 175.786 176.600 0.005 0.000 1.104 272 K CA 0.063 56.368 56.287 0.030 0.000 0.925 272 K CB 0.889 33.403 32.500 0.023 0.000 1.261 272 K HN 0.471 nan 8.250 nan 0.000 0.445 273 V N 1.609 121.514 119.914 -0.015 0.000 2.604 273 V HA 0.804 4.924 4.120 -0.000 0.000 0.305 273 V C -0.522 175.356 176.094 -0.360 0.000 1.043 273 V CA -1.108 61.129 62.300 -0.105 0.000 0.888 273 V CB 1.853 33.644 31.823 -0.053 0.000 0.995 273 V HN 0.703 nan 8.190 nan 0.000 0.429 274 A N 3.164 125.686 122.820 -0.497 0.000 2.401 274 A HA 1.007 5.327 4.320 -0.000 0.000 0.310 274 A C -0.446 176.756 177.584 -0.638 0.000 1.075 274 A CA -0.353 51.075 52.037 -1.015 0.000 0.746 274 A CB 1.872 20.563 19.000 -0.515 0.000 1.277 274 A HN 1.476 nan 8.150 nan 0.000 0.425 275 A N 0.882 123.300 122.820 -0.670 0.000 2.355 275 A HA 0.804 5.124 4.320 -0.000 0.000 0.317 275 A C -0.344 177.279 177.584 0.064 0.000 1.094 275 A CA -0.129 51.826 52.037 -0.136 0.000 0.764 275 A CB 1.210 20.211 19.000 0.002 0.000 1.230 275 A HN 2.266 nan 8.150 nan 0.000 0.448 276 V N -0.511 119.461 119.914 0.096 0.000 2.962 276 V HA 0.626 4.745 4.120 -0.000 0.000 0.313 276 V C -0.395 175.793 176.094 0.156 0.000 1.099 276 V CA -1.234 61.156 62.300 0.149 0.000 0.971 276 V CB 1.584 33.505 31.823 0.163 0.000 1.028 276 V HN 0.849 nan 8.190 nan 0.000 0.430 277 K N 2.020 122.514 120.400 0.157 0.000 2.355 277 K HA 0.582 4.902 4.320 -0.000 0.000 0.270 277 K C 0.444 177.134 176.600 0.150 0.000 1.003 277 K CA 0.344 56.711 56.287 0.133 0.000 0.957 277 K CB 1.177 33.747 32.500 0.116 0.000 0.939 277 K HN 1.110 nan 8.250 nan 0.000 0.482 278 A N 4.544 127.406 122.820 0.069 0.000 2.462 278 A HA 0.217 4.537 4.320 -0.000 0.000 0.243 278 A C -2.046 175.524 177.584 -0.023 0.000 1.076 278 A CA -1.129 50.891 52.037 -0.029 0.000 0.773 278 A CB -0.334 18.639 19.000 -0.045 0.000 1.010 278 A HN 0.431 nan 8.150 nan 0.000 0.493 279 P HA 0.415 nan 4.420 nan 0.000 0.272 279 P C 0.630 177.935 177.300 0.009 0.000 1.223 279 P CA 1.357 64.435 63.100 -0.036 0.000 0.784 279 P CB 0.533 32.121 31.700 -0.187 0.000 0.923 280 G N 1.054 109.913 108.800 0.098 0.000 2.855 280 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.352 280 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.352 280 G C -0.860 174.188 174.900 0.247 0.000 1.415 280 G CA -0.156 45.035 45.100 0.152 0.000 0.871 280 G HN 0.700 nan 8.290 nan 0.000 0.543 281 F N -1.523 118.440 119.950 0.022 0.000 2.650 281 F HA 0.885 5.412 4.527 -0.000 0.000 0.320 281 F C 1.093 176.906 175.800 0.022 0.000 1.091 281 F CA 0.057 58.070 58.000 0.021 0.000 0.962 281 F CB 0.981 39.998 39.000 0.028 0.000 1.363 281 F HN 2.463 nan 8.300 nan 0.000 0.482 282 G N 1.353 110.117 108.800 -0.060 0.000 2.574 282 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.286 282 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.286 282 G C 0.387 175.197 174.900 -0.149 0.000 1.212 282 G CA 0.670 45.678 45.100 -0.153 0.000 0.979 282 G HN 0.846 nan 8.290 nan 0.000 0.557 283 D N 1.045 121.343 120.400 -0.169 0.000 2.097 283 D HA -0.100 4.540 4.640 -0.000 0.000 0.195 283 D C 2.525 178.751 176.300 -0.123 0.000 0.989 283 D CA 1.829 55.759 54.000 -0.117 0.000 0.827 283 D CB -0.297 40.443 40.800 -0.100 0.000 0.966 283 D HN 0.705 nan 8.370 nan 0.000 0.456 284 R N 1.041 121.438 120.500 -0.172 0.000 2.285 284 R HA 0.010 4.350 4.340 -0.000 0.000 0.213 284 R C 2.090 178.322 176.300 -0.113 0.000 1.068 284 R CA 0.709 56.726 56.100 -0.139 0.000 1.004 284 R CB -0.403 29.804 30.300 -0.156 0.000 0.873 284 R HN 0.086 nan 8.270 nan 0.000 0.467 285 R N 1.790 122.225 120.500 -0.109 0.000 2.075 285 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 285 R C 1.394 177.651 176.300 -0.070 0.000 1.126 285 R CA 1.690 57.748 56.100 -0.071 0.000 0.963 285 R CB -0.021 30.260 30.300 -0.032 0.000 0.858 285 R HN 0.269 nan 8.270 nan 0.000 0.435 286 K N 0.170 120.533 120.400 -0.062 0.000 2.026 286 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 286 K C 2.162 178.726 176.600 -0.059 0.000 1.048 286 K CA 1.563 57.818 56.287 -0.053 0.000 0.929 286 K CB -0.214 32.261 32.500 -0.043 0.000 0.713 286 K HN 0.226 nan 8.250 nan 0.000 0.439 287 A N 1.303 124.085 122.820 -0.064 0.000 1.902 287 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 287 A C 2.155 179.695 177.584 -0.072 0.000 1.181 287 A CA 1.625 53.624 52.037 -0.062 0.000 0.623 287 A CB -0.487 18.475 19.000 -0.063 0.000 0.818 287 A HN 0.196 nan 8.150 nan 0.000 0.443 288 M N -0.967 118.580 119.600 -0.089 0.000 2.175 288 M HA -0.018 4.462 4.480 -0.000 0.000 0.264 288 M C 2.174 178.391 176.300 -0.139 0.000 1.063 288 M CA 1.061 56.294 55.300 -0.113 0.000 1.119 288 M CB -0.366 32.157 32.600 -0.129 0.000 1.377 288 M HN 0.404 nan 8.290 nan 0.000 0.415 289 L N 0.140 121.288 121.223 -0.126 0.000 2.079 289 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 289 L C 2.620 179.440 176.870 -0.083 0.000 1.081 289 L CA 1.400 56.169 54.840 -0.119 0.000 0.752 289 L CB -0.293 41.715 42.059 -0.085 0.000 0.896 289 L HN 0.335 nan 8.230 nan 0.000 0.433 290 Q N 0.037 119.797 119.800 -0.066 0.000 2.123 290 Q HA -0.205 4.135 4.340 -0.000 0.000 0.199 290 Q C 1.638 177.612 176.000 -0.043 0.000 0.966 290 Q CA 1.685 57.460 55.803 -0.046 0.000 0.845 290 Q CB -0.083 28.632 28.738 -0.039 0.000 0.907 290 Q HN 0.391 nan 8.270 nan 0.000 0.439 291 D N -0.110 120.258 120.400 -0.054 0.000 2.123 291 D HA -0.158 4.482 4.640 -0.000 0.000 0.196 291 D C 1.810 178.088 176.300 -0.037 0.000 0.992 291 D CA 1.382 55.356 54.000 -0.044 0.000 0.833 291 D CB -0.171 40.599 40.800 -0.051 0.000 0.954 291 D HN 0.382 nan 8.370 nan 0.000 0.455 292 I N 1.088 121.622 120.570 -0.060 0.000 2.179 292 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 292 I C 2.529 178.639 176.117 -0.011 0.000 1.088 292 I CA 1.010 62.288 61.300 -0.037 0.000 1.357 292 I CB -0.329 37.623 38.000 -0.081 0.000 1.051 292 I HN -0.077 nan 8.210 nan 0.000 0.409 293 A N 0.676 123.485 122.820 -0.019 0.000 1.873 293 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 293 A C 2.401 179.986 177.584 0.002 0.000 1.193 293 A CA 2.834 54.868 52.037 -0.004 0.000 0.629 293 A CB -1.343 17.650 19.000 -0.011 0.000 0.826 293 A HN 0.403 nan 8.150 nan 0.000 0.447 294 T N 0.152 114.703 114.554 -0.004 0.000 2.759 294 T HA -0.117 4.233 4.350 -0.000 0.000 0.269 294 T C 1.767 176.471 174.700 0.006 0.000 1.042 294 T CA 1.274 63.374 62.100 -0.001 0.000 1.140 294 T CB -0.256 68.608 68.868 -0.006 0.000 0.864 294 T HN 0.305 nan 8.240 nan 0.000 0.455 295 L N 1.661 122.889 121.223 0.008 0.000 2.156 295 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 295 L C 2.316 179.198 176.870 0.021 0.000 1.095 295 L CA 2.004 56.853 54.840 0.016 0.000 0.770 295 L CB -1.016 41.056 42.059 0.023 0.000 0.914 295 L HN 0.444 nan 8.230 nan 0.000 0.439 296 T N -4.690 109.879 114.554 0.026 0.000 3.069 296 T HA 0.248 4.598 4.350 -0.000 0.000 0.252 296 T C 1.265 175.988 174.700 0.037 0.000 1.053 296 T CA 0.398 62.519 62.100 0.034 0.000 0.964 296 T CB 0.228 69.124 68.868 0.045 0.000 1.005 296 T HN 0.449 nan 8.240 nan 0.000 0.532 297 G N 0.691 109.508 108.800 0.029 0.000 2.198 297 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.260 297 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.260 297 G C 0.388 175.309 174.900 0.036 0.000 1.025 297 G CA -0.129 44.989 45.100 0.030 0.000 0.769 297 G HN 1.026 nan 8.290 nan 0.000 0.507 298 G N -1.664 107.156 108.800 0.033 0.000 2.531 298 G HA2 0.735 4.695 3.960 -0.000 0.000 0.313 298 G HA3 0.735 4.695 3.960 -0.000 0.000 0.313 298 G C -0.377 174.532 174.900 0.014 0.000 1.238 298 G CA 0.238 45.357 45.100 0.032 0.000 0.994 298 G HN 0.647 nan 8.290 nan 0.000 0.493 299 T N 0.047 114.606 114.554 0.008 0.000 2.841 299 T HA 0.384 4.734 4.350 -0.000 0.000 0.285 299 T C -0.117 174.580 174.700 -0.005 0.000 0.991 299 T CA -0.292 61.807 62.100 -0.001 0.000 0.966 299 T CB 1.724 70.590 68.868 -0.004 0.000 0.962 299 T HN 0.336 nan 8.240 nan 0.000 0.438 300 V N 4.694 124.603 119.914 -0.009 0.000 2.529 300 V HA 0.176 4.296 4.120 -0.000 0.000 0.292 300 V C 0.411 176.499 176.094 -0.011 0.000 1.028 300 V CA -0.058 62.234 62.300 -0.012 0.000 1.074 300 V CB 0.013 31.826 31.823 -0.018 0.000 0.958 300 V HN 0.761 nan 8.190 nan 0.000 0.481 301 I N 5.796 126.360 120.570 -0.009 0.000 2.276 301 I HA 0.224 4.394 4.170 -0.000 0.000 0.290 301 I C 0.505 176.618 176.117 -0.007 0.000 1.109 301 I CA 0.275 61.570 61.300 -0.008 0.000 1.229 301 I CB 0.465 38.460 38.000 -0.008 0.000 1.452 301 I HN 0.715 nan 8.210 nan 0.000 0.497 302 S N 2.917 118.612 115.700 -0.007 0.000 2.501 302 S HA 0.385 4.855 4.470 -0.000 0.000 0.301 302 S C 0.595 175.193 174.600 -0.004 0.000 1.096 302 S CA -0.844 57.352 58.200 -0.006 0.000 1.063 302 S CB 2.095 65.290 63.200 -0.009 0.000 1.042 302 S HN 0.555 nan 8.310 nan 0.000 0.494 303 E N 1.261 121.460 120.200 -0.002 0.000 2.274 303 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 303 E C 1.285 177.884 176.600 -0.001 0.000 0.996 303 E CA 0.889 57.289 56.400 -0.001 0.000 0.840 303 E CB -0.026 29.675 29.700 0.002 0.000 0.772 303 E HN 0.810 nan 8.360 nan 0.000 0.491 304 E N 0.477 120.676 120.200 -0.003 0.000 2.153 304 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 304 E C 1.592 178.190 176.600 -0.004 0.000 0.988 304 E CA 0.844 57.242 56.400 -0.003 0.000 0.811 304 E CB -0.048 29.649 29.700 -0.005 0.000 0.746 304 E HN 0.344 nan 8.360 nan 0.000 0.466 305 I N 0.021 120.588 120.570 -0.005 0.000 3.812 305 I HA 0.151 4.321 4.170 -0.000 0.000 0.320 305 I C 0.981 177.095 176.117 -0.005 0.000 1.276 305 I CA 0.137 61.434 61.300 -0.006 0.000 1.164 305 I CB -0.038 37.958 38.000 -0.007 0.000 1.009 305 I HN 0.127 nan 8.210 nan 0.000 0.431 306 G N 1.958 110.756 108.800 -0.004 0.000 2.225 306 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.264 306 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.264 306 G C 0.040 174.938 174.900 -0.004 0.000 1.060 306 G CA -0.144 44.954 45.100 -0.003 0.000 0.833 306 G HN 0.336 nan 8.290 nan 0.000 0.498 307 M N 0.057 119.653 119.600 -0.005 0.000 2.300 307 M HA 0.506 4.986 4.480 -0.000 0.000 0.348 307 M C 0.276 176.572 176.300 -0.006 0.000 1.151 307 M CA -0.337 54.960 55.300 -0.006 0.000 1.046 307 M CB 1.471 34.066 32.600 -0.008 0.000 1.647 307 M HN 0.237 nan 8.290 nan 0.000 0.451 308 E N 1.884 122.080 120.200 -0.007 0.000 2.212 308 E HA 0.321 4.671 4.350 -0.000 0.000 0.270 308 E C 0.268 176.862 176.600 -0.009 0.000 0.956 308 E CA -0.565 55.832 56.400 -0.006 0.000 0.825 308 E CB 2.068 31.765 29.700 -0.006 0.000 1.167 308 E HN 0.669 nan 8.360 nan 0.000 0.400 309 L N 1.485 122.703 121.223 -0.007 0.000 2.291 309 L HA -0.143 4.197 4.340 -0.000 0.000 0.214 309 L C 1.584 178.445 176.870 -0.014 0.000 1.120 309 L CA 0.958 55.791 54.840 -0.010 0.000 0.799 309 L CB -0.176 41.880 42.059 -0.005 0.000 0.925 309 L HN 0.545 nan 8.230 nan 0.000 0.446 310 E N 0.463 120.656 120.200 -0.012 0.000 2.106 310 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 310 E C 0.941 177.531 176.600 -0.018 0.000 0.984 310 E CA 0.982 57.374 56.400 -0.014 0.000 0.806 310 E CB 0.015 29.709 29.700 -0.009 0.000 0.750 310 E HN 0.260 nan 8.360 nan 0.000 0.458 311 K N 0.477 120.867 120.400 -0.017 0.000 3.129 311 K HA 0.436 4.756 4.320 -0.000 0.000 0.241 311 K C -0.833 175.753 176.600 -0.025 0.000 1.239 311 K CA -0.247 56.029 56.287 -0.019 0.000 1.239 311 K CB 0.840 33.331 32.500 -0.015 0.000 1.347 311 K HN -0.018 nan 8.250 nan 0.000 0.435 312 A N 0.920 123.721 122.820 -0.032 0.000 2.374 312 A HA 0.515 4.835 4.320 -0.000 0.000 0.305 312 A C 0.017 177.565 177.584 -0.061 0.000 1.053 312 A CA -0.649 51.363 52.037 -0.041 0.000 0.726 312 A CB 0.991 19.968 19.000 -0.038 0.000 1.229 312 A HN 0.270 nan 8.150 nan 0.000 0.431 313 T N -0.346 114.165 114.554 -0.071 0.000 2.870 313 T HA 0.550 4.900 4.350 -0.000 0.000 0.277 313 T C 1.157 175.765 174.700 -0.153 0.000 1.000 313 T CA -0.724 61.317 62.100 -0.098 0.000 0.982 313 T CB 0.419 69.242 68.868 -0.074 0.000 1.249 313 T HN 0.338 nan 8.240 nan 0.000 0.589 314 L N 0.048 121.143 121.223 -0.214 0.000 2.127 314 L HA -0.071 4.269 4.340 -0.000 0.000 0.211 314 L C 2.909 179.648 176.870 -0.219 0.000 1.089 314 L CA 1.705 56.322 54.840 -0.371 0.000 0.757 314 L CB -0.544 41.274 42.059 -0.402 0.000 0.899 314 L HN 0.873 nan 8.230 nan 0.000 0.434 315 E N 0.145 120.282 120.200 -0.105 0.000 2.204 315 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 315 E C 1.488 178.073 176.600 -0.024 0.000 0.989 315 E CA 1.113 57.491 56.400 -0.037 0.000 0.824 315 E CB 0.177 29.862 29.700 -0.025 0.000 0.756 315 E HN 0.457 nan 8.360 nan 0.000 0.477 316 D N 0.073 120.446 120.400 -0.045 0.000 2.183 316 D HA -0.074 4.566 4.640 -0.000 0.000 0.203 316 D C 0.257 176.551 176.300 -0.010 0.000 0.969 316 D CA 0.410 54.394 54.000 -0.027 0.000 0.842 316 D CB 0.071 40.849 40.800 -0.036 0.000 0.957 316 D HN 0.132 nan 8.370 nan 0.000 0.484 317 L N 0.791 121.998 121.223 -0.026 0.000 2.439 317 L HA 0.278 4.618 4.340 -0.000 0.000 0.269 317 L C 1.454 178.397 176.870 0.122 0.000 1.179 317 L CA 0.086 54.945 54.840 0.033 0.000 0.828 317 L CB 0.614 42.660 42.059 -0.021 0.000 1.106 317 L HN -0.156 nan 8.230 nan 0.000 0.467 318 G N 1.087 109.965 108.800 0.129 0.000 2.525 318 G HA2 0.548 4.508 3.960 -0.000 0.000 0.287 318 G HA3 0.548 4.508 3.960 -0.000 0.000 0.287 318 G C -1.002 173.998 174.900 0.168 0.000 1.350 318 G CA -0.216 44.958 45.100 0.124 0.000 1.039 318 G HN 0.543 nan 8.290 nan 0.000 0.513 319 Q N -2.237 117.614 119.800 0.085 0.000 2.426 319 Q HA 0.563 4.903 4.340 -0.000 0.000 0.278 319 Q C -1.349 174.645 176.000 -0.009 0.000 1.007 319 Q CA -0.692 55.119 55.803 0.013 0.000 0.850 319 Q CB 2.283 31.007 28.738 -0.024 0.000 1.427 319 Q HN 1.019 nan 8.270 nan 0.000 0.391 320 A N 1.644 124.439 122.820 -0.042 0.000 2.606 320 A HA 0.427 4.747 4.320 -0.000 0.000 0.293 320 A C -0.501 177.051 177.584 -0.053 0.000 1.082 320 A CA -0.605 51.414 52.037 -0.030 0.000 0.685 320 A CB 1.524 20.522 19.000 -0.004 0.000 1.284 320 A HN 0.769 nan 8.150 nan 0.000 0.408 321 K N -0.449 119.928 120.400 -0.040 0.000 2.147 321 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 321 K C 0.627 177.202 176.600 -0.041 0.000 1.049 321 K CA 1.311 57.572 56.287 -0.044 0.000 0.936 321 K CB 0.107 32.589 32.500 -0.031 0.000 0.722 321 K HN 0.528 nan 8.250 nan 0.000 0.446 322 R N 0.030 120.512 120.500 -0.030 0.000 2.561 322 R HA 0.162 4.502 4.340 -0.000 0.000 0.266 322 R C -1.843 174.447 176.300 -0.016 0.000 1.091 322 R CA -0.469 55.616 56.100 -0.024 0.000 0.927 322 R CB 1.912 32.201 30.300 -0.018 0.000 1.240 322 R HN -0.046 nan 8.270 nan 0.000 0.449 323 V N 1.252 121.156 119.914 -0.016 0.000 2.656 323 V HA 0.846 4.966 4.120 -0.000 0.000 0.307 323 V C -1.269 174.816 176.094 -0.016 0.000 1.051 323 V CA -0.549 61.743 62.300 -0.014 0.000 0.893 323 V CB 2.109 33.928 31.823 -0.006 0.000 0.999 323 V HN 0.426 nan 8.190 nan 0.000 0.426 324 V N 6.516 126.415 119.914 -0.025 0.000 2.531 324 V HA 0.604 4.724 4.120 -0.000 0.000 0.301 324 V C -0.175 175.901 176.094 -0.029 0.000 1.034 324 V CA -0.416 61.876 62.300 -0.014 0.000 0.865 324 V CB 1.621 33.437 31.823 -0.012 0.000 0.995 324 V HN 1.054 nan 8.190 nan 0.000 0.424 325 I N 1.627 122.207 120.570 0.017 0.000 2.466 325 I HA 0.663 4.833 4.170 -0.000 0.000 0.289 325 I C -0.684 175.494 176.117 0.100 0.000 1.026 325 I CA -0.433 60.880 61.300 0.022 0.000 1.078 325 I CB 2.077 40.098 38.000 0.034 0.000 1.249 325 I HN 0.460 nan 8.210 nan 0.000 0.429 326 N N 5.331 124.025 118.700 -0.009 0.000 2.514 326 N HA 0.201 4.941 4.740 -0.000 0.000 0.299 326 N C 0.704 175.998 175.510 -0.360 0.000 1.292 326 N CA -0.562 52.474 53.050 -0.024 0.000 0.963 326 N CB 0.743 39.194 38.487 -0.060 0.000 1.124 326 N HN 0.664 nan 8.380 nan 0.000 0.580 327 K N 0.099 120.278 120.400 -0.369 0.000 2.209 327 K HA -0.155 4.165 4.320 -0.000 0.000 0.204 327 K C -0.384 175.915 176.600 -0.503 0.000 1.048 327 K CA 1.834 57.721 56.287 -0.666 0.000 0.940 327 K CB 0.019 32.387 32.500 -0.219 0.000 0.729 327 K HN 0.611 nan 8.250 nan 0.000 0.451 328 D N -2.039 118.187 120.400 -0.290 0.000 2.672 328 D HA 0.089 4.729 4.640 -0.000 0.000 0.287 328 D C -0.707 175.506 176.300 -0.144 0.000 1.559 328 D CA -0.455 53.431 54.000 -0.189 0.000 0.796 328 D CB 0.800 41.530 40.800 -0.118 0.000 1.181 328 D HN -0.186 nan 8.370 nan 0.000 0.458 329 T N -0.213 114.237 114.554 -0.174 0.000 2.912 329 T HA 0.602 4.952 4.350 -0.000 0.000 0.299 329 T C -1.145 173.388 174.700 -0.278 0.000 1.052 329 T CA -0.398 61.586 62.100 -0.193 0.000 0.996 329 T CB 2.114 70.906 68.868 -0.127 0.000 1.070 329 T HN -0.104 nan 8.240 nan 0.000 0.465 330 T N 2.304 116.551 114.554 -0.512 0.000 2.786 330 T HA 0.590 4.940 4.350 -0.000 0.000 0.283 330 T C -0.380 173.998 174.700 -0.536 0.000 0.992 330 T CA -0.483 61.243 62.100 -0.623 0.000 0.954 330 T CB 1.346 69.583 68.868 -1.052 0.000 0.934 330 T HN 0.611 nan 8.240 nan 0.000 0.440 331 T N 3.875 118.276 114.554 -0.256 0.000 2.809 331 T HA 0.659 5.009 4.350 -0.000 0.000 0.284 331 T C -0.542 174.124 174.700 -0.057 0.000 0.992 331 T CA -0.723 61.297 62.100 -0.135 0.000 0.957 331 T CB 0.119 68.938 68.868 -0.083 0.000 0.942 331 T HN 0.479 nan 8.240 nan 0.000 0.439 332 I N 6.143 126.713 120.570 0.001 0.000 2.312 332 I HA 0.425 4.595 4.170 -0.000 0.000 0.290 332 I C -0.382 175.749 176.117 0.024 0.000 1.008 332 I CA -0.782 60.539 61.300 0.035 0.000 1.226 332 I CB 1.244 39.301 38.000 0.095 0.000 1.371 332 I HN 0.584 nan 8.210 nan 0.000 0.468 333 I N 6.100 126.676 120.570 0.009 0.000 2.355 333 I HA 0.254 4.424 4.170 -0.000 0.000 0.288 333 I C -0.413 175.705 176.117 0.001 0.000 0.999 333 I CA -0.322 60.980 61.300 0.004 0.000 1.163 333 I CB 1.124 39.122 38.000 -0.004 0.000 1.316 333 I HN 0.554 nan 8.210 nan 0.000 0.454 334 D N 4.994 125.397 120.400 0.004 0.000 3.241 334 D HA -0.112 4.527 4.640 -0.000 0.000 0.248 334 D C 0.214 176.514 176.300 0.000 0.000 1.093 334 D CA 0.880 54.880 54.000 0.000 0.000 0.940 334 D CB -0.333 40.463 40.800 -0.006 0.000 0.980 334 D HN 0.798 nan 8.370 nan 0.000 0.421 335 G N 0.297 109.102 108.800 0.009 0.000 2.483 335 G HA2 0.354 4.314 3.960 -0.000 0.000 0.248 335 G HA3 0.354 4.314 3.960 -0.000 0.000 0.248 335 G C 1.456 176.360 174.900 0.007 0.000 1.248 335 G CA -0.242 44.865 45.100 0.012 0.000 0.838 335 G HN 0.317 nan 8.290 nan 0.000 0.566 336 V N 2.541 122.459 119.914 0.008 0.000 2.809 336 V HA -0.005 4.115 4.120 -0.000 0.000 0.256 336 V C 2.279 178.381 176.094 0.013 0.000 1.080 336 V CA 1.160 63.465 62.300 0.008 0.000 1.102 336 V CB -1.120 30.710 31.823 0.012 0.000 0.705 336 V HN 0.892 nan 8.190 nan 0.000 0.475 337 G N 0.980 109.789 108.800 0.016 0.000 2.238 337 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.234 337 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.234 337 G C -0.062 174.843 174.900 0.010 0.000 1.181 337 G CA -0.077 45.031 45.100 0.014 0.000 0.871 337 G HN 0.540 nan 8.290 nan 0.000 0.490 338 E N 1.515 121.720 120.200 0.009 0.000 2.354 338 E HA 0.058 4.408 4.350 -0.000 0.000 0.269 338 E C 0.976 177.578 176.600 0.004 0.000 1.036 338 E CA -0.263 56.140 56.400 0.006 0.000 0.876 338 E CB 1.380 31.083 29.700 0.006 0.000 1.009 338 E HN 0.677 nan 8.360 nan 0.000 0.416 339 E N 1.674 121.876 120.200 0.003 0.000 2.160 339 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 339 E C 1.826 178.427 176.600 0.001 0.000 0.991 339 E CA 0.974 57.376 56.400 0.002 0.000 0.810 339 E CB -0.029 29.672 29.700 0.002 0.000 0.742 339 E HN 0.599 nan 8.360 nan 0.000 0.466 340 A N 1.695 124.516 122.820 0.001 0.000 1.865 340 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 340 A C 2.420 180.004 177.584 -0.000 0.000 1.191 340 A CA 2.015 54.052 52.037 0.000 0.000 0.623 340 A CB -0.716 18.285 19.000 0.001 0.000 0.826 340 A HN 0.314 nan 8.150 nan 0.000 0.444 341 A N -0.619 122.201 122.820 0.001 0.000 1.930 341 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 341 A C 2.149 179.732 177.584 -0.001 0.000 1.175 341 A CA 1.425 53.462 52.037 -0.000 0.000 0.627 341 A CB -0.531 18.470 19.000 0.001 0.000 0.815 341 A HN 0.498 nan 8.150 nan 0.000 0.443 342 I N -1.105 119.465 120.570 0.000 0.000 2.133 342 I HA -0.225 3.945 4.170 -0.000 0.000 0.238 342 I C 2.724 178.840 176.117 -0.002 0.000 1.074 342 I CA 1.579 62.879 61.300 -0.000 0.000 1.342 342 I CB -0.285 37.717 38.000 0.002 0.000 1.053 342 I HN 0.296 nan 8.210 nan 0.000 0.404 343 Q N 1.341 121.140 119.800 -0.002 0.000 2.135 343 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 343 Q C 2.055 178.052 176.000 -0.004 0.000 0.981 343 Q CA 2.052 57.853 55.803 -0.003 0.000 0.856 343 Q CB -0.877 27.860 28.738 -0.002 0.000 0.902 343 Q HN 0.507 nan 8.270 nan 0.000 0.425 344 G N -0.157 108.641 108.800 -0.004 0.000 2.422 344 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.218 344 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.218 344 G C 1.601 176.496 174.900 -0.007 0.000 1.146 344 G CA 0.875 45.972 45.100 -0.005 0.000 0.769 344 G HN 0.391 nan 8.290 nan 0.000 0.547 345 R N 0.032 120.527 120.500 -0.008 0.000 2.075 345 R HA 0.030 4.370 4.340 -0.000 0.000 0.232 345 R C 2.580 178.873 176.300 -0.012 0.000 1.126 345 R CA 1.265 57.359 56.100 -0.011 0.000 0.963 345 R CB -0.701 29.593 30.300 -0.011 0.000 0.858 345 R HN 0.182 nan 8.270 nan 0.000 0.435 346 V N 0.957 120.865 119.914 -0.010 0.000 2.287 346 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 346 V C 2.371 178.459 176.094 -0.011 0.000 1.053 346 V CA 2.092 64.385 62.300 -0.010 0.000 1.027 346 V CB -0.953 30.866 31.823 -0.007 0.000 0.646 346 V HN 0.587 nan 8.190 nan 0.000 0.447 347 A N -1.053 121.762 122.820 -0.009 0.000 1.933 347 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 347 A C 2.161 179.738 177.584 -0.011 0.000 1.175 347 A CA 1.981 54.012 52.037 -0.009 0.000 0.628 347 A CB -0.467 18.528 19.000 -0.007 0.000 0.814 347 A HN 0.653 nan 8.150 nan 0.000 0.444 348 Q N -0.399 119.394 119.800 -0.012 0.000 2.002 348 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 348 Q C 2.076 178.066 176.000 -0.017 0.000 0.988 348 Q CA 1.817 57.611 55.803 -0.014 0.000 0.843 348 Q CB -0.395 28.334 28.738 -0.015 0.000 0.908 348 Q HN 0.746 nan 8.270 nan 0.000 0.420 349 I N 0.192 120.750 120.570 -0.019 0.000 2.286 349 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 349 I C 2.547 178.651 176.117 -0.022 0.000 1.115 349 I CA 1.068 62.354 61.300 -0.024 0.000 1.392 349 I CB -0.285 37.699 38.000 -0.026 0.000 1.065 349 I HN 0.147 nan 8.210 nan 0.000 0.418 350 R N 0.554 121.043 120.500 -0.018 0.000 2.148 350 R HA -0.156 4.184 4.340 -0.000 0.000 0.227 350 R C 2.298 178.590 176.300 -0.014 0.000 1.103 350 R CA 1.118 57.209 56.100 -0.015 0.000 0.983 350 R CB 0.006 30.299 30.300 -0.012 0.000 0.874 350 R HN 0.440 nan 8.270 nan 0.000 0.451 351 Q N -0.340 119.452 119.800 -0.014 0.000 2.083 351 Q HA -0.143 4.197 4.340 -0.000 0.000 0.198 351 Q C 2.008 177.999 176.000 -0.014 0.000 0.969 351 Q CA 1.146 56.942 55.803 -0.012 0.000 0.838 351 Q CB 0.200 28.931 28.738 -0.011 0.000 0.900 351 Q HN 0.482 nan 8.270 nan 0.000 0.436 352 Q N 0.323 120.112 119.800 -0.018 0.000 2.135 352 Q HA -0.177 4.162 4.340 -0.000 0.000 0.204 352 Q C 2.081 178.068 176.000 -0.021 0.000 0.981 352 Q CA 1.085 56.876 55.803 -0.020 0.000 0.856 352 Q CB -0.295 28.427 28.738 -0.026 0.000 0.902 352 Q HN 0.468 nan 8.270 nan 0.000 0.425 353 I N 1.412 121.969 120.570 -0.022 0.000 2.335 353 I HA -0.251 3.919 4.170 -0.000 0.000 0.251 353 I C 2.152 178.261 176.117 -0.015 0.000 1.129 353 I CA 1.022 62.309 61.300 -0.021 0.000 1.402 353 I CB -0.318 37.669 38.000 -0.022 0.000 1.069 353 I HN 0.161 nan 8.210 nan 0.000 0.424 354 E N 1.031 121.224 120.200 -0.012 0.000 2.106 354 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 354 E C 1.718 178.313 176.600 -0.007 0.000 0.984 354 E CA 1.167 57.562 56.400 -0.008 0.000 0.806 354 E CB -0.285 29.410 29.700 -0.007 0.000 0.750 354 E HN 0.628 nan 8.360 nan 0.000 0.458 355 E N 0.783 120.978 120.200 -0.009 0.000 2.478 355 E HA 0.188 4.538 4.350 -0.000 0.000 0.194 355 E C 0.342 176.939 176.600 -0.006 0.000 1.045 355 E CA -0.012 56.384 56.400 -0.007 0.000 0.868 355 E CB 0.371 30.066 29.700 -0.008 0.000 0.885 355 E HN 0.071 nan 8.360 nan 0.000 0.505 356 A N 1.602 124.418 122.820 -0.008 0.000 2.524 356 A HA 0.073 4.393 4.320 -0.000 0.000 0.250 356 A C 1.151 178.737 177.584 0.003 0.000 1.078 356 A CA 0.165 52.199 52.037 -0.005 0.000 0.761 356 A CB -0.029 18.963 19.000 -0.012 0.000 1.012 356 A HN 0.214 nan 8.150 nan 0.000 0.500 357 T N -0.697 113.862 114.554 0.009 0.000 3.105 357 T HA 0.381 4.731 4.350 -0.000 0.000 0.253 357 T C 0.424 175.137 174.700 0.022 0.000 1.047 357 T CA 0.395 62.503 62.100 0.013 0.000 0.944 357 T CB -0.356 68.519 68.868 0.011 0.000 1.016 357 T HN 1.172 nan 8.240 nan 0.000 0.544 358 S N -0.355 115.364 115.700 0.031 0.000 2.536 358 S HA 0.382 4.852 4.470 -0.000 0.000 0.271 358 S C -0.250 174.385 174.600 0.059 0.000 1.134 358 S CA -0.632 57.599 58.200 0.053 0.000 0.897 358 S CB 1.767 65.013 63.200 0.077 0.000 1.094 358 S HN -0.040 nan 8.310 nan 0.000 0.473 359 D N 1.966 122.408 120.400 0.070 0.000 2.104 359 D HA -0.094 4.546 4.640 -0.000 0.000 0.194 359 D C 1.367 177.714 176.300 0.079 0.000 0.994 359 D CA 1.680 55.718 54.000 0.063 0.000 0.830 359 D CB -0.392 40.448 40.800 0.068 0.000 0.959 359 D HN 0.709 nan 8.370 nan 0.000 0.452 360 Y N 2.326 122.628 120.300 0.003 0.000 2.081 360 Y HA -0.236 4.314 4.550 -0.000 0.000 0.280 360 Y C 1.853 177.751 175.900 -0.003 0.000 1.163 360 Y CA 1.841 59.943 58.100 0.004 0.000 1.135 360 Y CB -0.249 38.215 38.460 0.007 0.000 0.970 360 Y HN -0.056 nan 8.280 nan 0.000 0.498 361 D N -0.338 120.052 120.400 -0.016 0.000 2.123 361 D HA -0.228 4.411 4.640 -0.000 0.000 0.196 361 D C 2.264 178.487 176.300 -0.128 0.000 0.992 361 D CA 1.573 55.512 54.000 -0.101 0.000 0.833 361 D CB -0.385 40.411 40.800 -0.006 0.000 0.954 361 D HN 0.383 nan 8.370 nan 0.000 0.455 362 R N 0.990 121.447 120.500 -0.072 0.000 2.083 362 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 362 R C 2.121 178.368 176.300 -0.088 0.000 1.137 362 R CA 1.330 57.394 56.100 -0.060 0.000 0.951 362 R CB 0.121 30.405 30.300 -0.026 0.000 0.851 362 R HN 0.095 nan 8.270 nan 0.000 0.434 363 E N 0.710 120.843 120.200 -0.112 0.000 2.077 363 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 363 E C 1.866 178.372 176.600 -0.156 0.000 0.989 363 E CA 0.916 57.248 56.400 -0.113 0.000 0.800 363 E CB -0.130 29.512 29.700 -0.097 0.000 0.746 363 E HN 0.257 nan 8.360 nan 0.000 0.452 364 K N 0.889 121.130 120.400 -0.265 0.000 2.097 364 K HA -0.036 4.284 4.320 -0.000 0.000 0.206 364 K C 2.413 178.924 176.600 -0.149 0.000 1.049 364 K CA 0.620 56.757 56.287 -0.250 0.000 0.933 364 K CB -0.481 31.797 32.500 -0.370 0.000 0.717 364 K HN 0.198 nan 8.250 nan 0.000 0.442 365 L N 0.808 121.955 121.223 -0.128 0.000 2.109 365 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 365 L C 2.537 179.369 176.870 -0.062 0.000 1.086 365 L CA 1.105 55.894 54.840 -0.084 0.000 0.760 365 L CB -0.318 41.700 42.059 -0.070 0.000 0.910 365 L HN 0.207 nan 8.230 nan 0.000 0.437 366 Q N -0.222 119.542 119.800 -0.060 0.000 2.119 366 Q HA -0.206 4.134 4.340 -0.000 0.000 0.201 366 Q C 2.077 178.056 176.000 -0.035 0.000 0.972 366 Q CA 1.258 57.037 55.803 -0.041 0.000 0.847 366 Q CB -0.011 28.706 28.738 -0.035 0.000 0.903 366 Q HN 0.504 nan 8.270 nan 0.000 0.433 367 E N 0.464 120.638 120.200 -0.044 0.000 2.058 367 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 367 E C 2.082 178.668 176.600 -0.023 0.000 0.997 367 E CA 0.904 57.286 56.400 -0.030 0.000 0.801 367 E CB 0.015 29.692 29.700 -0.037 0.000 0.746 367 E HN 0.250 nan 8.360 nan 0.000 0.450 368 R N 0.349 120.827 120.500 -0.036 0.000 2.080 368 R HA -0.156 4.184 4.340 -0.000 0.000 0.236 368 R C 2.758 179.046 176.300 -0.020 0.000 1.137 368 R CA 1.805 57.886 56.100 -0.030 0.000 0.943 368 R CB -0.955 29.318 30.300 -0.044 0.000 0.846 368 R HN 0.244 nan 8.270 nan 0.000 0.431 369 V N -0.984 118.916 119.914 -0.022 0.000 2.287 369 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 369 V C 2.397 178.486 176.094 -0.008 0.000 1.053 369 V CA 1.901 64.192 62.300 -0.015 0.000 1.027 369 V CB -1.199 30.614 31.823 -0.017 0.000 0.646 369 V HN 0.291 nan 8.190 nan 0.000 0.447 370 A N 0.499 123.314 122.820 -0.008 0.000 1.908 370 A HA -0.237 4.082 4.320 -0.000 0.000 0.218 370 A C 2.341 179.928 177.584 0.005 0.000 1.181 370 A CA 2.439 54.475 52.037 -0.002 0.000 0.627 370 A CB -0.637 18.361 19.000 -0.003 0.000 0.818 370 A HN 0.661 nan 8.150 nan 0.000 0.445 371 K N -1.265 119.141 120.400 0.009 0.000 2.001 371 K HA -0.043 4.277 4.320 -0.000 0.000 0.208 371 K C 1.874 178.485 176.600 0.019 0.000 1.048 371 K CA 1.257 57.557 56.287 0.022 0.000 0.932 371 K CB -0.301 32.219 32.500 0.034 0.000 0.715 371 K HN 0.333 nan 8.250 nan 0.000 0.437 372 L N 0.464 121.693 121.223 0.010 0.000 2.141 372 L HA -0.055 4.285 4.340 -0.000 0.000 0.209 372 L C 1.941 178.815 176.870 0.006 0.000 1.094 372 L CA 1.551 56.395 54.840 0.007 0.000 0.763 372 L CB -0.401 41.657 42.059 -0.002 0.000 0.908 372 L HN 0.121 nan 8.230 nan 0.000 0.437 373 A N -1.825 120.997 122.820 0.003 0.000 2.147 373 A HA 0.282 4.602 4.320 -0.000 0.000 0.211 373 A C 2.161 179.748 177.584 0.004 0.000 1.160 373 A CA 0.639 52.677 52.037 0.002 0.000 0.781 373 A CB -0.688 18.311 19.000 -0.001 0.000 0.842 373 A HN 0.406 nan 8.150 nan 0.000 0.475 374 G N -0.622 108.182 108.800 0.006 0.000 2.494 374 G HA2 0.370 4.329 3.960 -0.000 0.000 0.216 374 G HA3 0.370 4.329 3.960 -0.000 0.000 0.216 374 G C 1.169 176.073 174.900 0.008 0.000 1.140 374 G CA 0.685 45.788 45.100 0.006 0.000 0.801 374 G HN 1.452 nan 8.290 nan 0.000 0.536 375 G N -1.125 107.681 108.800 0.011 0.000 2.578 375 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.275 375 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.275 375 G C -0.443 174.464 174.900 0.011 0.000 1.271 375 G CA 0.111 45.218 45.100 0.012 0.000 0.941 375 G HN 1.065 nan 8.290 nan 0.000 0.564 376 V N 0.229 120.148 119.914 0.009 0.000 2.623 376 V HA 0.704 4.824 4.120 -0.000 0.000 0.304 376 V C 0.632 176.728 176.094 0.004 0.000 1.054 376 V CA -0.084 62.220 62.300 0.006 0.000 0.882 376 V CB 1.387 33.214 31.823 0.007 0.000 1.002 376 V HN 2.017 nan 8.190 nan 0.000 0.424 377 A N 4.362 127.183 122.820 0.003 0.000 2.331 377 A HA 0.756 5.076 4.320 -0.000 0.000 0.283 377 A C -0.478 177.107 177.584 0.001 0.000 1.142 377 A CA -0.324 51.714 52.037 0.002 0.000 0.812 377 A CB 0.841 19.842 19.000 0.001 0.000 1.074 377 A HN 0.779 nan 8.150 nan 0.000 0.497 378 V N 4.620 124.535 119.914 0.001 0.000 2.378 378 V HA 0.274 4.394 4.120 -0.000 0.000 0.288 378 V C -0.179 175.915 176.094 0.001 0.000 1.016 378 V CA -0.117 62.183 62.300 0.000 0.000 0.840 378 V CB 1.063 32.886 31.823 -0.001 0.000 0.994 378 V HN 0.744 nan 8.190 nan 0.000 0.431 379 I N 5.377 125.948 120.570 0.002 0.000 2.312 379 I HA 0.329 4.499 4.170 -0.000 0.000 0.291 379 I C 0.364 176.482 176.117 0.001 0.000 1.031 379 I CA -0.196 61.106 61.300 0.002 0.000 1.293 379 I CB 0.809 38.811 38.000 0.004 0.000 1.403 379 I HN 0.469 nan 8.210 nan 0.000 0.484 380 K N 6.071 126.471 120.400 0.000 0.000 2.263 380 K HA 0.421 4.741 4.320 -0.000 0.000 0.272 380 K C -0.882 175.718 176.600 -0.000 0.000 1.033 380 K CA -0.638 55.649 56.287 -0.001 0.000 0.884 380 K CB 1.915 34.414 32.500 -0.002 0.000 1.107 380 K HN 0.316 nan 8.250 nan 0.000 0.460 381 V N 3.039 122.953 119.914 -0.000 0.000 2.427 381 V HA 0.170 4.290 4.120 -0.000 0.000 0.268 381 V C 0.843 176.936 176.094 -0.001 0.000 1.046 381 V CA -0.568 61.732 62.300 0.000 0.000 0.970 381 V CB 0.900 32.723 31.823 0.001 0.000 1.001 381 V HN 0.876 nan 8.190 nan 0.000 0.476 382 G N 3.485 112.284 108.800 -0.001 0.000 2.448 382 G HA2 0.736 4.696 3.960 -0.000 0.000 0.285 382 G HA3 0.736 4.696 3.960 -0.000 0.000 0.285 382 G C -0.317 174.582 174.900 -0.001 0.000 1.176 382 G CA 0.312 45.411 45.100 -0.001 0.000 0.852 382 G HN 1.211 nan 8.290 nan 0.000 0.530 383 A N -0.198 122.621 122.820 -0.002 0.000 2.564 383 A HA 0.780 5.100 4.320 -0.000 0.000 0.291 383 A C 0.713 178.296 177.584 -0.002 0.000 1.102 383 A CA 0.353 52.389 52.037 -0.002 0.000 0.660 383 A CB 0.490 19.489 19.000 -0.002 0.000 1.283 383 A HN 1.738 nan 8.150 nan 0.000 0.430 384 A N -0.530 122.289 122.820 -0.002 0.000 1.935 384 A HA 0.458 4.778 4.320 -0.000 0.000 0.214 384 A C 1.204 178.787 177.584 -0.002 0.000 1.178 384 A CA 2.208 54.244 52.037 -0.002 0.000 0.640 384 A CB -0.473 18.526 19.000 -0.002 0.000 0.825 384 A HN 2.042 nan 8.150 nan 0.000 0.447 385 T N -4.405 110.148 114.554 -0.002 0.000 2.901 385 T HA 0.470 4.820 4.350 -0.000 0.000 0.293 385 T C 0.462 175.161 174.700 -0.002 0.000 1.084 385 T CA 0.064 62.163 62.100 -0.002 0.000 1.008 385 T CB 1.885 70.752 68.868 -0.002 0.000 1.170 385 T HN 0.233 nan 8.240 nan 0.000 0.509 386 E N 0.155 120.354 120.200 -0.003 0.000 2.097 386 E HA -0.174 4.176 4.350 -0.000 0.000 0.196 386 E C 1.827 178.425 176.600 -0.003 0.000 1.000 386 E CA 1.758 58.157 56.400 -0.003 0.000 0.804 386 E CB -0.267 29.431 29.700 -0.003 0.000 0.740 386 E HN 0.551 nan 8.360 nan 0.000 0.454 387 V N 0.800 120.713 119.914 -0.003 0.000 2.295 387 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 387 V C 2.132 178.224 176.094 -0.003 0.000 1.049 387 V CA 2.220 64.518 62.300 -0.003 0.000 1.024 387 V CB -0.589 31.232 31.823 -0.003 0.000 0.648 387 V HN 0.259 nan 8.190 nan 0.000 0.447 388 E N -0.713 119.485 120.200 -0.003 0.000 2.204 388 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 388 E C 2.124 178.722 176.600 -0.002 0.000 0.989 388 E CA 0.973 57.372 56.400 -0.003 0.000 0.824 388 E CB -0.095 29.604 29.700 -0.002 0.000 0.756 388 E HN 0.457 nan 8.360 nan 0.000 0.477 389 M N 0.472 120.070 119.600 -0.002 0.000 2.216 389 M HA -0.103 4.377 4.480 -0.000 0.000 0.264 389 M C 1.504 177.802 176.300 -0.002 0.000 1.080 389 M CA 1.172 56.471 55.300 -0.002 0.000 1.153 389 M CB 0.074 32.673 32.600 -0.002 0.000 1.356 389 M HN -0.120 nan 8.290 nan 0.000 0.432 390 K N 0.662 121.061 120.400 -0.003 0.000 2.063 390 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 390 K C 1.826 178.424 176.600 -0.003 0.000 1.048 390 K CA 1.512 57.797 56.287 -0.003 0.000 0.928 390 K CB -0.809 31.689 32.500 -0.003 0.000 0.713 390 K HN 0.550 nan 8.250 nan 0.000 0.442 391 E N 1.149 121.347 120.200 -0.003 0.000 2.031 391 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 391 E C 2.113 178.711 176.600 -0.003 0.000 0.994 391 E CA 1.179 57.577 56.400 -0.004 0.000 0.800 391 E CB 0.076 29.774 29.700 -0.004 0.000 0.752 391 E HN 0.200 nan 8.360 nan 0.000 0.447 392 K N 0.970 121.369 120.400 -0.002 0.000 2.148 392 K HA -0.180 4.140 4.320 -0.000 0.000 0.204 392 K C 2.257 178.857 176.600 0.000 0.000 1.050 392 K CA 1.184 57.470 56.287 -0.001 0.000 0.942 392 K CB -0.051 32.449 32.500 -0.001 0.000 0.724 392 K HN -0.057 nan 8.250 nan 0.000 0.446 393 K N 0.330 120.730 120.400 -0.000 0.000 2.032 393 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 393 K C 1.940 178.540 176.600 0.001 0.000 1.048 393 K CA 1.421 57.708 56.287 0.001 0.000 0.927 393 K CB -0.198 32.302 32.500 -0.000 0.000 0.712 393 K HN 0.206 nan 8.250 nan 0.000 0.441 394 A N 1.292 124.111 122.820 -0.002 0.000 1.902 394 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 394 A C 2.138 179.720 177.584 -0.002 0.000 1.181 394 A CA 1.349 53.384 52.037 -0.004 0.000 0.623 394 A CB -0.465 18.531 19.000 -0.008 0.000 0.818 394 A HN 0.326 nan 8.150 nan 0.000 0.443 395 R N -0.697 119.803 120.500 -0.001 0.000 2.081 395 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 395 R C 2.080 178.385 176.300 0.008 0.000 1.131 395 R CA 1.546 57.647 56.100 0.002 0.000 0.960 395 R CB -0.439 29.861 30.300 0.001 0.000 0.856 395 R HN 0.402 nan 8.270 nan 0.000 0.436 396 V N 0.992 120.911 119.914 0.008 0.000 2.295 396 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 396 V C 1.970 178.077 176.094 0.021 0.000 1.049 396 V CA 1.854 64.162 62.300 0.013 0.000 1.024 396 V CB -0.467 31.362 31.823 0.009 0.000 0.648 396 V HN 0.371 nan 8.190 nan 0.000 0.447 397 E N -0.048 120.163 120.200 0.019 0.000 2.065 397 E HA -0.278 4.072 4.350 -0.000 0.000 0.201 397 E C 2.043 178.671 176.600 0.047 0.000 1.016 397 E CA 1.794 58.212 56.400 0.029 0.000 0.818 397 E CB -0.199 29.509 29.700 0.014 0.000 0.749 397 E HN 0.595 nan 8.360 nan 0.000 0.453 398 D N -0.255 120.161 120.400 0.025 0.000 2.117 398 D HA -0.092 4.548 4.640 -0.000 0.000 0.198 398 D C 1.885 178.224 176.300 0.065 0.000 0.982 398 D CA 1.154 55.171 54.000 0.028 0.000 0.828 398 D CB -0.218 40.582 40.800 -0.000 0.000 0.967 398 D HN 0.166 nan 8.370 nan 0.000 0.464 399 A N 0.985 123.832 122.820 0.044 0.000 1.908 399 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 399 A C 2.187 179.802 177.584 0.051 0.000 1.181 399 A CA 1.097 53.158 52.037 0.040 0.000 0.627 399 A CB -0.710 18.304 19.000 0.023 0.000 0.818 399 A HN 0.257 nan 8.150 nan 0.000 0.445 400 L N -0.959 120.297 121.223 0.055 0.000 2.056 400 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 400 L C 2.385 179.292 176.870 0.062 0.000 1.078 400 L CA 2.619 57.487 54.840 0.047 0.000 0.749 400 L CB -0.774 41.310 42.059 0.041 0.000 0.901 400 L HN 0.618 nan 8.230 nan 0.000 0.433 401 H N -0.298 118.772 119.070 -0.000 0.000 2.353 401 H HA -0.109 4.447 4.556 -0.000 0.000 0.300 401 H C 1.947 177.276 175.328 0.002 0.000 1.090 401 H CA 1.619 57.667 56.048 0.000 0.000 1.327 401 H CB 0.191 29.953 29.762 -0.000 0.000 1.383 401 H HN 0.486 nan 8.280 nan 0.000 0.508 402 A N -0.031 122.881 122.820 0.153 0.000 1.902 402 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 402 A C 2.648 180.241 177.584 0.014 0.000 1.181 402 A CA 2.034 54.123 52.037 0.087 0.000 0.623 402 A CB -0.944 18.105 19.000 0.082 0.000 0.818 402 A HN 0.510 nan 8.150 nan 0.000 0.443 403 T N -0.673 113.887 114.554 0.010 0.000 2.777 403 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 403 T C 2.160 176.844 174.700 -0.027 0.000 1.040 403 T CA 1.257 63.354 62.100 -0.005 0.000 1.141 403 T CB -0.243 68.626 68.868 0.002 0.000 0.868 403 T HN 0.301 nan 8.240 nan 0.000 0.444 404 R N 1.731 122.198 120.500 -0.054 0.000 2.083 404 R HA 0.022 4.362 4.340 -0.000 0.000 0.237 404 R C 2.552 178.800 176.300 -0.087 0.000 1.137 404 R CA 1.979 58.030 56.100 -0.081 0.000 0.951 404 R CB -1.229 28.991 30.300 -0.134 0.000 0.851 404 R HN 0.424 nan 8.270 nan 0.000 0.434 405 A N 0.312 123.065 122.820 -0.112 0.000 1.883 405 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 405 A C 2.396 179.960 177.584 -0.033 0.000 1.186 405 A CA 2.221 54.211 52.037 -0.079 0.000 0.624 405 A CB -0.906 18.054 19.000 -0.066 0.000 0.822 405 A HN 0.441 nan 8.150 nan 0.000 0.444 406 A N -0.719 122.089 122.820 -0.020 0.000 1.908 406 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 406 A C 2.235 179.813 177.584 -0.010 0.000 1.181 406 A CA 1.844 53.876 52.037 -0.008 0.000 0.627 406 A CB -0.964 18.035 19.000 -0.002 0.000 0.818 406 A HN 0.416 nan 8.150 nan 0.000 0.445 407 V N 0.148 120.052 119.914 -0.016 0.000 2.407 407 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 407 V C 2.405 178.491 176.094 -0.013 0.000 1.055 407 V CA 2.326 64.618 62.300 -0.014 0.000 1.049 407 V CB -0.763 31.050 31.823 -0.017 0.000 0.662 407 V HN 0.671 nan 8.190 nan 0.000 0.455 408 E N -0.312 119.877 120.200 -0.018 0.000 2.072 408 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 408 E C 1.566 178.161 176.600 -0.007 0.000 0.985 408 E CA 1.335 57.727 56.400 -0.014 0.000 0.801 408 E CB 0.016 29.704 29.700 -0.019 0.000 0.750 408 E HN 0.652 nan 8.360 nan 0.000 0.452 409 E N -0.801 119.395 120.200 -0.006 0.000 2.743 409 E HA 0.206 4.556 4.350 -0.000 0.000 0.222 409 E C 0.211 176.812 176.600 0.001 0.000 0.959 409 E CA 0.107 56.507 56.400 -0.001 0.000 1.198 409 E CB 1.618 31.318 29.700 0.000 0.000 1.100 409 E HN 0.221 nan 8.360 nan 0.000 0.518 410 G N 1.382 110.182 108.800 0.001 0.000 2.741 410 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.222 410 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.222 410 G C -0.147 174.757 174.900 0.006 0.000 1.364 410 G CA -0.362 44.740 45.100 0.003 0.000 0.866 410 G HN 0.471 nan 8.290 nan 0.000 0.555 411 V N -2.647 117.272 119.914 0.009 0.000 3.046 411 V HA 0.980 5.100 4.120 -0.000 0.000 0.316 411 V C 0.667 176.769 176.094 0.013 0.000 1.104 411 V CA 0.043 62.349 62.300 0.011 0.000 1.006 411 V CB 1.309 33.138 31.823 0.011 0.000 1.058 411 V HN 2.431 nan 8.190 nan 0.000 0.440 412 V N -1.246 118.677 119.914 0.016 0.000 3.160 412 V HA 1.011 5.131 4.120 -0.000 0.000 0.310 412 V C 0.412 176.518 176.094 0.019 0.000 1.181 412 V CA -0.672 61.639 62.300 0.018 0.000 1.047 412 V CB 1.190 33.025 31.823 0.019 0.000 1.068 412 V HN 2.022 nan 8.190 nan 0.000 0.441 413 A N 0.780 123.613 122.820 0.022 0.000 2.531 413 A HA 0.659 4.979 4.320 -0.000 0.000 0.236 413 A C 0.802 178.398 177.584 0.019 0.000 1.062 413 A CA 0.708 52.758 52.037 0.022 0.000 0.760 413 A CB -0.375 18.643 19.000 0.029 0.000 0.995 413 A HN 2.028 nan 8.150 nan 0.000 0.501 414 G N -0.410 108.398 108.800 0.013 0.000 2.583 414 G HA2 0.557 4.517 3.960 -0.000 0.000 0.280 414 G HA3 0.557 4.517 3.960 -0.000 0.000 0.280 414 G C 1.017 175.925 174.900 0.013 0.000 1.376 414 G CA -0.152 44.955 45.100 0.012 0.000 1.043 414 G HN 2.247 nan 8.290 nan 0.000 0.538 415 G N -2.057 106.751 108.800 0.013 0.000 2.179 415 G HA2 0.220 4.179 3.960 -0.000 0.000 0.257 415 G HA3 0.220 4.179 3.960 -0.000 0.000 0.257 415 G C 1.481 176.400 174.900 0.031 0.000 1.010 415 G CA 1.179 46.293 45.100 0.022 0.000 0.736 415 G HN 2.505 nan 8.290 nan 0.000 0.513 416 G N -2.401 106.415 108.800 0.027 0.000 2.168 416 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.263 416 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.263 416 G C 1.862 176.781 174.900 0.032 0.000 0.977 416 G CA 1.838 46.955 45.100 0.028 0.000 0.659 416 G HN 2.188 nan 8.290 nan 0.000 0.533 417 V N -0.638 119.297 119.914 0.034 0.000 2.453 417 V HA 0.323 4.443 4.120 -0.000 0.000 0.247 417 V C 2.798 178.916 176.094 0.040 0.000 1.048 417 V CA 2.257 64.582 62.300 0.042 0.000 1.049 417 V CB -0.523 31.329 31.823 0.047 0.000 0.672 417 V HN 1.401 nan 8.190 nan 0.000 0.457 418 A N 0.617 123.457 122.820 0.033 0.000 1.883 418 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 418 A C 2.223 179.824 177.584 0.028 0.000 1.186 418 A CA 2.353 54.408 52.037 0.030 0.000 0.624 418 A CB -0.818 18.197 19.000 0.025 0.000 0.822 418 A HN 0.613 nan 8.150 nan 0.000 0.444 419 L N -0.962 120.276 121.223 0.026 0.000 2.201 419 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 419 L C 2.426 179.311 176.870 0.025 0.000 1.105 419 L CA 0.817 55.670 54.840 0.022 0.000 0.775 419 L CB -0.322 41.749 42.059 0.021 0.000 0.913 419 L HN 0.400 nan 8.230 nan 0.000 0.440 420 I N -0.887 119.702 120.570 0.031 0.000 2.353 420 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 420 I C 2.591 178.730 176.117 0.036 0.000 1.119 420 I CA 0.680 62.000 61.300 0.034 0.000 1.417 420 I CB -0.061 37.964 38.000 0.042 0.000 1.078 420 I HN 0.207 nan 8.210 nan 0.000 0.421 421 R N 0.010 120.534 120.500 0.039 0.000 2.115 421 R HA -0.026 4.314 4.340 -0.000 0.000 0.226 421 R C 2.170 178.487 176.300 0.028 0.000 1.100 421 R CA 0.895 57.018 56.100 0.039 0.000 0.980 421 R CB -0.826 29.500 30.300 0.043 0.000 0.875 421 R HN 0.242 nan 8.270 nan 0.000 0.445 422 V N 1.255 121.183 119.914 0.024 0.000 2.358 422 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 422 V C 2.521 178.624 176.094 0.015 0.000 1.047 422 V CA 1.817 64.127 62.300 0.017 0.000 1.035 422 V CB -0.847 30.984 31.823 0.015 0.000 0.658 422 V HN 0.284 nan 8.190 nan 0.000 0.452 423 A N 0.821 123.651 122.820 0.017 0.000 1.883 423 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 423 A C 2.539 180.132 177.584 0.014 0.000 1.186 423 A CA 2.583 54.629 52.037 0.015 0.000 0.624 423 A CB -0.860 18.149 19.000 0.016 0.000 0.822 423 A HN 0.702 nan 8.150 nan 0.000 0.444 424 S N -0.593 115.118 115.700 0.018 0.000 2.453 424 S HA -0.069 4.401 4.470 -0.000 0.000 0.231 424 S C 1.674 176.282 174.600 0.013 0.000 1.005 424 S CA 1.303 59.513 58.200 0.016 0.000 0.949 424 S CB -0.274 62.939 63.200 0.021 0.000 0.774 424 S HN 0.584 nan 8.310 nan 0.000 0.510 425 K N 0.740 121.148 120.400 0.014 0.000 2.365 425 K HA 0.233 4.553 4.320 -0.000 0.000 0.199 425 K C 1.048 177.653 176.600 0.008 0.000 1.045 425 K CA 0.634 56.928 56.287 0.011 0.000 0.962 425 K CB -0.196 32.311 32.500 0.011 0.000 0.759 425 K HN 0.436 nan 8.250 nan 0.000 0.469 426 L N -0.010 121.218 121.223 0.008 0.000 2.685 426 L HA 0.199 4.539 4.340 -0.000 0.000 0.233 426 L C 1.762 178.635 176.870 0.005 0.000 1.173 426 L CA -0.233 54.611 54.840 0.006 0.000 0.961 426 L CB -0.146 41.916 42.059 0.005 0.000 1.217 426 L HN 0.068 nan 8.230 nan 0.000 0.478 427 A N 0.104 122.928 122.820 0.006 0.000 2.076 427 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 427 A C 1.553 179.139 177.584 0.004 0.000 1.160 427 A CA 1.646 53.686 52.037 0.005 0.000 0.653 427 A CB -0.205 18.798 19.000 0.005 0.000 0.801 427 A HN 0.357 nan 8.150 nan 0.000 0.455 428 D N -1.275 119.127 120.400 0.003 0.000 2.369 428 D HA 0.175 4.815 4.640 -0.000 0.000 0.211 428 D C 0.147 176.449 176.300 0.002 0.000 1.077 428 D CA -0.266 53.735 54.000 0.002 0.000 0.842 428 D CB -0.011 40.790 40.800 0.002 0.000 0.947 428 D HN 0.340 nan 8.370 nan 0.000 0.509 429 L N 1.750 122.975 121.223 0.002 0.000 2.453 429 L HA 0.131 4.471 4.340 -0.000 0.000 0.272 429 L C 0.013 176.884 176.870 0.001 0.000 1.182 429 L CA 0.597 55.438 54.840 0.002 0.000 0.858 429 L CB 0.174 42.234 42.059 0.002 0.000 1.120 429 L HN -0.227 nan 8.230 nan 0.000 0.474 430 R N 3.066 123.567 120.500 0.001 0.000 2.771 430 R HA 0.678 5.018 4.340 -0.000 0.000 0.274 430 R C -0.189 176.111 176.300 0.000 0.000 0.987 430 R CA -0.279 55.822 56.100 0.001 0.000 0.908 430 R CB 1.560 31.860 30.300 0.001 0.000 1.213 430 R HN 0.825 nan 8.270 nan 0.000 0.468 431 G N -0.173 108.627 108.800 0.001 0.000 3.008 431 G HA2 0.217 4.177 3.960 -0.000 0.000 0.181 431 G HA3 0.217 4.177 3.960 -0.000 0.000 0.181 431 G C 0.004 174.904 174.900 0.001 0.000 1.309 431 G CA -0.190 44.910 45.100 0.000 0.000 1.009 431 G HN 0.411 nan 8.290 nan 0.000 0.584 432 Q N -0.416 119.385 119.800 0.001 0.000 2.402 432 Q HA 0.163 4.503 4.340 -0.000 0.000 0.206 432 Q C -0.046 175.954 176.000 0.001 0.000 0.919 432 Q CA 0.595 56.399 55.803 0.001 0.000 0.923 432 Q CB 0.223 28.961 28.738 0.001 0.000 1.048 432 Q HN 0.608 nan 8.270 nan 0.000 0.515 433 N N -2.862 115.838 118.700 0.001 0.000 3.106 433 N HA 0.193 4.933 4.740 -0.000 0.000 0.253 433 N C 0.243 175.754 175.510 0.002 0.000 1.506 433 N CA 0.092 53.143 53.050 0.001 0.000 0.876 433 N CB 0.118 38.606 38.487 0.002 0.000 1.452 433 N HN -0.161 nan 8.380 nan 0.000 0.542 434 E N -0.338 119.863 120.200 0.002 0.000 2.110 434 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 434 E C 0.848 177.449 176.600 0.002 0.000 0.988 434 E CA 1.991 58.392 56.400 0.002 0.000 0.804 434 E CB -1.054 28.646 29.700 0.001 0.000 0.745 434 E HN 0.648 nan 8.360 nan 0.000 0.458 435 D N 0.055 120.456 120.400 0.002 0.000 2.144 435 D HA -0.114 4.526 4.640 -0.000 0.000 0.200 435 D C 2.172 178.473 176.300 0.003 0.000 0.978 435 D CA 1.244 55.246 54.000 0.003 0.000 0.833 435 D CB -0.308 40.494 40.800 0.004 0.000 0.961 435 D HN 0.579 nan 8.370 nan 0.000 0.470 436 Q N 0.219 120.021 119.800 0.003 0.000 2.124 436 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 436 Q C 1.784 177.785 176.000 0.002 0.000 0.977 436 Q CA 0.821 56.626 55.803 0.002 0.000 0.850 436 Q CB -0.029 28.710 28.738 0.002 0.000 0.901 436 Q HN 0.251 nan 8.270 nan 0.000 0.429 437 N N 0.050 118.751 118.700 0.002 0.000 2.120 437 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 437 N C 1.856 177.367 175.510 0.003 0.000 1.024 437 N CA 0.997 54.048 53.050 0.002 0.000 0.852 437 N CB -0.344 38.144 38.487 0.002 0.000 1.003 437 N HN 0.051 nan 8.380 nan 0.000 0.424 438 V N 0.929 120.845 119.914 0.003 0.000 2.343 438 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 438 V C 2.453 178.549 176.094 0.004 0.000 1.051 438 V CA 1.981 64.283 62.300 0.003 0.000 1.036 438 V CB -1.268 30.557 31.823 0.003 0.000 0.654 438 V HN 0.341 nan 8.190 nan 0.000 0.451 439 G N -0.050 108.752 108.800 0.004 0.000 2.440 439 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 439 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 439 G C 1.591 176.493 174.900 0.003 0.000 1.154 439 G CA 1.157 46.259 45.100 0.004 0.000 0.767 439 G HN 0.494 nan 8.290 nan 0.000 0.552 440 I N 0.233 120.804 120.570 0.003 0.000 2.226 440 I HA -0.133 4.037 4.170 -0.000 0.000 0.245 440 I C 2.675 178.794 176.117 0.004 0.000 1.100 440 I CA 1.018 62.320 61.300 0.003 0.000 1.374 440 I CB -0.012 37.990 38.000 0.002 0.000 1.057 440 I HN -0.012 nan 8.210 nan 0.000 0.413 441 K N 0.335 120.737 120.400 0.004 0.000 2.103 441 K HA -0.027 4.293 4.320 -0.000 0.000 0.204 441 K C 2.151 178.754 176.600 0.005 0.000 1.052 441 K CA 0.891 57.181 56.287 0.004 0.000 0.945 441 K CB -0.707 31.796 32.500 0.004 0.000 0.722 441 K HN 0.176 nan 8.250 nan 0.000 0.443 442 V N 1.835 121.753 119.914 0.005 0.000 2.252 442 V HA -0.303 3.817 4.120 -0.000 0.000 0.249 442 V C 2.455 178.553 176.094 0.007 0.000 1.056 442 V CA 2.265 64.569 62.300 0.006 0.000 1.022 442 V CB -0.798 31.029 31.823 0.006 0.000 0.641 442 V HN 0.322 nan 8.190 nan 0.000 0.445 443 A N -0.591 122.232 122.820 0.006 0.000 1.898 443 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 443 A C 2.170 179.758 177.584 0.007 0.000 1.181 443 A CA 1.621 53.662 52.037 0.006 0.000 0.620 443 A CB -0.499 18.503 19.000 0.004 0.000 0.819 443 A HN 0.520 nan 8.150 nan 0.000 0.442 444 L N -1.241 119.986 121.223 0.007 0.000 2.083 444 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 444 L C 2.798 179.674 176.870 0.009 0.000 1.083 444 L CA 1.755 56.600 54.840 0.008 0.000 0.752 444 L CB -0.509 41.554 42.059 0.007 0.000 0.899 444 L HN 0.419 nan 8.230 nan 0.000 0.433 445 R N 0.223 120.728 120.500 0.008 0.000 2.073 445 R HA -0.099 4.241 4.340 -0.000 0.000 0.229 445 R C 2.419 178.725 176.300 0.009 0.000 1.120 445 R CA 1.188 57.293 56.100 0.008 0.000 0.967 445 R CB -0.202 30.102 30.300 0.007 0.000 0.862 445 R HN 0.324 nan 8.270 nan 0.000 0.436 446 A N 0.630 123.456 122.820 0.009 0.000 1.978 446 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 446 A C 2.074 179.665 177.584 0.012 0.000 1.170 446 A CA 1.460 53.504 52.037 0.011 0.000 0.636 446 A CB -0.416 18.591 19.000 0.012 0.000 0.810 446 A HN 0.338 nan 8.150 nan 0.000 0.448 447 M N -0.670 118.937 119.600 0.012 0.000 2.460 447 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 447 M C 1.492 177.802 176.300 0.016 0.000 1.071 447 M CA 1.119 56.428 55.300 0.014 0.000 1.096 447 M CB -0.225 32.384 32.600 0.014 0.000 1.408 447 M HN 0.488 nan 8.290 nan 0.000 0.463 448 E N 0.143 120.352 120.200 0.014 0.000 2.371 448 E HA -0.001 4.349 4.350 -0.000 0.000 0.194 448 E C 2.053 178.660 176.600 0.011 0.000 1.012 448 E CA 0.529 56.937 56.400 0.014 0.000 0.860 448 E CB 0.002 29.709 29.700 0.011 0.000 0.811 448 E HN 0.482 nan 8.360 nan 0.000 0.502 449 A N 2.524 125.350 122.820 0.011 0.000 1.892 449 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 449 A C -0.255 177.335 177.584 0.010 0.000 1.188 449 A CA 1.391 53.433 52.037 0.009 0.000 0.631 449 A CB -1.392 17.614 19.000 0.010 0.000 0.822 449 A HN 0.147 nan 8.150 nan 0.000 0.447 450 P HA -0.124 nan 4.420 nan 0.000 0.215 450 P C 1.789 179.098 177.300 0.014 0.000 1.157 450 P CA 0.820 63.929 63.100 0.015 0.000 0.863 450 P CB -0.139 31.572 31.700 0.019 0.000 0.787 451 L N -0.732 120.501 121.223 0.016 0.000 2.081 451 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 451 L C 2.425 179.294 176.870 -0.001 0.000 1.080 451 L CA 1.772 56.621 54.840 0.015 0.000 0.754 451 L CB -0.214 41.855 42.059 0.017 0.000 0.893 451 L HN -0.167 nan 8.230 nan 0.000 0.433 452 R N -1.184 119.313 120.500 -0.005 0.000 2.148 452 R HA -0.162 4.178 4.340 -0.000 0.000 0.223 452 R C 2.232 178.523 176.300 -0.014 0.000 1.088 452 R CA 1.199 57.288 56.100 -0.018 0.000 0.985 452 R CB -0.060 30.233 30.300 -0.011 0.000 0.880 452 R HN 0.390 nan 8.270 nan 0.000 0.451 453 Q N 0.971 120.769 119.800 -0.002 0.000 2.096 453 Q HA -0.019 4.321 4.340 -0.000 0.000 0.197 453 Q C 1.760 177.763 176.000 0.006 0.000 0.964 453 Q CA 1.265 57.069 55.803 0.001 0.000 0.838 453 Q CB -0.040 28.700 28.738 0.005 0.000 0.906 453 Q HN 0.264 nan 8.270 nan 0.000 0.444 454 I N -0.435 120.143 120.570 0.013 0.000 2.185 454 I HA -0.320 3.850 4.170 -0.000 0.000 0.246 454 I C 1.942 178.079 176.117 0.034 0.000 1.088 454 I CA 1.128 62.444 61.300 0.026 0.000 1.347 454 I CB -0.211 37.812 38.000 0.039 0.000 1.041 454 I HN 0.107 nan 8.210 nan 0.000 0.415 455 V N 0.092 120.011 119.914 0.008 0.000 2.379 455 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 455 V C 2.271 178.356 176.094 -0.015 0.000 1.044 455 V CA 1.330 63.616 62.300 -0.024 0.000 1.036 455 V CB -0.411 31.325 31.823 -0.145 0.000 0.664 455 V HN 0.324 nan 8.190 nan 0.000 0.453 456 L N 0.959 122.172 121.223 -0.016 0.000 2.042 456 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 456 L C 2.204 179.075 176.870 0.002 0.000 1.076 456 L CA 1.966 56.801 54.840 -0.009 0.000 0.749 456 L CB -0.962 41.093 42.059 -0.008 0.000 0.893 456 L HN 0.320 nan 8.230 nan 0.000 0.432 457 N N -1.028 117.676 118.700 0.007 0.000 2.205 457 N HA -0.189 4.551 4.740 -0.000 0.000 0.186 457 N C 1.816 177.336 175.510 0.015 0.000 1.015 457 N CA 1.698 54.753 53.050 0.010 0.000 0.862 457 N CB -0.853 37.640 38.487 0.010 0.000 0.986 457 N HN 0.438 nan 8.380 nan 0.000 0.429 458 C N -0.728 118.589 119.300 0.028 0.000 2.437 458 C HA 0.164 4.624 4.460 -0.000 0.000 0.283 458 C C 1.797 176.804 174.990 0.028 0.000 1.424 458 C CA 0.586 59.628 59.018 0.040 0.000 1.782 458 C CB -1.245 26.551 27.740 0.093 0.000 1.833 458 C HN 0.657 nan 8.230 nan 0.000 0.532 459 G N 0.337 109.147 108.800 0.017 0.000 2.141 459 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.242 459 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.242 459 G C -0.150 174.756 174.900 0.010 0.000 0.982 459 G CA 0.264 45.370 45.100 0.011 0.000 0.662 459 G HN 0.491 nan 8.290 nan 0.000 0.527 460 E N 0.352 120.555 120.200 0.005 0.000 2.302 460 E HA 0.483 4.833 4.350 -0.000 0.000 0.255 460 E C 0.236 176.812 176.600 -0.041 0.000 1.099 460 E CA -0.635 55.756 56.400 -0.015 0.000 0.929 460 E CB 0.547 30.230 29.700 -0.028 0.000 1.203 460 E HN 0.526 nan 8.360 nan 0.000 0.459 461 E N 1.651 121.820 120.200 -0.053 0.000 2.089 461 E HA 0.146 4.496 4.350 -0.000 0.000 0.284 461 E C -1.710 174.848 176.600 -0.070 0.000 1.023 461 E CA -1.710 54.662 56.400 -0.046 0.000 0.819 461 E CB 1.072 30.756 29.700 -0.026 0.000 1.076 461 E HN 0.114 nan 8.360 nan 0.000 0.396 462 P HA -0.149 nan 4.420 nan 0.000 0.215 462 P C 1.185 178.455 177.300 -0.050 0.000 1.153 462 P CA 1.057 64.118 63.100 -0.064 0.000 0.853 462 P CB 0.347 32.024 31.700 -0.038 0.000 0.788 463 S N -0.708 114.973 115.700 -0.031 0.000 2.355 463 S HA -0.089 4.381 4.470 -0.000 0.000 0.222 463 S C 2.028 176.619 174.600 -0.015 0.000 1.031 463 S CA 1.107 59.296 58.200 -0.018 0.000 0.993 463 S CB -1.141 62.053 63.200 -0.010 0.000 0.859 463 S HN -0.078 nan 8.310 nan 0.000 0.453 464 V N 1.489 121.392 119.914 -0.017 0.000 2.287 464 V HA -0.162 3.957 4.120 -0.000 0.000 0.248 464 V C 2.302 178.401 176.094 0.007 0.000 1.053 464 V CA 1.637 63.936 62.300 -0.002 0.000 1.027 464 V CB -0.763 31.062 31.823 0.004 0.000 0.646 464 V HN 0.332 nan 8.190 nan 0.000 0.447 465 V N 0.181 120.069 119.914 -0.044 0.000 2.307 465 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 465 V C 2.713 178.813 176.094 0.011 0.000 1.045 465 V CA 1.989 64.255 62.300 -0.057 0.000 1.024 465 V CB -1.199 30.382 31.823 -0.403 0.000 0.651 465 V HN 0.554 nan 8.190 nan 0.000 0.449 466 A N 0.342 123.152 122.820 -0.017 0.000 1.908 466 A HA -0.309 4.011 4.320 -0.000 0.000 0.218 466 A C 2.059 179.664 177.584 0.034 0.000 1.181 466 A CA 2.446 54.490 52.037 0.013 0.000 0.627 466 A CB -0.918 18.082 19.000 0.001 0.000 0.818 466 A HN 0.619 nan 8.150 nan 0.000 0.445 467 N N -0.654 118.060 118.700 0.023 0.000 2.084 467 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 467 N C 1.701 177.232 175.510 0.034 0.000 1.030 467 N CA 2.274 55.338 53.050 0.023 0.000 0.849 467 N CB -0.361 38.132 38.487 0.010 0.000 1.012 467 N HN 0.416 nan 8.380 nan 0.000 0.423 468 T N -0.617 113.963 114.554 0.043 0.000 2.746 468 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 468 T C 1.937 176.723 174.700 0.144 0.000 1.039 468 T CA 1.251 63.364 62.100 0.022 0.000 1.142 468 T CB -0.387 68.428 68.868 -0.088 0.000 0.866 468 T HN 0.017 nan 8.240 nan 0.000 0.444 469 V N 1.465 121.499 119.914 0.199 0.000 2.358 469 V HA -0.114 4.006 4.120 -0.000 0.000 0.246 469 V C 2.422 178.638 176.094 0.205 0.000 1.047 469 V CA 1.416 63.872 62.300 0.260 0.000 1.035 469 V CB -0.449 31.477 31.823 0.173 0.000 0.658 469 V HN 0.458 nan 8.190 nan 0.000 0.452 470 K N 0.344 120.812 120.400 0.115 0.000 2.211 470 K HA -0.076 4.244 4.320 -0.000 0.000 0.203 470 K C 2.048 178.682 176.600 0.057 0.000 1.050 470 K CA 1.266 57.599 56.287 0.076 0.000 0.945 470 K CB -0.411 32.117 32.500 0.046 0.000 0.732 470 K HN 0.563 nan 8.250 nan 0.000 0.451 471 G N 0.850 109.678 108.800 0.047 0.000 2.650 471 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.214 471 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.214 471 G C 0.670 175.544 174.900 -0.042 0.000 1.136 471 G CA 0.375 45.474 45.100 -0.002 0.000 0.789 471 G HN 0.325 nan 8.290 nan 0.000 0.536 472 G N -0.263 108.537 108.800 0.000 0.000 2.606 472 G HA2 0.548 4.508 3.960 -0.000 0.000 0.262 472 G HA3 0.548 4.508 3.960 -0.000 0.000 0.262 472 G C -0.980 173.927 174.900 0.012 0.000 1.394 472 G CA -0.146 44.870 45.100 -0.139 0.000 1.044 472 G HN 0.305 nan 8.290 nan 0.000 0.553 473 D N -3.399 117.020 120.400 0.032 0.000 2.643 473 D HA 0.559 5.199 4.640 -0.000 0.000 0.283 473 D C 0.666 177.030 176.300 0.107 0.000 1.242 473 D CA 0.249 54.290 54.000 0.069 0.000 0.863 473 D CB 0.531 41.343 40.800 0.022 0.000 1.382 473 D HN 1.379 nan 8.370 nan 0.000 0.444 474 G N 0.462 109.311 108.800 0.081 0.000 2.611 474 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.301 474 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.301 474 G C 0.324 175.287 174.900 0.105 0.000 1.233 474 G CA 0.575 45.721 45.100 0.077 0.000 0.993 474 G HN 0.725 nan 8.290 nan 0.000 0.553 475 N N -0.087 118.678 118.700 0.108 0.000 2.370 475 N HA 0.245 4.985 4.740 -0.000 0.000 0.198 475 N C 0.329 175.930 175.510 0.152 0.000 1.156 475 N CA -0.018 53.094 53.050 0.104 0.000 0.839 475 N CB 0.168 38.700 38.487 0.075 0.000 0.989 475 N HN 0.473 nan 8.380 nan 0.000 0.468 476 Y N 1.432 121.765 120.300 0.055 0.000 2.526 476 Y HA 0.355 4.905 4.550 -0.000 0.000 0.330 476 Y C 0.758 176.728 175.900 0.117 0.000 1.156 476 Y CA 0.247 58.396 58.100 0.081 0.000 1.419 476 Y CB 0.149 38.648 38.460 0.065 0.000 1.250 476 Y HN 0.021 nan 8.280 nan 0.000 0.540 477 G N 3.894 112.458 108.800 -0.394 0.000 2.554 477 G HA2 0.245 4.205 3.960 -0.000 0.000 0.306 477 G HA3 0.245 4.205 3.960 -0.000 0.000 0.306 477 G C -2.505 172.300 174.900 -0.158 0.000 1.320 477 G CA -0.945 44.035 45.100 -0.200 0.000 0.800 477 G HN 0.498 nan 8.290 nan 0.000 0.481 478 Y N 1.572 121.742 120.300 -0.216 0.000 2.331 478 Y HA 0.565 5.115 4.550 0.000 0.000 0.338 478 Y C 0.036 175.787 175.900 -0.249 0.000 0.976 478 Y CA -1.393 56.496 58.100 -0.352 0.000 1.137 478 Y CB 1.441 39.692 38.460 -0.349 0.000 1.172 478 Y HN 0.423 nan 8.280 nan 0.000 0.478 479 N N 4.770 123.059 118.700 -0.685 0.000 2.415 479 N HA 0.154 4.894 4.740 -0.000 0.000 0.250 479 N C 0.425 175.501 175.510 -0.724 0.000 1.127 479 N CA 0.545 53.283 53.050 -0.519 0.000 0.945 479 N CB 1.234 39.503 38.487 -0.363 0.000 1.196 479 N HN 0.881 nan 8.380 nan 0.000 0.499 480 A N 3.546 126.112 122.820 -0.424 0.000 2.066 480 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 480 A C 1.990 179.463 177.584 -0.185 0.000 1.157 480 A CA 1.361 53.245 52.037 -0.256 0.000 0.670 480 A CB -0.319 18.678 19.000 -0.005 0.000 0.804 480 A HN 0.693 nan 8.150 nan 0.000 0.453 481 A N -0.237 122.481 122.820 -0.172 0.000 1.929 481 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 481 A C 2.264 179.765 177.584 -0.139 0.000 1.176 481 A CA 2.162 54.126 52.037 -0.121 0.000 0.628 481 A CB -0.842 18.103 19.000 -0.093 0.000 0.816 481 A HN 0.709 nan 8.150 nan 0.000 0.444 482 T N -3.348 111.087 114.554 -0.199 0.000 3.040 482 T HA 0.232 4.582 4.350 -0.000 0.000 0.250 482 T C 0.215 174.789 174.700 -0.209 0.000 1.058 482 T CA 0.526 62.525 62.100 -0.168 0.000 0.988 482 T CB -0.285 68.489 68.868 -0.156 0.000 0.993 482 T HN 0.549 nan 8.240 nan 0.000 0.519 483 E N 1.701 121.694 120.200 -0.346 0.000 2.269 483 E HA -0.152 4.198 4.350 -0.000 0.000 0.223 483 E C -0.732 175.603 176.600 -0.443 0.000 1.244 483 E CA 0.456 56.574 56.400 -0.469 0.000 0.713 483 E CB -0.896 28.736 29.700 -0.113 0.000 1.178 483 E HN 0.657 nan 8.360 nan 0.000 0.370 484 E N -0.157 119.702 120.200 -0.568 0.000 2.312 484 E HA 0.311 4.661 4.350 -0.000 0.000 0.267 484 E C -0.424 175.897 176.600 -0.464 0.000 0.894 484 E CA -0.817 55.392 56.400 -0.318 0.000 0.773 484 E CB 0.943 30.554 29.700 -0.149 0.000 1.241 484 E HN 0.072 nan 8.360 nan 0.000 0.432 485 Y N 0.167 120.437 120.300 -0.050 0.000 2.379 485 Y HA 0.483 5.033 4.550 0.000 0.000 0.337 485 Y C 1.316 177.155 175.900 -0.103 0.000 1.238 485 Y CA 0.846 58.882 58.100 -0.108 0.000 1.405 485 Y CB 1.031 39.481 38.460 -0.018 0.000 1.310 485 Y HN 0.656 nan 8.280 nan 0.000 0.569 486 G N 0.756 109.544 108.800 -0.021 0.000 2.325 486 G HA2 0.011 3.971 3.960 -0.000 0.000 0.295 486 G HA3 0.011 3.971 3.960 -0.000 0.000 0.295 486 G C -1.886 173.042 174.900 0.048 0.000 1.274 486 G CA -1.180 43.962 45.100 0.069 0.000 0.857 486 G HN 0.535 nan 8.290 nan 0.000 0.499 487 N N 0.926 119.679 118.700 0.087 0.000 2.411 487 N HA 0.122 4.862 4.740 -0.000 0.000 0.259 487 N C 1.543 177.069 175.510 0.026 0.000 1.103 487 N CA -0.515 52.585 53.050 0.082 0.000 0.954 487 N CB 0.913 39.450 38.487 0.084 0.000 1.085 487 N HN 0.338 nan 8.380 nan 0.000 0.485 488 M N 3.382 122.991 119.600 0.016 0.000 2.213 488 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 488 M C 1.416 177.718 176.300 0.003 0.000 1.062 488 M CA 0.868 56.164 55.300 -0.005 0.000 1.105 488 M CB -0.515 32.085 32.600 -0.001 0.000 1.385 488 M HN 0.535 nan 8.290 nan 0.000 0.417 489 I N 0.460 121.040 120.570 0.017 0.000 2.333 489 I HA -0.174 3.996 4.170 -0.000 0.000 0.246 489 I C 1.879 178.003 176.117 0.011 0.000 1.106 489 I CA 1.141 62.450 61.300 0.015 0.000 1.411 489 I CB -1.434 36.579 38.000 0.021 0.000 1.082 489 I HN 0.202 nan 8.210 nan 0.000 0.420 490 D N 0.401 120.811 120.400 0.016 0.000 2.178 490 D HA -0.111 4.529 4.640 -0.000 0.000 0.202 490 D C 2.126 178.427 176.300 0.002 0.000 0.974 490 D CA 1.027 55.034 54.000 0.012 0.000 0.841 490 D CB -0.102 40.710 40.800 0.019 0.000 0.953 490 D HN 0.313 nan 8.370 nan 0.000 0.478 491 M N -0.541 119.056 119.600 -0.006 0.000 2.618 491 M HA 0.135 4.615 4.480 -0.000 0.000 0.240 491 M C 0.978 177.266 176.300 -0.021 0.000 1.123 491 M CA 0.398 55.686 55.300 -0.020 0.000 1.060 491 M CB 0.439 33.016 32.600 -0.040 0.000 1.535 491 M HN 0.037 nan 8.290 nan 0.000 0.507 492 G N 2.043 110.836 108.800 -0.012 0.000 2.160 492 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.251 492 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.251 492 G C -0.002 174.890 174.900 -0.012 0.000 1.008 492 G CA -0.194 44.901 45.100 -0.010 0.000 0.724 492 G HN 0.549 nan 8.290 nan 0.000 0.514 493 I N 1.204 121.764 120.570 -0.016 0.000 2.316 493 I HA 0.419 4.589 4.170 -0.000 0.000 0.286 493 I C 0.533 176.648 176.117 -0.004 0.000 1.107 493 I CA -0.398 60.893 61.300 -0.015 0.000 1.219 493 I CB 0.326 38.308 38.000 -0.030 0.000 1.455 493 I HN -0.009 nan 8.210 nan 0.000 0.498 494 L N 4.355 125.579 121.223 0.002 0.000 2.342 494 L HA 0.644 4.984 4.340 -0.000 0.000 0.271 494 L C -0.857 176.020 176.870 0.012 0.000 1.008 494 L CA -0.881 53.964 54.840 0.009 0.000 0.818 494 L CB 1.989 44.054 42.059 0.009 0.000 1.296 494 L HN 0.324 nan 8.230 nan 0.000 0.427 495 D N 1.414 121.824 120.400 0.016 0.000 2.498 495 D HA 0.385 5.025 4.640 -0.000 0.000 0.247 495 D C -2.583 173.730 176.300 0.021 0.000 1.070 495 D CA -1.489 52.524 54.000 0.021 0.000 0.842 495 D CB 2.287 43.100 40.800 0.023 0.000 1.361 495 D HN 0.128 nan 8.370 nan 0.000 0.484 496 P HA 0.080 nan 4.420 nan 0.000 0.267 496 P C 0.842 178.155 177.300 0.021 0.000 1.209 496 P CA -0.022 63.090 63.100 0.020 0.000 0.763 496 P CB 0.611 32.325 31.700 0.023 0.000 0.816 497 T N 2.787 117.350 114.554 0.016 0.000 2.680 497 T HA -0.262 4.088 4.350 -0.000 0.000 0.268 497 T C 1.614 176.324 174.700 0.017 0.000 1.033 497 T CA 1.595 63.704 62.100 0.015 0.000 1.152 497 T CB -0.357 68.517 68.868 0.010 0.000 0.859 497 T HN 0.516 nan 8.240 nan 0.000 0.452 498 K N 0.718 121.128 120.400 0.016 0.000 2.103 498 K HA -0.123 4.197 4.320 -0.000 0.000 0.207 498 K C 2.423 179.047 176.600 0.039 0.000 1.048 498 K CA 1.585 57.885 56.287 0.021 0.000 0.930 498 K CB -0.384 32.124 32.500 0.014 0.000 0.716 498 K HN 0.339 nan 8.250 nan 0.000 0.444 499 V N 0.251 120.192 119.914 0.044 0.000 2.379 499 V HA -0.168 3.952 4.120 -0.000 0.000 0.245 499 V C 1.729 177.855 176.094 0.053 0.000 1.044 499 V CA 2.445 64.781 62.300 0.059 0.000 1.036 499 V CB -0.629 31.233 31.823 0.065 0.000 0.664 499 V HN 0.384 nan 8.190 nan 0.000 0.453 500 T N 0.427 115.004 114.554 0.039 0.000 2.746 500 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 500 T C 1.963 176.680 174.700 0.028 0.000 1.039 500 T CA 2.021 64.141 62.100 0.033 0.000 1.142 500 T CB -0.402 68.481 68.868 0.025 0.000 0.866 500 T HN 0.582 nan 8.240 nan 0.000 0.444 501 R N 0.924 121.436 120.500 0.020 0.000 2.080 501 R HA -0.112 4.228 4.340 -0.000 0.000 0.236 501 R C 2.614 178.912 176.300 -0.003 0.000 1.137 501 R CA 1.893 57.995 56.100 0.002 0.000 0.943 501 R CB -0.430 29.867 30.300 -0.004 0.000 0.846 501 R HN 0.248 nan 8.270 nan 0.000 0.431 502 S N 0.339 116.060 115.700 0.036 0.000 2.368 502 S HA -0.126 4.344 4.470 -0.000 0.000 0.225 502 S C 1.948 176.646 174.600 0.163 0.000 1.030 502 S CA 1.132 59.389 58.200 0.094 0.000 0.999 502 S CB -0.210 63.111 63.200 0.202 0.000 0.844 502 S HN 0.577 nan 8.310 nan 0.000 0.459 503 A N 1.495 124.387 122.820 0.121 0.000 1.858 503 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 503 A C 2.135 179.771 177.584 0.087 0.000 1.190 503 A CA 1.479 53.586 52.037 0.117 0.000 0.617 503 A CB -0.869 18.175 19.000 0.073 0.000 0.827 503 A HN 0.413 nan 8.150 nan 0.000 0.443 504 L N -0.131 121.117 121.223 0.042 0.000 2.042 504 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 504 L C 2.504 179.367 176.870 -0.012 0.000 1.076 504 L CA 2.408 57.258 54.840 0.017 0.000 0.749 504 L CB -0.696 41.365 42.059 0.002 0.000 0.893 504 L HN 0.523 nan 8.230 nan 0.000 0.432 505 Q N -2.092 117.664 119.800 -0.073 0.000 2.079 505 Q HA -0.194 4.146 4.340 -0.000 0.000 0.200 505 Q C 2.124 177.998 176.000 -0.211 0.000 0.974 505 Q CA 1.746 57.441 55.803 -0.179 0.000 0.840 505 Q CB -0.225 28.324 28.738 -0.315 0.000 0.898 505 Q HN 0.522 nan 8.270 nan 0.000 0.430 506 Y N 0.101 120.404 120.300 0.006 0.000 2.263 506 Y HA -0.104 4.446 4.550 -0.000 0.000 0.292 506 Y C 2.318 178.221 175.900 0.005 0.000 1.130 506 Y CA 0.820 58.923 58.100 0.005 0.000 1.179 506 Y CB -0.563 37.900 38.460 0.005 0.000 0.998 506 Y HN 0.121 nan 8.280 nan 0.000 0.532 507 A N 0.060 122.967 122.820 0.144 0.000 1.877 507 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 507 A C 2.460 180.077 177.584 0.054 0.000 1.186 507 A CA 2.020 54.107 52.037 0.083 0.000 0.620 507 A CB -1.212 17.823 19.000 0.059 0.000 0.822 507 A HN 0.376 nan 8.150 nan 0.000 0.443 508 A N -0.956 121.882 122.820 0.030 0.000 1.930 508 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 508 A C 2.471 180.065 177.584 0.016 0.000 1.175 508 A CA 2.068 54.112 52.037 0.013 0.000 0.627 508 A CB -0.862 18.133 19.000 -0.008 0.000 0.815 508 A HN 0.603 nan 8.150 nan 0.000 0.443 509 S N -0.531 115.181 115.700 0.020 0.000 2.348 509 S HA -0.123 4.347 4.470 -0.000 0.000 0.221 509 S C 1.903 176.533 174.600 0.050 0.000 1.033 509 S CA 1.772 59.989 58.200 0.030 0.000 1.010 509 S CB -0.472 62.754 63.200 0.043 0.000 0.891 509 S HN 0.276 nan 8.310 nan 0.000 0.442 510 V N 2.176 122.134 119.914 0.073 0.000 2.453 510 V HA -0.021 4.099 4.120 -0.000 0.000 0.247 510 V C 2.909 179.026 176.094 0.039 0.000 1.048 510 V CA 1.552 63.887 62.300 0.058 0.000 1.049 510 V CB -1.318 30.543 31.823 0.063 0.000 0.672 510 V HN 0.617 nan 8.190 nan 0.000 0.457 511 A N 0.645 123.487 122.820 0.036 0.000 1.933 511 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 511 A C 2.407 180.004 177.584 0.021 0.000 1.175 511 A CA 1.929 53.981 52.037 0.026 0.000 0.628 511 A CB -1.145 17.870 19.000 0.024 0.000 0.814 511 A HN 0.522 nan 8.150 nan 0.000 0.444 512 G N -0.080 108.732 108.800 0.020 0.000 2.418 512 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 512 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 512 G C 1.546 176.457 174.900 0.017 0.000 1.158 512 G CA 1.021 46.130 45.100 0.016 0.000 0.771 512 G HN 0.440 nan 8.290 nan 0.000 0.545 513 L N -0.133 121.102 121.223 0.021 0.000 2.012 513 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 513 L C 3.145 180.026 176.870 0.019 0.000 1.073 513 L CA 1.337 56.189 54.840 0.020 0.000 0.748 513 L CB -0.378 41.695 42.059 0.023 0.000 0.891 513 L HN 0.252 nan 8.230 nan 0.000 0.431 514 M N -0.772 118.840 119.600 0.020 0.000 2.156 514 M HA -0.162 4.318 4.480 -0.000 0.000 0.264 514 M C 2.325 178.636 176.300 0.018 0.000 1.067 514 M CA 1.671 56.983 55.300 0.019 0.000 1.131 514 M CB -0.368 32.245 32.600 0.020 0.000 1.368 514 M HN 0.195 nan 8.290 nan 0.000 0.416 515 I N 0.409 120.989 120.570 0.017 0.000 2.335 515 I HA -0.228 3.942 4.170 -0.000 0.000 0.251 515 I C 1.851 177.977 176.117 0.016 0.000 1.129 515 I CA 1.528 62.838 61.300 0.015 0.000 1.402 515 I CB -0.494 37.514 38.000 0.014 0.000 1.069 515 I HN 0.408 nan 8.210 nan 0.000 0.424 516 T N -3.509 111.055 114.554 0.017 0.000 3.186 516 T HA 0.144 4.494 4.350 -0.000 0.000 0.257 516 T C 0.593 175.305 174.700 0.020 0.000 1.029 516 T CA -0.264 61.847 62.100 0.018 0.000 0.916 516 T CB -0.370 68.508 68.868 0.016 0.000 1.041 516 T HN -0.055 nan 8.240 nan 0.000 0.562 517 T N 2.608 117.173 114.554 0.019 0.000 2.794 517 T HA 0.274 4.624 4.350 -0.000 0.000 0.296 517 T C 0.702 175.415 174.700 0.021 0.000 0.949 517 T CA -0.312 61.798 62.100 0.017 0.000 1.101 517 T CB 1.335 70.212 68.868 0.014 0.000 0.905 517 T HN 0.070 nan 8.240 nan 0.000 0.516 518 E N 0.768 120.983 120.200 0.025 0.000 2.413 518 E HA 0.188 4.538 4.350 -0.000 0.000 0.203 518 E C 0.098 176.710 176.600 0.021 0.000 0.957 518 E CA -0.002 56.429 56.400 0.051 0.000 0.950 518 E CB 0.450 30.203 29.700 0.089 0.000 0.957 518 E HN 0.620 nan 8.360 nan 0.000 0.497 519 C N 0.135 119.397 119.300 -0.064 0.000 2.985 519 C HA 0.733 5.193 4.460 -0.000 0.000 0.314 519 C C -1.450 173.452 174.990 -0.148 0.000 1.215 519 C CA -0.734 58.136 59.018 -0.247 0.000 1.414 519 C CB 0.390 27.892 27.740 -0.397 0.000 1.842 519 C HN 0.160 nan 8.230 nan 0.000 0.477 520 M N 4.581 124.101 119.600 -0.134 0.000 2.393 520 M HA 0.622 5.102 4.480 -0.000 0.000 0.299 520 M C -1.117 175.241 176.300 0.098 0.000 1.103 520 M CA -0.595 54.732 55.300 0.046 0.000 0.910 520 M CB 2.138 34.881 32.600 0.239 0.000 1.659 520 M HN 0.407 nan 8.290 nan 0.000 0.445 521 V N 1.058 120.987 119.914 0.025 0.000 2.540 521 V HA 0.799 4.919 4.120 -0.000 0.000 0.302 521 V C -0.348 175.675 176.094 -0.118 0.000 1.035 521 V CA -0.423 61.869 62.300 -0.014 0.000 0.873 521 V CB 1.944 33.747 31.823 -0.034 0.000 0.992 521 V HN 0.955 nan 8.190 nan 0.000 0.428 522 T N 1.772 116.209 114.554 -0.196 0.000 2.821 522 T HA 0.383 4.733 4.350 -0.000 0.000 0.306 522 T C -1.356 173.230 174.700 -0.190 0.000 1.313 522 T CA -0.569 61.358 62.100 -0.290 0.000 1.012 522 T CB 1.841 70.339 68.868 -0.617 0.000 1.298 522 T HN 0.660 nan 8.240 nan 0.000 0.502 523 D N 1.882 122.190 120.400 -0.154 0.000 2.423 523 D HA 0.257 4.896 4.640 -0.000 0.000 0.238 523 D C 0.113 176.360 176.300 -0.089 0.000 1.142 523 D CA -0.083 53.861 54.000 -0.094 0.000 0.884 523 D CB 0.363 41.118 40.800 -0.076 0.000 1.199 523 D HN 0.234 nan 8.370 nan 0.000 0.438 524 L N 3.576 124.776 121.223 -0.038 0.000 2.456 524 L HA 0.190 4.530 4.340 -0.000 0.000 0.272 524 L C -1.904 174.955 176.870 -0.018 0.000 1.189 524 L CA -1.499 53.336 54.840 -0.010 0.000 0.846 524 L CB -0.064 42.001 42.059 0.009 0.000 1.111 524 L HN 0.263 nan 8.230 nan 0.000 0.475 525 P HA 0.190 nan 4.420 nan 0.000 0.266 525 P C -0.815 176.483 177.300 -0.003 0.000 1.419 525 P CA 0.211 63.306 63.100 -0.008 0.000 1.112 525 P CB 0.204 31.909 31.700 0.008 0.000 1.438 526 K N 0.000 120.395 120.400 -0.009 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.285 56.287 -0.004 0.000 0.838 526 K CB 0.000 32.500 32.500 0.001 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543